smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001485750775 966632923 /nfs/dbraw/zinc/63/29/23/966632923.db2.gz ATQIFQDJSYFORA-GFCCVEGCSA-N 1 3 243.395 1.221 20 0 BDADHO CN1CCC12CN(CC1(C)CC[NH+](C)CC1)C2 ZINC001276453709 966950955 /nfs/dbraw/zinc/95/09/55/966950955.db2.gz MAOMZJGFGDDGNL-UHFFFAOYSA-N 1 3 237.391 1.108 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1CC1C[C@@H](C)O[C@H](C)C1 ZINC001205177141 967410542 /nfs/dbraw/zinc/41/05/42/967410542.db2.gz AIOMVYSEDCIMTE-PRULPYPASA-N 1 3 226.364 1.612 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCCC[C@H]1CO ZINC001207276555 968710827 /nfs/dbraw/zinc/71/08/27/968710827.db2.gz ZFQWMJHGGUNHTR-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCSCC1 ZINC001253404080 969160765 /nfs/dbraw/zinc/16/07/65/969160765.db2.gz PGXWFPHBRLMBEW-NSHDSACASA-N 1 3 246.420 1.221 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CCSCC1 ZINC001253404080 969160771 /nfs/dbraw/zinc/16/07/71/969160771.db2.gz PGXWFPHBRLMBEW-NSHDSACASA-N 1 3 246.420 1.221 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@@H]1CCCN(C)CC1 ZINC001254520571 969701700 /nfs/dbraw/zinc/70/17/00/969701700.db2.gz OGUCMWVPOMKTOC-BFHYXJOUSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@@H]1CCCN(C)CC1 ZINC001254520571 969701713 /nfs/dbraw/zinc/70/17/13/969701713.db2.gz OGUCMWVPOMKTOC-BFHYXJOUSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)CC2)[C@H](C)CO1 ZINC001254528516 969715009 /nfs/dbraw/zinc/71/50/09/969715009.db2.gz GKMDUCQIYIZRRB-JHJVBQTASA-N 1 3 226.364 1.580 20 0 BDADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)CC2)[C@H](C)CO1 ZINC001254528516 969715014 /nfs/dbraw/zinc/71/50/14/969715014.db2.gz GKMDUCQIYIZRRB-JHJVBQTASA-N 1 3 226.364 1.580 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](O)C1 ZINC001255941389 970570098 /nfs/dbraw/zinc/57/00/98/970570098.db2.gz PQFKIOHOKXQDBH-AVGNSLFASA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC1(C)COC1 ZINC001255939339 970570201 /nfs/dbraw/zinc/57/02/01/970570201.db2.gz BVLXDNPTYUMHSG-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H](O)C1CC1 ZINC001255949993 970584708 /nfs/dbraw/zinc/58/47/08/970584708.db2.gz DOQAPAAOPPONEM-DGCLKSJQSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC001255949993 970584714 /nfs/dbraw/zinc/58/47/14/970584714.db2.gz DOQAPAAOPPONEM-DGCLKSJQSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956480 970597292 /nfs/dbraw/zinc/59/72/92/970597292.db2.gz KHZRIUNIVUFSQQ-MJBXVCDLSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956480 970597302 /nfs/dbraw/zinc/59/73/02/970597302.db2.gz KHZRIUNIVUFSQQ-MJBXVCDLSA-N 1 3 242.407 1.810 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H](C)C[C@H]1CO ZINC001255956480 970597313 /nfs/dbraw/zinc/59/73/13/970597313.db2.gz KHZRIUNIVUFSQQ-MJBXVCDLSA-N 1 3 242.407 1.810 20 0 BDADHO CCCOC1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC001173093761 975018008 /nfs/dbraw/zinc/01/80/08/975018008.db2.gz AZNBMGRMNYZHJO-HIFPTAJRSA-N 1 3 228.380 1.909 20 0 BDADHO CC(C)OCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001277657381 978047219 /nfs/dbraw/zinc/04/72/19/978047219.db2.gz IPBARUMKODQKIK-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(CCCCCO)C[C@H]2C1 ZINC001236323212 979537277 /nfs/dbraw/zinc/53/72/77/979537277.db2.gz XSTMHBIIKQVQSX-OKILXGFUSA-N 1 3 240.391 1.423 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(CCCCCO)C[C@H]2C1 ZINC001236323212 979537284 /nfs/dbraw/zinc/53/72/84/979537284.db2.gz XSTMHBIIKQVQSX-OKILXGFUSA-N 1 3 240.391 1.423 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](CCCCCO)C[C@@H]2C1 ZINC001236323212 979537292 /nfs/dbraw/zinc/53/72/92/979537292.db2.gz XSTMHBIIKQVQSX-OKILXGFUSA-N 1 3 240.391 1.423 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](CCCCCO)C[C@@H]2C1 ZINC001236323212 979537300 /nfs/dbraw/zinc/53/73/00/979537300.db2.gz XSTMHBIIKQVQSX-OKILXGFUSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@]1(C[NH3+])CCCCN(C[C@@H]2CCCO2)C1 ZINC001206542139 979647925 /nfs/dbraw/zinc/64/79/25/979647925.db2.gz SETURLQEQVSHPP-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO CC[NH+]1C[C@H]2CN(CCCCCO)C[C@@H]2C1 ZINC001236950271 979795913 /nfs/dbraw/zinc/79/59/13/979795913.db2.gz KXQVLVSFHHIKDX-STQMWFEESA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](O)[C@H](C)C2)CCN1 ZINC001246571271 972851001 /nfs/dbraw/zinc/85/10/01/972851001.db2.gz ASHPNBXEESDEFI-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](O)[C@H](C)C2)CCN1 ZINC001246571271 972851003 /nfs/dbraw/zinc/85/10/03/972851003.db2.gz ASHPNBXEESDEFI-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO CCCC[C@@H](CC)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246641555 973062999 /nfs/dbraw/zinc/06/29/99/973062999.db2.gz JBAFKBNWPNZEED-KGLIPLIRSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246850796 973148166 /nfs/dbraw/zinc/14/81/66/973148166.db2.gz DCCKKQVYEUCXND-WZRBSPASSA-N 1 3 220.316 1.634 20 0 BDADHO C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246850796 973148176 /nfs/dbraw/zinc/14/81/76/973148176.db2.gz DCCKKQVYEUCXND-WZRBSPASSA-N 1 3 220.316 1.634 20 0 BDADHO CN(C)C1CN(C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256569123 970868660 /nfs/dbraw/zinc/86/86/60/970868660.db2.gz RTHOFJQIRIKXJD-UHFFFAOYSA-N 1 3 239.407 1.495 20 0 BDADHO [NH3+]C[C@@H]1CN(CC2CCOCC2)CCC1(F)F ZINC000403217077 970897756 /nfs/dbraw/zinc/89/77/56/970897756.db2.gz GWUWZQMOOXQEKH-LLVKDONJSA-N 1 3 248.317 1.329 20 0 BDADHO CC(C)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256675674 970911703 /nfs/dbraw/zinc/91/17/03/970911703.db2.gz HUXFTBZJQINDHK-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)(CN)[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256898564 971013570 /nfs/dbraw/zinc/01/35/70/971013570.db2.gz NGCZZZUCRJALAX-GFCCVEGCSA-N 1 3 239.407 1.720 20 0 BDADHO C[N@H+]([C@@H]1COC(C)(C)C1)C(C)(C)CN ZINC000307139384 971123821 /nfs/dbraw/zinc/12/38/21/971123821.db2.gz BAJRNABZUIIICK-VIFPVBQESA-N 1 3 200.326 1.223 20 0 BDADHO C[N@@H+]([C@@H]1COC(C)(C)C1)C(C)(C)CN ZINC000307139384 971123824 /nfs/dbraw/zinc/12/38/24/971123824.db2.gz BAJRNABZUIIICK-VIFPVBQESA-N 1 3 200.326 1.223 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@](C)(O)C2)CC1 ZINC001257215149 971132377 /nfs/dbraw/zinc/13/23/77/971132377.db2.gz TUTNXDUNEDVYMP-CYBMUJFWSA-N 1 3 226.364 1.316 20 0 BDADHO CCC[C@H](CC)[NH+]1CCN(CCN(C)C)CC1 ZINC001257256774 971153403 /nfs/dbraw/zinc/15/34/03/971153403.db2.gz KPCVABJZRHYVMW-AWEZNQCLSA-N 1 3 241.423 1.744 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCSC(F)(F)F ZINC000404758073 971180670 /nfs/dbraw/zinc/18/06/70/971180670.db2.gz GRLRNTDNPPHWHF-BQBZGAKWSA-N 1 3 242.310 1.955 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCSC(F)(F)F ZINC000404758073 971180677 /nfs/dbraw/zinc/18/06/77/971180677.db2.gz GRLRNTDNPPHWHF-BQBZGAKWSA-N 1 3 242.310 1.955 20 0 BDADHO C[C@@H](Nc1c[nH]cc2ccnc1-2)[C@H]1C[NH2+]CCO1 ZINC001170568977 971203980 /nfs/dbraw/zinc/20/39/80/971203980.db2.gz QHPLMEZQTGIUIG-BXKDBHETSA-N 1 3 246.314 1.352 20 0 BDADHO CN(C)c1cc[nH+]c(N2CCN3CC[C@H]3C2)c1 ZINC001158423998 971226601 /nfs/dbraw/zinc/22/66/01/971226601.db2.gz QYACCBFTYYDWHU-LBPRGKRZSA-N 1 3 232.331 1.042 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCc2ccncc2)C12CCC2 ZINC000405271673 971224789 /nfs/dbraw/zinc/22/47/89/971224789.db2.gz VBLDIHUDWPKWBG-STQMWFEESA-N 1 3 231.343 1.484 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336928 971236256 /nfs/dbraw/zinc/23/62/56/971236256.db2.gz FVJKFQDUYRYZDC-NWDGAFQWSA-N 1 3 238.375 1.541 20 0 BDADHO CCOC[C@H]([NH2+][C@H]1C[C@H](N)C12CCC2)C(C)C ZINC000405357088 971242566 /nfs/dbraw/zinc/24/25/66/971242566.db2.gz RRKPEUPFJWNKGY-AVGNSLFASA-N 1 3 240.391 1.907 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCOCC2CC2)C12CCC2 ZINC000405432335 971252541 /nfs/dbraw/zinc/25/25/41/971252541.db2.gz SOYUJDONZMIRQW-RYUDHWBXSA-N 1 3 224.348 1.273 20 0 BDADHO CC(F)(F)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405414232 971255627 /nfs/dbraw/zinc/25/56/27/971255627.db2.gz NXVXOWRJBYNKOP-BDAKNGLRSA-N 1 3 218.291 1.891 20 0 BDADHO CC(F)(F)CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405414232 971255635 /nfs/dbraw/zinc/25/56/35/971255635.db2.gz NXVXOWRJBYNKOP-BDAKNGLRSA-N 1 3 218.291 1.891 20 0 BDADHO CCCCOC(=O)CC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001257385403 971295267 /nfs/dbraw/zinc/29/52/67/971295267.db2.gz HMJADCCPTTVRTN-VOMCLLRMSA-N 1 3 242.363 1.578 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1N[C@H]1CCCSC1 ZINC001257668752 971470582 /nfs/dbraw/zinc/47/05/82/971470582.db2.gz UXJSWDFBCJHCGZ-LPEHRKFASA-N 1 3 200.351 1.351 20 0 BDADHO C[C@@H](c1ccccn1)N1CC[C@@H](OCCC[NH3+])C1 ZINC001217908588 971508762 /nfs/dbraw/zinc/50/87/62/971508762.db2.gz JWSBSJMJYJQGOE-QWHCGFSZSA-N 1 3 249.358 1.582 20 0 BDADHO c1cc2c(c(O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c1)CNC2 ZINC001218185405 971620485 /nfs/dbraw/zinc/62/04/85/971620485.db2.gz BGHOJMRVIZVOJI-ITGUQSILSA-N 1 3 244.338 1.952 20 0 BDADHO C[C@H](CN)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224447 974460335 /nfs/dbraw/zinc/46/03/35/974460335.db2.gz PUHMMQXRPVFUDI-WAAKLRNESA-N 1 3 212.337 1.223 20 0 BDADHO C[C@H](CN)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224447 974460342 /nfs/dbraw/zinc/46/03/42/974460342.db2.gz PUHMMQXRPVFUDI-WAAKLRNESA-N 1 3 212.337 1.223 20 0 BDADHO NC1(C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)CC1 ZINC001218972304 971970352 /nfs/dbraw/zinc/97/03/52/971970352.db2.gz KPUBYQXAUOCUHV-UHFFFAOYSA-N 1 3 245.326 1.454 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc(CF)cc1 ZINC001170898036 972054147 /nfs/dbraw/zinc/05/41/47/972054147.db2.gz BFSBYCMSYMRSEZ-LLVKDONJSA-N 1 3 211.284 1.592 20 0 BDADHO Cc1cc(N[C@H](N)CCC[NH3+])c2nccn2c1 ZINC001170901240 972068257 /nfs/dbraw/zinc/06/82/57/972068257.db2.gz XIUXOPVBLQRXBA-NSHDSACASA-N 1 3 233.319 1.078 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CCN1 ZINC001246073237 972124743 /nfs/dbraw/zinc/12/47/43/972124743.db2.gz RSDLDCLGUIFKNF-RHYQMDGZSA-N 1 3 212.337 1.020 20 0 BDADHO CC(C)OCC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246080425 972134826 /nfs/dbraw/zinc/13/48/26/972134826.db2.gz QZWIYVNCECLUNS-LLVKDONJSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246089860 972142107 /nfs/dbraw/zinc/14/21/07/972142107.db2.gz CAHRANNIXDARLX-KKOKHZNYSA-N 1 3 214.328 1.855 20 0 BDADHO CC[C@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246085232 972140915 /nfs/dbraw/zinc/14/09/15/972140915.db2.gz QCRWSHQDQCBANL-CYDGBPFRSA-N 1 3 226.364 1.674 20 0 BDADHO CC[C@@H](C)OCC[C@@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246115155 972178005 /nfs/dbraw/zinc/17/80/05/972178005.db2.gz XUKFDXXLACDIIX-NDBYEHHHSA-N 1 3 246.370 1.870 20 0 BDADHO CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220240890 972185807 /nfs/dbraw/zinc/18/58/07/972185807.db2.gz QLWWHXMIOWVZQI-UTUOFQBUSA-N 1 3 243.395 1.384 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170968338 972183951 /nfs/dbraw/zinc/18/39/51/972183951.db2.gz DLHFOHMKCFZULX-JQWIXIFHSA-N 1 3 236.334 1.867 20 0 BDADHO CC(C)CCC[C@@H](C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220250260 972197504 /nfs/dbraw/zinc/19/75/04/972197504.db2.gz URUTUDWBZPUWDI-NEPJUHHUSA-N 1 3 243.395 1.384 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606057 957092278 /nfs/dbraw/zinc/09/22/78/957092278.db2.gz DKWBBFSSBSORBS-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606057 957092285 /nfs/dbraw/zinc/09/22/85/957092285.db2.gz DKWBBFSSBSORBS-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO CCOC(=O)C(C)(C)CN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246313509 972274334 /nfs/dbraw/zinc/27/43/34/972274334.db2.gz FEPFZYMIJSVRSD-WDEREUQCSA-N 1 3 242.363 1.306 20 0 BDADHO CCOC(=O)C(C)(C)C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246313509 972274340 /nfs/dbraw/zinc/27/43/40/972274340.db2.gz FEPFZYMIJSVRSD-WDEREUQCSA-N 1 3 242.363 1.306 20 0 BDADHO Cc1cccc2c1CC[C@@H]([NH2+][C@H]1CC13CNC3)C2 ZINC001246443103 972315696 /nfs/dbraw/zinc/31/56/96/972315696.db2.gz FTAWLQSUEJKCQT-HIFRSBDPSA-N 1 3 242.366 1.804 20 0 BDADHO C[C@@H]1CC[C@@H](NCC2CC(F)(F)C2)C[NH2+]1 ZINC000399005650 958485219 /nfs/dbraw/zinc/48/52/19/958485219.db2.gz XVGCFUMGXGSNCV-PSASIEDQSA-N 1 3 218.291 1.762 20 0 BDADHO C[C@H]1CC[C@@H](NCCCn2ccnc2)C[NH2+]1 ZINC000398958839 958458939 /nfs/dbraw/zinc/45/89/39/958458939.db2.gz KNUCZKHGMUJXIK-NWDGAFQWSA-N 1 3 222.336 1.003 20 0 BDADHO COC1CCC([NH2+]C2CCNCC2)CC1 ZINC000707341443 958476580 /nfs/dbraw/zinc/47/65/80/958476580.db2.gz ZUTUPHRFUDUWFE-UHFFFAOYSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@H]1CCCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246524305 972386081 /nfs/dbraw/zinc/38/60/81/972386081.db2.gz HLZIONBTFCMJSJ-WOPDTQHZSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246524305 972386086 /nfs/dbraw/zinc/38/60/86/972386086.db2.gz HLZIONBTFCMJSJ-WOPDTQHZSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246524305 972386093 /nfs/dbraw/zinc/38/60/93/972386093.db2.gz HLZIONBTFCMJSJ-WOPDTQHZSA-N 1 3 212.337 1.238 20 0 BDADHO CN(C)/C=C/c1ccncc1-n1cccc1C[NH3+] ZINC001167600121 959021185 /nfs/dbraw/zinc/02/11/85/959021185.db2.gz HDZUKFJAKBSCIV-RMKNXTFCSA-N 1 3 242.326 1.863 20 0 BDADHO [NH3+]CC[C@H]1CCN(Cc2ccns2)C1 ZINC000690753565 959225559 /nfs/dbraw/zinc/22/55/59/959225559.db2.gz DULKPFLNRAKJCF-VIFPVBQESA-N 1 3 211.334 1.314 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCS[C@@H](C)[C@H]1C ZINC000300357152 959376438 /nfs/dbraw/zinc/37/64/38/959376438.db2.gz VKHAWIJOKKCWGO-WYUUTHIRSA-N 1 3 228.405 1.668 20 0 BDADHO [NH3+][C@H]1C[C@H](NCC2=CCCOC2)C12CCC2 ZINC000405237112 959424768 /nfs/dbraw/zinc/42/47/68/959424768.db2.gz FGLVSEMJUJDADK-RYUDHWBXSA-N 1 3 222.332 1.193 20 0 BDADHO C[C@H]1CSC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000308963256 959549156 /nfs/dbraw/zinc/54/91/56/959549156.db2.gz KQMOWRJLUJYFAS-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO COC(=O)C1CCC([N@@H+]2CC[C@](C)(N)C2)CC1 ZINC001246531686 972454037 /nfs/dbraw/zinc/45/40/37/972454037.db2.gz SAJSNZWNTKDRPL-XIVSLSHWSA-N 1 3 240.347 1.141 20 0 BDADHO COC(=O)C1CCC([N@H+]2CC[C@](C)(N)C2)CC1 ZINC001246531686 972454041 /nfs/dbraw/zinc/45/40/41/972454041.db2.gz SAJSNZWNTKDRPL-XIVSLSHWSA-N 1 3 240.347 1.141 20 0 BDADHO Cc1ccnc(CN2CCC(F)(C[NH3+])CC2)c1 ZINC001222533415 960683828 /nfs/dbraw/zinc/68/38/28/960683828.db2.gz YDXBCVFOWDTPJL-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO CC(C)CC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152445398 962425630 /nfs/dbraw/zinc/42/56/30/962425630.db2.gz HGKJMOIHKQNLSI-UHFFFAOYSA-N 1 3 243.395 1.079 20 0 BDADHO Nc1cc[nH+]c(N[C@@H]2CNCc3ccsc32)c1 ZINC001155559948 963108440 /nfs/dbraw/zinc/10/84/40/963108440.db2.gz SKHRQEVAWYLXOC-SNVBAGLBSA-N 1 3 246.339 1.982 20 0 BDADHO CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC001482331391 963140664 /nfs/dbraw/zinc/14/06/64/963140664.db2.gz QEDCCDOEHMEIQE-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157451321 963611606 /nfs/dbraw/zinc/61/16/06/963611606.db2.gz SPJIFCRGSUBPIS-UTUOFQBUSA-N 1 3 241.379 1.232 20 0 BDADHO CCN(CC)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001157464793 963622926 /nfs/dbraw/zinc/62/29/26/963622926.db2.gz QPZUUWLNFRQFTA-LBPRGKRZSA-N 1 3 243.395 1.350 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CO[C@@H]1CN2CCC1CC2 ZINC001224700894 964886255 /nfs/dbraw/zinc/88/62/55/964886255.db2.gz BVPHTCKMTDXHIU-UONOGXRCSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCCC[C@H]1CO[C@@H]1CN2CCC1CC2 ZINC001224700894 964886268 /nfs/dbraw/zinc/88/62/68/964886268.db2.gz BVPHTCKMTDXHIU-UONOGXRCSA-N 1 3 238.375 1.582 20 0 BDADHO Cc1ccc(-n2cnc(CN)c2)c(C[NH+](C)C)c1 ZINC001162304910 964922076 /nfs/dbraw/zinc/92/20/76/964922076.db2.gz YTPFCCQIXZQSHW-UHFFFAOYSA-N 1 3 244.342 1.701 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(n2)CNCC3)C1 ZINC001162393960 964953513 /nfs/dbraw/zinc/95/35/13/964953513.db2.gz NXGYIJGNENSYEG-VXGBXAGGSA-N 1 3 246.358 1.409 20 0 BDADHO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cncn1C ZINC001162459516 964987641 /nfs/dbraw/zinc/98/76/41/964987641.db2.gz ZRCXUPQDCBJFRK-WDEREUQCSA-N 1 3 222.336 1.468 20 0 BDADHO NCc1ccnn1-c1cccc2c1CC[C@H]2[NH3+] ZINC001162597028 965068168 /nfs/dbraw/zinc/06/81/68/965068168.db2.gz ATLFWIZFHMHRDS-GFCCVEGCSA-N 1 3 228.299 1.277 20 0 BDADHO Cc1cc(C)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1 ZINC001162790817 965177200 /nfs/dbraw/zinc/17/72/00/965177200.db2.gz WCGXSBGBKKOSSL-JHJVBQTASA-N 1 3 229.327 1.884 20 0 BDADHO Cn1cncc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163211479 965303644 /nfs/dbraw/zinc/30/36/44/965303644.db2.gz GIXVFBOQYPOKME-OCCSQVGLSA-N 1 3 242.326 1.935 20 0 BDADHO c1cc2c(s1)[C@@H](Nc1cc[nH+]cc1)CNC2 ZINC001163220042 965307964 /nfs/dbraw/zinc/30/79/64/965307964.db2.gz KJMDGWLDOBHYQX-NSHDSACASA-N 1 3 231.324 1.821 20 0 BDADHO CCc1cc(-n2ccnc2C(N)=[NH2+])ccn1 ZINC001168420197 965368314 /nfs/dbraw/zinc/36/83/14/965368314.db2.gz QERCJAHTMMBSSW-UHFFFAOYSA-N 1 3 215.260 1.114 20 0 BDADHO C[C@H](C[NH+](C)C)Nc1ccc2c(n1)CNCC2 ZINC001163772734 965575872 /nfs/dbraw/zinc/57/58/72/965575872.db2.gz ONYJCHFCJQJGFV-SNVBAGLBSA-N 1 3 234.347 1.089 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N(c2cc(N(C)C)ccn2)C1 ZINC001164070932 965728941 /nfs/dbraw/zinc/72/89/41/965728941.db2.gz QKWBFEHLDNSRQZ-AAEUAGOBSA-N 1 3 248.374 1.711 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2COC[C@@H]2CC)C1 ZINC000699485286 965911628 /nfs/dbraw/zinc/91/16/28/965911628.db2.gz OEBKMRWOZVLXID-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO Nc1cccc(N2CCC3(CCCC[NH2+]3)CC2)n1 ZINC001165246021 966007578 /nfs/dbraw/zinc/00/75/78/966007578.db2.gz GBURPOGGVLAANU-UHFFFAOYSA-N 1 3 246.358 1.776 20 0 BDADHO [NH3+]CCCCN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001204847543 967195428 /nfs/dbraw/zinc/19/54/28/967195428.db2.gz CGGYHVKUNCJOGB-NEPJUHHUSA-N 1 3 224.348 1.559 20 0 BDADHO Cc1ccnc(CN2CCC(C[NH3+])CC2)c1 ZINC001205033402 967297097 /nfs/dbraw/zinc/29/70/97/967297097.db2.gz FQRKKOXAQJSJMZ-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2cccc3c2NCC3)CC1 ZINC001205123960 967371674 /nfs/dbraw/zinc/37/16/74/967371674.db2.gz HUAVJBFXCGTZCQ-CQSZACIVSA-N 1 3 245.370 1.968 20 0 BDADHO C[NH+](C)CCC1=CC[C@H](N2CCOCC2)CC1 ZINC001250162014 967456673 /nfs/dbraw/zinc/45/66/73/967456673.db2.gz IBRMSWQRJXYFJQ-AWEZNQCLSA-N 1 3 238.375 1.749 20 0 BDADHO C[C@H]1CC[N@H+](Cc2ccc([O-])cn2)CC[C@@H]1C[NH3+] ZINC001205626838 967733807 /nfs/dbraw/zinc/73/38/07/967733807.db2.gz JQTVGXNZYPIKBA-NWDGAFQWSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1CC[N@@H+](Cc2ccc([O-])cn2)CC[C@@H]1C[NH3+] ZINC001205626838 967733822 /nfs/dbraw/zinc/73/38/22/967733822.db2.gz JQTVGXNZYPIKBA-NWDGAFQWSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000701568303 967815147 /nfs/dbraw/zinc/81/51/47/967815147.db2.gz MQAHWKGYPPHVMI-NDBYEHHHSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H](N)C23CCC3)O1 ZINC000701568303 967815149 /nfs/dbraw/zinc/81/51/49/967815149.db2.gz MQAHWKGYPPHVMI-NDBYEHHHSA-N 1 3 238.375 1.804 20 0 BDADHO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206163906 968101276 /nfs/dbraw/zinc/10/12/76/968101276.db2.gz HQHNESMKHWZCQD-RYUDHWBXSA-N 1 3 240.326 1.288 20 0 BDADHO Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206163906 968101283 /nfs/dbraw/zinc/10/12/83/968101283.db2.gz HQHNESMKHWZCQD-RYUDHWBXSA-N 1 3 240.326 1.288 20 0 BDADHO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206163905 968102587 /nfs/dbraw/zinc/10/25/87/968102587.db2.gz HQHNESMKHWZCQD-NWDGAFQWSA-N 1 3 240.326 1.288 20 0 BDADHO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206163905 968102602 /nfs/dbraw/zinc/10/26/02/968102602.db2.gz HQHNESMKHWZCQD-NWDGAFQWSA-N 1 3 240.326 1.288 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](CC(C)(C)C)CC1 ZINC001251813935 968347463 /nfs/dbraw/zinc/34/74/63/968347463.db2.gz GWCAYYINTVSVKF-CYBMUJFWSA-N 1 3 242.407 1.857 20 0 BDADHO C[C@@H]1CC[N@H+](CCCCCO)C[C@@H]1CN ZINC000163883423 968408776 /nfs/dbraw/zinc/40/87/76/968408776.db2.gz JKJMZPJCSCKLRE-NEPJUHHUSA-N 1 3 214.353 1.066 20 0 BDADHO C[C@@H]1CC[N@@H+](CCCCCO)C[C@@H]1CN ZINC000163883423 968408782 /nfs/dbraw/zinc/40/87/82/968408782.db2.gz JKJMZPJCSCKLRE-NEPJUHHUSA-N 1 3 214.353 1.066 20 0 BDADHO C[C@@H]1CCN(CCCCCO)C[C@@H]1C[NH3+] ZINC000163883423 968408786 /nfs/dbraw/zinc/40/87/86/968408786.db2.gz JKJMZPJCSCKLRE-NEPJUHHUSA-N 1 3 214.353 1.066 20 0 BDADHO CCCC[C@@H](O)C[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001252096455 968578514 /nfs/dbraw/zinc/57/85/14/968578514.db2.gz CCGDDXIOIIEQIY-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO CCCC[C@@H](O)C[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001252096455 968578537 /nfs/dbraw/zinc/57/85/37/968578537.db2.gz CCGDDXIOIIEQIY-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO CC[NH+]1C[C@@H]2CN(CCCn3cccn3)C[C@H]2C1 ZINC001208086118 968989813 /nfs/dbraw/zinc/98/98/13/968989813.db2.gz FOSWGNPBFVEQGQ-ZIAGYGMSSA-N 1 3 248.374 1.157 20 0 BDADHO CN(C)C1CC[NH+](CCCn2cccn2)CC1 ZINC001208083488 968992634 /nfs/dbraw/zinc/99/26/34/968992634.db2.gz VGBGNHGPSVRFIO-UHFFFAOYSA-N 1 3 236.363 1.299 20 0 BDADHO C[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384331 969145615 /nfs/dbraw/zinc/14/56/15/969145615.db2.gz PATJJRWAFVTTBS-RWMBFGLXSA-N 1 3 242.407 1.904 20 0 BDADHO CCC[C@H](CNCCC[NH+]1CCCC1)OC ZINC000382008795 969168950 /nfs/dbraw/zinc/16/89/50/969168950.db2.gz CDFDZKXKEQOYEL-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CCC[C@H](C[NH2+]CCCN1CCCC1)OC ZINC000382008795 969168954 /nfs/dbraw/zinc/16/89/54/969168954.db2.gz CDFDZKXKEQOYEL-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CN1CC[C@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000383744442 969183339 /nfs/dbraw/zinc/18/33/39/969183339.db2.gz ITVYXDVWLLOIJK-GFCCVEGCSA-N 1 3 237.391 1.155 20 0 BDADHO CN(C)c1cc(NC2=CCN(C)CC2)cc[nH+]1 ZINC001208793493 969237934 /nfs/dbraw/zinc/23/79/34/969237934.db2.gz HDCAXCOATLFJLH-UHFFFAOYSA-N 1 3 232.331 1.779 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCCN(C)C1)C2 ZINC001169095721 969386571 /nfs/dbraw/zinc/38/65/71/969386571.db2.gz SBEMULHCOIGAJT-FQUUOJAGSA-N 1 3 237.391 1.295 20 0 BDADHO C[C@H](N)c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100525 969392161 /nfs/dbraw/zinc/39/21/61/969392161.db2.gz KNUCYECRLRXNEO-NNYUYHANSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100525 969392167 /nfs/dbraw/zinc/39/21/67/969392167.db2.gz KNUCYECRLRXNEO-NNYUYHANSA-N 1 3 234.347 1.701 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOC[C@H]1F)C2 ZINC001169101506 969400134 /nfs/dbraw/zinc/40/01/34/969400134.db2.gz SYWYNAHVZIPPQV-MLGHIDQZSA-N 1 3 242.338 1.328 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCN(C)CC1)C2 ZINC001169077845 969400347 /nfs/dbraw/zinc/40/03/47/969400347.db2.gz AHECJUAQIHJTQC-BTTYYORXSA-N 1 3 237.391 1.295 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ncc3c1CCNC3)C2 ZINC001169124866 969425346 /nfs/dbraw/zinc/42/53/46/969425346.db2.gz FSPQELAGOHUGBR-ITGUQSILSA-N 1 3 246.358 1.327 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ncc3c1CCNC3)C2 ZINC001169124866 969425351 /nfs/dbraw/zinc/42/53/51/969425351.db2.gz FSPQELAGOHUGBR-ITGUQSILSA-N 1 3 246.358 1.327 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCN(C)CC1)C2 ZINC001169126967 969431968 /nfs/dbraw/zinc/43/19/68/969431968.db2.gz YMMGWKLXAQZHFA-BTTYYORXSA-N 1 3 237.391 1.249 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCN(C)CC1)C2 ZINC001169126967 969431972 /nfs/dbraw/zinc/43/19/72/969431972.db2.gz YMMGWKLXAQZHFA-BTTYYORXSA-N 1 3 237.391 1.249 20 0 BDADHO COC(=O)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109045 969447183 /nfs/dbraw/zinc/44/71/83/969447183.db2.gz HBRKLHSCNUHNKV-KKOKHZNYSA-N 1 3 240.347 1.153 20 0 BDADHO COC(=O)C[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109045 969447185 /nfs/dbraw/zinc/44/71/85/969447185.db2.gz HBRKLHSCNUHNKV-KKOKHZNYSA-N 1 3 240.347 1.153 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1COC(C)(C)C1)C2 ZINC001169112681 969458065 /nfs/dbraw/zinc/45/80/65/969458065.db2.gz RQXKNYCOWZQRBD-RVMXOQNASA-N 1 3 238.375 1.769 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1COC(C)(C)C1)C2 ZINC001169112681 969458070 /nfs/dbraw/zinc/45/80/70/969458070.db2.gz RQXKNYCOWZQRBD-RVMXOQNASA-N 1 3 238.375 1.769 20 0 BDADHO CC[NH+]1CCC(n2ccnc2[C@H](C)N)CC1 ZINC001169219591 969487331 /nfs/dbraw/zinc/48/73/31/969487331.db2.gz GBZGQWXQDFBVMC-JTQLQIEISA-N 1 3 222.336 1.560 20 0 BDADHO CC(C)(N)C(C)(C)[NH2+][C@H]1CCCOC1 ZINC001254369510 969580876 /nfs/dbraw/zinc/58/08/76/969580876.db2.gz IBBAVDAMHMJISB-VIFPVBQESA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)([NH3+])C(C)(C)N[C@H]1CCCOC1 ZINC001254369510 969580882 /nfs/dbraw/zinc/58/08/82/969580882.db2.gz IBBAVDAMHMJISB-VIFPVBQESA-N 1 3 200.326 1.271 20 0 BDADHO CN1CCC[C@@H]([N@H+](C)Cc2ccncc2)CC1 ZINC001254515741 969685324 /nfs/dbraw/zinc/68/53/24/969685324.db2.gz BWZQXTCVKXHFBT-CQSZACIVSA-N 1 3 233.359 1.998 20 0 BDADHO CN1CCC[C@@H]([N@@H+](C)Cc2ccncc2)CC1 ZINC001254515741 969685329 /nfs/dbraw/zinc/68/53/29/969685329.db2.gz BWZQXTCVKXHFBT-CQSZACIVSA-N 1 3 233.359 1.998 20 0 BDADHO Cc1cc(N)[nH+]cc1Nc1cnncc1N ZINC001209964746 969726383 /nfs/dbraw/zinc/72/63/83/969726383.db2.gz CCPNUJDKQLXDJC-UHFFFAOYSA-N 1 3 216.248 1.088 20 0 BDADHO NCc1ccc(N[C@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254846194 969802799 /nfs/dbraw/zinc/80/27/99/969802799.db2.gz RWDTXEQPRLTTTQ-AWEZNQCLSA-N 1 3 246.358 1.437 20 0 BDADHO CC(C)(CN)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001255098841 969935478 /nfs/dbraw/zinc/93/54/78/969935478.db2.gz HCWFBWZJYBHCAH-CQSZACIVSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@H](CN)C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982457 969938502 /nfs/dbraw/zinc/93/85/02/969938502.db2.gz NHNGLRNHDDRQOX-SNVBAGLBSA-N 1 3 243.395 1.582 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2CCC[N@H+](C)C2)n1 ZINC001255471835 970192726 /nfs/dbraw/zinc/19/27/26/970192726.db2.gz HUYBLKQSSORFEY-VHSXEESVSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2CCC[N@@H+](C)C2)n1 ZINC001255471835 970192734 /nfs/dbraw/zinc/19/27/34/970192734.db2.gz HUYBLKQSSORFEY-VHSXEESVSA-N 1 3 208.309 1.170 20 0 BDADHO C[N@@H+]1CCC[C@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255487779 970235377 /nfs/dbraw/zinc/23/53/77/970235377.db2.gz VJWWTPFMBDANNO-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO C[N@H+]1CCC[C@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255487779 970235399 /nfs/dbraw/zinc/23/53/99/970235399.db2.gz VJWWTPFMBDANNO-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+]([C@H]3CCCN(C)C3)C2)C1 ZINC001255492626 970249997 /nfs/dbraw/zinc/24/99/97/970249997.db2.gz IYUAJWMTJZESDD-UONOGXRCSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@@]2(CC[N@H+]([C@H]3CCCN(C)C3)C2)C1 ZINC001255492626 970250008 /nfs/dbraw/zinc/25/00/08/970250008.db2.gz IYUAJWMTJZESDD-UONOGXRCSA-N 1 3 237.391 1.108 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001255945440 970567148 /nfs/dbraw/zinc/56/71/48/970567148.db2.gz FYOYADVXGCYKAL-NDBYEHHHSA-N 1 3 226.364 1.341 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001255945440 970567163 /nfs/dbraw/zinc/56/71/63/970567163.db2.gz FYOYADVXGCYKAL-NDBYEHHHSA-N 1 3 226.364 1.341 20 0 BDADHO c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)no1 ZINC000400988458 970653078 /nfs/dbraw/zinc/65/30/78/970653078.db2.gz WQWWYFBAHHWWLV-HBNTYKKESA-N 1 3 221.304 1.152 20 0 BDADHO C[NH+]1CCC(Nc2cccc(F)c2CN)CC1 ZINC001256195044 970687768 /nfs/dbraw/zinc/68/77/68/970687768.db2.gz XLFMHZIAFGMRHN-UHFFFAOYSA-N 1 3 237.322 1.791 20 0 BDADHO C[NH+]1CCC(n2nc(CN)c3ccccc32)CC1 ZINC001256195199 970690640 /nfs/dbraw/zinc/69/06/40/970690640.db2.gz DCICFULOMBJFGD-UHFFFAOYSA-N 1 3 244.342 1.762 20 0 BDADHO C[NH+]1CCC(N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001256202476 970700342 /nfs/dbraw/zinc/70/03/42/970700342.db2.gz FIMYHEAGRMLWSM-NEPJUHHUSA-N 1 3 224.348 1.049 20 0 BDADHO C[NH+]1CCC(N2CCC3(CC3)CC2)CC1 ZINC001256203361 970706250 /nfs/dbraw/zinc/70/62/50/970706250.db2.gz WMDWJVXJMCOWAV-UHFFFAOYSA-N 1 3 208.349 1.957 20 0 BDADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543610 972599443 /nfs/dbraw/zinc/59/94/43/972599443.db2.gz UYSXYBCGUWJJJO-YNEHKIRRSA-N 1 3 226.364 1.757 20 0 BDADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543610 972599454 /nfs/dbraw/zinc/59/94/54/972599454.db2.gz UYSXYBCGUWJJJO-YNEHKIRRSA-N 1 3 226.364 1.757 20 0 BDADHO [NH3+][C@@H]1CCCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550971 972726943 /nfs/dbraw/zinc/72/69/43/972726943.db2.gz ZNIUGIKXECLFAR-SDDRHHMPSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@@H]1CCC[N@@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550971 972726947 /nfs/dbraw/zinc/72/69/47/972726947.db2.gz ZNIUGIKXECLFAR-SDDRHHMPSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@@H]1CCC[N@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550971 972726955 /nfs/dbraw/zinc/72/69/55/972726955.db2.gz ZNIUGIKXECLFAR-SDDRHHMPSA-N 1 3 236.359 1.557 20 0 BDADHO C[NH2+][C@H](C)CCN[C@H](COC)C(C)C ZINC001327840656 972755759 /nfs/dbraw/zinc/75/57/59/972755759.db2.gz RGDGBMPVSNYLKY-GHMZBOCLSA-N 1 3 202.342 1.245 20 0 BDADHO COC(=O)CCCC[C@@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568892 972825917 /nfs/dbraw/zinc/82/59/17/972825917.db2.gz SUFKVGFAVDXRJW-IJLUTSLNSA-N 1 3 242.363 1.387 20 0 BDADHO Cc1nc2c(n1[C@@H]1CC[C@@H](C)[NH2+]C1)CNCC2 ZINC001246859543 973169221 /nfs/dbraw/zinc/16/92/21/973169221.db2.gz GABYITICOHNROF-MWLCHTKSSA-N 1 3 234.347 1.150 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CC[C@]3(N)C1)C2 ZINC001246854666 973173859 /nfs/dbraw/zinc/17/38/59/973173859.db2.gz QNXZIYBFVHBBJL-DGTMBMJNSA-N 1 3 235.375 1.035 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CC[C@]3(N)C1)C2 ZINC001246854666 973173916 /nfs/dbraw/zinc/17/39/16/973173916.db2.gz QNXZIYBFVHBBJL-DGTMBMJNSA-N 1 3 235.375 1.035 20 0 BDADHO CN[C@@H]1CCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904833 973385000 /nfs/dbraw/zinc/38/50/00/973385000.db2.gz YSVAFYMHWXHCFG-OLZOCXBDSA-N 1 3 237.391 1.693 20 0 BDADHO C[NH+]1C(C)(C)CC(NC2CC(O)C2)CC1(C)C ZINC001171613440 974113774 /nfs/dbraw/zinc/11/37/74/974113774.db2.gz JSDAWTCJZQVIJD-UHFFFAOYSA-N 1 3 240.391 1.751 20 0 BDADHO CN1C(C)(C)CC([NH2+]C2CC(O)C2)CC1(C)C ZINC001171613440 974113786 /nfs/dbraw/zinc/11/37/86/974113786.db2.gz JSDAWTCJZQVIJD-UHFFFAOYSA-N 1 3 240.391 1.751 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1Cc2cccc(F)c2C1 ZINC001171783037 974174431 /nfs/dbraw/zinc/17/44/31/974174431.db2.gz IRWZGSMIHVUEMT-GXSJLCMTSA-N 1 3 222.307 1.477 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783037 974174437 /nfs/dbraw/zinc/17/44/37/974174437.db2.gz IRWZGSMIHVUEMT-GXSJLCMTSA-N 1 3 222.307 1.477 20 0 BDADHO N[C@H]1CC[N@H+](Cc2ccc[nH]2)CC[C@H]1F ZINC001206155593 974332736 /nfs/dbraw/zinc/33/27/36/974332736.db2.gz MODYWXHOCALZML-MNOVXSKESA-N 1 3 211.284 1.276 20 0 BDADHO N[C@H]1CC[N@@H+](Cc2ccc[nH]2)CC[C@H]1F ZINC001206155593 974332746 /nfs/dbraw/zinc/33/27/46/974332746.db2.gz MODYWXHOCALZML-MNOVXSKESA-N 1 3 211.284 1.276 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CC[C@H]3C1)C2 ZINC001172133620 974355194 /nfs/dbraw/zinc/35/51/94/974355194.db2.gz UAGREEMBGVHSPQ-LJISPDSOSA-N 1 3 249.402 1.392 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CC[C@H]3C1)C2 ZINC001172133620 974355204 /nfs/dbraw/zinc/35/52/04/974355204.db2.gz UAGREEMBGVHSPQ-LJISPDSOSA-N 1 3 249.402 1.392 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CSC1)C2 ZINC001172108737 974377005 /nfs/dbraw/zinc/37/70/05/974377005.db2.gz YPOBRSZQCVXGTJ-WLLOZRIZSA-N 1 3 226.389 1.707 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1CSC1)C2 ZINC001172108737 974376996 /nfs/dbraw/zinc/37/69/96/974376996.db2.gz YPOBRSZQCVXGTJ-WLLOZRIZSA-N 1 3 226.389 1.707 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCN1CCC1)C2 ZINC001172113473 974382936 /nfs/dbraw/zinc/38/29/36/974382936.db2.gz HLCQTIJMIOBSDY-ZSOGYDGISA-N 1 3 237.391 1.297 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCN1CCC1)C2 ZINC001172113473 974382942 /nfs/dbraw/zinc/38/29/42/974382942.db2.gz HLCQTIJMIOBSDY-ZSOGYDGISA-N 1 3 237.391 1.297 20 0 BDADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)[nH]1 ZINC001206163881 974512625 /nfs/dbraw/zinc/51/26/25/974512625.db2.gz HBCHXEUUOMYQEE-NWDGAFQWSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1cc(C)c(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)[nH]1 ZINC001206163881 974512627 /nfs/dbraw/zinc/51/26/27/974512627.db2.gz HBCHXEUUOMYQEE-NWDGAFQWSA-N 1 3 239.338 1.893 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](C)CN)C1 ZINC001172604054 974881815 /nfs/dbraw/zinc/88/18/15/974881815.db2.gz RLANPTHOCBWHRP-IJLUTSLNSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](C)CN)C1 ZINC001172604054 974881820 /nfs/dbraw/zinc/88/18/20/974881820.db2.gz RLANPTHOCBWHRP-IJLUTSLNSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H](N(C)C[C@H](C)C[NH3+])C1 ZINC001172604054 974881824 /nfs/dbraw/zinc/88/18/24/974881824.db2.gz RLANPTHOCBWHRP-IJLUTSLNSA-N 1 3 242.363 1.245 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC001332402827 975096398 /nfs/dbraw/zinc/09/63/98/975096398.db2.gz SPRGRCNCXHKQBE-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO CCN1CCN([C@@H]2CC[N@H+](CC)C2)C(C)(C)C1 ZINC001173374843 975362453 /nfs/dbraw/zinc/36/24/53/975362453.db2.gz OWAJEZKVUMNRFY-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN([C@@H]2CC[N@@H+](CC)C2)C(C)(C)C1 ZINC001173374843 975362467 /nfs/dbraw/zinc/36/24/67/975362467.db2.gz OWAJEZKVUMNRFY-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO COC(=O)CCCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001173446502 975389907 /nfs/dbraw/zinc/38/99/07/975389907.db2.gz WDIZMMFUBVTFDQ-WDEREUQCSA-N 1 3 230.352 1.293 20 0 BDADHO CC1(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391653 976487803 /nfs/dbraw/zinc/48/78/03/976487803.db2.gz WZKLARCMLBETRZ-WDEREUQCSA-N 1 3 242.363 1.245 20 0 BDADHO CC[N@H+](CCC(N)=O)Cc1cc2cnccc2[nH]1 ZINC001232014239 977840002 /nfs/dbraw/zinc/84/00/02/977840002.db2.gz LVYSFVONXCYUCX-UHFFFAOYSA-N 1 3 246.314 1.260 20 0 BDADHO CC[N@@H+](CCC(N)=O)Cc1cc2cnccc2[nH]1 ZINC001232014239 977840004 /nfs/dbraw/zinc/84/00/04/977840004.db2.gz LVYSFVONXCYUCX-UHFFFAOYSA-N 1 3 246.314 1.260 20 0 BDADHO CN1CCC[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001176069128 977912543 /nfs/dbraw/zinc/91/25/43/977912543.db2.gz GRBOLIUATJNENI-BFHYXJOUSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001176069128 977912551 /nfs/dbraw/zinc/91/25/51/977912551.db2.gz GRBOLIUATJNENI-BFHYXJOUSA-N 1 3 237.391 1.249 20 0 BDADHO CC[C@@H](C(=O)N1CCC([NH3+])(CC)CC1)N(C)C ZINC001337069092 978152137 /nfs/dbraw/zinc/15/21/37/978152137.db2.gz NJWSQBLMMNZKBM-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H](O)CN1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001177008492 978270426 /nfs/dbraw/zinc/27/04/26/978270426.db2.gz KVGGOFFBYCFJGR-MCIONIFRSA-N 1 3 238.375 1.175 20 0 BDADHO C[C@@H](O)CN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001177008492 978270438 /nfs/dbraw/zinc/27/04/38/978270438.db2.gz KVGGOFFBYCFJGR-MCIONIFRSA-N 1 3 238.375 1.175 20 0 BDADHO c1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ccn1 ZINC001337709788 978468942 /nfs/dbraw/zinc/46/89/42/978468942.db2.gz PKELIXWEFZQXHZ-CQSZACIVSA-N 1 3 231.343 1.932 20 0 BDADHO c1cc(NC[C@H]2CCCC[N@H+]2C2CC2)ccn1 ZINC001337709788 978468945 /nfs/dbraw/zinc/46/89/45/978468945.db2.gz PKELIXWEFZQXHZ-CQSZACIVSA-N 1 3 231.343 1.932 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccnc(CO)c3)[C@@H]2C1 ZINC001338296289 978655171 /nfs/dbraw/zinc/65/51/71/978655171.db2.gz HNFMDFSAESNLBX-GDLCADMTSA-N 1 3 247.342 1.326 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccnc(CO)c3)[C@@H]2C1 ZINC001338296289 978655174 /nfs/dbraw/zinc/65/51/74/978655174.db2.gz HNFMDFSAESNLBX-GDLCADMTSA-N 1 3 247.342 1.326 20 0 BDADHO C[NH2+][C@@]12CC[C@@](NCCC(=O)OC)(C1)CCC2 ZINC001277864409 978861285 /nfs/dbraw/zinc/86/12/85/978861285.db2.gz FYAAOZXXOLZLBF-QWHCGFSZSA-N 1 3 240.347 1.204 20 0 BDADHO c1c(CN2CC[C@H]3[NH2+]CC[C@H]32)nc2cc[nH]cc1-2 ZINC001235080064 978970726 /nfs/dbraw/zinc/97/07/26/978970726.db2.gz UMIVFQFYCQCQIM-ZIAGYGMSSA-N 1 3 242.326 1.499 20 0 BDADHO c1c2cnccc2[nH]c1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235080064 978970732 /nfs/dbraw/zinc/97/07/32/978970732.db2.gz UMIVFQFYCQCQIM-ZIAGYGMSSA-N 1 3 242.326 1.499 20 0 BDADHO C[C@@H](N)C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC001235138631 978982855 /nfs/dbraw/zinc/98/28/55/978982855.db2.gz BSUOOQHLJCRDGA-GFCCVEGCSA-N 1 3 245.370 1.793 20 0 BDADHO CO[C@@H]1CCC[C@@H]2CN(C[C@@H](C)[NH3+])C[C@@H]21 ZINC001235624973 979106894 /nfs/dbraw/zinc/10/68/94/979106894.db2.gz NJTMXPRVEXGUBU-WISYIIOYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H](C[N@@H+]1C[C@@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206454231 979131028 /nfs/dbraw/zinc/13/10/28/979131028.db2.gz CKTICMCSWGAUAK-FPMFFAJLSA-N 1 3 234.343 1.042 20 0 BDADHO C[C@@H](C[N@H+]1C[C@@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206454231 979131030 /nfs/dbraw/zinc/13/10/30/979131030.db2.gz CKTICMCSWGAUAK-FPMFFAJLSA-N 1 3 234.343 1.042 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@@H]3CC[C@]3(N)C2)cc1 ZINC001235980597 979247970 /nfs/dbraw/zinc/24/79/70/979247970.db2.gz RDYMSRHPJFTMTP-ZFWWWQNUSA-N 1 3 246.354 1.661 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@@H]3CC[C@]3(N)C2)cc1 ZINC001235980597 979247983 /nfs/dbraw/zinc/24/79/83/979247983.db2.gz RDYMSRHPJFTMTP-ZFWWWQNUSA-N 1 3 246.354 1.661 20 0 BDADHO [NH3+]C[C@H]1CN(CC2CCC(F)(F)CC2)C[C@H]1O ZINC001206458264 979253214 /nfs/dbraw/zinc/25/32/14/979253214.db2.gz YARGLMSLSAFFFW-WDEREUQCSA-N 1 3 248.317 1.063 20 0 BDADHO N[C@@]12CC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981937 979257849 /nfs/dbraw/zinc/25/78/49/979257849.db2.gz YTHXTMGTBJRFLD-CMPLNLGQSA-N 1 3 222.357 1.714 20 0 BDADHO N[C@@]12CC[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981937 979257855 /nfs/dbraw/zinc/25/78/55/979257855.db2.gz YTHXTMGTBJRFLD-CMPLNLGQSA-N 1 3 222.357 1.714 20 0 BDADHO C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCC(C)(C)[NH3+] ZINC001341763632 979538863 /nfs/dbraw/zinc/53/88/63/979538863.db2.gz FYMKVHFTKRTYMZ-VWYCJHECSA-N 1 3 241.379 1.101 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@H+](C[C@H](C)N)C[C@H]1C ZINC001237114652 979819267 /nfs/dbraw/zinc/81/92/67/979819267.db2.gz LMMRFVHBHLQUFP-WOPDTQHZSA-N 1 3 242.363 1.245 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@@H+](C[C@H](C)N)C[C@H]1C ZINC001237114652 979819270 /nfs/dbraw/zinc/81/92/70/979819270.db2.gz LMMRFVHBHLQUFP-WOPDTQHZSA-N 1 3 242.363 1.245 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056989 980327720 /nfs/dbraw/zinc/32/77/20/980327720.db2.gz BERAAWPZTFVZOX-IJLUTSLNSA-N 1 3 243.395 1.240 20 0 BDADHO NCc1cc(-c2ccc3c(c2)CC[NH2+]C3)ncn1 ZINC001240454357 981392603 /nfs/dbraw/zinc/39/26/03/981392603.db2.gz MSSJUQGFXXKDSR-UHFFFAOYSA-N 1 3 240.310 1.248 20 0 BDADHO c1cc(C2=CC[NH2+]CC2)nc2c1CCNC2 ZINC001240466199 981398963 /nfs/dbraw/zinc/39/89/63/981398963.db2.gz WDNBMMLOMUEAMZ-UHFFFAOYSA-N 1 3 215.300 1.104 20 0 BDADHO OC[C@]1(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC[NH2+]C1 ZINC001580882481 981685659 /nfs/dbraw/zinc/68/56/59/981685659.db2.gz RRFNIPISWRGYBE-MQYQWHSLSA-N 1 3 238.375 1.127 20 0 BDADHO OC[C@]12CCC[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC001580884595 981692895 /nfs/dbraw/zinc/69/28/95/981692895.db2.gz IMBDBTWAMQEDCD-GXTWGEPZSA-N 1 3 238.375 1.223 20 0 BDADHO CC(C)([NH3+])CCNC(=O)[C@@H](N)C1CCCCC1 ZINC001353127318 982710586 /nfs/dbraw/zinc/71/05/86/982710586.db2.gz QQLBMBPIGOILQD-NSHDSACASA-N 1 3 241.379 1.138 20 0 BDADHO NCc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001242023938 983233682 /nfs/dbraw/zinc/23/36/82/983233682.db2.gz LMQXSGAPLSQAPT-NEPJUHHUSA-N 1 3 215.300 1.448 20 0 BDADHO NCc1cc(-c2ccc3c(c2)C[NH2+]C3)ncn1 ZINC001242674046 984041991 /nfs/dbraw/zinc/04/19/91/984041991.db2.gz PLWIWYNPNIIBAH-UHFFFAOYSA-N 1 3 226.283 1.206 20 0 BDADHO C1C[C@@H]2[C@H](O1)[C@H]1CC[C@H]([NH2+]C3CCNCC3)[C@@H]21 ZINC001574795438 984113364 /nfs/dbraw/zinc/11/33/64/984113364.db2.gz MWXLHOFBVFWNNC-QSLWVIQJSA-N 1 3 236.359 1.142 20 0 BDADHO C[NH+](C)CC1CCN(Cc2ccc[nH]2)CC1 ZINC001204010979 984168923 /nfs/dbraw/zinc/16/89/23/984168923.db2.gz YVZPHWMRXLNCCF-UHFFFAOYSA-N 1 3 221.348 1.788 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC001578160950 984206755 /nfs/dbraw/zinc/20/67/55/984206755.db2.gz FNANBYCACSMNCR-ZRUFSTJUSA-N 1 3 212.337 1.269 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2cnsc2)C1 ZINC001202750322 984213508 /nfs/dbraw/zinc/21/35/08/984213508.db2.gz QYHBKHWMRIWODY-LLVKDONJSA-N 1 3 239.388 1.965 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2cnsc2)C1 ZINC001202750322 984213512 /nfs/dbraw/zinc/21/35/12/984213512.db2.gz QYHBKHWMRIWODY-LLVKDONJSA-N 1 3 239.388 1.965 20 0 BDADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](N)C2)[C@@H]1C ZINC001578803597 984229183 /nfs/dbraw/zinc/22/91/83/984229183.db2.gz UMECZCCYLKXHRI-IYKVGLELSA-N 1 3 240.347 1.044 20 0 BDADHO [NH3+]C1CC(N[C@@H]2CCO[C@@H](c3cccnc3)C2)C1 ZINC001580167212 984408981 /nfs/dbraw/zinc/40/89/81/984408981.db2.gz VSFPZFZFTVQPDL-FKZOYECMSA-N 1 3 247.342 1.381 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001580423033 984534726 /nfs/dbraw/zinc/53/47/26/984534726.db2.gz MOKDWOPEJYVHBV-VEGXAWMVSA-N 1 3 224.348 1.271 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1NC[C@H](C)[NH3+] ZINC001578148790 984856543 /nfs/dbraw/zinc/85/65/43/984856543.db2.gz JVFWOYRQZFMYBV-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CCO[C@@H]1CCC[C@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC001578151301 984858890 /nfs/dbraw/zinc/85/88/90/984858890.db2.gz BCDUYNLSABAWBE-LPWJVIDDSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])C[C@H](C)N1 ZINC001578227212 984876956 /nfs/dbraw/zinc/87/69/56/984876956.db2.gz ZPVVCYKLFVCONZ-WDEREUQCSA-N 1 3 241.379 1.103 20 0 BDADHO CN(CCN(C)[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC001578470166 985105933 /nfs/dbraw/zinc/10/59/33/985105933.db2.gz QXSWSEGYRLVAQW-OAHLLOKOSA-N 1 3 247.386 1.412 20 0 BDADHO CN1CC[C@@H]1C[NH2+]C[C@@H](N)CCC(C)(C)C ZINC001578526063 985148855 /nfs/dbraw/zinc/14/88/55/985148855.db2.gz YMZOVWOAICALTI-NWDGAFQWSA-N 1 3 227.396 1.434 20 0 BDADHO CN1CC[C@@H]1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001578526063 985148868 /nfs/dbraw/zinc/14/88/68/985148868.db2.gz YMZOVWOAICALTI-NWDGAFQWSA-N 1 3 227.396 1.434 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H](SC)C1 ZINC001578638366 985245410 /nfs/dbraw/zinc/24/54/10/985245410.db2.gz MLIMXXDHWLJRNX-GARJFASQSA-N 1 3 216.394 1.858 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@@H](C)CC(C)(C)CC(=O)OC ZINC001578638547 985247715 /nfs/dbraw/zinc/24/77/15/985247715.db2.gz PGTFEWIHKQQGLX-WDEREUQCSA-N 1 3 244.379 1.552 20 0 BDADHO C[NH2+]CCN(C)CCN(C)Cc1ccccc1 ZINC001578703907 985298942 /nfs/dbraw/zinc/29/89/42/985298942.db2.gz INBBNFGROOIYCC-UHFFFAOYSA-N 1 3 235.375 1.270 20 0 BDADHO C[C@H](CN)C[N@H+](C)C1CCC2(COC2)CC1 ZINC001257900957 985300992 /nfs/dbraw/zinc/30/09/92/985300992.db2.gz RMUZOEPOFVZZTD-LLVKDONJSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](CN)C[N@@H+](C)C1CCC2(COC2)CC1 ZINC001257900957 985301005 /nfs/dbraw/zinc/30/10/05/985301005.db2.gz RMUZOEPOFVZZTD-LLVKDONJSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H](CN)C[N@H+](C)C1CCC2(COC2)CC1 ZINC001257900958 985304525 /nfs/dbraw/zinc/30/45/25/985304525.db2.gz RMUZOEPOFVZZTD-NSHDSACASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)C1CCC2(COC2)CC1 ZINC001257900958 985304539 /nfs/dbraw/zinc/30/45/39/985304539.db2.gz RMUZOEPOFVZZTD-NSHDSACASA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC001578897775 985435808 /nfs/dbraw/zinc/43/58/08/985435808.db2.gz YQZHIAXYGKNBSX-QCLAVDOMSA-N 1 3 200.326 1.125 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001578897775 985435840 /nfs/dbraw/zinc/43/58/40/985435840.db2.gz YQZHIAXYGKNBSX-QCLAVDOMSA-N 1 3 200.326 1.125 20 0 BDADHO CCCC[NH+]1CCC(N[C@H]2COC[C@@H]2C)CC1 ZINC000688026633 985504467 /nfs/dbraw/zinc/50/44/67/985504467.db2.gz WASNEEUGQPWJDM-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](CN1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC001578908634 985507485 /nfs/dbraw/zinc/50/74/85/985507485.db2.gz BTZUPFODQLBBJK-UPJWGTAASA-N 1 3 224.348 1.225 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935841 985540939 /nfs/dbraw/zinc/54/09/39/985540939.db2.gz LHACVNJMVCAWTD-XWLWVQCSSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000688053434 985542095 /nfs/dbraw/zinc/54/20/95/985542095.db2.gz NUJGDQGUDAVCPG-VOAKCMCISA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000688053434 985542118 /nfs/dbraw/zinc/54/21/18/985542118.db2.gz NUJGDQGUDAVCPG-VOAKCMCISA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617383 985563934 /nfs/dbraw/zinc/56/39/34/985563934.db2.gz XBNNZRHVKKYSLG-YPMHNXCESA-N 1 3 236.363 1.367 20 0 BDADHO C[C@@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617383 985563950 /nfs/dbraw/zinc/56/39/50/985563950.db2.gz XBNNZRHVKKYSLG-YPMHNXCESA-N 1 3 236.363 1.367 20 0 BDADHO COCC1CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578986789 985613494 /nfs/dbraw/zinc/61/34/94/985613494.db2.gz PMTDFQBNVIKQMY-NGMURSQQSA-N 1 3 212.337 1.271 20 0 BDADHO c1cc(C2=C[NH2+]CCC2)cc2c1C1(CNC1)OC2 ZINC001243951579 985654725 /nfs/dbraw/zinc/65/47/25/985654725.db2.gz IFYWKKSAOKAUOT-UHFFFAOYSA-N 1 3 242.322 1.740 20 0 BDADHO COCC[C@H]([NH3+])CNC[C@H](C)c1ccncc1 ZINC001579002023 985655039 /nfs/dbraw/zinc/65/50/39/985655039.db2.gz NASZETDOYULYHV-AAEUAGOBSA-N 1 3 237.347 1.139 20 0 BDADHO COCC[C@H](N)C[NH2+]Cc1cccc(OC)c1 ZINC001579003588 985659885 /nfs/dbraw/zinc/65/98/85/985659885.db2.gz JHPRVYQQXADXMN-LBPRGKRZSA-N 1 3 238.331 1.149 20 0 BDADHO COc1ccc(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC001579209108 985818453 /nfs/dbraw/zinc/81/84/53/985818453.db2.gz IPYAOWTWPQIIBG-NEPJUHHUSA-N 1 3 249.358 1.348 20 0 BDADHO C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC001579354441 985853563 /nfs/dbraw/zinc/85/35/63/985853563.db2.gz CYMZYGPCAKSDDK-ZKVGZHBLSA-N 1 3 244.404 1.146 20 0 BDADHO C[C@@H](C[NH3+])NCC1(c2ccc3c(c2)OCO3)CC1 ZINC001579395250 985873107 /nfs/dbraw/zinc/87/31/07/985873107.db2.gz BZGWSYSBHPSMMU-JTQLQIEISA-N 1 3 248.326 1.384 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@@H](C)C1=O ZINC001579440087 985929066 /nfs/dbraw/zinc/92/90/66/985929066.db2.gz OBQCHXDQRLDQRW-UTUOFQBUSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1CC1(Cl)Cl ZINC001579459637 985947430 /nfs/dbraw/zinc/94/74/30/985947430.db2.gz NOEHEVCHRRDAEP-VGMNWLOBSA-N 1 3 237.174 1.625 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CCCC[C@H]1O ZINC001579454714 985946382 /nfs/dbraw/zinc/94/63/82/985946382.db2.gz XMGIJTUYPUXTQP-ZOBORPQBSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CNC[C@H]1CC1(Cl)Cl ZINC001579459636 985958838 /nfs/dbraw/zinc/95/88/38/985958838.db2.gz NOEHEVCHRRDAEP-HRDYMLBCSA-N 1 3 237.174 1.625 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@@H]1CCSC1)C2 ZINC001579473539 985982007 /nfs/dbraw/zinc/98/20/07/985982007.db2.gz DGSIIWZPHFQSJC-TUAOUCFPSA-N 1 3 226.389 1.281 20 0 BDADHO C[C@@]12CSC[C@@H]1C[N@H+](CC1(CN)CCC1)C2 ZINC001579475823 985988749 /nfs/dbraw/zinc/98/87/49/985988749.db2.gz VMUMLSCCWFFMDT-NWDGAFQWSA-N 1 3 240.416 1.800 20 0 BDADHO C[C@@]12CSC[C@@H]1C[N@@H+](CC1(CN)CCC1)C2 ZINC001579475823 985988763 /nfs/dbraw/zinc/98/87/63/985988763.db2.gz VMUMLSCCWFFMDT-NWDGAFQWSA-N 1 3 240.416 1.800 20 0 BDADHO C[C@H]1c2ccccc2C[C@H]1NC[C@@]1(O)CC[NH2+]C1 ZINC001579508246 986055301 /nfs/dbraw/zinc/05/53/01/986055301.db2.gz YWHPLSISCLPLOF-NILFDRSVSA-N 1 3 246.354 1.029 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1C ZINC001461832190 986188478 /nfs/dbraw/zinc/18/84/78/986188478.db2.gz VITPJPJLMMFDCT-RWMBFGLXSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C ZINC001461832190 986188503 /nfs/dbraw/zinc/18/85/03/986188503.db2.gz VITPJPJLMMFDCT-RWMBFGLXSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1cn(C)nc1CNC1CC2(CC([NH3+])C2)C1 ZINC001579819441 986240026 /nfs/dbraw/zinc/24/00/26/986240026.db2.gz WPPRRRYVZZCQJI-UHFFFAOYSA-N 1 3 234.347 1.088 20 0 BDADHO C[NH+](C)C[C@H]1CCN(C[C@]2(C)CCCCO2)C1 ZINC001462084305 986282485 /nfs/dbraw/zinc/28/24/85/986282485.db2.gz ZYIIXTPUGCUMDK-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO Cn1nc(CNC2CC3(C[C@@H]3[NH3+])C2)cc1C1CC1 ZINC001579994588 986394125 /nfs/dbraw/zinc/39/41/25/986394125.db2.gz ZWGNFFHPBSHLKZ-QRMWWUJWSA-N 1 3 246.358 1.267 20 0 BDADHO CCO[C@@H](CNCCSC(C)C)C[NH+](C)C ZINC001462573107 986430781 /nfs/dbraw/zinc/43/07/81/986430781.db2.gz KXLITFGAYAFAMF-LBPRGKRZSA-N 1 3 248.436 1.684 20 0 BDADHO C([NH2+]C[C@@H]1CN2CCC1CC2)[C@H]1CCSC1 ZINC001462634070 986471540 /nfs/dbraw/zinc/47/15/40/986471540.db2.gz GWLIHICNOJGNPI-DGCLKSJQSA-N 1 3 240.416 1.671 20 0 BDADHO NC1(CO)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC001580156918 986628038 /nfs/dbraw/zinc/62/80/38/986628038.db2.gz GQZJAECWDGWEJR-OLZOCXBDSA-N 1 3 238.375 1.208 20 0 BDADHO CN1CCC[C@@H]([NH+]2CCC3(COC3)CC2)CC1 ZINC001254516247 986649137 /nfs/dbraw/zinc/64/91/37/986649137.db2.gz LEXLYCAIBSHYSH-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO CO[C@@H]1CCC[C@H](N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000379782704 986680435 /nfs/dbraw/zinc/68/04/35/986680435.db2.gz GPSUYIVVVBSXFX-WRWGMCAJSA-N 1 3 212.337 1.366 20 0 BDADHO [NH3+]C[C@@]12CC[C@@H]1CCN2CC1=CCCC1 ZINC001580253037 986701237 /nfs/dbraw/zinc/70/12/37/986701237.db2.gz GCPOKINQCHOFLV-OLZOCXBDSA-N 1 3 206.333 1.910 20 0 BDADHO NC[C@@]12C[N@H+](CCc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580256687 986708200 /nfs/dbraw/zinc/70/82/00/986708200.db2.gz WYMBXYUZQYLQHQ-KBPBESRZSA-N 1 3 248.374 1.403 20 0 BDADHO NC[C@@]12C[N@@H+](CCc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580256687 986708206 /nfs/dbraw/zinc/70/82/06/986708206.db2.gz WYMBXYUZQYLQHQ-KBPBESRZSA-N 1 3 248.374 1.403 20 0 BDADHO NC[C@]12C[N@H+](CCn3ccnc3)C[C@@H]1CCCC2 ZINC001580256454 986710677 /nfs/dbraw/zinc/71/06/77/986710677.db2.gz ULPQVVXOOSYMTQ-UONOGXRCSA-N 1 3 248.374 1.334 20 0 BDADHO NC[C@]12C[N@@H+](CCn3ccnc3)C[C@@H]1CCCC2 ZINC001580256454 986710686 /nfs/dbraw/zinc/71/06/86/986710686.db2.gz ULPQVVXOOSYMTQ-UONOGXRCSA-N 1 3 248.374 1.334 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC001580430695 986848493 /nfs/dbraw/zinc/84/84/93/986848493.db2.gz VTGMMQFSHSQFNP-BGZDPUMWSA-N 1 3 238.253 1.176 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580430786 986848754 /nfs/dbraw/zinc/84/87/54/986848754.db2.gz ZPOXHQZKSCVOSD-NWBUJAPZSA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580430786 986848756 /nfs/dbraw/zinc/84/87/56/986848756.db2.gz ZPOXHQZKSCVOSD-NWBUJAPZSA-N 1 3 236.359 1.413 20 0 BDADHO CC(C)(C)[C@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246015277 987296895 /nfs/dbraw/zinc/29/68/95/987296895.db2.gz YKSXGKGFMHWXKP-OUAUKWLOSA-N 1 3 214.353 1.253 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246020203 987309282 /nfs/dbraw/zinc/30/92/82/987309282.db2.gz IJJYACPZOZEWAZ-QWHCGFSZSA-N 1 3 228.380 1.598 20 0 BDADHO CCC[C@H](O)C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246020203 987309290 /nfs/dbraw/zinc/30/92/90/987309290.db2.gz IJJYACPZOZEWAZ-QWHCGFSZSA-N 1 3 228.380 1.598 20 0 BDADHO CO[C@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693763493 987315253 /nfs/dbraw/zinc/31/52/53/987315253.db2.gz PLJSLOUCZBIQGI-WISYIIOYSA-N 1 3 226.364 1.388 20 0 BDADHO CC[NH+](CC)CCCNC(C)(C)CC(=O)OC ZINC000694036194 987318439 /nfs/dbraw/zinc/31/84/39/987318439.db2.gz OOJOROZKWOQFFX-UHFFFAOYSA-N 1 3 244.379 1.650 20 0 BDADHO C[C@@H](CC[NH2+]C[C@@H]1CCCOC1)N(C)C ZINC000697890544 987364750 /nfs/dbraw/zinc/36/47/50/987364750.db2.gz OJPGWABSMXGORX-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](Cc1cccnc1)NCC1([NH3+])CCCC1 ZINC001246077446 987366668 /nfs/dbraw/zinc/36/66/68/987366668.db2.gz WWJBQSWPMKJHFI-GFCCVEGCSA-N 1 3 233.359 1.874 20 0 BDADHO CC1(C)CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246081865 987376671 /nfs/dbraw/zinc/37/66/71/987376671.db2.gz JPQBORGBUGSHEH-NTZNESFSSA-N 1 3 244.354 1.217 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCNC[C@@H]2F)CC1 ZINC001246084683 987381798 /nfs/dbraw/zinc/38/17/98/987381798.db2.gz GJZNIFYVWPZWIJ-QWHCGFSZSA-N 1 3 243.370 1.149 20 0 BDADHO CCCCC[C@@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085309 987384280 /nfs/dbraw/zinc/38/42/80/987384280.db2.gz WGKIZOQXJASBDD-FRRDWIJNSA-N 1 3 246.370 1.607 20 0 BDADHO F[C@H]1CC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC001246090466 987393620 /nfs/dbraw/zinc/39/36/20/987393620.db2.gz XUJMXVSOQCWYIL-AOOOYVTPSA-N 1 3 200.301 1.609 20 0 BDADHO C1C[C@H]2CC(N[C@H]3CCCC[NH2+]C3)C[C@@H]1O2 ZINC001246093534 987401679 /nfs/dbraw/zinc/40/16/79/987401679.db2.gz XCHVZKUPQUPTAJ-WODVXLOZSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@H]([C@H](C)O)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001473379938 987408023 /nfs/dbraw/zinc/40/80/23/987408023.db2.gz NLQWWCTVDDKTRE-WOPDTQHZSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H]([C@H](C)O)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001473379938 987408032 /nfs/dbraw/zinc/40/80/32/987408032.db2.gz NLQWWCTVDDKTRE-WOPDTQHZSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H]([C@H](C)O)N1CCC[C@H]([NH+](C)C)CC1 ZINC001473379938 987408038 /nfs/dbraw/zinc/40/80/38/987408038.db2.gz NLQWWCTVDDKTRE-WOPDTQHZSA-N 1 3 214.353 1.172 20 0 BDADHO CC(C)COCC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246096822 987407913 /nfs/dbraw/zinc/40/79/13/987407913.db2.gz MWGLYBDRFOKHJZ-AVGNSLFASA-N 1 3 246.370 1.727 20 0 BDADHO CC(C)OCC[C@@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246096414 987410293 /nfs/dbraw/zinc/41/02/93/987410293.db2.gz MMWLLGQUMFNLOS-WOPDTQHZSA-N 1 3 232.343 1.480 20 0 BDADHO CC[C@H](C)OCC[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246103008 987429259 /nfs/dbraw/zinc/42/92/59/987429259.db2.gz XUKFDXXLACDIIX-WUHRBBMRSA-N 1 3 246.370 1.870 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1COC(C)(C)C1 ZINC001246118014 987464834 /nfs/dbraw/zinc/46/48/34/987464834.db2.gz DUBCJCGSPQBKCD-WOPDTQHZSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)CN1 ZINC001246155767 987519118 /nfs/dbraw/zinc/51/91/18/987519118.db2.gz XMKFBCXHYSYGRS-QWRGUYRKSA-N 1 3 242.363 1.448 20 0 BDADHO CNc1ccc(C[NH2+][C@H]2CCCNC2)cc1 ZINC001246169279 987532949 /nfs/dbraw/zinc/53/29/49/987532949.db2.gz CMRIPEROKKENGB-ZDUSSCGKSA-N 1 3 219.332 1.570 20 0 BDADHO c1coc(CSCC[NH2+]C2CCNCC2)c1 ZINC001246181702 987553225 /nfs/dbraw/zinc/55/32/25/987553225.db2.gz XCACSAKJXKPLBI-UHFFFAOYSA-N 1 3 240.372 1.854 20 0 BDADHO c1coc(CSCCNC2CC[NH2+]CC2)c1 ZINC001246181702 987553237 /nfs/dbraw/zinc/55/32/37/987553237.db2.gz XCACSAKJXKPLBI-UHFFFAOYSA-N 1 3 240.372 1.854 20 0 BDADHO CC(C)(CNC1CC[NH2+]CC1)c1cnccn1 ZINC001246195402 987584343 /nfs/dbraw/zinc/58/43/43/987584343.db2.gz RTKJDJRGMGBZET-UHFFFAOYSA-N 1 3 234.347 1.096 20 0 BDADHO C[C@@H]1C[C@H](n2nc(CN)c3ccccc32)CC[NH2+]1 ZINC001246203517 987600123 /nfs/dbraw/zinc/60/01/23/987600123.db2.gz WSLQGDSMTGBUJK-GHMZBOCLSA-N 1 3 244.342 1.808 20 0 BDADHO C[C@H]1CC[C@@H](NC[C@H]2C[C@H](F)C2)C[NH2+]1 ZINC001246217928 987616226 /nfs/dbraw/zinc/61/62/26/987616226.db2.gz NLQOQHHKYHBQKL-XWLWVQCSSA-N 1 3 200.301 1.465 20 0 BDADHO COC(=O)[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246205610 987603292 /nfs/dbraw/zinc/60/32/92/987603292.db2.gz QXUQJDIRYYJPBK-XYPYZODXSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2(CO)CCCC2)CCN1 ZINC001246206097 987604643 /nfs/dbraw/zinc/60/46/43/987604643.db2.gz XKWPIUBTJABGPX-WDEREUQCSA-N 1 3 212.337 1.022 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246210585 987606197 /nfs/dbraw/zinc/60/61/97/987606197.db2.gz JCJAFZJINCZHFL-VHDGCEQUSA-N 1 3 248.370 1.840 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CCN1 ZINC001246216825 987614042 /nfs/dbraw/zinc/61/40/42/987614042.db2.gz IYRNZLDJNGYRBY-NAKRPEOUSA-N 1 3 200.301 1.465 20 0 BDADHO Cn1cc2cccc(CNC3CC[NH2+]CC3)c2n1 ZINC001246219598 987618436 /nfs/dbraw/zinc/61/84/36/987618436.db2.gz YTLIKTYPFDJUOC-UHFFFAOYSA-N 1 3 244.342 1.415 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CCN1 ZINC001246222148 987620521 /nfs/dbraw/zinc/62/05/21/987620521.db2.gz LHVKJBGWSDHBDT-NDBYEHHHSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCC(=O)c2ccccc2)CN1 ZINC001246278122 987672450 /nfs/dbraw/zinc/67/24/50/987672450.db2.gz KICHCOQMGZSVID-OCCSQVGLSA-N 1 3 246.354 1.990 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246283015 987677991 /nfs/dbraw/zinc/67/79/91/987677991.db2.gz YDLHFUPTYDIEFY-WHOHXGKFSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC001246283015 987677994 /nfs/dbraw/zinc/67/79/94/987677994.db2.gz YDLHFUPTYDIEFY-WHOHXGKFSA-N 1 3 240.347 1.058 20 0 BDADHO CCOC(=O)CC[C@H](C)NCC[C@H](C)[NH3+] ZINC001246303901 987699955 /nfs/dbraw/zinc/69/99/55/987699955.db2.gz KFVDXOIYDRCBEX-UWVGGRQHSA-N 1 3 216.325 1.045 20 0 BDADHO O=C1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246307217 987704343 /nfs/dbraw/zinc/70/43/43/987704343.db2.gz KWDVMHFFYYTDKB-WSMDXJOWSA-N 1 3 222.332 1.371 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](C)Cc1ccncc1 ZINC001246312136 987714678 /nfs/dbraw/zinc/71/46/78/987714678.db2.gz GCQYYGVXCWHUAM-PWSUYJOCSA-N 1 3 207.321 1.340 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CCC[NH2+]C1 ZINC001246319640 987724447 /nfs/dbraw/zinc/72/44/47/987724447.db2.gz FPOUYBNQKYBHDU-GFCCVEGCSA-N 1 3 222.336 1.219 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CCC[NH2+]C1 ZINC001246319641 987725679 /nfs/dbraw/zinc/72/56/79/987725679.db2.gz FPOUYBNQKYBHDU-LBPRGKRZSA-N 1 3 222.336 1.219 20 0 BDADHO CC[C@@H](COC)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246336263 987728948 /nfs/dbraw/zinc/72/89/48/987728948.db2.gz NYUMJTYXCPLBNK-VWYCJHECSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@@H](COC)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246336263 987728952 /nfs/dbraw/zinc/72/89/52/987728952.db2.gz NYUMJTYXCPLBNK-VWYCJHECSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246407748 987788269 /nfs/dbraw/zinc/78/82/69/987788269.db2.gz ZJMYFCAULFHAJS-SRVKXCTJSA-N 1 3 241.379 1.138 20 0 BDADHO COC(=O)[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC001246442471 987797485 /nfs/dbraw/zinc/79/74/85/987797485.db2.gz JDIAUJDCTTUAAK-RYUDHWBXSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)[C@H]1CCCC[C@@H]1NC1CC[NH2+]CC1 ZINC001246442471 987797496 /nfs/dbraw/zinc/79/74/96/987797496.db2.gz JDIAUJDCTTUAAK-RYUDHWBXSA-N 1 3 240.347 1.060 20 0 BDADHO CCC1([NH2+]C2CCNCC2)CCOCC1 ZINC001246440017 987798007 /nfs/dbraw/zinc/79/80/07/987798007.db2.gz FSMSMKFQIUZGLT-UHFFFAOYSA-N 1 3 212.337 1.287 20 0 BDADHO C1=CO[C@H](C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001474735461 987814323 /nfs/dbraw/zinc/81/43/23/987814323.db2.gz PMKXLMDTNRQCTH-KGLIPLIRSA-N 1 3 236.359 1.611 20 0 BDADHO C[C@@]1([NH2+]C2CCNCC2)CC[C@@H](O)CC1 ZINC001246461600 987820522 /nfs/dbraw/zinc/82/05/22/987820522.db2.gz NFOSVIKEXVWOES-HAQNSBGRSA-N 1 3 212.337 1.022 20 0 BDADHO CN1CCC[C@@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507236 987861993 /nfs/dbraw/zinc/86/19/93/987861993.db2.gz LZAHDRAZHQJYMZ-ZIAGYGMSSA-N 1 3 233.359 1.370 20 0 BDADHO CC[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H](N)C2)C[C@H](CC)[NH2+]1 ZINC001246527247 987882165 /nfs/dbraw/zinc/88/21/65/987882165.db2.gz SYSWMJVBUCOKQH-MLGHIDQZSA-N 1 3 243.370 1.277 20 0 BDADHO CC(C)(C)[C@@H]1C[C@@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246532834 987889009 /nfs/dbraw/zinc/88/90/09/987889009.db2.gz KQFJLYIMQIDVML-BJDJZHNGSA-N 1 3 243.370 1.134 20 0 BDADHO CCCC[C@H]1C[C@@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246533759 987890630 /nfs/dbraw/zinc/89/06/30/987890630.db2.gz NZQQLHGNIDZUOT-CYDGBPFRSA-N 1 3 243.370 1.278 20 0 BDADHO C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CN ZINC001246542425 987910350 /nfs/dbraw/zinc/91/03/50/987910350.db2.gz PGGTYDIQUGJKQY-GJHMDTBVSA-N 1 3 224.348 1.223 20 0 BDADHO C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1CN ZINC001246542425 987910359 /nfs/dbraw/zinc/91/03/59/987910359.db2.gz PGGTYDIQUGJKQY-GJHMDTBVSA-N 1 3 224.348 1.223 20 0 BDADHO C[C@H]1C[N@@H+]([C@@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001246542522 987910508 /nfs/dbraw/zinc/91/05/08/987910508.db2.gz QBENWURXWAKFGV-NNYUYHANSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1C[N@H+]([C@@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001246542522 987910529 /nfs/dbraw/zinc/91/05/29/987910529.db2.gz QBENWURXWAKFGV-NNYUYHANSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543103 987911514 /nfs/dbraw/zinc/91/15/14/987911514.db2.gz TVLOEZJUKZTTEZ-SDDRHHMPSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543103 987911522 /nfs/dbraw/zinc/91/15/22/987911522.db2.gz TVLOEZJUKZTTEZ-SDDRHHMPSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1CC[N@@H+](C2CCNCC2)CC[C@@]1(C)O ZINC001246551184 987946219 /nfs/dbraw/zinc/94/62/19/987946219.db2.gz PPPVFLIZFUURMA-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CC[N@H+](C2CCNCC2)CC[C@@]1(C)O ZINC001246551184 987946234 /nfs/dbraw/zinc/94/62/34/987946234.db2.gz PPPVFLIZFUURMA-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO [NH3+]C[C@@H]1CN([C@@H]2CCCOCC2)CCC1(F)F ZINC001246553702 987963352 /nfs/dbraw/zinc/96/33/52/987963352.db2.gz BXTBTPLJROKTBQ-GHMZBOCLSA-N 1 3 248.317 1.471 20 0 BDADHO CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001321710573 987980521 /nfs/dbraw/zinc/98/05/21/987980521.db2.gz QEIQAEOBUTUDLV-VXGBXAGGSA-N 1 3 243.395 1.221 20 0 BDADHO C[C@@H]1CN([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246567663 988022715 /nfs/dbraw/zinc/02/27/15/988022715.db2.gz NJEJPQCEZOIWKV-PZWNZHSQSA-N 1 3 208.349 1.700 20 0 BDADHO C[NH2+][C@@H](C)CCNC(=O)c1ccc2c(c1)CNC2 ZINC001118204426 988106379 /nfs/dbraw/zinc/10/63/79/988106379.db2.gz BNYCQJXSAMCPRQ-JTQLQIEISA-N 1 3 247.342 1.018 20 0 BDADHO CC(C)CNCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC001118237982 988144247 /nfs/dbraw/zinc/14/42/47/988144247.db2.gz SCZMJPMGNRTQPH-VIFPVBQESA-N 1 3 224.308 1.240 20 0 BDADHO CC[C@@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588488 988157432 /nfs/dbraw/zinc/15/74/32/988157432.db2.gz ZSZKXBDZDYLCPH-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588488 988157445 /nfs/dbraw/zinc/15/74/45/988157445.db2.gz ZSZKXBDZDYLCPH-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246590333 988167550 /nfs/dbraw/zinc/16/75/50/988167550.db2.gz SKCKKNFFUBYMSJ-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246590333 988167560 /nfs/dbraw/zinc/16/75/60/988167560.db2.gz SKCKKNFFUBYMSJ-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590333 988167580 /nfs/dbraw/zinc/16/75/80/988167580.db2.gz SKCKKNFFUBYMSJ-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO CCCCC[C@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246640733 988351870 /nfs/dbraw/zinc/35/18/70/988351870.db2.gz GWNFNHWELXAZIY-UONOGXRCSA-N 1 3 239.407 1.593 20 0 BDADHO C1C[C@@H]2CC[N@@H+]([C@H]3CCCNC3)C[C@H]2C1 ZINC001246657448 988388350 /nfs/dbraw/zinc/38/83/50/988388350.db2.gz QMAHJCPQQJIMTA-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C1C[C@@H]2CC[N@H+]([C@H]3CCCNC3)C[C@H]2C1 ZINC001246657448 988388359 /nfs/dbraw/zinc/38/83/59/988388359.db2.gz QMAHJCPQQJIMTA-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806236 988490207 /nfs/dbraw/zinc/49/02/07/988490207.db2.gz HDVMBYIRCBFAOE-GMTAPVOTSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)CCN1 ZINC001246806236 988490218 /nfs/dbraw/zinc/49/02/18/988490218.db2.gz HDVMBYIRCBFAOE-GMTAPVOTSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)CCN1 ZINC001246806236 988490224 /nfs/dbraw/zinc/49/02/24/988490224.db2.gz HDVMBYIRCBFAOE-GMTAPVOTSA-N 1 3 230.302 1.858 20 0 BDADHO CC(C)[C@@H]1C[C@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246818236 988503050 /nfs/dbraw/zinc/50/30/50/988503050.db2.gz AYFGMXLJZCGCGT-NDBYEHHHSA-N 1 3 243.370 1.134 20 0 BDADHO C[C@@H]1C[C@H](N2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847509 988565998 /nfs/dbraw/zinc/56/59/98/988565998.db2.gz SOLFSBKGYUZOPK-TZMCWYRMSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@@H]1C[C@H]([NH+]2CCC(n3ccnc3)CC2)CCN1 ZINC001246847509 988566007 /nfs/dbraw/zinc/56/60/07/988566007.db2.gz SOLFSBKGYUZOPK-TZMCWYRMSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@H](Cc1cccnc1)[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246854949 988579636 /nfs/dbraw/zinc/57/96/36/988579636.db2.gz RNDDUGTVWUFNSA-KWCYVHTRSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1cccnc1)[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246854949 988579644 /nfs/dbraw/zinc/57/96/44/988579644.db2.gz RNDDUGTVWUFNSA-KWCYVHTRSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC(C(N)=S)CC2)CC[NH2+]1 ZINC001246901142 988664597 /nfs/dbraw/zinc/66/45/97/988664597.db2.gz ZBLMNLMGZCPRMK-KOLCDFICSA-N 1 3 241.404 1.125 20 0 BDADHO C[C@@H]1C[C@@H]([NH+]2CCC(C(N)=S)CC2)CCN1 ZINC001246901142 988664604 /nfs/dbraw/zinc/66/46/04/988664604.db2.gz ZBLMNLMGZCPRMK-KOLCDFICSA-N 1 3 241.404 1.125 20 0 BDADHO C[N@H+](CCO)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246911666 988697116 /nfs/dbraw/zinc/69/71/16/988697116.db2.gz IHPICQCMAQKWRM-LSDHHAIUSA-N 1 3 248.370 1.274 20 0 BDADHO C[N@@H+](CCO)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246911666 988697125 /nfs/dbraw/zinc/69/71/25/988697125.db2.gz IHPICQCMAQKWRM-LSDHHAIUSA-N 1 3 248.370 1.274 20 0 BDADHO CC(C)[N@H+](CCCCCO)[C@@H]1CCN[C@@H](C)C1 ZINC001246925067 988748790 /nfs/dbraw/zinc/74/87/90/988748790.db2.gz KULQREPLQKLFCQ-UONOGXRCSA-N 1 3 242.407 2.000 20 0 BDADHO CC(C)[N@@H+](CCCCCO)[C@@H]1CCN[C@@H](C)C1 ZINC001246925067 988748801 /nfs/dbraw/zinc/74/88/01/988748801.db2.gz KULQREPLQKLFCQ-UONOGXRCSA-N 1 3 242.407 2.000 20 0 BDADHO CC[C@@H]1C[C@@H](N2CCNC2)C[C@H](CC)[NH2+]1 ZINC001246997611 988832392 /nfs/dbraw/zinc/83/23/92/988832392.db2.gz WEXGDFCAPMHJIH-ZSBIGDGJSA-N 1 3 211.353 1.158 20 0 BDADHO C[C@@H](Cn1cccn1)NCC[C@H](C)[NH+](C)C ZINC001119449511 989080531 /nfs/dbraw/zinc/08/05/31/989080531.db2.gz ACBYUAUFVINFAA-RYUDHWBXSA-N 1 3 224.352 1.201 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H](F)C1 ZINC001119629796 989260732 /nfs/dbraw/zinc/26/07/32/989260732.db2.gz ATMMUILNTYNFRW-BJDJZHNGSA-N 1 3 214.328 1.997 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H](F)C1 ZINC001119629798 989262355 /nfs/dbraw/zinc/26/23/55/989262355.db2.gz ATMMUILNTYNFRW-QCNOEVLYSA-N 1 3 214.328 1.997 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H](F)C1 ZINC001119629802 989263844 /nfs/dbraw/zinc/26/38/44/989263844.db2.gz ATMMUILNTYNFRW-YFKTTZPYSA-N 1 3 214.328 1.997 20 0 BDADHO C[C@@]1(CN2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]C1 ZINC001326231872 989435169 /nfs/dbraw/zinc/43/51/69/989435169.db2.gz LKTXIZHUMORNRY-QNMSZWNNSA-N 1 3 238.375 1.079 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC001326688031 989652026 /nfs/dbraw/zinc/65/20/26/989652026.db2.gz MZZSKYQQHYKABO-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCCN1CCCC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC001326688131 989652663 /nfs/dbraw/zinc/65/26/63/989652663.db2.gz OYLQGKQWCWHIGD-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCC2(C[NH+](C)C2)CC1 ZINC001139099924 991147568 /nfs/dbraw/zinc/14/75/68/991147568.db2.gz AYMZLBBOEDRQEA-UHFFFAOYSA-N 1 3 248.374 1.554 20 0 BDADHO Cc1n[nH]c(C)c1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001139099924 991147581 /nfs/dbraw/zinc/14/75/81/991147581.db2.gz AYMZLBBOEDRQEA-UHFFFAOYSA-N 1 3 248.374 1.554 20 0 BDADHO COC(=O)CC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC001258345352 991271238 /nfs/dbraw/zinc/27/12/38/991271238.db2.gz IBLDAEZBZDMKQQ-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCSCC3)[C@H]2C1 ZINC001560623514 991522871 /nfs/dbraw/zinc/52/28/71/991522871.db2.gz ZPRGEOYSTALLFM-DRZSPHRISA-N 1 3 240.416 1.812 20 0 BDADHO CCC[NH2+][C@H](CC)CNC(=O)[C@@H](CC)N(C)C ZINC001318541993 991677967 /nfs/dbraw/zinc/67/79/67/991677967.db2.gz QJCVYHCPJHYAQH-VXGBXAGGSA-N 1 3 243.395 1.221 20 0 BDADHO CCC[NH+]1CCC(n2ccc([C@@H](C)N)n2)CC1 ZINC001258766864 991725107 /nfs/dbraw/zinc/72/51/07/991725107.db2.gz GXVXLLKCOMHWFT-LLVKDONJSA-N 1 3 236.363 1.950 20 0 BDADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]C(C)C)N(C)C ZINC001568180128 992143997 /nfs/dbraw/zinc/14/39/97/992143997.db2.gz LKZKVRZFDSBBHQ-VXGBXAGGSA-N 1 3 243.395 1.077 20 0 BDADHO CCCN(C)CC(=O)N(CC)CC[NH2+]C(C)C ZINC001568793514 992218864 /nfs/dbraw/zinc/21/88/64/992218864.db2.gz OECMAXGRKUXVMQ-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO COc1ccc(CN2CCC(C[NH3+])CC2)o1 ZINC001574030292 992799481 /nfs/dbraw/zinc/79/94/81/992799481.db2.gz HLYYDSVJCWHPIS-UHFFFAOYSA-N 1 3 224.304 1.459 20 0 BDADHO CC(C)(CN[C@H]1CCC[NH2+]C1)C1=CCOCC1 ZINC001575335006 993015525 /nfs/dbraw/zinc/01/55/25/993015525.db2.gz YPHRNPRJXTZXTO-ZDUSSCGKSA-N 1 3 238.375 1.701 20 0 BDADHO CC(C)COCCC[NH2+]CC12CC(C1)CN2 ZINC001575612044 993083004 /nfs/dbraw/zinc/08/30/04/993083004.db2.gz FEUFEXLBQLBYGM-UHFFFAOYSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@H]1C[C@H](N)C1 ZINC001575940935 993134567 /nfs/dbraw/zinc/13/45/67/993134567.db2.gz FDXIXJHOGIYPBB-DLOVCJGASA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H](CN)[N@H+](C)C[C@@]1(C)CCCCO1 ZINC001576004216 993154164 /nfs/dbraw/zinc/15/41/64/993154164.db2.gz AKKFZZXDSJCTAB-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H](CN)[N@@H+](C)C[C@@]1(C)CCCCO1 ZINC001576004216 993154168 /nfs/dbraw/zinc/15/41/68/993154168.db2.gz AKKFZZXDSJCTAB-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CC(C)OC[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001576040637 993165736 /nfs/dbraw/zinc/16/57/36/993165736.db2.gz KLSLOUMRLOPDHN-UTUOFQBUSA-N 1 3 214.353 1.245 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)N[C@H]1C[C@H]([NH3+])C1 ZINC001576053227 993167785 /nfs/dbraw/zinc/16/77/85/993167785.db2.gz UQIWTDLHYJBBOB-DLOVCJGASA-N 1 3 220.316 1.403 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H](N)C1 ZINC001576053227 993167790 /nfs/dbraw/zinc/16/77/90/993167790.db2.gz UQIWTDLHYJBBOB-DLOVCJGASA-N 1 3 220.316 1.403 20 0 BDADHO CC1(C)[C@H](NCC2(C3(O)CCC3)CC2)C[C@@H]1[NH3+] ZINC001576381631 993292314 /nfs/dbraw/zinc/29/23/14/993292314.db2.gz CDOBWKQJYLJRNC-WDEREUQCSA-N 1 3 238.375 1.397 20 0 BDADHO CC1(C)OC[C@H](CN[C@@H](C[NH3+])C2CCCC2)O1 ZINC001576495278 993321730 /nfs/dbraw/zinc/32/17/30/993321730.db2.gz MWUZTAVJSKJDRR-RYUDHWBXSA-N 1 3 242.363 1.245 20 0 BDADHO CC1(C)CN(C[C@]2(C)CC[NH2+]C2)[C@@H]2COC[C@@H]21 ZINC001576503968 993325400 /nfs/dbraw/zinc/32/54/00/993325400.db2.gz YXDZKLAJEAZFNR-OUCADQQQSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CCN1 ZINC001576623985 993374401 /nfs/dbraw/zinc/37/44/01/993374401.db2.gz NTTSYJCZQXZYJB-AUZPSNTRSA-N 1 3 248.374 1.254 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC000381323901 993385186 /nfs/dbraw/zinc/38/51/86/993385186.db2.gz QBRFFFWPUSBYNZ-AGIUHOORSA-N 1 3 228.380 1.730 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC000381323901 993385190 /nfs/dbraw/zinc/38/51/90/993385190.db2.gz QBRFFFWPUSBYNZ-AGIUHOORSA-N 1 3 228.380 1.730 20 0 BDADHO C[C@@H](Cc1ccno1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001576666276 993385811 /nfs/dbraw/zinc/38/58/11/993385811.db2.gz KMUWIAFXTIEWNF-VWYCJHECSA-N 1 3 223.320 1.336 20 0 BDADHO CN(C[C@H](O)C[NH2+]C(C)(C)C)C(C)(C)C ZINC000382167935 993443646 /nfs/dbraw/zinc/44/36/46/993443646.db2.gz USWCKLDSSBMEKZ-SNVBAGLBSA-N 1 3 216.369 1.466 20 0 BDADHO C[N@H+](C[C@H](O)CNC(C)(C)C)C(C)(C)C ZINC000382167935 993443647 /nfs/dbraw/zinc/44/36/47/993443647.db2.gz USWCKLDSSBMEKZ-SNVBAGLBSA-N 1 3 216.369 1.466 20 0 BDADHO C[N@@H+](C[C@H](O)CNC(C)(C)C)C(C)(C)C ZINC000382167935 993443649 /nfs/dbraw/zinc/44/36/49/993443649.db2.gz USWCKLDSSBMEKZ-SNVBAGLBSA-N 1 3 216.369 1.466 20 0 BDADHO CC[C@H](C)[C@@H](C(=O)OC)N1CCC(C[NH3+])CC1 ZINC001576966781 993472942 /nfs/dbraw/zinc/47/29/42/993472942.db2.gz LIINLVKZYKEKHA-JQWIXIFHSA-N 1 3 242.363 1.245 20 0 BDADHO CC[C@H]([NH3+])CNC[C@]1(C)CCCCO1 ZINC001577124940 993515054 /nfs/dbraw/zinc/51/50/54/993515054.db2.gz YOBJTTRNUDFBBJ-QWRGUYRKSA-N 1 3 200.326 1.273 20 0 BDADHO CC[C@H](NC[C@@H]([NH3+])CCOC)[C@@H]1CCCCO1 ZINC001577176217 993532654 /nfs/dbraw/zinc/53/26/54/993532654.db2.gz WGFWGMXWRYPSHV-AVGNSLFASA-N 1 3 244.379 1.288 20 0 BDADHO CC[C@@]1(O)CCC[N@H+](CC2(CN)CCC2)C1 ZINC001577233232 993552723 /nfs/dbraw/zinc/55/27/23/993552723.db2.gz GKYFVWOWHPOQKN-CYBMUJFWSA-N 1 3 226.364 1.352 20 0 BDADHO CC[C@@]1(O)CCC[N@@H+](CC2(CN)CCC2)C1 ZINC001577233232 993552731 /nfs/dbraw/zinc/55/27/31/993552731.db2.gz GKYFVWOWHPOQKN-CYBMUJFWSA-N 1 3 226.364 1.352 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+]CC2CNC2)CCO1 ZINC001577240875 993556516 /nfs/dbraw/zinc/55/65/16/993556516.db2.gz NSWLJSJQPWSIQR-PWSUYJOCSA-N 1 3 212.337 1.001 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001577401011 993646008 /nfs/dbraw/zinc/64/60/08/993646008.db2.gz UCGXZDSPRSZEHD-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001577401011 993646016 /nfs/dbraw/zinc/64/60/16/993646016.db2.gz UCGXZDSPRSZEHD-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CCCN(CC(=O)OCC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001577504508 993675012 /nfs/dbraw/zinc/67/50/12/993675012.db2.gz TXEDFIPURWGDST-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CCN1CC[C@H]([NH2+][C@H]2CCCN(C)CC2)C1 ZINC000389556276 993747834 /nfs/dbraw/zinc/74/78/34/993747834.db2.gz RQDSKVAODQWHBR-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)(CO)CCC[NH2+]C1CCNCC1 ZINC000393375365 993940516 /nfs/dbraw/zinc/94/05/16/993940516.db2.gz KNUVXHICAQFDBV-UHFFFAOYSA-N 1 3 214.353 1.127 20 0 BDADHO COc1ccc(CCN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000163173826 187322349 /nfs/dbraw/zinc/32/23/49/187322349.db2.gz UEDQHKLRBLINOO-GXTWGEPZSA-N 1 3 248.370 1.907 20 0 BDADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCCOC1 ZINC000161724326 349490371 /nfs/dbraw/zinc/49/03/71/349490371.db2.gz URTKQUKMKBXHKK-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]Cc1cnn2ccccc12 ZINC000071373292 398147817 /nfs/dbraw/zinc/14/78/17/398147817.db2.gz GHXSUOAMCOMZTO-GFCCVEGCSA-N 1 3 246.358 1.764 20 0 BDADHO C[C@H](N)C[N@@H+]1CCCc2ccccc2C1 ZINC000062944505 349502617 /nfs/dbraw/zinc/50/26/17/349502617.db2.gz AWVFWDVKAYHZNO-NSHDSACASA-N 1 3 204.317 1.782 20 0 BDADHO C[C@H](N)C[N@H+]1CCCc2ccccc2C1 ZINC000062944505 349502619 /nfs/dbraw/zinc/50/26/19/349502619.db2.gz AWVFWDVKAYHZNO-NSHDSACASA-N 1 3 204.317 1.782 20 0 BDADHO Cc1cc(CNCCOCC[NH+](C)C)cs1 ZINC000336662677 178022507 /nfs/dbraw/zinc/02/25/07/178022507.db2.gz OSMLQMCYNRLKGW-UHFFFAOYSA-N 1 3 242.388 1.724 20 0 BDADHO C[C@@H](N[C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023512 398163117 /nfs/dbraw/zinc/16/31/17/398163117.db2.gz JUFWMLGWHQZWCL-MFKMUULPSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]([NH2+][C@H](CO)CC1CCCC1)C1CNC1 ZINC000423023512 398163119 /nfs/dbraw/zinc/16/31/19/398163119.db2.gz JUFWMLGWHQZWCL-MFKMUULPSA-N 1 3 226.364 1.125 20 0 BDADHO OC[C@H](CC1CCCC1)[NH2+]C1CCNCC1 ZINC000423023528 398163479 /nfs/dbraw/zinc/16/34/79/398163479.db2.gz JWTBHVGYIBFLID-ZDUSSCGKSA-N 1 3 226.364 1.269 20 0 BDADHO OC[C@H](CC1CCCC1)NC1CC[NH2+]CC1 ZINC000423023528 398163483 /nfs/dbraw/zinc/16/34/83/398163483.db2.gz JWTBHVGYIBFLID-ZDUSSCGKSA-N 1 3 226.364 1.269 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000379761277 398165039 /nfs/dbraw/zinc/16/50/39/398165039.db2.gz DSOJHEDKXKBNDA-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000379761277 398165040 /nfs/dbraw/zinc/16/50/40/398165040.db2.gz DSOJHEDKXKBNDA-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000379761277 398165043 /nfs/dbraw/zinc/16/50/43/398165043.db2.gz DSOJHEDKXKBNDA-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994612 398194594 /nfs/dbraw/zinc/19/45/94/398194594.db2.gz FLRNHPDQNYKINU-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)OC ZINC000385994612 398194595 /nfs/dbraw/zinc/19/45/95/398194595.db2.gz FLRNHPDQNYKINU-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cc(N2CC[C@H]3CCN(C)C[C@@H]32)cc[nH+]1 ZINC000274814450 178119946 /nfs/dbraw/zinc/11/99/46/178119946.db2.gz YSVSNVOVMJPPAQ-OCCSQVGLSA-N 1 3 231.343 1.920 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000069724524 398213516 /nfs/dbraw/zinc/21/35/16/398213516.db2.gz FDYCDIQGHIIYFD-RWMBFGLXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000069724524 398213517 /nfs/dbraw/zinc/21/35/17/398213517.db2.gz FDYCDIQGHIIYFD-RWMBFGLXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331928370 187327948 /nfs/dbraw/zinc/32/79/48/187327948.db2.gz HIHPMLLRVYVKAJ-FIQHERPVSA-N 1 3 214.353 1.395 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CCc1cn[nH]c1 ZINC000380969872 398215229 /nfs/dbraw/zinc/21/52/29/398215229.db2.gz FGYNNSCZUZBYHS-LBPRGKRZSA-N 1 3 224.352 1.257 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@]1(CC)CO ZINC000191895048 361776406 /nfs/dbraw/zinc/77/64/06/361776406.db2.gz ZOHRRTDLSRIREZ-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@]1(CC)CO ZINC000191895048 361776411 /nfs/dbraw/zinc/77/64/11/361776411.db2.gz ZOHRRTDLSRIREZ-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@@]1(CC)CO ZINC000191895048 361776418 /nfs/dbraw/zinc/77/64/18/361776418.db2.gz ZOHRRTDLSRIREZ-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CC[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430764836 398230771 /nfs/dbraw/zinc/23/07/71/398230771.db2.gz UDIVDUDBZVDEGY-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430764836 398230775 /nfs/dbraw/zinc/23/07/75/398230775.db2.gz UDIVDUDBZVDEGY-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000381168023 398231416 /nfs/dbraw/zinc/23/14/16/398231416.db2.gz SUMHOQSWQVGLOW-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@H](COC)NC1CC[NH+](CC2CC2)CC1 ZINC000165619429 538936230 /nfs/dbraw/zinc/93/62/30/538936230.db2.gz KEMPFTCBNPYIFX-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CCC[C@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000092630087 398235623 /nfs/dbraw/zinc/23/56/23/398235623.db2.gz WNOFEWCRYPRBHQ-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)CC[C@@H]1C ZINC000380144997 488175408 /nfs/dbraw/zinc/17/54/08/488175408.db2.gz HDYLLEYHSVZEBB-HZSPNIEDSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](C)CC[C@@H]1C ZINC000380144997 488175413 /nfs/dbraw/zinc/17/54/13/488175413.db2.gz HDYLLEYHSVZEBB-HZSPNIEDSA-N 1 3 242.407 1.808 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000381273171 398249530 /nfs/dbraw/zinc/24/95/30/398249530.db2.gz IJHMPWCEXWXBQZ-RNJOBUHISA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)[C@H]1CN(C[C@H]2CC[NH2+]C2)CCS1 ZINC000390756815 398247319 /nfs/dbraw/zinc/24/73/19/398247319.db2.gz IIYBACMEANFYOM-NWDGAFQWSA-N 1 3 228.405 1.669 20 0 BDADHO N[C@H]1Cc2ccccc2N(C(=O)CCCC[NH3+])C1 ZINC000576705975 365665885 /nfs/dbraw/zinc/66/58/85/365665885.db2.gz XKKGMCGMHAQPGU-LBPRGKRZSA-N 1 3 247.342 1.032 20 0 BDADHO Cc1cc(C)n(CCN2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000386834918 398266287 /nfs/dbraw/zinc/26/62/87/398266287.db2.gz WOUCKRLHLWSFTN-WCQYABFASA-N 1 3 236.363 1.169 20 0 BDADHO CCOC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166565535 361853806 /nfs/dbraw/zinc/85/38/06/361853806.db2.gz DYGUCPCWRHIMJA-LBPRGKRZSA-N 1 3 216.369 1.731 20 0 BDADHO OCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000183231794 538965975 /nfs/dbraw/zinc/96/59/75/538965975.db2.gz IBBWNTPQGNSYEY-OLZOCXBDSA-N 1 3 238.375 1.365 20 0 BDADHO OCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000183231794 538965977 /nfs/dbraw/zinc/96/59/77/538965977.db2.gz IBBWNTPQGNSYEY-OLZOCXBDSA-N 1 3 238.375 1.365 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)C1 ZINC000389206769 398306385 /nfs/dbraw/zinc/30/63/85/398306385.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000389206769 398306388 /nfs/dbraw/zinc/30/63/88/398306388.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000389206769 398306389 /nfs/dbraw/zinc/30/63/89/398306389.db2.gz ZWWHCZLTSGVBCP-ZOBORPQBSA-N 1 3 239.407 1.399 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC12CCOCC2 ZINC000683525950 488186307 /nfs/dbraw/zinc/18/63/07/488186307.db2.gz NKKDAKGCFBYUSG-CYBMUJFWSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC12CCOCC2 ZINC000683525950 488186310 /nfs/dbraw/zinc/18/63/10/488186310.db2.gz NKKDAKGCFBYUSG-CYBMUJFWSA-N 1 3 238.375 1.726 20 0 BDADHO C[C@H](C(=O)NCCCC[NH3+])N1CCCCCC1 ZINC000237391489 398333869 /nfs/dbraw/zinc/33/38/69/398333869.db2.gz VYIWYJIDZXCVJW-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO C(C1CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916576 398335172 /nfs/dbraw/zinc/33/51/72/398335172.db2.gz UEOSLVOQZQCYDK-OLZOCXBDSA-N 1 3 208.349 1.860 20 0 BDADHO C([C@@H]1CCOC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916059 398335246 /nfs/dbraw/zinc/33/52/46/398335246.db2.gz NZGKLXVHEHVFJR-MJBXVCDLSA-N 1 3 238.375 1.487 20 0 BDADHO COC[C@@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000678079369 488191892 /nfs/dbraw/zinc/19/18/92/488191892.db2.gz VUFSYBMGWXZILN-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO COC[C@@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000678079369 488191893 /nfs/dbraw/zinc/19/18/93/488191893.db2.gz VUFSYBMGWXZILN-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO COCC1([N@H+](C)CC[C@@H]2CCCN2C)CC1 ZINC000678084512 488194128 /nfs/dbraw/zinc/19/41/28/488194128.db2.gz XTAAGHMBWZJNPN-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO COCC1([N@@H+](C)CC[C@@H]2CCCN2C)CC1 ZINC000678084512 488194132 /nfs/dbraw/zinc/19/41/32/488194132.db2.gz XTAAGHMBWZJNPN-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO C([NH2+][C@H]1CCCNCC1)C1CCSCC1 ZINC000229218681 187229185 /nfs/dbraw/zinc/22/91/85/187229185.db2.gz PBGOVFXIQOLJJQ-LBPRGKRZSA-N 1 3 228.405 1.861 20 0 BDADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCc1ccncc1 ZINC000576834443 365699537 /nfs/dbraw/zinc/69/95/37/365699537.db2.gz LCCSOBDYMVZVSV-JSGCOSHPSA-N 1 3 233.359 1.826 20 0 BDADHO COC[C@@H](C)C[NH2+]CC1=CCN(C)CC1 ZINC000379927848 365738861 /nfs/dbraw/zinc/73/88/61/365738861.db2.gz MNXCMHBUXCOMOQ-NSHDSACASA-N 1 3 212.337 1.120 20 0 BDADHO CC(C)[C@H](O)C[NH+]1CCC(N(C)C)CC1 ZINC000087538128 136281859 /nfs/dbraw/zinc/28/18/59/136281859.db2.gz NEEIRKZCFZEFLE-GFCCVEGCSA-N 1 3 214.353 1.029 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000348757022 136297804 /nfs/dbraw/zinc/29/78/04/136297804.db2.gz SLPZSTJSJRYDPJ-DGCLKSJQSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCCN1CCC([NH3+])CC1 ZINC000348757004 136297842 /nfs/dbraw/zinc/29/78/42/136297842.db2.gz RVXIVVMHJJSKJK-UHFFFAOYSA-N 1 3 222.336 1.005 20 0 BDADHO Cc1ncsc1CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166217376 136309888 /nfs/dbraw/zinc/30/98/88/136309888.db2.gz PXALRNXZOUZEDC-MWLCHTKSSA-N 1 3 239.388 1.663 20 0 BDADHO CN(C[C@H]1CCCOC1)CC(C)(C)C[NH3+] ZINC000082545354 343447055 /nfs/dbraw/zinc/44/70/55/343447055.db2.gz HCIPTUWNFSNUPE-LLVKDONJSA-N 1 3 214.353 1.330 20 0 BDADHO [NH3+]CCCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000580549523 365750650 /nfs/dbraw/zinc/75/06/50/365750650.db2.gz QKORWTNFBBDDLH-UHFFFAOYSA-N 1 3 233.315 1.010 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000379621692 343585865 /nfs/dbraw/zinc/58/58/65/343585865.db2.gz GFJWXSHIRCTXHE-ZJUUUORDSA-N 1 3 212.362 1.864 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)Cc1ccsc1 ZINC000379621692 343585868 /nfs/dbraw/zinc/58/58/68/343585868.db2.gz GFJWXSHIRCTXHE-ZJUUUORDSA-N 1 3 212.362 1.864 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000086404228 343618624 /nfs/dbraw/zinc/61/86/24/343618624.db2.gz JYLUWAJBZNVSSS-NWDGAFQWSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000179243085 346977327 /nfs/dbraw/zinc/97/73/27/346977327.db2.gz WSHGXOGVRNIDLX-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000179243085 346977328 /nfs/dbraw/zinc/97/73/28/346977328.db2.gz WSHGXOGVRNIDLX-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CC(C)CSCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000393787603 343928357 /nfs/dbraw/zinc/92/83/57/343928357.db2.gz WIKATAGIEKTILY-STQMWFEESA-N 1 3 242.432 1.917 20 0 BDADHO CCOC[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732285 344106761 /nfs/dbraw/zinc/10/67/61/344106761.db2.gz CFCRNJQRPVZLGE-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](N)CC ZINC000131651450 344319418 /nfs/dbraw/zinc/31/94/18/344319418.db2.gz SXAGBGLHGJYPPC-NSHDSACASA-N 1 3 235.331 1.472 20 0 BDADHO C[C@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000141877996 344326823 /nfs/dbraw/zinc/32/68/23/344326823.db2.gz OZNXKLKFHKOIKP-VIFPVBQESA-N 1 3 214.353 1.266 20 0 BDADHO C[C@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000141877996 344326826 /nfs/dbraw/zinc/32/68/26/344326826.db2.gz OZNXKLKFHKOIKP-VIFPVBQESA-N 1 3 214.353 1.266 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CCCCC(=O)OC)C1 ZINC000600700657 344359549 /nfs/dbraw/zinc/35/95/49/344359549.db2.gz DOCIJYCCAYWIQJ-LBPRGKRZSA-N 1 3 242.363 1.261 20 0 BDADHO COC(=O)CCCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000600708212 344361238 /nfs/dbraw/zinc/36/12/38/344361238.db2.gz DOAJRFRZNZYDBU-VXGBXAGGSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000600708212 344361240 /nfs/dbraw/zinc/36/12/40/344361240.db2.gz DOAJRFRZNZYDBU-VXGBXAGGSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000600708212 344361242 /nfs/dbraw/zinc/36/12/42/344361242.db2.gz DOAJRFRZNZYDBU-VXGBXAGGSA-N 1 3 242.363 1.246 20 0 BDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](N)C(C)C ZINC000037001262 344485138 /nfs/dbraw/zinc/48/51/38/344485138.db2.gz HEDFQGSHYVOUPK-NEPJUHHUSA-N 1 3 243.395 1.062 20 0 BDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](N)C(C)C ZINC000037001261 344485201 /nfs/dbraw/zinc/48/52/01/344485201.db2.gz HEDFQGSHYVOUPK-RYUDHWBXSA-N 1 3 243.395 1.062 20 0 BDADHO COc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000158320391 344592414 /nfs/dbraw/zinc/59/24/14/344592414.db2.gz RSKIEALDYQIGPV-NSHDSACASA-N 1 3 249.358 1.649 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000578231067 344737231 /nfs/dbraw/zinc/73/72/31/344737231.db2.gz AEDQRHWVDJWZBH-CHWSQXEVSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)nc1 ZINC000578231067 344737232 /nfs/dbraw/zinc/73/72/32/344737232.db2.gz AEDQRHWVDJWZBH-CHWSQXEVSA-N 1 3 248.374 1.435 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075834812 344792944 /nfs/dbraw/zinc/79/29/44/344792944.db2.gz PLGBROANGWLKFG-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075834812 344792945 /nfs/dbraw/zinc/79/29/45/344792945.db2.gz PLGBROANGWLKFG-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@@H](C)COC ZINC000153343897 344852434 /nfs/dbraw/zinc/85/24/34/344852434.db2.gz LIZCINSYYSJKEX-GFCCVEGCSA-N 1 3 216.369 1.590 20 0 BDADHO Cc1noc(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310884623 344888826 /nfs/dbraw/zinc/88/88/26/344888826.db2.gz SFELLTXUXVPWJZ-BETUJISGSA-N 1 3 249.358 1.723 20 0 BDADHO C[C@@H](NCCCCCO)[C@H]1CCCC[NH2+]1 ZINC000386580824 344907226 /nfs/dbraw/zinc/90/72/26/344907226.db2.gz OSOPVGPUDPUDOY-VXGBXAGGSA-N 1 3 214.353 1.269 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)N(C)C ZINC000338970428 537873598 /nfs/dbraw/zinc/87/35/98/537873598.db2.gz SWNVKMDIXUOTFC-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO Cc1cc(N)cc(CNC[C@H](C[NH3+])C(C)C)c1 ZINC000634995531 345184943 /nfs/dbraw/zinc/18/49/43/345184943.db2.gz HOICNQFKGPWXSC-ZDUSSCGKSA-N 1 3 235.375 1.898 20 0 BDADHO C[C@H](CCCO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156154667 345132941 /nfs/dbraw/zinc/13/29/41/345132941.db2.gz INLSAKPEGBTRDC-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156154667 345132942 /nfs/dbraw/zinc/13/29/42/345132942.db2.gz INLSAKPEGBTRDC-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156154667 345132945 /nfs/dbraw/zinc/13/29/45/345132945.db2.gz INLSAKPEGBTRDC-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)[C@@H](C[NH3+])CN[C@H]1CNc2ccccc2C1 ZINC000634996319 345187593 /nfs/dbraw/zinc/18/75/93/345187593.db2.gz GPIZFRNKBWPMRM-UONOGXRCSA-N 1 3 247.386 1.844 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+][C@H]1CNc2ccccc2C1 ZINC000634996319 345187597 /nfs/dbraw/zinc/18/75/97/345187597.db2.gz GPIZFRNKBWPMRM-UONOGXRCSA-N 1 3 247.386 1.844 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCOCc1ccccc1 ZINC000390231661 259383162 /nfs/dbraw/zinc/38/31/62/259383162.db2.gz HPEZCYLLVQGAEB-HUUCEWRRSA-N 1 3 248.370 1.920 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390231661 259383163 /nfs/dbraw/zinc/38/31/63/259383163.db2.gz HPEZCYLLVQGAEB-HUUCEWRRSA-N 1 3 248.370 1.920 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CN)[C@H](C)C2)cn1 ZINC000634998099 345197365 /nfs/dbraw/zinc/19/73/65/345197365.db2.gz APYCSGJCLUQZTL-IUODEOHRSA-N 1 3 247.386 1.849 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@@H](CN)[C@H](C)C2)cn1 ZINC000634998099 345197367 /nfs/dbraw/zinc/19/73/67/345197367.db2.gz APYCSGJCLUQZTL-IUODEOHRSA-N 1 3 247.386 1.849 20 0 BDADHO Cc1ccc(CCCN2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000634998099 345197369 /nfs/dbraw/zinc/19/73/69/345197369.db2.gz APYCSGJCLUQZTL-IUODEOHRSA-N 1 3 247.386 1.849 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000635004526 345207775 /nfs/dbraw/zinc/20/77/75/345207775.db2.gz IQOKZTVMCKJFSC-QUARPLMYSA-N 1 3 200.326 1.268 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004899 345208677 /nfs/dbraw/zinc/20/86/77/345208677.db2.gz RDNBXRZWXCQHGL-RVMXOQNASA-N 1 3 238.375 1.661 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012717 345215237 /nfs/dbraw/zinc/21/52/37/345215237.db2.gz VKCMSLOWLVBRKI-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012717 345215240 /nfs/dbraw/zinc/21/52/40/345215240.db2.gz VKCMSLOWLVBRKI-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)N1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000675054276 537894140 /nfs/dbraw/zinc/89/41/40/537894140.db2.gz PITNSCGGAJVDAM-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NC1CC(F)(F)C1 ZINC000309100726 187308585 /nfs/dbraw/zinc/30/85/85/187308585.db2.gz FOSWSSSKCRLGAS-WPRPVWTQSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NC1CC(F)(F)C1 ZINC000309100726 187308586 /nfs/dbraw/zinc/30/85/86/187308586.db2.gz FOSWSSSKCRLGAS-WPRPVWTQSA-N 1 3 218.291 1.714 20 0 BDADHO OC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979903 345769038 /nfs/dbraw/zinc/76/90/38/345769038.db2.gz KIQNOLREJAFVAF-NWDGAFQWSA-N 1 3 224.348 1.118 20 0 BDADHO OC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979903 345769039 /nfs/dbraw/zinc/76/90/39/345769039.db2.gz KIQNOLREJAFVAF-NWDGAFQWSA-N 1 3 224.348 1.118 20 0 BDADHO CC[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159984871 345770734 /nfs/dbraw/zinc/77/07/34/345770734.db2.gz UJDVILIIVPKLJE-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159984871 345770736 /nfs/dbraw/zinc/77/07/36/345770736.db2.gz UJDVILIIVPKLJE-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000159984871 345770737 /nfs/dbraw/zinc/77/07/37/345770737.db2.gz UJDVILIIVPKLJE-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000250346115 537920832 /nfs/dbraw/zinc/92/08/32/537920832.db2.gz QLNCLPXQOMMNJI-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000234893316 537931346 /nfs/dbraw/zinc/93/13/46/537931346.db2.gz ZKHYSUYSCUDEHC-OLZOCXBDSA-N 1 3 244.379 1.112 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)NCC1(C)CC1 ZINC000641771017 362708955 /nfs/dbraw/zinc/70/89/55/362708955.db2.gz BKLUKFZAZHXHFU-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H]1CN(CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641797614 362744317 /nfs/dbraw/zinc/74/43/17/362744317.db2.gz DLHCSSIWFIUFHZ-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CCC(C)(C)[N@@H+]1CCN1CCNCC1 ZINC000641800232 362750284 /nfs/dbraw/zinc/75/02/84/362750284.db2.gz AAUISFHFVQCAQN-GFCCVEGCSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@@H]1CCC(C)(C)[N@H+]1CCN1CCNCC1 ZINC000641800232 362750290 /nfs/dbraw/zinc/75/02/90/362750290.db2.gz AAUISFHFVQCAQN-GFCCVEGCSA-N 1 3 225.380 1.155 20 0 BDADHO Cc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])o1 ZINC000580708732 346504973 /nfs/dbraw/zinc/50/49/73/346504973.db2.gz QGQGJEGRVHWKBG-NXEZZACHSA-N 1 3 210.321 1.846 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)C1(C)C)C1CCCC1 ZINC000641801320 362755049 /nfs/dbraw/zinc/75/50/49/362755049.db2.gz PUQORTUUBMSLCU-FRRDWIJNSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801320 362755053 /nfs/dbraw/zinc/75/50/53/362755053.db2.gz PUQORTUUBMSLCU-FRRDWIJNSA-N 1 3 240.391 1.907 20 0 BDADHO CCCCNC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000641803009 362759573 /nfs/dbraw/zinc/75/95/73/362759573.db2.gz QWOFEEKPLVOOHY-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000641802782 362760000 /nfs/dbraw/zinc/76/00/00/362760000.db2.gz OUGRQEDZDLZSBN-RYUDHWBXSA-N 1 3 219.332 1.484 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000187865682 346635644 /nfs/dbraw/zinc/63/56/44/346635644.db2.gz RDRKDGINXGQPTI-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO CCN1CC[C@H]([NH2+]CC(C)(C)N(C)C)[C@@H](C)C1 ZINC000345237797 365836727 /nfs/dbraw/zinc/83/67/27/365836727.db2.gz QQFMOCPIFYZJDS-STQMWFEESA-N 1 3 241.423 1.647 20 0 BDADHO C[N@H+](C[C@H](O)CN[C@@H]1C=CCCC1)C1CC1 ZINC000562991448 346718428 /nfs/dbraw/zinc/71/84/28/346718428.db2.gz OSBCUJZMHGJAFR-DGCLKSJQSA-N 1 3 224.348 1.140 20 0 BDADHO C[N@@H+](C[C@H](O)CN[C@@H]1C=CCCC1)C1CC1 ZINC000562991448 346718430 /nfs/dbraw/zinc/71/84/30/346718430.db2.gz OSBCUJZMHGJAFR-DGCLKSJQSA-N 1 3 224.348 1.140 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)C[C@H](C)O1 ZINC000300421191 346745428 /nfs/dbraw/zinc/74/54/28/346745428.db2.gz IUSZZZWRXHIJKP-CLLJXQQHSA-N 1 3 244.379 1.110 20 0 BDADHO N[C@@H]1CCCCC[N@H+](CCc2cn[nH]c2)C1 ZINC000641824655 362774226 /nfs/dbraw/zinc/77/42/26/362774226.db2.gz WPAIVGVSPBWREI-GFCCVEGCSA-N 1 3 222.336 1.156 20 0 BDADHO N[C@@H]1CCCCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000641824655 362774228 /nfs/dbraw/zinc/77/42/28/362774228.db2.gz WPAIVGVSPBWREI-GFCCVEGCSA-N 1 3 222.336 1.156 20 0 BDADHO CCOC[C@@H](C)NCCC[NH2+]C1CC1 ZINC000382550291 347355525 /nfs/dbraw/zinc/35/55/25/347355525.db2.gz UCVVXXNLLZIMPP-SNVBAGLBSA-N 1 3 200.326 1.143 20 0 BDADHO CCOC[C@@H](C)[NH2+]CCCNC1CC1 ZINC000382550291 347355528 /nfs/dbraw/zinc/35/55/28/347355528.db2.gz UCVVXXNLLZIMPP-SNVBAGLBSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000577214580 365884707 /nfs/dbraw/zinc/88/47/07/365884707.db2.gz MWKWSTSLWVTUFI-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO c1cnn(CCCCCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591373867 347649864 /nfs/dbraw/zinc/64/98/64/347649864.db2.gz HBHUNXIJXFGNDX-OKILXGFUSA-N 1 3 248.374 1.205 20 0 BDADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCCCF ZINC000308458244 347669669 /nfs/dbraw/zinc/66/96/69/347669669.db2.gz FMBDFVUGSULKIB-QWRGUYRKSA-N 1 3 202.317 1.938 20 0 BDADHO CSCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000591567852 347670826 /nfs/dbraw/zinc/67/08/26/347670826.db2.gz YHYMARVCFSCTQW-UWVGGRQHSA-N 1 3 202.367 1.599 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000082594521 348003768 /nfs/dbraw/zinc/00/37/68/348003768.db2.gz GXAVJCHAUOUYQP-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000082594521 348003769 /nfs/dbraw/zinc/00/37/69/348003769.db2.gz GXAVJCHAUOUYQP-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496853 362921115 /nfs/dbraw/zinc/92/11/15/362921115.db2.gz NJQVJLCYKATMGS-NWDGAFQWSA-N 1 3 228.380 1.874 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496853 362921121 /nfs/dbraw/zinc/92/11/21/362921121.db2.gz NJQVJLCYKATMGS-NWDGAFQWSA-N 1 3 228.380 1.874 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000388379699 349998436 /nfs/dbraw/zinc/99/84/36/349998436.db2.gz KKXHUTYZBHQHRC-NEPJUHHUSA-N 1 3 214.353 1.663 20 0 BDADHO CCSC1(CN[C@H](C)C2C[NH2+]C2)CC1 ZINC000596651349 348606244 /nfs/dbraw/zinc/60/62/44/348606244.db2.gz NFELBIUKJLXCSM-SECBINFHSA-N 1 3 214.378 1.470 20 0 BDADHO CCSC1(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000596651349 348606247 /nfs/dbraw/zinc/60/62/47/348606247.db2.gz NFELBIUKJLXCSM-SECBINFHSA-N 1 3 214.378 1.470 20 0 BDADHO CSCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000596653048 348606868 /nfs/dbraw/zinc/60/68/68/348606868.db2.gz YZXRTFQVUOTSBZ-IJLUTSLNSA-N 1 3 244.404 1.096 20 0 BDADHO COc1ccc(CCN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000234951818 191000638 /nfs/dbraw/zinc/00/06/38/191000638.db2.gz YMJMMKNKJJOSLC-HNNXBMFYSA-N 1 3 248.370 1.908 20 0 BDADHO COc1ccc(CC[N@@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000234951818 191000641 /nfs/dbraw/zinc/00/06/41/191000641.db2.gz YMJMMKNKJJOSLC-HNNXBMFYSA-N 1 3 248.370 1.908 20 0 BDADHO COc1ccc(CC[N@H+]2CC[C@@](C)(CN)C2)cc1 ZINC000234951818 191000644 /nfs/dbraw/zinc/00/06/44/191000644.db2.gz YMJMMKNKJJOSLC-HNNXBMFYSA-N 1 3 248.370 1.908 20 0 BDADHO COC(=O)C(C)(C)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000602019523 349419089 /nfs/dbraw/zinc/41/90/89/349419089.db2.gz FXJQOEPKARUAAI-GHMZBOCLSA-N 1 3 242.363 1.102 20 0 BDADHO COC(=O)C(C)(C)CC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000602019523 349419093 /nfs/dbraw/zinc/41/90/93/349419093.db2.gz FXJQOEPKARUAAI-GHMZBOCLSA-N 1 3 242.363 1.102 20 0 BDADHO COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000602019523 349419096 /nfs/dbraw/zinc/41/90/96/349419096.db2.gz FXJQOEPKARUAAI-GHMZBOCLSA-N 1 3 242.363 1.102 20 0 BDADHO CCOC[C@@H](C)[NH2+]CCCN(CC)CC ZINC000131451024 191015053 /nfs/dbraw/zinc/01/50/53/191015053.db2.gz YSFQSBUDUPPFFP-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO C[C@H](C[NH2+]Cc1cccc2n[nH]cc21)CN(C)C ZINC000623530369 362949519 /nfs/dbraw/zinc/94/95/19/362949519.db2.gz VZBQQGHEBNOPBC-LLVKDONJSA-N 1 3 246.358 1.850 20 0 BDADHO C[C@H](CNCc1cccc2n[nH]cc21)C[NH+](C)C ZINC000623530369 362949521 /nfs/dbraw/zinc/94/95/21/362949521.db2.gz VZBQQGHEBNOPBC-LLVKDONJSA-N 1 3 246.358 1.850 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)CN(C)C ZINC000623530251 362950043 /nfs/dbraw/zinc/95/00/43/362950043.db2.gz RIYNLJQEFPPHPT-STQMWFEESA-N 1 3 241.423 1.647 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)CN(C)C ZINC000623530249 362949853 /nfs/dbraw/zinc/94/98/53/362949853.db2.gz RIYNLJQEFPPHPT-OLZOCXBDSA-N 1 3 241.423 1.647 20 0 BDADHO CO[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623533454 362951886 /nfs/dbraw/zinc/95/18/86/362951886.db2.gz ALCRVBQAVVFPNV-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533454 362951888 /nfs/dbraw/zinc/95/18/88/362951888.db2.gz ALCRVBQAVVFPNV-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO Cc1nccn1CCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336701232 180251352 /nfs/dbraw/zinc/25/13/52/180251352.db2.gz HLTCRXIVKWTVPA-AWEZNQCLSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336701232 180251353 /nfs/dbraw/zinc/25/13/53/180251353.db2.gz HLTCRXIVKWTVPA-AWEZNQCLSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000336701232 180251354 /nfs/dbraw/zinc/25/13/54/180251354.db2.gz HLTCRXIVKWTVPA-AWEZNQCLSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CC[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000336701232 180251355 /nfs/dbraw/zinc/25/13/55/180251355.db2.gz HLTCRXIVKWTVPA-AWEZNQCLSA-N 1 3 248.374 1.360 20 0 BDADHO CC(C)(C)[C@@H](CO)[NH2+]CCCN1CCCC1 ZINC000309352577 350351012 /nfs/dbraw/zinc/35/10/12/350351012.db2.gz NFLSHIJBGZXNHO-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)(C)[C@@H](CO)NCCC[NH+]1CCCC1 ZINC000309352577 350351013 /nfs/dbraw/zinc/35/10/13/350351013.db2.gz NFLSHIJBGZXNHO-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328174740 350380679 /nfs/dbraw/zinc/38/06/79/350380679.db2.gz KYHARASYVSUEKO-AVGNSLFASA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328174740 350380680 /nfs/dbraw/zinc/38/06/80/350380680.db2.gz KYHARASYVSUEKO-AVGNSLFASA-N 1 3 226.364 1.208 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328174740 350380682 /nfs/dbraw/zinc/38/06/82/350380682.db2.gz KYHARASYVSUEKO-AVGNSLFASA-N 1 3 226.364 1.208 20 0 BDADHO Cc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)cc[nH+]1 ZINC000162799402 350431426 /nfs/dbraw/zinc/43/14/26/350431426.db2.gz MIOCBLFRQGXEHJ-KGLIPLIRSA-N 1 3 247.342 1.665 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000156776080 191116422 /nfs/dbraw/zinc/11/64/22/191116422.db2.gz QCHXHZYLZIVIHD-KGLIPLIRSA-N 1 3 241.423 1.791 20 0 BDADHO CO[C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793534 192472536 /nfs/dbraw/zinc/47/25/36/192472536.db2.gz SHZZSMKNWQBLIN-YJBUHQLJSA-N 1 3 238.375 1.817 20 0 BDADHO CCCN1CCC([NH2+]CC(C)(C)N(C)C)CC1 ZINC000020125696 363024598 /nfs/dbraw/zinc/02/45/98/363024598.db2.gz PGCVNSRFUMNECQ-UHFFFAOYSA-N 1 3 241.423 1.791 20 0 BDADHO C[C@H]1C[C@@H](CN(C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650098 366032667 /nfs/dbraw/zinc/03/26/67/366032667.db2.gz CVXQLJAODDJINR-QWRGUYRKSA-N 1 3 222.336 1.230 20 0 BDADHO C[C@H]1C[C@@H](CN(C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650098 366032673 /nfs/dbraw/zinc/03/26/73/366032673.db2.gz CVXQLJAODDJINR-QWRGUYRKSA-N 1 3 222.336 1.230 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000637818782 351659129 /nfs/dbraw/zinc/65/91/29/351659129.db2.gz FPAOWIUGJVJHPZ-MCIGGMRASA-N 1 3 241.379 1.136 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844417 351699848 /nfs/dbraw/zinc/69/98/48/351699848.db2.gz NNNBNVWUSGLLMT-RYUDHWBXSA-N 1 3 243.395 1.240 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000637844416 351700183 /nfs/dbraw/zinc/70/01/83/351700183.db2.gz NNNBNVWUSGLLMT-NWDGAFQWSA-N 1 3 243.395 1.240 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000637857448 351718200 /nfs/dbraw/zinc/71/82/00/351718200.db2.gz WKYYMYVQTNWMIB-UWVGGRQHSA-N 1 3 235.331 1.643 20 0 BDADHO CCC[C@H](CN1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638075738 351948190 /nfs/dbraw/zinc/94/81/90/351948190.db2.gz HFOMRNCZARZAGS-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CO[C@@H](CNCCC[NH+]1CCCCC1)C1CC1 ZINC000638309569 352136987 /nfs/dbraw/zinc/13/69/87/352136987.db2.gz RSFWKSPCQQUFGJ-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])N(C)C ZINC000638233764 352085817 /nfs/dbraw/zinc/08/58/17/352085817.db2.gz KEXWXMKWXVPVMS-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)CN(C)CC(C)(C)C ZINC000638252574 352095926 /nfs/dbraw/zinc/09/59/26/352095926.db2.gz UGPVWJFCGFILIT-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270613 352108476 /nfs/dbraw/zinc/10/84/76/352108476.db2.gz JMGNMFFQVFZPME-MNOVXSKESA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638333152 352151807 /nfs/dbraw/zinc/15/18/07/352151807.db2.gz OTMRPIFNXJIMGD-GHMZBOCLSA-N 1 3 243.395 1.240 20 0 BDADHO CC(C)N(C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638337984 352158026 /nfs/dbraw/zinc/15/80/26/352158026.db2.gz OJTUZCSFQANPOE-CYBMUJFWSA-N 1 3 228.380 1.875 20 0 BDADHO CCN[C@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000638366787 352177991 /nfs/dbraw/zinc/17/79/91/352177991.db2.gz RLVXWXLVZUDTAO-SNVBAGLBSA-N 1 3 235.331 1.390 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000638374906 352187330 /nfs/dbraw/zinc/18/73/30/352187330.db2.gz RFPSEPUZBHRYJH-GFCCVEGCSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000638396225 352203742 /nfs/dbraw/zinc/20/37/42/352203742.db2.gz JEJDSWWIDASWKN-UTUOFQBUSA-N 1 3 241.379 1.088 20 0 BDADHO CCCC[C@H](COC)N[C@@H]1CCC[NH2+]CC1 ZINC000414918318 352273790 /nfs/dbraw/zinc/27/37/90/352273790.db2.gz RZXKRAVUBFHETK-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO CCC(CC)CNC[C@@]1(COC)CCC[NH2+]1 ZINC000414947086 352370605 /nfs/dbraw/zinc/37/06/05/352370605.db2.gz UKZZWRGKGVGHMP-CYBMUJFWSA-N 1 3 228.380 1.781 20 0 BDADHO CC[C@H](C)CNC[C@@]1(COC)CCC[NH2+]1 ZINC000414952027 352372192 /nfs/dbraw/zinc/37/21/92/352372192.db2.gz HSGZPBXBPTTZTN-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CCSCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000405468463 352381911 /nfs/dbraw/zinc/38/19/11/352381911.db2.gz KJGBJRLTEOWGKZ-DTWKUNHWSA-N 1 3 202.367 1.455 20 0 BDADHO CCSCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405468463 352381914 /nfs/dbraw/zinc/38/19/14/352381914.db2.gz KJGBJRLTEOWGKZ-DTWKUNHWSA-N 1 3 202.367 1.455 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000638523003 352357366 /nfs/dbraw/zinc/35/73/66/352357366.db2.gz YURKGXAVOJXXGV-DGCLKSJQSA-N 1 3 249.358 1.130 20 0 BDADHO C[N@H+](CCCN1CCCC1)CCC1(O)CCC1 ZINC000411662998 191203777 /nfs/dbraw/zinc/20/37/77/191203777.db2.gz CIDYYPMMPPLODP-UHFFFAOYSA-N 1 3 240.391 1.709 20 0 BDADHO C[N@@H+](CCCN1CCCC1)CCC1(O)CCC1 ZINC000411662998 191203779 /nfs/dbraw/zinc/20/37/79/191203779.db2.gz CIDYYPMMPPLODP-UHFFFAOYSA-N 1 3 240.391 1.709 20 0 BDADHO Cc1ccc(CCCN[C@H](C)[C@@H](C)[NH3+])cn1 ZINC000415008534 352512248 /nfs/dbraw/zinc/51/22/48/352512248.db2.gz FDOGGLJNAGTBII-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO COCCCCCN1CCC([NH3+])CC1 ZINC000140105237 353112159 /nfs/dbraw/zinc/11/21/59/353112159.db2.gz HZDKJMKTGXFCDD-UHFFFAOYSA-N 1 3 200.326 1.226 20 0 BDADHO C1C[C@H]([NH2+][C@H]2CCNC2)C2(C1)CCOCC2 ZINC000335023212 188009355 /nfs/dbraw/zinc/00/93/55/188009355.db2.gz PKWSCETUJGNNBY-RYUDHWBXSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000336667868 188011229 /nfs/dbraw/zinc/01/12/29/188011229.db2.gz NZCJVMMVOAHVPM-ZDUSSCGKSA-N 1 3 228.380 1.543 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000336667868 188011230 /nfs/dbraw/zinc/01/12/30/188011230.db2.gz NZCJVMMVOAHVPM-ZDUSSCGKSA-N 1 3 228.380 1.543 20 0 BDADHO CC(C)[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336715663 188012740 /nfs/dbraw/zinc/01/27/40/188012740.db2.gz SSJYVZJSKLBXBR-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000336715663 188012742 /nfs/dbraw/zinc/01/27/42/188012742.db2.gz SSJYVZJSKLBXBR-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000336715663 188012744 /nfs/dbraw/zinc/01/27/44/188012744.db2.gz SSJYVZJSKLBXBR-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338009423 188015891 /nfs/dbraw/zinc/01/58/91/188015891.db2.gz RLYIDMNLVJYPSP-KGLIPLIRSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)N(C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638997953 353240342 /nfs/dbraw/zinc/24/03/42/353240342.db2.gz ZXZNVTODZZKEDK-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]Cc1ccccc1 ZINC000405461628 353497020 /nfs/dbraw/zinc/49/70/20/353497020.db2.gz IUROQWWGKUNSIR-VXGBXAGGSA-N 1 3 204.317 1.902 20 0 BDADHO CN(CCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000231668636 353642333 /nfs/dbraw/zinc/64/23/33/353642333.db2.gz AZIQLBZJJRSGLE-AWEZNQCLSA-N 1 3 233.359 1.698 20 0 BDADHO COCCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000227737453 363248349 /nfs/dbraw/zinc/24/83/49/363248349.db2.gz MLURDAFAXZQZDX-LLVKDONJSA-N 1 3 202.342 1.328 20 0 BDADHO c1ccc2c(c1)CC([NH2+]C[C@H]1CCCNC1)C2 ZINC000232453439 353722857 /nfs/dbraw/zinc/72/28/57/353722857.db2.gz NLLDTAGKGRNRBX-LBPRGKRZSA-N 1 3 230.355 1.743 20 0 BDADHO c1ccc2c(c1)CC(NC[C@H]1CCC[NH2+]C1)C2 ZINC000232453439 353722860 /nfs/dbraw/zinc/72/28/60/353722860.db2.gz NLLDTAGKGRNRBX-LBPRGKRZSA-N 1 3 230.355 1.743 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CN(C)C ZINC000308957430 353726900 /nfs/dbraw/zinc/72/69/00/353726900.db2.gz ZQEFCAFWKBNHEK-YVECIDJPSA-N 1 3 210.365 1.962 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000344068295 354131661 /nfs/dbraw/zinc/13/16/61/354131661.db2.gz VGXPXKODCKVSGM-HZSPNIEDSA-N 1 3 241.423 1.647 20 0 BDADHO CCC(CC)[C@@H](O)C[NH2+]C1CCNCC1 ZINC000230497843 363312519 /nfs/dbraw/zinc/31/25/19/363312519.db2.gz IMGKUXCEEGBIQU-LBPRGKRZSA-N 1 3 214.353 1.125 20 0 BDADHO CCC(CC)[C@@H](O)CNC1CC[NH2+]CC1 ZINC000230497843 363312522 /nfs/dbraw/zinc/31/25/22/363312522.db2.gz IMGKUXCEEGBIQU-LBPRGKRZSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1C[C@H](CO)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000344137927 354151415 /nfs/dbraw/zinc/15/14/15/354151415.db2.gz KADOROJGTGXWLV-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1C[C@H](CO)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000344137927 354151419 /nfs/dbraw/zinc/15/14/19/354151419.db2.gz KADOROJGTGXWLV-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)C(C)(C)[NH2+]CCNC(C)(C)C ZINC000230976740 363332535 /nfs/dbraw/zinc/33/25/35/363332535.db2.gz NKADCEOORRLKPZ-VIFPVBQESA-N 1 3 202.342 1.124 20 0 BDADHO CCSCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231670239 363347955 /nfs/dbraw/zinc/34/79/55/363347955.db2.gz MWAAMUJMZHWTOP-LLVKDONJSA-N 1 3 216.394 1.813 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CCOCC1 ZINC000344287317 354204607 /nfs/dbraw/zinc/20/46/07/354204607.db2.gz ILZALZGLTFEHKB-LBPRGKRZSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344331022 354227161 /nfs/dbraw/zinc/22/71/61/354227161.db2.gz ONQSEEWSNXMLDQ-SWLSCSKDSA-N 1 3 249.402 1.321 20 0 BDADHO C[C@@H](O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334624977 354364363 /nfs/dbraw/zinc/36/43/63/354364363.db2.gz SEEGXRPWHTWIFS-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334624977 354364365 /nfs/dbraw/zinc/36/43/65/354364365.db2.gz SEEGXRPWHTWIFS-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@@H]1C[C@@H](CN2CCC([NH3+])CC2)CCO1 ZINC000334688986 354477575 /nfs/dbraw/zinc/47/75/75/354477575.db2.gz OEQXEXVNPYHGAV-WCQYABFASA-N 1 3 226.364 1.615 20 0 BDADHO CCCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503336 354600110 /nfs/dbraw/zinc/60/01/10/354600110.db2.gz FIDCUNHUDDWXDQ-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503336 354600113 /nfs/dbraw/zinc/60/01/13/354600113.db2.gz FIDCUNHUDDWXDQ-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCOCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000233723664 363406220 /nfs/dbraw/zinc/40/62/20/363406220.db2.gz GWGRDNUMKHKWKR-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO CCOCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000233723664 363406221 /nfs/dbraw/zinc/40/62/21/363406221.db2.gz GWGRDNUMKHKWKR-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO COCCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000234706176 363428019 /nfs/dbraw/zinc/42/80/19/363428019.db2.gz GZKRPEKVACQBNZ-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO COCCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000234706176 363428024 /nfs/dbraw/zinc/42/80/24/363428024.db2.gz GZKRPEKVACQBNZ-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO C[C@H](CCC1CC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000346516239 354973020 /nfs/dbraw/zinc/97/30/20/354973020.db2.gz CLFXTRORSCFPLA-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO COc1ccc([C@H](C)C[N@@H+]2CC[C@H](N)C2)cc1 ZINC000346635364 355014532 /nfs/dbraw/zinc/01/45/32/355014532.db2.gz GOPBAJOIQYDXIF-YPMHNXCESA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@H](C)C[N@H+]2CC[C@H](N)C2)cc1 ZINC000346635364 355014535 /nfs/dbraw/zinc/01/45/35/355014535.db2.gz GOPBAJOIQYDXIF-YPMHNXCESA-N 1 3 234.343 1.832 20 0 BDADHO CC[C@@H](CN1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000412975243 191346819 /nfs/dbraw/zinc/34/68/19/191346819.db2.gz DUBJIQYLQNRGMA-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](CN1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000412975243 191346822 /nfs/dbraw/zinc/34/68/22/191346822.db2.gz DUBJIQYLQNRGMA-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](C[N@@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000412975243 191346824 /nfs/dbraw/zinc/34/68/24/191346824.db2.gz DUBJIQYLQNRGMA-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](C[N@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000412975243 191346826 /nfs/dbraw/zinc/34/68/26/191346826.db2.gz DUBJIQYLQNRGMA-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](CN(C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000412979337 191348284 /nfs/dbraw/zinc/34/82/84/191348284.db2.gz TYBJFWRAPFJTKG-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000412979337 191348286 /nfs/dbraw/zinc/34/82/86/191348286.db2.gz TYBJFWRAPFJTKG-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000191205398 355347365 /nfs/dbraw/zinc/34/73/65/355347365.db2.gz SPEJUXBDBMSOIX-DDHJBXDOSA-N 1 3 214.353 1.340 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000191205398 355347370 /nfs/dbraw/zinc/34/73/70/355347370.db2.gz SPEJUXBDBMSOIX-DDHJBXDOSA-N 1 3 214.353 1.340 20 0 BDADHO CC[C@@H]1C[N@@H+]([C@@H](C)CCOC)CC[C@H]1N ZINC000251793302 491080488 /nfs/dbraw/zinc/08/04/88/491080488.db2.gz NRTYXJHIPUHBGY-QJPTWQEYSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[N@H+]([C@@H](C)CCOC)CC[C@H]1N ZINC000251793302 491080489 /nfs/dbraw/zinc/08/04/89/491080489.db2.gz NRTYXJHIPUHBGY-QJPTWQEYSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1CN([C@@H](C)CCOC)CC[C@H]1[NH3+] ZINC000251793302 491080491 /nfs/dbraw/zinc/08/04/91/491080491.db2.gz NRTYXJHIPUHBGY-QJPTWQEYSA-N 1 3 214.353 1.471 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CCCCO ZINC000349922296 355528997 /nfs/dbraw/zinc/52/89/97/355528997.db2.gz QOUWRGKHPRHZGL-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CCCCO ZINC000349922296 355529000 /nfs/dbraw/zinc/52/90/00/355529000.db2.gz QOUWRGKHPRHZGL-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO C[C@H](NC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000389107882 355676824 /nfs/dbraw/zinc/67/68/24/355676824.db2.gz MKVPZFJLQHDQAW-RQJABVFESA-N 1 3 240.391 1.922 20 0 BDADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)N(C)C ZINC000350898353 355870388 /nfs/dbraw/zinc/87/03/88/355870388.db2.gz VIRMPLGXFSZXHZ-NEPJUHHUSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C(C)(C)N)cc1 ZINC000336092121 134078864 /nfs/dbraw/zinc/07/88/64/134078864.db2.gz PHTFEODQNYVOEQ-MRVPVSSYSA-N 1 3 221.304 1.382 20 0 BDADHO C[C@H]1CN(CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000420297282 192204461 /nfs/dbraw/zinc/20/44/61/192204461.db2.gz YLIKLFWDRXQHQC-GXTWGEPZSA-N 1 3 233.359 1.683 20 0 BDADHO CCC[C@@H]1CCC[N@H+](CCN2CCNCC2)C1 ZINC000420296038 192206005 /nfs/dbraw/zinc/20/60/05/192206005.db2.gz CWLJCULNZVIVQN-CQSZACIVSA-N 1 3 239.407 1.404 20 0 BDADHO CCC[C@@H]1CCC[N@@H+](CCN2CCNCC2)C1 ZINC000420296038 192206006 /nfs/dbraw/zinc/20/60/06/192206006.db2.gz CWLJCULNZVIVQN-CQSZACIVSA-N 1 3 239.407 1.404 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000420273942 192197279 /nfs/dbraw/zinc/19/72/79/192197279.db2.gz NZNLRDGYJRINIU-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420318310 192215018 /nfs/dbraw/zinc/21/50/18/192215018.db2.gz OKHRZPUJTQEGBO-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639510520 356343370 /nfs/dbraw/zinc/34/33/70/356343370.db2.gz BBRGJSVHTBKSRB-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639510520 356343374 /nfs/dbraw/zinc/34/33/74/356343374.db2.gz BBRGJSVHTBKSRB-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@@H]1CCC[C@H](CC[N@H+](C)C[C@H](O)CN)C1 ZINC000420353674 192217562 /nfs/dbraw/zinc/21/75/62/192217562.db2.gz NQFFEJVXKVXSLQ-JHJVBQTASA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@H](CC[N@@H+](C)C[C@H](O)CN)C1 ZINC000420353674 192217565 /nfs/dbraw/zinc/21/75/65/192217565.db2.gz NQFFEJVXKVXSLQ-JHJVBQTASA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@H](CCN(C)C[C@H](O)C[NH3+])C1 ZINC000420353674 192217567 /nfs/dbraw/zinc/21/75/67/192217567.db2.gz NQFFEJVXKVXSLQ-JHJVBQTASA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)C[C@@H]1COCCN1CC[C@H]1CC[NH2+]C1 ZINC000420305238 192208714 /nfs/dbraw/zinc/20/87/14/192208714.db2.gz PEPSHRYMUBDABT-ZIAGYGMSSA-N 1 3 240.391 1.733 20 0 BDADHO CCN(CCCC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420309375 192210105 /nfs/dbraw/zinc/21/01/05/192210105.db2.gz LFUXORPPIZPVIH-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CC[N@H+](CCCC(=O)OC)[C@H]1CCCNCC1 ZINC000420309375 192210107 /nfs/dbraw/zinc/21/01/07/192210107.db2.gz LFUXORPPIZPVIH-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CC[N@@H+](CCCC(=O)OC)[C@H]1CCCNCC1 ZINC000420309375 192210109 /nfs/dbraw/zinc/21/01/09/192210109.db2.gz LFUXORPPIZPVIH-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CC[N@H+](CCCOC)[C@H]1CCCNCC1 ZINC000420311084 192210507 /nfs/dbraw/zinc/21/05/07/192210507.db2.gz MYYUVJHOHMABBI-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CC[N@@H+](CCCOC)[C@H]1CCCNCC1 ZINC000420311084 192210509 /nfs/dbraw/zinc/21/05/09/192210509.db2.gz MYYUVJHOHMABBI-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO C(CN1CCOC[C@H]1C1CC1)C1CC[NH2+]CC1 ZINC000420358889 192220401 /nfs/dbraw/zinc/22/04/01/192220401.db2.gz JTDRMCCHORUCKM-AWEZNQCLSA-N 1 3 238.375 1.487 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NCCc1cccnc1 ZINC000420362991 192223817 /nfs/dbraw/zinc/22/38/17/192223817.db2.gz NOWUBWNDOMNETM-GFCCVEGCSA-N 1 3 221.348 1.587 20 0 BDADHO CC(C)COCCN[C@@H](C[NH3+])C(C)(C)C ZINC000420368706 192225279 /nfs/dbraw/zinc/22/52/79/192225279.db2.gz UMYXCYQAHMNRDW-NSHDSACASA-N 1 3 216.369 1.622 20 0 BDADHO CN1CC[C@@H](NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390632 192236426 /nfs/dbraw/zinc/23/64/26/192236426.db2.gz ABXPQFIKPOBOBX-KGLIPLIRSA-N 1 3 233.359 1.370 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1NC[C@@H](C)[NH3+] ZINC000420411530 192239161 /nfs/dbraw/zinc/23/91/61/192239161.db2.gz RTOPUFWRLFNPGC-UTUOFQBUSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420652 192240674 /nfs/dbraw/zinc/24/06/74/192240674.db2.gz YCECHMUKFVHWAO-NEPJUHHUSA-N 1 3 219.332 1.732 20 0 BDADHO [NH3+]CCCN[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420416810 192241125 /nfs/dbraw/zinc/24/11/25/192241125.db2.gz VXOFAYZGIGQBRG-KGLIPLIRSA-N 1 3 234.343 1.703 20 0 BDADHO CC[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000020593557 356489566 /nfs/dbraw/zinc/48/95/66/356489566.db2.gz AIIFDTMWBRTKOV-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1C ZINC000389634212 356496254 /nfs/dbraw/zinc/49/62/54/356496254.db2.gz NKNUBGPDGPYPOZ-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1C ZINC000389634212 356496258 /nfs/dbraw/zinc/49/62/58/356496258.db2.gz NKNUBGPDGPYPOZ-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC(C)CC[C@](C)(O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422983522 192517130 /nfs/dbraw/zinc/51/71/30/192517130.db2.gz ZTQFHDJPWAXFFP-XQQFMLRXSA-N 1 3 228.380 1.643 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000167625019 134153285 /nfs/dbraw/zinc/15/32/85/134153285.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000167625019 134153286 /nfs/dbraw/zinc/15/32/86/134153286.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167625019 134153287 /nfs/dbraw/zinc/15/32/87/134153287.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167625019 134153288 /nfs/dbraw/zinc/15/32/88/134153288.db2.gz DBIZBRJBORRAFW-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO COCC(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000423136199 192581706 /nfs/dbraw/zinc/58/17/06/192581706.db2.gz UVTAUYYHJDILQU-VHSXEESVSA-N 1 3 202.342 1.374 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3ccno3)C2)CC1 ZINC000639757746 356664726 /nfs/dbraw/zinc/66/47/26/356664726.db2.gz PDXHEEZHZFUSQG-UHFFFAOYSA-N 1 3 235.331 1.592 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000450462516 202172603 /nfs/dbraw/zinc/17/26/03/202172603.db2.gz HAVIEJWDPDRLDE-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000450462516 202172605 /nfs/dbraw/zinc/17/26/05/202172605.db2.gz HAVIEJWDPDRLDE-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423167068 192603953 /nfs/dbraw/zinc/60/39/53/192603953.db2.gz WDZOKLLONBHSJY-XJFOESAGSA-N 1 3 240.391 1.645 20 0 BDADHO NCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000423180058 192612868 /nfs/dbraw/zinc/61/28/68/192612868.db2.gz DWJLENZOJJOMGA-UHFFFAOYSA-N 1 3 206.280 1.749 20 0 BDADHO CN1CCC[C@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623377275 356896426 /nfs/dbraw/zinc/89/64/26/356896426.db2.gz SPOMYXMGHMBXEO-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000423196180 192621562 /nfs/dbraw/zinc/62/15/62/192621562.db2.gz ZEQKNGMYUISLOH-IRCOFANPSA-N 1 3 214.328 1.984 20 0 BDADHO NCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423197446 192622825 /nfs/dbraw/zinc/62/28/25/192622825.db2.gz ZMAJTZPXRKGWPD-RWMBFGLXSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389788446 357032845 /nfs/dbraw/zinc/03/28/45/357032845.db2.gz NSMTXEWTVCRCMK-NFAWXSAZSA-N 1 3 247.386 1.444 20 0 BDADHO CCCCN(C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000390652646 357109340 /nfs/dbraw/zinc/10/93/40/357109340.db2.gz NWPYUKUCHHHWRZ-CYBMUJFWSA-N 1 3 228.380 1.564 20 0 BDADHO CCCCN(C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000390652646 357109343 /nfs/dbraw/zinc/10/93/43/357109343.db2.gz NWPYUKUCHHHWRZ-CYBMUJFWSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N(C)C ZINC000623403137 357066578 /nfs/dbraw/zinc/06/65/78/357066578.db2.gz LBBYITURGHCWDC-VXGBXAGGSA-N 1 3 227.396 1.399 20 0 BDADHO Cc1ncsc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000391126502 357122404 /nfs/dbraw/zinc/12/24/04/357122404.db2.gz DPIOXXBEUDTZFV-WDEREUQCSA-N 1 3 239.388 1.854 20 0 BDADHO COCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC000393774300 357298642 /nfs/dbraw/zinc/29/86/42/357298642.db2.gz WJQOGFCUNCMYQY-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCCC[N@@H+]1CCC[C@@H](CN)C1 ZINC000393774300 357298643 /nfs/dbraw/zinc/29/86/43/357298643.db2.gz WJQOGFCUNCMYQY-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCCC[N@H+]1CCC[C@@H](CN)C1 ZINC000393774300 357298644 /nfs/dbraw/zinc/29/86/44/357298644.db2.gz WJQOGFCUNCMYQY-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO C(CN1CCN(C2CCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000393188245 357278538 /nfs/dbraw/zinc/27/85/38/357278538.db2.gz QWYAKNREOZYWKB-ZDUSSCGKSA-N 1 3 237.391 1.156 20 0 BDADHO CC(C)(C[NH2+][C@H]1CCCOC1)CN1CCCC1 ZINC000357855620 538834811 /nfs/dbraw/zinc/83/48/11/538834811.db2.gz SKOWHVLSGRNJTC-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)(CN[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000357855620 538834815 /nfs/dbraw/zinc/83/48/15/538834815.db2.gz SKOWHVLSGRNJTC-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423289323 192683056 /nfs/dbraw/zinc/68/30/56/192683056.db2.gz WTQBLWRGYPYSTG-QJPTWQEYSA-N 1 3 238.375 1.661 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)C1CC(C)(C)C1 ZINC000395438328 357440508 /nfs/dbraw/zinc/44/05/08/357440508.db2.gz PIQZESDRZJCWLL-LBPRGKRZSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)C1CC(C)(C)C1 ZINC000395438328 357440512 /nfs/dbraw/zinc/44/05/12/357440512.db2.gz PIQZESDRZJCWLL-LBPRGKRZSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396812251 357485012 /nfs/dbraw/zinc/48/50/12/357485012.db2.gz QEZWHRAARKFLLS-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396812251 357485016 /nfs/dbraw/zinc/48/50/16/357485016.db2.gz QEZWHRAARKFLLS-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396812251 357485020 /nfs/dbraw/zinc/48/50/20/357485020.db2.gz QEZWHRAARKFLLS-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CCC(CC)[C@@H](O)CN[C@H]1CCC[NH2+]CC1 ZINC000230469291 357525494 /nfs/dbraw/zinc/52/54/94/357525494.db2.gz ISVKQXOOKVTEDQ-STQMWFEESA-N 1 3 228.380 1.515 20 0 BDADHO Cc1ncsc1CNCCOCC[NH+](C)C ZINC000231676172 357619999 /nfs/dbraw/zinc/61/99/99/357619999.db2.gz ZSQKTLNRQKINBD-UHFFFAOYSA-N 1 3 243.376 1.119 20 0 BDADHO Cc1cnc(CNCC2CC[NH+](C)CC2)s1 ZINC000234313797 357800417 /nfs/dbraw/zinc/80/04/17/357800417.db2.gz TZTJDBNTDZSJDY-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000191590380 357786721 /nfs/dbraw/zinc/78/67/21/357786721.db2.gz AVOYZGXFTOFBHX-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000191590380 357786725 /nfs/dbraw/zinc/78/67/25/357786725.db2.gz AVOYZGXFTOFBHX-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@@H]1C(C)(C)O ZINC000191590380 357786731 /nfs/dbraw/zinc/78/67/31/357786731.db2.gz AVOYZGXFTOFBHX-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1cccc(F)c1 ZINC000234731587 357833117 /nfs/dbraw/zinc/83/31/17/357833117.db2.gz LBXQCQRJUGRHAH-CYBMUJFWSA-N 1 3 240.322 1.669 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000398494298 357886133 /nfs/dbraw/zinc/88/61/33/357886133.db2.gz UOYYBTMZHQPLRL-IJLUTSLNSA-N 1 3 214.353 1.397 20 0 BDADHO COCCCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584411098 357914036 /nfs/dbraw/zinc/91/40/36/357914036.db2.gz JFIXPMKUOIDQPA-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO COCCCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000584411098 357914041 /nfs/dbraw/zinc/91/40/41/357914041.db2.gz JFIXPMKUOIDQPA-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO COCCCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000584411098 357914044 /nfs/dbraw/zinc/91/40/44/357914044.db2.gz JFIXPMKUOIDQPA-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO C[N@@H+]1CC[C@@H](NC[C@@H](O)C2CC2)CC1(C)C ZINC000623418119 358062193 /nfs/dbraw/zinc/06/21/93/358062193.db2.gz CGWKSIWNBXSCLN-VXGBXAGGSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CC[C@@H](NC[C@@H](O)C2CC2)CC1(C)C ZINC000623418119 358062196 /nfs/dbraw/zinc/06/21/96/358062196.db2.gz CGWKSIWNBXSCLN-VXGBXAGGSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@H](O)C2CC2)CC1(C)C ZINC000623418118 358062620 /nfs/dbraw/zinc/06/26/20/358062620.db2.gz CGWKSIWNBXSCLN-RYUDHWBXSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@H](O)C2CC2)CC1(C)C ZINC000623418118 358062624 /nfs/dbraw/zinc/06/26/24/358062624.db2.gz CGWKSIWNBXSCLN-RYUDHWBXSA-N 1 3 226.364 1.220 20 0 BDADHO CN(C)Cc1ccc(NC(=O)CCC[NH3+])cc1 ZINC000037042505 358064041 /nfs/dbraw/zinc/06/40/41/358064041.db2.gz VLXAKRPRMDGXQC-UHFFFAOYSA-N 1 3 235.331 1.426 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042515 358064164 /nfs/dbraw/zinc/06/41/64/358064164.db2.gz ZOPLTIIHLUUNIA-LBPRGKRZSA-N 1 3 235.331 1.424 20 0 BDADHO OC1(C[NH2+][C@H]2CCCNCC2)CCCCC1 ZINC000168763891 134248015 /nfs/dbraw/zinc/24/80/15/134248015.db2.gz AJGNGFLHUACGIN-LBPRGKRZSA-N 1 3 226.364 1.413 20 0 BDADHO OC1(CN[C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000168763891 134248016 /nfs/dbraw/zinc/24/80/16/134248016.db2.gz AJGNGFLHUACGIN-LBPRGKRZSA-N 1 3 226.364 1.413 20 0 BDADHO CC(C)OCCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000383518728 358117543 /nfs/dbraw/zinc/11/75/43/358117543.db2.gz IIEREASEJREYSM-VXGBXAGGSA-N 1 3 214.353 1.613 20 0 BDADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCCO2)CC1(C)C ZINC000084500141 491122007 /nfs/dbraw/zinc/12/20/07/491122007.db2.gz CWIZESWBRKHWBX-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCCO2)CC1(C)C ZINC000084500141 491122009 /nfs/dbraw/zinc/12/20/09/491122009.db2.gz CWIZESWBRKHWBX-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCCO2)C1 ZINC000222987482 358217331 /nfs/dbraw/zinc/21/73/31/358217331.db2.gz FKBUMPCKCICVAL-UTUOFQBUSA-N 1 3 212.337 1.415 20 0 BDADHO CCCN(CC[NH+](C)C)C(=O)[C@@H](N)C(C)(C)C ZINC000041680321 358334136 /nfs/dbraw/zinc/33/41/36/358334136.db2.gz PEQRBGCACAMXAR-LLVKDONJSA-N 1 3 243.395 1.160 20 0 BDADHO CSCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000229207979 358363707 /nfs/dbraw/zinc/36/37/07/358363707.db2.gz DTOILFWZXJCSDX-GHMZBOCLSA-N 1 3 216.394 1.989 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000173895578 134278647 /nfs/dbraw/zinc/27/86/47/134278647.db2.gz QUMBPHPURSNYRJ-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000173895578 134278648 /nfs/dbraw/zinc/27/86/48/134278648.db2.gz QUMBPHPURSNYRJ-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCC[C@@H](CC)[NH2+]CCOCCN(C)C ZINC000219317468 134281140 /nfs/dbraw/zinc/28/11/40/134281140.db2.gz SFULKBVCUFBQPJ-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[NH+]1CCCCC1 ZINC000132247969 358713740 /nfs/dbraw/zinc/71/37/40/358713740.db2.gz NXRFOZHTJZBVFP-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132417928 358723472 /nfs/dbraw/zinc/72/34/72/358723472.db2.gz NZQAICPEASKCPZ-UMSGYPCISA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132417928 358723473 /nfs/dbraw/zinc/72/34/73/358723473.db2.gz NZQAICPEASKCPZ-UMSGYPCISA-N 1 3 226.364 1.626 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000222052061 358769611 /nfs/dbraw/zinc/76/96/11/358769611.db2.gz KPBMKOMEARGXFF-BFHYXJOUSA-N 1 3 239.407 1.401 20 0 BDADHO CNCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000578324048 366512647 /nfs/dbraw/zinc/51/26/47/366512647.db2.gz HKNCSHDTFIEIPA-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC000247885317 359247384 /nfs/dbraw/zinc/24/73/84/359247384.db2.gz CXDNQKBAEVVXLY-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC000247885317 359247388 /nfs/dbraw/zinc/24/73/88/359247388.db2.gz CXDNQKBAEVVXLY-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO Cn1ccc(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)c1 ZINC000623439660 359332466 /nfs/dbraw/zinc/33/24/66/359332466.db2.gz SDRXRPPLOUKIOF-CYBMUJFWSA-N 1 3 235.375 1.988 20 0 BDADHO CN(C)CCOCC[NH2+]CC1(C)CCC1 ZINC000308920576 491140288 /nfs/dbraw/zinc/14/02/88/491140288.db2.gz OUOUCIOAYGSKCP-UHFFFAOYSA-N 1 3 214.353 1.344 20 0 BDADHO C1[NH2+]C[C@@H]2[C@H]1[C@H]2NC1C2CC3CC(C2)CC1C3 ZINC000423441164 192770213 /nfs/dbraw/zinc/77/02/13/192770213.db2.gz UKKQLKVYNWACOE-HQDLJHAYSA-N 1 3 232.371 1.619 20 0 BDADHO CC[C@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467056 192782383 /nfs/dbraw/zinc/78/23/83/192782383.db2.gz YVXBOWIOWQNCME-IEECTRCBSA-N 1 3 208.349 1.763 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC(C)(C)CO ZINC000451258924 202388345 /nfs/dbraw/zinc/38/83/45/202388345.db2.gz XCCRHEWLUQDAPM-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC(C)(C)CO ZINC000451258924 202388349 /nfs/dbraw/zinc/38/83/49/202388349.db2.gz XCCRHEWLUQDAPM-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000087647864 359922317 /nfs/dbraw/zinc/92/23/17/359922317.db2.gz SDNGISNTJHIRKN-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO OCCC[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000087647864 359922323 /nfs/dbraw/zinc/92/23/23/359922323.db2.gz SDNGISNTJHIRKN-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO Cc1n[nH]cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000088163835 359939073 /nfs/dbraw/zinc/93/90/73/359939073.db2.gz ICAWEVZTMNXWCD-AGUYFDCRSA-N 1 3 248.374 1.823 20 0 BDADHO COc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089140515 359992605 /nfs/dbraw/zinc/99/26/05/359992605.db2.gz DBUPZUMLDANGEA-OLZOCXBDSA-N 1 3 249.358 1.697 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C1CCOCC1 ZINC000094722678 360316243 /nfs/dbraw/zinc/31/62/43/360316243.db2.gz XTEDWMXYUTYEFX-ZIAGYGMSSA-N 1 3 238.375 1.629 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)C1CCOCC1 ZINC000094722680 360316403 /nfs/dbraw/zinc/31/64/03/360316403.db2.gz XTEDWMXYUTYEFX-UONOGXRCSA-N 1 3 238.375 1.629 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631198922 360760697 /nfs/dbraw/zinc/76/06/97/360760697.db2.gz MWFJXJAOOCQSCP-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631198922 360760702 /nfs/dbraw/zinc/76/07/02/360760702.db2.gz MWFJXJAOOCQSCP-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000631198922 360760706 /nfs/dbraw/zinc/76/07/06/360760706.db2.gz MWFJXJAOOCQSCP-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CCC1(C[NH2+][C@H]2CCN[C@H](C)C2)CCOCC1 ZINC000414954095 200785714 /nfs/dbraw/zinc/78/57/14/200785714.db2.gz SFDOTRAKNBOMHH-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000629387528 361038657 /nfs/dbraw/zinc/03/86/57/361038657.db2.gz FADUVFGJIRCESI-MHDGFBEUSA-N 1 3 237.391 1.342 20 0 BDADHO [NH3+]CCCOCCNCc1cccs1 ZINC000629397728 361047946 /nfs/dbraw/zinc/04/79/46/361047946.db2.gz BWKHPZFRTSCHRF-UHFFFAOYSA-N 1 3 214.334 1.203 20 0 BDADHO COc1ccc(CNCCOCCC[NH3+])cc1 ZINC000629398670 361048904 /nfs/dbraw/zinc/04/89/04/361048904.db2.gz WSOYMEHPMKTCRI-UHFFFAOYSA-N 1 3 238.331 1.150 20 0 BDADHO CCO[C@H](CN1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519283 361119962 /nfs/dbraw/zinc/11/99/62/361119962.db2.gz OITXLURMDLCRQV-ZIAGYGMSSA-N 1 3 238.375 1.487 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCN1CC(F)F ZINC000629520229 361116680 /nfs/dbraw/zinc/11/66/80/361116680.db2.gz UZIYOFAVCNQRQZ-HBNTYKKESA-N 1 3 247.333 1.185 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CCCCO ZINC000629527087 361132407 /nfs/dbraw/zinc/13/24/07/361132407.db2.gz JUBZURNVDZFYLY-GRYCIOLGSA-N 1 3 214.353 1.268 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cccc(F)c1 ZINC000629528988 361138860 /nfs/dbraw/zinc/13/88/60/361138860.db2.gz ONAJHCSMSCHARS-NSHDSACASA-N 1 3 240.322 1.712 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cccc(O)c1 ZINC000629530195 361143624 /nfs/dbraw/zinc/14/36/24/361143624.db2.gz YTPYHLDLBCHURI-LLVKDONJSA-N 1 3 238.331 1.279 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1cccnc1C ZINC000629531898 361149843 /nfs/dbraw/zinc/14/98/43/361149843.db2.gz CPKVSCKIPCOSIQ-CYBMUJFWSA-N 1 3 237.347 1.234 20 0 BDADHO CC1(C)CN(C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000158592119 361205708 /nfs/dbraw/zinc/20/57/08/361205708.db2.gz RPAOUPHJIWVZEA-LLVKDONJSA-N 1 3 228.405 1.813 20 0 BDADHO COCCCCN(C)CC(C)(C)C[NH3+] ZINC000158525303 361201567 /nfs/dbraw/zinc/20/15/67/361201567.db2.gz VESNBWOHMCESON-UHFFFAOYSA-N 1 3 202.342 1.330 20 0 BDADHO CCO[C@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000622045150 370678954 /nfs/dbraw/zinc/67/89/54/370678954.db2.gz DJEGGWAAHCEMMQ-DCAQKATOSA-N 1 3 214.353 1.517 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000622045150 370678956 /nfs/dbraw/zinc/67/89/56/370678956.db2.gz DJEGGWAAHCEMMQ-DCAQKATOSA-N 1 3 214.353 1.517 20 0 BDADHO CC[C@@H]([NH2+]CC[C@H](C)N)[C@@H]1CCOC1 ZINC000622045341 370680026 /nfs/dbraw/zinc/68/00/26/370680026.db2.gz OAPWUWNMDFTJSG-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO [NH3+]C1(CNCCCOc2ccccc2)CCC1 ZINC000342098292 181332864 /nfs/dbraw/zinc/33/28/64/181332864.db2.gz IEWMHDSYEBWPCC-UHFFFAOYSA-N 1 3 234.343 1.927 20 0 BDADHO CCO[C@H](CN[C@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534723 361408598 /nfs/dbraw/zinc/40/85/98/361408598.db2.gz AYTVTPFZCVZAMX-VXGBXAGGSA-N 1 3 228.380 1.765 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc[nH]c1=O ZINC000629544707 361423210 /nfs/dbraw/zinc/42/32/10/361423210.db2.gz KGZBJRRWZNXICD-PWSUYJOCSA-N 1 3 235.331 1.394 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629545045 361424779 /nfs/dbraw/zinc/42/47/79/361424779.db2.gz AMENRGXJWPAFKD-VZZFWQQMSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@@H]1CCCCN1 ZINC000629545826 361426563 /nfs/dbraw/zinc/42/65/63/361426563.db2.gz CTINFGMDYXOXRH-GHYVTOPFSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@H]1CCCCN1 ZINC000629545827 361426733 /nfs/dbraw/zinc/42/67/33/361426733.db2.gz CTINFGMDYXOXRH-IGHBBLSQSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000629555012 361436462 /nfs/dbraw/zinc/43/64/62/361436462.db2.gz PXRYQQCFCFMZGX-WUHRBBMRSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1ccncc1 ZINC000629541967 361418242 /nfs/dbraw/zinc/41/82/42/361418242.db2.gz VIILJVRNMMNPIO-NSHDSACASA-N 1 3 223.320 1.098 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CC1=CCCOC1 ZINC000629646809 361535252 /nfs/dbraw/zinc/53/52/52/361535252.db2.gz FDQRENKHNGAKRU-ZYHUDNBSSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1=CCCOC1 ZINC000629646809 361535257 /nfs/dbraw/zinc/53/52/57/361535257.db2.gz FDQRENKHNGAKRU-ZYHUDNBSSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1=CCCOC1 ZINC000629646809 361535262 /nfs/dbraw/zinc/53/52/62/361535262.db2.gz FDQRENKHNGAKRU-ZYHUDNBSSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@@H](NCC1=CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000629648357 361541071 /nfs/dbraw/zinc/54/10/71/361541071.db2.gz ULDDXDRSQSOCER-DGCLKSJQSA-N 1 3 224.348 1.311 20 0 BDADHO C[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CCCNC1 ZINC000629648357 361541076 /nfs/dbraw/zinc/54/10/76/361541076.db2.gz ULDDXDRSQSOCER-DGCLKSJQSA-N 1 3 224.348 1.311 20 0 BDADHO CC[C@@H]([NH3+])CNCC1(OC)CCCC1 ZINC000629648920 361543109 /nfs/dbraw/zinc/54/31/09/361543109.db2.gz CPPGNCIOHCFBCY-SNVBAGLBSA-N 1 3 200.326 1.273 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccn(C)c2)C1 ZINC000629652018 361549529 /nfs/dbraw/zinc/54/95/29/361549529.db2.gz SMRINGNBAKYAMF-YPMHNXCESA-N 1 3 221.348 1.584 20 0 BDADHO C1=C(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)COCC1 ZINC000629653939 361554503 /nfs/dbraw/zinc/55/45/03/361554503.db2.gz NLDSFZGJMJVUBL-OKILXGFUSA-N 1 3 236.359 1.265 20 0 BDADHO C([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCSC1 ZINC000629651007 361556082 /nfs/dbraw/zinc/55/60/82/361556082.db2.gz NOIIQGKARIPXQM-GHMZBOCLSA-N 1 3 226.389 1.614 20 0 BDADHO Cc1cc(CN(C)CCOCC[NH3+])ccc1F ZINC000629661584 361594511 /nfs/dbraw/zinc/59/45/11/361594511.db2.gz CTRMAWXMMUYGTF-UHFFFAOYSA-N 1 3 240.322 1.541 20 0 BDADHO CC[N@H+](C[C@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000435388715 201266786 /nfs/dbraw/zinc/26/67/86/201266786.db2.gz GWEIRQQMOCSVOY-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](C[C@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000435388715 201266787 /nfs/dbraw/zinc/26/67/87/201266787.db2.gz GWEIRQQMOCSVOY-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CCCN1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000154505757 201281787 /nfs/dbraw/zinc/28/17/87/201281787.db2.gz FFGLPSFHCYKLOF-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO CC[C@@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000154296288 201274242 /nfs/dbraw/zinc/27/42/42/201274242.db2.gz VXWXIGFDUIJDJY-CYBMUJFWSA-N 1 3 227.396 1.402 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438207649 201397738 /nfs/dbraw/zinc/39/77/38/201397738.db2.gz AEBULTOZUMXLBR-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CC[C@@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608084 364333916 /nfs/dbraw/zinc/33/39/16/364333916.db2.gz VDIAWVLOHZAWQB-LLVKDONJSA-N 1 3 231.303 1.136 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000573486360 364844201 /nfs/dbraw/zinc/84/42/01/364844201.db2.gz RGPKJXWQGIPJMI-NSHDSACASA-N 1 3 249.358 1.215 20 0 BDADHO CC1=CCN(CCN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000574339287 365041470 /nfs/dbraw/zinc/04/14/70/365041470.db2.gz OWCNBUKDWVTJKC-KBPBESRZSA-N 1 3 237.391 1.498 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000574392832 365050832 /nfs/dbraw/zinc/05/08/32/365050832.db2.gz IGWNIZULSMMUDJ-FIQHERPVSA-N 1 3 214.353 1.218 20 0 BDADHO C[C@H](O)[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000574392832 365050839 /nfs/dbraw/zinc/05/08/39/365050839.db2.gz IGWNIZULSMMUDJ-FIQHERPVSA-N 1 3 214.353 1.218 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000379788321 365272123 /nfs/dbraw/zinc/27/21/23/365272123.db2.gz INMXTXIKBVXPLP-UTUOFQBUSA-N 1 3 212.337 1.415 20 0 BDADHO CNCc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000575988769 365437461 /nfs/dbraw/zinc/43/74/61/365437461.db2.gz YQMJZYIATAJKHG-PHIMTYICSA-N 1 3 233.315 1.082 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000576129119 365496258 /nfs/dbraw/zinc/49/62/58/365496258.db2.gz ZEVDBWPSLKMAIL-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000576129119 365496264 /nfs/dbraw/zinc/49/62/64/365496264.db2.gz ZEVDBWPSLKMAIL-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550325 541488970 /nfs/dbraw/zinc/48/89/70/541488970.db2.gz MXMPHEBCPCSQRV-SDDRHHMPSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550325 541488976 /nfs/dbraw/zinc/48/89/76/541488976.db2.gz MXMPHEBCPCSQRV-SDDRHHMPSA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000579833437 367038075 /nfs/dbraw/zinc/03/80/75/367038075.db2.gz AVOQAFKICZQEMV-WUHRBBMRSA-N 1 3 228.380 1.907 20 0 BDADHO N[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844563 367187354 /nfs/dbraw/zinc/18/73/54/367187354.db2.gz RSOWQBTXNMBCQR-MGPQQGTHSA-N 1 3 233.359 1.546 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCC1 ZINC000381292581 367376144 /nfs/dbraw/zinc/37/61/44/367376144.db2.gz DUPSALBPMCIRMT-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO C(CNC1CC1)C[NH2+]CC[C@@H]1CCOC1 ZINC000382562314 367540127 /nfs/dbraw/zinc/54/01/27/367540127.db2.gz WZKAWHNZTPOFFO-LLVKDONJSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@H](O)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000581489206 367518874 /nfs/dbraw/zinc/51/88/74/367518874.db2.gz PJBQJACLSLIDAG-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)[C@H](C)O1 ZINC000384571684 367701801 /nfs/dbraw/zinc/70/18/01/367701801.db2.gz JGQSUQBRFCIFGU-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)[C@H](C)O1 ZINC000384571684 367701806 /nfs/dbraw/zinc/70/18/06/367701806.db2.gz JGQSUQBRFCIFGU-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000384035297 367669124 /nfs/dbraw/zinc/66/91/24/367669124.db2.gz DLGWAMYGPYAUSP-SRVKXCTJSA-N 1 3 228.405 1.847 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000384035298 367669254 /nfs/dbraw/zinc/66/92/54/367669254.db2.gz DLGWAMYGPYAUSP-WOPDTQHZSA-N 1 3 228.405 1.847 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000384776874 367729866 /nfs/dbraw/zinc/72/98/66/367729866.db2.gz VRGJBJFVBKPAMN-GRYCIOLGSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000384877069 367748586 /nfs/dbraw/zinc/74/85/86/367748586.db2.gz PUOQRUZWLOASBQ-MXWKQRLJSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000384877069 367748592 /nfs/dbraw/zinc/74/85/92/367748592.db2.gz PUOQRUZWLOASBQ-MXWKQRLJSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCC[C@H]1CN ZINC000384949156 367763010 /nfs/dbraw/zinc/76/30/10/367763010.db2.gz FYFISAPBJZFJRM-WOPDTQHZSA-N 1 3 228.380 1.643 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCSCC[C@H]1C ZINC000385409389 367826903 /nfs/dbraw/zinc/82/69/03/367826903.db2.gz SWXFYMYJPRANSO-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCSCC[C@H]1C ZINC000385409389 367826910 /nfs/dbraw/zinc/82/69/10/367826910.db2.gz SWXFYMYJPRANSO-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCCCN1 ZINC000386066353 367907783 /nfs/dbraw/zinc/90/77/83/367907783.db2.gz YMOWEYIYSVJPSJ-WCQYABFASA-N 1 3 236.363 1.083 20 0 BDADHO CC(C)(CO)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000385953187 367890315 /nfs/dbraw/zinc/89/03/15/367890315.db2.gz XVBQOVYPHYGQEP-NEPJUHHUSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H](NC[C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000386598725 368000382 /nfs/dbraw/zinc/00/03/82/368000382.db2.gz UCTBKQQUKXKCMU-QJPTWQEYSA-N 1 3 228.405 1.860 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2nccs2)C1 ZINC000086404127 368880472 /nfs/dbraw/zinc/88/04/72/368880472.db2.gz MNWLDOWCVVUMAQ-ZJUUUORDSA-N 1 3 225.361 1.545 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623656967 368997540 /nfs/dbraw/zinc/99/75/40/368997540.db2.gz GZCQFSISQPKPLW-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656967 368997544 /nfs/dbraw/zinc/99/75/44/368997544.db2.gz GZCQFSISQPKPLW-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631834647 369033077 /nfs/dbraw/zinc/03/30/77/369033077.db2.gz CGYKZNADBBUKEJ-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631834647 369033081 /nfs/dbraw/zinc/03/30/81/369033081.db2.gz CGYKZNADBBUKEJ-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC[C@@H](C)O ZINC000459407342 203277197 /nfs/dbraw/zinc/27/71/97/203277197.db2.gz LXPSYKMCRJPCMG-MGPQQGTHSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C[C@@H](C)O ZINC000459407342 203277199 /nfs/dbraw/zinc/27/71/99/203277199.db2.gz LXPSYKMCRJPCMG-MGPQQGTHSA-N 1 3 242.407 1.857 20 0 BDADHO Cn1cncc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459727731 203341757 /nfs/dbraw/zinc/34/17/57/203341757.db2.gz HGIOEYAKCFXRSF-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO Cn1cncc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727731 203341759 /nfs/dbraw/zinc/34/17/59/203341759.db2.gz HGIOEYAKCFXRSF-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2cccnc2)C1 ZINC000459747113 203354889 /nfs/dbraw/zinc/35/48/89/203354889.db2.gz ZVBGGAPPCJNWDR-ZDUSSCGKSA-N 1 3 233.359 1.903 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2cccnc2)C1 ZINC000459747113 203354891 /nfs/dbraw/zinc/35/48/91/203354891.db2.gz ZVBGGAPPCJNWDR-ZDUSSCGKSA-N 1 3 233.359 1.903 20 0 BDADHO NC[C@H]1C[N@H+](CCCF)CC12CCOCC2 ZINC000567894801 326278420 /nfs/dbraw/zinc/27/84/20/326278420.db2.gz VIPJEPXWIYZBQE-NSHDSACASA-N 1 3 230.327 1.033 20 0 BDADHO NC[C@H]1C[N@@H+](CCCF)CC12CCOCC2 ZINC000567894801 326278421 /nfs/dbraw/zinc/27/84/21/326278421.db2.gz VIPJEPXWIYZBQE-NSHDSACASA-N 1 3 230.327 1.033 20 0 BDADHO [NH3+]C[C@H]1CN(CCCF)CC12CCOCC2 ZINC000567894801 326278423 /nfs/dbraw/zinc/27/84/23/326278423.db2.gz VIPJEPXWIYZBQE-NSHDSACASA-N 1 3 230.327 1.033 20 0 BDADHO Cc1nccn1CCCN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784841 370538019 /nfs/dbraw/zinc/53/80/19/370538019.db2.gz VUTMNOKTSZLMRK-KBPBESRZSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621784841 370538025 /nfs/dbraw/zinc/53/80/25/370538025.db2.gz VUTMNOKTSZLMRK-KBPBESRZSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621784841 370538031 /nfs/dbraw/zinc/53/80/31/370538031.db2.gz VUTMNOKTSZLMRK-KBPBESRZSA-N 1 3 248.374 1.395 20 0 BDADHO CCn1nccc1CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000621774926 370521804 /nfs/dbraw/zinc/52/18/04/370521804.db2.gz AKXITLUIAXCIIR-NEPJUHHUSA-N 1 3 236.363 1.115 20 0 BDADHO Cc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccn1 ZINC000621775584 370522869 /nfs/dbraw/zinc/52/28/69/370522869.db2.gz SOLGTAVHCSBPPN-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO CSCCNC1CC[NH+](CC2CC2)CC1 ZINC000154746902 371156143 /nfs/dbraw/zinc/15/61/43/371156143.db2.gz FMQPTKYLCIMRRG-UHFFFAOYSA-N 1 3 228.405 1.813 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000624121565 371322722 /nfs/dbraw/zinc/32/27/22/371322722.db2.gz YCDAOMTVHCDZAJ-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121565 371322725 /nfs/dbraw/zinc/32/27/25/371322725.db2.gz YCDAOMTVHCDZAJ-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121565 371322729 /nfs/dbraw/zinc/32/27/29/371322729.db2.gz YCDAOMTVHCDZAJ-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122903 371324789 /nfs/dbraw/zinc/32/47/89/371324789.db2.gz AVLLPKVRGDJPOX-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000226670269 371719393 /nfs/dbraw/zinc/71/93/93/371719393.db2.gz SSCOMXVEGUVBQE-AXFHLTTASA-N 1 3 214.378 1.422 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@]2(CCOC2)C1 ZINC000163263099 371962422 /nfs/dbraw/zinc/96/24/22/371962422.db2.gz POZQOGOLHROHTF-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@]2(CCOC2)C1 ZINC000163263099 371962430 /nfs/dbraw/zinc/96/24/30/371962430.db2.gz POZQOGOLHROHTF-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000631830534 372613304 /nfs/dbraw/zinc/61/33/04/372613304.db2.gz UZRMBZNSXJWZLB-UMSGYPCISA-N 1 3 224.348 1.225 20 0 BDADHO C[C@H]1C[N@H+](CCc2ccccc2)C[C@H]1CN ZINC000631836886 372624281 /nfs/dbraw/zinc/62/42/81/372624281.db2.gz IPJVBNVXVQCSHA-GXTWGEPZSA-N 1 3 218.344 1.756 20 0 BDADHO C[C@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CN ZINC000631836886 372624290 /nfs/dbraw/zinc/62/42/90/372624290.db2.gz IPJVBNVXVQCSHA-GXTWGEPZSA-N 1 3 218.344 1.756 20 0 BDADHO C[C@H]1CN(CCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836886 372624295 /nfs/dbraw/zinc/62/42/95/372624295.db2.gz IPJVBNVXVQCSHA-GXTWGEPZSA-N 1 3 218.344 1.756 20 0 BDADHO C[C@H]1CN(CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836566 372624653 /nfs/dbraw/zinc/62/46/53/372624653.db2.gz BRDXYKONKARCCD-DZGCQCFKSA-N 1 3 248.370 1.730 20 0 BDADHO Cc1cnccc1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837457 372627114 /nfs/dbraw/zinc/62/71/14/372627114.db2.gz SLRPOPNZUSZDBJ-DGCLKSJQSA-N 1 3 219.332 1.417 20 0 BDADHO CO[C@H](CN[C@H](C)CC[NH+](C)C)CC(C)C ZINC000669572613 487528094 /nfs/dbraw/zinc/52/80/94/487528094.db2.gz VZRZALCWHVKFEW-OLZOCXBDSA-N 1 3 230.396 1.977 20 0 BDADHO OCCNC1CC[NH+](CCCCCF)CC1 ZINC000631862114 372663771 /nfs/dbraw/zinc/66/37/71/372663771.db2.gz FHSHVUGEZBOPHC-UHFFFAOYSA-N 1 3 232.343 1.173 20 0 BDADHO CC(C)CCN1CCC([NH2+]CCO)CC1 ZINC000631865252 372666156 /nfs/dbraw/zinc/66/61/56/372666156.db2.gz DZGYCSAXCFVVHK-UHFFFAOYSA-N 1 3 214.353 1.079 20 0 BDADHO c1cncc(CC[N@@H+]2CCC[C@@H]3CNCC[C@H]32)c1 ZINC000631891034 372687010 /nfs/dbraw/zinc/68/70/10/372687010.db2.gz XLUCLDJSTFASCY-HUUCEWRRSA-N 1 3 245.370 1.698 20 0 BDADHO c1cncc(CC[N@H+]2CCC[C@@H]3CNCC[C@H]32)c1 ZINC000631891034 372687017 /nfs/dbraw/zinc/68/70/17/372687017.db2.gz XLUCLDJSTFASCY-HUUCEWRRSA-N 1 3 245.370 1.698 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378135 206039586 /nfs/dbraw/zinc/03/95/86/206039586.db2.gz SFCSOMCDABTUED-ZDEQEGDKSA-N 1 3 208.349 1.892 20 0 BDADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000359267307 169070710 /nfs/dbraw/zinc/07/07/10/169070710.db2.gz VEYDCPJQSFRFDR-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000359267307 169070713 /nfs/dbraw/zinc/07/07/13/169070713.db2.gz VEYDCPJQSFRFDR-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336701865 169078618 /nfs/dbraw/zinc/07/86/18/169078618.db2.gz JYTVYSSVAOGTKD-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336701865 169078620 /nfs/dbraw/zinc/07/86/20/169078620.db2.gz JYTVYSSVAOGTKD-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO Oc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000129176752 183269629 /nfs/dbraw/zinc/26/96/29/183269629.db2.gz FTQXKGUHWRWZRR-ZDUSSCGKSA-N 1 3 234.343 1.666 20 0 BDADHO Oc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000129176752 183269632 /nfs/dbraw/zinc/26/96/32/183269632.db2.gz FTQXKGUHWRWZRR-ZDUSSCGKSA-N 1 3 234.343 1.666 20 0 BDADHO CCC[NH+]1CCC(N(C)CCC[C@H](C)O)CC1 ZINC000336722928 169187067 /nfs/dbraw/zinc/18/70/67/169187067.db2.gz TXULEIRIAFBMGL-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000109787913 169187162 /nfs/dbraw/zinc/18/71/62/169187162.db2.gz BRYBQWFNHIBFGH-UHFFFAOYSA-N 1 3 214.353 1.175 20 0 BDADHO c1n[nH]c2c1CCC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000333234863 183320799 /nfs/dbraw/zinc/32/07/99/183320799.db2.gz CVHAWEYMLGWHQH-VXGBXAGGSA-N 1 3 234.347 1.519 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CCN(CC)C2)CC1 ZINC000328531740 169189801 /nfs/dbraw/zinc/18/98/01/169189801.db2.gz XTIGUEGOFHOKCS-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCN(CC)C2)CC1 ZINC000328531740 169189803 /nfs/dbraw/zinc/18/98/03/169189803.db2.gz XTIGUEGOFHOKCS-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO CCCN1CCC([NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049551868 169189870 /nfs/dbraw/zinc/18/98/70/169189870.db2.gz BXESLJQZCXZUQI-ZDUSSCGKSA-N 1 3 241.423 1.791 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000042543907 169190021 /nfs/dbraw/zinc/19/00/21/169190021.db2.gz BOFNKVLZXSJNIQ-ZDUSSCGKSA-N 1 3 225.380 1.155 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCN(C)C2)CC1 ZINC000042543907 169190024 /nfs/dbraw/zinc/19/00/24/169190024.db2.gz BOFNKVLZXSJNIQ-ZDUSSCGKSA-N 1 3 225.380 1.155 20 0 BDADHO c1c[nH]c([C@@H]2CCCN2CC2CC[NH2+]CC2)n1 ZINC000336285708 183327455 /nfs/dbraw/zinc/32/74/55/183327455.db2.gz WSJNSFGDJPHRRV-LBPRGKRZSA-N 1 3 234.347 1.546 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340205446 169207349 /nfs/dbraw/zinc/20/73/49/169207349.db2.gz XLRPLHCBTBMFGD-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCOC2(C)C)C1 ZINC000340205446 169207350 /nfs/dbraw/zinc/20/73/50/169207350.db2.gz XLRPLHCBTBMFGD-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCOC2(C)C)C1 ZINC000340205446 169207351 /nfs/dbraw/zinc/20/73/51/169207351.db2.gz XLRPLHCBTBMFGD-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN[C@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295171359 169285085 /nfs/dbraw/zinc/28/50/85/169285085.db2.gz GCTSMSRIAJYGCR-LLVKDONJSA-N 1 3 249.358 1.733 20 0 BDADHO c1ccc(CC[NH2+]C[C@H]2CCCNC2)cc1 ZINC000041231979 183393951 /nfs/dbraw/zinc/39/39/51/183393951.db2.gz SWSMFPHBGCLFFH-AWEZNQCLSA-N 1 3 218.344 1.818 20 0 BDADHO c1ccc(CCNC[C@H]2CCC[NH2+]C2)cc1 ZINC000041231979 183393952 /nfs/dbraw/zinc/39/39/52/183393952.db2.gz SWSMFPHBGCLFFH-AWEZNQCLSA-N 1 3 218.344 1.818 20 0 BDADHO CC(C)N(CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000179308636 134320293 /nfs/dbraw/zinc/32/02/93/134320293.db2.gz YEODWFGIHNHRNY-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO CC(C)N(CCO)CC[C@@H]1CCC[N@H+]1C ZINC000179308636 134320294 /nfs/dbraw/zinc/32/02/94/134320294.db2.gz YEODWFGIHNHRNY-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)CN(C)C ZINC000360185000 169509391 /nfs/dbraw/zinc/50/93/91/169509391.db2.gz OMBWHNRIHDACHZ-NEPJUHHUSA-N 1 3 243.395 1.219 20 0 BDADHO C[N@H+](CCCN)C[C@@H]1CCC(F)(F)C1 ZINC000301016323 383823592 /nfs/dbraw/zinc/82/35/92/383823592.db2.gz YSRKOMCMVYZLIO-SECBINFHSA-N 1 3 206.280 1.702 20 0 BDADHO C[N@@H+](CCCN)C[C@@H]1CCC(F)(F)C1 ZINC000301016323 383823596 /nfs/dbraw/zinc/82/35/96/383823596.db2.gz YSRKOMCMVYZLIO-SECBINFHSA-N 1 3 206.280 1.702 20 0 BDADHO CN(CCC[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000301016323 383823600 /nfs/dbraw/zinc/82/36/00/383823600.db2.gz YSRKOMCMVYZLIO-SECBINFHSA-N 1 3 206.280 1.702 20 0 BDADHO COC[C@H](NCC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795100 383876048 /nfs/dbraw/zinc/87/60/48/383876048.db2.gz ZSDLWABDJDLXAN-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@H](NCC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795100 383876056 /nfs/dbraw/zinc/87/60/56/383876056.db2.gz ZSDLWABDJDLXAN-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](CN[C@@H](C)CC[NH+](C)C)C1CC1 ZINC000400242110 383978675 /nfs/dbraw/zinc/97/86/75/383978675.db2.gz GNHSMDTZHJCVSY-CMPLNLGQSA-N 1 3 214.353 1.341 20 0 BDADHO CN(C)CC[N@H+](C)CCCN(C)CC1(F)CC1 ZINC000558424730 383995870 /nfs/dbraw/zinc/99/58/70/383995870.db2.gz BGDDWVUUMSFSLG-UHFFFAOYSA-N 1 3 245.386 1.304 20 0 BDADHO CN(C)CC[N@@H+](C)CCCN(C)CC1(F)CC1 ZINC000558424730 383995875 /nfs/dbraw/zinc/99/58/75/383995875.db2.gz BGDDWVUUMSFSLG-UHFFFAOYSA-N 1 3 245.386 1.304 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000400233463 383943902 /nfs/dbraw/zinc/94/39/02/383943902.db2.gz SXLRCJADUIIUPS-AAEUAGOBSA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNC[C@H](OC)C2CC2)C1 ZINC000400233463 383943907 /nfs/dbraw/zinc/94/39/07/383943907.db2.gz SXLRCJADUIIUPS-AAEUAGOBSA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@H+]1CC[C@@H](CNC[C@H](OC)C2CC2)C1 ZINC000400233463 383943915 /nfs/dbraw/zinc/94/39/15/383943915.db2.gz SXLRCJADUIIUPS-AAEUAGOBSA-N 1 3 226.364 1.343 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C(C)C ZINC000643546643 384016953 /nfs/dbraw/zinc/01/69/53/384016953.db2.gz SJRPAXLHLZAFPP-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)C(C)C ZINC000643546643 384016955 /nfs/dbraw/zinc/01/69/55/384016955.db2.gz SJRPAXLHLZAFPP-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401787174 384004267 /nfs/dbraw/zinc/00/42/67/384004267.db2.gz LMTMTZNFLNGVDF-NEPJUHHUSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](CCCCO)N[C@@H]1CCCC[NH2+]C1 ZINC000643545298 384012660 /nfs/dbraw/zinc/01/26/60/384012660.db2.gz XCRRHTDUSAMKKE-VXGBXAGGSA-N 1 3 214.353 1.269 20 0 BDADHO CO[C@H](C)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000223896298 384050850 /nfs/dbraw/zinc/05/08/50/384050850.db2.gz VBSACFWNWZXJHX-OASPWFOLSA-N 1 3 220.316 1.756 20 0 BDADHO CC(C)N1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000091007362 384088876 /nfs/dbraw/zinc/08/88/76/384088876.db2.gz AWQRTRKBMNMPMV-UHFFFAOYSA-N 1 3 235.375 1.988 20 0 BDADHO C[C@H]([NH3+])CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000070315446 384098814 /nfs/dbraw/zinc/09/88/14/384098814.db2.gz ONEGZWKMJUECOV-NSHDSACASA-N 1 3 249.358 1.814 20 0 BDADHO C[C@@H]1[C@H](C)N(C)CCN1CC[NH+]1CCCCC1 ZINC000335895731 384092526 /nfs/dbraw/zinc/09/25/26/384092526.db2.gz AUKUHRFBZLPBRW-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO Cn1ccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000091008380 384093334 /nfs/dbraw/zinc/09/33/34/384093334.db2.gz DSMYSUBIJFLOMZ-UHFFFAOYSA-N 1 3 233.359 1.742 20 0 BDADHO CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040802597 384166449 /nfs/dbraw/zinc/16/64/49/384166449.db2.gz IIOAJCGKAXNRHC-STQMWFEESA-N 1 3 249.358 1.143 20 0 BDADHO N[C@@H](CC(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000163270688 384201167 /nfs/dbraw/zinc/20/11/67/384201167.db2.gz CJXRTIFHCLHORG-STQMWFEESA-N 1 3 247.342 1.026 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236201386 384238141 /nfs/dbraw/zinc/23/81/41/384238141.db2.gz BOEFZLJFFKRPEG-OLZOCXBDSA-N 1 3 226.364 1.520 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOCC1CC1 ZINC000236201386 384238151 /nfs/dbraw/zinc/23/81/51/384238151.db2.gz BOEFZLJFFKRPEG-OLZOCXBDSA-N 1 3 226.364 1.520 20 0 BDADHO CN(Cc1cccn1C)CC1CC[NH+](C)CC1 ZINC000093089320 384210344 /nfs/dbraw/zinc/21/03/44/384210344.db2.gz ACTHJKXBURZNJJ-UHFFFAOYSA-N 1 3 235.375 1.799 20 0 BDADHO Cn1ccc(CNC[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000569555449 384229092 /nfs/dbraw/zinc/22/90/92/384229092.db2.gz QVJFYISLZAVDCA-HAQNSBGRSA-N 1 3 236.363 1.275 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CO1 ZINC000401909516 384246573 /nfs/dbraw/zinc/24/65/73/384246573.db2.gz VWQFWHIFIKIBBB-VXGBXAGGSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)CO1 ZINC000401909516 384246580 /nfs/dbraw/zinc/24/65/80/384246580.db2.gz VWQFWHIFIKIBBB-VXGBXAGGSA-N 1 3 212.337 1.239 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000069626579 384247336 /nfs/dbraw/zinc/24/73/36/384247336.db2.gz BNGXQTPMSKCKFQ-LBPRGKRZSA-N 1 3 219.332 1.642 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2CO[C@H](C)C2)[C@@H](C)C1 ZINC000566216247 384255062 /nfs/dbraw/zinc/25/50/62/384255062.db2.gz XDIOLUBRNQEHKK-RNJOBUHISA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2CO[C@H](C)C2)[C@@H](C)C1 ZINC000566216247 384255064 /nfs/dbraw/zinc/25/50/64/384255064.db2.gz XDIOLUBRNQEHKK-RNJOBUHISA-N 1 3 226.364 1.484 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC000228474042 384257804 /nfs/dbraw/zinc/25/78/04/384257804.db2.gz MSRUTIOSCBMISJ-OPRDCNLKSA-N 1 3 236.281 1.998 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000558726697 384265005 /nfs/dbraw/zinc/26/50/05/384265005.db2.gz GAPUTSJMFHFVNH-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000558726697 384265009 /nfs/dbraw/zinc/26/50/09/384265009.db2.gz GAPUTSJMFHFVNH-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)CN(C)C ZINC000168746997 384306253 /nfs/dbraw/zinc/30/62/53/384306253.db2.gz UVAHBPOQZYWAKE-RDBSUJKOSA-N 1 3 241.423 1.837 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCCOC)C1 ZINC000173890219 384279330 /nfs/dbraw/zinc/27/93/30/384279330.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCCOC)C1 ZINC000173890219 384279336 /nfs/dbraw/zinc/27/93/36/384279336.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCCOC)C1 ZINC000173890219 384279339 /nfs/dbraw/zinc/27/93/39/384279339.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCCOC)C1 ZINC000173890219 384279343 /nfs/dbraw/zinc/27/93/43/384279343.db2.gz AYRVSWKYAIPKJR-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)CN1CCCCC1 ZINC000401915106 384279304 /nfs/dbraw/zinc/27/93/04/384279304.db2.gz AMNXAVXPFSBFDP-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000401915106 384279314 /nfs/dbraw/zinc/27/93/14/384279314.db2.gz AMNXAVXPFSBFDP-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[C@H](NCCC[NH+]2CCCCC2)CO1 ZINC000401914281 384280624 /nfs/dbraw/zinc/28/06/24/384280624.db2.gz ZNEKANLIRNCGKF-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO C[NH+](C)CCCCNCc1cn2ccccc2n1 ZINC000045698529 384402049 /nfs/dbraw/zinc/40/20/49/384402049.db2.gz ZIZFQAQEGRHBLU-UHFFFAOYSA-N 1 3 246.358 1.766 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCC1=CCCOC1 ZINC000335606858 384377499 /nfs/dbraw/zinc/37/74/99/384377499.db2.gz YWAQYMGCMNPTKH-AAEUAGOBSA-N 1 3 224.348 1.263 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1=CCCOC1 ZINC000335606858 384377503 /nfs/dbraw/zinc/37/75/03/384377503.db2.gz YWAQYMGCMNPTKH-AAEUAGOBSA-N 1 3 224.348 1.263 20 0 BDADHO CCCCOCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000084220393 384378180 /nfs/dbraw/zinc/37/81/80/384378180.db2.gz PPACKNTYMHRLSH-NWDGAFQWSA-N 1 3 214.353 1.520 20 0 BDADHO CCCCOCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000084220393 384378186 /nfs/dbraw/zinc/37/81/86/384378186.db2.gz PPACKNTYMHRLSH-NWDGAFQWSA-N 1 3 214.353 1.520 20 0 BDADHO Cc1csc(CNC[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000235671458 384383800 /nfs/dbraw/zinc/38/38/00/384383800.db2.gz HIWQTFBVBBFWAG-GXSJLCMTSA-N 1 3 239.388 1.929 20 0 BDADHO CCN(C[C@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513884 384427935 /nfs/dbraw/zinc/42/79/35/384427935.db2.gz NFWMBXGGVCMTOG-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CCOCC1 ZINC000082544844 384430988 /nfs/dbraw/zinc/43/09/88/384430988.db2.gz VGZAXBZNHVMUBS-JQWIXIFHSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CCOCC1 ZINC000082544844 384430993 /nfs/dbraw/zinc/43/09/93/384430993.db2.gz VGZAXBZNHVMUBS-JQWIXIFHSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CCOCC1 ZINC000082544844 384430999 /nfs/dbraw/zinc/43/09/99/384430999.db2.gz VGZAXBZNHVMUBS-JQWIXIFHSA-N 1 3 212.337 1.225 20 0 BDADHO C([NH2+][C@H]1CCNC1)C1CCSCC1 ZINC000229216578 384462105 /nfs/dbraw/zinc/46/21/05/384462105.db2.gz RBPYPLLJMMNDIF-JTQLQIEISA-N 1 3 200.351 1.081 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000151129863 384542048 /nfs/dbraw/zinc/54/20/48/384542048.db2.gz CWSZBOKVOFBBDZ-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](C)CNC[C@H]1[NH2+]CCCC1(C)C ZINC000556938315 384668457 /nfs/dbraw/zinc/66/84/57/384668457.db2.gz WNQAYJXQZNUEDV-NWDGAFQWSA-N 1 3 228.380 1.637 20 0 BDADHO Nc1ccc(CN2CCC[C@H](CC[NH3+])C2)cn1 ZINC000647535835 384648640 /nfs/dbraw/zinc/64/86/40/384648640.db2.gz YAJDPJYEJSPYGC-LLVKDONJSA-N 1 3 234.347 1.055 20 0 BDADHO CN1CCC[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000044534692 384659465 /nfs/dbraw/zinc/65/94/65/384659465.db2.gz GTVWZUCUVJFKFH-ZDUSSCGKSA-N 1 3 234.343 1.824 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CO[C@@H](C)C2)CC1 ZINC000335426465 384723039 /nfs/dbraw/zinc/72/30/39/384723039.db2.gz WGXTVWAALREZMZ-WCQYABFASA-N 1 3 226.364 1.626 20 0 BDADHO COc1ccccc1CCN(C)CCC[NH3+] ZINC000049819002 384690484 /nfs/dbraw/zinc/69/04/84/384690484.db2.gz KHAIKBDCMCPMFX-UHFFFAOYSA-N 1 3 222.332 1.518 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000530548358 384738644 /nfs/dbraw/zinc/73/86/44/384738644.db2.gz HSXCFKLIBGCONM-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H](C)C[N@H+]1CCCC12CCN(C)CC2 ZINC000530548358 384738646 /nfs/dbraw/zinc/73/86/46/384738646.db2.gz HSXCFKLIBGCONM-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000375854884 384826242 /nfs/dbraw/zinc/82/62/42/384826242.db2.gz WXGABCFMGVFOOP-NSHDSACASA-N 1 3 222.336 1.328 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CC[C@H](C)O1 ZINC000398179710 384830862 /nfs/dbraw/zinc/83/08/62/384830862.db2.gz SBKFKQLHCZBTJM-MROQNXINSA-N 1 3 226.364 1.674 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN(C)C)C1(C)C ZINC000310100020 384831248 /nfs/dbraw/zinc/83/12/48/384831248.db2.gz BBLJPVKBPHAGGU-FRRDWIJNSA-N 1 3 242.407 1.977 20 0 BDADHO C[NH2+]CCN[C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423247027 384783402 /nfs/dbraw/zinc/78/34/02/384783402.db2.gz OPVCMQYTZPNKEW-GJZGRUSLSA-N 1 3 247.386 1.631 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000126373146 384795069 /nfs/dbraw/zinc/79/50/69/384795069.db2.gz SIAFUAWUGSZIKD-UONOGXRCSA-N 1 3 235.375 1.988 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)O1 ZINC000398082009 384796724 /nfs/dbraw/zinc/79/67/24/384796724.db2.gz KIGAVIPITPKULS-XQHKEYJVSA-N 1 3 226.364 1.661 20 0 BDADHO CCCCC[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077339232 384872473 /nfs/dbraw/zinc/87/24/73/384872473.db2.gz KATHWTALTUWKNT-ZDUSSCGKSA-N 1 3 225.380 1.156 20 0 BDADHO CCCCC[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077339232 384872481 /nfs/dbraw/zinc/87/24/81/384872481.db2.gz KATHWTALTUWKNT-ZDUSSCGKSA-N 1 3 225.380 1.156 20 0 BDADHO C[N@H+](CCCC(C)(C)C)C[C@H](O)CN ZINC000308668455 384908503 /nfs/dbraw/zinc/90/85/03/384908503.db2.gz UKDWDXAQWUKQIU-SNVBAGLBSA-N 1 3 202.342 1.064 20 0 BDADHO C[N@@H+](CCCC(C)(C)C)C[C@H](O)CN ZINC000308668455 384908509 /nfs/dbraw/zinc/90/85/09/384908509.db2.gz UKDWDXAQWUKQIU-SNVBAGLBSA-N 1 3 202.342 1.064 20 0 BDADHO CN(CCCC(C)(C)C)C[C@H](O)C[NH3+] ZINC000308668455 384908514 /nfs/dbraw/zinc/90/85/14/384908514.db2.gz UKDWDXAQWUKQIU-SNVBAGLBSA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)([NH3+])CCC(=O)Nc1cccc(CN)c1 ZINC000647607420 384934841 /nfs/dbraw/zinc/93/48/41/384934841.db2.gz OQIIASFJFDXMRT-UHFFFAOYSA-N 1 3 235.331 1.601 20 0 BDADHO Cc1ccc2c(c1)[C@@H](NCCC[NH3+])CC2 ZINC000129362690 384998305 /nfs/dbraw/zinc/99/83/05/384998305.db2.gz BQNUTGBRWQQFPI-ZDUSSCGKSA-N 1 3 204.317 1.921 20 0 BDADHO CC(C)[C@@H]1CC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000423494608 385002274 /nfs/dbraw/zinc/00/22/74/385002274.db2.gz SIOZZULIONNINA-AGIUHOORSA-N 1 3 226.364 1.389 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399640 385008601 /nfs/dbraw/zinc/00/86/01/385008601.db2.gz JFMWSKZWXFSPBK-MFKMUULPSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399640 385008604 /nfs/dbraw/zinc/00/86/04/385008604.db2.gz JFMWSKZWXFSPBK-MFKMUULPSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494262 385019538 /nfs/dbraw/zinc/01/95/38/385019538.db2.gz HNZZFHSYVRSVSB-QNWHQSFQSA-N 1 3 226.364 1.268 20 0 BDADHO CC[C@@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000644622724 385031131 /nfs/dbraw/zinc/03/11/31/385031131.db2.gz KQBLJQCMQCDKKQ-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN[C@H]1COCC1(C)C ZINC000313026675 385197431 /nfs/dbraw/zinc/19/74/31/385197431.db2.gz IGENAJSBJGGYRY-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN[C@H]1COCC1(C)C ZINC000313026675 385197435 /nfs/dbraw/zinc/19/74/35/385197435.db2.gz IGENAJSBJGGYRY-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C(CN(C1CC1)C1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000647482692 385211884 /nfs/dbraw/zinc/21/18/84/385211884.db2.gz YQXFEIDDGZWMDL-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)C1CCOCC1 ZINC000178414937 385249559 /nfs/dbraw/zinc/24/95/59/385249559.db2.gz BLWAEIPAXDRRAJ-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO OCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157902936 385304401 /nfs/dbraw/zinc/30/44/01/385304401.db2.gz QXHPLKBNBOBDOP-OLZOCXBDSA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157902936 385304406 /nfs/dbraw/zinc/30/44/06/385304406.db2.gz QXHPLKBNBOBDOP-OLZOCXBDSA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000157902936 385304408 /nfs/dbraw/zinc/30/44/08/385304408.db2.gz QXHPLKBNBOBDOP-OLZOCXBDSA-N 1 3 226.364 1.365 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)CN(C)C ZINC000308925293 385297762 /nfs/dbraw/zinc/29/77/62/385297762.db2.gz PYIILOZQSVLNAV-WOPDTQHZSA-N 1 3 214.353 1.199 20 0 BDADHO C[C@@H]1C[C@@H](NCCOC(F)(F)F)CC[N@@H+]1C ZINC000158226048 385370172 /nfs/dbraw/zinc/37/01/72/385370172.db2.gz YZMAXNISVMVEHE-BDAKNGLRSA-N 1 3 240.269 1.595 20 0 BDADHO C[C@@H]1C[C@@H](NCCOC(F)(F)F)CC[N@H+]1C ZINC000158226048 385370175 /nfs/dbraw/zinc/37/01/75/385370175.db2.gz YZMAXNISVMVEHE-BDAKNGLRSA-N 1 3 240.269 1.595 20 0 BDADHO CN1C[C@@H]2CC[N@H+](CC[C@H]3CCCN3C)[C@@H]2C1 ZINC000644736020 385370874 /nfs/dbraw/zinc/37/08/74/385370874.db2.gz HQXNIVBQIYDOBU-BFHYXJOUSA-N 1 3 237.391 1.107 20 0 BDADHO CN1C[C@@H]2CC[N@@H+](CC[C@H]3CCCN3C)[C@@H]2C1 ZINC000644736020 385370875 /nfs/dbraw/zinc/37/08/75/385370875.db2.gz HQXNIVBQIYDOBU-BFHYXJOUSA-N 1 3 237.391 1.107 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](CO)C(C)C ZINC000309036627 385374086 /nfs/dbraw/zinc/37/40/86/385374086.db2.gz IMROLRGHTGOAFA-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CCCN[C@H](CO)C(C)C ZINC000309036627 385374089 /nfs/dbraw/zinc/37/40/89/385374089.db2.gz IMROLRGHTGOAFA-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO COC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195543 385384798 /nfs/dbraw/zinc/38/47/98/385384798.db2.gz VCEHBRZGTIQUMB-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO COC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195543 385384802 /nfs/dbraw/zinc/38/48/02/385384802.db2.gz VCEHBRZGTIQUMB-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCC[C@@H]1CCCCO1 ZINC000405249346 385399150 /nfs/dbraw/zinc/39/91/50/385399150.db2.gz IZBUJABJPKLUGP-QJPTWQEYSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)[C@H]1C ZINC000309093025 385414364 /nfs/dbraw/zinc/41/43/64/385414364.db2.gz BWFGOBDUUKZOTJ-MDZLAQPJSA-N 1 3 208.349 1.882 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCCO1 ZINC000183278266 385515437 /nfs/dbraw/zinc/51/54/37/385515437.db2.gz RJEBIOWCSMYDON-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183278266 385515442 /nfs/dbraw/zinc/51/54/42/385515442.db2.gz RJEBIOWCSMYDON-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CC2(OC)CCCC2)C1 ZINC000309485450 385614208 /nfs/dbraw/zinc/61/42/08/385614208.db2.gz GGRYRGITLKAINW-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CNC[C@@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000309485450 385614213 /nfs/dbraw/zinc/61/42/13/385614213.db2.gz GGRYRGITLKAINW-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CNC[C@@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000309485450 385614220 /nfs/dbraw/zinc/61/42/20/385614220.db2.gz GGRYRGITLKAINW-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CCCNC1 ZINC000414849110 385617506 /nfs/dbraw/zinc/61/75/06/385617506.db2.gz HDDLHIHCJWVYKQ-TUAOUCFPSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](N[C@H]1CCCSC1)[C@@H]1CCC[NH2+]C1 ZINC000414849110 385617510 /nfs/dbraw/zinc/61/75/10/385617510.db2.gz HDDLHIHCJWVYKQ-TUAOUCFPSA-N 1 3 228.405 1.860 20 0 BDADHO COC(=O)C1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000414849179 385624775 /nfs/dbraw/zinc/62/47/75/385624775.db2.gz QZVCPGLSCPGAPK-MCIGGMRASA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)[C@H]1C ZINC000309509193 385643922 /nfs/dbraw/zinc/64/39/22/385643922.db2.gz WTUGMAIZUCCEPY-WOPDTQHZSA-N 1 3 226.364 1.077 20 0 BDADHO CCCN(C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000308790720 385654214 /nfs/dbraw/zinc/65/42/14/385654214.db2.gz AYIDIDQWNVQCHV-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO CCCN(C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000308790720 385654220 /nfs/dbraw/zinc/65/42/20/385654220.db2.gz AYIDIDQWNVQCHV-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO CN(C[C@@H]1CCSC1)C1CC([NH3+])C1 ZINC000307223213 385666114 /nfs/dbraw/zinc/66/61/14/385666114.db2.gz RMIZAIDTXJWESO-IDKOKCKLSA-N 1 3 200.351 1.161 20 0 BDADHO C[N@H+](C[C@@H]1CCSC1)C1CC(N)C1 ZINC000307223213 385666119 /nfs/dbraw/zinc/66/61/19/385666119.db2.gz RMIZAIDTXJWESO-IDKOKCKLSA-N 1 3 200.351 1.161 20 0 BDADHO C[N@@H+](C[C@@H]1CCSC1)C1CC(N)C1 ZINC000307223213 385666121 /nfs/dbraw/zinc/66/61/21/385666121.db2.gz RMIZAIDTXJWESO-IDKOKCKLSA-N 1 3 200.351 1.161 20 0 BDADHO CCN(CC)CC(=O)N(CC)CCC[NH+](C)C ZINC000337548420 385706162 /nfs/dbraw/zinc/70/61/62/385706162.db2.gz DZMOQQIITHQXKF-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)C(C)C ZINC000336740423 385714072 /nfs/dbraw/zinc/71/40/72/385714072.db2.gz QGZHIJKSPBIZIT-GFCCVEGCSA-N 1 3 228.380 1.467 20 0 BDADHO CNCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414856488 385714861 /nfs/dbraw/zinc/71/48/61/385714861.db2.gz ALUHQBLHWUDWMW-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414856488 385714863 /nfs/dbraw/zinc/71/48/63/385714863.db2.gz ALUHQBLHWUDWMW-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1ccc(F)cc1 ZINC000414857779 385732613 /nfs/dbraw/zinc/73/26/13/385732613.db2.gz FZGOFKUAFOYIBO-LLVKDONJSA-N 1 3 224.323 1.956 20 0 BDADHO COC[C@H](CC(C)C)NC[C@H]1CCC[NH2+]C1 ZINC000414859843 385738119 /nfs/dbraw/zinc/73/81/19/385738119.db2.gz UTJPCQFQCPCAQN-STQMWFEESA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]C[C@H]1CCCNC1 ZINC000414859843 385738124 /nfs/dbraw/zinc/73/81/24/385738124.db2.gz UTJPCQFQCPCAQN-STQMWFEESA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1C ZINC000336694841 385742089 /nfs/dbraw/zinc/74/20/89/385742089.db2.gz NPHZPYOTZJYICL-GRYCIOLGSA-N 1 3 214.353 1.199 20 0 BDADHO CCCC[C@H](COC)NC[C@@H]1CCC[NH2+]C1 ZINC000414860877 385742601 /nfs/dbraw/zinc/74/26/01/385742601.db2.gz WCPICYDQPSNBER-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CCCC[C@H](COC)[NH2+]C[C@@H]1CCCNC1 ZINC000414860877 385742610 /nfs/dbraw/zinc/74/26/10/385742610.db2.gz WCPICYDQPSNBER-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+]CCCNC)CCO1 ZINC000414861649 385752828 /nfs/dbraw/zinc/75/28/28/385752828.db2.gz SPXBEOQWERFWER-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000414944355 385777455 /nfs/dbraw/zinc/77/74/55/385777455.db2.gz NSMTXEWTVCRCMK-YDHLFZDLSA-N 1 3 247.386 1.444 20 0 BDADHO Cc1ccc(CCC[NH2+][C@H]2CCNC[C@H]2C)cn1 ZINC000414946344 385798070 /nfs/dbraw/zinc/79/80/70/385798070.db2.gz TVKDOWBRXDIPJN-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000414867942 385808172 /nfs/dbraw/zinc/80/81/72/385808172.db2.gz GWADUQOHISSVEP-JHJVBQTASA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)CC(F)F ZINC000647800724 385809547 /nfs/dbraw/zinc/80/95/47/385809547.db2.gz JOGRKBWZJBKVSL-HTQZYQBOSA-N 1 3 206.280 1.475 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414946688 385809679 /nfs/dbraw/zinc/80/96/79/385809679.db2.gz JTHCPTBZMNYKIP-MBNYWOFBSA-N 1 3 240.391 1.922 20 0 BDADHO CCOCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397307854 385817103 /nfs/dbraw/zinc/81/71/03/385817103.db2.gz HTLFHJKDZMOTFV-SRVKXCTJSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)OC ZINC000412977984 385825801 /nfs/dbraw/zinc/82/58/01/385825801.db2.gz OLRSFUNAKCPWSH-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO CC(C)c1ccc([C@H](N)CNC(=O)CC[NH3+])cc1 ZINC000262458173 385849753 /nfs/dbraw/zinc/84/97/53/385849753.db2.gz URNDAWUTMPWICN-CYBMUJFWSA-N 1 3 249.358 1.275 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000336656793 385794065 /nfs/dbraw/zinc/79/40/65/385794065.db2.gz MCIMHNARHSTRLR-XJFOESAGSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+]C1(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCC1 ZINC000414874657 385887561 /nfs/dbraw/zinc/88/75/61/385887561.db2.gz IRGAAONMTRSFRC-UTUOFQBUSA-N 1 3 236.359 1.415 20 0 BDADHO CCCNCC[NH2+][C@@H](COC)CC(C)C ZINC000414875497 385897324 /nfs/dbraw/zinc/89/73/24/385897324.db2.gz UNQXYWGWUOMACJ-GFCCVEGCSA-N 1 3 216.369 1.637 20 0 BDADHO C[N@H+](CCCN)CCCCC(F)(F)F ZINC000647847554 385899095 /nfs/dbraw/zinc/89/90/95/385899095.db2.gz UDVZKDAPDKCGAU-UHFFFAOYSA-N 1 3 212.259 2.000 20 0 BDADHO C[N@@H+](CCCN)CCCCC(F)(F)F ZINC000647847554 385899098 /nfs/dbraw/zinc/89/90/98/385899098.db2.gz UDVZKDAPDKCGAU-UHFFFAOYSA-N 1 3 212.259 2.000 20 0 BDADHO CN(CCC[NH3+])CCCCC(F)(F)F ZINC000647847554 385899102 /nfs/dbraw/zinc/89/91/02/385899102.db2.gz UDVZKDAPDKCGAU-UHFFFAOYSA-N 1 3 212.259 2.000 20 0 BDADHO CC(C)n1ccc(C[C@@H](C)NC[C@H](C)C[NH3+])n1 ZINC000414876553 385909367 /nfs/dbraw/zinc/90/93/67/385909367.db2.gz LNUPJGBKGLBTKW-VXGBXAGGSA-N 1 3 238.379 1.579 20 0 BDADHO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN)n1 ZINC000414876553 385909372 /nfs/dbraw/zinc/90/93/72/385909372.db2.gz LNUPJGBKGLBTKW-VXGBXAGGSA-N 1 3 238.379 1.579 20 0 BDADHO COCC[C@H](C)[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000122353986 385912694 /nfs/dbraw/zinc/91/26/94/385912694.db2.gz GCYQIDRSUDGKFT-AXFHLTTASA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1C[C@H](CN)C[C@H]1C ZINC000122353986 385912698 /nfs/dbraw/zinc/91/26/98/385912698.db2.gz GCYQIDRSUDGKFT-AXFHLTTASA-N 1 3 200.326 1.081 20 0 BDADHO CC[NH2+][C@H](C)CNC1CCC(OC)CC1 ZINC000414966957 385926164 /nfs/dbraw/zinc/92/61/64/385926164.db2.gz XCBBWDOYFSXFKK-VOMCLLRMSA-N 1 3 214.353 1.532 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](N)c1ccccc1 ZINC000262575478 385862302 /nfs/dbraw/zinc/86/23/02/385862302.db2.gz JDYUJGKJNTURTQ-TZMCWYRMSA-N 1 3 249.358 1.320 20 0 BDADHO C([C@H]1CCC[NH2+]C1)N1CCN2CCCC[C@H]2C1 ZINC000250812955 385927838 /nfs/dbraw/zinc/92/78/38/385927838.db2.gz DQBYNFUWAIGCSJ-KBPBESRZSA-N 1 3 237.391 1.156 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1Cc2ccccc2O1 ZINC000250860471 385928067 /nfs/dbraw/zinc/92/80/67/385928067.db2.gz SKEVRIHLDJNTOL-MJBXVCDLSA-N 1 3 246.354 1.707 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000250860471 385928074 /nfs/dbraw/zinc/92/80/74/385928074.db2.gz SKEVRIHLDJNTOL-MJBXVCDLSA-N 1 3 246.354 1.707 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000335018393 385978852 /nfs/dbraw/zinc/97/88/52/385978852.db2.gz HHVDHACFOSYRIH-ZIAGYGMSSA-N 1 3 239.407 1.720 20 0 BDADHO CC[NH+](CC)CCCN1C[C@@H](C)N(C)C[C@@H]1C ZINC000338287804 385942866 /nfs/dbraw/zinc/94/28/66/385942866.db2.gz WBNAFGNUDADJCC-KGLIPLIRSA-N 1 3 241.423 1.743 20 0 BDADHO CC1([NH3+])CCN(CC[C@H]2CCCO2)CC1 ZINC000647924264 385949065 /nfs/dbraw/zinc/94/90/65/385949065.db2.gz SSNLHRXRJZPAKK-LLVKDONJSA-N 1 3 212.337 1.369 20 0 BDADHO CCN(CC)CCC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000338281965 385949108 /nfs/dbraw/zinc/94/91/08/385949108.db2.gz NWXWLUBBDCGSDJ-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000338281965 385949116 /nfs/dbraw/zinc/94/91/16/385949116.db2.gz NWXWLUBBDCGSDJ-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000338281968 385950040 /nfs/dbraw/zinc/95/00/40/385950040.db2.gz NWXWLUBBDCGSDJ-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000338281968 385950046 /nfs/dbraw/zinc/95/00/46/385950046.db2.gz NWXWLUBBDCGSDJ-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000338304733 385954106 /nfs/dbraw/zinc/95/41/06/385954106.db2.gz HKSZJMHPXDWCAF-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000338304733 385954110 /nfs/dbraw/zinc/95/41/10/385954110.db2.gz HKSZJMHPXDWCAF-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C1 ZINC000304644944 385954559 /nfs/dbraw/zinc/95/45/59/385954559.db2.gz SVIIFRUMPSWDNO-LOWDOPEQSA-N 1 3 226.364 1.397 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251240662 385959977 /nfs/dbraw/zinc/95/99/77/385959977.db2.gz ITXSGTHRSHGYMT-DGAVXFQQSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCCCCC1 ZINC000335058784 385962261 /nfs/dbraw/zinc/96/22/61/385962261.db2.gz KGITZXKPMRLODA-QWHCGFSZSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@H]1CN(C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335058784 385962264 /nfs/dbraw/zinc/96/22/64/385962264.db2.gz KGITZXKPMRLODA-QWHCGFSZSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414881592 385997592 /nfs/dbraw/zinc/99/75/92/385997592.db2.gz SKKWDXSQDYECMD-MNOVXSKESA-N 1 3 214.353 1.376 20 0 BDADHO C[C@@H](CO)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000157297127 386002011 /nfs/dbraw/zinc/00/20/11/386002011.db2.gz UHWHQDPSACDLKS-UWJYBYFXSA-N 1 3 206.289 1.102 20 0 BDADHO CN(C)c1ccncc1C[NH2+]C1CCN(C)CC1 ZINC000273571657 386014400 /nfs/dbraw/zinc/01/44/00/386014400.db2.gz GNHUZIDISFMQNL-UHFFFAOYSA-N 1 3 248.374 1.331 20 0 BDADHO CC(=O)Nc1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000414882781 386020848 /nfs/dbraw/zinc/02/08/48/386020848.db2.gz UJRSGNKEDVZBNW-SNVBAGLBSA-N 1 3 235.331 1.329 20 0 BDADHO COc1cc(C[NH2+]CC2(N)CCC2)ccc1C ZINC000414884023 386032855 /nfs/dbraw/zinc/03/28/55/386032855.db2.gz VKKMZKPDWXIDTC-UHFFFAOYSA-N 1 3 234.343 1.975 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)CCO1 ZINC000335064051 386034368 /nfs/dbraw/zinc/03/43/68/386034368.db2.gz RSYXANPLRQDXRE-ABAIWWIYSA-N 1 3 246.354 1.947 20 0 BDADHO CC(C)[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC000414885372 386053618 /nfs/dbraw/zinc/05/36/18/386053618.db2.gz GKFSYMGBLJGENX-RWMBFGLXSA-N 1 3 226.364 1.532 20 0 BDADHO c1ccc(OCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000129195736 386063597 /nfs/dbraw/zinc/06/35/97/386063597.db2.gz NIEPVNNGUXWPAD-ZDUSSCGKSA-N 1 3 234.343 1.797 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000345224150 386071289 /nfs/dbraw/zinc/07/12/89/386071289.db2.gz CBUNPLWGCCFQOH-CYBMUJFWSA-N 1 3 238.379 1.592 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+]C[C@H](C)CN)CCO1 ZINC000414886391 386076183 /nfs/dbraw/zinc/07/61/83/386076183.db2.gz XYELROZTODMCSN-IJLUTSLNSA-N 1 3 214.353 1.374 20 0 BDADHO CSC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404932 386079022 /nfs/dbraw/zinc/07/90/22/386079022.db2.gz RLQJCHUSQOKUTO-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO CSC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404932 386079025 /nfs/dbraw/zinc/07/90/25/386079025.db2.gz RLQJCHUSQOKUTO-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)CCC(F)(F)F ZINC000414887139 386082304 /nfs/dbraw/zinc/08/23/04/386082304.db2.gz YUJUUSVRYAGYHU-HTQZYQBOSA-N 1 3 212.259 1.902 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000414887141 386083188 /nfs/dbraw/zinc/08/31/88/386083188.db2.gz YUJUUSVRYAGYHU-SFYZADRCSA-N 1 3 212.259 1.902 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](CO)C1 ZINC000414662496 386098283 /nfs/dbraw/zinc/09/82/83/386098283.db2.gz ACIPFRRKBQIQHK-RYUDHWBXSA-N 1 3 214.353 1.064 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](CO)C1 ZINC000414662496 386098290 /nfs/dbraw/zinc/09/82/90/386098290.db2.gz ACIPFRRKBQIQHK-RYUDHWBXSA-N 1 3 214.353 1.064 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000414662497 386099748 /nfs/dbraw/zinc/09/97/48/386099748.db2.gz ACIPFRRKBQIQHK-VXGBXAGGSA-N 1 3 214.353 1.064 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](CO)C1 ZINC000414662497 386099750 /nfs/dbraw/zinc/09/97/50/386099750.db2.gz ACIPFRRKBQIQHK-VXGBXAGGSA-N 1 3 214.353 1.064 20 0 BDADHO Cc1cc(CNC[C@@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000414994945 386168246 /nfs/dbraw/zinc/16/82/46/386168246.db2.gz FERJFQXDVGSDDU-VXGBXAGGSA-N 1 3 236.363 1.336 20 0 BDADHO Cc1cc(CNC[C@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000414994941 386168727 /nfs/dbraw/zinc/16/87/27/386168727.db2.gz FERJFQXDVGSDDU-NWDGAFQWSA-N 1 3 236.363 1.336 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](N)C1 ZINC000346086181 386140967 /nfs/dbraw/zinc/14/09/67/386140967.db2.gz IFMYMCVVWLVKAR-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](N)C1 ZINC000346086181 386140969 /nfs/dbraw/zinc/14/09/69/386140969.db2.gz IFMYMCVVWLVKAR-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CCS[C@H]1CC[C@H]([N@H+](C)CCCN)C1 ZINC000414712644 386230444 /nfs/dbraw/zinc/23/04/44/386230444.db2.gz UXCMPICJZYUFFE-QWRGUYRKSA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@H]1CC[C@H]([N@@H+](C)CCCN)C1 ZINC000414712644 386230448 /nfs/dbraw/zinc/23/04/48/386230448.db2.gz UXCMPICJZYUFFE-QWRGUYRKSA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@H]1CC[C@H](N(C)CCC[NH3+])C1 ZINC000414712644 386230451 /nfs/dbraw/zinc/23/04/51/386230451.db2.gz UXCMPICJZYUFFE-QWRGUYRKSA-N 1 3 216.394 1.941 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](C)O ZINC000339095912 386244819 /nfs/dbraw/zinc/24/48/19/386244819.db2.gz LXPSYKMCRJPCMG-HZSPNIEDSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)O ZINC000339095912 386244825 /nfs/dbraw/zinc/24/48/25/386244825.db2.gz LXPSYKMCRJPCMG-HZSPNIEDSA-N 1 3 242.407 1.857 20 0 BDADHO C[NH2+]CC1CCN(Cc2c[nH]nc2C)CC1 ZINC000347088479 386245358 /nfs/dbraw/zinc/24/53/58/386245358.db2.gz CTLQRIZQICTXLP-UHFFFAOYSA-N 1 3 222.336 1.150 20 0 BDADHO CN(CC[NH2+]C(C)(C)C)[C@@H]1CCN(C2CC2)C1 ZINC000414697758 386198270 /nfs/dbraw/zinc/19/82/70/386198270.db2.gz QGVFMAHBGAGZNO-CYBMUJFWSA-N 1 3 239.407 1.543 20 0 BDADHO [NH3+]CCCN1CCNC[C@H]1c1cccc(F)c1 ZINC000414729955 386281251 /nfs/dbraw/zinc/28/12/51/386281251.db2.gz FRWULKMLPACBQM-ZDUSSCGKSA-N 1 3 237.322 1.121 20 0 BDADHO C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900968 386290090 /nfs/dbraw/zinc/29/00/90/386290090.db2.gz FOUJEODIFJIARY-FDYHWXHSSA-N 1 3 236.359 1.143 20 0 BDADHO CC(C)[C@H]1CN(CC[NH2+]C(C)(C)C)CCN1C ZINC000414733288 386294989 /nfs/dbraw/zinc/29/49/89/386294989.db2.gz DPKUCWMZYRNURB-CYBMUJFWSA-N 1 3 241.423 1.647 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336667779 386295977 /nfs/dbraw/zinc/29/59/77/386295977.db2.gz ORZRJTRQHXHYJH-STQMWFEESA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336667779 386295981 /nfs/dbraw/zinc/29/59/81/386295981.db2.gz ORZRJTRQHXHYJH-STQMWFEESA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336667779 386295984 /nfs/dbraw/zinc/29/59/84/386295984.db2.gz ORZRJTRQHXHYJH-STQMWFEESA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336667779 386295991 /nfs/dbraw/zinc/29/59/91/386295991.db2.gz ORZRJTRQHXHYJH-STQMWFEESA-N 1 3 228.380 1.277 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCOCC23CCC3)CC[NH2+]1 ZINC000335260613 386318838 /nfs/dbraw/zinc/31/88/38/386318838.db2.gz ZKUXYCNXZXDZAQ-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)(C)CN(CCCO)C[C@H]1CC[NH2+]C1 ZINC000647884466 386263893 /nfs/dbraw/zinc/26/38/93/386263893.db2.gz SXDMRRJAYBQHJL-LBPRGKRZSA-N 1 3 228.380 1.326 20 0 BDADHO Cc1cnc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000335278666 386346299 /nfs/dbraw/zinc/34/62/99/386346299.db2.gz MGUJPUSZYSMIHK-NSHDSACASA-N 1 3 249.358 1.947 20 0 BDADHO CC[N@H+](CCCO)C[C@@H](N)CC(C)C ZINC000414748955 386364374 /nfs/dbraw/zinc/36/43/74/386364374.db2.gz VLWYFAUFNMCYFA-NSHDSACASA-N 1 3 202.342 1.064 20 0 BDADHO CC[N@@H+](CCCO)C[C@@H](N)CC(C)C ZINC000414748955 386364379 /nfs/dbraw/zinc/36/43/79/386364379.db2.gz VLWYFAUFNMCYFA-NSHDSACASA-N 1 3 202.342 1.064 20 0 BDADHO COC(C)(C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336775428 386384520 /nfs/dbraw/zinc/38/45/20/386384520.db2.gz YZUIXHAZRZOFEI-LLVKDONJSA-N 1 3 226.364 1.651 20 0 BDADHO C[C@@]1(C[NH2+]C[C@H]2CCCOC2)CCCNC1 ZINC000414902890 386326313 /nfs/dbraw/zinc/32/63/13/386326313.db2.gz HVJDSVNONMEFHV-CHWSQXEVSA-N 1 3 226.364 1.392 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336717893 386440487 /nfs/dbraw/zinc/44/04/87/386440487.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336717893 386440491 /nfs/dbraw/zinc/44/04/91/386440491.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCOC2)C1 ZINC000336717893 386440496 /nfs/dbraw/zinc/44/04/96/386440496.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCOC2)C1 ZINC000336717893 386440502 /nfs/dbraw/zinc/44/05/02/386440502.db2.gz WOIBNVKBOIJSGD-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO C[C@@H]1CC2(CN1Cc1ccno1)CC[NH2+]CC2 ZINC000335280018 386394382 /nfs/dbraw/zinc/39/43/82/386394382.db2.gz QMCJSWMWEUOHQG-LLVKDONJSA-N 1 3 235.331 1.639 20 0 BDADHO c1ccc2c(c1)nccc2NC[C@H]1C[NH2+]CCO1 ZINC000134273912 386406694 /nfs/dbraw/zinc/40/66/94/386406694.db2.gz PDCBDHYPQGPDKB-LLVKDONJSA-N 1 3 243.310 1.635 20 0 BDADHO Cc1ccc(CCCN2CC[C@H]([NH3+])[C@H](C)C2)cn1 ZINC000339411216 386413400 /nfs/dbraw/zinc/41/34/00/386413400.db2.gz VYFLHTYLEAVAAC-DOMZBBRYSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCCN2CC[C@](C)(C[NH3+])C2)cn1 ZINC000339408429 386414021 /nfs/dbraw/zinc/41/40/21/386414021.db2.gz BADIXGWVQKFGNW-OAHLLOKOSA-N 1 3 247.386 1.993 20 0 BDADHO Cc1ccc(CCC[N@@H+]2CC[C@](C)(CN)C2)cn1 ZINC000339408429 386414025 /nfs/dbraw/zinc/41/40/25/386414025.db2.gz BADIXGWVQKFGNW-OAHLLOKOSA-N 1 3 247.386 1.993 20 0 BDADHO Cc1ccc(CCC[N@H+]2CC[C@](C)(CN)C2)cn1 ZINC000339408429 386414031 /nfs/dbraw/zinc/41/40/31/386414031.db2.gz BADIXGWVQKFGNW-OAHLLOKOSA-N 1 3 247.386 1.993 20 0 BDADHO Cc1ccc(CCCN2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339408681 386415292 /nfs/dbraw/zinc/41/52/92/386415292.db2.gz URZQKDOIPLBCKI-UKRRQHHQSA-N 1 3 247.386 1.992 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCc1ccccn1 ZINC000093462308 386416741 /nfs/dbraw/zinc/41/67/41/386416741.db2.gz QKVNAHRSROSOSH-TZMCWYRMSA-N 1 3 233.359 1.744 20 0 BDADHO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](C)N ZINC000442663572 386420344 /nfs/dbraw/zinc/42/03/44/386420344.db2.gz HVCRIZULYNQSAJ-JQWIXIFHSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](C)N ZINC000442663572 386420355 /nfs/dbraw/zinc/42/03/55/386420355.db2.gz HVCRIZULYNQSAJ-JQWIXIFHSA-N 1 3 222.336 1.003 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000334449402 386433778 /nfs/dbraw/zinc/43/37/78/386433778.db2.gz QACLARCQQBLORI-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO CCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000335366005 386477665 /nfs/dbraw/zinc/47/76/65/386477665.db2.gz NNSYMLQBZSJWHL-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000335366005 386477673 /nfs/dbraw/zinc/47/76/73/386477673.db2.gz NNSYMLQBZSJWHL-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000415011126 386485076 /nfs/dbraw/zinc/48/50/76/386485076.db2.gz QEIDUBHSJFAQGS-RYUDHWBXSA-N 1 3 244.342 1.698 20 0 BDADHO c1cncc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415011240 386487147 /nfs/dbraw/zinc/48/71/47/386487147.db2.gz QQQUHEKYMWVLGO-UONOGXRCSA-N 1 3 231.343 1.559 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)NCCCc1ccc2c(c1)CCO2 ZINC000415015299 386501098 /nfs/dbraw/zinc/50/10/98/386501098.db2.gz MREPLYOMXRILAG-VXGBXAGGSA-N 1 3 248.370 1.879 20 0 BDADHO COc1cc(C[NH2+][C@H](C)[C@H](C)N)ccc1C ZINC000415017700 386503947 /nfs/dbraw/zinc/50/39/47/386503947.db2.gz QKDDVASKIGNERX-WDEREUQCSA-N 1 3 222.332 1.829 20 0 BDADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@](C)(O)CNC ZINC000519609624 386505134 /nfs/dbraw/zinc/50/51/34/386505134.db2.gz WSQMMJLPVIXTRI-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H](C[NH3+])C(C)(C)C ZINC000415052090 386507885 /nfs/dbraw/zinc/50/78/85/386507885.db2.gz HHAZLMRYFZNNSA-SNVBAGLBSA-N 1 3 244.379 1.539 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H](C[NH3+])C(C)(C)C ZINC000415052089 386508137 /nfs/dbraw/zinc/50/81/37/386508137.db2.gz HHAZLMRYFZNNSA-JTQLQIEISA-N 1 3 244.379 1.539 20 0 BDADHO CC[C@@H](C)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784146 386508350 /nfs/dbraw/zinc/50/83/50/386508350.db2.gz QVWBIRQOFYIJLS-CHWSQXEVSA-N 1 3 240.391 1.720 20 0 BDADHO CC[C@@H](C)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784146 386508357 /nfs/dbraw/zinc/50/83/57/386508357.db2.gz QVWBIRQOFYIJLS-CHWSQXEVSA-N 1 3 240.391 1.720 20 0 BDADHO CCC1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415051002 386508785 /nfs/dbraw/zinc/50/87/85/386508785.db2.gz ZCABRBQCWKIMGO-RUXDESIVSA-N 1 3 240.391 1.923 20 0 BDADHO COc1cc(C)nc(CN[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415030718 386518296 /nfs/dbraw/zinc/51/82/96/386518296.db2.gz FYSGOMBXFJGSOP-NWDGAFQWSA-N 1 3 249.358 1.616 20 0 BDADHO C[C@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC1CCOCC1 ZINC000415032088 386519694 /nfs/dbraw/zinc/51/96/94/386519694.db2.gz HIWVUFDVNWLIKI-SCUASFONSA-N 1 3 238.375 1.247 20 0 BDADHO CCC[C@@H](C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415033299 386521689 /nfs/dbraw/zinc/52/16/89/386521689.db2.gz GWHGVGYBUAHUDQ-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415036853 386524099 /nfs/dbraw/zinc/52/40/99/386524099.db2.gz MILODPWHXJYXGV-ZZVYKPCYSA-N 1 3 216.328 1.598 20 0 BDADHO CC[C@H](NC[C@H]([NH3+])CC(C)C)[C@@H]1CCCO1 ZINC000415076904 386577952 /nfs/dbraw/zinc/57/79/52/386577952.db2.gz GYFIPGPTJLYYMJ-AGIUHOORSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414922115 386590170 /nfs/dbraw/zinc/59/01/70/386590170.db2.gz GKFSYMGBLJGENX-JHJVBQTASA-N 1 3 226.364 1.532 20 0 BDADHO CCN1CCCC[C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000415083289 386594726 /nfs/dbraw/zinc/59/47/26/386594726.db2.gz PQMJGMSTQHUKGS-UONOGXRCSA-N 1 3 239.407 1.450 20 0 BDADHO CC[C@@H](C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415046717 386533796 /nfs/dbraw/zinc/53/37/96/386533796.db2.gz VDMKCLACQHLWLC-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000414790886 386535666 /nfs/dbraw/zinc/53/56/66/386535666.db2.gz AOYYUEJLCXEXPC-UONOGXRCSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1CSCCc2ccccc21 ZINC000335467807 386541000 /nfs/dbraw/zinc/54/10/00/386541000.db2.gz FIRJNQHPFAOAFF-MFKMUULPSA-N 1 3 236.384 1.954 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332045851 386546409 /nfs/dbraw/zinc/54/64/09/386546409.db2.gz VDVCKBRDRMILMN-GMTAPVOTSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@@H](CO)[N@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000415103771 386625079 /nfs/dbraw/zinc/62/50/79/386625079.db2.gz JYDJQHKJPHNOKJ-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](CO)[N@@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000415103771 386625084 /nfs/dbraw/zinc/62/50/84/386625084.db2.gz JYDJQHKJPHNOKJ-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H]([NH2+][C@H]1CC2CCC1CC2)C1CNC1 ZINC000335501373 386629526 /nfs/dbraw/zinc/62/95/26/386629526.db2.gz SDFUNDPTNMOICP-YUVKLTJASA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H](COC)NCC([NH3+])(CC)CC ZINC000414812746 386642448 /nfs/dbraw/zinc/64/24/48/386642448.db2.gz RQSPWIFQHYCMNA-SNVBAGLBSA-N 1 3 202.342 1.519 20 0 BDADHO CC[C@H](COC)[NH2+]CC(N)(CC)CC ZINC000414812746 386642454 /nfs/dbraw/zinc/64/24/54/386642454.db2.gz RQSPWIFQHYCMNA-SNVBAGLBSA-N 1 3 202.342 1.519 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+]C1CCN(C)CC1 ZINC000336782613 386648818 /nfs/dbraw/zinc/64/88/18/386648818.db2.gz YFOIEGBVEGVNMS-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H](C)Cn1cccn1 ZINC000414815589 386650157 /nfs/dbraw/zinc/65/01/57/386650157.db2.gz XROHMQPZOGQSTF-NSHDSACASA-N 1 3 224.352 1.379 20 0 BDADHO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000414803363 386600450 /nfs/dbraw/zinc/60/04/50/386600450.db2.gz WPFDEPLHROQJER-QWHCGFSZSA-N 1 3 248.374 1.365 20 0 BDADHO C[C@@]1(C[NH2+]C2CCC(O)CC2)CCCNC1 ZINC000335488154 386605594 /nfs/dbraw/zinc/60/55/94/386605594.db2.gz NHFVJHUKJUVADS-WXRRBKDZSA-N 1 3 226.364 1.269 20 0 BDADHO CCCC[C@H](C[NH3+])NCCC(C)(C)C(=O)OC ZINC000414819245 386671670 /nfs/dbraw/zinc/67/16/70/386671670.db2.gz YESSYCIPWVTFTB-LLVKDONJSA-N 1 3 244.379 1.683 20 0 BDADHO CC(C)COCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000367250605 386684948 /nfs/dbraw/zinc/68/49/48/386684948.db2.gz KISFNWADPRRBTO-BETUJISGSA-N 1 3 226.364 1.152 20 0 BDADHO CC(C)COCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000367250605 386684956 /nfs/dbraw/zinc/68/49/56/386684956.db2.gz KISFNWADPRRBTO-BETUJISGSA-N 1 3 226.364 1.152 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414926985 386685601 /nfs/dbraw/zinc/68/56/01/386685601.db2.gz KODUQBAEAAICHC-IPYPFGDCSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414926985 386685608 /nfs/dbraw/zinc/68/56/08/386685608.db2.gz KODUQBAEAAICHC-IPYPFGDCSA-N 1 3 247.386 1.759 20 0 BDADHO COC[C@H](C)[N@H+](C)CCCN1CCCC1 ZINC000337268901 386686266 /nfs/dbraw/zinc/68/62/66/386686266.db2.gz LCWCJUVSSYPXSF-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO COC[C@H](C)[N@@H+](C)CCCN1CCCC1 ZINC000337268901 386686273 /nfs/dbraw/zinc/68/62/73/386686273.db2.gz LCWCJUVSSYPXSF-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CC(C)C[C@H]([NH3+])CNC[C@H](N)c1ccccc1 ZINC000414828069 386699199 /nfs/dbraw/zinc/69/91/99/386699199.db2.gz IINHLBDWSCSIHN-KBPBESRZSA-N 1 3 235.375 1.649 20 0 BDADHO CC[NH2+]CCNC1CCC(C(=O)OCC)CC1 ZINC000414838796 386739697 /nfs/dbraw/zinc/73/96/97/386739697.db2.gz ZLDIMLMIWLHPPB-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H](NCC[NH2+]C)C[C@@H]1C ZINC000414832889 386721703 /nfs/dbraw/zinc/72/17/03/386721703.db2.gz RNRXQDSUONHDLU-QJPTWQEYSA-N 1 3 242.363 1.163 20 0 BDADHO CCCCCN(CCO)C[C@]1(C)CC[NH2+]C1 ZINC000340714190 386761550 /nfs/dbraw/zinc/76/15/50/386761550.db2.gz RQRDWNRWEKIXKV-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H](C[NH3+])CC(C)C ZINC000414838908 386743247 /nfs/dbraw/zinc/74/32/47/386743247.db2.gz KXQZDYFTBBTSFG-NSHDSACASA-N 1 3 244.379 1.539 20 0 BDADHO CC[C@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417831771 386792697 /nfs/dbraw/zinc/79/26/97/386792697.db2.gz KVQNRECUZOGDIA-STQMWFEESA-N 1 3 249.358 1.320 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000396601073 386786841 /nfs/dbraw/zinc/78/68/41/386786841.db2.gz AURDGLJZAUVHLZ-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO CCc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000647785613 386788396 /nfs/dbraw/zinc/78/83/96/386788396.db2.gz CFSVOVRYCWPIJI-GMXVVIOVSA-N 1 3 249.358 1.715 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+]C2(C)CCNCC2)CCO1 ZINC000414936118 386821034 /nfs/dbraw/zinc/82/10/34/386821034.db2.gz GOPQDPZPZPODIV-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCOC1(C)C)CN1CCCC1 ZINC000328275053 386841508 /nfs/dbraw/zinc/84/15/08/386841508.db2.gz XMTGTWIUZOZKDS-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](CN[C@@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275053 386841509 /nfs/dbraw/zinc/84/15/09/386841509.db2.gz XMTGTWIUZOZKDS-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414937247 386844812 /nfs/dbraw/zinc/84/48/12/386844812.db2.gz VIWSPWQTTYLDIY-CRWXNKLISA-N 1 3 240.391 1.778 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331598208 386874150 /nfs/dbraw/zinc/87/41/50/386874150.db2.gz NXFMYDPCONJKEE-AAVRWANBSA-N 1 3 232.327 1.634 20 0 BDADHO [NH3+]CCCN1CCC[C@]2(CCCOC2)C1 ZINC000334879403 386940666 /nfs/dbraw/zinc/94/06/66/386940666.db2.gz BMFPZHILGMEKGM-LBPRGKRZSA-N 1 3 212.337 1.228 20 0 BDADHO NCCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334879403 386940669 /nfs/dbraw/zinc/94/06/69/386940669.db2.gz BMFPZHILGMEKGM-LBPRGKRZSA-N 1 3 212.337 1.228 20 0 BDADHO NCCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334879403 386940676 /nfs/dbraw/zinc/94/06/76/386940676.db2.gz BMFPZHILGMEKGM-LBPRGKRZSA-N 1 3 212.337 1.228 20 0 BDADHO [NH3+]CCCN1CCC[C@@]2(CCCOC2)C1 ZINC000334879401 386941373 /nfs/dbraw/zinc/94/13/73/386941373.db2.gz BMFPZHILGMEKGM-GFCCVEGCSA-N 1 3 212.337 1.228 20 0 BDADHO NCCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334879401 386941379 /nfs/dbraw/zinc/94/13/79/386941379.db2.gz BMFPZHILGMEKGM-GFCCVEGCSA-N 1 3 212.337 1.228 20 0 BDADHO NCCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334879401 386941383 /nfs/dbraw/zinc/94/13/83/386941383.db2.gz BMFPZHILGMEKGM-GFCCVEGCSA-N 1 3 212.337 1.228 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000398703512 386956454 /nfs/dbraw/zinc/95/64/54/386956454.db2.gz XSRJZZRGTQWPGN-CYDGBPFRSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@H]1CCCC[N@H+](CCN2CCNCC2)C1 ZINC000334965855 387046623 /nfs/dbraw/zinc/04/66/23/387046623.db2.gz ADEPKUJDKYIKEJ-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@H]1CCCC[N@@H+](CCN2CCNCC2)C1 ZINC000334965855 387046625 /nfs/dbraw/zinc/04/66/25/387046625.db2.gz ADEPKUJDKYIKEJ-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO CC[C@H](C)[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000334981537 387067438 /nfs/dbraw/zinc/06/74/38/387067438.db2.gz RMGLNTYCFYALBV-RYUDHWBXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H](C)[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000334981537 387067443 /nfs/dbraw/zinc/06/74/43/387067443.db2.gz RMGLNTYCFYALBV-RYUDHWBXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N[C@H]1CCc2nc[nH]c2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227061 387023420 /nfs/dbraw/zinc/02/34/20/387023420.db2.gz BDAJQBUNTZFQHP-SRVKXCTJSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H](N[C@H]1CCc2[nH]cnc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227061 387023422 /nfs/dbraw/zinc/02/34/22/387023422.db2.gz BDAJQBUNTZFQHP-SRVKXCTJSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@@H]1CCCCN1 ZINC000333227061 387023427 /nfs/dbraw/zinc/02/34/27/387023427.db2.gz BDAJQBUNTZFQHP-SRVKXCTJSA-N 1 3 248.374 1.387 20 0 BDADHO c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334981617 387068683 /nfs/dbraw/zinc/06/86/83/387068683.db2.gz UQYYYRXMIHIXJH-RYUDHWBXSA-N 1 3 235.331 1.496 20 0 BDADHO C[NH+](C)C[C@]1(O)CCCN(CCCCF)C1 ZINC000639766904 387071482 /nfs/dbraw/zinc/07/14/82/387071482.db2.gz PQHRAWOUPDCKEM-GFCCVEGCSA-N 1 3 232.343 1.125 20 0 BDADHO CC[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638516 387130560 /nfs/dbraw/zinc/13/05/60/387130560.db2.gz XZYWYFMBFAXMOC-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CCc1ccc(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359326166 387084445 /nfs/dbraw/zinc/08/44/45/387084445.db2.gz WZPRHYYPFSEPKD-HOTGVXAUSA-N 1 3 244.382 1.943 20 0 BDADHO Cc1cnn(CCN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000334996175 387088732 /nfs/dbraw/zinc/08/87/32/387088732.db2.gz LAGIJXKSIZUQFZ-UHFFFAOYSA-N 1 3 248.374 1.267 20 0 BDADHO CN1CCCC(C)(C)[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000335008953 387102164 /nfs/dbraw/zinc/10/21/64/387102164.db2.gz FKCJYXLMGBBTFM-NWDGAFQWSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](NC1CC(C)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000335007524 387102990 /nfs/dbraw/zinc/10/29/90/387102990.db2.gz PUYGNHBEJQBGDV-IZUQBHJASA-N 1 3 200.301 1.465 20 0 BDADHO C[C@H](NC1CC(C)(F)C1)[C@H]1CC[NH2+]C1 ZINC000335007528 387103540 /nfs/dbraw/zinc/10/35/40/387103540.db2.gz PUYGNHBEJQBGDV-SAAXCQNUSA-N 1 3 200.301 1.465 20 0 BDADHO C([NH2+]C1CCNCC1)[C@@H]1CC12CCSCC2 ZINC000335026475 387118038 /nfs/dbraw/zinc/11/80/38/387118038.db2.gz BLQWQBZSVQTEJF-NSHDSACASA-N 1 3 240.416 1.861 20 0 BDADHO CN1CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000335029061 387121953 /nfs/dbraw/zinc/12/19/53/387121953.db2.gz LOUVCIXUTKASBM-QWHCGFSZSA-N 1 3 225.380 1.330 20 0 BDADHO COc1ccccc1C[C@@H](C)NCC1C[NH2+]C1 ZINC000423306217 387142369 /nfs/dbraw/zinc/14/23/69/387142369.db2.gz SPAJSHGHBSUFEI-LLVKDONJSA-N 1 3 234.343 1.435 20 0 BDADHO COc1ccccc1C[C@@H](C)[NH2+]CC1CNC1 ZINC000423306217 387142371 /nfs/dbraw/zinc/14/23/71/387142371.db2.gz SPAJSHGHBSUFEI-LLVKDONJSA-N 1 3 234.343 1.435 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000423308726 387143595 /nfs/dbraw/zinc/14/35/95/387143595.db2.gz YETWKPJZENARCB-QWHCGFSZSA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)CO[C@@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C ZINC000423308726 387143599 /nfs/dbraw/zinc/14/35/99/387143599.db2.gz YETWKPJZENARCB-QWHCGFSZSA-N 1 3 240.391 1.635 20 0 BDADHO CCC[NH2+]CCN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423312176 387148165 /nfs/dbraw/zinc/14/81/65/387148165.db2.gz RKDYXFSBQPJKTA-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO COCC1CCC([NH2+]C[C@H](C)CN)CC1 ZINC000423314354 387155196 /nfs/dbraw/zinc/15/51/96/387155196.db2.gz YHGYVGGCQFXFBS-VOMCLLRMSA-N 1 3 214.353 1.376 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423323581 387168474 /nfs/dbraw/zinc/16/84/74/387168474.db2.gz JUEMYVUTQZZUES-BBBLOLIVSA-N 1 3 200.326 1.127 20 0 BDADHO C(N[C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000423329906 387173242 /nfs/dbraw/zinc/17/32/42/387173242.db2.gz FOUJEODIFJIARY-FVCCEPFGSA-N 1 3 236.359 1.143 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])C2CC2)C12CCC2 ZINC000423333080 387178961 /nfs/dbraw/zinc/17/89/61/387178961.db2.gz VJMKPCFTHSFYCA-JHJVBQTASA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](CCc1ccccc1)[NH2+]CC1CNC1 ZINC000423305312 387138974 /nfs/dbraw/zinc/13/89/74/387138974.db2.gz QNTUMLUZXYSAJL-GFCCVEGCSA-N 1 3 218.344 1.817 20 0 BDADHO C[C@H](CCc1ccccc1)NCC1C[NH2+]C1 ZINC000423305312 387138976 /nfs/dbraw/zinc/13/89/76/387138976.db2.gz QNTUMLUZXYSAJL-GFCCVEGCSA-N 1 3 218.344 1.817 20 0 BDADHO CC[C@H](N[C@@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423357341 387207984 /nfs/dbraw/zinc/20/79/84/387207984.db2.gz AAHITLSFRWYXAJ-UWVGGRQHSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423361119 387214087 /nfs/dbraw/zinc/21/40/87/387214087.db2.gz LXWDRBGYYOLSAM-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@H](C)[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423368578 387220258 /nfs/dbraw/zinc/22/02/58/387220258.db2.gz SBZATRJQROHLRZ-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO COCC1=CC[N@H+](CC[C@@H]2CCCN2C)CC1 ZINC000187691128 387222755 /nfs/dbraw/zinc/22/27/55/387222755.db2.gz HVRUNHKWTNILSD-AWEZNQCLSA-N 1 3 238.375 1.749 20 0 BDADHO COCC1=CC[N@@H+](CC[C@@H]2CCCN2C)CC1 ZINC000187691128 387222761 /nfs/dbraw/zinc/22/27/61/387222761.db2.gz HVRUNHKWTNILSD-AWEZNQCLSA-N 1 3 238.375 1.749 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1(C)C ZINC000423370966 387223606 /nfs/dbraw/zinc/22/36/06/387223606.db2.gz GEDGWHPSLMONSC-RXGFPQBGSA-N 1 3 240.391 1.905 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423369408 387224953 /nfs/dbraw/zinc/22/49/53/387224953.db2.gz BXZRWJJVZZYZOD-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](C)CCCOC ZINC000423372982 387226024 /nfs/dbraw/zinc/22/60/24/387226024.db2.gz GMWLVPKJRJDYBB-GHMZBOCLSA-N 1 3 202.342 1.389 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000336410453 387238355 /nfs/dbraw/zinc/23/83/55/387238355.db2.gz DEUODDCTJJCSQY-GXFFZTMASA-N 1 3 244.342 1.732 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C(C)C ZINC000423403577 387241497 /nfs/dbraw/zinc/24/14/97/387241497.db2.gz YOZMGIPTIBMQMM-WOPDTQHZSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000423403577 387241502 /nfs/dbraw/zinc/24/15/02/387241502.db2.gz YOZMGIPTIBMQMM-WOPDTQHZSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@H]([NH2+]C[C@]1(COC)CCCN1)C(C)C ZINC000423410927 387246041 /nfs/dbraw/zinc/24/60/41/387246041.db2.gz ASANTDRGZBENFR-STQMWFEESA-N 1 3 244.379 1.016 20 0 BDADHO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)[C@H]1C[C@@H]1C ZINC000423415827 387248764 /nfs/dbraw/zinc/24/87/64/387248764.db2.gz PMPUPTOYFXXADI-XUXIUFHCSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccco1 ZINC000423346423 387194452 /nfs/dbraw/zinc/19/44/52/387194452.db2.gz PDPDLNCLLDHXNQ-SNVBAGLBSA-N 1 3 206.289 1.850 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CNCCC2(F)F)CC[N@@H+]1C ZINC000423467225 387315913 /nfs/dbraw/zinc/31/59/13/387315913.db2.gz DIGOQQMMMBLXTR-VWYCJHECSA-N 1 3 247.333 1.056 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CNCCC2(F)F)CC[N@H+]1C ZINC000423467225 387315917 /nfs/dbraw/zinc/31/59/17/387315917.db2.gz DIGOQQMMMBLXTR-VWYCJHECSA-N 1 3 247.333 1.056 20 0 BDADHO C1CC2(CCCC2)[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428976 387254355 /nfs/dbraw/zinc/25/43/55/387254355.db2.gz JTDRCRZYRJQKPP-KXNHARMFSA-N 1 3 206.333 1.517 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C12CCC2 ZINC000423379482 387262628 /nfs/dbraw/zinc/26/26/28/387262628.db2.gz XSXGOUCRDMBCGN-QNWHQSFQSA-N 1 3 238.375 1.804 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C12CCC2 ZINC000423379482 387262632 /nfs/dbraw/zinc/26/26/32/387262632.db2.gz XSXGOUCRDMBCGN-QNWHQSFQSA-N 1 3 238.375 1.804 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC000423382192 387265689 /nfs/dbraw/zinc/26/56/89/387265689.db2.gz OCLWRKZSQTVNCN-RYSNWHEDSA-N 1 3 240.391 1.922 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423385211 387269055 /nfs/dbraw/zinc/26/90/55/387269055.db2.gz QQBNQVDZHPPKJD-IJLUTSLNSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000423387772 387270341 /nfs/dbraw/zinc/27/03/41/387270341.db2.gz IFLAIDANBKGFGH-CABZTGNLSA-N 1 3 220.316 1.706 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423386497 387271448 /nfs/dbraw/zinc/27/14/48/387271448.db2.gz SAGLCSGRKJQSJA-BNOWGMLFSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000423386497 387271453 /nfs/dbraw/zinc/27/14/53/387271453.db2.gz SAGLCSGRKJQSJA-BNOWGMLFSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](N[C@@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431981 387283545 /nfs/dbraw/zinc/28/35/45/387283545.db2.gz MDJIQJRULOKEFP-NWDGAFQWSA-N 1 3 238.379 1.978 20 0 BDADHO C1CC([C@H]2CC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423469137 387318145 /nfs/dbraw/zinc/31/81/45/387318145.db2.gz YNDCKTUWZDAIST-LBELIVKGSA-N 1 3 206.333 1.373 20 0 BDADHO C[C@@H]1CC[C@H](C)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423440957 387289657 /nfs/dbraw/zinc/28/96/57/387289657.db2.gz XTSZMUIPCUWLPO-XARVFOJUSA-N 1 3 208.349 1.619 20 0 BDADHO CC[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446689 387295549 /nfs/dbraw/zinc/29/55/49/387295549.db2.gz YVXBOWIOWQNCME-BNDIWNMDSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000423448934 387297160 /nfs/dbraw/zinc/29/71/60/387297160.db2.gz QVXJDTOPYYFKRQ-HGCLJGPKSA-N 1 3 224.348 1.269 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CN1C1CC1 ZINC000643501584 387356241 /nfs/dbraw/zinc/35/62/41/387356241.db2.gz LLYREGGCYPXKEL-UPJWGTAASA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H]1C[C@H](NCCC[NH2+]C2CC2)CN1C1CC1 ZINC000423530344 387358060 /nfs/dbraw/zinc/35/80/60/387358060.db2.gz RCRZALNDGWIEDD-AAEUAGOBSA-N 1 3 237.391 1.343 20 0 BDADHO CCn1ccnc1[C@@H](C)NCCC1=CC[NH2+]CC1 ZINC000423537701 387362985 /nfs/dbraw/zinc/36/29/85/387362985.db2.gz KQSNHODGUFTTJU-GFCCVEGCSA-N 1 3 248.374 1.863 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1Cc2ccccc21 ZINC000643453509 387370624 /nfs/dbraw/zinc/37/06/24/387370624.db2.gz IWYBRKNWPRUGLL-YUTCNCBUSA-N 1 3 216.328 1.796 20 0 BDADHO COc1cccc([C@H](C)[NH2+]C[C@H](C)N)c1 ZINC000515404013 387377561 /nfs/dbraw/zinc/37/75/61/387377561.db2.gz BAHJPRZVEJJVCS-UWVGGRQHSA-N 1 3 208.305 1.693 20 0 BDADHO Cc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc(C)n1 ZINC000423561317 387377976 /nfs/dbraw/zinc/37/79/76/387377976.db2.gz VSFZWIWJQAWKMK-ZIAGYGMSSA-N 1 3 233.359 1.915 20 0 BDADHO CC[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423572639 387381292 /nfs/dbraw/zinc/38/12/92/387381292.db2.gz YMQRESVQEGRMPD-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCN(CC2CC2)C1 ZINC000643462873 387320721 /nfs/dbraw/zinc/32/07/21/387320721.db2.gz PXONHHBTUQVDBE-MRVWCRGKSA-N 1 3 237.391 1.058 20 0 BDADHO C[C@@H](N[C@@H]1CNCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474860 387322800 /nfs/dbraw/zinc/32/28/00/387322800.db2.gz HTRDWWIACRSSGL-GMTAPVOTSA-N 1 3 247.333 1.104 20 0 BDADHO C[C@H](CC(C)(C)C)NC[C@H]1C[NH2+]CCCO1 ZINC000423495740 387338349 /nfs/dbraw/zinc/33/83/49/387338349.db2.gz VEGBYMBAEREAIX-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C[C@@H]2C)C[C@@]1(C)CN ZINC000423516344 387350182 /nfs/dbraw/zinc/35/01/82/387350182.db2.gz WPEGXRKVEWMARA-REWJHTLYSA-N 1 3 239.407 1.243 20 0 BDADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C[C@@H]2C)C[C@@]1(C)CN ZINC000423516344 387350184 /nfs/dbraw/zinc/35/01/84/387350184.db2.gz WPEGXRKVEWMARA-REWJHTLYSA-N 1 3 239.407 1.243 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000643466296 387386356 /nfs/dbraw/zinc/38/63/56/387386356.db2.gz XBCYPFRVOFWJAS-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCC1(CO)CCCCC1 ZINC000643466296 387386358 /nfs/dbraw/zinc/38/63/58/387386358.db2.gz XBCYPFRVOFWJAS-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCC1(CO)CCCCC1 ZINC000643466260 387387192 /nfs/dbraw/zinc/38/71/92/387387192.db2.gz NNSJSLLVFCYVKY-NWDGAFQWSA-N 1 3 226.364 1.399 20 0 BDADHO Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)cn1 ZINC000515498318 387391129 /nfs/dbraw/zinc/39/11/29/387391129.db2.gz GQXQLFXHKMAOQS-CHWSQXEVSA-N 1 3 236.363 1.212 20 0 BDADHO Cn1cc(CCCN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000515498318 387391133 /nfs/dbraw/zinc/39/11/33/387391133.db2.gz GQXQLFXHKMAOQS-CHWSQXEVSA-N 1 3 236.363 1.212 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423676284 387394775 /nfs/dbraw/zinc/39/47/75/387394775.db2.gz IQJFJWCKYYGPSX-NHCYSSNCSA-N 1 3 241.379 1.136 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000515637873 387403934 /nfs/dbraw/zinc/40/39/34/387403934.db2.gz ZTFHFYGVPNQRPI-STQMWFEESA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@H](O)CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000515637873 387403939 /nfs/dbraw/zinc/40/39/39/387403939.db2.gz ZTFHFYGVPNQRPI-STQMWFEESA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@H](O)CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000515637873 387403942 /nfs/dbraw/zinc/40/39/42/387403942.db2.gz ZTFHFYGVPNQRPI-STQMWFEESA-N 1 3 228.380 1.467 20 0 BDADHO CCN1CCN(CCC[NH+](CC)CC)[C@@H](C)C1 ZINC000352658180 387422458 /nfs/dbraw/zinc/42/24/58/387422458.db2.gz DIIMKGXFZACRTQ-AWEZNQCLSA-N 1 3 241.423 1.744 20 0 BDADHO COC(C)(C)CNC1CC[NH+](C(C)C)CC1 ZINC000122296076 387503660 /nfs/dbraw/zinc/50/36/60/387503660.db2.gz YJNONRVJTZNEDJ-UHFFFAOYSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)CCOCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122322616 387514707 /nfs/dbraw/zinc/51/47/07/387514707.db2.gz XEZYKXFAZSAPEV-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)N1CCN(CC[NH+]2CCCCC2)CC1 ZINC000122379149 387517286 /nfs/dbraw/zinc/51/72/86/387517286.db2.gz HLTPPDLHDBZYKW-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]C[C@H](C)CN(C)C ZINC000425948682 387533953 /nfs/dbraw/zinc/53/39/53/387533953.db2.gz DOYIYNGTFSNHDL-QWHCGFSZSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCOC1 ZINC000310228286 387535381 /nfs/dbraw/zinc/53/53/81/387535381.db2.gz OKOARCCEFWFVJW-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH+](C)C1CCN(CCNCC2(F)CC2)CC1 ZINC000527232477 387541105 /nfs/dbraw/zinc/54/11/05/387541105.db2.gz GMXLNXXNNPUPDQ-UHFFFAOYSA-N 1 3 243.370 1.104 20 0 BDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)CC[NH3+] ZINC000424048882 387469781 /nfs/dbraw/zinc/46/97/81/387469781.db2.gz SSTGJYACYLJPBJ-GHMZBOCLSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H](N[C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643471023 387477537 /nfs/dbraw/zinc/47/75/37/387477537.db2.gz LXYUMJQNINQUKO-MQYQWHSLSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470990 387477939 /nfs/dbraw/zinc/47/79/39/387477939.db2.gz FNGYGIOXNILQJO-FQUUOJAGSA-N 1 3 240.391 1.515 20 0 BDADHO CO[C@@H]1CCC[C@@H](NCC[NH2+]C2CC2)C1 ZINC000643507650 387479185 /nfs/dbraw/zinc/47/91/85/387479185.db2.gz LOKOKGHYACVENW-VXGBXAGGSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](NC[C@@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698667 387615086 /nfs/dbraw/zinc/61/50/86/387615086.db2.gz AKHLNVBIHSGBBF-ZWNOBZJWSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)C1CNC1 ZINC000422698667 387615092 /nfs/dbraw/zinc/61/50/92/387615092.db2.gz AKHLNVBIHSGBBF-ZWNOBZJWSA-N 1 3 226.364 1.125 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422700558 387615845 /nfs/dbraw/zinc/61/58/45/387615845.db2.gz ACFSPLNNBJDNBS-JFGNBEQYSA-N 1 3 216.369 1.499 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422708544 387622258 /nfs/dbraw/zinc/62/22/58/387622258.db2.gz JBRPMMDMTHMPFX-ZIAGYGMSSA-N 1 3 241.423 1.968 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000527532824 387622585 /nfs/dbraw/zinc/62/25/85/387622585.db2.gz OZCWZJTUMCEOAS-UTUOFQBUSA-N 1 3 224.348 1.286 20 0 BDADHO CCCC[NH+]1CCC(NC(=O)[C@H](N)CC)CC1 ZINC000037005050 387557697 /nfs/dbraw/zinc/55/76/97/387557697.db2.gz DODGSQOBGWZGED-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](NCCCC[NH3+])c1nc2ccccc2n1C ZINC000037715009 387565965 /nfs/dbraw/zinc/56/59/65/387565965.db2.gz GQNYFYUUZNULON-LLVKDONJSA-N 1 3 246.358 1.963 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000422717540 387631122 /nfs/dbraw/zinc/63/11/22/387631122.db2.gz WARYSERRGBZQTH-ZDEQEGDKSA-N 1 3 228.380 1.501 20 0 BDADHO CCCCOCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422726193 387636869 /nfs/dbraw/zinc/63/68/69/387636869.db2.gz DJWADCDJRKRCMO-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CCCCOCCC[NH2+][C@H](C)C1CNC1 ZINC000422732145 387640202 /nfs/dbraw/zinc/64/02/02/387640202.db2.gz PBQUMOJTWOYWTA-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CCCCOCCCN[C@H](C)C1C[NH2+]C1 ZINC000422732145 387640207 /nfs/dbraw/zinc/64/02/07/387640207.db2.gz PBQUMOJTWOYWTA-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(CO)c1 ZINC000422736565 387642663 /nfs/dbraw/zinc/64/26/63/387642663.db2.gz GOFWVVQGWZIDGH-QWRGUYRKSA-N 1 3 222.332 1.394 20 0 BDADHO C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000422737406 387645543 /nfs/dbraw/zinc/64/55/43/387645543.db2.gz IAOIYJJKTMDZLR-NQBHXWOUSA-N 1 3 225.380 1.199 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCCO1 ZINC000422741930 387647680 /nfs/dbraw/zinc/64/76/80/387647680.db2.gz FQVQUWJJORXZPC-UTUOFQBUSA-N 1 3 212.337 1.415 20 0 BDADHO COc1ccc(CCC[NH2+][C@H](C)C2CNC2)cc1 ZINC000422744932 387648100 /nfs/dbraw/zinc/64/81/00/387648100.db2.gz WUTUIDSHXYSTNT-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO COc1ccc(CCCN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422744932 387648104 /nfs/dbraw/zinc/64/81/04/387648104.db2.gz WUTUIDSHXYSTNT-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000422740590 387648445 /nfs/dbraw/zinc/64/84/45/387648445.db2.gz CBNMVLLNFLRMAR-CFVMTHIKSA-N 1 3 248.370 1.571 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccccc1 ZINC000422740590 387648449 /nfs/dbraw/zinc/64/84/49/387648449.db2.gz CBNMVLLNFLRMAR-CFVMTHIKSA-N 1 3 248.370 1.571 20 0 BDADHO CCCCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125312161 387652227 /nfs/dbraw/zinc/65/22/27/387652227.db2.gz SZDAQJWGADSQOH-MJBXVCDLSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccccc1 ZINC000422748162 387653210 /nfs/dbraw/zinc/65/32/10/387653210.db2.gz SHCUHOUMYXMPQV-IACUBPJLSA-N 1 3 234.343 1.529 20 0 BDADHO C[C@@H](NC1CC(C)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643491411 387653908 /nfs/dbraw/zinc/65/39/08/387653908.db2.gz OMNDIYGENUCCCR-QYNFOATHSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCCNC1 ZINC000643491411 387653913 /nfs/dbraw/zinc/65/39/13/387653913.db2.gz OMNDIYGENUCCCR-QYNFOATHSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H](NC1CC(C)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000643491410 387654121 /nfs/dbraw/zinc/65/41/21/387654121.db2.gz OMNDIYGENUCCCR-QKEWWQLBSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCCNC1 ZINC000643491410 387654126 /nfs/dbraw/zinc/65/41/26/387654126.db2.gz OMNDIYGENUCCCR-QKEWWQLBSA-N 1 3 214.328 1.855 20 0 BDADHO CCN(CC)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422749164 387654272 /nfs/dbraw/zinc/65/42/72/387654272.db2.gz XVQLAJUOQMCNEJ-CHWSQXEVSA-N 1 3 227.396 1.306 20 0 BDADHO C[C@H](NCCc1ccccc1F)C1C[NH2+]C1 ZINC000422761173 387662971 /nfs/dbraw/zinc/66/29/71/387662971.db2.gz LOXIMMJRPSXUDO-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO C[C@H]([NH2+]CCc1ccccc1F)C1CNC1 ZINC000422761173 387662973 /nfs/dbraw/zinc/66/29/73/387662973.db2.gz LOXIMMJRPSXUDO-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422760687 387663608 /nfs/dbraw/zinc/66/36/08/387663608.db2.gz GYVKNACAFRDWLL-FVCCEPFGSA-N 1 3 228.380 1.620 20 0 BDADHO CCN1CCC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422764127 387666370 /nfs/dbraw/zinc/66/63/70/387666370.db2.gz UOBKQQRAOVDZPV-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCCC1 ZINC000422767781 387667192 /nfs/dbraw/zinc/66/71/92/387667192.db2.gz ROCLQIZQQOQHLI-STQMWFEESA-N 1 3 225.380 1.060 20 0 BDADHO CC[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC000422779791 387679111 /nfs/dbraw/zinc/67/91/11/387679111.db2.gz JEEVZPWMSUHUMY-UHFFFAOYSA-N 1 3 249.358 1.088 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCCOCC1CC1 ZINC000422782945 387680360 /nfs/dbraw/zinc/68/03/60/387680360.db2.gz KHESJBUCDZRDHE-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000422785006 387682877 /nfs/dbraw/zinc/68/28/77/387682877.db2.gz QLOWDFNWVOZHLU-SDDRHHMPSA-N 1 3 214.353 1.110 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000422783236 387683703 /nfs/dbraw/zinc/68/37/03/387683703.db2.gz NWSCSZMDDAZADP-JZRPKSSGSA-N 1 3 240.391 1.905 20 0 BDADHO O[C@@H]1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786758 387685723 /nfs/dbraw/zinc/68/57/23/387685723.db2.gz QQZJEJWYXIJEDV-BEUHCMRWSA-N 1 3 238.375 1.410 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000422786778 387687518 /nfs/dbraw/zinc/68/75/18/387687518.db2.gz QTEPXAWQKDQFSW-WYUUTHIRSA-N 1 3 212.337 1.007 20 0 BDADHO CN(C)C1(C[NH2+][C@H]2CCC[C@H]2N)CCCC1 ZINC000422786436 387687751 /nfs/dbraw/zinc/68/77/51/387687751.db2.gz ORQDCXIKGGNQAZ-NEPJUHHUSA-N 1 3 225.380 1.330 20 0 BDADHO CO[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793533 387696536 /nfs/dbraw/zinc/69/65/36/387696536.db2.gz SHZZSMKNWQBLIN-QZQCMHJZSA-N 1 3 238.375 1.817 20 0 BDADHO CCCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422742934 387689382 /nfs/dbraw/zinc/68/93/82/387689382.db2.gz HHLLWBVXVHGDNQ-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(C)[C@H]([NH2+]C2CCNCC2)[C@H]2CCCO[C@H]21 ZINC000422788464 387689474 /nfs/dbraw/zinc/68/94/74/387689474.db2.gz VLKTTZFLJNLFTO-JHJVBQTASA-N 1 3 238.375 1.532 20 0 BDADHO CC1(C)[C@H](NC2CC[NH2+]CC2)[C@H]2CCCO[C@H]21 ZINC000422788464 387689481 /nfs/dbraw/zinc/68/94/81/387689481.db2.gz VLKTTZFLJNLFTO-JHJVBQTASA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H](NCCCOc1ccccc1)C1C[NH2+]C1 ZINC000422793798 387696561 /nfs/dbraw/zinc/69/65/61/387696561.db2.gz SUMXKHONYFGKEY-GFCCVEGCSA-N 1 3 234.343 1.653 20 0 BDADHO C[C@@H]([NH2+]CCCOc1ccccc1)C1CNC1 ZINC000422793798 387696568 /nfs/dbraw/zinc/69/65/68/387696568.db2.gz SUMXKHONYFGKEY-GFCCVEGCSA-N 1 3 234.343 1.653 20 0 BDADHO CC1CCN(CCN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422859474 387743373 /nfs/dbraw/zinc/74/33/73/387743373.db2.gz KCVGQXBRQCYPEF-ZIAGYGMSSA-N 1 3 239.407 1.306 20 0 BDADHO CC[NH+](CC)CCCN1CC[C@@H](CCCO)C1 ZINC000452116641 387744200 /nfs/dbraw/zinc/74/42/00/387744200.db2.gz HAFLWLVAAPJNBT-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452116641 387744210 /nfs/dbraw/zinc/74/42/10/387744210.db2.gz HAFLWLVAAPJNBT-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452116641 387744214 /nfs/dbraw/zinc/74/42/14/387744214.db2.gz HAFLWLVAAPJNBT-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO C[C@@H](NCCN1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862094 387744262 /nfs/dbraw/zinc/74/42/62/387744262.db2.gz NJVMRFHSXYPWOY-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](NCCN1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871380 387749737 /nfs/dbraw/zinc/74/97/37/387749737.db2.gz ZYKKWJFGZYPKMM-HZSPNIEDSA-N 1 3 239.407 1.448 20 0 BDADHO COCc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422873461 387753674 /nfs/dbraw/zinc/75/36/74/387753674.db2.gz AKUYUUNTZGXYCR-KGLIPLIRSA-N 1 3 234.343 1.802 20 0 BDADHO CC[C@H](NCCN(CC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422879837 387754421 /nfs/dbraw/zinc/75/44/21/387754421.db2.gz MVHBBAVTDUNEMB-KBPBESRZSA-N 1 3 239.407 1.591 20 0 BDADHO CN(CCN[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422805438 387705928 /nfs/dbraw/zinc/70/59/28/387705928.db2.gz GUIGMDFPLPIPNW-DZGCQCFKSA-N 1 3 247.386 1.840 20 0 BDADHO CN(CC[NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1 ZINC000422805438 387705948 /nfs/dbraw/zinc/70/59/48/387705948.db2.gz GUIGMDFPLPIPNW-DZGCQCFKSA-N 1 3 247.386 1.840 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422806580 387706222 /nfs/dbraw/zinc/70/62/22/387706222.db2.gz IHKJZFYWSPESPV-QWHCGFSZSA-N 1 3 242.407 1.892 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C(C)(C)C ZINC000422811564 387707411 /nfs/dbraw/zinc/70/74/11/387707411.db2.gz PEDUGZJXCRPAOK-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000422811567 387711062 /nfs/dbraw/zinc/71/10/62/387711062.db2.gz PEUKPKYPUDRXNQ-OLZOCXBDSA-N 1 3 236.363 1.251 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@H](C)C[C@@H](C)N ZINC000422813077 387711714 /nfs/dbraw/zinc/71/17/14/387711714.db2.gz RKBFOGPGALYIJU-VXGBXAGGSA-N 1 3 230.396 1.891 20 0 BDADHO C[C@H](NCc1cccc(CN(C)C)c1)C1C[NH2+]C1 ZINC000422812830 387712176 /nfs/dbraw/zinc/71/21/76/387712176.db2.gz WZZNLFJBWUYGHR-LBPRGKRZSA-N 1 3 247.386 1.446 20 0 BDADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422815200 387714834 /nfs/dbraw/zinc/71/48/34/387714834.db2.gz XFRZEUGFCRGJQE-HNGCFSAESA-N 1 3 240.391 1.920 20 0 BDADHO CC[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816311 387715072 /nfs/dbraw/zinc/71/50/72/387715072.db2.gz ZLQZQZPMFRMQSN-MRVWCRGKSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCOCC1 ZINC000422816311 387715075 /nfs/dbraw/zinc/71/50/75/387715075.db2.gz ZLQZQZPMFRMQSN-MRVWCRGKSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816310 387715271 /nfs/dbraw/zinc/71/52/71/387715271.db2.gz ZLQZQZPMFRMQSN-KWCYVHTRSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCN1)C1CCOCC1 ZINC000422816310 387715279 /nfs/dbraw/zinc/71/52/79/387715279.db2.gz ZLQZQZPMFRMQSN-KWCYVHTRSA-N 1 3 240.391 1.922 20 0 BDADHO CNC(=O)c1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422826425 387720203 /nfs/dbraw/zinc/72/02/03/387720203.db2.gz LKTGAVBAHWUGHI-QWRGUYRKSA-N 1 3 249.358 1.262 20 0 BDADHO C[C@@H](F)CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000367523391 387720394 /nfs/dbraw/zinc/72/03/94/387720394.db2.gz OMHBSUAKVDUPMW-MXWKQRLJSA-N 1 3 200.301 1.228 20 0 BDADHO C[C@@H](F)CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000367523391 387720399 /nfs/dbraw/zinc/72/03/99/387720399.db2.gz OMHBSUAKVDUPMW-MXWKQRLJSA-N 1 3 200.301 1.228 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367549890 387723199 /nfs/dbraw/zinc/72/31/99/387723199.db2.gz HPITZKCKVRGVRT-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO COCCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422830679 387723951 /nfs/dbraw/zinc/72/39/51/387723951.db2.gz WCHOXZZGJQUXGD-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO CCN(CC)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127702799 387726370 /nfs/dbraw/zinc/72/63/70/387726370.db2.gz ADOQIVYVOHPQBD-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO CCN(CC)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127702799 387726373 /nfs/dbraw/zinc/72/63/73/387726373.db2.gz ADOQIVYVOHPQBD-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO CO[C@H]1CCC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000643523527 387729991 /nfs/dbraw/zinc/72/99/91/387729991.db2.gz RGMMZRXFYMNPBM-TUAOUCFPSA-N 1 3 212.337 1.286 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCCOC1 ZINC000422855592 387738255 /nfs/dbraw/zinc/73/82/55/387738255.db2.gz CODPDARBERRPKO-QJPTWQEYSA-N 1 3 212.337 1.415 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCCOC1 ZINC000422855591 387739140 /nfs/dbraw/zinc/73/91/40/387739140.db2.gz CODPDARBERRPKO-IJLUTSLNSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](NCCN1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422857398 387740379 /nfs/dbraw/zinc/74/03/79/387740379.db2.gz HIVKSHLLFYIYLF-RYUDHWBXSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]([NH3+])CN[C@H](C)CCc1n[nH]c2ccccc12 ZINC000643527369 387763257 /nfs/dbraw/zinc/76/32/57/387763257.db2.gz LRMOMODDCXJDJM-GHMZBOCLSA-N 1 3 246.358 1.821 20 0 BDADHO C[C@@H](N[C@H](C)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422892041 387763469 /nfs/dbraw/zinc/76/34/69/387763469.db2.gz LWASCNCEWQBUGW-NQBHXWOUSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@H](C)C1CCOCC1)[C@H]1CCCN1 ZINC000422892041 387763472 /nfs/dbraw/zinc/76/34/72/387763472.db2.gz LWASCNCEWQBUGW-NQBHXWOUSA-N 1 3 226.364 1.532 20 0 BDADHO COCCC1(C[NH2+][C@H](C)C2CNC2)CCCC1 ZINC000422891941 387764265 /nfs/dbraw/zinc/76/42/65/387764265.db2.gz WYRSSBMWUKZKHS-GFCCVEGCSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H](NC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422896423 387766486 /nfs/dbraw/zinc/76/64/86/387766486.db2.gz IGVNRCQBDQLONM-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](N)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000643528250 387768197 /nfs/dbraw/zinc/76/81/97/387768197.db2.gz GBPUKWBLYYDYPC-PRHODGIISA-N 1 3 208.280 1.750 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422909695 387769198 /nfs/dbraw/zinc/76/91/98/387769198.db2.gz OSZGGGJHECWEGY-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]([NH2+]CCCc1cccc(F)c1)C1CNC1 ZINC000422910060 387769210 /nfs/dbraw/zinc/76/92/10/387769210.db2.gz PPARHIDAWVZSKK-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO C[C@@H](NCCCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422910060 387769215 /nfs/dbraw/zinc/76/92/15/387769215.db2.gz PPARHIDAWVZSKK-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)N)CC2 ZINC000643528417 387770269 /nfs/dbraw/zinc/77/02/69/387770269.db2.gz IZUMROXADHZHLH-RNCFNFMXSA-N 1 3 220.316 1.619 20 0 BDADHO CN(C)c1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422914883 387771251 /nfs/dbraw/zinc/77/12/51/387771251.db2.gz WJEUXSUXJTZMJJ-JSGCOSHPSA-N 1 3 247.386 1.970 20 0 BDADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C)N ZINC000643529009 387772309 /nfs/dbraw/zinc/77/23/09/387772309.db2.gz SOHRYANSXCKPNL-JOYOIKCWSA-N 1 3 220.316 1.619 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422937198 387782595 /nfs/dbraw/zinc/78/25/95/387782595.db2.gz NVXICCATPZQWCA-HBNTYKKESA-N 1 3 216.394 1.716 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCSCCCO ZINC000422979544 387789508 /nfs/dbraw/zinc/78/95/08/387789508.db2.gz MZWDHGJMAMUVJU-RYUDHWBXSA-N 1 3 246.420 1.352 20 0 BDADHO CCCC(O)(CCC)CN[C@H](C)C1C[NH2+]C1 ZINC000422979164 387789571 /nfs/dbraw/zinc/78/95/71/387789571.db2.gz LNTUONDHSRUYIX-LLVKDONJSA-N 1 3 228.380 1.515 20 0 BDADHO CCCC(O)(CCC)C[NH2+][C@H](C)C1CNC1 ZINC000422979164 387789580 /nfs/dbraw/zinc/78/95/80/387789580.db2.gz LNTUONDHSRUYIX-LLVKDONJSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000422985363 387796058 /nfs/dbraw/zinc/79/60/58/387796058.db2.gz DKEQRJVCSDOLES-WUHRBBMRSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@H](CO)c1cccc(F)c1 ZINC000422985619 387796680 /nfs/dbraw/zinc/79/66/80/387796680.db2.gz FMFQKNWAACZWSF-GXFFZTMASA-N 1 3 240.322 1.576 20 0 BDADHO OCCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157449314 387798806 /nfs/dbraw/zinc/79/88/06/387798806.db2.gz RDLVTIBAYQNYFY-QWHCGFSZSA-N 1 3 238.375 1.365 20 0 BDADHO OCCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157449314 387798811 /nfs/dbraw/zinc/79/88/11/387798811.db2.gz RDLVTIBAYQNYFY-QWHCGFSZSA-N 1 3 238.375 1.365 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222050588 387802186 /nfs/dbraw/zinc/80/21/86/387802186.db2.gz NKUDENWXOTXFOW-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222050588 387802193 /nfs/dbraw/zinc/80/21/93/387802193.db2.gz NKUDENWXOTXFOW-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)C1CNC1 ZINC000423001533 387805062 /nfs/dbraw/zinc/80/50/62/387805062.db2.gz DVHOBCQRAGWRFQ-RISCZKNCSA-N 1 3 240.391 1.515 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001245 387805069 /nfs/dbraw/zinc/80/50/69/387805069.db2.gz DIRPBVWDSLQMJO-XUXIUFHCSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880921 387758183 /nfs/dbraw/zinc/75/81/83/387758183.db2.gz XUEMCGTWQYRBRU-ZMJPVWNMSA-N 1 3 237.391 1.199 20 0 BDADHO CCC(CC)(CO)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423003234 387825580 /nfs/dbraw/zinc/82/55/80/387825580.db2.gz LDHAIHYEFQKOGK-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)N[C@H]1CCC[C@H]1[NH3+] ZINC000422975873 387826726 /nfs/dbraw/zinc/82/67/26/387826726.db2.gz HOYQPJUINHBMDC-HONMWMINSA-N 1 3 234.343 1.793 20 0 BDADHO C[NH2+]C[C@](C)(O)CN(C)CCC1CCCCC1 ZINC000564095306 387826978 /nfs/dbraw/zinc/82/69/78/387826978.db2.gz ZSIXVOSOBONAEY-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO CNC[C@](C)(O)C[N@H+](C)CCC1CCCCC1 ZINC000564095306 387826983 /nfs/dbraw/zinc/82/69/83/387826983.db2.gz ZSIXVOSOBONAEY-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO CNC[C@](C)(O)C[N@@H+](C)CCC1CCCCC1 ZINC000564095306 387826987 /nfs/dbraw/zinc/82/69/87/387826987.db2.gz ZSIXVOSOBONAEY-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000423006083 387829152 /nfs/dbraw/zinc/82/91/52/387829152.db2.gz NXUVPZJUWLEPAO-MNOVXSKESA-N 1 3 216.369 1.501 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1ccccn1 ZINC000423008185 387831934 /nfs/dbraw/zinc/83/19/34/387831934.db2.gz SNTHHFVTNLSRML-QWHCGFSZSA-N 1 3 248.374 1.471 20 0 BDADHO CCC[C@@H](CCO)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423008524 387832159 /nfs/dbraw/zinc/83/21/59/387832159.db2.gz SWYAAAPNFIXKBN-RDBSUJKOSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H](CSC)N[C@H](C)C1C[NH2+]C1 ZINC000423013987 387835601 /nfs/dbraw/zinc/83/56/01/387835601.db2.gz HFQOCWSJQQWTSF-SCZZXKLOSA-N 1 3 202.367 1.326 20 0 BDADHO CC[C@@H](CSC)[NH2+][C@H](C)C1CNC1 ZINC000423013987 387835604 /nfs/dbraw/zinc/83/56/04/387835604.db2.gz HFQOCWSJQQWTSF-SCZZXKLOSA-N 1 3 202.367 1.326 20 0 BDADHO CO[C@@H]1CCC[C@@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013145 387836512 /nfs/dbraw/zinc/83/65/12/387836512.db2.gz FFENVEBAYRSRKQ-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@H]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013730 387836708 /nfs/dbraw/zinc/83/67/08/387836708.db2.gz GLSSKKNAPJYIFG-YIPFDTCYSA-N 1 3 238.375 1.674 20 0 BDADHO Cc1cncc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423016265 387838757 /nfs/dbraw/zinc/83/87/57/387838757.db2.gz SOPLCXITTMVFRR-QWHCGFSZSA-N 1 3 219.332 1.607 20 0 BDADHO C[C@H](NC[C@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029547 387846878 /nfs/dbraw/zinc/84/68/78/387846878.db2.gz IIOMLOIGDFPJIE-GXSJLCMTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCS1)C1CNC1 ZINC000423029547 387846883 /nfs/dbraw/zinc/84/68/83/387846883.db2.gz IIOMLOIGDFPJIE-GXSJLCMTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H](NC[C@@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029548 387847403 /nfs/dbraw/zinc/84/74/03/387847403.db2.gz IIOMLOIGDFPJIE-KOLCDFICSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCCCS1)C1CNC1 ZINC000423029548 387847406 /nfs/dbraw/zinc/84/74/06/387847406.db2.gz IIOMLOIGDFPJIE-KOLCDFICSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC1Cc2ccccc2C1 ZINC000423031905 387848064 /nfs/dbraw/zinc/84/80/64/387848064.db2.gz DWNSPLILUPUUEE-MNOVXSKESA-N 1 3 218.344 1.869 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423031905 387848068 /nfs/dbraw/zinc/84/80/68/387848068.db2.gz DWNSPLILUPUUEE-MNOVXSKESA-N 1 3 218.344 1.869 20 0 BDADHO CC1=CCN(CCN[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038783 387853543 /nfs/dbraw/zinc/85/35/43/387853543.db2.gz PBBBXXDNXYUSAK-KBPBESRZSA-N 1 3 237.391 1.355 20 0 BDADHO CC1=CCN(CC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000423038783 387853549 /nfs/dbraw/zinc/85/35/49/387853549.db2.gz PBBBXXDNXYUSAK-KBPBESRZSA-N 1 3 237.391 1.355 20 0 BDADHO C[C@H](NC1(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000423047509 387856940 /nfs/dbraw/zinc/85/69/40/387856940.db2.gz GJCRQQNFIRLMQV-LBPRGKRZSA-N 1 3 230.355 1.959 20 0 BDADHO C[C@H]([NH2+]C1(Cc2ccccc2)CC1)C1CNC1 ZINC000423047509 387856946 /nfs/dbraw/zinc/85/69/46/387856946.db2.gz GJCRQQNFIRLMQV-LBPRGKRZSA-N 1 3 230.355 1.959 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423053178 387860853 /nfs/dbraw/zinc/86/08/53/387860853.db2.gz RGKBWHHBNPCOME-HLTSFMKQSA-N 1 3 224.270 1.902 20 0 BDADHO CO[C@H](C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423061529 387864535 /nfs/dbraw/zinc/86/45/35/387864535.db2.gz RCACSCYVTULACC-MXWKQRLJSA-N 1 3 200.326 1.271 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000423059219 387865637 /nfs/dbraw/zinc/86/56/37/387865637.db2.gz FIHJZLVYPXSGDJ-XUXIUFHCSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@H](O)C1(C)C ZINC000423065322 387869223 /nfs/dbraw/zinc/86/92/23/387869223.db2.gz UBQONFUTLYKTHR-RHYQMDGZSA-N 1 3 226.364 1.124 20 0 BDADHO CO[C@@H]1CC[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423066003 387869251 /nfs/dbraw/zinc/86/92/51/387869251.db2.gz COVBNHSHWQUBHU-FDYHWXHSSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOCC(F)F ZINC000423065805 387870104 /nfs/dbraw/zinc/87/01/04/387870104.db2.gz CMSWBSJCEXACQP-UWVGGRQHSA-N 1 3 236.306 1.246 20 0 BDADHO CCOC1CC(CC[NH2+][C@H](C)C[C@H](C)N)C1 ZINC000423069754 387871402 /nfs/dbraw/zinc/87/14/02/387871402.db2.gz LZCAIBZLNMKADJ-ZFDZMSFRSA-N 1 3 228.380 1.907 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423069828 387871652 /nfs/dbraw/zinc/87/16/52/387871652.db2.gz MJJVDYPTFOZCEF-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423070835 387871857 /nfs/dbraw/zinc/87/18/57/387871857.db2.gz DPEJVEBMGBJGEA-MGPQQGTHSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCCN1C1CC1 ZINC000423070835 387871861 /nfs/dbraw/zinc/87/18/61/387871861.db2.gz DPEJVEBMGBJGEA-MGPQQGTHSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccco1 ZINC000422963125 387813914 /nfs/dbraw/zinc/81/39/14/387813914.db2.gz HPBJKKBRWDEBSN-AAEUAGOBSA-N 1 3 222.332 1.800 20 0 BDADHO C[C@H]([NH3+])CN[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000442667186 387818768 /nfs/dbraw/zinc/81/87/68/387818768.db2.gz VUUQCSVWFATPPV-MDZLAQPJSA-N 1 3 228.380 1.501 20 0 BDADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N(C)C ZINC000422968378 387818968 /nfs/dbraw/zinc/81/89/68/387818968.db2.gz WOYGITPDIKAEJA-MJBXVCDLSA-N 1 3 241.423 1.822 20 0 BDADHO C[C@H](NC[C@@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105379 387891074 /nfs/dbraw/zinc/89/10/74/387891074.db2.gz IIWJBYHCRASBLV-RFGFWPKPSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NC[C@@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105384 387891817 /nfs/dbraw/zinc/89/18/17/387891817.db2.gz IIWJBYHCRASBLV-ZOBORPQBSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423106910 387892251 /nfs/dbraw/zinc/89/22/51/387892251.db2.gz RQHKINRYOXASCU-OUCADQQQSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](CO)CC1CCCC1 ZINC000423106910 387892254 /nfs/dbraw/zinc/89/22/54/387892254.db2.gz RQHKINRYOXASCU-OUCADQQQSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](NC[C@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109698 387893528 /nfs/dbraw/zinc/89/35/28/387893528.db2.gz NZXIYQRIBCLMJB-YVECIDJPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CCCN1 ZINC000423109698 387893531 /nfs/dbraw/zinc/89/35/31/387893531.db2.gz NZXIYQRIBCLMJB-YVECIDJPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000423116617 387898365 /nfs/dbraw/zinc/89/83/65/387898365.db2.gz QPUCOKBBCBTICK-UTINFBMNSA-N 1 3 236.306 1.862 20 0 BDADHO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000423085869 387881518 /nfs/dbraw/zinc/88/15/18/387881518.db2.gz LRQXJGFSGHBOSB-XQQFMLRXSA-N 1 3 239.407 1.576 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C1 ZINC000423094968 387884708 /nfs/dbraw/zinc/88/47/08/387884708.db2.gz LBWAGTBCVGGOER-PWSUYJOCSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC000423094968 387884710 /nfs/dbraw/zinc/88/47/10/387884710.db2.gz LBWAGTBCVGGOER-PWSUYJOCSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000423099399 387886580 /nfs/dbraw/zinc/88/65/80/387886580.db2.gz UCRRSLXKCVIGKF-NOOOWODRSA-N 1 3 240.347 1.188 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)C1C[NH2+]C1 ZINC000423115900 387898755 /nfs/dbraw/zinc/89/87/55/387898755.db2.gz OMNGURQSSRRQGJ-JMJZKYOTSA-N 1 3 248.317 1.734 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C1CNC1 ZINC000423115900 387898758 /nfs/dbraw/zinc/89/87/58/387898758.db2.gz OMNGURQSSRRQGJ-JMJZKYOTSA-N 1 3 248.317 1.734 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H](CO)CCC(C)(C)C ZINC000423099891 387887374 /nfs/dbraw/zinc/88/73/74/387887374.db2.gz UOFJQFOHSOVHNM-TUAOUCFPSA-N 1 3 230.396 1.889 20 0 BDADHO CCSCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000423102887 387888593 /nfs/dbraw/zinc/88/85/93/387888593.db2.gz AGEMRSLMHZAMBN-MNOVXSKESA-N 1 3 216.394 1.717 20 0 BDADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]1N ZINC000423120954 387900525 /nfs/dbraw/zinc/90/05/25/387900525.db2.gz ACOMJNXZDJTNAK-QJPTWQEYSA-N 1 3 241.379 1.008 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1cn[nH]c1 ZINC000423126618 387905066 /nfs/dbraw/zinc/90/50/66/387905066.db2.gz RYLVSZLXHAZGLU-RYUDHWBXSA-N 1 3 222.336 1.202 20 0 BDADHO COCC(C)(C)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423131478 387910051 /nfs/dbraw/zinc/91/00/51/387910051.db2.gz NZFIAGDSKLDWIB-MNOVXSKESA-N 1 3 214.353 1.247 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423135932 387914668 /nfs/dbraw/zinc/91/46/68/387914668.db2.gz YKHIEJRUXKDHDS-YFKTTZPYSA-N 1 3 214.328 1.984 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000423137609 387914776 /nfs/dbraw/zinc/91/47/76/387914776.db2.gz IHVLLOKAJCENAN-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H](CO)C1CCCCC1 ZINC000423138797 387915706 /nfs/dbraw/zinc/91/57/06/387915706.db2.gz UDTLETZVNUDORD-MGPQQGTHSA-N 1 3 240.391 1.645 20 0 BDADHO CCc1ncc(CN[C@H](C)CCCC[NH3+])o1 ZINC000423154021 387932212 /nfs/dbraw/zinc/93/22/12/387932212.db2.gz IMKQJEYXEIOGQM-SNVBAGLBSA-N 1 3 225.336 1.844 20 0 BDADHO CC/C=C/CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423156253 387934179 /nfs/dbraw/zinc/93/41/79/387934179.db2.gz KUYFSCJUBAJBSR-VWLQNONNSA-N 1 3 212.337 1.295 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423163831 387922334 /nfs/dbraw/zinc/92/23/34/387922334.db2.gz NOLWXUKMZJZUCV-RVMXOQNASA-N 1 3 226.364 1.659 20 0 BDADHO Cc1cccnc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423146864 387925028 /nfs/dbraw/zinc/92/50/28/387925028.db2.gz BJVWHPPRDFEUMF-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccnc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000423146864 387925032 /nfs/dbraw/zinc/92/50/32/387925032.db2.gz BJVWHPPRDFEUMF-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccnc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000423146862 387925473 /nfs/dbraw/zinc/92/54/73/387925473.db2.gz BJVWHPPRDFEUMF-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccnc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000423146862 387925480 /nfs/dbraw/zinc/92/54/80/387925480.db2.gz BJVWHPPRDFEUMF-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CN ZINC000423149797 387926935 /nfs/dbraw/zinc/92/69/35/387926935.db2.gz IBQBUEXRZXPLSK-ZDEQEGDKSA-N 1 3 210.365 1.996 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423169183 387955486 /nfs/dbraw/zinc/95/54/86/387955486.db2.gz VPQHOXMGHFEEOT-RAIGVLPGSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000423169183 387955489 /nfs/dbraw/zinc/95/54/89/387955489.db2.gz VPQHOXMGHFEEOT-RAIGVLPGSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423160616 387942204 /nfs/dbraw/zinc/94/22/04/387942204.db2.gz ZWXHTINHIVUJIL-HTVCTNPSSA-N 1 3 240.391 1.620 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1C[C@@H](O)C1 ZINC000423161637 387944037 /nfs/dbraw/zinc/94/40/37/387944037.db2.gz JLYBHDWGDOQXEB-QNWHQSFQSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000423162818 387945389 /nfs/dbraw/zinc/94/53/89/387945389.db2.gz QHFWCOJUYPUTIN-RNJOBUHISA-N 1 3 226.364 1.125 20 0 BDADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000423163293 387945721 /nfs/dbraw/zinc/94/57/21/387945721.db2.gz MNLXXCGSCMXJPL-YIONKMFJSA-N 1 3 245.370 1.805 20 0 BDADHO CCN(C)C(=O)[C@@H](N[C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423163989 387946629 /nfs/dbraw/zinc/94/66/29/387946629.db2.gz WIQCOMIWYQCKDX-WOPDTQHZSA-N 1 3 243.395 1.205 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423166231 387950038 /nfs/dbraw/zinc/95/00/38/387950038.db2.gz QZIISFOYKGVMDD-KXNHARMFSA-N 1 3 214.353 1.658 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172790 387959738 /nfs/dbraw/zinc/95/97/38/387959738.db2.gz VGENCBOOCHAKQR-ZMLRMANQSA-N 1 3 224.348 1.142 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CNC2)C12CCC2 ZINC000423172790 387959740 /nfs/dbraw/zinc/95/97/40/387959740.db2.gz VGENCBOOCHAKQR-ZMLRMANQSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423175233 387961388 /nfs/dbraw/zinc/96/13/88/387961388.db2.gz DMIXETXWUMXWIN-CRWXNKLISA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCc1ccccc1F)NCC[NH3+] ZINC000423176251 387962219 /nfs/dbraw/zinc/96/22/19/387962219.db2.gz FWAPFASCYFJBPO-SNVBAGLBSA-N 1 3 210.296 1.695 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423178176 387964827 /nfs/dbraw/zinc/96/48/27/387964827.db2.gz HWCBZQNRFVFMRN-WHOHXGKFSA-N 1 3 220.316 1.853 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN)C1(CC)CC ZINC000423184366 387969234 /nfs/dbraw/zinc/96/92/34/387969234.db2.gz IMMOBDLHSFRARB-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH3+])C1(CC)CC ZINC000423184366 387969237 /nfs/dbraw/zinc/96/92/37/387969237.db2.gz IMMOBDLHSFRARB-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO CCN(CC)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400499002 387980084 /nfs/dbraw/zinc/98/00/84/387980084.db2.gz ICQJSXWDJHIHQM-RYUDHWBXSA-N 1 3 213.369 1.058 20 0 BDADHO CC[C@H]([NH2+]CCCN)C1(C(=O)OC)CCC1 ZINC000423188308 387972950 /nfs/dbraw/zinc/97/29/50/387972950.db2.gz LNQRVTHJDPEBIV-JTQLQIEISA-N 1 3 228.336 1.047 20 0 BDADHO CC[C@H](NCCC[NH3+])C1(C(=O)OC)CCC1 ZINC000423188308 387972955 /nfs/dbraw/zinc/97/29/55/387972955.db2.gz LNQRVTHJDPEBIV-JTQLQIEISA-N 1 3 228.336 1.047 20 0 BDADHO CC[C@H](NC[C@@H]1C[C@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188862 387974583 /nfs/dbraw/zinc/97/45/83/387974583.db2.gz QRIQWRFYRWXHDV-PEDHHIEDSA-N 1 3 240.391 1.920 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)[C@@H]1CCCN1 ZINC000423188862 387974586 /nfs/dbraw/zinc/97/45/86/387974586.db2.gz QRIQWRFYRWXHDV-PEDHHIEDSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191432 387976089 /nfs/dbraw/zinc/97/60/89/387976089.db2.gz SWQIIHLMSRLROL-GDGRRUBZSA-N 1 3 226.389 1.753 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[NH3+])C1(CC)CC ZINC000423192999 387977568 /nfs/dbraw/zinc/97/75/68/387977568.db2.gz WDPNAEQAMKVGRP-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423207671 387992906 /nfs/dbraw/zinc/99/29/06/387992906.db2.gz YBQUCFOCKPCBAX-UTUOFQBUSA-N 1 3 226.364 1.389 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423207671 387992910 /nfs/dbraw/zinc/99/29/10/387992910.db2.gz YBQUCFOCKPCBAX-UTUOFQBUSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCC[NH3+] ZINC000423197229 387982213 /nfs/dbraw/zinc/98/22/13/387982213.db2.gz YMGROEXRIOAHKP-TVQRCGJNSA-N 1 3 222.307 1.997 20 0 BDADHO CCC1(CC)[C@@H](NCCC[NH2+]C)C[C@@H]1OC ZINC000423198723 387984793 /nfs/dbraw/zinc/98/47/93/387984793.db2.gz HLVRTQJADOUUAV-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO CNCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423202252 387987228 /nfs/dbraw/zinc/98/72/28/387987228.db2.gz QLBJZNBLAIEPCB-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218915 387999596 /nfs/dbraw/zinc/99/95/96/387999596.db2.gz SLHXWTJDRBKJCK-IRCOFANPSA-N 1 3 214.353 1.388 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423218915 387999601 /nfs/dbraw/zinc/99/96/01/387999601.db2.gz SLHXWTJDRBKJCK-IRCOFANPSA-N 1 3 214.353 1.388 20 0 BDADHO c1cnn(CCN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420405895 388000253 /nfs/dbraw/zinc/00/02/53/388000253.db2.gz UESZNRORZXTEIS-KGLIPLIRSA-N 1 3 248.374 1.347 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+]CCOCCN(C)C ZINC000453209936 388011202 /nfs/dbraw/zinc/01/12/02/388011202.db2.gz CPPXTONMQRKSOR-GFCCVEGCSA-N 1 3 240.347 1.378 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N ZINC000423226213 388010152 /nfs/dbraw/zinc/01/01/52/388010152.db2.gz PTTMLAWQXAQTTN-SRVKXCTJSA-N 1 3 214.353 1.519 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N ZINC000423226212 388010165 /nfs/dbraw/zinc/01/01/65/388010165.db2.gz PTTMLAWQXAQTTN-SDDRHHMPSA-N 1 3 214.353 1.519 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423230869 388015013 /nfs/dbraw/zinc/01/50/13/388015013.db2.gz FMLLWODLBMXIGT-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCN1 ZINC000423230869 388015016 /nfs/dbraw/zinc/01/50/16/388015016.db2.gz FMLLWODLBMXIGT-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423230286 388015334 /nfs/dbraw/zinc/01/53/34/388015334.db2.gz DFKOYHSFRLBGGT-QJPTWQEYSA-N 1 3 242.363 1.163 20 0 BDADHO CC[NH2+]CCN[C@H]1CCC[C@@H]1CCOC ZINC000423230208 388015908 /nfs/dbraw/zinc/01/59/08/388015908.db2.gz CYLGHOJHGBUGQM-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)CN(C)C ZINC000453240654 388021849 /nfs/dbraw/zinc/02/18/49/388021849.db2.gz OGDJNWKPCUEHSQ-RYUDHWBXSA-N 1 3 236.363 1.195 20 0 BDADHO C[C@@H](CN[C@@H](C)Cc1cnccn1)C[NH+](C)C ZINC000453240654 388021851 /nfs/dbraw/zinc/02/18/51/388021851.db2.gz OGDJNWKPCUEHSQ-RYUDHWBXSA-N 1 3 236.363 1.195 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423251031 388033996 /nfs/dbraw/zinc/03/39/96/388033996.db2.gz VJGGAJAHOUCUHU-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000156794643 388034953 /nfs/dbraw/zinc/03/49/53/388034953.db2.gz UCSIHKNYUFXXSP-KBPBESRZSA-N 1 3 241.423 1.648 20 0 BDADHO N[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000423254581 388034964 /nfs/dbraw/zinc/03/49/64/388034964.db2.gz YOWGDDSIFNXSKR-BFHYXJOUSA-N 1 3 233.359 1.403 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423272384 388051000 /nfs/dbraw/zinc/05/10/00/388051000.db2.gz HXQPIKGNTORRAS-XQQFMLRXSA-N 1 3 228.380 1.909 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423273368 388053181 /nfs/dbraw/zinc/05/31/81/388053181.db2.gz KLKBNLSEOJITEF-UMSGYPCISA-N 1 3 240.391 1.763 20 0 BDADHO COC[C@@H](NCC(C)(C)[NH3+])C1CCCC1 ZINC000423281166 388064146 /nfs/dbraw/zinc/06/41/46/388064146.db2.gz APMHEEMJDGXMKQ-LLVKDONJSA-N 1 3 214.353 1.519 20 0 BDADHO CCN1C[C@@H](C)[C@H]([NH2+]CC(N)(CC)CC)C1 ZINC000423283955 388067116 /nfs/dbraw/zinc/06/71/16/388067116.db2.gz GCXAEIMMSNYOCX-VXGBXAGGSA-N 1 3 227.396 1.434 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000423285309 388068245 /nfs/dbraw/zinc/06/82/45/388068245.db2.gz ZINLJTWXOLGYCA-QJPTWQEYSA-N 1 3 216.344 1.960 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423284824 388069172 /nfs/dbraw/zinc/06/91/72/388069172.db2.gz YQGOBICJZMKQDW-NTZNESFSSA-N 1 3 225.380 1.185 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423286508 388071152 /nfs/dbraw/zinc/07/11/52/388071152.db2.gz HSDDCLGMABBFFB-NWDGAFQWSA-N 1 3 239.407 1.719 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423286508 388071156 /nfs/dbraw/zinc/07/11/56/388071156.db2.gz HSDDCLGMABBFFB-NWDGAFQWSA-N 1 3 239.407 1.719 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000423286853 388071218 /nfs/dbraw/zinc/07/12/18/388071218.db2.gz JCUHDZSZNOJJBW-WDEREUQCSA-N 1 3 214.353 1.661 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H](C)[C@H]1CCCO1 ZINC000423286853 388071219 /nfs/dbraw/zinc/07/12/19/388071219.db2.gz JCUHDZSZNOJJBW-WDEREUQCSA-N 1 3 214.353 1.661 20 0 BDADHO Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000084221737 388075662 /nfs/dbraw/zinc/07/56/62/388075662.db2.gz VCKJGWHCNOEEHO-QWHCGFSZSA-N 1 3 219.332 1.607 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423291389 388075876 /nfs/dbraw/zinc/07/58/76/388075876.db2.gz ICRMPNPMWLPBRR-GMTAPVOTSA-N 1 3 214.353 1.659 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@@H]1CCCO1 ZINC000423295218 388076879 /nfs/dbraw/zinc/07/68/79/388076879.db2.gz DQHUNQSRSVYUTI-UTUOFQBUSA-N 1 3 214.353 1.661 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423294606 388077746 /nfs/dbraw/zinc/07/77/46/388077746.db2.gz CIZYJGMKTUSDFA-JHJVBQTASA-N 1 3 239.407 1.719 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000423297956 388079955 /nfs/dbraw/zinc/07/99/55/388079955.db2.gz MNZTUHFRTUXDCD-JHJVBQTASA-N 1 3 227.396 1.434 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC12CCCC2 ZINC000447602328 388081994 /nfs/dbraw/zinc/08/19/94/388081994.db2.gz UGCWZZYHHLDCPA-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CCCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000336661380 388102872 /nfs/dbraw/zinc/10/28/72/388102872.db2.gz JYSYGKRGQFUYRP-AVGNSLFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1CC[N@H+](CCCN2CCCCC2)C[C@@H]1O ZINC000162225675 388128393 /nfs/dbraw/zinc/12/83/93/388128393.db2.gz ZJDMBRNBCPNDAA-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1CC[N@@H+](CCCN2CCCCC2)C[C@@H]1O ZINC000162225675 388128395 /nfs/dbraw/zinc/12/83/95/388128395.db2.gz ZJDMBRNBCPNDAA-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103352 388142947 /nfs/dbraw/zinc/14/29/47/388142947.db2.gz DDVOZGWQGRGBRK-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH+]1CCC2(CC1)CN(C1CCCC1)CCO2 ZINC000646105689 388143212 /nfs/dbraw/zinc/14/32/12/388143212.db2.gz CSAPNRBVBUUJQH-UHFFFAOYSA-N 1 3 238.375 1.726 20 0 BDADHO CC(C)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103862 388143405 /nfs/dbraw/zinc/14/34/05/388143405.db2.gz QVXULCQNOMUXJE-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449649049 388248506 /nfs/dbraw/zinc/24/85/06/388248506.db2.gz RLWCDRMTGAQQPF-TUAOUCFPSA-N 1 3 241.379 1.138 20 0 BDADHO CCC[C@](C)(N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680524 388251279 /nfs/dbraw/zinc/25/12/79/388251279.db2.gz BZSUCJGPLSCWLN-YPMHNXCESA-N 1 3 241.379 1.152 20 0 BDADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000449675314 388251481 /nfs/dbraw/zinc/25/14/81/388251481.db2.gz ZHLOBYQQWWFXCP-SNVBAGLBSA-N 1 3 247.342 1.616 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489459916 388216069 /nfs/dbraw/zinc/21/60/69/388216069.db2.gz AFMSNLYCFDSYPO-SKDRFNHKSA-N 1 3 235.331 1.628 20 0 BDADHO CCC[C@@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468824 388217668 /nfs/dbraw/zinc/21/76/68/388217668.db2.gz JIIQQCIQMBNPBF-ZWNOBZJWSA-N 1 3 249.358 1.450 20 0 BDADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000449569336 388234816 /nfs/dbraw/zinc/23/48/16/388234816.db2.gz BEBNIGLPCXUSRY-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@H](C)N1CCCCCC1 ZINC000449608678 388241414 /nfs/dbraw/zinc/24/14/14/388241414.db2.gz JLAVEMLFPQGZMA-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000491572111 388304444 /nfs/dbraw/zinc/30/44/44/388304444.db2.gz LDUGUTSJASVXIP-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO CCSCCN[C@@](C)(C[NH3+])C1CC1 ZINC000261530169 135157448 /nfs/dbraw/zinc/15/74/48/135157448.db2.gz XOTRHQBLKOTJQQ-JTQLQIEISA-N 1 3 202.367 1.457 20 0 BDADHO CO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)C1(C)C ZINC000451489862 388277478 /nfs/dbraw/zinc/27/74/78/388277478.db2.gz HSUUNVYYKCXPNG-JHJVBQTASA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@@H](NCC[C@H]2CCC[N@@H+]2C)C1(C)C ZINC000451489862 388277480 /nfs/dbraw/zinc/27/74/80/388277480.db2.gz HSUUNVYYKCXPNG-JHJVBQTASA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@@H](NCC[C@H]2CCC[N@H+]2C)C1(C)C ZINC000451489862 388277482 /nfs/dbraw/zinc/27/74/82/388277482.db2.gz HSUUNVYYKCXPNG-JHJVBQTASA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](N)C[C@@H]1C ZINC000300376714 388363737 /nfs/dbraw/zinc/36/37/37/388363737.db2.gz JXEBAUYMGZKLKM-YFKTTZPYSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](N)C[C@@H]1C ZINC000300376714 388363739 /nfs/dbraw/zinc/36/37/39/388363739.db2.gz JXEBAUYMGZKLKM-YFKTTZPYSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000300376714 388363742 /nfs/dbraw/zinc/36/37/42/388363742.db2.gz JXEBAUYMGZKLKM-YFKTTZPYSA-N 1 3 212.337 1.223 20 0 BDADHO Cc1ccccc1C[C@@H](C)N[C@H](C)C[NH3+] ZINC000235461693 388369504 /nfs/dbraw/zinc/36/95/04/388369504.db2.gz PIBVJKMFCMZMPQ-VXGBXAGGSA-N 1 3 206.333 1.863 20 0 BDADHO CC1(C)[C@@H](O)C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000163874945 388369712 /nfs/dbraw/zinc/36/97/12/388369712.db2.gz BBJWJZJGRNNZFT-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CC1(C)CN[C@@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578680 388387614 /nfs/dbraw/zinc/38/76/14/388387614.db2.gz AUHCCJZWOAOTJB-LLVKDONJSA-N 1 3 233.315 1.082 20 0 BDADHO FC1(F)CC[C@@H](C[N@@H+]2CCCNCC2)C1 ZINC000300811304 388395265 /nfs/dbraw/zinc/39/52/65/388395265.db2.gz FGATXFJKDWAXDP-SNVBAGLBSA-N 1 3 218.291 1.717 20 0 BDADHO FC1(F)CC[C@@H](C[N@H+]2CCCNCC2)C1 ZINC000300811304 388395267 /nfs/dbraw/zinc/39/52/67/388395267.db2.gz FGATXFJKDWAXDP-SNVBAGLBSA-N 1 3 218.291 1.717 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393910619 388445703 /nfs/dbraw/zinc/44/57/03/388445703.db2.gz BJZBRVIRAMHDRS-QEYWKRMJSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393910619 388445705 /nfs/dbraw/zinc/44/57/05/388445705.db2.gz BJZBRVIRAMHDRS-QEYWKRMJSA-N 1 3 218.291 1.570 20 0 BDADHO CCOCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397394561 388466099 /nfs/dbraw/zinc/46/60/99/388466099.db2.gz OVLFZJNQYLEEOW-XQQFMLRXSA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397394561 388466101 /nfs/dbraw/zinc/46/61/01/388466101.db2.gz OVLFZJNQYLEEOW-XQQFMLRXSA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397394561 388466104 /nfs/dbraw/zinc/46/61/04/388466104.db2.gz OVLFZJNQYLEEOW-XQQFMLRXSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)C[C@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000307821764 388427831 /nfs/dbraw/zinc/42/78/31/388427831.db2.gz VFEDYDJQRFRIDO-CQSZACIVSA-N 1 3 239.407 1.260 20 0 BDADHO CC(C)C[C@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000307821764 388427832 /nfs/dbraw/zinc/42/78/32/388427832.db2.gz VFEDYDJQRFRIDO-CQSZACIVSA-N 1 3 239.407 1.260 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522299 388432154 /nfs/dbraw/zinc/43/21/54/388432154.db2.gz QGSOOUUZVCNUDB-MMWGEVLESA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522299 388432155 /nfs/dbraw/zinc/43/21/55/388432155.db2.gz QGSOOUUZVCNUDB-MMWGEVLESA-N 1 3 232.318 1.960 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802285 388499953 /nfs/dbraw/zinc/49/99/53/388499953.db2.gz CWPXIRJMHNUOLI-UPJWGTAASA-N 1 3 239.407 1.399 20 0 BDADHO CN(C)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000397903894 388510536 /nfs/dbraw/zinc/51/05/36/388510536.db2.gz WEKMFCLXONTNLH-QWHCGFSZSA-N 1 3 237.391 1.297 20 0 BDADHO CN(C)C1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000397903894 388510538 /nfs/dbraw/zinc/51/05/38/388510538.db2.gz WEKMFCLXONTNLH-QWHCGFSZSA-N 1 3 237.391 1.297 20 0 BDADHO CN(C)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000397903889 388510959 /nfs/dbraw/zinc/51/09/59/388510959.db2.gz WEKMFCLXONTNLH-CHWSQXEVSA-N 1 3 237.391 1.297 20 0 BDADHO CN(C)C1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000397903889 388510960 /nfs/dbraw/zinc/51/09/60/388510960.db2.gz WEKMFCLXONTNLH-CHWSQXEVSA-N 1 3 237.391 1.297 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839678 388519192 /nfs/dbraw/zinc/51/91/92/388519192.db2.gz XGRVIBGERRLKSU-HZSPNIEDSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839678 388519195 /nfs/dbraw/zinc/51/91/95/388519195.db2.gz XGRVIBGERRLKSU-HZSPNIEDSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)C[C@@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000348051408 388526062 /nfs/dbraw/zinc/52/60/62/388526062.db2.gz ZZVBPWCHKXJPBQ-CYBMUJFWSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@](C)(CCO)[NH2+]C[C@@H]1CCCNC1 ZINC000220390211 388604447 /nfs/dbraw/zinc/60/44/47/388604447.db2.gz LAHGVJFWPFSMAO-NEPJUHHUSA-N 1 3 214.353 1.127 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCOC)[C@@H](C)C1 ZINC000245422673 388578102 /nfs/dbraw/zinc/57/81/02/388578102.db2.gz JAWICQBOHYXGHG-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCOC)[C@@H](C)C1 ZINC000245422673 388578104 /nfs/dbraw/zinc/57/81/04/388578104.db2.gz JAWICQBOHYXGHG-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000245452659 388580173 /nfs/dbraw/zinc/58/01/73/388580173.db2.gz QONSYUWEQSGOGJ-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000245452659 388580175 /nfs/dbraw/zinc/58/01/75/388580175.db2.gz QONSYUWEQSGOGJ-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO Cn1ccc(CNC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000085591140 388670325 /nfs/dbraw/zinc/67/03/25/388670325.db2.gz UOJCBXMWNKUPFS-LBPRGKRZSA-N 1 3 221.348 1.457 20 0 BDADHO Cn1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000085591140 388670329 /nfs/dbraw/zinc/67/03/29/388670329.db2.gz UOJCBXMWNKUPFS-LBPRGKRZSA-N 1 3 221.348 1.457 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)OC)[C@@H](C)C1 ZINC000248416166 388679327 /nfs/dbraw/zinc/67/93/27/388679327.db2.gz IOFRTIOQOZPPFE-XQQFMLRXSA-N 1 3 228.380 1.683 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)OC)[C@@H](C)C1 ZINC000248416166 388679329 /nfs/dbraw/zinc/67/93/29/388679329.db2.gz IOFRTIOQOZPPFE-XQQFMLRXSA-N 1 3 228.380 1.683 20 0 BDADHO COC1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530176842 388622199 /nfs/dbraw/zinc/62/21/99/388622199.db2.gz DCTWFGLGMJLHDU-BPCQOVAHSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CCN1C ZINC000154518474 388626279 /nfs/dbraw/zinc/62/62/79/388626279.db2.gz AJSCCWPJWGCKSV-AVGNSLFASA-N 1 3 225.380 1.153 20 0 BDADHO COCCC1CC[NH+](CC(C)(C)N)CC1 ZINC000530243440 388639036 /nfs/dbraw/zinc/63/90/36/388639036.db2.gz QYNIMILKMQSMNP-UHFFFAOYSA-N 1 3 214.353 1.472 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(C2CC2)C1 ZINC000251289299 388642717 /nfs/dbraw/zinc/64/27/17/388642717.db2.gz NMLNSYMOHIXTPH-OBJOEFQTSA-N 1 3 237.391 1.330 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)[C@@H](C)C1)C1CC1 ZINC000223057378 388648859 /nfs/dbraw/zinc/64/88/59/388648859.db2.gz YVOLLRASIUISTF-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000251271763 388746462 /nfs/dbraw/zinc/74/64/62/388746462.db2.gz LYHXPYPYOBLPQZ-QJPTWQEYSA-N 1 3 228.405 1.989 20 0 BDADHO CCN(CC)CCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248740171 388692199 /nfs/dbraw/zinc/69/21/99/388692199.db2.gz DECTWJYGMJTJDV-BTTYYORXSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CCC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248740171 388692200 /nfs/dbraw/zinc/69/22/00/388692200.db2.gz DECTWJYGMJTJDV-BTTYYORXSA-N 1 3 242.407 1.952 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNCC2=CCCOC2)C1 ZINC000126739600 388700262 /nfs/dbraw/zinc/70/02/62/388700262.db2.gz YHPIPTBYEPDXIH-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO CCC[N@H+]1CC[C@H](CNCC2=CCCOC2)C1 ZINC000126739600 388700264 /nfs/dbraw/zinc/70/02/64/388700264.db2.gz YHPIPTBYEPDXIH-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000126739600 388700267 /nfs/dbraw/zinc/70/02/67/388700267.db2.gz YHPIPTBYEPDXIH-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000249086423 388708283 /nfs/dbraw/zinc/70/82/83/388708283.db2.gz NGYUHBJVMORSSD-XDQVBPFNSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000249086423 388708286 /nfs/dbraw/zinc/70/82/86/388708286.db2.gz NGYUHBJVMORSSD-XDQVBPFNSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000249086423 388708289 /nfs/dbraw/zinc/70/82/89/388708289.db2.gz NGYUHBJVMORSSD-XDQVBPFNSA-N 1 3 238.375 1.364 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000249428411 388722068 /nfs/dbraw/zinc/72/20/68/388722068.db2.gz YOLRWPQHFYBJCG-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249428411 388722072 /nfs/dbraw/zinc/72/20/72/388722072.db2.gz YOLRWPQHFYBJCG-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249428411 388722075 /nfs/dbraw/zinc/72/20/75/388722075.db2.gz YOLRWPQHFYBJCG-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CSCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674015 388769976 /nfs/dbraw/zinc/76/99/76/388769976.db2.gz NSCSCYWATGKUSD-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO CSCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674015 388769980 /nfs/dbraw/zinc/76/99/80/388769980.db2.gz NSCSCYWATGKUSD-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO CCN1CCN(c2cc[nH+]c(C)c2)[C@@H](C)C1 ZINC000286225003 132214503 /nfs/dbraw/zinc/21/45/03/132214503.db2.gz DFJDIWYJASTTEU-LBPRGKRZSA-N 1 3 219.332 1.920 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)O[C@H]1C ZINC000566088196 388986514 /nfs/dbraw/zinc/98/65/14/388986514.db2.gz BXSGZLRJYNETCZ-SDDRHHMPSA-N 1 3 214.353 1.530 20 0 BDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000271890246 389024809 /nfs/dbraw/zinc/02/48/09/389024809.db2.gz RSUVGQHFFMNAGA-LBPRGKRZSA-N 1 3 231.343 1.994 20 0 BDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cccnc1 ZINC000271890246 389024812 /nfs/dbraw/zinc/02/48/12/389024812.db2.gz RSUVGQHFFMNAGA-LBPRGKRZSA-N 1 3 231.343 1.994 20 0 BDADHO CN1CC=C(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000271815746 389025974 /nfs/dbraw/zinc/02/59/74/389025974.db2.gz LWHLTHLVSMRULA-UHFFFAOYSA-N 1 3 205.305 1.366 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000274423378 389047489 /nfs/dbraw/zinc/04/74/89/389047489.db2.gz LWRMCQVZTNEZSZ-NXEZZACHSA-N 1 3 210.325 1.401 20 0 BDADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000261997216 533363904 /nfs/dbraw/zinc/36/39/04/533363904.db2.gz KYECFSVHPLATGM-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)[C@H]1CCCOC1 ZINC000352219653 134108751 /nfs/dbraw/zinc/10/87/51/134108751.db2.gz DYPNYUYURQFXKW-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)[C@H]1CCCOC1 ZINC000352219653 134108752 /nfs/dbraw/zinc/10/87/52/134108752.db2.gz DYPNYUYURQFXKW-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1CN(C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000336214850 134136005 /nfs/dbraw/zinc/13/60/05/134136005.db2.gz BKSPVNSYWITXMP-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H]1CN(C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000336214850 134136006 /nfs/dbraw/zinc/13/60/06/134136006.db2.gz BKSPVNSYWITXMP-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536635 134248123 /nfs/dbraw/zinc/24/81/23/134248123.db2.gz YUYHNMXRYUNXOX-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1cncs1 ZINC000219320990 134281277 /nfs/dbraw/zinc/28/12/77/134281277.db2.gz WWCNNLUWTOQSRA-JTQLQIEISA-N 1 3 243.376 1.372 20 0 BDADHO CC[C@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000219377556 134281557 /nfs/dbraw/zinc/28/15/57/134281557.db2.gz QTRHBJHFRCLFQJ-JHJVBQTASA-N 1 3 228.380 1.658 20 0 BDADHO CC(C)[N@H+](C[C@H](C)O)C[C@@H]1CCCNC1 ZINC000220372018 134306175 /nfs/dbraw/zinc/30/61/75/134306175.db2.gz ZEILZACDJMXSQA-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+](C[C@H](C)O)C[C@@H]1CCCNC1 ZINC000220372018 134306176 /nfs/dbraw/zinc/30/61/76/134306176.db2.gz ZEILZACDJMXSQA-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)N(C[C@H](C)O)C[C@@H]1CCC[NH2+]C1 ZINC000220372018 134306177 /nfs/dbraw/zinc/30/61/77/134306177.db2.gz ZEILZACDJMXSQA-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO CSCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000178642441 134312476 /nfs/dbraw/zinc/31/24/76/134312476.db2.gz KNHOPYAVEAHOOQ-RYUDHWBXSA-N 1 3 228.405 1.766 20 0 BDADHO CSCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000178642441 134312477 /nfs/dbraw/zinc/31/24/77/134312477.db2.gz KNHOPYAVEAHOOQ-RYUDHWBXSA-N 1 3 228.405 1.766 20 0 BDADHO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000226841675 134370002 /nfs/dbraw/zinc/37/00/02/134370002.db2.gz SDNGISNTJHIRKN-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO OCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000226841675 134370003 /nfs/dbraw/zinc/37/00/03/134370003.db2.gz SDNGISNTJHIRKN-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO CC1(C[NH2+]C2CC(C)(C)NC(C)(C)C2)COC1 ZINC000227518397 134382350 /nfs/dbraw/zinc/38/23/50/134382350.db2.gz DEEMVADAPWFUPM-UHFFFAOYSA-N 1 3 240.391 1.922 20 0 BDADHO CC1(CNC2CC(C)(C)[NH2+]C(C)(C)C2)COC1 ZINC000227518397 134382351 /nfs/dbraw/zinc/38/23/51/134382351.db2.gz DEEMVADAPWFUPM-UHFFFAOYSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000227601695 134387627 /nfs/dbraw/zinc/38/76/27/134387627.db2.gz MTROGMRTUGCPBV-GRYCIOLGSA-N 1 3 213.369 1.009 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000249758560 135044774 /nfs/dbraw/zinc/04/47/74/135044774.db2.gz VPIWQBAQYPIIRB-JHJVBQTASA-N 1 3 227.396 1.256 20 0 BDADHO COCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442167 135055075 /nfs/dbraw/zinc/05/50/75/135055075.db2.gz BCBUIKCBMWKLRF-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO COCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442167 135055076 /nfs/dbraw/zinc/05/50/76/135055076.db2.gz BCBUIKCBMWKLRF-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO COCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000250442167 135055077 /nfs/dbraw/zinc/05/50/77/135055077.db2.gz BCBUIKCBMWKLRF-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251214565 135065695 /nfs/dbraw/zinc/06/56/95/135065695.db2.gz LQGUNSNPUSZUJB-RFQIPJPRSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251214565 135065696 /nfs/dbraw/zinc/06/56/96/135065696.db2.gz LQGUNSNPUSZUJB-RFQIPJPRSA-N 1 3 238.375 1.506 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@H]3CCSC3)CC[N@@H+]2C1 ZINC000251420249 135069688 /nfs/dbraw/zinc/06/96/88/135069688.db2.gz SDIQOBDQBHHNPB-GRYCIOLGSA-N 1 3 226.389 1.708 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@H]3CCSC3)CC[N@H+]2C1 ZINC000251420249 135069689 /nfs/dbraw/zinc/06/96/89/135069689.db2.gz SDIQOBDQBHHNPB-GRYCIOLGSA-N 1 3 226.389 1.708 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCCO1 ZINC000086495946 135087152 /nfs/dbraw/zinc/08/71/52/135087152.db2.gz VUCBFOFLXBMSIT-UPJWGTAASA-N 1 3 226.364 1.676 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000252384988 135087788 /nfs/dbraw/zinc/08/77/88/135087788.db2.gz DORGJFZYOVKMBS-GBIKHYSHSA-N 1 3 236.363 1.536 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCO[C@H]1C ZINC000252691760 135094024 /nfs/dbraw/zinc/09/40/24/135094024.db2.gz YYTOYVZTUAUONB-OUAUKWLOSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252691602 135097234 /nfs/dbraw/zinc/09/72/34/135097234.db2.gz YMSOLVLADSQKEY-RVMXOQNASA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252691602 135097235 /nfs/dbraw/zinc/09/72/35/135097235.db2.gz YMSOLVLADSQKEY-RVMXOQNASA-N 1 3 224.348 1.380 20 0 BDADHO CCSCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000252688092 135097554 /nfs/dbraw/zinc/09/75/54/135097554.db2.gz NEFYHUHYLDXJSM-WDEREUQCSA-N 1 3 216.394 1.799 20 0 BDADHO COC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703250 135098062 /nfs/dbraw/zinc/09/80/62/135098062.db2.gz MDUIJXTUAGIJLC-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703250 135098064 /nfs/dbraw/zinc/09/80/64/135098064.db2.gz MDUIJXTUAGIJLC-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000252712748 135100934 /nfs/dbraw/zinc/10/09/34/135100934.db2.gz NGNASSOGARBSRM-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@]1(CN(C[C@@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871911 135112058 /nfs/dbraw/zinc/11/20/58/135112058.db2.gz OZWXSKINKUUBCX-GXTWGEPZSA-N 1 3 238.375 1.487 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253020460 135119412 /nfs/dbraw/zinc/11/94/12/135119412.db2.gz JSWWDOPBEFBJRN-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)OCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253266728 135125607 /nfs/dbraw/zinc/12/56/07/135125607.db2.gz XVGASSZFNNERDX-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000261529458 135155628 /nfs/dbraw/zinc/15/56/28/135155628.db2.gz SGJATRYICFSJCS-VWYCJHECSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCCSC1 ZINC000261529458 135155629 /nfs/dbraw/zinc/15/56/29/135155629.db2.gz SGJATRYICFSJCS-VWYCJHECSA-N 1 3 214.378 1.470 20 0 BDADHO CCSCCN[C@](C)(C[NH3+])C1CC1 ZINC000261530170 135157243 /nfs/dbraw/zinc/15/72/43/135157243.db2.gz XOTRHQBLKOTJQQ-SNVBAGLBSA-N 1 3 202.367 1.457 20 0 BDADHO C[N@H+](C[C@H]1CCSC1)C1CCNCC1 ZINC000261531442 135160025 /nfs/dbraw/zinc/16/00/25/135160025.db2.gz GNOXDRAGIIVTGI-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO C[N@@H+](C[C@H]1CCSC1)C1CCNCC1 ZINC000261531442 135160026 /nfs/dbraw/zinc/16/00/26/135160026.db2.gz GNOXDRAGIIVTGI-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO CN(C[C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000261531442 135160027 /nfs/dbraw/zinc/16/00/27/135160027.db2.gz GNOXDRAGIIVTGI-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO CO[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)C1(C)C ZINC000261532966 135163907 /nfs/dbraw/zinc/16/39/07/135163907.db2.gz DZUIBLWIQLLHOE-QJPTWQEYSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCCNCC2)C1(C)C ZINC000261532966 135163908 /nfs/dbraw/zinc/16/39/08/135163908.db2.gz DZUIBLWIQLLHOE-QJPTWQEYSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)COCC[N@@H+]1CCC[C@H](C)[C@H]1CN ZINC000261534097 135165949 /nfs/dbraw/zinc/16/59/49/135165949.db2.gz MZEBVXMZNIOXST-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)COCC[N@H+]1CCC[C@H](C)[C@H]1CN ZINC000261534097 135165950 /nfs/dbraw/zinc/16/59/50/135165950.db2.gz MZEBVXMZNIOXST-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)COCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261533901 135165974 /nfs/dbraw/zinc/16/59/74/135165974.db2.gz KYZHLJMLJQLVOZ-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1(C)C ZINC000261533894 135166009 /nfs/dbraw/zinc/16/60/09/135166009.db2.gz KXZGWWQGVJBKRS-FIQHERPVSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534523 135167806 /nfs/dbraw/zinc/16/78/06/135167806.db2.gz RRCUGPKUYSISFA-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000261535535 135169803 /nfs/dbraw/zinc/16/98/03/135169803.db2.gz OMAXGHYIUQOOGE-WDEREUQCSA-N 1 3 228.405 1.717 20 0 BDADHO CCOC(=O)C[C@@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261539615 135177763 /nfs/dbraw/zinc/17/77/63/135177763.db2.gz AMVGFWVXKXOWTB-NEPJUHHUSA-N 1 3 242.363 1.260 20 0 BDADHO CCOC(=O)C[C@@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000261539615 135177764 /nfs/dbraw/zinc/17/77/64/135177764.db2.gz AMVGFWVXKXOWTB-NEPJUHHUSA-N 1 3 242.363 1.260 20 0 BDADHO CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261539615 135177765 /nfs/dbraw/zinc/17/77/65/135177765.db2.gz AMVGFWVXKXOWTB-NEPJUHHUSA-N 1 3 242.363 1.260 20 0 BDADHO c1ccc(CCN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261542156 135182798 /nfs/dbraw/zinc/18/27/98/135182798.db2.gz BWNDORPPFRHSFD-GJZGRUSLSA-N 1 3 230.355 1.770 20 0 BDADHO C[C@H](c1ccccn1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544352 135185247 /nfs/dbraw/zinc/18/52/47/135185247.db2.gz DTTFGHRVXBJJHE-MROQNXINSA-N 1 3 231.343 1.812 20 0 BDADHO C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000261549709 135188676 /nfs/dbraw/zinc/18/86/76/135188676.db2.gz PBUYGMYNDIEHLE-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CC[N@H+](C[C@H]2CCCNC2)CCS1 ZINC000261549709 135188677 /nfs/dbraw/zinc/18/86/77/135188677.db2.gz PBUYGMYNDIEHLE-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CC[N@@H+](C[C@H]2CCCNC2)CCS1 ZINC000261549709 135188678 /nfs/dbraw/zinc/18/86/78/135188678.db2.gz PBUYGMYNDIEHLE-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000084216309 135192052 /nfs/dbraw/zinc/19/20/52/135192052.db2.gz OODNOXPNNFINRG-RWMBFGLXSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H]1CCSCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261557879 135198671 /nfs/dbraw/zinc/19/86/71/135198671.db2.gz XTXLFYRUZHDCGQ-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CCSCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261557879 135198672 /nfs/dbraw/zinc/19/86/72/135198672.db2.gz XTXLFYRUZHDCGQ-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CCSCCN1C[C@@H]1CCC[NH2+]C1 ZINC000261557879 135198674 /nfs/dbraw/zinc/19/86/74/135198674.db2.gz XTXLFYRUZHDCGQ-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO Cc1cnn(CCN[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000261559278 135200555 /nfs/dbraw/zinc/20/05/55/135200555.db2.gz TUCFIESTVSKWLT-LBPRGKRZSA-N 1 3 236.363 1.169 20 0 BDADHO Cc1cnn(CC[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000261559278 135200557 /nfs/dbraw/zinc/20/05/57/135200557.db2.gz TUCFIESTVSKWLT-LBPRGKRZSA-N 1 3 236.363 1.169 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000261562013 135203809 /nfs/dbraw/zinc/20/38/09/135203809.db2.gz VXOBSVIHGCDIPA-ZDUSSCGKSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CCC2(C1)CCOCC2 ZINC000261562013 135203810 /nfs/dbraw/zinc/20/38/10/135203810.db2.gz VXOBSVIHGCDIPA-ZDUSSCGKSA-N 1 3 238.375 1.489 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000261587640 135228200 /nfs/dbraw/zinc/22/82/00/135228200.db2.gz RWLZTKUCEFFHQC-RVMXOQNASA-N 1 3 226.364 1.255 20 0 BDADHO CC(C)([NH3+])CN[C@H]1CCc2ccccc2C1 ZINC000261587653 135228402 /nfs/dbraw/zinc/22/84/02/135228402.db2.gz RXOHAPUIKWALKT-ZDUSSCGKSA-N 1 3 218.344 1.871 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261592025 135232988 /nfs/dbraw/zinc/23/29/88/135232988.db2.gz VRJOJFSEFVCFKC-QWHCGFSZSA-N 1 3 226.364 1.520 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261547811 135241181 /nfs/dbraw/zinc/24/11/81/135241181.db2.gz IOYNKAGDZPKHKC-OLZOCXBDSA-N 1 3 236.363 1.299 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261710727 135247264 /nfs/dbraw/zinc/24/72/64/135247264.db2.gz PMMUIMISVRYBDY-DGCLKSJQSA-N 1 3 233.359 1.828 20 0 BDADHO Cc1cc(CNC[C@@H]2CC[NH2+][C@@H](C)C2)on1 ZINC000261728672 135248214 /nfs/dbraw/zinc/24/82/14/135248214.db2.gz ODOKIPLFGAXXRU-GXSJLCMTSA-N 1 3 223.320 1.461 20 0 BDADHO COC(=O)[C@]1(C)CCCN1CC1CC[NH2+]CC1 ZINC000261835703 135256198 /nfs/dbraw/zinc/25/61/98/135256198.db2.gz JJSIECQNWOHUCO-ZDUSSCGKSA-N 1 3 240.347 1.014 20 0 BDADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261831535 135256419 /nfs/dbraw/zinc/25/64/19/135256419.db2.gz JCDBMTOAFZEQDD-AAVRWANBSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261831535 135256421 /nfs/dbraw/zinc/25/64/21/135256421.db2.gz JCDBMTOAFZEQDD-AAVRWANBSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@]1(CN(C[C@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871918 135258755 /nfs/dbraw/zinc/25/87/55/135258755.db2.gz OZWXSKINKUUBCX-TZMCWYRMSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@H](CNC1=[NH+]CCCN1)N1CCCC[C@H]1C ZINC000261872601 135259190 /nfs/dbraw/zinc/25/91/90/135259190.db2.gz PDCCTNXEGVWDJD-VXGBXAGGSA-N 1 3 238.379 1.188 20 0 BDADHO COC(=O)C[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261879620 135259400 /nfs/dbraw/zinc/25/94/00/135259400.db2.gz QREZMKGUZROSEW-AAEUAGOBSA-N 1 3 240.347 1.014 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H](C2CC2)C1 ZINC000262121905 135280925 /nfs/dbraw/zinc/28/09/25/135280925.db2.gz MDJBJVZKYSSVIB-REWJHTLYSA-N 1 3 238.375 1.125 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000262121905 135280927 /nfs/dbraw/zinc/28/09/27/135280927.db2.gz MDJBJVZKYSSVIB-REWJHTLYSA-N 1 3 238.375 1.125 20 0 BDADHO c1ccc2c(c1)C[C@@H](N[C@@H]1CCC[NH2+]CC1)CO2 ZINC000262252898 135287963 /nfs/dbraw/zinc/28/79/63/135287963.db2.gz QEWARIQDFROCFE-ZIAGYGMSSA-N 1 3 246.354 1.722 20 0 BDADHO CCc1nc(CNCC2CC[NH2+]CC2)cs1 ZINC000262303395 135292561 /nfs/dbraw/zinc/29/25/61/135292561.db2.gz XUISWYJWBJJBPM-UHFFFAOYSA-N 1 3 239.388 1.795 20 0 BDADHO CC[C@H](C(=O)NCCC[NH+](C)C)N(CC)CC ZINC000342685567 135305380 /nfs/dbraw/zinc/30/53/80/135305380.db2.gz YPNVANLBMDAVBA-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H]([NH2+]C(C)(C)CNC(=O)CN)c1ccccc1 ZINC000262638699 135310530 /nfs/dbraw/zinc/31/05/30/135310530.db2.gz JHQHITUAYMSLFJ-NSHDSACASA-N 1 3 249.358 1.191 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000230687845 135551155 /nfs/dbraw/zinc/55/11/55/135551155.db2.gz AHAILEMNOCMUBN-UTUOFQBUSA-N 1 3 214.353 1.255 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1CCn1cccn1 ZINC000082594408 397965546 /nfs/dbraw/zinc/96/55/46/397965546.db2.gz FYGDKENNMBXWDC-GFCCVEGCSA-N 1 3 222.336 1.086 20 0 BDADHO [NH3+]CCCN1CC[C@H](Nc2ccccc2)C1 ZINC000414689081 398018912 /nfs/dbraw/zinc/01/89/12/398018912.db2.gz FOCJDYAKEQMXSO-ZDUSSCGKSA-N 1 3 219.332 1.522 20 0 BDADHO C[NH2+]CCCN[C@H](COC)CC(C)C ZINC000414857873 398065989 /nfs/dbraw/zinc/06/59/89/398065989.db2.gz GJKUFSFANLKXIN-NSHDSACASA-N 1 3 202.342 1.247 20 0 BDADHO CNCCC[NH2+][C@H](COC)CC(C)C ZINC000414857873 398065993 /nfs/dbraw/zinc/06/59/93/398065993.db2.gz GJKUFSFANLKXIN-NSHDSACASA-N 1 3 202.342 1.247 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CNC[C@@H]1CCCOC1 ZINC000414923804 398100354 /nfs/dbraw/zinc/10/03/54/398100354.db2.gz GBJPJNBROVCTOY-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO CCC(O)(CC)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245907607 398119560 /nfs/dbraw/zinc/11/95/60/398119560.db2.gz BKWOOHWOWJEPAX-STQMWFEESA-N 1 3 240.391 1.754 20 0 BDADHO CCC(O)(CC)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245907607 398119561 /nfs/dbraw/zinc/11/95/61/398119561.db2.gz BKWOOHWOWJEPAX-STQMWFEESA-N 1 3 240.391 1.754 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000398240931 322867082 /nfs/dbraw/zinc/86/70/82/322867082.db2.gz WXGCJTBLOKTHRB-ZJUUUORDSA-N 1 3 236.306 1.723 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H](C)CC1 ZINC000393873848 487587163 /nfs/dbraw/zinc/58/71/63/487587163.db2.gz CAJYJAFICOUKEV-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C)CC1 ZINC000393873848 487587167 /nfs/dbraw/zinc/58/71/67/487587167.db2.gz CAJYJAFICOUKEV-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070356914 487589960 /nfs/dbraw/zinc/58/99/60/487589960.db2.gz RQPXJFHZZYVFAI-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222994878 487603105 /nfs/dbraw/zinc/60/31/05/487603105.db2.gz PQTNUWWZXNPSCJ-GMTAPVOTSA-N 1 3 200.326 1.128 20 0 BDADHO Cc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ncn1 ZINC000662245725 409537800 /nfs/dbraw/zinc/53/78/00/409537800.db2.gz NLMOOFBRZPWTCX-LLVKDONJSA-N 1 3 234.347 1.344 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@H](CN)C1)C1CCCCC1 ZINC000662245204 409538165 /nfs/dbraw/zinc/53/81/65/409538165.db2.gz IUFBYQCEIWSFQB-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@H](CN)C1)C1CCCCC1 ZINC000662245204 409538172 /nfs/dbraw/zinc/53/81/72/409538172.db2.gz IUFBYQCEIWSFQB-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](CN1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662245204 409538180 /nfs/dbraw/zinc/53/81/80/409538180.db2.gz IUFBYQCEIWSFQB-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO Cc1cc(CN2CCC([C@H](C)[NH3+])CC2)ncn1 ZINC000662245726 409539333 /nfs/dbraw/zinc/53/93/33/409539333.db2.gz NLMOOFBRZPWTCX-NSHDSACASA-N 1 3 234.347 1.344 20 0 BDADHO [NH3+]CC[C@H]1CCCN(CCO[C@H]2CC2(F)F)C1 ZINC000662270689 409575332 /nfs/dbraw/zinc/57/53/32/409575332.db2.gz CAUWONBMRWMYCK-MNOVXSKESA-N 1 3 248.317 1.471 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662272244 409579269 /nfs/dbraw/zinc/57/92/69/409579269.db2.gz CWZPLHDVLLQUDN-LXTVHRRPSA-N 1 3 249.402 1.012 20 0 BDADHO CN(CC[C@H]1CCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000662276526 409588810 /nfs/dbraw/zinc/58/88/10/409588810.db2.gz JTKPAWSVUGXLLS-KGLIPLIRSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@H+](CC[C@H]1CCc2ccccc21)C[C@@H](O)CN ZINC000662276526 409588816 /nfs/dbraw/zinc/58/88/16/409588816.db2.gz JTKPAWSVUGXLLS-KGLIPLIRSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@@H](O)CN ZINC000662276526 409588824 /nfs/dbraw/zinc/58/88/24/409588824.db2.gz JTKPAWSVUGXLLS-KGLIPLIRSA-N 1 3 248.370 1.358 20 0 BDADHO OCC1(NCCCC2CCC2)CC[NH2+]CC1 ZINC000662283273 409610244 /nfs/dbraw/zinc/61/02/44/409610244.db2.gz GSMWQQXCBUFUKT-UHFFFAOYSA-N 1 3 226.364 1.271 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C)C1 ZINC000308980721 410191734 /nfs/dbraw/zinc/19/17/34/410191734.db2.gz DUIQPRKADBWTPC-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](C)C1 ZINC000308980721 410191737 /nfs/dbraw/zinc/19/17/37/410191737.db2.gz DUIQPRKADBWTPC-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709776 410339350 /nfs/dbraw/zinc/33/93/50/410339350.db2.gz PYNIRNBBBGPSTE-VOAKCMCISA-N 1 3 208.349 1.703 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709776 410339355 /nfs/dbraw/zinc/33/93/55/410339355.db2.gz PYNIRNBBBGPSTE-VOAKCMCISA-N 1 3 208.349 1.703 20 0 BDADHO c1ccc2c(c1)C[C@H](N[C@H]1CCC[NH2+]CC1)CN2 ZINC000650715171 410351507 /nfs/dbraw/zinc/35/15/07/410351507.db2.gz SLZQPIDISWNZEP-KBPBESRZSA-N 1 3 245.370 1.755 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@H]1CCO[C@@H]1C ZINC000650719470 410358804 /nfs/dbraw/zinc/35/88/04/410358804.db2.gz RCAYVAWJYSVVSB-RISCZKNCSA-N 1 3 234.343 1.673 20 0 BDADHO FC1(F)C[C@]12CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000650725326 410362859 /nfs/dbraw/zinc/36/28/59/410362859.db2.gz YJTIKALRTMHOKO-QWRGUYRKSA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@]12CC[N@H+](C[C@H]1CCCNC1)C2 ZINC000650725326 410362860 /nfs/dbraw/zinc/36/28/60/410362860.db2.gz YJTIKALRTMHOKO-QWRGUYRKSA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@]12CC[N@@H+](C[C@H]1CCCNC1)C2 ZINC000650725326 410362867 /nfs/dbraw/zinc/36/28/67/410362867.db2.gz YJTIKALRTMHOKO-QWRGUYRKSA-N 1 3 230.302 1.717 20 0 BDADHO CC[C@@H](NCCC1(C[NH3+])CC1)c1nccn1C ZINC000650745343 410383171 /nfs/dbraw/zinc/38/31/71/410383171.db2.gz DSVGCYNSNOPPKW-LLVKDONJSA-N 1 3 236.363 1.590 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccccn1 ZINC000650745637 410383325 /nfs/dbraw/zinc/38/33/25/410383325.db2.gz KWYRVYMAWCEPJG-LLVKDONJSA-N 1 3 219.332 1.861 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000309282705 410713517 /nfs/dbraw/zinc/71/35/17/410713517.db2.gz UEUZFLJYBRSRHB-NWDGAFQWSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000309282705 410713519 /nfs/dbraw/zinc/71/35/19/410713519.db2.gz UEUZFLJYBRSRHB-NWDGAFQWSA-N 1 3 228.380 1.419 20 0 BDADHO COC[C@H](CC[NH2+][C@H]1CCNCC[C@H]1C)OC ZINC000665234779 410727255 /nfs/dbraw/zinc/72/72/55/410727255.db2.gz KBBMURKPGUYZQS-AGIUHOORSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@@H](NC[C@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265034 410736522 /nfs/dbraw/zinc/73/65/22/410736522.db2.gz OCRIBDGTMVFGCU-CKYFFXLPSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)C1CNC1 ZINC000665265034 410736526 /nfs/dbraw/zinc/73/65/26/410736526.db2.gz OCRIBDGTMVFGCU-CKYFFXLPSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)(F)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000665261366 410737087 /nfs/dbraw/zinc/73/70/87/410737087.db2.gz ACEJUMHTLKSBRZ-ZJUUUORDSA-N 1 3 202.317 1.984 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2CCCC[C@H]2CN)n1 ZINC000665274075 410743524 /nfs/dbraw/zinc/74/35/24/410743524.db2.gz JHADMQWUSDVKTB-JSGCOSHPSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cncc(CCN[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000665274075 410743534 /nfs/dbraw/zinc/74/35/34/410743534.db2.gz JHADMQWUSDVKTB-JSGCOSHPSA-N 1 3 248.374 1.435 20 0 BDADHO CCCN1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000665273838 410743791 /nfs/dbraw/zinc/74/37/91/410743791.db2.gz FLIVTRNSRDDYQT-SRVKXCTJSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H](C1CC1)N(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000393735461 410757624 /nfs/dbraw/zinc/75/76/24/410757624.db2.gz BFOYMYFJJKCXTQ-WDEREUQCSA-N 1 3 208.349 1.859 20 0 BDADHO CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308950415 410828226 /nfs/dbraw/zinc/82/82/26/410828226.db2.gz XNBXLNSVWQYNJA-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO CCOCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308950415 410828232 /nfs/dbraw/zinc/82/82/32/410828232.db2.gz XNBXLNSVWQYNJA-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO CCOCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308950415 410828234 /nfs/dbraw/zinc/82/82/34/410828234.db2.gz XNBXLNSVWQYNJA-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO CCC(C)(C)N1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000655494537 410873854 /nfs/dbraw/zinc/87/38/54/410873854.db2.gz KKYUSPDFYLYRDM-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000300915300 167222185 /nfs/dbraw/zinc/22/21/85/167222185.db2.gz XYPPYOPJCLCCIJ-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH+](CC)Cc1cccc(CNC(=O)CN)c1 ZINC000236905425 169791006 /nfs/dbraw/zinc/79/10/06/169791006.db2.gz ACGZPYAXCIUTQA-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680194 410933699 /nfs/dbraw/zinc/93/36/99/410933699.db2.gz ZWEYAFPANNEDCE-DGCLKSJQSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@@H]1COCC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000301019654 411129605 /nfs/dbraw/zinc/12/96/05/411129605.db2.gz NHIMHXJAXVEVAK-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[N@H+](CCN)CCCc1c(F)cccc1F ZINC000655939661 411160507 /nfs/dbraw/zinc/16/05/07/411160507.db2.gz IYNNYFALGRQTPP-UHFFFAOYSA-N 1 3 228.286 1.788 20 0 BDADHO C[N@@H+](CCN)CCCc1c(F)cccc1F ZINC000655939661 411160508 /nfs/dbraw/zinc/16/05/08/411160508.db2.gz IYNNYFALGRQTPP-UHFFFAOYSA-N 1 3 228.286 1.788 20 0 BDADHO CC(C)C[NH2+]CCCCN1CCN(C)CC1 ZINC000047892524 411168361 /nfs/dbraw/zinc/16/83/61/411168361.db2.gz PQVKDLPEZLWGRG-UHFFFAOYSA-N 1 3 227.396 1.260 20 0 BDADHO C[N@H+]1CC=C(CN[C@@H]2CCCn3nccc32)CC1 ZINC000657938986 411174730 /nfs/dbraw/zinc/17/47/30/411174730.db2.gz SJXZGIJYAJNQBC-CYBMUJFWSA-N 1 3 246.358 1.570 20 0 BDADHO C[N@@H+]1CC=C(CN[C@@H]2CCCn3nccc32)CC1 ZINC000657938986 411174731 /nfs/dbraw/zinc/17/47/31/411174731.db2.gz SJXZGIJYAJNQBC-CYBMUJFWSA-N 1 3 246.358 1.570 20 0 BDADHO CCn1ccnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401087743 411176949 /nfs/dbraw/zinc/17/69/49/411176949.db2.gz SBMAOSJQRSNPGX-RWMBFGLXSA-N 1 3 248.374 1.381 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000401136194 411178015 /nfs/dbraw/zinc/17/80/15/411178015.db2.gz QRUOHPOQWSRJBX-IJLUTSLNSA-N 1 3 235.331 1.461 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656193229 411199935 /nfs/dbraw/zinc/19/99/35/411199935.db2.gz ALBXDCPCBDYGIJ-YRGRVCCFSA-N 1 3 233.359 1.872 20 0 BDADHO COCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000656200298 411204981 /nfs/dbraw/zinc/20/49/81/411204981.db2.gz LCZWVSOWULDRMM-NEPJUHHUSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H]1CCCN(CCOCC2CC2)[C@@H]1CC[NH3+] ZINC000652355104 411215252 /nfs/dbraw/zinc/21/52/52/411215252.db2.gz PKAQYEDWQSTPDZ-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CS[C@H](C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422940538 411235255 /nfs/dbraw/zinc/23/52/55/411235255.db2.gz SYYPEWVCCVDVSY-OUAUKWLOSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)C1CNC1 ZINC000423173206 411236537 /nfs/dbraw/zinc/23/65/37/411236537.db2.gz XLJHKANPBTZJRC-OLZOCXBDSA-N 1 3 247.386 1.990 20 0 BDADHO CC[C@H]1CN(CCCC2CC[NH2+]CC2)CCO1 ZINC000050952671 411269794 /nfs/dbraw/zinc/26/97/94/411269794.db2.gz PUGHFNVCKJCEAK-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC3(F)CC3)C[C@H]21 ZINC000309420157 411306926 /nfs/dbraw/zinc/30/69/26/411306926.db2.gz XUMCPRMISLXCHB-GMTAPVOTSA-N 1 3 212.312 1.548 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@H](O)C2)CC1 ZINC000658351132 411353404 /nfs/dbraw/zinc/35/34/04/411353404.db2.gz TUJGASAXFLVQQY-HAQNSBGRSA-N 1 3 226.364 1.362 20 0 BDADHO CC(C)(C)[NH+]1CCC(NC2CC(CO)C2)CC1 ZINC000658352854 411356827 /nfs/dbraw/zinc/35/68/27/411356827.db2.gz ZKFDLIJAGXFWED-UHFFFAOYSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](C[NH2+]C1CCNCC1)c1ccccn1 ZINC000656783322 411360191 /nfs/dbraw/zinc/36/01/91/411360191.db2.gz PCXGRKYGAOLKAH-LLVKDONJSA-N 1 3 219.332 1.527 20 0 BDADHO C[C@H](CNC1CC[NH2+]CC1)c1ccccn1 ZINC000656783322 411360194 /nfs/dbraw/zinc/36/01/94/411360194.db2.gz PCXGRKYGAOLKAH-LLVKDONJSA-N 1 3 219.332 1.527 20 0 BDADHO c1cc([C@@H]2CNCCO2)ccc1N[C@@H]1CC[NH2+]C1 ZINC000656793256 411372070 /nfs/dbraw/zinc/37/20/70/411372070.db2.gz SBMXXVUNSXSABO-KGLIPLIRSA-N 1 3 247.342 1.121 20 0 BDADHO CC1(C)[C@H](O)CCN1CCC[NH+]1CCCCC1 ZINC000361402227 168007184 /nfs/dbraw/zinc/00/71/84/168007184.db2.gz HGDHDCQOHASCDD-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CC1CCC([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000334193467 168162675 /nfs/dbraw/zinc/16/26/75/168162675.db2.gz KRQRVRYPZAUWBY-UHFFFAOYSA-N 1 3 240.391 1.611 20 0 BDADHO C([C@H]1CCOC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000216280853 411389494 /nfs/dbraw/zinc/38/94/94/411389494.db2.gz NZGKLXVHEHVFJR-RDBSUJKOSA-N 1 3 238.375 1.487 20 0 BDADHO CCOCCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404370281 411392676 /nfs/dbraw/zinc/39/26/76/411392676.db2.gz IRFZZBCRKQBKQG-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO CCOCCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404370281 411392680 /nfs/dbraw/zinc/39/26/80/411392680.db2.gz IRFZZBCRKQBKQG-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO CCC[C@H]1CCCN(C[C@H](O)C[N@H+](C)CC)C1 ZINC000653568605 411424604 /nfs/dbraw/zinc/42/46/04/411424604.db2.gz DVFSTWWPYWAKBO-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@H]1CCCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653568605 411424606 /nfs/dbraw/zinc/42/46/06/411424606.db2.gz DVFSTWWPYWAKBO-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000405846839 411443356 /nfs/dbraw/zinc/44/33/56/411443356.db2.gz HXUPCDFBPDAEFE-IJLUTSLNSA-N 1 3 244.404 1.035 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000405846839 411443359 /nfs/dbraw/zinc/44/33/59/411443359.db2.gz HXUPCDFBPDAEFE-IJLUTSLNSA-N 1 3 244.404 1.035 20 0 BDADHO CCO[C@@H]1CN(C[C@H]2CCSC2)C[C@H]1C[NH3+] ZINC000405846839 411443364 /nfs/dbraw/zinc/44/33/64/411443364.db2.gz HXUPCDFBPDAEFE-IJLUTSLNSA-N 1 3 244.404 1.035 20 0 BDADHO CC[C@@H]1C[C@H](N[C@H](C)CC[NH+](C)C)CO1 ZINC000657334425 411463936 /nfs/dbraw/zinc/46/39/36/411463936.db2.gz ABURESFQPAFJEK-GRYCIOLGSA-N 1 3 214.353 1.484 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337180 411472234 /nfs/dbraw/zinc/47/22/34/411472234.db2.gz LKPCZMHTFPYVSJ-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337180 411472237 /nfs/dbraw/zinc/47/22/37/411472237.db2.gz LKPCZMHTFPYVSJ-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000659850903 411477377 /nfs/dbraw/zinc/47/73/77/411477377.db2.gz WONXYAVVUSYQHF-HZSPNIEDSA-N 1 3 238.375 1.343 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415161 411489021 /nfs/dbraw/zinc/48/90/21/411489021.db2.gz ALDRBSOLWOIQSS-STQMWFEESA-N 1 3 240.391 1.970 20 0 BDADHO CN(C)[C@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415161 411489023 /nfs/dbraw/zinc/48/90/23/411489023.db2.gz ALDRBSOLWOIQSS-STQMWFEESA-N 1 3 240.391 1.970 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCOC1)C2 ZINC000309474480 411497868 /nfs/dbraw/zinc/49/78/68/411497868.db2.gz UZVPBOPDRGVRCP-AGIUHOORSA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCOC1)C2 ZINC000309474480 411497871 /nfs/dbraw/zinc/49/78/71/411497871.db2.gz UZVPBOPDRGVRCP-AGIUHOORSA-N 1 3 224.348 1.084 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803877 411518609 /nfs/dbraw/zinc/51/86/09/411518609.db2.gz GWFRJLSBNHOUFF-NDBYEHHHSA-N 1 3 248.374 1.819 20 0 BDADHO Cc1c[nH]nc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824790 411526734 /nfs/dbraw/zinc/52/67/34/411526734.db2.gz PSVDWHCAGVVVKX-PHIMTYICSA-N 1 3 222.336 1.148 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000309958763 170007963 /nfs/dbraw/zinc/00/79/63/170007963.db2.gz JXVRDEBPHZWFLC-LBPRGKRZSA-N 1 3 228.380 1.590 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCc2cnccn2)[C@H](C)C1 ZINC000341887062 170011735 /nfs/dbraw/zinc/01/17/35/170011735.db2.gz KEFQGJDNPRKXLA-TZMCWYRMSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCc2cnccn2)[C@H](C)C1 ZINC000341887062 170011736 /nfs/dbraw/zinc/01/17/36/170011736.db2.gz KEFQGJDNPRKXLA-TZMCWYRMSA-N 1 3 248.374 1.339 20 0 BDADHO CCN1CC[C@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000037484178 170015240 /nfs/dbraw/zinc/01/52/40/170015240.db2.gz RJRLWDIKSXCHEW-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360412254 170016970 /nfs/dbraw/zinc/01/69/70/170016970.db2.gz GAANYNLLNBBEQI-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO CC[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC000053658982 170111426 /nfs/dbraw/zinc/11/14/26/170111426.db2.gz UZHHBQSKMVSBHV-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000124777232 170330017 /nfs/dbraw/zinc/33/00/17/170330017.db2.gz KSEZDVZKHZGETA-RJZJGCCBSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000124777232 170330019 /nfs/dbraw/zinc/33/00/19/170330019.db2.gz KSEZDVZKHZGETA-RJZJGCCBSA-N 1 3 238.375 1.770 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@H+](CCn1ccnc1)C2 ZINC000660656862 411613847 /nfs/dbraw/zinc/61/38/47/411613847.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@@H+](CCn1ccnc1)C2 ZINC000660656862 411613849 /nfs/dbraw/zinc/61/38/49/411613849.db2.gz AHBDQCLMFNJUNH-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCCO)C2 ZINC000660658322 411614121 /nfs/dbraw/zinc/61/41/21/411614121.db2.gz DVMAVOFNIMIOMD-CYBMUJFWSA-N 1 3 226.364 1.177 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCCO)C2 ZINC000660658322 411614122 /nfs/dbraw/zinc/61/41/22/411614122.db2.gz DVMAVOFNIMIOMD-CYBMUJFWSA-N 1 3 226.364 1.177 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOCCF)[C@H](C)C1 ZINC000663463935 411664764 /nfs/dbraw/zinc/66/47/64/411664764.db2.gz OSTXWSXEUVDZGN-VXGBXAGGSA-N 1 3 232.343 1.292 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOCCF)[C@H](C)C1 ZINC000663463935 411664768 /nfs/dbraw/zinc/66/47/68/411664768.db2.gz OSTXWSXEUVDZGN-VXGBXAGGSA-N 1 3 232.343 1.292 20 0 BDADHO C[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497319 411679536 /nfs/dbraw/zinc/67/95/36/411679536.db2.gz DQZCBHCEGQCUHQ-GMKTYKIGSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497319 411679538 /nfs/dbraw/zinc/67/95/38/411679538.db2.gz DQZCBHCEGQCUHQ-GMKTYKIGSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCCSC1 ZINC000663498687 411680669 /nfs/dbraw/zinc/68/06/69/411680669.db2.gz DAYVCADQXZPUIL-WDEREUQCSA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@H](COC)NCC[C@@H]([NH3+])C(C)C ZINC000663501662 411686315 /nfs/dbraw/zinc/68/63/15/411686315.db2.gz BEEAZZMPZYVFPQ-GHMZBOCLSA-N 1 3 202.342 1.374 20 0 BDADHO C[NH2+]C[C@@H](C)NC1CCC(OC)CC1 ZINC000663514929 411697665 /nfs/dbraw/zinc/69/76/65/411697665.db2.gz WNHCAZNTEOOCFC-KPPDAEKUSA-N 1 3 200.326 1.142 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CCF)C1 ZINC000661690566 411832787 /nfs/dbraw/zinc/83/27/87/411832787.db2.gz RQWQTWFMACCHSY-STQMWFEESA-N 1 3 246.370 1.371 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CCF)C1 ZINC000661690566 411832790 /nfs/dbraw/zinc/83/27/90/411832790.db2.gz RQWQTWFMACCHSY-STQMWFEESA-N 1 3 246.370 1.371 20 0 BDADHO CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336675550 170772708 /nfs/dbraw/zinc/77/27/08/170772708.db2.gz BLGWDHVWHRUMKX-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661831615 411895011 /nfs/dbraw/zinc/89/50/11/411895011.db2.gz PNQNALSADURFHQ-FRRDWIJNSA-N 1 3 238.375 1.364 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000661831615 411895017 /nfs/dbraw/zinc/89/50/17/411895017.db2.gz PNQNALSADURFHQ-FRRDWIJNSA-N 1 3 238.375 1.364 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000661831615 411895022 /nfs/dbraw/zinc/89/50/22/411895022.db2.gz PNQNALSADURFHQ-FRRDWIJNSA-N 1 3 238.375 1.364 20 0 BDADHO CC[C@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152700 412009733 /nfs/dbraw/zinc/00/97/33/412009733.db2.gz XVSRAHBGBLTJPG-AAEUAGOBSA-N 1 3 226.364 1.316 20 0 BDADHO CC[C@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152700 412009735 /nfs/dbraw/zinc/00/97/35/412009735.db2.gz XVSRAHBGBLTJPG-AAEUAGOBSA-N 1 3 226.364 1.316 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)CC(C)C ZINC000220043803 412029523 /nfs/dbraw/zinc/02/95/23/412029523.db2.gz NCHATSLYTYTWDX-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)CC(C)C ZINC000220043803 412029526 /nfs/dbraw/zinc/02/95/26/412029526.db2.gz NCHATSLYTYTWDX-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO [NH3+]CC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000662234213 412031808 /nfs/dbraw/zinc/03/18/08/412031808.db2.gz JXNKVONVDKCVNG-SNVBAGLBSA-N 1 3 234.290 1.081 20 0 BDADHO CO[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)C1CCCC1 ZINC000662244928 412041391 /nfs/dbraw/zinc/04/13/91/412041391.db2.gz PQKDDNWQQSLRBX-KWCYVHTRSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@@H](CN(C)CCC[NH3+])C1CCCCC1 ZINC000662244670 412041827 /nfs/dbraw/zinc/04/18/27/412041827.db2.gz JLSLXQBZIGFICQ-ZDUSSCGKSA-N 1 3 228.380 1.862 20 0 BDADHO CNC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246241 412043217 /nfs/dbraw/zinc/04/32/17/412043217.db2.gz RSURAQHYLQSMEO-YVECIDJPSA-N 1 3 208.349 1.716 20 0 BDADHO CNC[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246241 412043221 /nfs/dbraw/zinc/04/32/21/412043221.db2.gz RSURAQHYLQSMEO-YVECIDJPSA-N 1 3 208.349 1.716 20 0 BDADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249402 412046395 /nfs/dbraw/zinc/04/63/95/412046395.db2.gz MDJWWBMLZNMSSF-VXGBXAGGSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249402 412046396 /nfs/dbraw/zinc/04/63/96/412046396.db2.gz MDJWWBMLZNMSSF-VXGBXAGGSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H](O)CCN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255721 412051526 /nfs/dbraw/zinc/05/15/26/412051526.db2.gz QZDDKVJPNCGIFC-GFCCVEGCSA-N 1 3 248.370 1.535 20 0 BDADHO CC[C@@H](C)C[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258858 412053049 /nfs/dbraw/zinc/05/30/49/412053049.db2.gz MWMPVPJOELXIFE-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H](C)C[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258858 412053051 /nfs/dbraw/zinc/05/30/51/412053051.db2.gz MWMPVPJOELXIFE-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H](C[NH2+]CC1(N)CCC1)c1ccccc1 ZINC000662264415 412056050 /nfs/dbraw/zinc/05/60/50/412056050.db2.gz CWJBFIUFFYVQSD-ZDUSSCGKSA-N 1 3 234.343 1.845 20 0 BDADHO Cc1nocc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662274182 412065359 /nfs/dbraw/zinc/06/53/59/412065359.db2.gz FRIGSJGWLJUDAZ-AWEZNQCLSA-N 1 3 249.358 1.947 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N)C2)CCO1 ZINC000346083260 171128369 /nfs/dbraw/zinc/12/83/69/171128369.db2.gz QSUKYNCTVXFONZ-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N)C2)CCO1 ZINC000346083260 171128371 /nfs/dbraw/zinc/12/83/71/171128371.db2.gz QSUKYNCTVXFONZ-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NCCO[C@H]1CC1(F)F ZINC000662277908 412069558 /nfs/dbraw/zinc/06/95/58/412069558.db2.gz TWUKGNZEIPJMCX-IUCAKERBSA-N 1 3 236.306 1.374 20 0 BDADHO CO[C@H](CN[C@@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277786 412069589 /nfs/dbraw/zinc/06/95/89/412069589.db2.gz RYFZZJPHNOOACB-NEPJUHHUSA-N 1 3 228.380 1.765 20 0 BDADHO CCC[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662279061 412071497 /nfs/dbraw/zinc/07/14/97/412071497.db2.gz FKGDUHNVEMCOHB-LBPRGKRZSA-N 1 3 224.348 1.382 20 0 BDADHO CCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662279061 412071500 /nfs/dbraw/zinc/07/15/00/412071500.db2.gz FKGDUHNVEMCOHB-LBPRGKRZSA-N 1 3 224.348 1.382 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@@H](C)[C@H]1CCN)OC ZINC000662285312 412076649 /nfs/dbraw/zinc/07/66/49/412076649.db2.gz JJFNYFSUVPYCRL-FRRDWIJNSA-N 1 3 244.379 1.097 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@@H](C)[C@H]1CCN)OC ZINC000662285312 412076653 /nfs/dbraw/zinc/07/66/53/412076653.db2.gz JJFNYFSUVPYCRL-FRRDWIJNSA-N 1 3 244.379 1.097 20 0 BDADHO OCC1(NCCCc2ccccc2)CC[NH2+]CC1 ZINC000662285635 412077476 /nfs/dbraw/zinc/07/74/76/412077476.db2.gz IQMDMQVFHBIYPE-UHFFFAOYSA-N 1 3 248.370 1.323 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC000126514980 171228593 /nfs/dbraw/zinc/22/85/93/171228593.db2.gz CXDNQKBAEVVXLY-VXGBXAGGSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC000126514980 171228594 /nfs/dbraw/zinc/22/85/94/171228594.db2.gz CXDNQKBAEVVXLY-VXGBXAGGSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)N(CC)CC ZINC000346168577 171232205 /nfs/dbraw/zinc/23/22/05/171232205.db2.gz UARYRCQCCIBUIT-NWDGAFQWSA-N 1 3 243.395 1.173 20 0 BDADHO Cc1nocc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000662282021 412073222 /nfs/dbraw/zinc/07/32/22/412073222.db2.gz AWPAPMDOVPLYSE-NSHDSACASA-N 1 3 249.358 1.947 20 0 BDADHO COc1ccc(CN(C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000662297063 412084160 /nfs/dbraw/zinc/08/41/60/412084160.db2.gz ZDOFTMPEOSUSAQ-LBPRGKRZSA-N 1 3 249.358 1.522 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169816525 171396141 /nfs/dbraw/zinc/39/61/41/171396141.db2.gz HGINXKRJLBWJHS-CABZTGNLSA-N 1 3 235.331 1.457 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236921994 171396504 /nfs/dbraw/zinc/39/65/04/171396504.db2.gz QGVUFAYQTURSRV-GWCFXTLKSA-N 1 3 249.358 1.718 20 0 BDADHO CCCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321465 412101131 /nfs/dbraw/zinc/10/11/31/412101131.db2.gz ISESZOOGBPVFQG-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665236631 412177159 /nfs/dbraw/zinc/17/71/59/412177159.db2.gz QXFRTRHUONGNBT-JHJVBQTASA-N 1 3 239.407 1.447 20 0 BDADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000665236816 412177192 /nfs/dbraw/zinc/17/71/92/412177192.db2.gz VCMIFKSZCQVIIO-QJPTWQEYSA-N 1 3 225.380 1.329 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCO[C@H]1CC1(F)F ZINC000665244104 412187113 /nfs/dbraw/zinc/18/71/13/412187113.db2.gz GHKORFPYRRPIRF-CIUDSAMLSA-N 1 3 222.279 1.126 20 0 BDADHO CCCN1CC[C@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273862 412215672 /nfs/dbraw/zinc/21/56/72/412215672.db2.gz FVMIYVUEDBIGAR-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CCCCN1 ZINC000665244241 412189726 /nfs/dbraw/zinc/18/97/26/412189726.db2.gz JQPQULKEJMXKHL-AXFHLTTASA-N 1 3 248.317 1.531 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccoc2)C1 ZINC000665263036 412206034 /nfs/dbraw/zinc/20/60/34/412206034.db2.gz DYSCCHFNNDZACW-RYUDHWBXSA-N 1 3 208.305 1.682 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)C1CNC1 ZINC000665263914 412207682 /nfs/dbraw/zinc/20/76/82/412207682.db2.gz XZSSEPYCTDYYDM-MRBYEJRBSA-N 1 3 208.349 1.620 20 0 BDADHO COCc1csc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000665263685 412208123 /nfs/dbraw/zinc/20/81/23/412208123.db2.gz RXIZEJJDDRZRQI-NWDGAFQWSA-N 1 3 240.372 1.864 20 0 BDADHO C[C@H]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265061 412209103 /nfs/dbraw/zinc/20/91/03/412209103.db2.gz OMRKNQAYRKSCJI-MWWBDVBNSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@H](NC[C@@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665267213 412210164 /nfs/dbraw/zinc/21/01/64/412210164.db2.gz RTJLMYGYIHCMAZ-IONNQARKSA-N 1 3 204.264 1.229 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CNC1 ZINC000665267213 412210166 /nfs/dbraw/zinc/21/01/66/412210166.db2.gz RTJLMYGYIHCMAZ-IONNQARKSA-N 1 3 204.264 1.229 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000662399088 412147576 /nfs/dbraw/zinc/14/75/76/412147576.db2.gz GJNMWHMLJPGQQG-GFCCVEGCSA-N 1 3 235.331 1.343 20 0 BDADHO Nc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000665272941 412213621 /nfs/dbraw/zinc/21/36/21/412213621.db2.gz NUJMXLDEZHPHBN-NILFDRSVSA-N 1 3 245.370 1.973 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665272941 412213624 /nfs/dbraw/zinc/21/36/24/412213624.db2.gz NUJMXLDEZHPHBN-NILFDRSVSA-N 1 3 245.370 1.973 20 0 BDADHO CC[C@H]([NH2+]CCC1CC(OC)C1)[C@@H]1CCCN1 ZINC000665230866 412167266 /nfs/dbraw/zinc/16/72/66/412167266.db2.gz XIBSEOSEFMCFBS-HOAMVYINSA-N 1 3 240.391 1.922 20 0 BDADHO CCC[N@@H+]1CC[C@H](N[C@H](C)c2cnccc2N)C1 ZINC000665274825 412216927 /nfs/dbraw/zinc/21/69/27/412216927.db2.gz ZEVDSAZJTFQCQG-NEPJUHHUSA-N 1 3 248.374 1.629 20 0 BDADHO CCC[N@H+]1CC[C@H](N[C@H](C)c2cnccc2N)C1 ZINC000665274825 412216931 /nfs/dbraw/zinc/21/69/31/412216931.db2.gz ZEVDSAZJTFQCQG-NEPJUHHUSA-N 1 3 248.374 1.629 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@H](C)c2cnccc2N)C1 ZINC000665274825 412216933 /nfs/dbraw/zinc/21/69/33/412216933.db2.gz ZEVDSAZJTFQCQG-NEPJUHHUSA-N 1 3 248.374 1.629 20 0 BDADHO CCCN1CC[C@@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665274304 412217890 /nfs/dbraw/zinc/21/78/90/412217890.db2.gz NEFRJFHHLQVUGP-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1=CCCC1 ZINC000665274874 412218110 /nfs/dbraw/zinc/21/81/10/412218110.db2.gz ZVRJHZYWNRTXNV-DRZSPHRISA-N 1 3 224.348 1.439 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662565610 412221220 /nfs/dbraw/zinc/22/12/20/412221220.db2.gz DRDWNWMHKJRWAO-WCQYABFASA-N 1 3 247.342 1.075 20 0 BDADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662845502 412320083 /nfs/dbraw/zinc/32/00/83/412320083.db2.gz SXOQHBKYERBFNM-QWRGUYRKSA-N 1 3 241.379 1.055 20 0 BDADHO CCc1nocc1CNCC1CC[NH+](C)CC1 ZINC000339241611 172098478 /nfs/dbraw/zinc/09/84/78/172098478.db2.gz WQXLAZYLVGQWFZ-UHFFFAOYSA-N 1 3 237.347 1.668 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CCCOCC1 ZINC000336553354 173028357 /nfs/dbraw/zinc/02/83/57/173028357.db2.gz XKQNQIDKSKGZCK-GFCCVEGCSA-N 1 3 212.337 1.193 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CCCOCC1 ZINC000336553354 173028360 /nfs/dbraw/zinc/02/83/60/173028360.db2.gz XKQNQIDKSKGZCK-GFCCVEGCSA-N 1 3 212.337 1.193 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@](O)(C2CC2)C1 ZINC000370085602 173028911 /nfs/dbraw/zinc/02/89/11/173028911.db2.gz WJSCDZYDKCGXHS-ZIAGYGMSSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@](O)(C2CC2)C1 ZINC000370085602 173028914 /nfs/dbraw/zinc/02/89/14/173028914.db2.gz WJSCDZYDKCGXHS-ZIAGYGMSSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@](C)(O)CC1 ZINC000336543063 173029166 /nfs/dbraw/zinc/02/91/66/173029166.db2.gz FMLQYTZQVRCBPA-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@](C)(O)CC1 ZINC000336543063 173029169 /nfs/dbraw/zinc/02/91/69/173029169.db2.gz FMLQYTZQVRCBPA-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704662 173029371 /nfs/dbraw/zinc/02/93/71/173029371.db2.gz XQIIPCANZNQTKP-OLZOCXBDSA-N 1 3 242.407 1.810 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704662 173029373 /nfs/dbraw/zinc/02/93/73/173029373.db2.gz XQIIPCANZNQTKP-OLZOCXBDSA-N 1 3 242.407 1.810 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000129155682 173036963 /nfs/dbraw/zinc/03/69/63/173036963.db2.gz MIVWTGCJAXXQQG-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000129155682 173036964 /nfs/dbraw/zinc/03/69/64/173036964.db2.gz MIVWTGCJAXXQQG-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN(CC3(C)COC3)C2)C1 ZINC000336664946 173138268 /nfs/dbraw/zinc/13/82/68/173138268.db2.gz LFEIXCQUTPITFK-CYBMUJFWSA-N 1 3 224.348 1.051 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN(CC3(C)COC3)C2)C1 ZINC000336664946 173138269 /nfs/dbraw/zinc/13/82/69/173138269.db2.gz LFEIXCQUTPITFK-CYBMUJFWSA-N 1 3 224.348 1.051 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN(CCCCF)C2)C1 ZINC000367847878 173167441 /nfs/dbraw/zinc/16/74/41/173167441.db2.gz RIEFSEKWSAENRT-LBPRGKRZSA-N 1 3 214.328 1.764 20 0 BDADHO C[N@H+]1CC[C@]2(CCN(CCCCF)C2)C1 ZINC000367847878 173167442 /nfs/dbraw/zinc/16/74/42/173167442.db2.gz RIEFSEKWSAENRT-LBPRGKRZSA-N 1 3 214.328 1.764 20 0 BDADHO Cn1cncc1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000377796824 173154301 /nfs/dbraw/zinc/15/43/01/173154301.db2.gz VHXVJUVSOPUCBN-MELADBBJSA-N 1 3 248.374 1.383 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC000051756202 173338355 /nfs/dbraw/zinc/33/83/55/173338355.db2.gz XPHYVFHZKFZQJA-UHFFFAOYSA-N 1 3 219.332 1.513 20 0 BDADHO C[NH2+]CC1CCN(Cc2cccc(O)c2)CC1 ZINC000063159036 173338790 /nfs/dbraw/zinc/33/87/90/173338790.db2.gz TXBDLPBVNCDASL-UHFFFAOYSA-N 1 3 234.343 1.824 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000011891980 173371269 /nfs/dbraw/zinc/37/12/69/173371269.db2.gz WAIOZZUVVFJNJE-AWEZNQCLSA-N 1 3 218.344 1.770 20 0 BDADHO CNCc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237232247 173389791 /nfs/dbraw/zinc/38/97/91/173389791.db2.gz BKWFGDTVWZDENC-NWDGAFQWSA-N 1 3 247.342 1.472 20 0 BDADHO CNCc1cccc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000296319250 173389799 /nfs/dbraw/zinc/38/97/99/173389799.db2.gz HANSMHSDQSFRKI-AWEZNQCLSA-N 1 3 247.342 1.344 20 0 BDADHO COC1CC([NH2+]CC(C)(C)CN2CCCC2)C1 ZINC000361645792 174017630 /nfs/dbraw/zinc/01/76/30/174017630.db2.gz FKLRRUSVNZHLSQ-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO COC1CC(NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000361645792 174017633 /nfs/dbraw/zinc/01/76/33/174017633.db2.gz FKLRRUSVNZHLSQ-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)C[NH2+]CCCN(C)C(C)C ZINC000336761111 174071987 /nfs/dbraw/zinc/07/19/87/174071987.db2.gz KFKMQBUVQBZDDY-UHFFFAOYSA-N 1 3 230.396 1.979 20 0 BDADHO COCC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310258621 174076343 /nfs/dbraw/zinc/07/63/43/174076343.db2.gz HFJXDEHSPMXQGB-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310258621 174076345 /nfs/dbraw/zinc/07/63/45/174076345.db2.gz HFJXDEHSPMXQGB-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000310258621 174076346 /nfs/dbraw/zinc/07/63/46/174076346.db2.gz HFJXDEHSPMXQGB-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000234691470 174143142 /nfs/dbraw/zinc/14/31/42/174143142.db2.gz CLANIFQQQCRZFA-NEPJUHHUSA-N 1 3 228.380 1.766 20 0 BDADHO COCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000300929711 174250814 /nfs/dbraw/zinc/25/08/14/174250814.db2.gz ZQVHLQVCIVAABO-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO COc1ccc(OCCNCCC[NH3+])cc1 ZINC000041620024 175172684 /nfs/dbraw/zinc/17/26/84/175172684.db2.gz CJZJMLKIWPJPOF-UHFFFAOYSA-N 1 3 224.304 1.012 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCCO1)C2 ZINC000383505829 487631507 /nfs/dbraw/zinc/63/15/07/487631507.db2.gz FXPWIPXIXAXWSH-IHRRRGAJSA-N 1 3 238.375 1.616 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCCO1)C2 ZINC000383505829 487631512 /nfs/dbraw/zinc/63/15/12/487631512.db2.gz FXPWIPXIXAXWSH-IHRRRGAJSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1=CCCOC1 ZINC000348222941 176279360 /nfs/dbraw/zinc/27/93/60/176279360.db2.gz WSLQDOZHSFCYCA-YRGRVCCFSA-N 1 3 238.375 1.651 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1=CCCOC1 ZINC000348222941 176279362 /nfs/dbraw/zinc/27/93/62/176279362.db2.gz WSLQDOZHSFCYCA-YRGRVCCFSA-N 1 3 238.375 1.651 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1cnccn1 ZINC000341901524 176279374 /nfs/dbraw/zinc/27/93/74/176279374.db2.gz YWNSGEWQDQZGNX-YRGRVCCFSA-N 1 3 248.374 1.337 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1cnccn1 ZINC000341901524 176279376 /nfs/dbraw/zinc/27/93/76/176279376.db2.gz YWNSGEWQDQZGNX-YRGRVCCFSA-N 1 3 248.374 1.337 20 0 BDADHO C[C@@H]1CN(CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035787519 176286434 /nfs/dbraw/zinc/28/64/34/176286434.db2.gz ONCCOLGQBLIQFL-GHMZBOCLSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000020072101 176288667 /nfs/dbraw/zinc/28/86/67/176288667.db2.gz LIKYVPSLDLFRKA-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000351796631 176292475 /nfs/dbraw/zinc/29/24/75/176292475.db2.gz XTCZTOKQNDFKMQ-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000351796631 176292477 /nfs/dbraw/zinc/29/24/77/176292477.db2.gz XTCZTOKQNDFKMQ-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1N ZINC000044982036 176297867 /nfs/dbraw/zinc/29/78/67/176297867.db2.gz XLLLBAVUSWFOFR-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1N ZINC000044982036 176297868 /nfs/dbraw/zinc/29/78/68/176297868.db2.gz XLLLBAVUSWFOFR-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000044982036 176297869 /nfs/dbraw/zinc/29/78/69/176297869.db2.gz XLLLBAVUSWFOFR-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073655442 176327685 /nfs/dbraw/zinc/32/76/85/176327685.db2.gz CLPZCFXGDJOALG-YPMHNXCESA-N 1 3 204.317 1.774 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000305855740 176342000 /nfs/dbraw/zinc/34/20/00/176342000.db2.gz BMZSLFVOERXFKK-RQJABVFESA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1C[C@@H](NCCCC[NH+](C)C)c2nccn21 ZINC000345364585 176374729 /nfs/dbraw/zinc/37/47/29/176374729.db2.gz XTBTYIRRKSQQEO-VXGBXAGGSA-N 1 3 236.363 1.820 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331928315 177001220 /nfs/dbraw/zinc/00/12/20/177001220.db2.gz HIHPMLLRVYVKAJ-BJDJZHNGSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H](C)N1C ZINC000336895414 177255028 /nfs/dbraw/zinc/25/50/28/177255028.db2.gz YTMXSEOBRQHTEK-MJBXVCDLSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@H](C)N1C ZINC000336895414 177255030 /nfs/dbraw/zinc/25/50/30/177255030.db2.gz YTMXSEOBRQHTEK-MJBXVCDLSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1ccccc1 ZINC000073655451 177284698 /nfs/dbraw/zinc/28/46/98/177284698.db2.gz CLPZCFXGDJOALG-WCQYABFASA-N 1 3 204.317 1.774 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCCCF ZINC000308506267 177361590 /nfs/dbraw/zinc/36/15/90/177361590.db2.gz YZNINTOJZAPXET-WDEREUQCSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCCCF ZINC000308506267 177361591 /nfs/dbraw/zinc/36/15/91/177361591.db2.gz YZNINTOJZAPXET-WDEREUQCSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000235662803 177362515 /nfs/dbraw/zinc/36/25/15/177362515.db2.gz JLKIDSWYXTVNJX-WUHRBBMRSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCC1 ZINC000336783268 177369177 /nfs/dbraw/zinc/36/91/77/177369177.db2.gz ZYHNOMRDLOTUFT-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCC1 ZINC000336783268 177369178 /nfs/dbraw/zinc/36/91/78/177369178.db2.gz ZYHNOMRDLOTUFT-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000400562499 226346262 /nfs/dbraw/zinc/34/62/62/226346262.db2.gz IAOIYJJKTMDZLR-MDZLAQPJSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H](N[C@@H](CCO)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400704977 226349824 /nfs/dbraw/zinc/34/98/24/226349824.db2.gz KRTRCZFLRYNUHE-TUAOUCFPSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400736107 226350932 /nfs/dbraw/zinc/35/09/32/226350932.db2.gz RSVWBQZQMZQGIB-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401949920 226363727 /nfs/dbraw/zinc/36/37/27/226363727.db2.gz YWAVXOOYEDKBQV-IHRRRGAJSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@H](NCCC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000402005758 226364279 /nfs/dbraw/zinc/36/42/79/226364279.db2.gz QJWCYJUMVYYGKB-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCCc2cncn2C)C1 ZINC000314980955 487669233 /nfs/dbraw/zinc/66/92/33/487669233.db2.gz XNMSAOJEDQLSFF-NEPJUHHUSA-N 1 3 236.363 1.022 20 0 BDADHO CCC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000233025756 487686747 /nfs/dbraw/zinc/68/67/47/487686747.db2.gz AWJGZFNKZCWKPD-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO CCC[NH+]1CCC(Nc2ccnc(CO)c2)CC1 ZINC000527836078 262887917 /nfs/dbraw/zinc/88/79/17/262887917.db2.gz ZOPXZYAYMQIKGJ-UHFFFAOYSA-N 1 3 249.358 1.860 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1C[C@H]1C ZINC000397549944 262926798 /nfs/dbraw/zinc/92/67/98/262926798.db2.gz RXQHYUINZMFLIL-UTUOFQBUSA-N 1 3 226.364 1.077 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000250631732 487737421 /nfs/dbraw/zinc/73/74/21/487737421.db2.gz DEOZPXZMRLMUES-TUAOUCFPSA-N 1 3 212.337 1.273 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCOCc2ccccc2)C1 ZINC000307314687 487788783 /nfs/dbraw/zinc/78/87/83/487788783.db2.gz VPVGSMLFYJRMQJ-AWEZNQCLSA-N 1 3 234.343 1.484 20 0 BDADHO CC[C@@H]1CN([C@H](C)COC)CC[C@@H]1[NH3+] ZINC000251728607 487792634 /nfs/dbraw/zinc/79/26/34/487792634.db2.gz KHFKDFUCOOHEBR-MXWKQRLJSA-N 1 3 200.326 1.081 20 0 BDADHO CO[C@@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000223868669 487798475 /nfs/dbraw/zinc/79/84/75/487798475.db2.gz PILAFLIPZYKKBG-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO NCCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000414699055 487817349 /nfs/dbraw/zinc/81/73/49/487817349.db2.gz DVXGFSYAHJHBHJ-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO NCCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000414699055 487817351 /nfs/dbraw/zinc/81/73/51/487817351.db2.gz DVXGFSYAHJHBHJ-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]CCCN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000414699055 487817356 /nfs/dbraw/zinc/81/73/56/487817356.db2.gz DVXGFSYAHJHBHJ-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@](CO)([NH2+]CCCN)C1CCCCC1 ZINC000414708294 487818727 /nfs/dbraw/zinc/81/87/27/487818727.db2.gz NPJPMKQBUDEOSU-LBPRGKRZSA-N 1 3 214.353 1.256 20 0 BDADHO COCC[N@H+](CCCN)[C@H]1CC[C@H](C)C1 ZINC000414752511 487822199 /nfs/dbraw/zinc/82/21/99/487822199.db2.gz KXMDRLQLZPTDEV-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO COCC[N@@H+](CCCN)[C@H]1CC[C@H](C)C1 ZINC000414752511 487822204 /nfs/dbraw/zinc/82/22/04/487822204.db2.gz KXMDRLQLZPTDEV-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CCC[NH3+] ZINC000414760830 487823265 /nfs/dbraw/zinc/82/32/65/487823265.db2.gz HQXKMYOVWAQHKD-YHWZYXNKSA-N 1 3 248.374 1.479 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818802 /nfs/dbraw/zinc/81/88/02/527818802.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 1 3 210.365 1.916 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818810 /nfs/dbraw/zinc/81/88/10/527818810.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 1 3 210.365 1.916 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818816 /nfs/dbraw/zinc/81/88/16/527818816.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 1 3 210.365 1.916 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H]2C)C1 ZINC000488355535 527818821 /nfs/dbraw/zinc/81/88/21/527818821.db2.gz RONBSJMKVOGAAF-RWMBFGLXSA-N 1 3 210.365 1.916 20 0 BDADHO Cc1ncc(CCN[C@H](C)C[C@H](C)[NH3+])s1 ZINC000817915040 586838815 /nfs/dbraw/zinc/83/88/15/586838815.db2.gz GYTRRKALRHHIOW-DTWKUNHWSA-N 1 3 227.377 1.709 20 0 BDADHO CCCN1CC[C@@H](NC(=O)[C@](C)([NH3+])CCC)C1 ZINC000389737945 487832688 /nfs/dbraw/zinc/83/26/88/487832688.db2.gz LFSZXPAVXYCAOZ-DGCLKSJQSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cc(CC[NH2+]CCCN)cc(C)c1O ZINC000415104682 487837893 /nfs/dbraw/zinc/83/78/93/487837893.db2.gz LEBMRPTVGARUIF-UHFFFAOYSA-N 1 3 222.332 1.490 20 0 BDADHO Cc1cc(CCNCCC[NH3+])cc(C)c1O ZINC000415104682 487837894 /nfs/dbraw/zinc/83/78/94/487837894.db2.gz LEBMRPTVGARUIF-UHFFFAOYSA-N 1 3 222.332 1.490 20 0 BDADHO Cc1ccc(CN(C)CC2CC[NH2+]CC2)nc1 ZINC000156607171 487838826 /nfs/dbraw/zinc/83/88/26/487838826.db2.gz WNIJPJYJBBPBPD-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCOCc2ccccc2)C1 ZINC000309912011 487847316 /nfs/dbraw/zinc/84/73/16/487847316.db2.gz SEDOYZFCQPYMML-ZFWWWQNUSA-N 1 3 248.370 1.872 20 0 BDADHO C[C@H]1CN(CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000225064982 487876765 /nfs/dbraw/zinc/87/67/65/487876765.db2.gz CNFNVQLWTQCVTA-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000226705449 487879194 /nfs/dbraw/zinc/87/91/94/487879194.db2.gz ZXOFPQQLHQYSMJ-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CO1 ZINC000403799446 487888670 /nfs/dbraw/zinc/88/86/70/487888670.db2.gz DYKNGEOJCKJKGV-IGQOVBAYSA-N 1 3 240.391 1.874 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCc2cnc3ccccn23)C1 ZINC000666852276 487891202 /nfs/dbraw/zinc/89/12/02/487891202.db2.gz YLVAJBNTNDYOJV-NEPJUHHUSA-N 1 3 244.342 1.694 20 0 BDADHO Oc1cccc(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666950961 487913347 /nfs/dbraw/zinc/91/33/47/487913347.db2.gz UBZKMXMPVICAAP-ZDUSSCGKSA-N 1 3 232.327 1.624 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993787 487923343 /nfs/dbraw/zinc/92/33/43/487923343.db2.gz JVSFHRIJMRTNBY-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C1 ZINC000570105974 323050036 /nfs/dbraw/zinc/05/00/36/323050036.db2.gz GKDTXFCETYNNIO-NDBYEHHHSA-N 1 3 226.364 1.397 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000570286802 323055268 /nfs/dbraw/zinc/05/52/68/323055268.db2.gz ZUPMABKKWXHLMF-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCCC(C)(C)CC1 ZINC000570286802 323055269 /nfs/dbraw/zinc/05/52/69/323055269.db2.gz ZUPMABKKWXHLMF-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO CCOC(=O)CCCCN1CCC[C@@H](C[NH3+])C1 ZINC000567735510 323079606 /nfs/dbraw/zinc/07/96/06/323079606.db2.gz LNNRDGQNBMQMJC-LBPRGKRZSA-N 1 3 242.363 1.391 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563164782 323099334 /nfs/dbraw/zinc/09/93/34/323099334.db2.gz FVKWMQGFTONFGN-CQSZACIVSA-N 1 3 249.358 1.279 20 0 BDADHO Cc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000391165274 323099470 /nfs/dbraw/zinc/09/94/70/323099470.db2.gz OTNLDHNSMAMALE-ZIAGYGMSSA-N 1 3 233.359 1.997 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000571038343 323104418 /nfs/dbraw/zinc/10/44/18/323104418.db2.gz MNGRVQWCPJJGLA-RWMBFGLXSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000571038343 323104419 /nfs/dbraw/zinc/10/44/19/323104419.db2.gz MNGRVQWCPJJGLA-RWMBFGLXSA-N 1 3 228.380 1.371 20 0 BDADHO COC[C@H](C)CN(C)CCC[NH+](C)C ZINC000518804720 323142706 /nfs/dbraw/zinc/14/27/06/323142706.db2.gz ZSSWHAYWHIDGKH-LLVKDONJSA-N 1 3 202.342 1.152 20 0 BDADHO C[C@@H]([NH3+])C1CCN(CC2(F)CC2)CC1 ZINC000307318023 323169575 /nfs/dbraw/zinc/16/95/75/323169575.db2.gz LPODELWUCXFIOL-SECBINFHSA-N 1 3 200.301 1.548 20 0 BDADHO C[C@H](CCc1ccco1)NCC(C)(C)[NH3+] ZINC000309003310 323184267 /nfs/dbraw/zinc/18/42/67/323184267.db2.gz MDGICIGGGQFYPY-SNVBAGLBSA-N 1 3 210.321 1.928 20 0 BDADHO C[N@H+](C[C@H]1CCCC[C@@H]1O)C1CCNCC1 ZINC000328460292 323251963 /nfs/dbraw/zinc/25/19/63/323251963.db2.gz GYGFEHSPBDWGQJ-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CCNCC1 ZINC000328460292 323251965 /nfs/dbraw/zinc/25/19/65/323251965.db2.gz GYGFEHSPBDWGQJ-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO CN(C[C@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328460292 323251968 /nfs/dbraw/zinc/25/19/68/323251968.db2.gz GYGFEHSPBDWGQJ-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@H](C)N)c1 ZINC000131639683 325172350 /nfs/dbraw/zinc/17/23/50/325172350.db2.gz QHDYJEVAWZSMGE-VIFPVBQESA-N 1 3 221.304 1.082 20 0 BDADHO C([NH2+][C@@H]1CCC12CCOCC2)[C@H]1CCCNC1 ZINC000564791795 325809534 /nfs/dbraw/zinc/80/95/34/325809534.db2.gz HORZWISPGZLWIK-QWHCGFSZSA-N 1 3 238.375 1.535 20 0 BDADHO CC1(C)CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565821634 325960438 /nfs/dbraw/zinc/96/04/38/325960438.db2.gz ROICKJGRNFTXHN-KXNHARMFSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CCCSC1 ZINC000566088181 325991807 /nfs/dbraw/zinc/99/18/07/325991807.db2.gz BQCRHNDWHGOOSO-LLVKDONJSA-N 1 3 216.394 1.860 20 0 BDADHO CC(C)N1CCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000566201303 326011863 /nfs/dbraw/zinc/01/18/63/326011863.db2.gz SXKYHOHVXYNGQN-NSHDSACASA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)N1CCCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000566201302 326011877 /nfs/dbraw/zinc/01/18/77/326011877.db2.gz SXKYHOHVXYNGQN-LLVKDONJSA-N 1 3 241.379 1.103 20 0 BDADHO CNCc1ccccc1NC(=O)CC[C@H](C)[NH3+] ZINC000566240010 326021031 /nfs/dbraw/zinc/02/10/31/326021031.db2.gz CEGNEWUPDZDDEQ-JTQLQIEISA-N 1 3 235.331 1.472 20 0 BDADHO CCCCNC(=O)CCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000566411896 326041447 /nfs/dbraw/zinc/04/14/47/326041447.db2.gz MSQJWVGNFLCSCG-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000566614423 326067785 /nfs/dbraw/zinc/06/77/85/326067785.db2.gz RIVPDDYRNJXMHD-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)CN(C)C ZINC000566778830 326082278 /nfs/dbraw/zinc/08/22/78/326082278.db2.gz ZSISRTLQAFTQMU-WUHRBBMRSA-N 1 3 228.380 1.730 20 0 BDADHO CC[NH+](CC)CCCN1CCNC[C@@H]1C(F)F ZINC000567235510 326148095 /nfs/dbraw/zinc/14/80/95/326148095.db2.gz NARFBKPMBSPFIM-LLVKDONJSA-N 1 3 249.349 1.257 20 0 BDADHO Cc1cccc(CC[N@H+]2CC[C@H](CN(C)C)C2)n1 ZINC000567760548 326256022 /nfs/dbraw/zinc/25/60/22/326256022.db2.gz WPDNEBSASJQPNT-CQSZACIVSA-N 1 3 247.386 1.816 20 0 BDADHO Cc1cccc(CC[N@@H+]2CC[C@H](CN(C)C)C2)n1 ZINC000567760548 326256025 /nfs/dbraw/zinc/25/60/25/326256025.db2.gz WPDNEBSASJQPNT-CQSZACIVSA-N 1 3 247.386 1.816 20 0 BDADHO C[C@H](NC1CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000567839036 326267995 /nfs/dbraw/zinc/26/79/95/326267995.db2.gz NKXSRLWHOQDCDM-VIFPVBQESA-N 1 3 233.315 1.224 20 0 BDADHO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)[C@H]1CCCCN1 ZINC000567899630 326274490 /nfs/dbraw/zinc/27/44/90/326274490.db2.gz LITXSXRJVJBONK-DDHJBXDOSA-N 1 3 212.337 1.284 20 0 BDADHO Cc1noc(C)c1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568247222 326333851 /nfs/dbraw/zinc/33/38/51/326333851.db2.gz FPHNJPZBQJCONE-NEPJUHHUSA-N 1 3 237.347 1.693 20 0 BDADHO C[NH+](C)[C@H]1CCN(c2nccc3[nH]ccc32)C1 ZINC000663537298 488061148 /nfs/dbraw/zinc/06/11/48/488061148.db2.gz GAZQUUJLGHUCBH-JTQLQIEISA-N 1 3 230.315 1.703 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000401942284 488073618 /nfs/dbraw/zinc/07/36/18/488073618.db2.gz TXMRYSZHJXVYIO-UPJWGTAASA-N 1 3 226.364 1.663 20 0 BDADHO NC1(C(=O)Nc2cccc(C[NH3+])c2)CCCCC1 ZINC000669508434 488108989 /nfs/dbraw/zinc/10/89/89/488108989.db2.gz XQGZMYOEODIFCQ-UHFFFAOYSA-N 1 3 247.342 1.745 20 0 BDADHO C[C@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]C1 ZINC000669508306 488109205 /nfs/dbraw/zinc/10/92/05/488109205.db2.gz CJVQFFRZLPCBRG-AWEZNQCLSA-N 1 3 247.342 1.474 20 0 BDADHO CC[C@@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000669510836 488114896 /nfs/dbraw/zinc/11/48/96/488114896.db2.gz BXPQHSZVZVHPNW-LLVKDONJSA-N 1 3 233.315 1.008 20 0 BDADHO CN(C)C[C@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000070088423 487548335 /nfs/dbraw/zinc/54/83/35/487548335.db2.gz FXYZEPUREQDQKK-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302107 487554697 /nfs/dbraw/zinc/55/46/97/487554697.db2.gz JOQWJZCHVNKRAJ-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302107 487554699 /nfs/dbraw/zinc/55/46/99/487554699.db2.gz JOQWJZCHVNKRAJ-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)OCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381160610 487499665 /nfs/dbraw/zinc/49/96/65/487499665.db2.gz RGTSJXKDQHQDRV-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)OCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381160610 487499672 /nfs/dbraw/zinc/49/96/72/487499672.db2.gz RGTSJXKDQHQDRV-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)OCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381160610 487499680 /nfs/dbraw/zinc/49/96/80/487499680.db2.gz RGTSJXKDQHQDRV-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@H]1COC2(CCC2)C1 ZINC000657859210 488152515 /nfs/dbraw/zinc/15/25/15/488152515.db2.gz RBVOKQATTJDJPO-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO C(C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)CN1CCCC1 ZINC000667928101 488160948 /nfs/dbraw/zinc/16/09/48/488160948.db2.gz PEJSEYYIJIILQW-UONOGXRCSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@@H]1CO[C@@H](C2CC2)C1)C[NH+]1CCCC1 ZINC000667928101 488160952 /nfs/dbraw/zinc/16/09/52/488160952.db2.gz PEJSEYYIJIILQW-UONOGXRCSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](CO)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000678043403 488178857 /nfs/dbraw/zinc/17/88/57/488178857.db2.gz CETILBKSRGGCDZ-JSGCOSHPSA-N 1 3 240.391 1.279 20 0 BDADHO C[C@H](CO)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043403 488178860 /nfs/dbraw/zinc/17/88/60/488178860.db2.gz CETILBKSRGGCDZ-JSGCOSHPSA-N 1 3 240.391 1.279 20 0 BDADHO c1cc2c(cccc2CN2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000678342886 488243508 /nfs/dbraw/zinc/24/35/08/488243508.db2.gz FCCWVLMEDZOPSR-STQMWFEESA-N 1 3 241.338 1.819 20 0 BDADHO OC[C@H](CC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678604989 488270944 /nfs/dbraw/zinc/27/09/44/488270944.db2.gz BIQNWGTWGALADC-HZSPNIEDSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](CC1CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678604989 488270945 /nfs/dbraw/zinc/27/09/45/488270945.db2.gz BIQNWGTWGALADC-HZSPNIEDSA-N 1 3 238.375 1.364 20 0 BDADHO CC(C)(O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000684588966 488329144 /nfs/dbraw/zinc/32/91/44/488329144.db2.gz VBSFXSMFJKONPT-UHFFFAOYSA-N 1 3 249.358 1.365 20 0 BDADHO CC(C)(O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000684588966 488329145 /nfs/dbraw/zinc/32/91/45/488329145.db2.gz VBSFXSMFJKONPT-UHFFFAOYSA-N 1 3 249.358 1.365 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCCOC1 ZINC000070011472 490196320 /nfs/dbraw/zinc/19/63/20/490196320.db2.gz YRQJZFGZTVFUGZ-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)[C@@H](C)CC)CC1 ZINC000305107784 490434575 /nfs/dbraw/zinc/43/45/75/490434575.db2.gz DOJPZVYUADANIU-GXTWGEPZSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000383740019 491090578 /nfs/dbraw/zinc/09/05/78/491090578.db2.gz IDYGMBAKTWMGNB-MJBXVCDLSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000383740019 491090580 /nfs/dbraw/zinc/09/05/80/491090580.db2.gz IDYGMBAKTWMGNB-MJBXVCDLSA-N 1 3 240.391 1.419 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000262718089 535528824 /nfs/dbraw/zinc/52/88/24/535528824.db2.gz WZJKEBFEAOFQHO-WCQYABFASA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H]1N(CC2CC[NH+](C)CC2)CCOC1(C)C ZINC000892068413 582783448 /nfs/dbraw/zinc/78/34/48/582783448.db2.gz NEQMXMWODARTNY-GFCCVEGCSA-N 1 3 240.391 1.828 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494310403 528254761 /nfs/dbraw/zinc/25/47/61/528254761.db2.gz KUYNWSVSLMTGFK-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CC(C)(C)O ZINC000227737321 535062532 /nfs/dbraw/zinc/06/25/32/535062532.db2.gz ZDZONPNLBLIGPA-SNVBAGLBSA-N 1 3 202.342 1.063 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CC[C@@H]1CCCO1 ZINC000227736469 535062817 /nfs/dbraw/zinc/06/28/17/535062817.db2.gz PSOQIHLSVWJVDI-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC[C@H](C)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219313094 535834679 /nfs/dbraw/zinc/83/46/79/535834679.db2.gz CFHIWTXPNYNICR-NWDGAFQWSA-N 1 3 216.369 1.589 20 0 BDADHO CCc1cc(N2CC(N(C)C)C2)cc[nH+]1 ZINC000336192473 536143641 /nfs/dbraw/zinc/14/36/41/536143641.db2.gz LZKYEDLSZZRWET-UHFFFAOYSA-N 1 3 205.305 1.394 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCN(CCCF)C2)C1 ZINC000336114062 536381114 /nfs/dbraw/zinc/38/11/14/536381114.db2.gz WKEINSACNGQIRZ-GFCCVEGCSA-N 1 3 214.328 1.764 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000183686225 536370426 /nfs/dbraw/zinc/37/04/26/536370426.db2.gz CIBRJPTYKNOBCG-OLZOCXBDSA-N 1 3 242.407 1.857 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCN(CCCF)C2)C1 ZINC000336114062 536381111 /nfs/dbraw/zinc/38/11/11/536381111.db2.gz WKEINSACNGQIRZ-GFCCVEGCSA-N 1 3 214.328 1.764 20 0 BDADHO COCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442231 536591906 /nfs/dbraw/zinc/59/19/06/536591906.db2.gz BEFOBKPGNYDWAI-RYUDHWBXSA-N 1 3 212.337 1.239 20 0 BDADHO COCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442231 536591912 /nfs/dbraw/zinc/59/19/12/536591912.db2.gz BEFOBKPGNYDWAI-RYUDHWBXSA-N 1 3 212.337 1.239 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000261534124 536706254 /nfs/dbraw/zinc/70/62/54/536706254.db2.gz NKDGOGYIFYUITE-WUHRBBMRSA-N 1 3 226.364 1.661 20 0 BDADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000089147304 536841058 /nfs/dbraw/zinc/84/10/58/536841058.db2.gz DWTKUMFZKIOOQC-UKRRQHHQSA-N 1 3 248.370 1.955 20 0 BDADHO CN(CC[N@@H+](C)C1CC1)c1ccncc1CO ZINC000893228620 583075015 /nfs/dbraw/zinc/07/50/15/583075015.db2.gz KUGZEKAPLINLRF-UHFFFAOYSA-N 1 3 235.331 1.104 20 0 BDADHO CN(C)CCN1CCC([NH2+]CC2CC2)CC1 ZINC000112340674 588794535 /nfs/dbraw/zinc/79/45/35/588794535.db2.gz FGZCLNHLTDZUGD-UHFFFAOYSA-N 1 3 225.380 1.012 20 0 BDADHO CN(CCOCC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000846221343 582653346 /nfs/dbraw/zinc/65/33/46/582653346.db2.gz BZTNIGZXNAUHPD-UONOGXRCSA-N 1 3 234.343 1.450 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062040 582656490 /nfs/dbraw/zinc/65/64/90/582656490.db2.gz WGOVSMHKIMPKID-OLZOCXBDSA-N 1 3 240.391 1.646 20 0 BDADHO C[C@@H]1COCC[N@H+](CC2CCN(C)CC2)C1 ZINC000892077250 582786278 /nfs/dbraw/zinc/78/62/78/582786278.db2.gz PLBOJVGDIQUSMU-LBPRGKRZSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@@H]1COCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892077250 582786280 /nfs/dbraw/zinc/78/62/80/582786280.db2.gz PLBOJVGDIQUSMU-LBPRGKRZSA-N 1 3 226.364 1.297 20 0 BDADHO CC(C)[C@@H](CNC1=[NH+]C[C@H](C)N1)N1CCCC1 ZINC000848984110 582816704 /nfs/dbraw/zinc/81/67/04/582816704.db2.gz PIZMEKPMBBZAOJ-NWDGAFQWSA-N 1 3 238.379 1.044 20 0 BDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(F)F ZINC000849031688 582834125 /nfs/dbraw/zinc/83/41/25/582834125.db2.gz ZEURTPKZAHCCBV-VIFPVBQESA-N 1 3 248.321 1.240 20 0 BDADHO CN(CC[N@H+](C)C1CC1)c1ccncc1CO ZINC000893228620 583075014 /nfs/dbraw/zinc/07/50/14/583075014.db2.gz KUGZEKAPLINLRF-UHFFFAOYSA-N 1 3 235.331 1.104 20 0 BDADHO CC(C)N(C)CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000219375317 583175438 /nfs/dbraw/zinc/17/54/38/583175438.db2.gz VBDQQSSJLNPTGJ-ZDUSSCGKSA-N 1 3 226.364 1.999 20 0 BDADHO C[C@H]1[C@H](C)[N@H+](CC2CCN(C)CC2)CCN1C ZINC000893669601 583192314 /nfs/dbraw/zinc/19/23/14/583192314.db2.gz QTDNPNUPYZWYRM-STQMWFEESA-N 1 3 239.407 1.353 20 0 BDADHO C[C@H]1[C@H](C)[N@@H+](CC2CCN(C)CC2)CCN1C ZINC000893669601 583192315 /nfs/dbraw/zinc/19/23/15/583192315.db2.gz QTDNPNUPYZWYRM-STQMWFEESA-N 1 3 239.407 1.353 20 0 BDADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984870 583564305 /nfs/dbraw/zinc/56/43/05/583564305.db2.gz MPDDKDDRUVQEGF-QWHCGFSZSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984870 583564308 /nfs/dbraw/zinc/56/43/08/583564308.db2.gz MPDDKDDRUVQEGF-QWHCGFSZSA-N 1 3 248.374 1.859 20 0 BDADHO C[NH+]1CCC(CN2CC(CC(F)F)C2)CC1 ZINC000895017241 583568813 /nfs/dbraw/zinc/56/88/13/583568813.db2.gz AGGMESOMRBMLCM-UHFFFAOYSA-N 1 3 232.318 1.915 20 0 BDADHO CN1CCC(C[NH+]2CC(CC(F)F)C2)CC1 ZINC000895017241 583568814 /nfs/dbraw/zinc/56/88/14/583568814.db2.gz AGGMESOMRBMLCM-UHFFFAOYSA-N 1 3 232.318 1.915 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000895185513 583618964 /nfs/dbraw/zinc/61/89/64/583618964.db2.gz NYMJJOZJGAYSEC-PHIMTYICSA-N 1 3 230.302 1.525 20 0 BDADHO CN1CCC(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000895185513 583618966 /nfs/dbraw/zinc/61/89/66/583618966.db2.gz NYMJJOZJGAYSEC-PHIMTYICSA-N 1 3 230.302 1.525 20 0 BDADHO C[C@@H](CCNCc1ccc2nc[nH]c2c1)[NH+](C)C ZINC000895296704 583641350 /nfs/dbraw/zinc/64/13/50/583641350.db2.gz CEECOSLQOQQBIX-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO CN(Cc1cccc(=O)[nH]1)CC1CC[NH+](C)CC1 ZINC000897391680 583948378 /nfs/dbraw/zinc/94/83/78/583948378.db2.gz XSHIPPCBDMBKLK-UHFFFAOYSA-N 1 3 249.358 1.561 20 0 BDADHO C[NH+](C)C1(CNc2ccnc(CO)c2)CCCC1 ZINC000858345983 588947606 /nfs/dbraw/zinc/94/76/06/588947606.db2.gz HNDMMFXWBLSUTA-UHFFFAOYSA-N 1 3 249.358 1.860 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873282281 584129038 /nfs/dbraw/zinc/12/90/38/584129038.db2.gz SIZNVAMONOLIMY-WJTVCTBASA-N 1 3 226.364 1.659 20 0 BDADHO C[NH+](C)C1(CNc2ccnc(CO)c2)CCC1 ZINC000858506529 588961527 /nfs/dbraw/zinc/96/15/27/588961527.db2.gz URWSLMNYVBRNGP-UHFFFAOYSA-N 1 3 235.331 1.470 20 0 BDADHO C[C@H]([NH3+])c1ccc(-c2cnn(C)c2CN)cc1F ZINC000899324428 584196537 /nfs/dbraw/zinc/19/65/37/584196537.db2.gz ZKUDBHFKLCMMBP-QMMMGPOBSA-N 1 3 248.305 1.705 20 0 BDADHO [NH3+][C@H]1Cc2ccc(C=C3CNC3)cc2C1 ZINC000899328543 584197983 /nfs/dbraw/zinc/19/79/83/584197983.db2.gz VAVQOTJADTVEGJ-ZDUSSCGKSA-N 1 3 200.285 1.099 20 0 BDADHO [NH3+][C@@H]1CCc2cc(C=C3CNC3)ccc2C1 ZINC000899327808 584198002 /nfs/dbraw/zinc/19/80/02/584198002.db2.gz HSTOLWSVHAXITK-CQSZACIVSA-N 1 3 214.312 1.489 20 0 BDADHO CN1CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321358 584552717 /nfs/dbraw/zinc/55/27/17/584552717.db2.gz UVNQKOCWKJPEDI-VXGBXAGGSA-N 1 3 225.380 1.058 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCCO2)C1 ZINC000902317407 584556831 /nfs/dbraw/zinc/55/68/31/584556831.db2.gz JWZJIGHOKIPJBD-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369864 584566297 /nfs/dbraw/zinc/56/62/97/584566297.db2.gz MOXZNHBDRCLLON-VXGBXAGGSA-N 1 3 244.379 1.016 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 ZINC000902378162 584568537 /nfs/dbraw/zinc/56/85/37/584568537.db2.gz UOFKJXVPOPERIE-FRRDWIJNSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCc2ccncc2)C1 ZINC000902358546 584570635 /nfs/dbraw/zinc/57/06/35/584570635.db2.gz CJTLQNVWKAKMMA-AWEZNQCLSA-N 1 3 247.386 1.992 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000902358546 584570637 /nfs/dbraw/zinc/57/06/37/584570637.db2.gz CJTLQNVWKAKMMA-AWEZNQCLSA-N 1 3 247.386 1.992 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387797 584579792 /nfs/dbraw/zinc/57/97/92/584579792.db2.gz LLIPVSKTEWISJP-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902387797 584579793 /nfs/dbraw/zinc/57/97/93/584579793.db2.gz LLIPVSKTEWISJP-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C(C)(C)O ZINC000902388405 584580038 /nfs/dbraw/zinc/58/00/38/584580038.db2.gz PKQYKKSJPLAGOM-VXGBXAGGSA-N 1 3 242.407 1.904 20 0 BDADHO CO[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389088 584580686 /nfs/dbraw/zinc/58/06/86/584580686.db2.gz RXXQWEBDJNIFKF-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400984 584587623 /nfs/dbraw/zinc/58/76/23/584587623.db2.gz ZBRMZTCHANSTIV-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902400984 584587626 /nfs/dbraw/zinc/58/76/26/584587626.db2.gz ZBRMZTCHANSTIV-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO COC[C@@H](CC(C)C)NCC1([NH3+])CC1 ZINC000902416335 584590243 /nfs/dbraw/zinc/59/02/43/584590243.db2.gz MYJSTEKLLBHQTK-SNVBAGLBSA-N 1 3 200.326 1.128 20 0 BDADHO COc1ccccc1C[C@@H](C)NCC1([NH3+])CC1 ZINC000902417214 584590913 /nfs/dbraw/zinc/59/09/13/584590913.db2.gz XWOOQTDCYQKLPF-LLVKDONJSA-N 1 3 234.343 1.707 20 0 BDADHO CCCC[C@@H](COC)NCC1([NH3+])CC1 ZINC000902416994 584591285 /nfs/dbraw/zinc/59/12/85/584591285.db2.gz QSJADBXRKHWPHL-JTQLQIEISA-N 1 3 200.326 1.273 20 0 BDADHO CC(C)(C)N1CCC([NH2+]CCCON)CC1 ZINC000902417188 584591363 /nfs/dbraw/zinc/59/13/63/584591363.db2.gz GUSNFRVUKZOZEF-UHFFFAOYSA-N 1 3 229.368 1.119 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428338 584594829 /nfs/dbraw/zinc/59/48/29/584594829.db2.gz CEXPHKXXUFQPGP-DGAVXFQQSA-N 1 3 240.391 1.787 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000902430037 584594974 /nfs/dbraw/zinc/59/49/74/584594974.db2.gz CCSPXOJUUIHTON-IGQOVBAYSA-N 1 3 231.343 1.081 20 0 BDADHO COC[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902437436 584596573 /nfs/dbraw/zinc/59/65/73/584596573.db2.gz IAOCBKISUIURDD-RBSFLKMASA-N 1 3 246.354 1.626 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902436125 584596731 /nfs/dbraw/zinc/59/67/31/584596731.db2.gz XIPDBVPWPICUJF-QHSBEEBCSA-N 1 3 245.370 1.471 20 0 BDADHO [NH3+]C1(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000902413274 584599712 /nfs/dbraw/zinc/59/97/12/584599712.db2.gz JQEKYOFGLWMHGR-BBBLOLIVSA-N 1 3 244.429 1.447 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902450131 584606208 /nfs/dbraw/zinc/60/62/08/584606208.db2.gz RBJBHHNWCMXCGW-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC2(C)C)CN1C1CC1 ZINC000902448953 584605582 /nfs/dbraw/zinc/60/55/82/584605582.db2.gz KBLOOKQGZPZWDJ-NQBHXWOUSA-N 1 3 237.391 1.199 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902455832 584609144 /nfs/dbraw/zinc/60/91/44/584609144.db2.gz NEGHSZJJIWHJFS-KXNHARMFSA-N 1 3 208.349 1.905 20 0 BDADHO CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000902457013 584610493 /nfs/dbraw/zinc/61/04/93/584610493.db2.gz RQKOVOFPVBSZSZ-VXGBXAGGSA-N 1 3 225.380 1.188 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902458528 584610866 /nfs/dbraw/zinc/61/08/66/584610866.db2.gz VOKJLUOZLRFZGH-IEECTRCBSA-N 1 3 208.349 1.892 20 0 BDADHO C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468783 584615650 /nfs/dbraw/zinc/61/56/50/584615650.db2.gz VNFWWUHNTLXKQT-NAWOPXAZSA-N 1 3 206.333 1.658 20 0 BDADHO C[C@@H]1CC=CC[C@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902504269 584621522 /nfs/dbraw/zinc/62/15/22/584621522.db2.gz NGEXVCZRZVAHNH-JPVAKHQASA-N 1 3 232.371 1.927 20 0 BDADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CN[C@H]1[C@H]3C2 ZINC000902504269 584621524 /nfs/dbraw/zinc/62/15/24/584621524.db2.gz NGEXVCZRZVAHNH-JPVAKHQASA-N 1 3 232.371 1.927 20 0 BDADHO Cc1ncccc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000902511094 584622893 /nfs/dbraw/zinc/62/28/93/584622893.db2.gz BUTPTIXSYTWZKY-WDEREUQCSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000902511094 584622894 /nfs/dbraw/zinc/62/28/94/584622894.db2.gz BUTPTIXSYTWZKY-WDEREUQCSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ncccc1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902512731 584623529 /nfs/dbraw/zinc/62/35/29/584623529.db2.gz IZYYKKBWWRVAAP-ZIAGYGMSSA-N 1 3 245.370 1.792 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000902513892 584629184 /nfs/dbraw/zinc/62/91/84/584629184.db2.gz PESVUIRWWLEFFD-KBPBESRZSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ncccc1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000902513892 584629186 /nfs/dbraw/zinc/62/91/86/584629186.db2.gz PESVUIRWWLEFFD-KBPBESRZSA-N 1 3 233.359 1.650 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOC1CCSCC1 ZINC000902521395 584631498 /nfs/dbraw/zinc/63/14/98/584631498.db2.gz RXUXKUPZUODSHN-WDEREUQCSA-N 1 3 246.420 1.614 20 0 BDADHO C[C@H](CO)[C@@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464077 584767318 /nfs/dbraw/zinc/76/73/18/584767318.db2.gz YTUNUXHDOPTOQO-MQYQWHSLSA-N 1 3 240.391 1.325 20 0 BDADHO CC[C@@H]1C[C@H]1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903464943 584767650 /nfs/dbraw/zinc/76/76/50/584767650.db2.gz ZWKZIOGTECERQO-XQHKEYJVSA-N 1 3 208.349 1.846 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@]2(C1)CCCOC2 ZINC000903464376 584767960 /nfs/dbraw/zinc/76/79/60/584767960.db2.gz LBMVATMMDMXMFV-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903454448 584773262 /nfs/dbraw/zinc/77/32/62/584773262.db2.gz ZWSXQYQELAFJEZ-GXTWGEPZSA-N 1 3 238.375 1.629 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903469956 584774760 /nfs/dbraw/zinc/77/47/60/584774760.db2.gz DPWXGJMTZDAEKS-GFCCVEGCSA-N 1 3 226.364 1.677 20 0 BDADHO C=C/C=C\CC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470997 584775197 /nfs/dbraw/zinc/77/51/97/584775197.db2.gz GDAMBFUJTIKWEP-VSQXVHSFSA-N 1 3 206.333 1.993 20 0 BDADHO Cc1cnc([C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903499659 584779977 /nfs/dbraw/zinc/77/99/77/584779977.db2.gz LKQZWZIWQUYITC-ADEWGFFLSA-N 1 3 237.347 1.961 20 0 BDADHO CC(C)(C)OC[C@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000903563677 584782038 /nfs/dbraw/zinc/78/20/38/584782038.db2.gz IOEFPVSRINWHQK-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO OCCCCN(C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903729567 584793127 /nfs/dbraw/zinc/79/31/27/584793127.db2.gz OVSCNDGNWCSIBU-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO CC1CC(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000903775829 584799396 /nfs/dbraw/zinc/79/93/96/584799396.db2.gz OUMLBJHMCZTCNJ-LLZFXZEUSA-N 1 3 222.376 1.964 20 0 BDADHO FC1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783432 584800383 /nfs/dbraw/zinc/80/03/83/584800383.db2.gz YRUONBREWIOLHL-STQMWFEESA-N 1 3 242.338 1.189 20 0 BDADHO COCCCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903855299 584808593 /nfs/dbraw/zinc/80/85/93/584808593.db2.gz MJNAPBMVCDNBJU-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO Cc1c(C[C@H](C[NH3+])CN(C)C(C)C)cnn1C ZINC000903873632 584816121 /nfs/dbraw/zinc/81/61/21/584816121.db2.gz VXZSVQWMXPNBCD-GFCCVEGCSA-N 1 3 238.379 1.186 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903874478 584816361 /nfs/dbraw/zinc/81/63/61/584816361.db2.gz BQXLDRJMAQMPEU-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CNCCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903874478 584816363 /nfs/dbraw/zinc/81/63/63/584816363.db2.gz BQXLDRJMAQMPEU-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+]C[C@@H](N)CC(F)F ZINC000903923146 584823468 /nfs/dbraw/zinc/82/34/68/584823468.db2.gz MNHOASYSHNPUSF-WDEREUQCSA-N 1 3 249.349 1.433 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]([NH3+])CC(F)F ZINC000903932815 584824959 /nfs/dbraw/zinc/82/49/59/584824959.db2.gz WBKNGIMSPXGKBU-ZJUUUORDSA-N 1 3 243.301 1.585 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CNC[C@H]2C)CCO1 ZINC000903963713 584833585 /nfs/dbraw/zinc/83/35/85/584833585.db2.gz GQBSOCMSMBEXFO-FDYHWXHSSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@]1(C[NH+]2CCC(CO)CC2)CCCNC1 ZINC000904306693 584862018 /nfs/dbraw/zinc/86/20/18/584862018.db2.gz CYSFISOCADANRR-CYBMUJFWSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904321940 584864752 /nfs/dbraw/zinc/86/47/52/584864752.db2.gz KXNCWNHRFDHVNY-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000904321940 584864753 /nfs/dbraw/zinc/86/47/53/584864753.db2.gz KXNCWNHRFDHVNY-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)[C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328238 584865551 /nfs/dbraw/zinc/86/55/51/584865551.db2.gz BSFIKTOZJSTUDJ-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904328238 584865552 /nfs/dbraw/zinc/86/55/52/584865552.db2.gz BSFIKTOZJSTUDJ-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904328238 584865553 /nfs/dbraw/zinc/86/55/53/584865553.db2.gz BSFIKTOZJSTUDJ-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CCC[C@@H]1CCO ZINC000904372233 584873296 /nfs/dbraw/zinc/87/32/96/584873296.db2.gz ZTOUIACKHWFLQX-CHWSQXEVSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CCC[C@@H]1CCO ZINC000904372233 584873298 /nfs/dbraw/zinc/87/32/98/584873298.db2.gz ZTOUIACKHWFLQX-CHWSQXEVSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@H](CN1CCNCC[NH2+]CC1)c1ccccc1 ZINC000904397063 584875320 /nfs/dbraw/zinc/87/53/20/584875320.db2.gz XQRKOUMWIPUWJH-CQSZACIVSA-N 1 3 247.386 1.285 20 0 BDADHO C[C@]12COC[C@@H]1C[N@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379812 584876841 /nfs/dbraw/zinc/87/68/41/584876841.db2.gz XWFZFFVFOUWFGU-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@@H]1C[N@@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379812 584876842 /nfs/dbraw/zinc/87/68/42/584876842.db2.gz XWFZFFVFOUWFGU-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO [NH3+][C@H]1C[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000904385630 584877720 /nfs/dbraw/zinc/87/77/20/584877720.db2.gz AJXWSOSIHQUFFS-WAAGHKOSSA-N 1 3 221.304 1.379 20 0 BDADHO C[C@H]1CN(Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC000904410550 584879056 /nfs/dbraw/zinc/87/90/56/584879056.db2.gz HJZBBNQLASQRGS-CMPLNLGQSA-N 1 3 234.347 1.081 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838862564 585076041 /nfs/dbraw/zinc/07/60/41/585076041.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 1 3 226.364 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838862564 585076042 /nfs/dbraw/zinc/07/60/42/585076042.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838862564 585076043 /nfs/dbraw/zinc/07/60/43/585076043.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838862564 585076044 /nfs/dbraw/zinc/07/60/44/585076044.db2.gz KTBYRPWAGLWNTA-WCQYABFASA-N 1 3 226.364 1.031 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@H](O)C2CC2)CC1 ZINC000838864392 585076212 /nfs/dbraw/zinc/07/62/12/585076212.db2.gz SZDYPKWXFUUUAR-AWEZNQCLSA-N 1 3 240.391 1.564 20 0 BDADHO C(CN1CC[C@H]([NH+]2CCCC2)C1)N1CCCC1 ZINC000741753835 585117673 /nfs/dbraw/zinc/11/76/73/585117673.db2.gz CBKOAJDTYQDXSM-AWEZNQCLSA-N 1 3 237.391 1.252 20 0 BDADHO CC(=O)CC[N@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000746666902 585171907 /nfs/dbraw/zinc/17/19/07/585171907.db2.gz DBRMDECNINLFNQ-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO CC(=O)CC[N@@H+]1CC[C@H](CN(C)CC2CC2)C1 ZINC000746666902 585171908 /nfs/dbraw/zinc/17/19/08/585171908.db2.gz DBRMDECNINLFNQ-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1CC[NH+]1CCCC1 ZINC000768770513 585543354 /nfs/dbraw/zinc/54/33/54/585543354.db2.gz HNIMBBVEVZZZMV-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H](CCO)[NH2+]CCCN1CCCC[C@H]1C ZINC000779384791 585752701 /nfs/dbraw/zinc/75/27/01/585752701.db2.gz OBIVGNZGDQXWNW-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CCO)NCCC[N@@H+]1CCCC[C@H]1C ZINC000779384791 585752702 /nfs/dbraw/zinc/75/27/02/585752702.db2.gz OBIVGNZGDQXWNW-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CCO)NCCC[N@H+]1CCCC[C@H]1C ZINC000779384791 585752703 /nfs/dbraw/zinc/75/27/03/585752703.db2.gz OBIVGNZGDQXWNW-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@@H](CCO)[NH2+]CCCN1CCCC[C@H]1C ZINC000779384793 585752782 /nfs/dbraw/zinc/75/27/82/585752782.db2.gz OBIVGNZGDQXWNW-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@@H](CCO)NCCC[N@@H+]1CCCC[C@H]1C ZINC000779384793 585752783 /nfs/dbraw/zinc/75/27/83/585752783.db2.gz OBIVGNZGDQXWNW-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@@H](CCO)NCCC[N@H+]1CCCC[C@H]1C ZINC000779384793 585752784 /nfs/dbraw/zinc/75/27/84/585752784.db2.gz OBIVGNZGDQXWNW-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO c1ccc2c(c1)CC[C@@H]2CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000780284990 585776799 /nfs/dbraw/zinc/77/67/99/585776799.db2.gz HBAFOMPKTKAWJC-KFWWJZLASA-N 1 3 242.366 1.868 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621521 585823056 /nfs/dbraw/zinc/82/30/56/585823056.db2.gz SQYTWPPSEPWCJY-MCIONIFRSA-N 1 3 238.375 1.175 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782621521 585823057 /nfs/dbraw/zinc/82/30/57/585823057.db2.gz SQYTWPPSEPWCJY-MCIONIFRSA-N 1 3 238.375 1.175 20 0 BDADHO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788615648 585927898 /nfs/dbraw/zinc/92/78/98/585927898.db2.gz WFWGXOOZLGTWFM-RYUDHWBXSA-N 1 3 249.358 1.922 20 0 BDADHO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788615648 585927899 /nfs/dbraw/zinc/92/78/99/585927899.db2.gz WFWGXOOZLGTWFM-RYUDHWBXSA-N 1 3 249.358 1.922 20 0 BDADHO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N)n1 ZINC000811811441 586567333 /nfs/dbraw/zinc/56/73/33/586567333.db2.gz BVKJUAUVGGCPCP-ZJUUUORDSA-N 1 3 247.346 1.404 20 0 BDADHO Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N)n1 ZINC000811811441 586567334 /nfs/dbraw/zinc/56/73/34/586567334.db2.gz BVKJUAUVGGCPCP-ZJUUUORDSA-N 1 3 247.346 1.404 20 0 BDADHO C[C@@H](NCCN1CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912362 586831408 /nfs/dbraw/zinc/83/14/08/586831408.db2.gz GJFOLGAYJMAQTG-YNEHKIRRSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C)C1 ZINC000817888103 586831810 /nfs/dbraw/zinc/83/18/10/586831810.db2.gz APGVWMCURJWDGY-NWANDNLSSA-N 1 3 247.386 1.239 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CCN(C)C1 ZINC000817888103 586831811 /nfs/dbraw/zinc/83/18/11/586831811.db2.gz APGVWMCURJWDGY-NWANDNLSSA-N 1 3 247.386 1.239 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817893309 586833707 /nfs/dbraw/zinc/83/37/07/586833707.db2.gz RBFMTAFRCZXUAQ-MBNYWOFBSA-N 1 3 236.359 1.744 20 0 BDADHO CS[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000817897161 586834924 /nfs/dbraw/zinc/83/49/24/586834924.db2.gz GJTQOTPHOZWMPD-NNYUYHANSA-N 1 3 228.405 1.858 20 0 BDADHO CSC(C)(C)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000817897905 586835071 /nfs/dbraw/zinc/83/50/71/586835071.db2.gz APFOJIYTDNICAK-VHSXEESVSA-N 1 3 216.394 1.716 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000817904123 586836968 /nfs/dbraw/zinc/83/69/68/586836968.db2.gz UZBGNCXUQDINIC-AVGNSLFASA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000817904123 586836970 /nfs/dbraw/zinc/83/69/70/586836970.db2.gz UZBGNCXUQDINIC-AVGNSLFASA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H](NCCN1CCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912783 586837818 /nfs/dbraw/zinc/83/78/18/586837818.db2.gz IONVZQXFYKGTBY-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCC[C@@H]1C ZINC000817914431 586839124 /nfs/dbraw/zinc/83/91/24/586839124.db2.gz XGAOJDJQCFIIQM-TUAOUCFPSA-N 1 3 213.369 1.186 20 0 BDADHO Cn1nccc1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000817922588 586840248 /nfs/dbraw/zinc/84/02/48/586840248.db2.gz HONCEZPOKZNKPN-OLZOCXBDSA-N 1 3 236.363 1.212 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000817926670 586841082 /nfs/dbraw/zinc/84/10/82/586841082.db2.gz RBFMTAFRCZXUAQ-OBJOEFQTSA-N 1 3 236.359 1.744 20 0 BDADHO CC1(C[NH2+][C@H]2CCCCC[C@H]2N)OCCCO1 ZINC000817926414 586841264 /nfs/dbraw/zinc/84/12/64/586841264.db2.gz IFIGTENZPAYTAA-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC=CO1 ZINC000817924869 586841276 /nfs/dbraw/zinc/84/12/76/586841276.db2.gz ZPQOUIAKIIOGDZ-FRRDWIJNSA-N 1 3 224.348 1.657 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000817924869 586841277 /nfs/dbraw/zinc/84/12/77/586841277.db2.gz ZPQOUIAKIIOGDZ-FRRDWIJNSA-N 1 3 224.348 1.657 20 0 BDADHO C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000817928621 586842031 /nfs/dbraw/zinc/84/20/31/586842031.db2.gz ZEROTPHYRUURRK-UPJWGTAASA-N 1 3 208.349 1.907 20 0 BDADHO CCc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000817928931 586842464 /nfs/dbraw/zinc/84/24/64/586842464.db2.gz IJZXWWPKRMZZBP-SOUVJXGZSA-N 1 3 248.370 1.752 20 0 BDADHO CCCC[NH+]1CCC(NC[C@@H](O)C2CC2)CC1 ZINC000819042477 586926627 /nfs/dbraw/zinc/92/66/27/586926627.db2.gz IRBJOICSRCWLMA-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO O[C@@H](CNC1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000819355004 586956430 /nfs/dbraw/zinc/95/64/30/586956430.db2.gz ONBRLSJXRIIDEB-AWEZNQCLSA-N 1 3 238.375 1.364 20 0 BDADHO [NH3+]CCCN1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000841007338 587935068 /nfs/dbraw/zinc/93/50/68/587935068.db2.gz PHILTCYFODETEY-CABCVRRESA-N 1 3 248.370 1.923 20 0 BDADHO CC[C@@H]1C[C@H](CNC[C@H]2CCCC[NH2+]2)CCO1 ZINC000841032320 587936921 /nfs/dbraw/zinc/93/69/21/587936921.db2.gz CKGNAYPITSMKOK-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CCCCC[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000841088389 587943160 /nfs/dbraw/zinc/94/31/60/587943160.db2.gz ZULYAENZMJQNLY-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO CCc1nc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)co1 ZINC000843339839 588100644 /nfs/dbraw/zinc/10/06/44/588100644.db2.gz HHXIZDXEXDXIQC-IJLUTSLNSA-N 1 3 249.358 1.715 20 0 BDADHO CCCCOC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000843356486 588102983 /nfs/dbraw/zinc/10/29/83/588102983.db2.gz RVKKYUYISFEFSR-CYBMUJFWSA-N 1 3 244.379 1.683 20 0 BDADHO CCCCOC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843365391 588104321 /nfs/dbraw/zinc/10/43/21/588104321.db2.gz GSCUMRDPJQXNLH-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCF)C2)C1 ZINC000846224775 588261652 /nfs/dbraw/zinc/26/16/52/588261652.db2.gz DFOXRSWUQNQLNK-UTUOFQBUSA-N 1 3 230.327 1.174 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOc2cccnc2)C1 ZINC000848718123 588408023 /nfs/dbraw/zinc/40/80/23/588408023.db2.gz YHRSMEYSTGSOCU-RYUDHWBXSA-N 1 3 235.331 1.320 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000848719563 588408669 /nfs/dbraw/zinc/40/86/69/588408669.db2.gz JUDUSSFQUKHJLZ-GRYCIOLGSA-N 1 3 238.331 1.481 20 0 BDADHO C[C@@H]1CCN(CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849004714 588432106 /nfs/dbraw/zinc/43/21/06/588432106.db2.gz WYTMEWWWUMOPIJ-SNVBAGLBSA-N 1 3 226.368 1.241 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000849027883 588441278 /nfs/dbraw/zinc/44/12/78/588441278.db2.gz OEAJITVUUHPNLM-LBPRGKRZSA-N 1 3 238.379 1.479 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCCCCC1)CN(C)C ZINC000849030449 588442535 /nfs/dbraw/zinc/44/25/35/588442535.db2.gz ONVFLWQDDHJKLN-GFCCVEGCSA-N 1 3 240.395 1.584 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC12CCC2 ZINC000851990827 588653215 /nfs/dbraw/zinc/65/32/15/588653215.db2.gz XFBQWPYQXVXVFL-CYBMUJFWSA-N 1 3 240.391 1.706 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCC12CCC2 ZINC000851990827 588653216 /nfs/dbraw/zinc/65/32/16/588653216.db2.gz XFBQWPYQXVXVFL-CYBMUJFWSA-N 1 3 240.391 1.706 20 0 BDADHO CCCCCCN(C)CC(=O)NCC[NH+](C)C ZINC000118530278 589177345 /nfs/dbraw/zinc/17/73/45/589177345.db2.gz XAUZESPLAWFDAX-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCO[C@@H](CN1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000863539546 589296793 /nfs/dbraw/zinc/29/67/93/589296793.db2.gz DZXXVLIUFHQNGS-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)C1CC1 ZINC000863539546 589296794 /nfs/dbraw/zinc/29/67/94/589296794.db2.gz DZXXVLIUFHQNGS-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H](C[N@H+]1CCC[C@@H](CN)C1)C1CC1 ZINC000863539546 589296796 /nfs/dbraw/zinc/29/67/96/589296796.db2.gz DZXXVLIUFHQNGS-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548501 589298440 /nfs/dbraw/zinc/29/84/40/589298440.db2.gz YIICMUKXWPJZTG-FRRDWIJNSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)CN(C)C ZINC000864451157 589364521 /nfs/dbraw/zinc/36/45/21/589364521.db2.gz DMIPCNNCTBJDPT-ZJUUUORDSA-N 1 3 226.368 1.097 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000864453547 589366019 /nfs/dbraw/zinc/36/60/19/589366019.db2.gz NCWITHIGAKWENK-LLVKDONJSA-N 1 3 240.395 1.773 20 0 BDADHO [NH3+]CCCN1CCC[C@H](OC2CCC2)CC1 ZINC000866697755 589512783 /nfs/dbraw/zinc/51/27/83/589512783.db2.gz XXBLKELUOLBVLO-ZDUSSCGKSA-N 1 3 226.364 1.759 20 0 BDADHO NCCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697755 589512784 /nfs/dbraw/zinc/51/27/84/589512784.db2.gz XXBLKELUOLBVLO-ZDUSSCGKSA-N 1 3 226.364 1.759 20 0 BDADHO NCCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000866697755 589512786 /nfs/dbraw/zinc/51/27/86/589512786.db2.gz XXBLKELUOLBVLO-ZDUSSCGKSA-N 1 3 226.364 1.759 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872144443 589884525 /nfs/dbraw/zinc/88/45/25/589884525.db2.gz ZBOHKZGUIPWBBQ-XQQFMLRXSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCCS1 ZINC000873244633 590006457 /nfs/dbraw/zinc/00/64/57/590006457.db2.gz TZTFPWDRNCXYJU-HBNTYKKESA-N 1 3 216.394 1.988 20 0 BDADHO Cc1cc([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000873248632 590007436 /nfs/dbraw/zinc/00/74/36/590007436.db2.gz CGPMQLSZBGMOBE-LPEHRKFASA-N 1 3 209.293 1.371 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1c2ccccc2CN1C ZINC000873263910 590014924 /nfs/dbraw/zinc/01/49/24/590014924.db2.gz AGQJRUZVYXUPQE-YWPYICTPSA-N 1 3 247.386 1.889 20 0 BDADHO C[C@@H](N[C@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269182 590015305 /nfs/dbraw/zinc/01/53/05/590015305.db2.gz DLFSHRFYDPTBNJ-LOWVWBTDSA-N 1 3 248.374 1.867 20 0 BDADHO C[C@@H](N[C@@H](C)c1nccn1C)C1CC[NH2+]CC1 ZINC000873267597 590015768 /nfs/dbraw/zinc/01/57/68/590015768.db2.gz HCCJTLASTHQANU-MNOVXSKESA-N 1 3 236.363 1.459 20 0 BDADHO COCC(C)(C)CC[NH2+][C@H](C)C[C@@H](C)N ZINC000873281284 590018733 /nfs/dbraw/zinc/01/87/33/590018733.db2.gz HLCHYKHPSGHEMJ-GHMZBOCLSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCC1CCC1 ZINC000873283121 590019752 /nfs/dbraw/zinc/01/97/52/590019752.db2.gz ZDEWKWABDZUCTH-CYZMBNFOSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCC1CCC1 ZINC000873283122 590019826 /nfs/dbraw/zinc/01/98/26/590019826.db2.gz ZDEWKWABDZUCTH-DRZSPHRISA-N 1 3 226.364 1.519 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138390 590290916 /nfs/dbraw/zinc/29/09/16/590290916.db2.gz XJCUSZXAQLYWOX-YNEHKIRRSA-N 1 3 247.342 1.438 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134362 590291058 /nfs/dbraw/zinc/29/10/58/590291058.db2.gz QLSCJSFROSLEGO-XQQFMLRXSA-N 1 3 247.342 1.423 20 0 BDADHO C[C@H](NC1CC1)C(=O)N(C)CCCCCC[NH3+] ZINC000877438754 590327921 /nfs/dbraw/zinc/32/79/21/590327921.db2.gz VUPLRGQZJAQMLQ-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCCN(C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877438402 590328297 /nfs/dbraw/zinc/32/82/97/590328297.db2.gz NZDAPFFYCUKDTQ-UHFFFAOYSA-N 1 3 243.395 1.306 20 0 BDADHO CC[C@](C)(CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877743482 590411235 /nfs/dbraw/zinc/41/12/35/590411235.db2.gz WGQPEGDZYBIFOT-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@](C)(CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877743482 590411237 /nfs/dbraw/zinc/41/12/37/590411237.db2.gz WGQPEGDZYBIFOT-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000127280847 590613021 /nfs/dbraw/zinc/61/30/21/590613021.db2.gz OOLGGHSYIAHXEP-AXFHLTTASA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@@H](C)NC(=O)CCN[C@H]1CCC[NH2+]CC1 ZINC000129159540 591260856 /nfs/dbraw/zinc/26/08/56/591260856.db2.gz FHPSHTVIXQJRPV-NEPJUHHUSA-N 1 3 241.379 1.023 20 0 BDADHO CC[NH+](CC)CC[C@@H](CO)NC1CCCC1 ZINC000883161208 591557209 /nfs/dbraw/zinc/55/72/09/591557209.db2.gz LXAQRBLHXDDFCV-ZDUSSCGKSA-N 1 3 228.380 1.611 20 0 BDADHO CCN1CC[C@H]1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000883354095 591624645 /nfs/dbraw/zinc/62/46/45/591624645.db2.gz KOZOXNPXFWJGDI-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000883354095 591624647 /nfs/dbraw/zinc/62/46/47/591624647.db2.gz KOZOXNPXFWJGDI-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H]1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883354095 591624649 /nfs/dbraw/zinc/62/46/49/591624649.db2.gz KOZOXNPXFWJGDI-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@](C[NH3+])(NC[C@H]1CCC2(CCC2)O1)C1CC1 ZINC000883418983 591654099 /nfs/dbraw/zinc/65/40/99/591654099.db2.gz XGOCHRQUIXXYFL-OLZOCXBDSA-N 1 3 238.375 1.805 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884037833 591818462 /nfs/dbraw/zinc/81/84/62/591818462.db2.gz NHVYPPVBIAYUNC-ZANVPECISA-N 1 3 247.342 1.772 20 0 BDADHO CC[C@H](O)C[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886710988 592308264 /nfs/dbraw/zinc/30/82/64/592308264.db2.gz KVZFARAOJNBHGZ-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO COC(=O)CCN(C[C@H]1CCC[NH2+]C1)C(C)C ZINC000220374074 592308604 /nfs/dbraw/zinc/30/86/04/592308604.db2.gz AUGNRNKPIVKBJK-LBPRGKRZSA-N 1 3 242.363 1.260 20 0 BDADHO COC(=O)CC[N@H+](C[C@H]1CCCNC1)C(C)C ZINC000220374074 592308607 /nfs/dbraw/zinc/30/86/07/592308607.db2.gz AUGNRNKPIVKBJK-LBPRGKRZSA-N 1 3 242.363 1.260 20 0 BDADHO COC(=O)CC[N@@H+](C[C@H]1CCCNC1)C(C)C ZINC000220374074 592308612 /nfs/dbraw/zinc/30/86/12/592308612.db2.gz AUGNRNKPIVKBJK-LBPRGKRZSA-N 1 3 242.363 1.260 20 0 BDADHO C([NH2+][C@H]1CCCSC1)[C@@H]1CCCNC1 ZINC000220680154 592319548 /nfs/dbraw/zinc/31/95/48/592319548.db2.gz HJSJUFFZCCTVDK-MNOVXSKESA-N 1 3 214.378 1.471 20 0 BDADHO C(N[C@H]1CCCSC1)[C@@H]1CCC[NH2+]C1 ZINC000220680154 592319550 /nfs/dbraw/zinc/31/95/50/592319550.db2.gz HJSJUFFZCCTVDK-MNOVXSKESA-N 1 3 214.378 1.471 20 0 BDADHO C([C@@H]1C[C@@]12CCOC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832967 592356686 /nfs/dbraw/zinc/35/66/86/592356686.db2.gz QRANYWUFSKQWBS-MELADBBJSA-N 1 3 236.359 1.098 20 0 BDADHO CO[C@@H](C)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134460 592449544 /nfs/dbraw/zinc/44/95/44/592449544.db2.gz KAXHYOGAJARLKV-OLZOCXBDSA-N 1 3 249.358 1.627 20 0 BDADHO CS[C@@H]1CC[C@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC001579366915 985862077 /nfs/dbraw/zinc/86/20/77/985862077.db2.gz GJQJFAMWCBDFJK-LMLFDSFASA-N 1 3 214.378 1.326 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCNC23CCC3)CCO1 ZINC000925706121 634387549 /nfs/dbraw/zinc/38/75/49/634387549.db2.gz LSJOFJHMOBMHSR-UPJWGTAASA-N 1 3 238.375 1.818 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC23CCC3)CCO1 ZINC000925706123 634389190 /nfs/dbraw/zinc/38/91/90/634389190.db2.gz LSJOFJHMOBMHSR-YNEHKIRRSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@@H](C[NH2+][C@H]1COCC1(C)C)CN(C)C ZINC000312991154 634425619 /nfs/dbraw/zinc/42/56/19/634425619.db2.gz CRDTTXWVFQHORN-QWRGUYRKSA-N 1 3 214.353 1.199 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925715654 634442830 /nfs/dbraw/zinc/44/28/30/634442830.db2.gz GNKVQDSUTSPEIS-ZDEQEGDKSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C[C@H]1CN ZINC000253179354 634516169 /nfs/dbraw/zinc/51/61/69/634516169.db2.gz CUAWNJXQLKRCRC-JHJVBQTASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C[C@H]1CN ZINC000253179354 634516179 /nfs/dbraw/zinc/51/61/79/634516179.db2.gz CUAWNJXQLKRCRC-JHJVBQTASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccns1 ZINC000925731426 634562682 /nfs/dbraw/zinc/56/26/82/634562682.db2.gz KKTMGNNETYFEEM-JQWIXIFHSA-N 1 3 239.388 1.663 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000925858780 635552046 /nfs/dbraw/zinc/55/20/46/635552046.db2.gz OVRMGWXOAQAVKH-SRVKXCTJSA-N 1 3 214.353 1.255 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000036231120 635554121 /nfs/dbraw/zinc/55/41/21/635554121.db2.gz SIKLNFQMZFYTHT-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO Cc1ccc(NCCN[C@@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000925878007 635604277 /nfs/dbraw/zinc/60/42/77/635604277.db2.gz OQIILEGTYDBHQX-STQMWFEESA-N 1 3 248.374 1.390 20 0 BDADHO C[N@@H+]1C[C@@H]2CN(CC3=CCCC3)C[C@]2(C)C1 ZINC000933734393 631495489 /nfs/dbraw/zinc/49/54/89/631495489.db2.gz RWRTWBMVJPVQQI-KGLIPLIRSA-N 1 3 220.360 1.980 20 0 BDADHO C[N@H+]1C[C@@H]2CN(CC3=CCCC3)C[C@]2(C)C1 ZINC000933734393 631495494 /nfs/dbraw/zinc/49/54/94/631495494.db2.gz RWRTWBMVJPVQQI-KGLIPLIRSA-N 1 3 220.360 1.980 20 0 BDADHO CCN(CC)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000161405516 632001632 /nfs/dbraw/zinc/00/16/32/632001632.db2.gz XWAJZVQOXULQLE-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO CNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000052020236 632043561 /nfs/dbraw/zinc/04/35/61/632043561.db2.gz SJKLXDKELHPPHL-CMPLNLGQSA-N 1 3 226.368 1.241 20 0 BDADHO C[C@@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227536199 632429807 /nfs/dbraw/zinc/42/98/07/632429807.db2.gz USSFRRDPOWPLCP-GGZOMVNGSA-N 1 3 206.289 1.102 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C1CCC1 ZINC000926552955 632490568 /nfs/dbraw/zinc/49/05/68/632490568.db2.gz PUAZNIPYGUKWEZ-WJLOJVBCSA-N 1 3 238.375 1.077 20 0 BDADHO CC[C@H](C)CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056714 632631894 /nfs/dbraw/zinc/63/18/94/632631894.db2.gz ZMYCQXJMJYRZQZ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCCC1 ZINC000328544487 633773346 /nfs/dbraw/zinc/77/33/46/633773346.db2.gz LNEXTYAFHQLHPT-QSLWVIQJSA-N 1 3 220.360 1.763 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCNc2ccccc2)C12CCC2 ZINC000925537574 633939650 /nfs/dbraw/zinc/93/96/50/633939650.db2.gz MHJUGFUDEALUNY-KBPBESRZSA-N 1 3 245.370 1.958 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCNc2ccccc2)C12CCC2 ZINC000925537577 633940073 /nfs/dbraw/zinc/94/00/73/633940073.db2.gz MHJUGFUDEALUNY-ZIAGYGMSSA-N 1 3 245.370 1.958 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000309955500 633978069 /nfs/dbraw/zinc/97/80/69/633978069.db2.gz IBIHXAOATKLVJS-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616603 634163410 /nfs/dbraw/zinc/16/34/10/634163410.db2.gz SFNANMGOXGSCJA-CYZMBNFOSA-N 1 3 246.358 1.127 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616603 634163419 /nfs/dbraw/zinc/16/34/19/634163419.db2.gz SFNANMGOXGSCJA-CYZMBNFOSA-N 1 3 246.358 1.127 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925695724 634348869 /nfs/dbraw/zinc/34/88/69/634348869.db2.gz WFJFKOVHDYMBSL-YNEHKIRRSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1ncc[nH]1 ZINC000925796491 635333803 /nfs/dbraw/zinc/33/38/03/635333803.db2.gz RKNHXKZRAKRPPF-OUAUKWLOSA-N 1 3 222.336 1.306 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548503 636718483 /nfs/dbraw/zinc/71/84/83/636718483.db2.gz YIICMUKXWPJZTG-UPJWGTAASA-N 1 3 238.375 1.676 20 0 BDADHO CCO[C@H](CN[C@@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000926960869 636972836 /nfs/dbraw/zinc/97/28/36/636972836.db2.gz NNAVWDGLXFLQEM-YNEHKIRRSA-N 1 3 244.379 1.110 20 0 BDADHO [NH3+]Cc1cccc(NC(=O)[C@]23C[C@H]2CCCN3)c1 ZINC000911648885 639703803 /nfs/dbraw/zinc/70/38/03/639703803.db2.gz NFYKXVDHGWEURY-RISCZKNCSA-N 1 3 245.326 1.226 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000911764468 639791075 /nfs/dbraw/zinc/79/10/75/639791075.db2.gz TWNRTKMVXWHCPA-NEPJUHHUSA-N 1 3 243.395 1.254 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911831621 639842799 /nfs/dbraw/zinc/84/27/99/639842799.db2.gz LWIAPPFGFHEDIA-DMDPSCGWSA-N 1 3 243.395 1.240 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156075902 640130555 /nfs/dbraw/zinc/13/05/55/640130555.db2.gz IZLQCRPEUYXUOL-YIYPIFLZSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156075902 640130563 /nfs/dbraw/zinc/13/05/63/640130563.db2.gz IZLQCRPEUYXUOL-YIYPIFLZSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@H](CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)OC ZINC000931317051 640142934 /nfs/dbraw/zinc/14/29/34/640142934.db2.gz MNQAMVPLZCLQRE-MGPQQGTHSA-N 1 3 240.391 1.685 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2C1 ZINC000931437024 640202554 /nfs/dbraw/zinc/20/25/54/640202554.db2.gz CRNMXMVMTAKNJX-NEPJUHHUSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C3CCCC3)C[C@@H]2C1 ZINC000931437024 640202562 /nfs/dbraw/zinc/20/25/62/640202562.db2.gz CRNMXMVMTAKNJX-NEPJUHHUSA-N 1 3 208.349 1.813 20 0 BDADHO CC[C@@H](CO)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931763351 640356966 /nfs/dbraw/zinc/35/69/66/640356966.db2.gz GLSXFWDHJLNGMF-STQMWFEESA-N 1 3 249.358 1.363 20 0 BDADHO NC[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226418961 640762304 /nfs/dbraw/zinc/76/23/04/640762304.db2.gz XBRPMDBFXRSKGG-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226418961 640762308 /nfs/dbraw/zinc/76/23/08/640762308.db2.gz XBRPMDBFXRSKGG-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CCCCCCO)C1 ZINC000226418961 640762314 /nfs/dbraw/zinc/76/23/14/640762314.db2.gz XBRPMDBFXRSKGG-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO CO[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1C ZINC000230309644 641046523 /nfs/dbraw/zinc/04/65/23/641046523.db2.gz KZCFNPJKNPMZGZ-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062861794 641099953 /nfs/dbraw/zinc/09/99/53/641099953.db2.gz UNJVYXYUYKXTNG-CQSZACIVSA-N 1 3 239.407 1.404 20 0 BDADHO CC[N@H+](CCN)CCc1cccc(F)c1 ZINC000231819448 641206910 /nfs/dbraw/zinc/20/69/10/641206910.db2.gz MYBHVESELHSNNZ-UHFFFAOYSA-N 1 3 210.296 1.649 20 0 BDADHO CC[N@@H+](CCN)CCc1cccc(F)c1 ZINC000231819448 641206924 /nfs/dbraw/zinc/20/69/24/641206924.db2.gz MYBHVESELHSNNZ-UHFFFAOYSA-N 1 3 210.296 1.649 20 0 BDADHO CSCC(C)(C)NC[C@H](O)C[NH+]1CCCC1 ZINC000934674518 641242551 /nfs/dbraw/zinc/24/25/51/641242551.db2.gz BMPISFPQKIPABB-NSHDSACASA-N 1 3 246.420 1.174 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H](O)CC2CCCC2)C1 ZINC000232148413 641248717 /nfs/dbraw/zinc/24/87/17/641248717.db2.gz MTADJXULERDSCG-OLZOCXBDSA-N 1 3 226.364 1.208 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H](O)CC1CCCC1 ZINC000232148783 641248775 /nfs/dbraw/zinc/24/87/75/641248775.db2.gz LAHRMNJAYXJZCG-XBFCOCLRSA-N 1 3 240.391 1.739 20 0 BDADHO [NH3+]CCCCCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000043428003 641564394 /nfs/dbraw/zinc/56/43/94/641564394.db2.gz XQRZNCHOJRWLSA-QWHCGFSZSA-N 1 3 226.364 1.759 20 0 BDADHO C[C@H]1C[C@@H](NCCCCCC[NH3+])c2nccn21 ZINC000843343247 643307413 /nfs/dbraw/zinc/30/74/13/643307413.db2.gz YJYVNVPLKGRDCO-NWDGAFQWSA-N 1 3 236.363 1.998 20 0 BDADHO C[C@@H]1C[C@@H](NCCCCCC[NH3+])c2nccn21 ZINC000843343249 643308142 /nfs/dbraw/zinc/30/81/42/643308142.db2.gz YJYVNVPLKGRDCO-VXGBXAGGSA-N 1 3 236.363 1.998 20 0 BDADHO C[C@H]1C[C@H](NCCCCCC[NH3+])c2nccn21 ZINC000843343248 643308757 /nfs/dbraw/zinc/30/87/57/643308757.db2.gz YJYVNVPLKGRDCO-RYUDHWBXSA-N 1 3 236.363 1.998 20 0 BDADHO CN(CCC[NH2+]C1CC1)C[C@H]1CCCOC1 ZINC000082544463 643340908 /nfs/dbraw/zinc/34/09/08/643340908.db2.gz QBDFFJORBSMJFT-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+](CCCNC1CC1)C[C@H]1CCCOC1 ZINC000082544463 643340913 /nfs/dbraw/zinc/34/09/13/643340913.db2.gz QBDFFJORBSMJFT-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CCCNC1CC1)C[C@H]1CCCOC1 ZINC000082544463 643340917 /nfs/dbraw/zinc/34/09/17/643340917.db2.gz QBDFFJORBSMJFT-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CCc2cccs2)C1 ZINC000082602402 643353091 /nfs/dbraw/zinc/35/30/91/643353091.db2.gz GPKLUXYQXOAJEU-NSHDSACASA-N 1 3 224.373 1.961 20 0 BDADHO CC(C)CO[C@H]1C[C@H](NCC[NH3+])C1(C)C ZINC000082923080 643389620 /nfs/dbraw/zinc/38/96/20/643389620.db2.gz MVOWZINHGMSRFG-QWRGUYRKSA-N 1 3 214.353 1.374 20 0 BDADHO CCC[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922820749 644110603 /nfs/dbraw/zinc/11/06/03/644110603.db2.gz JIDJALRDXCYLIM-IHRRRGAJSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922820749 644110608 /nfs/dbraw/zinc/11/06/08/644110608.db2.gz JIDJALRDXCYLIM-IHRRRGAJSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@H]1CCCCN1CCNC(NC)=[NH+]C ZINC000073840198 644137351 /nfs/dbraw/zinc/13/73/51/644137351.db2.gz KREYKNJEZHKOJS-NSHDSACASA-N 1 3 226.368 1.046 20 0 BDADHO NC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000923279786 644311125 /nfs/dbraw/zinc/31/11/25/644311125.db2.gz CXZVYNCKVAJHDD-LSDHHAIUSA-N 1 3 248.370 1.403 20 0 BDADHO NC[C@@H]1CCCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000923279786 644311127 /nfs/dbraw/zinc/31/11/27/644311127.db2.gz CXZVYNCKVAJHDD-LSDHHAIUSA-N 1 3 248.370 1.403 20 0 BDADHO CCCCCC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923281919 644315026 /nfs/dbraw/zinc/31/50/26/644315026.db2.gz JJEZVCWWSNXJMG-ZIAGYGMSSA-N 1 3 242.407 1.988 20 0 BDADHO CN(CCC[NH3+])C[C@@H](O)CCc1ccccc1 ZINC000923291525 644317299 /nfs/dbraw/zinc/31/72/99/644317299.db2.gz PHNDNMZWCQJIFL-AWEZNQCLSA-N 1 3 236.359 1.261 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923289791 644322897 /nfs/dbraw/zinc/32/28/97/644322897.db2.gz LZJFASCAHNUPAJ-IHRRRGAJSA-N 1 3 242.407 1.987 20 0 BDADHO CCOCC[C@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000923296259 644334319 /nfs/dbraw/zinc/33/43/19/644334319.db2.gz DPGSWWHIONYWAR-STQMWFEESA-N 1 3 246.395 1.079 20 0 BDADHO CCOCC[C@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000923296258 644335825 /nfs/dbraw/zinc/33/58/25/644335825.db2.gz DPGSWWHIONYWAR-QWHCGFSZSA-N 1 3 246.395 1.079 20 0 BDADHO CN(CCc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923318208 644344148 /nfs/dbraw/zinc/34/41/48/644344148.db2.gz XGXAQBIVVKAAII-DLOVCJGASA-N 1 3 240.372 1.073 20 0 BDADHO CC[C@@H](NC(CN)C[NH3+])c1ccc(F)cc1 ZINC000923351863 644369965 /nfs/dbraw/zinc/36/99/65/644369965.db2.gz OTTRLXDPEGCZNQ-GFCCVEGCSA-N 1 3 225.311 1.152 20 0 BDADHO CCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000923366199 644379535 /nfs/dbraw/zinc/37/95/35/644379535.db2.gz KXQXNEFRXHFIFV-AGIUHOORSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000923366199 644379543 /nfs/dbraw/zinc/37/95/43/644379543.db2.gz KXQXNEFRXHFIFV-AGIUHOORSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@H](O)CN(C)C1CC([NH3+])C1 ZINC000923360553 644384905 /nfs/dbraw/zinc/38/49/05/644384905.db2.gz CINQHGFOVXEDOK-BPCQOVAHSA-N 1 3 228.380 1.739 20 0 BDADHO CC(C)[C@@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923377579 644391521 /nfs/dbraw/zinc/39/15/21/644391521.db2.gz UXPQPIMJGPNFCL-ZQDZILKHSA-N 1 3 248.370 1.824 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H](O)Cc1ccccc1 ZINC000923393293 644401635 /nfs/dbraw/zinc/40/16/35/644401635.db2.gz OBIGSSRMDYBPJQ-VHDGCEQUSA-N 1 3 248.370 1.402 20 0 BDADHO FC1(F)CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923402357 644407886 /nfs/dbraw/zinc/40/78/86/644407886.db2.gz FKOJVUMKHJHJOD-JTQLQIEISA-N 1 3 246.301 1.096 20 0 BDADHO C[C@H]1CN(CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923412587 644414305 /nfs/dbraw/zinc/41/43/05/644414305.db2.gz RJFHNACUHCHJHG-AAEUAGOBSA-N 1 3 236.334 1.895 20 0 BDADHO Cc1ccc([C@H](O)CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923413189 644416449 /nfs/dbraw/zinc/41/64/49/644416449.db2.gz UPKBSCVMWONHMW-BPLDGKMQSA-N 1 3 248.370 1.555 20 0 BDADHO CC[NH+](CC)CCNc1cc(C)nc(N)n1 ZINC000084148473 644417349 /nfs/dbraw/zinc/41/73/49/644417349.db2.gz LCOFVCJZEGARPK-UHFFFAOYSA-N 1 3 223.324 1.121 20 0 BDADHO Cc1cc(CN2CC[C@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000923493495 644470123 /nfs/dbraw/zinc/47/01/23/644470123.db2.gz HFJMTEISVLECLT-ZYHUDNBSSA-N 1 3 234.347 1.202 20 0 BDADHO Cc1cc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923499551 644473714 /nfs/dbraw/zinc/47/37/14/644473714.db2.gz SNCJDJOIQJKOHV-GXSJLCMTSA-N 1 3 223.320 1.400 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089149227 644536428 /nfs/dbraw/zinc/53/64/28/644536428.db2.gz NXNMEUCUOLVXPH-RTXFEEFZSA-N 1 3 248.374 1.515 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000091391634 644624355 /nfs/dbraw/zinc/62/43/55/644624355.db2.gz BUOGDNYPNDFSHH-CYBMUJFWSA-N 1 3 235.331 1.104 20 0 BDADHO C[C@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250987492 644788392 /nfs/dbraw/zinc/78/83/92/644788392.db2.gz KUICJFAACWYWHP-YVECIDJPSA-N 1 3 226.364 1.268 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1N ZINC000251523921 644807236 /nfs/dbraw/zinc/80/72/36/644807236.db2.gz ABSJXLIEXNCAMA-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1N ZINC000251523921 644807242 /nfs/dbraw/zinc/80/72/42/644807242.db2.gz ABSJXLIEXNCAMA-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C1 ZINC000796749576 644812817 /nfs/dbraw/zinc/81/28/17/644812817.db2.gz YSEKCVPOPPREMU-IGQOVBAYSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ncc[nH]1 ZINC000844922012 645348895 /nfs/dbraw/zinc/34/88/95/645348895.db2.gz YXJDDOYHKMPQIC-SECBINFHSA-N 1 3 208.309 1.189 20 0 BDADHO CCN1CCC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925494003 645727179 /nfs/dbraw/zinc/72/71/79/645727179.db2.gz NHLUXYQMENSXIO-CHWSQXEVSA-N 1 3 237.391 1.345 20 0 BDADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)CCC ZINC000929412083 646111429 /nfs/dbraw/zinc/11/14/29/646111429.db2.gz MACNGWAFBXKFKH-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC000929412083 646111433 /nfs/dbraw/zinc/11/14/33/646111433.db2.gz MACNGWAFBXKFKH-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CC1(C[NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)COC1 ZINC000925480879 646292826 /nfs/dbraw/zinc/29/28/26/646292826.db2.gz HMBDPRILYPPNFD-WOPDTQHZSA-N 1 3 238.375 1.389 20 0 BDADHO CC[C@@H](CO)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929764166 646294347 /nfs/dbraw/zinc/29/43/47/646294347.db2.gz QMQNRHHKAKJDDS-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H](CO)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764166 646294354 /nfs/dbraw/zinc/29/43/54/646294354.db2.gz QMQNRHHKAKJDDS-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO C(CN1CCCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925531805 646318926 /nfs/dbraw/zinc/31/89/26/646318926.db2.gz AJORPXMVGWESJK-CYBMUJFWSA-N 1 3 237.391 1.347 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925609221 646358526 /nfs/dbraw/zinc/35/85/26/646358526.db2.gz QRGGMOWFICLVLB-UHXUPSOCSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@](C)(O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609221 646358533 /nfs/dbraw/zinc/35/85/33/646358533.db2.gz QRGGMOWFICLVLB-UHXUPSOCSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)[C@H]1CCCO1 ZINC000925626286 646371286 /nfs/dbraw/zinc/37/12/86/646371286.db2.gz PJBJDEDSXMOKRK-QNWHQSFQSA-N 1 3 238.375 1.804 20 0 BDADHO CC[C@@H](CO)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925643672 646384345 /nfs/dbraw/zinc/38/43/45/646384345.db2.gz GYVZRAMNGYGLDT-MJBXVCDLSA-N 1 3 240.391 1.515 20 0 BDADHO OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000925644548 646385214 /nfs/dbraw/zinc/38/52/14/646385214.db2.gz NELWLBQSPXEDCP-YNEHKIRRSA-N 1 3 238.375 1.412 20 0 BDADHO C(C[NH2+][C@@H]1CCNC12CCC2)C[C@@H]1CCOC1 ZINC000925687224 646412816 /nfs/dbraw/zinc/41/28/16/646412816.db2.gz GLIYOLTXSURJQB-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)[C@@H](O)C(C)C ZINC000925691529 646416797 /nfs/dbraw/zinc/41/67/97/646416797.db2.gz OGTKCHRUSRYMLS-RVMXOQNASA-N 1 3 240.391 1.641 20 0 BDADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711819 646437153 /nfs/dbraw/zinc/43/71/53/646437153.db2.gz SHXQHORKBVTBDF-MNOVXSKESA-N 1 3 222.336 1.593 20 0 BDADHO C(N[C@@H]1C[NH2+]CCOC1)C1CCC2(CC2)CC1 ZINC000925723817 646447434 /nfs/dbraw/zinc/44/74/34/646447434.db2.gz ZJARJMFUKDTPHZ-CYBMUJFWSA-N 1 3 238.375 1.535 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733996 646459076 /nfs/dbraw/zinc/45/90/76/646459076.db2.gz YWZHQJJPFITVBO-ZJUUUORDSA-N 1 3 211.334 1.155 20 0 BDADHO C[C@@H](NC[C@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772740 646473570 /nfs/dbraw/zinc/47/35/70/646473570.db2.gz JOTHSMFAQAFQSI-ZYHUDNBSSA-N 1 3 224.348 1.143 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)O ZINC000926211732 646590993 /nfs/dbraw/zinc/59/09/93/646590993.db2.gz FZHQQXBRWREJJN-FOSCPWQOSA-N 1 3 226.364 1.077 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000926259820 646606910 /nfs/dbraw/zinc/60/69/10/646606910.db2.gz QHHHUQAJSWHFGA-JABUTEAWSA-N 1 3 238.375 1.077 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCSC1 ZINC000926323562 646615842 /nfs/dbraw/zinc/61/58/42/646615842.db2.gz JOUVYWDZSKWCSP-FKJOKYEKSA-N 1 3 240.416 1.669 20 0 BDADHO COC/C(C)=C\C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000930555337 711696953 /nfs/dbraw/zinc/69/69/53/711696953.db2.gz MFTOZBUEUAYOLV-YLIUPVCFSA-N 1 3 238.375 1.607 20 0 BDADHO COC/C(C)=C\C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000930555337 711696954 /nfs/dbraw/zinc/69/69/54/711696954.db2.gz MFTOZBUEUAYOLV-YLIUPVCFSA-N 1 3 238.375 1.607 20 0 BDADHO CCO[C@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000701713088 711862425 /nfs/dbraw/zinc/86/24/25/711862425.db2.gz CFPXIVCRPJJGNG-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H](N)[C@H](C)C1)C(C)C ZINC000721911480 711917528 /nfs/dbraw/zinc/91/75/28/711917528.db2.gz JNJLPEZPBFLJIM-AGIUHOORSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H](N)[C@H](C)C1)C(C)C ZINC000721911480 711917529 /nfs/dbraw/zinc/91/75/29/711917529.db2.gz JNJLPEZPBFLJIM-AGIUHOORSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1)C(C)C ZINC000721913910 711918480 /nfs/dbraw/zinc/91/84/80/711918480.db2.gz QQKQFULMHPWAHT-MCIONIFRSA-N 1 3 242.407 1.964 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@@H]([C@@H](C)N)C1)C(C)C ZINC000721913910 711918481 /nfs/dbraw/zinc/91/84/81/711918481.db2.gz QQKQFULMHPWAHT-MCIONIFRSA-N 1 3 242.407 1.964 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1cscn1 ZINC000700522153 711996402 /nfs/dbraw/zinc/99/64/02/711996402.db2.gz GJSRVJRXWXKSLD-AEJSXWLSSA-N 1 3 225.361 1.921 20 0 BDADHO CC1(O)CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000703602931 712081884 /nfs/dbraw/zinc/08/18/84/712081884.db2.gz MSSUJIPRKNXHKK-GMKTYKIGSA-N 1 3 226.364 1.397 20 0 BDADHO CCCNC(=O)[C@@H](C)N(C)CCCCCC[NH3+] ZINC000710756978 712256176 /nfs/dbraw/zinc/25/61/76/712256176.db2.gz AQTMUBWYQSYQHC-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO CC[C@@H]1COC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000711105700 712280577 /nfs/dbraw/zinc/28/05/77/712280577.db2.gz CZGCUNRSOLPHCD-VXGBXAGGSA-N 1 3 228.380 1.589 20 0 BDADHO CC[C@H](O)CN(C)C1(C[NH3+])CCCCC1 ZINC000713352916 712458724 /nfs/dbraw/zinc/45/87/24/712458724.db2.gz ZPPJIHPOFDNDFQ-NSHDSACASA-N 1 3 214.353 1.351 20 0 BDADHO Cc1c[nH]nc1CN(C)C1CCC([NH3+])CC1 ZINC000715420744 712518297 /nfs/dbraw/zinc/51/82/97/712518297.db2.gz ABVOPYIEVUJISF-UHFFFAOYSA-N 1 3 222.336 1.420 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715503838 712523778 /nfs/dbraw/zinc/52/37/78/712523778.db2.gz RJWDVNGCTHMBIL-UHTWSYAYSA-N 1 3 224.348 1.225 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000381431302 710636193 /nfs/dbraw/zinc/63/61/93/710636193.db2.gz BPEDKULMRUURPF-OLZOCXBDSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@H](CO)N(C)CCC[NH+]1CCCC1 ZINC000382056250 710769978 /nfs/dbraw/zinc/76/99/78/710769978.db2.gz BOKQLDPGRBMCSZ-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CCC[C@@H]1OC ZINC000380700232 712902615 /nfs/dbraw/zinc/90/26/15/712902615.db2.gz KTGXJKROVJREHJ-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000380700232 712902616 /nfs/dbraw/zinc/90/26/16/712902616.db2.gz KTGXJKROVJREHJ-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H](CO)C1 ZINC000396570267 711354440 /nfs/dbraw/zinc/35/44/40/711354440.db2.gz AJWPNBWJWKPXCO-RNJOBUHISA-N 1 3 226.364 1.268 20 0 BDADHO COCCC1(CN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396580108 711356808 /nfs/dbraw/zinc/35/68/08/711356808.db2.gz FAQYQUOZNONOTB-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCCCCN1)C1CC1 ZINC000398144687 711403314 /nfs/dbraw/zinc/40/33/14/711403314.db2.gz XGAVMIMGVPEBHL-OLZOCXBDSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@H](CN1C[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721917002 710692047 /nfs/dbraw/zinc/69/20/47/710692047.db2.gz HDPRWQHSSZTKHC-SRVKXCTJSA-N 1 3 214.353 1.327 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCN1CCCCC1 ZINC000396662837 711362374 /nfs/dbraw/zinc/36/23/74/711362374.db2.gz HPNXKUPOVZELRN-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO CCC1(CN[C@@H]2CCC[NH2+][C@H]2C)COC1 ZINC000396705448 711365866 /nfs/dbraw/zinc/36/58/66/711365866.db2.gz JCKKCYKUPOWCMF-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCn1cccn1 ZINC000396732380 711368682 /nfs/dbraw/zinc/36/86/82/711368682.db2.gz ZJQIUIFNHDEJAT-NWDGAFQWSA-N 1 3 222.336 1.003 20 0 BDADHO C1[NH2+][C@H]2[C@H](N[C@@H]3CCCOCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000383108716 711672597 /nfs/dbraw/zinc/67/25/97/711672597.db2.gz DSMIHOMHSKCQBL-GMDXDWKASA-N 1 3 236.359 1.142 20 0 BDADHO COC[C@@H](CN1CC2CC1(C[NH3+])C2)C(C)C ZINC000721709127 711707186 /nfs/dbraw/zinc/70/71/86/711707186.db2.gz UXGUXUUENZEUFY-OTTFEQOBSA-N 1 3 226.364 1.328 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313147693 711713978 /nfs/dbraw/zinc/71/39/78/711713978.db2.gz SVKKGPINQDGLAT-VXGBXAGGSA-N 1 3 226.364 1.343 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1C[C@H](COC)C(C)C ZINC000721913692 711918278 /nfs/dbraw/zinc/91/82/78/711918278.db2.gz PNDKXAUZESOYRG-OLZOCXBDSA-N 1 3 228.380 1.589 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1C[C@H](COC)C(C)C ZINC000721913692 711918279 /nfs/dbraw/zinc/91/82/79/711918279.db2.gz PNDKXAUZESOYRG-OLZOCXBDSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CCSC1)N(C)C ZINC000700508761 711995337 /nfs/dbraw/zinc/99/53/37/711995337.db2.gz YLWHJXMYYYZGDK-VHSXEESVSA-N 1 3 202.367 1.422 20 0 BDADHO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700788969 712004840 /nfs/dbraw/zinc/00/48/40/712004840.db2.gz SKVTVEUBXNAZTB-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H]1C[N@H+](CC2CC(OC)C2)CC[C@H]1N ZINC000703909246 712093794 /nfs/dbraw/zinc/09/37/94/712093794.db2.gz YLSAMDBBCMMBOZ-PYNQCMFNSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1C[N@@H+](CC2CC(OC)C2)CC[C@H]1N ZINC000703909246 712093795 /nfs/dbraw/zinc/09/37/95/712093795.db2.gz YLSAMDBBCMMBOZ-PYNQCMFNSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1CN(CC2CC(OC)C2)CC[C@H]1[NH3+] ZINC000703909246 712093797 /nfs/dbraw/zinc/09/37/97/712093797.db2.gz YLSAMDBBCMMBOZ-PYNQCMFNSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705661421 712135017 /nfs/dbraw/zinc/13/50/17/712135017.db2.gz ZZAKUFFYOFMEAL-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO CC[C@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705661421 712135018 /nfs/dbraw/zinc/13/50/18/712135018.db2.gz ZZAKUFFYOFMEAL-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H](CCN[C@@H](C)[C@@H]1CCCCO1)[NH+](C)C ZINC000705959900 712138117 /nfs/dbraw/zinc/13/81/17/712138117.db2.gz MPKVKBKLHHIHQC-AVGNSLFASA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@@H](O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000707874145 712180228 /nfs/dbraw/zinc/18/02/28/712180228.db2.gz ZZAKUFFYOFMEAL-JHJVBQTASA-N 1 3 226.364 1.031 20 0 BDADHO CCOCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709777341 712226236 /nfs/dbraw/zinc/22/62/36/712226236.db2.gz GKVABLRCVZSDIL-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO C[C@@H](NCCCC[NH+](C)C)c1cn(C)cn1 ZINC000709971069 712236134 /nfs/dbraw/zinc/23/61/34/712236134.db2.gz WMOIGSHJACIKIL-LLVKDONJSA-N 1 3 224.352 1.413 20 0 BDADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cn(C)cn1 ZINC000710032924 712242560 /nfs/dbraw/zinc/24/25/60/712242560.db2.gz HTQYZPSCNFXFHN-LLVKDONJSA-N 1 3 236.363 1.413 20 0 BDADHO FCCN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000710260536 712249745 /nfs/dbraw/zinc/24/97/45/712249745.db2.gz HRSCTLDXZXYROF-LBPRGKRZSA-N 1 3 214.328 1.668 20 0 BDADHO C1=C[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000711683781 712317511 /nfs/dbraw/zinc/31/75/11/712317511.db2.gz FLBRLSZSNZBIJV-VZKILSJISA-N 1 3 218.344 1.539 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000379007784 712367650 /nfs/dbraw/zinc/36/76/50/712367650.db2.gz IFYCWOKJZFYWCS-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000379007784 712367652 /nfs/dbraw/zinc/36/76/52/712367652.db2.gz IFYCWOKJZFYWCS-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO C([C@@H]1CCCCO1)[N@@H+]1CCNCCC12CCC2 ZINC000713215135 712455124 /nfs/dbraw/zinc/45/51/24/712455124.db2.gz FYZUYFQDFXNQPN-ZDUSSCGKSA-N 1 3 238.375 1.774 20 0 BDADHO C([C@@H]1CCCCO1)[N@H+]1CCNCCC12CCC2 ZINC000713215135 712455125 /nfs/dbraw/zinc/45/51/25/712455125.db2.gz FYZUYFQDFXNQPN-ZDUSSCGKSA-N 1 3 238.375 1.774 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713584356 712466317 /nfs/dbraw/zinc/46/63/17/712466317.db2.gz DQEYHUSJULYXJT-XQQFMLRXSA-N 1 3 240.391 1.861 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203541 712513941 /nfs/dbraw/zinc/51/39/41/712513941.db2.gz DXJRFMCURKLRJZ-CHWSQXEVSA-N 1 3 249.358 1.750 20 0 BDADHO Cc1n[nH]c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1C ZINC000716463550 712562896 /nfs/dbraw/zinc/56/28/96/712562896.db2.gz NXSNFUGLXNCSFP-JOYOIKCWSA-N 1 3 236.363 1.599 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)C12CCC2 ZINC000717596181 712661065 /nfs/dbraw/zinc/66/10/65/712661065.db2.gz VKUOFOPPOYEKHR-UTUOFQBUSA-N 1 3 224.348 1.007 20 0 BDADHO C[C@H]([NH2+]CCN)c1ccc2c(c1)OCCCO2 ZINC000037712514 712744635 /nfs/dbraw/zinc/74/46/35/712744635.db2.gz BAEDPYBZHZHFPF-JTQLQIEISA-N 1 3 236.315 1.457 20 0 BDADHO CSCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000719297465 712804154 /nfs/dbraw/zinc/80/41/54/712804154.db2.gz CGEPICPHKLDFIL-GFCCVEGCSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@@H](C[NH3+])CN(C)[C@H]1COC(C)(C)C1 ZINC000396634019 957095038 /nfs/dbraw/zinc/09/50/38/957095038.db2.gz HCDDZNXYCUXHCB-VHSXEESVSA-N 1 3 200.326 1.081 20 0 BDADHO C[NH+](C)CC1CCN(c2cccc(N)n2)CC1 ZINC000168779775 721943845 /nfs/dbraw/zinc/94/38/45/721943845.db2.gz LQGPLZBTZYCFSE-UHFFFAOYSA-N 1 3 234.347 1.442 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(CC(C)(C)O)C1 ZINC000081571070 959550969 /nfs/dbraw/zinc/55/09/69/959550969.db2.gz JYEUXIUVMNAZMY-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(CC(C)(C)O)C1 ZINC000081571070 959550979 /nfs/dbraw/zinc/55/09/79/959550979.db2.gz JYEUXIUVMNAZMY-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+]1CC[C@@H](Oc2ccnc(N)c2)C1 ZINC001226657422 975006375 /nfs/dbraw/zinc/00/63/75/975006375.db2.gz PMCJGGFQQCGKEG-SNVBAGLBSA-N 1 3 207.277 1.137 20 0 BDADHO CC[N@H+]1CC[C@@H](Oc2ccnc(N)c2)C1 ZINC001226657422 975006379 /nfs/dbraw/zinc/00/63/79/975006379.db2.gz PMCJGGFQQCGKEG-SNVBAGLBSA-N 1 3 207.277 1.137 20 0 BDADHO O[C@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709489813 960620111 /nfs/dbraw/zinc/62/01/11/960620111.db2.gz VWCCZKQAOTVBCE-RSMQCKGYSA-N 1 3 224.348 1.163 20 0 BDADHO C[NH+](C)C1CCC(n2ccc(CN)n2)CC1 ZINC001168294912 964389360 /nfs/dbraw/zinc/38/93/60/964389360.db2.gz GOVXGVSUMOBDHA-UHFFFAOYSA-N 1 3 222.336 1.387 20 0 BDADHO CN(C(=O)[C@H](N)C(C)(C)C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161062913 964511572 /nfs/dbraw/zinc/51/15/72/964511572.db2.gz LARZZJHWSFFBIC-DCAQKATOSA-N 1 3 241.379 1.088 20 0 BDADHO C[C@@]1(O)CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374280 964994491 /nfs/dbraw/zinc/99/44/91/964994491.db2.gz YIFUKUJGBPSWJO-CQSZACIVSA-N 1 3 238.375 1.318 20 0 BDADHO CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010873 966229368 /nfs/dbraw/zinc/22/93/68/966229368.db2.gz SPUXMRDERBACBG-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO C[C@H](CC[N@@H+]1C[C@@H](N)C[C@H](O)C1)CC(C)(C)C ZINC001204955963 967257693 /nfs/dbraw/zinc/25/76/93/967257693.db2.gz MPEHMYGEKKQPSI-AGIUHOORSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](CC[N@H+]1C[C@@H](N)C[C@H](O)C1)CC(C)(C)C ZINC001204955963 967257709 /nfs/dbraw/zinc/25/77/09/967257709.db2.gz MPEHMYGEKKQPSI-AGIUHOORSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H]1C[N@H+](CC2CCSCC2)C[C@H]1CN ZINC001205130546 967358361 /nfs/dbraw/zinc/35/83/61/967358361.db2.gz HOSFHZPGNZLNPX-CMPLNLGQSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@H]1C[N@@H+](CC2CCSCC2)C[C@H]1CN ZINC001205130546 967358375 /nfs/dbraw/zinc/35/83/75/967358375.db2.gz HOSFHZPGNZLNPX-CMPLNLGQSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@H]1O ZINC001207276300 968712319 /nfs/dbraw/zinc/71/23/19/968712319.db2.gz VCHNPHOWKPYTID-VXGBXAGGSA-N 1 3 228.380 1.277 20 0 BDADHO CC[C@H](C)C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384535 969138369 /nfs/dbraw/zinc/13/83/69/969138369.db2.gz XRJRMPWDJRLKSM-QWRGUYRKSA-N 1 3 216.369 1.371 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CN1C[C@@H]2CCC[C@H]2C1 ZINC001253384603 969149335 /nfs/dbraw/zinc/14/93/35/969149335.db2.gz BBTTWVDJRMYXTL-RWMBFGLXSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001253384603 969149342 /nfs/dbraw/zinc/14/93/42/969149342.db2.gz BBTTWVDJRMYXTL-RWMBFGLXSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1CCC1 ZINC001253411693 969165933 /nfs/dbraw/zinc/16/59/33/969165933.db2.gz STTQJWXDQQHHRH-PWSUYJOCSA-N 1 3 228.380 1.514 20 0 BDADHO CCCC[C@H]([NH2+][C@H]1CCCN(C)CC1)C(N)=O ZINC001254511477 969678684 /nfs/dbraw/zinc/67/86/84/969678684.db2.gz AMLHOTKIMLJTGW-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H]1COCC[N@@H+]1[C@@H]1CCCN(C)CC1 ZINC001254526986 969718135 /nfs/dbraw/zinc/71/81/35/969718135.db2.gz VDGGNYCLYYDDQZ-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CC[C@H]1COCC[N@H+]1[C@@H]1CCCN(C)CC1 ZINC001254526986 969718142 /nfs/dbraw/zinc/71/81/42/969718142.db2.gz VDGGNYCLYYDDQZ-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CC[C@@H]1COCC[N@@H+]1[C@@H]1CCCN(C)CC1 ZINC001254526983 969721136 /nfs/dbraw/zinc/72/11/36/969721136.db2.gz VDGGNYCLYYDDQZ-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CC[C@@H]1COCC[N@H+]1[C@@H]1CCCN(C)CC1 ZINC001254526983 969721142 /nfs/dbraw/zinc/72/11/42/969721142.db2.gz VDGGNYCLYYDDQZ-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN)C1 ZINC001255348466 970121491 /nfs/dbraw/zinc/12/14/91/970121491.db2.gz IEVIKZLGVWMYRS-UTUOFQBUSA-N 1 3 242.363 1.293 20 0 BDADHO CC(C)N1CCN([C@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC001255443135 970173696 /nfs/dbraw/zinc/17/36/96/970173696.db2.gz KDUUHJFJSIRDMO-STQMWFEESA-N 1 3 225.380 1.105 20 0 BDADHO CC(C)N1CCN([C@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC001255443135 970173704 /nfs/dbraw/zinc/17/37/04/970173704.db2.gz KDUUHJFJSIRDMO-STQMWFEESA-N 1 3 225.380 1.105 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC001255945564 970574203 /nfs/dbraw/zinc/57/42/03/970574203.db2.gz GNEAUQMHUOSJLH-MELADBBJSA-N 1 3 242.407 2.000 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC001255945887 970577752 /nfs/dbraw/zinc/57/77/52/970577752.db2.gz OXRUGEPQQABOSI-MCIONIFRSA-N 1 3 242.407 2.000 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@H]1CN2C ZINC001255966724 970600180 /nfs/dbraw/zinc/60/01/80/970600180.db2.gz MPQUTSMYMPQDFJ-IHRRRGAJSA-N 1 3 239.407 1.495 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C ZINC001255966727 970601993 /nfs/dbraw/zinc/60/19/93/970601993.db2.gz MPQUTSMYMPQDFJ-RDBSUJKOSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@H](O)CNC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001336001645 977419054 /nfs/dbraw/zinc/41/90/54/977419054.db2.gz GPLFKRKXQLSNPC-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)C[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001336001645 977419070 /nfs/dbraw/zinc/41/90/70/977419070.db2.gz GPLFKRKXQLSNPC-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO CO[C@H]1CCC[C@@H]2CN(C[C@H](C)[NH3+])C[C@@H]21 ZINC001235624968 979105683 /nfs/dbraw/zinc/10/56/83/979105683.db2.gz NJTMXPRVEXGUBU-USZNOCQGSA-N 1 3 212.337 1.081 20 0 BDADHO CCCCCCN1CCN(C[C@@H](C)[NH3+])CC1 ZINC001235692793 979124928 /nfs/dbraw/zinc/12/49/28/979124928.db2.gz SVWULBUPCVGNHD-CYBMUJFWSA-N 1 3 227.396 1.532 20 0 BDADHO C[C@]1(C[NH3+])CCCN(CCCCCO)C1 ZINC001237060239 979810694 /nfs/dbraw/zinc/81/06/94/979810694.db2.gz YUNJFEQUNLITGO-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO C[C@@]1(CN2CCC[C@](C)(CO)C2)CCC[NH2+]C1 ZINC001345159167 980570218 /nfs/dbraw/zinc/57/02/18/980570218.db2.gz CRRPWARGEOOJAP-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO O[C@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CCCC1(F)F ZINC001580885853 981706964 /nfs/dbraw/zinc/70/69/64/981706964.db2.gz OZMBDDPRONDBED-AXFHLTTASA-N 1 3 248.317 1.267 20 0 BDADHO C[C@H](CNCc1cnccc1N(C)C)[NH+](C)C ZINC001200233314 982713029 /nfs/dbraw/zinc/71/30/29/982713029.db2.gz ZMZRLTMTYRZMTB-LLVKDONJSA-N 1 3 236.363 1.187 20 0 BDADHO C[C@H](C[NH2+]Cc1cnccc1N(C)C)N(C)C ZINC001200233314 982713046 /nfs/dbraw/zinc/71/30/46/982713046.db2.gz ZMZRLTMTYRZMTB-LLVKDONJSA-N 1 3 236.363 1.187 20 0 BDADHO NCc1cc(-c2ccc(C[NH3+])cc2)ncn1 ZINC001241910900 983125553 /nfs/dbraw/zinc/12/55/53/983125553.db2.gz BKPMWEMGVZRPSS-UHFFFAOYSA-N 1 3 214.272 1.061 20 0 BDADHO CC(C)COCC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001172463433 974827802 /nfs/dbraw/zinc/82/78/02/974827802.db2.gz OKHBQCGKHPTSNM-CHWSQXEVSA-N 1 3 230.396 1.964 20 0 BDADHO CC(C)COCC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172463433 974827803 /nfs/dbraw/zinc/82/78/03/974827803.db2.gz OKHBQCGKHPTSNM-CHWSQXEVSA-N 1 3 230.396 1.964 20 0 BDADHO C[C@@H]1C[C@@H](N2CC(C)(C[NH3+])C2)C[C@H](C)O1 ZINC001246596780 973012156 /nfs/dbraw/zinc/01/21/56/973012156.db2.gz KMJVSRMMVAIZHV-JGPRNRPPSA-N 1 3 212.337 1.223 20 0 BDADHO [NH3+]C[C@@H]1CN(CCC2CC2)CCC1(F)F ZINC000403235153 970897429 /nfs/dbraw/zinc/89/74/29/970897429.db2.gz OAQDIYAEVKXKCE-SNVBAGLBSA-N 1 3 218.291 1.702 20 0 BDADHO [NH3+]C1CC(N[C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256792403 970987866 /nfs/dbraw/zinc/98/78/66/970987866.db2.gz JVVVHQPZGJWMQZ-OOJKYFRXSA-N 1 3 246.354 1.986 20 0 BDADHO NC1CC([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256792403 970987875 /nfs/dbraw/zinc/98/78/75/970987875.db2.gz JVVVHQPZGJWMQZ-OOJKYFRXSA-N 1 3 246.354 1.986 20 0 BDADHO NCc1cncn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894275 971011830 /nfs/dbraw/zinc/01/18/30/971011830.db2.gz GMVUDNFZNPWOKW-ZDUSSCGKSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1cncn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894275 971011839 /nfs/dbraw/zinc/01/18/39/971011839.db2.gz GMVUDNFZNPWOKW-ZDUSSCGKSA-N 1 3 248.374 1.921 20 0 BDADHO C[C@@H]1CCC[N@H+](CCCCCCO)[C@H]1CCN ZINC000404401992 971156015 /nfs/dbraw/zinc/15/60/15/971156015.db2.gz RUSFISKNBYWYQF-KGLIPLIRSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCCCCCO)[C@H]1CCN ZINC000404401992 971156021 /nfs/dbraw/zinc/15/60/21/971156021.db2.gz RUSFISKNBYWYQF-KGLIPLIRSA-N 1 3 242.407 1.988 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCc2nccs2)C12CCC2 ZINC000405228034 971212144 /nfs/dbraw/zinc/21/21/44/971212144.db2.gz FAJDQTMVFFUPGS-NXEZZACHSA-N 1 3 237.372 1.545 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241213 971218836 /nfs/dbraw/zinc/21/88/36/971218836.db2.gz BDOKMRMSCOUXNY-UTUOFQBUSA-N 1 3 234.347 1.131 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405241213 971218843 /nfs/dbraw/zinc/21/88/43/971218843.db2.gz BDOKMRMSCOUXNY-UTUOFQBUSA-N 1 3 234.347 1.131 20 0 BDADHO CC(C)SCC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405313020 971230097 /nfs/dbraw/zinc/23/00/97/971230097.db2.gz PULOIZGVCFUOBG-QWRGUYRKSA-N 1 3 228.405 1.988 20 0 BDADHO CC(C)SCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313020 971230103 /nfs/dbraw/zinc/23/01/03/971230103.db2.gz PULOIZGVCFUOBG-QWRGUYRKSA-N 1 3 228.405 1.988 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)CS1 ZINC000405340838 971236938 /nfs/dbraw/zinc/23/69/38/971236938.db2.gz CQESVXYMOQMUQZ-RCWTZXSCSA-N 1 3 226.389 1.740 20 0 BDADHO CSCC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405395433 971250455 /nfs/dbraw/zinc/25/04/55/971250455.db2.gz IFUGMXRZGVKPSN-IUCAKERBSA-N 1 3 200.351 1.209 20 0 BDADHO CSCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405395433 971250463 /nfs/dbraw/zinc/25/04/63/971250463.db2.gz IFUGMXRZGVKPSN-IUCAKERBSA-N 1 3 200.351 1.209 20 0 BDADHO CCCCOCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405394004 971251037 /nfs/dbraw/zinc/25/10/37/971251037.db2.gz HRJBIIZPVRJZOA-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)C12CCC2 ZINC000405451321 971257468 /nfs/dbraw/zinc/25/74/68/971257468.db2.gz GQUZGEBJLIPHQK-QJPTWQEYSA-N 1 3 224.348 1.007 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCCOC2)C12CCC2 ZINC000405518020 971266032 /nfs/dbraw/zinc/26/60/32/971266032.db2.gz UWHFAFOSQSTVLJ-HBNTYKKESA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000405518020 971266048 /nfs/dbraw/zinc/26/60/48/971266048.db2.gz UWHFAFOSQSTVLJ-HBNTYKKESA-N 1 3 210.321 1.025 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@@H](C)[C@@H]1C)C[NH+](C)C ZINC000405608543 971281337 /nfs/dbraw/zinc/28/13/37/971281337.db2.gz OZPODCKHLJYYQF-NOOOWODRSA-N 1 3 214.353 1.197 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@H](C)[C@H]1C)C[NH+](C)C ZINC000405608539 971281636 /nfs/dbraw/zinc/28/16/36/971281636.db2.gz OZPODCKHLJYYQF-DDHJBXDOSA-N 1 3 214.353 1.197 20 0 BDADHO CCCCOC(=O)CC[C@@H](C)NC(C)(C)C[NH3+] ZINC001257384872 971295294 /nfs/dbraw/zinc/29/52/94/971295294.db2.gz BMEKMLMQPSFXPD-LLVKDONJSA-N 1 3 244.379 1.825 20 0 BDADHO CCCCOC(=O)CC[C@H](C)NC(C)(C)C[NH3+] ZINC001257384874 971297282 /nfs/dbraw/zinc/29/72/82/971297282.db2.gz BMEKMLMQPSFXPD-NSHDSACASA-N 1 3 244.379 1.825 20 0 BDADHO CC(C)C[NH+]1CCC(N2C[C@H](O)[C@@H](C)C2)CC1 ZINC001258012925 971553599 /nfs/dbraw/zinc/55/35/99/971553599.db2.gz ISWFPDWZEUTCTC-JSGCOSHPSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@@H](O)C2)CC1 ZINC001258003007 971554729 /nfs/dbraw/zinc/55/47/29/971554729.db2.gz TWCOLYUDFWDCLN-BETUJISGSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)CN1CCC([NH2+]C[C@H]2CCO2)CC1 ZINC001258002852 971555494 /nfs/dbraw/zinc/55/54/94/971555494.db2.gz JBFSBIVOUXUQKI-CYBMUJFWSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133907860 971619085 /nfs/dbraw/zinc/61/90/85/971619085.db2.gz BAKRJZSUWUSUGD-UHFFFAOYSA-N 1 3 243.395 1.079 20 0 BDADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc[nH]1 ZINC001218716314 971926147 /nfs/dbraw/zinc/92/61/47/971926147.db2.gz KWZRHYQAUWHPPE-JTQLQIEISA-N 1 3 238.335 1.012 20 0 BDADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1 ZINC001218809820 971944660 /nfs/dbraw/zinc/94/46/60/971944660.db2.gz QSRNNQIVFRDTRO-ZDUSSCGKSA-N 1 3 249.358 1.684 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218973226 971970707 /nfs/dbraw/zinc/97/07/07/971970707.db2.gz XTIIINQFGIOKGT-SECBINFHSA-N 1 3 233.315 1.310 20 0 BDADHO C[C@@H]([NH3+])CCNc1ccc2c(c1)COC21CNC1 ZINC001170893716 972048148 /nfs/dbraw/zinc/04/81/48/972048148.db2.gz DKIOANLWKAXNNB-SNVBAGLBSA-N 1 3 247.342 1.165 20 0 BDADHO COCc1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170900996 972068977 /nfs/dbraw/zinc/06/89/77/972068977.db2.gz SRWFGMSNJYMIMX-LBPRGKRZSA-N 1 3 223.320 1.269 20 0 BDADHO CO/C=C/c1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170902482 972077914 /nfs/dbraw/zinc/07/79/14/972077914.db2.gz DGYMKWPWBXTPKC-AORWBKJGSA-N 1 3 235.331 1.739 20 0 BDADHO CC1(C)COc2ccc(N[C@H](N)CCC[NH3+])cc21 ZINC001170903294 972075823 /nfs/dbraw/zinc/07/58/23/972075823.db2.gz IWWJXBSYQZCRMA-ZDUSSCGKSA-N 1 3 249.358 1.792 20 0 BDADHO CC[C@@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220112896 972158438 /nfs/dbraw/zinc/15/84/38/972158438.db2.gz DIAVMUGLQQJGMP-NEPJUHHUSA-N 1 3 243.395 1.397 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCc2cccc(O)c2)CCN1 ZINC001246156669 972198384 /nfs/dbraw/zinc/19/83/84/972198384.db2.gz BDYCQGXEHVQLPC-WCQYABFASA-N 1 3 234.343 1.665 20 0 BDADHO C[C@H]1C[C@H](NCCc2cccc(O)c2)CC[NH2+]1 ZINC001246156669 972198395 /nfs/dbraw/zinc/19/83/95/972198395.db2.gz BDYCQGXEHVQLPC-WCQYABFASA-N 1 3 234.343 1.665 20 0 BDADHO CC(C)CCC[C@@H](C)NC(=O)[C@H](N)CCC[NH3+] ZINC001220250263 972198159 /nfs/dbraw/zinc/19/81/59/972198159.db2.gz URUTUDWBZPUWDI-VXGBXAGGSA-N 1 3 243.395 1.384 20 0 BDADHO COC(=O)C1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246179715 972207145 /nfs/dbraw/zinc/20/71/45/972207145.db2.gz FFXBZYCOBOTTSG-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)C1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CCC1 ZINC001246179715 972207148 /nfs/dbraw/zinc/20/71/48/972207148.db2.gz FFXBZYCOBOTTSG-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO CC1(C)C[C@@H](NC[C@@H]2CCC[NH2+]C2)CO1 ZINC000396511151 956898561 /nfs/dbraw/zinc/89/85/61/956898561.db2.gz XMPJXJIZPQHECS-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCNCC1 ZINC001246229019 972233555 /nfs/dbraw/zinc/23/35/55/972233555.db2.gz HWXSLQDELSQOEZ-NSHDSACASA-N 1 3 228.380 1.658 20 0 BDADHO CCOC(=O)C(C)(C)CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246313504 972274665 /nfs/dbraw/zinc/27/46/65/972274665.db2.gz FEPFZYMIJSVRSD-GHMZBOCLSA-N 1 3 242.363 1.306 20 0 BDADHO CCOC(=O)C(C)(C)C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246313504 972274670 /nfs/dbraw/zinc/27/46/70/972274670.db2.gz FEPFZYMIJSVRSD-GHMZBOCLSA-N 1 3 242.363 1.306 20 0 BDADHO Cc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC13CNC3)C2 ZINC001246443106 972316083 /nfs/dbraw/zinc/31/60/83/972316083.db2.gz FTAWLQSUEJKCQT-UKRRQHHQSA-N 1 3 242.366 1.804 20 0 BDADHO Cc1ncc(CN(C)C[C@H]2C[C@@H]([NH3+])C2)s1 ZINC000693544523 958752240 /nfs/dbraw/zinc/75/22/40/958752240.db2.gz MABOZIVBYOSVIL-AOOOYVTPSA-N 1 3 225.361 1.621 20 0 BDADHO CC(C)OCC[C@@H](C)[N@@H+]1CCCNCC1 ZINC001246524354 972386724 /nfs/dbraw/zinc/38/67/24/972386724.db2.gz INCNNPVICALSNN-GFCCVEGCSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)OCC[C@@H](C)[N@H+]1CCCNCC1 ZINC001246524354 972386736 /nfs/dbraw/zinc/38/67/36/972386736.db2.gz INCNNPVICALSNN-GFCCVEGCSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)[C@H]1CCN ZINC000404412735 959252369 /nfs/dbraw/zinc/25/23/69/959252369.db2.gz DTONKUZPQQVSSN-RDBSUJKOSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)[C@H]1CCN ZINC000404412735 959252381 /nfs/dbraw/zinc/25/23/81/959252381.db2.gz DTONKUZPQQVSSN-RDBSUJKOSA-N 1 3 240.391 1.862 20 0 BDADHO F[C@H]1CNCC[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065063 959851152 /nfs/dbraw/zinc/85/11/52/959851152.db2.gz CRBQLRIFIIFZMR-QWHCGFSZSA-N 1 3 236.290 1.369 20 0 BDADHO C[C@@H](CC[NH+](C)C)NC[C@H]1COC(C)(C)O1 ZINC000695837510 960500384 /nfs/dbraw/zinc/50/03/84/960500384.db2.gz YCGGAXRBIBHUFB-QWRGUYRKSA-N 1 3 230.352 1.068 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CCN1 ZINC000709477055 960621421 /nfs/dbraw/zinc/62/14/21/960621421.db2.gz ITQWROZXUQJWPA-OCCSQVGLSA-N 1 3 233.359 1.696 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccncc2)CCN1 ZINC000709477055 960621426 /nfs/dbraw/zinc/62/14/26/960621426.db2.gz ITQWROZXUQJWPA-OCCSQVGLSA-N 1 3 233.359 1.696 20 0 BDADHO C[C@H]1CC[C@H](NCCCCCCO)C[NH2+]1 ZINC000399038309 961064329 /nfs/dbraw/zinc/06/43/29/961064329.db2.gz PZKOWLSIMPCCAP-RYUDHWBXSA-N 1 3 214.353 1.269 20 0 BDADHO Cc1cnc(N[C@H]2CN3CCC2CC3)c(C[NH3+])c1 ZINC001155667494 963150533 /nfs/dbraw/zinc/15/05/33/963150533.db2.gz HDVHVPOMEQPECL-ZDUSSCGKSA-N 1 3 246.358 1.355 20 0 BDADHO Cc1cnc(-n2ccc3c2CC[NH2+]C3)cc1N ZINC001157449731 963610048 /nfs/dbraw/zinc/61/00/48/963610048.db2.gz XDUHDJPFAVLFCX-UHFFFAOYSA-N 1 3 228.299 1.409 20 0 BDADHO Nc1ccnc(NC[C@H]2CCCC[NH2+]2)c1 ZINC001160145870 964257442 /nfs/dbraw/zinc/25/74/42/964257442.db2.gz WRNUMMSPJDVEAW-SNVBAGLBSA-N 1 3 206.293 1.218 20 0 BDADHO CO[C@@H]1CN(C2CCC([NH+](C)C)CC2)C[C@@H]1F ZINC001168315698 964420031 /nfs/dbraw/zinc/42/00/31/964420031.db2.gz ZZAAHOROOPAHLE-IFWUJCSASA-N 1 3 244.354 1.528 20 0 BDADHO C[NH+](C)C1CCC(N2CCOC3(CC3)C2)CC1 ZINC001168328277 964459628 /nfs/dbraw/zinc/45/96/28/964459628.db2.gz CQJAYABTUOQBHL-UHFFFAOYSA-N 1 3 238.375 1.724 20 0 BDADHO CN(C)c1cccc(NC/C=C/C[NH3+])n1 ZINC001160977472 964467781 /nfs/dbraw/zinc/46/77/81/964467781.db2.gz YDKOKNWBRKBEGR-ONEGZZNKSA-N 1 3 206.293 1.074 20 0 BDADHO CN(C(=O)[C@H](N)C(C)(C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161062912 964509898 /nfs/dbraw/zinc/50/98/98/964509898.db2.gz LARZZJHWSFFBIC-AXFHLTTASA-N 1 3 241.379 1.088 20 0 BDADHO C[C@@H](CC[NH2+]Cc1ccc(CO)cc1)N(C)C ZINC000697848370 964565200 /nfs/dbraw/zinc/56/52/00/964565200.db2.gz MADVPQNSPGNCNY-LBPRGKRZSA-N 1 3 236.359 1.609 20 0 BDADHO CC[C@H](COC)NCC[C@H](C)[NH+](C)C ZINC000697871884 964599810 /nfs/dbraw/zinc/59/98/10/964599810.db2.gz PNEYPHORDIZWCQ-WDEREUQCSA-N 1 3 202.342 1.341 20 0 BDADHO C[C@@H](CCNC[C@H]1CCC=CO1)[NH+](C)C ZINC000697877620 964604216 /nfs/dbraw/zinc/60/42/16/964604216.db2.gz CCZZVLPGPCBZLG-NWDGAFQWSA-N 1 3 212.337 1.609 20 0 BDADHO CN1CCC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224701113 964886836 /nfs/dbraw/zinc/88/68/36/964886836.db2.gz CZBUEFKQVDPKJK-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224701113 964886839 /nfs/dbraw/zinc/88/68/39/964886839.db2.gz CZBUEFKQVDPKJK-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162395597 964955066 /nfs/dbraw/zinc/95/50/66/964955066.db2.gz VJLGIZFKYDOBMZ-QWHCGFSZSA-N 1 3 248.374 1.825 20 0 BDADHO CN(C)Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162395595 964957076 /nfs/dbraw/zinc/95/70/76/964957076.db2.gz VJLGIZFKYDOBMZ-CHWSQXEVSA-N 1 3 248.374 1.825 20 0 BDADHO CN(C)c1cccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001162791067 965178324 /nfs/dbraw/zinc/17/83/24/965178324.db2.gz YVGXQOQLLRQGFQ-GRYCIOLGSA-N 1 3 244.342 1.334 20 0 BDADHO NC1CC([NH2+][C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168412501 965293293 /nfs/dbraw/zinc/29/32/93/965293293.db2.gz OUHFNVWNAXQRMY-ROKHWSDSSA-N 1 3 234.318 1.762 20 0 BDADHO [NH3+]C1CC(N[C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168412501 965293304 /nfs/dbraw/zinc/29/33/04/965293304.db2.gz OUHFNVWNAXQRMY-ROKHWSDSSA-N 1 3 234.318 1.762 20 0 BDADHO [NH3+]CC[C@@H]1CCN(Cc2ccns2)C1 ZINC000690753562 965357326 /nfs/dbraw/zinc/35/73/26/965357326.db2.gz DULKPFLNRAKJCF-SECBINFHSA-N 1 3 211.334 1.314 20 0 BDADHO CN1CCC[C@H]([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000714983985 965578516 /nfs/dbraw/zinc/57/85/16/965578516.db2.gz SKZZEBHWHFWMPC-LBPRGKRZSA-N 1 3 235.331 1.361 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089144424 965654201 /nfs/dbraw/zinc/65/42/01/965654201.db2.gz UHOFJGCSUPNFGM-JHJVBQTASA-N 1 3 236.363 1.379 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2cc[nH]c(=O)c2)CC1 ZINC001205094197 965726607 /nfs/dbraw/zinc/72/66/07/965726607.db2.gz KCAKEMNKSSQHKL-NSHDSACASA-N 1 3 221.304 1.100 20 0 BDADHO Cc1c[nH]c(=O)c(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205117908 965873750 /nfs/dbraw/zinc/87/37/50/965873750.db2.gz YPTTVHQVUFYVBP-LBPRGKRZSA-N 1 3 235.331 1.409 20 0 BDADHO CN(C)Cc1ccnc(N2CC(C)([NH+](C)C)C2)c1 ZINC001165122394 965968282 /nfs/dbraw/zinc/96/82/82/965968282.db2.gz ZBDNDSCFXOTGPE-UHFFFAOYSA-N 1 3 248.374 1.284 20 0 BDADHO Cc1c[nH+]c(N2CCN(C(C)C)[C@H](C)C2)cc1N ZINC001165200465 965984551 /nfs/dbraw/zinc/98/45/51/965984551.db2.gz ZNXUSPJUGLWTCK-GFCCVEGCSA-N 1 3 248.374 1.891 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@@H]2COC[C@@H]2C)CC1 ZINC000699804783 966092229 /nfs/dbraw/zinc/09/22/29/966092229.db2.gz IIMCICXDNASSMV-GXTWGEPZSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@H]1CCC[N@H+](C[C@H](N)Cc2ccccc2)C1 ZINC000299988249 966244280 /nfs/dbraw/zinc/24/42/80/966244280.db2.gz BRHJTZQHBYZXQC-CABCVRRESA-N 1 3 248.370 1.667 20 0 BDADHO CO[C@H]1CCC[N@@H+](C[C@H](N)Cc2ccccc2)C1 ZINC000299988249 966244299 /nfs/dbraw/zinc/24/42/99/966244299.db2.gz BRHJTZQHBYZXQC-CABCVRRESA-N 1 3 248.370 1.667 20 0 BDADHO CNc1ncc(CN2CCC(C[NH3+])CC2)s1 ZINC001205052779 967308040 /nfs/dbraw/zinc/30/80/40/967308040.db2.gz CYZCFAYQEPPOHJ-UHFFFAOYSA-N 1 3 240.376 1.356 20 0 BDADHO CC1(C[N@@H+]2CCC[C@H](N)CC2)CCOCC1 ZINC001205094968 967341923 /nfs/dbraw/zinc/34/19/23/967341923.db2.gz RROFEUHXSHNKEQ-LBPRGKRZSA-N 1 3 226.364 1.616 20 0 BDADHO CC1(C[N@H+]2CCC[C@H](N)CC2)CCOCC1 ZINC001205094968 967341934 /nfs/dbraw/zinc/34/19/34/967341934.db2.gz RROFEUHXSHNKEQ-LBPRGKRZSA-N 1 3 226.364 1.616 20 0 BDADHO COc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1N ZINC001205141144 967392085 /nfs/dbraw/zinc/39/20/85/967392085.db2.gz XHAWXLLLDXOKFG-CMPLNLGQSA-N 1 3 249.358 1.304 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C[C@H]1CCOC(C)(C)C1 ZINC001205171025 967410021 /nfs/dbraw/zinc/41/00/21/967410021.db2.gz JMKASHNISKIVMP-GRYCIOLGSA-N 1 3 226.364 1.613 20 0 BDADHO COC(=O)CCCN1CCC[C@](C)([NH3+])CC1 ZINC001205257511 967443342 /nfs/dbraw/zinc/44/33/42/967443342.db2.gz WEVUFYSPGDDVST-LBPRGKRZSA-N 1 3 228.336 1.143 20 0 BDADHO C[C@@]1([NH3+])CCC[N@H+](Cc2ncccc2[O-])CC1 ZINC001205264819 967454819 /nfs/dbraw/zinc/45/48/19/967454819.db2.gz NFAQBZYISLGKLR-CYBMUJFWSA-N 1 3 235.331 1.491 20 0 BDADHO C[C@@]1([NH3+])CCC[N@@H+](Cc2ncccc2[O-])CC1 ZINC001205264819 967454822 /nfs/dbraw/zinc/45/48/22/967454822.db2.gz NFAQBZYISLGKLR-CYBMUJFWSA-N 1 3 235.331 1.491 20 0 BDADHO C[C@@]1([NH3+])CCCN(Cc2ncccc2O)CC1 ZINC001205264819 967454834 /nfs/dbraw/zinc/45/48/34/967454834.db2.gz NFAQBZYISLGKLR-CYBMUJFWSA-N 1 3 235.331 1.491 20 0 BDADHO C[NH+](C)CCC1=CC[C@@H](N2CCOCC2)CC1 ZINC001250162015 967455487 /nfs/dbraw/zinc/45/54/87/967455487.db2.gz IBRMSWQRJXYFJQ-CQSZACIVSA-N 1 3 238.375 1.749 20 0 BDADHO C[C@H]1CCN(Cc2cnsc2)CC[C@H]1C[NH3+] ZINC001205638413 967734405 /nfs/dbraw/zinc/73/44/05/967734405.db2.gz NTLDISVTCZPNNA-JQWIXIFHSA-N 1 3 239.388 1.950 20 0 BDADHO COc1cncc(CN2CCC(C[NH3+])CC2)c1C ZINC001205053963 967778615 /nfs/dbraw/zinc/77/86/15/967778615.db2.gz XLUXHIXRWZQLBH-UHFFFAOYSA-N 1 3 249.358 1.569 20 0 BDADHO N[C@@H]1CCCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001205940048 967894289 /nfs/dbraw/zinc/89/42/89/967894289.db2.gz ZHQYNRZKTKZHAP-CYBMUJFWSA-N 1 3 245.370 1.968 20 0 BDADHO N[C@@H]1CCCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001205940048 967894290 /nfs/dbraw/zinc/89/42/90/967894290.db2.gz ZHQYNRZKTKZHAP-CYBMUJFWSA-N 1 3 245.370 1.968 20 0 BDADHO C[C@@H]1CN(Cc2ncc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992133 967939205 /nfs/dbraw/zinc/93/92/05/967939205.db2.gz DUXUDMGDFVJQJH-MNOVXSKESA-N 1 3 222.336 1.217 20 0 BDADHO COC1CCC(CN2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206053405 968026279 /nfs/dbraw/zinc/02/62/79/968026279.db2.gz USWPZBCBDCGANA-IKWCTNDRSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000685979270 968173777 /nfs/dbraw/zinc/17/37/77/968173777.db2.gz RIDGQIWSYHMDLJ-IJLUTSLNSA-N 1 3 214.353 1.220 20 0 BDADHO C[C@]1(C[NH3+])CCCN(Cc2nccnc2N)CC1 ZINC001206311269 968219214 /nfs/dbraw/zinc/21/92/14/968219214.db2.gz LNQCLACRDVRBNO-ZDUSSCGKSA-N 1 3 249.362 1.010 20 0 BDADHO CCC[NH2+]CC[C@H](C)NC(=O)CN(C)C(C)C ZINC001273204483 968226298 /nfs/dbraw/zinc/22/62/98/968226298.db2.gz LIFKNLDGRCCKHK-LBPRGKRZSA-N 1 3 243.395 1.221 20 0 BDADHO CN(C)c1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC001331821952 968249323 /nfs/dbraw/zinc/24/93/23/968249323.db2.gz OTNCYAZWYBCFQT-CABCVRRESA-N 1 3 247.386 1.765 20 0 BDADHO CN(C)c1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC001331821971 968254043 /nfs/dbraw/zinc/25/40/43/968254043.db2.gz OTNCYAZWYBCFQT-LSDHHAIUSA-N 1 3 247.386 1.765 20 0 BDADHO CC[C@@H](C(=O)NCc1ccccc1C[NH3+])N(C)C ZINC001119236197 968294241 /nfs/dbraw/zinc/29/42/41/968294241.db2.gz XWHNXOJIWJNHLR-ZDUSSCGKSA-N 1 3 249.358 1.102 20 0 BDADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457947 968320490 /nfs/dbraw/zinc/32/04/90/968320490.db2.gz VPPNACOKRJHPKT-XDQVBPFNSA-N 1 3 238.375 1.230 20 0 BDADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457947 968320502 /nfs/dbraw/zinc/32/05/02/968320502.db2.gz VPPNACOKRJHPKT-XDQVBPFNSA-N 1 3 238.375 1.230 20 0 BDADHO CC(C)c1ccccc1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206476918 968328389 /nfs/dbraw/zinc/32/83/89/968328389.db2.gz YHPYKPMXKFQDLK-DZGCQCFKSA-N 1 3 248.370 1.561 20 0 BDADHO CC[C@@H](O)CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251799506 968337555 /nfs/dbraw/zinc/33/75/55/968337555.db2.gz AZFNFBSTPQILPC-HZSPNIEDSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@H](O)CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251799506 968337561 /nfs/dbraw/zinc/33/75/61/968337561.db2.gz AZFNFBSTPQILPC-HZSPNIEDSA-N 1 3 242.407 1.715 20 0 BDADHO Cc1cccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206512822 968343568 /nfs/dbraw/zinc/34/35/68/968343568.db2.gz UMPDQDZEADUKIW-KBPBESRZSA-N 1 3 234.343 1.055 20 0 BDADHO CC[C@@H](O)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001251814118 968349490 /nfs/dbraw/zinc/34/94/90/968349490.db2.gz QWNNFWVZNLESLQ-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](CC2CCC2)CC1 ZINC001251814118 968349501 /nfs/dbraw/zinc/34/95/01/968349501.db2.gz QWNNFWVZNLESLQ-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO Cn1cccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206606552 968403053 /nfs/dbraw/zinc/40/30/53/968403053.db2.gz PEGGRFXAQDIHQR-LBPRGKRZSA-N 1 3 221.348 1.586 20 0 BDADHO CCCC[C@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252093975 968575447 /nfs/dbraw/zinc/57/54/47/968575447.db2.gz KWZBDDNFFUTDHO-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CCCC[C@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252093975 968575439 /nfs/dbraw/zinc/57/54/39/968575439.db2.gz KWZBDDNFFUTDHO-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC(=O)[C@@H]1CCCN(CC(C)(C)C[NH+](C)C)C1 ZINC001207282288 968711387 /nfs/dbraw/zinc/71/13/87/968711387.db2.gz GNCPURWMNSEVGP-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO CN(CC1CC[NH+](C)CC1)C1(C)COC1 ZINC001207398696 968753410 /nfs/dbraw/zinc/75/34/10/968753410.db2.gz JFPHXDBBHLMXAM-UHFFFAOYSA-N 1 3 212.337 1.049 20 0 BDADHO C[C@H]1CCN(CC2CC[NH2+]CC2)CCC1=O ZINC001207436880 968770265 /nfs/dbraw/zinc/77/02/65/968770265.db2.gz VVWGNRVPEXLCJQ-NSHDSACASA-N 1 3 224.348 1.287 20 0 BDADHO OCC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000829275598 968825534 /nfs/dbraw/zinc/82/55/34/968825534.db2.gz NHBZTZLSSHZEQN-CYBMUJFWSA-N 1 3 226.364 1.080 20 0 BDADHO C[NH+]1CCC(C)(CN2CC(C(F)F)C2)CC1 ZINC001208115711 969009167 /nfs/dbraw/zinc/00/91/67/969009167.db2.gz KWVMOHCXIJBUOT-UHFFFAOYSA-N 1 3 232.318 1.915 20 0 BDADHO CCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253384499 969149556 /nfs/dbraw/zinc/14/95/56/969149556.db2.gz VWNQWDXPPORFDD-JTQLQIEISA-N 1 3 202.342 1.125 20 0 BDADHO CCCC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384499 969149558 /nfs/dbraw/zinc/14/95/58/969149558.db2.gz VWNQWDXPPORFDD-JTQLQIEISA-N 1 3 202.342 1.125 20 0 BDADHO C[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605093 969153653 /nfs/dbraw/zinc/15/36/53/969153653.db2.gz YMZJTZUPPOWDEU-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605093 969153660 /nfs/dbraw/zinc/15/36/60/969153660.db2.gz YMZJTZUPPOWDEU-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253408710 969163076 /nfs/dbraw/zinc/16/30/76/969163076.db2.gz HZBGLDAJAINYHJ-XQQFMLRXSA-N 1 3 242.407 1.904 20 0 BDADHO CCCC[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253411823 969165988 /nfs/dbraw/zinc/16/59/88/969165988.db2.gz XQDMZJCGCFBKNE-NEPJUHHUSA-N 1 3 230.396 1.904 20 0 BDADHO CCCC[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253411823 969165993 /nfs/dbraw/zinc/16/59/93/969165993.db2.gz XQDMZJCGCFBKNE-NEPJUHHUSA-N 1 3 230.396 1.904 20 0 BDADHO CNCc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC001242022134 969176739 /nfs/dbraw/zinc/17/67/39/969176739.db2.gz OSLMOHRZCSHDED-MNOVXSKESA-N 1 3 230.315 1.104 20 0 BDADHO [NH3+][C@@H]1CCN(c2ncccc2CN2CCCC2)C1 ZINC001156233375 969267474 /nfs/dbraw/zinc/26/74/74/969267474.db2.gz QXGPSVBVXXZVJD-CYBMUJFWSA-N 1 3 246.358 1.215 20 0 BDADHO CC(C)[C@@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001253783870 969403312 /nfs/dbraw/zinc/40/33/12/969403312.db2.gz ACQPGMAISUKJLC-AWEZNQCLSA-N 1 3 247.342 1.712 20 0 BDADHO CCN(CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169127087 969431595 /nfs/dbraw/zinc/43/15/95/969431595.db2.gz ZQMPWCGYWUCJIZ-CLLJXQQHSA-N 1 3 226.364 1.580 20 0 BDADHO CCN(CCOC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169127087 969431602 /nfs/dbraw/zinc/43/16/02/969431602.db2.gz ZQMPWCGYWUCJIZ-CLLJXQQHSA-N 1 3 226.364 1.580 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc3c1CNCC3)C2 ZINC001169126513 969433697 /nfs/dbraw/zinc/43/36/97/969433697.db2.gz VOXYWARMTFOMKH-ZSBIGDGJSA-N 1 3 246.358 1.327 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc3c1CNCC3)C2 ZINC001169126513 969433702 /nfs/dbraw/zinc/43/37/02/969433702.db2.gz VOXYWARMTFOMKH-ZSBIGDGJSA-N 1 3 246.358 1.327 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1COC(C)(C)C1)C2 ZINC001169112675 969455639 /nfs/dbraw/zinc/45/56/39/969455639.db2.gz RQXKNYCOWZQRBD-FVCCEPFGSA-N 1 3 238.375 1.769 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1COC(C)(C)C1)C2 ZINC001169112675 969455648 /nfs/dbraw/zinc/45/56/48/969455648.db2.gz RQXKNYCOWZQRBD-FVCCEPFGSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]([NH3+])c1ccn(-c2ccc(CN(C)C)cn2)n1 ZINC001169230649 969505455 /nfs/dbraw/zinc/50/54/55/969505455.db2.gz VFTMXDOTYJSALG-SNVBAGLBSA-N 1 3 245.330 1.349 20 0 BDADHO C[C@H]([NH3+])c1ccn(-c2cccc(CN(C)C)n2)n1 ZINC001169231275 969506722 /nfs/dbraw/zinc/50/67/22/969506722.db2.gz HCYYDDYTXYUOKS-JTQLQIEISA-N 1 3 245.330 1.349 20 0 BDADHO C[C@H](N)c1ccn(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001169232199 969509102 /nfs/dbraw/zinc/50/91/02/969509102.db2.gz AQWTWOUOWMVFKO-VIFPVBQESA-N 1 3 228.299 1.495 20 0 BDADHO CC[NH+]1CCC(N2CCCO[C@H](C)C2)CC1 ZINC001169246668 969535209 /nfs/dbraw/zinc/53/52/09/969535209.db2.gz UFSVQUCRBWJHHF-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@H]([NH2+]C[C@H](O)c2ccco2)CC1 ZINC001254497843 969657766 /nfs/dbraw/zinc/65/77/66/969657766.db2.gz OGZWIIFXONFDIS-RYUDHWBXSA-N 1 3 238.331 1.387 20 0 BDADHO Cc1cncc(C[NH2+][C@H]2CCCN(C)CC2)c1 ZINC001254497845 969660631 /nfs/dbraw/zinc/66/06/31/969660631.db2.gz OIVHZAWVRIKAIA-AWEZNQCLSA-N 1 3 233.359 1.964 20 0 BDADHO CN1CCC[C@@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521874 969707677 /nfs/dbraw/zinc/70/76/77/969707677.db2.gz ZIULRYXSJBBFGR-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521874 969707684 /nfs/dbraw/zinc/70/76/84/969707684.db2.gz ZIULRYXSJBBFGR-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CCN1CCN([C@H]2CCC[N@H+](C)CC2)[C@H](C)C1 ZINC001254531167 969725343 /nfs/dbraw/zinc/72/53/43/969725343.db2.gz FNQAIIHYPJCOTJ-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN([C@H]2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC001254531167 969725350 /nfs/dbraw/zinc/72/53/50/969725350.db2.gz FNQAIIHYPJCOTJ-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CC[C@H]([N@H+](C)[C@H]2CC3CCN(CC3)C2)C1 ZINC001254859128 969811657 /nfs/dbraw/zinc/81/16/57/969811657.db2.gz BVDIFLXHDVKWDS-KBPBESRZSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CC[C@H]([N@@H+](C)[C@H]2CC3CCN(CC3)C2)C1 ZINC001254859128 969811661 /nfs/dbraw/zinc/81/16/61/969811661.db2.gz BVDIFLXHDVKWDS-KBPBESRZSA-N 1 3 237.391 1.107 20 0 BDADHO C[C@@H](CN)C[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982456 969937271 /nfs/dbraw/zinc/93/72/71/969937271.db2.gz NHNGLRNHDDRQOX-JTQLQIEISA-N 1 3 243.395 1.582 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC[C@@H](C)O ZINC001255950744 970567465 /nfs/dbraw/zinc/56/74/65/970567465.db2.gz KOSJEKZFTWJVBI-VXGBXAGGSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001255946338 970581598 /nfs/dbraw/zinc/58/15/98/970581598.db2.gz SLLGWNDVBIVSOK-UPJWGTAASA-N 1 3 228.380 1.467 20 0 BDADHO [NH3+]CC1(F)CCN(Cc2cccc(O)c2)CC1 ZINC001222533367 972552724 /nfs/dbraw/zinc/55/27/24/972552724.db2.gz VQYXZXOKTLURED-UHFFFAOYSA-N 1 3 238.306 1.655 20 0 BDADHO C[NH2+][C@@H](C)CCN[C@@H](COC)CC(C)C ZINC001327838379 972756675 /nfs/dbraw/zinc/75/66/75/972756675.db2.gz GHWYAIGLIIKIPT-NWDGAFQWSA-N 1 3 216.369 1.635 20 0 BDADHO [NH3+]C[C@H]1CN([C@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557500 972772245 /nfs/dbraw/zinc/77/22/45/972772245.db2.gz LWWWNLNSTRUFKB-ZRUFSTJUSA-N 1 3 230.302 1.701 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246558998 972782603 /nfs/dbraw/zinc/78/26/03/972782603.db2.gz NOLDZASYWKXFNV-WOPDTQHZSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246558998 972782609 /nfs/dbraw/zinc/78/26/09/972782609.db2.gz NOLDZASYWKXFNV-WOPDTQHZSA-N 1 3 214.328 1.951 20 0 BDADHO CO[C@H]1CCC[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637732 973056252 /nfs/dbraw/zinc/05/62/52/973056252.db2.gz JAMYRKQKNUTUBY-YVECIDJPSA-N 1 3 224.348 1.380 20 0 BDADHO CCCCN1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246793408 973093635 /nfs/dbraw/zinc/09/36/35/973093635.db2.gz YQUDHPMQXLIMPG-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO Cc1nc2c(n1[C@@H]1CC[C@H](C)[NH2+]C1)CNCC2 ZINC001246859520 973168308 /nfs/dbraw/zinc/16/83/08/973168308.db2.gz GABYITICOHNROF-GXSJLCMTSA-N 1 3 234.347 1.150 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3C[C@]3(N)C1)C2 ZINC001246867273 973236919 /nfs/dbraw/zinc/23/69/19/973236919.db2.gz HRLPYVQSAPWOKP-QNSTZXKLSA-N 1 3 235.375 1.035 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3C[C@]3(N)C1)C2 ZINC001246867273 973236927 /nfs/dbraw/zinc/23/69/27/973236927.db2.gz HRLPYVQSAPWOKP-QNSTZXKLSA-N 1 3 235.375 1.035 20 0 BDADHO CC1(C)C[C@@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246998472 973793832 /nfs/dbraw/zinc/79/38/32/973793832.db2.gz XHASJDNJJNKFDA-GXTWGEPZSA-N 1 3 249.402 1.859 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)C1 ZINC001206156413 974336139 /nfs/dbraw/zinc/33/61/39/974336139.db2.gz QOJBXOQDGKMBQV-YNEHKIRRSA-N 1 3 243.370 1.089 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CC[C@@H](N)[C@H](F)CC2)C1 ZINC001206156413 974336151 /nfs/dbraw/zinc/33/61/51/974336151.db2.gz QOJBXOQDGKMBQV-YNEHKIRRSA-N 1 3 243.370 1.089 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1CN)C2 ZINC001172100436 974344165 /nfs/dbraw/zinc/34/41/65/974344165.db2.gz QNSOTPVUECKHKF-GDNZZTSVSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1CN)C2 ZINC001172100436 974344171 /nfs/dbraw/zinc/34/41/71/974344171.db2.gz QNSOTPVUECKHKF-GDNZZTSVSA-N 1 3 234.347 1.530 20 0 BDADHO COC(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107503 974366848 /nfs/dbraw/zinc/36/68/48/974366848.db2.gz YXAVWSQJRCZVFE-CNDDSTCGSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107503 974366859 /nfs/dbraw/zinc/36/68/59/974366859.db2.gz YXAVWSQJRCZVFE-CNDDSTCGSA-N 1 3 240.347 1.154 20 0 BDADHO COC(C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)OC ZINC001172106246 974369661 /nfs/dbraw/zinc/36/96/61/974369661.db2.gz OBONQEUZCLWXCO-ZSBIGDGJSA-N 1 3 242.363 1.210 20 0 BDADHO CN(C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113625 974386144 /nfs/dbraw/zinc/38/61/44/974386144.db2.gz LCMCLIWNBPCRAI-CLLJXQQHSA-N 1 3 237.391 1.248 20 0 BDADHO CN(C)C1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113625 974386153 /nfs/dbraw/zinc/38/61/53/974386153.db2.gz LCMCLIWNBPCRAI-CLLJXQQHSA-N 1 3 237.391 1.248 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172219347 974449212 /nfs/dbraw/zinc/44/92/12/974449212.db2.gz PEBWKJPJEFLYPK-CPIKKWJDSA-N 1 3 238.375 1.770 20 0 BDADHO CN1CCC[C@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231800 974473698 /nfs/dbraw/zinc/47/36/98/974473698.db2.gz ZBRVGMOZOBOTPV-PBNFFQIGSA-N 1 3 236.359 1.546 20 0 BDADHO Cc1cc(C)c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)[nH]1 ZINC001206163882 974513397 /nfs/dbraw/zinc/51/33/97/974513397.db2.gz HBCHXEUUOMYQEE-RYUDHWBXSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1cc(C)c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)[nH]1 ZINC001206163882 974513402 /nfs/dbraw/zinc/51/34/02/974513402.db2.gz HBCHXEUUOMYQEE-RYUDHWBXSA-N 1 3 239.338 1.893 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001172327194 974540856 /nfs/dbraw/zinc/54/08/56/974540856.db2.gz DFUYXYNSQVSYRS-TUAOUCFPSA-N 1 3 216.369 1.765 20 0 BDADHO CN1CC[C@H]([NH2+]CC2(C)OCCO2)CC1(C)C ZINC001331277001 974668200 /nfs/dbraw/zinc/66/82/00/974668200.db2.gz DOFGFCYHAXSCPN-NSHDSACASA-N 1 3 242.363 1.212 20 0 BDADHO CCOCC[C@@H](C)N1CCC[C@H]1C[NH3+] ZINC001172412306 974678026 /nfs/dbraw/zinc/67/80/26/974678026.db2.gz SZSQMNMVIOHIAU-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC001172412589 974677412 /nfs/dbraw/zinc/67/74/12/974677412.db2.gz ZFOOMLLWZJTGNO-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CCC[C@H](N)C1 ZINC001172412589 974677417 /nfs/dbraw/zinc/67/74/17/974677417.db2.gz ZFOOMLLWZJTGNO-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO CCCC[C@@H](COC)NCC[C@@H](C)[NH2+]C ZINC001331821933 974826871 /nfs/dbraw/zinc/82/68/71/974826871.db2.gz OTEADSGUKCKFLN-NEPJUHHUSA-N 1 3 216.369 1.779 20 0 BDADHO CCCC[C@@H](COC)NCC[C@H](C)[NH2+]C ZINC001331821950 974827106 /nfs/dbraw/zinc/82/71/06/974827106.db2.gz OTEADSGUKCKFLN-RYUDHWBXSA-N 1 3 216.369 1.779 20 0 BDADHO Cc1ncccc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206167042 974885282 /nfs/dbraw/zinc/88/52/82/974885282.db2.gz WGPQJIXMRGWHRQ-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ncccc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206167042 974885286 /nfs/dbraw/zinc/88/52/86/974885286.db2.gz WGPQJIXMRGWHRQ-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001172746646 974921934 /nfs/dbraw/zinc/92/19/34/974921934.db2.gz RBIQEBZNDLZHRI-GHMZBOCLSA-N 1 3 230.352 1.291 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)NC[C@H](C)C[NH3+] ZINC001172746646 974921941 /nfs/dbraw/zinc/92/19/41/974921941.db2.gz RBIQEBZNDLZHRI-GHMZBOCLSA-N 1 3 230.352 1.291 20 0 BDADHO CCc1ccc(C[C@H](C)NC[C@H](O)C[NH3+])cc1 ZINC001173239252 975163708 /nfs/dbraw/zinc/16/37/08/975163708.db2.gz PCFDDHHBDCUQJZ-SMDDNHRTSA-N 1 3 236.359 1.089 20 0 BDADHO CCCN(CCC)CC[NH2+][C@@H]1CCN(CC)C1 ZINC001173350072 975296466 /nfs/dbraw/zinc/29/64/66/975296466.db2.gz NKPNOYRXPRVCLB-CQSZACIVSA-N 1 3 241.423 1.792 20 0 BDADHO CC[N@@H+]1CC[C@@H](n2ccc([C@H](C)N)n2)C1 ZINC001173350663 975297872 /nfs/dbraw/zinc/29/78/72/975297872.db2.gz OJBOLRFFKOORBP-VHSXEESVSA-N 1 3 208.309 1.170 20 0 BDADHO CC[N@H+]1CC[C@@H](n2ccc([C@H](C)N)n2)C1 ZINC001173350663 975297878 /nfs/dbraw/zinc/29/78/78/975297878.db2.gz OJBOLRFFKOORBP-VHSXEESVSA-N 1 3 208.309 1.170 20 0 BDADHO C[N@H+](CCNc1cc(N)ncc1Cl)C1CC1 ZINC001333640894 975916692 /nfs/dbraw/zinc/91/66/92/975916692.db2.gz LIOYTRVZQKDGKK-UHFFFAOYSA-N 1 3 240.738 1.823 20 0 BDADHO C[N@@H+](CCNc1cc(N)ncc1Cl)C1CC1 ZINC001333640894 975916704 /nfs/dbraw/zinc/91/67/04/975916704.db2.gz LIOYTRVZQKDGKK-UHFFFAOYSA-N 1 3 240.738 1.823 20 0 BDADHO Cc1ncc(Nc2cc[nH+]c(C)c2)n1C ZINC001174654802 976944308 /nfs/dbraw/zinc/94/43/08/976944308.db2.gz MWSDZNHYUSOZRN-UHFFFAOYSA-N 1 3 202.261 1.597 20 0 BDADHO CC(C)OCC[C@H](O)CNCC[C@H](C)[NH+](C)C ZINC001335381657 977015448 /nfs/dbraw/zinc/01/54/48/977015448.db2.gz OTTFVHJMTQBSFT-STQMWFEESA-N 1 3 246.395 1.092 20 0 BDADHO C[C@H](O)CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001336001645 977419040 /nfs/dbraw/zinc/41/90/40/977419040.db2.gz GPLFKRKXQLSNPC-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO c1c[nH+]c(Nc2ccnc3c2CCC3)[nH]1 ZINC001176078818 977870468 /nfs/dbraw/zinc/87/04/68/977870468.db2.gz ARMHSDJVFJHMAJ-UHFFFAOYSA-N 1 3 200.245 1.459 20 0 BDADHO CN(C)c1cc[nH+]cc1Nc1ncc[nH]1 ZINC001176078776 977872347 /nfs/dbraw/zinc/87/23/47/977872347.db2.gz AFSSCIWWIVTQSA-UHFFFAOYSA-N 1 3 203.249 1.614 20 0 BDADHO Cn1ccnc1CN1CCC[C@@](C)(C[NH3+])CC1 ZINC001206304962 978383164 /nfs/dbraw/zinc/38/31/64/978383164.db2.gz SECSOECZMKOMCO-CYBMUJFWSA-N 1 3 236.363 1.371 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccnc(CO)c3)[C@H]2C1 ZINC001338296288 978656275 /nfs/dbraw/zinc/65/62/75/978656275.db2.gz HNFMDFSAESNLBX-BPNCWPANSA-N 1 3 247.342 1.326 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@H](Nc3ccnc(CO)c3)[C@H]2C1 ZINC001338296288 978656281 /nfs/dbraw/zinc/65/62/81/978656281.db2.gz HNFMDFSAESNLBX-BPNCWPANSA-N 1 3 247.342 1.326 20 0 BDADHO CN1CC2(C1)CC[NH+](CC(C)(C)CO)CC2 ZINC001277963838 979127137 /nfs/dbraw/zinc/12/71/37/979127137.db2.gz VSPDPJCYPOMBGV-UHFFFAOYSA-N 1 3 226.364 1.033 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001340883361 979137044 /nfs/dbraw/zinc/13/70/44/979137044.db2.gz ZUEVEHGHZZPZTN-SECBINFHSA-N 1 3 233.315 1.084 20 0 BDADHO CC(C)([NH3+])CC(=O)Nc1cccc2c1CNC2 ZINC001340883311 979137541 /nfs/dbraw/zinc/13/75/41/979137541.db2.gz ZAQGLWGSRKGFGB-UHFFFAOYSA-N 1 3 233.315 1.356 20 0 BDADHO [NH3+]CCCCN1CC(N2CCC(F)(F)CC2)C1 ZINC001235889877 979181064 /nfs/dbraw/zinc/18/10/64/979181064.db2.gz AMKRONQHSDGPKV-UHFFFAOYSA-N 1 3 247.333 1.141 20 0 BDADHO [NH3+][C@@H]1CC=C(C(=O)Nc2cccc3c2CNC3)C1 ZINC001340994935 979188670 /nfs/dbraw/zinc/18/86/70/979188670.db2.gz OUDRFUBZKICIGG-LLVKDONJSA-N 1 3 243.310 1.276 20 0 BDADHO N[C@]12C[C@H]1C[N@H+](CCCc1ccc(F)cc1)C2 ZINC001236013801 979300600 /nfs/dbraw/zinc/30/06/00/979300600.db2.gz CBPYZUCYOGFYIL-JSGCOSHPSA-N 1 3 234.318 1.791 20 0 BDADHO N[C@]12C[C@H]1C[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001236013801 979300612 /nfs/dbraw/zinc/30/06/12/979300612.db2.gz CBPYZUCYOGFYIL-JSGCOSHPSA-N 1 3 234.318 1.791 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893134 979586864 /nfs/dbraw/zinc/58/68/64/979586864.db2.gz JNZOGOBWUVLUES-DDHJBXDOSA-N 1 3 241.379 1.136 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893135 979587726 /nfs/dbraw/zinc/58/77/26/979587726.db2.gz JNZOGOBWUVLUES-IRCOFANPSA-N 1 3 241.379 1.136 20 0 BDADHO CCc1cccc(C)c1CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535917 979612760 /nfs/dbraw/zinc/61/27/60/979612760.db2.gz UNJOPHZARMHXOU-ZFWWWQNUSA-N 1 3 248.370 1.309 20 0 BDADHO C1=C2NCCN(C[C@@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237218590 979849302 /nfs/dbraw/zinc/84/93/02/979849302.db2.gz JJUUGQGLLSOTQH-TZMCWYRMSA-N 1 3 235.375 1.328 20 0 BDADHO C[N@@H+]1C[C@H]2C[C@@H](C1)N(CCCn1cccc1)C2 ZINC001278189357 980163246 /nfs/dbraw/zinc/16/32/46/980163246.db2.gz QEBFKZYWYKURKA-KGLIPLIRSA-N 1 3 233.359 1.514 20 0 BDADHO C[N@H+]1C[C@H]2C[C@@H](C1)N(CCCn1cccc1)C2 ZINC001278189357 980163249 /nfs/dbraw/zinc/16/32/49/980163249.db2.gz QEBFKZYWYKURKA-KGLIPLIRSA-N 1 3 233.359 1.514 20 0 BDADHO c1cn(CC[NH2+]C2CCN(CC3CC3)CC2)cn1 ZINC000155653070 980534983 /nfs/dbraw/zinc/53/49/83/980534983.db2.gz KDJVKBYQVIZIMS-UHFFFAOYSA-N 1 3 248.374 1.347 20 0 BDADHO COC(=O)c1cccc(CNC[C@H](C)C[NH3+])c1 ZINC001345104606 980549695 /nfs/dbraw/zinc/54/96/95/980549695.db2.gz MHLMCCIKHNSOMQ-SNVBAGLBSA-N 1 3 236.315 1.158 20 0 BDADHO Cc1cccc([C@@H](O)CNC[C@H]2CC[N@@H+](C)C2)c1 ZINC001346192556 980779315 /nfs/dbraw/zinc/77/93/15/980779315.db2.gz WCOQLLBKGXNOIA-HIFRSBDPSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1cccc([C@@H](O)CNC[C@H]2CC[N@H+](C)C2)c1 ZINC001346192556 980779321 /nfs/dbraw/zinc/77/93/21/980779321.db2.gz WCOQLLBKGXNOIA-HIFRSBDPSA-N 1 3 248.370 1.570 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000722684738 980880485 /nfs/dbraw/zinc/88/04/85/980880485.db2.gz WRYUSFHRCAEFFE-BBBLOLIVSA-N 1 3 218.291 1.558 20 0 BDADHO NCc1cc(-c2cncc(C[NH3+])c2)ccn1 ZINC001239799047 980938090 /nfs/dbraw/zinc/93/80/90/980938090.db2.gz XCBOFLDVZXLJFS-UHFFFAOYSA-N 1 3 214.272 1.061 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022794 /nfs/dbraw/zinc/02/27/94/981022794.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 1 3 214.353 1.029 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022801 /nfs/dbraw/zinc/02/28/01/981022801.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022806 /nfs/dbraw/zinc/02/28/06/981022806.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)[C@@H](C)O)C1 ZINC001191391031 981022811 /nfs/dbraw/zinc/02/28/11/981022811.db2.gz UCDCSBCSRFSZNJ-UTUOFQBUSA-N 1 3 214.353 1.029 20 0 BDADHO COCC1(N(C)C[C@H]2CCC[NH2+]C2)CCC1 ZINC001348820831 981451614 /nfs/dbraw/zinc/45/16/14/981451614.db2.gz HOEVTLZOQIQJIE-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[NH+]1C[C@@H]2CN(CCCSC)C[C@H]2C1 ZINC001201698024 983413512 /nfs/dbraw/zinc/41/35/12/983413512.db2.gz VBFKJMHPTIRFDV-VXGBXAGGSA-N 1 3 228.405 1.623 20 0 BDADHO Nc1cccc(C[N@H+]2CCCC[C@@H](N)C2)c1 ZINC001205938058 983569750 /nfs/dbraw/zinc/56/97/50/983569750.db2.gz FEQDUSIPAFKYCH-CYBMUJFWSA-N 1 3 219.332 1.582 20 0 BDADHO Nc1cccc(C[N@@H+]2CCCC[C@@H](N)C2)c1 ZINC001205938058 983569766 /nfs/dbraw/zinc/56/97/66/983569766.db2.gz FEQDUSIPAFKYCH-CYBMUJFWSA-N 1 3 219.332 1.582 20 0 BDADHO CCCN1C[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2C1 ZINC001202530994 983877027 /nfs/dbraw/zinc/87/70/27/983877027.db2.gz YGJHOUIBSANXSD-BFHYXJOUSA-N 1 3 238.375 1.297 20 0 BDADHO NCc1cccc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001242674349 984040527 /nfs/dbraw/zinc/04/05/27/984040527.db2.gz VTTDFTQBPHLDKJ-UHFFFAOYSA-N 1 3 225.295 1.811 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CC23CC(O)C3)C1 ZINC001576478502 984170818 /nfs/dbraw/zinc/17/08/18/984170818.db2.gz ACJSERAHPQHLKQ-JJMZSNKZSA-N 1 3 238.375 1.268 20 0 BDADHO CCO[C@@]1(C)C[C@H]1NCC1(C[NH3+])CCC1 ZINC001578161218 984206769 /nfs/dbraw/zinc/20/67/69/984206769.db2.gz NALIRSMCOCZIFA-MNOVXSKESA-N 1 3 212.337 1.273 20 0 BDADHO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC1(CN)CCC1 ZINC001577908432 984815804 /nfs/dbraw/zinc/81/58/04/984815804.db2.gz IVEATRGMRUTVPU-QWRGUYRKSA-N 1 3 242.363 1.293 20 0 BDADHO CCOC(=O)C1(C)CC(N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC001577925241 984820970 /nfs/dbraw/zinc/82/09/70/984820970.db2.gz GOUDJGVJYAYFRR-CFGSLIKFSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(=O)C1(C)CC([NH2+]CC2(N)CCC2)C1 ZINC001577925616 984821961 /nfs/dbraw/zinc/82/19/61/984821961.db2.gz LVZMJOPDYMXIDQ-UHFFFAOYSA-N 1 3 240.347 1.189 20 0 BDADHO CCO[C@@H](CN[C@H](C[NH3+])C1CC1)C1CC1 ZINC001578075183 984839433 /nfs/dbraw/zinc/83/94/33/984839433.db2.gz GNFCSOHAPFGVOR-NEPJUHHUSA-N 1 3 212.337 1.128 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093269 984844780 /nfs/dbraw/zinc/84/47/80/984844780.db2.gz GORUZEDORXTPCM-BJDJZHNGSA-N 1 3 224.348 1.413 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093275 984845703 /nfs/dbraw/zinc/84/57/03/984845703.db2.gz GORUZEDORXTPCM-KKOKHZNYSA-N 1 3 224.348 1.413 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093271 984846755 /nfs/dbraw/zinc/84/67/55/984846755.db2.gz GORUZEDORXTPCM-DDHJBXDOSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@@H](O)CN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001578226181 984876292 /nfs/dbraw/zinc/87/62/92/984876292.db2.gz WFIIEEJOEHFGLW-WHOHXGKFSA-N 1 3 214.353 1.205 20 0 BDADHO CN(C[C@H]1CCC[C@@H]1O)CC1(C[NH3+])CCC1 ZINC001578451304 985086035 /nfs/dbraw/zinc/08/60/35/985086035.db2.gz GPMMKSHZSQPADT-NEPJUHHUSA-N 1 3 226.364 1.208 20 0 BDADHO CN(CCCCCCC[NH3+])[C@@H]1CCN(C)C1=O ZINC001578524809 985149217 /nfs/dbraw/zinc/14/92/17/985149217.db2.gz JLCZQEZWTLLBIT-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CN1CCCC[C@H]1C[NH2+]C[C@H](N)CC(F)F ZINC001578528541 985158122 /nfs/dbraw/zinc/15/81/22/985158122.db2.gz IWDXJHKFAUDOIX-ZJUUUORDSA-N 1 3 235.322 1.043 20 0 BDADHO CN1CCC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529413 985159918 /nfs/dbraw/zinc/15/99/18/985159918.db2.gz UNORREZRBOBOLJ-BFHYXJOUSA-N 1 3 237.391 1.202 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(C[C@H]2CC[NH2+]C2)C1 ZINC000687189785 985256713 /nfs/dbraw/zinc/25/67/13/985256713.db2.gz AUTGLLVQBHUIFF-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC001578787972 985358636 /nfs/dbraw/zinc/35/86/36/985358636.db2.gz GQMQFNNAHBMESS-WRWGMCAJSA-N 1 3 242.363 1.147 20 0 BDADHO C[C@H]1COC[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000688022753 985489943 /nfs/dbraw/zinc/48/99/43/985489943.db2.gz GFACLUDVTMQHOG-UONOGXRCSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H]1COC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000688026152 985501565 /nfs/dbraw/zinc/50/15/65/985501565.db2.gz UHCYQBWLRGKUTH-WCQYABFASA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](O)[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001459524365 985513217 /nfs/dbraw/zinc/51/32/17/985513217.db2.gz CNLGMUNGMLZULD-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000688053115 985539230 /nfs/dbraw/zinc/53/92/30/985539230.db2.gz MKVUHGXBWCVSCV-FVCCEPFGSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000688053115 985539252 /nfs/dbraw/zinc/53/92/52/985539252.db2.gz MKVUHGXBWCVSCV-FVCCEPFGSA-N 1 3 224.348 1.238 20 0 BDADHO COC1CCC(C[NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578936752 985548893 /nfs/dbraw/zinc/54/88/93/985548893.db2.gz CJXSHPFYFPASPH-WSVSKBAQSA-N 1 3 212.337 1.271 20 0 BDADHO NCc1cccc(/C=C/C2CC[NH2+]CC2)n1 ZINC001243892899 985563635 /nfs/dbraw/zinc/56/36/35/985563635.db2.gz LTJHKPQULUMUJB-SNAWJCMRSA-N 1 3 217.316 1.553 20 0 BDADHO COC[C@H](CN[C@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001578961776 985564166 /nfs/dbraw/zinc/56/41/66/985564166.db2.gz SGLCQKZDAOTLPA-AVGNSLFASA-N 1 3 228.380 1.635 20 0 BDADHO COCC[C@H]([NH3+])CNC(C)(C)CSC ZINC001579000899 985620588 /nfs/dbraw/zinc/62/05/88/985620588.db2.gz COFBNCOYDPOYDX-VIFPVBQESA-N 1 3 220.382 1.081 20 0 BDADHO COCC[C@@H]([NH3+])CNC[C@@H](OC)C(C)(C)C ZINC001579000928 985647107 /nfs/dbraw/zinc/64/71/07/985647107.db2.gz DABPMWHNAMXBCK-GHMZBOCLSA-N 1 3 232.368 1.001 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@H]1CC[NH2+]CC[C@H]1C ZINC001579130309 985808378 /nfs/dbraw/zinc/80/83/78/985808378.db2.gz RQCORJKTNFTBSF-KXNHARMFSA-N 1 3 212.337 1.142 20 0 BDADHO CCSCCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460861643 985916468 /nfs/dbraw/zinc/91/64/68/985916468.db2.gz BYNKCGDWXIQQGE-NEPJUHHUSA-N 1 3 228.405 1.623 20 0 BDADHO CCSCCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460861643 985916476 /nfs/dbraw/zinc/91/64/76/985916476.db2.gz BYNKCGDWXIQQGE-NEPJUHHUSA-N 1 3 228.405 1.623 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@H](C)CCO1 ZINC001579439910 985925906 /nfs/dbraw/zinc/92/59/06/985925906.db2.gz BJCPGYHWAGFHON-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CCOC(=O)CC[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001258472965 985938246 /nfs/dbraw/zinc/93/82/46/985938246.db2.gz HUGDJRZSIQVFJH-GRYCIOLGSA-N 1 3 242.363 1.578 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@@H]1CCCC[C@@H]1O)C2 ZINC001579473580 985984653 /nfs/dbraw/zinc/98/46/53/985984653.db2.gz GJSVDTFSAZQBTP-CRWXNKLISA-N 1 3 238.375 1.079 20 0 BDADHO C[C@H]1c2ccccc2C[C@H]1NC[C@]1(O)CC[NH2+]C1 ZINC001579508244 986054008 /nfs/dbraw/zinc/05/40/08/986054008.db2.gz YWHPLSISCLPLOF-GLQYFDAESA-N 1 3 246.354 1.029 20 0 BDADHO Cc1cnn([C@@H]2CCN(C[C@@H]3C[NH2+]C[C@H]3C)C2)c1 ZINC001579827606 986250728 /nfs/dbraw/zinc/25/07/28/986250728.db2.gz LRJPCLMACZCCGY-HZSPNIEDSA-N 1 3 248.374 1.294 20 0 BDADHO C[N@H+]1C[C@H]2CN(C[C@@]3(C)CCCCO3)C[C@H]2C1 ZINC001462170539 986302988 /nfs/dbraw/zinc/30/29/88/986302988.db2.gz KKRVRYAYERQCMB-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1C[C@H]2CN(C[C@@]3(C)CCCCO3)C[C@H]2C1 ZINC001462170539 986302991 /nfs/dbraw/zinc/30/29/91/986302991.db2.gz KKRVRYAYERQCMB-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@@H]2C1 ZINC001462664483 986495904 /nfs/dbraw/zinc/49/59/04/986495904.db2.gz GZEKPKDCDZDXNE-RVMXOQNASA-N 1 3 224.348 1.095 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163433 986634808 /nfs/dbraw/zinc/63/48/08/986634808.db2.gz AYOMFNWNVGDVMH-KNZXXDILSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163433 986634817 /nfs/dbraw/zinc/63/48/17/986634817.db2.gz AYOMFNWNVGDVMH-KNZXXDILSA-N 1 3 222.332 1.166 20 0 BDADHO [NH3+]C[C@@H](NCc1cc[nH]c(=O)c1)C1CCCCC1 ZINC001580229856 986677773 /nfs/dbraw/zinc/67/77/73/986677773.db2.gz UQMNLTAJXXEHAP-CYBMUJFWSA-N 1 3 249.358 1.784 20 0 BDADHO NCC1(C[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC001580243814 986694510 /nfs/dbraw/zinc/69/45/10/986694510.db2.gz LUXITTITOLCZHZ-STQMWFEESA-N 1 3 238.375 1.378 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCn3cccc3C2)C1 ZINC001580387016 986812696 /nfs/dbraw/zinc/81/26/96/986812696.db2.gz DYDGHZNBOUURKK-NWDGAFQWSA-N 1 3 219.332 1.431 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580423053 986841119 /nfs/dbraw/zinc/84/11/19/986841119.db2.gz NMVLKAGFURMRCI-OSUNSFLBSA-N 1 3 222.332 1.023 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580423053 986841124 /nfs/dbraw/zinc/84/11/24/986841124.db2.gz NMVLKAGFURMRCI-OSUNSFLBSA-N 1 3 222.332 1.023 20 0 BDADHO NC1(C[NH2+]C[C@@H](O)c2ccccc2)CCCC1 ZINC001245977671 987249727 /nfs/dbraw/zinc/24/97/27/987249727.db2.gz ZFDZJYIAXCXANB-CYBMUJFWSA-N 1 3 234.343 1.581 20 0 BDADHO CCCC[C@H](O)CNC[C@H]1CCC[NH2+][C@@H]1C ZINC001245975968 987251944 /nfs/dbraw/zinc/25/19/44/987251944.db2.gz AKSBCWVRDLMQTI-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC001245999677 987283712 /nfs/dbraw/zinc/28/37/12/987283712.db2.gz BZEHMDDYAURORH-STQMWFEESA-N 1 3 222.332 1.221 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001245999633 987285855 /nfs/dbraw/zinc/28/58/55/987285855.db2.gz BGEMCXJPSULUQZ-VXGBXAGGSA-N 1 3 226.295 1.186 20 0 BDADHO [NH3+][C@@H]1CCCN(C[C@H](O)c2ccccc2)CC1 ZINC001246017021 987300705 /nfs/dbraw/zinc/30/07/05/987300705.db2.gz PRHQDNGGTXOQGI-KGLIPLIRSA-N 1 3 234.343 1.533 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001246027715 987323933 /nfs/dbraw/zinc/32/39/33/987323933.db2.gz YGXAODZFSLFGDB-STQMWFEESA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CCC[C@]12CCCNC2 ZINC001246027715 987323944 /nfs/dbraw/zinc/32/39/44/987323944.db2.gz YGXAODZFSLFGDB-STQMWFEESA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)c2ccccc2)CN1 ZINC001246073350 987361266 /nfs/dbraw/zinc/36/12/66/987361266.db2.gz SCLYKGUDOOWSPZ-BPLDGKMQSA-N 1 3 248.370 1.624 20 0 BDADHO C[C@H]1CC[C@H](NC2(C)CCOCC2)C[NH2+]1 ZINC001246080091 987372150 /nfs/dbraw/zinc/37/21/50/987372150.db2.gz DRHNUXINOKGUHE-QWRGUYRKSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1CC[C@H](N[C@@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246082189 987378783 /nfs/dbraw/zinc/37/87/83/987378783.db2.gz VKWMCBMZBPILRH-TUAOUCFPSA-N 1 3 226.364 1.674 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CCNC[C@@H]2F)CC1 ZINC001246084687 987382411 /nfs/dbraw/zinc/38/24/11/987382411.db2.gz GJZNIFYVWPZWIJ-STQMWFEESA-N 1 3 243.370 1.149 20 0 BDADHO CCCC[C@H](CC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085586 987384976 /nfs/dbraw/zinc/38/49/76/987384976.db2.gz XVYHHUAYTMAGRY-RWMBFGLXSA-N 1 3 246.370 1.607 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CCN1 ZINC001246090739 987399194 /nfs/dbraw/zinc/39/91/94/987399194.db2.gz YQISGFPRSHYVQF-IRCOFANPSA-N 1 3 214.328 1.997 20 0 BDADHO C1C[C@H]2CC(N[C@@H]3CCCC[NH2+]C3)C[C@@H]1O2 ZINC001246093532 987403247 /nfs/dbraw/zinc/40/32/47/987403247.db2.gz XCHVZKUPQUPTAJ-ODWCKFRGSA-N 1 3 224.348 1.428 20 0 BDADHO CCOCC[C@H](C)N[C@H]1CC[NH2+]C[C@H]1F ZINC001246098846 987413424 /nfs/dbraw/zinc/41/34/24/987413424.db2.gz PVEKIOMWNXCFIQ-AXFHLTTASA-N 1 3 218.316 1.091 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001246098140 987413822 /nfs/dbraw/zinc/41/38/22/987413822.db2.gz JGEBHXFABRMSLA-WOPDTQHZSA-N 1 3 242.363 1.163 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1C[NH2+]CC[C@H]1C ZINC001246117283 987459802 /nfs/dbraw/zinc/45/98/02/987459802.db2.gz YWSWLKPFDGGABV-GRYCIOLGSA-N 1 3 242.363 1.163 20 0 BDADHO CC[C@@H]1CC[C@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246133424 987489030 /nfs/dbraw/zinc/48/90/30/987489030.db2.gz NXHWYFSATUPRNO-WOPDTQHZSA-N 1 3 208.349 1.907 20 0 BDADHO O=C1C[C@@H]2CC([NH2+]C[C@H]3CCCNC3)C[C@H]2C1 ZINC001246199692 987597045 /nfs/dbraw/zinc/59/70/45/987597045.db2.gz NCNNBMCEFZVGBI-SRVKXCTJSA-N 1 3 236.359 1.333 20 0 BDADHO NCc1nn(C2CC[NH2+]CC2)c2ccccc12 ZINC001246202294 987599489 /nfs/dbraw/zinc/59/94/89/987599489.db2.gz SSQKFUUJTNCAPV-UHFFFAOYSA-N 1 3 230.315 1.420 20 0 BDADHO C([NH2+]C1CCNCC1)C1CCC2(COC2)CC1 ZINC001246222325 987620305 /nfs/dbraw/zinc/62/03/05/987620305.db2.gz LZTGBFZEUQNUJI-UHFFFAOYSA-N 1 3 238.375 1.535 20 0 BDADHO COc1cc(CCN[C@H]2CC[NH2+][C@H](C)C2)ccn1 ZINC001246241146 987642109 /nfs/dbraw/zinc/64/21/09/987642109.db2.gz QLTKOOSXJDPIBM-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO COc1cc(CC[NH2+][C@H]2CCN[C@H](C)C2)ccn1 ZINC001246241146 987642113 /nfs/dbraw/zinc/64/21/13/987642113.db2.gz QLTKOOSXJDPIBM-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)CCN1 ZINC001246249861 987649976 /nfs/dbraw/zinc/64/99/76/987649976.db2.gz RNXMAAPKBCVGHC-FIQHERPVSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCF)CC2)CCN1 ZINC001246270540 987666943 /nfs/dbraw/zinc/66/69/43/987666943.db2.gz GJZFEHSGUYSPAG-DGCLKSJQSA-N 1 3 243.370 1.150 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CNC[C@@H]2CO)CC(C)(C)C1 ZINC001246304070 987701159 /nfs/dbraw/zinc/70/11/59/987701159.db2.gz GSBYPXQEGNUHOA-NDBYEHHHSA-N 1 3 240.391 1.371 20 0 BDADHO CO[C@@H](C)CNCC1(C[NH+](C)C)CCCC1 ZINC001474426068 987720919 /nfs/dbraw/zinc/72/09/19/987720919.db2.gz QWQDEQOOCXRDGM-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO N=C(N[C@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC001246322207 987728514 /nfs/dbraw/zinc/72/85/14/987728514.db2.gz GKNXFGAWTNDRJF-QMMMGPOBSA-N 1 3 238.722 1.402 20 0 BDADHO C[C@@H]1C[C@@H](Nc2ccc(CN)nc2)CC[NH2+]1 ZINC001246327059 987732298 /nfs/dbraw/zinc/73/22/98/987732298.db2.gz RANGECWUIRQMDC-ZJUUUORDSA-N 1 3 220.320 1.093 20 0 BDADHO C[C@H]1C[C@@H](NCCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338674 987748183 /nfs/dbraw/zinc/74/81/83/987748183.db2.gz ADKBBGGCLPABHL-AAEUAGOBSA-N 1 3 243.370 1.150 20 0 BDADHO COC(CCC[NH2+][C@@H]1CCN[C@@H](C)C1)OC ZINC001246342456 987751507 /nfs/dbraw/zinc/75/15/07/987751507.db2.gz OWPXGMDAPAEACE-WDEREUQCSA-N 1 3 230.352 1.116 20 0 BDADHO C1CC12CCC([NH2+][C@H]1CC13CNC3)CC2 ZINC001246445837 987791371 /nfs/dbraw/zinc/79/13/71/987791371.db2.gz PYWITJBRGHGYCS-NSHDSACASA-N 1 3 206.333 1.661 20 0 BDADHO C1CC12CCC(N[C@H]1CC13C[NH2+]C3)CC2 ZINC001246445837 987791377 /nfs/dbraw/zinc/79/13/77/987791377.db2.gz PYWITJBRGHGYCS-NSHDSACASA-N 1 3 206.333 1.661 20 0 BDADHO CCOC(=O)CCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246442129 987799799 /nfs/dbraw/zinc/79/97/99/987799799.db2.gz BZNMBOOWERXKTE-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)CCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246442129 987799805 /nfs/dbraw/zinc/79/98/05/987799805.db2.gz BZNMBOOWERXKTE-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21)C1CC1 ZINC001474756351 987818796 /nfs/dbraw/zinc/81/87/96/987818796.db2.gz CVCBODRNAKOLIH-FTYKPCCVSA-N 1 3 208.349 1.715 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CCN1 ZINC001246463605 987823248 /nfs/dbraw/zinc/82/32/48/987823248.db2.gz WHHQZHCCVORYSN-FDYHWXHSSA-N 1 3 226.364 1.410 20 0 BDADHO CC(C)(C)[NH+]1CCC(N2C[C@@H](F)[C@@H](N)C2)CC1 ZINC001246531365 987887815 /nfs/dbraw/zinc/88/78/15/987887815.db2.gz QBEUIBSSFFTCRU-NEPJUHHUSA-N 1 3 243.370 1.230 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C1CCN(C2CC2)CC1 ZINC001246537796 987898624 /nfs/dbraw/zinc/89/86/24/987898624.db2.gz LFUAYSMLWLJZFL-FZMZJTMJSA-N 1 3 237.391 1.425 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1C1CCN(C2CC2)CC1 ZINC001246537796 987898631 /nfs/dbraw/zinc/89/86/31/987898631.db2.gz LFUAYSMLWLJZFL-FZMZJTMJSA-N 1 3 237.391 1.425 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542019 987913846 /nfs/dbraw/zinc/91/38/46/987913846.db2.gz IODLXQGXMOSBJU-DDHJBXDOSA-N 1 3 240.347 1.140 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542019 987913855 /nfs/dbraw/zinc/91/38/55/987913855.db2.gz IODLXQGXMOSBJU-DDHJBXDOSA-N 1 3 240.347 1.140 20 0 BDADHO CC(C)=CCC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557176 987978454 /nfs/dbraw/zinc/97/84/54/987978454.db2.gz FKQFUYZRHDVMDL-YNEHKIRRSA-N 1 3 226.364 1.515 20 0 BDADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557176 987978462 /nfs/dbraw/zinc/97/84/62/987978462.db2.gz FKQFUYZRHDVMDL-YNEHKIRRSA-N 1 3 226.364 1.515 20 0 BDADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557176 987978471 /nfs/dbraw/zinc/97/84/71/987978471.db2.gz FKQFUYZRHDVMDL-YNEHKIRRSA-N 1 3 226.364 1.515 20 0 BDADHO CCN(CCCC(=O)OC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246565264 988011944 /nfs/dbraw/zinc/01/19/44/988011944.db2.gz PIKBHVFPWFXTAO-VXGBXAGGSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@H+](CCCC(=O)OC)[C@@H]1CCN[C@H](C)C1 ZINC001246565264 988011960 /nfs/dbraw/zinc/01/19/60/988011960.db2.gz PIKBHVFPWFXTAO-VXGBXAGGSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@@H+](CCCC(=O)OC)[C@@H]1CCN[C@H](C)C1 ZINC001246565264 988011976 /nfs/dbraw/zinc/01/19/76/988011976.db2.gz PIKBHVFPWFXTAO-VXGBXAGGSA-N 1 3 242.363 1.402 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566545 988027924 /nfs/dbraw/zinc/02/79/24/988027924.db2.gz SEDUXZNRRXTTMT-UTUOFQBUSA-N 1 3 214.353 1.471 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566545 988027940 /nfs/dbraw/zinc/02/79/40/988027940.db2.gz SEDUXZNRRXTTMT-UTUOFQBUSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](O)[C@@H](C)C2)CCN1 ZINC001246571269 988065571 /nfs/dbraw/zinc/06/55/71/988065571.db2.gz ASHPNBXEESDEFI-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](O)[C@@H](C)C2)CCN1 ZINC001246571269 988065586 /nfs/dbraw/zinc/06/55/86/988065586.db2.gz ASHPNBXEESDEFI-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO [NH3+]C[C@]1(F)CCCCN(C2CCOCC2)C1 ZINC001246575828 988080132 /nfs/dbraw/zinc/08/01/32/988080132.db2.gz JCQFKIUJZDIQHG-GFCCVEGCSA-N 1 3 230.327 1.318 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(CO)CC2)CCN1 ZINC001246577446 988095419 /nfs/dbraw/zinc/09/54/19/988095419.db2.gz RKTVYEAFRJDHGH-MCIONIFRSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(CO)CC2)CCN1 ZINC001246577446 988095426 /nfs/dbraw/zinc/09/54/26/988095426.db2.gz RKTVYEAFRJDHGH-MCIONIFRSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246580216 988108841 /nfs/dbraw/zinc/10/88/41/988108841.db2.gz LBKOUFCQXWAAIJ-QNWJLWSRSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246580216 988108846 /nfs/dbraw/zinc/10/88/46/988108846.db2.gz LBKOUFCQXWAAIJ-QNWJLWSRSA-N 1 3 226.364 1.063 20 0 BDADHO CN1CCC[C@@H]([N@@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246585656 988131122 /nfs/dbraw/zinc/13/11/22/988131122.db2.gz PNNPOVRMZBZDOJ-ZIAGYGMSSA-N 1 3 239.407 1.532 20 0 BDADHO CN1CCC[C@@H]([N@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246585656 988131125 /nfs/dbraw/zinc/13/11/25/988131125.db2.gz PNNPOVRMZBZDOJ-ZIAGYGMSSA-N 1 3 239.407 1.532 20 0 BDADHO C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@]1(C)O ZINC001246587159 988149483 /nfs/dbraw/zinc/14/94/83/988149483.db2.gz FTPCOEUSFYODEE-MWWBDVBNSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586563 988150458 /nfs/dbraw/zinc/15/04/58/988150458.db2.gz RGSBJDUSWQZTGG-YVECIDJPSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586563 988150461 /nfs/dbraw/zinc/15/04/61/988150461.db2.gz RGSBJDUSWQZTGG-YVECIDJPSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC(C)(C)C[C@]2(C)CO)CCN1 ZINC001246588100 988158981 /nfs/dbraw/zinc/15/89/81/988158981.db2.gz JHEFWSRSBLQCKY-YRGRVCCFSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC(C)(C)C[C@]2(C)CO)CCN1 ZINC001246588100 988158993 /nfs/dbraw/zinc/15/89/93/988158993.db2.gz JHEFWSRSBLQCKY-YRGRVCCFSA-N 1 3 240.391 1.610 20 0 BDADHO CCCCC[C@@H](C)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621862 988270230 /nfs/dbraw/zinc/27/02/30/988270230.db2.gz GNJBCLGMZXGFKQ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)C[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246630259 988308898 /nfs/dbraw/zinc/30/88/98/988308898.db2.gz HZZBRRMGGWLIFX-GRYCIOLGSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H]1CC(N2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246641669 988346868 /nfs/dbraw/zinc/34/68/68/988346868.db2.gz WXRZBILFMHUNHE-YRRQLQLVSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645518 988367376 /nfs/dbraw/zinc/36/73/76/988367376.db2.gz BYHCNMRWUGTRTL-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645518 988367383 /nfs/dbraw/zinc/36/73/83/988367383.db2.gz BYHCNMRWUGTRTL-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@H](N2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645518 988367386 /nfs/dbraw/zinc/36/73/86/988367386.db2.gz BYHCNMRWUGTRTL-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(C)C)N(C)C ZINC001497964363 988436372 /nfs/dbraw/zinc/43/63/72/988436372.db2.gz OFZGWKCVZFAQEX-VXGBXAGGSA-N 1 3 243.395 1.077 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246688231 988436370 /nfs/dbraw/zinc/43/63/70/988436370.db2.gz DNRCMPARTOHLRM-RVMXOQNASA-N 1 3 225.380 1.151 20 0 BDADHO C[NH2+]CC[C@H](C)N1CCN[C@@H](c2ccccc2)C1 ZINC001246823548 988507728 /nfs/dbraw/zinc/50/77/28/988507728.db2.gz CSINLLKUWSIQLE-DZGCQCFKSA-N 1 3 247.386 1.631 20 0 BDADHO C[C@@H]1C[C@@H](N2CCN[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828946 988523128 /nfs/dbraw/zinc/52/31/28/988523128.db2.gz TXGSZYRBVREYNM-YUELXQCFSA-N 1 3 245.370 1.383 20 0 BDADHO COC(=O)CC[C@H]1CC[N@H+](C2CCNCC2)C1 ZINC001246834162 988533351 /nfs/dbraw/zinc/53/33/51/988533351.db2.gz MQKCBDGNMUIOHC-NSHDSACASA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)CC[C@H]1CC[N@@H+](C2CCNCC2)C1 ZINC001246834162 988533347 /nfs/dbraw/zinc/53/33/47/988533347.db2.gz MQKCBDGNMUIOHC-NSHDSACASA-N 1 3 240.347 1.014 20 0 BDADHO C1CC12CCCCN2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845222 988553155 /nfs/dbraw/zinc/55/31/55/988553155.db2.gz LQSRAUUZCVTGTP-GFCCVEGCSA-N 1 3 235.375 1.099 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847507 988565786 /nfs/dbraw/zinc/56/57/86/988565786.db2.gz SOLFSBKGYUZOPK-OCCSQVGLSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@@H]1C[C@@H]([NH+]2CCC(n3ccnc3)CC2)CCN1 ZINC001246847507 988565796 /nfs/dbraw/zinc/56/57/96/988565796.db2.gz SOLFSBKGYUZOPK-OCCSQVGLSA-N 1 3 248.374 1.661 20 0 BDADHO C1C[C@@]2(C[N@@H+]1C1CCNCC1)CCCOC2 ZINC001246854604 988577791 /nfs/dbraw/zinc/57/77/91/988577791.db2.gz QJPWSPCFQXQZME-CYBMUJFWSA-N 1 3 224.348 1.241 20 0 BDADHO C1C[C@@]2(C[N@H+]1C1CCNCC1)CCCOC2 ZINC001246854604 988577798 /nfs/dbraw/zinc/57/77/98/988577798.db2.gz QJPWSPCFQXQZME-CYBMUJFWSA-N 1 3 224.348 1.241 20 0 BDADHO C[C@H]1C[C@H](N2CCC(n3cccn3)CC2)CC[NH2+]1 ZINC001246866211 988615840 /nfs/dbraw/zinc/61/58/40/988615840.db2.gz ISFKUCPRTHXRGS-GXTWGEPZSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@H]1C[C@H]([NH+]2CCC(n3cccn3)CC2)CCN1 ZINC001246866211 988615857 /nfs/dbraw/zinc/61/58/57/988615857.db2.gz ISFKUCPRTHXRGS-GXTWGEPZSA-N 1 3 248.374 1.661 20 0 BDADHO CN[C@@H]1CCN1[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246901436 988666083 /nfs/dbraw/zinc/66/60/83/988666083.db2.gz XPBFTAJQBMHCDR-WOPDTQHZSA-N 1 3 225.380 1.404 20 0 BDADHO CCCC[C@@H]1C[C@@H](N2CC[C@H]2NC)CC[NH2+]1 ZINC001246901907 988673271 /nfs/dbraw/zinc/67/32/71/988673271.db2.gz FOJLRPSBRZPSQR-AGIUHOORSA-N 1 3 225.380 1.548 20 0 BDADHO CCCC[C@@H]1C[C@H](N2CC[C@H]2NC)CC[NH2+]1 ZINC001246901917 988674480 /nfs/dbraw/zinc/67/44/80/988674480.db2.gz FOJLRPSBRZPSQR-UPJWGTAASA-N 1 3 225.380 1.548 20 0 BDADHO C[NH2+]CC[C@H](C)N1CCNC2=CCCC[C@@H]21 ZINC001246997219 988827402 /nfs/dbraw/zinc/82/74/02/988827402.db2.gz SCDJQIFPRBABIA-AAEUAGOBSA-N 1 3 223.364 1.326 20 0 BDADHO c1ccc([C@@H]2C[C@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246994386 988828985 /nfs/dbraw/zinc/82/89/85/988828985.db2.gz PRBQBNPQOYJRKC-KGLIPLIRSA-N 1 3 231.343 1.342 20 0 BDADHO CO[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)[C@H](C)C1 ZINC001246997257 988829543 /nfs/dbraw/zinc/82/95/43/988829543.db2.gz TVMHHUMKYQECOM-FVCCEPFGSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)[C@H](C)C1 ZINC001246997257 988829545 /nfs/dbraw/zinc/82/95/45/988829545.db2.gz TVMHHUMKYQECOM-FVCCEPFGSA-N 1 3 226.364 1.626 20 0 BDADHO COC1(CNCCC[N@H+](C)C(C)C)CCC1 ZINC001119298137 988896622 /nfs/dbraw/zinc/89/66/22/988896622.db2.gz YBTHZIUWACCAKA-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO COC1(CNCCC[N@@H+](C)C(C)C)CCC1 ZINC001119298137 988896625 /nfs/dbraw/zinc/89/66/25/988896625.db2.gz YBTHZIUWACCAKA-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO COC1(C[NH2+]CCCN(C)C(C)C)CCC1 ZINC001119298137 988896627 /nfs/dbraw/zinc/89/66/27/988896627.db2.gz YBTHZIUWACCAKA-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@H](O)CN[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001120521372 989693606 /nfs/dbraw/zinc/69/36/06/989693606.db2.gz JPEYIHDJNGVGFF-SRVKXCTJSA-N 1 3 226.364 1.220 20 0 BDADHO C[NH2+]C1CC(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001122023596 990190618 /nfs/dbraw/zinc/19/06/18/990190618.db2.gz NYQMYKLMBOHKRP-UHFFFAOYSA-N 1 3 245.326 1.226 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073247 990222755 /nfs/dbraw/zinc/22/27/55/990222755.db2.gz DWHUFAHTVSWYPE-WHOHXGKFSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@]1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCCCO1 ZINC001308611988 991058400 /nfs/dbraw/zinc/05/84/00/991058400.db2.gz UEOSHFNQVXJUOV-JHJVBQTASA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H](Cc1ccco1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001258194269 991106876 /nfs/dbraw/zinc/10/68/76/991106876.db2.gz DFYYZSNQLKURFV-RWMBFGLXSA-N 1 3 234.343 1.704 20 0 BDADHO C[C@@H](Cc1ccco1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001258194269 991106877 /nfs/dbraw/zinc/10/68/77/991106877.db2.gz DFYYZSNQLKURFV-RWMBFGLXSA-N 1 3 234.343 1.704 20 0 BDADHO C[C@H]1C[C@@H](O)CN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC001559913330 991326778 /nfs/dbraw/zinc/32/67/78/991326778.db2.gz NHSRSXIPWPCBBL-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1C[C@@H](O)CN(CC[C@H]2CCC[N@H+]2C)C1 ZINC001559913330 991326787 /nfs/dbraw/zinc/32/67/87/991326787.db2.gz NHSRSXIPWPCBBL-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccnc(F)c1)CC2 ZINC001139835746 991396243 /nfs/dbraw/zinc/39/62/43/991396243.db2.gz KDPCOHUJRQYBLQ-UHFFFAOYSA-N 1 3 249.333 1.748 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccnnc1)CC2 ZINC001139985023 991460709 /nfs/dbraw/zinc/46/07/09/991460709.db2.gz HUMBHQQWGGYLHQ-UHFFFAOYSA-N 1 3 232.331 1.004 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1ccnnc1)CC2 ZINC001139985023 991460716 /nfs/dbraw/zinc/46/07/16/991460716.db2.gz HUMBHQQWGGYLHQ-UHFFFAOYSA-N 1 3 232.331 1.004 20 0 BDADHO CCC[NH+]1CCC(N2CCN3CC[C@H]3C2)CC1 ZINC001258777913 991745088 /nfs/dbraw/zinc/74/50/88/991745088.db2.gz NDOPVRPNLHLKLJ-AWEZNQCLSA-N 1 3 237.391 1.251 20 0 BDADHO CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001570653706 992495374 /nfs/dbraw/zinc/49/53/74/992495374.db2.gz VBNRUERVIHZCNL-VXGBXAGGSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)[C@H]1CC1(F)F ZINC001474757337 992529380 /nfs/dbraw/zinc/52/93/80/992529380.db2.gz UVXAZTYAPGTOLK-VSSNEEPJSA-N 1 3 244.329 1.960 20 0 BDADHO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccnc(CO)c1 ZINC001262354095 992856285 /nfs/dbraw/zinc/85/62/85/992856285.db2.gz YJQUSVTVLPYRQQ-UONOGXRCSA-N 1 3 249.358 1.859 20 0 BDADHO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCN1 ZINC001574796584 992910464 /nfs/dbraw/zinc/91/04/64/992910464.db2.gz YHOXXUPXIDMDAK-CYDGBPFRSA-N 1 3 236.359 1.286 20 0 BDADHO C(NC1([C@@H]2CCCO2)CCC1)[C@@H]1CC[NH2+]C1 ZINC001574816505 992918096 /nfs/dbraw/zinc/91/80/96/992918096.db2.gz GXFJTAZUCPXTBL-NEPJUHHUSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@H]1COCO1 ZINC001575130090 992992364 /nfs/dbraw/zinc/99/23/64/992992364.db2.gz FIBKUAMLQZKHDZ-QWRGUYRKSA-N 1 3 230.352 1.103 20 0 BDADHO CC(C)(CN)C[NH2+]C[C@H]1CCCN1CC(F)F ZINC001575315287 993003414 /nfs/dbraw/zinc/00/34/14/993003414.db2.gz NEGTYCBFFJFOHA-SNVBAGLBSA-N 1 3 249.349 1.290 20 0 BDADHO CC(C)(C[NH3+])CNC[C@H]1CCCN1CC(F)F ZINC001575315287 993003419 /nfs/dbraw/zinc/00/34/19/993003419.db2.gz NEGTYCBFFJFOHA-SNVBAGLBSA-N 1 3 249.349 1.290 20 0 BDADHO CC(C)(C[NH2+]C[C@@H]1CCN1)c1ccccc1 ZINC001575334518 993013322 /nfs/dbraw/zinc/01/33/22/993013322.db2.gz MAODBWJHWAYHSH-ZDUSSCGKSA-N 1 3 218.344 1.916 20 0 BDADHO CC(C)(CNC[C@]1(O)CC[NH2+]C1)c1ccccc1 ZINC001575334494 993014991 /nfs/dbraw/zinc/01/49/91/993014991.db2.gz LIPJDHHMNJEBEA-HNNXBMFYSA-N 1 3 248.370 1.278 20 0 BDADHO CC(C)(O)CN(C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC001575380620 993033479 /nfs/dbraw/zinc/03/34/79/993033479.db2.gz XTSMRTQYUAZTDA-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[C@H](CN)C[NH2+]CC[C@H](O)C1CCCC1 ZINC001575423062 993042442 /nfs/dbraw/zinc/04/24/42/993042442.db2.gz OPJSWQYAZQYPHR-KGLIPLIRSA-N 1 3 242.407 1.748 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC001575472976 993049320 /nfs/dbraw/zinc/04/93/20/993049320.db2.gz ROGJPFGAHPOYFH-UPJWGTAASA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC001575472976 993049326 /nfs/dbraw/zinc/04/93/26/993049326.db2.gz ROGJPFGAHPOYFH-UPJWGTAASA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)[C@@H](O)CCNC[C@H]([NH3+])CC(F)(F)F ZINC001575470864 993051124 /nfs/dbraw/zinc/05/11/24/993051124.db2.gz FDEQHNSQVXAZDM-BDAKNGLRSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC001575497663 993060114 /nfs/dbraw/zinc/06/01/14/993060114.db2.gz GCGPTAKFVQPYGX-DDHJBXDOSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)CC[C@@H](CO)[NH2+]CC(C)(C)CN ZINC001575555077 993067836 /nfs/dbraw/zinc/06/78/36/993067836.db2.gz PGKCALLNZXTYIM-NSHDSACASA-N 1 3 216.369 1.358 20 0 BDADHO CC(C)CC[C@H](CO)N[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC001575555333 993073563 /nfs/dbraw/zinc/07/35/63/993073563.db2.gz RMQHAEBXYDNTPP-MELADBBJSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@H](CCC[NH3+])NCc1ncccc1F ZINC001575951391 993136064 /nfs/dbraw/zinc/13/60/64/993136064.db2.gz APYGCVKWUOHTLH-SECBINFHSA-N 1 3 211.284 1.438 20 0 BDADHO C[C@H](C[NH2+]CC1(CN)CC1)C(=O)OC(C)(C)C ZINC001576033370 993161476 /nfs/dbraw/zinc/16/14/76/993161476.db2.gz QVRNHOMVEXMVOH-SNVBAGLBSA-N 1 3 242.363 1.293 20 0 BDADHO C[C@H](CNCC1(C[NH3+])CC1)C(=O)OC(C)(C)C ZINC001576033370 993161489 /nfs/dbraw/zinc/16/14/89/993161489.db2.gz QVRNHOMVEXMVOH-SNVBAGLBSA-N 1 3 242.363 1.293 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H](N)CC(F)F)N(C)C1CC1 ZINC001576032348 993161640 /nfs/dbraw/zinc/16/16/40/993161640.db2.gz CHZQFMOGLKKPPG-IUCAKERBSA-N 1 3 235.322 1.041 20 0 BDADHO C[C@H](Cc1ccno1)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001576065640 993167802 /nfs/dbraw/zinc/16/78/02/993167802.db2.gz GOIJYXAHXOXRKR-MIMYLULJSA-N 1 3 223.320 1.321 20 0 BDADHO C[C@]1(CCCO)CCC[N@@H+]1CCCNC1CC1 ZINC001576500950 993321309 /nfs/dbraw/zinc/32/13/09/993321309.db2.gz ONFDWGTZUIVRSU-CQSZACIVSA-N 1 3 240.391 1.756 20 0 BDADHO C[C@]1(CCCO)CCC[N@H+]1CCCNC1CC1 ZINC001576500950 993321317 /nfs/dbraw/zinc/32/13/17/993321317.db2.gz ONFDWGTZUIVRSU-CQSZACIVSA-N 1 3 240.391 1.756 20 0 BDADHO C[C@@H]1C[C@@H](C)CN(CC[NH2+][C@@H](CN)C2CC2)C1 ZINC001576590902 993361700 /nfs/dbraw/zinc/36/17/00/993361700.db2.gz DGSFHWAORBPTMC-BZPMIXESSA-N 1 3 239.407 1.291 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001576596854 993362045 /nfs/dbraw/zinc/36/20/45/993362045.db2.gz AVIRILROUCREFQ-YVECIDJPSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001576596854 993362050 /nfs/dbraw/zinc/36/20/50/993362050.db2.gz AVIRILROUCREFQ-YVECIDJPSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC001576623384 993373105 /nfs/dbraw/zinc/37/31/05/993373105.db2.gz KQBDHXUECULBAZ-JCIQBVFBSA-N 1 3 210.321 1.036 20 0 BDADHO CC[C@H](C)[C@@](C)(O)CNC[C@@H]([NH3+])CC(F)F ZINC001576962645 993467856 /nfs/dbraw/zinc/46/78/56/993467856.db2.gz UIRKZQRYMYPEEP-QXEWZRGKSA-N 1 3 238.322 1.356 20 0 BDADHO C[C@@H]1CN(C[C@@]2(C)CCCCO2)CC[C@@H]1[NH3+] ZINC001576801699 993426526 /nfs/dbraw/zinc/42/65/26/993426526.db2.gz UCVJAIKDISDKTQ-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1CN(C[C@@]2(C)CCCCO2)CC[C@H]1[NH3+] ZINC001576801700 993426910 /nfs/dbraw/zinc/42/69/10/993426910.db2.gz UCVJAIKDISDKTQ-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[C@@H]([NH3+])C2)CCC1=O ZINC001576807228 993430130 /nfs/dbraw/zinc/43/01/30/993430130.db2.gz OIVUIRIFILALMQ-OUAUKWLOSA-N 1 3 210.321 1.025 20 0 BDADHO CC[C@@H](C)[C@@H](CNC(C)(C)C[NH3+])OC ZINC001576972043 993477001 /nfs/dbraw/zinc/47/70/01/993477001.db2.gz QRFPYANLDRJTTJ-NXEZZACHSA-N 1 3 202.342 1.374 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104875 993480525 /nfs/dbraw/zinc/48/05/25/993480525.db2.gz CVNLSBBFGXEMPL-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104875 993480529 /nfs/dbraw/zinc/48/05/29/993480529.db2.gz CVNLSBBFGXEMPL-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CCC(CC)(CN)C[NH2+]C[C@@H](CO)C(C)C ZINC001577052098 993490548 /nfs/dbraw/zinc/49/05/48/993490548.db2.gz ICWUUSWOYNEXBS-LBPRGKRZSA-N 1 3 230.396 1.606 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](C)[C@@H]1COc2ccccc2C1 ZINC001577124437 993512969 /nfs/dbraw/zinc/51/29/69/993512969.db2.gz APPQYBVDUPVGFO-UBHSHLNASA-N 1 3 248.370 1.953 20 0 BDADHO CC[C@H]([NH2+]CC(C)(C)CN)[C@@H](O)C(C)C ZINC001577176308 993534401 /nfs/dbraw/zinc/53/44/01/993534401.db2.gz YSJXYGQATFYHFL-QWRGUYRKSA-N 1 3 216.369 1.356 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]CC2CNC2)CCO1 ZINC001577240873 993553593 /nfs/dbraw/zinc/55/35/93/993553593.db2.gz NSWLJSJQPWSIQR-CMPLNLGQSA-N 1 3 212.337 1.001 20 0 BDADHO CC[C@@H](C)N(C)C[C@H](O)C[NH+](CC)CC ZINC000389666114 993759442 /nfs/dbraw/zinc/75/94/42/993759442.db2.gz OIXBPSADVZENIP-NEPJUHHUSA-N 1 3 216.369 1.419 20 0 BDADHO Cc1ncsc1CCNC1CC[NH2+]CC1 ZINC000391187839 993809529 /nfs/dbraw/zinc/80/95/29/993809529.db2.gz MOIUPCLJGRYUJF-UHFFFAOYSA-N 1 3 225.361 1.336 20 0 BDADHO Cc1ncsc1CC[NH2+]C1CCNCC1 ZINC000391187839 993809531 /nfs/dbraw/zinc/80/95/31/993809531.db2.gz MOIUPCLJGRYUJF-UHFFFAOYSA-N 1 3 225.361 1.336 20 0 BDADHO N[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000393211558 993916135 /nfs/dbraw/zinc/91/61/35/993916135.db2.gz MDSVEXCVNHBBFE-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO N[C@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000393211558 993916144 /nfs/dbraw/zinc/91/61/44/993916144.db2.gz MDSVEXCVNHBBFE-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001265956405 993993583 /nfs/dbraw/zinc/99/35/83/993993583.db2.gz LVAVMWLLTZFFRO-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001265956405 993993593 /nfs/dbraw/zinc/99/35/93/993993593.db2.gz LVAVMWLLTZFFRO-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CCOC(C)(C)C[N@@H+]1CC[C@](C)(N)C1 ZINC000702662603 994032856 /nfs/dbraw/zinc/03/28/56/994032856.db2.gz AHRBWLFWEHAYNV-NSHDSACASA-N 1 3 200.326 1.225 20 0 BDADHO CCOC(C)(C)C[N@H+]1CC[C@](C)(N)C1 ZINC000702662603 994032861 /nfs/dbraw/zinc/03/28/61/994032861.db2.gz AHRBWLFWEHAYNV-NSHDSACASA-N 1 3 200.326 1.225 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCCSC1 ZINC000822127072 994416071 /nfs/dbraw/zinc/41/60/71/994416071.db2.gz FFAKEAJWNZEFFH-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO CC1(C)CN(C[C@H]2CC[NH2+]C2)CCCO1 ZINC000389863042 398143253 /nfs/dbraw/zinc/14/32/53/398143253.db2.gz FMSRPPRUDUTAGS-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO c1cn(CC[N@@H+]2CC[C@H](N3CCCC3)C2)cn1 ZINC000161566214 349473816 /nfs/dbraw/zinc/47/38/16/349473816.db2.gz NOAQIDNFVQQNOD-ZDUSSCGKSA-N 1 3 234.347 1.053 20 0 BDADHO c1cn(CC[N@H+]2CC[C@H](N3CCCC3)C2)cn1 ZINC000161566214 349473817 /nfs/dbraw/zinc/47/38/17/349473817.db2.gz NOAQIDNFVQQNOD-ZDUSSCGKSA-N 1 3 234.347 1.053 20 0 BDADHO CCN(CC)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000649371448 398182025 /nfs/dbraw/zinc/18/20/25/398182025.db2.gz GRCSGHICYHZMGT-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO COCC1CCC([NH2+][C@H](C)[C@H]2CCCN2)CC1 ZINC000423174717 398164683 /nfs/dbraw/zinc/16/46/83/398164683.db2.gz COGSEAOSONJHTO-BLYZHGLHSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1C ZINC000396714366 398167061 /nfs/dbraw/zinc/16/70/61/398167061.db2.gz QPOQORHKYYHOGG-VOAKCMCISA-N 1 3 225.380 1.199 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCCOC2)CCN1 ZINC000647796808 398201637 /nfs/dbraw/zinc/20/16/37/398201637.db2.gz OELRMJXWCFKDOE-ZYHUDNBSSA-N 1 3 210.321 1.063 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2=CCCOC2)CCN1 ZINC000647796806 398201727 /nfs/dbraw/zinc/20/17/27/398201727.db2.gz OELRMJXWCFKDOE-JQWIXIFHSA-N 1 3 210.321 1.063 20 0 BDADHO c1cncc(CC[N@H+](C2CC2)C2CCNCC2)c1 ZINC000649408916 398208478 /nfs/dbraw/zinc/20/84/78/398208478.db2.gz IROIRNQFIWLQOZ-UHFFFAOYSA-N 1 3 245.370 1.841 20 0 BDADHO c1cncc(CC[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000649408916 398208481 /nfs/dbraw/zinc/20/84/81/398208481.db2.gz IROIRNQFIWLQOZ-UHFFFAOYSA-N 1 3 245.370 1.841 20 0 BDADHO Cc1cc(C)n(CCN2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000386750723 398219223 /nfs/dbraw/zinc/21/92/23/398219223.db2.gz GLZVNXHCCAOQHT-QWHCGFSZSA-N 1 3 236.363 1.169 20 0 BDADHO C[NH2+]CCCC(=O)Nc1cccc2c1CCNC2 ZINC000576373688 365580263 /nfs/dbraw/zinc/58/02/63/365580263.db2.gz MXBCWTABKQGBHA-UHFFFAOYSA-N 1 3 247.342 1.270 20 0 BDADHO CC(C)N1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000229542234 538939537 /nfs/dbraw/zinc/93/95/37/538939537.db2.gz LUWLMFFPWHXYGN-OLZOCXBDSA-N 1 3 225.380 1.153 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000252777151 136226792 /nfs/dbraw/zinc/22/67/92/136226792.db2.gz KUXJKMIIFIGTHT-GDLCADMTSA-N 1 3 232.327 1.900 20 0 BDADHO COCC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166568040 361852920 /nfs/dbraw/zinc/85/29/20/361852920.db2.gz SRCBFKQHQDVCIW-GFCCVEGCSA-N 1 3 216.369 1.731 20 0 BDADHO OCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000183231774 538965864 /nfs/dbraw/zinc/96/58/64/538965864.db2.gz IBBWNTPQGNSYEY-CHWSQXEVSA-N 1 3 238.375 1.365 20 0 BDADHO OCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000183231774 538965866 /nfs/dbraw/zinc/96/58/66/538965866.db2.gz IBBWNTPQGNSYEY-CHWSQXEVSA-N 1 3 238.375 1.365 20 0 BDADHO Fc1cccc(CCCN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000348749025 136238029 /nfs/dbraw/zinc/23/80/29/136238029.db2.gz MKUWIDSEWWCMFE-OKILXGFUSA-N 1 3 248.345 1.910 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000045689907 538992813 /nfs/dbraw/zinc/99/28/13/538992813.db2.gz WWRHVNPHLJYRGK-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO CCO[C@H](C[NH+]1CCC(N(C)C)CC1)C1CC1 ZINC000625081402 342850178 /nfs/dbraw/zinc/85/01/78/342850178.db2.gz OOZWYUQXJMAVDJ-CQSZACIVSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000392271921 398316916 /nfs/dbraw/zinc/31/69/16/398316916.db2.gz VDOMDHGBYBTKDO-CMPLNLGQSA-N 1 3 226.389 1.732 20 0 BDADHO C[C@@H]([NH2+]CCn1ccnc1)[C@H]1CCCCN1 ZINC000385985658 342893210 /nfs/dbraw/zinc/89/32/10/342893210.db2.gz IOLHJFCXIXLHPQ-VXGBXAGGSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)Cn1cccn1)CN(C)C ZINC000309730258 398321800 /nfs/dbraw/zinc/32/18/00/398321800.db2.gz FEVQDKNWEZNRMK-NEPJUHHUSA-N 1 3 224.352 1.059 20 0 BDADHO C[C@H](CN[C@@H](C)Cn1cccn1)C[NH+](C)C ZINC000309730258 398321801 /nfs/dbraw/zinc/32/18/01/398321801.db2.gz FEVQDKNWEZNRMK-NEPJUHHUSA-N 1 3 224.352 1.059 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386046902 342905289 /nfs/dbraw/zinc/90/52/89/342905289.db2.gz UOBKQQRAOVDZPV-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000491572113 529442150 /nfs/dbraw/zinc/44/21/50/529442150.db2.gz LDUGUTSJASVXIP-MGPQQGTHSA-N 1 3 242.407 1.979 20 0 BDADHO CCN1CC[C@H]([NH2+]C2CCN(C)CC2)[C@@H](C)C1 ZINC000247945192 398337853 /nfs/dbraw/zinc/33/78/53/398337853.db2.gz HGFZWJYZCSMVLW-JSGCOSHPSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H](CCc1ccccc1)[NH2+]CCCN ZINC000037713158 342943336 /nfs/dbraw/zinc/94/33/36/342943336.db2.gz KWULJAAJHBSKHZ-LBPRGKRZSA-N 1 3 206.333 1.946 20 0 BDADHO CO[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000234833100 342957786 /nfs/dbraw/zinc/95/77/86/342957786.db2.gz MGXIMZNCKNZVES-HNNXBMFYSA-N 1 3 246.354 1.553 20 0 BDADHO C[C@H](F)CC[NH+]1CCC(N(C)C)CC1 ZINC000351850985 136257802 /nfs/dbraw/zinc/25/78/02/136257802.db2.gz IIWPAOLFLJZYSP-JTQLQIEISA-N 1 3 202.317 1.761 20 0 BDADHO C1C[C@@H](N2C[C@H]3[C@@H](C2)C[N@@H+]2CCCC[C@@H]32)CO1 ZINC000371464047 187222262 /nfs/dbraw/zinc/22/22/62/187222262.db2.gz NXWCKYBZTHVKSX-MQYQWHSLSA-N 1 3 236.359 1.191 20 0 BDADHO C1C[C@@H](N2C[C@H]3[C@@H](C2)C[N@H+]2CCCC[C@@H]32)CO1 ZINC000371464047 187222263 /nfs/dbraw/zinc/22/22/63/187222263.db2.gz NXWCKYBZTHVKSX-MQYQWHSLSA-N 1 3 236.359 1.191 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)C1CCOCC1 ZINC000235511996 343047852 /nfs/dbraw/zinc/04/78/52/343047852.db2.gz GMEWRQMIGWQJDX-CYZMBNFOSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CO1 ZINC000402110734 349793026 /nfs/dbraw/zinc/79/30/26/349793026.db2.gz DCAZJHAMCIZGPJ-NOOOWODRSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CO1 ZINC000402110734 349793027 /nfs/dbraw/zinc/79/30/27/349793027.db2.gz DCAZJHAMCIZGPJ-NOOOWODRSA-N 1 3 212.337 1.271 20 0 BDADHO CN(C)Cc1cccc(NC(=O)CC[NH3+])c1 ZINC000037019502 343330995 /nfs/dbraw/zinc/33/09/95/343330995.db2.gz MHAGNKJEELTRIT-UHFFFAOYSA-N 1 3 221.304 1.036 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000348757023 136297563 /nfs/dbraw/zinc/29/75/63/136297563.db2.gz SLPZSTJSJRYDPJ-WCQYABFASA-N 1 3 236.363 1.251 20 0 BDADHO CC[NH+](CC)Cc1cccc(NC(=O)CNC)c1 ZINC000037042953 343331653 /nfs/dbraw/zinc/33/16/53/343331653.db2.gz WLLDFKNFSIFJIT-UHFFFAOYSA-N 1 3 249.358 1.686 20 0 BDADHO Cn1cncc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335637923 136302813 /nfs/dbraw/zinc/30/28/13/136302813.db2.gz YSSXQUBMHDQEQO-CHWSQXEVSA-N 1 3 248.374 1.242 20 0 BDADHO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc2c(c1)CNC2 ZINC000335653816 136306238 /nfs/dbraw/zinc/30/62/38/136306238.db2.gz LZLAXQUFCUWUIU-SNVBAGLBSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2ccccc2)C1 ZINC000166216358 136309510 /nfs/dbraw/zinc/30/95/10/136309510.db2.gz FSUJYXLUYMHCNL-OCCSQVGLSA-N 1 3 218.344 1.898 20 0 BDADHO CC(C)[C@@H](C(=O)NCCCC[NH+](C)C)N(C)C ZINC000349140911 136324227 /nfs/dbraw/zinc/32/42/27/136324227.db2.gz BOIFQSLWJSGLOD-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H]1CCOC1 ZINC000166319951 136344460 /nfs/dbraw/zinc/34/44/60/136344460.db2.gz RRQMOPBGBKSHET-FZMZJTMJSA-N 1 3 246.354 1.804 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1N ZINC000082544837 343447068 /nfs/dbraw/zinc/44/70/68/343447068.db2.gz RRIWELIHBCUNAK-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1N ZINC000082544837 343447071 /nfs/dbraw/zinc/44/70/71/343447071.db2.gz RRIWELIHBCUNAK-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000082544837 343447074 /nfs/dbraw/zinc/44/70/74/343447074.db2.gz RRIWELIHBCUNAK-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[N@H+](CC[C@@H]1CCCO1)C1CCNCC1 ZINC000083528209 343488802 /nfs/dbraw/zinc/48/88/02/343488802.db2.gz NGDSWPLDJVDPEL-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCO1)C1CCNCC1 ZINC000083528209 343488806 /nfs/dbraw/zinc/48/88/06/343488806.db2.gz NGDSWPLDJVDPEL-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO CN(CC[C@@H]1CCCO1)C1CC[NH2+]CC1 ZINC000083528209 343488809 /nfs/dbraw/zinc/48/88/09/343488809.db2.gz NGDSWPLDJVDPEL-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO C1CCC(N2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC000019688681 343774073 /nfs/dbraw/zinc/77/40/73/343774073.db2.gz DMUQCZDFNXOKKA-UHFFFAOYSA-N 1 3 237.391 1.299 20 0 BDADHO COC[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000019904392 343774407 /nfs/dbraw/zinc/77/44/07/343774407.db2.gz RCSVQWFNWFIBJH-NSHDSACASA-N 1 3 214.353 1.484 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC1(C)COC1 ZINC000625791560 344075338 /nfs/dbraw/zinc/07/53/38/344075338.db2.gz NHRGLEWWHGYBLR-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC1(C)COC1 ZINC000625791560 344075340 /nfs/dbraw/zinc/07/53/40/344075340.db2.gz NHRGLEWWHGYBLR-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO C(C[C@H]1CCOC1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733673 344113929 /nfs/dbraw/zinc/11/39/29/344113929.db2.gz KWBFXWVRNXKIAR-XQQFMLRXSA-N 1 3 224.348 1.145 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000132131692 344279775 /nfs/dbraw/zinc/27/97/75/344279775.db2.gz PFZHDVRYURFJLX-OLZOCXBDSA-N 1 3 241.423 1.504 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000132428159 344302081 /nfs/dbraw/zinc/30/20/81/344302081.db2.gz ZECGGVQOYGZCFW-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)OC)C1 ZINC000132428159 344302083 /nfs/dbraw/zinc/30/20/83/344302083.db2.gz ZECGGVQOYGZCFW-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)OC)C1 ZINC000132428159 344302084 /nfs/dbraw/zinc/30/20/84/344302084.db2.gz ZECGGVQOYGZCFW-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO CSC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000389359620 344496963 /nfs/dbraw/zinc/49/69/63/344496963.db2.gz CUOGNDINFISMKT-GHMZBOCLSA-N 1 3 226.389 1.423 20 0 BDADHO Cc1nc(CNCCCC[NH+](C)C)cs1 ZINC000045598327 344573386 /nfs/dbraw/zinc/57/33/86/344573386.db2.gz DXNUDCCCGSIJGY-UHFFFAOYSA-N 1 3 227.377 1.883 20 0 BDADHO COc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000158323308 344597284 /nfs/dbraw/zinc/59/72/84/344597284.db2.gz LHBQRDROSBITGO-LBPRGKRZSA-N 1 3 249.358 1.651 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336782947 537852910 /nfs/dbraw/zinc/85/29/10/537852910.db2.gz ZBWYRSQDVNZBIL-OLZOCXBDSA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@@H]1CO[C@H](C)CN1CC[C@H]1CCC[NH2+]C1 ZINC000251919921 344682412 /nfs/dbraw/zinc/68/24/12/344682412.db2.gz YLBKTLOYNUDGFU-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000493535103 530056792 /nfs/dbraw/zinc/05/67/92/530056792.db2.gz YZQSQNYVZDASFK-MCIONIFRSA-N 1 3 240.391 1.611 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000493535105 530056982 /nfs/dbraw/zinc/05/69/82/530056982.db2.gz YZQSQNYVZDASFK-RDBSUJKOSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@@H](O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000075681717 344784294 /nfs/dbraw/zinc/78/42/94/344784294.db2.gz KJAPVVDGHRGWQN-CYBMUJFWSA-N 1 3 228.380 1.562 20 0 BDADHO COC[C@]1(CN[C@H](C)C(C)C)CCC[NH2+]1 ZINC000319005133 259381742 /nfs/dbraw/zinc/38/17/42/259381742.db2.gz NVNKPAXDIMPMAW-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO C([C@H]1CCSC1)[N@@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000300231223 187297972 /nfs/dbraw/zinc/29/79/72/187297972.db2.gz GOMXQUDRBACKBA-IJLUTSLNSA-N 1 3 226.389 1.423 20 0 BDADHO C([C@H]1CCSC1)[N@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000300231223 187297974 /nfs/dbraw/zinc/29/79/74/187297974.db2.gz GOMXQUDRBACKBA-IJLUTSLNSA-N 1 3 226.389 1.423 20 0 BDADHO COC[C@@]1(CN[C@H](C)C(C)C)CCC[NH2+]1 ZINC000319005130 259381820 /nfs/dbraw/zinc/38/18/20/259381820.db2.gz NVNKPAXDIMPMAW-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+](C)CCCC ZINC000154550881 345041982 /nfs/dbraw/zinc/04/19/82/345041982.db2.gz OVWWYHYHPRVTKD-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+](C)CCCC ZINC000154550881 345041984 /nfs/dbraw/zinc/04/19/84/345041984.db2.gz OVWWYHYHPRVTKD-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO COC[C@]1(CN[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000319005131 259381859 /nfs/dbraw/zinc/38/18/59/259381859.db2.gz NVNKPAXDIMPMAW-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@@]1(CN[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000319005132 259381868 /nfs/dbraw/zinc/38/18/68/259381868.db2.gz NVNKPAXDIMPMAW-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO OC1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000155799557 345104048 /nfs/dbraw/zinc/10/40/48/345104048.db2.gz YKQGSUPOBNAGAZ-QPPOZKHWSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000155799557 345104051 /nfs/dbraw/zinc/10/40/51/345104051.db2.gz YKQGSUPOBNAGAZ-QPPOZKHWSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000155799557 345104053 /nfs/dbraw/zinc/10/40/53/345104053.db2.gz YKQGSUPOBNAGAZ-QPPOZKHWSA-N 1 3 238.375 1.506 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000156600967 345189948 /nfs/dbraw/zinc/18/99/48/345189948.db2.gz AOGZLUFJDPEYAS-KBPBESRZSA-N 1 3 241.423 1.647 20 0 BDADHO Cc1cc(N)cc(CNC[C@@H](C[NH3+])C(C)C)c1 ZINC000634995530 345184947 /nfs/dbraw/zinc/18/49/47/345184947.db2.gz HOICNQFKGPWXSC-CYBMUJFWSA-N 1 3 235.375 1.898 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156138261 345127226 /nfs/dbraw/zinc/12/72/26/345127226.db2.gz LQJZEYHAOWBMNM-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156138261 345127227 /nfs/dbraw/zinc/12/72/27/345127227.db2.gz LQJZEYHAOWBMNM-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156138261 345127229 /nfs/dbraw/zinc/12/72/29/345127229.db2.gz LQJZEYHAOWBMNM-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO COC[C@H](CCC[NH3+])NCC(C)(C)F ZINC000635003247 345205392 /nfs/dbraw/zinc/20/53/92/345205392.db2.gz HMDSCFCWWOKPCP-VIFPVBQESA-N 1 3 206.305 1.078 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H](C)C[C@@H](C)N ZINC000635006051 345210682 /nfs/dbraw/zinc/21/06/82/345210682.db2.gz XFTSEWXDMVMKTB-OUAUKWLOSA-N 1 3 202.342 1.253 20 0 BDADHO CC(C)[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009456 345212229 /nfs/dbraw/zinc/21/22/29/345212229.db2.gz NHBUXGSZVYCACP-GFCCVEGCSA-N 1 3 248.374 1.948 20 0 BDADHO COC[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012716 345215362 /nfs/dbraw/zinc/21/53/62/345215362.db2.gz VKCMSLOWLVBRKI-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012716 345215366 /nfs/dbraw/zinc/21/53/66/345215366.db2.gz VKCMSLOWLVBRKI-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO COCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158493617 345340407 /nfs/dbraw/zinc/34/04/07/345340407.db2.gz VVVOQGMOJMVPQU-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO COCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158493617 345340411 /nfs/dbraw/zinc/34/04/11/345340411.db2.gz VVVOQGMOJMVPQU-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158493617 345340414 /nfs/dbraw/zinc/34/04/14/345340414.db2.gz VVVOQGMOJMVPQU-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158493617 345340416 /nfs/dbraw/zinc/34/04/16/345340416.db2.gz VVVOQGMOJMVPQU-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388181 /nfs/dbraw/zinc/38/81/81/345388181.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388183 /nfs/dbraw/zinc/38/81/83/345388183.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388185 /nfs/dbraw/zinc/38/81/85/345388185.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000158913683 345388187 /nfs/dbraw/zinc/38/81/87/345388187.db2.gz UJLSIAXTIPBZTK-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CC(C)OCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000158924983 345388638 /nfs/dbraw/zinc/38/86/38/345388638.db2.gz OJPDRTFSYHQQKT-YHWZYXNKSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)OCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000158924983 345388639 /nfs/dbraw/zinc/38/86/39/345388639.db2.gz OJPDRTFSYHQQKT-YHWZYXNKSA-N 1 3 226.364 1.626 20 0 BDADHO CCSCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000159237681 345417581 /nfs/dbraw/zinc/41/75/81/345417581.db2.gz BUYKMHWTIYKDDE-VHSXEESVSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000159237681 345417583 /nfs/dbraw/zinc/41/75/83/345417583.db2.gz BUYKMHWTIYKDDE-VHSXEESVSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000159237681 345417585 /nfs/dbraw/zinc/41/75/85/345417585.db2.gz BUYKMHWTIYKDDE-VHSXEESVSA-N 1 3 202.367 1.409 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCCCCO)c2ccccc21 ZINC000229108689 345438379 /nfs/dbraw/zinc/43/83/79/345438379.db2.gz FHKVJWKMLLKFKT-KBPBESRZSA-N 1 3 234.343 1.883 20 0 BDADHO CC(C)COCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397301875 323090332 /nfs/dbraw/zinc/09/03/32/323090332.db2.gz KRWQRTRINBFFTJ-IHRRRGAJSA-N 1 3 242.407 1.964 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@@H](C)[C@@H]1CCCO1 ZINC000309453982 187309125 /nfs/dbraw/zinc/30/91/25/187309125.db2.gz QNFHLZMKVOBNQY-STQMWFEESA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@@H](C)[C@@H]1CCCO1 ZINC000309453982 187309127 /nfs/dbraw/zinc/30/91/27/187309127.db2.gz QNFHLZMKVOBNQY-STQMWFEESA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309453982 187309129 /nfs/dbraw/zinc/30/91/29/187309129.db2.gz QNFHLZMKVOBNQY-STQMWFEESA-N 1 3 228.380 1.874 20 0 BDADHO Cc1ccc([C@H](CNC(=O)CC[NH3+])N(C)C)cc1 ZINC000237135796 178904880 /nfs/dbraw/zinc/90/48/80/178904880.db2.gz GTGPUMNMRXZWAX-ZDUSSCGKSA-N 1 3 249.358 1.063 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC1C[NH2+]C1 ZINC000307654540 345878118 /nfs/dbraw/zinc/87/81/18/345878118.db2.gz MRZMLAYKNHIFNP-WFASDCNBSA-N 1 3 245.370 1.068 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332060580 187365685 /nfs/dbraw/zinc/36/56/85/187365685.db2.gz YQQRXKDDQFKMIE-IJLUTSLNSA-N 1 3 214.353 1.253 20 0 BDADHO OCc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000641744634 362666837 /nfs/dbraw/zinc/66/68/37/362666837.db2.gz UFAPETODWJEBGC-UHFFFAOYSA-N 1 3 234.343 1.364 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CCc1cncn1C ZINC000641795942 362736472 /nfs/dbraw/zinc/73/64/72/362736472.db2.gz BQIXDNZDUGGTQV-ZDUSSCGKSA-N 1 3 238.379 1.268 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CCO1 ZINC000300369222 346433092 /nfs/dbraw/zinc/43/30/92/346433092.db2.gz CCKIGEUUJNGVEG-WRWGMCAJSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CCO1 ZINC000300369220 346433144 /nfs/dbraw/zinc/43/31/44/346433144.db2.gz CCKIGEUUJNGVEG-NOOOWODRSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2cncn2C)C1 ZINC000641797256 362743059 /nfs/dbraw/zinc/74/30/59/362743059.db2.gz ZMKOBKFDTWVPOF-NWDGAFQWSA-N 1 3 236.363 1.022 20 0 BDADHO c1n[nH]cc1CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000641798267 362743580 /nfs/dbraw/zinc/74/35/80/362743580.db2.gz DHNPFTWLMXSXNR-KBPBESRZSA-N 1 3 248.374 1.416 20 0 BDADHO c1cc(CN2CCC3(CC[NH2+]C3)CC2)sn1 ZINC000641797693 362745551 /nfs/dbraw/zinc/74/55/51/362745551.db2.gz GBFHZSZPMMXKIR-UHFFFAOYSA-N 1 3 237.372 1.719 20 0 BDADHO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000577094459 365813349 /nfs/dbraw/zinc/81/33/49/365813349.db2.gz GJXWKXCYCLXKDQ-CYDGBPFRSA-N 1 3 228.380 1.514 20 0 BDADHO COC[C@H](C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187353797 346570637 /nfs/dbraw/zinc/57/06/37/346570637.db2.gz CPTQOTDBTDMPPK-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000187353797 346570638 /nfs/dbraw/zinc/57/06/38/346570638.db2.gz CPTQOTDBTDMPPK-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000187353797 346570639 /nfs/dbraw/zinc/57/06/39/346570639.db2.gz CPTQOTDBTDMPPK-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000624119508 346650926 /nfs/dbraw/zinc/65/09/26/346650926.db2.gz DGBPMEPGIJMCHB-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO CC[C@](C)(O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000249367933 323139020 /nfs/dbraw/zinc/13/90/20/323139020.db2.gz MUACZSFLIAYLIY-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CC[C@](C)(O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000249367933 323139021 /nfs/dbraw/zinc/13/90/21/323139021.db2.gz MUACZSFLIAYLIY-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000334430274 347411076 /nfs/dbraw/zinc/41/10/76/347411076.db2.gz VADFYAQFQWJMOF-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCSC1 ZINC000577280542 365916248 /nfs/dbraw/zinc/91/62/48/365916248.db2.gz WSPSVUIGRHHHKZ-AEJSXWLSSA-N 1 3 202.367 1.455 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@@H]([NH3+])C[C@H]2C)O1 ZINC000251798512 362923191 /nfs/dbraw/zinc/92/31/91/362923191.db2.gz LVMUFSPIZVWESH-DDHJBXDOSA-N 1 3 212.337 1.366 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1CCCOC1 ZINC000070013916 490197245 /nfs/dbraw/zinc/19/72/45/490197245.db2.gz BLHXSDUUCNGIBC-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO C[N@@H+]1CC[C@H](NCC2=CCCOC2)CC1(C)C ZINC000623525354 362944543 /nfs/dbraw/zinc/94/45/43/362944543.db2.gz HQUYGJWPZWZCMY-ZDUSSCGKSA-N 1 3 238.375 1.796 20 0 BDADHO C[N@H+]1CC[C@H](NCC2=CCCOC2)CC1(C)C ZINC000623525354 362944546 /nfs/dbraw/zinc/94/45/46/362944546.db2.gz HQUYGJWPZWZCMY-ZDUSSCGKSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@@H](c1cnccn1)N1CCC[C@H](CC[NH3+])C1 ZINC000070480064 350015005 /nfs/dbraw/zinc/01/50/05/350015005.db2.gz HNBYZAOTZSSICC-NWDGAFQWSA-N 1 3 234.347 1.598 20 0 BDADHO C[C@@H]([NH3+])C1CCN([C@H](C)c2cnccn2)CC1 ZINC000070480051 350015142 /nfs/dbraw/zinc/01/51/42/350015142.db2.gz ZDEIPDMDOJTVDB-GHMZBOCLSA-N 1 3 234.347 1.597 20 0 BDADHO CCOC[C@H](C)[NH2+]CCCN(CC)CC ZINC000131450802 191015387 /nfs/dbraw/zinc/01/53/87/191015387.db2.gz YSFQSBUDUPPFFP-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132169678 191026372 /nfs/dbraw/zinc/02/63/72/191026372.db2.gz DOTDWQFRHDVYEW-BFHYXJOUSA-N 1 3 234.343 1.738 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)C1CCCC1 ZINC000219306860 350121987 /nfs/dbraw/zinc/12/19/87/350121987.db2.gz PKAOQSSOGPJMOC-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CC(=O)Nc1ccccc1C[NH2+]CCCN(C)C ZINC000090961107 191025343 /nfs/dbraw/zinc/02/53/43/191025343.db2.gz XVQRFNCKEUVQER-UHFFFAOYSA-N 1 3 249.358 1.686 20 0 BDADHO CC[C@@H](NC[C@@H]1CCCN1CC)[C@@H]1CCC[NH2+]1 ZINC000422755600 192455724 /nfs/dbraw/zinc/45/57/24/192455724.db2.gz KRGHPSQDGCUDHO-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357089944 180242461 /nfs/dbraw/zinc/24/24/61/180242461.db2.gz QDYRXJSOPPUTPU-UONOGXRCSA-N 1 3 248.374 1.123 20 0 BDADHO CC(C)OCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422756004 192456705 /nfs/dbraw/zinc/45/67/05/192456705.db2.gz INNXPSDTUUNDEF-FUNVUKJBSA-N 1 3 226.364 1.674 20 0 BDADHO Cc1ncsc1CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000228202133 180308655 /nfs/dbraw/zinc/30/86/55/180308655.db2.gz PXALRNXZOUZEDC-ONGXEEELSA-N 1 3 239.388 1.663 20 0 BDADHO CCCN(C)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000429184566 191100972 /nfs/dbraw/zinc/10/09/72/191100972.db2.gz QTDSIVZJKUYPMJ-CYBMUJFWSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCC[C@H]2O)CC[C@@H]1[NH3+] ZINC000328218631 350393921 /nfs/dbraw/zinc/39/39/21/350393921.db2.gz XRXZPDBSYHRCPX-MROQNXINSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)CC[C@@H]1N ZINC000328218631 350393922 /nfs/dbraw/zinc/39/39/22/350393922.db2.gz XRXZPDBSYHRCPX-MROQNXINSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)CC[C@@H]1N ZINC000328218631 350393923 /nfs/dbraw/zinc/39/39/23/350393923.db2.gz XRXZPDBSYHRCPX-MROQNXINSA-N 1 3 226.364 1.207 20 0 BDADHO C(C[NH2+][C@H]1CCCSC1)CN1CCCC1 ZINC000061571800 350518763 /nfs/dbraw/zinc/51/87/63/350518763.db2.gz NZVAHYDGYJNGHY-LBPRGKRZSA-N 1 3 228.405 1.958 20 0 BDADHO C(CN[C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000061571800 350518767 /nfs/dbraw/zinc/51/87/67/350518767.db2.gz NZVAHYDGYJNGHY-LBPRGKRZSA-N 1 3 228.405 1.958 20 0 BDADHO FCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128109754 490572054 /nfs/dbraw/zinc/57/20/54/490572054.db2.gz SICZQRYUZCWIGT-WDEREUQCSA-N 1 3 200.301 1.562 20 0 BDADHO FCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128109754 490572060 /nfs/dbraw/zinc/57/20/60/490572060.db2.gz SICZQRYUZCWIGT-WDEREUQCSA-N 1 3 200.301 1.562 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000337890912 350635884 /nfs/dbraw/zinc/63/58/84/350635884.db2.gz ZUGLSTINCPDWNU-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CNCC2=CCCOC2)C1 ZINC000337890912 350635886 /nfs/dbraw/zinc/63/58/86/350635886.db2.gz ZUGLSTINCPDWNU-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CC[N@H+]1CCC[C@@H](CNCC2=CCCOC2)C1 ZINC000337890912 350635889 /nfs/dbraw/zinc/63/58/89/350635889.db2.gz ZUGLSTINCPDWNU-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000036907813 358464394 /nfs/dbraw/zinc/46/43/94/358464394.db2.gz VBIBSXCZFKRXFQ-MELADBBJSA-N 1 3 241.423 1.647 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C1 ZINC000577626402 366024667 /nfs/dbraw/zinc/02/46/67/366024667.db2.gz DQBFGEZWFSPDKF-IJLUTSLNSA-N 1 3 234.347 1.127 20 0 BDADHO CNCc1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000637810004 351650338 /nfs/dbraw/zinc/65/03/38/351650338.db2.gz ZNTRFBQFBFLCNV-LBPRGKRZSA-N 1 3 245.326 1.392 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cn1 ZINC000577739766 366049242 /nfs/dbraw/zinc/04/92/42/366049242.db2.gz KPLCOFNCIDCPEY-OCCSQVGLSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CCN[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000577739766 366049245 /nfs/dbraw/zinc/04/92/45/366049245.db2.gz KPLCOFNCIDCPEY-OCCSQVGLSA-N 1 3 248.374 1.435 20 0 BDADHO CC(C)[C@@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000637849111 351706831 /nfs/dbraw/zinc/70/68/31/351706831.db2.gz MSKBSRWVVUDUQP-NSHDSACASA-N 1 3 243.395 1.064 20 0 BDADHO COC(=O)[C@@H]1CC[N@H+](C[C@@H](N)CC(C)C)[C@H]1C ZINC000414764599 351701132 /nfs/dbraw/zinc/70/11/32/351701132.db2.gz YQLYWAOIPAFSGU-SDDRHHMPSA-N 1 3 242.363 1.243 20 0 BDADHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](N)CC(C)C)[C@H]1C ZINC000414764599 351701135 /nfs/dbraw/zinc/70/11/35/351701135.db2.gz YQLYWAOIPAFSGU-SDDRHHMPSA-N 1 3 242.363 1.243 20 0 BDADHO CCNCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000577720045 366042712 /nfs/dbraw/zinc/04/27/12/366042712.db2.gz NQMJWRRYHUPAGA-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CC[NH2+][C@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000638066679 351938481 /nfs/dbraw/zinc/93/84/81/351938481.db2.gz KKVXHUTYSRIGLQ-LLVKDONJSA-N 1 3 249.358 1.685 20 0 BDADHO CC(C)(C)[NH2+]CCN1CCNCc2ccccc21 ZINC000414854702 351906193 /nfs/dbraw/zinc/90/61/93/351906193.db2.gz ZTPPVYXSYISJRS-UHFFFAOYSA-N 1 3 247.386 1.984 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000638084417 351960595 /nfs/dbraw/zinc/96/05/95/351960595.db2.gz LJBXYHPAWVMSAG-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638195269 352057989 /nfs/dbraw/zinc/05/79/89/352057989.db2.gz LARNLEIYJFOGCC-VXGBXAGGSA-N 1 3 241.379 1.008 20 0 BDADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[C@@H]1CCO1 ZINC000638378471 352189554 /nfs/dbraw/zinc/18/95/54/352189554.db2.gz XEQWBVJKCGJDGG-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[C@@H]1CCO1 ZINC000638378471 352189557 /nfs/dbraw/zinc/18/95/57/352189557.db2.gz XEQWBVJKCGJDGG-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C[C@@H]1CCO1 ZINC000638378471 352189560 /nfs/dbraw/zinc/18/95/60/352189560.db2.gz XEQWBVJKCGJDGG-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H](C[NH2+]CCC[C@H]1CCO1)CN1CCCC1 ZINC000638385332 352196001 /nfs/dbraw/zinc/19/60/01/352196001.db2.gz HWQWVWIJOGZFOP-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638409440 352218782 /nfs/dbraw/zinc/21/87/82/352218782.db2.gz MHDKIBGIAZPOLH-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCC2(O)CCC2)C1 ZINC000411115903 191160848 /nfs/dbraw/zinc/16/08/48/191160848.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCC2(O)CCC2)C1 ZINC000411115903 191160851 /nfs/dbraw/zinc/16/08/51/191160851.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000411115903 191160854 /nfs/dbraw/zinc/16/08/54/191160854.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000411115903 191160856 /nfs/dbraw/zinc/16/08/56/191160856.db2.gz JFTZSLIHYKPYPK-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO Cc1cn[nH]c1CNC[C@]1(C)CCC[NH2+]C1 ZINC000414915673 352266514 /nfs/dbraw/zinc/26/65/14/352266514.db2.gz ONBSHYISPCEHBM-GFCCVEGCSA-N 1 3 222.336 1.197 20 0 BDADHO CCSCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000405468464 352381811 /nfs/dbraw/zinc/38/18/11/352381811.db2.gz KJGBJRLTEOWGKZ-IUCAKERBSA-N 1 3 202.367 1.455 20 0 BDADHO CCSCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405468464 352381812 /nfs/dbraw/zinc/38/18/12/352381812.db2.gz KJGBJRLTEOWGKZ-IUCAKERBSA-N 1 3 202.367 1.455 20 0 BDADHO C[NH+]1CCC(CNCc2cc(C3CC3)no2)CC1 ZINC000638568007 352395746 /nfs/dbraw/zinc/39/57/46/352395746.db2.gz VAWPEMIDALVNMT-UHFFFAOYSA-N 1 3 249.358 1.983 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000638523004 352357334 /nfs/dbraw/zinc/35/73/34/352357334.db2.gz YURKGXAVOJXXGV-WCQYABFASA-N 1 3 249.358 1.130 20 0 BDADHO CC[NH+](CC)CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000040458426 352597954 /nfs/dbraw/zinc/59/79/54/352597954.db2.gz RIPLJYCKISUAGJ-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215563 352814955 /nfs/dbraw/zinc/81/49/55/352814955.db2.gz UGUUNNWUDGBBCZ-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215563 352814958 /nfs/dbraw/zinc/81/49/58/352814958.db2.gz UGUUNNWUDGBBCZ-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449631358 201991108 /nfs/dbraw/zinc/99/11/08/201991108.db2.gz KNUCGNPVKAUGGD-GVXVVHGQSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638815225 352996124 /nfs/dbraw/zinc/99/61/24/352996124.db2.gz BHHULMMZQDXKCY-UTUOFQBUSA-N 1 3 241.379 1.090 20 0 BDADHO CCN(CC)CCC[NH2+]CCC[C@H]1CCO1 ZINC000638865390 353039120 /nfs/dbraw/zinc/03/91/20/353039120.db2.gz VWZUOBZJWQNEPT-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CC[C@@H]1CCCCN1CCNC1=[NH+]CCCN1 ZINC000073840207 353118197 /nfs/dbraw/zinc/11/81/97/353118197.db2.gz DWLMWKJLQRURRI-GFCCVEGCSA-N 1 3 238.379 1.190 20 0 BDADHO C(CN[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000020128715 188005864 /nfs/dbraw/zinc/00/58/64/188005864.db2.gz CBCXEAWTIBXIBK-GFCCVEGCSA-N 1 3 228.405 1.958 20 0 BDADHO Cc1ncc(CNCC2CC[NH+](C)CC2)s1 ZINC000044515155 188044216 /nfs/dbraw/zinc/04/42/16/188044216.db2.gz RLZQCSFTUNDPSH-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[C@@H](C)[NH3+] ZINC000070315054 188047795 /nfs/dbraw/zinc/04/77/95/188047795.db2.gz FSRZWLNFPASERK-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451114 188049909 /nfs/dbraw/zinc/04/99/09/188049909.db2.gz YIWPBXNRFNDZNT-XDQVBPFNSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332060581 188052838 /nfs/dbraw/zinc/05/28/38/188052838.db2.gz YQQRXKDDQFKMIE-QJPTWQEYSA-N 1 3 214.353 1.253 20 0 BDADHO C(NC1CCCC1)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333559869 188054455 /nfs/dbraw/zinc/05/44/55/188054455.db2.gz KTPQLZSHXNLESK-UHFFFAOYSA-N 1 3 249.362 1.304 20 0 BDADHO C[C@H](CC(N)=O)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000252982593 353313825 /nfs/dbraw/zinc/31/38/25/353313825.db2.gz XEJMKZCMDWAZQP-QJPTWQEYSA-N 1 3 241.379 1.151 20 0 BDADHO OC1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000252978272 353314030 /nfs/dbraw/zinc/31/40/30/353314030.db2.gz BCBZDFQFMSRBHI-JHJVBQTASA-N 1 3 238.375 1.412 20 0 BDADHO CC1CCC(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000085282361 538116150 /nfs/dbraw/zinc/11/61/50/538116150.db2.gz ODMVQPVKHQBGKB-NWINJMCUSA-N 1 3 222.376 1.964 20 0 BDADHO CN[C@@H](C)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639066054 353377585 /nfs/dbraw/zinc/37/75/85/353377585.db2.gz SWGAHMFXKQYNFX-WDEREUQCSA-N 1 3 247.342 1.074 20 0 BDADHO CC(C)=CCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639101155 353523790 /nfs/dbraw/zinc/52/37/90/353523790.db2.gz XNKNWRZBDRQHTG-UHFFFAOYSA-N 1 3 240.391 1.778 20 0 BDADHO CCN1CCCC[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193309798 353589945 /nfs/dbraw/zinc/58/99/45/353589945.db2.gz DFIAOTSRUDMDDJ-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCC[C@@H]2CCO2)CC1 ZINC000639104718 353596184 /nfs/dbraw/zinc/59/61/84/353596184.db2.gz QKEGSYUYPOJIJX-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCC[C@@H]2CCO2)CC1 ZINC000639104718 353596185 /nfs/dbraw/zinc/59/61/85/353596185.db2.gz QKEGSYUYPOJIJX-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCC[C@@H]2CCO2)CC1 ZINC000639104718 353596187 /nfs/dbraw/zinc/59/61/87/353596187.db2.gz QKEGSYUYPOJIJX-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCC[C@@H]2CCO2)CC1 ZINC000639104717 353596316 /nfs/dbraw/zinc/59/63/16/353596316.db2.gz QKEGSYUYPOJIJX-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCC[C@@H]2CCO2)CC1 ZINC000639104717 353596320 /nfs/dbraw/zinc/59/63/20/353596320.db2.gz QKEGSYUYPOJIJX-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCC[C@@H]2CCO2)CC1 ZINC000639104717 353596323 /nfs/dbraw/zinc/59/63/23/353596323.db2.gz QKEGSYUYPOJIJX-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CN(CC)C[C@@H]2C)C1 ZINC000343557950 353920811 /nfs/dbraw/zinc/92/08/11/353920811.db2.gz GOHAHIVIBIXIQJ-MJBXVCDLSA-N 1 3 239.407 1.258 20 0 BDADHO CCC[N@H+](C)CCCN(C)CCN(C)C ZINC000344047179 354120960 /nfs/dbraw/zinc/12/09/60/354120960.db2.gz YQGWRAQYFXUWGA-UHFFFAOYSA-N 1 3 215.385 1.212 20 0 BDADHO CCC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344047179 354120962 /nfs/dbraw/zinc/12/09/62/354120962.db2.gz YQGWRAQYFXUWGA-UHFFFAOYSA-N 1 3 215.385 1.212 20 0 BDADHO CCCC[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449686767 202002253 /nfs/dbraw/zinc/00/22/53/202002253.db2.gz YBLCGQASRBGSHC-NEPJUHHUSA-N 1 3 241.379 1.152 20 0 BDADHO CCN(CCC[NH+](C)C)C[C@@H](OC)C1CC1 ZINC000639175985 354213010 /nfs/dbraw/zinc/21/30/10/354213010.db2.gz SPIGOPOTMLFIND-CYBMUJFWSA-N 1 3 228.380 1.685 20 0 BDADHO c1ccc2c(c1)CC[C@H](NC1CC[NH2+]CC1)CO2 ZINC000335171225 354935284 /nfs/dbraw/zinc/93/52/84/354935284.db2.gz YJCFWXVQYQRRBZ-AWEZNQCLSA-N 1 3 246.354 1.722 20 0 BDADHO c1ccc2c(c1)CC[C@H]([NH2+]C1CCNCC1)CO2 ZINC000335171225 354935287 /nfs/dbraw/zinc/93/52/87/354935287.db2.gz YJCFWXVQYQRRBZ-AWEZNQCLSA-N 1 3 246.354 1.722 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000346460650 354964473 /nfs/dbraw/zinc/96/44/73/354964473.db2.gz MXUZTBUEHZZEAW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCO2)C1 ZINC000346460650 354964476 /nfs/dbraw/zinc/96/44/76/354964476.db2.gz MXUZTBUEHZZEAW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCO2)C1 ZINC000346460650 354964478 /nfs/dbraw/zinc/96/44/78/354964478.db2.gz MXUZTBUEHZZEAW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000639233925 355216549 /nfs/dbraw/zinc/21/65/49/355216549.db2.gz YYFYXFAXAUQNSB-GRYCIOLGSA-N 1 3 213.369 1.009 20 0 BDADHO CCC1(CO)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346996342 355194915 /nfs/dbraw/zinc/19/49/15/355194915.db2.gz WLYCNCRMJCRBAZ-CYBMUJFWSA-N 1 3 240.391 1.471 20 0 BDADHO CCC1(CO)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346996342 355194918 /nfs/dbraw/zinc/19/49/18/355194918.db2.gz WLYCNCRMJCRBAZ-CYBMUJFWSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@@H]1C[C@@H](CN2CCC[C@@H]2C[NH3+])CCO1 ZINC000347011699 355205017 /nfs/dbraw/zinc/20/50/17/355205017.db2.gz GTXOPLKLOZLYPH-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO Cc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)on1 ZINC000335280505 355244271 /nfs/dbraw/zinc/24/42/71/355244271.db2.gz UAPSTIMSMWDNHX-GFCCVEGCSA-N 1 3 249.358 1.947 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000335287544 355256869 /nfs/dbraw/zinc/25/68/69/355256869.db2.gz IQAGWFBJJVRPSQ-ZDUSSCGKSA-N 1 3 233.359 1.747 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000261531934 535285684 /nfs/dbraw/zinc/28/56/84/535285684.db2.gz IKOGPMJAVXBCEB-QJPTWQEYSA-N 1 3 214.353 1.110 20 0 BDADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CCCNCC1 ZINC000415108448 191680351 /nfs/dbraw/zinc/68/03/51/191680351.db2.gz KTCYEEQFMIQBIT-LOWDOPEQSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000415082789 191673723 /nfs/dbraw/zinc/67/37/23/191673723.db2.gz OVSGBMRNQBIJDA-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO COC[C@@H](NCCC[N@H+](C)C(C)C)C1CC1 ZINC000166570294 355694442 /nfs/dbraw/zinc/69/44/42/355694442.db2.gz FPNVRWXROHUTAE-CYBMUJFWSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](NCCC[N@@H+](C)C(C)C)C1CC1 ZINC000166570294 355694445 /nfs/dbraw/zinc/69/44/45/355694445.db2.gz FPNVRWXROHUTAE-CYBMUJFWSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H]([NH2+]CCCN(C)C(C)C)C1CC1 ZINC000166570294 355694446 /nfs/dbraw/zinc/69/44/46/355694446.db2.gz FPNVRWXROHUTAE-CYBMUJFWSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccnn1C ZINC000192249732 356078065 /nfs/dbraw/zinc/07/80/65/356078065.db2.gz JRCNPMXQMBPFOY-NWDGAFQWSA-N 1 3 248.374 1.555 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490308 356308047 /nfs/dbraw/zinc/30/80/47/356308047.db2.gz WOBPZHWSGYPUFD-GFCCVEGCSA-N 1 3 235.331 1.171 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490308 356308050 /nfs/dbraw/zinc/30/80/50/356308050.db2.gz WOBPZHWSGYPUFD-GFCCVEGCSA-N 1 3 235.331 1.171 20 0 BDADHO Cc1ccccc1CCCN(C)C[C@H](O)C[NH3+] ZINC000420349604 192217280 /nfs/dbraw/zinc/21/72/80/192217280.db2.gz DHWKVIJJPSERBJ-CQSZACIVSA-N 1 3 236.359 1.179 20 0 BDADHO Cc1ccccc1CCC[N@@H+](C)C[C@H](O)CN ZINC000420349604 192217282 /nfs/dbraw/zinc/21/72/82/192217282.db2.gz DHWKVIJJPSERBJ-CQSZACIVSA-N 1 3 236.359 1.179 20 0 BDADHO Cc1ccccc1CCC[N@H+](C)C[C@H](O)CN ZINC000420349604 192217284 /nfs/dbraw/zinc/21/72/84/192217284.db2.gz DHWKVIJJPSERBJ-CQSZACIVSA-N 1 3 236.359 1.179 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC[C@H](N)[C@@H]1C ZINC000420350323 192217952 /nfs/dbraw/zinc/21/79/52/192217952.db2.gz GNRGEGHOSJZANO-JQWIXIFHSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000420350323 192217955 /nfs/dbraw/zinc/21/79/55/192217955.db2.gz GNRGEGHOSJZANO-JQWIXIFHSA-N 1 3 222.336 1.003 20 0 BDADHO CC(C)OC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000420312897 192210232 /nfs/dbraw/zinc/21/02/32/192210232.db2.gz JBNHJXMBFJJRTR-LBPRGKRZSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000420317452 192212713 /nfs/dbraw/zinc/21/27/13/192212713.db2.gz OQJPHJPBGCMPMZ-NSHDSACASA-N 1 3 228.336 1.143 20 0 BDADHO COC(=O)CCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420367148 192226329 /nfs/dbraw/zinc/22/63/29/192226329.db2.gz MPGYKUVSOGFJCW-LBPRGKRZSA-N 1 3 242.363 1.437 20 0 BDADHO CCC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420355722 192220744 /nfs/dbraw/zinc/22/07/44/192220744.db2.gz FQQUDZPKYAMPKE-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)CN ZINC000420359380 192221263 /nfs/dbraw/zinc/22/12/63/192221263.db2.gz VUNPQNIZZWRGDX-QWHCGFSZSA-N 1 3 240.322 1.528 20 0 BDADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CN ZINC000420359380 192221267 /nfs/dbraw/zinc/22/12/67/192221267.db2.gz VUNPQNIZZWRGDX-QWHCGFSZSA-N 1 3 240.322 1.528 20 0 BDADHO COCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420383695 192234504 /nfs/dbraw/zinc/23/45/04/192234504.db2.gz DNRSSHIOGOYZMU-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CN1CC[C@@H](NCCC[NH3+])[C@H]1c1ccccc1 ZINC000420390636 192236124 /nfs/dbraw/zinc/23/61/24/192236124.db2.gz ABXPQFIKPOBOBX-ZIAGYGMSSA-N 1 3 233.359 1.370 20 0 BDADHO COCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390129 192236214 /nfs/dbraw/zinc/23/62/14/192236214.db2.gz XZMAXIMUFMYIPR-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CN1CC[C@H](NCCC[NH3+])[C@@H]1c1ccccc1 ZINC000420390629 192236279 /nfs/dbraw/zinc/23/62/79/192236279.db2.gz ABXPQFIKPOBOBX-KBPBESRZSA-N 1 3 233.359 1.370 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C[C@H]1CN ZINC000420411540 192239487 /nfs/dbraw/zinc/23/94/87/192239487.db2.gz RVFANXZISXYXND-MCIONIFRSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1CN ZINC000420411540 192239490 /nfs/dbraw/zinc/23/94/90/192239490.db2.gz RVFANXZISXYXND-MCIONIFRSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000420411540 192239493 /nfs/dbraw/zinc/23/94/93/192239493.db2.gz RVFANXZISXYXND-MCIONIFRSA-N 1 3 240.391 1.862 20 0 BDADHO [NH3+]CCCN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000420416808 192241078 /nfs/dbraw/zinc/24/10/78/192241078.db2.gz VXOFAYZGIGQBRG-KBPBESRZSA-N 1 3 234.343 1.703 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631180707 356455244 /nfs/dbraw/zinc/45/52/44/356455244.db2.gz IJTAUJPVLLSUFK-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682662 356593643 /nfs/dbraw/zinc/59/36/43/356593643.db2.gz IACXLKDBVMYUHR-CQSZACIVSA-N 1 3 249.358 1.365 20 0 BDADHO CC[C@@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682662 356593645 /nfs/dbraw/zinc/59/36/45/356593645.db2.gz IACXLKDBVMYUHR-CQSZACIVSA-N 1 3 249.358 1.365 20 0 BDADHO C[C@@H](O)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684524 356600522 /nfs/dbraw/zinc/60/05/22/356600522.db2.gz WBAQNPIQAQHHJE-CYBMUJFWSA-N 1 3 249.358 1.365 20 0 BDADHO C[C@@H](O)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684524 356600523 /nfs/dbraw/zinc/60/05/23/356600523.db2.gz WBAQNPIQAQHHJE-CYBMUJFWSA-N 1 3 249.358 1.365 20 0 BDADHO CCN1[C@H](C)CN(C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000639742418 356631699 /nfs/dbraw/zinc/63/16/99/356631699.db2.gz LVYFCKLXNOGIPK-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO CCN1[C@H](C)CN(C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000639742418 356631703 /nfs/dbraw/zinc/63/17/03/356631703.db2.gz LVYFCKLXNOGIPK-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000423036528 192548586 /nfs/dbraw/zinc/54/85/86/192548586.db2.gz UGTUCRUDNYMTQH-RVMXOQNASA-N 1 3 228.380 1.907 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3ccncc3)C2)CC1 ZINC000639758950 356670249 /nfs/dbraw/zinc/67/02/49/356670249.db2.gz YKNLTRGHCRFWCF-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO CC(C)CCOCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167791056 134154362 /nfs/dbraw/zinc/15/43/62/134154362.db2.gz VWJQNUIRWKETFM-KGLIPLIRSA-N 1 3 242.407 1.966 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCc2n[nH]cc2C1 ZINC000578185495 366369503 /nfs/dbraw/zinc/36/95/03/366369503.db2.gz MLRWTIFVQSGUDF-OUCADQQQSA-N 1 3 248.374 1.517 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000450474830 202176872 /nfs/dbraw/zinc/17/68/72/202176872.db2.gz SPJGXERBZXFFAG-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000450474830 202176874 /nfs/dbraw/zinc/17/68/74/202176874.db2.gz SPJGXERBZXFFAG-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000450474829 202177303 /nfs/dbraw/zinc/17/73/03/202177303.db2.gz SPJGXERBZXFFAG-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000450474829 202177306 /nfs/dbraw/zinc/17/73/06/202177306.db2.gz SPJGXERBZXFFAG-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000450474831 202177853 /nfs/dbraw/zinc/17/78/53/202177853.db2.gz SPJGXERBZXFFAG-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000450474831 202177855 /nfs/dbraw/zinc/17/78/55/202177855.db2.gz SPJGXERBZXFFAG-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000353536561 538749470 /nfs/dbraw/zinc/74/94/70/538749470.db2.gz YDFINWMNEMECKM-STQMWFEESA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N(C)C ZINC000623403136 357066734 /nfs/dbraw/zinc/06/67/34/357066734.db2.gz LBBYITURGHCWDC-RYUDHWBXSA-N 1 3 227.396 1.399 20 0 BDADHO CNCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423244616 192648786 /nfs/dbraw/zinc/64/87/86/192648786.db2.gz LIQGJINRTATUNG-LBPRGKRZSA-N 1 3 220.316 1.189 20 0 BDADHO CCOC[C@H]1CCC[C@H]1NCC[NH2+]C ZINC000423235393 192644741 /nfs/dbraw/zinc/64/47/41/192644741.db2.gz ASCWXEAADCRRSC-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CCc1cc(CN[C@H](C)CCCC[NH3+])on1 ZINC000582719731 357370284 /nfs/dbraw/zinc/37/02/84/357370284.db2.gz FTPZPJIAIWBLJV-SNVBAGLBSA-N 1 3 225.336 1.844 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582667556 357358783 /nfs/dbraw/zinc/35/87/83/357358783.db2.gz SRECQRRXSQDSFW-MFKMUULPSA-N 1 3 249.358 1.135 20 0 BDADHO CC(C)[C@@H](NC[C@H](C)C[NH3+])c1cccnc1 ZINC000423299409 192688918 /nfs/dbraw/zinc/68/89/18/192688918.db2.gz QCUVLMGNILGPPV-DGCLKSJQSA-N 1 3 221.348 1.963 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583154256 357497763 /nfs/dbraw/zinc/49/77/63/357497763.db2.gz ZWKRXVMZIUGTHO-IRCOFANPSA-N 1 3 240.347 1.188 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000583154256 357497767 /nfs/dbraw/zinc/49/77/67/357497767.db2.gz ZWKRXVMZIUGTHO-IRCOFANPSA-N 1 3 240.347 1.188 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583154258 357497778 /nfs/dbraw/zinc/49/77/78/357497778.db2.gz ZWKRXVMZIUGTHO-NNYUYHANSA-N 1 3 240.347 1.188 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000583154258 357497781 /nfs/dbraw/zinc/49/77/81/357497781.db2.gz ZWKRXVMZIUGTHO-NNYUYHANSA-N 1 3 240.347 1.188 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898249 357578215 /nfs/dbraw/zinc/57/82/15/357578215.db2.gz WKWUASWJAZLGAA-YPMHNXCESA-N 1 3 236.363 1.035 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2ccn(C)n2)CC[N@H+]1C ZINC000230898249 357578216 /nfs/dbraw/zinc/57/82/16/357578216.db2.gz WKWUASWJAZLGAA-YPMHNXCESA-N 1 3 236.363 1.035 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710439 357572542 /nfs/dbraw/zinc/57/25/42/357572542.db2.gz XYVVRGHMYHXDJC-RYUDHWBXSA-N 1 3 243.395 1.160 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710434 357573183 /nfs/dbraw/zinc/57/31/83/357573183.db2.gz XYVVRGHMYHXDJC-NWDGAFQWSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)N ZINC000230712746 357573507 /nfs/dbraw/zinc/57/35/07/357573507.db2.gz BWFCMABGLUFWJG-UHFFFAOYSA-N 1 3 243.395 1.304 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000230489467 357526786 /nfs/dbraw/zinc/52/67/86/357526786.db2.gz GWWFJJGUSHFLBX-MGPQQGTHSA-N 1 3 242.407 1.891 20 0 BDADHO CC[C@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000131946777 325192844 /nfs/dbraw/zinc/19/28/44/325192844.db2.gz WAXMIPWXQFZZDW-LBPRGKRZSA-N 1 3 241.379 1.152 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCOCCN(C)C)C[C@@H]1C ZINC000231676521 357619473 /nfs/dbraw/zinc/61/94/73/357619473.db2.gz COVYQVZPPVGPAQ-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC2=CCOCC2)C1 ZINC000397770353 357695089 /nfs/dbraw/zinc/69/50/89/357695089.db2.gz PMOLLADKDSNERR-VXGBXAGGSA-N 1 3 210.321 1.193 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCOCCN(C)C ZINC000235294261 357852848 /nfs/dbraw/zinc/85/28/48/357852848.db2.gz VECMBENHEHKVRI-OLZOCXBDSA-N 1 3 242.407 1.979 20 0 BDADHO Cc1c[nH+]ccc1NCCN1CCCOCC1 ZINC000192846749 357857090 /nfs/dbraw/zinc/85/70/90/357857090.db2.gz HGXWCHJPJWYNPV-UHFFFAOYSA-N 1 3 235.331 1.524 20 0 BDADHO C[C@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000192604256 357845841 /nfs/dbraw/zinc/84/58/41/357845841.db2.gz JUWYQFPONZWPOL-CRWXNKLISA-N 1 3 240.391 1.874 20 0 BDADHO CN(C)Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000399230954 357899510 /nfs/dbraw/zinc/89/95/10/357899510.db2.gz JYFXTKWLSUQRRZ-UHFFFAOYSA-N 1 3 247.342 1.296 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000583747934 357933387 /nfs/dbraw/zinc/93/33/87/357933387.db2.gz KEJRCTZVSXVYIF-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO COCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000218640152 357962659 /nfs/dbraw/zinc/96/26/59/357962659.db2.gz BMVLYLSTWRTXSL-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCCNCC1 ZINC000168763439 134247987 /nfs/dbraw/zinc/24/79/87/134247987.db2.gz JVPHXQLFCDKRJF-LLVKDONJSA-N 1 3 214.353 1.269 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CCC[NH2+]CC1 ZINC000168763439 134247988 /nfs/dbraw/zinc/24/79/88/134247988.db2.gz JVPHXQLFCDKRJF-LLVKDONJSA-N 1 3 214.353 1.269 20 0 BDADHO CC[C@]1(O)CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000640036878 358136829 /nfs/dbraw/zinc/13/68/29/358136829.db2.gz YOOIRUZQSVECBD-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@]1(O)CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000640036878 358136833 /nfs/dbraw/zinc/13/68/33/358136833.db2.gz YOOIRUZQSVECBD-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@H](C)CO ZINC000450736818 202252083 /nfs/dbraw/zinc/25/20/83/202252083.db2.gz GXEIUIAWIHMJPE-VXGBXAGGSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)[C@H](C)CO ZINC000450736818 202252087 /nfs/dbraw/zinc/25/20/87/202252087.db2.gz GXEIUIAWIHMJPE-VXGBXAGGSA-N 1 3 216.369 1.325 20 0 BDADHO CCCN(CCN(C)C)C(=O)[C@@](C)([NH3+])CCC ZINC000041680317 358334062 /nfs/dbraw/zinc/33/40/62/358334062.db2.gz JFMSULCPYBUTLN-ZDUSSCGKSA-N 1 3 243.395 1.304 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000227914078 358366411 /nfs/dbraw/zinc/36/64/11/358366411.db2.gz DTQGYDIJPIEVTC-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO CC[NH+]1CCC(CNCc2ccccn2)CC1 ZINC000044517571 358388468 /nfs/dbraw/zinc/38/84/68/358388468.db2.gz BZBBQLBPPLYSKH-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1ccco1 ZINC000219311965 134281322 /nfs/dbraw/zinc/28/13/22/134281322.db2.gz RMNZNDLHIVRTSD-NSHDSACASA-N 1 3 226.320 1.508 20 0 BDADHO C[C@H](CN(C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130126762 358610749 /nfs/dbraw/zinc/61/07/49/358610749.db2.gz VFEZPABTLHQQFR-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN(C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130126762 358610751 /nfs/dbraw/zinc/61/07/51/358610751.db2.gz VFEZPABTLHQQFR-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO C(C[NH2+]C[C@@H]1CCCOC1)CN1CCCC1 ZINC000049332565 358683503 /nfs/dbraw/zinc/68/35/03/358683503.db2.gz PHEAQOAJOUZCKM-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]CCCN)CC2 ZINC000133238033 358748511 /nfs/dbraw/zinc/74/85/11/358748511.db2.gz AYOLRKCTKRLBJR-ZDUSSCGKSA-N 1 3 234.343 1.491 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NCCC[NH3+])CC2 ZINC000133238033 358748514 /nfs/dbraw/zinc/74/85/14/358748514.db2.gz AYOLRKCTKRLBJR-ZDUSSCGKSA-N 1 3 234.343 1.491 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]CCCN)CC2 ZINC000133237840 358748923 /nfs/dbraw/zinc/74/89/23/358748923.db2.gz AYOLRKCTKRLBJR-CYBMUJFWSA-N 1 3 234.343 1.491 20 0 BDADHO COc1ccc2c(c1)C[C@H](NCCC[NH3+])CC2 ZINC000133237840 358748926 /nfs/dbraw/zinc/74/89/26/358748926.db2.gz AYOLRKCTKRLBJR-CYBMUJFWSA-N 1 3 234.343 1.491 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCO[C@@H]2C)CC1 ZINC000134078636 358779203 /nfs/dbraw/zinc/77/92/03/358779203.db2.gz GYDLQLBTWVOPBE-DGCLKSJQSA-N 1 3 226.364 1.626 20 0 BDADHO CCCN1CCC([NH2+][C@H](C)CF)CC1 ZINC000308578918 491137183 /nfs/dbraw/zinc/13/71/83/491137183.db2.gz FRORVUFJLGHMLZ-SNVBAGLBSA-N 1 3 202.317 1.808 20 0 BDADHO CNCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000578324051 366513343 /nfs/dbraw/zinc/51/33/43/366513343.db2.gz HKNCSHDTFIEIPA-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000246445603 359090167 /nfs/dbraw/zinc/09/01/67/359090167.db2.gz OEWDKMXAAWOSJK-WCQYABFASA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](NCC1CC[NH+](C)CC1)c1nccn1C ZINC000070445352 359055929 /nfs/dbraw/zinc/05/59/29/359055929.db2.gz MGSVVHKLFMHTKW-NSHDSACASA-N 1 3 236.363 1.413 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247186367 359200527 /nfs/dbraw/zinc/20/05/27/359200527.db2.gz VMTVFTDPBUCSTM-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000247230816 359203663 /nfs/dbraw/zinc/20/36/63/359203663.db2.gz YGXYBQFRVCBFAV-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@H](COC)C2CC2)C1 ZINC000247230816 359203668 /nfs/dbraw/zinc/20/36/68/359203668.db2.gz YGXYBQFRVCBFAV-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@H](COC)C2CC2)C1 ZINC000247230816 359203670 /nfs/dbraw/zinc/20/36/70/359203670.db2.gz YGXYBQFRVCBFAV-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cnn(C)c1 ZINC000423405589 192746342 /nfs/dbraw/zinc/74/63/42/192746342.db2.gz ZUVKOLCESQWBNC-RTXFEEFZSA-N 1 3 236.363 1.601 20 0 BDADHO CCCC[NH+]1CCC(NC[C@@H](O)CC)CC1 ZINC000580435388 359545881 /nfs/dbraw/zinc/54/58/81/359545881.db2.gz XJBOMCOLFCZMMU-ZDUSSCGKSA-N 1 3 228.380 1.611 20 0 BDADHO COC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000578726408 366631983 /nfs/dbraw/zinc/63/19/83/366631983.db2.gz KJHLZXXHRMRELD-UTUOFQBUSA-N 1 3 214.353 1.247 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000089140797 359992949 /nfs/dbraw/zinc/99/29/49/359992949.db2.gz UFVNGOHDBHLISQ-CHWSQXEVSA-N 1 3 236.363 1.380 20 0 BDADHO CC(C)([NH3+])CNCC1(CCO)CCCC1 ZINC000578867289 366661790 /nfs/dbraw/zinc/66/17/90/366661790.db2.gz MHZJINZEKSPAIU-UHFFFAOYSA-N 1 3 214.353 1.256 20 0 BDADHO CC(C)[C@@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516884 360255335 /nfs/dbraw/zinc/25/53/35/360255335.db2.gz JZCFXZIJIQESCD-MGPQQGTHSA-N 1 3 242.407 1.904 20 0 BDADHO [NH3+]CCCOC1CCN(Cc2ccccn2)CC1 ZINC000094070527 360294075 /nfs/dbraw/zinc/29/40/75/360294075.db2.gz YJVNMGKZLXFATN-UHFFFAOYSA-N 1 3 249.358 1.411 20 0 BDADHO Cc1cc(C)cc(CNCCOCCC[NH3+])c1 ZINC000629398972 361046695 /nfs/dbraw/zinc/04/66/95/361046695.db2.gz KNLFFNXLIXUGTQ-UHFFFAOYSA-N 1 3 236.359 1.758 20 0 BDADHO COC1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629397370 361046855 /nfs/dbraw/zinc/04/68/55/361046855.db2.gz UGHBXGAERSXSMP-CQLXCSJHSA-N 1 3 226.364 1.674 20 0 BDADHO [NH3+]CCCOCCNC/C=C\c1ccccc1 ZINC000629398218 361049171 /nfs/dbraw/zinc/04/91/71/361049171.db2.gz PHEMAIFBBMQDIM-YWEYNIOJSA-N 1 3 234.343 1.655 20 0 BDADHO Cc1cccc(C)c1CNCCOCCC[NH3+] ZINC000629398538 361049284 /nfs/dbraw/zinc/04/92/84/361049284.db2.gz FADXBXKSXIBMFY-UHFFFAOYSA-N 1 3 236.359 1.758 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCN1CC(F)F ZINC000629520230 361116209 /nfs/dbraw/zinc/11/62/09/361116209.db2.gz UZIYOFAVCNQRQZ-MXWKQRLJSA-N 1 3 247.333 1.185 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccccc1C ZINC000629529305 361138190 /nfs/dbraw/zinc/13/81/90/361138190.db2.gz YRACVWBDEVFEEF-ZDUSSCGKSA-N 1 3 236.359 1.882 20 0 BDADHO Cc1ccc(C(C)(C)CN[C@H](C)C2C[NH2+]C2)nc1 ZINC000629523304 361124178 /nfs/dbraw/zinc/12/41/78/361124178.db2.gz LEQMIVDTEVBEJR-GFCCVEGCSA-N 1 3 247.386 1.865 20 0 BDADHO Cc1ccc(C(C)(C)C[NH2+][C@H](C)C2CNC2)nc1 ZINC000629523304 361124179 /nfs/dbraw/zinc/12/41/79/361124179.db2.gz LEQMIVDTEVBEJR-GFCCVEGCSA-N 1 3 247.386 1.865 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1ccccc1 ZINC000629524662 361125608 /nfs/dbraw/zinc/12/56/08/361125608.db2.gz SOSBLWNKEBFDGL-GFCCVEGCSA-N 1 3 234.343 1.845 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)F ZINC000631217246 361170540 /nfs/dbraw/zinc/17/05/40/361170540.db2.gz WCFFVUREZRFCKP-GARJFASQSA-N 1 3 248.317 1.219 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)F ZINC000631217246 361170547 /nfs/dbraw/zinc/17/05/47/361170547.db2.gz WCFFVUREZRFCKP-GARJFASQSA-N 1 3 248.317 1.219 20 0 BDADHO CCSCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000158578358 361204783 /nfs/dbraw/zinc/20/47/83/361204783.db2.gz AKWSTVFHFIXRPW-ZJUUUORDSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000158578959 361205694 /nfs/dbraw/zinc/20/56/94/361205694.db2.gz NEFYHUHYLDXJSM-MNOVXSKESA-N 1 3 216.394 1.799 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])N(CC)CC ZINC000578993305 366689886 /nfs/dbraw/zinc/68/98/86/366689886.db2.gz SJRCCECWIUGCET-SDDRHHMPSA-N 1 3 243.395 1.349 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622044080 370675878 /nfs/dbraw/zinc/67/58/78/370675878.db2.gz UIFJDDFKJMTOGK-LPEHRKFASA-N 1 3 218.291 1.749 20 0 BDADHO C[C@@H]([NH2+]CC[C@H](C)N)[C@H]1CCCOC1 ZINC000622045218 370678573 /nfs/dbraw/zinc/67/85/73/370678573.db2.gz HTEDGYFNRIRTRE-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H]1C[C@@H](O)CC[N@@H+]1CCCN1CCCCC1 ZINC000429170451 201075545 /nfs/dbraw/zinc/07/55/45/201075545.db2.gz KTPCIJGBPHZVSH-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H]1C[C@@H](O)CC[N@H+]1CCCN1CCCCC1 ZINC000429170451 201075549 /nfs/dbraw/zinc/07/55/49/201075549.db2.gz KTPCIJGBPHZVSH-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCC2=CCCOC2)C1 ZINC000379738566 361381134 /nfs/dbraw/zinc/38/11/34/361381134.db2.gz WILARBMIIIEFTC-NWDGAFQWSA-N 1 3 210.321 1.193 20 0 BDADHO C/C=C/CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629537073 361399866 /nfs/dbraw/zinc/39/98/66/361399866.db2.gz JOWDTNRQAFLIMI-YGAZSBKKSA-N 1 3 224.348 1.309 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1ccsc1 ZINC000629538041 361402202 /nfs/dbraw/zinc/40/22/02/361402202.db2.gz LVOBXWHGYZMCHY-JTQLQIEISA-N 1 3 228.361 1.764 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1CCCOC1 ZINC000629543568 361411466 /nfs/dbraw/zinc/41/14/66/361411466.db2.gz DCCLCMVPBDCDFD-NOOOWODRSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C1CNC1 ZINC000629540522 361414081 /nfs/dbraw/zinc/41/40/81/361414081.db2.gz VEWPITPHBLMRBA-HNCHTBHHSA-N 1 3 208.349 1.620 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@H](C)[C@H](CN)C1)C1CC1 ZINC000629540891 361415815 /nfs/dbraw/zinc/41/58/15/361415815.db2.gz YFQZLUSFPQCJNE-IACUBPJLSA-N 1 3 240.391 1.718 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@H](C)[C@H](CN)C1)C1CC1 ZINC000629540891 361415821 /nfs/dbraw/zinc/41/58/21/361415821.db2.gz YFQZLUSFPQCJNE-IACUBPJLSA-N 1 3 240.391 1.718 20 0 BDADHO COCC1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629535624 361409567 /nfs/dbraw/zinc/40/95/67/361409567.db2.gz CPZPNEXHMWENMU-BLYZHGLHSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](NCCOCCC[NH3+])c1ccncc1 ZINC000629535619 361409719 /nfs/dbraw/zinc/40/97/19/361409719.db2.gz CYVLCDJIWLSLII-CYBMUJFWSA-N 1 3 237.347 1.488 20 0 BDADHO Nc1ncccc1CN1CCC(CC[NH3+])CC1 ZINC000629545973 361426540 /nfs/dbraw/zinc/42/65/40/361426540.db2.gz DVNOOANFWYCDEG-UHFFFAOYSA-N 1 3 234.347 1.225 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000629547836 361431722 /nfs/dbraw/zinc/43/17/22/361431722.db2.gz VCDHKECESMWSKS-SQNXGDPESA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000629548365 361433289 /nfs/dbraw/zinc/43/32/89/361433289.db2.gz ZDTNDYDYPBYUBA-XQQFMLRXSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN(C)CC(F)F ZINC000629554694 361435841 /nfs/dbraw/zinc/43/58/41/361435841.db2.gz NQBRBZNQWWWJBE-GHMZBOCLSA-N 1 3 249.349 1.161 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000629550057 361443311 /nfs/dbraw/zinc/44/33/11/361443311.db2.gz XIDUDZQARNAHAI-XPXLGCRWSA-N 1 3 212.337 1.269 20 0 BDADHO CN(CCN[C@H]1CCCCC[C@@H]1[NH3+])CC(F)F ZINC000629556412 361449937 /nfs/dbraw/zinc/44/99/37/361449937.db2.gz PBMSGHQDXZATIX-QWRGUYRKSA-N 1 3 249.349 1.433 20 0 BDADHO FCC[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629580709 361469230 /nfs/dbraw/zinc/46/92/30/361469230.db2.gz FADQBMAXEHAUNY-OLZOCXBDSA-N 1 3 244.354 1.437 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CC=CC1)C2 ZINC000629596380 361483240 /nfs/dbraw/zinc/48/32/40/361483240.db2.gz XVMOUVOYJWADHL-OKILXGFUSA-N 1 3 220.360 1.884 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1sccc1C ZINC000629654491 361558800 /nfs/dbraw/zinc/55/88/00/361558800.db2.gz XZZVVKUQPUVEHN-UHFFFAOYSA-N 1 3 242.388 1.724 20 0 BDADHO C[NH2+]CCOCCN(C)C/C=C\c1ccccc1 ZINC000629654801 361559237 /nfs/dbraw/zinc/55/92/37/361559237.db2.gz RRHWMJORYQTWOP-TWGQIWQCSA-N 1 3 248.370 1.868 20 0 BDADHO COC1(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000629650013 361546537 /nfs/dbraw/zinc/54/65/37/361546537.db2.gz OHNRRSRVBHESTQ-GXTWGEPZSA-N 1 3 238.375 1.759 20 0 BDADHO Cc1cc(F)ccc1CN(C)CCOCC[NH3+] ZINC000629662957 361595539 /nfs/dbraw/zinc/59/55/39/361595539.db2.gz IPRRMYKTPGOGGK-UHFFFAOYSA-N 1 3 240.322 1.541 20 0 BDADHO CC[C@@](C)([NH2+]CCCN1CCCCC1)C(N)=O ZINC000161902488 201230838 /nfs/dbraw/zinc/23/08/38/201230838.db2.gz YZFYCVNSRIYOMD-CYBMUJFWSA-N 1 3 241.379 1.106 20 0 BDADHO CCOCCC[N@H+](CC)[C@@H]1CCCNCC1 ZINC000435630670 201279988 /nfs/dbraw/zinc/27/99/88/201279988.db2.gz YIFFAKYXBAOWIR-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CCOCCC[N@@H+](CC)[C@@H]1CCCNCC1 ZINC000435630670 201279989 /nfs/dbraw/zinc/27/99/89/201279989.db2.gz YIFFAKYXBAOWIR-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154568743 201283113 /nfs/dbraw/zinc/28/31/13/201283113.db2.gz MZQCBTLRXTZREW-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000154558470 201283403 /nfs/dbraw/zinc/28/34/03/201283403.db2.gz ANAPOPCTAAQWFF-ZYHUDNBSSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000154558470 201283408 /nfs/dbraw/zinc/28/34/08/201283408.db2.gz ANAPOPCTAAQWFF-ZYHUDNBSSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H](NCCC[NH3+])C1 ZINC000437795882 201373574 /nfs/dbraw/zinc/37/35/74/201373574.db2.gz HHWPYKFTMNOIPF-UKRRQHHQSA-N 1 3 247.386 1.760 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438090053 201388603 /nfs/dbraw/zinc/38/86/03/201388603.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438090053 201388606 /nfs/dbraw/zinc/38/86/06/201388606.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCOC2)C1 ZINC000438090053 201388609 /nfs/dbraw/zinc/38/86/09/201388609.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCOC2)C1 ZINC000438090053 201388611 /nfs/dbraw/zinc/38/86/11/201388611.db2.gz ACUGZUOHKYGAMX-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438207651 201398897 /nfs/dbraw/zinc/39/88/97/201398897.db2.gz AEBULTOZUMXLBR-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO Nc1ccc2c(c1)CC[C@H]2NCC1(C[NH3+])CC1 ZINC000573339160 364804667 /nfs/dbraw/zinc/80/46/67/364804667.db2.gz GOYGDKGGAAKCFM-CYBMUJFWSA-N 1 3 231.343 1.585 20 0 BDADHO NCC1(C[NH2+][C@@H]2CCc3cc(N)ccc32)CC1 ZINC000573339160 364804674 /nfs/dbraw/zinc/80/46/74/364804674.db2.gz GOYGDKGGAAKCFM-CYBMUJFWSA-N 1 3 231.343 1.585 20 0 BDADHO CN(C[C@@H]1CCCC[C@@H]1O)CC(C)(C)C[NH3+] ZINC000328191097 364817269 /nfs/dbraw/zinc/81/72/69/364817269.db2.gz PKWHZRJNKJCTCF-RYUDHWBXSA-N 1 3 228.380 1.454 20 0 BDADHO [NH3+]CCCCCCC(=O)NCCN1CCCC1 ZINC000035663346 181374954 /nfs/dbraw/zinc/37/49/54/181374954.db2.gz SQWRZHXYOTVJJA-UHFFFAOYSA-N 1 3 241.379 1.108 20 0 BDADHO CC[C@H](Cn1cncn1)NCCC[NH2+]C(C)C ZINC000574268979 365023073 /nfs/dbraw/zinc/02/30/73/365023073.db2.gz QRUNJVLQGFZXTR-GFCCVEGCSA-N 1 3 239.367 1.034 20 0 BDADHO [NH3+]CCOCCN1CCc2ccccc2C1 ZINC000032013764 181399173 /nfs/dbraw/zinc/39/91/73/181399173.db2.gz YYOBBUVEYJOYTF-UHFFFAOYSA-N 1 3 220.316 1.020 20 0 BDADHO CC(C)[NH+](CCCNCC1(O)CCC1)C(C)C ZINC000574750300 365133555 /nfs/dbraw/zinc/13/35/55/365133555.db2.gz NELPKXMXNYIGCH-UHFFFAOYSA-N 1 3 242.407 2.000 20 0 BDADHO COC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000576052485 365465999 /nfs/dbraw/zinc/46/59/99/365465999.db2.gz MDOXNXJTVIXZCC-RNJOBUHISA-N 1 3 242.363 1.040 20 0 BDADHO Cc1cc(N)cc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576121878 365494870 /nfs/dbraw/zinc/49/48/70/365494870.db2.gz PGMRAFLDPGPYFV-GXTWGEPZSA-N 1 3 233.359 1.937 20 0 BDADHO C[C@H]([NH2+]CCCO)[C@@H]1CCCN(C2CCC2)C1 ZINC000185709755 367140186 /nfs/dbraw/zinc/14/01/86/367140186.db2.gz BEJYEARRYAQAPZ-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO NCc1ccccc1OCCC1CC[NH2+]CC1 ZINC000579942892 367093786 /nfs/dbraw/zinc/09/37/86/367093786.db2.gz QAAKQWKGJWGQRV-UHFFFAOYSA-N 1 3 234.343 1.914 20 0 BDADHO FC1(CN2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000580833237 367181565 /nfs/dbraw/zinc/18/15/65/367181565.db2.gz COURIVGDZZHFIJ-GFCCVEGCSA-N 1 3 226.339 1.953 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](F)C2)C1 ZINC000581260170 367312625 /nfs/dbraw/zinc/31/26/25/367312625.db2.gz FESPGYYVXVXORF-ZRUFSTJUSA-N 1 3 200.301 1.737 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc(-n2cccn2)c1 ZINC000581297844 367326093 /nfs/dbraw/zinc/32/60/93/367326093.db2.gz AGLAYEQRPCKOKP-GFCCVEGCSA-N 1 3 244.342 1.557 20 0 BDADHO CN(C)c1cccc(CN(C)CCC[NH3+])c1 ZINC000382077760 367484231 /nfs/dbraw/zinc/48/42/31/367484231.db2.gz LOSDRPFSDLSWHW-UHFFFAOYSA-N 1 3 221.348 1.533 20 0 BDADHO CC(C)OCCCN(C)C1CC([NH3+])C1 ZINC000382885806 367565119 /nfs/dbraw/zinc/56/51/19/367565119.db2.gz TXVJJSOKBQAFMR-UHFFFAOYSA-N 1 3 200.326 1.223 20 0 BDADHO CC[C@@H](COC)NCCC[NH2+]C1CC1 ZINC000382547905 367535558 /nfs/dbraw/zinc/53/55/58/367535558.db2.gz ATWRJOCMDBPDBO-JTQLQIEISA-N 1 3 200.326 1.143 20 0 BDADHO CC[C@@H](COC)[NH2+]CCCNC1CC1 ZINC000382547905 367535565 /nfs/dbraw/zinc/53/55/65/367535565.db2.gz ATWRJOCMDBPDBO-JTQLQIEISA-N 1 3 200.326 1.143 20 0 BDADHO CCOC[C@H](C)NCCC[NH2+]C1CC1 ZINC000382550289 367537385 /nfs/dbraw/zinc/53/73/85/367537385.db2.gz UCVVXXNLLZIMPP-JTQLQIEISA-N 1 3 200.326 1.143 20 0 BDADHO CCOC[C@H](C)[NH2+]CCCNC1CC1 ZINC000382550289 367537388 /nfs/dbraw/zinc/53/73/88/367537388.db2.gz UCVVXXNLLZIMPP-JTQLQIEISA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](NCCC[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000382548459 367537428 /nfs/dbraw/zinc/53/74/28/367537428.db2.gz BJCGSNZKFXMSBH-JQWIXIFHSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]([NH2+]CCCNC1CC1)[C@@H]1CCCO1 ZINC000382548459 367537430 /nfs/dbraw/zinc/53/74/30/367537430.db2.gz BJCGSNZKFXMSBH-JQWIXIFHSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)CCN1CCC[NH3+] ZINC000382659668 367551610 /nfs/dbraw/zinc/55/16/10/367551610.db2.gz FEVWLZFFFQMOGT-AWEZNQCLSA-N 1 3 247.386 1.542 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000382842651 367563897 /nfs/dbraw/zinc/56/38/97/367563897.db2.gz WUNCLMALACLXMJ-STQMWFEESA-N 1 3 239.407 1.401 20 0 BDADHO CN(C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000581545838 367573251 /nfs/dbraw/zinc/57/32/51/367573251.db2.gz FLVZJXDYJQMOHR-NEPJUHHUSA-N 1 3 233.315 1.034 20 0 BDADHO OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000383464529 367624916 /nfs/dbraw/zinc/62/49/16/367624916.db2.gz NKKYIRFFOLFRKW-BFHYXJOUSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000581606411 367630122 /nfs/dbraw/zinc/63/01/22/367630122.db2.gz JECNJLZQHRUKJC-SNVBAGLBSA-N 1 3 247.342 1.204 20 0 BDADHO OCCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000383811659 367654297 /nfs/dbraw/zinc/65/42/97/367654297.db2.gz AQMZCZBTDUHTOC-ZDUSSCGKSA-N 1 3 226.364 1.080 20 0 BDADHO OCCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000383811659 367654299 /nfs/dbraw/zinc/65/42/99/367654299.db2.gz AQMZCZBTDUHTOC-ZDUSSCGKSA-N 1 3 226.364 1.080 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CCO[C@@H]1C ZINC000581661122 367660616 /nfs/dbraw/zinc/66/06/16/367660616.db2.gz NPBJOTWRYYVTCS-MNOVXSKESA-N 1 3 200.326 1.142 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@@H]1CN ZINC000384847700 367743293 /nfs/dbraw/zinc/74/32/93/367743293.db2.gz KHENTKWUDUGODV-MXWKQRLJSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)[C@H](C)O1 ZINC000384942447 367761654 /nfs/dbraw/zinc/76/16/54/367761654.db2.gz QWDAXPRWJVOJOS-GRYCIOLGSA-N 1 3 228.380 1.730 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCSCC[C@@H]1C ZINC000385409386 367826524 /nfs/dbraw/zinc/82/65/24/367826524.db2.gz SWXFYMYJPRANSO-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCSCC[C@@H]1C ZINC000385409386 367826528 /nfs/dbraw/zinc/82/65/28/367826528.db2.gz SWXFYMYJPRANSO-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@@H](NCCC1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386067037 367908322 /nfs/dbraw/zinc/90/83/22/367908322.db2.gz YTROQXNWEAALTJ-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NCCC1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386067033 367908655 /nfs/dbraw/zinc/90/86/55/367908655.db2.gz YTROQXNWEAALTJ-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000385956254 367889055 /nfs/dbraw/zinc/88/90/55/367889055.db2.gz DMIXETXWUMXWIN-REWJHTLYSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([NH2+]CCc1ccco1)[C@@H]1CCCCN1 ZINC000386011375 367897411 /nfs/dbraw/zinc/89/74/11/367897411.db2.gz MRFPMACDHJDBBM-AAEUAGOBSA-N 1 3 222.332 1.942 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000386560245 367992648 /nfs/dbraw/zinc/99/26/48/367992648.db2.gz IXLINWAGASNMSG-WRWGMCAJSA-N 1 3 246.420 1.219 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386446013 367973710 /nfs/dbraw/zinc/97/37/10/367973710.db2.gz NJMXNJXKCAJSPR-UMSGYPCISA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H](NCC(C)(C)CCCO)[C@@H]1CCCC[NH2+]1 ZINC000386518710 367985082 /nfs/dbraw/zinc/98/50/82/367985082.db2.gz YJKHEHMIZJQKHD-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCC(F)(F)F)C1 ZINC000086404105 368880179 /nfs/dbraw/zinc/88/01/79/368880179.db2.gz IGXXCVZVMMIRID-YUMQZZPRSA-N 1 3 210.243 1.798 20 0 BDADHO Cc1nn(C)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252851222 370137079 /nfs/dbraw/zinc/13/70/79/370137079.db2.gz HZOTVWLTQGAIMA-FPMFFAJLSA-N 1 3 248.374 1.288 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621372118 370310006 /nfs/dbraw/zinc/31/00/06/370310006.db2.gz PMPRXSGNPJCRQE-UONOGXRCSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621372118 370310010 /nfs/dbraw/zinc/31/00/10/370310010.db2.gz PMPRXSGNPJCRQE-UONOGXRCSA-N 1 3 242.407 1.669 20 0 BDADHO CCn1cc(CC[N@H+](C)C2CCNCC2)cn1 ZINC000621774335 370520180 /nfs/dbraw/zinc/52/01/80/370520180.db2.gz QZQJXSLBLGAOKC-UHFFFAOYSA-N 1 3 236.363 1.129 20 0 BDADHO CCn1cc(CC[N@@H+](C)C2CCNCC2)cn1 ZINC000621774335 370520189 /nfs/dbraw/zinc/52/01/89/370520189.db2.gz QZQJXSLBLGAOKC-UHFFFAOYSA-N 1 3 236.363 1.129 20 0 BDADHO Cc1cc(CN2CCC([C@@H](C)[NH3+])CC2)ccn1 ZINC000621773995 370519114 /nfs/dbraw/zinc/51/91/14/370519114.db2.gz HWQBNWPOICXWGC-GFCCVEGCSA-N 1 3 233.359 1.949 20 0 BDADHO CCn1cc(CCN2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000621775569 370522772 /nfs/dbraw/zinc/52/27/72/370522772.db2.gz SAPPDESVNQCIMK-AAEUAGOBSA-N 1 3 236.363 1.115 20 0 BDADHO O=c1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000631040037 370997868 /nfs/dbraw/zinc/99/78/68/370997868.db2.gz NZYHDSBFOIFZLX-LBPRGKRZSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000631040037 370997872 /nfs/dbraw/zinc/99/78/72/370997872.db2.gz NZYHDSBFOIFZLX-LBPRGKRZSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000631040037 370997875 /nfs/dbraw/zinc/99/78/75/370997875.db2.gz NZYHDSBFOIFZLX-LBPRGKRZSA-N 1 3 247.342 1.361 20 0 BDADHO CC(C)N1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257541 371443592 /nfs/dbraw/zinc/44/35/92/371443592.db2.gz HKOOGPQXJIJSOH-UHFFFAOYSA-N 1 3 249.358 1.750 20 0 BDADHO CC[NH+]1CCC(NCCN(C)CC(F)F)CC1 ZINC000624322143 371481744 /nfs/dbraw/zinc/48/17/44/371481744.db2.gz GAEOMVFBRFUQBV-UHFFFAOYSA-N 1 3 249.349 1.257 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CCC(C)([NH3+])CC1 ZINC000631824449 372588643 /nfs/dbraw/zinc/58/86/43/372588643.db2.gz GUCANGHXRSVJOQ-QWRGUYRKSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1OCC[C@H]1CN(C)C1CC[NH2+]CC1 ZINC000631821113 372594919 /nfs/dbraw/zinc/59/49/19/372594919.db2.gz PGQVHRMIVMVSBS-MNOVXSKESA-N 1 3 212.337 1.095 20 0 BDADHO Cc1nccnc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000631826330 372606317 /nfs/dbraw/zinc/60/63/17/372606317.db2.gz LCLVUTWEUISLCU-BETUJISGSA-N 1 3 246.358 1.216 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000631829655 372610385 /nfs/dbraw/zinc/61/03/85/372610385.db2.gz WZYAIWYTKQNGMI-MQYQWHSLSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000631829655 372610390 /nfs/dbraw/zinc/61/03/90/372610390.db2.gz WZYAIWYTKQNGMI-MQYQWHSLSA-N 1 3 240.391 1.861 20 0 BDADHO N[C@@H]1CCCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000631834693 372620563 /nfs/dbraw/zinc/62/05/63/372620563.db2.gz DEXKVVSEUQDOAF-OLZOCXBDSA-N 1 3 226.364 1.759 20 0 BDADHO N[C@@H]1CCCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000631834693 372620568 /nfs/dbraw/zinc/62/05/68/372620568.db2.gz DEXKVVSEUQDOAF-OLZOCXBDSA-N 1 3 226.364 1.759 20 0 BDADHO C[C@@H]1CN(CCc2cccnc2)C[C@H]1C[NH3+] ZINC000631841071 372638398 /nfs/dbraw/zinc/63/83/98/372638398.db2.gz XUAIROFBYQHYAW-DGCLKSJQSA-N 1 3 219.332 1.151 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H](N)C[C@@H]1C ZINC000631860853 372661705 /nfs/dbraw/zinc/66/17/05/372661705.db2.gz QUDVHJQVZRECRW-CMPLNLGQSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H](N)C[C@@H]1C ZINC000631860853 372661712 /nfs/dbraw/zinc/66/17/12/372661712.db2.gz QUDVHJQVZRECRW-CMPLNLGQSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](N)C[C@H]1C ZINC000631860855 372662473 /nfs/dbraw/zinc/66/24/73/372662473.db2.gz QUDVHJQVZRECRW-PWSUYJOCSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](N)C[C@H]1C ZINC000631860855 372662480 /nfs/dbraw/zinc/66/24/80/372662480.db2.gz QUDVHJQVZRECRW-PWSUYJOCSA-N 1 3 222.336 1.003 20 0 BDADHO CCOCC[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631883897 372679785 /nfs/dbraw/zinc/67/97/85/372679785.db2.gz DAWMGYCYFGWGLD-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCC[N@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631883897 372679790 /nfs/dbraw/zinc/67/97/90/372679790.db2.gz DAWMGYCYFGWGLD-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C([C@H]1CCCCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890094 372686954 /nfs/dbraw/zinc/68/69/54/372686954.db2.gz MCWNEHULHGQGNZ-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631890094 372686961 /nfs/dbraw/zinc/68/69/61/372686961.db2.gz MCWNEHULHGQGNZ-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631890094 372686967 /nfs/dbraw/zinc/68/69/67/372686967.db2.gz MCWNEHULHGQGNZ-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220959243 134315022 /nfs/dbraw/zinc/31/50/22/134315022.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220959243 134315023 /nfs/dbraw/zinc/31/50/23/134315023.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CCCN(C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357358901 169069181 /nfs/dbraw/zinc/06/91/81/169069181.db2.gz XWFYZNMHZQCHGC-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CCCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360621796 169088425 /nfs/dbraw/zinc/08/84/25/169088425.db2.gz RDTVIDSUUHNCMW-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000360621796 169088426 /nfs/dbraw/zinc/08/84/26/169088426.db2.gz RDTVIDSUUHNCMW-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCC[N@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000360621796 169088428 /nfs/dbraw/zinc/08/84/28/169088428.db2.gz RDTVIDSUUHNCMW-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCC[N@@H+](C)[C@H]1CCN(C2CCN(C)CC2)C1 ZINC000360621796 169088429 /nfs/dbraw/zinc/08/84/29/169088429.db2.gz RDTVIDSUUHNCMW-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@@](C)(N)CCC ZINC000226407788 169120372 /nfs/dbraw/zinc/12/03/72/169120372.db2.gz PMRCSVCVMDDBMB-ZDUSSCGKSA-N 1 3 243.395 1.352 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@@](C)(N)CCC ZINC000226407788 169120375 /nfs/dbraw/zinc/12/03/75/169120375.db2.gz PMRCSVCVMDDBMB-ZDUSSCGKSA-N 1 3 243.395 1.352 20 0 BDADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](N)CC)CC1 ZINC000038100781 169187025 /nfs/dbraw/zinc/18/70/25/169187025.db2.gz KHEAJRFUUMAUPJ-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCO[C@@H]2C)CC1 ZINC000119911284 169190104 /nfs/dbraw/zinc/19/01/04/169190104.db2.gz LVSWQVNTDGQRBU-DGCLKSJQSA-N 1 3 226.364 1.628 20 0 BDADHO CCCN1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000019502745 169202597 /nfs/dbraw/zinc/20/25/97/169202597.db2.gz OHMKGGFOHFZYQD-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000309983329 169206251 /nfs/dbraw/zinc/20/62/51/169206251.db2.gz XFXGAFFTVMEECU-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC2CC(OC)C2)C1 ZINC000309983329 169206253 /nfs/dbraw/zinc/20/62/53/169206253.db2.gz XFXGAFFTVMEECU-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC2CC(OC)C2)C1 ZINC000309983329 169206255 /nfs/dbraw/zinc/20/62/55/169206255.db2.gz XFXGAFFTVMEECU-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)on1 ZINC000309512052 183346744 /nfs/dbraw/zinc/34/67/44/183346744.db2.gz PTUIBDIPNUPTEB-PHIMTYICSA-N 1 3 221.304 1.106 20 0 BDADHO CCC[C@@H](C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336691990 169359237 /nfs/dbraw/zinc/35/92/37/169359237.db2.gz HJFZVSAQRLUAMC-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@@H](C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336691990 169359239 /nfs/dbraw/zinc/35/92/39/169359239.db2.gz HJFZVSAQRLUAMC-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768291 169388943 /nfs/dbraw/zinc/38/89/43/169388943.db2.gz WZKLYQMTKWHZLV-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H]1C[C@H](NCCOCC2CC2)CC[N@@H+]1C ZINC000223378426 134338816 /nfs/dbraw/zinc/33/88/16/134338816.db2.gz RUOHJBQAFPCMPA-WCQYABFASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@H](NCCOCC2CC2)CC[N@H+]1C ZINC000223378426 134338817 /nfs/dbraw/zinc/33/88/17/134338817.db2.gz RUOHJBQAFPCMPA-WCQYABFASA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]CCCN(C)C[C@H]1CCSC1 ZINC000224620243 134349325 /nfs/dbraw/zinc/34/93/25/134349325.db2.gz GTUGJRDUHMXNIE-SNVBAGLBSA-N 1 3 202.367 1.281 20 0 BDADHO CNCCC[N@H+](C)C[C@H]1CCSC1 ZINC000224620243 134349326 /nfs/dbraw/zinc/34/93/26/134349326.db2.gz GTUGJRDUHMXNIE-SNVBAGLBSA-N 1 3 202.367 1.281 20 0 BDADHO CNCCC[N@@H+](C)C[C@H]1CCSC1 ZINC000224620243 134349327 /nfs/dbraw/zinc/34/93/27/134349327.db2.gz GTUGJRDUHMXNIE-SNVBAGLBSA-N 1 3 202.367 1.281 20 0 BDADHO COc1cc([C@H](C)[NH2+]CCCN(C)C)ccn1 ZINC000558182746 383826906 /nfs/dbraw/zinc/82/69/06/383826906.db2.gz WCVKUGKYMYARKF-NSHDSACASA-N 1 3 237.347 1.693 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1COCC1(C)C ZINC000313073604 383836967 /nfs/dbraw/zinc/83/69/67/383836967.db2.gz HKDKHEURGZIEPS-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CN1CC=C(C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000278467010 384002349 /nfs/dbraw/zinc/00/23/49/384002349.db2.gz GJLXZVWYOKWLOH-ZDUSSCGKSA-N 1 3 222.332 1.531 20 0 BDADHO CC[C@]1(C)CC[N@H+](C[C@](C)(O)CNC)C1 ZINC000518547198 383996289 /nfs/dbraw/zinc/99/62/89/383996289.db2.gz YDTZXNKERHOTQT-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@]1(C)CC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000518547198 383996297 /nfs/dbraw/zinc/99/62/97/383996297.db2.gz YDTZXNKERHOTQT-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@]1(C)CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000518547198 383996304 /nfs/dbraw/zinc/99/63/04/383996304.db2.gz YDTZXNKERHOTQT-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H]1CN(C)CCN1CCC[NH+]1CCCC1 ZINC000564880800 383936356 /nfs/dbraw/zinc/93/63/56/383936356.db2.gz FFGJPEDYPRYTGH-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CC[C@@H]1CCCO1 ZINC000227736465 134385924 /nfs/dbraw/zinc/38/59/24/134385924.db2.gz PSOQIHLSVWJVDI-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO COC[C@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000300056562 383973660 /nfs/dbraw/zinc/97/36/60/383973660.db2.gz LSUVDGXHOYKLNN-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000300056562 383973667 /nfs/dbraw/zinc/97/36/67/383973667.db2.gz LSUVDGXHOYKLNN-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546759 384018002 /nfs/dbraw/zinc/01/80/02/384018002.db2.gz UNQZLSVPRYLOEF-JHJVBQTASA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H](CCCCO)N[C@H]1CCCC[NH2+]C1 ZINC000643545297 384012650 /nfs/dbraw/zinc/01/26/50/384012650.db2.gz XCRRHTDUSAMKKE-RYUDHWBXSA-N 1 3 214.353 1.269 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)O1 ZINC000643548386 384035378 /nfs/dbraw/zinc/03/53/78/384035378.db2.gz OPNGYRFNHITFTH-LPWJVIDDSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@@H](C)O1 ZINC000643548386 384035384 /nfs/dbraw/zinc/03/53/84/384035384.db2.gz OPNGYRFNHITFTH-LPWJVIDDSA-N 1 3 238.375 1.817 20 0 BDADHO CCOC[C@@H]1CCCCN1C[C@]1(C)CC[NH2+]C1 ZINC000313216731 384055381 /nfs/dbraw/zinc/05/53/81/384055381.db2.gz RSTMMMSNHRYIDJ-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846952 384122441 /nfs/dbraw/zinc/12/24/41/384122441.db2.gz UUOLOCOEYLMSOH-HNMFLPSRSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846952 384122444 /nfs/dbraw/zinc/12/24/44/384122444.db2.gz UUOLOCOEYLMSOH-HNMFLPSRSA-N 1 3 224.348 1.379 20 0 BDADHO CC(C)CCCN1CCCO[C@@H](C[NH3+])C1 ZINC000313345930 384274705 /nfs/dbraw/zinc/27/47/05/384274705.db2.gz IZIXWHFTEOFAMC-LBPRGKRZSA-N 1 3 214.353 1.472 20 0 BDADHO C(N[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000228556076 384275713 /nfs/dbraw/zinc/27/57/13/384275713.db2.gz RMEZHPMMNGDEKS-NXEZZACHSA-N 1 3 200.351 1.081 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000237622294 384318960 /nfs/dbraw/zinc/31/89/60/384318960.db2.gz RUBNPIMIOAYDKZ-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000401929011 384296746 /nfs/dbraw/zinc/29/67/46/384296746.db2.gz UKEQGLKUWSKKOH-CMPLNLGQSA-N 1 3 210.321 1.015 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)CO1 ZINC000401973425 384357237 /nfs/dbraw/zinc/35/72/37/384357237.db2.gz PUGDZXPGJXFDDG-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCCF)C[C@@H]1CN ZINC000397327641 384327788 /nfs/dbraw/zinc/32/77/88/384327788.db2.gz VUABRRKBVBQKRR-MXWKQRLJSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCF)C[C@@H]1CN ZINC000397327641 384327796 /nfs/dbraw/zinc/32/77/96/384327796.db2.gz VUABRRKBVBQKRR-MXWKQRLJSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCCF)C[C@@H]1C[NH3+] ZINC000397327641 384327802 /nfs/dbraw/zinc/32/78/02/384327802.db2.gz VUABRRKBVBQKRR-MXWKQRLJSA-N 1 3 202.317 1.651 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000393598567 384402754 /nfs/dbraw/zinc/40/27/54/384402754.db2.gz MCPIGECDUNHEIU-MNOVXSKESA-N 1 3 228.380 1.501 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccs1 ZINC000084218140 384376781 /nfs/dbraw/zinc/37/67/81/384376781.db2.gz VCYVXUYKJXNTMY-ONGXEEELSA-N 1 3 210.346 1.965 20 0 BDADHO CCCCOCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084220383 384377829 /nfs/dbraw/zinc/37/78/29/384377829.db2.gz PPACKNTYMHRLSH-VXGBXAGGSA-N 1 3 214.353 1.520 20 0 BDADHO CCCCOCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084220383 384377833 /nfs/dbraw/zinc/37/78/33/384377833.db2.gz PPACKNTYMHRLSH-VXGBXAGGSA-N 1 3 214.353 1.520 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cn[nH]c1 ZINC000305972631 384451012 /nfs/dbraw/zinc/45/10/12/384451012.db2.gz QCROLWFFRFJQQL-MNOVXSKESA-N 1 3 234.347 1.545 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568162146 384442201 /nfs/dbraw/zinc/44/22/01/384442201.db2.gz PBRBKWNMMBKRFE-WCQYABFASA-N 1 3 236.363 1.393 20 0 BDADHO C[NH+](C)CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000019439788 384521264 /nfs/dbraw/zinc/52/12/64/384521264.db2.gz HLJUZOFHJYJSSI-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271847169 384646036 /nfs/dbraw/zinc/64/60/36/384646036.db2.gz ICFVOBFNIUIVTE-LLVKDONJSA-N 1 3 234.347 1.333 20 0 BDADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271847169 384646043 /nfs/dbraw/zinc/64/60/43/384646043.db2.gz ICFVOBFNIUIVTE-LLVKDONJSA-N 1 3 234.347 1.333 20 0 BDADHO CC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000336659228 384685229 /nfs/dbraw/zinc/68/52/29/384685229.db2.gz IYKDDJLESCUBBV-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000336659228 384685235 /nfs/dbraw/zinc/68/52/35/384685235.db2.gz IYKDDJLESCUBBV-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO Nc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000647546617 384734213 /nfs/dbraw/zinc/73/42/13/384734213.db2.gz RZGOXJCRAFEFEO-RYUDHWBXSA-N 1 3 234.347 1.101 20 0 BDADHO CC[N@H+](C)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000054133207 384822147 /nfs/dbraw/zinc/82/21/47/384822147.db2.gz XEIUFJSTRUHBKB-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO CC[N@@H+](C)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000054133207 384822155 /nfs/dbraw/zinc/82/21/55/384822155.db2.gz XEIUFJSTRUHBKB-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO C[C@@H](C[NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000054343705 384831849 /nfs/dbraw/zinc/83/18/49/384831849.db2.gz PTJJULDGNNUNKS-WCQYABFASA-N 1 3 249.358 1.000 20 0 BDADHO C[C@@H](C[NH2+]C[C@H]1CCSC1)CN(C)C ZINC000308592423 384835602 /nfs/dbraw/zinc/83/56/02/384835602.db2.gz WGWJWZMIPPTZGD-WDEREUQCSA-N 1 3 216.394 1.527 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2CCC[NH2+]CC2)O1 ZINC000398107444 384807982 /nfs/dbraw/zinc/80/79/82/384807982.db2.gz AHZUEXCNMGWYCV-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)N ZINC000083903410 384812619 /nfs/dbraw/zinc/81/26/19/384812619.db2.gz ZGXMBVJXVWSWGP-JTQLQIEISA-N 1 3 235.331 1.342 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc(OC(F)F)cc1 ZINC000310156493 384865670 /nfs/dbraw/zinc/86/56/70/384865670.db2.gz QGZOPANFEOSQNK-VIFPVBQESA-N 1 3 244.285 1.972 20 0 BDADHO C[C@@H](CNCc1[nH]nc2ccccc21)C[NH+](C)C ZINC000644412696 384868817 /nfs/dbraw/zinc/86/88/17/384868817.db2.gz YFPGGRCMHLEHME-NSHDSACASA-N 1 3 246.358 1.850 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000310201912 384902372 /nfs/dbraw/zinc/90/23/72/384902372.db2.gz BWTMIOOWMSKGSI-UWVGGRQHSA-N 1 3 236.315 1.661 20 0 BDADHO C[C@H](O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000257771796 384926935 /nfs/dbraw/zinc/92/69/35/384926935.db2.gz NUDXLNCMMHYRMG-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000257771796 384926940 /nfs/dbraw/zinc/92/69/40/384926940.db2.gz NUDXLNCMMHYRMG-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000257771796 384926947 /nfs/dbraw/zinc/92/69/47/384926947.db2.gz NUDXLNCMMHYRMG-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000644531494 384932156 /nfs/dbraw/zinc/93/21/56/384932156.db2.gz ZTFHFYGVPNQRPI-QWHCGFSZSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@@H](O)CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000644531494 384932160 /nfs/dbraw/zinc/93/21/60/384932160.db2.gz ZTFHFYGVPNQRPI-QWHCGFSZSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@@H](O)CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000644531494 384932164 /nfs/dbraw/zinc/93/21/64/384932164.db2.gz ZTFHFYGVPNQRPI-QWHCGFSZSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000644531298 384933698 /nfs/dbraw/zinc/93/36/98/384933698.db2.gz IXHVOLIRXPCMMX-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](C)O)C1 ZINC000644531298 384933702 /nfs/dbraw/zinc/93/37/02/384933702.db2.gz IXHVOLIRXPCMMX-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](C)O)C1 ZINC000644531298 384933710 /nfs/dbraw/zinc/93/37/10/384933710.db2.gz IXHVOLIRXPCMMX-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@@H](C[NH2+]CC1(O)CCC1)CN1CCCCC1 ZINC000644525805 384936831 /nfs/dbraw/zinc/93/68/31/384936831.db2.gz JLNBOWSUQMOEPR-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@@H](CNCC1(O)CCC1)C[NH+]1CCCCC1 ZINC000644525805 384936837 /nfs/dbraw/zinc/93/68/37/384936837.db2.gz JLNBOWSUQMOEPR-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000644603632 384998367 /nfs/dbraw/zinc/99/83/67/384998367.db2.gz JHANKDQCOYSKHP-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000644603632 384998375 /nfs/dbraw/zinc/99/83/75/384998375.db2.gz JHANKDQCOYSKHP-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000644603632 384998379 /nfs/dbraw/zinc/99/83/79/384998379.db2.gz JHANKDQCOYSKHP-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397285 385007937 /nfs/dbraw/zinc/00/79/37/385007937.db2.gz DTOJTHXRXBZCFB-AAEUAGOBSA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397285 385007943 /nfs/dbraw/zinc/00/79/43/385007943.db2.gz DTOJTHXRXBZCFB-AAEUAGOBSA-N 1 3 243.395 1.350 20 0 BDADHO CCO[C@H](CC[NH+](C)C)CNCc1ccco1 ZINC000150986113 385076010 /nfs/dbraw/zinc/07/60/10/385076010.db2.gz DPFPETGEBFPXLI-CYBMUJFWSA-N 1 3 240.347 1.726 20 0 BDADHO C[C@](O)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403644 385044109 /nfs/dbraw/zinc/04/41/09/385044109.db2.gz LFZDCBIZEWOIRL-IHRRRGAJSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@](O)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403644 385044115 /nfs/dbraw/zinc/04/41/15/385044115.db2.gz LFZDCBIZEWOIRL-IHRRRGAJSA-N 1 3 238.375 1.364 20 0 BDADHO C1CC12C[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181276 385109181 /nfs/dbraw/zinc/10/91/81/385109181.db2.gz BTJNLRXZRCSBOR-TUAOUCFPSA-N 1 3 206.333 1.755 20 0 BDADHO C1CC12C[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181276 385109183 /nfs/dbraw/zinc/10/91/83/385109183.db2.gz BTJNLRXZRCSBOR-TUAOUCFPSA-N 1 3 206.333 1.755 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000177837636 385121710 /nfs/dbraw/zinc/12/17/10/385121710.db2.gz HQDFXUUXCBIYGB-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000177837636 385121715 /nfs/dbraw/zinc/12/17/15/385121715.db2.gz HQDFXUUXCBIYGB-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H]1C[C@H](NCCOCC(F)F)CC[N@@H+]1C ZINC000188744103 385088032 /nfs/dbraw/zinc/08/80/32/385088032.db2.gz RNUAPQAQWMJXAQ-NXEZZACHSA-N 1 3 236.306 1.340 20 0 BDADHO C[C@@H]1C[C@H](NCCOCC(F)F)CC[N@H+]1C ZINC000188744103 385088036 /nfs/dbraw/zinc/08/80/36/385088036.db2.gz RNUAPQAQWMJXAQ-NXEZZACHSA-N 1 3 236.306 1.340 20 0 BDADHO C([C@@H]1CCSC1)[N@H+](C1CC1)C1CCNCC1 ZINC000647482659 385212156 /nfs/dbraw/zinc/21/21/56/385212156.db2.gz WMDHWVPFABQADT-NSHDSACASA-N 1 3 240.416 1.956 20 0 BDADHO C([C@@H]1CCSC1)[N@@H+](C1CC1)C1CCNCC1 ZINC000647482659 385212163 /nfs/dbraw/zinc/21/21/63/385212163.db2.gz WMDHWVPFABQADT-NSHDSACASA-N 1 3 240.416 1.956 20 0 BDADHO C([C@@H]1CCSC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647482659 385212171 /nfs/dbraw/zinc/21/21/71/385212171.db2.gz WMDHWVPFABQADT-NSHDSACASA-N 1 3 240.416 1.956 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076329 385235010 /nfs/dbraw/zinc/23/50/10/385235010.db2.gz ZKIVUGSNIMPRNC-NOZJJQNGSA-N 1 3 245.326 1.226 20 0 BDADHO Cc1ccc([O-])c(CN2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228064598 385324143 /nfs/dbraw/zinc/32/41/43/385324143.db2.gz PZIYGENJNIOVTP-GHMZBOCLSA-N 1 3 235.331 1.265 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000228064598 385324147 /nfs/dbraw/zinc/32/41/47/385324147.db2.gz PZIYGENJNIOVTP-GHMZBOCLSA-N 1 3 235.331 1.265 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)OC ZINC000308994918 385335647 /nfs/dbraw/zinc/33/56/47/385335647.db2.gz PJACQVIQKMTLBD-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)OC ZINC000308994919 385336517 /nfs/dbraw/zinc/33/65/17/385336517.db2.gz PJACQVIQKMTLBD-TUAOUCFPSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000165111562 385351932 /nfs/dbraw/zinc/35/19/32/385351932.db2.gz UIDBOKOTWWIKAX-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000165111562 385351938 /nfs/dbraw/zinc/35/19/38/385351938.db2.gz UIDBOKOTWWIKAX-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCCC(C)(C)C1 ZINC000390505882 385352693 /nfs/dbraw/zinc/35/26/93/385352693.db2.gz WNLJOGFLWJCUCX-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCCC(C)(C)C1 ZINC000390505882 385352698 /nfs/dbraw/zinc/35/26/98/385352698.db2.gz WNLJOGFLWJCUCX-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCC1(C)C ZINC000309031647 385379164 /nfs/dbraw/zinc/37/91/64/385379164.db2.gz CAGJLSLXWLYBCD-NSHDSACASA-N 1 3 214.353 1.343 20 0 BDADHO C[N@@H+]1CCC[C@@H](NC2CSC2)CC1 ZINC000258052387 385529745 /nfs/dbraw/zinc/52/97/45/385529745.db2.gz KBOMJYDHHGLQET-SECBINFHSA-N 1 3 200.351 1.176 20 0 BDADHO C[N@H+]1CCC[C@@H](NC2CSC2)CC1 ZINC000258052387 385529746 /nfs/dbraw/zinc/52/97/46/385529746.db2.gz KBOMJYDHHGLQET-SECBINFHSA-N 1 3 200.351 1.176 20 0 BDADHO COC1(C[N@@H+]2CC[C@@](C)(CN)C2)CCCC1 ZINC000319104840 385543848 /nfs/dbraw/zinc/54/38/48/385543848.db2.gz XVISJZRHYVAPSP-LBPRGKRZSA-N 1 3 226.364 1.616 20 0 BDADHO COC1(C[N@H+]2CC[C@@](C)(CN)C2)CCCC1 ZINC000319104840 385543852 /nfs/dbraw/zinc/54/38/52/385543852.db2.gz XVISJZRHYVAPSP-LBPRGKRZSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000309401464 385571540 /nfs/dbraw/zinc/57/15/40/385571540.db2.gz VHTCLKJASIZGTP-QWRGUYRKSA-N 1 3 224.323 1.941 20 0 BDADHO c1ccc2c(c1)C[C@H](C[NH2+]C1CCNCC1)O2 ZINC000038041581 385599361 /nfs/dbraw/zinc/59/93/61/385599361.db2.gz QZVWOIHPHJNNAV-CYBMUJFWSA-N 1 3 232.327 1.332 20 0 BDADHO c1ccc2c(c1)C[C@@H](C[NH2+]C1CCNCC1)O2 ZINC000038041582 385599666 /nfs/dbraw/zinc/59/96/66/385599666.db2.gz QZVWOIHPHJNNAV-ZDUSSCGKSA-N 1 3 232.327 1.332 20 0 BDADHO Fc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000647789596 385619225 /nfs/dbraw/zinc/61/92/25/385619225.db2.gz HWZJSVGVSYOARE-NTZNESFSSA-N 1 3 249.333 1.698 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CCSC2)CC1 ZINC000307455225 385688418 /nfs/dbraw/zinc/68/84/18/385688418.db2.gz CGLLFSHMEZGDSO-LLVKDONJSA-N 1 3 212.362 1.343 20 0 BDADHO CCOC[C@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853408 385688814 /nfs/dbraw/zinc/68/88/14/385688814.db2.gz SINIOBBQZSYJCN-AAEUAGOBSA-N 1 3 228.380 1.909 20 0 BDADHO C(N[C@@H]1CCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854413 385693104 /nfs/dbraw/zinc/69/31/04/385693104.db2.gz ZJOAPICCBKXLBZ-RWMBFGLXSA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@@H]1CCC[C@H]1C1CC1)[C@@H]1CCCN1 ZINC000414854413 385693109 /nfs/dbraw/zinc/69/31/09/385693109.db2.gz ZJOAPICCBKXLBZ-RWMBFGLXSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ncn1 ZINC000647793775 385728852 /nfs/dbraw/zinc/72/88/52/385728852.db2.gz HXRKPLKLJQOFMJ-RWMBFGLXSA-N 1 3 246.358 1.263 20 0 BDADHO CO[C@H](C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309618120 385749202 /nfs/dbraw/zinc/74/92/02/385749202.db2.gz DKAAFKKSGSMBMQ-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@H](C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309618120 385749208 /nfs/dbraw/zinc/74/92/08/385749208.db2.gz DKAAFKKSGSMBMQ-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@]1(CN[C@@H]2CCCC2(C)C)CCC[NH2+]1 ZINC000414946543 385809901 /nfs/dbraw/zinc/80/99/01/385809901.db2.gz SPFSTGXZUKIWOZ-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCNC[C@H]2C)CCO1 ZINC000414950201 385816762 /nfs/dbraw/zinc/81/67/62/385816762.db2.gz FZXMFPLQYGYRMW-SYQHCUMBSA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+]CC1(CNC[C@@H]2NCCc3ccccc32)CC1 ZINC000414950205 385817136 /nfs/dbraw/zinc/81/71/36/385817136.db2.gz DTFGPTCPWKCWFB-AWEZNQCLSA-N 1 3 245.370 1.202 20 0 BDADHO C[C@@H](CN)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414869592 385836728 /nfs/dbraw/zinc/83/67/28/385836728.db2.gz ARVNRHJRABIEFV-ZDUSSCGKSA-N 1 3 247.386 1.840 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000366630316 385855491 /nfs/dbraw/zinc/85/54/91/385855491.db2.gz QPNUOTUPCKJBOI-OLZOCXBDSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000366630316 385855496 /nfs/dbraw/zinc/85/54/96/385855496.db2.gz QPNUOTUPCKJBOI-OLZOCXBDSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@@H](O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000366630316 385855500 /nfs/dbraw/zinc/85/55/00/385855500.db2.gz QPNUOTUPCKJBOI-OLZOCXBDSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)([NH3+])CCC(=O)NC[C@@H](N)c1ccccc1 ZINC000647767383 385883778 /nfs/dbraw/zinc/88/37/78/385883778.db2.gz HLLOFFFVIUDMNN-GFCCVEGCSA-N 1 3 249.358 1.320 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000414963465 385898230 /nfs/dbraw/zinc/89/82/30/385898230.db2.gz XNEXHEDZXKEIPV-CRWXNKLISA-N 1 3 240.391 1.920 20 0 BDADHO C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1CCCN1 ZINC000335033080 385921612 /nfs/dbraw/zinc/92/16/12/385921612.db2.gz OMBRXTSFGUODGO-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035023 385923794 /nfs/dbraw/zinc/92/37/94/385923794.db2.gz RUKDZSVCYSNGJO-KBPBESRZSA-N 1 3 232.327 1.686 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CC[C@@H](C)O1 ZINC000308989643 385926780 /nfs/dbraw/zinc/92/67/80/385926780.db2.gz VOBYBMCPNLDTED-WOPDTQHZSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262544652 385859334 /nfs/dbraw/zinc/85/93/34/385859334.db2.gz YVWQVYWEONEMIT-GVXVVHGQSA-N 1 3 249.358 1.176 20 0 BDADHO Nc1cccc(C[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647814786 385868805 /nfs/dbraw/zinc/86/88/05/385868805.db2.gz GANDEADYTQTZRZ-UHFFFAOYSA-N 1 3 245.370 1.985 20 0 BDADHO Nc1cccc(C[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647814786 385868808 /nfs/dbraw/zinc/86/88/08/385868808.db2.gz GANDEADYTQTZRZ-UHFFFAOYSA-N 1 3 245.370 1.985 20 0 BDADHO C[C@H](C(=O)NCC(C)(C)[NH3+])[C@H](N)c1ccccc1 ZINC000262651034 385870607 /nfs/dbraw/zinc/87/06/07/385870607.db2.gz VGXPHAQGIJWXOT-JQWIXIFHSA-N 1 3 249.358 1.176 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CC[C@@H](C)O1 ZINC000308989640 385928491 /nfs/dbraw/zinc/92/84/91/385928491.db2.gz VOBYBMCPNLDTED-GRYCIOLGSA-N 1 3 214.353 1.517 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000414878764 385937718 /nfs/dbraw/zinc/93/77/18/385937718.db2.gz HIOBJIUURFCCIW-UHFFFAOYSA-N 1 3 247.342 1.616 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)CN)C2 ZINC000414878665 385940125 /nfs/dbraw/zinc/94/01/25/385940125.db2.gz OOVVYPCNUJSKCJ-WCQYABFASA-N 1 3 248.370 1.737 20 0 BDADHO COc1ccncc1CN1CCC[C@H](CC[NH3+])C1 ZINC000311017039 385940344 /nfs/dbraw/zinc/94/03/44/385940344.db2.gz NFQDJGYETHHIGC-GFCCVEGCSA-N 1 3 249.358 1.651 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)CC1(C)C ZINC000338280227 385944567 /nfs/dbraw/zinc/94/45/67/385944567.db2.gz LRKUXFYRDMEIAZ-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(O)CCC1 ZINC000335051543 385948648 /nfs/dbraw/zinc/94/86/48/385948648.db2.gz QUTOIPRQYQWTPR-MNOVXSKESA-N 1 3 212.337 1.151 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)[C@H](C)[C@H]1C ZINC000338284557 385949427 /nfs/dbraw/zinc/94/94/27/385949427.db2.gz QYLHTCMTYPCQLH-ZIAGYGMSSA-N 1 3 241.423 1.743 20 0 BDADHO CCN(CC)CCC[N@H+](C)CC1(O)CCC1 ZINC000338305589 385951848 /nfs/dbraw/zinc/95/18/48/385951848.db2.gz SEPMMXNPONEHOW-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CC1(O)CCC1 ZINC000338305589 385951852 /nfs/dbraw/zinc/95/18/52/385951852.db2.gz SEPMMXNPONEHOW-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc2ncccc2c1 ZINC000414879483 385952366 /nfs/dbraw/zinc/95/23/66/385952366.db2.gz PNEVQIVITGXXIT-LLVKDONJSA-N 1 3 229.327 1.919 20 0 BDADHO CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053677 385953968 /nfs/dbraw/zinc/95/39/68/385953968.db2.gz ZPOKPGKYOGWIPM-OCCSQVGLSA-N 1 3 232.327 1.852 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251469829 385955405 /nfs/dbraw/zinc/95/54/05/385955405.db2.gz DMQJQCHNVTZWIZ-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251469829 385955409 /nfs/dbraw/zinc/95/54/09/385955409.db2.gz DMQJQCHNVTZWIZ-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000251469829 385955415 /nfs/dbraw/zinc/95/54/15/385955415.db2.gz DMQJQCHNVTZWIZ-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCCCCC1 ZINC000335058785 385960542 /nfs/dbraw/zinc/96/05/42/385960542.db2.gz KGITZXKPMRLODA-STQMWFEESA-N 1 3 239.407 1.578 20 0 BDADHO C[C@H]1CN(C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335058785 385960546 /nfs/dbraw/zinc/96/05/46/385960546.db2.gz KGITZXKPMRLODA-STQMWFEESA-N 1 3 239.407 1.578 20 0 BDADHO CC[NH+](CC)CCCN[C@]1(C)CCO[C@@H]1C ZINC000336751871 386013611 /nfs/dbraw/zinc/01/36/11/386013611.db2.gz DBAUHVQSBYTUNB-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000336751871 386013615 /nfs/dbraw/zinc/01/36/15/386013615.db2.gz DBAUHVQSBYTUNB-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)CN(C)C ZINC000291759731 386037025 /nfs/dbraw/zinc/03/70/25/386037025.db2.gz RGVHYOUQTZAQKT-NSHDSACASA-N 1 3 249.358 1.073 20 0 BDADHO CO[C@@H](CN(C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424216 386043214 /nfs/dbraw/zinc/04/32/14/386043214.db2.gz WADZOEZLBPWHNN-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424216 386043220 /nfs/dbraw/zinc/04/32/20/386043220.db2.gz WADZOEZLBPWHNN-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000414662494 386098891 /nfs/dbraw/zinc/09/88/91/386098891.db2.gz ACIPFRRKBQIQHK-NEPJUHHUSA-N 1 3 214.353 1.064 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](CO)C1 ZINC000414662494 386098893 /nfs/dbraw/zinc/09/88/93/386098893.db2.gz ACIPFRRKBQIQHK-NEPJUHHUSA-N 1 3 214.353 1.064 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CCc2c(cccc2OC)C1 ZINC000414992457 386156995 /nfs/dbraw/zinc/15/69/95/386156995.db2.gz RPEFJYAGZDGQEC-QWHCGFSZSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@H]1CCN(CCC[NH+]2CCCCC2)[C@@H]1CO ZINC000190425712 386179086 /nfs/dbraw/zinc/17/90/86/386179086.db2.gz NYNRJIIERZFAIW-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)C[C@H]([NH3+])CN(C)[C@H]1CCN(C2CC2)C1 ZINC000414692226 386183283 /nfs/dbraw/zinc/18/32/83/386183283.db2.gz KLDMQOQYBSFLEH-JSGCOSHPSA-N 1 3 239.407 1.528 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1CCc2ccccc2C1 ZINC000414988490 386133200 /nfs/dbraw/zinc/13/32/00/386133200.db2.gz LZDUIUONXQVHBS-KBPBESRZSA-N 1 3 218.344 1.871 20 0 BDADHO CC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000339011884 386208484 /nfs/dbraw/zinc/20/84/84/386208484.db2.gz WGFRVINCPZRPLK-AGIUHOORSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000339011884 386208491 /nfs/dbraw/zinc/20/84/91/386208491.db2.gz WGFRVINCPZRPLK-AGIUHOORSA-N 1 3 228.380 1.562 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414706025 386219433 /nfs/dbraw/zinc/21/94/33/386219433.db2.gz OFTDSZWOFVUFQU-YNEHKIRRSA-N 1 3 240.391 1.861 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414706025 386219436 /nfs/dbraw/zinc/21/94/36/386219436.db2.gz OFTDSZWOFVUFQU-YNEHKIRRSA-N 1 3 240.391 1.861 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916048 386226243 /nfs/dbraw/zinc/22/62/43/386226243.db2.gz NJNJLDKYGPFIOA-GDLCADMTSA-N 1 3 232.327 1.900 20 0 BDADHO CN(C)c1ccccc1CN1CCC[C@@H](C[NH3+])C1 ZINC000347135969 386239032 /nfs/dbraw/zinc/23/90/32/386239032.db2.gz SYQHYQGGNDUPBM-ZDUSSCGKSA-N 1 3 247.386 1.923 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1CC[NH2+]C(C)(C)C ZINC000414716707 386239258 /nfs/dbraw/zinc/23/92/58/386239258.db2.gz SSAUGICRCZSOQD-CYBMUJFWSA-N 1 3 241.423 1.647 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCOC1 ZINC000414899454 386252406 /nfs/dbraw/zinc/25/24/06/386252406.db2.gz BYOBSOQGWSOCBG-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO COc1ccccc1C[C@@H](C)NC[C@H]([NH3+])C1CC1 ZINC000414895758 386194057 /nfs/dbraw/zinc/19/40/57/386194057.db2.gz ZIHUCSRHJOKJFJ-RISCZKNCSA-N 1 3 248.370 1.953 20 0 BDADHO C[C@]1(c2ccccc2)CC[N@H+](CCCN)C1 ZINC000414731280 386287451 /nfs/dbraw/zinc/28/74/51/386287451.db2.gz AJTRZBFIOZPIDK-AWEZNQCLSA-N 1 3 218.344 1.999 20 0 BDADHO C[C@]1(c2ccccc2)CC[N@@H+](CCCN)C1 ZINC000414731280 386287455 /nfs/dbraw/zinc/28/74/55/386287455.db2.gz AJTRZBFIOZPIDK-AWEZNQCLSA-N 1 3 218.344 1.999 20 0 BDADHO CCO[C@@H]1C[C@H](N(C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647886669 386298967 /nfs/dbraw/zinc/29/89/67/386298967.db2.gz HDTOPBWGMPDFNO-FRRDWIJNSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414736998 386305696 /nfs/dbraw/zinc/30/56/96/386305696.db2.gz ICWVVJNBWRWYQD-MGPQQGTHSA-N 1 3 240.391 1.731 20 0 BDADHO CCCO[C@H]1CCCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647884534 386266114 /nfs/dbraw/zinc/26/61/14/386266114.db2.gz BTAHZJXPLOCNPN-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000336652981 386270029 /nfs/dbraw/zinc/27/00/29/386270029.db2.gz XKFGWSVHHYRIFF-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO CO[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000336652981 386270031 /nfs/dbraw/zinc/27/00/31/386270031.db2.gz XKFGWSVHHYRIFF-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO Cc1c[nH]nc1CNCC1(C)CC[NH2+]CC1 ZINC000414903796 386343103 /nfs/dbraw/zinc/34/31/03/386343103.db2.gz MFKLOBWCPYOLOT-UHFFFAOYSA-N 1 3 222.336 1.197 20 0 BDADHO [NH3+]CCCN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000414747050 386348727 /nfs/dbraw/zinc/34/87/27/386348727.db2.gz RNSAIYCBXLTFNX-CYBMUJFWSA-N 1 3 244.342 1.632 20 0 BDADHO CC[C@]1(CO)CCCN1C[C@@H]([NH3+])CC(C)C ZINC000414748370 386351519 /nfs/dbraw/zinc/35/15/19/386351519.db2.gz WMSZJUAFTFGPQP-QWHCGFSZSA-N 1 3 228.380 1.597 20 0 BDADHO C[C@H](CC1CC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000336731947 386352605 /nfs/dbraw/zinc/35/26/05/386352605.db2.gz FNGAQHVMUGRLPP-LLVKDONJSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)N(CC)CC ZINC000347362628 386366768 /nfs/dbraw/zinc/36/67/68/386366768.db2.gz CJMUAVZVOHSXMF-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336696841 386377268 /nfs/dbraw/zinc/37/72/68/386377268.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336696841 386377272 /nfs/dbraw/zinc/37/72/72/386377272.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336696841 386377279 /nfs/dbraw/zinc/37/72/79/386377279.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336696841 386377285 /nfs/dbraw/zinc/37/72/85/386377285.db2.gz HHAZULWDUPGPNW-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO COCC1(C)CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989909 386379470 /nfs/dbraw/zinc/37/94/70/386379470.db2.gz DMUYCXISUMPGTQ-GFCCVEGCSA-N 1 3 226.364 1.344 20 0 BDADHO c1ccc([C@H]2CNCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647992615 386447828 /nfs/dbraw/zinc/44/78/28/386447828.db2.gz RZWDVTNVNKMEIY-UKRRQHHQSA-N 1 3 245.370 1.242 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCNCC2)CCO1 ZINC000414907938 386388018 /nfs/dbraw/zinc/38/80/18/386388018.db2.gz CBSTZZAREYVBND-IHRRRGAJSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1ncccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008906 386394489 /nfs/dbraw/zinc/39/44/89/386394489.db2.gz NIGAAWRAHWBJTH-LSDHHAIUSA-N 1 3 245.370 1.868 20 0 BDADHO N[C@@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339412795 386413251 /nfs/dbraw/zinc/41/32/51/386413251.db2.gz ICODJJVOLFXWFG-CYBMUJFWSA-N 1 3 234.343 1.879 20 0 BDADHO N[C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339412795 386413257 /nfs/dbraw/zinc/41/32/57/386413257.db2.gz ICODJJVOLFXWFG-CYBMUJFWSA-N 1 3 234.343 1.879 20 0 BDADHO NC(=O)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414909730 386414946 /nfs/dbraw/zinc/41/49/46/386414946.db2.gz CJHGSWGZPZDECA-OLZOCXBDSA-N 1 3 247.342 1.145 20 0 BDADHO NC(=O)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414909736 386415246 /nfs/dbraw/zinc/41/52/46/386415246.db2.gz CJHGSWGZPZDECA-STQMWFEESA-N 1 3 247.342 1.145 20 0 BDADHO Cc1ccc(CCCN2CC[C@@](C)(C[NH3+])C2)cn1 ZINC000339408425 386416163 /nfs/dbraw/zinc/41/61/63/386416163.db2.gz BADIXGWVQKFGNW-HNNXBMFYSA-N 1 3 247.386 1.993 20 0 BDADHO Cc1ccc(CCC[N@@H+]2CC[C@@](C)(CN)C2)cn1 ZINC000339408425 386416168 /nfs/dbraw/zinc/41/61/68/386416168.db2.gz BADIXGWVQKFGNW-HNNXBMFYSA-N 1 3 247.386 1.993 20 0 BDADHO Cc1ccc(CCC[N@H+]2CC[C@@](C)(CN)C2)cn1 ZINC000339408425 386416176 /nfs/dbraw/zinc/41/61/76/386416176.db2.gz BADIXGWVQKFGNW-HNNXBMFYSA-N 1 3 247.386 1.993 20 0 BDADHO Fc1cc(F)cc(CCNC2CC[NH2+]CC2)c1 ZINC000060718032 386418458 /nfs/dbraw/zinc/41/84/58/386418458.db2.gz LUTDCOUCPOGYGS-UHFFFAOYSA-N 1 3 240.297 1.849 20 0 BDADHO Fc1cc(F)cc(CC[NH2+]C2CCNCC2)c1 ZINC000060718032 386418467 /nfs/dbraw/zinc/41/84/67/386418467.db2.gz LUTDCOUCPOGYGS-UHFFFAOYSA-N 1 3 240.297 1.849 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000347472616 386432175 /nfs/dbraw/zinc/43/21/75/386432175.db2.gz COGDBQHJPJCKGM-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]CC1=CCN(C)CC1 ZINC000347481801 386434985 /nfs/dbraw/zinc/43/49/85/386434985.db2.gz ACXGFGNFLYYICX-GFCCVEGCSA-N 1 3 234.347 1.123 20 0 BDADHO CC1(C)NCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000415042986 386529146 /nfs/dbraw/zinc/52/91/46/386529146.db2.gz RADUBOQFRVTKTN-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO COc1ccc2c(c1)C[C@H](N[C@H](C)[C@H](C)[NH3+])CC2 ZINC000415017053 386502403 /nfs/dbraw/zinc/50/24/03/386502403.db2.gz PGENOUVLSZHOIA-MISXGVKJSA-N 1 3 248.370 1.878 20 0 BDADHO CCN(CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CO ZINC000339634799 386503709 /nfs/dbraw/zinc/50/37/09/386503709.db2.gz GSSSLGQOLUIGIW-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CO ZINC000339634799 386503714 /nfs/dbraw/zinc/50/37/14/386503714.db2.gz GSSSLGQOLUIGIW-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)CNC ZINC000519609614 386506599 /nfs/dbraw/zinc/50/65/99/386506599.db2.gz WSQMMJLPVIXTRI-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC000415042778 386529843 /nfs/dbraw/zinc/52/98/43/386529843.db2.gz SURJOLVKBRUGFF-FTYKPCCVSA-N 1 3 208.349 1.763 20 0 BDADHO Cc1nc(F)ccc1C[NH2+][C@@H](C)CCN(C)C ZINC000278319071 386510315 /nfs/dbraw/zinc/51/03/15/386510315.db2.gz DTDPXDJRMCRAKO-JTQLQIEISA-N 1 3 239.338 1.959 20 0 BDADHO NC[C@@H]1C[N@H+](CC2CC2)CC12CCOCC2 ZINC000335448743 386517499 /nfs/dbraw/zinc/51/74/99/386517499.db2.gz QZRJAIDVSQMRKP-GFCCVEGCSA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@@H]1C[N@@H+](CC2CC2)CC12CCOCC2 ZINC000335448743 386517502 /nfs/dbraw/zinc/51/75/02/386517502.db2.gz QZRJAIDVSQMRKP-GFCCVEGCSA-N 1 3 224.348 1.084 20 0 BDADHO C[C@H](CCc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415032044 386518662 /nfs/dbraw/zinc/51/86/62/386518662.db2.gz HBWKDWYZBWEQLO-RZFFKMDDSA-N 1 3 230.355 1.815 20 0 BDADHO CC(C)C[C@@H](C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415030189 386520106 /nfs/dbraw/zinc/52/01/06/386520106.db2.gz CFOKNZQYXQERHU-CHWSQXEVSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H](CCCC(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034388 386521312 /nfs/dbraw/zinc/52/13/12/386521312.db2.gz JKMWEJJVIJIJTR-IMSYWVGJSA-N 1 3 236.281 1.915 20 0 BDADHO C[C@@H]1CCCC[C@H]1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035304 386521734 /nfs/dbraw/zinc/52/17/34/386521734.db2.gz KKJBGZMUMHPFBV-FHUSYTEZSA-N 1 3 208.349 1.620 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2(C)C)CCO1 ZINC000415037983 386523440 /nfs/dbraw/zinc/52/34/40/386523440.db2.gz LRDCIOADEIILRO-XQQFMLRXSA-N 1 3 240.391 1.922 20 0 BDADHO CCOCCC1(C[NH2+][C@@H]2CCNC2)CCCC1 ZINC000415082258 386598179 /nfs/dbraw/zinc/59/81/79/386598179.db2.gz CYFOJIFUUCWRBD-CYBMUJFWSA-N 1 3 240.391 1.925 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@@]1(C)CC[NH2+]C1 ZINC000415082382 386598496 /nfs/dbraw/zinc/59/84/96/386598496.db2.gz LQUIJKVEAKRJTD-OLZOCXBDSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415046922 386535364 /nfs/dbraw/zinc/53/53/64/386535364.db2.gz XYFLUWPEFCXDKX-XARVFOJUSA-N 1 3 208.349 1.619 20 0 BDADHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972767 386536150 /nfs/dbraw/zinc/53/61/50/386536150.db2.gz NAJOLPGTLSIFOY-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+]C[C@H](N)C(C)C)cc1 ZINC000414789962 386541979 /nfs/dbraw/zinc/54/19/79/386541979.db2.gz GCUMDESEXONOCB-AWEZNQCLSA-N 1 3 249.358 1.718 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H](C[NH3+])C1CCCC1 ZINC000415064563 386545049 /nfs/dbraw/zinc/54/50/49/386545049.db2.gz KZRIDLSGNUSPAC-DGCLKSJQSA-N 1 3 236.363 1.379 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]CCCNC2CC2)CCO1 ZINC000415066942 386549278 /nfs/dbraw/zinc/54/92/78/386549278.db2.gz JQTTUBCWHKSOQD-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO COc1cccc(CCC[NH2+]C2CCNCC2)c1 ZINC000415084399 386597160 /nfs/dbraw/zinc/59/71/60/386597160.db2.gz RDWGLXJHXPDIKQ-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO COc1cccc(CCCNC2CC[NH2+]CC2)c1 ZINC000415084399 386597169 /nfs/dbraw/zinc/59/71/69/386597169.db2.gz RDWGLXJHXPDIKQ-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCNC2CC2)CCO1 ZINC000415070801 386552743 /nfs/dbraw/zinc/55/27/43/386552743.db2.gz RFUZDIWDIZQTDR-KGLIPLIRSA-N 1 3 240.391 1.922 20 0 BDADHO NC[C@H]1c2ccccc2CCN1C[C@@H]1CC[NH2+]C1 ZINC000647995783 386558924 /nfs/dbraw/zinc/55/89/24/386558924.db2.gz GFSFBTOVBKURQZ-DOMZBBRYSA-N 1 3 245.370 1.154 20 0 BDADHO C[C@@H]1CCCC[C@H]1CN(C)C[C@@H](O)C[NH3+] ZINC000415072058 386564484 /nfs/dbraw/zinc/56/44/84/386564484.db2.gz VFXHSUYHKDJVSS-WOPDTQHZSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@]1(CNCC2(CCO)CCCC2)CC[NH2+]C1 ZINC000415075619 386569624 /nfs/dbraw/zinc/56/96/24/386569624.db2.gz BTXCEWHNYZUQFE-CYBMUJFWSA-N 1 3 240.391 1.518 20 0 BDADHO Cc1ccc(C[C@H](CO)[NH2+]C2CCNCC2)cc1 ZINC000415115999 386630539 /nfs/dbraw/zinc/63/05/39/386630539.db2.gz YUSKZBOTZSKJBA-OAHLLOKOSA-N 1 3 248.370 1.240 20 0 BDADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000415139989 386639810 /nfs/dbraw/zinc/63/98/10/386639810.db2.gz MLGRUQRRYVFGLM-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000415139989 386639814 /nfs/dbraw/zinc/63/98/14/386639814.db2.gz MLGRUQRRYVFGLM-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@H](CO)CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000415139989 386639819 /nfs/dbraw/zinc/63/98/19/386639819.db2.gz MLGRUQRRYVFGLM-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCO[C@H]2C)cc1 ZINC000414815577 386649108 /nfs/dbraw/zinc/64/91/08/386649108.db2.gz XQKJDJWAFYMYGN-MJVIPROJSA-N 1 3 234.343 1.973 20 0 BDADHO CC(C)(N)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414805393 386603796 /nfs/dbraw/zinc/60/37/96/386603796.db2.gz OUHFURRLFRVPBX-UHFFFAOYSA-N 1 3 244.342 1.699 20 0 BDADHO CC1(C)CC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000335489429 386607709 /nfs/dbraw/zinc/60/77/09/386607709.db2.gz WIFZFTLKGOHFGO-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO CC1(C)CC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000335489430 386608016 /nfs/dbraw/zinc/60/80/16/386608016.db2.gz WIFZFTLKGOHFGO-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO Cc1cn[nH]c1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414807857 386612393 /nfs/dbraw/zinc/61/23/93/386612393.db2.gz RPNJBTPMTTYTEF-WDEREUQCSA-N 1 3 222.336 1.325 20 0 BDADHO C[C@]1(CNCCc2ccccc2F)CC[NH2+]C1 ZINC000415093290 386612714 /nfs/dbraw/zinc/61/27/14/386612714.db2.gz VDISFXJZVUFXJM-CQSZACIVSA-N 1 3 236.334 1.957 20 0 BDADHO CC[C@H](COC)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826848 386686969 /nfs/dbraw/zinc/68/69/69/386686969.db2.gz WTRUQBCXLKRELV-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414826848 386686973 /nfs/dbraw/zinc/68/69/73/386686973.db2.gz WTRUQBCXLKRELV-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO Cn1ncc(Cl)c1CNCC[C@@H]1CC[NH2+]C1 ZINC000414825465 386691860 /nfs/dbraw/zinc/69/18/60/386691860.db2.gz CGKJYDOJQMSLGP-VIFPVBQESA-N 1 3 242.754 1.163 20 0 BDADHO N[C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828292 386696680 /nfs/dbraw/zinc/69/66/80/386696680.db2.gz IOPFKXQSKOJQIS-KBPBESRZSA-N 1 3 233.359 1.418 20 0 BDADHO C[C@@H](N)CC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414828057 386696932 /nfs/dbraw/zinc/69/69/32/386696932.db2.gz YVHZTWHDUFOMIK-NWDGAFQWSA-N 1 3 228.380 1.766 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@@H](CN)C1CCCCC1 ZINC000414830064 386706063 /nfs/dbraw/zinc/70/60/63/386706063.db2.gz ALHYVZQBWZUOBW-KGLIPLIRSA-N 1 3 241.423 1.857 20 0 BDADHO CCN1CCN(CCC[NH2+]CC2(F)CC2)CC1 ZINC000526984267 386715657 /nfs/dbraw/zinc/71/56/57/386715657.db2.gz XKHSAXUUYWYGAN-UHFFFAOYSA-N 1 3 243.370 1.106 20 0 BDADHO COCc1cccc(C[NH2+][C@H]2CNCC[C@H]2C)c1 ZINC000414928672 386720935 /nfs/dbraw/zinc/72/09/35/386720935.db2.gz NDWFDCLOMQBCQA-DOMZBBRYSA-N 1 3 248.370 1.921 20 0 BDADHO C[C@]1(CN2CCC[C@@H]2CCCO)CC[NH2+]C1 ZINC000340700388 386745648 /nfs/dbraw/zinc/74/56/48/386745648.db2.gz HOSGXFXVJZAZPG-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO CNC[C@H](C)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000414840857 386750899 /nfs/dbraw/zinc/75/08/99/386750899.db2.gz NSCDSGUFICOAEW-JTQLQIEISA-N 1 3 249.349 1.161 20 0 BDADHO C[NH2+]C[C@H](C)CNC1CCN(CC(F)F)CC1 ZINC000414840857 386750903 /nfs/dbraw/zinc/75/09/03/386750903.db2.gz NSCDSGUFICOAEW-JTQLQIEISA-N 1 3 249.349 1.161 20 0 BDADHO C[NH+](C)CCc1ccc(NC(=O)C2(N)CC2)cc1 ZINC000269247915 386767994 /nfs/dbraw/zinc/76/79/94/386767994.db2.gz NMXMFBNTHYXQDA-UHFFFAOYSA-N 1 3 247.342 1.221 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc2c[nH]nc21 ZINC000334143246 386743648 /nfs/dbraw/zinc/74/36/48/386743648.db2.gz RAPFSMSVVRMCSR-GHMZBOCLSA-N 1 3 244.342 1.732 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417809254 386787652 /nfs/dbraw/zinc/78/76/52/386787652.db2.gz GRNSCGATIXNZAH-UTUOFQBUSA-N 1 3 241.379 1.008 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417840794 386800820 /nfs/dbraw/zinc/80/08/20/386800820.db2.gz SKOUQSUKNFCPMH-DGCLKSJQSA-N 1 3 241.379 1.138 20 0 BDADHO CS[C@@H]1CC[C@H]1NCCC[NH+](C)C ZINC000425334378 386847069 /nfs/dbraw/zinc/84/70/69/386847069.db2.gz DQLBJWVSSMNRQQ-NXEZZACHSA-N 1 3 202.367 1.422 20 0 BDADHO C[C@@H](O)C[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341289178 386863815 /nfs/dbraw/zinc/86/38/15/386863815.db2.gz URNSNESAUAEKJL-VXGBXAGGSA-N 1 3 242.407 1.998 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331598213 386874720 /nfs/dbraw/zinc/87/47/20/386874720.db2.gz NXFMYDPCONJKEE-REWJHTLYSA-N 1 3 232.327 1.634 20 0 BDADHO C[C@H](CC(N)=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000358028179 386881299 /nfs/dbraw/zinc/88/12/99/386881299.db2.gz WUPVHVLVLXTDQC-SNVBAGLBSA-N 1 3 241.379 1.103 20 0 BDADHO COC[C@]1(CN[C@@H]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000414942246 386900879 /nfs/dbraw/zinc/90/08/79/386900879.db2.gz JVIHAXWYQFRPDX-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CNC1CCOCC1 ZINC000334864352 386919826 /nfs/dbraw/zinc/91/98/26/386919826.db2.gz OXXMLHCLOWSZEH-LBPRGKRZSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH+]1CCC(N[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000334854886 386907792 /nfs/dbraw/zinc/90/77/92/386907792.db2.gz VLGXREKIAALRMG-VXGBXAGGSA-N 1 3 220.316 1.819 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000358392787 386947133 /nfs/dbraw/zinc/94/71/33/386947133.db2.gz ZCLJHGQAJQIMSP-CHWSQXEVSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000358392787 386947140 /nfs/dbraw/zinc/94/71/40/386947140.db2.gz ZCLJHGQAJQIMSP-CHWSQXEVSA-N 1 3 248.374 1.400 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331912457 386925110 /nfs/dbraw/zinc/92/51/10/386925110.db2.gz GBDFRPZGBARYSJ-AVGNSLFASA-N 1 3 228.380 1.787 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000358392792 386947794 /nfs/dbraw/zinc/94/77/94/386947794.db2.gz ZCLJHGQAJQIMSP-OLZOCXBDSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000358392792 386947798 /nfs/dbraw/zinc/94/77/98/386947798.db2.gz ZCLJHGQAJQIMSP-OLZOCXBDSA-N 1 3 248.374 1.400 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000332414247 386975713 /nfs/dbraw/zinc/97/57/13/386975713.db2.gz AWSNZCAAXSNEME-NEPJUHHUSA-N 1 3 226.364 1.256 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000332414250 386977135 /nfs/dbraw/zinc/97/71/35/386977135.db2.gz AWSNZCAAXSNEME-VXGBXAGGSA-N 1 3 226.364 1.256 20 0 BDADHO CCCCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369357923 387041414 /nfs/dbraw/zinc/04/14/14/387041414.db2.gz IUQKOMLHCLYNRI-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369357923 387041417 /nfs/dbraw/zinc/04/14/17/387041417.db2.gz IUQKOMLHCLYNRI-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@H]([NH3+])CCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000070315024 387062832 /nfs/dbraw/zinc/06/28/32/387062832.db2.gz QROIDWRQEBUHEL-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000333281896 387024766 /nfs/dbraw/zinc/02/47/66/387024766.db2.gz MQHGKIRLNAYKIN-DRZSPHRISA-N 1 3 248.374 1.374 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000333281895 387025629 /nfs/dbraw/zinc/02/56/29/387025629.db2.gz MQHGKIRLNAYKIN-CYZMBNFOSA-N 1 3 248.374 1.374 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc2c1NCC2 ZINC000336225315 387066241 /nfs/dbraw/zinc/06/62/41/387066241.db2.gz ICOAEKLRCQPGON-VXGBXAGGSA-N 1 3 245.370 1.824 20 0 BDADHO C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000334994870 387086147 /nfs/dbraw/zinc/08/61/47/387086147.db2.gz VSXCLHJKXVVSFR-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H](NC1CC(C)(F)C1)[C@H]1CC[NH2+]C1 ZINC000335007525 387103111 /nfs/dbraw/zinc/10/31/11/387103111.db2.gz PUYGNHBEJQBGDV-MFQSTILNSA-N 1 3 200.301 1.465 20 0 BDADHO C[C@@H](NC1CC(C)(F)C1)[C@@H]1CC[NH2+]C1 ZINC000335007527 387103113 /nfs/dbraw/zinc/10/31/13/387103113.db2.gz PUYGNHBEJQBGDV-NKVNRFPTSA-N 1 3 200.301 1.465 20 0 BDADHO CN1CCCC(C)(C)[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335008952 387103201 /nfs/dbraw/zinc/10/32/01/387103201.db2.gz FKCJYXLMGBBTFM-NEPJUHHUSA-N 1 3 225.380 1.058 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1=CCOCC1 ZINC000335010651 387104845 /nfs/dbraw/zinc/10/48/45/387104845.db2.gz JBCMLIIDTSJAAZ-CHWSQXEVSA-N 1 3 224.348 1.583 20 0 BDADHO C(CN1CCCC1)C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000370296928 387106854 /nfs/dbraw/zinc/10/68/54/387106854.db2.gz IWWPOSPBONLBLP-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C(CN1CCCC1)C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000370296928 387106861 /nfs/dbraw/zinc/10/68/61/387106861.db2.gz IWWPOSPBONLBLP-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2ccc(O)cc21 ZINC000423307352 387143998 /nfs/dbraw/zinc/14/39/98/387143998.db2.gz MZIYNYPJMBIYIE-IINYFYTJSA-N 1 3 234.343 1.954 20 0 BDADHO CC[C@@H](NC[C@@H](C)C[NH3+])c1ccncc1 ZINC000423310220 387147238 /nfs/dbraw/zinc/14/72/38/387147238.db2.gz RKZSHTFNVQYBIM-CMPLNLGQSA-N 1 3 207.321 1.717 20 0 BDADHO CSCC1CCC([NH2+]CC2CNC2)CC1 ZINC000423314717 387153689 /nfs/dbraw/zinc/15/36/89/387153689.db2.gz HPDIEPNBQMRIJW-UHFFFAOYSA-N 1 3 228.405 1.717 20 0 BDADHO CC1(C)[C@H](NC[C@H]([NH3+])C2CC2)[C@H]2CCCO[C@@H]21 ZINC000423331057 387176347 /nfs/dbraw/zinc/17/63/47/387176347.db2.gz UOOCEGVEIDCCMD-XQHKEYJVSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1ccn(C)n1 ZINC000423337228 387186191 /nfs/dbraw/zinc/18/61/91/387186191.db2.gz UASFAICDIYKHEI-NSHDSACASA-N 1 3 236.363 1.460 20 0 BDADHO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN)cn1 ZINC000423302053 387134197 /nfs/dbraw/zinc/13/41/97/387134197.db2.gz GSPJTYGLZCFASY-WDEREUQCSA-N 1 3 237.347 1.206 20 0 BDADHO COc1ccc(C[C@@H](C)NC[C@@H](C)C[NH3+])cn1 ZINC000423302053 387134200 /nfs/dbraw/zinc/13/42/00/387134200.db2.gz GSPJTYGLZCFASY-WDEREUQCSA-N 1 3 237.347 1.206 20 0 BDADHO C1CC([C@@H]2CC[C@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000423302191 387134414 /nfs/dbraw/zinc/13/44/14/387134414.db2.gz JFIFRYGEGJYWTD-RWMBFGLXSA-N 1 3 208.349 1.907 20 0 BDADHO CCCCOCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228986792 387136178 /nfs/dbraw/zinc/13/61/78/387136178.db2.gz ZVCAIADUJZJGST-OLZOCXBDSA-N 1 3 228.380 1.720 20 0 BDADHO CC(C)(CC(N)=O)NCCC[NH+]1CCCCC1 ZINC000119494066 387138449 /nfs/dbraw/zinc/13/84/49/387138449.db2.gz LTQQVPJTEWCPJM-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000423304969 387140279 /nfs/dbraw/zinc/14/02/79/387140279.db2.gz ZUPYANAWIUOKKN-MNOVXSKESA-N 1 3 234.343 1.962 20 0 BDADHO C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N(C)C ZINC000423356122 387208760 /nfs/dbraw/zinc/20/87/60/387208760.db2.gz QATQACZAYJVLMC-MNOVXSKESA-N 1 3 249.358 1.386 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C12CCC2 ZINC000423359177 387211115 /nfs/dbraw/zinc/21/11/15/387211115.db2.gz CTYOPRYSXAKACQ-HBNTYKKESA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364142 387214794 /nfs/dbraw/zinc/21/47/94/387214794.db2.gz ATVSQSNRDRWKBH-XQHKEYJVSA-N 1 3 237.391 1.342 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423362885 387215129 /nfs/dbraw/zinc/21/51/29/387215129.db2.gz ILNAFWKYGVYRBV-HBNTYKKESA-N 1 3 214.353 1.515 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCO1 ZINC000423370421 387223360 /nfs/dbraw/zinc/22/33/60/387223360.db2.gz DEOYSYIDAHYXJM-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H]1CCCO1 ZINC000423370421 387223365 /nfs/dbraw/zinc/22/33/65/387223365.db2.gz DEOYSYIDAHYXJM-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H]1CCOC1 ZINC000423369517 387224003 /nfs/dbraw/zinc/22/40/03/387224003.db2.gz DZBKADVMYKGVKA-LPWJVIDDSA-N 1 3 226.364 1.661 20 0 BDADHO CC[NH2+]CCCN[C@@H](COC)CC(C)C ZINC000572147817 387243441 /nfs/dbraw/zinc/24/34/41/387243441.db2.gz NUUQMTMJWCCPTL-GFCCVEGCSA-N 1 3 216.369 1.637 20 0 BDADHO CSCC[N@H+](C)CCCN1CCCC1 ZINC000120415228 387245778 /nfs/dbraw/zinc/24/57/78/387245778.db2.gz DULYJAIKZXIVMW-UHFFFAOYSA-N 1 3 216.394 1.767 20 0 BDADHO CSCC[N@@H+](C)CCCN1CCCC1 ZINC000120415228 387245781 /nfs/dbraw/zinc/24/57/81/387245781.db2.gz DULYJAIKZXIVMW-UHFFFAOYSA-N 1 3 216.394 1.767 20 0 BDADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1CCOC1 ZINC000423344848 387195040 /nfs/dbraw/zinc/19/50/40/387195040.db2.gz YJEOUFFQSKKICF-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CNCCC2(F)F)CC[N@@H+]1C ZINC000423467223 387315186 /nfs/dbraw/zinc/31/51/86/387315186.db2.gz DIGOQQMMMBLXTR-OUAUKWLOSA-N 1 3 247.333 1.056 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CNCCC2(F)F)CC[N@H+]1C ZINC000423467223 387315190 /nfs/dbraw/zinc/31/51/90/387315190.db2.gz DIGOQQMMMBLXTR-OUAUKWLOSA-N 1 3 247.333 1.056 20 0 BDADHO CCC[C@H]([NH2+]C[C@H]1CNC[C@H]1O)C(C)(C)C ZINC000423428866 387254717 /nfs/dbraw/zinc/25/47/17/387254717.db2.gz OPGFZOQWFDQKBQ-UTUOFQBUSA-N 1 3 228.380 1.371 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1NC[C@H](C)[NH2+]C ZINC000423394602 387281135 /nfs/dbraw/zinc/28/11/35/387281135.db2.gz QJVGDUHPASCJFS-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000423433598 387284859 /nfs/dbraw/zinc/28/48/59/387284859.db2.gz PIIIFVIHZFXJQK-YHDIRRJESA-N 1 3 242.366 1.986 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643499211 387286758 /nfs/dbraw/zinc/28/67/58/387286758.db2.gz INPOATKGRRDMDO-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CCC[C@@H](OC)C1 ZINC000643499211 387286763 /nfs/dbraw/zinc/28/67/63/387286763.db2.gz INPOATKGRRDMDO-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccc(F)cn1 ZINC000423450022 387299615 /nfs/dbraw/zinc/29/96/15/387299615.db2.gz HBTSKXBBYCFFOL-NXEZZACHSA-N 1 3 225.311 1.999 20 0 BDADHO CCN(C)CCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000395701500 387308846 /nfs/dbraw/zinc/30/88/46/387308846.db2.gz BAWYCAPAKPEQEN-LLVKDONJSA-N 1 3 243.395 1.079 20 0 BDADHO CC[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423541182 387366533 /nfs/dbraw/zinc/36/65/33/387366533.db2.gz FIRTWWLCBPEPRT-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1noc(C)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000515405031 387377708 /nfs/dbraw/zinc/37/77/08/387377708.db2.gz QLMPEBIIBOSOQH-GXTWGEPZSA-N 1 3 249.358 1.769 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H](C)CC[NH+](C)C)OC ZINC000648659527 387379902 /nfs/dbraw/zinc/37/99/02/387379902.db2.gz SRCJTMMARXDSGP-AVGNSLFASA-N 1 3 230.396 1.977 20 0 BDADHO C[C@H](N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462912 387321878 /nfs/dbraw/zinc/32/18/78/387321878.db2.gz YFGKGOTXMRPPDA-YUTCNCBUSA-N 1 3 237.391 1.201 20 0 BDADHO [NH3+]C[C@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000336497887 387323448 /nfs/dbraw/zinc/32/34/48/387323448.db2.gz FURNHEFLBJTYJL-LLVKDONJSA-N 1 3 231.343 1.435 20 0 BDADHO CC(C)[C@H](Cn1cccn1)N[C@@H](C)[C@H](C)[NH3+] ZINC000423482987 387328502 /nfs/dbraw/zinc/32/85/02/387328502.db2.gz XQTKPCMEISEPDF-SRVKXCTJSA-N 1 3 224.352 1.233 20 0 BDADHO C[C@@H](CC(C)(C)C)NC[C@H]1C[NH2+]CCCO1 ZINC000423495738 387338670 /nfs/dbraw/zinc/33/86/70/387338670.db2.gz VEGBYMBAEREAIX-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@@H]1CC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000423496785 387339006 /nfs/dbraw/zinc/33/90/06/387339006.db2.gz XQJISWPSZPUENB-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccncc1F ZINC000423500180 387339987 /nfs/dbraw/zinc/33/99/87/387339987.db2.gz IHGZHRYHYHYMRX-HBNTYKKESA-N 1 3 237.322 1.999 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516158 387350469 /nfs/dbraw/zinc/35/04/69/387350469.db2.gz NMRARJOHXAKMSW-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@H]2CCSC2)C[NH2+]1 ZINC000306573030 387425993 /nfs/dbraw/zinc/42/59/93/387425993.db2.gz HXUZDOPKTPJPAP-GMTAPVOTSA-N 1 3 214.378 1.470 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC1CC1 ZINC000374423763 387453230 /nfs/dbraw/zinc/45/32/30/387453230.db2.gz XOHXCENTOHZEIR-RDBSUJKOSA-N 1 3 238.375 1.580 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000361399441 387453967 /nfs/dbraw/zinc/45/39/67/387453967.db2.gz FNXOYGHNRCRIGF-KGLIPLIRSA-N 1 3 241.423 1.648 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000361395725 387454550 /nfs/dbraw/zinc/45/45/50/387454550.db2.gz BDIWSPHLWKBZKK-UONOGXRCSA-N 1 3 241.423 1.791 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(CO)CCCCC1 ZINC000643466259 387386621 /nfs/dbraw/zinc/38/66/21/387386621.db2.gz NNSJSLLVFCYVKY-NEPJUHHUSA-N 1 3 226.364 1.399 20 0 BDADHO C[NH2+][C@@H](C)CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423626900 387389379 /nfs/dbraw/zinc/38/93/79/387389379.db2.gz HONLVGUDLPMVHM-JQWIXIFHSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C1CNC1 ZINC000643466608 387390046 /nfs/dbraw/zinc/39/00/46/387390046.db2.gz HGJVITDEWVOAGB-DGCLKSJQSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423675829 387396152 /nfs/dbraw/zinc/39/61/52/387396152.db2.gz ICXBICJTJYKKHD-NWDGAFQWSA-N 1 3 241.379 1.138 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCc2c[nH]nc2C1 ZINC000515634613 387404366 /nfs/dbraw/zinc/40/43/66/387404366.db2.gz UNWDAGQBPRRPSD-JHJVBQTASA-N 1 3 248.374 1.517 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@H]1COC(C)(C)C1 ZINC000396819764 387500972 /nfs/dbraw/zinc/50/09/72/387500972.db2.gz JGZOUDRWVDAXKR-WDEREUQCSA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000643475347 387509343 /nfs/dbraw/zinc/50/93/43/387509343.db2.gz JDMUGOPPIQHIOC-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](NCCc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000516449640 387510316 /nfs/dbraw/zinc/51/03/16/387510316.db2.gz BGZQWNPOIKHHKQ-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO C[C@H]([NH2+]CCc1ccc(F)c(F)c1)C1CNC1 ZINC000516449640 387510324 /nfs/dbraw/zinc/51/03/24/387510324.db2.gz BGZQWNPOIKHHKQ-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO CC(C)CCOCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000122322352 387514369 /nfs/dbraw/zinc/51/43/69/387514369.db2.gz XEZYKXFAZSAPEV-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471222 387480277 /nfs/dbraw/zinc/48/02/77/387480277.db2.gz FNGYGIOXNILQJO-BLYZHGLHSA-N 1 3 240.391 1.515 20 0 BDADHO C(C[NH2+]C1CC1)N[C@@H]1CC[C@@H]1C1CCC1 ZINC000643508015 387482439 /nfs/dbraw/zinc/48/24/39/387482439.db2.gz ZUERLTDYGWSPBI-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000374698477 387483551 /nfs/dbraw/zinc/48/35/51/387483551.db2.gz JLOYVLPZZVKZIE-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO CCC1(O)CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000643474267 387489353 /nfs/dbraw/zinc/48/93/53/387489353.db2.gz ZGWJMJVAGSEDDB-RJZJGCCBSA-N 1 3 240.391 1.787 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422716141 387628604 /nfs/dbraw/zinc/62/86/04/387628604.db2.gz UCDUCNDOZORFLL-MRVWCRGKSA-N 1 3 242.407 1.761 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422716141 387628606 /nfs/dbraw/zinc/62/86/06/387628606.db2.gz UCDUCNDOZORFLL-MRVWCRGKSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCCO1 ZINC000422701495 387615518 /nfs/dbraw/zinc/61/55/18/387615518.db2.gz IRQBZOUCVJNPTG-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCCO1 ZINC000422704499 387620106 /nfs/dbraw/zinc/62/01/06/387620106.db2.gz PVBHIDUWDFQWQR-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000422704499 387620108 /nfs/dbraw/zinc/62/01/08/387620108.db2.gz PVBHIDUWDFQWQR-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CCCCN(C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422711397 387625965 /nfs/dbraw/zinc/62/59/65/387625965.db2.gz NBAPKSXJPDGYKY-QWHCGFSZSA-N 1 3 227.396 1.448 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422718877 387630428 /nfs/dbraw/zinc/63/04/28/387630428.db2.gz XXYKPVOMYWLDFR-QJPTWQEYSA-N 1 3 214.353 1.253 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422717537 387630989 /nfs/dbraw/zinc/63/09/89/387630989.db2.gz WARYSERRGBZQTH-QNWHQSFQSA-N 1 3 228.380 1.501 20 0 BDADHO CN(C)c1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422720798 387632340 /nfs/dbraw/zinc/63/23/40/387632340.db2.gz TWNSGUKOISNBPX-ZFWWWQNUSA-N 1 3 247.386 1.970 20 0 BDADHO Cc1nccn1CCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422726412 387636167 /nfs/dbraw/zinc/63/61/67/387636167.db2.gz ZUMNBXDAOBPYAB-DGCLKSJQSA-N 1 3 236.363 1.312 20 0 BDADHO CC(C)CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422733502 387641439 /nfs/dbraw/zinc/64/14/39/387641439.db2.gz QWXZRDBHEMBSDI-HZSPNIEDSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)N(C)C ZINC000422738125 387646229 /nfs/dbraw/zinc/64/62/29/387646229.db2.gz JFKKLBQDBMCVRH-GRYCIOLGSA-N 1 3 213.369 1.186 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422744866 387649269 /nfs/dbraw/zinc/64/92/69/387649269.db2.gz KYLVGYQWAXSRGO-STQMWFEESA-N 1 3 227.396 1.578 20 0 BDADHO CC[C@@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746704 387649861 /nfs/dbraw/zinc/64/98/61/387649861.db2.gz WYOYHQNTXVMIEF-YUTCNCBUSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000422749594 387654111 /nfs/dbraw/zinc/65/41/11/387654111.db2.gz ZVCCDVBQHJNMHU-YUTCNCBUSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH2+]CCN1CCCC1)c1cnccc1N ZINC000422770617 387669802 /nfs/dbraw/zinc/66/98/02/387669802.db2.gz UXSMJPIPWVTKJK-NSHDSACASA-N 1 3 234.347 1.241 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOC1CCCC1 ZINC000422773648 387670899 /nfs/dbraw/zinc/67/08/99/387670899.db2.gz ZBTIWTSKAJDROL-MNOVXSKESA-N 1 3 214.353 1.661 20 0 BDADHO CC(C)Cn1ccnc1CN[C@@H](C)CCC[NH3+] ZINC000422777436 387676196 /nfs/dbraw/zinc/67/61/96/387676196.db2.gz FWJDHZWMCVIAGI-LBPRGKRZSA-N 1 3 238.379 1.756 20 0 BDADHO CC(C)COCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422779645 387676940 /nfs/dbraw/zinc/67/69/40/387676940.db2.gz GEUCOIXOETWGKI-PBWFPOADSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)N(C)C ZINC000126395488 387679771 /nfs/dbraw/zinc/67/97/71/387679771.db2.gz PPPCXGGHYXPDPF-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO COc1cc(CCN[C@@H](C)C2C[NH2+]C2)ccc1C ZINC000422785598 387683041 /nfs/dbraw/zinc/68/30/41/387683041.db2.gz POFIXAWRSLHQMO-LBPRGKRZSA-N 1 3 248.370 1.744 20 0 BDADHO COc1cc(CC[NH2+][C@@H](C)C2CNC2)ccc1C ZINC000422785598 387683046 /nfs/dbraw/zinc/68/30/46/387683046.db2.gz POFIXAWRSLHQMO-LBPRGKRZSA-N 1 3 248.370 1.744 20 0 BDADHO C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C1CC1 ZINC000422744731 387693639 /nfs/dbraw/zinc/69/36/39/387693639.db2.gz UCECSMOOQJSHIY-FKJOKYEKSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCOC1 ZINC000356902901 387743764 /nfs/dbraw/zinc/74/37/64/387743764.db2.gz RVJJALCLYXCDIZ-JSGCOSHPSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCOC1 ZINC000356902903 387744235 /nfs/dbraw/zinc/74/42/35/387744235.db2.gz RVJJALCLYXCDIZ-OCCSQVGLSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000422878479 387756278 /nfs/dbraw/zinc/75/62/78/387756278.db2.gz TWWNFQHZKKZRAG-GUBZILKMSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCS1 ZINC000422878479 387756283 /nfs/dbraw/zinc/75/62/83/387756283.db2.gz TWWNFQHZKKZRAG-GUBZILKMSA-N 1 3 202.367 1.597 20 0 BDADHO CCC[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128368727 387745242 /nfs/dbraw/zinc/74/52/42/387745242.db2.gz AHJXEIVUWGTEGC-AWEZNQCLSA-N 1 3 241.423 1.792 20 0 BDADHO CC(C)N1CC[C@H]([N@H+](C)CCn2ccnc2)C1 ZINC000452117143 387745828 /nfs/dbraw/zinc/74/58/28/387745828.db2.gz NYHNGSOSXCJUDW-ZDUSSCGKSA-N 1 3 236.363 1.298 20 0 BDADHO CC(C)N1CC[C@H]([N@@H+](C)CCn2ccnc2)C1 ZINC000452117143 387745832 /nfs/dbraw/zinc/74/58/32/387745832.db2.gz NYHNGSOSXCJUDW-ZDUSSCGKSA-N 1 3 236.363 1.298 20 0 BDADHO CC1CCN(CC[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000422868057 387749942 /nfs/dbraw/zinc/74/99/42/387749942.db2.gz UFTMHTHHMZWAJC-QWHCGFSZSA-N 1 3 225.380 1.188 20 0 BDADHO CC1CCN(CCN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422868057 387749947 /nfs/dbraw/zinc/74/99/47/387749947.db2.gz UFTMHTHHMZWAJC-QWHCGFSZSA-N 1 3 225.380 1.188 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000643526028 387755012 /nfs/dbraw/zinc/75/50/12/387755012.db2.gz NYDDPDBFCYJZRD-YVECIDJPSA-N 1 3 226.364 1.674 20 0 BDADHO CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1CCOCC1 ZINC000422802457 387701671 /nfs/dbraw/zinc/70/16/71/387701671.db2.gz BNHJDZZMPFVQPE-WZRBSPASSA-N 1 3 228.380 1.907 20 0 BDADHO COCc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422808558 387707696 /nfs/dbraw/zinc/70/76/96/387707696.db2.gz OKLZXFUNFLCZDX-KBPBESRZSA-N 1 3 234.343 1.802 20 0 BDADHO CO[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422810018 387708186 /nfs/dbraw/zinc/70/81/86/387708186.db2.gz QTNHNMJYESRHNX-JHJVBQTASA-N 1 3 228.380 1.907 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000422808582 387709152 /nfs/dbraw/zinc/70/91/52/387709152.db2.gz OMMHQTPKTWATJI-OLZOCXBDSA-N 1 3 225.380 1.332 20 0 BDADHO Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000422810953 387709673 /nfs/dbraw/zinc/70/96/73/387709673.db2.gz VAKHVAHCXXZXLX-BPLDGKMQSA-N 1 3 248.370 1.837 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422876215 387755265 /nfs/dbraw/zinc/75/52/65/387755265.db2.gz FHHXSCIQAKZTKP-QWHCGFSZSA-N 1 3 227.396 1.576 20 0 BDADHO C[C@@H](NCc1cccc(CN(C)C)c1)C1C[NH2+]C1 ZINC000422812828 387711909 /nfs/dbraw/zinc/71/19/09/387711909.db2.gz WZZNLFJBWUYGHR-GFCCVEGCSA-N 1 3 247.386 1.446 20 0 BDADHO CCN(CC)CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356739172 387712373 /nfs/dbraw/zinc/71/23/73/387712373.db2.gz JMCGQOIQMWFUKV-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CCN(CC)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356739172 387712375 /nfs/dbraw/zinc/71/23/75/387712375.db2.gz JMCGQOIQMWFUKV-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815970 387713345 /nfs/dbraw/zinc/71/33/45/387713345.db2.gz YVULIJCLCMQMOG-STQMWFEESA-N 1 3 240.391 1.646 20 0 BDADHO C[C@@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000127516350 387715330 /nfs/dbraw/zinc/71/53/30/387715330.db2.gz DDCOLLYEAURDQP-LBPRGKRZSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000127516350 387715337 /nfs/dbraw/zinc/71/53/37/387715337.db2.gz DDCOLLYEAURDQP-LBPRGKRZSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1cn2ccccc2n1 ZINC000422820445 387718449 /nfs/dbraw/zinc/71/84/49/387718449.db2.gz QPZBZAAGISSCET-NEPJUHHUSA-N 1 3 246.358 1.592 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422820445 387718457 /nfs/dbraw/zinc/71/84/57/387718457.db2.gz QPZBZAAGISSCET-NEPJUHHUSA-N 1 3 246.358 1.592 20 0 BDADHO COC1CCC(C[NH2+][C@H](C)[C@@H]2CCCN2)CC1 ZINC000422828867 387723327 /nfs/dbraw/zinc/72/33/27/387723327.db2.gz BNPGYIFEIFDZSP-RYSNWHEDSA-N 1 3 240.391 1.922 20 0 BDADHO c1cnn(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128007444 387732662 /nfs/dbraw/zinc/73/26/62/387732662.db2.gz GDALCKUHQHPTJD-CHWSQXEVSA-N 1 3 234.347 1.100 20 0 BDADHO c1cnn(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128007444 387732667 /nfs/dbraw/zinc/73/26/67/387732667.db2.gz GDALCKUHQHPTJD-CHWSQXEVSA-N 1 3 234.347 1.100 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CCC1 ZINC000422847149 387734637 /nfs/dbraw/zinc/73/46/37/387734637.db2.gz HLPHGTCHPUPFMG-YNEHKIRRSA-N 1 3 240.391 1.909 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1(C)C ZINC000422849384 387735233 /nfs/dbraw/zinc/73/52/33/387735233.db2.gz LTTRTUCAXRRJHO-FVCCEPFGSA-N 1 3 240.391 1.778 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCC1 ZINC000422890631 387763319 /nfs/dbraw/zinc/76/33/19/387763319.db2.gz SRPQNPRORKUEMP-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO COC[C@@H](NC[C@@H](C)[NH3+])C1CCCC1 ZINC000643527549 387765111 /nfs/dbraw/zinc/76/51/11/387765111.db2.gz OJCCCXTZFYGACB-MWLCHTKSSA-N 1 3 200.326 1.128 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422910281 387768720 /nfs/dbraw/zinc/76/87/20/387768720.db2.gz QDIWCILGBBICFQ-RWMBFGLXSA-N 1 3 227.396 1.576 20 0 BDADHO C[C@H](CCc1ccco1)N[C@H](C)C1C[NH2+]C1 ZINC000422961934 387812046 /nfs/dbraw/zinc/81/20/46/387812046.db2.gz DJYZAFODYIEFNC-GHMZBOCLSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@H](CCc1ccco1)[NH2+][C@H](C)C1CNC1 ZINC000422961934 387812051 /nfs/dbraw/zinc/81/20/51/387812051.db2.gz DJYZAFODYIEFNC-GHMZBOCLSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000643528924 387772470 /nfs/dbraw/zinc/77/24/70/387772470.db2.gz QVJVRDCYEFOLPG-YDHLFZDLSA-N 1 3 247.386 1.444 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000643528924 387772473 /nfs/dbraw/zinc/77/24/73/387772473.db2.gz QVJVRDCYEFOLPG-YDHLFZDLSA-N 1 3 247.386 1.444 20 0 BDADHO Cc1cccc(NCCN[C@H](C)C[C@H](C)[NH3+])n1 ZINC000422917479 387772931 /nfs/dbraw/zinc/77/29/31/387772931.db2.gz FASDECYBRFAHMX-CMPLNLGQSA-N 1 3 236.363 1.517 20 0 BDADHO Cc1cccc(NCCN[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000422917480 387773620 /nfs/dbraw/zinc/77/36/20/387773620.db2.gz FASDECYBRFAHMX-JQWIXIFHSA-N 1 3 236.363 1.517 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919079 387775866 /nfs/dbraw/zinc/77/58/66/387775866.db2.gz JCVKUIVSMMOBGV-AXFHLTTASA-N 1 3 241.379 1.101 20 0 BDADHO Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2N)n1 ZINC000422922804 387777819 /nfs/dbraw/zinc/77/78/19/387777819.db2.gz UPADZDJWWZBJSB-NWDGAFQWSA-N 1 3 234.347 1.271 20 0 BDADHO Cc1cccc(NCCN[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000422923078 387777841 /nfs/dbraw/zinc/77/78/41/387777841.db2.gz VCTQIACFEKLIQI-QWHCGFSZSA-N 1 3 248.374 1.519 20 0 BDADHO Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2CN)n1 ZINC000422923078 387777844 /nfs/dbraw/zinc/77/78/44/387777844.db2.gz VCTQIACFEKLIQI-QWHCGFSZSA-N 1 3 248.374 1.519 20 0 BDADHO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422928206 387780224 /nfs/dbraw/zinc/78/02/24/387780224.db2.gz JMUMVJKXJPPXIS-ZIAGYGMSSA-N 1 3 234.343 1.843 20 0 BDADHO C[C@@H](NC[C@H]1CCCN1C)[C@H]1CCCC[NH2+]1 ZINC000422901525 387787399 /nfs/dbraw/zinc/78/73/99/387787399.db2.gz LFZCXGQSDWFIDM-JHJVBQTASA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422981442 387792234 /nfs/dbraw/zinc/79/22/34/387792234.db2.gz SVCUTSXMPUNFJN-IJLUTSLNSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000422985362 387796630 /nfs/dbraw/zinc/79/66/30/387796630.db2.gz DKEQRJVCSDOLES-RVMXOQNASA-N 1 3 228.380 1.905 20 0 BDADHO C[C@H](COCC(F)(F)F)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422949173 387806732 /nfs/dbraw/zinc/80/67/32/387806732.db2.gz UHDZPAXZOYOTBY-XHNCKOQMSA-N 1 3 242.285 1.669 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002478 387807521 /nfs/dbraw/zinc/80/75/21/387807521.db2.gz JJGLJWVPFKGBMD-MNOVXSKESA-N 1 3 246.358 1.821 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002477 387807717 /nfs/dbraw/zinc/80/77/17/387807717.db2.gz JJGLJWVPFKGBMD-GHMZBOCLSA-N 1 3 246.358 1.821 20 0 BDADHO C[C@@H]([NH2+]C[C@]1(C)CCCS1)C1CNC1 ZINC000422882280 387757429 /nfs/dbraw/zinc/75/74/29/387757429.db2.gz ZVUDBWDYSBZFFD-KOLCDFICSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H](NC[C@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882280 387757440 /nfs/dbraw/zinc/75/74/40/387757440.db2.gz ZVUDBWDYSBZFFD-KOLCDFICSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000422881240 387757687 /nfs/dbraw/zinc/75/76/87/387757687.db2.gz YKGOECCRRMITJM-UTUOFQBUSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880919 387758220 /nfs/dbraw/zinc/75/82/20/387758220.db2.gz XUEMCGTWQYRBRU-WVWOOGAGSA-N 1 3 237.391 1.199 20 0 BDADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643527008 387759814 /nfs/dbraw/zinc/75/98/14/387759814.db2.gz JSCSWZLSKHABCR-UWVGGRQHSA-N 1 3 235.331 1.643 20 0 BDADHO CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423070489 387872904 /nfs/dbraw/zinc/87/29/04/387872904.db2.gz CVBYEHVOZLAHST-SDDRHHMPSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]([NH2+]CC1Cc2ccccc2C1)C1CNC1 ZINC000422975585 387823216 /nfs/dbraw/zinc/82/32/16/387823216.db2.gz BMZUJYUIENTQOJ-LLVKDONJSA-N 1 3 230.355 1.599 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000423004628 387825746 /nfs/dbraw/zinc/82/57/46/387825746.db2.gz KKGZGVCRNHRRBL-RFGFWPKPSA-N 1 3 240.391 1.515 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H](C[NH3+])CCCC ZINC000442711678 387827450 /nfs/dbraw/zinc/82/74/50/387827450.db2.gz FBYZIYDMBMHVRG-QWRGUYRKSA-N 1 3 229.368 1.138 20 0 BDADHO C[C@@H]([NH2+]CC1(C2CC2)CCC1)C1CNC1 ZINC000423006805 387827905 /nfs/dbraw/zinc/82/79/05/387827905.db2.gz WMEPWZIDZAZDLK-SNVBAGLBSA-N 1 3 208.349 1.764 20 0 BDADHO CCC[C@@H](CCO)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423008521 387830910 /nfs/dbraw/zinc/83/09/10/387830910.db2.gz SWYAAAPNFIXKBN-HZSPNIEDSA-N 1 3 242.407 1.905 20 0 BDADHO Cc1cncc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423018372 387840582 /nfs/dbraw/zinc/84/05/82/387840582.db2.gz YSPUZUUZZDGTPW-KBPBESRZSA-N 1 3 233.359 1.997 20 0 BDADHO CC[C@H](CSC)[NH2+][C@H](C)C[C@H](C)N ZINC000423018491 387840731 /nfs/dbraw/zinc/84/07/31/387840731.db2.gz RFIXSBRTTJGAIV-IVZWLZJFSA-N 1 3 204.383 1.843 20 0 BDADHO CC[C@H](CSC)N[C@H](C)C[C@H](C)[NH3+] ZINC000423018491 387840736 /nfs/dbraw/zinc/84/07/36/387840736.db2.gz RFIXSBRTTJGAIV-IVZWLZJFSA-N 1 3 204.383 1.843 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCSCC(F)(F)F ZINC000423016855 387841018 /nfs/dbraw/zinc/84/10/18/387841018.db2.gz NKFJQKVYIVKMSN-YUMQZZPRSA-N 1 3 242.310 1.751 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423019598 387841924 /nfs/dbraw/zinc/84/19/24/387841924.db2.gz WHPYLOQYZPCPDV-REWJHTLYSA-N 1 3 240.391 1.909 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H](O)CCc1ccccc1 ZINC000423026164 387844423 /nfs/dbraw/zinc/84/44/23/387844423.db2.gz AUSUGHWISPWTIG-RRFJBIMHSA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H](NC[C@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029549 387845474 /nfs/dbraw/zinc/84/54/74/387845474.db2.gz IIOMLOIGDFPJIE-MWLCHTKSSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCCCS1)C1CNC1 ZINC000423029549 387845479 /nfs/dbraw/zinc/84/54/79/387845479.db2.gz IIOMLOIGDFPJIE-MWLCHTKSSA-N 1 3 214.378 1.470 20 0 BDADHO CCC(CC)(CN[C@H](C)C[C@@H](C)[NH3+])C(=O)OC ZINC000423030316 387846074 /nfs/dbraw/zinc/84/60/74/387846074.db2.gz BETLKNBVXCPYOP-GHMZBOCLSA-N 1 3 244.379 1.681 20 0 BDADHO CCC(CC)(C[NH2+][C@H](C)C[C@@H](C)N)C(=O)OC ZINC000423030316 387846080 /nfs/dbraw/zinc/84/60/80/387846080.db2.gz BETLKNBVXCPYOP-GHMZBOCLSA-N 1 3 244.379 1.681 20 0 BDADHO CCC(CC)(CN[C@@H](C)C[C@H](C)[NH3+])C(=O)OC ZINC000423030318 387847385 /nfs/dbraw/zinc/84/73/85/387847385.db2.gz BETLKNBVXCPYOP-QWRGUYRKSA-N 1 3 244.379 1.681 20 0 BDADHO CCC(CC)(C[NH2+][C@@H](C)C[C@H](C)N)C(=O)OC ZINC000423030318 387847389 /nfs/dbraw/zinc/84/73/89/387847389.db2.gz BETLKNBVXCPYOP-QWRGUYRKSA-N 1 3 244.379 1.681 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC1Cc2ccccc2C1 ZINC000423031901 387849418 /nfs/dbraw/zinc/84/94/18/387849418.db2.gz DWNSPLILUPUUEE-GHMZBOCLSA-N 1 3 218.344 1.869 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423031901 387849421 /nfs/dbraw/zinc/84/94/21/387849421.db2.gz DWNSPLILUPUUEE-GHMZBOCLSA-N 1 3 218.344 1.869 20 0 BDADHO CC1=CCN(CC[NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000423039798 387852637 /nfs/dbraw/zinc/85/26/37/387852637.db2.gz RRKRPCLMBKIGJB-ZIAGYGMSSA-N 1 3 237.391 1.226 20 0 BDADHO CC1=CCN(CCN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039274 387852795 /nfs/dbraw/zinc/85/27/95/387852795.db2.gz QAKLMLZJFXKBAP-OLZOCXBDSA-N 1 3 225.380 1.354 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1N)C(F)(F)F ZINC000423053653 387862150 /nfs/dbraw/zinc/86/21/50/387862150.db2.gz SEBYPEUVPUARLR-PRJMDXOYSA-N 1 3 210.243 1.654 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056108 387862979 /nfs/dbraw/zinc/86/29/79/387862979.db2.gz XCQUYNODEVGDER-VGMNWLOBSA-N 1 3 224.270 1.772 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)C(F)(F)F ZINC000423053651 387863640 /nfs/dbraw/zinc/86/36/40/387863640.db2.gz SEBYPEUVPUARLR-CSMHCCOUSA-N 1 3 210.243 1.654 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@@H]1CCCCN1 ZINC000423061979 387867446 /nfs/dbraw/zinc/86/74/46/387867446.db2.gz LXVXXQXYICLIRO-UPJWGTAASA-N 1 3 248.374 1.318 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000423071793 387871212 /nfs/dbraw/zinc/87/12/12/387871212.db2.gz OVZLSVOYCDHDQP-XQHKEYJVSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964889 387813783 /nfs/dbraw/zinc/81/37/83/387813783.db2.gz MYWUHQHYJYPNBQ-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)c1ccco1 ZINC000422963080 387814438 /nfs/dbraw/zinc/81/44/38/387814438.db2.gz HJWWGNGABMDPEG-QJPTWQEYSA-N 1 3 237.347 1.352 20 0 BDADHO CCO[C@@]1(C)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000527976852 387815857 /nfs/dbraw/zinc/81/58/57/387815857.db2.gz GKJQJHZNFKUNHK-KGLIPLIRSA-N 1 3 238.375 1.770 20 0 BDADHO CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N(C)C ZINC000422968376 387819048 /nfs/dbraw/zinc/81/90/48/387819048.db2.gz WOYGITPDIKAEJA-IHRRRGAJSA-N 1 3 241.423 1.822 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000423103558 387889899 /nfs/dbraw/zinc/88/98/99/387889899.db2.gz LDBJLHLMRHCFTK-NWDGAFQWSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCC1(O)CCC1 ZINC000423103558 387889902 /nfs/dbraw/zinc/88/99/02/387889902.db2.gz LDBJLHLMRHCFTK-NWDGAFQWSA-N 1 3 226.364 1.269 20 0 BDADHO CCSCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423102888 387889982 /nfs/dbraw/zinc/88/99/82/387889982.db2.gz AGEMRSLMHZAMBN-QWRGUYRKSA-N 1 3 216.394 1.717 20 0 BDADHO C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105688 387890367 /nfs/dbraw/zinc/89/03/67/387890367.db2.gz ZHQFCQGEBQHTAS-RKQHYHRCSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@@H](NC[C@@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105378 387890891 /nfs/dbraw/zinc/89/08/91/387890891.db2.gz IIWJBYHCRASBLV-MQYQWHSLSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NC[C@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105377 387891908 /nfs/dbraw/zinc/89/19/08/387891908.db2.gz IIWJBYHCRASBLV-AAVRWANBSA-N 1 3 240.391 1.779 20 0 BDADHO OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000236503734 387892412 /nfs/dbraw/zinc/89/24/12/387892412.db2.gz XDBIIYXIJGNAKE-HZSPNIEDSA-N 1 3 240.391 1.659 20 0 BDADHO OCCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000236503734 387892415 /nfs/dbraw/zinc/89/24/15/387892415.db2.gz XDBIIYXIJGNAKE-HZSPNIEDSA-N 1 3 240.391 1.659 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@@H](O)Cc1ccccc1 ZINC000423112587 387895503 /nfs/dbraw/zinc/89/55/03/387895503.db2.gz SBJKNGHRDXAMTI-DYEKYZERSA-N 1 3 236.359 1.305 20 0 BDADHO Cc1cccc(CCCN[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000423112829 387895778 /nfs/dbraw/zinc/89/57/78/387895778.db2.gz YBPCIVIGPDDNGU-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO CCCN1CCC[C@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423112239 387896260 /nfs/dbraw/zinc/89/62/60/387896260.db2.gz RUHTXIUUBSQILQ-MELADBBJSA-N 1 3 239.407 1.448 20 0 BDADHO COCC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CCC1 ZINC000423113190 387896659 /nfs/dbraw/zinc/89/66/59/387896659.db2.gz KLSDIPFLCAPXIC-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)c1ccncc1 ZINC000643460307 387875579 /nfs/dbraw/zinc/87/55/79/387875579.db2.gz NTWAJUGFYFXDST-SRVKXCTJSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])c1ccncc1 ZINC000643460307 387875581 /nfs/dbraw/zinc/87/55/81/387875581.db2.gz NTWAJUGFYFXDST-SRVKXCTJSA-N 1 3 221.348 1.901 20 0 BDADHO CSC1(CN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423079809 387876564 /nfs/dbraw/zinc/87/65/64/387876564.db2.gz BAGIZXDIIQSSIX-BDAKNGLRSA-N 1 3 200.351 1.351 20 0 BDADHO CCSCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423117671 387899051 /nfs/dbraw/zinc/89/90/51/387899051.db2.gz WOOCVJSBNHTDEG-ZJUUUORDSA-N 1 3 204.383 1.845 20 0 BDADHO CSC1(C[NH2+][C@H](C)C[C@H](C)N)CCC1 ZINC000423087716 387881084 /nfs/dbraw/zinc/88/10/84/387881084.db2.gz OTOHXJGDQCNQEV-VHSXEESVSA-N 1 3 216.394 1.988 20 0 BDADHO CSC1(CN[C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423087716 387881085 /nfs/dbraw/zinc/88/10/85/387881085.db2.gz OTOHXJGDQCNQEV-VHSXEESVSA-N 1 3 216.394 1.988 20 0 BDADHO CSC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423091759 387882728 /nfs/dbraw/zinc/88/27/28/387882728.db2.gz YQOTTXMGHIWVKK-ZACCUICWSA-N 1 3 226.389 1.755 20 0 BDADHO COCC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423116277 387898620 /nfs/dbraw/zinc/89/86/20/387898620.db2.gz PDEMUCTZDQAMAN-NWDGAFQWSA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)SCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423099770 387886867 /nfs/dbraw/zinc/88/68/67/387886867.db2.gz AYRKPPJCROVKPF-SDDRHHMPSA-N 1 3 246.420 1.470 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424177449 387887447 /nfs/dbraw/zinc/88/74/47/387887447.db2.gz UKZHVFJVXLHWMO-OLZOCXBDSA-N 1 3 247.342 1.342 20 0 BDADHO OC1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000236467040 387887494 /nfs/dbraw/zinc/88/74/94/387887494.db2.gz ZXGMUWMPAYUMSL-UHFFFAOYSA-N 1 3 226.364 1.365 20 0 BDADHO CC(C)(C)CC[C@H](CO)[NH2+]C1CCNCC1 ZINC000423097012 387887517 /nfs/dbraw/zinc/88/75/17/387887517.db2.gz QJDJPRNZXGNSNA-GFCCVEGCSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(C)CC[C@H](CO)NC1CC[NH2+]CC1 ZINC000423097012 387887520 /nfs/dbraw/zinc/88/75/20/387887520.db2.gz QJDJPRNZXGNSNA-GFCCVEGCSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(C)CC[C@@H](CO)N[C@H]1CCC[NH2+]CC1 ZINC000423098255 387888048 /nfs/dbraw/zinc/88/80/48/387888048.db2.gz RVITVZQOCQDMEN-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)(C)CC[C@@H](CO)[NH2+][C@H]1CCCNCC1 ZINC000423098255 387888054 /nfs/dbraw/zinc/88/80/54/387888054.db2.gz RVITVZQOCQDMEN-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO COCC[C@@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000423117601 387899177 /nfs/dbraw/zinc/89/91/77/387899177.db2.gz WERJHRHAEDFTMO-ZYHUDNBSSA-N 1 3 228.380 1.635 20 0 BDADHO CCOCC(C)(C)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423128045 387905713 /nfs/dbraw/zinc/90/57/13/387905713.db2.gz UTPDVFHAWRUFJH-NEPJUHHUSA-N 1 3 228.380 1.637 20 0 BDADHO CC[N@H+](CCNC(=O)[C@@H](N)CC(C)C)C(C)C ZINC000236860975 387907523 /nfs/dbraw/zinc/90/75/23/387907523.db2.gz BGROWWYHYRNQAZ-LBPRGKRZSA-N 1 3 243.395 1.206 20 0 BDADHO CC[N@@H+](CCNC(=O)[C@@H](N)CC(C)C)C(C)C ZINC000236860975 387907527 /nfs/dbraw/zinc/90/75/27/387907527.db2.gz BGROWWYHYRNQAZ-LBPRGKRZSA-N 1 3 243.395 1.206 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000423163796 387917781 /nfs/dbraw/zinc/91/77/81/387917781.db2.gz NKCVDOAHHVYEAK-RVMXOQNASA-N 1 3 226.364 1.661 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NC[C@H]1CCCO1 ZINC000423152803 387932352 /nfs/dbraw/zinc/93/23/52/387932352.db2.gz FQVQUWJJORXZPC-WOPDTQHZSA-N 1 3 212.337 1.415 20 0 BDADHO CC/C=C\CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423156252 387933777 /nfs/dbraw/zinc/93/37/77/387933777.db2.gz KUYFSCJUBAJBSR-QKPYMPQASA-N 1 3 212.337 1.295 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423156825 387936557 /nfs/dbraw/zinc/93/65/57/387936557.db2.gz LQJWBEFMQNKYAY-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]1F ZINC000423144760 387921567 /nfs/dbraw/zinc/92/15/67/387921567.db2.gz HWFNWFRVCCOKRO-USZNOCQGSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@@H](CCCCO)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423149245 387927445 /nfs/dbraw/zinc/92/74/45/387927445.db2.gz AENNAGVZJURPFX-RWMBFGLXSA-N 1 3 228.380 1.658 20 0 BDADHO COCC1(C[NH2+][C@H](C)C[C@H](C)N)CCCC1 ZINC000423169893 387954753 /nfs/dbraw/zinc/95/47/53/387954753.db2.gz WVRXKOSMDHNEGB-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO Cc1ccc(F)c(CCN[C@@H](C)C2C[NH2+]C2)c1 ZINC000423158914 387939093 /nfs/dbraw/zinc/93/90/93/387939093.db2.gz XJUSWNFVRPGDLE-NSHDSACASA-N 1 3 236.334 1.874 20 0 BDADHO Cc1ccc(F)c(CC[NH2+][C@@H](C)C2CNC2)c1 ZINC000423158914 387939095 /nfs/dbraw/zinc/93/90/95/387939095.db2.gz XJUSWNFVRPGDLE-NSHDSACASA-N 1 3 236.334 1.874 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423159289 387939209 /nfs/dbraw/zinc/93/92/09/387939209.db2.gz FPUABAIRCIDWRU-ZUWCUPBKSA-N 1 3 238.375 1.410 20 0 BDADHO CCCN[C@@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424231286 387941283 /nfs/dbraw/zinc/94/12/83/387941283.db2.gz BUUQODOXKIMZIR-NSHDSACASA-N 1 3 249.358 1.780 20 0 BDADHO CCCC[C@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424234181 387942534 /nfs/dbraw/zinc/94/25/34/387942534.db2.gz GJTUYRZCYDFBFA-ZDUSSCGKSA-N 1 3 249.358 1.910 20 0 BDADHO CCCC[C@@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424234179 387942543 /nfs/dbraw/zinc/94/25/43/387942543.db2.gz GJTUYRZCYDFBFA-CYBMUJFWSA-N 1 3 249.358 1.910 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000424234200 387942913 /nfs/dbraw/zinc/94/29/13/387942913.db2.gz GLCZQNVXCZMVJU-LLVKDONJSA-N 1 3 247.342 1.392 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000423162382 387943306 /nfs/dbraw/zinc/94/33/06/387943306.db2.gz KXZTYCDMXMFVCE-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)O1 ZINC000423162382 387943311 /nfs/dbraw/zinc/94/33/11/387943311.db2.gz KXZTYCDMXMFVCE-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]([C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423163946 387946888 /nfs/dbraw/zinc/94/68/88/387946888.db2.gz RVZPCVWZTHHEBS-WDCWCFNPSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423175234 387961327 /nfs/dbraw/zinc/96/13/27/387961327.db2.gz DMIXETXWUMXWIN-RFQIPJPRSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H](CCc1ccccc1F)NCC[NH3+] ZINC000423176250 387962181 /nfs/dbraw/zinc/96/21/81/387962181.db2.gz FWAPFASCYFJBPO-JTQLQIEISA-N 1 3 210.296 1.695 20 0 BDADHO COCCC[C@H](C)N[C@H]1CCC[NH2+]C1 ZINC000423178347 387964405 /nfs/dbraw/zinc/96/44/05/387964405.db2.gz BVJVMTDATMIFSE-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO CCOC[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245599178 387964758 /nfs/dbraw/zinc/96/47/58/387964758.db2.gz IHPXWKKVGKMWRH-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCOC[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245599178 387964762 /nfs/dbraw/zinc/96/47/62/387964762.db2.gz IHPXWKKVGKMWRH-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000423179388 387966001 /nfs/dbraw/zinc/96/60/01/387966001.db2.gz CZUSIIDHORQBSF-MNOVXSKESA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000423179388 387966005 /nfs/dbraw/zinc/96/60/05/387966005.db2.gz CZUSIIDHORQBSF-MNOVXSKESA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)[C@@H](C)O1 ZINC000423182293 387967305 /nfs/dbraw/zinc/96/73/05/387967305.db2.gz LKQZNOZQHHJJKU-DHGKCCLASA-N 1 3 240.391 1.907 20 0 BDADHO Cc1nccn1-c1ccc([C@H](C)[NH2+]CCN)cc1 ZINC000423183064 387967778 /nfs/dbraw/zinc/96/77/78/387967778.db2.gz KYVKGAYPRRYIOL-NSHDSACASA-N 1 3 244.342 1.790 20 0 BDADHO C[C@H]([NH2+]CCCN)C1CCSCC1 ZINC000423186050 387971615 /nfs/dbraw/zinc/97/16/15/387971615.db2.gz JWCQZGXFAKRVOP-VIFPVBQESA-N 1 3 202.367 1.457 20 0 BDADHO NCCC[NH2+]C1CCc2ccccc2CC1 ZINC000423196055 387981916 /nfs/dbraw/zinc/98/19/16/387981916.db2.gz UOOMZNZYDWUIHI-UHFFFAOYSA-N 1 3 218.344 1.872 20 0 BDADHO NCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423197445 387981720 /nfs/dbraw/zinc/98/17/20/387981720.db2.gz ZMAJTZPXRKGWPD-JHJVBQTASA-N 1 3 226.364 1.520 20 0 BDADHO CC[C@@H](NCCC[NH2+]C)C1(C(=O)OC)CCC1 ZINC000423201650 387987421 /nfs/dbraw/zinc/98/74/21/387987421.db2.gz PJSJULSSQVXPNU-LLVKDONJSA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@@H]([NH2+]CCCNC)C1(C(=O)OC)CCC1 ZINC000423201650 387987424 /nfs/dbraw/zinc/98/74/24/387987424.db2.gz PJSJULSSQVXPNU-LLVKDONJSA-N 1 3 242.363 1.307 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000423207733 387993142 /nfs/dbraw/zinc/99/31/42/387993142.db2.gz DJSMQJHWLUEVMV-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[NH2+]CCCN[C@@H](Cn1cccn1)C(C)C ZINC000423202272 387987083 /nfs/dbraw/zinc/98/70/83/387987083.db2.gz QNVBAJVLNLVNNN-LBPRGKRZSA-N 1 3 224.352 1.107 20 0 BDADHO CNCCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423202272 387987089 /nfs/dbraw/zinc/98/70/89/387987089.db2.gz QNVBAJVLNLVNNN-LBPRGKRZSA-N 1 3 224.352 1.107 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214327 387997547 /nfs/dbraw/zinc/99/75/47/387997547.db2.gz OQDYPNZMAIBJBW-FRRDWIJNSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)CN1C1CC1 ZINC000424371335 387997577 /nfs/dbraw/zinc/99/75/77/387997577.db2.gz FUPJNEBRRXIZKG-OIMNJJJWSA-N 1 3 237.391 1.471 20 0 BDADHO C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371335 387997581 /nfs/dbraw/zinc/99/75/81/387997581.db2.gz FUPJNEBRRXIZKG-OIMNJJJWSA-N 1 3 237.391 1.471 20 0 BDADHO C[C@@H](Cn1cccn1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424372564 387997674 /nfs/dbraw/zinc/99/76/74/387997674.db2.gz WTDIYZOWKFLWFI-QJPTWQEYSA-N 1 3 222.336 1.131 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C[C@H]1CN ZINC000420411542 387999642 /nfs/dbraw/zinc/99/96/42/387999642.db2.gz RVFANXZISXYXND-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C[C@H]1CN ZINC000420411542 387999644 /nfs/dbraw/zinc/99/96/44/387999644.db2.gz RVFANXZISXYXND-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000420411542 387999650 /nfs/dbraw/zinc/99/96/50/387999650.db2.gz RVFANXZISXYXND-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CCCC1 ZINC000423217094 388000097 /nfs/dbraw/zinc/00/00/97/388000097.db2.gz SVMSTYPRUDFORY-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@@H](NC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423217094 388000102 /nfs/dbraw/zinc/00/01/02/388000102.db2.gz SVMSTYPRUDFORY-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCCNC1)C1CCCC1 ZINC000423216986 388000176 /nfs/dbraw/zinc/00/01/76/388000176.db2.gz SVMSTYPRUDFORY-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@@H](NC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423216986 388000179 /nfs/dbraw/zinc/00/01/79/388000179.db2.gz SVMSTYPRUDFORY-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000400554436 388025257 /nfs/dbraw/zinc/02/52/57/388025257.db2.gz PHWRKRNXRNUGQX-XJFOESAGSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000400554436 388025259 /nfs/dbraw/zinc/02/52/59/388025259.db2.gz PHWRKRNXRNUGQX-XJFOESAGSA-N 1 3 240.391 1.718 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N ZINC000423228187 388013054 /nfs/dbraw/zinc/01/30/54/388013054.db2.gz YPTCAPBOIHTISO-SRVKXCTJSA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@@H](NCC[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423228399 388013094 /nfs/dbraw/zinc/01/30/94/388013094.db2.gz ZLROMBISVFFDIM-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO CC[C@@H]([NH2+]CC[C@H](C)N)C1(C(=O)OC)CCC1 ZINC000423228399 388013097 /nfs/dbraw/zinc/01/30/97/388013097.db2.gz ZLROMBISVFFDIM-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423228405 388014185 /nfs/dbraw/zinc/01/41/85/388014185.db2.gz ZLZHICYQMQXHPZ-REWJHTLYSA-N 1 3 240.391 1.909 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423231192 388016719 /nfs/dbraw/zinc/01/67/19/388016719.db2.gz GCBXQTPZLFXCPW-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](N)c1ccccc1 ZINC000423232319 388016734 /nfs/dbraw/zinc/01/67/34/388016734.db2.gz BWNKOHWGOWEWIM-VHDGCEQUSA-N 1 3 247.386 1.616 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)Cc1cnccn1)CN(C)C ZINC000453240152 388022518 /nfs/dbraw/zinc/02/25/18/388022518.db2.gz OGDJNWKPCUEHSQ-NEPJUHHUSA-N 1 3 236.363 1.195 20 0 BDADHO C[C@H](CN[C@@H](C)Cc1cnccn1)C[NH+](C)C ZINC000453240152 388022521 /nfs/dbraw/zinc/02/25/21/388022521.db2.gz OGDJNWKPCUEHSQ-NEPJUHHUSA-N 1 3 236.363 1.195 20 0 BDADHO CC[NH2+]CCN[C@@H](CC)[C@H]1CCOC1 ZINC000423252503 388033024 /nfs/dbraw/zinc/03/30/24/388033024.db2.gz XSAWHABLTXVZPG-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO Cc1ccc(O)c(CNC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000108428076 388033665 /nfs/dbraw/zinc/03/36/65/388033665.db2.gz QHKBABHUGRCVOC-GFCCVEGCSA-N 1 3 249.358 1.527 20 0 BDADHO Cc1ccc(O)c(CNC[C@H]2CCC[N@H+](C)C2)n1 ZINC000108428076 388033668 /nfs/dbraw/zinc/03/36/68/388033668.db2.gz QHKBABHUGRCVOC-GFCCVEGCSA-N 1 3 249.358 1.527 20 0 BDADHO CCOC(=O)C1(C)CCC(NCC[NH2+]C)CC1 ZINC000423252219 388034410 /nfs/dbraw/zinc/03/44/10/388034410.db2.gz XNWZJMXXUVRITA-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CNC ZINC000423255528 388037154 /nfs/dbraw/zinc/03/71/54/388037154.db2.gz AHNYZVDOVKNEPG-RWMBFGLXSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159981381 388042614 /nfs/dbraw/zinc/04/26/14/388042614.db2.gz KQFXAKGHKYXZFF-YNEHKIRRSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159981381 388042617 /nfs/dbraw/zinc/04/26/17/388042617.db2.gz KQFXAKGHKYXZFF-YNEHKIRRSA-N 1 3 226.364 1.220 20 0 BDADHO c1c[nH]c(CNCC2CC[NH+](C3CC3)CC2)n1 ZINC000446887087 388043067 /nfs/dbraw/zinc/04/30/67/388043067.db2.gz NWAUCXJCRKTGLO-UHFFFAOYSA-N 1 3 234.347 1.374 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CNC)[C@H]1CCOC1 ZINC000423266096 388043780 /nfs/dbraw/zinc/04/37/80/388043780.db2.gz CTBUPHSHZMZNSS-SRVKXCTJSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274939 388054632 /nfs/dbraw/zinc/05/46/32/388054632.db2.gz MPHPOEYBYXCOPW-JHJVBQTASA-N 1 3 248.374 1.868 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423278577 388060015 /nfs/dbraw/zinc/06/00/15/388060015.db2.gz QWQIYTSIQSUZRF-RAIGVLPGSA-N 1 3 225.380 1.042 20 0 BDADHO CC(C)[C@@H]([NH3+])CN[C@H](Cn1cccn1)C(C)C ZINC000423285926 388069201 /nfs/dbraw/zinc/06/92/01/388069201.db2.gz ZTXNTHMRRFCVMN-QWHCGFSZSA-N 1 3 238.379 1.481 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000084217631 388075693 /nfs/dbraw/zinc/07/56/93/388075693.db2.gz MJWVYQZVSVNYLY-KGLIPLIRSA-N 1 3 218.344 1.946 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423294608 388077282 /nfs/dbraw/zinc/07/72/82/388077282.db2.gz CIZYJGMKTUSDFA-XQQFMLRXSA-N 1 3 239.407 1.719 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423297089 388078334 /nfs/dbraw/zinc/07/83/34/388078334.db2.gz IRGLACPRLHCFAN-DDHJBXDOSA-N 1 3 214.353 1.659 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000160674385 388083278 /nfs/dbraw/zinc/08/32/78/388083278.db2.gz WSBVNXVEAYQISR-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CC[NH+](CC)CCCCNC(=O)[C@@H](N)C(C)C ZINC000083372044 388048838 /nfs/dbraw/zinc/04/88/38/388048838.db2.gz ULFHXJBJFHPMPW-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO C[NH+]1CCC2(CC1)CN(CCC1CC1)CCO2 ZINC000646104700 388142960 /nfs/dbraw/zinc/14/29/60/388142960.db2.gz UGZWQOKHTKTRME-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000449569334 388234937 /nfs/dbraw/zinc/23/49/37/388234937.db2.gz BEBNIGLPCXUSRY-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C)CCC[NH3+])N(CC)CC ZINC000449572517 388235550 /nfs/dbraw/zinc/23/55/50/388235550.db2.gz NGXYGVADBFAUEK-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO Cc1n[nH]c(C)c1CNCc1ccc(C[NH3+])cc1 ZINC000516570114 388349402 /nfs/dbraw/zinc/34/94/02/388349402.db2.gz MOBRNDXUEQLZCY-UHFFFAOYSA-N 1 3 244.342 1.775 20 0 BDADHO CCSCCN1CC[C@@](C)(C[NH3+])C1 ZINC000233827510 388349605 /nfs/dbraw/zinc/34/96/05/388349605.db2.gz XNRHNGDQYYTIDH-JTQLQIEISA-N 1 3 202.367 1.410 20 0 BDADHO CCSCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000233827510 388349609 /nfs/dbraw/zinc/34/96/09/388349609.db2.gz XNRHNGDQYYTIDH-JTQLQIEISA-N 1 3 202.367 1.410 20 0 BDADHO CCSCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000233827510 388349611 /nfs/dbraw/zinc/34/96/11/388349611.db2.gz XNRHNGDQYYTIDH-JTQLQIEISA-N 1 3 202.367 1.410 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000300386553 388364434 /nfs/dbraw/zinc/36/44/34/388364434.db2.gz RPHXZEYYFCFFSL-RHYQMDGZSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000300386553 388364438 /nfs/dbraw/zinc/36/44/38/388364438.db2.gz RPHXZEYYFCFFSL-RHYQMDGZSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300386553 388364442 /nfs/dbraw/zinc/36/44/42/388364442.db2.gz RPHXZEYYFCFFSL-RHYQMDGZSA-N 1 3 212.337 1.081 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000163541815 388364460 /nfs/dbraw/zinc/36/44/60/388364460.db2.gz RCDDHLHRFCIKDH-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000163541815 388364462 /nfs/dbraw/zinc/36/44/62/388364462.db2.gz RCDDHLHRFCIKDH-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499951 388367650 /nfs/dbraw/zinc/36/76/50/388367650.db2.gz KUICJFAACWYWHP-QNWHQSFQSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500953 388367950 /nfs/dbraw/zinc/36/79/50/388367950.db2.gz LLWSBTZKBUWYNG-SDDRHHMPSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H](C[NH2+]Cc1ccn(C)c1)CN(C)C ZINC000291628480 388376913 /nfs/dbraw/zinc/37/69/13/388376913.db2.gz AGKODVIXIORDQE-NSHDSACASA-N 1 3 209.337 1.312 20 0 BDADHO Cc1cnccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000295656742 388413519 /nfs/dbraw/zinc/41/35/19/388413519.db2.gz IAOLVJPAOAMDDH-LLVKDONJSA-N 1 3 221.348 1.677 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316687324 388420546 /nfs/dbraw/zinc/42/05/46/388420546.db2.gz ZTKDAIREZQLNGW-YNEHKIRRSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000339075577 388479518 /nfs/dbraw/zinc/47/95/18/388479518.db2.gz PKHIRWCOAYHIIC-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOC1 ZINC000339075577 388479522 /nfs/dbraw/zinc/47/95/22/388479522.db2.gz PKHIRWCOAYHIIC-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCOC1 ZINC000339075577 388479525 /nfs/dbraw/zinc/47/95/25/388479525.db2.gz PKHIRWCOAYHIIC-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1C[C@H]1C ZINC000322335334 388432306 /nfs/dbraw/zinc/43/23/06/388432306.db2.gz QCAQVOJFKNFEQM-MDZLAQPJSA-N 1 3 208.349 1.882 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522302 388432713 /nfs/dbraw/zinc/43/27/13/388432713.db2.gz QGSOOUUZVCNUDB-NAKRPEOUSA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000393522302 388432715 /nfs/dbraw/zinc/43/27/15/388432715.db2.gz QGSOOUUZVCNUDB-NAKRPEOUSA-N 1 3 232.318 1.960 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000517177113 388541187 /nfs/dbraw/zinc/54/11/87/388541187.db2.gz WDDIIHURZIEMNI-KGYLQXTDSA-N 1 3 236.363 1.211 20 0 BDADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000517177113 388541191 /nfs/dbraw/zinc/54/11/91/388541191.db2.gz WDDIIHURZIEMNI-KGYLQXTDSA-N 1 3 236.363 1.211 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000516938322 388526297 /nfs/dbraw/zinc/52/62/97/388526297.db2.gz NQBWNGHYPMQRQI-GFCCVEGCSA-N 1 3 238.375 1.365 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCCOC1 ZINC000356836012 388551401 /nfs/dbraw/zinc/55/14/01/388551401.db2.gz CUSSNQJIFBRIOY-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCN2CC=CCC2)CCN1C ZINC000359037482 388556292 /nfs/dbraw/zinc/55/62/92/388556292.db2.gz QWEHEYYZKXVQCU-ZIAGYGMSSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@@H]1C[C@H](NCCN2CC=CCC2)CC[N@@H+]1C ZINC000359037482 388556294 /nfs/dbraw/zinc/55/62/94/388556294.db2.gz QWEHEYYZKXVQCU-ZIAGYGMSSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@@H]1C[C@H](NCCN2CC=CCC2)CC[N@H+]1C ZINC000359037482 388556297 /nfs/dbraw/zinc/55/62/97/388556297.db2.gz QWEHEYYZKXVQCU-ZIAGYGMSSA-N 1 3 237.391 1.321 20 0 BDADHO Cc1cnccc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000385061707 388573846 /nfs/dbraw/zinc/57/38/46/388573846.db2.gz UPBDZKFUKABZEG-NWDGAFQWSA-N 1 3 219.332 1.559 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248557737 388682817 /nfs/dbraw/zinc/68/28/17/388682817.db2.gz LQGUNSNPUSZUJB-IGQOVBAYSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248557737 388682820 /nfs/dbraw/zinc/68/28/20/388682820.db2.gz LQGUNSNPUSZUJB-IGQOVBAYSA-N 1 3 238.375 1.506 20 0 BDADHO COCCC1CCN([C@H](C)C2C[NH2+]C2)CC1 ZINC000530212536 388627387 /nfs/dbraw/zinc/62/73/87/388627387.db2.gz QSJVWBJYPHNPRE-LLVKDONJSA-N 1 3 226.364 1.343 20 0 BDADHO COCCC1CC[NH+]([C@H](C)C2CNC2)CC1 ZINC000530212536 388627388 /nfs/dbraw/zinc/62/73/88/388627388.db2.gz QSJVWBJYPHNPRE-LLVKDONJSA-N 1 3 226.364 1.343 20 0 BDADHO COCCC1CCN([C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000530212336 388628052 /nfs/dbraw/zinc/62/80/52/388628052.db2.gz QIRWIUCNFLERAK-VXGBXAGGSA-N 1 3 228.380 1.861 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCC[C@H]1CN)OCC ZINC000530212546 388628070 /nfs/dbraw/zinc/62/80/70/388628070.db2.gz QSMKOLKEJVMRAW-XQQFMLRXSA-N 1 3 228.380 1.909 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000189307500 388630140 /nfs/dbraw/zinc/63/01/40/388630140.db2.gz MCBKVEJMAGFNAQ-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccncc1 ZINC000530218690 388631774 /nfs/dbraw/zinc/63/17/74/388631774.db2.gz GRSSDLBHNFOFBG-WDEREUQCSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)c1ccncc1 ZINC000530218690 388631777 /nfs/dbraw/zinc/63/17/77/388631777.db2.gz GRSSDLBHNFOFBG-WDEREUQCSA-N 1 3 219.332 1.383 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1CCOC1 ZINC000530224240 388634062 /nfs/dbraw/zinc/63/40/62/388634062.db2.gz VRERNHRQMRZOTQ-AVGNSLFASA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227187 388635712 /nfs/dbraw/zinc/63/57/12/388635712.db2.gz VORLBKQRRTVZDV-ILNCMEPLSA-N 1 3 238.375 1.671 20 0 BDADHO C(C[C@H]1CCOC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530243892 388638956 /nfs/dbraw/zinc/63/89/56/388638956.db2.gz INLBGGJAFYCSKN-NWDGAFQWSA-N 1 3 224.348 1.287 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCNC12CCC2 ZINC000530245358 388639292 /nfs/dbraw/zinc/63/92/92/388639292.db2.gz WOQSXJGNZPETJE-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000248587531 388685258 /nfs/dbraw/zinc/68/52/58/388685258.db2.gz WYHFLRGKIWMARJ-RYUDHWBXSA-N 1 3 214.353 1.200 20 0 BDADHO CCN1CC[C@@H]([NH2+]CCN(C)C(C)C)[C@@H](C)C1 ZINC000247095774 388658684 /nfs/dbraw/zinc/65/86/84/388658684.db2.gz RZQWFTWAZCDXSE-UONOGXRCSA-N 1 3 241.423 1.647 20 0 BDADHO COC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000224437468 388664351 /nfs/dbraw/zinc/66/43/51/388664351.db2.gz HXDIZHICRZPJHC-QJPTWQEYSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224437468 388664354 /nfs/dbraw/zinc/66/43/54/388664354.db2.gz HXDIZHICRZPJHC-QJPTWQEYSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccccc1 ZINC000128283937 388744521 /nfs/dbraw/zinc/74/45/21/388744521.db2.gz QXFSWXYKJWRIFG-ZFWWWQNUSA-N 1 3 248.370 1.995 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccccc1 ZINC000128283937 388744522 /nfs/dbraw/zinc/74/45/22/388744522.db2.gz QXFSWXYKJWRIFG-ZFWWWQNUSA-N 1 3 248.370 1.995 20 0 BDADHO CCC[NH+]1CCC(NCC2=CCCOC2)CC1 ZINC000126281040 388693488 /nfs/dbraw/zinc/69/34/88/388693488.db2.gz VGFZYEFFHHBUIN-UHFFFAOYSA-N 1 3 238.375 1.797 20 0 BDADHO C[C@@H]1CCN(CCC[NH+]2CCCCC2)[C@H]1CO ZINC000248941153 388699391 /nfs/dbraw/zinc/69/93/91/388699391.db2.gz NYNRJIIERZFAIW-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO Cc1nc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000226313569 388714405 /nfs/dbraw/zinc/71/44/05/388714405.db2.gz PXFUGDYQGXKGTC-GHMZBOCLSA-N 1 3 239.388 1.854 20 0 BDADHO FC(F)OCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194036733 388721272 /nfs/dbraw/zinc/72/12/72/388721272.db2.gz YKICSOKLRNBIDQ-GHMZBOCLSA-N 1 3 248.317 1.832 20 0 BDADHO FC(F)OCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000194036733 388721274 /nfs/dbraw/zinc/72/12/74/388721274.db2.gz YKICSOKLRNBIDQ-GHMZBOCLSA-N 1 3 248.317 1.832 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000253025793 388797773 /nfs/dbraw/zinc/79/77/73/388797773.db2.gz NCFAYMQSUVPCPF-XDQVBPFNSA-N 1 3 240.391 1.658 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253233066 388810902 /nfs/dbraw/zinc/81/09/02/388810902.db2.gz LQGUNSNPUSZUJB-XUXIUFHCSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253233066 388810909 /nfs/dbraw/zinc/81/09/09/388810909.db2.gz LQGUNSNPUSZUJB-XUXIUFHCSA-N 1 3 238.375 1.506 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1C[C@@H](O)C1(C)C ZINC000228864079 388776989 /nfs/dbraw/zinc/77/69/89/388776989.db2.gz LSOPESNUDIMQDQ-JHJVBQTASA-N 1 3 240.391 1.610 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN[C@@H]1C[C@@H](O)C1(C)C ZINC000228864079 388776995 /nfs/dbraw/zinc/77/69/95/388776995.db2.gz LSOPESNUDIMQDQ-JHJVBQTASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000252760555 388781552 /nfs/dbraw/zinc/78/15/52/388781552.db2.gz MFIBJVDGBHCERW-NAKRPEOUSA-N 1 3 200.326 1.005 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000252760555 388781555 /nfs/dbraw/zinc/78/15/55/388781555.db2.gz MFIBJVDGBHCERW-NAKRPEOUSA-N 1 3 200.326 1.005 20 0 BDADHO CSCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000229209204 388783136 /nfs/dbraw/zinc/78/31/36/388783136.db2.gz LKTXRHXXOPQOJW-QWRGUYRKSA-N 1 3 216.394 1.847 20 0 BDADHO CC[C@@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000564943813 388899579 /nfs/dbraw/zinc/89/95/79/388899579.db2.gz QXULFWZDEVLAAP-JOYOIKCWSA-N 1 3 235.331 1.060 20 0 BDADHO C[C@@H](CC(=O)N(C)C)NCc1ccc(C[NH3+])cc1 ZINC000564973641 388904390 /nfs/dbraw/zinc/90/43/90/388904390.db2.gz MHHRYXQETOJABN-NSHDSACASA-N 1 3 249.358 1.102 20 0 BDADHO CCN1CCC([NH2+]C[C@H](C)N(C)C2CC2)CC1 ZINC000223240503 535474170 /nfs/dbraw/zinc/47/41/70/535474170.db2.gz UXADNPJJXPODDL-LBPRGKRZSA-N 1 3 239.407 1.543 20 0 BDADHO C(N[C@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000335644327 533372381 /nfs/dbraw/zinc/37/23/81/533372381.db2.gz TVZPODWWZVUALO-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220959243 134315020 /nfs/dbraw/zinc/31/50/20/134315020.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220959243 134315021 /nfs/dbraw/zinc/31/50/21/134315021.db2.gz PUHGDRDOVSKPQF-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000222912822 134336017 /nfs/dbraw/zinc/33/60/17/134336017.db2.gz IPQUNRKRTJEZPF-JHJVBQTASA-N 1 3 239.407 1.541 20 0 BDADHO CC(C)(C)N1CCC([NH2+]CC2(C)COC2)CC1 ZINC000223540857 134340337 /nfs/dbraw/zinc/34/03/37/134340337.db2.gz YCUMVTZEBCVKHG-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)(C)[NH+]1CCC(NCC2(C)COC2)CC1 ZINC000223540857 134340338 /nfs/dbraw/zinc/34/03/38/134340338.db2.gz YCUMVTZEBCVKHG-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000225155042 134351590 /nfs/dbraw/zinc/35/15/90/134351590.db2.gz VZACEFXOPGBZAC-GFCCVEGCSA-N 1 3 214.353 1.220 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000227426307 134380086 /nfs/dbraw/zinc/38/00/86/134380086.db2.gz VFRCXJKLFDHXQK-MCIONIFRSA-N 1 3 242.407 1.892 20 0 BDADHO CCN(C)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250091032 135049500 /nfs/dbraw/zinc/04/95/00/135049500.db2.gz WTFLSUSSPXSQCJ-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000250813170 135058907 /nfs/dbraw/zinc/05/89/07/135058907.db2.gz VRVOXQQZVTXNRN-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000250813170 135058909 /nfs/dbraw/zinc/05/89/09/135058909.db2.gz VRVOXQQZVTXNRN-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499947 135087235 /nfs/dbraw/zinc/08/72/35/135087235.db2.gz XYAFZZISIRAAQK-QNWHQSFQSA-N 1 3 226.364 1.268 20 0 BDADHO CCCCOCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000252697883 135094041 /nfs/dbraw/zinc/09/40/41/135094041.db2.gz JYSOKKVUVOIJRY-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252690456 135096983 /nfs/dbraw/zinc/09/69/83/135096983.db2.gz UZMLCYFRVLLQKE-CYDGBPFRSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252690456 135096984 /nfs/dbraw/zinc/09/69/84/135096984.db2.gz UZMLCYFRVLLQKE-CYDGBPFRSA-N 1 3 224.348 1.380 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703316 135098827 /nfs/dbraw/zinc/09/88/27/135098827.db2.gz UJDVILIIVPKLJE-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703316 135098830 /nfs/dbraw/zinc/09/88/30/135098830.db2.gz UJDVILIIVPKLJE-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252703316 135098832 /nfs/dbraw/zinc/09/88/32/135098832.db2.gz UJDVILIIVPKLJE-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252741069 135105648 /nfs/dbraw/zinc/10/56/48/135105648.db2.gz KSEZDVZKHZGETA-AHPWVWPOSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252741069 135105649 /nfs/dbraw/zinc/10/56/49/135105649.db2.gz KSEZDVZKHZGETA-AHPWVWPOSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@]1(CN2CCC3(CCC3)C2)CC[NH2+]C1 ZINC000261554515 135109093 /nfs/dbraw/zinc/10/90/93/135109093.db2.gz UIQWWGVXLBYWJZ-GFCCVEGCSA-N 1 3 208.349 1.862 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000252953971 135117217 /nfs/dbraw/zinc/11/72/17/135117217.db2.gz HEDDJLBPEWILIN-UTLUCORTSA-N 1 3 202.367 1.455 20 0 BDADHO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000258884654 135135366 /nfs/dbraw/zinc/13/53/66/135135366.db2.gz GQZJEGYPKRHNMB-QWHCGFSZSA-N 1 3 204.317 1.964 20 0 BDADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257742542 135141889 /nfs/dbraw/zinc/14/18/89/135141889.db2.gz ZDVHIDJLPDZWOM-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO Cc1ncc(C[NH2+][C@](C)(CN)C(C)C)s1 ZINC000261530293 135157172 /nfs/dbraw/zinc/15/71/72/135157172.db2.gz CGDGWHKVXOPRCY-LLVKDONJSA-N 1 3 227.377 1.915 20 0 BDADHO CO[C@H]1C[C@@H]([NH2+]C2CCNCC2)C1(C)C ZINC000261531113 135159584 /nfs/dbraw/zinc/15/95/84/135159584.db2.gz FFZFFMTUGSFDRL-MNOVXSKESA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1C[C@@H](NC2CC[NH2+]CC2)C1(C)C ZINC000261531113 135159586 /nfs/dbraw/zinc/15/95/86/135159586.db2.gz FFZFFMTUGSFDRL-MNOVXSKESA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532080 135161507 /nfs/dbraw/zinc/16/15/07/135161507.db2.gz JAQWPZSOUAWLQS-GXFFZTMASA-N 1 3 204.317 1.953 20 0 BDADHO C[C@H](N)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532080 135161508 /nfs/dbraw/zinc/16/15/08/135161508.db2.gz JAQWPZSOUAWLQS-GXFFZTMASA-N 1 3 204.317 1.953 20 0 BDADHO C[C@@H](N)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000261532081 135161803 /nfs/dbraw/zinc/16/18/03/135161803.db2.gz JAQWPZSOUAWLQS-MFKMUULPSA-N 1 3 204.317 1.953 20 0 BDADHO C[C@@H](N)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000261532081 135161804 /nfs/dbraw/zinc/16/18/04/135161804.db2.gz JAQWPZSOUAWLQS-MFKMUULPSA-N 1 3 204.317 1.953 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000261532440 135162282 /nfs/dbraw/zinc/16/22/82/135162282.db2.gz BMEWYWSUQLJXTR-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000261533598 135165180 /nfs/dbraw/zinc/16/51/80/135165180.db2.gz LBUAYSPCHPAQSE-GRYCIOLGSA-N 1 3 228.405 1.847 20 0 BDADHO CO[C@H](C)C[N@H+](C[C@H]1CCCNC1)C(C)C ZINC000261534266 135166482 /nfs/dbraw/zinc/16/64/82/135166482.db2.gz PCZDBOYFENGHLZ-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)C[N@@H+](C[C@H]1CCCNC1)C(C)C ZINC000261534266 135166484 /nfs/dbraw/zinc/16/64/84/135166484.db2.gz PCZDBOYFENGHLZ-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)CN(C[C@H]1CCC[NH2+]C1)C(C)C ZINC000261534266 135166486 /nfs/dbraw/zinc/16/64/86/135166486.db2.gz PCZDBOYFENGHLZ-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCNC[C@H]1C ZINC000261534910 135169077 /nfs/dbraw/zinc/16/90/77/135169077.db2.gz NJPZKYIVEGKNRB-MNOVXSKESA-N 1 3 214.353 1.247 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)[C@H](C)N ZINC000261535823 135170432 /nfs/dbraw/zinc/17/04/32/135170432.db2.gz PHZHYRZJNBMEFY-OPQQBVKSSA-N 1 3 204.317 1.999 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000261535700 135170534 /nfs/dbraw/zinc/17/05/34/135170534.db2.gz PCDQAZNZUQFFBE-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000261535700 135170535 /nfs/dbraw/zinc/17/05/35/135170535.db2.gz PCDQAZNZUQFFBE-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCS1 ZINC000087793226 135172651 /nfs/dbraw/zinc/17/26/51/135172651.db2.gz JIXMTYUDMHKPPU-IJLUTSLNSA-N 1 3 228.405 1.989 20 0 BDADHO Cc1noc(C)c1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000261538311 135175208 /nfs/dbraw/zinc/17/52/08/135175208.db2.gz ZELCKBZFYYUCOG-RYUDHWBXSA-N 1 3 237.347 1.899 20 0 BDADHO CCOC(=O)C[C@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000261539617 135178910 /nfs/dbraw/zinc/17/89/10/135178910.db2.gz AMVGFWVXKXOWTB-RYUDHWBXSA-N 1 3 242.363 1.260 20 0 BDADHO CCOC(=O)C[C@H](C)[N@H+](C)C[C@H]1CCCNC1 ZINC000261539617 135178911 /nfs/dbraw/zinc/17/89/11/135178911.db2.gz AMVGFWVXKXOWTB-RYUDHWBXSA-N 1 3 242.363 1.260 20 0 BDADHO CCOC(=O)C[C@H](C)[N@@H+](C)C[C@H]1CCCNC1 ZINC000261539617 135178913 /nfs/dbraw/zinc/17/89/13/135178913.db2.gz AMVGFWVXKXOWTB-RYUDHWBXSA-N 1 3 242.363 1.260 20 0 BDADHO c1ccc(CCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261542157 135182817 /nfs/dbraw/zinc/18/28/17/135182817.db2.gz BWNDORPPFRHSFD-HUUCEWRRSA-N 1 3 230.355 1.770 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000261543565 135184664 /nfs/dbraw/zinc/18/46/64/135184664.db2.gz UOKFLBPNPGMUNE-RFGFWPKPSA-N 1 3 240.391 1.645 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000261543566 135184894 /nfs/dbraw/zinc/18/48/94/135184894.db2.gz UOKFLBPNPGMUNE-XUXIUFHCSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)[C@H](C)N ZINC000261551596 135190819 /nfs/dbraw/zinc/19/08/19/135190819.db2.gz MIHSMHJSPLWEJH-AEJSXWLSSA-N 1 3 236.315 1.802 20 0 BDADHO CCOCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216109 135192375 /nfs/dbraw/zinc/19/23/75/135192375.db2.gz BONGANRAPBWHLJ-GHMZBOCLSA-N 1 3 200.326 1.130 20 0 BDADHO CCOCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216109 135192377 /nfs/dbraw/zinc/19/23/77/135192377.db2.gz BONGANRAPBWHLJ-GHMZBOCLSA-N 1 3 200.326 1.130 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216845 135192746 /nfs/dbraw/zinc/19/27/46/135192746.db2.gz UYEUDUSAUCFYEM-QJPTWQEYSA-N 1 3 212.337 1.273 20 0 BDADHO COc1ccccc1C[C@H](C)N[C@H](C)[C@@H](C)[NH3+] ZINC000261554153 135194144 /nfs/dbraw/zinc/19/41/44/135194144.db2.gz OOJZAAIZBMCJGN-QJPTWQEYSA-N 1 3 236.359 1.952 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261561091 135201957 /nfs/dbraw/zinc/20/19/57/135201957.db2.gz VBLMUKKOSUIYLL-UONOGXRCSA-N 1 3 240.391 1.910 20 0 BDADHO Cc1nc(C)c(CN[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000261566977 135208575 /nfs/dbraw/zinc/20/85/75/135208575.db2.gz DTETUVSVRXVWPQ-MNOVXSKESA-N 1 3 239.388 1.977 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCOCC1CC1 ZINC000261566415 135208779 /nfs/dbraw/zinc/20/87/79/135208779.db2.gz DNAJPPWARCJPKU-GFCCVEGCSA-N 1 3 226.364 1.391 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCOCC1CC1 ZINC000261566415 135208781 /nfs/dbraw/zinc/20/87/81/135208781.db2.gz DNAJPPWARCJPKU-GFCCVEGCSA-N 1 3 226.364 1.391 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261567837 135209431 /nfs/dbraw/zinc/20/94/31/135209431.db2.gz ITFFOCLJFVNHRC-KKUMJFAQSA-N 1 3 245.370 1.949 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCC1 ZINC000261568741 135210436 /nfs/dbraw/zinc/21/04/36/135210436.db2.gz FURRKIAPTHYYGC-VXGBXAGGSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000261568430 135210712 /nfs/dbraw/zinc/21/07/12/135210712.db2.gz FPHHKUPJVOQIHW-XQQFMLRXSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@]1(C[NH3+])CCN(CCc2cccnc2)C1 ZINC000261576664 135218576 /nfs/dbraw/zinc/21/85/76/135218576.db2.gz KMUWDTCYXIPAQA-ZDUSSCGKSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CCc2cccnc2)C1 ZINC000261576664 135218577 /nfs/dbraw/zinc/21/85/77/135218577.db2.gz KMUWDTCYXIPAQA-ZDUSSCGKSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CCc2cccnc2)C1 ZINC000261576664 135218578 /nfs/dbraw/zinc/21/85/78/135218578.db2.gz KMUWDTCYXIPAQA-ZDUSSCGKSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCc2ccccc2C1 ZINC000261580228 135220678 /nfs/dbraw/zinc/22/06/78/135220678.db2.gz MUUSGEAJCXNHND-COPLHBTASA-N 1 3 218.344 1.869 20 0 BDADHO COCC1(C)CC[NH+](CC(C)(C)N)CC1 ZINC000261592004 135232829 /nfs/dbraw/zinc/23/28/29/135232829.db2.gz VQHIZBWCQBWROT-UHFFFAOYSA-N 1 3 214.353 1.472 20 0 BDADHO Cc1ncccc1CN1CCC(C[NH3+])CC1 ZINC000261594246 135234547 /nfs/dbraw/zinc/23/45/47/135234547.db2.gz XJOZBVMECQLKFJ-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO C[C@]1(CN)CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261596174 135235831 /nfs/dbraw/zinc/23/58/31/135235831.db2.gz YOVHKFXWZPGIFH-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261596174 135235832 /nfs/dbraw/zinc/23/58/32/135235832.db2.gz YOVHKFXWZPGIFH-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@H](CNC1=[NH+]CCCN1)N1CCC[C@H](C)C1 ZINC000261699472 135247012 /nfs/dbraw/zinc/24/70/12/135247012.db2.gz CJMWWFSCWRTOFE-NWDGAFQWSA-N 1 3 238.379 1.046 20 0 BDADHO C[C@@]1(C[NH3+])CCN(Cc2cccc3c[nH]nc32)C1 ZINC000261728734 135248164 /nfs/dbraw/zinc/24/81/64/135248164.db2.gz OEHLCPQZYUHTKL-AWEZNQCLSA-N 1 3 244.342 1.734 20 0 BDADHO C[C@@]1(CN)CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728734 135248165 /nfs/dbraw/zinc/24/81/65/135248165.db2.gz OEHLCPQZYUHTKL-AWEZNQCLSA-N 1 3 244.342 1.734 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728734 135248166 /nfs/dbraw/zinc/24/81/66/135248166.db2.gz OEHLCPQZYUHTKL-AWEZNQCLSA-N 1 3 244.342 1.734 20 0 BDADHO CC[C@@]1(CO)CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261749224 135249794 /nfs/dbraw/zinc/24/97/94/135249794.db2.gz CBSKYKYCVNPEET-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@@]1(CO)CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261749224 135249795 /nfs/dbraw/zinc/24/97/95/135249795.db2.gz CBSKYKYCVNPEET-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@@]1(CO)CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261749224 135249796 /nfs/dbraw/zinc/24/97/96/135249796.db2.gz CBSKYKYCVNPEET-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@]1(C[NH3+])CCN(Cc2cccc3c2NCC3)C1 ZINC000261821872 135255141 /nfs/dbraw/zinc/25/51/41/135255141.db2.gz XZSRQJUCXCZVFC-OAHLLOKOSA-N 1 3 245.370 1.825 20 0 BDADHO C[C@]1(CN)CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261821872 135255142 /nfs/dbraw/zinc/25/51/42/135255142.db2.gz XZSRQJUCXCZVFC-OAHLLOKOSA-N 1 3 245.370 1.825 20 0 BDADHO C[C@]1(CN)CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261821872 135255143 /nfs/dbraw/zinc/25/51/43/135255143.db2.gz XZSRQJUCXCZVFC-OAHLLOKOSA-N 1 3 245.370 1.825 20 0 BDADHO COC(=O)[C@@]1(C)CCCN1CC1CC[NH2+]CC1 ZINC000261835701 135256212 /nfs/dbraw/zinc/25/62/12/135256212.db2.gz JJSIECQNWOHUCO-CYBMUJFWSA-N 1 3 240.347 1.014 20 0 BDADHO C[C@@H](CNC1=[NH+]CCCN1)N1CCCC[C@H]1C ZINC000261872596 135259072 /nfs/dbraw/zinc/25/90/72/135259072.db2.gz PDCCTNXEGVWDJD-NEPJUHHUSA-N 1 3 238.379 1.188 20 0 BDADHO c1cn(C[C@@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261932041 135264198 /nfs/dbraw/zinc/26/41/98/135264198.db2.gz LREIKDXLGGILBN-KGLIPLIRSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cn1 ZINC000261932041 135264200 /nfs/dbraw/zinc/26/42/00/135264200.db2.gz LREIKDXLGGILBN-KGLIPLIRSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cn1 ZINC000261932041 135264202 /nfs/dbraw/zinc/26/42/02/135264202.db2.gz LREIKDXLGGILBN-KGLIPLIRSA-N 1 3 248.374 1.347 20 0 BDADHO CCC1(CO)CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261932771 135264620 /nfs/dbraw/zinc/26/46/20/135264620.db2.gz CWYVHCPPUVFONB-ZDUSSCGKSA-N 1 3 240.391 1.471 20 0 BDADHO COC(=O)C(C)(C)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261975079 135269199 /nfs/dbraw/zinc/26/91/99/135269199.db2.gz QQXZKNKRAPZIBB-MNOVXSKESA-N 1 3 242.363 1.245 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC(C)(C)COC)C1 ZINC000262029309 135273625 /nfs/dbraw/zinc/27/36/25/135273625.db2.gz WXWIZILAGJPHES-LBPRGKRZSA-N 1 3 228.380 1.590 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@](C)(N)CCC ZINC000262615216 135308731 /nfs/dbraw/zinc/30/87/31/135308731.db2.gz XWTKFGVSCOWVDX-PWSUYJOCSA-N 1 3 229.368 1.138 20 0 BDADHO C[C@H]1NCCN(C(=O)CCCCCC[NH3+])[C@H]1C ZINC000262698005 135314376 /nfs/dbraw/zinc/31/43/76/135314376.db2.gz AEFLDIMOWPKAAC-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000262718086 135315366 /nfs/dbraw/zinc/31/53/66/135315366.db2.gz WZJKEBFEAOFQHO-AAEUAGOBSA-N 1 3 243.395 1.350 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000263258730 135342454 /nfs/dbraw/zinc/34/24/54/135342454.db2.gz QQWMPPBTGVMFSI-ZOBORPQBSA-N 1 3 238.375 1.125 20 0 BDADHO CSC1(CN2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000347863890 136016559 /nfs/dbraw/zinc/01/65/59/136016559.db2.gz LFGGXDMBSALHNW-NSHDSACASA-N 1 3 228.405 1.766 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2C(F)F)[C@H](C)C1 ZINC000348185647 136044642 /nfs/dbraw/zinc/04/46/42/136044642.db2.gz QGSOOUUZVCNUDB-CHWFTXMASA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]2C(F)F)[C@H](C)C1 ZINC000348185647 136044643 /nfs/dbraw/zinc/04/46/43/136044643.db2.gz QGSOOUUZVCNUDB-CHWFTXMASA-N 1 3 232.318 1.960 20 0 BDADHO F[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000335386118 136088990 /nfs/dbraw/zinc/08/89/90/136088990.db2.gz MZXYFYWKPNEAIU-GXSJLCMTSA-N 1 3 200.301 1.609 20 0 BDADHO C[C@@H]1[C@H](C)[N@H+](C[C@H]2CCCN2C)CCN1C ZINC000649573197 397965344 /nfs/dbraw/zinc/96/53/44/397965344.db2.gz XIVZMWRSPDPRRD-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@H]1[C@H](C)[N@@H+](C[C@H]2CCCN2C)CCN1C ZINC000649573197 397965346 /nfs/dbraw/zinc/96/53/46/397965346.db2.gz XIVZMWRSPDPRRD-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO CCN1CCC([N@H+](C)C[C@H]2CCCN2C)CC1 ZINC000649546807 397937592 /nfs/dbraw/zinc/93/75/92/397937592.db2.gz AUQLZURYJNADNP-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCC([N@@H+](C)C[C@H]2CCCN2C)CC1 ZINC000649546807 397937598 /nfs/dbraw/zinc/93/75/98/397937598.db2.gz AUQLZURYJNADNP-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCN2C)CCN1C ZINC000649547188 397938472 /nfs/dbraw/zinc/93/84/72/397938472.db2.gz NIZGKKQYSUEZKD-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCN2C)CCN1C ZINC000649547188 397938475 /nfs/dbraw/zinc/93/84/75/397938475.db2.gz NIZGKKQYSUEZKD-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO NCCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000414669046 398012023 /nfs/dbraw/zinc/01/20/23/398012023.db2.gz BBWYYXFNQAOQME-CQSZACIVSA-N 1 3 218.344 1.900 20 0 BDADHO NCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000414669046 398012026 /nfs/dbraw/zinc/01/20/26/398012026.db2.gz BBWYYXFNQAOQME-CQSZACIVSA-N 1 3 218.344 1.900 20 0 BDADHO [NH3+]CCCN1CC[C@H](Cc2ccccc2)C1 ZINC000414669046 398012029 /nfs/dbraw/zinc/01/20/29/398012029.db2.gz BBWYYXFNQAOQME-CQSZACIVSA-N 1 3 218.344 1.900 20 0 BDADHO Cc1ccc(CCCNC[C@@H]([NH3+])C(C)C)cn1 ZINC000414792156 398038960 /nfs/dbraw/zinc/03/89/60/398038960.db2.gz IVGHJBCCJQKXSK-CQSZACIVSA-N 1 3 235.375 1.896 20 0 BDADHO COC1(CNCC(C)(C)[NH3+])CCCC1 ZINC000389251371 398061129 /nfs/dbraw/zinc/06/11/29/398061129.db2.gz DPMPLHYLHKCOMX-UHFFFAOYSA-N 1 3 200.326 1.273 20 0 BDADHO C[NH2+]CCN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414829650 398050957 /nfs/dbraw/zinc/05/09/57/398050957.db2.gz MYGJRIHPKATSQT-IUCAKERBSA-N 1 3 224.270 1.917 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000515054256 398131731 /nfs/dbraw/zinc/13/17/31/398131731.db2.gz DJSTWEFYYGQLPZ-RWMBFGLXSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000515054256 398131734 /nfs/dbraw/zinc/13/17/34/398131734.db2.gz DJSTWEFYYGQLPZ-RWMBFGLXSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000515054256 398131736 /nfs/dbraw/zinc/13/17/36/398131736.db2.gz DJSTWEFYYGQLPZ-RWMBFGLXSA-N 1 3 228.380 1.466 20 0 BDADHO Fc1ccccc1CNCC[C@H]1CC[NH2+]C1 ZINC000258891293 322878102 /nfs/dbraw/zinc/87/81/02/322878102.db2.gz CNSFICZTVDLLQA-LLVKDONJSA-N 1 3 222.307 1.915 20 0 BDADHO C[C@@H]1CN(CCC[NH3+])c2cc(F)ccc2CN1 ZINC000334841491 487567722 /nfs/dbraw/zinc/56/77/22/487567722.db2.gz NQPGWXPYZBOKCO-SNVBAGLBSA-N 1 3 237.322 1.473 20 0 BDADHO C(N[C@@H]1CCCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000308866153 487570967 /nfs/dbraw/zinc/57/09/67/487570967.db2.gz XARUIWNZJSZGMK-NEPJUHHUSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@](C[NH3+])(NCCOCc1ccccc1)C1CC1 ZINC000662247907 409543675 /nfs/dbraw/zinc/54/36/75/409543675.db2.gz OLIZSVIPSLPTMC-OAHLLOKOSA-N 1 3 248.370 1.920 20 0 BDADHO CO[C@H](CN[C@@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248193 409543975 /nfs/dbraw/zinc/54/39/75/409543975.db2.gz VXHPBLBJYRLEIC-KGLIPLIRSA-N 1 3 240.391 1.909 20 0 BDADHO CO[C@@H](CN[C@@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248192 409544975 /nfs/dbraw/zinc/54/49/75/409544975.db2.gz VXHPBLBJYRLEIC-KBPBESRZSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1nocc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662271975 409578801 /nfs/dbraw/zinc/57/88/01/409578801.db2.gz CNFXGVUGTKUHOE-CYBMUJFWSA-N 1 3 249.358 1.805 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H]1CC1(C)C ZINC000662344741 409658097 /nfs/dbraw/zinc/65/80/97/409658097.db2.gz SEGIGUAZJDSJQB-NWDGAFQWSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CC1(C)C ZINC000662344741 409658104 /nfs/dbraw/zinc/65/81/04/409658104.db2.gz SEGIGUAZJDSJQB-NWDGAFQWSA-N 1 3 228.380 1.277 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@@H](C)O)CN1CCCC1 ZINC000087129789 487612014 /nfs/dbraw/zinc/61/20/14/487612014.db2.gz YMZQAYTXLQNXTI-GRYCIOLGSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H](C)O)C[NH+]1CCCC1 ZINC000087129789 487612019 /nfs/dbraw/zinc/61/20/19/487612019.db2.gz YMZQAYTXLQNXTI-GRYCIOLGSA-N 1 3 214.353 1.077 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650712179 410342908 /nfs/dbraw/zinc/34/29/08/410342908.db2.gz UXDCQYXTYVBLDC-GXFFZTMASA-N 1 3 236.363 1.667 20 0 BDADHO NCCC[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650721172 410357869 /nfs/dbraw/zinc/35/78/69/410357869.db2.gz TVQUGPBZDYYTJF-ZDUSSCGKSA-N 1 3 233.359 1.742 20 0 BDADHO [NH3+]CCCNCC[C@@H]1CCc2ccccc2N1 ZINC000650721172 410357875 /nfs/dbraw/zinc/35/78/75/410357875.db2.gz TVQUGPBZDYYTJF-ZDUSSCGKSA-N 1 3 233.359 1.742 20 0 BDADHO CC[C@H](COC)NCc1ccccc1C[NH2+]C ZINC000650720174 410358322 /nfs/dbraw/zinc/35/83/22/410358322.db2.gz HAABUZPQSRCYBI-CQSZACIVSA-N 1 3 236.359 1.921 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CNc2ccccc2C1 ZINC000650748123 410388731 /nfs/dbraw/zinc/38/87/31/410388731.db2.gz NMWYUQGGODIFNW-KCQAQPDRSA-N 1 3 245.370 1.740 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650748123 410388732 /nfs/dbraw/zinc/38/87/32/410388732.db2.gz NMWYUQGGODIFNW-KCQAQPDRSA-N 1 3 245.370 1.740 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@H](C)[C@H](C)OC ZINC000650758163 410407035 /nfs/dbraw/zinc/40/70/35/410407035.db2.gz KOGGWEKYPGPQLI-NEPJUHHUSA-N 1 3 236.359 1.919 20 0 BDADHO C[C@@H]1COCC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000301019655 410642466 /nfs/dbraw/zinc/64/24/66/410642466.db2.gz NHIMHXJAXVEVAK-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@](C)(CC)C1 ZINC000309276217 410701942 /nfs/dbraw/zinc/70/19/42/410701942.db2.gz SCNOLNNIWDFORI-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@](C)(CC)C1 ZINC000309276217 410701946 /nfs/dbraw/zinc/70/19/46/410701946.db2.gz SCNOLNNIWDFORI-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCC1([NH3+])CCCC1 ZINC000665249415 410731677 /nfs/dbraw/zinc/73/16/77/410731677.db2.gz PUFAYCXKYCDXRQ-ZJUUUORDSA-N 1 3 200.326 1.271 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249415 410731683 /nfs/dbraw/zinc/73/16/83/410731683.db2.gz PUFAYCXKYCDXRQ-ZJUUUORDSA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)[C@H]1CCOC1 ZINC000665280821 410756527 /nfs/dbraw/zinc/75/65/27/410756527.db2.gz MJCFIGWPKDYYPJ-XQQFMLRXSA-N 1 3 228.380 1.765 20 0 BDADHO C[NH2+]C[C@@H](C)NC1CCC(COC)CC1 ZINC000665298634 410829623 /nfs/dbraw/zinc/82/96/23/410829623.db2.gz ZFXKHVIIZNYZDA-VOMCLLRMSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC000395042844 410834443 /nfs/dbraw/zinc/83/44/43/410834443.db2.gz JVSJPWKAAJOYTP-RHYQMDGZSA-N 1 3 212.337 1.284 20 0 BDADHO CC(C)OCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000160036664 167244202 /nfs/dbraw/zinc/24/42/02/167244202.db2.gz QDYZAWZNAVAKBX-MCIONIFRSA-N 1 3 240.391 1.922 20 0 BDADHO c1coc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400940065 411163183 /nfs/dbraw/zinc/16/31/83/411163183.db2.gz AVMLIRIVJZJOFN-GRYCIOLGSA-N 1 3 220.316 1.757 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1N ZINC000400676888 411159020 /nfs/dbraw/zinc/15/90/20/411159020.db2.gz UZWHSHJJBILITO-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1N ZINC000400676888 411159025 /nfs/dbraw/zinc/15/90/25/411159025.db2.gz UZWHSHJJBILITO-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000400676888 411159028 /nfs/dbraw/zinc/15/90/28/411159028.db2.gz UZWHSHJJBILITO-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CCC(C)(C)N1CCN(C[C@H](C)[NH3+])CC1 ZINC000655948085 411161319 /nfs/dbraw/zinc/16/13/19/411161319.db2.gz XRIOCKGAXNCMKH-NSHDSACASA-N 1 3 213.369 1.140 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000300391427 411120586 /nfs/dbraw/zinc/12/05/86/411120586.db2.gz XNKPZHFVVMPKKH-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO Cc1noc(C)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401045934 411174549 /nfs/dbraw/zinc/17/45/49/411174549.db2.gz VUEMTXUTDOZVOU-JHJVBQTASA-N 1 3 249.358 1.769 20 0 BDADHO c1csc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401060198 411175714 /nfs/dbraw/zinc/17/57/14/411175714.db2.gz JIFGBLWCECUOFH-GMTAPVOTSA-N 1 3 237.372 1.621 20 0 BDADHO CCn1ccnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401087346 411176435 /nfs/dbraw/zinc/17/64/35/411176435.db2.gz SBMAOSJQRSNPGX-JHJVBQTASA-N 1 3 248.374 1.381 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2CN)c(C)c1 ZINC000656199750 411204212 /nfs/dbraw/zinc/20/42/12/411204212.db2.gz BXSVYDYFZNUCHT-DZGCQCFKSA-N 1 3 247.386 1.958 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000656199750 411204216 /nfs/dbraw/zinc/20/42/16/411204216.db2.gz BXSVYDYFZNUCHT-DZGCQCFKSA-N 1 3 247.386 1.958 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCC1CC1 ZINC000656200944 411206411 /nfs/dbraw/zinc/20/64/11/411206411.db2.gz ZOIYPIPPXWEQDX-UHTWSYAYSA-N 1 3 226.364 1.519 20 0 BDADHO COCC1(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000656201797 411208031 /nfs/dbraw/zinc/20/80/31/411208031.db2.gz ZMYCYASFKWLMQQ-VHSXEESVSA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCC[C@H]1N ZINC000422903572 411234456 /nfs/dbraw/zinc/23/44/56/411234456.db2.gz FRQDHOBUBHHWKU-QJPTWQEYSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H]1CO[C@@H](C)CN1CCCC1CC[NH2+]CC1 ZINC000050952665 411269614 /nfs/dbraw/zinc/26/96/14/411269614.db2.gz CNFNVQLWTQCVTA-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(C[C@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402606139 411272845 /nfs/dbraw/zinc/27/28/45/411272845.db2.gz ULYMXMXAHZFFPI-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)(C)[C@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466716 411279130 /nfs/dbraw/zinc/27/91/30/411279130.db2.gz HHYCOTMEKSVXTH-GXSJLCMTSA-N 1 3 237.351 1.249 20 0 BDADHO CC(C)(C)[C@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466720 411279351 /nfs/dbraw/zinc/27/93/51/411279351.db2.gz HHYCOTMEKSVXTH-MWLCHTKSSA-N 1 3 237.351 1.249 20 0 BDADHO C[C@@H]1C[C@@H](NCCO[C@@H]2CC2(F)F)CC[N@@H+]1C ZINC000658170492 411280320 /nfs/dbraw/zinc/28/03/20/411280320.db2.gz SZZCNJCZEMFWQI-OUAUKWLOSA-N 1 3 248.317 1.483 20 0 BDADHO C[C@@H]1C[C@@H](NCCO[C@@H]2CC2(F)F)CC[N@H+]1C ZINC000658170492 411280323 /nfs/dbraw/zinc/28/03/23/411280323.db2.gz SZZCNJCZEMFWQI-OUAUKWLOSA-N 1 3 248.317 1.483 20 0 BDADHO C(CN1CCN(C2CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000051919170 411286403 /nfs/dbraw/zinc/28/64/03/411286403.db2.gz KFHGDVVZUZRKEA-ZDUSSCGKSA-N 1 3 237.391 1.156 20 0 BDADHO C(CN1CCN(C2CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000051919169 411286569 /nfs/dbraw/zinc/28/65/69/411286569.db2.gz KFHGDVVZUZRKEA-CYBMUJFWSA-N 1 3 237.391 1.156 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661764167 411308356 /nfs/dbraw/zinc/30/83/56/411308356.db2.gz AOMLAJRYSOJBCN-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661764167 411308357 /nfs/dbraw/zinc/30/83/57/411308357.db2.gz AOMLAJRYSOJBCN-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000130522992 411357606 /nfs/dbraw/zinc/35/76/06/411357606.db2.gz JKKPCTSJCNICJL-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000130522992 411357608 /nfs/dbraw/zinc/35/76/08/411357608.db2.gz JKKPCTSJCNICJL-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO Nc1cccc(C[NH2+]C2CCNCC2)c1 ZINC000656786389 411366230 /nfs/dbraw/zinc/36/62/30/411366230.db2.gz YUHOVPRRGGBFKB-UHFFFAOYSA-N 1 3 205.305 1.110 20 0 BDADHO CC[C@@H](COC)NCC1([NH3+])CCCC1 ZINC000656789098 411369614 /nfs/dbraw/zinc/36/96/14/411369614.db2.gz JAWRXJVTNWZFCZ-JTQLQIEISA-N 1 3 200.326 1.273 20 0 BDADHO CC[C@@H](COC)[NH2+]CC1(N)CCCC1 ZINC000656789098 411369615 /nfs/dbraw/zinc/36/96/15/411369615.db2.gz JAWRXJVTNWZFCZ-JTQLQIEISA-N 1 3 200.326 1.273 20 0 BDADHO c1ccc2c(c1)CN(CC1CC[NH2+]CC1)CCO2 ZINC000063012752 411333658 /nfs/dbraw/zinc/33/36/58/411333658.db2.gz YCJMOZBBZBVIRH-UHFFFAOYSA-N 1 3 246.354 1.881 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562268 411372050 /nfs/dbraw/zinc/37/20/50/411372050.db2.gz GXMKXSXESSLCGA-MVKMKZAISA-N 1 3 226.364 1.255 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850430 411342280 /nfs/dbraw/zinc/34/22/80/411342280.db2.gz PMSINIXMUVPRIY-YOTBANQPSA-N 1 3 206.333 1.184 20 0 BDADHO CC1(CN2CC[C@H](C[NH+]3CCCC3)C2)COC1 ZINC000336689747 168026500 /nfs/dbraw/zinc/02/65/00/168026500.db2.gz HUXRKNRDEUDFDW-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO CC1(C[N@@H+]2CC[C@H](CN3CCCC3)C2)COC1 ZINC000336689747 168026504 /nfs/dbraw/zinc/02/65/04/168026504.db2.gz HUXRKNRDEUDFDW-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO CC1(C[N@H+]2CC[C@H](CN3CCCC3)C2)COC1 ZINC000336689747 168026506 /nfs/dbraw/zinc/02/65/06/168026506.db2.gz HUXRKNRDEUDFDW-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO C[C@@H]1CCC[N@H+](CCCF)[C@H]1CCN ZINC000404305401 411389814 /nfs/dbraw/zinc/38/98/14/411389814.db2.gz RUMMUZWIUMSQLP-MNOVXSKESA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCCF)[C@H]1CCN ZINC000404305401 411389817 /nfs/dbraw/zinc/38/98/17/411389817.db2.gz RUMMUZWIUMSQLP-MNOVXSKESA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1CCCN(CCCF)[C@H]1CC[NH3+] ZINC000404305401 411389822 /nfs/dbraw/zinc/38/98/22/411389822.db2.gz RUMMUZWIUMSQLP-MNOVXSKESA-N 1 3 202.317 1.795 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]CCCN(C)C(C)C)CO1 ZINC000657305974 411456666 /nfs/dbraw/zinc/45/66/66/411456666.db2.gz WNUKFRYWAQZTLN-CHWSQXEVSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[NH2+]CC(=O)Nc1ccc2c(c1)CNC2 ZINC000659314378 411392990 /nfs/dbraw/zinc/39/29/90/411392990.db2.gz XIROZWQCKNGURH-UHFFFAOYSA-N 1 3 233.315 1.226 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H](C)C[NH+]2CCCC2)CO1 ZINC000657319216 411460852 /nfs/dbraw/zinc/46/08/52/411460852.db2.gz VMPAKQLEIYFMCQ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CCCC2)CO1 ZINC000657319216 411460853 /nfs/dbraw/zinc/46/08/53/411460853.db2.gz VMPAKQLEIYFMCQ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@H](C)CC)C[C@H]1CN ZINC000405385905 411427724 /nfs/dbraw/zinc/42/77/24/411427724.db2.gz PLWADGUGYREYTF-IJLUTSLNSA-N 1 3 214.353 1.328 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1CN ZINC000405385905 411427727 /nfs/dbraw/zinc/42/77/27/411427727.db2.gz PLWADGUGYREYTF-IJLUTSLNSA-N 1 3 214.353 1.328 20 0 BDADHO Cc1cnn(CCN2CCC(CC[NH3+])CC2)c1 ZINC000306055743 411431978 /nfs/dbraw/zinc/43/19/78/411431978.db2.gz QWAQIHKOCKJJQN-UHFFFAOYSA-N 1 3 236.363 1.252 20 0 BDADHO CN(CCC[NH3+])CCC(=O)Nc1ccccc1 ZINC000123288618 411440589 /nfs/dbraw/zinc/44/05/89/411440589.db2.gz QMSVAEKJBHAHQB-UHFFFAOYSA-N 1 3 235.331 1.296 20 0 BDADHO CCN(C[C@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000659939481 411504262 /nfs/dbraw/zinc/50/42/62/411504262.db2.gz HQIRXKKEQPZIKM-CYBMUJFWSA-N 1 3 228.380 1.562 20 0 BDADHO CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000659939481 411504263 /nfs/dbraw/zinc/50/42/63/411504263.db2.gz HQIRXKKEQPZIKM-CYBMUJFWSA-N 1 3 228.380 1.562 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360412252 170016138 /nfs/dbraw/zinc/01/61/38/170016138.db2.gz GAANYNLLNBBEQI-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cn2cccn2)C1 ZINC000122132616 170017127 /nfs/dbraw/zinc/01/71/27/170017127.db2.gz HRYYWSYVGIIJLZ-QWHCGFSZSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)Cn2cccn2)C1 ZINC000122132616 170017128 /nfs/dbraw/zinc/01/71/28/170017128.db2.gz HRYYWSYVGIIJLZ-QWHCGFSZSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)Cn2cccn2)C1 ZINC000122132616 170017130 /nfs/dbraw/zinc/01/71/30/170017130.db2.gz HRYYWSYVGIIJLZ-QWHCGFSZSA-N 1 3 236.363 1.203 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367596086 170017264 /nfs/dbraw/zinc/01/72/64/170017264.db2.gz DBDLQSPWQDWUHS-DGCLKSJQSA-N 1 3 248.374 1.719 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CNC1(C2CC2)CC1 ZINC000660253650 411559988 /nfs/dbraw/zinc/55/99/88/411559988.db2.gz KPYQKXLTQARMNH-LBPRGKRZSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CNC1(C2CC2)CC1 ZINC000660253650 411559990 /nfs/dbraw/zinc/55/99/90/411559990.db2.gz KPYQKXLTQARMNH-LBPRGKRZSA-N 1 3 226.364 1.220 20 0 BDADHO CCOCC[N@H+](CC)CC[C@@H]1CCCN1C ZINC000121115876 170395015 /nfs/dbraw/zinc/39/50/15/170395015.db2.gz RKWQJWBPEFJREY-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCC[N@@H+](CC)CC[C@@H]1CCCN1C ZINC000121115876 170395017 /nfs/dbraw/zinc/39/50/17/170395017.db2.gz RKWQJWBPEFJREY-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO C[NH+](C)CCCN[C@H]1COC2(CCC2)C1 ZINC000657817882 411605423 /nfs/dbraw/zinc/60/54/23/411605423.db2.gz QJVBWQJVZAKSCH-LLVKDONJSA-N 1 3 212.337 1.239 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCF)C2 ZINC000660654919 411613358 /nfs/dbraw/zinc/61/33/58/411613358.db2.gz DBKNGYFIZAZCLQ-GFCCVEGCSA-N 1 3 214.328 1.764 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCF)C2 ZINC000660654919 411613360 /nfs/dbraw/zinc/61/33/60/411613360.db2.gz DBKNGYFIZAZCLQ-GFCCVEGCSA-N 1 3 214.328 1.764 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCC(C)(C)O)C2 ZINC000660661007 411615308 /nfs/dbraw/zinc/61/53/08/411615308.db2.gz YNBXKNQRWDZPKR-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCC(C)(C)O)C2 ZINC000660661007 411615309 /nfs/dbraw/zinc/61/53/09/411615309.db2.gz YNBXKNQRWDZPKR-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](CC1CCC1)[NH2+]CC12CC(C1)CN2 ZINC000663498366 411681024 /nfs/dbraw/zinc/68/10/24/411681024.db2.gz PGZIXGJBTRWQHE-PKSQDBQZSA-N 1 3 208.349 1.907 20 0 BDADHO COCC(C)(C)C[NH2+]CC12CC(C1)CN2 ZINC000663500864 411683377 /nfs/dbraw/zinc/68/33/77/411683377.db2.gz PTMNWFWZEJDJSI-UHFFFAOYSA-N 1 3 212.337 1.001 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cn1cccn1 ZINC000663503675 411687627 /nfs/dbraw/zinc/68/76/27/411687627.db2.gz RSRJEZXKLNAPGF-VXGBXAGGSA-N 1 3 224.352 1.235 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661831616 411896286 /nfs/dbraw/zinc/89/62/86/411896286.db2.gz PNQNALSADURFHQ-JHJVBQTASA-N 1 3 238.375 1.364 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661831616 411896289 /nfs/dbraw/zinc/89/62/89/411896289.db2.gz PNQNALSADURFHQ-JHJVBQTASA-N 1 3 238.375 1.364 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661831616 411896291 /nfs/dbraw/zinc/89/62/91/411896291.db2.gz PNQNALSADURFHQ-JHJVBQTASA-N 1 3 238.375 1.364 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@@H](N)C1)C1CCCC1 ZINC000662235774 412033602 /nfs/dbraw/zinc/03/36/02/412033602.db2.gz SNCYKTGVRYRADU-OLZOCXBDSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@@H](N)C1)C1CCCC1 ZINC000662235774 412033606 /nfs/dbraw/zinc/03/36/06/412033606.db2.gz SNCYKTGVRYRADU-OLZOCXBDSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H](CC(F)F)C[N@@H+]1CCCNCC1 ZINC000662241856 412037276 /nfs/dbraw/zinc/03/72/76/412037276.db2.gz XVGXEQNGVJBSQS-JTQLQIEISA-N 1 3 220.307 1.963 20 0 BDADHO CC[C@@H](CC(F)F)C[N@H+]1CCCNCC1 ZINC000662241856 412037278 /nfs/dbraw/zinc/03/72/78/412037278.db2.gz XVGXEQNGVJBSQS-JTQLQIEISA-N 1 3 220.307 1.963 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H](N)C1)C1CCCCC1 ZINC000662243528 412039133 /nfs/dbraw/zinc/03/91/33/412039133.db2.gz MXBFLHPEZFCVKV-QWHCGFSZSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H](N)C1)C1CCCCC1 ZINC000662243528 412039139 /nfs/dbraw/zinc/03/91/39/412039139.db2.gz MXBFLHPEZFCVKV-QWHCGFSZSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)C1CCCC1 ZINC000662244926 412041992 /nfs/dbraw/zinc/04/19/92/412041992.db2.gz PQKDDNWQQSLRBX-FPMFFAJLSA-N 1 3 240.391 1.861 20 0 BDADHO CC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662248731 412046780 /nfs/dbraw/zinc/04/67/80/412046780.db2.gz CICMBSXLDBSOPB-GFCCVEGCSA-N 1 3 224.348 1.239 20 0 BDADHO CN(CCO[C@@H]1CC1(F)F)CC(C)(C)C[NH3+] ZINC000662248265 412046890 /nfs/dbraw/zinc/04/68/90/412046890.db2.gz XNRPPQINDKVMJA-SECBINFHSA-N 1 3 236.306 1.327 20 0 BDADHO CCC[NH+](CCC)C[C@@H]1CCC2(CNC2)O1 ZINC000662248697 412047524 /nfs/dbraw/zinc/04/75/24/412047524.db2.gz BDTOKCGSEKPOTF-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253475 412048877 /nfs/dbraw/zinc/04/88/77/412048877.db2.gz WGZCHNKODHACDB-QWRGUYRKSA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253475 412048879 /nfs/dbraw/zinc/04/88/79/412048879.db2.gz WGZCHNKODHACDB-QWRGUYRKSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662254665 412049460 /nfs/dbraw/zinc/04/94/60/412049460.db2.gz SCQYDFNTPGUGDV-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662254665 412049465 /nfs/dbraw/zinc/04/94/65/412049465.db2.gz SCQYDFNTPGUGDV-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256601 412050772 /nfs/dbraw/zinc/05/07/72/412050772.db2.gz WSXCCYYUKDPVSW-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256601 412050774 /nfs/dbraw/zinc/05/07/74/412050774.db2.gz WSXCCYYUKDPVSW-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264248 412055565 /nfs/dbraw/zinc/05/55/65/412055565.db2.gz HADRUDYXUPLSLZ-NAWOPXAZSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264248 412055568 /nfs/dbraw/zinc/05/55/68/412055568.db2.gz HADRUDYXUPLSLZ-NAWOPXAZSA-N 1 3 208.349 1.702 20 0 BDADHO Cc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ncn1 ZINC000662272252 412062380 /nfs/dbraw/zinc/06/23/80/412062380.db2.gz CZRVYHGBHPKHPR-BETUJISGSA-N 1 3 246.358 1.216 20 0 BDADHO Cc1nocc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274253 412064814 /nfs/dbraw/zinc/06/48/14/412064814.db2.gz SJONQBIKAPVXBY-CHWSQXEVSA-N 1 3 249.358 1.805 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279834 412070828 /nfs/dbraw/zinc/07/08/28/412070828.db2.gz MEYDOFZTHBUCHI-JHJVBQTASA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279834 412070831 /nfs/dbraw/zinc/07/08/31/412070831.db2.gz MEYDOFZTHBUCHI-JHJVBQTASA-N 1 3 238.375 1.770 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN)OC ZINC000662285310 412076824 /nfs/dbraw/zinc/07/68/24/412076824.db2.gz JJFNYFSUVPYCRL-AGIUHOORSA-N 1 3 244.379 1.097 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@@H](C)[C@@H]1CCN)OC ZINC000662285310 412076829 /nfs/dbraw/zinc/07/68/29/412076829.db2.gz JJFNYFSUVPYCRL-AGIUHOORSA-N 1 3 244.379 1.097 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CCNC[C@@H]1C ZINC000125868901 171207096 /nfs/dbraw/zinc/20/70/96/171207096.db2.gz OIGUXPYOKPXHDW-NHCYSSNCSA-N 1 3 210.321 1.243 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000125868901 171207097 /nfs/dbraw/zinc/20/70/97/171207097.db2.gz OIGUXPYOKPXHDW-NHCYSSNCSA-N 1 3 210.321 1.243 20 0 BDADHO CC[C@@]1(C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368368919 171207101 /nfs/dbraw/zinc/20/71/01/171207101.db2.gz FGVDSFPJWGSFOX-GUDRVLHUSA-N 1 3 228.311 1.239 20 0 BDADHO C[C@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282273 412072223 /nfs/dbraw/zinc/07/22/23/412072223.db2.gz OFYUBMMEGROGOZ-NWDGAFQWSA-N 1 3 247.342 1.253 20 0 BDADHO CC[C@H](C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304631523 171283350 /nfs/dbraw/zinc/28/33/50/171283350.db2.gz VNLNKVRYLZYWCN-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H](C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304631523 171283351 /nfs/dbraw/zinc/28/33/51/171283351.db2.gz VNLNKVRYLZYWCN-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[NH2+]CC1 ZINC000129159302 171322938 /nfs/dbraw/zinc/32/29/38/171322938.db2.gz FHPSHTVIXQJRPV-NWDGAFQWSA-N 1 3 241.379 1.023 20 0 BDADHO CCO[C@@H]1C[N@H+](CC2CC=CC2)C[C@H]1CN ZINC000662286130 412078368 /nfs/dbraw/zinc/07/83/68/412078368.db2.gz ONILOOKWLSYWCO-CHWSQXEVSA-N 1 3 224.348 1.248 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1CN ZINC000662286130 412078371 /nfs/dbraw/zinc/07/83/71/412078371.db2.gz ONILOOKWLSYWCO-CHWSQXEVSA-N 1 3 224.348 1.248 20 0 BDADHO C[NH2+]CCCN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328217 412104646 /nfs/dbraw/zinc/10/46/46/412104646.db2.gz ZNCHTGALNKAHHN-OKILXGFUSA-N 1 3 238.375 1.489 20 0 BDADHO CNCCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328217 412104649 /nfs/dbraw/zinc/10/46/49/412104649.db2.gz ZNCHTGALNKAHHN-OKILXGFUSA-N 1 3 238.375 1.489 20 0 BDADHO CNCCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328217 412104652 /nfs/dbraw/zinc/10/46/52/412104652.db2.gz ZNCHTGALNKAHHN-OKILXGFUSA-N 1 3 238.375 1.489 20 0 BDADHO Cc1ccncc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000665238769 412178088 /nfs/dbraw/zinc/17/80/88/412178088.db2.gz DAXDBSVDUJGMQZ-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000665238769 412178093 /nfs/dbraw/zinc/17/80/93/412178093.db2.gz DAXDBSVDUJGMQZ-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCO[C@@H]1CC1(F)F ZINC000665244655 412188754 /nfs/dbraw/zinc/18/87/54/412188754.db2.gz SORPDPSRNZCUCT-GMTAPVOTSA-N 1 3 248.317 1.388 20 0 BDADHO COC[C@H](NCC1([NH3+])CCCC1)C(C)C ZINC000665248950 412195172 /nfs/dbraw/zinc/19/51/72/412195172.db2.gz GJUAOZSMZUQNFQ-NSHDSACASA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662552892 412215226 /nfs/dbraw/zinc/21/52/26/412215226.db2.gz UZORQYZPQKSTQM-GWCFXTLKSA-N 1 3 247.342 1.075 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000665261867 412204850 /nfs/dbraw/zinc/20/48/50/412204850.db2.gz NIPJNDAIYSSCEH-ICCXJUOJSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000665266735 412210826 /nfs/dbraw/zinc/21/08/26/412210826.db2.gz IKGLKMSVBMAEME-YUTCNCBUSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H](N[C@@H](C)CN1CCC(C)CC1)C1C[NH2+]C1 ZINC000665272445 412213185 /nfs/dbraw/zinc/21/31/85/412213185.db2.gz FOKNHGMUDPUNGJ-QWHCGFSZSA-N 1 3 239.407 1.304 20 0 BDADHO C[C@@H](CN1CCC(C)CC1)NC1CC[NH2+]CC1 ZINC000665272879 412213719 /nfs/dbraw/zinc/21/37/19/412213719.db2.gz MWNLAZFETUWLKA-ZDUSSCGKSA-N 1 3 239.407 1.448 20 0 BDADHO CC[C@H]([NH2+]C)C(=O)Nc1cccc2c1CCNC2 ZINC000662416102 412158066 /nfs/dbraw/zinc/15/80/66/412158066.db2.gz SXOMRVHQZDRHSQ-LBPRGKRZSA-N 1 3 247.342 1.269 20 0 BDADHO CC(C)([NH3+])CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662424459 412163968 /nfs/dbraw/zinc/16/39/68/412163968.db2.gz TZNBYMUHVFYCQC-GFCCVEGCSA-N 1 3 247.342 1.075 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000665229948 412167315 /nfs/dbraw/zinc/16/73/15/412167315.db2.gz GUNIXHBYHXBVEY-HHTDUIENSA-N 1 3 240.391 1.909 20 0 BDADHO Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000665232473 412170183 /nfs/dbraw/zinc/17/01/83/412170183.db2.gz NOISSLRWLYRPEE-NWDGAFQWSA-N 1 3 205.305 1.238 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccn1 ZINC000665232950 412172194 /nfs/dbraw/zinc/17/21/94/412172194.db2.gz YHDOLIWAEJBFTI-BZPMIXESSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000665232950 412172196 /nfs/dbraw/zinc/17/21/96/412172196.db2.gz YHDOLIWAEJBFTI-BZPMIXESSA-N 1 3 233.359 1.902 20 0 BDADHO CCCN1CC[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274246 412216715 /nfs/dbraw/zinc/21/67/15/412216715.db2.gz MGQZTSFFPDPSFV-MELADBBJSA-N 1 3 239.407 1.448 20 0 BDADHO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cnccc2N)C1 ZINC000665274826 412217662 /nfs/dbraw/zinc/21/76/62/412217662.db2.gz ZEVDSAZJTFQCQG-NWDGAFQWSA-N 1 3 248.374 1.629 20 0 BDADHO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2cnccc2N)C1 ZINC000665274826 412217666 /nfs/dbraw/zinc/21/76/66/412217666.db2.gz ZEVDSAZJTFQCQG-NWDGAFQWSA-N 1 3 248.374 1.629 20 0 BDADHO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cnccc2N)C1 ZINC000665274826 412217670 /nfs/dbraw/zinc/21/76/70/412217670.db2.gz ZEVDSAZJTFQCQG-NWDGAFQWSA-N 1 3 248.374 1.629 20 0 BDADHO CC[C@@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCOC1 ZINC000665278240 412221536 /nfs/dbraw/zinc/22/15/36/412221536.db2.gz YZIXEHDRGRWSAC-CMOBGSAGSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000665278240 412221539 /nfs/dbraw/zinc/22/15/39/412221539.db2.gz YZIXEHDRGRWSAC-CMOBGSAGSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCOC1 ZINC000665278242 412221887 /nfs/dbraw/zinc/22/18/87/412221887.db2.gz YZIXEHDRGRWSAC-QZQSVVMZSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000665278242 412221891 /nfs/dbraw/zinc/22/18/91/412221891.db2.gz YZIXEHDRGRWSAC-QZQSVVMZSA-N 1 3 224.348 1.143 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000665282406 412227798 /nfs/dbraw/zinc/22/77/98/412227798.db2.gz XPEONEGTZDPBAC-DDHJBXDOSA-N 1 3 214.353 1.515 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H]1CCCC12CCOCC2 ZINC000665297488 412245158 /nfs/dbraw/zinc/24/51/58/412245158.db2.gz HAHDOXWUXXAMDH-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(CN)nc1C ZINC000665299508 412248700 /nfs/dbraw/zinc/24/87/00/412248700.db2.gz OKJTXLNRHCPACW-UWVGGRQHSA-N 1 3 236.363 1.107 20 0 BDADHO C[NH2+]C[C@H](C)NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000662954273 412353779 /nfs/dbraw/zinc/35/37/79/412353779.db2.gz UHJNHNDLHHMZOR-DMDPSCGWSA-N 1 3 249.358 1.047 20 0 BDADHO CCn1cc(CN2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000111612347 172161746 /nfs/dbraw/zinc/16/17/46/172161746.db2.gz UELLOLBFUHDLTO-LLVKDONJSA-N 1 3 236.363 1.462 20 0 BDADHO CN(C(=O)C[C@H](N)c1ccccc1)C1CC([NH3+])C1 ZINC000294966065 172313810 /nfs/dbraw/zinc/31/38/10/172313810.db2.gz XAXZWAPDJQQOPU-BPCQOVAHSA-N 1 3 247.342 1.025 20 0 BDADHO CN1CCC[C@@H]([NH2+]Cc2cncs2)CC1 ZINC000076674571 173021173 /nfs/dbraw/zinc/02/11/73/173021173.db2.gz HGSORMXJEXEQQP-SNVBAGLBSA-N 1 3 225.361 1.717 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000336712393 173036114 /nfs/dbraw/zinc/03/61/14/173036114.db2.gz RWSBANOOBFVENB-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@@H]21 ZINC000336712393 173036117 /nfs/dbraw/zinc/03/61/17/173036117.db2.gz RWSBANOOBFVENB-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN(CCCCO)C1CC1 ZINC000305717269 173049582 /nfs/dbraw/zinc/04/95/82/173049582.db2.gz HZWQTOQGDCFKND-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN(CCCCO)C1CC1 ZINC000305717269 173049584 /nfs/dbraw/zinc/04/95/84/173049584.db2.gz HZWQTOQGDCFKND-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704666 173050627 /nfs/dbraw/zinc/05/06/27/173050627.db2.gz XQIIPCANZNQTKP-STQMWFEESA-N 1 3 242.407 1.810 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@@H](CO)C(C)(C)C ZINC000305704666 173050629 /nfs/dbraw/zinc/05/06/29/173050629.db2.gz XQIIPCANZNQTKP-STQMWFEESA-N 1 3 242.407 1.810 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](CO)C1 ZINC000305635257 173051425 /nfs/dbraw/zinc/05/14/25/173051425.db2.gz GVXPOWVMAYHYKU-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](CO)C1 ZINC000305635257 173051427 /nfs/dbraw/zinc/05/14/27/173051427.db2.gz GVXPOWVMAYHYKU-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000227342838 173059885 /nfs/dbraw/zinc/05/98/85/173059885.db2.gz MIVWTGCJAXXQQG-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000227342838 173059886 /nfs/dbraw/zinc/05/98/86/173059886.db2.gz MIVWTGCJAXXQQG-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCn2cnnc2C2CC2)C1 ZINC000568249463 322930618 /nfs/dbraw/zinc/93/06/18/322930618.db2.gz QYKLETMECXIOCC-NWDGAFQWSA-N 1 3 249.362 1.015 20 0 BDADHO C[N@@H+]1CC[C@H](NCCN2CCC2)[C@H]2CCC[C@@H]21 ZINC000353640282 173152217 /nfs/dbraw/zinc/15/22/17/173152217.db2.gz BYDQQCAFTLHADS-RDBSUJKOSA-N 1 3 237.391 1.155 20 0 BDADHO C[N@H+]1CC[C@H](NCCN2CCC2)[C@H]2CCC[C@@H]21 ZINC000353640282 173152221 /nfs/dbraw/zinc/15/22/21/173152221.db2.gz BYDQQCAFTLHADS-RDBSUJKOSA-N 1 3 237.391 1.155 20 0 BDADHO Cn1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292866984 173168268 /nfs/dbraw/zinc/16/82/68/173168268.db2.gz VXJWUKPGCIQINF-AWEZNQCLSA-N 1 3 233.359 1.553 20 0 BDADHO Cn1ccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292866984 173168269 /nfs/dbraw/zinc/16/82/69/173168269.db2.gz VXJWUKPGCIQINF-AWEZNQCLSA-N 1 3 233.359 1.553 20 0 BDADHO CNC(=O)C(C)(C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331978373 173220260 /nfs/dbraw/zinc/22/02/60/173220260.db2.gz MDSYIZVRTQUHON-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO C[NH2+]CCC(=O)N(CCN(C)C)c1ccccc1 ZINC000262431992 173339503 /nfs/dbraw/zinc/33/95/03/173339503.db2.gz TWXLUTRUYPGGNS-UHFFFAOYSA-N 1 3 249.358 1.191 20 0 BDADHO C[NH2+]CCC(=O)Nc1ccc(C)cc1CN(C)C ZINC000285834736 173342233 /nfs/dbraw/zinc/34/22/33/173342233.db2.gz VOEQXWHLMLJFTA-UHFFFAOYSA-N 1 3 249.358 1.605 20 0 BDADHO C[NH2+]CCCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000295313654 173345023 /nfs/dbraw/zinc/34/50/23/173345023.db2.gz YPHQLHVUCFVHER-UHFFFAOYSA-N 1 3 247.342 1.270 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000295257322 173363599 /nfs/dbraw/zinc/36/35/99/173363599.db2.gz UURVLRFLMVTMED-SNVBAGLBSA-N 1 3 247.342 1.126 20 0 BDADHO COCC(C)(C)NC[C@@H]1CCC[NH2+]C1 ZINC000125340817 174082534 /nfs/dbraw/zinc/08/25/34/174082534.db2.gz DBXILWWWLNXTKZ-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO COCC(C)(C)[NH2+]C[C@@H]1CCCNC1 ZINC000125340817 174082535 /nfs/dbraw/zinc/08/25/35/174082535.db2.gz DBXILWWWLNXTKZ-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO COCC1(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000356363524 174111463 /nfs/dbraw/zinc/11/14/63/174111463.db2.gz QXVNFGQFXADHDQ-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO COCC1(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000356363524 174111465 /nfs/dbraw/zinc/11/14/65/174111465.db2.gz QXVNFGQFXADHDQ-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO COCC1([NH2+][C@@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000356363524 174111467 /nfs/dbraw/zinc/11/14/67/174111467.db2.gz QXVNFGQFXADHDQ-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H]1CCNC1 ZINC000234684927 174143963 /nfs/dbraw/zinc/14/39/63/174143963.db2.gz YUFWWKCSLIAOHA-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000234889733 174155889 /nfs/dbraw/zinc/15/58/89/174155889.db2.gz PQXAZYAFSFPBTG-NWDGAFQWSA-N 1 3 226.364 1.520 20 0 BDADHO COCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567044 174177727 /nfs/dbraw/zinc/17/77/27/174177727.db2.gz CFOIPCVBCHVDLM-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO COCCCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000044659200 174195093 /nfs/dbraw/zinc/19/50/93/174195093.db2.gz VICKWRAWTYSDCB-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO COCCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000082666895 174220198 /nfs/dbraw/zinc/22/01/98/174220198.db2.gz CXRMSEUIIWKVGU-NSHDSACASA-N 1 3 200.326 1.097 20 0 BDADHO COCCC[N@H+](C)[C@H]1CCCNCC1 ZINC000082666895 174220199 /nfs/dbraw/zinc/22/01/99/174220199.db2.gz CXRMSEUIIWKVGU-NSHDSACASA-N 1 3 200.326 1.097 20 0 BDADHO COCCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000082666895 174220200 /nfs/dbraw/zinc/22/02/00/174220200.db2.gz CXRMSEUIIWKVGU-NSHDSACASA-N 1 3 200.326 1.097 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CCCOCC2)C1 ZINC000401641495 487629061 /nfs/dbraw/zinc/62/90/61/487629061.db2.gz HYXIGUYALPHDHE-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CCCOCC2)C1 ZINC000401641494 487629023 /nfs/dbraw/zinc/62/90/23/487629023.db2.gz HYXIGUYALPHDHE-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO COc1ccc(CC[N@H+](C)C2CCNCC2)cc1 ZINC000036300492 175089549 /nfs/dbraw/zinc/08/95/49/175089549.db2.gz SCHHPTXYIQLCDN-UHFFFAOYSA-N 1 3 248.370 1.922 20 0 BDADHO COc1ccc(CC[N@@H+](C)C2CCNCC2)cc1 ZINC000036300492 175089551 /nfs/dbraw/zinc/08/95/51/175089551.db2.gz SCHHPTXYIQLCDN-UHFFFAOYSA-N 1 3 248.370 1.922 20 0 BDADHO COc1ccc(CC[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000107787457 175092006 /nfs/dbraw/zinc/09/20/06/175092006.db2.gz RYXUSNOHUPXYDD-CQSZACIVSA-N 1 3 248.370 1.827 20 0 BDADHO COc1ccc(CCNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000107787457 175092010 /nfs/dbraw/zinc/09/20/10/175092010.db2.gz RYXUSNOHUPXYDD-CQSZACIVSA-N 1 3 248.370 1.827 20 0 BDADHO COc1ccccc1C[C@H](C)NCC[NH3+] ZINC000037712944 175332507 /nfs/dbraw/zinc/33/25/07/175332507.db2.gz GYRBCMTYVGBBNC-JTQLQIEISA-N 1 3 208.305 1.175 20 0 BDADHO COc1ccccc1C[C@H](C)[NH2+]C1CCNCC1 ZINC000038041531 175333118 /nfs/dbraw/zinc/33/31/18/175333118.db2.gz OCHUJNTXFZBNBV-LBPRGKRZSA-N 1 3 248.370 1.968 20 0 BDADHO COc1ccccc1C[C@H](C)NC1CC[NH2+]CC1 ZINC000038041531 175333120 /nfs/dbraw/zinc/33/31/20/175333120.db2.gz OCHUJNTXFZBNBV-LBPRGKRZSA-N 1 3 248.370 1.968 20 0 BDADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCN1CCNCC1 ZINC000037482555 176115832 /nfs/dbraw/zinc/11/58/32/176115832.db2.gz VNNOEILARNRWPI-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000132015338 176173334 /nfs/dbraw/zinc/17/33/34/176173334.db2.gz LIIJGHWEHZTNSE-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCSCC1 ZINC000335160051 176185349 /nfs/dbraw/zinc/18/53/49/176185349.db2.gz ZFHFNWOBLVXPBY-PWSUYJOCSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000051918900 176293735 /nfs/dbraw/zinc/29/37/35/176293735.db2.gz PRXNNBAHHAVDAE-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251694899 176294502 /nfs/dbraw/zinc/29/45/02/176294502.db2.gz IMXDXAUKJSDLQD-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000051919010 176294821 /nfs/dbraw/zinc/29/48/21/176294821.db2.gz IJCXMGYUXOSRLV-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1ccccc1 ZINC000073655447 176327646 /nfs/dbraw/zinc/32/76/46/176327646.db2.gz CLPZCFXGDJOALG-DGCLKSJQSA-N 1 3 204.317 1.774 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235381677 176369454 /nfs/dbraw/zinc/36/94/54/176369454.db2.gz QPXMERORNCXHHA-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@@H](CN2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235699308 177324372 /nfs/dbraw/zinc/32/43/72/177324372.db2.gz QPXMERORNCXHHA-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c[nH]nc21 ZINC000334143248 177324628 /nfs/dbraw/zinc/32/46/28/177324628.db2.gz RAPFSMSVVRMCSR-QWRGUYRKSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)N(C)C ZINC000036908114 177330929 /nfs/dbraw/zinc/33/09/29/177330929.db2.gz DZOSUHWCFLDIIK-FRRDWIJNSA-N 1 3 241.423 1.645 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccsc1 ZINC000126717276 177361123 /nfs/dbraw/zinc/36/11/23/177361123.db2.gz GYPUCNSCKUJHPE-GXSJLCMTSA-N 1 3 210.346 1.917 20 0 BDADHO CC1(CN2CCCO[C@@H](C[NH3+])C2)CCC1 ZINC000313349091 487640511 /nfs/dbraw/zinc/64/05/11/487640511.db2.gz UWNDDIDGDVEABE-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401918394 226363023 /nfs/dbraw/zinc/36/30/23/226363023.db2.gz CFDDFMMIXBRNHD-AGIUHOORSA-N 1 3 226.364 1.520 20 0 BDADHO CN(CCCc1cncn1C)[C@@H](C[NH3+])C1CC1 ZINC000314097439 487659745 /nfs/dbraw/zinc/65/97/45/487659745.db2.gz BHUKLFZUTWXVEV-ZDUSSCGKSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCc1cncn1C ZINC000314899753 487669797 /nfs/dbraw/zinc/66/97/97/487669797.db2.gz NFIBPAIYIDAVCX-NEPJUHHUSA-N 1 3 236.363 1.164 20 0 BDADHO Cc1cccc(NCCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000568900760 322941732 /nfs/dbraw/zinc/94/17/32/322941732.db2.gz DYBRRDSGQUVKNU-QWHCGFSZSA-N 1 3 248.374 1.661 20 0 BDADHO Cc1cc(C)c(CN[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000396973366 262829403 /nfs/dbraw/zinc/82/94/03/262829403.db2.gz IFPUXHSPNCWFIP-GXTWGEPZSA-N 1 3 233.359 1.915 20 0 BDADHO COC(=O)[C@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614887 974886746 /nfs/dbraw/zinc/88/67/46/974886746.db2.gz ZMWHDIGSBUNAKU-FIQHERPVSA-N 1 3 240.347 1.188 20 0 BDADHO CC[C@H]1CN(CCCOC)CC[C@H]1[NH3+] ZINC000251522777 487764478 /nfs/dbraw/zinc/76/44/78/487764478.db2.gz AAOVAPLQARYOGN-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000223868558 487798334 /nfs/dbraw/zinc/79/83/34/487798334.db2.gz PILAFLIPZYKKBG-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO CCN(CC)CCC[N@H+](CC(C)(C)O)C1CC1 ZINC000191840699 487800096 /nfs/dbraw/zinc/80/00/96/487800096.db2.gz SUOBDYLEVXZBNQ-UHFFFAOYSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+](CC(C)(C)O)C1CC1 ZINC000191840699 487800101 /nfs/dbraw/zinc/80/01/01/487800101.db2.gz SUOBDYLEVXZBNQ-UHFFFAOYSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC000309238385 487801225 /nfs/dbraw/zinc/80/12/25/487801225.db2.gz KAAUKSSVCYQVQM-CYBMUJFWSA-N 1 3 228.380 1.419 20 0 BDADHO CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC000309238385 487801231 /nfs/dbraw/zinc/80/12/31/487801231.db2.gz KAAUKSSVCYQVQM-CYBMUJFWSA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251862942 487803906 /nfs/dbraw/zinc/80/39/06/487803906.db2.gz SZTMSVLJDDDWEF-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1N ZINC000251862942 487803908 /nfs/dbraw/zinc/80/39/08/487803908.db2.gz SZTMSVLJDDDWEF-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@@H]1N ZINC000251862942 487803916 /nfs/dbraw/zinc/80/39/16/487803916.db2.gz SZTMSVLJDDDWEF-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCCN ZINC000414702204 487818543 /nfs/dbraw/zinc/81/85/43/487818543.db2.gz HTRCEOKNODABCM-RYUDHWBXSA-N 1 3 228.380 1.861 20 0 BDADHO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCN ZINC000414702204 487818548 /nfs/dbraw/zinc/81/85/48/487818548.db2.gz HTRCEOKNODABCM-RYUDHWBXSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCCN)C1 ZINC000414757893 487821485 /nfs/dbraw/zinc/82/14/85/487821485.db2.gz UEVGWICEVMTCLN-RFGFWPKPSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCCN)C1 ZINC000414757893 487821491 /nfs/dbraw/zinc/82/14/91/487821491.db2.gz UEVGWICEVMTCLN-RFGFWPKPSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@@H](CN)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666826291 487887058 /nfs/dbraw/zinc/88/70/58/487887058.db2.gz UEQZNVLCUXMYKR-NWDGAFQWSA-N 1 3 234.343 1.737 20 0 BDADHO [NH3+][C@H](CNC[C@@H]1CCOc2ccccc21)C1CC1 ZINC000666834208 487888256 /nfs/dbraw/zinc/88/82/56/487888256.db2.gz CBKJBQOCVAKMFF-GXTWGEPZSA-N 1 3 246.354 1.880 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666910460 487901837 /nfs/dbraw/zinc/90/18/37/487901837.db2.gz PIOUCTFERUHDCM-GFCCVEGCSA-N 1 3 245.330 1.094 20 0 BDADHO COc1ccc(CN(C)CC2CC[NH2+]CC2)cn1 ZINC000157124413 487906324 /nfs/dbraw/zinc/90/63/24/487906324.db2.gz WFOYLPKWNTXWQR-UHFFFAOYSA-N 1 3 249.358 1.522 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)[C@H](C)C1 ZINC000666947806 487912246 /nfs/dbraw/zinc/91/22/46/487912246.db2.gz IRJSNLRGAOPMBI-MROQNXINSA-N 1 3 243.370 1.006 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995320 487924658 /nfs/dbraw/zinc/92/46/58/487924658.db2.gz KBFDSPZHHDZQSL-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995320 487924662 /nfs/dbraw/zinc/92/46/62/487924662.db2.gz KBFDSPZHHDZQSL-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO FC1(F)C[C@]12CCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000652364257 487933050 /nfs/dbraw/zinc/93/30/50/487933050.db2.gz BMYWDYSCIZAHLC-ZJUUUORDSA-N 1 3 216.275 1.327 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000565224941 323034448 /nfs/dbraw/zinc/03/44/48/323034448.db2.gz ATVVGTFGULODFO-NWDGAFQWSA-N 1 3 228.380 1.787 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565224941 323034449 /nfs/dbraw/zinc/03/44/49/323034449.db2.gz ATVVGTFGULODFO-NWDGAFQWSA-N 1 3 228.380 1.787 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562959627 323035310 /nfs/dbraw/zinc/03/53/10/323035310.db2.gz NIRFNABTEHMQMD-DEQVHRJGSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@H]1CCCNC1 ZINC000562959627 323035311 /nfs/dbraw/zinc/03/53/11/323035311.db2.gz NIRFNABTEHMQMD-DEQVHRJGSA-N 1 3 238.375 1.532 20 0 BDADHO CC[C@H](O)CNC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000569837692 323042113 /nfs/dbraw/zinc/04/21/13/323042113.db2.gz UFEXGGTVMBMSQI-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@H](O)CNC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000569837692 323042114 /nfs/dbraw/zinc/04/21/14/323042114.db2.gz UFEXGGTVMBMSQI-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@H]1CCN(CC(C)C)C1 ZINC000569837692 323042115 /nfs/dbraw/zinc/04/21/15/323042115.db2.gz UFEXGGTVMBMSQI-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000563135047 323094675 /nfs/dbraw/zinc/09/46/75/323094675.db2.gz DECLVUKOMZXHLD-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000305630850 323171207 /nfs/dbraw/zinc/17/12/07/323171207.db2.gz MLCMERUGQGCOQA-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000305630850 323171208 /nfs/dbraw/zinc/17/12/08/323171208.db2.gz MLCMERUGQGCOQA-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818072 323178895 /nfs/dbraw/zinc/17/88/95/323178895.db2.gz JABSSSYPGHBWEX-BXKDBHETSA-N 1 3 208.349 1.763 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000395158487 323189354 /nfs/dbraw/zinc/18/93/54/323189354.db2.gz MRQMNAQRAACVMK-FDYHWXHSSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000395158487 323189355 /nfs/dbraw/zinc/18/93/55/323189355.db2.gz MRQMNAQRAACVMK-FDYHWXHSSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000395158487 323189356 /nfs/dbraw/zinc/18/93/56/323189356.db2.gz MRQMNAQRAACVMK-FDYHWXHSSA-N 1 3 226.364 1.484 20 0 BDADHO CN(C)Cc1cccc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000399258277 323202286 /nfs/dbraw/zinc/20/22/86/323202286.db2.gz RWWPWVKJOOSEOD-UHFFFAOYSA-N 1 3 247.342 1.296 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000530219378 323218067 /nfs/dbraw/zinc/21/80/67/323218067.db2.gz JCFYTUCHFYXBLS-STQMWFEESA-N 1 3 249.358 1.492 20 0 BDADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cn1 ZINC000530219378 323218070 /nfs/dbraw/zinc/21/80/70/323218070.db2.gz JCFYTUCHFYXBLS-STQMWFEESA-N 1 3 249.358 1.492 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)C[C@H](C)O1 ZINC000571852058 323493598 /nfs/dbraw/zinc/49/35/98/323493598.db2.gz IUSZZZWRXHIJKP-ITGUQSILSA-N 1 3 244.379 1.110 20 0 BDADHO c1cc(N2CCC([NH2+]CC3COC3)CC2)ccn1 ZINC000529675037 324375781 /nfs/dbraw/zinc/37/57/81/324375781.db2.gz OOIGRAJRKZXTEI-UHFFFAOYSA-N 1 3 247.342 1.286 20 0 BDADHO [NH3+]CC1(CNc2ccc3c(c2)OCCNC3)CC1 ZINC000530249000 324558774 /nfs/dbraw/zinc/55/87/74/324558774.db2.gz SGHRNJQEJDWFFN-UHFFFAOYSA-N 1 3 247.342 1.319 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000130233721 325026030 /nfs/dbraw/zinc/02/60/30/325026030.db2.gz VAHAWEQVYJWPDO-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130233721 325026034 /nfs/dbraw/zinc/02/60/34/325026034.db2.gz VAHAWEQVYJWPDO-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130233721 325026035 /nfs/dbraw/zinc/02/60/35/325026035.db2.gz VAHAWEQVYJWPDO-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO CCOCCC[NH+]1CCC(N(C)C)CC1 ZINC000130230547 325027072 /nfs/dbraw/zinc/02/70/72/325027072.db2.gz QPWASNQCMCTUAY-UHFFFAOYSA-N 1 3 214.353 1.439 20 0 BDADHO CCCCNC(=O)CCN1CC[C@H]([NH3+])C[C@H]1C ZINC000566411893 326041215 /nfs/dbraw/zinc/04/12/15/326041215.db2.gz MSQJWVGNFLCSCG-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052706 326217714 /nfs/dbraw/zinc/21/77/14/326217714.db2.gz WCDHLTYOIBGRKE-RWMBFGLXSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052706 326217715 /nfs/dbraw/zinc/21/77/15/326217715.db2.gz WCDHLTYOIBGRKE-RWMBFGLXSA-N 1 3 225.380 1.153 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000567579848 326221471 /nfs/dbraw/zinc/22/14/71/326221471.db2.gz MDKYKXWQTYPILZ-UPJWGTAASA-N 1 3 238.375 1.533 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000567579848 326221473 /nfs/dbraw/zinc/22/14/73/326221473.db2.gz MDKYKXWQTYPILZ-UPJWGTAASA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1NCCCC1(C)C ZINC000567925224 326284306 /nfs/dbraw/zinc/28/43/06/326284306.db2.gz GFUPKAUBUADJBY-HBNTYKKESA-N 1 3 241.379 1.007 20 0 BDADHO O[C@H](CNC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568243315 326333176 /nfs/dbraw/zinc/33/31/76/326333176.db2.gz UZWFWASSZJKQDG-CQSZACIVSA-N 1 3 238.375 1.221 20 0 BDADHO Cc1cnc(CCN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000568248443 326334387 /nfs/dbraw/zinc/33/43/87/326334387.db2.gz QQJKUNQMSSJJMN-RYUDHWBXSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCC[C@H](N)C2)cn1 ZINC000568248443 326334388 /nfs/dbraw/zinc/33/43/88/326334388.db2.gz QQJKUNQMSSJJMN-RYUDHWBXSA-N 1 3 234.347 1.187 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000568261432 326336883 /nfs/dbraw/zinc/33/68/83/326336883.db2.gz UMEMEEMSPWFOBP-QWHCGFSZSA-N 1 3 226.364 1.172 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000568261432 326336884 /nfs/dbraw/zinc/33/68/84/326336884.db2.gz UMEMEEMSPWFOBP-QWHCGFSZSA-N 1 3 226.364 1.172 20 0 BDADHO [NH3+]Cc1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000568266921 326337394 /nfs/dbraw/zinc/33/73/94/326337394.db2.gz SUPOELVOTMAKIV-LLVKDONJSA-N 1 3 244.298 1.620 20 0 BDADHO C(C1CC1)[NH+]1CCC(N[C@@H]2CCCOC2)CC1 ZINC000568321103 326344521 /nfs/dbraw/zinc/34/45/21/326344521.db2.gz AEEFSFQDXGAVOM-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC000568392643 326353513 /nfs/dbraw/zinc/35/35/13/326353513.db2.gz SJANUOYOFBCOHD-UHFFFAOYSA-N 1 3 249.358 1.088 20 0 BDADHO CCN1CCN(CC[NH+]2CCCCC2)C[C@@H]1C ZINC000677197238 488002941 /nfs/dbraw/zinc/00/29/41/488002941.db2.gz YAUISLOUOPQOLJ-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO Cc1cc(F)ccc1CC[NH2+]CCCN ZINC000135310984 488025852 /nfs/dbraw/zinc/02/58/52/488025852.db2.gz ZINQAAAUMNKVPB-UHFFFAOYSA-N 1 3 210.296 1.615 20 0 BDADHO Cc1cc(F)ccc1CCNCCC[NH3+] ZINC000135310984 488025855 /nfs/dbraw/zinc/02/58/55/488025855.db2.gz ZINQAAAUMNKVPB-UHFFFAOYSA-N 1 3 210.296 1.615 20 0 BDADHO c1ccc(CN2CCC(NC3C[NH2+]C3)CC2)cc1 ZINC000091395127 488049017 /nfs/dbraw/zinc/04/90/17/488049017.db2.gz ZAGZIPARHWMENN-UHFFFAOYSA-N 1 3 245.370 1.212 20 0 BDADHO Cc1cc(N2CCN(CCO)C(C)(C)C2)cc[nH+]1 ZINC000682918186 488064060 /nfs/dbraw/zinc/06/40/60/488064060.db2.gz CBRVPMGOXBTTOD-UHFFFAOYSA-N 1 3 249.358 1.283 20 0 BDADHO Cc1cnc(CCN[C@H](C)C2C[NH2+]C2)c(C)c1 ZINC000656200687 488067163 /nfs/dbraw/zinc/06/71/63/488067163.db2.gz PTLPLCFSHIOKQJ-GFCCVEGCSA-N 1 3 233.359 1.438 20 0 BDADHO Cc1cnc(CC[NH2+][C@H](C)C2CNC2)c(C)c1 ZINC000656200687 488067165 /nfs/dbraw/zinc/06/71/65/488067165.db2.gz PTLPLCFSHIOKQJ-GFCCVEGCSA-N 1 3 233.359 1.438 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226271830 488083756 /nfs/dbraw/zinc/08/37/56/488083756.db2.gz PTIUQMLIXIWWRY-RNJOBUHISA-N 1 3 224.348 1.116 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226271830 488083765 /nfs/dbraw/zinc/08/37/65/488083765.db2.gz PTIUQMLIXIWWRY-RNJOBUHISA-N 1 3 224.348 1.116 20 0 BDADHO CCCN1CC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000389715083 488108685 /nfs/dbraw/zinc/10/86/85/488108685.db2.gz GFTCVLJAUVTYNZ-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)(C(=O)NCCC[NH3+])[C@@H](N)c1ccccc1 ZINC000417814580 488118154 /nfs/dbraw/zinc/11/81/54/488118154.db2.gz QPHWYXXFGQLZKQ-LBPRGKRZSA-N 1 3 249.358 1.178 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOCc1ccccc1 ZINC000309747378 487540893 /nfs/dbraw/zinc/54/08/93/487540893.db2.gz UWJHTLMVDPEMDA-HIFRSBDPSA-N 1 3 248.370 1.872 20 0 BDADHO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662257610 487493926 /nfs/dbraw/zinc/49/39/26/487493926.db2.gz DYNTWWBBJDSQHD-UTUOFQBUSA-N 1 3 224.348 1.380 20 0 BDADHO NCc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000169815605 487508211 /nfs/dbraw/zinc/50/82/11/487508211.db2.gz UHXISUYYQSFQGM-UHFFFAOYSA-N 1 3 233.315 1.083 20 0 BDADHO [NH3+]Cc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000169815786 487508372 /nfs/dbraw/zinc/50/83/72/487508372.db2.gz WLYBAARZFQXJOG-GFCCVEGCSA-N 1 3 233.315 1.226 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@H](CO)Cc2ccccc2)C1 ZINC000093216086 488140044 /nfs/dbraw/zinc/14/00/44/488140044.db2.gz FSDRREZNGRPVKW-KKUMJFAQSA-N 1 3 248.370 1.450 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC12CCOCC2 ZINC000683525951 488186527 /nfs/dbraw/zinc/18/65/27/488186527.db2.gz NKKDAKGCFBYUSG-ZDUSSCGKSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC12CCOCC2 ZINC000683525951 488186531 /nfs/dbraw/zinc/18/65/31/488186531.db2.gz NKKDAKGCFBYUSG-ZDUSSCGKSA-N 1 3 238.375 1.726 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000678081877 488192978 /nfs/dbraw/zinc/19/29/78/488192978.db2.gz GDVPCYAIGKKEQS-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000678081877 488192981 /nfs/dbraw/zinc/19/29/81/488192981.db2.gz GDVPCYAIGKKEQS-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)CCCCO)CN1CCCC1 ZINC000679333328 488340611 /nfs/dbraw/zinc/34/06/11/488340611.db2.gz JMSZZTIIVYFKMP-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CC1CC[NH+](CCCN[C@@H]2CCCOC2)CC1 ZINC000070463869 490215923 /nfs/dbraw/zinc/21/59/23/490215923.db2.gz RVOUVIBHQRGAPY-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO COCCC[NH+]1CCC(NC2CSC2)CC1 ZINC000309524648 491149968 /nfs/dbraw/zinc/14/99/68/491149968.db2.gz AYZVJSALIODQLL-UHFFFAOYSA-N 1 3 244.404 1.192 20 0 BDADHO COCCC[N@@H+]1CCC[C@]12CCCNC2 ZINC000757131198 582505744 /nfs/dbraw/zinc/50/57/44/582505744.db2.gz PPCMDNCEKNDWBP-LBPRGKRZSA-N 1 3 212.337 1.241 20 0 BDADHO COCCC[N@H+]1CCC[C@]12CCCNC2 ZINC000757131198 582505745 /nfs/dbraw/zinc/50/57/45/582505745.db2.gz PPCMDNCEKNDWBP-LBPRGKRZSA-N 1 3 212.337 1.241 20 0 BDADHO CCN(CC)CCC[N@H+](C)CC1(O)CCCC1 ZINC000178466329 535502689 /nfs/dbraw/zinc/50/26/89/535502689.db2.gz BGVQZSKXRQQESZ-UHFFFAOYSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CC1(O)CCCC1 ZINC000178466329 535502698 /nfs/dbraw/zinc/50/26/98/535502698.db2.gz BGVQZSKXRQQESZ-UHFFFAOYSA-N 1 3 242.407 1.955 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CS1 ZINC000306767020 533967149 /nfs/dbraw/zinc/96/71/49/533967149.db2.gz CBAOOTYRTNSYNR-ZNSHCXBVSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@H]1C[C@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000488336811 534021470 /nfs/dbraw/zinc/02/14/70/534021470.db2.gz IGQRTXLQWODLEP-OLZOCXBDSA-N 1 3 240.391 1.685 20 0 BDADHO CCN1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC000173364387 527884118 /nfs/dbraw/zinc/88/41/18/527884118.db2.gz ZBFONQGKCCCOEW-YPMHNXCESA-N 1 3 236.363 1.240 20 0 BDADHO CC1(C)NCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000335646742 534985049 /nfs/dbraw/zinc/98/50/49/534985049.db2.gz MILUSJLVGCIJMV-NXEZZACHSA-N 1 3 214.378 1.470 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336054874 535234867 /nfs/dbraw/zinc/23/48/67/535234867.db2.gz PCCNXHNVAAFOSY-UONOGXRCSA-N 1 3 239.407 1.258 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000261530553 535516618 /nfs/dbraw/zinc/51/66/18/535516618.db2.gz CQVGNIDIAYOOEC-CHWFTXMASA-N 1 3 214.353 1.515 20 0 BDADHO CCC[C@@](C)(CO)[NH2+]C[C@@H]1CCCNC1 ZINC000261540206 535521351 /nfs/dbraw/zinc/52/13/51/535521351.db2.gz DUKHHSHTHNUTHV-NEPJUHHUSA-N 1 3 214.353 1.127 20 0 BDADHO CCC[C@@](C)(CO)NC[C@@H]1CCC[NH2+]C1 ZINC000261540206 535521356 /nfs/dbraw/zinc/52/13/56/535521356.db2.gz DUKHHSHTHNUTHV-NEPJUHHUSA-N 1 3 214.353 1.127 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253014073 535977932 /nfs/dbraw/zinc/97/79/32/535977932.db2.gz FRZJISKFOJKXEV-REWJHTLYSA-N 1 3 240.391 1.658 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000261530962 536706858 /nfs/dbraw/zinc/70/68/58/536706858.db2.gz DQZZXKDYPCJDGX-NNYUYHANSA-N 1 3 212.337 1.271 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](C)Nc1ccncc1CO ZINC000893905098 583243058 /nfs/dbraw/zinc/24/30/58/583243058.db2.gz LVYBUXAZMMFQSM-NSHDSACASA-N 1 3 237.347 1.136 20 0 BDADHO CC(C)[N@H+](C)C[C@H](C)Nc1ccncc1CO ZINC000893905098 583243060 /nfs/dbraw/zinc/24/30/60/583243060.db2.gz LVYBUXAZMMFQSM-NSHDSACASA-N 1 3 237.347 1.136 20 0 BDADHO CC(C)[C@H](CNC(=[NH2+])N1CCC1)N1CCCC1 ZINC000848983980 582816747 /nfs/dbraw/zinc/81/67/47/582816747.db2.gz AFJSLCFUAMPKSV-LBPRGKRZSA-N 1 3 238.379 1.337 20 0 BDADHO CCCC[N@H+](C)CCNc1ccncc1CO ZINC000892491685 582897998 /nfs/dbraw/zinc/89/79/98/582897998.db2.gz FICLUWBPKVDOKR-UHFFFAOYSA-N 1 3 237.347 1.140 20 0 BDADHO CCCC[N@@H+](C)CCNc1ccncc1CO ZINC000892491685 582898001 /nfs/dbraw/zinc/89/80/01/582898001.db2.gz FICLUWBPKVDOKR-UHFFFAOYSA-N 1 3 237.347 1.140 20 0 BDADHO CCc1onc(C)c1CNCCCC[NH+](C)C ZINC000892740599 582974584 /nfs/dbraw/zinc/97/45/84/582974584.db2.gz JWOIWUGFZMZOJO-UHFFFAOYSA-N 1 3 239.363 1.977 20 0 BDADHO Cc1cc(F)ncc1C[NH2+][C@@H](C)CCN(C)C ZINC000892762690 582977852 /nfs/dbraw/zinc/97/78/52/582977852.db2.gz CVQKUUMOAWBLFS-NSHDSACASA-N 1 3 239.338 1.959 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@H](Nc2ccncc2CO)C1 ZINC000892824730 582989590 /nfs/dbraw/zinc/98/95/90/582989590.db2.gz UEDWGRUMYBICBS-STQMWFEESA-N 1 3 249.358 1.281 20 0 BDADHO Fc1cccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000843341287 583228002 /nfs/dbraw/zinc/22/80/02/583228002.db2.gz SYVKBHOJYNRDPQ-QJPTWQEYSA-N 1 3 249.333 1.698 20 0 BDADHO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccncc1CO ZINC000894476993 583469902 /nfs/dbraw/zinc/46/99/02/583469902.db2.gz VUMZSMBNYQXAOJ-LBPRGKRZSA-N 1 3 249.358 1.281 20 0 BDADHO CC(C)(C)[N@H+]1CC[C@H]1CNc1ccncc1CO ZINC000894476993 583469905 /nfs/dbraw/zinc/46/99/05/583469905.db2.gz VUMZSMBNYQXAOJ-LBPRGKRZSA-N 1 3 249.358 1.281 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@@H]2C2CC2)CC1 ZINC000894690986 583508379 /nfs/dbraw/zinc/50/83/79/583508379.db2.gz WLQWZBYXPVHIEA-CYBMUJFWSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@@H]2C2CC2)CC1 ZINC000894690986 583508381 /nfs/dbraw/zinc/50/83/81/583508381.db2.gz WLQWZBYXPVHIEA-CYBMUJFWSA-N 1 3 208.349 1.813 20 0 BDADHO CCc1ncc(CNCC2CC[NH+](C)CC2)o1 ZINC000894755331 583516178 /nfs/dbraw/zinc/51/61/78/583516178.db2.gz ZXOURQVMNCRFHQ-UHFFFAOYSA-N 1 3 237.347 1.668 20 0 BDADHO CN1CCC(C[NH+]2CC3(C2)CCOCC3)CC1 ZINC000894829881 583527205 /nfs/dbraw/zinc/52/72/05/583527205.db2.gz HCRHCVJKFPFRLL-UHFFFAOYSA-N 1 3 238.375 1.441 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895290784 583637477 /nfs/dbraw/zinc/63/74/77/583637477.db2.gz UIRXYKOOHPYNSO-QJPTWQEYSA-N 1 3 242.363 1.258 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](NCC[C@H](C)[NH+](C)C)C1 ZINC000895290784 583637479 /nfs/dbraw/zinc/63/74/79/583637479.db2.gz UIRXYKOOHPYNSO-QJPTWQEYSA-N 1 3 242.363 1.258 20 0 BDADHO C[C@@H](CC[NH2+]Cc1cccc2n[nH]cc21)N(C)C ZINC000895293180 583639429 /nfs/dbraw/zinc/63/94/29/583639429.db2.gz VSWJXFULNSGGIG-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000895386801 583663316 /nfs/dbraw/zinc/66/33/16/583663316.db2.gz YCCILGUTEXEEBY-KGLIPLIRSA-N 1 3 238.375 1.297 20 0 BDADHO CN1CCC(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000895386801 583663317 /nfs/dbraw/zinc/66/33/17/583663317.db2.gz YCCILGUTEXEEBY-KGLIPLIRSA-N 1 3 238.375 1.297 20 0 BDADHO C[C@@H](CC[NH2+]C1CC2(C1)CO[C@@H](C)C2)N(C)C ZINC000895429260 583669005 /nfs/dbraw/zinc/66/90/05/583669005.db2.gz LZWXOCKJHHMGEE-FEPKRQSRSA-N 1 3 240.391 1.874 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000883441104 583816250 /nfs/dbraw/zinc/81/62/50/583816250.db2.gz HDQVFKYVSDSDCT-YYHQMBLXSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000883441104 583816252 /nfs/dbraw/zinc/81/62/52/583816252.db2.gz HDQVFKYVSDSDCT-YYHQMBLXSA-N 1 3 238.375 1.659 20 0 BDADHO C[C@H](NC[C@@H]1C[C@H]2CCC[C@@H]2O1)C1C[NH2+]C1 ZINC000873281879 584128851 /nfs/dbraw/zinc/12/88/51/584128851.db2.gz QHEQROHBYUACRI-LFSVMHDDSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CNC1 ZINC000873281879 584128852 /nfs/dbraw/zinc/12/88/52/584128852.db2.gz QHEQROHBYUACRI-LFSVMHDDSA-N 1 3 224.348 1.142 20 0 BDADHO Cc1nccnc1[C@H](C)N[C@@H](C)CCCC[NH3+] ZINC000873296204 584129316 /nfs/dbraw/zinc/12/93/16/584129316.db2.gz CTHHSXFIWXOJJL-JQWIXIFHSA-N 1 3 236.363 1.953 20 0 BDADHO C[C@H](NC(=[NH2+])NCC(C)(C)CN(C)C)C1CC1 ZINC000899263880 584188258 /nfs/dbraw/zinc/18/82/58/584188258.db2.gz TXMQUZULIPDRSH-JTQLQIEISA-N 1 3 240.395 1.487 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCNCC(C)(C)C1)C[C@H](C)O ZINC000902326044 584560350 /nfs/dbraw/zinc/56/03/50/584560350.db2.gz BLIZVKMOGBNLRU-FRRDWIJNSA-N 1 3 242.407 1.761 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCN2CCCC2)C1 ZINC000902326671 584560770 /nfs/dbraw/zinc/56/07/70/584560770.db2.gz CTIBYRBJFMEXOI-CYBMUJFWSA-N 1 3 239.407 1.450 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCN2CCCC2)C1 ZINC000902326672 584560890 /nfs/dbraw/zinc/56/08/90/584560890.db2.gz CTIBYRBJFMEXOI-ZDUSSCGKSA-N 1 3 239.407 1.450 20 0 BDADHO C/C=C\C[C@H](CO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374400 584567030 /nfs/dbraw/zinc/56/70/30/584567030.db2.gz LPFCSYRHSVIMRO-OEFFGFFESA-N 1 3 240.391 1.681 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902358695 584570807 /nfs/dbraw/zinc/57/08/07/584570807.db2.gz CMIIGRRBXBOHJZ-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](CCO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360328 584571193 /nfs/dbraw/zinc/57/11/93/584571193.db2.gz KWDAMWGTGLKHTN-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H](CCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902360328 584571194 /nfs/dbraw/zinc/57/11/94/584571194.db2.gz KWDAMWGTGLKHTN-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000902406638 584573862 /nfs/dbraw/zinc/57/38/62/584573862.db2.gz OUHYGZDVVNRWOD-IJLUTSLNSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902388252 584579797 /nfs/dbraw/zinc/57/97/97/584579797.db2.gz NASWRSQGCQUSOS-NEPJUHHUSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388252 584579798 /nfs/dbraw/zinc/57/97/98/584579798.db2.gz NASWRSQGCQUSOS-NEPJUHHUSA-N 1 3 242.407 1.904 20 0 BDADHO CO[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389086 584580609 /nfs/dbraw/zinc/58/06/09/584580609.db2.gz RXXQWEBDJNIFKF-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404054 584589281 /nfs/dbraw/zinc/58/92/81/584589281.db2.gz ISPPLPSYMQRLJV-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902404054 584589282 /nfs/dbraw/zinc/58/92/82/584589282.db2.gz ISPPLPSYMQRLJV-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H](Cc1ccsc1)NCC1([NH3+])CC1 ZINC000902416844 584591277 /nfs/dbraw/zinc/59/12/77/584591277.db2.gz OPYDBSYRFNENNH-VIFPVBQESA-N 1 3 210.346 1.760 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429785 584594926 /nfs/dbraw/zinc/59/49/26/584594926.db2.gz GYXGQXSRNHWYSU-WCFLWFBJSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)C1CNC1 ZINC000902432863 584596226 /nfs/dbraw/zinc/59/62/26/584596226.db2.gz RJMCWSUJNFYYOI-LLVKDONJSA-N 1 3 240.391 1.637 20 0 BDADHO COCC1CCC([NH2+][C@H]2CNCC2(C)C)CC1 ZINC000902445968 584598896 /nfs/dbraw/zinc/59/88/96/584598896.db2.gz RCMYTIVMWLTRKK-BPCQOVAHSA-N 1 3 240.391 1.779 20 0 BDADHO Cc1ccc([C@@H](C)[NH2+]CC2(N)CC2)c(C)n1 ZINC000902414040 584599623 /nfs/dbraw/zinc/59/96/23/584599623.db2.gz QZGDSNDPATWYCM-SNVBAGLBSA-N 1 3 219.332 1.840 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CC2)C12CCC2 ZINC000902413579 584599680 /nfs/dbraw/zinc/59/96/80/584599680.db2.gz OBORVLIJJYISAK-WDEREUQCSA-N 1 3 224.348 1.415 20 0 BDADHO CCC1(CC)[C@@H](NCC2([NH3+])CC2)C[C@@H]1OC ZINC000902414043 584599837 /nfs/dbraw/zinc/59/98/37/584599837.db2.gz RATFZZAFCJJPPS-QWRGUYRKSA-N 1 3 226.364 1.661 20 0 BDADHO CCC1(CC)[C@H](NCC2([NH3+])CC2)C[C@H]1OC ZINC000902414041 584599918 /nfs/dbraw/zinc/59/99/18/584599918.db2.gz RATFZZAFCJJPPS-GHMZBOCLSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CN1C1CC1 ZINC000902474496 584601825 /nfs/dbraw/zinc/60/18/25/584601825.db2.gz FPECVYALCYHSLE-SSYGJKRZSA-N 1 3 235.375 1.094 20 0 BDADHO COC1CCC([NH2+][C@H]2CNCC2(C)C)CC1 ZINC000902448370 584605605 /nfs/dbraw/zinc/60/56/05/584605605.db2.gz DNGMKZJCKHUHOD-MCIGGMRASA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]([NH2+][C@H]1CNCC1(C)C)C1CCOCC1 ZINC000902449393 584605983 /nfs/dbraw/zinc/60/59/83/584605983.db2.gz NUHBQVWZTCOILT-JQWIXIFHSA-N 1 3 226.364 1.389 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2nonc2c1 ZINC000902458094 584610140 /nfs/dbraw/zinc/61/01/40/584610140.db2.gz STZFOONBWFTAFH-MNOVXSKESA-N 1 3 246.314 1.440 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902458530 584610826 /nfs/dbraw/zinc/61/08/26/584610826.db2.gz VOKJLUOZLRFZGH-QNWJLWSRSA-N 1 3 208.349 1.892 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902466915 584614934 /nfs/dbraw/zinc/61/49/34/584614934.db2.gz ORHZDBKDPSJOPQ-NAWOPXAZSA-N 1 3 224.348 1.427 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469062 584615851 /nfs/dbraw/zinc/61/58/51/584615851.db2.gz ORHZDBKDPSJOPQ-NZEXEKPDSA-N 1 3 224.348 1.427 20 0 BDADHO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470650 584616608 /nfs/dbraw/zinc/61/66/08/584616608.db2.gz ZHLKRBOALATZSU-ZOLYEBIHSA-N 1 3 208.349 1.904 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470391 584616836 /nfs/dbraw/zinc/61/68/36/584616836.db2.gz WIEBLKPKJPFEFO-REWJHTLYSA-N 1 3 248.374 1.390 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC[C@H](O)C2CC2)C1 ZINC000902501458 584620534 /nfs/dbraw/zinc/62/05/34/584620534.db2.gz BJZNXFRBKSHWCK-STQMWFEESA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902501458 584620536 /nfs/dbraw/zinc/62/05/36/584620536.db2.gz BJZNXFRBKSHWCK-STQMWFEESA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503719 584620747 /nfs/dbraw/zinc/62/07/47/584620747.db2.gz JSLPVVPNBRRFSH-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC[C@H](O)C1CC1 ZINC000902503719 584620749 /nfs/dbraw/zinc/62/07/49/584620749.db2.gz JSLPVVPNBRRFSH-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO Cc1ncccc1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000902512729 584623472 /nfs/dbraw/zinc/62/34/72/584623472.db2.gz IZYYKKBWWRVAAP-UONOGXRCSA-N 1 3 245.370 1.792 20 0 BDADHO Cc1ncc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)c(C)n1 ZINC000902488777 584627376 /nfs/dbraw/zinc/62/73/76/584627376.db2.gz NVPKVMZWGGTSNQ-DLOVCJGASA-N 1 3 234.347 1.481 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C/C=C\Cl ZINC000902518137 584630856 /nfs/dbraw/zinc/63/08/56/584630856.db2.gz KXCQDYQBPHESMJ-UPINEFLWSA-N 1 3 202.729 1.989 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2COC[C@H]2C2CC2)C1 ZINC000902522019 584631289 /nfs/dbraw/zinc/63/12/89/584631289.db2.gz VEWZLXYNGAESFD-VOAKCMCISA-N 1 3 224.348 1.271 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1COC[C@H]1C1CC1 ZINC000902522034 584631493 /nfs/dbraw/zinc/63/14/93/584631493.db2.gz VKGYCAZZEVZFJD-QSFUFRPTSA-N 1 3 212.337 1.127 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)C12CCC2 ZINC000902521701 584631558 /nfs/dbraw/zinc/63/15/58/584631558.db2.gz STHMBWDUTQXJEC-LPWJVIDDSA-N 1 3 236.359 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2COC[C@@H]2C2CC2)C12CCC2 ZINC000902521701 584631559 /nfs/dbraw/zinc/63/15/59/584631559.db2.gz STHMBWDUTQXJEC-LPWJVIDDSA-N 1 3 236.359 1.271 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)C12CCC2 ZINC000902521699 584631827 /nfs/dbraw/zinc/63/18/27/584631827.db2.gz STHMBWDUTQXJEC-LOWDOPEQSA-N 1 3 236.359 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2COC[C@H]2C2CC2)C12CCC2 ZINC000902521699 584631829 /nfs/dbraw/zinc/63/18/29/584631829.db2.gz STHMBWDUTQXJEC-LOWDOPEQSA-N 1 3 236.359 1.271 20 0 BDADHO CC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903201332 584735365 /nfs/dbraw/zinc/73/53/65/584735365.db2.gz XLAJNZPPFNETQX-ZHDCTAKOSA-N 1 3 238.375 1.505 20 0 BDADHO CC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903201332 584735366 /nfs/dbraw/zinc/73/53/66/584735366.db2.gz XLAJNZPPFNETQX-ZHDCTAKOSA-N 1 3 238.375 1.505 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903447095 584770764 /nfs/dbraw/zinc/77/07/64/584770764.db2.gz DIYNWIOGCSPXKP-NGDQXYMTSA-N 1 3 244.329 1.947 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903454394 584773209 /nfs/dbraw/zinc/77/32/09/584773209.db2.gz BIMBVPSJVNRTKE-FRRDWIJNSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCN1C ZINC000903476383 584777685 /nfs/dbraw/zinc/77/76/85/584777685.db2.gz VQUMSNAYJKILPL-HZSPNIEDSA-N 1 3 239.407 1.114 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560057 584782462 /nfs/dbraw/zinc/78/24/62/584782462.db2.gz RWCGGMDKUCXKMK-DCAQKATOSA-N 1 3 212.337 1.081 20 0 BDADHO CNC[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903712989 584793365 /nfs/dbraw/zinc/79/33/65/584793365.db2.gz CTWWRZKHXKLSIH-CPCZMJQVSA-N 1 3 210.365 1.964 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903712989 584793366 /nfs/dbraw/zinc/79/33/66/584793366.db2.gz CTWWRZKHXKLSIH-CPCZMJQVSA-N 1 3 210.365 1.964 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC2CC(C)C2)C1 ZINC000903712989 584793367 /nfs/dbraw/zinc/79/33/67/584793367.db2.gz CTWWRZKHXKLSIH-CPCZMJQVSA-N 1 3 210.365 1.964 20 0 BDADHO CNC[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC000903712991 584793828 /nfs/dbraw/zinc/79/38/28/584793828.db2.gz CTWWRZKHXKLSIH-OTTFEQOBSA-N 1 3 210.365 1.964 20 0 BDADHO CNC[C@H]1CCC[N@@H+](CC2CC(C)C2)C1 ZINC000903712991 584793829 /nfs/dbraw/zinc/79/38/29/584793829.db2.gz CTWWRZKHXKLSIH-OTTFEQOBSA-N 1 3 210.365 1.964 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC2CC(C)C2)C1 ZINC000903712991 584793830 /nfs/dbraw/zinc/79/38/30/584793830.db2.gz CTWWRZKHXKLSIH-OTTFEQOBSA-N 1 3 210.365 1.964 20 0 BDADHO CC1CC(CN2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000903749539 584794715 /nfs/dbraw/zinc/79/47/15/584794715.db2.gz LHEYRXGKKMPJIP-RUXDESIVSA-N 1 3 237.391 1.012 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@H](C)CN1C ZINC000903752432 584795379 /nfs/dbraw/zinc/79/53/79/584795379.db2.gz NVSLYWLYIMTIPO-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@H](C)CN1C ZINC000903752430 584795748 /nfs/dbraw/zinc/79/57/48/584795748.db2.gz NVSLYWLYIMTIPO-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCNC1)[C@@H]1CCCOC1 ZINC000903758514 584798584 /nfs/dbraw/zinc/79/85/84/584798584.db2.gz LQRIMCNUZKDSER-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCCSC[C@H]1C1CC1 ZINC000903825959 584804491 /nfs/dbraw/zinc/80/44/91/584804491.db2.gz GFRCQFQMPJOGHP-AAEUAGOBSA-N 1 3 240.416 1.813 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCCCCF ZINC000903859002 584810865 /nfs/dbraw/zinc/81/08/65/584810865.db2.gz KTUKCXXGSAPRFK-VXGBXAGGSA-N 1 3 214.328 1.939 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903860643 584812028 /nfs/dbraw/zinc/81/20/28/584812028.db2.gz SNKZICSHWSQMRG-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903860643 584812029 /nfs/dbraw/zinc/81/20/29/584812029.db2.gz SNKZICSHWSQMRG-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO N[C@H](C[NH2+]Cc1cccc(F)c1)CC(F)F ZINC000903923490 584823611 /nfs/dbraw/zinc/82/36/11/584823611.db2.gz VJOHVENEUCATCQ-JTQLQIEISA-N 1 3 232.249 1.898 20 0 BDADHO [NH3+][C@H](CNCCc1ccc(F)cc1)CC(F)F ZINC000903925639 584823660 /nfs/dbraw/zinc/82/36/60/584823660.db2.gz OYFWTOXCJIVEKD-NSHDSACASA-N 1 3 246.276 1.940 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCCSC1 ZINC000903966763 584834499 /nfs/dbraw/zinc/83/44/99/584834499.db2.gz BMSMZHFUEQICKR-OUAUKWLOSA-N 1 3 214.378 1.327 20 0 BDADHO COCC(C)(C)CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967422 584835178 /nfs/dbraw/zinc/83/51/78/584835178.db2.gz JJVFNPDNZOYAIL-MNOVXSKESA-N 1 3 214.353 1.104 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCCC[C@H]2c2ncc[nH]2)C1 ZINC000904315987 584862658 /nfs/dbraw/zinc/86/26/58/584862658.db2.gz HVKVHQMBFPLALB-TUAOUCFPSA-N 1 3 234.347 1.674 20 0 BDADHO C[C@H](O)[C@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904332576 584865762 /nfs/dbraw/zinc/86/57/62/584865762.db2.gz RXDDVOLJUBRIDT-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904332576 584865763 /nfs/dbraw/zinc/86/57/63/584865763.db2.gz RXDDVOLJUBRIDT-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904332576 584865765 /nfs/dbraw/zinc/86/57/65/584865765.db2.gz RXDDVOLJUBRIDT-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO CC[N@H+](CCCO)C[C@]1(C)CCCNC1 ZINC000904342224 584867113 /nfs/dbraw/zinc/86/71/13/584867113.db2.gz ZUPWXHIIBDNIDX-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CC[N@@H+](CCCO)C[C@]1(C)CCCNC1 ZINC000904342224 584867115 /nfs/dbraw/zinc/86/71/15/584867115.db2.gz ZUPWXHIIBDNIDX-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)[C@H]1CO ZINC000904341774 584867400 /nfs/dbraw/zinc/86/74/00/584867400.db2.gz VUXOFVRSZGRCBV-AGIUHOORSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)[C@H]1CO ZINC000904341774 584867401 /nfs/dbraw/zinc/86/74/01/584867401.db2.gz VUXOFVRSZGRCBV-AGIUHOORSA-N 1 3 242.407 1.843 20 0 BDADHO c1cn(C2CC2)c(CNCCC[C@@H]2CCC[NH2+]2)n1 ZINC000904355039 584870960 /nfs/dbraw/zinc/87/09/60/584870960.db2.gz MAWUCMGMYHOACS-GFCCVEGCSA-N 1 3 248.374 1.840 20 0 BDADHO Cc1nn(C)cc1[C@H](C)NC1CC(C[NH3+])C1 ZINC000904368246 584872518 /nfs/dbraw/zinc/87/25/18/584872518.db2.gz OXKPVOYHTHMEDR-PUSIOWJLSA-N 1 3 222.336 1.116 20 0 BDADHO COCCC[NH2+]C[C@]1(C)CCCNC1 ZINC000904367981 584872811 /nfs/dbraw/zinc/87/28/11/584872811.db2.gz LVVMDAZBVMVDSV-LLVKDONJSA-N 1 3 200.326 1.002 20 0 BDADHO C[C@@]1(CNCCc2ccccn2)CCC[NH2+]C1 ZINC000904369142 584873302 /nfs/dbraw/zinc/87/33/02/584873302.db2.gz ZFPOFHUFLMHPPH-CQSZACIVSA-N 1 3 233.359 1.603 20 0 BDADHO C[C@@]1(C[NH2+]CCc2ccccn2)CCCNC1 ZINC000904369142 584873304 /nfs/dbraw/zinc/87/33/04/584873304.db2.gz ZFPOFHUFLMHPPH-CQSZACIVSA-N 1 3 233.359 1.603 20 0 BDADHO COC(=O)C(C)(C)CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904369123 584873464 /nfs/dbraw/zinc/87/34/64/584873464.db2.gz YPRUHVUPDRRQJL-ZDUSSCGKSA-N 1 3 242.363 1.165 20 0 BDADHO COC(=O)C(C)(C)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000904369123 584873465 /nfs/dbraw/zinc/87/34/65/584873465.db2.gz YPRUHVUPDRRQJL-ZDUSSCGKSA-N 1 3 242.363 1.165 20 0 BDADHO [NH3+]CC1CC(NCc2ccc(F)cc2F)C1 ZINC000904364208 584874211 /nfs/dbraw/zinc/87/42/11/584874211.db2.gz UJZUWXQKRRSTEP-UHFFFAOYSA-N 1 3 226.270 1.792 20 0 BDADHO CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)Cc2cccnc21 ZINC000904383825 584877084 /nfs/dbraw/zinc/87/70/84/584877084.db2.gz FFWNQDVWKXPGPY-BJHJDKERSA-N 1 3 246.358 1.071 20 0 BDADHO C[C@H]1CN(Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC000904410551 584878898 /nfs/dbraw/zinc/87/88/98/584878898.db2.gz HJZBBNQLASQRGS-JQWIXIFHSA-N 1 3 234.347 1.081 20 0 BDADHO C[C@H]1CN(Cc2cncs2)CC[C@@H]1C[NH3+] ZINC000904412570 584879821 /nfs/dbraw/zinc/87/98/21/584879821.db2.gz WMYBOELXWBZKAJ-VHSXEESVSA-N 1 3 225.361 1.560 20 0 BDADHO Cc1ccsc1CN1CCNCC[NH2+]CC1 ZINC000904398405 584880581 /nfs/dbraw/zinc/88/05/81/584880581.db2.gz OSFMUHMOUHMWHP-UHFFFAOYSA-N 1 3 239.388 1.051 20 0 BDADHO O[C@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000838853713 585075029 /nfs/dbraw/zinc/07/50/29/585075029.db2.gz NHUNUQCBPCYMHJ-GXTWGEPZSA-N 1 3 238.375 1.175 20 0 BDADHO O[C@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000838853713 585075030 /nfs/dbraw/zinc/07/50/30/585075030.db2.gz NHUNUQCBPCYMHJ-GXTWGEPZSA-N 1 3 238.375 1.175 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCCCCCCO)C1 ZINC000743847422 585140868 /nfs/dbraw/zinc/14/08/68/585140868.db2.gz CHDVMPHPFSSBPK-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO C[C@@H]1CCCN1CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000766271874 585500300 /nfs/dbraw/zinc/50/03/00/585500300.db2.gz GTDXRIDGWBNNEH-MCIONIFRSA-N 1 3 239.407 1.543 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)CCO ZINC000779337765 585751553 /nfs/dbraw/zinc/75/15/53/585751553.db2.gz DHQOKAMUNBJTRZ-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)CCO ZINC000779337765 585751554 /nfs/dbraw/zinc/75/15/54/585751554.db2.gz DHQOKAMUNBJTRZ-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CC(C)CN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786672815 585896006 /nfs/dbraw/zinc/89/60/06/585896006.db2.gz YFEAINLAZCLVBP-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)CN1CCC([N@H+]2CCCOCC2)CC1 ZINC000786672815 585896007 /nfs/dbraw/zinc/89/60/07/585896007.db2.gz YFEAINLAZCLVBP-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000788471070 585925200 /nfs/dbraw/zinc/92/52/00/585925200.db2.gz SSKLKAVAPQUZJZ-RYUDHWBXSA-N 1 3 226.364 1.437 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000795118122 586068671 /nfs/dbraw/zinc/06/86/71/586068671.db2.gz ZXTFSQIWYMOOPD-LLVKDONJSA-N 1 3 205.305 1.612 20 0 BDADHO CN(CCCO)Cc1ccc(C[NH+](C)C)cc1 ZINC000799739015 586195585 /nfs/dbraw/zinc/19/55/85/586195585.db2.gz GXDDHHZXJHJDNR-UHFFFAOYSA-N 1 3 236.359 1.562 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@H]1N ZINC000817888942 586832154 /nfs/dbraw/zinc/83/21/54/586832154.db2.gz LZSNYQAYZSWOGH-MGPQQGTHSA-N 1 3 234.343 1.498 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@H]1N ZINC000817888940 586832307 /nfs/dbraw/zinc/83/23/07/586832307.db2.gz LZSNYQAYZSWOGH-HZSPNIEDSA-N 1 3 234.343 1.498 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817892206 586832893 /nfs/dbraw/zinc/83/28/93/586832893.db2.gz KHCJXEGVNGCJLB-QLFBSQMISA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H](O)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817894154 586833532 /nfs/dbraw/zinc/83/35/32/586833532.db2.gz KFJUSPMIDRLKEO-GLQYFDAESA-N 1 3 248.370 1.957 20 0 BDADHO C[C@@H]1CCCN1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000817911428 586838431 /nfs/dbraw/zinc/83/84/31/586838431.db2.gz AHFBMIXKWBTMEG-JHJVBQTASA-N 1 3 225.380 1.188 20 0 BDADHO Cc1ncc(CCN[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000817915039 586838953 /nfs/dbraw/zinc/83/89/53/586838953.db2.gz GYTRRKALRHHIOW-BDAKNGLRSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@H](CSC(C)(C)C)[NH2+]CCCN ZINC000817938099 586844037 /nfs/dbraw/zinc/84/40/37/586844037.db2.gz DLNCZDNMKRNBKM-SECBINFHSA-N 1 3 204.383 1.845 20 0 BDADHO C[C@H](CSC(C)(C)C)NCCC[NH3+] ZINC000817938099 586844040 /nfs/dbraw/zinc/84/40/40/586844040.db2.gz DLNCZDNMKRNBKM-SECBINFHSA-N 1 3 204.383 1.845 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818984905 586919249 /nfs/dbraw/zinc/91/92/49/586919249.db2.gz MUABTTZSSVDASO-TZMCWYRMSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC000818984905 586919251 /nfs/dbraw/zinc/91/92/51/586919251.db2.gz MUABTTZSSVDASO-TZMCWYRMSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC000818984905 586919253 /nfs/dbraw/zinc/91/92/53/586919253.db2.gz MUABTTZSSVDASO-TZMCWYRMSA-N 1 3 240.391 1.467 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818981217 586920154 /nfs/dbraw/zinc/92/01/54/586920154.db2.gz STIIILNIMOIQIB-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC000818981217 586920156 /nfs/dbraw/zinc/92/01/56/586920156.db2.gz STIIILNIMOIQIB-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC000818981217 586920157 /nfs/dbraw/zinc/92/01/57/586920157.db2.gz STIIILNIMOIQIB-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H](CO)[NH2+][C@@H](C)c1cccc(CN(C)C)c1 ZINC000820812301 587074370 /nfs/dbraw/zinc/07/43/70/587074370.db2.gz HZVXFQOGAMPGCW-RYUDHWBXSA-N 1 3 236.359 1.780 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1CC[NH+]1CCCC1 ZINC000823184285 587207174 /nfs/dbraw/zinc/20/71/74/587207174.db2.gz CSQGPBYNYWNEIT-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO NCc1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000832223801 587651625 /nfs/dbraw/zinc/65/16/25/587651625.db2.gz WDWNIBAUYQZTPW-LBPRGKRZSA-N 1 3 233.315 1.211 20 0 BDADHO CCCCCCN(C)CC(=O)NC[C@H](C)C[NH3+] ZINC000834340779 587752573 /nfs/dbraw/zinc/75/25/73/587752573.db2.gz CMKKPNVPKOZSTK-GFCCVEGCSA-N 1 3 243.395 1.210 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cncc2ccccc21 ZINC000841049674 587940087 /nfs/dbraw/zinc/94/00/87/587940087.db2.gz VDWBOUZRWXRNSU-NSHDSACASA-N 1 3 229.327 1.919 20 0 BDADHO CCOc1cccc(CNC2CCC([NH3+])CC2)n1 ZINC000843104532 588081796 /nfs/dbraw/zinc/08/17/96/588081796.db2.gz LJCVFJACJKISFH-UHFFFAOYSA-N 1 3 249.358 1.840 20 0 BDADHO OCCCCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000843345321 588102166 /nfs/dbraw/zinc/10/21/66/588102166.db2.gz AFOXNPMQMKXTOT-UHFFFAOYSA-N 1 3 240.391 1.756 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000848981012 588423518 /nfs/dbraw/zinc/42/35/18/588423518.db2.gz VCHSIAXICASTTD-MNOVXSKESA-N 1 3 226.368 1.383 20 0 BDADHO CC[C@H](CNC1=[NH+]CCCN1C)N1CCCC1 ZINC000848986338 588425629 /nfs/dbraw/zinc/42/56/29/588425629.db2.gz DWAXSCDGSDVGOL-GFCCVEGCSA-N 1 3 238.379 1.142 20 0 BDADHO CC[C@H](CNC(=[NH2+])N1CCC1)N1CCCC1 ZINC000848986463 588425871 /nfs/dbraw/zinc/42/58/71/588425871.db2.gz UTDHYVRLHGDQLG-LLVKDONJSA-N 1 3 224.352 1.091 20 0 BDADHO CCCCN1CCCC[C@H]1CNC(=[NH2+])N(C)C ZINC000848999143 588430056 /nfs/dbraw/zinc/43/00/56/588430056.db2.gz XAJDMEFLIINYRF-LBPRGKRZSA-N 1 3 240.395 1.727 20 0 BDADHO CC(C)(C)NCCNC(=[NH2+])NC1CCC1 ZINC000849006081 588432629 /nfs/dbraw/zinc/43/26/29/588432629.db2.gz RIFCUKBZQBTFPQ-UHFFFAOYSA-N 1 3 212.341 1.041 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCC(C)CC1)CN(C)C ZINC000849030293 588442283 /nfs/dbraw/zinc/44/22/83/588442283.db2.gz JBZKTEARZCNZAX-GFCCVEGCSA-N 1 3 240.395 1.440 20 0 BDADHO CO[C@H]1CC[C@H](N2CCC([NH+](C)C)CC2)C1 ZINC000851726221 588618135 /nfs/dbraw/zinc/61/81/35/588618135.db2.gz NRGIMBQTSYNGJE-STQMWFEESA-N 1 3 226.364 1.580 20 0 BDADHO C[C@H]([NH3+])C1CCN(CCOC(F)F)CC1 ZINC000852743810 588697318 /nfs/dbraw/zinc/69/73/18/588697318.db2.gz KPIYASUHGQOZKJ-QMMMGPOBSA-N 1 3 222.279 1.285 20 0 BDADHO CN(C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC000852774786 588702016 /nfs/dbraw/zinc/70/20/16/588702016.db2.gz ZFWFTWXKBNSFQE-CHWSQXEVSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC23CCC3)C[C@H](C)O1 ZINC000863483056 589292600 /nfs/dbraw/zinc/29/26/00/589292600.db2.gz POYYYZCHYOKUQE-RNJOBUHISA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)CCO1 ZINC000863483744 589293400 /nfs/dbraw/zinc/29/34/00/589293400.db2.gz ZRVVHVGFZLQSAX-FRRDWIJNSA-N 1 3 238.375 1.676 20 0 BDADHO [NH3+]Cc1cc(-c2cnn3c2CNCC3)ccc1F ZINC000863713683 589312675 /nfs/dbraw/zinc/31/26/75/589312675.db2.gz QQPAESFCLLMUHE-UHFFFAOYSA-N 1 3 246.289 1.251 20 0 BDADHO C[C@H]1C[C@@H]1NC(=[NH2+])NCCN1CCCC1(C)C ZINC000864465675 589370820 /nfs/dbraw/zinc/37/08/20/589370820.db2.gz BLBTWITYUYJNLT-QWRGUYRKSA-N 1 3 238.379 1.383 20 0 BDADHO CO[C@@H](CN1CC[NH2+]CCC1(C)C)C1CCC1 ZINC000866697711 589512755 /nfs/dbraw/zinc/51/27/55/589512755.db2.gz WHRFYIPKZGQJSP-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO CN(C)Cc1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000123091690 589661625 /nfs/dbraw/zinc/66/16/25/589661625.db2.gz YBTALPFQFVEVCY-UHFFFAOYSA-N 1 3 249.358 1.672 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CC2(CCC2)CO1 ZINC000872145633 589884083 /nfs/dbraw/zinc/88/40/83/589884083.db2.gz VQEFOMCMSSXLKX-NEPJUHHUSA-N 1 3 240.391 1.909 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000872253016 589900393 /nfs/dbraw/zinc/90/03/93/589900393.db2.gz YOHHKWZKJDHUOJ-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCOC2)C1 ZINC000872250916 589900395 /nfs/dbraw/zinc/90/03/95/589900395.db2.gz DTBMGGZYWORNNG-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H]([NH3+])CNCc1cc2c(s1)CCNC2 ZINC000873212163 589995972 /nfs/dbraw/zinc/99/59/72/589995972.db2.gz IWRPARWEMQEEAI-SNVBAGLBSA-N 1 3 239.388 1.221 20 0 BDADHO C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCOC1 ZINC000873234559 590004231 /nfs/dbraw/zinc/00/42/31/590004231.db2.gz GNTUYUOADFEBQQ-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249283 590007461 /nfs/dbraw/zinc/00/74/61/590007461.db2.gz KDZFXTJOGXDJIV-UKKRHICBSA-N 1 3 220.320 1.216 20 0 BDADHO C[C@H]1C[C@H](NC[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249282 590007470 /nfs/dbraw/zinc/00/74/70/590007470.db2.gz KDZFXTJOGXDJIV-MMWGEVLESA-N 1 3 220.320 1.216 20 0 BDADHO Cc1cc([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)nn1C ZINC000873248897 590007619 /nfs/dbraw/zinc/00/76/19/590007619.db2.gz GOXRVEAKIPZJNC-GARJFASQSA-N 1 3 222.336 1.116 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252925 590009000 /nfs/dbraw/zinc/00/90/00/590009000.db2.gz SNLLAPXVUIPTFQ-RFHZTLPTSA-N 1 3 240.391 1.765 20 0 BDADHO Cc1cc([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)nn1C ZINC000873255504 590011171 /nfs/dbraw/zinc/01/11/71/590011171.db2.gz GOXRVEAKIPZJNC-DCAQKATOSA-N 1 3 222.336 1.116 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270982 590016084 /nfs/dbraw/zinc/01/60/84/590016084.db2.gz DLFSHRFYDPTBNJ-GVXVVHGQSA-N 1 3 248.374 1.867 20 0 BDADHO C[C@@H](NC1([C@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873275998 590017917 /nfs/dbraw/zinc/01/79/17/590017917.db2.gz PRAVLRVPEFBFJR-DGCLKSJQSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)C1CNC1 ZINC000873275998 590017919 /nfs/dbraw/zinc/01/79/19/590017919.db2.gz PRAVLRVPEFBFJR-DGCLKSJQSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CC(C)(C)CO1 ZINC000873282958 590019236 /nfs/dbraw/zinc/01/92/36/590019236.db2.gz XQPHJPDBIRYQMD-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1Cc2ccccc2CN1 ZINC000873297093 590024890 /nfs/dbraw/zinc/02/48/90/590024890.db2.gz RBZYTERIFSPTSB-SLEUVZQESA-N 1 3 247.386 1.416 20 0 BDADHO CC[C@@H](C(=O)N(C)C1CCC([NH3+])CC1)N(C)C ZINC000876540831 590212274 /nfs/dbraw/zinc/21/22/74/590212274.db2.gz NXRGFMWNEBABMD-MCIGGMRASA-N 1 3 241.379 1.055 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000877105852 590285009 /nfs/dbraw/zinc/28/50/09/590285009.db2.gz SLEZGYNUIXTJCW-ZYHUDNBSSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000877106908 590285497 /nfs/dbraw/zinc/28/54/97/590285497.db2.gz XVPCRJZSPYHYSE-MFKMUULPSA-N 1 3 247.342 1.027 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CC3(C)CC3)CC[C@@H]21 ZINC000877738226 590405242 /nfs/dbraw/zinc/40/52/42/590405242.db2.gz ASHHRMGHGYPETP-NEPJUHHUSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CC3(C)CC3)CC[C@@H]21 ZINC000877738226 590405244 /nfs/dbraw/zinc/40/52/44/590405244.db2.gz ASHHRMGHGYPETP-NEPJUHHUSA-N 1 3 208.349 1.813 20 0 BDADHO C=C/C=C\CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865877 590635526 /nfs/dbraw/zinc/63/55/26/590635526.db2.gz OSXLYAWUFTWRAE-GEXIGZQTSA-N 1 3 238.375 1.507 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000879573794 590815012 /nfs/dbraw/zinc/81/50/12/590815012.db2.gz RQVHPTOFXJPRHP-NEPJUHHUSA-N 1 3 226.440 1.890 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000879573794 590815016 /nfs/dbraw/zinc/81/50/16/590815016.db2.gz RQVHPTOFXJPRHP-NEPJUHHUSA-N 1 3 226.440 1.890 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580865 590820671 /nfs/dbraw/zinc/82/06/71/590820671.db2.gz VDCBAHXXZBFNKK-HZSPNIEDSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580865 590820674 /nfs/dbraw/zinc/82/06/74/590820674.db2.gz VDCBAHXXZBFNKK-HZSPNIEDSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879582099 590820815 /nfs/dbraw/zinc/82/08/15/590820815.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879582099 590820816 /nfs/dbraw/zinc/82/08/16/590820816.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582099 590820818 /nfs/dbraw/zinc/82/08/18/590820818.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582099 590820820 /nfs/dbraw/zinc/82/08/20/590820820.db2.gz PPTXXAIQEPKVIL-YNEHKIRRSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879582096 590821618 /nfs/dbraw/zinc/82/16/18/590821618.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879582096 590821620 /nfs/dbraw/zinc/82/16/20/590821620.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582096 590821622 /nfs/dbraw/zinc/82/16/22/590821622.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582096 590821625 /nfs/dbraw/zinc/82/16/25/590821625.db2.gz PPTXXAIQEPKVIL-FRRDWIJNSA-N 1 3 226.364 1.029 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](CF)C1 ZINC000880297220 590990363 /nfs/dbraw/zinc/99/03/63/590990363.db2.gz KXMIQQDFWBVRRX-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](CF)C1 ZINC000880297220 590990366 /nfs/dbraw/zinc/99/03/66/590990366.db2.gz KXMIQQDFWBVRRX-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO CCN(CC)CCC[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880440008 591042135 /nfs/dbraw/zinc/04/21/35/591042135.db2.gz PULLFHYQXRQGDE-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@H+]1[C@@H](C)CC[C@H]1CO ZINC000880440008 591042140 /nfs/dbraw/zinc/04/21/40/591042140.db2.gz PULLFHYQXRQGDE-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCC(CC)[NH2+]CCCN1CCCN(C)CC1 ZINC000128566035 591125902 /nfs/dbraw/zinc/12/59/02/591125902.db2.gz GCDNVHKIWDKVGR-UHFFFAOYSA-N 1 3 241.423 1.792 20 0 BDADHO C[N@H+](CC[C@@H]1CCCC1(F)F)C[C@H](O)CN ZINC000883430107 591661494 /nfs/dbraw/zinc/66/14/94/591661494.db2.gz NHOZWILPWWWEAR-VHSXEESVSA-N 1 3 236.306 1.063 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@H](O)CN ZINC000883430107 591661496 /nfs/dbraw/zinc/66/14/96/591661496.db2.gz NHOZWILPWWWEAR-VHSXEESVSA-N 1 3 236.306 1.063 20 0 BDADHO CN(CC[C@@H]1CCCC1(F)F)C[C@H](O)C[NH3+] ZINC000883430107 591661498 /nfs/dbraw/zinc/66/14/98/591661498.db2.gz NHOZWILPWWWEAR-VHSXEESVSA-N 1 3 236.306 1.063 20 0 BDADHO [NH3+]CCOCCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000883461743 591674410 /nfs/dbraw/zinc/67/44/10/591674410.db2.gz BZHFOZIXTRWLTL-WFASDCNBSA-N 1 3 246.354 1.896 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884037832 591818691 /nfs/dbraw/zinc/81/86/91/591818691.db2.gz NHVYPPVBIAYUNC-TVQRCGJNSA-N 1 3 247.342 1.772 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884037831 591818801 /nfs/dbraw/zinc/81/88/01/591818801.db2.gz NHVYPPVBIAYUNC-RNCFNFMXSA-N 1 3 247.342 1.772 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215883 592177984 /nfs/dbraw/zinc/17/79/84/592177984.db2.gz SLNMWNNUTQRBOH-VXGBXAGGSA-N 1 3 248.317 1.030 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215883 592177985 /nfs/dbraw/zinc/17/79/85/592177985.db2.gz SLNMWNNUTQRBOH-VXGBXAGGSA-N 1 3 248.317 1.030 20 0 BDADHO CC(C)N(C)CCC[NH2+]C[C@H]1CCC=CO1 ZINC000219375397 592222968 /nfs/dbraw/zinc/22/29/68/592222968.db2.gz VBDQQSSJLNPTGJ-CYBMUJFWSA-N 1 3 226.364 1.999 20 0 BDADHO C[NH2+]C1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886827627 592350003 /nfs/dbraw/zinc/35/00/03/592350003.db2.gz OKUSOSPLSYJPKG-WCQYABFASA-N 1 3 224.348 1.097 20 0 BDADHO CNC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886827627 592350004 /nfs/dbraw/zinc/35/00/04/592350004.db2.gz OKUSOSPLSYJPKG-WCQYABFASA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1N ZINC000886829437 592352265 /nfs/dbraw/zinc/35/22/65/592352265.db2.gz AFSBHTZEDXHHDU-XQHKEYJVSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1N ZINC000886829437 592352270 /nfs/dbraw/zinc/35/22/70/592352270.db2.gz AFSBHTZEDXHHDU-XQHKEYJVSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)CC[C@H]1[NH3+] ZINC000886829437 592352275 /nfs/dbraw/zinc/35/22/75/592352275.db2.gz AFSBHTZEDXHHDU-XQHKEYJVSA-N 1 3 224.348 1.082 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1N ZINC000886837323 592358819 /nfs/dbraw/zinc/35/88/19/592358819.db2.gz FCYAUPCVXIOWLR-ZOBORPQBSA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1N ZINC000886837323 592358823 /nfs/dbraw/zinc/35/88/23/592358823.db2.gz FCYAUPCVXIOWLR-ZOBORPQBSA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886837323 592358829 /nfs/dbraw/zinc/35/88/29/592358829.db2.gz FCYAUPCVXIOWLR-ZOBORPQBSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H]1CN(CCCCCC[NH3+])[C@@H](C)CO1 ZINC000223223072 592522075 /nfs/dbraw/zinc/52/20/75/592522075.db2.gz ZNXHJOOTSDQJRU-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO CSC(C)(C)C[C@@H](C)NC1(C[NH3+])CC1 ZINC001258328439 991250453 /nfs/dbraw/zinc/25/04/53/991250453.db2.gz BPTJTPRCZDNQQE-SECBINFHSA-N 1 3 216.394 1.988 20 0 BDADHO OC[C@@H]1CCCCCN1CCC[NH2+]C1CC1 ZINC000124778119 634432901 /nfs/dbraw/zinc/43/29/01/634432901.db2.gz BJUMLZLOGXTPAN-ZDUSSCGKSA-N 1 3 226.364 1.365 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925714916 634436023 /nfs/dbraw/zinc/43/60/23/634436023.db2.gz ZBUBQEPCKYPPOM-WXRRBKDZSA-N 1 3 238.375 1.676 20 0 BDADHO C([C@@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000257687940 634462416 /nfs/dbraw/zinc/46/24/16/634462416.db2.gz MSEHDPXMNMKDSJ-STQMWFEESA-N 1 3 224.348 1.241 20 0 BDADHO C([C@@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000257687940 634462421 /nfs/dbraw/zinc/46/24/21/634462421.db2.gz MSEHDPXMNMKDSJ-STQMWFEESA-N 1 3 224.348 1.241 20 0 BDADHO CN1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227539416 635451585 /nfs/dbraw/zinc/45/15/85/635451585.db2.gz FSGVHGZVTFPSMO-ZLKJLUDKSA-N 1 3 231.343 1.425 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000925858758 635551973 /nfs/dbraw/zinc/55/19/73/635551973.db2.gz OVRMGWXOAQAVKH-GRYCIOLGSA-N 1 3 214.353 1.255 20 0 BDADHO CCOC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082560574 631407707 /nfs/dbraw/zinc/40/77/07/631407707.db2.gz RQRWWORNZQOTBY-NEPJUHHUSA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCCSC[C@H]1C ZINC000934297554 631763783 /nfs/dbraw/zinc/76/37/83/631763783.db2.gz HRJWCXBBSVNOKE-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCCSC[C@H]1C ZINC000934297554 631763789 /nfs/dbraw/zinc/76/37/89/631763789.db2.gz HRJWCXBBSVNOKE-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO CC(C)CNC(=[NH2+])NCCN1CCCCCC1 ZINC000052043205 632053280 /nfs/dbraw/zinc/05/32/80/632053280.db2.gz NJFLPHQJEQIWKY-UHFFFAOYSA-N 1 3 240.395 1.632 20 0 BDADHO CN(CCC[NH3+])CCc1ccc2c(c1)OCO2 ZINC000034436616 632596747 /nfs/dbraw/zinc/59/67/47/632596747.db2.gz DXISLICMJSDMHP-UHFFFAOYSA-N 1 3 236.315 1.238 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000892461964 632732658 /nfs/dbraw/zinc/73/26/58/632732658.db2.gz LLIUETIKNVKYGA-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CC(C)COCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000232673069 636021416 /nfs/dbraw/zinc/02/14/16/636021416.db2.gz ODQIBPBVVCZBJQ-STQMWFEESA-N 1 3 228.380 1.576 20 0 BDADHO C1=CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328461092 633765361 /nfs/dbraw/zinc/76/53/61/633765361.db2.gz URGKJZJTVFCLOP-XNBXPENISA-N 1 3 218.344 1.681 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328546026 633773887 /nfs/dbraw/zinc/77/38/87/633773887.db2.gz NHNBUTJCHWHBFB-MZHQWRCYSA-N 1 3 249.402 1.057 20 0 BDADHO CO[C@@H](C)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925565672 634059381 /nfs/dbraw/zinc/05/93/81/634059381.db2.gz WAJYKJMAFGESQB-RNJOBUHISA-N 1 3 240.391 1.778 20 0 BDADHO COCC1(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603503 634133133 /nfs/dbraw/zinc/13/31/33/634133133.db2.gz NQWPUYHMGKSGHV-WDEREUQCSA-N 1 3 226.364 1.661 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)n[nH]1 ZINC000925617677 634167527 /nfs/dbraw/zinc/16/75/27/634167527.db2.gz DXDHQFXQCIBDGY-UFGOTCBOSA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)[nH]n1 ZINC000925617677 634167535 /nfs/dbraw/zinc/16/75/35/634167535.db2.gz DXDHQFXQCIBDGY-UFGOTCBOSA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCN[C@@H]2C)[nH]n1 ZINC000925617677 634167541 /nfs/dbraw/zinc/16/75/41/634167541.db2.gz DXDHQFXQCIBDGY-UFGOTCBOSA-N 1 3 236.363 1.379 20 0 BDADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925642176 634189279 /nfs/dbraw/zinc/18/92/79/634189279.db2.gz ROGXIURUVWFVEK-QIOFFNHISA-N 1 3 224.348 1.173 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925642176 634189283 /nfs/dbraw/zinc/18/92/83/634189283.db2.gz ROGXIURUVWFVEK-QIOFFNHISA-N 1 3 224.348 1.173 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643426 634196504 /nfs/dbraw/zinc/19/65/04/634196504.db2.gz IMRCISFMKNRCND-TUAOUCFPSA-N 1 3 246.358 1.057 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643426 634196508 /nfs/dbraw/zinc/19/65/08/634196508.db2.gz IMRCISFMKNRCND-TUAOUCFPSA-N 1 3 246.358 1.057 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686892 634300459 /nfs/dbraw/zinc/30/04/59/634300459.db2.gz XKASFLKNQYZBGU-KXNHARMFSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925686892 634300464 /nfs/dbraw/zinc/30/04/64/634300464.db2.gz XKASFLKNQYZBGU-KXNHARMFSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689465 634308211 /nfs/dbraw/zinc/30/82/11/634308211.db2.gz AAIDLAQBPJFQGN-UWVGGRQHSA-N 1 3 208.309 1.060 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925774306 635233947 /nfs/dbraw/zinc/23/39/47/635233947.db2.gz MIHCVYPIPSIDOL-UPJWGTAASA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1ccn(C)n1 ZINC000925791594 635319903 /nfs/dbraw/zinc/31/99/03/635319903.db2.gz BOIPLNIBTSAJBR-IJLUTSLNSA-N 1 3 236.363 1.316 20 0 BDADHO CC1(C)C[C@@H](O)CN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000866704334 636933873 /nfs/dbraw/zinc/93/38/73/636933873.db2.gz SSVYOGQFPQVMEW-VXGBXAGGSA-N 1 3 226.364 1.079 20 0 BDADHO CCO[C@H](CN[C@@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000926960867 636972964 /nfs/dbraw/zinc/97/29/64/636972964.db2.gz NNAVWDGLXFLQEM-XQQFMLRXSA-N 1 3 244.379 1.110 20 0 BDADHO CC(C)(C)[NH2+]CCN1CCN(CC2CC2)CC1 ZINC000042491056 637273069 /nfs/dbraw/zinc/27/30/69/637273069.db2.gz CEMMGQNHTDYVAU-UHFFFAOYSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cncc([O-])c2)CC[NH2+]1 ZINC000904433317 637401120 /nfs/dbraw/zinc/40/11/20/637401120.db2.gz LFCORPMGYCAMFA-MNOVXSKESA-N 1 3 235.331 1.265 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+]C1CC(N)C1)C2 ZINC000906511059 638184556 /nfs/dbraw/zinc/18/45/56/638184556.db2.gz RNHMSJOKMJFXFZ-CPCZMJQVSA-N 1 3 246.354 1.632 20 0 BDADHO COc1cccc2c1CC[C@H](NC1CC([NH3+])C1)C2 ZINC000906511059 638184563 /nfs/dbraw/zinc/18/45/63/638184563.db2.gz RNHMSJOKMJFXFZ-CPCZMJQVSA-N 1 3 246.354 1.632 20 0 BDADHO C[C@H](C1CC1)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931442177 640209011 /nfs/dbraw/zinc/20/90/11/640209011.db2.gz WXQMCOAFURFBBD-KGYLQXTDSA-N 1 3 208.349 1.668 20 0 BDADHO C[C@H](C1CC1)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931442177 640209017 /nfs/dbraw/zinc/20/90/17/640209017.db2.gz WXQMCOAFURFBBD-KGYLQXTDSA-N 1 3 208.349 1.668 20 0 BDADHO Cc1nc(CCN[C@H]2CCC[NH2+]CC2)cs1 ZINC000226313439 640745181 /nfs/dbraw/zinc/74/51/81/640745181.db2.gz GTGQABQOGKMMLP-NSHDSACASA-N 1 3 239.388 1.726 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000228851548 640900400 /nfs/dbraw/zinc/90/04/00/640900400.db2.gz QCFIWQOXKNHPGH-YIYPIFLZSA-N 1 3 246.354 1.880 20 0 BDADHO C[NH2+]CCCN(C)CCCCCCO ZINC000229306738 640944254 /nfs/dbraw/zinc/94/42/54/640944254.db2.gz FFEGGBLVHQZELM-UHFFFAOYSA-N 1 3 202.342 1.080 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000087646993 640955401 /nfs/dbraw/zinc/95/54/01/640955401.db2.gz AWCQCFXGSALNAL-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000087646988 640956420 /nfs/dbraw/zinc/95/64/20/640956420.db2.gz AWCQCFXGSALNAL-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CO[C@@H]1CC[C@@H]1[N@H+](C)CCCN1CCCCC1 ZINC000934119609 641082200 /nfs/dbraw/zinc/08/22/00/641082200.db2.gz XSUPHLNALRFLKJ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCCN1CCCCC1 ZINC000934119609 641082202 /nfs/dbraw/zinc/08/22/02/641082202.db2.gz XSUPHLNALRFLKJ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@]1(CNC[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862861 641100170 /nfs/dbraw/zinc/10/01/70/641100170.db2.gz LTTXGWPKMBSDAC-STQMWFEESA-N 1 3 226.364 1.535 20 0 BDADHO CC[NH+](CC)[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000062967498 641110912 /nfs/dbraw/zinc/11/09/12/641110912.db2.gz KEXQNZMGQDSKHW-CQSZACIVSA-N 1 3 249.358 1.494 20 0 BDADHO CC[NH+](CC)[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000062967499 641111880 /nfs/dbraw/zinc/11/18/80/641111880.db2.gz KEXQNZMGQDSKHW-AWEZNQCLSA-N 1 3 249.358 1.494 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000088169917 641321105 /nfs/dbraw/zinc/32/11/05/641321105.db2.gz GUFDBIKPXNLDRX-DRZSPHRISA-N 1 3 219.332 1.860 20 0 BDADHO CC[C@H](CO)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695175 641401134 /nfs/dbraw/zinc/40/11/34/641401134.db2.gz GDJHPRSMYIERGH-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[NH+](C)CC(C)(C)CNCc1cc[nH]c(=O)c1 ZINC000921470728 642621158 /nfs/dbraw/zinc/62/11/58/642621158.db2.gz KVXCBINSERTKLR-UHFFFAOYSA-N 1 3 237.347 1.465 20 0 BDADHO CCO[C@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000233758462 642691201 /nfs/dbraw/zinc/69/12/01/642691201.db2.gz IPQFVCPWIVBNNA-UWVGGRQHSA-N 1 3 214.353 1.517 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921580679 643613052 /nfs/dbraw/zinc/61/30/52/643613052.db2.gz FPVIZJXWTSZWPK-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CCC[N@H+]1CC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921580679 643613059 /nfs/dbraw/zinc/61/30/59/643613059.db2.gz FPVIZJXWTSZWPK-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CC(C)CC[C@@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923279018 644312528 /nfs/dbraw/zinc/31/25/28/644312528.db2.gz AIMPPMGCONWAMI-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)CC[C@@H](O)C[N@H+](C)C1CCNCC1 ZINC000923279018 644312533 /nfs/dbraw/zinc/31/25/33/644312533.db2.gz AIMPPMGCONWAMI-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)CC[C@@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923279018 644312539 /nfs/dbraw/zinc/31/25/39/644312539.db2.gz AIMPPMGCONWAMI-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000923288741 644324271 /nfs/dbraw/zinc/32/42/71/644324271.db2.gz CEFJUKNVQGSCEX-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CCOCCOCCN[C@](C)(C[NH3+])C(C)C ZINC000923296176 644334678 /nfs/dbraw/zinc/33/46/78/644334678.db2.gz OKTJGRZDGGGRFS-GFCCVEGCSA-N 1 3 232.368 1.003 20 0 BDADHO CCOCCOCCN1CCCC[C@H]1CC[NH3+] ZINC000923352370 644370132 /nfs/dbraw/zinc/37/01/32/644370132.db2.gz DHCGNIVZTSGONR-ZDUSSCGKSA-N 1 3 244.379 1.243 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@H]1N ZINC000923365003 644374555 /nfs/dbraw/zinc/37/45/55/644374555.db2.gz BWLXAWGXSLDHSM-BPLDGKMQSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@H]1N ZINC000923365003 644374556 /nfs/dbraw/zinc/37/45/56/644374556.db2.gz BWLXAWGXSLDHSM-BPLDGKMQSA-N 1 3 248.370 1.259 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@H](O)CC1CCCC1 ZINC000923370716 644380017 /nfs/dbraw/zinc/38/00/17/644380017.db2.gz QJWFYNSOLVJKJP-OLZOCXBDSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)C1(F)F ZINC000923398622 644404034 /nfs/dbraw/zinc/40/40/34/644404034.db2.gz MHLLFVZYWVISIP-UVOCVTCTSA-N 1 3 248.317 1.060 20 0 BDADHO Cc1ccc([C@H](O)CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000923413191 644417528 /nfs/dbraw/zinc/41/75/28/644417528.db2.gz UPKBSCVMWONHMW-NWANDNLSSA-N 1 3 248.370 1.555 20 0 BDADHO CC(C)(C)CCCN1CCNCC[NH2+]CC1 ZINC000923460101 644443605 /nfs/dbraw/zinc/44/36/05/644443605.db2.gz PWAXSOGDFYSRJJ-UHFFFAOYSA-N 1 3 227.396 1.308 20 0 BDADHO CCc1nocc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495161 644462100 /nfs/dbraw/zinc/46/21/00/644462100.db2.gz UQSFFYIFNFYUEG-GHMZBOCLSA-N 1 3 237.347 1.654 20 0 BDADHO CCc1nocc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923495163 644462898 /nfs/dbraw/zinc/46/28/98/644462898.db2.gz UQSFFYIFNFYUEG-QWRGUYRKSA-N 1 3 237.347 1.654 20 0 BDADHO CCOC(=O)[C@H](CC)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496345 644463358 /nfs/dbraw/zinc/46/33/58/644463358.db2.gz HMVDQEBVHKXWBM-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@H]1CC[C@@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515084 644479200 /nfs/dbraw/zinc/47/92/00/644479200.db2.gz CNTRSWCCAVRNNT-RVMXOQNASA-N 1 3 224.348 1.095 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923533743 644490254 /nfs/dbraw/zinc/49/02/54/644490254.db2.gz NWMGTQDHQBMPDY-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923533743 644490255 /nfs/dbraw/zinc/49/02/55/644490255.db2.gz NWMGTQDHQBMPDY-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO CC(C)C[C@H]1CN(C)CCN1C[C@H]1CCC[NH2+]1 ZINC000923554713 644497588 /nfs/dbraw/zinc/49/75/88/644497588.db2.gz OLMKIYZZYSDUMB-KGLIPLIRSA-N 1 3 239.407 1.401 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089150225 644536958 /nfs/dbraw/zinc/53/69/58/644536958.db2.gz QUOUDLOVKUPYAM-QJPTWQEYSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000089150225 644536960 /nfs/dbraw/zinc/53/69/60/644536960.db2.gz QUOUDLOVKUPYAM-QJPTWQEYSA-N 1 3 241.379 1.008 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CC1(F)F ZINC000926738554 645394226 /nfs/dbraw/zinc/39/42/26/645394226.db2.gz ULEQUGXJYXZFMD-FBTJUVTCSA-N 1 3 244.329 1.962 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000925489732 645533279 /nfs/dbraw/zinc/53/32/79/645533279.db2.gz LHKFDQWYPWEFQS-SWLSCSKDSA-N 1 3 247.386 1.983 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCCN[C@@H]1C ZINC000925482926 645909464 /nfs/dbraw/zinc/90/94/64/645909464.db2.gz OWYPPQFXHQHKFM-VHDGCEQUSA-N 1 3 248.370 1.759 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)C1CC1 ZINC000925040398 646165425 /nfs/dbraw/zinc/16/54/25/646165425.db2.gz MJRPKSGFSHLEDU-OWZDMKDPSA-N 1 3 238.375 1.077 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CCCN[C@H]1C ZINC000925475516 646289127 /nfs/dbraw/zinc/28/91/27/646289127.db2.gz UZGXNNUIONDVPQ-AAEUAGOBSA-N 1 3 236.363 1.312 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925482117 646294032 /nfs/dbraw/zinc/29/40/32/646294032.db2.gz LFMXJOLOYSMHDI-QCNOEVLYSA-N 1 3 226.364 1.253 20 0 BDADHO CCC[C@@H](O)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925481689 646295278 /nfs/dbraw/zinc/29/52/78/646295278.db2.gz JEXAOZVHSFTWLV-FVCCEPFGSA-N 1 3 240.391 1.514 20 0 BDADHO CCC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925481689 646295283 /nfs/dbraw/zinc/29/52/83/646295283.db2.gz JEXAOZVHSFTWLV-FVCCEPFGSA-N 1 3 240.391 1.514 20 0 BDADHO CSCCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925503211 646306399 /nfs/dbraw/zinc/30/63/99/646306399.db2.gz INKHWSRYDLFBIO-VWYCJHECSA-N 1 3 228.405 1.716 20 0 BDADHO CSCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925503211 646306401 /nfs/dbraw/zinc/30/64/01/646306401.db2.gz INKHWSRYDLFBIO-VWYCJHECSA-N 1 3 228.405 1.716 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925510337 646308728 /nfs/dbraw/zinc/30/87/28/646308728.db2.gz UZNVRUWGBQKIGY-CHWSQXEVSA-N 1 3 237.391 1.345 20 0 BDADHO CCC(CC)(CCO)CN[C@H]1CCC[NH2+][C@H]1C ZINC000925529201 646317370 /nfs/dbraw/zinc/31/73/70/646317370.db2.gz ZPSMIGWRVYCPKN-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925542807 646324219 /nfs/dbraw/zinc/32/42/19/646324219.db2.gz PKEPFTUTVMOTGB-BNOWGMLFSA-N 1 3 245.370 1.872 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)CN1C1CC1 ZINC000925544278 646325396 /nfs/dbraw/zinc/32/53/96/646325396.db2.gz ZBDDQGOTZYMHOB-XWUBHJNHSA-N 1 3 249.402 1.471 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925550839 646328867 /nfs/dbraw/zinc/32/88/67/646328867.db2.gz DJTQVXPLFCNYQI-SAXRGWBVSA-N 1 3 249.402 1.329 20 0 BDADHO Cc1ccc(CCN[C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925573244 646342351 /nfs/dbraw/zinc/34/23/51/646342351.db2.gz NIWJXHUTAHPWLL-UONOGXRCSA-N 1 3 245.370 1.792 20 0 BDADHO OC[C@H]1CC[C@@H]([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925608314 646358482 /nfs/dbraw/zinc/35/84/82/646358482.db2.gz VUJOJSWPPTVNAQ-XQQFMLRXSA-N 1 3 238.375 1.412 20 0 BDADHO CO[C@@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925645337 646388048 /nfs/dbraw/zinc/38/80/48/646388048.db2.gz PLJSLOUCZBIQGI-USZNOCQGSA-N 1 3 226.364 1.388 20 0 BDADHO CC[C@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925675528 646405506 /nfs/dbraw/zinc/40/55/06/646405506.db2.gz JAPJKLGZXNKPHJ-NDBYEHHHSA-N 1 3 240.391 1.778 20 0 BDADHO C[NH2+]CCN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925696264 646421882 /nfs/dbraw/zinc/42/18/82/646421882.db2.gz YOSPAKIXJPLEBT-SDDRHHMPSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@H](COCC1CC1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925703347 646427800 /nfs/dbraw/zinc/42/78/00/646427800.db2.gz TWKQQWLZSNJJOB-RTXFEEFZSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](COCC1CC1)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925703347 646427805 /nfs/dbraw/zinc/42/78/05/646427805.db2.gz TWKQQWLZSNJJOB-RTXFEEFZSA-N 1 3 238.375 1.661 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2C[C@H](N)C23CCC3)n1 ZINC000925705943 646430641 /nfs/dbraw/zinc/43/06/41/646430641.db2.gz JCELPVSRLWFSRU-STQMWFEESA-N 1 3 246.358 1.187 20 0 BDADHO [NH3+][C@H]1C[C@H](NC[C@@H]2CCCO2)C12CCC2 ZINC000925708753 646432411 /nfs/dbraw/zinc/43/24/11/646432411.db2.gz RXYURRRVNDAPGO-DCAQKATOSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000925708753 646432415 /nfs/dbraw/zinc/43/24/15/646432415.db2.gz RXYURRRVNDAPGO-DCAQKATOSA-N 1 3 210.321 1.025 20 0 BDADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ncc[nH]1 ZINC000925707964 646432831 /nfs/dbraw/zinc/43/28/31/646432831.db2.gz QMGSLDJWOAVFEU-JTQLQIEISA-N 1 3 220.320 1.370 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C12CCC2 ZINC000925726077 646452429 /nfs/dbraw/zinc/45/24/29/646452429.db2.gz PWYVSWQVEBVWLC-XVZUFCMUSA-N 1 3 248.370 1.269 20 0 BDADHO COCC(C)(C)CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925728165 646452753 /nfs/dbraw/zinc/45/27/53/646452753.db2.gz BLYVCSOUDMEAGX-GFCCVEGCSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H](NCc1cc(N)ccn1)[C@@H]1CCCC[NH2+]1 ZINC000925767396 646468726 /nfs/dbraw/zinc/46/87/26/646468726.db2.gz ODZUDMPBMFSUGY-KBPBESRZSA-N 1 3 248.374 1.674 20 0 BDADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925770413 646470456 /nfs/dbraw/zinc/47/04/56/646470456.db2.gz SYOZPSRLIDWIKG-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000925770415 646471227 /nfs/dbraw/zinc/47/12/27/646471227.db2.gz SYOZPSRLIDWIKG-XUXIUFHCSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1CN ZINC000925824478 646497017 /nfs/dbraw/zinc/49/70/17/646497017.db2.gz UDSVGOCJUPCZEO-RBBWPXTMSA-N 1 3 208.349 1.748 20 0 BDADHO CCOCCOCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000925875382 646525327 /nfs/dbraw/zinc/52/53/27/646525327.db2.gz SGQUOXIEFSHSKY-QWHCGFSZSA-N 1 3 244.379 1.017 20 0 BDADHO C[C@H](NC1([C@@H]2CCCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000925893203 646534940 /nfs/dbraw/zinc/53/49/40/646534940.db2.gz MZABUVHNUMVDDI-XQQFMLRXSA-N 1 3 238.375 1.676 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000926259823 646607244 /nfs/dbraw/zinc/60/72/44/646607244.db2.gz QHHHUQAJSWHFGA-VJBQPNPTSA-N 1 3 238.375 1.077 20 0 BDADHO C[C@@H]1COC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000926337989 646619361 /nfs/dbraw/zinc/61/93/61/646619361.db2.gz UUPKGQZVAVAIHC-RYSNWHEDSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)CC[NH+]1CCC(NCCN(C)C)CC1 ZINC000926422635 646635606 /nfs/dbraw/zinc/63/56/06/646635606.db2.gz YPCJEVISICSKDL-UHFFFAOYSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccccn1)CN(C)C ZINC000926476265 646653440 /nfs/dbraw/zinc/65/34/40/646653440.db2.gz ZGLWVQSJUWDBGG-STQMWFEESA-N 1 3 235.375 1.800 20 0 BDADHO Cc1cn(C)nc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000723962529 711548203 /nfs/dbraw/zinc/54/82/03/711548203.db2.gz FNDCHNOBXUNWEQ-LBPRGKRZSA-N 1 3 236.363 1.289 20 0 BDADHO OCC1([NH2+]CCCNC2CC2)CCCC1 ZINC000382547921 711696585 /nfs/dbraw/zinc/69/65/85/711696585.db2.gz AWFHOMRUEITAIL-UHFFFAOYSA-N 1 3 212.337 1.023 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@H]([C@H](C)N)C1)C(C)C ZINC000721913905 711918250 /nfs/dbraw/zinc/91/82/50/711918250.db2.gz QQKQFULMHPWAHT-IHRRRGAJSA-N 1 3 242.407 1.964 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@H]([C@H](C)N)C1)C(C)C ZINC000721913905 711918252 /nfs/dbraw/zinc/91/82/52/711918252.db2.gz QQKQFULMHPWAHT-IHRRRGAJSA-N 1 3 242.407 1.964 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715509178 712524760 /nfs/dbraw/zinc/52/47/60/712524760.db2.gz MIUQNUNEVZQLKV-UBHSHLNASA-N 1 3 238.375 1.615 20 0 BDADHO C[C@H]1OCCN(CCCCCC[NH3+])[C@@H]1C ZINC000380422783 712900801 /nfs/dbraw/zinc/90/08/01/712900801.db2.gz DBSHMNQOHITQCW-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723630071 710730052 /nfs/dbraw/zinc/73/00/52/710730052.db2.gz VSRLDGUYJWPNQZ-QJPTWQEYSA-N 1 3 212.337 1.130 20 0 BDADHO CC[C@H](CCO)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396716768 710907532 /nfs/dbraw/zinc/90/75/32/710907532.db2.gz UEBIIDMRLFSDES-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000382945705 710975875 /nfs/dbraw/zinc/97/58/75/710975875.db2.gz SCJCZKIDQQJNFZ-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cnn(C)c1 ZINC000385419367 711012950 /nfs/dbraw/zinc/01/29/50/711012950.db2.gz XVCQUAMHFIVXPF-NDNKKMJESA-N 1 3 248.374 1.696 20 0 BDADHO CCCN1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000389552609 711080396 /nfs/dbraw/zinc/08/03/96/711080396.db2.gz PNYNUFLOWKQUNB-PMKSJIGOSA-N 1 3 249.402 1.057 20 0 BDADHO CCCN1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000389552610 711080684 /nfs/dbraw/zinc/08/06/84/711080684.db2.gz PNYNUFLOWKQUNB-UQGHGMQMSA-N 1 3 249.402 1.057 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CCCCCCO)C1 ZINC000389611023 711082460 /nfs/dbraw/zinc/08/24/60/711082460.db2.gz DKRWOJPAWDXNLS-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CCCCCCO)C1 ZINC000389611023 711082463 /nfs/dbraw/zinc/08/24/63/711082463.db2.gz DKRWOJPAWDXNLS-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO CC(C)COCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396689086 711365225 /nfs/dbraw/zinc/36/52/25/711365225.db2.gz ZQAMFEGNBYFYKM-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCCCCCO)C[C@@H]1CN ZINC000397302715 711381265 /nfs/dbraw/zinc/38/12/65/711381265.db2.gz LDRXSKAWULCUKC-MCIONIFRSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCO)C[C@@H]1CN ZINC000397302715 711381276 /nfs/dbraw/zinc/38/12/76/711381276.db2.gz LDRXSKAWULCUKC-MCIONIFRSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@H]([NH3+])CC(F)F)O1 ZINC000398124171 711401633 /nfs/dbraw/zinc/40/16/33/711401633.db2.gz SCRGQOYOPGWQAR-HLTSFMKQSA-N 1 3 222.279 1.126 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3c[nH]nc3c2)C1 ZINC000334847923 711718989 /nfs/dbraw/zinc/71/89/89/711718989.db2.gz YELZGBNHXCLKQC-QWHCGFSZSA-N 1 3 244.342 1.922 20 0 BDADHO C[C@H](NC[C@@H]1CC2(CCC2)CO1)[C@H]1CC[NH2+]C1 ZINC000925773971 711745930 /nfs/dbraw/zinc/74/59/30/711745930.db2.gz QTNSXAAHGNNPDG-AVGNSLFASA-N 1 3 238.375 1.533 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925473662 711878689 /nfs/dbraw/zinc/87/86/89/711878689.db2.gz NWXRYPJMMRHPPA-STQMWFEESA-N 1 3 248.374 1.441 20 0 BDADHO CNC[C@H]1CCC[N@@H+]1C[C@@H](COC)C(C)C ZINC000721913694 711918185 /nfs/dbraw/zinc/91/81/85/711918185.db2.gz PNDKXAUZESOYRG-QWHCGFSZSA-N 1 3 228.380 1.589 20 0 BDADHO CNC[C@H]1CCC[N@H+]1C[C@@H](COC)C(C)C ZINC000721913694 711918186 /nfs/dbraw/zinc/91/81/86/711918186.db2.gz PNDKXAUZESOYRG-QWHCGFSZSA-N 1 3 228.380 1.589 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000700793549 712005357 /nfs/dbraw/zinc/00/53/57/712005357.db2.gz RQJOFLPLRWJURF-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](O)CCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702284222 712045004 /nfs/dbraw/zinc/04/50/04/712045004.db2.gz GVLYLCHDPGJTKM-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](O)CCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702284222 712045006 /nfs/dbraw/zinc/04/50/06/712045006.db2.gz GVLYLCHDPGJTKM-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO CC(C)N(C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000703025358 712065265 /nfs/dbraw/zinc/06/52/65/712065265.db2.gz VNAULXVBLAGERC-UHFFFAOYSA-N 1 3 242.407 2.000 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC2CC(OC)C2)C1 ZINC000703867405 712091656 /nfs/dbraw/zinc/09/16/56/712091656.db2.gz WTLMJUDEUHDGMF-HIFPTAJRSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](NC1CCC(C)(O)CC1)[C@H]1CCCC[NH2+]1 ZINC000705832018 712136604 /nfs/dbraw/zinc/13/66/04/712136604.db2.gz SCHLDNKZAPEZQU-RJZJGCCBSA-N 1 3 240.391 1.800 20 0 BDADHO CSC1CC([NH2+]CC[C@H](C)N(C)C)C1 ZINC000706944977 712162837 /nfs/dbraw/zinc/16/28/37/712162837.db2.gz OKTFFCCLHKPPJZ-WHXUTIOJSA-N 1 3 216.394 1.810 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC1(C)C)[NH2+]2 ZINC000709384119 712220641 /nfs/dbraw/zinc/22/06/41/712220641.db2.gz HFLDCHKWMAUOHK-LVEVGFFFSA-N 1 3 208.349 1.904 20 0 BDADHO CN(C)C1(C)CC[NH+](CCCCCO)CC1 ZINC000709773606 712222077 /nfs/dbraw/zinc/22/20/77/712222077.db2.gz RDYWKGYSNDZFMA-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO C[C@H](c1cnccn1)N(C)CCCCCC[NH3+] ZINC000710714766 712255896 /nfs/dbraw/zinc/25/58/96/712255896.db2.gz USLRJRZEDPZUPK-GFCCVEGCSA-N 1 3 236.363 1.989 20 0 BDADHO CC(C)=CCN1CCC(O)(C[NH+](C)C)CC1 ZINC000710641283 712264841 /nfs/dbraw/zinc/26/48/41/712264841.db2.gz HKAQPCDWCDRNTC-UHFFFAOYSA-N 1 3 226.364 1.341 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CCC2(CCC2)O1 ZINC000711428557 712299377 /nfs/dbraw/zinc/29/93/77/712299377.db2.gz ZLWMXYMFTRZHHW-QJPTWQEYSA-N 1 3 238.375 1.804 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711428557 712299379 /nfs/dbraw/zinc/29/93/79/712299379.db2.gz ZLWMXYMFTRZHHW-QJPTWQEYSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@]1(CN2CC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711519708 712308634 /nfs/dbraw/zinc/30/86/34/712308634.db2.gz NAEZQEBNVKTJPY-WDEREUQCSA-N 1 3 200.301 1.277 20 0 BDADHO CC[C@H]1CN(CCOC2CC2)CC[C@@H]1[NH3+] ZINC000711731112 712320020 /nfs/dbraw/zinc/32/00/20/712320020.db2.gz MAERFDKLNGBMDP-JQWIXIFHSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1CC[C@@H](C[N@@H+]2CCNCCC23CCC3)O1 ZINC000713209542 712455278 /nfs/dbraw/zinc/45/52/78/712455278.db2.gz CIKWYQYNKAOPDM-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1CC[C@@H](C[N@H+]2CCNCCC23CCC3)O1 ZINC000713209542 712455279 /nfs/dbraw/zinc/45/52/79/712455279.db2.gz CIKWYQYNKAOPDM-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO CO[C@H]1C[C@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000714722032 712496416 /nfs/dbraw/zinc/49/64/16/712496416.db2.gz HYHXPJGKRGDGJE-ZDEQEGDKSA-N 1 3 226.364 1.532 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCOC1CC1 ZINC000714972384 712502836 /nfs/dbraw/zinc/50/28/36/712502836.db2.gz KSFGOQHIQYPOIP-NSHDSACASA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715236466 712513884 /nfs/dbraw/zinc/51/38/84/712513884.db2.gz RJXSXJAOSDFAJC-RDBSUJKOSA-N 1 3 242.407 2.000 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CC13CC3)[NH2+]2 ZINC000715261515 712514906 /nfs/dbraw/zinc/51/49/06/712514906.db2.gz NSZOAQMJSOMFEC-IYKVGLELSA-N 1 3 206.333 1.658 20 0 BDADHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CO[C@H]1C ZINC000715545846 712527087 /nfs/dbraw/zinc/52/70/87/712527087.db2.gz ZBUPGNDBBNZMEQ-QNSTZXKLSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CO[C@H]1C ZINC000715545846 712527088 /nfs/dbraw/zinc/52/70/88/712527088.db2.gz ZBUPGNDBBNZMEQ-QNSTZXKLSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)C1CNC1 ZINC000717018738 712604683 /nfs/dbraw/zinc/60/46/83/712604683.db2.gz VRBPCDQWUVVBAV-MEWQQHAOSA-N 1 3 208.349 1.620 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOC1CC1 ZINC000717731049 712668177 /nfs/dbraw/zinc/66/81/77/712668177.db2.gz YJBGIECAWTYPCN-LLVKDONJSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCN1C ZINC000719620160 712817092 /nfs/dbraw/zinc/81/70/92/712817092.db2.gz VEWMMZWNKFZYGI-JWURUJNWSA-N 1 3 237.391 1.294 20 0 BDADHO [NH3+]C[C@H]1CN(CC2CCC2)C[C@H]1C(F)(F)F ZINC000720874699 712872652 /nfs/dbraw/zinc/87/26/52/712872652.db2.gz ZDAWAWPBVWRCHG-VHSXEESVSA-N 1 3 236.281 1.856 20 0 BDADHO [NH3+]C[C@@H]1CN(C[C@H]2CCCOC2)CCC1(F)F ZINC000708501076 959525692 /nfs/dbraw/zinc/52/56/92/959525692.db2.gz AWODCCGLOKSNFO-GHMZBOCLSA-N 1 3 248.317 1.329 20 0 BDADHO C[NH2+]CCCN(C)[C@@H]1CC[C@@H](SC)C1 ZINC000309083874 959595257 /nfs/dbraw/zinc/59/52/57/959595257.db2.gz UPDOIUHQJOIIIV-GHMZBOCLSA-N 1 3 216.394 1.812 20 0 BDADHO C[C@@H]([NH3+])CCNc1cc(CN(C)C)ccn1 ZINC001159778687 964192241 /nfs/dbraw/zinc/19/22/41/964192241.db2.gz QZLWMAZRDGBBTK-SNVBAGLBSA-N 1 3 222.336 1.292 20 0 BDADHO CO[C@@H](CNCC[C@@H](C)[NH+](C)C)C1CC1 ZINC000697877178 964603867 /nfs/dbraw/zinc/60/38/67/964603867.db2.gz BBNMJJUTDKYSRG-PWSUYJOCSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H]1CCCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204599271 967097581 /nfs/dbraw/zinc/09/75/81/967097581.db2.gz VKXWOYRCCFYZTO-QWRGUYRKSA-N 1 3 212.337 1.585 20 0 BDADHO Cc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)[nH]n1 ZINC001205545522 967691206 /nfs/dbraw/zinc/69/12/06/967691206.db2.gz IWIWQVDGPAPBNY-LBPRGKRZSA-N 1 3 240.326 1.371 20 0 BDADHO CC[C@H]1COCCN1CC1CC[NH+](CC)CC1 ZINC001208598066 969148268 /nfs/dbraw/zinc/14/82/68/969148268.db2.gz RZVVPJPDDYPEFG-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCC1CCCC1 ZINC001253404383 969160716 /nfs/dbraw/zinc/16/07/16/969160716.db2.gz VALAQSRXEWFDCX-ZDUSSCGKSA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCC1CCCC1 ZINC001253404383 969160722 /nfs/dbraw/zinc/16/07/22/969160722.db2.gz VALAQSRXEWFDCX-ZDUSSCGKSA-N 1 3 242.407 1.905 20 0 BDADHO COC[C@@H](C)N(C(C)C)C(C)(C)C[NH3+] ZINC001255566945 970356232 /nfs/dbraw/zinc/35/62/32/970356232.db2.gz QPGURGKUTMJHML-SNVBAGLBSA-N 1 3 202.342 1.469 20 0 BDADHO C[C@H]1CC[C@H]([NH+]2CCN(CCN(C)C)CC2)C1 ZINC001170125330 970372905 /nfs/dbraw/zinc/37/29/05/970372905.db2.gz KCERQARRUPJYGL-KBPBESRZSA-N 1 3 239.407 1.354 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCCn1ccnc1 ZINC001255940757 970565970 /nfs/dbraw/zinc/56/59/70/970565970.db2.gz GCMCHLPQTFNBCZ-ZDUSSCGKSA-N 1 3 238.379 1.593 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCn1ccnc1 ZINC001255940757 970565983 /nfs/dbraw/zinc/56/59/83/970565983.db2.gz GCMCHLPQTFNBCZ-ZDUSSCGKSA-N 1 3 238.379 1.593 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CO ZINC001255951372 970589243 /nfs/dbraw/zinc/58/92/43/970589243.db2.gz JNMCPZALVMHOHB-IHRRRGAJSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957081 970598483 /nfs/dbraw/zinc/59/84/83/970598483.db2.gz ORXOGGABIHNRAR-XQQFMLRXSA-N 1 3 228.380 1.419 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957081 970598489 /nfs/dbraw/zinc/59/84/89/970598489.db2.gz ORXOGGABIHNRAR-XQQFMLRXSA-N 1 3 228.380 1.419 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC001256207733 970715097 /nfs/dbraw/zinc/71/50/97/970715097.db2.gz PRPZPNUEZDJWFT-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC001256207733 970715102 /nfs/dbraw/zinc/71/51/02/970715102.db2.gz PRPZPNUEZDJWFT-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CCC([NH+]2CCC(N3CCC3)CC2)CC1 ZINC001256214788 970718592 /nfs/dbraw/zinc/71/85/92/970718592.db2.gz MFCDPDVBQRIMDU-UHFFFAOYSA-N 1 3 237.391 1.251 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1CO[C@@H](C)C1 ZINC000401903150 970742769 /nfs/dbraw/zinc/74/27/69/970742769.db2.gz GGAYTNXSAWBLQV-OUAUKWLOSA-N 1 3 200.326 1.094 20 0 BDADHO CCN1CC[C@H]([N@H+](C)C2CCN(C)CC2)C1 ZINC001173356355 975314527 /nfs/dbraw/zinc/31/45/27/975314527.db2.gz HDZDQVUFPCBWLM-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CC[C@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC001173356355 975314533 /nfs/dbraw/zinc/31/45/33/975314533.db2.gz HDZDQVUFPCBWLM-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981942 979261816 /nfs/dbraw/zinc/26/18/16/979261816.db2.gz YTHXTMGTBJRFLD-ZYHUDNBSSA-N 1 3 222.357 1.714 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981942 979261823 /nfs/dbraw/zinc/26/18/23/979261823.db2.gz YTHXTMGTBJRFLD-ZYHUDNBSSA-N 1 3 222.357 1.714 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001342161763 979682925 /nfs/dbraw/zinc/68/29/25/979682925.db2.gz YRGQPECMSUKHGD-USZNOCQGSA-N 1 3 241.379 1.088 20 0 BDADHO NC[C@@]12CC[C@H]1CC[N@H+]2CCOCC1CC1 ZINC001352777524 982573778 /nfs/dbraw/zinc/57/37/78/982573778.db2.gz GVIAQHWVIZPAPM-STQMWFEESA-N 1 3 224.348 1.226 20 0 BDADHO CCCC[C@H](O)C[NH2+]CCCN1CCCC1 ZINC001252078498 983304589 /nfs/dbraw/zinc/30/45/89/983304589.db2.gz SJURHQHLFNPSHE-ZDUSSCGKSA-N 1 3 228.380 1.613 20 0 BDADHO CCCC[C@H](O)CNCCC[NH+]1CCCC1 ZINC001252078498 983304592 /nfs/dbraw/zinc/30/45/92/983304592.db2.gz SJURHQHLFNPSHE-ZDUSSCGKSA-N 1 3 228.380 1.613 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001354424494 983305692 /nfs/dbraw/zinc/30/56/92/983305692.db2.gz QKHZUYRNMQNLTK-USZNOCQGSA-N 1 3 241.379 1.007 20 0 BDADHO [NH3+]C[C@@H]1CN([C@H]2CCCOCC2)CCC1(F)F ZINC001246553704 972744999 /nfs/dbraw/zinc/74/49/99/972744999.db2.gz BXTBTPLJROKTBQ-MNOVXSKESA-N 1 3 248.317 1.471 20 0 BDADHO CC(C)(C)[NH+]1CCC(N2CCC[C@H]2CO)CC1 ZINC001256570121 970867855 /nfs/dbraw/zinc/86/78/55/970867855.db2.gz YLCYJVAKINJUOH-ZDUSSCGKSA-N 1 3 240.391 1.706 20 0 BDADHO Cc1cc(CN)nn1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614219 970878820 /nfs/dbraw/zinc/87/88/20/970878820.db2.gz IUGGRRBKYJKYMO-FUNVUKJBSA-N 1 3 234.347 1.448 20 0 BDADHO Cc1cc(CN)nn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614219 970878827 /nfs/dbraw/zinc/87/88/27/970878827.db2.gz IUGGRRBKYJKYMO-FUNVUKJBSA-N 1 3 234.347 1.448 20 0 BDADHO C[C@@H]1COCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621876 970887371 /nfs/dbraw/zinc/88/73/71/970887371.db2.gz ASGGRXGJFFICMH-ICIURTGMSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@@H]1COCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621876 970887374 /nfs/dbraw/zinc/88/73/74/970887374.db2.gz ASGGRXGJFFICMH-ICIURTGMSA-N 1 3 238.375 1.580 20 0 BDADHO [NH3+]C[C@H]1CN(CC2CCOCC2)CCC1(F)F ZINC000403217078 970895794 /nfs/dbraw/zinc/89/57/94/970895794.db2.gz GWUWZQMOOXQEKH-NSHDSACASA-N 1 3 248.317 1.329 20 0 BDADHO C[C@H](Cc1ccncc1)NC(C)(C)C[NH3+] ZINC001256719458 970936377 /nfs/dbraw/zinc/93/63/77/970936377.db2.gz PYCKHVUOMBMCSB-SNVBAGLBSA-N 1 3 207.321 1.340 20 0 BDADHO CC[C@@H](C)C[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130203305 970948159 /nfs/dbraw/zinc/94/81/59/970948159.db2.gz IYEYQJWSIWRJFZ-VXGBXAGGSA-N 1 3 243.395 1.079 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([N@H+](CCCN)C(C)C)C1 ZINC001170503096 971002492 /nfs/dbraw/zinc/00/24/92/971002492.db2.gz BZPVGYLNGQRKAM-VXGBXAGGSA-N 1 3 242.363 1.387 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([N@@H+](CCCN)C(C)C)C1 ZINC001170503096 971002496 /nfs/dbraw/zinc/00/24/96/971002496.db2.gz BZPVGYLNGQRKAM-VXGBXAGGSA-N 1 3 242.363 1.387 20 0 BDADHO C[C@@H](Nc1cc[nH+]c(C2CC2)c1)[C@H]1CNCCO1 ZINC001170572878 971225755 /nfs/dbraw/zinc/22/57/55/971225755.db2.gz IERDNVBDSXRSTD-QMTHXVAHSA-N 1 3 247.342 1.748 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)C12CCC2 ZINC000405304292 971231107 /nfs/dbraw/zinc/23/11/07/971231107.db2.gz KARTVPBTSNJGLQ-IJLUTSLNSA-N 1 3 222.332 1.539 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCC=CO2)C12CCC2 ZINC000405304292 971231115 /nfs/dbraw/zinc/23/11/15/971231115.db2.gz KARTVPBTSNJGLQ-IJLUTSLNSA-N 1 3 222.332 1.539 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)CS1 ZINC000405340836 971234741 /nfs/dbraw/zinc/23/47/41/971234741.db2.gz CQESVXYMOQMUQZ-LMLFDSFASA-N 1 3 226.389 1.740 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCSC2)C12CCC2 ZINC000405329050 971235408 /nfs/dbraw/zinc/23/54/08/971235408.db2.gz VVGDBELJSZAWST-AEJSXWLSSA-N 1 3 212.362 1.351 20 0 BDADHO CCOC[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405367893 971244744 /nfs/dbraw/zinc/24/47/44/971244744.db2.gz XKSQQNMFCBFHHL-AXFHLTTASA-N 1 3 212.337 1.271 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405367893 971244751 /nfs/dbraw/zinc/24/47/51/971244751.db2.gz XKSQQNMFCBFHHL-AXFHLTTASA-N 1 3 212.337 1.271 20 0 BDADHO CCCCOCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405394007 971249767 /nfs/dbraw/zinc/24/97/67/971249767.db2.gz HRJBIIZPVRJZOA-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO COC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)C(C)C ZINC000405444210 971252402 /nfs/dbraw/zinc/25/24/02/971252402.db2.gz WDSVYIBCCRMXOU-SDDRHHMPSA-N 1 3 226.364 1.517 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)C12CCC2 ZINC000405451324 971260984 /nfs/dbraw/zinc/26/09/84/971260984.db2.gz GQUZGEBJLIPHQK-UTUOFQBUSA-N 1 3 224.348 1.007 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@@H]1OC[C@H]1COC(C)(C)N1 ZINC001217782518 971404477 /nfs/dbraw/zinc/40/44/77/971404477.db2.gz VXBQVYGPEJSLGZ-WOPDTQHZSA-N 1 3 242.363 1.116 20 0 BDADHO c1cc2c(c(O[C@H]3CCC[NH2+]CC3)c1)CNC2 ZINC001217996924 971566279 /nfs/dbraw/zinc/56/62/79/971566279.db2.gz NDHWNHXNYXZRDB-LBPRGKRZSA-N 1 3 232.327 1.811 20 0 BDADHO CC[C@@H](C)C[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133962426 971629011 /nfs/dbraw/zinc/62/90/11/971629011.db2.gz IYEYQJWSIWRJFZ-NEPJUHHUSA-N 1 3 243.395 1.079 20 0 BDADHO N[C@@H]1CC[N@H+](Cc2ccc[nH]2)CC[C@H]1F ZINC001206155592 974328159 /nfs/dbraw/zinc/32/81/59/974328159.db2.gz MODYWXHOCALZML-GHMZBOCLSA-N 1 3 211.284 1.276 20 0 BDADHO N[C@@H]1CC[N@@H+](Cc2ccc[nH]2)CC[C@H]1F ZINC001206155592 974328165 /nfs/dbraw/zinc/32/81/65/974328165.db2.gz MODYWXHOCALZML-GHMZBOCLSA-N 1 3 211.284 1.276 20 0 BDADHO COC(C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)OC ZINC001172106245 974367765 /nfs/dbraw/zinc/36/77/65/974367765.db2.gz OBONQEUZCLWXCO-CNDDSTCGSA-N 1 3 242.363 1.210 20 0 BDADHO c1cc2c(c(O[C@H]3C[NH2+]CCC34CC4)c1)CNC2 ZINC001218404931 971779833 /nfs/dbraw/zinc/77/98/33/971779833.db2.gz PQZZOHKXLUEJPA-AWEZNQCLSA-N 1 3 244.338 1.811 20 0 BDADHO CC(C)[N@H+](CCCN)[C@@H]1CCCOCC1 ZINC001170777325 971803769 /nfs/dbraw/zinc/80/37/69/971803769.db2.gz ZFMHHQOEHBXJFW-GFCCVEGCSA-N 1 3 214.353 1.615 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@@H]1CCCOCC1 ZINC001170777325 971803777 /nfs/dbraw/zinc/80/37/77/971803777.db2.gz ZFMHHQOEHBXJFW-GFCCVEGCSA-N 1 3 214.353 1.615 20 0 BDADHO c1cc2c(c(O[C@@H]3CC[C@H]4C[NH2+]C[C@@H]43)c1)CNC2 ZINC001218458804 971823804 /nfs/dbraw/zinc/82/38/04/971823804.db2.gz DJWJVEZUXOTIMI-CORIIIEPSA-N 1 3 244.338 1.667 20 0 BDADHO CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706385 971967025 /nfs/dbraw/zinc/96/70/25/971967025.db2.gz UBHJXEUASMHGRI-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218997437 971972016 /nfs/dbraw/zinc/97/20/16/971972016.db2.gz UNQGAJXUJITZQA-MWLCHTKSSA-N 1 3 233.315 1.049 20 0 BDADHO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001172346386 974613922 /nfs/dbraw/zinc/61/39/22/974613922.db2.gz ZLNPAKANVIFXSE-QYNFOATHSA-N 1 3 214.353 1.659 20 0 BDADHO CC[C@@H](C)OCC[C@@H](C)NC1CC([NH3+])C1 ZINC001172346386 974613925 /nfs/dbraw/zinc/61/39/25/974613925.db2.gz ZLNPAKANVIFXSE-QYNFOATHSA-N 1 3 214.353 1.659 20 0 BDADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135979612 972016554 /nfs/dbraw/zinc/01/65/54/972016554.db2.gz HRGVDTKRNSJWLI-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO COc1ccc(N[C@H](N)CCC[NH3+])c(C)c1 ZINC001170899744 972062597 /nfs/dbraw/zinc/06/25/97/972062597.db2.gz MCKWINKTOMGRKV-LBPRGKRZSA-N 1 3 223.320 1.439 20 0 BDADHO C=Cc1cccc(N[C@H](N)CCC[NH3+])c1 ZINC001170900383 972064915 /nfs/dbraw/zinc/06/49/15/972064915.db2.gz SZFUMXURXXAULX-LBPRGKRZSA-N 1 3 205.305 1.765 20 0 BDADHO CNc1cccc(N[C@@H](N)CCC[NH3+])c1C ZINC001170907149 972080626 /nfs/dbraw/zinc/08/06/26/972080626.db2.gz ZYTIADUAHGFFHB-GFCCVEGCSA-N 1 3 222.336 1.472 20 0 BDADHO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCCCNC1 ZINC001246089908 972143905 /nfs/dbraw/zinc/14/39/05/972143905.db2.gz HREBXWNLHXCXHK-NWDGAFQWSA-N 1 3 222.332 1.942 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCCN(C)C2)[NH2+]C1 ZINC001246111287 972175061 /nfs/dbraw/zinc/17/50/61/972175061.db2.gz JATSZAKHKONSFN-UPJWGTAASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246140152 972192832 /nfs/dbraw/zinc/19/28/32/972192832.db2.gz ZFZFCYXPTUHIIO-GSZZWUTPSA-N 1 3 238.375 1.388 20 0 BDADHO CN(C)c1ccnc(NCC(C)(C)[NH3+])c1 ZINC001160032551 972208832 /nfs/dbraw/zinc/20/88/32/972208832.db2.gz WGMYJQCMJWYIEW-UHFFFAOYSA-N 1 3 208.309 1.297 20 0 BDADHO C[C@H](C[NH3+])CN(C)[C@H]1COC(C)(C)C1 ZINC000396634014 957093639 /nfs/dbraw/zinc/09/36/39/957093639.db2.gz HCDDZNXYCUXHCB-NXEZZACHSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCc2cccnc2)CCN1 ZINC001246241595 972247262 /nfs/dbraw/zinc/24/72/62/972247262.db2.gz YPECKYMHGRHDCV-GXTWGEPZSA-N 1 3 233.359 1.744 20 0 BDADHO CCC[C@H](N)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775008 972258562 /nfs/dbraw/zinc/25/85/62/972258562.db2.gz DRTSZJNXVSGRKF-UHTWSYAYSA-N 1 3 239.363 1.034 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001209426999 957446574 /nfs/dbraw/zinc/44/65/74/957446574.db2.gz HAIBRSPHLRUTQB-VXGBXAGGSA-N 1 3 208.349 1.670 20 0 BDADHO C[C@H]([NH3+])CCN[C@H]1Cc2cccc(F)c2C1 ZINC001246307307 972271578 /nfs/dbraw/zinc/27/15/78/972271578.db2.gz WIUFENGXCXXDNH-ONGXEEELSA-N 1 3 222.307 1.620 20 0 BDADHO C1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]12CCCOC2 ZINC001246466513 972339049 /nfs/dbraw/zinc/33/90/49/972339049.db2.gz QSJAYYBKOIMLOX-YJBUHQLJSA-N 1 3 236.359 1.428 20 0 BDADHO C1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]12CCCOC2 ZINC001246466489 972339719 /nfs/dbraw/zinc/33/97/19/972339719.db2.gz QSJAYYBKOIMLOX-QZQCMHJZSA-N 1 3 236.359 1.428 20 0 BDADHO CC1CCN(CCN[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004415 958483960 /nfs/dbraw/zinc/48/39/60/958483960.db2.gz WCPNRRKYOVUOTC-KGLIPLIRSA-N 1 3 239.407 1.448 20 0 BDADHO CC(C)[C@H](CCO)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033064 958492093 /nfs/dbraw/zinc/49/20/93/958492093.db2.gz MWOJHBNFDJKCPG-WOPDTQHZSA-N 1 3 214.353 1.124 20 0 BDADHO C[NH+](C)CC(C)(C)CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001207282948 958873822 /nfs/dbraw/zinc/87/38/22/958873822.db2.gz RDWHOPKHJKWYII-CNDDSTCGSA-N 1 3 228.355 1.722 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001327072202 972388359 /nfs/dbraw/zinc/38/83/59/972388359.db2.gz GAVWVOHCNFVVGT-GFCCVEGCSA-N 1 3 249.358 1.135 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222237452 972415316 /nfs/dbraw/zinc/41/53/16/972415316.db2.gz KGUGHEALFLOMLP-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222237452 972415324 /nfs/dbraw/zinc/41/53/24/972415324.db2.gz KGUGHEALFLOMLP-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222237452 972415330 /nfs/dbraw/zinc/41/53/30/972415330.db2.gz KGUGHEALFLOMLP-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@]1(N)CC[N@@H+](CCC2CCOCC2)C1 ZINC000405791892 959514644 /nfs/dbraw/zinc/51/46/44/959514644.db2.gz LHVAHYBVBNRBMS-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(N)CC[N@H+](CCC2CCOCC2)C1 ZINC000405791892 959514640 /nfs/dbraw/zinc/51/46/40/959514640.db2.gz LHVAHYBVBNRBMS-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@H]1CN(CCCC(F)(F)F)C[C@H]1C[NH3+] ZINC000708861277 959985877 /nfs/dbraw/zinc/98/58/77/959985877.db2.gz GRFFOJIRNBRYAO-DTWKUNHWSA-N 1 3 224.270 1.856 20 0 BDADHO N=C(Nc1ccnc(C2CC2)c1)SCC[NH3+] ZINC001167913573 960093111 /nfs/dbraw/zinc/09/31/11/960093111.db2.gz ZKUKLFLILRMUPF-UHFFFAOYSA-N 1 3 236.344 1.998 20 0 BDADHO CC/C=C\CCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492203 972518638 /nfs/dbraw/zinc/51/86/38/972518638.db2.gz RBNWMSQZNBJCHF-NMEQGOOXSA-N 1 3 237.391 1.369 20 0 BDADHO O[C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709489812 960623336 /nfs/dbraw/zinc/62/33/36/960623336.db2.gz VWCCZKQAOTVBCE-KTCIRNNBSA-N 1 3 224.348 1.163 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cnco3)CC2)CC1 ZINC001140933886 960718207 /nfs/dbraw/zinc/71/82/07/960718207.db2.gz LBXUTHMQFMYZJK-UHFFFAOYSA-N 1 3 249.358 1.982 20 0 BDADHO Cc1ccncc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001141047975 960837277 /nfs/dbraw/zinc/83/72/77/960837277.db2.gz CHVYAVASQZBDOT-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1ccncc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001141047975 960837281 /nfs/dbraw/zinc/83/72/81/960837281.db2.gz CHVYAVASQZBDOT-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO [NH2+]=CNc1ccc2c(c1)COC21CNC1 ZINC001167867140 961354161 /nfs/dbraw/zinc/35/41/61/961354161.db2.gz HOQGHSIANIWHJG-UHFFFAOYSA-N 1 3 203.245 1.034 20 0 BDADHO [NH3+]C[C@H]1CCCCN(Cc2n[nH]c3c2CCC3)C1 ZINC001206633079 962149758 /nfs/dbraw/zinc/14/97/58/962149758.db2.gz SMIQQNWLXUNBMZ-LLVKDONJSA-N 1 3 248.374 1.459 20 0 BDADHO Nc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154973851 962927172 /nfs/dbraw/zinc/92/71/72/962927172.db2.gz AJXWXNJMEAISBR-DTWKUNHWSA-N 1 3 206.293 1.346 20 0 BDADHO Cc1cc(C)nc(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001155461381 963083914 /nfs/dbraw/zinc/08/39/14/963083914.db2.gz DALDMBNOLSPQRH-GFCCVEGCSA-N 1 3 247.342 1.489 20 0 BDADHO CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)N(C)C ZINC001482331388 963140612 /nfs/dbraw/zinc/14/06/12/963140612.db2.gz QEDCCDOEHMEIQE-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO CN(C)Cc1ccnc(N[C@H]2CC[N@H+](C)C2)c1 ZINC001156581319 963393573 /nfs/dbraw/zinc/39/35/73/963393573.db2.gz KBFYEWCXZHWATH-LBPRGKRZSA-N 1 3 234.347 1.259 20 0 BDADHO CN(C)Cc1ccnc(N[C@H]2CC[N@@H+](C)C2)c1 ZINC001156581319 963393582 /nfs/dbraw/zinc/39/35/82/963393582.db2.gz KBFYEWCXZHWATH-LBPRGKRZSA-N 1 3 234.347 1.259 20 0 BDADHO Cc1nc(N2C[C@@H]3C[NH2+][C@@H]3C2)cc2[nH]ccc21 ZINC001157624260 963684793 /nfs/dbraw/zinc/68/47/93/963684793.db2.gz WBZGXGHOOQJURH-JOYOIKCWSA-N 1 3 228.299 1.279 20 0 BDADHO CCO[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000697084294 963709723 /nfs/dbraw/zinc/70/97/23/963709723.db2.gz KLMSTXOEELMORI-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCC1(Nc2cc(N)c(C)cn2)C[NH2+]C1 ZINC001157784918 963725254 /nfs/dbraw/zinc/72/52/54/963725254.db2.gz PQSRFMORWAKFTK-UHFFFAOYSA-N 1 3 206.293 1.136 20 0 BDADHO CN(C)c1cccc(N2CC[C@@](F)(C[NH3+])C2)n1 ZINC001157809994 963733945 /nfs/dbraw/zinc/73/39/45/963733945.db2.gz VMNWATWKVKBFEQ-GFCCVEGCSA-N 1 3 238.310 1.025 20 0 BDADHO Cc1cnc(N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1N ZINC001158176486 963819938 /nfs/dbraw/zinc/81/99/38/963819938.db2.gz GCBGNFKHURXUFZ-AOOOYVTPSA-N 1 3 220.320 1.159 20 0 BDADHO CC1(Nc2ccc3c(n2)CNCC3)CC[NH2+]CC1 ZINC001168183592 963939745 /nfs/dbraw/zinc/93/97/45/963939745.db2.gz HPLWZQIZDNVTME-UHFFFAOYSA-N 1 3 246.358 1.281 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCSC2)CC1 ZINC000725661330 964227649 /nfs/dbraw/zinc/22/76/49/964227649.db2.gz MJYXLKQMIYFGTB-GHMZBOCLSA-N 1 3 214.378 1.695 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC000725661330 964227664 /nfs/dbraw/zinc/22/76/64/964227664.db2.gz MJYXLKQMIYFGTB-GHMZBOCLSA-N 1 3 214.378 1.695 20 0 BDADHO Cc1cc(CN)nn1C1CCC([NH+](C)C)CC1 ZINC001168295023 964389318 /nfs/dbraw/zinc/38/93/18/964389318.db2.gz PGWPZGCVWIAJST-UHFFFAOYSA-N 1 3 236.363 1.696 20 0 BDADHO CC(=O)CN(C)C1CCC([NH+](C)C)CC1 ZINC001168315311 964426479 /nfs/dbraw/zinc/42/64/79/964426479.db2.gz UJKXCXOPFQKGMB-UHFFFAOYSA-N 1 3 212.337 1.380 20 0 BDADHO CN(Cc1ccno1)C1CCC([NH+](C)C)CC1 ZINC001168329437 964458506 /nfs/dbraw/zinc/45/85/06/964458506.db2.gz UCZZXMXEDMOKMV-UHFFFAOYSA-N 1 3 237.347 1.979 20 0 BDADHO NCc1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168355994 964512469 /nfs/dbraw/zinc/51/24/69/964512469.db2.gz IGPCBRHQBCGCIS-UHFFFAOYSA-N 1 3 234.347 1.389 20 0 BDADHO C[C@H](CCN[C@H]1CCCOC1)[NH+](C)C ZINC000697868665 964594624 /nfs/dbraw/zinc/59/46/24/964594624.db2.gz CKBDQJSXAUQJJZ-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000697910336 964677351 /nfs/dbraw/zinc/67/73/51/964677351.db2.gz SUQWLCYSIBQAJU-YNEHKIRRSA-N 1 3 228.380 1.874 20 0 BDADHO NCc1cn(-c2ccc([C@@H]3CCC[NH2+]3)cn2)cn1 ZINC001162296981 964915397 /nfs/dbraw/zinc/91/53/97/964915397.db2.gz SACHEJDWJZRDKI-LBPRGKRZSA-N 1 3 243.314 1.151 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1Nc1c[nH]cc2ccnc1-2 ZINC001162677819 965108633 /nfs/dbraw/zinc/10/86/33/965108633.db2.gz QWASRCOAAZHHSN-PSASIEDQSA-N 1 3 216.288 1.725 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1Nc1cncc2cc[nH]c21 ZINC001162677819 965108639 /nfs/dbraw/zinc/10/86/39/965108639.db2.gz QWASRCOAAZHHSN-PSASIEDQSA-N 1 3 216.288 1.725 20 0 BDADHO Cc1c(N)cc[nH+]c1N[C@H]1CN2CCC1CC2 ZINC001163385552 965385671 /nfs/dbraw/zinc/38/56/71/965385671.db2.gz AWJCBNDNLNIIMH-LBPRGKRZSA-N 1 3 232.331 1.478 20 0 BDADHO [NH3+]CC1(N[C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168422402 965394874 /nfs/dbraw/zinc/39/48/74/965394874.db2.gz WRMPVBHJIMMLHN-CYBMUJFWSA-N 1 3 234.318 1.764 20 0 BDADHO C[C@H]1CC[C@H](C[NH3+])N(c2cc(N)ccn2)C1 ZINC001164063298 965723631 /nfs/dbraw/zinc/72/36/31/965723631.db2.gz RJXPLFMVDJJYSF-GXSJLCMTSA-N 1 3 220.320 1.227 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000699500005 965920113 /nfs/dbraw/zinc/92/01/13/965920113.db2.gz ZOPDAKVBMZWGOL-RFGFWPKPSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000699500005 965920125 /nfs/dbraw/zinc/92/01/25/965920125.db2.gz ZOPDAKVBMZWGOL-RFGFWPKPSA-N 1 3 238.375 1.628 20 0 BDADHO Cc1nc(N2CC[C@@H]3[NH2+]CC[C@H]32)cc2[nH]ccc21 ZINC001165299684 966039327 /nfs/dbraw/zinc/03/93/27/966039327.db2.gz PWZZEARYYFBLQT-WCQYABFASA-N 1 3 242.326 1.812 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1cccc(O)c1)CC2 ZINC001203864127 966802384 /nfs/dbraw/zinc/80/23/84/966802384.db2.gz PBJPITSWKMMYNV-UHFFFAOYSA-N 1 3 246.354 1.920 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC001204076483 966882349 /nfs/dbraw/zinc/88/23/49/966882349.db2.gz XWJAPZASTCOOKD-UHFFFAOYSA-N 1 3 231.343 1.609 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1cccnc1)CC2 ZINC001204076483 966882351 /nfs/dbraw/zinc/88/23/51/966882351.db2.gz XWJAPZASTCOOKD-UHFFFAOYSA-N 1 3 231.343 1.609 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1ccc(O)cc1)CC2 ZINC001204097177 966895709 /nfs/dbraw/zinc/89/57/09/966895709.db2.gz SIXJRSFJYBNZHA-UHFFFAOYSA-N 1 3 246.354 1.920 20 0 BDADHO COc1cc(CN2CCC(C[NH3+])CC2)ccn1 ZINC001205033368 967219656 /nfs/dbraw/zinc/21/96/56/967219656.db2.gz CSLJFMGZJKXOLN-UHFFFAOYSA-N 1 3 235.331 1.261 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccns2)CC1 ZINC001205582743 967704857 /nfs/dbraw/zinc/70/48/57/967704857.db2.gz YMKPNWPQTPSUPH-LLVKDONJSA-N 1 3 243.351 1.796 20 0 BDADHO C[C@@H]1CCN(Cc2cn(C)cn2)CC[C@@H]1C[NH3+] ZINC001205602639 967718810 /nfs/dbraw/zinc/71/88/10/967718810.db2.gz KUCNJDUXZGVSEK-VXGBXAGGSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@H]1CCN(Cc2cn(C)cn2)CC[C@H]1C[NH3+] ZINC001205602638 967721071 /nfs/dbraw/zinc/72/10/71/967721071.db2.gz KUCNJDUXZGVSEK-RYUDHWBXSA-N 1 3 236.363 1.227 20 0 BDADHO CC1(C)[NH2+]C[C@@H](CN2CCC[C@@](C)(F)CC2)O1 ZINC001205855874 967856725 /nfs/dbraw/zinc/85/67/25/967856725.db2.gz PYPHTWAFXCCOBP-WCQYABFASA-N 1 3 244.354 1.925 20 0 BDADHO C[C@@H]1[C@H](CN)CCC[N@@H+]1CCCCCO ZINC001205902253 967881091 /nfs/dbraw/zinc/88/10/91/967881091.db2.gz JIMWHUVPZNFNAP-NEPJUHHUSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@@H]1[C@H](CN)CCC[N@H+]1CCCCCO ZINC001205902253 967881094 /nfs/dbraw/zinc/88/10/94/967881094.db2.gz JIMWHUVPZNFNAP-NEPJUHHUSA-N 1 3 214.353 1.208 20 0 BDADHO Cc1ncc(CN2CCCC[C@@](C)(C[NH3+])C2)[nH]1 ZINC001206564943 968386919 /nfs/dbraw/zinc/38/69/19/968386919.db2.gz RXASDUHFOHWJEQ-ZDUSSCGKSA-N 1 3 236.363 1.669 20 0 BDADHO CC1(C)OC[C@H](CN2CCCC[C@@H](C[NH3+])C2)O1 ZINC001206606102 968415838 /nfs/dbraw/zinc/41/58/38/968415838.db2.gz DIRMFSJZROGXPV-RYUDHWBXSA-N 1 3 242.363 1.199 20 0 BDADHO N[C@@H]1CN(CCC2CC[NH2+]CC2)CCC1(F)F ZINC001206649259 968428476 /nfs/dbraw/zinc/42/84/76/968428476.db2.gz RZSQLQHALNISMT-LLVKDONJSA-N 1 3 247.333 1.044 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CC[C@](C)(O)C1 ZINC001207279329 968713071 /nfs/dbraw/zinc/71/30/71/968713071.db2.gz KPLVWTPLDFOXGG-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H]1CC[N@H+](CC2CCN(C)CC2)CCC1=O ZINC001207395930 968751797 /nfs/dbraw/zinc/75/17/97/968751797.db2.gz ZSISFTMGHAOGAF-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1CC[N@@H+](CC2CCN(C)CC2)CCC1=O ZINC001207395930 968751805 /nfs/dbraw/zinc/75/18/05/968751805.db2.gz ZSISFTMGHAOGAF-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[NH+]1CCC(CCN2CC(C(F)F)C2)CC1 ZINC001207489212 968803782 /nfs/dbraw/zinc/80/37/82/968803782.db2.gz VJWBZYXAFWJWDP-UHFFFAOYSA-N 1 3 232.318 1.915 20 0 BDADHO Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)cc(N(C)C)n1 ZINC001154977084 968828807 /nfs/dbraw/zinc/82/88/07/968828807.db2.gz MSYOQEOMOKVPJY-QWRGUYRKSA-N 1 3 249.362 1.533 20 0 BDADHO C[NH+]1CCC(C)(CN2C[C@@H](F)C[C@H]2CO)CC1 ZINC001208108333 969001093 /nfs/dbraw/zinc/00/10/93/969001093.db2.gz SQWJRECOFDKQHP-RYUDHWBXSA-N 1 3 244.354 1.123 20 0 BDADHO COC[C@@H]1CC[N@@H+]1CC1(CN(C)C)CCCC1 ZINC001208189044 969118987 /nfs/dbraw/zinc/11/89/87/969118987.db2.gz PUMSRAHUSXEJMA-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H]1CC[N@H+]1CC1(CN(C)C)CCCC1 ZINC001208189044 969118995 /nfs/dbraw/zinc/11/89/95/969118995.db2.gz PUMSRAHUSXEJMA-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CCC(F)CC1 ZINC001253384548 969149620 /nfs/dbraw/zinc/14/96/20/969149620.db2.gz YEFGGRXZGCPFKQ-MCIGGMRASA-N 1 3 246.370 1.606 20 0 BDADHO CCCN1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208608072 969161896 /nfs/dbraw/zinc/16/18/96/969161896.db2.gz FOMWXBHLKWYDJO-AWEZNQCLSA-N 1 3 239.407 1.356 20 0 BDADHO CCCN1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608072 969161899 /nfs/dbraw/zinc/16/18/99/969161899.db2.gz FOMWXBHLKWYDJO-AWEZNQCLSA-N 1 3 239.407 1.356 20 0 BDADHO C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253412836 969167419 /nfs/dbraw/zinc/16/74/19/969167419.db2.gz UJHYMOWOMCJTGE-UTUOFQBUSA-N 1 3 242.407 1.760 20 0 BDADHO NCc1cc(N(CC[NH3+])c2cccnc2)ccn1 ZINC001168837338 969231644 /nfs/dbraw/zinc/23/16/44/969231644.db2.gz ZKEMXMGAHMPYIY-UHFFFAOYSA-N 1 3 243.314 1.032 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883887 969278103 /nfs/dbraw/zinc/27/81/03/969278103.db2.gz APNOEQOYDLJJCB-MJBXVCDLSA-N 1 3 236.359 1.563 20 0 BDADHO CCN1C[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883887 969278112 /nfs/dbraw/zinc/27/81/12/969278112.db2.gz APNOEQOYDLJJCB-MJBXVCDLSA-N 1 3 236.359 1.563 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883884 969279050 /nfs/dbraw/zinc/27/90/50/969279050.db2.gz APNOEQOYDLJJCB-HZSPNIEDSA-N 1 3 236.359 1.563 20 0 BDADHO CCN1C[C@@H]2C[N@H+](C[C@H]3CCC=CO3)C[C@@H]2C1 ZINC001208883884 969279052 /nfs/dbraw/zinc/27/90/52/969279052.db2.gz APNOEQOYDLJJCB-HZSPNIEDSA-N 1 3 236.359 1.563 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)C2 ZINC001169099158 969394245 /nfs/dbraw/zinc/39/42/45/969394245.db2.gz OHXFURQORISAIS-XYYAHUGASA-N 1 3 247.342 1.502 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1nccc1CN)C2 ZINC001169077866 969396162 /nfs/dbraw/zinc/39/61/62/969396162.db2.gz AVFRMBNICLJBQO-PEGIJTEDSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1nccc1CN)C2 ZINC001169077866 969396157 /nfs/dbraw/zinc/39/61/57/969396157.db2.gz AVFRMBNICLJBQO-PEGIJTEDSA-N 1 3 220.320 1.140 20 0 BDADHO CCOC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078814 969396815 /nfs/dbraw/zinc/39/68/15/969396815.db2.gz HJZNGJSDFCOVAD-ZSBIGDGJSA-N 1 3 240.347 1.154 20 0 BDADHO CCOC(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078814 969396820 /nfs/dbraw/zinc/39/68/20/969396820.db2.gz HJZNGJSDFCOVAD-ZSBIGDGJSA-N 1 3 240.347 1.154 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(CN)n1)C2 ZINC001169092086 969407797 /nfs/dbraw/zinc/40/77/97/969407797.db2.gz XCSIALHXOFQGCM-GDNZZTSVSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1ccc(CN)n1)C2 ZINC001169092086 969407802 /nfs/dbraw/zinc/40/78/02/969407802.db2.gz XCSIALHXOFQGCM-GDNZZTSVSA-N 1 3 220.320 1.140 20 0 BDADHO CC[NH+]1CCC(n2ccnc2[C@@H](C)N)CC1 ZINC001169219594 969490530 /nfs/dbraw/zinc/49/05/30/969490530.db2.gz GBZGQWXQDFBVMC-SNVBAGLBSA-N 1 3 222.336 1.560 20 0 BDADHO C[C@@H](N)c1ccn(-c2cccc3c2C[NH2+]CC3)n1 ZINC001169233045 969512595 /nfs/dbraw/zinc/51/25/95/969512595.db2.gz MLZYNTXMLZYRLP-SNVBAGLBSA-N 1 3 242.326 1.538 20 0 BDADHO C[C@H](N)c1ccn(-c2cccc3c2C[NH2+]CC3)n1 ZINC001169233044 969515128 /nfs/dbraw/zinc/51/51/28/969515128.db2.gz MLZYNTXMLZYRLP-JTQLQIEISA-N 1 3 242.326 1.538 20 0 BDADHO C[C@@H](N)c1ccn(-c2cccc3c2CC[C@H]3[NH3+])n1 ZINC001169235754 969524730 /nfs/dbraw/zinc/52/47/30/969524730.db2.gz ZMTXSCLWFTUIOV-BXKDBHETSA-N 1 3 242.326 1.838 20 0 BDADHO C[N@@H+]1CCC[C@@H](NCCN2CCCCO2)CC1 ZINC001254498276 969660187 /nfs/dbraw/zinc/66/01/87/969660187.db2.gz UNTQXPYTMSUEQU-CYBMUJFWSA-N 1 3 241.379 1.088 20 0 BDADHO C[N@H+]1CCC[C@@H](NCCN2CCCCO2)CC1 ZINC001254498276 969660191 /nfs/dbraw/zinc/66/01/91/969660191.db2.gz UNTQXPYTMSUEQU-CYBMUJFWSA-N 1 3 241.379 1.088 20 0 BDADHO CN1CCC[C@@H]([NH2+]CCN2CCCCO2)CC1 ZINC001254498276 969660202 /nfs/dbraw/zinc/66/02/02/969660202.db2.gz UNTQXPYTMSUEQU-CYBMUJFWSA-N 1 3 241.379 1.088 20 0 BDADHO CN1CCC[C@@H]([NH2+]Cc2ccc(F)nc2)CC1 ZINC001254508184 969678796 /nfs/dbraw/zinc/67/87/96/969678796.db2.gz HUXVVMYNOYEHKE-GFCCVEGCSA-N 1 3 237.322 1.795 20 0 BDADHO CC(=O)N1CCC[C@@H]([NH2+]C(C)(C)C(C)(C)N)C1 ZINC001169587797 969785089 /nfs/dbraw/zinc/78/50/89/969785089.db2.gz UEMGWDUNCBDPEF-LLVKDONJSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254840594 969800974 /nfs/dbraw/zinc/80/09/74/969800974.db2.gz JXYBOPIYMKQBQQ-PWSUYJOCSA-N 1 3 234.347 1.560 20 0 BDADHO CC1([NH3+])CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254926796 969824645 /nfs/dbraw/zinc/82/46/45/969824645.db2.gz GVSRMJRUWBSQBK-GDNZZTSVSA-N 1 3 236.359 1.557 20 0 BDADHO CN(C)/C=C/c1ccncc1-n1ccc(C[NH3+])c1 ZINC001169727316 969825856 /nfs/dbraw/zinc/82/58/56/969825856.db2.gz WDISIQLUMVYZMM-FNORWQNLSA-N 1 3 242.326 1.863 20 0 BDADHO [NH3+]CC1(N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255106009 969937475 /nfs/dbraw/zinc/93/74/75/969937475.db2.gz JRTWNQCGWHEZGU-CQSZACIVSA-N 1 3 245.370 1.342 20 0 BDADHO CCN1CCN([C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001255443179 970175136 /nfs/dbraw/zinc/17/51/36/970175136.db2.gz KUCHPBRPRUSQBA-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CCN([C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001255443179 970175139 /nfs/dbraw/zinc/17/51/39/970175139.db2.gz KUCHPBRPRUSQBA-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(CCn1ccnc1)[C@@H]1CCC[N@H+](C)C1 ZINC001255495955 970260455 /nfs/dbraw/zinc/26/04/55/970260455.db2.gz VYGKZZXWEZSAPI-CYBMUJFWSA-N 1 3 236.363 1.299 20 0 BDADHO CCN(CCn1ccnc1)[C@@H]1CCC[N@@H+](C)C1 ZINC001255495955 970260462 /nfs/dbraw/zinc/26/04/62/970260462.db2.gz VYGKZZXWEZSAPI-CYBMUJFWSA-N 1 3 236.363 1.299 20 0 BDADHO C[C@@H]1COCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255674301 970450181 /nfs/dbraw/zinc/45/01/81/970450181.db2.gz ODSDQOGAHLNEAA-HABKJSAYSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]1COCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255674301 970450183 /nfs/dbraw/zinc/45/01/83/970450183.db2.gz ODSDQOGAHLNEAA-HABKJSAYSA-N 1 3 238.375 1.722 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)(C)CO ZINC001255940522 970563719 /nfs/dbraw/zinc/56/37/19/970563719.db2.gz CWNLOIFKSYXFQO-LBPRGKRZSA-N 1 3 230.396 1.715 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(C)COC1 ZINC001255939338 970572865 /nfs/dbraw/zinc/57/28/65/970572865.db2.gz BVLXDNPTYUMHSG-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCCOC ZINC001255939587 970570642 /nfs/dbraw/zinc/57/06/42/970570642.db2.gz HVEBDGHFFHMQRO-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC001255940783 970571088 /nfs/dbraw/zinc/57/10/88/970571088.db2.gz GNEAUQMHUOSJLH-MGPQQGTHSA-N 1 3 242.407 2.000 20 0 BDADHO C[C@H](CC(F)(F)F)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543075 972589310 /nfs/dbraw/zinc/58/93/10/972589310.db2.gz SHZRELBHETYGSS-DJLDLDEBSA-N 1 3 224.270 1.854 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001246546638 972645611 /nfs/dbraw/zinc/64/56/11/972645611.db2.gz NBVBBPXALHFJMR-PDWCTOEPSA-N 1 3 237.391 1.423 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001246546638 972645618 /nfs/dbraw/zinc/64/56/18/972645618.db2.gz NBVBBPXALHFJMR-PDWCTOEPSA-N 1 3 237.391 1.423 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@](C)(O)CC2)CCN1 ZINC001246552783 972738570 /nfs/dbraw/zinc/73/85/70/972738570.db2.gz VEVBGGIMLQNCJZ-REWJHTLYSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@](C)(O)CC2)CCN1 ZINC001246552783 972738575 /nfs/dbraw/zinc/73/85/75/972738575.db2.gz VEVBGGIMLQNCJZ-REWJHTLYSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)CCN1 ZINC001246552779 972738881 /nfs/dbraw/zinc/73/88/81/972738881.db2.gz VEVBGGIMLQNCJZ-AAVRWANBSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@](C)(O)CC2)CCN1 ZINC001246552779 972738889 /nfs/dbraw/zinc/73/88/89/972738889.db2.gz VEVBGGIMLQNCJZ-AAVRWANBSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553615 972743769 /nfs/dbraw/zinc/74/37/69/972743769.db2.gz BNEOQQJGGNXRRC-OUAUKWLOSA-N 1 3 248.317 1.470 20 0 BDADHO CC(C)([NH3+])CNc1c[nH]cc2ccnc1-2 ZINC001171196483 972857945 /nfs/dbraw/zinc/85/79/45/972857945.db2.gz VNLGBXBHLTWKKE-UHFFFAOYSA-N 1 3 204.277 1.712 20 0 BDADHO CC(C)([NH3+])CNc1cncc2cc[nH]c21 ZINC001171196483 972857951 /nfs/dbraw/zinc/85/79/51/972857951.db2.gz VNLGBXBHLTWKKE-UHFFFAOYSA-N 1 3 204.277 1.712 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246581998 972941797 /nfs/dbraw/zinc/94/17/97/972941797.db2.gz LYSFVZJDJXJBQH-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246581998 972941807 /nfs/dbraw/zinc/94/18/07/972941807.db2.gz LYSFVZJDJXJBQH-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO CCCC[C@@H](C)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246612693 973031049 /nfs/dbraw/zinc/03/10/49/973031049.db2.gz CJBJXEPSPAYEOV-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CCCC[C@@H](C)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246612693 973031064 /nfs/dbraw/zinc/03/10/64/973031064.db2.gz CJBJXEPSPAYEOV-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CC(C)CC[C@@H](C)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246627682 973045903 /nfs/dbraw/zinc/04/59/03/973045903.db2.gz YKAOBRAFFYBWCK-MGPQQGTHSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@H]1CC(N2C[C@@H](N)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246821617 973117655 /nfs/dbraw/zinc/11/76/55/973117655.db2.gz SYSWMJVBUCOKQH-XRRVDJEJSA-N 1 3 243.370 1.277 20 0 BDADHO C[C@H](N)C[N@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001246981967 973747450 /nfs/dbraw/zinc/74/74/50/973747450.db2.gz VARNMXZLFQAJRZ-JQWIXIFHSA-N 1 3 236.334 1.962 20 0 BDADHO C[C@H](N)C[N@@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001246981967 973747460 /nfs/dbraw/zinc/74/74/60/973747460.db2.gz VARNMXZLFQAJRZ-JQWIXIFHSA-N 1 3 236.334 1.962 20 0 BDADHO C1=C2NCCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2CCC1 ZINC001246991239 973768956 /nfs/dbraw/zinc/76/89/56/973768956.db2.gz AAEIRGVWTFNPJV-XFMPKHEZSA-N 1 3 247.386 1.611 20 0 BDADHO C1=C2NCCN([C@H]3CCC[NH2+]CC3)[C@H]2CCC1 ZINC001246991789 973781222 /nfs/dbraw/zinc/78/12/22/973781222.db2.gz BXILAIFYMRCFRO-JSGCOSHPSA-N 1 3 235.375 1.470 20 0 BDADHO CC1(CN[C@@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC000720991350 974178328 /nfs/dbraw/zinc/17/83/28/974178328.db2.gz AFYMXQWEHPPXRD-SECBINFHSA-N 1 3 218.291 1.763 20 0 BDADHO Cn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC001172099444 974337618 /nfs/dbraw/zinc/33/76/18/974337618.db2.gz HLWAKLYBNPZXDB-ZSOGYDGISA-N 1 3 248.374 1.525 20 0 BDADHO CC(C)[N@H+](CCN)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103507 974360679 /nfs/dbraw/zinc/36/06/79/974360679.db2.gz VQPPHUZBRDVNLV-BTTYYORXSA-N 1 3 239.407 1.671 20 0 BDADHO CC(C)[N@@H+](CCN)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103507 974360688 /nfs/dbraw/zinc/36/06/88/974360688.db2.gz VQPPHUZBRDVNLV-BTTYYORXSA-N 1 3 239.407 1.671 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)COC1)C2 ZINC001172105123 974364012 /nfs/dbraw/zinc/36/40/12/974364012.db2.gz HBAHHNASOQUUKX-CNDDSTCGSA-N 1 3 242.338 1.330 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103667 974366142 /nfs/dbraw/zinc/36/61/42/974366142.db2.gz WKQZYDKUPPMYIT-XDQVBPFNSA-N 1 3 239.407 1.541 20 0 BDADHO C[NH2+]C[C@@H](C)CNCCc1ccc(F)cc1F ZINC001331417603 974712578 /nfs/dbraw/zinc/71/25/78/974712578.db2.gz CRILCDMPYYVYOF-SNVBAGLBSA-N 1 3 242.313 1.952 20 0 BDADHO CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC001172459162 974823964 /nfs/dbraw/zinc/82/39/64/974823964.db2.gz FRCUDRDADHTHKB-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H](N)C1 ZINC001172459162 974823967 /nfs/dbraw/zinc/82/39/67/974823967.db2.gz FRCUDRDADHTHKB-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001172746648 974921858 /nfs/dbraw/zinc/92/18/58/974921858.db2.gz RBIQEBZNDLZHRI-QWRGUYRKSA-N 1 3 230.352 1.291 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)NC[C@@H](C)C[NH3+] ZINC001172746648 974921862 /nfs/dbraw/zinc/92/18/62/974921862.db2.gz RBIQEBZNDLZHRI-QWRGUYRKSA-N 1 3 230.352 1.291 20 0 BDADHO CC[N@@H+]1CC[C@H](n2ccc([C@H](C)N)n2)C1 ZINC001173350662 975295249 /nfs/dbraw/zinc/29/52/49/975295249.db2.gz OJBOLRFFKOORBP-UWVGGRQHSA-N 1 3 208.309 1.170 20 0 BDADHO CC[N@H+]1CC[C@H](n2ccc([C@H](C)N)n2)C1 ZINC001173350662 975295255 /nfs/dbraw/zinc/29/52/55/975295255.db2.gz OJBOLRFFKOORBP-UWVGGRQHSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@H](C[NH3+])CNC1Cc2cc(F)c(F)cc2C1 ZINC001173476726 975382002 /nfs/dbraw/zinc/38/20/02/975382002.db2.gz TUEWSEDIGFHGPR-MRVPVSSYSA-N 1 3 240.297 1.616 20 0 BDADHO C[C@H](CN)C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476726 975382012 /nfs/dbraw/zinc/38/20/12/975382012.db2.gz TUEWSEDIGFHGPR-MRVPVSSYSA-N 1 3 240.297 1.616 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC001333319910 975657886 /nfs/dbraw/zinc/65/78/86/975657886.db2.gz KQFGRRBLDSSGSB-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](O)[C@H](C)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001335469552 977078281 /nfs/dbraw/zinc/07/82/81/977078281.db2.gz NBWHKZQTIOLUBF-XWLWVQCSSA-N 1 3 214.353 1.074 20 0 BDADHO C[C@H](O)[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281682 978009308 /nfs/dbraw/zinc/00/93/08/978009308.db2.gz ONYITLPOOFENAP-AVGNSLFASA-N 1 3 249.358 1.361 20 0 BDADHO CN1CCN(c2ccc(C[NH+]3CCC3)cn2)CC1 ZINC001232359381 978039043 /nfs/dbraw/zinc/03/90/43/978039043.db2.gz GGKDWFYOYYTZOO-UHFFFAOYSA-N 1 3 246.358 1.039 20 0 BDADHO Cc1c[nH]c(=O)c(CN(C)C2CC[NH+](C)CC2)c1 ZINC001233189222 978489668 /nfs/dbraw/zinc/48/96/68/978489668.db2.gz QYSNUOADZDBMAJ-UHFFFAOYSA-N 1 3 249.358 1.622 20 0 BDADHO CCN(CC)CC(=O)NC(C)(C)CC[NH+](C)C ZINC001180391096 978873405 /nfs/dbraw/zinc/87/34/05/978873405.db2.gz NNLNCTHFVKTBTQ-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H](N)C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC001235138633 978980714 /nfs/dbraw/zinc/98/07/14/978980714.db2.gz BSUOOQHLJCRDGA-LBPRGKRZSA-N 1 3 245.370 1.793 20 0 BDADHO COC(C)(C)[C@@H]1CCCN1C[C@H](C)[NH3+] ZINC001235827841 979151865 /nfs/dbraw/zinc/15/18/65/979151865.db2.gz RCPBRFOTBHPJSM-UWVGGRQHSA-N 1 3 200.326 1.223 20 0 BDADHO [NH3+]CCCCN1CC(c2cccnc2)C1 ZINC001235958522 979219115 /nfs/dbraw/zinc/21/91/15/979219115.db2.gz HBTROBQNGFYIQH-UHFFFAOYSA-N 1 3 205.305 1.220 20 0 BDADHO CC1(C)C[C@H](CN2C[C@@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001235977324 979243497 /nfs/dbraw/zinc/24/34/97/979243497.db2.gz GNBDFIITDLRFLJ-MBNYWOFBSA-N 1 3 238.375 1.615 20 0 BDADHO CC[NH2+][C@@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001341622561 979493205 /nfs/dbraw/zinc/49/32/05/979493205.db2.gz KIFKFNWDPLEPMG-VIFPVBQESA-N 1 3 233.315 1.226 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001341670049 979518387 /nfs/dbraw/zinc/51/83/87/979518387.db2.gz BRVVHFCOXJAZAF-JQWIXIFHSA-N 1 3 249.358 1.847 20 0 BDADHO CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206506836 979530950 /nfs/dbraw/zinc/53/09/50/979530950.db2.gz SDQXYULQSIYACY-RDBSUJKOSA-N 1 3 240.391 1.620 20 0 BDADHO CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206506836 979530961 /nfs/dbraw/zinc/53/09/61/979530961.db2.gz SDQXYULQSIYACY-RDBSUJKOSA-N 1 3 240.391 1.620 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766307 979552574 /nfs/dbraw/zinc/55/25/74/979552574.db2.gz NOXHDGSLFHVKNN-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001342169669 979688731 /nfs/dbraw/zinc/68/87/31/979688731.db2.gz AZWVLHLQXZHAGV-TXEJJXNPSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]([NH3+])CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001237457623 979905898 /nfs/dbraw/zinc/90/58/98/979905898.db2.gz YEDSVAZYOZFXPL-FRRDWIJNSA-N 1 3 243.370 1.232 20 0 BDADHO c1ccc(C23CCNCC2C[NH2+]CC3)cc1 ZINC001239331306 980539243 /nfs/dbraw/zinc/53/92/43/980539243.db2.gz JZIWSBSHOMUDII-UHFFFAOYSA-N 1 3 216.328 1.527 20 0 BDADHO c1nc2c(cc1C1=CC[NH2+]CC1)CNCC2 ZINC001240466679 981399559 /nfs/dbraw/zinc/39/95/59/981399559.db2.gz FISQJRQCEGSQID-UHFFFAOYSA-N 1 3 215.300 1.104 20 0 BDADHO CN(C)Cc1ccc(C2=CC[N@H+](C)CC2)nc1 ZINC001241313018 982463339 /nfs/dbraw/zinc/46/33/39/982463339.db2.gz SHEAMIGSJJUACG-UHFFFAOYSA-N 1 3 231.343 1.862 20 0 BDADHO CN(C)Cc1ccc(C2=CC[N@@H+](C)CC2)nc1 ZINC001241313018 982463350 /nfs/dbraw/zinc/46/33/50/982463350.db2.gz SHEAMIGSJJUACG-UHFFFAOYSA-N 1 3 231.343 1.862 20 0 BDADHO NC[C@@]12CC[C@H]1CC[N@@H+]2CCOCC1CC1 ZINC001352777524 982573775 /nfs/dbraw/zinc/57/37/75/982573775.db2.gz GVIAQHWVIZPAPM-STQMWFEESA-N 1 3 224.348 1.226 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)nc(N)n1 ZINC001354393912 983297673 /nfs/dbraw/zinc/29/76/73/983297673.db2.gz DCBQEIRGAURPRI-GARJFASQSA-N 1 3 247.346 1.119 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)nc(N)n1 ZINC001354393912 983297678 /nfs/dbraw/zinc/29/76/78/983297678.db2.gz DCBQEIRGAURPRI-GARJFASQSA-N 1 3 247.346 1.119 20 0 BDADHO CCCC[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC001252107153 983668789 /nfs/dbraw/zinc/66/87/89/983668789.db2.gz FUCLJJBCIQBNFA-CQSZACIVSA-N 1 3 242.407 2.000 20 0 BDADHO CCC(C)(C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC000149631347 983951988 /nfs/dbraw/zinc/95/19/88/983951988.db2.gz LTNQBXSTFYSCSF-SNVBAGLBSA-N 1 3 216.369 1.514 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCCC[C@@]12CCOC2 ZINC001574799659 984119375 /nfs/dbraw/zinc/11/93/75/984119375.db2.gz FHXHCMHTUDSGER-OLZOCXBDSA-N 1 3 224.348 1.241 20 0 BDADHO CC(C)OC(=O)C[C@H](NC[C@H](C)[NH3+])C(C)C ZINC001576158758 984158745 /nfs/dbraw/zinc/15/87/45/984158745.db2.gz JHXPVYVVUDVUAL-QWRGUYRKSA-N 1 3 230.352 1.290 20 0 BDADHO C[C@]1(CN[C@]23CCC[C@H]2OCC3)CC[NH2+]C1 ZINC001576526068 984173686 /nfs/dbraw/zinc/17/36/86/984173686.db2.gz MTIBUEVCZMHIAQ-AGIUHOORSA-N 1 3 224.348 1.287 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622163 984216548 /nfs/dbraw/zinc/21/65/48/984216548.db2.gz PMBLOBKIJBYWDS-WCQYABFASA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622163 984216555 /nfs/dbraw/zinc/21/65/55/984216555.db2.gz PMBLOBKIJBYWDS-WCQYABFASA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](C)C(C)(C)C1 ZINC001578622163 984216559 /nfs/dbraw/zinc/21/65/59/984216559.db2.gz PMBLOBKIJBYWDS-WCQYABFASA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223580 984406316 /nfs/dbraw/zinc/40/63/16/984406316.db2.gz CCCTUOKZWCZENX-IZMFDJJNSA-N 1 3 236.359 1.236 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223580 984406336 /nfs/dbraw/zinc/40/63/36/984406336.db2.gz CCCTUOKZWCZENX-IZMFDJJNSA-N 1 3 236.359 1.236 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223581 984412212 /nfs/dbraw/zinc/41/22/12/984412212.db2.gz CCCTUOKZWCZENX-QQKNPXLJSA-N 1 3 236.359 1.236 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223581 984412236 /nfs/dbraw/zinc/41/22/36/984412236.db2.gz CCCTUOKZWCZENX-QQKNPXLJSA-N 1 3 236.359 1.236 20 0 BDADHO C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275045628 984444208 /nfs/dbraw/zinc/44/42/08/984444208.db2.gz QPWOQKIKLPJSKO-BETUJISGSA-N 1 3 233.359 1.788 20 0 BDADHO C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001275045628 984444237 /nfs/dbraw/zinc/44/42/37/984444237.db2.gz QPWOQKIKLPJSKO-BETUJISGSA-N 1 3 233.359 1.788 20 0 BDADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2CC1CCC1 ZINC001275182354 984515732 /nfs/dbraw/zinc/51/57/32/984515732.db2.gz RCTJUYTXFHGSRO-OKILXGFUSA-N 1 3 237.391 1.107 20 0 BDADHO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC1(CN)CCC1 ZINC001577908430 984818878 /nfs/dbraw/zinc/81/88/78/984818878.db2.gz IVEATRGMRUTVPU-GHMZBOCLSA-N 1 3 242.363 1.293 20 0 BDADHO CCOC(=O)[C@]1(C)CCC[C@@H]1NC1CC([NH3+])C1 ZINC001577925977 984821898 /nfs/dbraw/zinc/82/18/98/984821898.db2.gz PEQQCNKMYAECRC-TWHWIZHFSA-N 1 3 240.347 1.188 20 0 BDADHO CCOC(C)(C)CNC[C@H]([NH3+])CC(F)(F)F ZINC001578071306 984838544 /nfs/dbraw/zinc/83/85/44/984838544.db2.gz DWDLEQXMUUQDNF-MRVPVSSYSA-N 1 3 242.285 1.671 20 0 BDADHO CCOCC(C)(C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001578102481 984851063 /nfs/dbraw/zinc/85/10/63/984851063.db2.gz RWSBSJJHVPTAOU-MNOVXSKESA-N 1 3 214.353 1.247 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)[C@H]1OC ZINC001578148616 984854636 /nfs/dbraw/zinc/85/46/36/984854636.db2.gz DMQFLCLGLOIWNP-JZRPKSSGSA-N 1 3 242.363 1.038 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)[C@H]1OC ZINC001578148906 984856258 /nfs/dbraw/zinc/85/62/58/984856258.db2.gz NQBGFSOIQYGMRQ-SYLRKERUSA-N 1 3 242.363 1.038 20 0 BDADHO CC[C@H]1[NH2+]CC[C@@H]1N[C@H]1CCCN(CC)C1 ZINC001578241589 984894414 /nfs/dbraw/zinc/89/44/14/984894414.db2.gz CXLJGVKQATZSRK-XQQFMLRXSA-N 1 3 225.380 1.201 20 0 BDADHO CN(C[C@H](O)C1CC1)C1(C[NH3+])CCCCC1 ZINC001578441714 985068736 /nfs/dbraw/zinc/06/87/36/985068736.db2.gz IBPRNGLJJZATNG-LBPRGKRZSA-N 1 3 226.364 1.351 20 0 BDADHO CN(CCC(=O)OC(C)(C)C)CC1(C[NH3+])CC1 ZINC001578461367 985094042 /nfs/dbraw/zinc/09/40/42/985094042.db2.gz KXUPAKALWKZNHQ-UHFFFAOYSA-N 1 3 242.363 1.389 20 0 BDADHO CO[C@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000691985180 985107703 /nfs/dbraw/zinc/10/77/03/985107703.db2.gz JYAIXOYTKROGDR-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000691985180 985107713 /nfs/dbraw/zinc/10/77/13/985107713.db2.gz JYAIXOYTKROGDR-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H](SC)C1 ZINC001578638365 985246811 /nfs/dbraw/zinc/24/68/11/985246811.db2.gz MLIMXXDHWLJRNX-DCAQKATOSA-N 1 3 216.394 1.858 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(C[C@@H]2CC[NH2+]C2)C1 ZINC000687189786 985255330 /nfs/dbraw/zinc/25/53/30/985255330.db2.gz AUTGLLVQBHUIFF-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO C[NH2+]C[C@H](O)CN(C)CC1CCCCCC1 ZINC001578651983 985267617 /nfs/dbraw/zinc/26/76/17/985267617.db2.gz CGNRRPLPXVMPGE-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO C[NH2+]C[C@@H](O)CN1CCC[C@@H](CC(C)C)C1 ZINC001578653848 985272367 /nfs/dbraw/zinc/27/23/67/985272367.db2.gz FBKYTSHSFJFTEZ-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO COC(=O)[C@H](C[NH2+]CC1(CN)CC1)CC(C)C ZINC001578774950 985344384 /nfs/dbraw/zinc/34/43/84/985344384.db2.gz SHWDMVFHQMMIGN-NSHDSACASA-N 1 3 242.363 1.150 20 0 BDADHO COC(=O)[C@H](CNCC1(C[NH3+])CC1)CC(C)C ZINC001578774950 985344395 /nfs/dbraw/zinc/34/43/95/985344395.db2.gz SHWDMVFHQMMIGN-NSHDSACASA-N 1 3 242.363 1.150 20 0 BDADHO COC(=O)C1CCC([NH2+][C@H]2CCN[C@@H]2C)CC1 ZINC001578788992 985353198 /nfs/dbraw/zinc/35/31/98/985353198.db2.gz MPOHVJFOGKRATI-YYJSSNLHSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001578790681 985365866 /nfs/dbraw/zinc/36/58/66/985365866.db2.gz VUCZEBMZFIUNKB-PREPNJAASA-N 1 3 240.347 1.044 20 0 BDADHO COC(=O)CC1CC(N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001578803474 985376551 /nfs/dbraw/zinc/37/65/51/985376551.db2.gz QLHSVHJOIFKHCR-HBIQZDMRSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@@H]1COC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000688047456 985527365 /nfs/dbraw/zinc/52/73/65/985527365.db2.gz ZWTZTLIKUWCPOE-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1cc(CN(C)C2CCC([NH3+])CC2)nn1C ZINC000688058748 985542595 /nfs/dbraw/zinc/54/25/95/985542595.db2.gz QVWPXUQUOOBTLW-UHFFFAOYSA-N 1 3 236.363 1.430 20 0 BDADHO COC[C@H](NC[C@H]([NH3+])CC(F)F)C(C)C ZINC001578970599 985606167 /nfs/dbraw/zinc/60/61/67/985606167.db2.gz YFVYFJXVSFYIJV-BDAKNGLRSA-N 1 3 224.295 1.230 20 0 BDADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@@H](N)C3)C[C@H]2C1 ZINC001579127327 985802220 /nfs/dbraw/zinc/80/22/20/985802220.db2.gz LKRBISZYKAHRAC-DUMGWNBUSA-N 1 3 224.348 1.269 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[NH2+]CC[C@H]1C ZINC001579130308 985807251 /nfs/dbraw/zinc/80/72/51/985807251.db2.gz RQCORJKTNFTBSF-KKOKHZNYSA-N 1 3 212.337 1.142 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@H](N)C2)n1 ZINC001579269377 985828795 /nfs/dbraw/zinc/82/87/95/985828795.db2.gz SQKIWFDHWVSKDM-NHCYSSNCSA-N 1 3 235.331 1.101 20 0 BDADHO NC[C@@H]1CCCC[N@H+](CCCC2OCCO2)C1 ZINC001206606769 985938546 /nfs/dbraw/zinc/93/85/46/985938546.db2.gz RSNYJXSESZIQTB-LBPRGKRZSA-N 1 3 242.363 1.200 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](CCCC2OCCO2)C1 ZINC001206606769 985938563 /nfs/dbraw/zinc/93/85/63/985938563.db2.gz RSNYJXSESZIQTB-LBPRGKRZSA-N 1 3 242.363 1.200 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(CCC[C@H]1CCOC1)C2 ZINC001579474004 985979586 /nfs/dbraw/zinc/97/95/86/985979586.db2.gz UGFYGHBBAKGXDN-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO Cc1cc(CNC[C@H](C)C[NH3+])cc(C)n1 ZINC001579600904 986117703 /nfs/dbraw/zinc/11/77/03/986117703.db2.gz DMNRLGIBQBEGJR-SECBINFHSA-N 1 3 207.321 1.383 20 0 BDADHO Cc1cc(CNCC[C@@H]2C[NH2+]C[C@H]2C)on1 ZINC001579601094 986125823 /nfs/dbraw/zinc/12/58/23/986125823.db2.gz JLHLPMWTFFLKMH-MWLCHTKSSA-N 1 3 223.320 1.318 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOCC3)[C@@H]2C1 ZINC001462668173 986498488 /nfs/dbraw/zinc/49/84/88/986498488.db2.gz MUBYTEQIIJKMDY-FQUUOJAGSA-N 1 3 238.375 1.485 20 0 BDADHO NCC1(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)CCC1 ZINC001580244500 986696100 /nfs/dbraw/zinc/69/61/00/986696100.db2.gz ZDMSPVPVDOHUTI-FUNVUKJBSA-N 1 3 238.375 1.208 20 0 BDADHO NCC1(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)CCC1 ZINC001580244500 986696145 /nfs/dbraw/zinc/69/61/45/986696145.db2.gz ZDMSPVPVDOHUTI-FUNVUKJBSA-N 1 3 238.375 1.208 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC001580423116 986840700 /nfs/dbraw/zinc/84/07/00/986840700.db2.gz POYGAELGGYSAPW-BJHJDKERSA-N 1 3 246.358 1.130 20 0 BDADHO [NH3+][C@H]1C[C@@H](NC2CCN(c3ccccn3)CC2)C1 ZINC001580423116 986840708 /nfs/dbraw/zinc/84/07/08/986840708.db2.gz POYGAELGGYSAPW-BJHJDKERSA-N 1 3 246.358 1.130 20 0 BDADHO CN1CCC[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@H]32)C1 ZINC001255490816 986988725 /nfs/dbraw/zinc/98/87/25/986988725.db2.gz YIGHTGYVKSIBKE-HZSPNIEDSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CCC[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001255490816 986988734 /nfs/dbraw/zinc/98/87/34/986988734.db2.gz YIGHTGYVKSIBKE-HZSPNIEDSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CCC[C@H](N2CCC[C@@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001255490819 986990056 /nfs/dbraw/zinc/99/00/56/986990056.db2.gz YIGHTGYVKSIBKE-RDBSUJKOSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CCC[C@H](N2CCC[C@@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001255490819 986990065 /nfs/dbraw/zinc/99/00/65/986990065.db2.gz YIGHTGYVKSIBKE-RDBSUJKOSA-N 1 3 237.391 1.107 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCC(C)(C)O ZINC001255945877 987083578 /nfs/dbraw/zinc/08/35/78/987083578.db2.gz OLKJODSMZUUQIA-GFCCVEGCSA-N 1 3 230.396 1.857 20 0 BDADHO CC(C)(C)OC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245971793 987242963 /nfs/dbraw/zinc/24/29/63/987242963.db2.gz CJKWZTXKFWDFQD-LLVKDONJSA-N 1 3 244.379 1.024 20 0 BDADHO CCCCC[C@@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246014097 987296372 /nfs/dbraw/zinc/29/63/72/987296372.db2.gz VGONWUOBVULVKM-UPJWGTAASA-N 1 3 228.380 1.787 20 0 BDADHO CC1(C[NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)COC1 ZINC000693675927 987313140 /nfs/dbraw/zinc/31/31/40/987313140.db2.gz HMBDPRILYPPNFD-GRYCIOLGSA-N 1 3 238.375 1.389 20 0 BDADHO CCCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246025346 987316549 /nfs/dbraw/zinc/31/65/49/987316549.db2.gz WWWSCXFZBIBQBA-ZIAGYGMSSA-N 1 3 242.407 1.988 20 0 BDADHO CCCC[C@@H](O)C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246025346 987316558 /nfs/dbraw/zinc/31/65/58/987316558.db2.gz WWWSCXFZBIBQBA-ZIAGYGMSSA-N 1 3 242.407 1.988 20 0 BDADHO CC(C)(C)[C@@H](O)CN1CCCC[C@](F)(C[NH3+])C1 ZINC001246025918 987321267 /nfs/dbraw/zinc/32/12/67/987321267.db2.gz YHIQSBVKTVPORE-AAEUAGOBSA-N 1 3 246.370 1.546 20 0 BDADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCNCC2)C1 ZINC001246077861 987366602 /nfs/dbraw/zinc/36/66/02/987366602.db2.gz LBWAGTBCVGGOER-JQWIXIFHSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)[C@H]1CC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246077861 987366609 /nfs/dbraw/zinc/36/66/09/987366609.db2.gz LBWAGTBCVGGOER-JQWIXIFHSA-N 1 3 240.347 1.060 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000400770755 987369959 /nfs/dbraw/zinc/36/99/59/987369959.db2.gz CJSJUUCPSLOFAZ-NWDGAFQWSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@H]1CC[C@H](NC2C[C@@H]3CC(=O)C[C@H]3C2)C[NH2+]1 ZINC001246079298 987373750 /nfs/dbraw/zinc/37/37/50/987373750.db2.gz JRRSHJGFIZULRQ-QCNOEVLYSA-N 1 3 236.359 1.474 20 0 BDADHO CC(C)COCC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246080546 987375333 /nfs/dbraw/zinc/37/53/33/987375333.db2.gz RJKCAMSFODDRFI-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)COCC[C@H](C)[NH2+]C1CCNCC1 ZINC001246080551 987375765 /nfs/dbraw/zinc/37/57/65/987375765.db2.gz RJKCAMSFODDRFI-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H]1CC[C@H](N[C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC001246082188 987375827 /nfs/dbraw/zinc/37/58/27/987375827.db2.gz VKWMCBMZBPILRH-SRVKXCTJSA-N 1 3 226.364 1.674 20 0 BDADHO FC1CCC([NH2+]C2CCNCC2)CC1 ZINC001246084257 987381854 /nfs/dbraw/zinc/38/18/54/987381854.db2.gz XUJMXVSOQCWYIL-UHFFFAOYSA-N 1 3 200.301 1.609 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC001246089955 987395394 /nfs/dbraw/zinc/39/53/94/987395394.db2.gz IEGSGNZHRIRSFQ-RNJOBUHISA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CCN1 ZINC001246090738 987397501 /nfs/dbraw/zinc/39/75/01/987397501.db2.gz YQISGFPRSHYVQF-DDHJBXDOSA-N 1 3 214.328 1.997 20 0 BDADHO CC1(C)C[C@H]([NH2+][C@@H]2CCCCNC2)CO1 ZINC001246092046 987398503 /nfs/dbraw/zinc/39/85/03/987398503.db2.gz RTAGEONVPNBLBN-MNOVXSKESA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246096043 987404582 /nfs/dbraw/zinc/40/45/82/987404582.db2.gz LLINLWQTTKOSSB-RDBSUJKOSA-N 1 3 247.386 1.990 20 0 BDADHO F[C@@H]1CCC[C@H]1C[NH2+]C1CCNCC1 ZINC001246101216 987425439 /nfs/dbraw/zinc/42/54/39/987425439.db2.gz YYZAXVOEWZVPRU-GXSJLCMTSA-N 1 3 200.301 1.466 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)NC1 ZINC001246105115 987433738 /nfs/dbraw/zinc/43/37/38/987433738.db2.gz LXSHPRDVPCMYAN-GRYCIOLGSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246106995 987437336 /nfs/dbraw/zinc/43/73/36/987437336.db2.gz RUELDWNBNNBHKS-DUJLVANISA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1CCCOC1 ZINC001246110940 987445079 /nfs/dbraw/zinc/44/50/79/987445079.db2.gz JSEQECNWIIVKAJ-UTUOFQBUSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)CCN1 ZINC001246112440 987449937 /nfs/dbraw/zinc/44/99/37/987449937.db2.gz UHCMVHZKZVOGRJ-ZNSHCXBVSA-N 1 3 200.301 1.607 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246131497 987482453 /nfs/dbraw/zinc/48/24/53/987482453.db2.gz ZCXFLSMYKWROBM-FIQHERPVSA-N 1 3 208.349 1.763 20 0 BDADHO COC1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246136413 987494273 /nfs/dbraw/zinc/49/42/73/987494273.db2.gz WZAWVIHZGWSKSY-MCIGGMRASA-N 1 3 224.348 1.286 20 0 BDADHO CC[C@@H](CC(C)C)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246144073 987504850 /nfs/dbraw/zinc/50/48/50/987504850.db2.gz BCJNVNNYZRYRQV-RFQIPJPRSA-N 1 3 240.391 1.635 20 0 BDADHO CCCCC[C@H](C)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246151075 987510806 /nfs/dbraw/zinc/51/08/06/987510806.db2.gz VTRYNLPCUWXSEY-IGQOVBAYSA-N 1 3 240.391 1.779 20 0 BDADHO Fc1ccc(OCC[NH2+][C@H]2CCCNC2)cc1 ZINC001246165074 987525976 /nfs/dbraw/zinc/52/59/76/987525976.db2.gz FCENVWPYBIPXQD-LBPRGKRZSA-N 1 3 238.306 1.546 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCN(C)c2ccccc2)CN1 ZINC001246177160 987544916 /nfs/dbraw/zinc/54/49/16/987544916.db2.gz SPDVXLYQZZFCET-ZIAGYGMSSA-N 1 3 247.386 1.853 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CCN1 ZINC001246187973 987572087 /nfs/dbraw/zinc/57/20/87/987572087.db2.gz RSDLDCLGUIFKNF-QCNOEVLYSA-N 1 3 212.337 1.020 20 0 BDADHO O=C1C[C@@H]2CC([NH2+]C[C@@H]3CCCNC3)C[C@H]2C1 ZINC001246199693 987594861 /nfs/dbraw/zinc/59/48/61/987594861.db2.gz NCNNBMCEFZVGBI-WOPDTQHZSA-N 1 3 236.359 1.333 20 0 BDADHO C[C@@H]1CC[C@H](n2nc(CN)c3ccccc32)C[NH2+]1 ZINC001246199437 987596686 /nfs/dbraw/zinc/59/66/86/987596686.db2.gz JXCLXNMOTSURJA-MNOVXSKESA-N 1 3 244.342 1.808 20 0 BDADHO CCCC[C@H](CO)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246212611 987610118 /nfs/dbraw/zinc/61/01/18/987610118.db2.gz VZBPKWIJDXLMLG-GRYCIOLGSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@H](CO)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246212611 987610122 /nfs/dbraw/zinc/61/01/22/987610122.db2.gz VZBPKWIJDXLMLG-GRYCIOLGSA-N 1 3 214.353 1.268 20 0 BDADHO CC1(C)C[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246221221 987620062 /nfs/dbraw/zinc/62/00/62/987620062.db2.gz JOOXDODGDPOAPT-AYLPWXGPSA-N 1 3 224.348 1.427 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CCN1 ZINC001246222151 987620631 /nfs/dbraw/zinc/62/06/31/987620631.db2.gz LHVKJBGWSDHBDT-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)CCN1 ZINC001246231235 987630457 /nfs/dbraw/zinc/63/04/57/987630457.db2.gz PBWNDLQJLXEMIG-KKOKHZNYSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@H](N)c1ccn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246249067 987648212 /nfs/dbraw/zinc/64/82/12/987648212.db2.gz NRECFEJUIUQJGC-GKDVJIACSA-N 1 3 220.320 1.358 20 0 BDADHO C[NH2+]CC[C@H](C)NC[C@H]1Cc2ccccc2CN1 ZINC001246277437 987673051 /nfs/dbraw/zinc/67/30/51/987673051.db2.gz JEHQGEAHYMMWCV-SWLSCSKDSA-N 1 3 247.386 1.289 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)c2ccccc2)CN1 ZINC001246278123 987673810 /nfs/dbraw/zinc/67/38/10/987673810.db2.gz KICHCOQMGZSVID-TZMCWYRMSA-N 1 3 246.354 1.990 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](NCC[C@H](C)[NH3+])C1 ZINC001246304871 987705301 /nfs/dbraw/zinc/70/53/01/987705301.db2.gz MSGQHABWXBBAKE-AXFHLTTASA-N 1 3 228.336 1.045 20 0 BDADHO Oc1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)CC2 ZINC001246313061 987716536 /nfs/dbraw/zinc/71/65/36/987716536.db2.gz XLBSYEIXBOFFNE-CQSZACIVSA-N 1 3 246.354 1.591 20 0 BDADHO CCCc1cc(CN)nn1C1CC[NH2+]CC1 ZINC001246321488 987729455 /nfs/dbraw/zinc/72/94/55/987729455.db2.gz OATDFTUFOKYEHP-UHFFFAOYSA-N 1 3 222.336 1.219 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246324685 987731339 /nfs/dbraw/zinc/73/13/39/987731339.db2.gz ZFSYOJJBWHHEHW-MFKMUULPSA-N 1 3 236.363 1.607 20 0 BDADHO CC(=O)CC(C)(C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246329055 987734883 /nfs/dbraw/zinc/73/48/83/987734883.db2.gz NBBBENUCEBTESN-ONGXEEELSA-N 1 3 212.337 1.474 20 0 BDADHO CC(=O)CC(C)(C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246329055 987734885 /nfs/dbraw/zinc/73/48/85/987734885.db2.gz NBBBENUCEBTESN-ONGXEEELSA-N 1 3 212.337 1.474 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCC2CCC(O)CC2)CCN1 ZINC001246336602 987745087 /nfs/dbraw/zinc/74/50/87/987745087.db2.gz PRQUSJAVRUQCHJ-AHPWVWPOSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOC1 ZINC001246444522 987799815 /nfs/dbraw/zinc/79/98/15/987799815.db2.gz BZBJMJCYCXEMCM-MBYGNEARSA-N 1 3 210.321 1.038 20 0 BDADHO CC1(C)CCC[C@@H]([NH2+][C@@H]2CC23CNC3)C1 ZINC001246448479 987806779 /nfs/dbraw/zinc/80/67/79/987806779.db2.gz YUIWRLJOLUWKOQ-GHMZBOCLSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CC(N[C@H]2CC23C[NH2+]C3)CC(C)(C)O1 ZINC001246446691 987807493 /nfs/dbraw/zinc/80/74/93/987807493.db2.gz SVSAMQMUKOGOST-NSHDSACASA-N 1 3 238.375 1.674 20 0 BDADHO CC1(C)CC([NH2+][C@H]2CC23CNC3)CC(C)(C)O1 ZINC001246446691 987807496 /nfs/dbraw/zinc/80/74/96/987807496.db2.gz SVSAMQMUKOGOST-NSHDSACASA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)C1CC1 ZINC001474756352 987818201 /nfs/dbraw/zinc/81/82/01/987818201.db2.gz CVCBODRNAKOLIH-WKSBVSIWSA-N 1 3 208.349 1.715 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CCN1 ZINC001246463613 987822649 /nfs/dbraw/zinc/82/26/49/987822649.db2.gz WHHQZHCCVORYSN-YVECIDJPSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246479390 987838973 /nfs/dbraw/zinc/83/89/73/987838973.db2.gz UWVZHAYJLZKZMG-BNOWGMLFSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H]1C[C@@H](NC[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506130 987858371 /nfs/dbraw/zinc/85/83/71/987858371.db2.gz VQDLVXDLCCDSOO-QEJZJMRPSA-N 1 3 248.370 1.493 20 0 BDADHO C[C@H]1C[C@@H](NC[C@@H]2Cc3ccccc3CN2)C[NH2+]1 ZINC001246504923 987858860 /nfs/dbraw/zinc/85/88/60/987858860.db2.gz GPKNZODMKIPFGV-GLQYFDAESA-N 1 3 245.370 1.041 20 0 BDADHO C[C@@H]1C[C@H](N[C@@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511778 987861718 /nfs/dbraw/zinc/86/17/18/987861718.db2.gz RRXYHFOAHIDQBU-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@]2(C)CCCOC2)CCN1 ZINC001246511778 987861724 /nfs/dbraw/zinc/86/17/24/987861724.db2.gz RRXYHFOAHIDQBU-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO CCCC[C@@H]1C[C@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246533760 987889440 /nfs/dbraw/zinc/88/94/40/987889440.db2.gz NZQQLHGNIDZUOT-NDBYEHHHSA-N 1 3 243.370 1.278 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543105 987908100 /nfs/dbraw/zinc/90/81/00/987908100.db2.gz TVLOEZJUKZTTEZ-TUAOUCFPSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543105 987908106 /nfs/dbraw/zinc/90/81/06/987908106.db2.gz TVLOEZJUKZTTEZ-TUAOUCFPSA-N 1 3 212.337 1.367 20 0 BDADHO COC(=O)[C@H]1CCC[C@H]([N@@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542020 987909698 /nfs/dbraw/zinc/90/96/98/987909698.db2.gz IODLXQGXMOSBJU-NOOOWODRSA-N 1 3 240.347 1.140 20 0 BDADHO COC(=O)[C@H]1CCC[C@H]([N@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542020 987909704 /nfs/dbraw/zinc/90/97/04/987909704.db2.gz IODLXQGXMOSBJU-NOOOWODRSA-N 1 3 240.347 1.140 20 0 BDADHO C[C@H]1C[N@@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1CN ZINC001246541022 987911177 /nfs/dbraw/zinc/91/11/77/987911177.db2.gz LKDDVCNUKTUBGH-OFTGVCEQSA-N 1 3 222.376 1.948 20 0 BDADHO C[C@H]1C[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1CN ZINC001246541022 987911185 /nfs/dbraw/zinc/91/11/85/987911185.db2.gz LKDDVCNUKTUBGH-OFTGVCEQSA-N 1 3 222.376 1.948 20 0 BDADHO C[C@@H](Cc1cccnc1)N1CCC[C@H]([NH3+])CC1 ZINC001246548196 987939515 /nfs/dbraw/zinc/93/95/15/987939515.db2.gz SPLYOHDTJUXIPH-JSGCOSHPSA-N 1 3 233.359 1.826 20 0 BDADHO CC[C@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552697 987955841 /nfs/dbraw/zinc/95/58/41/987955841.db2.gz YXKZYXSYCOMAKD-NOOOWODRSA-N 1 3 212.337 1.366 20 0 BDADHO CC(C)CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557839 987976116 /nfs/dbraw/zinc/97/61/16/987976116.db2.gz IWPARWSYGYTLTE-QJPTWQEYSA-N 1 3 214.353 1.205 20 0 BDADHO CC(C)CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557839 987976121 /nfs/dbraw/zinc/97/61/21/987976121.db2.gz IWPARWSYGYTLTE-QJPTWQEYSA-N 1 3 214.353 1.205 20 0 BDADHO CC(C)CC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557839 987976129 /nfs/dbraw/zinc/97/61/29/987976129.db2.gz IWPARWSYGYTLTE-QJPTWQEYSA-N 1 3 214.353 1.205 20 0 BDADHO CCC[C@H](C)CC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561536 987998185 /nfs/dbraw/zinc/99/81/85/987998185.db2.gz VPRROJAWHZFXBC-IGQOVBAYSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561536 987998204 /nfs/dbraw/zinc/99/82/04/987998204.db2.gz VPRROJAWHZFXBC-IGQOVBAYSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@H](C)CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561536 987998223 /nfs/dbraw/zinc/99/82/23/987998223.db2.gz VPRROJAWHZFXBC-IGQOVBAYSA-N 1 3 242.407 1.985 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH2+]C)C1(C)C ZINC001118122049 988026126 /nfs/dbraw/zinc/02/61/26/988026126.db2.gz NGOZMBUCKLFCHM-QJPTWQEYSA-N 1 3 228.380 1.778 20 0 BDADHO CC[C@H](Cc1ccccc1)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578752 988088979 /nfs/dbraw/zinc/08/89/79/988088979.db2.gz BXMXIIGFXJPUJO-ZNMIVQPWSA-N 1 3 248.370 1.259 20 0 BDADHO CC[C@H](Cc1ccccc1)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578752 988088992 /nfs/dbraw/zinc/08/89/92/988088992.db2.gz BXMXIIGFXJPUJO-ZNMIVQPWSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586564 988148244 /nfs/dbraw/zinc/14/82/44/988148244.db2.gz RGSBJDUSWQZTGG-ZDEQEGDKSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586564 988148268 /nfs/dbraw/zinc/14/82/68/988148268.db2.gz RGSBJDUSWQZTGG-ZDEQEGDKSA-N 1 3 240.391 1.453 20 0 BDADHO CCCC1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC001118251029 988151779 /nfs/dbraw/zinc/15/17/79/988151779.db2.gz DTOBTMNWWPCAPP-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588954 988153797 /nfs/dbraw/zinc/15/37/97/988153797.db2.gz YBPCWYDHSMKMDY-GXTWGEPZSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)CC(CC(C)C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588954 988153802 /nfs/dbraw/zinc/15/38/02/988153802.db2.gz YBPCWYDHSMKMDY-GXTWGEPZSA-N 1 3 242.407 1.699 20 0 BDADHO C[NH2+][C@H](C)CCNC(=O)[C@H](N)C1CCCCC1 ZINC001118256391 988158021 /nfs/dbraw/zinc/15/80/21/988158021.db2.gz SCGSYNHBBFAKES-ZYHUDNBSSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609688 988221844 /nfs/dbraw/zinc/22/18/44/988221844.db2.gz MSMAHNJHACJBHL-BFHYXJOUSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609688 988221862 /nfs/dbraw/zinc/22/18/62/988221862.db2.gz MSMAHNJHACJBHL-BFHYXJOUSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@H](N2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609688 988221881 /nfs/dbraw/zinc/22/18/81/988221881.db2.gz MSMAHNJHACJBHL-BFHYXJOUSA-N 1 3 238.375 1.772 20 0 BDADHO CC1(C)C[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246630261 988309015 /nfs/dbraw/zinc/30/90/15/988309015.db2.gz HZZBRRMGGWLIFX-SDDRHHMPSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1CC(N2CC[C@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001246641661 988349863 /nfs/dbraw/zinc/34/98/63/988349863.db2.gz WXRZBILFMHUNHE-FPQZTECRSA-N 1 3 224.348 1.379 20 0 BDADHO COC(C)(C)[C@H]1CCC[N@@H+]1[C@H]1CCCNC1 ZINC001246812330 988497252 /nfs/dbraw/zinc/49/72/52/988497252.db2.gz YUIFUENSWDECDY-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)[C@H]1CCC[N@H+]1[C@H]1CCCNC1 ZINC001246812330 988497257 /nfs/dbraw/zinc/49/72/57/988497257.db2.gz YUIFUENSWDECDY-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246818240 988505580 /nfs/dbraw/zinc/50/55/80/988505580.db2.gz AYFGMXLJZCGCGT-RNJOBUHISA-N 1 3 243.370 1.134 20 0 BDADHO CCCC[C@H]1C[C@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246820382 988508934 /nfs/dbraw/zinc/50/89/34/988508934.db2.gz NZQQLHGNIDZUOT-QNWHQSFQSA-N 1 3 243.370 1.278 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CCN1 ZINC001246855072 988579419 /nfs/dbraw/zinc/57/94/19/988579419.db2.gz SGLCLDWCIZICLW-RDBSUJKOSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCOC3)CCN1 ZINC001246855072 988579434 /nfs/dbraw/zinc/57/94/34/988579434.db2.gz SGLCLDWCIZICLW-RDBSUJKOSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](Cc1ccncc1)[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246862091 988600721 /nfs/dbraw/zinc/60/07/21/988600721.db2.gz PWJAKPINCZCQMN-KWCYVHTRSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1ccncc1)[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246862091 988600726 /nfs/dbraw/zinc/60/07/26/988600726.db2.gz PWJAKPINCZCQMN-KWCYVHTRSA-N 1 3 231.343 1.436 20 0 BDADHO CCCC[C@@H]1C[C@@H](N2CC[C@@H]2NC)CC[NH2+]1 ZINC001246901915 988675594 /nfs/dbraw/zinc/67/55/94/988675594.db2.gz FOJLRPSBRZPSQR-FRRDWIJNSA-N 1 3 225.380 1.548 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]1CN)C2 ZINC001246907642 988690758 /nfs/dbraw/zinc/69/07/58/988690758.db2.gz GIVREJKUDPJGCR-RQJABVFESA-N 1 3 237.391 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]1CN)C2 ZINC001246907642 988690792 /nfs/dbraw/zinc/69/07/92/988690792.db2.gz GIVREJKUDPJGCR-RQJABVFESA-N 1 3 237.391 1.425 20 0 BDADHO CCN(CCC(=O)OC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246918553 988712804 /nfs/dbraw/zinc/71/28/04/988712804.db2.gz FGPQZOLLUVRGHH-WDEREUQCSA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@H+](CCC(=O)OC)[C@@H]1CCN[C@@H](C)C1 ZINC001246918553 988712815 /nfs/dbraw/zinc/71/28/15/988712815.db2.gz FGPQZOLLUVRGHH-WDEREUQCSA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@@H+](CCC(=O)OC)[C@@H]1CCN[C@@H](C)C1 ZINC001246918553 988712831 /nfs/dbraw/zinc/71/28/31/988712831.db2.gz FGPQZOLLUVRGHH-WDEREUQCSA-N 1 3 228.336 1.012 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@H]1CN ZINC001246918047 988722011 /nfs/dbraw/zinc/72/20/11/988722011.db2.gz TUHCVAQZXWBRGT-VXGBXAGGSA-N 1 3 242.363 1.530 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H]1CN ZINC001246918047 988722037 /nfs/dbraw/zinc/72/20/37/988722037.db2.gz TUHCVAQZXWBRGT-VXGBXAGGSA-N 1 3 242.363 1.530 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)CCN1 ZINC001246919850 988723019 /nfs/dbraw/zinc/72/30/19/988723019.db2.gz SCVXOZATYXWRHW-SYQHCUMBSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCCN(C)[C@H]3C2)CCN1 ZINC001246919850 988723037 /nfs/dbraw/zinc/72/30/37/988723037.db2.gz SCVXOZATYXWRHW-SYQHCUMBSA-N 1 3 237.391 1.153 20 0 BDADHO CC(C)N1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980772 988811733 /nfs/dbraw/zinc/81/17/33/988811733.db2.gz SMYFBYCJTRUOMJ-RDBSUJKOSA-N 1 3 239.407 1.541 20 0 BDADHO CCN1CCN([C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1C ZINC001246998907 988831393 /nfs/dbraw/zinc/83/13/93/988831393.db2.gz HPIQXRZBQFQBQF-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO CCN1CCN([C@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997926 988832704 /nfs/dbraw/zinc/83/27/04/988832704.db2.gz WDWGGQBVTRAPLR-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO CCN1CCN([C@@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997358 988833311 /nfs/dbraw/zinc/83/33/11/988833311.db2.gz UDPYIDZINOGPTG-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO CCN1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C[C@H]1C ZINC001247002726 988835170 /nfs/dbraw/zinc/83/51/70/988835170.db2.gz TYGWWTROAYGBCB-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001122017896 990188256 /nfs/dbraw/zinc/18/82/56/990188256.db2.gz ZCZMAXDIYXEFHY-QCNOEVLYSA-N 1 3 241.379 1.136 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)[C@H]1CCCO1 ZINC001308984901 991250589 /nfs/dbraw/zinc/25/05/89/991250589.db2.gz QFHXKHLBJGQZKT-MEBFFEOJSA-N 1 3 238.375 1.484 20 0 BDADHO COC(=O)CC[C@@H](C)NC(C)(C)C(C)(C)[NH3+] ZINC001258358899 991298767 /nfs/dbraw/zinc/29/87/67/991298767.db2.gz MLSMRTOUUQLWCT-SECBINFHSA-N 1 3 230.352 1.434 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCSCC3)[C@H]2C1 ZINC001560623516 991527720 /nfs/dbraw/zinc/52/77/20/991527720.db2.gz ZPRGEOYSTALLFM-WCFLWFBJSA-N 1 3 240.416 1.812 20 0 BDADHO C[C@H](Cc1cccnc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001258630265 991571077 /nfs/dbraw/zinc/57/10/77/991571077.db2.gz QEWDFCUCHUOPLW-YUELXQCFSA-N 1 3 245.370 1.506 20 0 BDADHO C[C@H](Cc1cccnc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001258630265 991571086 /nfs/dbraw/zinc/57/10/86/991571086.db2.gz QEWDFCUCHUOPLW-YUELXQCFSA-N 1 3 245.370 1.506 20 0 BDADHO CCCN1CCC([N@H+](CC)C2CN(C)C2)CC1 ZINC001258776904 991743401 /nfs/dbraw/zinc/74/34/01/991743401.db2.gz IOZYYAQEUQZENS-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN1CCC([N@@H+](CC)C2CN(C)C2)CC1 ZINC001258776904 991743409 /nfs/dbraw/zinc/74/34/09/991743409.db2.gz IOZYYAQEUQZENS-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO COc1ccccc1C[C@@H](C)NC(C)(C)C[NH3+] ZINC001258879180 991887181 /nfs/dbraw/zinc/88/71/81/991887181.db2.gz CNKAHEDFXPSOHA-LLVKDONJSA-N 1 3 236.359 1.953 20 0 BDADHO CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001570653705 992495981 /nfs/dbraw/zinc/49/59/81/992495981.db2.gz VBNRUERVIHZCNL-RYUDHWBXSA-N 1 3 243.395 1.219 20 0 BDADHO CCCC[N@H+](CCOC)C1CCNCC1 ZINC001573735680 992689982 /nfs/dbraw/zinc/68/99/82/992689982.db2.gz QHPNITJYDRXKQC-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CCCC[N@@H+](CCOC)C1CCNCC1 ZINC001573735680 992689997 /nfs/dbraw/zinc/68/99/97/992689997.db2.gz QHPNITJYDRXKQC-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CCCCN(CCOC)C1CC[NH2+]CC1 ZINC001573735680 992690008 /nfs/dbraw/zinc/69/00/08/992690008.db2.gz QHPNITJYDRXKQC-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO C(NC1([C@@H]2CCCO2)CCC1)[C@H]1CC[NH2+]C1 ZINC001574816507 992917856 /nfs/dbraw/zinc/91/78/56/992917856.db2.gz GXFJTAZUCPXTBL-RYUDHWBXSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)(CN)C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC001575315285 993005573 /nfs/dbraw/zinc/00/55/73/993005573.db2.gz NEGTYCBFFJFOHA-JTQLQIEISA-N 1 3 249.349 1.290 20 0 BDADHO CC(C)(C[NH3+])CNC[C@@H]1CCCN1CC(F)F ZINC001575315285 993005583 /nfs/dbraw/zinc/00/55/83/993005583.db2.gz NEGTYCBFFJFOHA-JTQLQIEISA-N 1 3 249.349 1.290 20 0 BDADHO CC(C)(C[NH3+])CNC[C@]12OCCC[C@H]1C2(F)F ZINC001575315079 993009556 /nfs/dbraw/zinc/00/95/56/993009556.db2.gz GTOJDQGLYJWHAY-KOLCDFICSA-N 1 3 248.317 1.375 20 0 BDADHO CC(C)C[C@@H](O)CNC[C@H]([NH3+])CC(F)(F)F ZINC001575548883 993070349 /nfs/dbraw/zinc/07/03/49/993070349.db2.gz CIMFNGZRUPGAAA-RKDXNWHRSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)CC[C@@H](CO)NC[C@@H]([NH3+])CC(F)F ZINC001575556649 993072655 /nfs/dbraw/zinc/07/26/55/993072655.db2.gz ZXXMWRRLKNVIRI-UWVGGRQHSA-N 1 3 238.322 1.356 20 0 BDADHO CC(C)C[C@@H](CO)NC[C@H]([NH3+])CC(F)(F)F ZINC001575618908 993086862 /nfs/dbraw/zinc/08/68/62/993086862.db2.gz PMYIAYGUVHTUBZ-BDAKNGLRSA-N 1 3 242.285 1.263 20 0 BDADHO C[C@@H](C[NH2+]C[C@H](N)CC(F)F)N(C)C1CC1 ZINC001576032346 993162411 /nfs/dbraw/zinc/16/24/11/993162411.db2.gz CHZQFMOGLKKPPG-DTWKUNHWSA-N 1 3 235.322 1.041 20 0 BDADHO C[C@H](Cc1ccno1)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576065638 993171639 /nfs/dbraw/zinc/17/16/39/993171639.db2.gz GOIJYXAHXOXRKR-FBIMIBRVSA-N 1 3 223.320 1.321 20 0 BDADHO N[C@H](CC(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC001263266330 993199597 /nfs/dbraw/zinc/19/95/97/993199597.db2.gz LTQRFRVRTQQZIH-MRVPVSSYSA-N 1 3 243.257 1.066 20 0 BDADHO C[C@@H](NC(C)(C)C[NH3+])[C@@H]1CCCCO1 ZINC001576234351 993221630 /nfs/dbraw/zinc/22/16/30/993221630.db2.gz WCAFLTIWYIKDHS-ZJUUUORDSA-N 1 3 200.326 1.271 20 0 BDADHO CC1(C)[C@H](NCCOCC2CCC2)C[C@@H]1[NH3+] ZINC001576380734 993286572 /nfs/dbraw/zinc/28/65/72/993286572.db2.gz XQSKDHXKFODOOA-NWDGAFQWSA-N 1 3 226.364 1.519 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380557 993287469 /nfs/dbraw/zinc/28/74/69/993287469.db2.gz UNHBTLRZPDXCMR-GEVSDDDWSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380557 993287481 /nfs/dbraw/zinc/28/74/81/993287481.db2.gz UNHBTLRZPDXCMR-GEVSDDDWSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)[C@H](C[NH2+][C@H]2C[C@@H](N)C2(C)C)C1(F)F ZINC001576384049 993292943 /nfs/dbraw/zinc/29/29/43/993292943.db2.gz SUMOEZPIDUCDTK-YIZRAAEISA-N 1 3 232.318 1.993 20 0 BDADHO CC1(C)[C@H](CN[C@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384049 993292953 /nfs/dbraw/zinc/29/29/53/993292953.db2.gz SUMOEZPIDUCDTK-YIZRAAEISA-N 1 3 232.318 1.993 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN(C)CC(C)C ZINC000379993862 993301236 /nfs/dbraw/zinc/30/12/36/993301236.db2.gz YZZOOZGDHQOROA-GFCCVEGCSA-N 1 3 216.369 1.277 20 0 BDADHO CC1(C)CCC[C@@]1(O)C[NH2+]CC12CC(C1)CN2 ZINC001576426093 993304093 /nfs/dbraw/zinc/30/40/93/993304093.db2.gz AOEXUQNCEXVAHQ-UXUKBGGZSA-N 1 3 238.375 1.269 20 0 BDADHO C[C@]1(CNC[C@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518752 993328263 /nfs/dbraw/zinc/32/82/63/993328263.db2.gz GNTHWBODBGIZIF-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@]1(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC[NH2+]C1 ZINC001576525577 993329528 /nfs/dbraw/zinc/32/95/28/993329528.db2.gz GWMHAHQAUYALQK-QTJJRWQNSA-N 1 3 236.359 1.142 20 0 BDADHO CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@H](CN)C1 ZINC000380684777 993341434 /nfs/dbraw/zinc/34/14/34/993341434.db2.gz HFWVMXWZQLDURQ-VXGBXAGGSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@H](CN)C1 ZINC000380684777 993341439 /nfs/dbraw/zinc/34/14/39/993341439.db2.gz HFWVMXWZQLDURQ-VXGBXAGGSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@H]1C[NH2+]CC12CC(C1)CN2 ZINC001576681776 993393507 /nfs/dbraw/zinc/39/35/07/993393507.db2.gz NGEVARSRVMXKIU-IGJPJIBNSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H]1CCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC001576681776 993393512 /nfs/dbraw/zinc/39/35/12/993393512.db2.gz NGEVARSRVMXKIU-IGJPJIBNSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H](O)[C@H]1C[C@H](C)CCN1CCC[NH2+]C1CC1 ZINC001576730988 993408365 /nfs/dbraw/zinc/40/83/65/993408365.db2.gz BPRBWXUQKRSAAB-YRGRVCCFSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1CCN(C[C@H]2COC(C)(C)O2)C[C@H]1C[NH3+] ZINC001576731686 993410600 /nfs/dbraw/zinc/41/06/00/993410600.db2.gz MVSLRVJEHNTKJU-UTUOFQBUSA-N 1 3 242.363 1.055 20 0 BDADHO C[N@@H+]1CCC[C@H](NCCOC(F)(F)F)CC1 ZINC000381742498 993415524 /nfs/dbraw/zinc/41/55/24/993415524.db2.gz PFGYZBOTQXBJRV-VIFPVBQESA-N 1 3 240.269 1.597 20 0 BDADHO C[N@H+]1CCC[C@H](NCCOC(F)(F)F)CC1 ZINC000381742498 993415530 /nfs/dbraw/zinc/41/55/30/993415530.db2.gz PFGYZBOTQXBJRV-VIFPVBQESA-N 1 3 240.269 1.597 20 0 BDADHO CCC(C)(C)OCCNCC1(C[NH3+])CC1 ZINC001576947961 993462417 /nfs/dbraw/zinc/46/24/17/993462417.db2.gz INYNBGPIDOHFNL-UHFFFAOYSA-N 1 3 214.353 1.520 20 0 BDADHO CC[C@H](C)C[C@@H](CO)[NH2+]CC(C)(C)CN ZINC001576971450 993475181 /nfs/dbraw/zinc/47/51/81/993475181.db2.gz PJFDDOABFSIGQF-QWRGUYRKSA-N 1 3 216.369 1.358 20 0 BDADHO CC[C@H](C)[C@@H](CNC(C)(C)C[NH3+])OC ZINC001576972045 993477984 /nfs/dbraw/zinc/47/79/84/993477984.db2.gz QRFPYANLDRJTTJ-VHSXEESVSA-N 1 3 202.342 1.374 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](C)[C@@H]1COc2ccccc2C1 ZINC001577124438 993509456 /nfs/dbraw/zinc/50/94/56/993509456.db2.gz APPQYBVDUPVGFO-XBFCOCLRSA-N 1 3 248.370 1.953 20 0 BDADHO Cc1nc2c(n1C1CC[NH+](C)CC1)CNCC2 ZINC000383898814 993526024 /nfs/dbraw/zinc/52/60/24/993526024.db2.gz NGMGMGBXJWIBBZ-UHFFFAOYSA-N 1 3 234.347 1.104 20 0 BDADHO CC[C@@]1(C)CCCN(C[C@]2(O)CC[NH2+]C2)C1 ZINC001577205655 993547738 /nfs/dbraw/zinc/54/77/38/993547738.db2.gz VVTYUEMRNDHTJA-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001577240812 993557995 /nfs/dbraw/zinc/55/79/95/993557995.db2.gz NDEVMAFQERYNKY-YFKTTZPYSA-N 1 3 212.337 1.271 20 0 BDADHO CCC[C@@H](CNC[C@]12CCC[C@H]1[NH2+]CC2)OC ZINC001577357600 993611868 /nfs/dbraw/zinc/61/18/68/993611868.db2.gz BKKBUDUXOFMKDA-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)N1CC[C@H]([NH2+][C@H]2CCCN(C)CC2)C1 ZINC000389315887 993743881 /nfs/dbraw/zinc/74/38/81/993743881.db2.gz GPGNUTHYGYRUCU-KBPBESRZSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H]1CN(CC2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000724414092 994064491 /nfs/dbraw/zinc/06/44/91/994064491.db2.gz JXABGDJTPCDKSJ-PRULPYPASA-N 1 3 226.364 1.469 20 0 BDADHO C[C@H]([C@H](C)O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040231 995527048 /nfs/dbraw/zinc/52/70/48/995527048.db2.gz KLOLVBQWNACVRO-UPJWGTAASA-N 1 3 249.358 1.361 20 0 BDADHO CN(CCn1ccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336686078 187320974 /nfs/dbraw/zinc/32/09/74/187320974.db2.gz FUYGIIGYEJRWOE-CYBMUJFWSA-N 1 3 236.363 1.157 20 0 BDADHO CN(CCn1ccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336686078 187320975 /nfs/dbraw/zinc/32/09/75/187320975.db2.gz FUYGIIGYEJRWOE-CYBMUJFWSA-N 1 3 236.363 1.157 20 0 BDADHO COC[C@H](C)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000580269762 346814992 /nfs/dbraw/zinc/81/49/92/346814992.db2.gz VJKJDAPWDPFFCC-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO CC(C)[C@H](CO)[NH2+]CC[C@@H]1CCCN1C ZINC000336762205 187322973 /nfs/dbraw/zinc/32/29/73/187322973.db2.gz NXWSYUHWDHIVPG-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)Cc1cccs1 ZINC000379574827 398152892 /nfs/dbraw/zinc/15/28/92/398152892.db2.gz LAHAQUUTDFAWQL-NXEZZACHSA-N 1 3 212.362 1.864 20 0 BDADHO C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CCN2C1 ZINC000157464724 136213829 /nfs/dbraw/zinc/21/38/29/136213829.db2.gz KVJXTTURKVJTNR-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOCC1CCCC1 ZINC000313278285 398182130 /nfs/dbraw/zinc/18/21/30/398182130.db2.gz FQGTXZIBHKHEQI-UONOGXRCSA-N 1 3 240.391 1.910 20 0 BDADHO CC(C)CN(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000380055515 398182131 /nfs/dbraw/zinc/18/21/31/398182131.db2.gz YEBGHNRLMBDBRU-LBPRGKRZSA-N 1 3 216.369 1.275 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313278285 398182133 /nfs/dbraw/zinc/18/21/33/398182133.db2.gz FQGTXZIBHKHEQI-UONOGXRCSA-N 1 3 240.391 1.910 20 0 BDADHO CC(C)CN(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000380055515 398182134 /nfs/dbraw/zinc/18/21/34/398182134.db2.gz YEBGHNRLMBDBRU-LBPRGKRZSA-N 1 3 216.369 1.275 20 0 BDADHO COCC1(CC[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000576227803 365530025 /nfs/dbraw/zinc/53/00/25/365530025.db2.gz IZNDXUDENHYHTH-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO c1cn(C2CCN(C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000649412120 398213773 /nfs/dbraw/zinc/21/37/73/398213773.db2.gz LXMVJJXBHFKZJV-LBPRGKRZSA-N 1 3 234.347 1.130 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000380980431 398216556 /nfs/dbraw/zinc/21/65/56/398216556.db2.gz CHGXLPNFZFJTGS-CHWSQXEVSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000380980431 398216560 /nfs/dbraw/zinc/21/65/60/398216560.db2.gz CHGXLPNFZFJTGS-CHWSQXEVSA-N 1 3 228.380 1.562 20 0 BDADHO Cc1cc(C)n(CCN2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000386750725 398219091 /nfs/dbraw/zinc/21/90/91/398219091.db2.gz GLZVNXHCCAOQHT-STQMWFEESA-N 1 3 236.363 1.169 20 0 BDADHO Cc1n[nH]cc1[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000643512132 398224596 /nfs/dbraw/zinc/22/45/96/398224596.db2.gz QQNZCNVMIWRCMA-XHVZSJERSA-N 1 3 236.363 1.886 20 0 BDADHO O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCCNCC1 ZINC000252791092 136226936 /nfs/dbraw/zinc/22/69/36/136226936.db2.gz SYXQEORIHDDVFO-RWMBFGLXSA-N 1 3 226.364 1.269 20 0 BDADHO O[C@@H]1CCCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252791092 136226937 /nfs/dbraw/zinc/22/69/37/136226937.db2.gz SYXQEORIHDDVFO-RWMBFGLXSA-N 1 3 226.364 1.269 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000252777152 136226956 /nfs/dbraw/zinc/22/69/56/136226956.db2.gz KUXJKMIIFIGTHT-ZLKJLUDKSA-N 1 3 232.327 1.900 20 0 BDADHO C[N@H+](C[C@@H]1CCCCO1)C1CCNCC1 ZINC000036300544 398260807 /nfs/dbraw/zinc/26/08/07/398260807.db2.gz HPCPRDNRFWPCFQ-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO C[N@@H+](C[C@@H]1CCCCO1)C1CCNCC1 ZINC000036300544 398260811 /nfs/dbraw/zinc/26/08/11/398260811.db2.gz HPCPRDNRFWPCFQ-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CN(C)C ZINC000378758787 346826480 /nfs/dbraw/zinc/82/64/80/346826480.db2.gz ZQEFCAFWKBNHEK-WUHRBBMRSA-N 1 3 210.365 1.962 20 0 BDADHO COC[C@@H](NCCC[NH2+]C(C)C)C(C)C ZINC000583988541 342829912 /nfs/dbraw/zinc/82/99/12/342829912.db2.gz ZAPKSLVOLKMVPA-GFCCVEGCSA-N 1 3 216.369 1.635 20 0 BDADHO CCN(CC)C[C@@H](C)[NH2+]C1CCN(CC)CC1 ZINC000045689931 538993115 /nfs/dbraw/zinc/99/31/15/538993115.db2.gz HJVKLUMNUHVHQY-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO Cn1nccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634216 136241407 /nfs/dbraw/zinc/24/14/07/136241407.db2.gz NSQXKOAFABTUCH-OLZOCXBDSA-N 1 3 248.374 1.242 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000335646058 136244093 /nfs/dbraw/zinc/24/40/93/136244093.db2.gz KEBGTYOMYZSIKO-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2C[C@@](C)(O)C2)CC1 ZINC000335645696 136243614 /nfs/dbraw/zinc/24/36/14/136243614.db2.gz ICTLPLKCXFKBBU-BETUJISGSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H]([NH3+])CC(=O)Nc1cccc(CN(C)C)c1 ZINC000037607962 398332487 /nfs/dbraw/zinc/33/24/87/398332487.db2.gz NZTZTSKICPCKOR-JTQLQIEISA-N 1 3 235.331 1.424 20 0 BDADHO C[C@H](F)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000351751867 136251165 /nfs/dbraw/zinc/25/11/65/136251165.db2.gz DJDNMABOWUZKRZ-WDEREUQCSA-N 1 3 202.317 1.618 20 0 BDADHO CC(C)C[C@H](C)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313354102 259334084 /nfs/dbraw/zinc/33/40/84/259334084.db2.gz QARRZMCEJUKDFR-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccccc2N(C)C)C1 ZINC000351856750 136258400 /nfs/dbraw/zinc/25/84/00/136258400.db2.gz WATJLUKKLBQJAV-CHWSQXEVSA-N 1 3 247.386 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@H]1CCOC1 ZINC000305250995 529621347 /nfs/dbraw/zinc/62/13/47/529621347.db2.gz HLBSECYRTHQGMQ-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000127926910 187233015 /nfs/dbraw/zinc/23/30/15/187233015.db2.gz LNSQVRFMNHHJOJ-MGPQQGTHSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000127926910 187233017 /nfs/dbraw/zinc/23/30/17/187233017.db2.gz LNSQVRFMNHHJOJ-MGPQQGTHSA-N 1 3 240.391 1.419 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3c(c2)OCO3)C1 ZINC000093210139 343151351 /nfs/dbraw/zinc/15/13/51/343151351.db2.gz FHDAUBWPGKKCAA-NEPJUHHUSA-N 1 3 248.326 1.775 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)CC1CCC1 ZINC000379926024 365738516 /nfs/dbraw/zinc/73/85/16/365738516.db2.gz UEXDOBVQASXGDW-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)CC1CCC1 ZINC000379926024 365738522 /nfs/dbraw/zinc/73/85/22/365738522.db2.gz UEXDOBVQASXGDW-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO COC[C@H](C)C[NH2+]CC1=CCN(C)CC1 ZINC000379927845 365738820 /nfs/dbraw/zinc/73/88/20/365738820.db2.gz MNXCMHBUXCOMOQ-LLVKDONJSA-N 1 3 212.337 1.120 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@H](C)COC ZINC000153343998 343198347 /nfs/dbraw/zinc/19/83/47/343198347.db2.gz LIZCINSYYSJKEX-LBPRGKRZSA-N 1 3 216.369 1.590 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCC[C@H]3C[NH2+]CC[C@H]32)O1 ZINC000634688511 343247976 /nfs/dbraw/zinc/24/79/76/343247976.db2.gz VBFUBPYLCHSQQP-XJFOESAGSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3CNCC[C@H]32)O1 ZINC000634688511 343247977 /nfs/dbraw/zinc/24/79/77/343247977.db2.gz VBFUBPYLCHSQQP-XJFOESAGSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3CNCC[C@H]32)O1 ZINC000634688511 343247978 /nfs/dbraw/zinc/24/79/78/343247978.db2.gz VBFUBPYLCHSQQP-XJFOESAGSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H](C[NH3+])C(C)(C)C)O1 ZINC000634688492 343248163 /nfs/dbraw/zinc/24/81/63/343248163.db2.gz UMMMRWYGDUSARF-MXWKQRLJSA-N 1 3 214.353 1.517 20 0 BDADHO COC[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000308572452 488208761 /nfs/dbraw/zinc/20/87/61/488208761.db2.gz CKBPUJUSXPSNHZ-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@H](C)NCC[C@@H]1CCC[N@@H+]1C ZINC000308572452 488208763 /nfs/dbraw/zinc/20/87/63/488208763.db2.gz CKBPUJUSXPSNHZ-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@H](C)NCC[C@@H]1CCC[N@H+]1C ZINC000308572452 488208766 /nfs/dbraw/zinc/20/87/66/488208766.db2.gz CKBPUJUSXPSNHZ-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@](C)(CN)C1CC1 ZINC000348753843 136296749 /nfs/dbraw/zinc/29/67/49/136296749.db2.gz YBDCWHVTVPVWDK-ZDUSSCGKSA-N 1 3 236.363 1.299 20 0 BDADHO Cc1nccn1CCCN1CCC[C@H]1C[NH3+] ZINC000348755112 136297084 /nfs/dbraw/zinc/29/70/84/136297084.db2.gz GCLPCIPDXTZHGO-LBPRGKRZSA-N 1 3 222.336 1.005 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCC[C@H]1CN ZINC000348755112 136297085 /nfs/dbraw/zinc/29/70/85/136297085.db2.gz GCLPCIPDXTZHGO-LBPRGKRZSA-N 1 3 222.336 1.005 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCC[C@H]1CN ZINC000348755112 136297086 /nfs/dbraw/zinc/29/70/86/136297086.db2.gz GCLPCIPDXTZHGO-LBPRGKRZSA-N 1 3 222.336 1.005 20 0 BDADHO Cc1c[nH]nc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635194 136300758 /nfs/dbraw/zinc/30/07/58/136300758.db2.gz QXEHSDVTOTWGAU-CHWSQXEVSA-N 1 3 248.374 1.540 20 0 BDADHO [NH3+]C1(CN[C@@H]2CCCSC2)CCC1 ZINC000335647917 136304407 /nfs/dbraw/zinc/30/44/07/136304407.db2.gz COFOQDLSFARINY-SECBINFHSA-N 1 3 200.351 1.353 20 0 BDADHO CN(C)CCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000033465253 187256701 /nfs/dbraw/zinc/25/67/01/187256701.db2.gz HOKIDAVKGRFOOW-UHFFFAOYSA-N 1 3 234.343 1.879 20 0 BDADHO C[NH+](C)C1CCN(C[C@@H]2CCCOC2)CC1 ZINC000335691338 136325455 /nfs/dbraw/zinc/32/54/55/136325455.db2.gz CRWXSCOTYYOBEN-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)N(C)C ZINC000349147380 136325965 /nfs/dbraw/zinc/32/59/65/136325965.db2.gz XMTPYTLGZOJBCW-RYUDHWBXSA-N 1 3 243.395 1.029 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000166255768 136326562 /nfs/dbraw/zinc/32/65/62/136326562.db2.gz VWHCZMKWABGXSK-XBFCOCLRSA-N 1 3 239.407 1.256 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000166255858 136326727 /nfs/dbraw/zinc/32/67/27/136326727.db2.gz VWHCZMKWABGXSK-UBHSHLNASA-N 1 3 239.407 1.256 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335854127 136355931 /nfs/dbraw/zinc/35/59/31/136355931.db2.gz VTOGQOSFSVYIPY-ABXWRUBCSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cnn(C)c1 ZINC000044500608 343504317 /nfs/dbraw/zinc/50/43/17/343504317.db2.gz JGYSYZXSKHNGMC-WDEREUQCSA-N 1 3 224.352 1.411 20 0 BDADHO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)CN ZINC000379621691 343585913 /nfs/dbraw/zinc/58/59/13/343585913.db2.gz GFJWXSHIRCTXHE-VHSXEESVSA-N 1 3 212.362 1.864 20 0 BDADHO C[C@H](Cc1ccsc1)NC[C@@H](C)C[NH3+] ZINC000379621691 343585917 /nfs/dbraw/zinc/58/59/17/343585917.db2.gz GFJWXSHIRCTXHE-VHSXEESVSA-N 1 3 212.362 1.864 20 0 BDADHO CC(C)([NH3+])CN1CCN(C2CCCC2)CC1 ZINC000052063872 187271067 /nfs/dbraw/zinc/27/10/67/187271067.db2.gz DXIWKOLKJFBVHL-UHFFFAOYSA-N 1 3 225.380 1.284 20 0 BDADHO CSCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000178642456 346961639 /nfs/dbraw/zinc/96/16/39/346961639.db2.gz KNHOPYAVEAHOOQ-NEPJUHHUSA-N 1 3 228.405 1.766 20 0 BDADHO CSCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000178642456 346961642 /nfs/dbraw/zinc/96/16/42/346961642.db2.gz KNHOPYAVEAHOOQ-NEPJUHHUSA-N 1 3 228.405 1.766 20 0 BDADHO C[N@@H+]1CCC[C@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000392767670 349875879 /nfs/dbraw/zinc/87/58/79/349875879.db2.gz UMKPKPLOAKVLNC-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO C[N@H+]1CCC[C@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000392767670 349875881 /nfs/dbraw/zinc/87/58/81/349875881.db2.gz UMKPKPLOAKVLNC-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C[C@H]2C)C[C@@]1(C)CN ZINC000382849559 343899023 /nfs/dbraw/zinc/89/90/23/343899023.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 1 3 239.407 1.243 20 0 BDADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)C[C@H]2C)C[C@@]1(C)CN ZINC000382849559 343899024 /nfs/dbraw/zinc/89/90/24/343899024.db2.gz WPEGXRKVEWMARA-YIYPIFLZSA-N 1 3 239.407 1.243 20 0 BDADHO COC[C@@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733425 344113093 /nfs/dbraw/zinc/11/30/93/344113093.db2.gz FNTXKMVZKZNGEX-NWDGAFQWSA-N 1 3 228.380 1.637 20 0 BDADHO C(CN1CCO[C@@H]2CCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919582 187357846 /nfs/dbraw/zinc/35/78/46/187357846.db2.gz LFKHSYNDUJJOKI-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000600700819 344359664 /nfs/dbraw/zinc/35/96/64/344359664.db2.gz FICUQDFAXZWNPZ-NEPJUHHUSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)CCCC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000600700819 344359666 /nfs/dbraw/zinc/35/96/66/344359666.db2.gz FICUQDFAXZWNPZ-NEPJUHHUSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)CCCC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000600710536 344360704 /nfs/dbraw/zinc/36/07/04/344360704.db2.gz OKBXSMDQZAQZSK-DGCLKSJQSA-N 1 3 240.347 1.143 20 0 BDADHO COC(=O)CCCC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000600710536 344360706 /nfs/dbraw/zinc/36/07/06/344360706.db2.gz OKBXSMDQZAQZSK-DGCLKSJQSA-N 1 3 240.347 1.143 20 0 BDADHO COC(=O)C1CCC([NH2+][C@@H]2CCN[C@H]2C)CC1 ZINC000600773050 344372422 /nfs/dbraw/zinc/37/24/22/344372422.db2.gz MPOHVJFOGKRATI-WNYYMSAVSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000382006637 347054766 /nfs/dbraw/zinc/05/47/66/347054766.db2.gz BHJHPNKJPYHSFC-XKNYDFJKSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000382006637 347054769 /nfs/dbraw/zinc/05/47/69/347054769.db2.gz BHJHPNKJPYHSFC-XKNYDFJKSA-N 1 3 218.291 1.712 20 0 BDADHO CN(CCN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000583391708 344878018 /nfs/dbraw/zinc/87/80/18/344878018.db2.gz DLCODUPQGSQOCF-KBPBESRZSA-N 1 3 247.386 1.982 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339069038 537870899 /nfs/dbraw/zinc/87/08/99/537870899.db2.gz UJZVDLDKDHHOBS-XDQVBPFNSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339069038 537870910 /nfs/dbraw/zinc/87/09/10/537870910.db2.gz UJZVDLDKDHHOBS-XDQVBPFNSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000339069038 537870915 /nfs/dbraw/zinc/87/09/15/537870915.db2.gz UJZVDLDKDHHOBS-XDQVBPFNSA-N 1 3 240.391 1.610 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+](C)CCCC ZINC000154550985 345041906 /nfs/dbraw/zinc/04/19/06/345041906.db2.gz OVWWYHYHPRVTKD-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](C)CCCC ZINC000154550985 345041908 /nfs/dbraw/zinc/04/19/08/345041908.db2.gz OVWWYHYHPRVTKD-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C12CC(C1)CN2 ZINC000634996337 345187251 /nfs/dbraw/zinc/18/72/51/345187251.db2.gz HISNWNHABAWCIW-VFIJVLHUSA-N 1 3 206.333 1.517 20 0 BDADHO C(N[C@@H]1CCC[C@@H]2C[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634996337 345187255 /nfs/dbraw/zinc/18/72/55/345187255.db2.gz HISNWNHABAWCIW-VFIJVLHUSA-N 1 3 206.333 1.517 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000635003132 345205823 /nfs/dbraw/zinc/20/58/23/345205823.db2.gz GPAMMYMMYJWHPO-IJLUTSLNSA-N 1 3 214.353 1.125 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000635003902 345207108 /nfs/dbraw/zinc/20/71/08/345207108.db2.gz MJCMEXPPNSQOHM-UTUOFQBUSA-N 1 3 214.353 1.397 20 0 BDADHO CCC[C@H](CCO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004441 345207779 /nfs/dbraw/zinc/20/77/79/345207779.db2.gz OMFMTLJIXUQXLZ-FKJOKYEKSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@@H]1CCOC1 ZINC000635010225 345212938 /nfs/dbraw/zinc/21/29/38/345212938.db2.gz JEVFZKJITWTNSF-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635011883 345213841 /nfs/dbraw/zinc/21/38/41/345213841.db2.gz PXACSZVVTSTCSF-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446780485 537896365 /nfs/dbraw/zinc/89/63/65/537896365.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446780485 537896373 /nfs/dbraw/zinc/89/63/73/537896373.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)CCOC)C1 ZINC000446780485 537896379 /nfs/dbraw/zinc/89/63/79/537896379.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)CCOC)C1 ZINC000446780485 537896381 /nfs/dbraw/zinc/89/63/81/537896381.db2.gz KNKPKLVGKRDNCM-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000053033561 345338687 /nfs/dbraw/zinc/33/86/87/345338687.db2.gz XJBOOIHAQVDJFM-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367601845 187302185 /nfs/dbraw/zinc/30/21/85/187302185.db2.gz PWQNXLLAKGCHPE-MGPQQGTHSA-N 1 3 248.374 1.681 20 0 BDADHO Cc1nc(C)c(CNCCCC[NH+](C)C)o1 ZINC000390295896 345359021 /nfs/dbraw/zinc/35/90/21/345359021.db2.gz YHMAAHVLAQIXHY-UHFFFAOYSA-N 1 3 225.336 1.723 20 0 BDADHO COCCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000158707917 345368821 /nfs/dbraw/zinc/36/88/21/345368821.db2.gz ATHULPHXJVTDGX-FUNVUKJBSA-N 1 3 226.364 1.628 20 0 BDADHO COCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158906328 345389549 /nfs/dbraw/zinc/38/95/49/345389549.db2.gz CDLYIXOXIZCYQS-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO COCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158906328 345389554 /nfs/dbraw/zinc/38/95/54/345389554.db2.gz CDLYIXOXIZCYQS-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000531378754 323088326 /nfs/dbraw/zinc/08/83/26/323088326.db2.gz WGFRVINCPZRPLK-JHJVBQTASA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000531378754 323088327 /nfs/dbraw/zinc/08/83/27/323088327.db2.gz WGFRVINCPZRPLK-JHJVBQTASA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000393598571 345428006 /nfs/dbraw/zinc/42/80/06/345428006.db2.gz MCPIGECDUNHEIU-WDEREUQCSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000088728190 345544414 /nfs/dbraw/zinc/54/44/14/345544414.db2.gz BVPZRXMSXOFEBP-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO COc1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000203730695 345731162 /nfs/dbraw/zinc/73/11/62/345731162.db2.gz PKIUNVJQWHQCOA-CYBMUJFWSA-N 1 3 222.332 1.768 20 0 BDADHO C[NH+]1CCC(CNCc2cnc(C3CC3)o2)CC1 ZINC000628214160 345887037 /nfs/dbraw/zinc/88/70/37/345887037.db2.gz MRQOCWYKXDDDRW-UHFFFAOYSA-N 1 3 249.358 1.983 20 0 BDADHO Cc1cc(N2CCCN(C)CC2)cc[nH+]1 ZINC000145650543 345940081 /nfs/dbraw/zinc/94/00/81/345940081.db2.gz YWOQBKWAIJAGLY-UHFFFAOYSA-N 1 3 205.305 1.532 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000571038342 323104406 /nfs/dbraw/zinc/10/44/06/323104406.db2.gz MNGRVQWCPJJGLA-JHJVBQTASA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571038342 323104407 /nfs/dbraw/zinc/10/44/07/323104407.db2.gz MNGRVQWCPJJGLA-JHJVBQTASA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)OC(=O)CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000603432993 349953912 /nfs/dbraw/zinc/95/39/12/349953912.db2.gz LTUMDQMXBCAICY-UWVGGRQHSA-N 1 3 228.336 1.044 20 0 BDADHO CC(C)OC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000603432993 349953919 /nfs/dbraw/zinc/95/39/19/349953919.db2.gz LTUMDQMXBCAICY-UWVGGRQHSA-N 1 3 228.336 1.044 20 0 BDADHO COCCCCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000300358107 346340889 /nfs/dbraw/zinc/34/08/89/346340889.db2.gz BNMZFLFIBLBRDU-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000300362963 346432205 /nfs/dbraw/zinc/43/22/05/346432205.db2.gz ROZWIIOHVIXSBP-TUAOUCFPSA-N 1 3 212.337 1.273 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157906605 346417333 /nfs/dbraw/zinc/41/73/33/346417333.db2.gz PTIUQMLIXIWWRY-NDBYEHHHSA-N 1 3 224.348 1.116 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157906605 346417336 /nfs/dbraw/zinc/41/73/36/346417336.db2.gz PTIUQMLIXIWWRY-NDBYEHHHSA-N 1 3 224.348 1.116 20 0 BDADHO CC[C@H]1CN(CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641797615 362744835 /nfs/dbraw/zinc/74/48/35/362744835.db2.gz DLHCSSIWFIUFHZ-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO CN(C)CCOC1CC[NH+](CC2(C)CC2)CC1 ZINC000580612118 365814708 /nfs/dbraw/zinc/81/47/08/365814708.db2.gz IKUPACSSRIOQSZ-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000641803943 362761845 /nfs/dbraw/zinc/76/18/45/362761845.db2.gz WEZJPDOKIJIBME-VXGBXAGGSA-N 1 3 236.363 1.297 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCO[C@H]1CC1(F)F ZINC000641800726 362753250 /nfs/dbraw/zinc/75/32/50/362753250.db2.gz DRYMJTKGJHAKMM-HLTSFMKQSA-N 1 3 234.290 1.126 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000641800726 362753256 /nfs/dbraw/zinc/75/32/56/362753256.db2.gz DRYMJTKGJHAKMM-HLTSFMKQSA-N 1 3 234.290 1.126 20 0 BDADHO Cn1cncc1CCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000641801259 362754859 /nfs/dbraw/zinc/75/48/59/362754859.db2.gz OPFXZRZORBWOAM-VXGBXAGGSA-N 1 3 236.363 1.068 20 0 BDADHO Cn1cncc1CCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801259 362754861 /nfs/dbraw/zinc/75/48/61/362754861.db2.gz OPFXZRZORBWOAM-VXGBXAGGSA-N 1 3 236.363 1.068 20 0 BDADHO Cc1noc(C)c1CN1CCC(CC[NH3+])CC1 ZINC000070183610 349967406 /nfs/dbraw/zinc/96/74/06/349967406.db2.gz LHISJIXHBALZHD-UHFFFAOYSA-N 1 3 237.347 1.852 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C)COC)C1 ZINC000187387680 346572847 /nfs/dbraw/zinc/57/28/47/346572847.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 1 3 242.407 1.933 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)COC)C1 ZINC000187387680 346572852 /nfs/dbraw/zinc/57/28/52/346572852.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187387680 346572856 /nfs/dbraw/zinc/57/28/56/346572856.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187387680 346572859 /nfs/dbraw/zinc/57/28/59/346572859.db2.gz OZZAPYVEVAEXSY-ZIAGYGMSSA-N 1 3 242.407 1.933 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000562979790 346668090 /nfs/dbraw/zinc/66/80/90/346668090.db2.gz PKHVRYQIGYWXHS-VIFPVBQESA-N 1 3 233.315 1.084 20 0 BDADHO CSC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000300897337 346635536 /nfs/dbraw/zinc/63/55/36/346635536.db2.gz VJYCRJZKXBSDRH-LBPRGKRZSA-N 1 3 228.405 1.813 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121012 346682998 /nfs/dbraw/zinc/68/29/98/346682998.db2.gz LNQHZYYARYMFQB-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121012 346683000 /nfs/dbraw/zinc/68/30/00/346683000.db2.gz LNQHZYYARYMFQB-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000577177291 365859273 /nfs/dbraw/zinc/85/92/73/365859273.db2.gz PQEVSQOKNOJRJP-VIFPVBQESA-N 1 3 233.315 1.356 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191572 365870889 /nfs/dbraw/zinc/87/08/89/365870889.db2.gz PHRLLIJWKXSROF-GXTWGEPZSA-N 1 3 233.359 1.874 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCCc2ccccn2)C1 ZINC000577191572 365870894 /nfs/dbraw/zinc/87/08/94/365870894.db2.gz PHRLLIJWKXSROF-GXTWGEPZSA-N 1 3 233.359 1.874 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000580329007 347168700 /nfs/dbraw/zinc/16/87/00/347168700.db2.gz SZGQEAQKYMYNAI-NEPJUHHUSA-N 1 3 226.364 1.520 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(CC[C@@H]1CCOC1)C2 ZINC000622004327 370655923 /nfs/dbraw/zinc/65/59/23/370655923.db2.gz NKUHWALLMLFBER-UPJWGTAASA-N 1 3 224.348 1.226 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000309634801 347126088 /nfs/dbraw/zinc/12/60/88/347126088.db2.gz JCHVLJCTPACPKI-LBPRGKRZSA-N 1 3 226.364 1.344 20 0 BDADHO [NH3+][C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000250655245 362815897 /nfs/dbraw/zinc/81/58/97/362815897.db2.gz UYCYGECWSULEDD-HUUCEWRRSA-N 1 3 245.370 1.294 20 0 BDADHO Cc1cccc(CN[C@@H](C)CCCC[NH3+])n1 ZINC000380811384 347335803 /nfs/dbraw/zinc/33/58/03/347335803.db2.gz KAGXIAAVEMDDAO-NSHDSACASA-N 1 3 221.348 1.997 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000577214579 365884157 /nfs/dbraw/zinc/88/41/57/365884157.db2.gz MWKWSTSLWVTUFI-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)CC[C@@H]1[NH3+] ZINC000149786337 347517443 /nfs/dbraw/zinc/51/74/43/347517443.db2.gz TZBXVQJDUAHLEG-RNJOBUHISA-N 1 3 226.364 1.613 20 0 BDADHO C[C@H]1CC[C@H](CN(C)CC(C)(C)C[NH3+])O1 ZINC000149780810 347518294 /nfs/dbraw/zinc/51/82/94/347518294.db2.gz RDGPMMVRCIHPAD-WDEREUQCSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCCCF ZINC000308458242 347669600 /nfs/dbraw/zinc/66/96/00/347669600.db2.gz FMBDFVUGSULKIB-GHMZBOCLSA-N 1 3 202.317 1.938 20 0 BDADHO CSCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000591567865 347671138 /nfs/dbraw/zinc/67/11/38/347671138.db2.gz YHYMARVCFSCTQW-ZJUUUORDSA-N 1 3 202.367 1.599 20 0 BDADHO COC(=O)C1CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000592438861 347778918 /nfs/dbraw/zinc/77/89/18/347778918.db2.gz QTDMUQFLIOOAAG-QKEWWQLBSA-N 1 3 242.363 1.434 20 0 BDADHO COC(=O)C1CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000592438860 347779271 /nfs/dbraw/zinc/77/92/71/347779271.db2.gz QTDMUQFLIOOAAG-JYBOHDQNSA-N 1 3 242.363 1.434 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOCC1CCC1 ZINC000577382534 365929487 /nfs/dbraw/zinc/92/94/87/365929487.db2.gz WRCIXKOWMOJINE-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H](CSCCF)[NH2+]CC1=CCN(C)CC1 ZINC000595025623 348172798 /nfs/dbraw/zinc/17/27/98/348172798.db2.gz HUYSEARBPUAEPU-NSHDSACASA-N 1 3 246.395 1.929 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000397400544 362884853 /nfs/dbraw/zinc/88/48/53/362884853.db2.gz QVFVXOTWPKCYRB-MDZLAQPJSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCc2cn[nH]c2)C[C@@H]1CN ZINC000397400544 362884855 /nfs/dbraw/zinc/88/48/55/362884855.db2.gz QVFVXOTWPKCYRB-MDZLAQPJSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCc2cn[nH]c2)C[C@@H]1CN ZINC000397400544 362884859 /nfs/dbraw/zinc/88/48/59/362884859.db2.gz QVFVXOTWPKCYRB-MDZLAQPJSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCCC[C@H]2CC[NH3+])O1 ZINC000251604753 362889507 /nfs/dbraw/zinc/88/95/07/362889507.db2.gz CUSAWALKDKAXSJ-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO CCC[N@H+](C)CC(C)(C)NCCCC(=O)OC ZINC000595873620 348387180 /nfs/dbraw/zinc/38/71/80/348387180.db2.gz NWMHWNDMXPZDJP-UHFFFAOYSA-N 1 3 244.379 1.650 20 0 BDADHO CCC[N@@H+](C)CC(C)(C)NCCCC(=O)OC ZINC000595873620 348387182 /nfs/dbraw/zinc/38/71/82/348387182.db2.gz NWMHWNDMXPZDJP-UHFFFAOYSA-N 1 3 244.379 1.650 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)CC(C)(C)C ZINC000308823832 348761491 /nfs/dbraw/zinc/76/14/91/348761491.db2.gz KIGDRJGSNPEVPS-LLVKDONJSA-N 1 3 216.369 1.277 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)CC(C)(C)C ZINC000308823832 348761492 /nfs/dbraw/zinc/76/14/92/348761492.db2.gz KIGDRJGSNPEVPS-LLVKDONJSA-N 1 3 216.369 1.277 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCOC1)CN1CCCC1 ZINC000070014404 490197471 /nfs/dbraw/zinc/19/74/71/490197471.db2.gz SBQDHMBBGMFBIR-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](CN[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014404 490197476 /nfs/dbraw/zinc/19/74/76/490197476.db2.gz SBQDHMBBGMFBIR-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CN[C@@H](C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000054074232 348889401 /nfs/dbraw/zinc/88/94/01/348889401.db2.gz LRULAIIEUBZSEP-JTQLQIEISA-N 1 3 235.331 1.295 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000250779834 349179774 /nfs/dbraw/zinc/17/97/74/349179774.db2.gz XJBOOIHAQVDJFM-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530218277 323217566 /nfs/dbraw/zinc/21/75/66/323217566.db2.gz VUUZNUJTXJUGLP-WCFLWFBJSA-N 1 3 224.348 1.295 20 0 BDADHO CC[C@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623530726 362948612 /nfs/dbraw/zinc/94/86/12/362948612.db2.gz KQBFZPSNKGAIAY-QWRGUYRKSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623530726 362948617 /nfs/dbraw/zinc/94/86/17/362948617.db2.gz KQBFZPSNKGAIAY-QWRGUYRKSA-N 1 3 214.353 1.220 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CCNCC1 ZINC000328460289 323251907 /nfs/dbraw/zinc/25/19/07/323251907.db2.gz GYGFEHSPBDWGQJ-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO CN(C[C@@H]1CCCC[C@@H]1O)C1CC[NH2+]CC1 ZINC000328460289 323251912 /nfs/dbraw/zinc/25/19/12/323251912.db2.gz GYGFEHSPBDWGQJ-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO CCN(CC)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236837154 191061306 /nfs/dbraw/zinc/06/13/06/191061306.db2.gz QOWUENCCJCJPOU-GFCCVEGCSA-N 1 3 243.395 1.160 20 0 BDADHO COCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086403747 490414297 /nfs/dbraw/zinc/41/42/97/490414297.db2.gz NGGREKFTHFPBCG-WDEREUQCSA-N 1 3 200.326 1.273 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365843314 180242579 /nfs/dbraw/zinc/24/25/79/180242579.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 1 3 248.374 1.075 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000365843314 180242581 /nfs/dbraw/zinc/24/25/81/180242581.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 1 3 248.374 1.075 20 0 BDADHO Cc1nccn1CCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365843314 180242582 /nfs/dbraw/zinc/24/25/82/180242582.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 1 3 248.374 1.075 20 0 BDADHO Cc1nccn1CCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365843314 180242584 /nfs/dbraw/zinc/24/25/84/180242584.db2.gz DZCUYFNMBMGAIG-OKILXGFUSA-N 1 3 248.374 1.075 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357089945 180242639 /nfs/dbraw/zinc/24/26/39/180242639.db2.gz QDYRXJSOPPUTPU-ZIAGYGMSSA-N 1 3 248.374 1.123 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000295055193 180273468 /nfs/dbraw/zinc/27/34/68/180273468.db2.gz QQNUBYINOFNIJO-WCQYABFASA-N 1 3 248.374 1.400 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000295055193 180273469 /nfs/dbraw/zinc/27/34/69/180273469.db2.gz QQNUBYINOFNIJO-WCQYABFASA-N 1 3 248.374 1.400 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227192142 350487390 /nfs/dbraw/zinc/48/73/90/350487390.db2.gz CGMRGDHGNPGZHT-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227192142 350487395 /nfs/dbraw/zinc/48/73/95/350487395.db2.gz CGMRGDHGNPGZHT-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)Cc1ccccc1 ZINC000422743875 192469612 /nfs/dbraw/zinc/46/96/12/192469612.db2.gz SBJKNGHRDXAMTI-SCRDCRAPSA-N 1 3 236.359 1.305 20 0 BDADHO CCCC[C@H](COC)NCCC[NH+](C)C ZINC000151938813 191113820 /nfs/dbraw/zinc/11/38/20/191113820.db2.gz JVGFRADSKJHGTJ-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO CC[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000563270978 350747017 /nfs/dbraw/zinc/74/70/17/350747017.db2.gz ICHKUDKEISINAV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000563270978 350747019 /nfs/dbraw/zinc/74/70/19/350747019.db2.gz ICHKUDKEISINAV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000563270978 350747021 /nfs/dbraw/zinc/74/70/21/350747021.db2.gz ICHKUDKEISINAV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@H]([NH3+])[C@@H](C)C2)O1 ZINC000251898936 362981356 /nfs/dbraw/zinc/98/13/56/362981356.db2.gz SJLGAHGNYGNTEG-QCNOEVLYSA-N 1 3 212.337 1.223 20 0 BDADHO CC[NH+](CC)C[C@H](C)NC(=O)CN(C)C(C)C ZINC000343503427 350973226 /nfs/dbraw/zinc/97/32/26/350973226.db2.gz FQFDIAVGBBKLAP-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO C[C@H](O)C1(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351370 351313538 /nfs/dbraw/zinc/31/35/38/351313538.db2.gz CSYNVZDVLOOOEC-QWRGUYRKSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](O)C1(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351370 351313540 /nfs/dbraw/zinc/31/35/40/351313540.db2.gz CSYNVZDVLOOOEC-QWRGUYRKSA-N 1 3 226.364 1.362 20 0 BDADHO C([NH2+]C1CCNCC1)[C@H]1CCCCS1 ZINC000087683983 351347089 /nfs/dbraw/zinc/34/70/89/351347089.db2.gz MZDOBHDHHMJOMA-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO C(NC1CC[NH2+]CC1)[C@H]1CCCCS1 ZINC000087683983 351347091 /nfs/dbraw/zinc/34/70/91/351347091.db2.gz MZDOBHDHHMJOMA-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637816456 351656142 /nfs/dbraw/zinc/65/61/42/351656142.db2.gz LWPBXQYHLYOOMB-VXGBXAGGSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)N(C)C ZINC000637852664 351712661 /nfs/dbraw/zinc/71/26/61/351712661.db2.gz WSGATYSACRHUFF-AAEUAGOBSA-N 1 3 243.395 1.206 20 0 BDADHO CCN[C@@H](C)C(=O)NCCCC[NH+](CC)CC ZINC000638066644 351938593 /nfs/dbraw/zinc/93/85/93/351938593.db2.gz JMOCEFNXICSOGN-LBPRGKRZSA-N 1 3 243.395 1.223 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000638077939 351951362 /nfs/dbraw/zinc/95/13/62/351951362.db2.gz YORPZGQNJUCWHN-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000638084416 351960702 /nfs/dbraw/zinc/96/07/02/351960702.db2.gz LJBXYHPAWVMSAG-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638262547 352105237 /nfs/dbraw/zinc/10/52/37/352105237.db2.gz OEKJHSUUXRNWBR-NSHDSACASA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000638333160 352151670 /nfs/dbraw/zinc/15/16/70/352151670.db2.gz OTMRPIFNXJIMGD-WDEREUQCSA-N 1 3 243.395 1.240 20 0 BDADHO CC[C@@H](C)CNC[C@]1(COC)CCC[NH2+]1 ZINC000414952026 352371847 /nfs/dbraw/zinc/37/18/47/352371847.db2.gz HSGZPBXBPTTZTN-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638642239 352485569 /nfs/dbraw/zinc/48/55/69/352485569.db2.gz VYZWXFQHYXYENY-UTUOFQBUSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CC1(F)F ZINC000638681580 352519163 /nfs/dbraw/zinc/51/91/63/352519163.db2.gz KSCAPXRJJSZAMC-UWVGGRQHSA-N 1 3 248.317 1.076 20 0 BDADHO CC(C)C1(C[NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000638682144 352520534 /nfs/dbraw/zinc/52/05/34/352520534.db2.gz RKRKUAGQVREWCB-UHFFFAOYSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000343034563 352941895 /nfs/dbraw/zinc/94/18/95/352941895.db2.gz NTKPLJQOETZULN-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000304585939 168696404 /nfs/dbraw/zinc/69/64/04/168696404.db2.gz OVXHUNQVBDBGNR-ZDUSSCGKSA-N 1 3 225.380 1.156 20 0 BDADHO C([C@H]1CC[N@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC000336722205 188012848 /nfs/dbraw/zinc/01/28/48/188012848.db2.gz ZTTVDCFPLLNWOU-KGLIPLIRSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC000336722205 188012850 /nfs/dbraw/zinc/01/28/50/188012850.db2.gz ZTTVDCFPLLNWOU-KGLIPLIRSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@@H]1CCOC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336722205 188012852 /nfs/dbraw/zinc/01/28/52/188012852.db2.gz ZTTVDCFPLLNWOU-KGLIPLIRSA-N 1 3 238.375 1.441 20 0 BDADHO CC(C)CCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336691431 538117537 /nfs/dbraw/zinc/11/75/37/538117537.db2.gz HATVOYAKXASVDI-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000119996508 353690829 /nfs/dbraw/zinc/69/08/29/353690829.db2.gz JUSIIVSPKBVNDH-ZDUSSCGKSA-N 1 3 226.364 1.297 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000119996508 353690832 /nfs/dbraw/zinc/69/08/32/353690832.db2.gz JUSIIVSPKBVNDH-ZDUSSCGKSA-N 1 3 226.364 1.297 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCC[C@@H]3CCO3)C[C@H]2C1 ZINC000639113708 353707761 /nfs/dbraw/zinc/70/77/61/353707761.db2.gz SHRIOLSZTHUPQZ-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCC[C@@H]3CCO3)C[C@H]2C1 ZINC000639113708 353707763 /nfs/dbraw/zinc/70/77/63/353707763.db2.gz SHRIOLSZTHUPQZ-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO CC[C@@](C)(CN(C)CCC[NH+](C)C)OC ZINC000639167696 354038707 /nfs/dbraw/zinc/03/87/07/354038707.db2.gz JPVZIHWOBDWIBR-LBPRGKRZSA-N 1 3 216.369 1.685 20 0 BDADHO C[C@@H]1C[C@@H](CO)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000344137929 354151818 /nfs/dbraw/zinc/15/18/18/354151818.db2.gz KADOROJGTGXWLV-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1C[C@@H](CO)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000344137929 354151822 /nfs/dbraw/zinc/15/18/22/354151822.db2.gz KADOROJGTGXWLV-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449687115 202001979 /nfs/dbraw/zinc/00/19/79/202001979.db2.gz OBKINJXCALUZBK-QJPTWQEYSA-N 1 3 241.379 1.008 20 0 BDADHO COC(=O)CCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383608620 354380718 /nfs/dbraw/zinc/38/07/18/354380718.db2.gz SAWIDZSKDQUSFW-AAEUAGOBSA-N 1 3 240.347 1.000 20 0 BDADHO COC(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000383608620 354380720 /nfs/dbraw/zinc/38/07/20/354380720.db2.gz SAWIDZSKDQUSFW-AAEUAGOBSA-N 1 3 240.347 1.000 20 0 BDADHO COC(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000383608620 354380722 /nfs/dbraw/zinc/38/07/22/354380722.db2.gz SAWIDZSKDQUSFW-AAEUAGOBSA-N 1 3 240.347 1.000 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000344772164 354359703 /nfs/dbraw/zinc/35/97/03/354359703.db2.gz MMWWIBIADFUOHD-KBPBESRZSA-N 1 3 241.423 1.648 20 0 BDADHO CC(C)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617504406 354601211 /nfs/dbraw/zinc/60/12/11/354601211.db2.gz UOMCUXZXBHVKEZ-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CC(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617504406 354601214 /nfs/dbraw/zinc/60/12/14/354601214.db2.gz UOMCUXZXBHVKEZ-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CCCCOCCN1CC[C@](C)(C[NH3+])C1 ZINC000232987628 363390919 /nfs/dbraw/zinc/39/09/19/363390919.db2.gz VAAFPPUHHRWUOK-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000234705924 363427807 /nfs/dbraw/zinc/42/78/07/363427807.db2.gz GZKRPEKVACQBNZ-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO COCCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000234705924 363427813 /nfs/dbraw/zinc/42/78/13/363427813.db2.gz GZKRPEKVACQBNZ-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209517 324526035 /nfs/dbraw/zinc/52/60/35/324526035.db2.gz IKLMGCJMQRDXLA-AVGNSLFASA-N 1 3 226.364 1.520 20 0 BDADHO CC/C=C\CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639227344 355068703 /nfs/dbraw/zinc/06/87/03/355068703.db2.gz LKDCYULFKKNSQS-WAYWQWQTSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H](CC(N)=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000346865940 355133506 /nfs/dbraw/zinc/13/35/06/355133506.db2.gz OVOJKJKKFZRTPS-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CC(N)=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000346865940 355133507 /nfs/dbraw/zinc/13/35/07/355133507.db2.gz OVOJKJKKFZRTPS-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO COCCCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000113511985 355248109 /nfs/dbraw/zinc/24/81/09/355248109.db2.gz UREUXIHCVBVCHJ-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO COCCCCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000412970948 191345603 /nfs/dbraw/zinc/34/56/03/191345603.db2.gz IXNZVBNDSNTULI-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO COCCCCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000412970948 191345605 /nfs/dbraw/zinc/34/56/05/191345605.db2.gz IXNZVBNDSNTULI-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000639245359 355266759 /nfs/dbraw/zinc/26/67/59/355266759.db2.gz WTHXWBHLALNPRC-QWHCGFSZSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000639245359 355266760 /nfs/dbraw/zinc/26/67/60/355266760.db2.gz WTHXWBHLALNPRC-QWHCGFSZSA-N 1 3 248.374 1.400 20 0 BDADHO CCN1C[C@H](NCCC[NH+](CC)CC)[C@@H](C)C1 ZINC000347664105 355255086 /nfs/dbraw/zinc/25/50/86/355255086.db2.gz OUUBWNIOEFUOPT-KBPBESRZSA-N 1 3 241.423 1.648 20 0 BDADHO CC[C@H](COC)NCC[C@H]1CCC[NH2+]1 ZINC000414906866 191621929 /nfs/dbraw/zinc/62/19/29/191621929.db2.gz PREKKILMPSIYLJ-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](N[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000389142723 355730274 /nfs/dbraw/zinc/73/02/74/355730274.db2.gz YQSFNXBNEBBDNR-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO COc1cccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000216035430 355798911 /nfs/dbraw/zinc/79/89/11/355798911.db2.gz SQDDZDPJYZROHE-WCQYABFASA-N 1 3 234.343 1.864 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCN(C)c2ccccc2)C1 ZINC000351863478 356100194 /nfs/dbraw/zinc/10/01/94/356100194.db2.gz UBWTYRIOBSURGO-UONOGXRCSA-N 1 3 247.386 1.792 20 0 BDADHO Cc1cnn(CC[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000335917787 356163543 /nfs/dbraw/zinc/16/35/43/356163543.db2.gz MEPPXCCAGLEIRU-AWEZNQCLSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1cnn(CC[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000335917787 356163548 /nfs/dbraw/zinc/16/35/48/356163548.db2.gz MEPPXCCAGLEIRU-AWEZNQCLSA-N 1 3 248.374 1.219 20 0 BDADHO NC1(C(=O)NCC2([NH3+])CCCCC2)CCCC1 ZINC000336092020 134078867 /nfs/dbraw/zinc/07/88/67/134078867.db2.gz DIJGIUATHREJMS-UHFFFAOYSA-N 1 3 239.363 1.036 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000420272915 192197611 /nfs/dbraw/zinc/19/76/11/192197611.db2.gz MSSWYIPCAAEYPV-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000420272915 192197613 /nfs/dbraw/zinc/19/76/13/192197613.db2.gz MSSWYIPCAAEYPV-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)OC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000420288587 192201193 /nfs/dbraw/zinc/20/11/93/192201193.db2.gz JINFUQCIUYNNCE-LBPRGKRZSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420306998 192209274 /nfs/dbraw/zinc/20/92/74/192209274.db2.gz LOQWOKNKEHXERE-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CC[N@H+](CCCN)CC1CCCC1 ZINC000420308740 192210981 /nfs/dbraw/zinc/21/09/81/192210981.db2.gz DCEDBGJRVCZQJM-UHFFFAOYSA-N 1 3 242.363 1.391 20 0 BDADHO COC(=O)CC[N@@H+](CCCN)CC1CCCC1 ZINC000420308740 192210983 /nfs/dbraw/zinc/21/09/83/192210983.db2.gz DCEDBGJRVCZQJM-UHFFFAOYSA-N 1 3 242.363 1.391 20 0 BDADHO COC(=O)CCN(CCC[NH3+])CC1CCCC1 ZINC000420308740 192210986 /nfs/dbraw/zinc/21/09/86/192210986.db2.gz DCEDBGJRVCZQJM-UHFFFAOYSA-N 1 3 242.363 1.391 20 0 BDADHO C(CN1CCOC[C@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420370266 192227667 /nfs/dbraw/zinc/22/76/67/192227667.db2.gz YVVOSYSSFMQHAY-AAEUAGOBSA-N 1 3 224.348 1.097 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCCc1ccncc1 ZINC000420357290 192219413 /nfs/dbraw/zinc/21/94/13/192219413.db2.gz HCPNFXJHEXKLPG-AWEZNQCLSA-N 1 3 247.386 1.992 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCCc1ccncc1 ZINC000420357290 192219415 /nfs/dbraw/zinc/21/94/15/192219415.db2.gz HCPNFXJHEXKLPG-AWEZNQCLSA-N 1 3 247.386 1.992 20 0 BDADHO CCC[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420355725 192220355 /nfs/dbraw/zinc/22/03/55/192220355.db2.gz FQQUDZPKYAMPKE-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000420383709 192234524 /nfs/dbraw/zinc/23/45/24/192234524.db2.gz ZWBWSHZWZBUKBO-SGMGOOAPSA-N 1 3 237.391 1.282 20 0 BDADHO COCCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407805 192239124 /nfs/dbraw/zinc/23/91/24/192239124.db2.gz VMBOFTCCXKINIX-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO FCCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420409948 192239923 /nfs/dbraw/zinc/23/99/23/192239923.db2.gz XRTGPZVEICGTFY-NWDGAFQWSA-N 1 3 214.328 1.810 20 0 BDADHO [NH3+]CCCN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420416814 192240306 /nfs/dbraw/zinc/24/03/06/192240306.db2.gz VXOFAYZGIGQBRG-ZIAGYGMSSA-N 1 3 234.343 1.703 20 0 BDADHO C[C@@H]1CCN(CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000420421841 192242030 /nfs/dbraw/zinc/24/20/30/192242030.db2.gz YVMMEHNWAAZXJB-UKRRQHHQSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@@H]1CC[N@H+](CCCc2ccncc2)C[C@H]1CN ZINC000420421841 192242033 /nfs/dbraw/zinc/24/20/33/192242033.db2.gz YVMMEHNWAAZXJB-UKRRQHHQSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@@H]1CC[N@@H+](CCCc2ccncc2)C[C@H]1CN ZINC000420421841 192242035 /nfs/dbraw/zinc/24/20/35/192242035.db2.gz YVMMEHNWAAZXJB-UKRRQHHQSA-N 1 3 247.386 1.931 20 0 BDADHO CC(C)OCCCN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420380666 192233338 /nfs/dbraw/zinc/23/33/38/192233338.db2.gz YNECDMJKUGVTSC-RWMBFGLXSA-N 1 3 228.380 1.778 20 0 BDADHO c1c[nH]c([C@@H]2CCCN2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420378405 192233830 /nfs/dbraw/zinc/23/38/30/192233830.db2.gz UBWANCZCPXKLTB-STQMWFEESA-N 1 3 248.374 1.936 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1C ZINC000389634210 356496829 /nfs/dbraw/zinc/49/68/29/356496829.db2.gz NKNUBGPDGPYPOZ-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1C ZINC000389634210 356496832 /nfs/dbraw/zinc/49/68/32/356496832.db2.gz NKNUBGPDGPYPOZ-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CN(CCC[NH+]1CCCC1)C[C@H]1C[C@@H](O)C1 ZINC000420967940 192285209 /nfs/dbraw/zinc/28/52/09/192285209.db2.gz UZIKUASOSOPVEM-BETUJISGSA-N 1 3 226.364 1.175 20 0 BDADHO [NH3+]CCCN1CCC(C2CCOCC2)CC1 ZINC000578119869 366277854 /nfs/dbraw/zinc/27/78/54/366277854.db2.gz JETYVGCFURGDES-UHFFFAOYSA-N 1 3 226.364 1.474 20 0 BDADHO CC[C@H](NC[C@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998012 192522155 /nfs/dbraw/zinc/52/21/55/192522155.db2.gz VYIDRRVIRZWOHF-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)[C@@H]1CCCN1 ZINC000422998012 192522158 /nfs/dbraw/zinc/52/21/58/192522158.db2.gz VYIDRRVIRZWOHF-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](COCC(F)(F)F)N[C@H](C)C[C@H](C)[NH3+] ZINC000422949172 192523913 /nfs/dbraw/zinc/52/39/13/192523913.db2.gz UHDZPAXZOYOTBY-DJLDLDEBSA-N 1 3 242.285 1.669 20 0 BDADHO CC(C)OCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423041132 192549618 /nfs/dbraw/zinc/54/96/18/192549618.db2.gz WDZZBMRSYUMCPZ-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CN ZINC000423101411 192569453 /nfs/dbraw/zinc/56/94/53/192569453.db2.gz CWINPDHIWIHZCO-LPWJVIDDSA-N 1 3 226.364 1.376 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1CC(F)(F)C1 ZINC000423131538 192579393 /nfs/dbraw/zinc/57/93/93/192579393.db2.gz OCFUBGUKKXZKIS-JGVFFNPUSA-N 1 3 206.280 1.747 20 0 BDADHO CN1CCC([NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623342057 356742897 /nfs/dbraw/zinc/74/28/97/356742897.db2.gz DGFZZEYNDZXNIW-CYBMUJFWSA-N 1 3 239.407 1.543 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000450462517 202171341 /nfs/dbraw/zinc/17/13/41/202171341.db2.gz HAVIEJWDPDRLDE-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000450462517 202171345 /nfs/dbraw/zinc/17/13/45/202171345.db2.gz HAVIEJWDPDRLDE-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC(C)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363220885 356953640 /nfs/dbraw/zinc/95/36/40/356953640.db2.gz JFPPAGFLTIHNEZ-AWEZNQCLSA-N 1 3 239.407 1.354 20 0 BDADHO CC(C)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363220885 356953643 /nfs/dbraw/zinc/95/36/43/356953643.db2.gz JFPPAGFLTIHNEZ-AWEZNQCLSA-N 1 3 239.407 1.354 20 0 BDADHO [NH3+]C[C@@H]1CCCN1C1CCSCC1 ZINC000168804609 357240551 /nfs/dbraw/zinc/24/05/51/357240551.db2.gz WYARSQZDHUENEU-JTQLQIEISA-N 1 3 200.351 1.305 20 0 BDADHO C[C@@H]1CN(C2CCSCC2)C[C@H]1[NH3+] ZINC000300048678 357176012 /nfs/dbraw/zinc/17/60/12/357176012.db2.gz LQBKOHAIGIWYFC-PSASIEDQSA-N 1 3 200.351 1.161 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000393690309 357293556 /nfs/dbraw/zinc/29/35/56/357293556.db2.gz DZZCQHHAOHEQOC-SRVKXCTJSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1CN ZINC000393358738 357307566 /nfs/dbraw/zinc/30/75/66/357307566.db2.gz RNTPFJANOVWFOQ-XJFOESAGSA-N 1 3 240.391 1.454 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@H]1CN ZINC000393358738 357307572 /nfs/dbraw/zinc/30/75/72/357307572.db2.gz RNTPFJANOVWFOQ-XJFOESAGSA-N 1 3 240.391 1.454 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCC[C@@H]1O ZINC000393244028 357279615 /nfs/dbraw/zinc/27/96/15/357279615.db2.gz NJBCPXSWQWYFON-LPWJVIDDSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000393244028 357279618 /nfs/dbraw/zinc/27/96/18/357279618.db2.gz NJBCPXSWQWYFON-LPWJVIDDSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000393244028 357279620 /nfs/dbraw/zinc/27/96/20/357279620.db2.gz NJBCPXSWQWYFON-LPWJVIDDSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2cnn(C)c2c1 ZINC000582481402 357316974 /nfs/dbraw/zinc/31/69/74/357316974.db2.gz AOBCXKCXBRJZPX-GHMZBOCLSA-N 1 3 246.358 1.789 20 0 BDADHO CNCc1ccccc1NC(=O)CCCC[NH3+] ZINC000582665986 357358756 /nfs/dbraw/zinc/35/87/56/357358756.db2.gz FPTKKZZQVBRYMY-UHFFFAOYSA-N 1 3 235.331 1.474 20 0 BDADHO Cc1cnn(C)c1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000394864858 357384614 /nfs/dbraw/zinc/38/46/14/357384614.db2.gz SVESRHZMWHVXPQ-GFCCVEGCSA-N 1 3 236.363 1.160 20 0 BDADHO COC[C@H](C)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397313909 357511957 /nfs/dbraw/zinc/51/19/57/357511957.db2.gz PXOQJIWPRWXAPD-LPWJVIDDSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C)C[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397313909 357511960 /nfs/dbraw/zinc/51/19/60/357511960.db2.gz PXOQJIWPRWXAPD-LPWJVIDDSA-N 1 3 228.380 1.574 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710431 357572557 /nfs/dbraw/zinc/57/25/57/357572557.db2.gz XYVVRGHMYHXDJC-VXGBXAGGSA-N 1 3 243.395 1.160 20 0 BDADHO CCC[C@@](C)(N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710855 357572767 /nfs/dbraw/zinc/57/27/67/357572767.db2.gz ACWGOHRNKGFZTI-CYBMUJFWSA-N 1 3 243.395 1.304 20 0 BDADHO COC1CC(NC2CC[NH+](CC(C)C)CC2)C1 ZINC000230676271 357549316 /nfs/dbraw/zinc/54/93/16/357549316.db2.gz VOGTVSAMTJPBLB-UHFFFAOYSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000132240686 325207199 /nfs/dbraw/zinc/20/71/99/325207199.db2.gz SIBOQSJCAAIVDL-AAEUAGOBSA-N 1 3 225.380 1.010 20 0 BDADHO Cc1ccoc1CNCCOCC[NH+](C)C ZINC000231676687 357619807 /nfs/dbraw/zinc/61/98/07/357619807.db2.gz NCCUOGJGJBGROM-UHFFFAOYSA-N 1 3 226.320 1.256 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1ccc(F)cc1 ZINC000234794292 357828639 /nfs/dbraw/zinc/82/86/39/357828639.db2.gz PLWUPPMRAYXNSZ-ZDUSSCGKSA-N 1 3 240.322 1.669 20 0 BDADHO CC[C@H](O)CNCC[C@@H](C)[NH+]1CCCCC1 ZINC000583318110 357901452 /nfs/dbraw/zinc/90/14/52/357901452.db2.gz QXKCHCXGGLVLGB-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO CC[C@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000583318110 357901455 /nfs/dbraw/zinc/90/14/55/357901455.db2.gz QXKCHCXGGLVLGB-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000640141120 358232349 /nfs/dbraw/zinc/23/23/49/358232349.db2.gz YHYLBFCTECAFOD-UONOGXRCSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]2CCC[N@H+]2C)CCN1C ZINC000640141120 358232350 /nfs/dbraw/zinc/23/23/50/358232350.db2.gz YHYLBFCTECAFOD-UONOGXRCSA-N 1 3 239.407 1.353 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H](C)CO ZINC000450736803 202251490 /nfs/dbraw/zinc/25/14/90/202251490.db2.gz GXEIUIAWIHMJPE-NEPJUHHUSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)[C@H](C)CO ZINC000450736803 202251494 /nfs/dbraw/zinc/25/14/94/202251494.db2.gz GXEIUIAWIHMJPE-NEPJUHHUSA-N 1 3 216.369 1.325 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000226703696 358343650 /nfs/dbraw/zinc/34/36/50/358343650.db2.gz DKVITQHNNNYLDK-NEPJUHHUSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000226703696 358343651 /nfs/dbraw/zinc/34/36/51/358343651.db2.gz DKVITQHNNNYLDK-NEPJUHHUSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000226703696 358343652 /nfs/dbraw/zinc/34/36/52/358343652.db2.gz DKVITQHNNNYLDK-NEPJUHHUSA-N 1 3 214.353 1.341 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCCCO)C1 ZINC000229106728 358345381 /nfs/dbraw/zinc/34/53/81/358345381.db2.gz ROCOLGQTIBMMFJ-QWRGUYRKSA-N 1 3 200.326 1.009 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000229215136 358367592 /nfs/dbraw/zinc/36/75/92/358367592.db2.gz OSPSHAKQNUQOSJ-NWDGAFQWSA-N 1 3 228.405 1.989 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000230209552 358396212 /nfs/dbraw/zinc/39/62/12/358396212.db2.gz DLYYIGLMBAYDTF-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO CCC(CC)(CO)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000230209552 358396216 /nfs/dbraw/zinc/39/62/16/358396216.db2.gz DLYYIGLMBAYDTF-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(CC2CC2)CC1 ZINC000042491266 358525002 /nfs/dbraw/zinc/52/50/02/358525002.db2.gz ZOPFSQOGLNLNCR-CQSZACIVSA-N 1 3 239.407 1.387 20 0 BDADHO C1CC1N1CC[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614394 /nfs/dbraw/zinc/61/43/94/358614394.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 1 3 249.402 1.440 20 0 BDADHO C1CC1N1CC[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130212301 358614397 /nfs/dbraw/zinc/61/43/97/358614397.db2.gz VXWBCPPDCUIEKU-UMVBOHGHSA-N 1 3 249.402 1.440 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]CCCN1CCCC1 ZINC000049332678 358683396 /nfs/dbraw/zinc/68/33/96/358683396.db2.gz WBMTWFPSYDHRJC-CYBMUJFWSA-N 1 3 236.363 1.347 20 0 BDADHO C[C@H](Cn1cccn1)NCCC[NH+]1CCCC1 ZINC000049332678 358683399 /nfs/dbraw/zinc/68/33/99/358683399.db2.gz WBMTWFPSYDHRJC-CYBMUJFWSA-N 1 3 236.363 1.347 20 0 BDADHO CC(C)[C@H](N)CC[N@H+](C)CC1CCOCC1 ZINC000133296507 358749573 /nfs/dbraw/zinc/74/95/73/358749573.db2.gz VVQMBDPFTYDTTQ-CYBMUJFWSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)[C@H](N)CC[N@@H+](C)CC1CCOCC1 ZINC000133296507 358749576 /nfs/dbraw/zinc/74/95/76/358749576.db2.gz VVQMBDPFTYDTTQ-CYBMUJFWSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CC1CCOCC1 ZINC000133296507 358749580 /nfs/dbraw/zinc/74/95/80/358749580.db2.gz VVQMBDPFTYDTTQ-CYBMUJFWSA-N 1 3 228.380 1.718 20 0 BDADHO COc1cc(C)nc(CN2CCC(C[NH3+])CC2)c1 ZINC000214081830 358753437 /nfs/dbraw/zinc/75/34/37/358753437.db2.gz WHMMZSHKXMXWNK-UHFFFAOYSA-N 1 3 249.358 1.569 20 0 BDADHO COC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000133671486 358762410 /nfs/dbraw/zinc/76/24/10/358762410.db2.gz MDUIJXTUAGIJLC-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000133671486 358762413 /nfs/dbraw/zinc/76/24/13/358762413.db2.gz MDUIJXTUAGIJLC-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO COCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134903612 358810281 /nfs/dbraw/zinc/81/02/81/358810281.db2.gz JCXTUSMOVQFHGD-OCCSQVGLSA-N 1 3 238.375 1.582 20 0 BDADHO COCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134903612 358810283 /nfs/dbraw/zinc/81/02/83/358810283.db2.gz JCXTUSMOVQFHGD-OCCSQVGLSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cnccn1 ZINC000070479537 359057615 /nfs/dbraw/zinc/05/76/15/359057615.db2.gz VPGYIVFJRYIWBN-LLVKDONJSA-N 1 3 234.347 1.469 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CCOC1 ZINC000246813111 359167988 /nfs/dbraw/zinc/16/79/88/359167988.db2.gz AFNWDBFJZJVSSY-REWJHTLYSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000247314126 359211269 /nfs/dbraw/zinc/21/12/69/359211269.db2.gz RJNWOJLUENXGSN-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000247314126 359211272 /nfs/dbraw/zinc/21/12/72/359211272.db2.gz RJNWOJLUENXGSN-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1cc([C@H](C)N[C@H](C)CCCC[NH3+])nn1C ZINC000423437043 192769380 /nfs/dbraw/zinc/76/93/80/192769380.db2.gz QGQGDHAFSHCRDI-PWSUYJOCSA-N 1 3 238.379 1.897 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000087409479 359910930 /nfs/dbraw/zinc/91/09/30/359910930.db2.gz GCCQTHBAHCJZHL-GHMZBOCLSA-N 1 3 238.379 1.719 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000578549640 366594528 /nfs/dbraw/zinc/59/45/28/366594528.db2.gz UNPJMOQACMBHGW-NDBYEHHHSA-N 1 3 226.364 1.804 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150306 359993580 /nfs/dbraw/zinc/99/35/80/359993580.db2.gz WCEURTJMGPDKDK-OCCSQVGLSA-N 1 3 234.343 1.652 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000089144637 359992790 /nfs/dbraw/zinc/99/27/90/359992790.db2.gz IKKDIRBXLOCUNF-KGLIPLIRSA-N 1 3 233.359 1.731 20 0 BDADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000089147312 359992866 /nfs/dbraw/zinc/99/28/66/359992866.db2.gz DWTKUMFZKIOOQC-ZFWWWQNUSA-N 1 3 248.370 1.955 20 0 BDADHO CC(C)CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000089749408 360036806 /nfs/dbraw/zinc/03/68/06/360036806.db2.gz UNCGOKCDOYTMDH-AWEZNQCLSA-N 1 3 239.407 1.260 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150305 359994297 /nfs/dbraw/zinc/99/42/97/359994297.db2.gz WCEURTJMGPDKDK-TZMCWYRMSA-N 1 3 234.343 1.652 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000156258763 360959538 /nfs/dbraw/zinc/95/95/38/360959538.db2.gz YYFYXFAXAUQNSB-QJPTWQEYSA-N 1 3 213.369 1.009 20 0 BDADHO Cc1cc(CNCC2CC[NH+](C3CC3)CC2)on1 ZINC000631121171 360985123 /nfs/dbraw/zinc/98/51/23/360985123.db2.gz PXZOCGVLMYGEQA-UHFFFAOYSA-N 1 3 249.358 1.947 20 0 BDADHO C1CC2(C1)NCC[C@@H]2[NH2+]C1CCSCC1 ZINC000629385887 361033772 /nfs/dbraw/zinc/03/37/72/361033772.db2.gz BIVNVYDFMAFNFY-NSHDSACASA-N 1 3 226.389 1.756 20 0 BDADHO Cc1ccc(C[NH2+]CC2(N)CCOCC2)c(C)c1 ZINC000629389227 361035354 /nfs/dbraw/zinc/03/53/54/361035354.db2.gz ZWNAFBPDBBWTKH-UHFFFAOYSA-N 1 3 248.370 1.901 20 0 BDADHO [NH3+]CCCOCCNCc1ccc(Cl)cc1 ZINC000629397588 361047651 /nfs/dbraw/zinc/04/76/51/361047651.db2.gz AETSZQXTUHEEFK-UHFFFAOYSA-N 1 3 242.750 1.795 20 0 BDADHO Cc1cc(CNCCOCCC[NH3+])ccc1F ZINC000629399353 361049848 /nfs/dbraw/zinc/04/98/48/361049848.db2.gz QQXWTKDPYKDSRV-UHFFFAOYSA-N 1 3 240.322 1.589 20 0 BDADHO C[NH2+]CC1CCN(Cc2cccnc2N)CC1 ZINC000629511562 361106127 /nfs/dbraw/zinc/10/61/27/361106127.db2.gz OLXSEJGRZVXDGW-UHFFFAOYSA-N 1 3 234.347 1.095 20 0 BDADHO Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1N)CO2 ZINC000629515934 361109668 /nfs/dbraw/zinc/10/96/68/361109668.db2.gz YOPYWDQCAHZVHD-IACUBPJLSA-N 1 3 246.354 1.768 20 0 BDADHO CN(CCOC1CCOCC1)CC(C)(C)C[NH3+] ZINC000629515177 361112585 /nfs/dbraw/zinc/11/25/85/361112585.db2.gz ZYORSJCNXKKNAZ-UHFFFAOYSA-N 1 3 244.379 1.099 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CCCCO ZINC000629527088 361131715 /nfs/dbraw/zinc/13/17/15/361131715.db2.gz JUBZURNVDZFYLY-SDDRHHMPSA-N 1 3 214.353 1.268 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cncs1 ZINC000629528677 361137411 /nfs/dbraw/zinc/13/74/11/361137411.db2.gz GMRXIHPQMQFADV-SECBINFHSA-N 1 3 229.349 1.030 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cncc(C)c1 ZINC000629529823 361141544 /nfs/dbraw/zinc/14/15/44/361141544.db2.gz NQFFDPMXRFSQHH-GFCCVEGCSA-N 1 3 237.347 1.277 20 0 BDADHO CC(C)CC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629525346 361125479 /nfs/dbraw/zinc/12/54/79/361125479.db2.gz XWVQWTYROZSRRF-WJLOJVBCSA-N 1 3 240.391 1.656 20 0 BDADHO CCSCCN(C)CC(C)(C)C[NH3+] ZINC000158584196 361205327 /nfs/dbraw/zinc/20/53/27/361205327.db2.gz RFBRKHBRDRNICZ-UHFFFAOYSA-N 1 3 204.383 1.656 20 0 BDADHO CCSCC[N@H+](C)CC(C)(C)CN ZINC000158584196 361205332 /nfs/dbraw/zinc/20/53/32/361205332.db2.gz RFBRKHBRDRNICZ-UHFFFAOYSA-N 1 3 204.383 1.656 20 0 BDADHO CCSCC[N@@H+](C)CC(C)(C)CN ZINC000158584196 361205336 /nfs/dbraw/zinc/20/53/36/361205336.db2.gz RFBRKHBRDRNICZ-UHFFFAOYSA-N 1 3 204.383 1.656 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(CC)CC ZINC000578993291 366689434 /nfs/dbraw/zinc/68/94/34/366689434.db2.gz SJRCCECWIUGCET-GRYCIOLGSA-N 1 3 243.395 1.349 20 0 BDADHO C[C@H](N)CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000622045751 370679427 /nfs/dbraw/zinc/67/94/27/370679427.db2.gz UUOKLSHZIDBNCE-LBPRGKRZSA-N 1 3 248.374 1.377 20 0 BDADHO C[C@H]([NH3+])CCNC1CCN(c2ccccn2)CC1 ZINC000622045751 370679432 /nfs/dbraw/zinc/67/94/32/370679432.db2.gz UUOKLSHZIDBNCE-LBPRGKRZSA-N 1 3 248.374 1.377 20 0 BDADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]C)N(CC)CC ZINC000429220709 201080117 /nfs/dbraw/zinc/08/01/17/201080117.db2.gz HLMXVKYWFXYIDV-NWDGAFQWSA-N 1 3 243.395 1.079 20 0 BDADHO CCC[C@@H](C)CCC[N@H+](C)C[C@@H](O)CN ZINC000629539179 361405117 /nfs/dbraw/zinc/40/51/17/361405117.db2.gz VPESFBSPBNNEGB-NEPJUHHUSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@@H](C)CCC[N@@H+](C)C[C@@H](O)CN ZINC000629539179 361405124 /nfs/dbraw/zinc/40/51/24/361405124.db2.gz VPESFBSPBNNEGB-NEPJUHHUSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@@H](C)CCCN(C)C[C@@H](O)C[NH3+] ZINC000629539179 361405131 /nfs/dbraw/zinc/40/51/31/361405131.db2.gz VPESFBSPBNNEGB-NEPJUHHUSA-N 1 3 216.369 1.454 20 0 BDADHO C/C=C\CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629537069 361399456 /nfs/dbraw/zinc/39/94/56/361399456.db2.gz JOWDTNRQAFLIMI-JSUMNLKUSA-N 1 3 224.348 1.309 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1cccc(O)c1 ZINC000629537997 361402594 /nfs/dbraw/zinc/40/25/94/361402594.db2.gz LKLGOGGXEHMJNL-NSHDSACASA-N 1 3 238.331 1.408 20 0 BDADHO Cc1ccc([C@@H](C)NCCOCCC[NH3+])o1 ZINC000629542466 361419839 /nfs/dbraw/zinc/41/98/39/361419839.db2.gz ZWODBCYTROBBFD-LLVKDONJSA-N 1 3 226.320 1.604 20 0 BDADHO C[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCCCN1 ZINC000629545822 361426531 /nfs/dbraw/zinc/42/65/31/361426531.db2.gz CTINFGMDYXOXRH-AHLTXXRQSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000629548374 361432447 /nfs/dbraw/zinc/43/24/47/361432447.db2.gz ZDTNDYDYPBYUBA-YNEHKIRRSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN(C)CC(F)F ZINC000629554695 361435730 /nfs/dbraw/zinc/43/57/30/361435730.db2.gz NQBRBZNQWWWJBE-MNOVXSKESA-N 1 3 249.349 1.161 20 0 BDADHO COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000629553215 361438083 /nfs/dbraw/zinc/43/80/83/361438083.db2.gz OVPFNSUURLNVGT-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CC1(C)CC(CN2CC3CC2(C[NH3+])C3)C1 ZINC000629551978 361444242 /nfs/dbraw/zinc/44/42/42/361444242.db2.gz ZAWLUIPHBOQADN-UHFFFAOYSA-N 1 3 208.349 1.846 20 0 BDADHO CCO[C@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000629541309 361416431 /nfs/dbraw/zinc/41/64/31/361416431.db2.gz ZBKDVSOOLICHQE-JHJVBQTASA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1cccs1 ZINC000629541767 361416780 /nfs/dbraw/zinc/41/67/80/361416780.db2.gz VMMDCDQPFHVDDG-SNVBAGLBSA-N 1 3 228.361 1.764 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629542609 361419653 /nfs/dbraw/zinc/41/96/53/361419653.db2.gz GZCXZGAYQOGEGZ-WUHRBBMRSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccn(C)c1 ZINC000629646814 361535488 /nfs/dbraw/zinc/53/54/88/361535488.db2.gz FKIVJTRKMXXCJF-PWSUYJOCSA-N 1 3 207.321 1.194 20 0 BDADHO COC1(C[NH2+]C[C@@]2(C)CCCNC2)CCCC1 ZINC000629648515 361540736 /nfs/dbraw/zinc/54/07/36/361540736.db2.gz VYCWTGWWQOATKE-ZDUSSCGKSA-N 1 3 240.391 1.925 20 0 BDADHO COC1(CNC[C@@]2(C)CCC[NH2+]C2)CCCC1 ZINC000629648515 361540741 /nfs/dbraw/zinc/54/07/41/361540741.db2.gz VYCWTGWWQOATKE-ZDUSSCGKSA-N 1 3 240.391 1.925 20 0 BDADHO COC1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CCCC1 ZINC000629649507 361545046 /nfs/dbraw/zinc/54/50/46/361545046.db2.gz UHWIUDBPIWMJGD-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO COC1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000629649507 361545049 /nfs/dbraw/zinc/54/50/49/361545049.db2.gz UHWIUDBPIWMJGD-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO C[N@H+](CC1=CCCOC1)C1CCNCC1 ZINC000629651801 361557504 /nfs/dbraw/zinc/55/75/04/361557504.db2.gz KFJRPZZWZZKKIG-UHFFFAOYSA-N 1 3 210.321 1.017 20 0 BDADHO C[N@@H+](CC1=CCCOC1)C1CCNCC1 ZINC000629651801 361557505 /nfs/dbraw/zinc/55/75/05/361557505.db2.gz KFJRPZZWZZKKIG-UHFFFAOYSA-N 1 3 210.321 1.017 20 0 BDADHO CN(CCCCCO)CCC[NH+]1CCCCC1 ZINC000434689549 201233922 /nfs/dbraw/zinc/23/39/22/201233922.db2.gz BSFKKCNCJWCWQY-UHFFFAOYSA-N 1 3 242.407 1.957 20 0 BDADHO CCCN1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000154505846 201281493 /nfs/dbraw/zinc/28/14/93/201281493.db2.gz FFGLPSFHCYKLOF-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740579 541307081 /nfs/dbraw/zinc/30/70/81/541307081.db2.gz CAWDIWCTQFFDTI-SJHCENCUSA-N 1 3 224.348 1.556 20 0 BDADHO [NH3+]CC1(O)CCN(Cc2cccc(F)c2)CC1 ZINC000335107294 181361265 /nfs/dbraw/zinc/36/12/65/181361265.db2.gz CGWZECAPZNOQFK-UHFFFAOYSA-N 1 3 238.306 1.111 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000580514359 364776806 /nfs/dbraw/zinc/77/68/06/364776806.db2.gz NPXYLMYZZFUHDW-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO COC[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000580514359 364776809 /nfs/dbraw/zinc/77/68/09/364776809.db2.gz NPXYLMYZZFUHDW-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CCCO1 ZINC000335011689 541418916 /nfs/dbraw/zinc/41/89/16/541418916.db2.gz XDYGYCZRKIBIQC-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CCCO1 ZINC000335011689 541418919 /nfs/dbraw/zinc/41/89/19/541418919.db2.gz XDYGYCZRKIBIQC-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO C(CN1CC[C@@]2(C1)CCC[NH2+]C2)[C@H]1CCCO1 ZINC000335011689 541418921 /nfs/dbraw/zinc/41/89/21/541418921.db2.gz XDYGYCZRKIBIQC-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC(C)(C)C[C@@H]1C ZINC000574050129 364977439 /nfs/dbraw/zinc/97/74/39/364977439.db2.gz BVFOWPJFJQVCRD-RYUDHWBXSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)C[C@@H]1C ZINC000574050129 364977442 /nfs/dbraw/zinc/97/74/42/364977442.db2.gz BVFOWPJFJQVCRD-RYUDHWBXSA-N 1 3 228.380 1.419 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCCC1)C1=CCN(C)CC1 ZINC000574073451 364982631 /nfs/dbraw/zinc/98/26/31/364982631.db2.gz DLAFBZXHFDJPOZ-LBPRGKRZSA-N 1 3 238.375 1.532 20 0 BDADHO [NH3+]CCCN1CCN(CCc2ccccc2)CC1 ZINC000019933740 181381553 /nfs/dbraw/zinc/38/15/53/181381553.db2.gz BYWNGDQKHIDJIT-UHFFFAOYSA-N 1 3 247.386 1.196 20 0 BDADHO Cn1cccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000172627121 365358221 /nfs/dbraw/zinc/35/82/21/365358221.db2.gz LOSHCRNDCCKRPB-UHFFFAOYSA-N 1 3 247.386 1.989 20 0 BDADHO CNCc1cccc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000575972910 365429606 /nfs/dbraw/zinc/42/96/06/365429606.db2.gz HGSBFWVADJVFLN-UHFFFAOYSA-N 1 3 249.358 1.733 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cn1 ZINC000581185351 367286512 /nfs/dbraw/zinc/28/65/12/367286512.db2.gz XCKJZDMSOQYMGU-KGLIPLIRSA-N 1 3 233.359 1.650 20 0 BDADHO CC(C)OCCCN1CCC[C@@H](C[NH3+])C1 ZINC000381714345 367449799 /nfs/dbraw/zinc/44/97/99/367449799.db2.gz KUZNSFLEVBFAAE-LBPRGKRZSA-N 1 3 214.353 1.472 20 0 BDADHO C(CNC1CC1)C[NH2+]C1CCSCC1 ZINC000382561469 367540196 /nfs/dbraw/zinc/54/01/96/367540196.db2.gz VAADNJWNUOXLFR-UHFFFAOYSA-N 1 3 214.378 1.614 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)[C@@H](C)O1 ZINC000382577961 367543920 /nfs/dbraw/zinc/54/39/20/367543920.db2.gz CLNAGVNMCMLRTP-CKYFFXLPSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCNC2CC2)[C@@H](C)O1 ZINC000382577961 367543925 /nfs/dbraw/zinc/54/39/25/367543925.db2.gz CLNAGVNMCMLRTP-CKYFFXLPSA-N 1 3 212.337 1.284 20 0 BDADHO Cc1ccc(CCC[N@H+](C)CCCN)cn1 ZINC000581488610 367519252 /nfs/dbraw/zinc/51/92/52/367519252.db2.gz QIHOOEYYQVMLNC-UHFFFAOYSA-N 1 3 221.348 1.603 20 0 BDADHO Cc1ccc(CCC[N@@H+](C)CCCN)cn1 ZINC000581488610 367519258 /nfs/dbraw/zinc/51/92/58/367519258.db2.gz QIHOOEYYQVMLNC-UHFFFAOYSA-N 1 3 221.348 1.603 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000581489208 367520175 /nfs/dbraw/zinc/52/01/75/367520175.db2.gz PJBQJACLSLIDAG-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000581613087 367634218 /nfs/dbraw/zinc/63/42/18/367634218.db2.gz QZUZEFKHISEELV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C)CC1 ZINC000581613087 367634226 /nfs/dbraw/zinc/63/42/26/367634226.db2.gz QZUZEFKHISEELV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)[C@@H](C)O1 ZINC000384571685 367702083 /nfs/dbraw/zinc/70/20/83/367702083.db2.gz JGQSUQBRFCIFGU-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)[C@@H](C)O1 ZINC000384571685 367702088 /nfs/dbraw/zinc/70/20/88/367702088.db2.gz JGQSUQBRFCIFGU-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CN(CCc1ccc2c(c1)CCO2)C1CC([NH3+])C1 ZINC000384858384 367744383 /nfs/dbraw/zinc/74/43/83/367744383.db2.gz CXXGSZUWBSOORO-UHFFFAOYSA-N 1 3 246.354 1.586 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384861439 367746660 /nfs/dbraw/zinc/74/66/60/367746660.db2.gz DMGQNJMQGYZUIE-WRWGMCAJSA-N 1 3 214.353 1.482 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000384928424 367760678 /nfs/dbraw/zinc/76/06/78/367760678.db2.gz SAUCFQCVIQKJKZ-UPJWGTAASA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384928424 367760684 /nfs/dbraw/zinc/76/06/84/367760684.db2.gz SAUCFQCVIQKJKZ-UPJWGTAASA-N 1 3 240.391 1.752 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](C)O1 ZINC000385224286 367810950 /nfs/dbraw/zinc/81/09/50/367810950.db2.gz SXHNDPGLPRQNQY-POQQGIQPSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H](C)O1 ZINC000385224286 367810956 /nfs/dbraw/zinc/81/09/56/367810956.db2.gz SXHNDPGLPRQNQY-POQQGIQPSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H](C)O1 ZINC000385098822 367791235 /nfs/dbraw/zinc/79/12/35/367791235.db2.gz HHWORCLBQKTIBX-XGFWRYKXSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H](C)O1 ZINC000385098822 367791238 /nfs/dbraw/zinc/79/12/38/367791238.db2.gz HHWORCLBQKTIBX-XGFWRYKXSA-N 1 3 238.375 1.769 20 0 BDADHO CCC(C)(C)[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000581878690 367865595 /nfs/dbraw/zinc/86/55/95/367865595.db2.gz BDAUSNZCGVFYFY-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO CCC(C)(C)[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000581878689 367865986 /nfs/dbraw/zinc/86/59/86/367865986.db2.gz BDAUSNZCGVFYFY-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000385881915 367873838 /nfs/dbraw/zinc/87/38/38/367873838.db2.gz LIBFHZMJZWYCPI-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CCCCN1 ZINC000386018219 367898770 /nfs/dbraw/zinc/89/87/70/367898770.db2.gz ODGGMAOKXXUTDQ-STQMWFEESA-N 1 3 236.363 1.393 20 0 BDADHO C[C@H](NCCCn1ccnc1)[C@@H]1CCCC[NH2+]1 ZINC000386018219 367898772 /nfs/dbraw/zinc/89/87/72/367898772.db2.gz ODGGMAOKXXUTDQ-STQMWFEESA-N 1 3 236.363 1.393 20 0 BDADHO C[C@H](NC[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386504054 367981594 /nfs/dbraw/zinc/98/15/94/367981594.db2.gz WDKOPOCBQHBDJH-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccccn2)C1 ZINC000086401856 368879022 /nfs/dbraw/zinc/87/90/22/368879022.db2.gz YEAISPSFPMKMBW-DGCLKSJQSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000086401856 368879023 /nfs/dbraw/zinc/87/90/23/368879023.db2.gz YEAISPSFPMKMBW-DGCLKSJQSA-N 1 3 219.332 1.484 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCC(F)(F)F)C1 ZINC000086404101 368880136 /nfs/dbraw/zinc/88/01/36/368880136.db2.gz IGXXCVZVMMIRID-JGVFFNPUSA-N 1 3 210.243 1.798 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCN2CCCCC2)C1 ZINC000086403683 368880213 /nfs/dbraw/zinc/88/02/13/368880213.db2.gz JBSXVYPGKVWMEN-QWHCGFSZSA-N 1 3 225.380 1.332 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)CCO1 ZINC000623657229 368998181 /nfs/dbraw/zinc/99/81/81/368998181.db2.gz LSWQXAYDKFHDEC-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](C)C2)[C@@H](C)O1 ZINC000623657136 368998189 /nfs/dbraw/zinc/99/81/89/368998189.db2.gz KIPXFXNWIXXATD-SYQHCUMBSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000623657136 368998190 /nfs/dbraw/zinc/99/81/90/368998190.db2.gz KIPXFXNWIXXATD-SYQHCUMBSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)CO1 ZINC000623657772 368999831 /nfs/dbraw/zinc/99/98/31/368999831.db2.gz YRGAZRNQCVHIRL-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657772 368999833 /nfs/dbraw/zinc/99/98/33/368999833.db2.gz YRGAZRNQCVHIRL-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657772 368999835 /nfs/dbraw/zinc/99/98/35/368999835.db2.gz YRGAZRNQCVHIRL-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000623655775 368991371 /nfs/dbraw/zinc/99/13/71/368991371.db2.gz FCVCHOGWKOABFT-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCOC2)C1 ZINC000623655775 368991373 /nfs/dbraw/zinc/99/13/73/368991373.db2.gz FCVCHOGWKOABFT-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCOC2)C1 ZINC000623655775 368991376 /nfs/dbraw/zinc/99/13/76/368991376.db2.gz FCVCHOGWKOABFT-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623655870 368991448 /nfs/dbraw/zinc/99/14/48/368991448.db2.gz HUQJDWARACYUHJ-RDBSUJKOSA-N 1 3 239.407 1.258 20 0 BDADHO CN1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000623656178 368993404 /nfs/dbraw/zinc/99/34/04/368993404.db2.gz OQEXLSZGIQGPHZ-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CCN1CC[C@H]([NH2+]CCN(C)C(C)C)[C@H](C)C1 ZINC000155750180 326210776 /nfs/dbraw/zinc/21/07/76/326210776.db2.gz RZQWFTWAZCDXSE-KGLIPLIRSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000459395648 203272849 /nfs/dbraw/zinc/27/28/49/203272849.db2.gz BIOQTTJBFYCJEW-AGIUHOORSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459395648 203272850 /nfs/dbraw/zinc/27/28/50/203272850.db2.gz BIOQTTJBFYCJEW-AGIUHOORSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459395648 203272854 /nfs/dbraw/zinc/27/28/54/203272854.db2.gz BIOQTTJBFYCJEW-AGIUHOORSA-N 1 3 240.391 1.610 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735751 326241156 /nfs/dbraw/zinc/24/11/56/326241156.db2.gz JCHJREHFLYAOLI-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC2(CCO)CC2)C1 ZINC000156735751 326241159 /nfs/dbraw/zinc/24/11/59/326241159.db2.gz JCHJREHFLYAOLI-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO CSCC[C@@H](C)N(C)C[C@H]1CC[NH2+]C1 ZINC000252687782 370115591 /nfs/dbraw/zinc/11/55/91/370115591.db2.gz MHYJDWZOSZXQEO-MNOVXSKESA-N 1 3 216.394 1.669 20 0 BDADHO Cc1nn(C)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252851223 370137042 /nfs/dbraw/zinc/13/70/42/370137042.db2.gz HZOTVWLTQGAIMA-UBHSHLNASA-N 1 3 248.374 1.288 20 0 BDADHO Cc1cc(CN2CCC([C@H](C)[NH3+])CC2)ccn1 ZINC000621773996 370518633 /nfs/dbraw/zinc/51/86/33/370518633.db2.gz HWQBNWPOICXWGC-LBPRGKRZSA-N 1 3 233.359 1.949 20 0 BDADHO CCn1cc(CCN[C@H](C[NH3+])C(C)(C)C)cn1 ZINC000621776413 370518790 /nfs/dbraw/zinc/51/87/90/370518790.db2.gz KRBFVUOEMRHVRN-GFCCVEGCSA-N 1 3 238.379 1.409 20 0 BDADHO COc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cn1 ZINC000621776164 370524272 /nfs/dbraw/zinc/52/42/72/370524272.db2.gz DIQGGQXLLXMMKF-LLVKDONJSA-N 1 3 237.347 1.553 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621782700 370531893 /nfs/dbraw/zinc/53/18/93/370531893.db2.gz RPVDZYMWOROMIS-STQMWFEESA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621782700 370531899 /nfs/dbraw/zinc/53/18/99/370531899.db2.gz RPVDZYMWOROMIS-STQMWFEESA-N 1 3 226.364 1.615 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631044815 371030356 /nfs/dbraw/zinc/03/03/56/371030356.db2.gz OAYWXXHDEJXCDH-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO CC[N@H+]1CC[C@@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631044815 371030364 /nfs/dbraw/zinc/03/03/64/371030364.db2.gz OAYWXXHDEJXCDH-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631044815 371030369 /nfs/dbraw/zinc/03/03/69/371030369.db2.gz OAYWXXHDEJXCDH-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO CN1CCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623786536 371092922 /nfs/dbraw/zinc/09/29/22/371092922.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623786536 371092929 /nfs/dbraw/zinc/09/29/29/371092929.db2.gz WMABSQNIQCQQLA-RDBSUJKOSA-N 1 3 237.391 1.297 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000623867091 371133821 /nfs/dbraw/zinc/13/38/21/371133821.db2.gz QQJQFOGHRXIEGW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCCO2)C1 ZINC000623867091 371133824 /nfs/dbraw/zinc/13/38/24/371133824.db2.gz QQJQFOGHRXIEGW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCCO2)C1 ZINC000623867091 371133826 /nfs/dbraw/zinc/13/38/26/371133826.db2.gz QQJQFOGHRXIEGW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+]CCOCCN1CCC[C@@H]1c1cccnc1 ZINC000569104359 326390186 /nfs/dbraw/zinc/39/01/86/326390186.db2.gz GVOQFDNJUBYAEB-CYBMUJFWSA-N 1 3 235.331 1.194 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631823671 372587345 /nfs/dbraw/zinc/58/73/45/372587345.db2.gz KVZDCBNOLPCBEC-QCNOEVLYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631823671 372587350 /nfs/dbraw/zinc/58/73/50/372587350.db2.gz KVZDCBNOLPCBEC-QCNOEVLYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000631827672 372607846 /nfs/dbraw/zinc/60/78/46/372607846.db2.gz UHOLKMFNFISUIP-MELADBBJSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCC[C@@H]1CCN ZINC000631826400 372605383 /nfs/dbraw/zinc/60/53/83/372605383.db2.gz MMQQCWBYTCLTFW-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@@H]1CCN ZINC000631826400 372605385 /nfs/dbraw/zinc/60/53/85/372605385.db2.gz MMQQCWBYTCLTFW-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO C(CC1CCC1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867714 372667015 /nfs/dbraw/zinc/66/70/15/372667015.db2.gz ZSVUEWGAXRWGHS-OLZOCXBDSA-N 1 3 208.349 1.908 20 0 BDADHO C[C@@H](CC[NH3+])NCc1ccc2c[nH]nc2c1 ZINC000220531966 134309897 /nfs/dbraw/zinc/30/98/97/134309897.db2.gz XHJVMNKEUFYHBZ-VIFPVBQESA-N 1 3 218.304 1.390 20 0 BDADHO CCOCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000120002138 170374832 /nfs/dbraw/zinc/37/48/32/170374832.db2.gz SPQJQGPXDYEWAX-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO CCOCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000336655787 170375426 /nfs/dbraw/zinc/37/54/26/170375426.db2.gz AAMJCZMEFGUDAM-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO OC1(CN2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000336711316 183019076 /nfs/dbraw/zinc/01/90/76/183019076.db2.gz LZVXKKAWVWOWPK-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO OC1(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CCC1 ZINC000336711316 183019079 /nfs/dbraw/zinc/01/90/79/183019079.db2.gz LZVXKKAWVWOWPK-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO OC1(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CCC1 ZINC000336711316 183019081 /nfs/dbraw/zinc/01/90/81/183019081.db2.gz LZVXKKAWVWOWPK-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680188 169007441 /nfs/dbraw/zinc/00/74/41/169007441.db2.gz JYERMPZODSGSJB-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO OC[C@H]1CCCCN(CCC[NH+]2CCCC2)C1 ZINC000372885863 183146266 /nfs/dbraw/zinc/14/62/66/183146266.db2.gz WSXFNLNVDHHMIO-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO CCCN(C)CC(=O)N(CC)CCC[NH+](C)C ZINC000338895149 169065828 /nfs/dbraw/zinc/06/58/28/169065828.db2.gz NCJWDHRINHUALT-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO O[C@H]1C[N@H+](CCCN2CCCCC2)CC12CC2 ZINC000364602485 183243317 /nfs/dbraw/zinc/24/33/17/183243317.db2.gz RHPNJRKQRJWULZ-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO O[C@H]1C[N@@H+](CCCN2CCCCC2)CC12CC2 ZINC000364602485 183243319 /nfs/dbraw/zinc/24/33/19/183243319.db2.gz RHPNJRKQRJWULZ-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO CCC[N@H+](CCC(=O)OCC)C1CCNCC1 ZINC000042430817 169139767 /nfs/dbraw/zinc/13/97/67/169139767.db2.gz OQVKOIMIOLOKTM-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO CCC[N@@H+](CCC(=O)OCC)C1CCNCC1 ZINC000042430817 169139770 /nfs/dbraw/zinc/13/97/70/169139770.db2.gz OQVKOIMIOLOKTM-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO CCCN(CCC(=O)OCC)C1CC[NH2+]CC1 ZINC000042430817 169139771 /nfs/dbraw/zinc/13/97/71/169139771.db2.gz OQVKOIMIOLOKTM-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO CCCN1CCC([NH2+]CCCN(C)C)CC1 ZINC000019958212 169187984 /nfs/dbraw/zinc/18/79/84/169187984.db2.gz RIXCWPNTSVGASL-UHFFFAOYSA-N 1 3 227.396 1.402 20 0 BDADHO CCCN1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000091007364 169188886 /nfs/dbraw/zinc/18/88/86/169188886.db2.gz XZDMDWAWGOBLIZ-UHFFFAOYSA-N 1 3 235.375 1.989 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000129223325 169189546 /nfs/dbraw/zinc/18/95/46/169189546.db2.gz UUMWCLIHJGMBGR-OLZOCXBDSA-N 1 3 240.391 1.610 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000341898835 169190421 /nfs/dbraw/zinc/19/04/21/169190421.db2.gz UQNGRWHXWDTIPQ-OCCSQVGLSA-N 1 3 239.407 1.401 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353518655 169207102 /nfs/dbraw/zinc/20/71/02/169207102.db2.gz LIZIVGJJDVZBCQ-HSBZDZAISA-N 1 3 240.391 1.611 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000336764430 169209023 /nfs/dbraw/zinc/20/90/23/169209023.db2.gz PXSSUWJPSMANDS-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340205432 169209456 /nfs/dbraw/zinc/20/94/56/169209456.db2.gz XLRPLHCBTBMFGD-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCOC2(C)C)C1 ZINC000340205432 169209457 /nfs/dbraw/zinc/20/94/57/169209457.db2.gz XLRPLHCBTBMFGD-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCOC2(C)C)C1 ZINC000340205432 169209459 /nfs/dbraw/zinc/20/94/59/169209459.db2.gz XLRPLHCBTBMFGD-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[NH2+]CCNC(=O)[C@H](CC)N(CC)CC ZINC000338226588 169259375 /nfs/dbraw/zinc/25/93/75/169259375.db2.gz IAWWPVPIKVCCQN-LBPRGKRZSA-N 1 3 243.395 1.223 20 0 BDADHO CCCNCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000053388051 169260408 /nfs/dbraw/zinc/26/04/08/169260408.db2.gz CPFHRYKXPXLIIB-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO COC1CC(NCCC[N@H+](C)C(C)C)C1 ZINC000220833925 134316336 /nfs/dbraw/zinc/31/63/36/134316336.db2.gz CTJMZRNGEMDJDC-UHFFFAOYSA-N 1 3 214.353 1.484 20 0 BDADHO COC1CC(NCCC[N@@H+](C)C(C)C)C1 ZINC000220833925 134316337 /nfs/dbraw/zinc/31/63/37/134316337.db2.gz CTJMZRNGEMDJDC-UHFFFAOYSA-N 1 3 214.353 1.484 20 0 BDADHO COC1CC([NH2+]CCCN(C)C(C)C)C1 ZINC000220833925 134316338 /nfs/dbraw/zinc/31/63/38/134316338.db2.gz CTJMZRNGEMDJDC-UHFFFAOYSA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@@H](CNC[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190174 383867308 /nfs/dbraw/zinc/86/73/08/383867308.db2.gz WCYXKMYEFKYLKA-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000400190174 383867311 /nfs/dbraw/zinc/86/73/11/383867311.db2.gz WCYXKMYEFKYLKA-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1CCCO1 ZINC000251271505 383881305 /nfs/dbraw/zinc/88/13/05/383881305.db2.gz XSGQKRSWJLWIOO-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1OCC[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000336420612 383834931 /nfs/dbraw/zinc/83/49/31/383834931.db2.gz WPWOAJWJVJIADI-SMDDNHRTSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@]1(C)CC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000518547197 383996631 /nfs/dbraw/zinc/99/66/31/383996631.db2.gz YDTZXNKERHOTQT-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@]1(C)CC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000518547197 383996636 /nfs/dbraw/zinc/99/66/36/383996636.db2.gz YDTZXNKERHOTQT-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@]1(C)CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000518547197 383996641 /nfs/dbraw/zinc/99/66/41/383996641.db2.gz YDTZXNKERHOTQT-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000401787178 384004121 /nfs/dbraw/zinc/00/41/21/384004121.db2.gz LMTMTZNFLNGVDF-VXGBXAGGSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@@H]1[C@@H](C)N(CC[NH+]2CCCCC2)CCN1C ZINC000335895732 384093600 /nfs/dbraw/zinc/09/36/00/384093600.db2.gz AUKUHRFBZLPBRW-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000227921478 134399980 /nfs/dbraw/zinc/39/99/80/134399980.db2.gz PCRZBOLIOBUEMB-NEPJUHHUSA-N 1 3 228.380 1.502 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC000228474052 384258034 /nfs/dbraw/zinc/25/80/34/384258034.db2.gz MSRUTIOSCBMISJ-IVZWLZJFSA-N 1 3 236.281 1.998 20 0 BDADHO C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000228556066 384277603 /nfs/dbraw/zinc/27/76/03/384277603.db2.gz RMEZHPMMNGDEKS-VHSXEESVSA-N 1 3 200.351 1.081 20 0 BDADHO C[C@@H]1Cc2ccccc2CN1CCC[NH3+] ZINC000082791054 384266144 /nfs/dbraw/zinc/26/61/44/384266144.db2.gz MNVVJXZMRZPVJE-LLVKDONJSA-N 1 3 204.317 1.782 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](CCCOC)C1 ZINC000174219510 384306657 /nfs/dbraw/zinc/30/66/57/384306657.db2.gz NIFMGLIZMHVNQO-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](CCCOC)C1 ZINC000174219510 384306662 /nfs/dbraw/zinc/30/66/62/384306662.db2.gz NIFMGLIZMHVNQO-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000236238736 384287064 /nfs/dbraw/zinc/28/70/64/384287064.db2.gz BOEFZLJFFKRPEG-CHWSQXEVSA-N 1 3 226.364 1.520 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOCC1CC1 ZINC000236238736 384287069 /nfs/dbraw/zinc/28/70/69/384287069.db2.gz BOEFZLJFFKRPEG-CHWSQXEVSA-N 1 3 226.364 1.520 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000096033399 384423998 /nfs/dbraw/zinc/42/39/98/384423998.db2.gz SXUCXWPDDGONGB-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccs1 ZINC000084218135 384377444 /nfs/dbraw/zinc/37/74/44/384377444.db2.gz VCYVXUYKJXNTMY-KOLCDFICSA-N 1 3 210.346 1.965 20 0 BDADHO C[C@]1(CN2CCC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000647515913 384462047 /nfs/dbraw/zinc/46/20/47/384462047.db2.gz ZTZLPFHYKMVAOP-STQMWFEESA-N 1 3 226.364 1.080 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590673 384520728 /nfs/dbraw/zinc/52/07/28/384520728.db2.gz PTPCHCLMAWZAIG-VHSXEESVSA-N 1 3 200.351 1.305 20 0 BDADHO N[C@H]1CCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000061590673 384520734 /nfs/dbraw/zinc/52/07/34/384520734.db2.gz PTPCHCLMAWZAIG-VHSXEESVSA-N 1 3 200.351 1.305 20 0 BDADHO CC(C)C[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336654881 384641219 /nfs/dbraw/zinc/64/12/19/384641219.db2.gz GXUXKWNTORAQQY-LBPRGKRZSA-N 1 3 228.380 1.467 20 0 BDADHO COC1(C[NH2+]C[C@@H](C)CN)CCCC1 ZINC000308515635 384777682 /nfs/dbraw/zinc/77/76/82/384777682.db2.gz NKOLYPVUUVSIAS-JTQLQIEISA-N 1 3 200.326 1.130 20 0 BDADHO Nc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000647546618 384732589 /nfs/dbraw/zinc/73/25/89/384732589.db2.gz RZGOXJCRAFEFEO-VXGBXAGGSA-N 1 3 234.347 1.101 20 0 BDADHO CC(C)[NH+]1CCC(NCC[C@@H](C)O)CC1 ZINC000082992877 384734922 /nfs/dbraw/zinc/73/49/22/384734922.db2.gz JLAPSYWDJYPEHE-LLVKDONJSA-N 1 3 214.353 1.220 20 0 BDADHO C[C@H]1C[NH2+]C[C@H](NCC2(CCO)CCCC2)C1 ZINC000647550510 384747320 /nfs/dbraw/zinc/74/73/20/384747320.db2.gz VHYHAURSUDPQMW-CHWSQXEVSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@@]1(CNCCOCc2ccccc2)CC[NH2+]C1 ZINC000390028422 384823622 /nfs/dbraw/zinc/82/36/22/384823622.db2.gz WKXXISKZOYJZFN-OAHLLOKOSA-N 1 3 248.370 1.792 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1(C)C ZINC000310100027 384831604 /nfs/dbraw/zinc/83/16/04/384831604.db2.gz BBLJPVKBPHAGGU-YNEHKIRRSA-N 1 3 242.407 1.977 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cnccc1N ZINC000423358593 384832559 /nfs/dbraw/zinc/83/25/59/384832559.db2.gz BWUNWJBSYKKCDH-DCAQKATOSA-N 1 3 234.347 1.415 20 0 BDADHO C[C@H](C[NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000054343708 384835190 /nfs/dbraw/zinc/83/51/90/384835190.db2.gz PTJJULDGNNUNKS-DGCLKSJQSA-N 1 3 249.358 1.000 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000126372651 384794872 /nfs/dbraw/zinc/79/48/72/384794872.db2.gz SIAFUAWUGSZIKD-KBPBESRZSA-N 1 3 235.375 1.988 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000126372420 384795089 /nfs/dbraw/zinc/79/50/89/384795089.db2.gz SIAFUAWUGSZIKD-KGLIPLIRSA-N 1 3 235.375 1.988 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cccn2C)C1 ZINC000175013547 384859992 /nfs/dbraw/zinc/85/99/92/384859992.db2.gz CGLURJJKFRSILV-OLZOCXBDSA-N 1 3 235.375 1.988 20 0 BDADHO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000259214867 384958999 /nfs/dbraw/zinc/95/89/99/384958999.db2.gz XJCYNSHYVGNUHM-QWHCGFSZSA-N 1 3 220.316 1.665 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000644531299 384932629 /nfs/dbraw/zinc/93/26/29/384932629.db2.gz IXHVOLIRXPCMMX-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](C)O)C1 ZINC000644531299 384932637 /nfs/dbraw/zinc/93/26/37/384932637.db2.gz IXHVOLIRXPCMMX-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](C)O)C1 ZINC000644531299 384932642 /nfs/dbraw/zinc/93/26/42/384932642.db2.gz IXHVOLIRXPCMMX-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO CO[C@@H](C)C[N@H+](C[C@@H]1CCCNC1)C(C)C ZINC000226438849 385021061 /nfs/dbraw/zinc/02/10/61/385021061.db2.gz PCZDBOYFENGHLZ-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@@H](C)C[N@@H+](C[C@@H]1CCCNC1)C(C)C ZINC000226438849 385021067 /nfs/dbraw/zinc/02/10/67/385021067.db2.gz PCZDBOYFENGHLZ-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@@H](C)CN(C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000226438849 385021074 /nfs/dbraw/zinc/02/10/74/385021074.db2.gz PCZDBOYFENGHLZ-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO Cc1c(CN[C@@H]2CCCC[C@@H]2C[NH3+])cnn1C ZINC000226305816 384968745 /nfs/dbraw/zinc/96/87/45/384968745.db2.gz JWERTSAQBZOYCD-DGCLKSJQSA-N 1 3 236.363 1.336 20 0 BDADHO [NH3+]CC[C@H]1CCCN(Cc2ccns2)C1 ZINC000404486968 385022229 /nfs/dbraw/zinc/02/22/29/385022229.db2.gz CTFPKOZBDRGMOD-SNVBAGLBSA-N 1 3 225.361 1.704 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000644588780 384991718 /nfs/dbraw/zinc/99/17/18/384991718.db2.gz UFEXGGTVMBMSQI-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000644588780 384991724 /nfs/dbraw/zinc/99/17/24/384991724.db2.gz UFEXGGTVMBMSQI-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@H]1CCN(CC(C)C)C1 ZINC000644588780 384991734 /nfs/dbraw/zinc/99/17/34/384991734.db2.gz UFEXGGTVMBMSQI-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCc1ccccc1 ZINC000404789844 385062488 /nfs/dbraw/zinc/06/24/88/385062488.db2.gz QVDRLMAACBDANJ-CHWSQXEVSA-N 1 3 218.344 1.945 20 0 BDADHO Cc1ccncc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310852123 385192502 /nfs/dbraw/zinc/19/25/02/385192502.db2.gz MIMUEFGCGYCBJB-OKILXGFUSA-N 1 3 245.370 1.821 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000644784222 385168166 /nfs/dbraw/zinc/16/81/66/385168166.db2.gz WKKJNCGJSSBYPI-CHWSQXEVSA-N 1 3 224.348 1.193 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000644784222 385168170 /nfs/dbraw/zinc/16/81/70/385168170.db2.gz WKKJNCGJSSBYPI-CHWSQXEVSA-N 1 3 224.348 1.193 20 0 BDADHO CCCCOCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404916709 385172645 /nfs/dbraw/zinc/17/26/45/385172645.db2.gz WOTPBDGGABEBAW-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CCCCOCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000404916709 385172651 /nfs/dbraw/zinc/17/26/51/385172651.db2.gz WOTPBDGGABEBAW-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000643349607 385181042 /nfs/dbraw/zinc/18/10/42/385181042.db2.gz GXWOLIPVXNJJLB-CYBMUJFWSA-N 1 3 226.364 1.221 20 0 BDADHO C[NH+](C)CCCCN[C@@H]1CCn2ccnc21 ZINC000294155687 385228453 /nfs/dbraw/zinc/22/84/53/385228453.db2.gz QKSHXZILPLHEGY-LLVKDONJSA-N 1 3 222.336 1.259 20 0 BDADHO CCc1ccc(CCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359326168 385231425 /nfs/dbraw/zinc/23/14/25/385231425.db2.gz WZPRHYYPFSEPKD-IYBDPMFKSA-N 1 3 244.382 1.943 20 0 BDADHO COCC[C@H](C)[NH2+]CCCN1CCCC1 ZINC000045018352 385234390 /nfs/dbraw/zinc/23/43/90/385234390.db2.gz DFVHZUPZPYHQCO-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO [NH3+]Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000131206251 385319936 /nfs/dbraw/zinc/31/99/36/385319936.db2.gz AXUYVLJDKWHRLB-GFCCVEGCSA-N 1 3 233.315 1.226 20 0 BDADHO CN(C)Cc1cccc(C(=O)NCCCC[NH3+])c1 ZINC000237038049 385258981 /nfs/dbraw/zinc/25/89/81/385258981.db2.gz UDVDWHBHXZYNBH-UHFFFAOYSA-N 1 3 249.358 1.217 20 0 BDADHO CO[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168274 385327521 /nfs/dbraw/zinc/32/75/21/385327521.db2.gz MCXUCKVLLWXSAE-RISCZKNCSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168274 385327526 /nfs/dbraw/zinc/32/75/26/385327526.db2.gz MCXUCKVLLWXSAE-RISCZKNCSA-N 1 3 238.375 1.485 20 0 BDADHO CCC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309235284 385490730 /nfs/dbraw/zinc/49/07/30/385490730.db2.gz XKCDFLOIWFNLRF-NSHDSACASA-N 1 3 214.353 1.221 20 0 BDADHO C[C@@H](N)[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645563 385627290 /nfs/dbraw/zinc/62/72/90/385627290.db2.gz HZUHCUBNNLRXTF-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H](N)[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645563 385627294 /nfs/dbraw/zinc/62/72/94/385627294.db2.gz HZUHCUBNNLRXTF-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO C[NH2+]C[C@H](C)CNCCCc1ccc(C)nc1 ZINC000414854491 385695660 /nfs/dbraw/zinc/69/56/60/385695660.db2.gz VBSFSYYARAQYNO-LBPRGKRZSA-N 1 3 235.375 1.768 20 0 BDADHO CNC[C@H](C)C[NH2+]CCCc1ccc(C)nc1 ZINC000414854491 385695663 /nfs/dbraw/zinc/69/56/63/385695663.db2.gz VBSFSYYARAQYNO-LBPRGKRZSA-N 1 3 235.375 1.768 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCOC1 ZINC000309580873 385714302 /nfs/dbraw/zinc/71/43/02/385714302.db2.gz QIGUBWUTYQDRQN-DGCLKSJQSA-N 1 3 224.348 1.263 20 0 BDADHO C[C@H](NCCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763851 385734884 /nfs/dbraw/zinc/73/48/84/385734884.db2.gz CEPUASABVJAJSO-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](NCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763851 385734885 /nfs/dbraw/zinc/73/48/85/385734885.db2.gz CEPUASABVJAJSO-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]([NH2+]CCO)[C@@H]1CCCN(C2CCC2)C1 ZINC000185763851 385734887 /nfs/dbraw/zinc/73/48/87/385734887.db2.gz CEPUASABVJAJSO-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO CN(C)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000309648206 385768373 /nfs/dbraw/zinc/76/83/73/385768373.db2.gz MZPKXGUHUDYNGI-XQQFMLRXSA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309648206 385768376 /nfs/dbraw/zinc/76/83/76/385768376.db2.gz MZPKXGUHUDYNGI-XQQFMLRXSA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309648206 385768379 /nfs/dbraw/zinc/76/83/79/385768379.db2.gz MZPKXGUHUDYNGI-XQQFMLRXSA-N 1 3 225.380 1.010 20 0 BDADHO CC[C@H](CN1CC[C@H](C[NH+](C)C)C1)OC ZINC000412977986 385825609 /nfs/dbraw/zinc/82/56/09/385825609.db2.gz OLRSFUNAKCPWSH-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000414944201 385789392 /nfs/dbraw/zinc/78/93/92/385789392.db2.gz NSMTXEWTVCRCMK-IPYPFGDCSA-N 1 3 247.386 1.444 20 0 BDADHO COC(C)(C)[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336656872 385791039 /nfs/dbraw/zinc/79/10/39/385791039.db2.gz ANCOQNSZEHKFJB-QWRGUYRKSA-N 1 3 216.369 1.587 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CCCCO1 ZINC000308880155 385903684 /nfs/dbraw/zinc/90/36/84/385903684.db2.gz VLCJCVCNJPKBNV-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO CO[C@H]1CC[N@H+](CCc2ccccc2)[C@H](CN)C1 ZINC000161007972 385930212 /nfs/dbraw/zinc/93/02/12/385930212.db2.gz WHCNBHTWNJPIHV-GJZGRUSLSA-N 1 3 248.370 1.667 20 0 BDADHO CO[C@H]1CC[N@@H+](CCc2ccccc2)[C@H](CN)C1 ZINC000161007972 385930216 /nfs/dbraw/zinc/93/02/16/385930216.db2.gz WHCNBHTWNJPIHV-GJZGRUSLSA-N 1 3 248.370 1.667 20 0 BDADHO C(C[N@H+](C1CC1)C1CCNCC1)[C@H]1CCCO1 ZINC000647815322 385867890 /nfs/dbraw/zinc/86/78/90/385867890.db2.gz ZIOLNLNRHNKAPC-CQSZACIVSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[N@@H+](C1CC1)C1CCNCC1)[C@H]1CCCO1 ZINC000647815322 385867893 /nfs/dbraw/zinc/86/78/93/385867893.db2.gz ZIOLNLNRHNKAPC-CQSZACIVSA-N 1 3 238.375 1.772 20 0 BDADHO C(CN(C1CC1)C1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000647815322 385867896 /nfs/dbraw/zinc/86/78/96/385867896.db2.gz ZIOLNLNRHNKAPC-CQSZACIVSA-N 1 3 238.375 1.772 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000353562694 385877455 /nfs/dbraw/zinc/87/74/55/385877455.db2.gz BMTVJIWCTBDVDF-GFCCVEGCSA-N 1 3 221.348 1.409 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000353562694 385877459 /nfs/dbraw/zinc/87/74/59/385877459.db2.gz BMTVJIWCTBDVDF-GFCCVEGCSA-N 1 3 221.348 1.409 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CC(C(F)(F)F)C1 ZINC000335018956 385977930 /nfs/dbraw/zinc/97/79/30/385977930.db2.gz XYKURWZWBFPYOB-NFTFJBJSSA-N 1 3 236.281 1.915 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1Cc2ccccc2C1 ZINC000335043067 385935958 /nfs/dbraw/zinc/93/59/58/385935958.db2.gz MKCYULUBJMFPLT-MLGOLLRUSA-N 1 3 244.382 1.989 20 0 BDADHO Cc1ccc(CCC[NH2+]C[C@@H](C)CN)cn1 ZINC000414878635 385937280 /nfs/dbraw/zinc/93/72/80/385937280.db2.gz OMWIILVXJAEVQX-NSHDSACASA-N 1 3 221.348 1.507 20 0 BDADHO CO[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000425399840 385948791 /nfs/dbraw/zinc/94/87/91/385948791.db2.gz FDGKFPTYVTURIR-AAEUAGOBSA-N 1 3 226.364 1.295 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc2c[nH]nc21 ZINC000414879480 385952305 /nfs/dbraw/zinc/95/23/05/385952305.db2.gz PMKRZZWJCQRUJG-VIFPVBQESA-N 1 3 218.304 1.247 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251475715 385954205 /nfs/dbraw/zinc/95/42/05/385954205.db2.gz FDYCDIQGHIIYFD-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251475715 385954210 /nfs/dbraw/zinc/95/42/10/385954210.db2.gz FDYCDIQGHIIYFD-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1CCCCO1 ZINC000251258771 385960474 /nfs/dbraw/zinc/96/04/74/385960474.db2.gz VUCBFOFLXBMSIT-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1CCO ZINC000338313275 385963273 /nfs/dbraw/zinc/96/32/73/385963273.db2.gz DMRJVSDBEUKOBS-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H]1CCO ZINC000338313275 385963277 /nfs/dbraw/zinc/96/32/77/385963277.db2.gz DMRJVSDBEUKOBS-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO COCc1cccc(CN[C@H](C)CC[NH3+])c1 ZINC000414881999 386009446 /nfs/dbraw/zinc/00/94/46/386009446.db2.gz LMVDYCQPMNUDQZ-LLVKDONJSA-N 1 3 222.332 1.660 20 0 BDADHO Cc1ccc(-c2n[nH]cc2CNC[C@@H](C)C[NH3+])o1 ZINC000414882353 386011081 /nfs/dbraw/zinc/01/10/81/386011081.db2.gz UCNUHUOEUFDOTD-VIFPVBQESA-N 1 3 248.330 1.663 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H](C)CN)CCO1 ZINC000414884807 386049484 /nfs/dbraw/zinc/04/94/84/386049484.db2.gz WJCNVZZFWVJLJZ-IJLUTSLNSA-N 1 3 214.353 1.376 20 0 BDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000345316693 386103258 /nfs/dbraw/zinc/10/32/58/386103258.db2.gz ARMXJIPBZMTSTQ-MNOVXSKESA-N 1 3 243.395 1.219 20 0 BDADHO CO[C@H](C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000223985411 386118815 /nfs/dbraw/zinc/11/88/15/386118815.db2.gz LHOHVQBSTRCHHD-GFCCVEGCSA-N 1 3 249.358 1.675 20 0 BDADHO c1ccc(OCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000129195509 386062674 /nfs/dbraw/zinc/06/26/74/386062674.db2.gz NIEPVNNGUXWPAD-CYBMUJFWSA-N 1 3 234.343 1.797 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336753531 386063833 /nfs/dbraw/zinc/06/38/33/386063833.db2.gz GXPPLVZSPYUQFS-MNOVXSKESA-N 1 3 212.337 1.261 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)CCO1 ZINC000414886394 386074556 /nfs/dbraw/zinc/07/45/56/386074556.db2.gz XYELROZTODMCSN-WOPDTQHZSA-N 1 3 214.353 1.374 20 0 BDADHO [NH3+][C@H](CN[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000414886734 386077460 /nfs/dbraw/zinc/07/74/60/386077460.db2.gz HWBPSLPCLJOUHF-HUUCEWRRSA-N 1 3 230.355 1.871 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)C1CC1 ZINC000425482438 386152266 /nfs/dbraw/zinc/15/22/66/386152266.db2.gz QSJVNYVQWBFNBO-UONOGXRCSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)C1CC1 ZINC000425482438 386152273 /nfs/dbraw/zinc/15/22/73/386152273.db2.gz QSJVNYVQWBFNBO-UONOGXRCSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H](CN1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000425482438 386152276 /nfs/dbraw/zinc/15/22/76/386152276.db2.gz QSJVNYVQWBFNBO-UONOGXRCSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)CC1(C)C ZINC000414691371 386189180 /nfs/dbraw/zinc/18/91/80/386189180.db2.gz BKBGKRSMMYZLFV-GFCCVEGCSA-N 1 3 227.396 1.386 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](N)C1 ZINC000346086183 386140946 /nfs/dbraw/zinc/14/09/46/386140946.db2.gz IFMYMCVVWLVKAR-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@H](N)C1 ZINC000346086183 386140950 /nfs/dbraw/zinc/14/09/50/386140950.db2.gz IFMYMCVVWLVKAR-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC1(CO)CC1 ZINC000190028365 386142297 /nfs/dbraw/zinc/14/22/97/386142297.db2.gz QAOBTHAPPRDLEH-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC1(CO)CC1 ZINC000190028365 386142303 /nfs/dbraw/zinc/14/23/03/386142303.db2.gz QAOBTHAPPRDLEH-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N(C[C@H]1CCOC1)C1CC1 ZINC000647875053 386142787 /nfs/dbraw/zinc/14/27/87/386142787.db2.gz SYJCKDKEMWDFNJ-VXGBXAGGSA-N 1 3 224.348 1.097 20 0 BDADHO [NH3+]CCCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000414704149 386213753 /nfs/dbraw/zinc/21/37/53/386213753.db2.gz JKJIFXOMVPDFIQ-GXTWGEPZSA-N 1 3 237.391 1.284 20 0 BDADHO CCS[C@H]1CC[C@@H]([N@H+](C)CCCN)C1 ZINC000414712642 386229940 /nfs/dbraw/zinc/22/99/40/386229940.db2.gz UXCMPICJZYUFFE-MNOVXSKESA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCN)C1 ZINC000414712642 386229945 /nfs/dbraw/zinc/22/99/45/386229945.db2.gz UXCMPICJZYUFFE-MNOVXSKESA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@H]1CC[C@@H](N(C)CCC[NH3+])C1 ZINC000414712642 386229948 /nfs/dbraw/zinc/22/99/48/386229948.db2.gz UXCMPICJZYUFFE-MNOVXSKESA-N 1 3 216.394 1.941 20 0 BDADHO CC[C@@](C)(CCO)NC[C@H]([NH3+])CC(C)C ZINC000414713856 386236583 /nfs/dbraw/zinc/23/65/83/386236583.db2.gz URYJMQRIXBKVSB-NEPJUHHUSA-N 1 3 216.369 1.501 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000125288980 386241223 /nfs/dbraw/zinc/24/12/23/386241223.db2.gz GVAXNYAVRNFRIV-NWDGAFQWSA-N 1 3 214.353 1.484 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CNC)C2)CCO1 ZINC000347096315 386246940 /nfs/dbraw/zinc/24/69/40/386246940.db2.gz HTCHKTQXHWMFOQ-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CNC)C2)CCO1 ZINC000347096315 386246946 /nfs/dbraw/zinc/24/69/46/386246946.db2.gz HTCHKTQXHWMFOQ-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@@H](CN2CC[C@H](C[NH2+]C)C2)CCO1 ZINC000347096315 386246952 /nfs/dbraw/zinc/24/69/52/386246952.db2.gz HTCHKTQXHWMFOQ-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](N)CC(C)C ZINC000414694875 386192931 /nfs/dbraw/zinc/19/29/31/386192931.db2.gz GIPCKADZWOFQNN-NEPJUHHUSA-N 1 3 242.363 1.387 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](N)CC(C)C ZINC000414694875 386192936 /nfs/dbraw/zinc/19/29/36/386192936.db2.gz GIPCKADZWOFQNN-NEPJUHHUSA-N 1 3 242.363 1.387 20 0 BDADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](N)CC(C)C ZINC000414694878 386193821 /nfs/dbraw/zinc/19/38/21/386193821.db2.gz GIPCKADZWOFQNN-VXGBXAGGSA-N 1 3 242.363 1.387 20 0 BDADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](N)CC(C)C ZINC000414694878 386193824 /nfs/dbraw/zinc/19/38/24/386193824.db2.gz GIPCKADZWOFQNN-VXGBXAGGSA-N 1 3 242.363 1.387 20 0 BDADHO C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900978 386288338 /nfs/dbraw/zinc/28/83/38/386288338.db2.gz FOUJEODIFJIARY-YVECIDJPSA-N 1 3 236.359 1.143 20 0 BDADHO CC(C)[NH+]1CCC(N(C)CC[C@H](C)O)CC1 ZINC000336674052 386305119 /nfs/dbraw/zinc/30/51/19/386305119.db2.gz LAVGWBWCMSZGAF-LBPRGKRZSA-N 1 3 228.380 1.562 20 0 BDADHO CCN1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414735250 386310506 /nfs/dbraw/zinc/31/05/06/386310506.db2.gz GRFNKPJVHUFEME-OLZOCXBDSA-N 1 3 241.423 1.789 20 0 BDADHO COC1(C)CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336680011 386320532 /nfs/dbraw/zinc/32/05/32/386320532.db2.gz DKJZKMZLBZTIID-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO COC1(C)CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336680011 386320536 /nfs/dbraw/zinc/32/05/36/386320536.db2.gz DKJZKMZLBZTIID-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000414746597 386346471 /nfs/dbraw/zinc/34/64/71/386346471.db2.gz SLFKVKJNSBQEQR-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000414746597 386346472 /nfs/dbraw/zinc/34/64/72/386346472.db2.gz SLFKVKJNSBQEQR-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO Cc1n[nH]cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269648 386353112 /nfs/dbraw/zinc/35/31/12/386353112.db2.gz LVWWGUHPCZWHLK-TXEJJXNPSA-N 1 3 234.347 1.150 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@H](C3CC3)C2)CC[NH2+]1 ZINC000414748038 386359050 /nfs/dbraw/zinc/35/90/50/386359050.db2.gz UBGTXONFJMMING-BZPMIXESSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000414748045 386359905 /nfs/dbraw/zinc/35/99/05/386359905.db2.gz UBGTXONFJMMING-YRGRVCCFSA-N 1 3 238.375 1.485 20 0 BDADHO CC1(CNCc2ccccn2)CC[NH2+]CC1 ZINC000414905728 386365048 /nfs/dbraw/zinc/36/50/48/386365048.db2.gz ORJYOHJJQOHIMR-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])[C@@H](N)c1ccccc1 ZINC000237439638 386379670 /nfs/dbraw/zinc/37/96/70/386379670.db2.gz TXSJXOPDTZCSMI-GMXVVIOVSA-N 1 3 249.358 1.128 20 0 BDADHO COCC1(C)CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647989910 386379910 /nfs/dbraw/zinc/37/99/10/386379910.db2.gz DMUYCXISUMPGTQ-LBPRGKRZSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H](N)CC(C)C)C[C@@H]1O ZINC000414752403 386381623 /nfs/dbraw/zinc/38/16/23/386381623.db2.gz BVJYPYZBPDSHMK-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H](N)CC(C)C)C[C@@H]1O ZINC000414752403 386381628 /nfs/dbraw/zinc/38/16/28/386381628.db2.gz BVJYPYZBPDSHMK-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336717887 386439338 /nfs/dbraw/zinc/43/93/38/386439338.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336717887 386439342 /nfs/dbraw/zinc/43/93/42/386439342.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCOC2)C1 ZINC000336717887 386439343 /nfs/dbraw/zinc/43/93/43/386439343.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCOC2)C1 ZINC000336717887 386439350 /nfs/dbraw/zinc/43/93/50/386439350.db2.gz WOIBNVKBOIJSGD-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237618649 386397599 /nfs/dbraw/zinc/39/75/99/386397599.db2.gz TXSJXOPDTZCSMI-NTZNESFSSA-N 1 3 249.358 1.128 20 0 BDADHO Cc1cnn(CC[N@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000336709558 386421233 /nfs/dbraw/zinc/42/12/33/386421233.db2.gz OLWWIDPCEFJAQE-CYBMUJFWSA-N 1 3 236.363 1.075 20 0 BDADHO Cc1cnn(CC[N@@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000336709558 386421236 /nfs/dbraw/zinc/42/12/36/386421236.db2.gz OLWWIDPCEFJAQE-CYBMUJFWSA-N 1 3 236.363 1.075 20 0 BDADHO Cc1cc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000647991320 386422626 /nfs/dbraw/zinc/42/26/26/386422626.db2.gz ZIHIAWJRIIUGAA-LBPRGKRZSA-N 1 3 248.374 1.507 20 0 BDADHO Cc1cc(C2CCN(C[C@H]3CC[NH2+]C3)CC2)[nH]n1 ZINC000647991320 386422634 /nfs/dbraw/zinc/42/26/34/386422634.db2.gz ZIHIAWJRIIUGAA-LBPRGKRZSA-N 1 3 248.374 1.507 20 0 BDADHO CC[C@@H]1C[C@H](C)C[N@@H+]1CCN1CCNCC1 ZINC000399160967 386426898 /nfs/dbraw/zinc/42/68/98/386426898.db2.gz KTZIUJBFMMYFIE-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@@H]1C[C@H](C)C[N@H+]1CCN1CCNCC1 ZINC000399160967 386426904 /nfs/dbraw/zinc/42/69/04/386426904.db2.gz KTZIUJBFMMYFIE-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000347472617 386433196 /nfs/dbraw/zinc/43/31/96/386433196.db2.gz COGDBQHJPJCKGM-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@@H]1CCC[NH2+]C1 ZINC000415044219 386528758 /nfs/dbraw/zinc/52/87/58/386528758.db2.gz BLLZTOIJQRQPJO-UKRRQHHQSA-N 1 3 247.386 1.590 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000415042988 386528819 /nfs/dbraw/zinc/52/88/19/386528819.db2.gz RADUBOQFRVTKTN-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO C[NH+]1CCC(C)(CNCc2cncs2)CC1 ZINC000227328439 386477293 /nfs/dbraw/zinc/47/72/93/386477293.db2.gz BZBHKCHHBMYTIF-UHFFFAOYSA-N 1 3 239.388 1.965 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536169 386480184 /nfs/dbraw/zinc/48/01/84/386480184.db2.gz JBWQCSNDUIPBKT-OLZOCXBDSA-N 1 3 240.391 1.754 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@@H](NCC2(O)CCCC2)C1 ZINC000519536169 386480185 /nfs/dbraw/zinc/48/01/85/386480185.db2.gz JBWQCSNDUIPBKT-OLZOCXBDSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415011106 386485652 /nfs/dbraw/zinc/48/56/52/386485652.db2.gz QDSCNCVDZODPLZ-BDAKNGLRSA-N 1 3 218.304 1.388 20 0 BDADHO [NH3+]CCCCNCc1nccn1-c1ccccc1 ZINC000414913521 386489219 /nfs/dbraw/zinc/48/92/19/386489219.db2.gz WDFTZUTUFRXZCE-UHFFFAOYSA-N 1 3 244.342 1.701 20 0 BDADHO CCC1(CN(C)C2CC([NH3+])C2)CCOCC1 ZINC000414778541 386489886 /nfs/dbraw/zinc/48/98/86/386489886.db2.gz QHZNJNDGUUPTHI-UHFFFAOYSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H](CC1CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044352 386530584 /nfs/dbraw/zinc/53/05/84/386530584.db2.gz UYUCIPWLWUSIOB-FTYKPCCVSA-N 1 3 208.349 1.763 20 0 BDADHO COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000415017054 386502206 /nfs/dbraw/zinc/50/22/06/386502206.db2.gz PGENOUVLSZHOIA-UHIISALHSA-N 1 3 248.370 1.878 20 0 BDADHO CCc1cnc(CN[C@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415042412 386529740 /nfs/dbraw/zinc/52/97/40/386529740.db2.gz QSJZTLATNSEPBO-ZJUUUORDSA-N 1 3 239.388 1.923 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000415016981 386503642 /nfs/dbraw/zinc/50/36/42/386503642.db2.gz OUIOXFHLSWZENS-UWVGGRQHSA-N 1 3 232.331 1.399 20 0 BDADHO COc1cc(C)nc(CN[C@H](C)CCC[NH3+])c1 ZINC000415016532 386504114 /nfs/dbraw/zinc/50/41/14/386504114.db2.gz CQGSFAXQNORNPR-SNVBAGLBSA-N 1 3 237.347 1.616 20 0 BDADHO CC[C@H]1C[C@H](CN2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052064 386508123 /nfs/dbraw/zinc/50/81/23/386508123.db2.gz GYOHNRHRPFXNSI-RNJOBUHISA-N 1 3 226.364 1.613 20 0 BDADHO c1ccc2c(c1)CC[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000415021014 386510859 /nfs/dbraw/zinc/51/08/59/386510859.db2.gz BJRBGPNDDTXDRH-BYNSBNAKSA-N 1 3 228.339 1.351 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447206 386515894 /nfs/dbraw/zinc/51/58/94/386515894.db2.gz ABZQENZPWNNTMM-WDEREUQCSA-N 1 3 222.336 1.277 20 0 BDADHO CC(C)C[C@@H](C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415030192 386518901 /nfs/dbraw/zinc/51/89/01/386518901.db2.gz CFOKNZQYXQERHU-OLZOCXBDSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](CCCC(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415034383 386521237 /nfs/dbraw/zinc/52/12/37/386521237.db2.gz JKMWEJJVIJIJTR-AXTSPUMRSA-N 1 3 236.281 1.915 20 0 BDADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414798279 386584740 /nfs/dbraw/zinc/58/47/40/386584740.db2.gz QBTFJVIPLGVTBW-CHWSQXEVSA-N 1 3 247.342 1.003 20 0 BDADHO OCCC1(C[NH2+]C[C@H]2CCCNC2)CCCC1 ZINC000415079599 386591282 /nfs/dbraw/zinc/59/12/82/386591282.db2.gz ILJWEQOCJLWIKI-ZDUSSCGKSA-N 1 3 240.391 1.518 20 0 BDADHO CC[C@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046041 386532047 /nfs/dbraw/zinc/53/20/47/386532047.db2.gz WQNLPSKLDWUYSD-KBXIAJHMSA-N 1 3 230.355 1.815 20 0 BDADHO CCCC[C@@H](COC)[NH2+]C[C@@H]1CNCCCO1 ZINC000415045157 386532443 /nfs/dbraw/zinc/53/24/43/386532443.db2.gz SPTJHFXFGLEKMW-STQMWFEESA-N 1 3 244.379 1.160 20 0 BDADHO C[C@@H](CC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000415047730 386533781 /nfs/dbraw/zinc/53/37/81/386533781.db2.gz WHIPYOKYZRARMB-CMPLNLGQSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](CC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000415047733 386535582 /nfs/dbraw/zinc/53/55/82/386535582.db2.gz WHIPYOKYZRARMB-ZYHUDNBSSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)CC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414789764 386537938 /nfs/dbraw/zinc/53/79/38/386537938.db2.gz YXMZENIVBNMOCL-CYBMUJFWSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)CC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414789764 386537941 /nfs/dbraw/zinc/53/79/41/386537941.db2.gz YXMZENIVBNMOCL-CYBMUJFWSA-N 1 3 240.391 1.720 20 0 BDADHO C[C@H]1CCCC[C@@H]1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415060937 386540988 /nfs/dbraw/zinc/54/09/88/386540988.db2.gz KKJBGZMUMHPFBV-OBPIAQAESA-N 1 3 208.349 1.620 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@@H](O)C2CCC2)CC1 ZINC000316216856 259689598 /nfs/dbraw/zinc/68/95/98/259689598.db2.gz REAOMSDTIZLWRI-CQSZACIVSA-N 1 3 240.391 1.610 20 0 BDADHO CCCC1CCC(CN(C)C[C@H](O)C[NH3+])CC1 ZINC000415067970 386551968 /nfs/dbraw/zinc/55/19/68/386551968.db2.gz LVZXWHUSCJYTBU-JXQTWKCFSA-N 1 3 242.407 1.844 20 0 BDADHO CCc1ccccc1[C@H](N)CNCC1(C[NH3+])CC1 ZINC000415069417 386552681 /nfs/dbraw/zinc/55/26/81/386552681.db2.gz SNOIPXIXTMGJOV-CQSZACIVSA-N 1 3 247.386 1.577 20 0 BDADHO CC[C@H]([NH2+]C1CCNCC1)[C@@H]1CCCO1 ZINC000415075838 386568947 /nfs/dbraw/zinc/56/89/47/386568947.db2.gz FQMOBQFZUBXMLT-RYUDHWBXSA-N 1 3 212.337 1.286 20 0 BDADHO CC[C@H](NC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415075838 386568952 /nfs/dbraw/zinc/56/89/52/386568952.db2.gz FQMOBQFZUBXMLT-RYUDHWBXSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)([NH3+])CNC[C@H]1CCN(c2ccccc2)C1 ZINC000415082142 386599348 /nfs/dbraw/zinc/59/93/48/386599348.db2.gz LKNHCXOKVSXHBN-CYBMUJFWSA-N 1 3 247.386 1.840 20 0 BDADHO CC(C)[C@@H]([NH3+])CN[C@@H]1CCCSC1 ZINC000414803338 386600101 /nfs/dbraw/zinc/60/01/01/386600101.db2.gz WNDSTHSTOHGRJF-ZJUUUORDSA-N 1 3 202.367 1.455 20 0 BDADHO C(NC1CCC2(CC2)CC1)[C@H]1C[NH2+]CCCO1 ZINC000335488927 386604910 /nfs/dbraw/zinc/60/49/10/386604910.db2.gz SSDUTYXUUGITSZ-CYBMUJFWSA-N 1 3 238.375 1.677 20 0 BDADHO CCC(N)(CC)C[NH2+]CCC(C)(C)C(=O)OC ZINC000414806272 386616139 /nfs/dbraw/zinc/61/61/39/386616139.db2.gz HOEJXIYKUWMUJK-UHFFFAOYSA-N 1 3 244.379 1.683 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@@H](C)Cn1cccn1 ZINC000414807251 386618719 /nfs/dbraw/zinc/61/87/19/386618719.db2.gz CKDNNJVDXLCMQZ-RYUDHWBXSA-N 1 3 224.352 1.379 20 0 BDADHO C[C@H](C[NH3+])NC[C@@H](C)c1ccc(F)cc1 ZINC000414927161 386682886 /nfs/dbraw/zinc/68/28/86/386682886.db2.gz LJUFRBHWBFWJER-NXEZZACHSA-N 1 3 210.296 1.866 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CNCC[C@H]1CCOC1 ZINC000414926795 386673159 /nfs/dbraw/zinc/67/31/59/386673159.db2.gz KYANXPBBAVGBEQ-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CNCC[C@@H]1CCOC1 ZINC000414926793 386673641 /nfs/dbraw/zinc/67/36/41/386673641.db2.gz KYANXPBBAVGBEQ-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000425935358 386680917 /nfs/dbraw/zinc/68/09/17/386680917.db2.gz HVRHJSKCSXIXDQ-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO C[NH2+]CCNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417781646 386715696 /nfs/dbraw/zinc/71/56/96/386715696.db2.gz KGORVZKPDQLYGJ-LBPRGKRZSA-N 1 3 249.358 1.048 20 0 BDADHO c1cnn([C@@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)c1 ZINC000335541663 386723290 /nfs/dbraw/zinc/72/32/90/386723290.db2.gz DRHMKCWRGCAQIP-UONOGXRCSA-N 1 3 248.374 1.708 20 0 BDADHO c1cnn([C@@H]2CCCC[C@@H]2NC2CC[NH2+]CC2)c1 ZINC000335541663 386723296 /nfs/dbraw/zinc/72/32/96/386723296.db2.gz DRHMKCWRGCAQIP-UONOGXRCSA-N 1 3 248.374 1.708 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H]1CCCSC1 ZINC000414840814 386751158 /nfs/dbraw/zinc/75/11/58/386751158.db2.gz NMNPIMOBNFTWSD-ZJUUUORDSA-N 1 3 202.367 1.327 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H]1CCCSC1 ZINC000414840814 386751162 /nfs/dbraw/zinc/75/11/62/386751162.db2.gz NMNPIMOBNFTWSD-ZJUUUORDSA-N 1 3 202.367 1.327 20 0 BDADHO CC[NH2+]CCNC1CCC(OC)CC1 ZINC000414840705 386751707 /nfs/dbraw/zinc/75/17/07/386751707.db2.gz HAYBXMUMBZGWEH-UHFFFAOYSA-N 1 3 200.326 1.143 20 0 BDADHO CC(C)CCOCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166224344 386765059 /nfs/dbraw/zinc/76/50/59/386765059.db2.gz KRSCNJXARALWMJ-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H]([NH2+]CC1=CCN(C)CC1)C(C)C ZINC000336761489 386765801 /nfs/dbraw/zinc/76/58/01/386765801.db2.gz KOIIQQSHFBUTNO-ZDUSSCGKSA-N 1 3 226.364 1.509 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]CC1(N)CCCCC1 ZINC000414839059 386742293 /nfs/dbraw/zinc/74/22/93/386742293.db2.gz IRRPFVLOCCGGHG-LBPRGKRZSA-N 1 3 236.363 1.523 20 0 BDADHO CCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417834258 386792644 /nfs/dbraw/zinc/79/26/44/386792644.db2.gz MRFYRHNFFYQUJY-VXGBXAGGSA-N 1 3 241.379 1.138 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414844449 386771624 /nfs/dbraw/zinc/77/16/24/386771624.db2.gz RJZSDCMHHRVKKB-SWLSCSKDSA-N 1 3 232.371 1.989 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1CCc2ccccc2C1 ZINC000414844449 386771629 /nfs/dbraw/zinc/77/16/29/386771629.db2.gz RJZSDCMHHRVKKB-SWLSCSKDSA-N 1 3 232.371 1.989 20 0 BDADHO CN(CC[NH3+])C(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417836317 386796149 /nfs/dbraw/zinc/79/61/49/386796149.db2.gz LLXNCIPZRIBXNM-GFCCVEGCSA-N 1 3 249.358 1.130 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)CN1CCCC1 ZINC000192485082 386774162 /nfs/dbraw/zinc/77/41/62/386774162.db2.gz OEQSFOGLELNCJZ-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](C)CC1CCOCC1 ZINC000414844976 386787899 /nfs/dbraw/zinc/78/78/99/386787899.db2.gz RZTYCMHGNOIUOJ-NWDGAFQWSA-N 1 3 228.380 1.637 20 0 BDADHO CCc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000647785612 386788830 /nfs/dbraw/zinc/78/88/30/386788830.db2.gz CFSVOVRYCWPIJI-DMDPSCGWSA-N 1 3 249.358 1.715 20 0 BDADHO COC1CCC([NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000414846926 386822046 /nfs/dbraw/zinc/82/20/46/386822046.db2.gz FMBDTUCZTMSXQB-IWMBGFJWSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1ccc(CCCN[C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414935868 386826919 /nfs/dbraw/zinc/82/69/19/386826919.db2.gz UTIKIPYWKOLSDX-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO COC[C@]1(CNCC2CCCCC2)CCC[NH2+]1 ZINC000414936727 386840527 /nfs/dbraw/zinc/84/05/27/386840527.db2.gz CGTKXUGJBDFTCJ-CQSZACIVSA-N 1 3 240.391 1.925 20 0 BDADHO CSCC1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000395485141 386841920 /nfs/dbraw/zinc/84/19/20/386841920.db2.gz XVUWKSSKNVHWAT-MCIGGMRASA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]1CCC[C@@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000334787874 386849317 /nfs/dbraw/zinc/84/93/17/386849317.db2.gz YPSNOVMPDQIKDL-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCC[C@@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000334787874 386849321 /nfs/dbraw/zinc/84/93/21/386849321.db2.gz YPSNOVMPDQIKDL-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H]1OCC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000357851195 386856223 /nfs/dbraw/zinc/85/62/23/386856223.db2.gz NNSXPMXQPHVHAV-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1OCC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357851195 386856227 /nfs/dbraw/zinc/85/62/27/386856227.db2.gz NNSXPMXQPHVHAV-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]CC1(N)CCCCCC1 ZINC000334835860 386875682 /nfs/dbraw/zinc/87/56/82/386875682.db2.gz BIMKXCBROKKOOR-NWDGAFQWSA-N 1 3 226.364 1.805 20 0 BDADHO COC[C@]1(CN[C@@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000414940105 386877290 /nfs/dbraw/zinc/87/72/90/386877290.db2.gz HBCCTIZHRZNGMO-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331870914 386918605 /nfs/dbraw/zinc/91/86/05/386918605.db2.gz BFVIWKSHRCQTFD-WOPDTQHZSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@H](NC1CC[NH2+]CC1)[C@H]1COc2ccccc21 ZINC000334848847 386896249 /nfs/dbraw/zinc/89/62/49/386896249.db2.gz LVDLNYHEIKJFPG-SMDDNHRTSA-N 1 3 246.354 1.893 20 0 BDADHO C[C@H]([NH2+]C1CCNCC1)[C@H]1COc2ccccc21 ZINC000334848847 386896254 /nfs/dbraw/zinc/89/62/54/386896254.db2.gz LVDLNYHEIKJFPG-SMDDNHRTSA-N 1 3 246.354 1.893 20 0 BDADHO C[C@H](O)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331935958 386928677 /nfs/dbraw/zinc/92/86/77/386928677.db2.gz HXRIJSDAIOFMOD-GARJFASQSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@@]1(C[NH2+][C@@H]2CCCSC2)CCCNC1 ZINC000334871906 386933510 /nfs/dbraw/zinc/93/35/10/386933510.db2.gz CBWGPVALGCSEMD-VXGBXAGGSA-N 1 3 228.405 1.861 20 0 BDADHO C[C@@]1(CN[C@@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871906 386933515 /nfs/dbraw/zinc/93/35/15/386933515.db2.gz CBWGPVALGCSEMD-VXGBXAGGSA-N 1 3 228.405 1.861 20 0 BDADHO CC1(C)CCC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000334874444 386934808 /nfs/dbraw/zinc/93/48/08/386934808.db2.gz MJSIMJRSBRFZDX-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC1CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000334873373 386935374 /nfs/dbraw/zinc/93/53/74/386935374.db2.gz ILNMEMQCASTHLN-BPCQOVAHSA-N 1 3 226.364 1.533 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417886013 386936026 /nfs/dbraw/zinc/93/60/26/386936026.db2.gz VKNLISGVEGAXJN-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417886013 386936030 /nfs/dbraw/zinc/93/60/30/386936030.db2.gz VKNLISGVEGAXJN-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(CC)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395167286 386953697 /nfs/dbraw/zinc/95/36/97/386953697.db2.gz UUUSMQXHVWSAOB-OLZOCXBDSA-N 1 3 227.396 1.448 20 0 BDADHO COCC[C@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534991 387050193 /nfs/dbraw/zinc/05/01/93/387050193.db2.gz KXQJBTXWDOJBHO-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](O)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228037042 387062081 /nfs/dbraw/zinc/06/20/81/387062081.db2.gz DHJZECHXPNMWAW-RWMBFGLXSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](O)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228037042 387062086 /nfs/dbraw/zinc/06/20/86/387062086.db2.gz DHJZECHXPNMWAW-RWMBFGLXSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CCCCN1 ZINC000333344068 387028908 /nfs/dbraw/zinc/02/89/08/387028908.db2.gz YTPWISBWASLALW-KGYLQXTDSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCC(F)F)CC[N@@H+]1C ZINC000188744146 387087487 /nfs/dbraw/zinc/08/74/87/387087487.db2.gz RNUAPQAQWMJXAQ-ZJUUUORDSA-N 1 3 236.306 1.340 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCC(F)F)CC[N@H+]1C ZINC000188744146 387087495 /nfs/dbraw/zinc/08/74/95/387087495.db2.gz RNUAPQAQWMJXAQ-ZJUUUORDSA-N 1 3 236.306 1.340 20 0 BDADHO Oc1ccc2c(c1)CN(CC[C@H]1CC[NH2+]C1)CC2 ZINC000334997956 387090982 /nfs/dbraw/zinc/09/09/82/387090982.db2.gz JRFRHPBOKPZDED-GFCCVEGCSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@H](C1C[NH2+]C1)N1CCC[C@@]2(CCSC2)C1 ZINC000335008171 387103559 /nfs/dbraw/zinc/10/35/59/387103559.db2.gz HMLGOALMZFJLDH-DGCLKSJQSA-N 1 3 240.416 1.813 20 0 BDADHO C[C@H](C1CNC1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000335008171 387103560 /nfs/dbraw/zinc/10/35/60/387103560.db2.gz HMLGOALMZFJLDH-DGCLKSJQSA-N 1 3 240.416 1.813 20 0 BDADHO C[C@H](C1CNC1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000335008171 387103563 /nfs/dbraw/zinc/10/35/63/387103563.db2.gz HMLGOALMZFJLDH-DGCLKSJQSA-N 1 3 240.416 1.813 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOC(C)C)[C@@H](C)C1 ZINC000228619271 387112691 /nfs/dbraw/zinc/11/26/91/387112691.db2.gz DUSBSCPYPNTXIF-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOC(C)C)[C@@H](C)C1 ZINC000228619271 387112698 /nfs/dbraw/zinc/11/26/98/387112698.db2.gz DUSBSCPYPNTXIF-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]1[C@H](NCC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423305552 387141633 /nfs/dbraw/zinc/14/16/33/387141633.db2.gz RDNHVXJRWKJIRG-NILFDRSVSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@@H]1[C@H]([NH2+]CC2CNC2)C[C@H]1c1ccccc1 ZINC000423305552 387141637 /nfs/dbraw/zinc/14/16/37/387141637.db2.gz RDNHVXJRWKJIRG-NILFDRSVSA-N 1 3 230.355 1.988 20 0 BDADHO CCC1(CC)[C@@H](NCC2C[NH2+]C2)C[C@@H]1OC ZINC000423306454 387142144 /nfs/dbraw/zinc/14/21/44/387142144.db2.gz TWQYFSXZQKRYHQ-RYUDHWBXSA-N 1 3 226.364 1.389 20 0 BDADHO CCC1(CC)[C@@H]([NH2+]CC2CNC2)C[C@@H]1OC ZINC000423306454 387142149 /nfs/dbraw/zinc/14/21/49/387142149.db2.gz TWQYFSXZQKRYHQ-RYUDHWBXSA-N 1 3 226.364 1.389 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2C[NH2+]C2)C12CCCC2 ZINC000423308072 387144530 /nfs/dbraw/zinc/14/45/30/387144530.db2.gz XGVIZDKWSIWRFT-CHWSQXEVSA-N 1 3 238.375 1.533 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CNC2)C12CCCC2 ZINC000423308072 387144533 /nfs/dbraw/zinc/14/45/33/387144533.db2.gz XGVIZDKWSIWRFT-CHWSQXEVSA-N 1 3 238.375 1.533 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000423309927 387145669 /nfs/dbraw/zinc/14/56/69/387145669.db2.gz MPHOIDWJNFUNLY-DGCLKSJQSA-N 1 3 225.380 1.058 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000459631832 387146059 /nfs/dbraw/zinc/14/60/59/387146059.db2.gz KSEZDVZKHZGETA-XDQVBPFNSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459631832 387146064 /nfs/dbraw/zinc/14/60/64/387146064.db2.gz KSEZDVZKHZGETA-XDQVBPFNSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)C12CCC2 ZINC000423309219 387147290 /nfs/dbraw/zinc/14/72/90/387147290.db2.gz PWGYTUMMMXUOCA-IJLUTSLNSA-N 1 3 226.364 1.519 20 0 BDADHO CCC1(CC)[C@H]([NH2+]C[C@H](C)CN)C[C@@H]1OC ZINC000423312376 387149792 /nfs/dbraw/zinc/14/97/92/387149792.db2.gz UZPKNFUCPQLDKP-UTUOFQBUSA-N 1 3 228.380 1.765 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN ZINC000423312476 387152104 /nfs/dbraw/zinc/15/21/04/387152104.db2.gz VFTQUVKBDAKCFH-SRVKXCTJSA-N 1 3 214.353 1.376 20 0 BDADHO COC[C@H](NC[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314208 387153236 /nfs/dbraw/zinc/15/32/36/387153236.db2.gz GUJXGEHLDCFRTB-STQMWFEESA-N 1 3 226.364 1.519 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C12CCCC2 ZINC000423327528 387170601 /nfs/dbraw/zinc/17/06/01/387170601.db2.gz NJLTZGNLRMHOSQ-GRYCIOLGSA-N 1 3 226.364 1.661 20 0 BDADHO CCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371206380 387171595 /nfs/dbraw/zinc/17/15/95/387171595.db2.gz YKWZUJDMYMDDDV-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371206380 387171599 /nfs/dbraw/zinc/17/15/99/387171599.db2.gz YKWZUJDMYMDDDV-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO CO[C@@H]1C[C@H](NCCC[NH2+]C(C)C)C12CCC2 ZINC000571789131 387171833 /nfs/dbraw/zinc/17/18/33/387171833.db2.gz MXWVSLSONAFXRM-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccncc1 ZINC000423330922 387174760 /nfs/dbraw/zinc/17/47/60/387174760.db2.gz UJZOBTHFBDITPP-STQMWFEESA-N 1 3 219.332 1.860 20 0 BDADHO Cc1ncncc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000571819724 387177096 /nfs/dbraw/zinc/17/70/96/387177096.db2.gz INLPEMMZFZMTSE-NSHDSACASA-N 1 3 246.358 1.698 20 0 BDADHO Cc1ncncc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000571819724 387177098 /nfs/dbraw/zinc/17/70/98/387177098.db2.gz INLPEMMZFZMTSE-NSHDSACASA-N 1 3 246.358 1.698 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])C2CC2)C12CCC2 ZINC000423333079 387178890 /nfs/dbraw/zinc/17/88/90/387178890.db2.gz VJMKPCFTHSFYCA-FRRDWIJNSA-N 1 3 238.375 1.661 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](CC)Cn1cncn1 ZINC000423299985 387132673 /nfs/dbraw/zinc/13/26/73/387132673.db2.gz QRAKFLKCVNZTLX-NWDGAFQWSA-N 1 3 239.367 1.164 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+][C@H]2CCNC2)CCO1 ZINC000571940658 387207204 /nfs/dbraw/zinc/20/72/04/387207204.db2.gz YIGZYLQZMDPUTK-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC1(O)CCC1 ZINC000353486364 387211368 /nfs/dbraw/zinc/21/13/68/387211368.db2.gz XRFYNDYQBXWZPO-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC1(O)CCC1 ZINC000353486364 387211370 /nfs/dbraw/zinc/21/13/70/387211370.db2.gz XRFYNDYQBXWZPO-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC1(O)CCC1 ZINC000353486365 387212824 /nfs/dbraw/zinc/21/28/24/387212824.db2.gz XRFYNDYQBXWZPO-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC1(O)CCC1 ZINC000353486365 387212826 /nfs/dbraw/zinc/21/28/26/387212826.db2.gz XRFYNDYQBXWZPO-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423362872 387216047 /nfs/dbraw/zinc/21/60/47/387216047.db2.gz ILEDWMWURYAKEZ-GZBFAFLISA-N 1 3 247.386 1.586 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423362872 387216053 /nfs/dbraw/zinc/21/60/53/387216053.db2.gz ILEDWMWURYAKEZ-GZBFAFLISA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365931 387217368 /nfs/dbraw/zinc/21/73/68/387217368.db2.gz CFFKMOJDJLFMHK-SFTQSGBHSA-N 1 3 237.391 1.199 20 0 BDADHO CC[C@@H](COC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423366646 387218504 /nfs/dbraw/zinc/21/85/04/387218504.db2.gz BXKGBHYXRMRKMW-AWEZNQCLSA-N 1 3 234.343 1.804 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1(C)C ZINC000423370964 387224372 /nfs/dbraw/zinc/22/43/72/387224372.db2.gz GEDGWHPSLMONSC-NJMOYASZSA-N 1 3 240.391 1.905 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423373022 387225738 /nfs/dbraw/zinc/22/57/38/387225738.db2.gz GTJUDIQJZVEHCS-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH+](C)CCOCCNCc1cccc(O)c1 ZINC000230004939 387226250 /nfs/dbraw/zinc/22/62/50/387226250.db2.gz YTUJCSYWFNAKNI-UHFFFAOYSA-N 1 3 238.331 1.060 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397612 387232118 /nfs/dbraw/zinc/23/21/18/387232118.db2.gz SRLZUOFRNJPFRM-FDYHWXHSSA-N 1 3 238.375 1.532 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423397614 387232648 /nfs/dbraw/zinc/23/26/48/387232648.db2.gz SRLZUOFRNJPFRM-LPWJVIDDSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CN1C1CC1 ZINC000423403614 387239558 /nfs/dbraw/zinc/23/95/58/387239558.db2.gz YQXCHVDGZGMPDU-FMSGJZPZSA-N 1 3 237.391 1.342 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CCCC1 ZINC000423407734 387242847 /nfs/dbraw/zinc/24/28/47/387242847.db2.gz WJAHQVSTQFCRJP-BNOWGMLFSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)C1CCCC1 ZINC000423407734 387242851 /nfs/dbraw/zinc/24/28/51/387242851.db2.gz WJAHQVSTQFCRJP-BNOWGMLFSA-N 1 3 240.391 1.779 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCNC[C@@H]2C)CC1 ZINC000423408586 387246967 /nfs/dbraw/zinc/24/69/67/387246967.db2.gz XRZDOISRDYAFDB-ABXWRUBCSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423348299 387197100 /nfs/dbraw/zinc/19/71/00/387197100.db2.gz SXGDSCZWSVEFRL-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1CCCO1 ZINC000423348299 387197104 /nfs/dbraw/zinc/19/71/04/387197104.db2.gz SXGDSCZWSVEFRL-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1C[C@H]1C ZINC000321915866 387315808 /nfs/dbraw/zinc/31/58/08/387315808.db2.gz QKOULFNNTBUUHT-WOPDTQHZSA-N 1 3 214.353 1.199 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423382809 387265382 /nfs/dbraw/zinc/26/53/82/387265382.db2.gz PDTOFDBIQURVPR-UMSGYPCISA-N 1 3 225.380 1.057 20 0 BDADHO CC[NH2+][C@H](C)CNC1CCC(COC)CC1 ZINC000423387599 387272190 /nfs/dbraw/zinc/27/21/90/387272190.db2.gz MFJNCOHZWODTLW-PNESKVBLSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389125 387273439 /nfs/dbraw/zinc/27/34/39/387273439.db2.gz NIEFRMJOMOYQGK-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432129 387284229 /nfs/dbraw/zinc/28/42/29/387284229.db2.gz QRQZOKPHESTWGB-OLZOCXBDSA-N 1 3 226.364 1.533 20 0 BDADHO CCC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423438049 387288925 /nfs/dbraw/zinc/28/89/25/387288925.db2.gz UWGNRTXQANMGDI-XQHKEYJVSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423480455 387289688 /nfs/dbraw/zinc/28/96/88/387289688.db2.gz VZZNYEZWONBVAB-SDDRHHMPSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000423451106 387300462 /nfs/dbraw/zinc/30/04/62/387300462.db2.gz XUUKQHIIEJZHDC-DDTOSNHZSA-N 1 3 248.374 1.459 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CN1C1CC1 ZINC000643501581 387356865 /nfs/dbraw/zinc/35/68/65/387356865.db2.gz LLYREGGCYPXKEL-AGIUHOORSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H](CN)C2CCCC2)CCN1C ZINC000423532934 387358573 /nfs/dbraw/zinc/35/85/73/387358573.db2.gz SDNCKAHMPLRZGQ-BNOWGMLFSA-N 1 3 239.407 1.576 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423542912 387368186 /nfs/dbraw/zinc/36/81/86/387368186.db2.gz BKUZAMIDBJSDFE-YNEHKIRRSA-N 1 3 225.380 1.058 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1Cc2ccccc21 ZINC000643453506 387369977 /nfs/dbraw/zinc/36/99/77/387369977.db2.gz IWYBRKNWPRUGLL-BNOWGMLFSA-N 1 3 216.328 1.796 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)CCO1 ZINC000423559056 387375970 /nfs/dbraw/zinc/37/59/70/387375970.db2.gz SXSWFJRQXKBDMI-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH+](C)C1CCN(CC2CCOCC2)CC1 ZINC000336554816 387377536 /nfs/dbraw/zinc/37/75/36/387377536.db2.gz WXOYHVJRHDJHTJ-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)(C)[C@@H]1CC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000423491963 387336062 /nfs/dbraw/zinc/33/60/62/387336062.db2.gz KYGAZXUWDFOTIC-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)(C)[C@@H]1CC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000423491964 387336934 /nfs/dbraw/zinc/33/69/34/387336934.db2.gz KYGAZXUWDFOTIC-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@H](C)C1C[NH2+]C1 ZINC000423494894 387338680 /nfs/dbraw/zinc/33/86/80/387338680.db2.gz BFKSTDDLDMPEMD-IAQYHMDHSA-N 1 3 247.386 1.446 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000643466297 387387897 /nfs/dbraw/zinc/38/78/97/387387897.db2.gz XBCYPFRVOFWJAS-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(CO)CCCCC1 ZINC000643466297 387387903 /nfs/dbraw/zinc/38/79/03/387387903.db2.gz XBCYPFRVOFWJAS-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000304292864 387460034 /nfs/dbraw/zinc/46/00/34/387460034.db2.gz DJOBSGKKXWERSM-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000304292864 387460036 /nfs/dbraw/zinc/46/00/36/387460036.db2.gz DJOBSGKKXWERSM-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](N)CC1CCCCC1 ZINC000423676283 387395704 /nfs/dbraw/zinc/39/57/04/387395704.db2.gz IQJFJWCKYYGPSX-JBLDHEPKSA-N 1 3 241.379 1.136 20 0 BDADHO CCC[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000423700725 387400983 /nfs/dbraw/zinc/40/09/83/387400983.db2.gz UQIWAUDJESFQFZ-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO CC1(C)C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000396823014 387495626 /nfs/dbraw/zinc/49/56/26/387495626.db2.gz AHBCUGULRVGCKX-RYUDHWBXSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000396823014 387495631 /nfs/dbraw/zinc/49/56/31/387495631.db2.gz AHBCUGULRVGCKX-RYUDHWBXSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304631504 387497542 /nfs/dbraw/zinc/49/75/42/387497542.db2.gz VNLNKVRYLZYWCN-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@@H](C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304631504 387497544 /nfs/dbraw/zinc/49/75/44/387497544.db2.gz VNLNKVRYLZYWCN-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396846550 387500690 /nfs/dbraw/zinc/50/06/90/387500690.db2.gz HECIXRUTPKRIIL-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396846550 387500692 /nfs/dbraw/zinc/50/06/92/387500692.db2.gz HECIXRUTPKRIIL-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396846550 387500698 /nfs/dbraw/zinc/50/06/98/387500698.db2.gz HECIXRUTPKRIIL-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396875269 387508001 /nfs/dbraw/zinc/50/80/01/387508001.db2.gz IDYSRUKDVUCKCJ-GFCCVEGCSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470993 387477382 /nfs/dbraw/zinc/47/73/82/387477382.db2.gz FNGYGIOXNILQJO-YIYPIFLZSA-N 1 3 240.391 1.515 20 0 BDADHO CCC1(O)CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000643474197 387488290 /nfs/dbraw/zinc/48/82/90/387488290.db2.gz NHMKRRRDZUILEO-AHPWVWPOSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H](Cc1ccoc1)N[C@@H]1CCC[NH2+]CC1 ZINC000643473922 387488829 /nfs/dbraw/zinc/48/88/29/387488829.db2.gz QUSSADBSLSUSRZ-WCQYABFASA-N 1 3 222.332 1.942 20 0 BDADHO Cc1cn[nH]c1CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422561433 387602012 /nfs/dbraw/zinc/60/20/12/387602012.db2.gz LETNTBNWMFHIAI-WCQGTBRESA-N 1 3 236.363 1.523 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422715142 387629224 /nfs/dbraw/zinc/62/92/24/387629224.db2.gz RVUBJJKFDAUQQX-QNWHQSFQSA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422715142 387629228 /nfs/dbraw/zinc/62/92/28/387629228.db2.gz RVUBJJKFDAUQQX-QNWHQSFQSA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@@H](NCCN(C)CC)[C@@H]1CCCC[NH2+]1 ZINC000422716811 387629254 /nfs/dbraw/zinc/62/92/54/387629254.db2.gz NXEXZOUMPJPEIV-OLZOCXBDSA-N 1 3 227.396 1.448 20 0 BDADHO C[C@H](NC[C@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698664 387615341 /nfs/dbraw/zinc/61/53/41/387615341.db2.gz AKHLNVBIHSGBBF-GWCFXTLKSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)C1CNC1 ZINC000422698664 387615345 /nfs/dbraw/zinc/61/53/45/387615345.db2.gz AKHLNVBIHSGBBF-GWCFXTLKSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCN(C)CC(F)(F)F ZINC000422704030 387617466 /nfs/dbraw/zinc/61/74/66/387617466.db2.gz JPFZNAVKJUZTSF-RKDXNWHRSA-N 1 3 241.301 1.196 20 0 BDADHO CCCCN(C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422707202 387620749 /nfs/dbraw/zinc/62/07/49/387620749.db2.gz GSTHYIVRRXRSJG-KBPBESRZSA-N 1 3 241.423 1.696 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000527532816 387623653 /nfs/dbraw/zinc/62/36/53/387623653.db2.gz OZCWZJTUMCEOAS-GRYCIOLGSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CCOCC2CC2)C1 ZINC000430537815 387625154 /nfs/dbraw/zinc/62/51/54/387625154.db2.gz HXSOEDTZCCEANX-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CN(CCN[C@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000430548003 387626815 /nfs/dbraw/zinc/62/68/15/387626815.db2.gz LUTZYNJUBXYTGF-OAHLLOKOSA-N 1 3 247.386 1.840 20 0 BDADHO CN1CC[C@H](C[N@H+](C)C/C=C\c2ccncc2)C1 ZINC000426168151 387546954 /nfs/dbraw/zinc/54/69/54/387546954.db2.gz XYVVEFSUGNBQHN-ABCZVMIZSA-N 1 3 245.370 1.978 20 0 BDADHO CN1CC[C@H](C[N@@H+](C)C/C=C\c2ccncc2)C1 ZINC000426168151 387546955 /nfs/dbraw/zinc/54/69/55/387546955.db2.gz XYVVEFSUGNBQHN-ABCZVMIZSA-N 1 3 245.370 1.978 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422724545 387632594 /nfs/dbraw/zinc/63/25/94/387632594.db2.gz VYQDRJDHWBNTRY-CHWSQXEVSA-N 1 3 236.363 1.299 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422723767 387634268 /nfs/dbraw/zinc/63/42/68/387634268.db2.gz SIYTTXGMMMEFGS-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO CCCCOCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422726192 387635686 /nfs/dbraw/zinc/63/56/86/387635686.db2.gz DJWADCDJRKRCMO-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000422731745 387640834 /nfs/dbraw/zinc/64/08/34/387640834.db2.gz OCMDHKCTLRPCEF-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422733501 387641291 /nfs/dbraw/zinc/64/12/91/387641291.db2.gz QWXZRDBHEMBSDI-BFHYXJOUSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCN1 ZINC000422734762 387642714 /nfs/dbraw/zinc/64/27/14/387642714.db2.gz TZDFVYZHTYLENV-KBPBESRZSA-N 1 3 240.391 1.923 20 0 BDADHO COc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422736409 387643359 /nfs/dbraw/zinc/64/33/59/387643359.db2.gz WCKAGILGUGIYIM-VXGBXAGGSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cc1 ZINC000422736409 387643362 /nfs/dbraw/zinc/64/33/62/387643362.db2.gz WCKAGILGUGIYIM-VXGBXAGGSA-N 1 3 236.359 1.953 20 0 BDADHO Cc1ccccc1OCCCN[C@H](C)C1C[NH2+]C1 ZINC000422738935 387645426 /nfs/dbraw/zinc/64/54/26/387645426.db2.gz KLTOWQPAAIYHIJ-CYBMUJFWSA-N 1 3 248.370 1.961 20 0 BDADHO Cc1ccccc1OCCC[NH2+][C@H](C)C1CNC1 ZINC000422738935 387645430 /nfs/dbraw/zinc/64/54/30/387645430.db2.gz KLTOWQPAAIYHIJ-CYBMUJFWSA-N 1 3 248.370 1.961 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cnccc1N ZINC000422745673 387647894 /nfs/dbraw/zinc/64/78/94/387647894.db2.gz VLKFOADZNOEVLE-VHSXEESVSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@@H](NC[C@H](C)[NH+](C)C)c1cnccc1N ZINC000422745673 387647897 /nfs/dbraw/zinc/64/78/97/387647897.db2.gz VLKFOADZNOEVLE-VHSXEESVSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422747237 387651105 /nfs/dbraw/zinc/65/11/05/387651105.db2.gz YDXHFJXXLXOMHQ-NTZNESFSSA-N 1 3 225.380 1.057 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCn1ccnc1 ZINC000422757788 387661141 /nfs/dbraw/zinc/66/11/41/387661141.db2.gz MYPRTUPMORXVRX-NEPJUHHUSA-N 1 3 222.336 1.133 20 0 BDADHO C[C@@H]1CN(CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000430918483 387661465 /nfs/dbraw/zinc/66/14/65/387661465.db2.gz NEJRHVROUONIPJ-UKRRQHHQSA-N 1 3 247.386 1.792 20 0 BDADHO CC(C)OCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422760286 387663258 /nfs/dbraw/zinc/66/32/58/387663258.db2.gz LSTBEVCNVXFLBY-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](CN[C@H](C)C1C[NH2+]C1)N1CCC(C)CC1 ZINC000422778133 387675364 /nfs/dbraw/zinc/67/53/64/387675364.db2.gz HHOKMELXBBZBNV-CHWSQXEVSA-N 1 3 239.407 1.304 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@@H]1CCOC1 ZINC000422779135 387678136 /nfs/dbraw/zinc/67/81/36/387678136.db2.gz BNARPHNPRRZJLX-SYQHCUMBSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000126503780 387685606 /nfs/dbraw/zinc/68/56/06/387685606.db2.gz VUOFUAHCWHLCLA-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503780 387685610 /nfs/dbraw/zinc/68/56/10/387685610.db2.gz VUOFUAHCWHLCLA-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@H](NC[C@@H](C)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422743538 387689643 /nfs/dbraw/zinc/68/96/43/387689643.db2.gz RQRNQHIFNPKYEI-WOPDTQHZSA-N 1 3 213.369 1.057 20 0 BDADHO CCCCOCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422791450 387693330 /nfs/dbraw/zinc/69/33/30/387693330.db2.gz YMCNWMWNCRLUDN-WDEREUQCSA-N 1 3 202.342 1.519 20 0 BDADHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744856 387693350 /nfs/dbraw/zinc/69/33/50/387693350.db2.gz UGIQLWVHJWFPNH-RISCZKNCSA-N 1 3 234.343 1.267 20 0 BDADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C1CC1 ZINC000422744730 387693985 /nfs/dbraw/zinc/69/39/85/387693985.db2.gz UCECSMOOQJSHIY-ACJTYDJDSA-N 1 3 237.391 1.342 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000643525335 387743911 /nfs/dbraw/zinc/74/39/11/387743911.db2.gz XCNIBFKJNFUTQM-XQHKEYJVSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](NCCN1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862090 387743762 /nfs/dbraw/zinc/74/37/62/387743762.db2.gz NJVMRFHSXYPWOY-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]1CCCN(CCN[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861984 387744804 /nfs/dbraw/zinc/74/48/04/387744804.db2.gz PGOBPEAJEDUIBY-MCIONIFRSA-N 1 3 239.407 1.435 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422876216 387753976 /nfs/dbraw/zinc/75/39/76/387753976.db2.gz FHHXSCIQAKZTKP-STQMWFEESA-N 1 3 227.396 1.576 20 0 BDADHO CCN(CCN[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876910 387754195 /nfs/dbraw/zinc/75/41/95/387754195.db2.gz GRKZTBBYPVUQPH-WDEREUQCSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCC(F)(F)F ZINC000157155455 387754793 /nfs/dbraw/zinc/75/47/93/387754793.db2.gz OLVGMQRJMPQBKO-IUCAKERBSA-N 1 3 224.270 1.869 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCC(F)(F)F ZINC000157155455 387754796 /nfs/dbraw/zinc/75/47/96/387754796.db2.gz OLVGMQRJMPQBKO-IUCAKERBSA-N 1 3 224.270 1.869 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805109 387701903 /nfs/dbraw/zinc/70/19/03/387701903.db2.gz GGMNNLXWUVJLDL-YUTCNCBUSA-N 1 3 248.374 1.564 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)C1CNC1 ZINC000422805109 387701910 /nfs/dbraw/zinc/70/19/10/387701910.db2.gz GGMNNLXWUVJLDL-YUTCNCBUSA-N 1 3 248.374 1.564 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422802271 387703507 /nfs/dbraw/zinc/70/35/07/387703507.db2.gz DFJCNJNQJMAIQQ-HZSPNIEDSA-N 1 3 242.407 1.619 20 0 BDADHO CO[C@H](CN[C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806310 387704096 /nfs/dbraw/zinc/70/40/96/387704096.db2.gz HXZHHNAMTWPABU-GXSJLCMTSA-N 1 3 214.353 1.245 20 0 BDADHO CO[C@H](C[NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000422806310 387704101 /nfs/dbraw/zinc/70/41/01/387704101.db2.gz HXZHHNAMTWPABU-GXSJLCMTSA-N 1 3 214.353 1.245 20 0 BDADHO COCc1ccccc1C[NH2+][C@@H]1CCC[C@H]1N ZINC000422806863 387705439 /nfs/dbraw/zinc/70/54/39/387705439.db2.gz NZNGIQFJAODQNQ-ZIAGYGMSSA-N 1 3 234.343 1.802 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@H](C)C[C@@H](C)N ZINC000422813625 387710499 /nfs/dbraw/zinc/71/04/99/387710499.db2.gz YHCPUBMYVBPSNS-UPJWGTAASA-N 1 3 230.396 1.747 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CC1 ZINC000422816666 387713614 /nfs/dbraw/zinc/71/36/14/387713614.db2.gz FQUQEGRYEHRSOM-SECBINFHSA-N 1 3 219.332 1.909 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@]1(N(C)C)CCSC1 ZINC000422822447 387717462 /nfs/dbraw/zinc/71/74/62/387717462.db2.gz KAQVNFHSLCHDCP-TUAOUCFPSA-N 1 3 245.436 1.139 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000422820265 387717598 /nfs/dbraw/zinc/71/75/98/387717598.db2.gz PSSNENWBHBVAMP-GRYCIOLGSA-N 1 3 228.405 1.860 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422830291 387724131 /nfs/dbraw/zinc/72/41/31/387724131.db2.gz CKFKHSUWXSZXDK-OLZOCXBDSA-N 1 3 236.363 1.441 20 0 BDADHO Cc1nccn1CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422830291 387724133 /nfs/dbraw/zinc/72/41/33/387724133.db2.gz CKFKHSUWXSZXDK-OLZOCXBDSA-N 1 3 236.363 1.441 20 0 BDADHO COC1CCC(C[NH2+][C@H](C)[C@H]2CCCN2)CC1 ZINC000422828865 387724364 /nfs/dbraw/zinc/72/43/64/387724364.db2.gz BNPGYIFEIFDZSP-BLYZHGLHSA-N 1 3 240.391 1.922 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCNc1ccccn1 ZINC000422834675 387725763 /nfs/dbraw/zinc/72/57/63/387725763.db2.gz NWQTUWYGJQQZFH-QWHCGFSZSA-N 1 3 248.374 1.601 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000422850834 387734881 /nfs/dbraw/zinc/73/48/81/387734881.db2.gz OFDPRBHWTTVWKQ-CHWFTXMASA-N 1 3 214.353 1.515 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1(C)C ZINC000422850834 387734885 /nfs/dbraw/zinc/73/48/85/387734885.db2.gz OFDPRBHWTTVWKQ-CHWFTXMASA-N 1 3 214.353 1.515 20 0 BDADHO CO[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852700 387739059 /nfs/dbraw/zinc/73/90/59/387739059.db2.gz RDBQETJDAOUJQK-GJHMDTBVSA-N 1 3 238.375 1.673 20 0 BDADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1n[nH]c2ccccc12 ZINC000643527370 387763269 /nfs/dbraw/zinc/76/32/69/387763269.db2.gz LRMOMODDCXJDJM-MNOVXSKESA-N 1 3 246.358 1.821 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919080 387775830 /nfs/dbraw/zinc/77/58/30/387775830.db2.gz JCVKUIVSMMOBGV-DCAQKATOSA-N 1 3 241.379 1.101 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](C)CCCCO ZINC000643529759 387777834 /nfs/dbraw/zinc/77/78/34/387777834.db2.gz BFJPJZRIACVNIL-WDEREUQCSA-N 1 3 202.342 1.125 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000422925924 387779194 /nfs/dbraw/zinc/77/91/94/387779194.db2.gz BWUJKIULOOOYEQ-SRVKXCTJSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOCC(F)(F)F ZINC000422931558 387781394 /nfs/dbraw/zinc/78/13/94/387781394.db2.gz XUOCWPFABBTSIQ-YUMQZZPRSA-N 1 3 228.258 1.281 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000422903630 387787664 /nfs/dbraw/zinc/78/76/64/387787664.db2.gz OQHBDOKJWHFESR-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCSCCCO ZINC000422979542 387788799 /nfs/dbraw/zinc/78/87/99/387788799.db2.gz MZWDHGJMAMUVJU-NEPJUHHUSA-N 1 3 246.420 1.352 20 0 BDADHO C[C@@H](N[C@@H](C)Cc1ccc(O)cc1)C1C[NH2+]C1 ZINC000422980549 387790756 /nfs/dbraw/zinc/79/07/56/387790756.db2.gz QINNTZBMFTUPEA-WDEREUQCSA-N 1 3 234.343 1.521 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)C1CNC1 ZINC000422980549 387790759 /nfs/dbraw/zinc/79/07/59/387790759.db2.gz QINNTZBMFTUPEA-WDEREUQCSA-N 1 3 234.343 1.521 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCSCCCO ZINC000422979545 387791395 /nfs/dbraw/zinc/79/13/95/387791395.db2.gz MZWDHGJMAMUVJU-VXGBXAGGSA-N 1 3 246.420 1.352 20 0 BDADHO Cc1ccc(CCN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422980077 387792075 /nfs/dbraw/zinc/79/20/75/387792075.db2.gz KRZXTWPFZAIZKY-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccc(CC[NH2+][C@H](C)C2CNC2)cc1 ZINC000422980077 387792079 /nfs/dbraw/zinc/79/20/79/387792079.db2.gz KRZXTWPFZAIZKY-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccc(CCN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422980078 387792486 /nfs/dbraw/zinc/79/24/86/387792486.db2.gz KRZXTWPFZAIZKY-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422980078 387792490 /nfs/dbraw/zinc/79/24/90/387792490.db2.gz KRZXTWPFZAIZKY-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO CC(C)CC[C@](C)(O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422983520 387793245 /nfs/dbraw/zinc/79/32/45/387793245.db2.gz ZTQFHDJPWAXFFP-AVGNSLFASA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(O)cc1 ZINC000422985285 387795088 /nfs/dbraw/zinc/79/50/88/387795088.db2.gz CYPHNEQCSYXBDR-MNOVXSKESA-N 1 3 222.332 1.650 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000422985285 387795092 /nfs/dbraw/zinc/79/50/92/387795092.db2.gz CYPHNEQCSYXBDR-MNOVXSKESA-N 1 3 222.332 1.650 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(O)cc1 ZINC000422985287 387796033 /nfs/dbraw/zinc/79/60/33/387796033.db2.gz CYPHNEQCSYXBDR-WDEREUQCSA-N 1 3 222.332 1.650 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(O)cc1 ZINC000422985287 387796042 /nfs/dbraw/zinc/79/60/42/387796042.db2.gz CYPHNEQCSYXBDR-WDEREUQCSA-N 1 3 222.332 1.650 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000422989717 387797726 /nfs/dbraw/zinc/79/77/26/387797726.db2.gz BGEWDJPQRQCFMH-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000527975239 387813163 /nfs/dbraw/zinc/81/31/63/387813163.db2.gz SKACMEXZNXQANE-MRTXSQPYSA-N 1 3 240.391 1.872 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000527975239 387813166 /nfs/dbraw/zinc/81/31/66/387813166.db2.gz SKACMEXZNXQANE-MRTXSQPYSA-N 1 3 240.391 1.872 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422992079 387800756 /nfs/dbraw/zinc/80/07/56/387800756.db2.gz QQONRAFHMUEMQC-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001242 387804368 /nfs/dbraw/zinc/80/43/68/387804368.db2.gz DIRPBVWDSLQMJO-AAVRWANBSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)C1CNC1 ZINC000423001531 387805822 /nfs/dbraw/zinc/80/58/22/387805822.db2.gz DVHOBCQRAGWRFQ-BXUZGUMPSA-N 1 3 240.391 1.515 20 0 BDADHO CCN(CCN[C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000422882462 387757581 /nfs/dbraw/zinc/75/75/81/387757581.db2.gz SIRKYMFUGKFYFP-AAEUAGOBSA-N 1 3 225.380 1.058 20 0 BDADHO CC(C)N(C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422880425 387757775 /nfs/dbraw/zinc/75/77/75/387757775.db2.gz OBCGODZNFONGFB-MNOVXSKESA-N 1 3 201.358 1.042 20 0 BDADHO COc1cccc2c1CC[C@H](NC[C@H](C)[NH3+])C2 ZINC000643526554 387758331 /nfs/dbraw/zinc/75/83/31/387758331.db2.gz AYOMXTJCIXXEQU-JQWIXIFHSA-N 1 3 234.343 1.489 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C1(CC)CC ZINC000643526635 387758870 /nfs/dbraw/zinc/75/88/70/387758870.db2.gz CQVIHYBTMKDOHI-IJLUTSLNSA-N 1 3 228.380 1.907 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C12CCC2 ZINC000643526969 387760201 /nfs/dbraw/zinc/76/02/01/387760201.db2.gz IAUOIHKNGCPNDX-HBNTYKKESA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887635 387760250 /nfs/dbraw/zinc/76/02/50/387760250.db2.gz LDBZJGHUGZUBTD-QSLWVIQJSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)[C@@H]1CCCN1 ZINC000422887635 387760256 /nfs/dbraw/zinc/76/02/56/387760256.db2.gz LDBZJGHUGZUBTD-QSLWVIQJSA-N 1 3 238.375 1.674 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C12CCC2 ZINC000643526967 387761118 /nfs/dbraw/zinc/76/11/18/387761118.db2.gz IAUOIHKNGCPNDX-GARJFASQSA-N 1 3 212.337 1.271 20 0 BDADHO CCOCCC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000423004024 387826428 /nfs/dbraw/zinc/82/64/28/387826428.db2.gz OCCVVRQQHRAEDR-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO CCC(CC)(CO)CN[C@H]1CCC[C@H]1[NH3+] ZINC000423003232 387827283 /nfs/dbraw/zinc/82/72/83/387827283.db2.gz LDHAIHYEFQKOGK-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO COC[C@@H](N[C@@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005886 387828444 /nfs/dbraw/zinc/82/84/44/387828444.db2.gz NLXKHBJQFBZIOP-CMPLNLGQSA-N 1 3 240.347 1.993 20 0 BDADHO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)CCC[NH3+])[n-]1 ZINC000423009143 387832349 /nfs/dbraw/zinc/83/23/49/387832349.db2.gz CHPFACCDWYEZSM-ZJUUUORDSA-N 1 3 239.367 1.706 20 0 BDADHO CC(C)c1nnc([C@H](C)N[C@H](C)CCC[NH3+])[nH]1 ZINC000423009143 387832352 /nfs/dbraw/zinc/83/23/52/387832352.db2.gz CHPFACCDWYEZSM-ZJUUUORDSA-N 1 3 239.367 1.706 20 0 BDADHO CC[C@H]([NH2+]CCOCCN(C)C)[C@H]1C[C@@H]1C ZINC000322059548 387873498 /nfs/dbraw/zinc/87/34/98/387873498.db2.gz QWEJEBMYHBZSNW-AVGNSLFASA-N 1 3 228.380 1.589 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCSCC(F)(F)F ZINC000423016850 387841461 /nfs/dbraw/zinc/84/14/61/387841461.db2.gz NKFJQKVYIVKMSN-HTQZYQBOSA-N 1 3 242.310 1.751 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000423032368 387848160 /nfs/dbraw/zinc/84/81/60/387848160.db2.gz MHCRAJMVTXDBEE-DCAQKATOSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCCS1 ZINC000423032368 387848165 /nfs/dbraw/zinc/84/81/65/387848165.db2.gz MHCRAJMVTXDBEE-DCAQKATOSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000423032369 387848502 /nfs/dbraw/zinc/84/85/02/387848502.db2.gz MHCRAJMVTXDBEE-GARJFASQSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCCS1 ZINC000423032369 387848506 /nfs/dbraw/zinc/84/85/06/387848506.db2.gz MHCRAJMVTXDBEE-GARJFASQSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423036462 387850739 /nfs/dbraw/zinc/85/07/39/387850739.db2.gz UBNAFXKIAGYCOT-BJDJZHNGSA-N 1 3 214.353 1.124 20 0 BDADHO CCC(CC)(CN[C@@H]1CCC[C@@H]1[NH3+])C(=O)OC ZINC000423038467 387853868 /nfs/dbraw/zinc/85/38/68/387853868.db2.gz OKBJYIHGIQMTBF-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051321 387860395 /nfs/dbraw/zinc/86/03/95/387860395.db2.gz NPDLLDHTEUTLDP-KGYLQXTDSA-N 1 3 240.391 1.776 20 0 BDADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C2CNC2)C1(C)C ZINC000423051321 387860404 /nfs/dbraw/zinc/86/04/04/387860404.db2.gz NPDLLDHTEUTLDP-KGYLQXTDSA-N 1 3 240.391 1.776 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003096 387862175 /nfs/dbraw/zinc/86/21/75/387862175.db2.gz GXMKXSXESSLCGA-FDYHWXHSSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@H](CCO)c1ccco1 ZINC000423055952 387862502 /nfs/dbraw/zinc/86/25/02/387862502.db2.gz XHFYWTOULOTGIC-NWDGAFQWSA-N 1 3 240.347 1.810 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)O ZINC000423064116 387868447 /nfs/dbraw/zinc/86/84/47/387868447.db2.gz QLWBGTGPLRCGTC-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCC(C)(C)O ZINC000423064116 387868451 /nfs/dbraw/zinc/86/84/51/387868451.db2.gz QLWBGTGPLRCGTC-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537041 387871606 /nfs/dbraw/zinc/87/16/06/387871606.db2.gz YISXSUGZUCESOL-WCQYABFASA-N 1 3 248.374 1.603 20 0 BDADHO CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537042 387871756 /nfs/dbraw/zinc/87/17/56/387871756.db2.gz YISXSUGZUCESOL-YPMHNXCESA-N 1 3 248.374 1.603 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527974813 387813782 /nfs/dbraw/zinc/81/37/82/387813782.db2.gz PLNMPGXTBXXCCO-DGAVXFQQSA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527974813 387813784 /nfs/dbraw/zinc/81/37/84/387813784.db2.gz PLNMPGXTBXXCCO-DGAVXFQQSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964884 387813975 /nfs/dbraw/zinc/81/39/75/387813975.db2.gz MYWUHQHYJYPNBQ-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](N)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000442659427 387815349 /nfs/dbraw/zinc/81/53/49/387815349.db2.gz KMUBIIRZYIBXAK-TZMCWYRMSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H](N)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000442659427 387815353 /nfs/dbraw/zinc/81/53/53/387815353.db2.gz KMUBIIRZYIBXAK-TZMCWYRMSA-N 1 3 218.344 1.898 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NC[C@H](O)Cc1ccccc1 ZINC000423103229 387890107 /nfs/dbraw/zinc/89/01/07/387890107.db2.gz FZZJUDFXOWLTGS-RBSFLKMASA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000423103229 387890110 /nfs/dbraw/zinc/89/01/10/387890110.db2.gz FZZJUDFXOWLTGS-RBSFLKMASA-N 1 3 248.370 1.307 20 0 BDADHO C[C@H](NC[C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105566 387891803 /nfs/dbraw/zinc/89/18/03/387891803.db2.gz QULBNGUEXVFMNO-AAEUAGOBSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@H]([NH2+]C[C@@H](CO)CC1CCCC1)C1CNC1 ZINC000423105566 387891808 /nfs/dbraw/zinc/89/18/08/387891808.db2.gz QULBNGUEXVFMNO-AAEUAGOBSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@H]1C ZINC000423109260 387893929 /nfs/dbraw/zinc/89/39/29/387893929.db2.gz URSSJXMGGNYMNO-BJJPWKGXSA-N 1 3 240.391 1.765 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CCC1 ZINC000423113187 387895690 /nfs/dbraw/zinc/89/56/90/387895690.db2.gz KLSDIPFLCAPXIC-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CCOC[C@@H](N[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000423074061 387875306 /nfs/dbraw/zinc/87/53/06/387875306.db2.gz TVGSSFQMPUAVRL-CMPLNLGQSA-N 1 3 214.353 1.245 20 0 BDADHO CCOC[C@@H]([NH2+][C@@H](C)C1CNC1)C(C)C ZINC000423074061 387875311 /nfs/dbraw/zinc/87/53/11/387875311.db2.gz TVGSSFQMPUAVRL-CMPLNLGQSA-N 1 3 214.353 1.245 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423080330 387876089 /nfs/dbraw/zinc/87/60/89/387876089.db2.gz AAHXKGZGNUVVKJ-NNYUYHANSA-N 1 3 240.347 1.045 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000423080330 387876090 /nfs/dbraw/zinc/87/60/90/387876090.db2.gz AAHXKGZGNUVVKJ-NNYUYHANSA-N 1 3 240.347 1.045 20 0 BDADHO C[C@H](NC[C@@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085180 387879062 /nfs/dbraw/zinc/87/90/62/387879062.db2.gz JYAFECFJMMQXIN-AAEUAGOBSA-N 1 3 239.407 1.304 20 0 BDADHO C[C@H](NCC1(CO)CC2(CCC2)C1)C1C[NH2+]C1 ZINC000423087682 387880921 /nfs/dbraw/zinc/88/09/21/387880921.db2.gz OPPPPNYFGYFMBC-NSHDSACASA-N 1 3 238.375 1.127 20 0 BDADHO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)C1CNC1 ZINC000423087682 387880923 /nfs/dbraw/zinc/88/09/23/387880923.db2.gz OPPPPNYFGYFMBC-NSHDSACASA-N 1 3 238.375 1.127 20 0 BDADHO CC[C@H](NC[C@H]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116065 387898509 /nfs/dbraw/zinc/89/85/09/387898509.db2.gz ZKBFSTWKUFASRD-CRWXNKLISA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)[C@@H]1CCCN1 ZINC000423116065 387898510 /nfs/dbraw/zinc/89/85/10/387898510.db2.gz ZKBFSTWKUFASRD-CRWXNKLISA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CC=CCC1 ZINC000423092569 387882783 /nfs/dbraw/zinc/88/27/83/387882783.db2.gz CKECKUNGSWDBOS-UONOGXRCSA-N 1 3 237.391 1.498 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CC=CCC1 ZINC000423092568 387883530 /nfs/dbraw/zinc/88/35/30/387883530.db2.gz CKECKUNGSWDBOS-KGLIPLIRSA-N 1 3 237.391 1.498 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc2c[nH]nc2c1 ZINC000423098511 387886776 /nfs/dbraw/zinc/88/67/76/387886776.db2.gz CYSIRUYQPNAJKG-CHWSQXEVSA-N 1 3 244.342 1.575 20 0 BDADHO CCSCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423102886 387888721 /nfs/dbraw/zinc/88/87/21/387888721.db2.gz AGEMRSLMHZAMBN-GHMZBOCLSA-N 1 3 216.394 1.717 20 0 BDADHO COc1ncccc1CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423141057 387918039 /nfs/dbraw/zinc/91/80/39/387918039.db2.gz NSKDUTSLHDVZPK-AAEUAGOBSA-N 1 3 249.358 1.220 20 0 BDADHO COc1ncccc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000423141704 387918689 /nfs/dbraw/zinc/91/86/89/387918689.db2.gz RJWGSVZTFQWCLO-STQMWFEESA-N 1 3 249.358 1.350 20 0 BDADHO COc1ncccc1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000423141704 387918693 /nfs/dbraw/zinc/91/86/93/387918693.db2.gz RJWGSVZTFQWCLO-STQMWFEESA-N 1 3 249.358 1.350 20 0 BDADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1N ZINC000423115941 387899451 /nfs/dbraw/zinc/89/94/51/387899451.db2.gz ZBXBHQWHMJXBMF-YNEHKIRRSA-N 1 3 225.380 1.330 20 0 BDADHO F[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000423123280 387903480 /nfs/dbraw/zinc/90/34/80/387903480.db2.gz KXPJWHHWZCIBJZ-VWYCJHECSA-N 1 3 200.301 1.609 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCF ZINC000423132120 387909323 /nfs/dbraw/zinc/90/93/23/387909323.db2.gz BORCZYCRWRYQGM-MNOVXSKESA-N 1 3 202.317 1.714 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCC1(F)CCC1 ZINC000423134075 387912738 /nfs/dbraw/zinc/91/27/38/387912738.db2.gz WJCCYZKNHGWJST-VHSXEESVSA-N 1 3 200.301 1.738 20 0 BDADHO CCC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423142698 387919733 /nfs/dbraw/zinc/91/97/33/387919733.db2.gz BFMPDWANDRQTTK-YNEHKIRRSA-N 1 3 228.380 1.779 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)OC ZINC000423142698 387919736 /nfs/dbraw/zinc/91/97/36/387919736.db2.gz BFMPDWANDRQTTK-YNEHKIRRSA-N 1 3 228.380 1.779 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151250 387930326 /nfs/dbraw/zinc/93/03/26/387930326.db2.gz CEZKPZRAOFFUHZ-FVCCEPFGSA-N 1 3 226.364 1.255 20 0 BDADHO Cc1cccnc1CCC[NH2+]C1CCNCC1 ZINC000423152788 387931799 /nfs/dbraw/zinc/93/17/99/387931799.db2.gz MJKMBPIWUSSKJN-UHFFFAOYSA-N 1 3 233.359 1.664 20 0 BDADHO Cc1cccnc1CCCNC1CC[NH2+]CC1 ZINC000423152788 387931804 /nfs/dbraw/zinc/93/18/04/387931804.db2.gz MJKMBPIWUSSKJN-UHFFFAOYSA-N 1 3 233.359 1.664 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H](C)C[C@@H](C)[NH3+] ZINC000423153010 387932086 /nfs/dbraw/zinc/93/20/86/387932086.db2.gz MSKRHXHKTABGAT-GWOFURMSSA-N 1 3 200.326 1.269 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1N)Cc1ccccc1 ZINC000423157268 387936953 /nfs/dbraw/zinc/93/69/53/387936953.db2.gz MJIFIOZBRMPQDZ-KKUMJFAQSA-N 1 3 248.370 1.714 20 0 BDADHO COC[C@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000237239088 387924662 /nfs/dbraw/zinc/92/46/62/387924662.db2.gz QVCIOHIRTQMYTA-LBPRGKRZSA-N 1 3 236.359 1.873 20 0 BDADHO COC[C@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000237239088 387924668 /nfs/dbraw/zinc/92/46/68/387924668.db2.gz QVCIOHIRTQMYTA-LBPRGKRZSA-N 1 3 236.359 1.873 20 0 BDADHO Cc1ncsc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000423148413 387925600 /nfs/dbraw/zinc/92/56/00/387925600.db2.gz FVQCVTYTCKXLNR-DTWKUNHWSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@@H](N[C@@H](C)CCCCO)[C@@H]1CCCC[NH2+]1 ZINC000423149246 387926962 /nfs/dbraw/zinc/92/69/62/387926962.db2.gz AENNAGVZJURPFX-XQQFMLRXSA-N 1 3 228.380 1.658 20 0 BDADHO CCC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423149972 387927270 /nfs/dbraw/zinc/92/72/70/387927270.db2.gz YISPMJALBWWBRW-HNGCFSAESA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1O ZINC000423167034 387952215 /nfs/dbraw/zinc/95/22/15/387952215.db2.gz RUHMOQDRRYRKSS-AAVRWANBSA-N 1 3 240.391 1.800 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423167339 387952580 /nfs/dbraw/zinc/95/25/80/387952580.db2.gz SDWYMJABGNGWHA-QNWHQSFQSA-N 1 3 226.364 1.804 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000423167732 387953141 /nfs/dbraw/zinc/95/31/41/387953141.db2.gz FRRSZBOOCVAUCF-TUAOUCFPSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423168471 387955368 /nfs/dbraw/zinc/95/53/68/387955368.db2.gz XZTCFHUNCSWIKR-DGAVXFQQSA-N 1 3 240.391 1.515 20 0 BDADHO COCC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000423159201 387939185 /nfs/dbraw/zinc/93/91/85/387939185.db2.gz FNHHQINCZBUGCE-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000423159195 387939711 /nfs/dbraw/zinc/93/97/11/387939711.db2.gz FMZTYCOWCVHJIY-USZNOCQGSA-N 1 3 212.337 1.412 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCOC[C@H]1[C@H](C)N ZINC000423160617 387941835 /nfs/dbraw/zinc/94/18/35/387941835.db2.gz ZWXHTINHIVUJIL-PEDHHIEDSA-N 1 3 240.391 1.620 20 0 BDADHO Cc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])nc1 ZINC000423162389 387943074 /nfs/dbraw/zinc/94/30/74/387943074.db2.gz KYWBNHQTKWTRKJ-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)nc1 ZINC000423162389 387943079 /nfs/dbraw/zinc/94/30/79/387943079.db2.gz KYWBNHQTKWTRKJ-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO CC[C@H](NC[C@@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163148 387945520 /nfs/dbraw/zinc/94/55/20/387945520.db2.gz VATZJBUPTDIXQL-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CCCO)[C@@H]1CCCN1 ZINC000423163148 387945525 /nfs/dbraw/zinc/94/55/25/387945525.db2.gz VATZJBUPTDIXQL-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000423162821 387946803 /nfs/dbraw/zinc/94/68/03/387946803.db2.gz QHFWCOJUYPUTIN-ZDEQEGDKSA-N 1 3 226.364 1.125 20 0 BDADHO CC1(C)COC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165799 387947784 /nfs/dbraw/zinc/94/77/84/387947784.db2.gz UXSKDKOUNXTFAE-AYLPWXGPSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@@H](NC[C@@H](C)CCCO)[C@H]1CCCC[NH2+]1 ZINC000423166001 387950518 /nfs/dbraw/zinc/95/05/18/387950518.db2.gz YSWSZXKZAQTCKQ-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO COC1CCC([NH2+][C@@H](C)[C@H]2CCCN2)CC1 ZINC000423172870 387959292 /nfs/dbraw/zinc/95/92/92/387959292.db2.gz VTTYYAPBDITQMH-YWPUVAFDSA-N 1 3 226.364 1.674 20 0 BDADHO COC1CCC([NH2+][C@@H](C)[C@@H]2CCCN2)CC1 ZINC000423172868 387959522 /nfs/dbraw/zinc/95/95/22/387959522.db2.gz VTTYYAPBDITQMH-WTIISPKJSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1ccn(C)n1 ZINC000423172489 387959826 /nfs/dbraw/zinc/95/98/26/387959826.db2.gz TXAFBOUUTMWXFC-VOMCLLRMSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@@H](Cc1coc2ccccc12)NCC[NH3+] ZINC000423186978 387972213 /nfs/dbraw/zinc/97/22/13/387972213.db2.gz OSPAAUHXEDPYGK-JTQLQIEISA-N 1 3 218.300 1.912 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NCC[NH3+] ZINC000423180122 387965173 /nfs/dbraw/zinc/96/51/73/387965173.db2.gz IDYJZWWWKHBYSL-VHSXEESVSA-N 1 3 200.326 1.128 20 0 BDADHO NCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000423180060 387965483 /nfs/dbraw/zinc/96/54/83/387965483.db2.gz DWPXDGJDTGWBLQ-GHMZBOCLSA-N 1 3 202.317 1.843 20 0 BDADHO NCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000423180063 387965779 /nfs/dbraw/zinc/96/57/79/387965779.db2.gz DWPXDGJDTGWBLQ-WDEREUQCSA-N 1 3 202.317 1.843 20 0 BDADHO NCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000423180061 387966074 /nfs/dbraw/zinc/96/60/74/387966074.db2.gz DWPXDGJDTGWBLQ-MNOVXSKESA-N 1 3 202.317 1.843 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCN)C1 ZINC000423182373 387968169 /nfs/dbraw/zinc/96/81/69/387968169.db2.gz LPRQRUWFAPWAPZ-GXTWGEPZSA-N 1 3 233.359 1.370 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NCC[NH3+])C1 ZINC000423182373 387968172 /nfs/dbraw/zinc/96/81/72/387968172.db2.gz LPRQRUWFAPWAPZ-GXTWGEPZSA-N 1 3 233.359 1.370 20 0 BDADHO CCC1(CC)[C@@H]([NH2+]CCCN)C[C@@H]1OC ZINC000423190022 387973002 /nfs/dbraw/zinc/97/30/02/387973002.db2.gz NESLCJZIGLHLHK-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO CCC1(CC)[C@@H](NCCC[NH3+])C[C@@H]1OC ZINC000423190022 387973007 /nfs/dbraw/zinc/97/30/07/387973007.db2.gz NESLCJZIGLHLHK-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO NCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423192593 387977818 /nfs/dbraw/zinc/97/78/18/387977818.db2.gz PTHYANITMKBCLN-FRRDWIJNSA-N 1 3 226.364 1.520 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423202601 387988317 /nfs/dbraw/zinc/98/83/17/387988317.db2.gz BCUPMWWTDATXNN-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000423207737 387993902 /nfs/dbraw/zinc/99/39/02/387993902.db2.gz DJSMQJHWLUEVMV-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH2+]C)C12CCC2 ZINC000423197677 387984734 /nfs/dbraw/zinc/98/47/34/387984734.db2.gz ANWMBBUFCMRWMQ-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)CN1C1CC1 ZINC000424371334 387997468 /nfs/dbraw/zinc/99/74/68/387997468.db2.gz FUPJNEBRRXIZKG-HBJVGIJOSA-N 1 3 237.391 1.471 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371334 387997471 /nfs/dbraw/zinc/99/74/71/387997471.db2.gz FUPJNEBRRXIZKG-HBJVGIJOSA-N 1 3 237.391 1.471 20 0 BDADHO C1CC1[C@H]([NH2+][C@H]1CCNC1)C1CCCC1 ZINC000423213463 387998449 /nfs/dbraw/zinc/99/84/49/387998449.db2.gz LHQJLXAMYMAXEO-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO c1cnn(CCN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420405898 387998740 /nfs/dbraw/zinc/99/87/40/387998740.db2.gz UESZNRORZXTEIS-UONOGXRCSA-N 1 3 248.374 1.347 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424375173 387998822 /nfs/dbraw/zinc/99/88/22/387998822.db2.gz MMZXZBLTMTXJBH-FMKGYKFTSA-N 1 3 237.391 1.329 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C12CCC2 ZINC000423225752 388008427 /nfs/dbraw/zinc/00/84/27/388008427.db2.gz OCGYXMWBMMWAOU-SDDRHHMPSA-N 1 3 226.364 1.661 20 0 BDADHO C[NH2+]CCCN(C)CC[C@@H]1CCCCO1 ZINC000420397654 387996735 /nfs/dbraw/zinc/99/67/35/387996735.db2.gz XSXJJXFCXUFBSG-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO C[C@H](CC(=O)Nc1ccccc1)NCC[C@H](C)[NH3+] ZINC000423241470 388025104 /nfs/dbraw/zinc/02/51/04/388025104.db2.gz XTIUISSYXUOQSW-NWDGAFQWSA-N 1 3 249.358 1.731 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000309671743 388011579 /nfs/dbraw/zinc/01/15/79/388011579.db2.gz WFZZUAOJLDDSHW-OLZOCXBDSA-N 1 3 228.380 1.590 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1NCC[NH2+]C ZINC000423235394 388018326 /nfs/dbraw/zinc/01/83/26/388018326.db2.gz ASCWXEAADCRRSC-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](CN)CC(C)C ZINC000423262766 388040053 /nfs/dbraw/zinc/04/00/53/388040053.db2.gz NKKMVVKNSMHKLY-PWSUYJOCSA-N 1 3 238.379 1.753 20 0 BDADHO c1cc(CNCC2CC[NH+](C3CC3)CC2)n[nH]1 ZINC000446886547 388043720 /nfs/dbraw/zinc/04/37/20/388043720.db2.gz ZYTLCHVMTOFZAN-UHFFFAOYSA-N 1 3 234.347 1.374 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423273366 388052945 /nfs/dbraw/zinc/05/29/45/388052945.db2.gz KLKBNLSEOJITEF-LOWDOPEQSA-N 1 3 240.391 1.763 20 0 BDADHO C[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000083683316 388059128 /nfs/dbraw/zinc/05/91/28/388059128.db2.gz MMJPWRUCOVCUFQ-YUELXQCFSA-N 1 3 230.355 1.941 20 0 BDADHO CC[C@@H](NCC(C)(C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423281480 388063106 /nfs/dbraw/zinc/06/31/06/388063106.db2.gz BJVAUIUXBIIEED-SNVBAGLBSA-N 1 3 242.363 1.435 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](C)C1CCOCC1 ZINC000423284671 388067190 /nfs/dbraw/zinc/06/71/90/388067190.db2.gz YRGKTKIMAMHYRH-WDEREUQCSA-N 1 3 214.353 1.247 20 0 BDADHO CC(C)[C@H](Cn1cccn1)NCC(C)(C)[NH3+] ZINC000423287487 388070856 /nfs/dbraw/zinc/07/08/56/388070856.db2.gz MPQNDEMWGACYOF-NSHDSACASA-N 1 3 224.352 1.235 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423287350 388072091 /nfs/dbraw/zinc/07/20/91/388072091.db2.gz LROFVWNMKASFCE-GMTAPVOTSA-N 1 3 226.364 1.517 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423287786 388073016 /nfs/dbraw/zinc/07/30/16/388073016.db2.gz OOMBPVNZSCXLPL-GHMZBOCLSA-N 1 3 228.380 1.905 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccnc1 ZINC000084215731 388073792 /nfs/dbraw/zinc/07/37/92/388073792.db2.gz CMAJMEOLUJCZDF-STQMWFEESA-N 1 3 219.332 1.689 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000084219915 388074636 /nfs/dbraw/zinc/07/46/36/388074636.db2.gz ABSDZPVOZVRCTE-QWHCGFSZSA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1cccnc1 ZINC000084219915 388074639 /nfs/dbraw/zinc/07/46/39/388074639.db2.gz ABSDZPVOZVRCTE-QWHCGFSZSA-N 1 3 219.332 1.341 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423297773 388080220 /nfs/dbraw/zinc/08/02/20/388080220.db2.gz LUZRTBNYJCMJHA-FRRDWIJNSA-N 1 3 227.396 1.754 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2cccnc2)CC1 ZINC000084691183 388080276 /nfs/dbraw/zinc/08/02/76/388080276.db2.gz LPNPWACMNNKINN-LLVKDONJSA-N 1 3 219.332 1.641 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](O)C1CCC1 ZINC000643493532 388109708 /nfs/dbraw/zinc/10/97/08/388109708.db2.gz VFAPUHXEJKPVCE-JHJVBQTASA-N 1 3 226.364 1.397 20 0 BDADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423268128 388047007 /nfs/dbraw/zinc/04/70/07/388047007.db2.gz GBSBTFYVQLHLBL-RISCZKNCSA-N 1 3 236.359 1.813 20 0 BDADHO COC[C@@H]([NH2+]CCCN1CCCC1)C(C)C ZINC000083399760 388050814 /nfs/dbraw/zinc/05/08/14/388050814.db2.gz MNBPSECKIWKEIN-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@@H](NCCC[NH+]1CCCC1)C(C)C ZINC000083399760 388050818 /nfs/dbraw/zinc/05/08/18/388050818.db2.gz MNBPSECKIWKEIN-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000449084255 388140377 /nfs/dbraw/zinc/14/03/77/388140377.db2.gz XGTCZZIVXQQAOX-ZWNOBZJWSA-N 1 3 247.342 1.200 20 0 BDADHO C[NH+]1CCC2(CC1)CN(CC1CCC1)CCO2 ZINC000646104501 388142981 /nfs/dbraw/zinc/14/29/81/388142981.db2.gz ODRJHYAADHJASI-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379737293 388255623 /nfs/dbraw/zinc/25/56/23/388255623.db2.gz RGYOEHGAZXLFLE-LBPRGKRZSA-N 1 3 224.348 1.311 20 0 BDADHO C[C@H]1[C@H](CO)CCN1CCC[NH+]1CCCCC1 ZINC000488750516 388193821 /nfs/dbraw/zinc/19/38/21/388193821.db2.gz UMCUWDLYZCPCGF-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489480025 388217169 /nfs/dbraw/zinc/21/71/69/388217169.db2.gz PADGRNAUSWYYDK-CABZTGNLSA-N 1 3 235.331 1.772 20 0 BDADHO CC(C)[C@@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000489523984 388220664 /nfs/dbraw/zinc/22/06/64/388220664.db2.gz PECSYPZHBJECTM-LLVKDONJSA-N 1 3 241.379 1.138 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449649051 388248322 /nfs/dbraw/zinc/24/83/22/388248322.db2.gz RLWCDRMTGAQQPF-WOPDTQHZSA-N 1 3 241.379 1.138 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000451568692 388282199 /nfs/dbraw/zinc/28/21/99/388282199.db2.gz NYSOUUOTGZKZGV-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000451568692 388282200 /nfs/dbraw/zinc/28/22/00/388282200.db2.gz NYSOUUOTGZKZGV-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CCSCCN1CC[C@](C)(C[NH3+])C1 ZINC000233827816 388349454 /nfs/dbraw/zinc/34/94/54/388349454.db2.gz XNRHNGDQYYTIDH-SNVBAGLBSA-N 1 3 202.367 1.410 20 0 BDADHO CCSCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000233827816 388349457 /nfs/dbraw/zinc/34/94/57/388349457.db2.gz XNRHNGDQYYTIDH-SNVBAGLBSA-N 1 3 202.367 1.410 20 0 BDADHO CCSCC[N@H+]1CC[C@](C)(CN)C1 ZINC000233827816 388349458 /nfs/dbraw/zinc/34/94/58/388349458.db2.gz XNRHNGDQYYTIDH-SNVBAGLBSA-N 1 3 202.367 1.410 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCN1C(C)C ZINC000572760945 388374196 /nfs/dbraw/zinc/37/41/96/388374196.db2.gz KMEVKWBCBXRJOK-NEPJUHHUSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236691146 388382228 /nfs/dbraw/zinc/38/22/28/388382228.db2.gz UZRZHTTYYIYDDD-NWDGAFQWSA-N 1 3 243.395 1.336 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646579307 388388259 /nfs/dbraw/zinc/38/82/59/388388259.db2.gz VJLXGFDZDKCIDW-RKDXNWHRSA-N 1 3 221.304 1.067 20 0 BDADHO C[C@H](CC(C)(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000397555766 388478343 /nfs/dbraw/zinc/47/83/43/388478343.db2.gz LTIADVLXJICNSE-GFCCVEGCSA-N 1 3 242.407 1.857 20 0 BDADHO Cc1cnccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000296603794 388425103 /nfs/dbraw/zinc/42/51/03/388425103.db2.gz YRRBMDDBZCTCNG-ZDUSSCGKSA-N 1 3 245.370 1.964 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1C[C@H](O)C1(C)C ZINC000166363655 388426165 /nfs/dbraw/zinc/42/61/65/388426165.db2.gz BKOLJGLGUGIYEB-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000166363655 388426167 /nfs/dbraw/zinc/42/61/67/388426167.db2.gz BKOLJGLGUGIYEB-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H](NCCCC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000393425031 388429873 /nfs/dbraw/zinc/42/98/73/388429873.db2.gz LMMAULJKZPHUJN-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO Cc1cc(CCN[C@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000573197675 388430738 /nfs/dbraw/zinc/43/07/38/388430738.db2.gz SEBFXEPYONPLHE-YPMHNXCESA-N 1 3 237.347 1.633 20 0 BDADHO Cc1cc(CC[NH2+][C@H]2CCCC[C@@H]2CN)on1 ZINC000573197675 388430740 /nfs/dbraw/zinc/43/07/40/388430740.db2.gz SEBFXEPYONPLHE-YPMHNXCESA-N 1 3 237.347 1.633 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000322335343 388432447 /nfs/dbraw/zinc/43/24/47/388432447.db2.gz QCAQVOJFKNFEQM-NTZNESFSSA-N 1 3 208.349 1.882 20 0 BDADHO C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000397677114 388489240 /nfs/dbraw/zinc/48/92/40/388489240.db2.gz QSESBEREOPLHAC-IEECTRCBSA-N 1 3 208.349 1.905 20 0 BDADHO CCCn1cc(CNCC2=CC[N@H+](C)CC2)cn1 ZINC000345179937 388510966 /nfs/dbraw/zinc/51/09/66/388510966.db2.gz WYLSEMFAWZTEON-UHFFFAOYSA-N 1 3 248.374 1.645 20 0 BDADHO CCCn1cc(CNCC2=CC[N@@H+](C)CC2)cn1 ZINC000345179937 388510969 /nfs/dbraw/zinc/51/09/69/388510969.db2.gz WYLSEMFAWZTEON-UHFFFAOYSA-N 1 3 248.374 1.645 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000220681922 388606624 /nfs/dbraw/zinc/60/66/24/388606624.db2.gz LKFFZVZPRBUNGK-CMPLNLGQSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@@H]1CN(CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631842925 388610778 /nfs/dbraw/zinc/61/07/78/388610778.db2.gz HMBYCCJLCRYWGS-CHWSQXEVSA-N 1 3 234.343 1.592 20 0 BDADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)C(F)F ZINC000520878341 388557022 /nfs/dbraw/zinc/55/70/22/388557022.db2.gz VVLIUSPRXBZMAL-NSHDSACASA-N 1 3 248.317 1.076 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767327 388669291 /nfs/dbraw/zinc/66/92/91/388669291.db2.gz SUIYHDNQDAJEAX-IGQOVBAYSA-N 1 3 238.375 1.243 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767327 388669293 /nfs/dbraw/zinc/66/92/93/388669293.db2.gz SUIYHDNQDAJEAX-IGQOVBAYSA-N 1 3 238.375 1.243 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C)C2)CCN1C ZINC000247982335 388671381 /nfs/dbraw/zinc/67/13/81/388671381.db2.gz INDOTURNRCUUBV-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccns2)C1 ZINC000630076364 388619373 /nfs/dbraw/zinc/61/93/73/388619373.db2.gz LNDZGVKVQHCQEE-AOOOYVTPSA-N 1 3 225.361 1.573 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)C1CNC1 ZINC000530208645 388626095 /nfs/dbraw/zinc/62/60/95/388626095.db2.gz GKCNQYGIVZEYAG-MNOVXSKESA-N 1 3 212.337 1.001 20 0 BDADHO COCCC1CCN([C@@H](C)C2C[NH2+]C2)CC1 ZINC000530212539 388628205 /nfs/dbraw/zinc/62/82/05/388628205.db2.gz QSJVWBJYPHNPRE-NSHDSACASA-N 1 3 226.364 1.343 20 0 BDADHO COCCC1CC[NH+]([C@@H](C)C2CNC2)CC1 ZINC000530212539 388628207 /nfs/dbraw/zinc/62/82/07/388628207.db2.gz QSJVWBJYPHNPRE-NSHDSACASA-N 1 3 226.364 1.343 20 0 BDADHO C(C[C@@H]1CCCOC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530213701 388629440 /nfs/dbraw/zinc/62/94/40/388629440.db2.gz VJJJXXXCCPXNCD-ICIURTGMSA-N 1 3 238.375 1.676 20 0 BDADHO Cn1cc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc2n1 ZINC000530217124 388630426 /nfs/dbraw/zinc/63/04/26/388630426.db2.gz FWEVMKVSBCNCNM-OLZOCXBDSA-N 1 3 244.342 1.543 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2cn(C)nc2c1 ZINC000530219011 388631410 /nfs/dbraw/zinc/63/14/10/388631410.db2.gz OOKKEVLGDAJSLE-GHMZBOCLSA-N 1 3 246.358 1.789 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccncc1 ZINC000530218688 388631801 /nfs/dbraw/zinc/63/18/01/388631801.db2.gz GRSSDLBHNFOFBG-MNOVXSKESA-N 1 3 219.332 1.383 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)c1ccncc1 ZINC000530218688 388631802 /nfs/dbraw/zinc/63/18/02/388631802.db2.gz GRSSDLBHNFOFBG-MNOVXSKESA-N 1 3 219.332 1.383 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCOC1 ZINC000530223519 388633622 /nfs/dbraw/zinc/63/36/22/388633622.db2.gz SQUOGZFMKWBKKA-QJPTWQEYSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227189 388635317 /nfs/dbraw/zinc/63/53/17/388635317.db2.gz VORLBKQRRTVZDV-LEHDDDOWSA-N 1 3 238.375 1.671 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000247075129 388659079 /nfs/dbraw/zinc/65/90/79/388659079.db2.gz QJLZJUBUBXQEIY-MJBXVCDLSA-N 1 3 241.423 1.789 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCOC2)[C@@H](C)C1 ZINC000247269760 388661892 /nfs/dbraw/zinc/66/18/92/388661892.db2.gz ZXVVOTLLGNNSHJ-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2CCOC2)[C@@H](C)C1 ZINC000247269760 388661893 /nfs/dbraw/zinc/66/18/93/388661893.db2.gz ZXVVOTLLGNNSHJ-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000224410813 388663848 /nfs/dbraw/zinc/66/38/48/388663848.db2.gz QCHXHZYLZIVIHD-KBPBESRZSA-N 1 3 241.423 1.791 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000250670746 388739651 /nfs/dbraw/zinc/73/96/51/388739651.db2.gz UOKXTECDFQDTFZ-AXFHLTTASA-N 1 3 214.378 1.599 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCCC2)CCN1C ZINC000128217797 388740648 /nfs/dbraw/zinc/74/06/48/388740648.db2.gz YUVQGINIXMYXRM-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[C@H](NCCN2CCCCC2)CC[N@@H+]1C ZINC000128217797 388740651 /nfs/dbraw/zinc/74/06/51/388740651.db2.gz YUVQGINIXMYXRM-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[C@H](NCCN2CCCCC2)CC[N@H+]1C ZINC000128217797 388740652 /nfs/dbraw/zinc/74/06/52/388740652.db2.gz YUVQGINIXMYXRM-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2Cc3ccccc3O2)C1 ZINC000250843694 388740991 /nfs/dbraw/zinc/74/09/91/388740991.db2.gz HDFITYVMLGNJQM-HZSPNIEDSA-N 1 3 246.354 1.850 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCc2cccc(CO)c2)C1 ZINC000227454451 388751072 /nfs/dbraw/zinc/75/10/72/388751072.db2.gz IDCHZVLGQNBJRM-UONOGXRCSA-N 1 3 234.343 1.538 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2ccc(F)cc21 ZINC000423294005 388691672 /nfs/dbraw/zinc/69/16/72/388691672.db2.gz AXQWSNLWIGRMBR-TVQRCGJNSA-N 1 3 222.307 1.997 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248982415 388702431 /nfs/dbraw/zinc/70/24/31/388702431.db2.gz FWENTQYXOJLASG-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248982415 388702432 /nfs/dbraw/zinc/70/24/32/388702432.db2.gz FWENTQYXOJLASG-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@H](C)OC)[C@@H](C)C1 ZINC000249088219 388708523 /nfs/dbraw/zinc/70/85/23/388708523.db2.gz MVYMPXPVNGPWEO-SRVKXCTJSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@H](C)OC)[C@@H](C)C1 ZINC000249088219 388708526 /nfs/dbraw/zinc/70/85/26/388708526.db2.gz MVYMPXPVNGPWEO-SRVKXCTJSA-N 1 3 214.353 1.341 20 0 BDADHO CCSCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422330 388718729 /nfs/dbraw/zinc/71/87/29/388718729.db2.gz AKWSTVFHFIXRPW-VHSXEESVSA-N 1 3 202.367 1.409 20 0 BDADHO Cc1nc(CC[NH2+]CC(C)(C)N)cs1 ZINC000226466949 388719551 /nfs/dbraw/zinc/71/95/51/388719551.db2.gz QOIADPFKAPNYNL-UHFFFAOYSA-N 1 3 213.350 1.321 20 0 BDADHO FC(F)OCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000194036766 388721674 /nfs/dbraw/zinc/72/16/74/388721674.db2.gz YKICSOKLRNBIDQ-WDEREUQCSA-N 1 3 248.317 1.832 20 0 BDADHO FC(F)OCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000194036766 388721676 /nfs/dbraw/zinc/72/16/76/388721676.db2.gz YKICSOKLRNBIDQ-WDEREUQCSA-N 1 3 248.317 1.832 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000249499552 388723745 /nfs/dbraw/zinc/72/37/45/388723745.db2.gz HIODOOAIRIBOFF-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000249499552 388723746 /nfs/dbraw/zinc/72/37/46/388723746.db2.gz HIODOOAIRIBOFF-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CC[C@H](C)C[NH2+]CCOCCN(C)C ZINC000230005093 388809486 /nfs/dbraw/zinc/80/94/86/388809486.db2.gz SNISLUNOISTKEU-NSHDSACASA-N 1 3 202.342 1.200 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000228063149 388766729 /nfs/dbraw/zinc/76/67/29/388766729.db2.gz LVCASHZEYSNZAZ-RWMBFGLXSA-N 1 3 228.380 1.730 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000228063149 388766733 /nfs/dbraw/zinc/76/67/33/388766733.db2.gz LVCASHZEYSNZAZ-RWMBFGLXSA-N 1 3 228.380 1.730 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCC(F)(F)F ZINC000252713147 388773578 /nfs/dbraw/zinc/77/35/78/388773578.db2.gz OLVGMQRJMPQBKO-DTWKUNHWSA-N 1 3 224.270 1.869 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCC(F)(F)F ZINC000252713147 388773581 /nfs/dbraw/zinc/77/35/81/388773581.db2.gz OLVGMQRJMPQBKO-DTWKUNHWSA-N 1 3 224.270 1.869 20 0 BDADHO CC[C@@H](C)C[NH+](CCN(C)C)CCN(C)C ZINC000554875870 388835037 /nfs/dbraw/zinc/83/50/37/388835037.db2.gz VPLOFSUSDYDLBR-CYBMUJFWSA-N 1 3 229.412 1.458 20 0 BDADHO C[C@H]([NH3+])CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000193324694 388849744 /nfs/dbraw/zinc/84/97/44/388849744.db2.gz YYIYAIZPDRTDNI-JTQLQIEISA-N 1 3 247.342 1.033 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000566088189 388986811 /nfs/dbraw/zinc/98/68/11/388986811.db2.gz BXSGZLRJYNETCZ-GRYCIOLGSA-N 1 3 214.353 1.530 20 0 BDADHO CC[NH+]1CCC(N[C@@H]2C[C@H]2C(F)F)CC1 ZINC000348145061 136039355 /nfs/dbraw/zinc/03/93/55/136039355.db2.gz CCUWWCMNLHUCGN-NXEZZACHSA-N 1 3 218.291 1.714 20 0 BDADHO C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCCC1 ZINC000334832966 533372518 /nfs/dbraw/zinc/37/25/18/533372518.db2.gz JVMIXNZRJBJUID-ITGUQSILSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H](NCCN1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400720066 533394942 /nfs/dbraw/zinc/39/49/42/533394942.db2.gz OGDBREQXZZXCSF-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000400377116 533500131 /nfs/dbraw/zinc/50/01/31/533500131.db2.gz IYKRVJPYXIVNFM-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942954 134018408 /nfs/dbraw/zinc/01/84/08/134018408.db2.gz UQJHZRCLMFYFMM-QPPOZKHWSA-N 1 3 240.391 1.752 20 0 BDADHO C(C1CCN([C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000336180256 134119426 /nfs/dbraw/zinc/11/94/26/134119426.db2.gz YZUMCBFXIFMAOI-AWEZNQCLSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H](N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000168742593 134247684 /nfs/dbraw/zinc/24/76/84/134247684.db2.gz OWYPUDMGSIIUPJ-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536477 134248312 /nfs/dbraw/zinc/24/83/12/134248312.db2.gz YUYHNMXRYUNXOX-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000169235106 134250115 /nfs/dbraw/zinc/25/01/15/134250115.db2.gz DTQVZKCLGPXXKM-JIMOISOXSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1ccco1 ZINC000219311946 134281486 /nfs/dbraw/zinc/28/14/86/134281486.db2.gz RMNZNDLHIVRTSD-LLVKDONJSA-N 1 3 226.320 1.508 20 0 BDADHO COc1cc(CN[C@H](C)CC[NH3+])ccc1C ZINC000220491856 134305192 /nfs/dbraw/zinc/30/51/92/134305192.db2.gz JBJBJVSRBKQVTG-LLVKDONJSA-N 1 3 222.332 1.831 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000222912886 134336203 /nfs/dbraw/zinc/33/62/03/134336203.db2.gz IPQUNRKRTJEZPF-UPJWGTAASA-N 1 3 239.407 1.541 20 0 BDADHO C[C@H]1C[C@@H](NCCOCC2CC2)CC[N@@H+]1C ZINC000223378315 134338827 /nfs/dbraw/zinc/33/88/27/134338827.db2.gz RUOHJBQAFPCMPA-AAEUAGOBSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@@H](NCCOCC2CC2)CC[N@H+]1C ZINC000223378315 134338828 /nfs/dbraw/zinc/33/88/28/134338828.db2.gz RUOHJBQAFPCMPA-AAEUAGOBSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H](CC(=O)OC(C)(C)C)NCCC[NH+](C)C ZINC000183664523 134355342 /nfs/dbraw/zinc/35/53/42/134355342.db2.gz AVRXTTKFLNRMBF-NSHDSACASA-N 1 3 244.379 1.648 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCO1 ZINC000227911236 134399205 /nfs/dbraw/zinc/39/92/05/134399205.db2.gz WJQADPZNLFFCHD-CRWXNKLISA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCO1 ZINC000227911236 134399206 /nfs/dbraw/zinc/39/92/06/134399206.db2.gz WJQADPZNLFFCHD-CRWXNKLISA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000227921486 134399678 /nfs/dbraw/zinc/39/96/78/134399678.db2.gz PCRZBOLIOBUEMB-RYUDHWBXSA-N 1 3 228.380 1.502 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCSCCCO ZINC000230785091 135022186 /nfs/dbraw/zinc/02/21/86/135022186.db2.gz HTACQTAEHOLOJE-NEPJUHHUSA-N 1 3 246.420 1.209 20 0 BDADHO CC[C@@H](C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052759 135030886 /nfs/dbraw/zinc/03/08/86/135030886.db2.gz XUXIEZKAWCCLOE-JWURUJNWSA-N 1 3 240.391 1.608 20 0 BDADHO CC[C@@H](C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052759 135030888 /nfs/dbraw/zinc/03/08/88/135030888.db2.gz XUXIEZKAWCCLOE-JWURUJNWSA-N 1 3 240.391 1.608 20 0 BDADHO CCCCOCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249848595 135046492 /nfs/dbraw/zinc/04/64/92/135046492.db2.gz IDMIUYIQHQEQPD-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250245267 135050237 /nfs/dbraw/zinc/05/02/37/135050237.db2.gz HWLYQCBYACABFC-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251226525 135066134 /nfs/dbraw/zinc/06/61/34/135066134.db2.gz PIRXISANJDUUPT-GRYCIOLGSA-N 1 3 214.353 1.112 20 0 BDADHO C[C@H](CCO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251243112 135067410 /nfs/dbraw/zinc/06/74/10/135067410.db2.gz SMIMYGBSKZNCEU-FRRDWIJNSA-N 1 3 228.380 1.658 20 0 BDADHO CCSCC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000252691196 135096978 /nfs/dbraw/zinc/09/69/78/135096978.db2.gz XGXNPNJTYKMUJU-QWRGUYRKSA-N 1 3 216.394 1.941 20 0 BDADHO CCSCC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000252691196 135096979 /nfs/dbraw/zinc/09/69/79/135096979.db2.gz XGXNPNJTYKMUJU-QWRGUYRKSA-N 1 3 216.394 1.941 20 0 BDADHO C[C@@H]1CN(C)CCN1CC[C@H]1CCC[NH2+]C1 ZINC000257772794 135100315 /nfs/dbraw/zinc/10/03/15/135100315.db2.gz DOALNLRSWXMMOR-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252759514 135107707 /nfs/dbraw/zinc/10/77/07/135107707.db2.gz LLHPGXSPCFPGKC-RVMXOQNASA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252759514 135107709 /nfs/dbraw/zinc/10/77/09/135107709.db2.gz LLHPGXSPCFPGKC-RVMXOQNASA-N 1 3 226.364 1.362 20 0 BDADHO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261575985 135110314 /nfs/dbraw/zinc/11/03/14/135110314.db2.gz NMHLMKPMEAHNDD-CFVMTHIKSA-N 1 3 246.354 1.864 20 0 BDADHO C[C@@H](N)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000261570102 135110400 /nfs/dbraw/zinc/11/04/00/135110400.db2.gz GQCHSTGFNBPLIN-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H](N)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000261570102 135110402 /nfs/dbraw/zinc/11/04/02/135110402.db2.gz GQCHSTGFNBPLIN-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO CCOCCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252790140 135110523 /nfs/dbraw/zinc/11/05/23/135110523.db2.gz YOEJPNQXGVUCCV-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)CCOCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253250405 135125581 /nfs/dbraw/zinc/12/55/81/135125581.db2.gz VWJQNUIRWKETFM-UONOGXRCSA-N 1 3 242.407 1.966 20 0 BDADHO C([C@@H]1CCSC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257644440 135137795 /nfs/dbraw/zinc/13/77/95/135137795.db2.gz BTVWAHQUGVFTNI-QWHCGFSZSA-N 1 3 240.416 1.815 20 0 BDADHO C([C@@H]1CCSC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257644440 135137796 /nfs/dbraw/zinc/13/77/96/135137796.db2.gz BTVWAHQUGVFTNI-QWHCGFSZSA-N 1 3 240.416 1.815 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257713852 135140615 /nfs/dbraw/zinc/14/06/15/135140615.db2.gz UGRRRVTWYZXGQE-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257713852 135140617 /nfs/dbraw/zinc/14/06/17/135140617.db2.gz UGRRRVTWYZXGQE-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@H]1N ZINC000261529553 135155937 /nfs/dbraw/zinc/15/59/37/135155937.db2.gz TWBHURMPEJXOKN-GMTAPVOTSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@H]1N ZINC000261529553 135155938 /nfs/dbraw/zinc/15/59/38/135155938.db2.gz TWBHURMPEJXOKN-GMTAPVOTSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000261529553 135155940 /nfs/dbraw/zinc/15/59/40/135155940.db2.gz TWBHURMPEJXOKN-GMTAPVOTSA-N 1 3 214.378 1.409 20 0 BDADHO c1csc(CCNC[C@@H]2CCC[NH2+]C2)c1 ZINC000087646049 135161218 /nfs/dbraw/zinc/16/12/18/135161218.db2.gz VPISYGLHZLRPNY-LLVKDONJSA-N 1 3 224.373 1.880 20 0 BDADHO c1csc(CC[NH2+]C[C@@H]2CCCNC2)c1 ZINC000087646049 135161220 /nfs/dbraw/zinc/16/12/20/135161220.db2.gz VPISYGLHZLRPNY-LLVKDONJSA-N 1 3 224.373 1.880 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1CCC[NH2+]C1 ZINC000087647336 135161304 /nfs/dbraw/zinc/16/13/04/135161304.db2.gz OJJMUJLZDZGFOM-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@@H]1CCCNC1 ZINC000087647336 135161305 /nfs/dbraw/zinc/16/13/05/135161305.db2.gz OJJMUJLZDZGFOM-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000261532441 135162392 /nfs/dbraw/zinc/16/23/92/135162392.db2.gz BMEWYWSUQLJXTR-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CN(C[C@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261534656 135167925 /nfs/dbraw/zinc/16/79/25/135167925.db2.gz SKYPPNSZABBOCH-FKJOKYEKSA-N 1 3 240.416 1.954 20 0 BDADHO CC1(CN2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000261535664 135170304 /nfs/dbraw/zinc/17/03/04/135170304.db2.gz OYYUQVNZQXIDMZ-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO Cc1ccccc1C[N@H+]1CC[C@H](N)[C@H]1C ZINC000261536395 135172416 /nfs/dbraw/zinc/17/24/16/135172416.db2.gz ROLNNQWVQFDLHN-YPMHNXCESA-N 1 3 204.317 1.917 20 0 BDADHO Cc1ccccc1C[N@@H+]1CC[C@H](N)[C@H]1C ZINC000261536395 135172418 /nfs/dbraw/zinc/17/24/18/135172418.db2.gz ROLNNQWVQFDLHN-YPMHNXCESA-N 1 3 204.317 1.917 20 0 BDADHO CCC1(C[N@@H+]2CC[C@H](N)[C@@H](C)C2)CCOCC1 ZINC000261553255 135192788 /nfs/dbraw/zinc/19/27/88/135192788.db2.gz NRAOLTIZDGRUQR-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@H](N)[C@@H](C)C2)CCOCC1 ZINC000261553255 135192790 /nfs/dbraw/zinc/19/27/90/135192790.db2.gz NRAOLTIZDGRUQR-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(CN2CC[C@H]([NH3+])[C@@H](C)C2)CCOCC1 ZINC000261553255 135192792 /nfs/dbraw/zinc/19/27/92/135192792.db2.gz NRAOLTIZDGRUQR-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216843 135192837 /nfs/dbraw/zinc/19/28/37/135192837.db2.gz UYEUDUSAUCFYEM-TUAOUCFPSA-N 1 3 212.337 1.273 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000084217633 135193322 /nfs/dbraw/zinc/19/33/22/135193322.db2.gz MJWVYQZVSVNYLY-UONOGXRCSA-N 1 3 218.344 1.946 20 0 BDADHO C[C@H]1CC(C)(C)C[C@](CO)(NCC[NH3+])C1 ZINC000261554511 135194605 /nfs/dbraw/zinc/19/46/05/135194605.db2.gz UIFOQNCPMACZLK-CMPLNLGQSA-N 1 3 214.353 1.112 20 0 BDADHO CCc1ccc(CN(C)CCOCC[NH3+])cc1 ZINC000261563377 135205358 /nfs/dbraw/zinc/20/53/58/135205358.db2.gz WZRKGTZNHWWAMW-UHFFFAOYSA-N 1 3 236.359 1.656 20 0 BDADHO C[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000084385595 135217858 /nfs/dbraw/zinc/21/78/58/135217858.db2.gz LRWULZNGZSAONH-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1ncsc1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000084386000 135218380 /nfs/dbraw/zinc/21/83/80/135218380.db2.gz XFYQNYVSHXKOSQ-LLVKDONJSA-N 1 3 239.388 1.883 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261591083 135231718 /nfs/dbraw/zinc/23/17/18/135231718.db2.gz UYGCTBQJFWYTSU-NDBYEHHHSA-N 1 3 226.364 1.519 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261545982 135238652 /nfs/dbraw/zinc/23/86/52/135238652.db2.gz GNJOYDMIZFXODE-MJBXVCDLSA-N 1 3 231.343 1.559 20 0 BDADHO CN(Cc1cccc(N)c1)CC(C)(C)C[NH3+] ZINC000261620883 135244437 /nfs/dbraw/zinc/24/44/37/135244437.db2.gz CECOLLLCVPEJJX-UHFFFAOYSA-N 1 3 221.348 1.686 20 0 BDADHO C[N@H+](Cc1cccc(N)c1)CC(C)(C)CN ZINC000261620883 135244438 /nfs/dbraw/zinc/24/44/38/135244438.db2.gz CECOLLLCVPEJJX-UHFFFAOYSA-N 1 3 221.348 1.686 20 0 BDADHO C[N@@H+](Cc1cccc(N)c1)CC(C)(C)CN ZINC000261620883 135244439 /nfs/dbraw/zinc/24/44/39/135244439.db2.gz CECOLLLCVPEJJX-UHFFFAOYSA-N 1 3 221.348 1.686 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261710729 135247534 /nfs/dbraw/zinc/24/75/34/135247534.db2.gz PMMUIMISVRYBDY-YPMHNXCESA-N 1 3 233.359 1.828 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261710726 135247594 /nfs/dbraw/zinc/24/75/94/135247594.db2.gz PMMUIMISVRYBDY-AAEUAGOBSA-N 1 3 233.359 1.828 20 0 BDADHO Cc1noc(C)c1CNC[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000261728457 135248416 /nfs/dbraw/zinc/24/84/16/135248416.db2.gz NZYUNJSRWRWYMM-JOYOIKCWSA-N 1 3 237.347 1.769 20 0 BDADHO CC[N@H+](CC[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261782115 135252735 /nfs/dbraw/zinc/25/27/35/135252735.db2.gz FLQVKWLWDABNJI-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261782115 135252737 /nfs/dbraw/zinc/25/27/37/135252737.db2.gz FLQVKWLWDABNJI-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CCC[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261811344 135254427 /nfs/dbraw/zinc/25/44/27/135254427.db2.gz HRIHHOKRPPIRET-KBPBESRZSA-N 1 3 240.391 1.613 20 0 BDADHO CCC[C@@]1(CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261811344 135254428 /nfs/dbraw/zinc/25/44/28/135254428.db2.gz HRIHHOKRPPIRET-KBPBESRZSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000262046564 135275781 /nfs/dbraw/zinc/27/57/81/135275781.db2.gz YZBGGKAOJAXBEZ-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000262046564 135275782 /nfs/dbraw/zinc/27/57/82/135275782.db2.gz YZBGGKAOJAXBEZ-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CCOC[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044553 135275982 /nfs/dbraw/zinc/27/59/82/135275982.db2.gz PNRVUJZZESORPO-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO c1ccc2c(c1)C[C@H](N[C@H]1CCC[NH2+]CC1)CO2 ZINC000262252892 135287884 /nfs/dbraw/zinc/28/78/84/135287884.db2.gz QEWARIQDFROCFE-KBPBESRZSA-N 1 3 246.354 1.722 20 0 BDADHO c1ccc2c(c1)C[C@@H](N[C@H]1CCC[NH2+]CC1)CO2 ZINC000262252896 135288343 /nfs/dbraw/zinc/28/83/43/135288343.db2.gz QEWARIQDFROCFE-UONOGXRCSA-N 1 3 246.354 1.722 20 0 BDADHO CCc1ccc([C@@H]2CNCCN2CC[NH3+])cc1 ZINC000262311622 135292215 /nfs/dbraw/zinc/29/22/15/135292215.db2.gz ZBKYXYXOCBMZJI-AWEZNQCLSA-N 1 3 233.359 1.154 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC[C@H]1CCCO1 ZINC000342607393 135302805 /nfs/dbraw/zinc/30/28/05/135302805.db2.gz RWAMHLBMILFIKC-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC[C@H]1CCCO1 ZINC000342607393 135302807 /nfs/dbraw/zinc/30/28/07/135302807.db2.gz RWAMHLBMILFIKC-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000262718087 135315825 /nfs/dbraw/zinc/31/58/25/135315825.db2.gz WZJKEBFEAOFQHO-DGCLKSJQSA-N 1 3 243.395 1.350 20 0 BDADHO C[NH+](C)CC1CCN(CCc2ccccn2)CC1 ZINC000343115992 135357850 /nfs/dbraw/zinc/35/78/50/135357850.db2.gz DASSGUFQCCMBDB-UHFFFAOYSA-N 1 3 247.386 1.898 20 0 BDADHO C[C@@H]1COCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000334370661 135375095 /nfs/dbraw/zinc/37/50/95/135375095.db2.gz PANMSGXEJFWNRP-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1COCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000334370661 135375096 /nfs/dbraw/zinc/37/50/96/135375096.db2.gz PANMSGXEJFWNRP-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@H](N)CC(C)C)CC[C@H]1C ZINC000299919808 135381600 /nfs/dbraw/zinc/38/16/00/135381600.db2.gz XEHDDTCYRCLPHF-JHJVBQTASA-N 1 3 228.380 1.717 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@H](N)CC(C)C)CC[C@H]1C ZINC000299919808 135381601 /nfs/dbraw/zinc/38/16/01/135381601.db2.gz XEHDDTCYRCLPHF-JHJVBQTASA-N 1 3 228.380 1.717 20 0 BDADHO CSC1(CN2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000347863885 136016576 /nfs/dbraw/zinc/01/65/76/136016576.db2.gz LFGGXDMBSALHNW-LLVKDONJSA-N 1 3 228.405 1.766 20 0 BDADHO CN1CC[C@]2(CC[N@H+](C[C@H]3CCCN3C)C2)C1 ZINC000649617652 398000407 /nfs/dbraw/zinc/00/04/07/398000407.db2.gz RYQLYYFEVCIZNT-KGLIPLIRSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](C[C@H]3CCCN3C)C2)C1 ZINC000649617652 398000408 /nfs/dbraw/zinc/00/04/08/398000408.db2.gz RYQLYYFEVCIZNT-KGLIPLIRSA-N 1 3 237.391 1.108 20 0 BDADHO CCCN(CC(=O)OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414676560 398014521 /nfs/dbraw/zinc/01/45/21/398014521.db2.gz VGXBZNLFJXOUME-NWDGAFQWSA-N 1 3 242.363 1.260 20 0 BDADHO Cc1ccc(CCCNC[C@H]([NH3+])C(C)C)cn1 ZINC000414792155 398038716 /nfs/dbraw/zinc/03/87/16/398038716.db2.gz IVGHJBCCJQKXSK-AWEZNQCLSA-N 1 3 235.375 1.896 20 0 BDADHO CC(C)[C@H]([NH3+])CNC1Cc2ccccc2C1 ZINC000414792115 398039029 /nfs/dbraw/zinc/03/90/29/398039029.db2.gz IQBRHZICJCMWFH-CQSZACIVSA-N 1 3 218.344 1.727 20 0 BDADHO CCC[C@H](C[NH2+]CC1=CCN(C)CC1)OC ZINC000392292266 398049947 /nfs/dbraw/zinc/04/99/47/398049947.db2.gz MURSIYPYJNOBIG-CYBMUJFWSA-N 1 3 226.364 1.653 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414871106 398077355 /nfs/dbraw/zinc/07/73/55/398077355.db2.gz CXEVEJXCWVDWFD-RNCFNFMXSA-N 1 3 238.762 1.992 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000414871106 398077357 /nfs/dbraw/zinc/07/73/57/398077357.db2.gz CXEVEJXCWVDWFD-RNCFNFMXSA-N 1 3 238.762 1.992 20 0 BDADHO FC1(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000556952763 398058743 /nfs/dbraw/zinc/05/87/43/398058743.db2.gz PAWICOBVFBUNFY-WDEREUQCSA-N 1 3 212.312 1.466 20 0 BDADHO CO[C@@H](C)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322737756 398111288 /nfs/dbraw/zinc/11/12/88/398111288.db2.gz VXVREWIVHOAPEN-PBYDBYKOSA-N 1 3 226.364 1.625 20 0 BDADHO CO[C@@H](C)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322737756 398111290 /nfs/dbraw/zinc/11/12/90/398111290.db2.gz VXVREWIVHOAPEN-PBYDBYKOSA-N 1 3 226.364 1.625 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000515054253 398131891 /nfs/dbraw/zinc/13/18/91/398131891.db2.gz DJSTWEFYYGQLPZ-AGIUHOORSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)[C@H](C)O)C1 ZINC000515054253 398131894 /nfs/dbraw/zinc/13/18/94/398131894.db2.gz DJSTWEFYYGQLPZ-AGIUHOORSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)[C@H](C)O)C1 ZINC000515054253 398131897 /nfs/dbraw/zinc/13/18/97/398131897.db2.gz DJSTWEFYYGQLPZ-AGIUHOORSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000228332346 167044123 /nfs/dbraw/zinc/04/41/23/167044123.db2.gz IEDZLQPEHCUIGZ-NWDGAFQWSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000228332346 167044127 /nfs/dbraw/zinc/04/41/27/167044127.db2.gz IEDZLQPEHCUIGZ-NWDGAFQWSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)OC[C@H](C)NCCC[NH+](C)C ZINC000308647873 167263253 /nfs/dbraw/zinc/26/32/53/167263253.db2.gz IOUBAIABUAKLOP-NSHDSACASA-N 1 3 202.342 1.341 20 0 BDADHO [NH3+]CCCNCc1ccccc1-n1cccn1 ZINC000135296432 487589577 /nfs/dbraw/zinc/58/95/77/487589577.db2.gz CQBVABNXXSTHSK-UHFFFAOYSA-N 1 3 230.315 1.311 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CS1 ZINC000086934489 487590654 /nfs/dbraw/zinc/59/06/54/487590654.db2.gz CMIGOCZCIOJUEZ-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@H]1C[C@@H](NCCC[NH+]2CCCC2)CS1 ZINC000086934489 487590660 /nfs/dbraw/zinc/59/06/60/487590660.db2.gz CMIGOCZCIOJUEZ-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@@H](OC)C2CCCC2)C1 ZINC000662244138 409534889 /nfs/dbraw/zinc/53/48/89/409534889.db2.gz CRKCLSGTRUXEJG-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@H](OC)C2CCCC2)C1 ZINC000662244137 409535716 /nfs/dbraw/zinc/53/57/16/409535716.db2.gz CRKCLSGTRUXEJG-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH+](C)CCC[C@@H]1CN(CC2CCC2)CCO1 ZINC000662318904 409637378 /nfs/dbraw/zinc/63/73/78/409637378.db2.gz ARPUVEORNFXOMX-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@@](C)(CN)C1)C1CCCC1 ZINC000662274788 409585449 /nfs/dbraw/zinc/58/54/49/409585449.db2.gz ZYDZMYHFHSWXJS-KBPBESRZSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@@](C)(CN)C1)C1CCCC1 ZINC000662274788 409585453 /nfs/dbraw/zinc/58/54/53/409585453.db2.gz ZYDZMYHFHSWXJS-KBPBESRZSA-N 1 3 240.391 1.862 20 0 BDADHO C1=CCC(CN2CCC3(CC[NH2+]3)CC2)C1 ZINC000662284341 409615158 /nfs/dbraw/zinc/61/51/58/409615158.db2.gz VGSXFEUWAKMHKL-UHFFFAOYSA-N 1 3 206.333 1.781 20 0 BDADHO CCN1CCC[N@H+](C[C@H]2CCCN2C)[C@H](C)C1 ZINC000660790036 409748768 /nfs/dbraw/zinc/74/87/68/409748768.db2.gz TYIATRZBMVTPFJ-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCC[N@@H+](C[C@H]2CCCN2C)[C@H](C)C1 ZINC000660790036 409748776 /nfs/dbraw/zinc/74/87/76/409748776.db2.gz TYIATRZBMVTPFJ-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662818843 409931961 /nfs/dbraw/zinc/93/19/61/409931961.db2.gz BFGOTCWGSAASSF-UWVGGRQHSA-N 1 3 247.342 1.145 20 0 BDADHO CC[NH+]1CCC(NCCOCCF)CC1 ZINC000663462944 410257720 /nfs/dbraw/zinc/25/77/20/410257720.db2.gz ITBZTRUHIWADFR-UHFFFAOYSA-N 1 3 218.316 1.046 20 0 BDADHO [NH3+]CC1(CN[C@H]2CNc3ccccc3C2)CC1 ZINC000650715366 410349984 /nfs/dbraw/zinc/34/99/84/410349984.db2.gz ZPKAHBQCZGEXAB-GFCCVEGCSA-N 1 3 231.343 1.352 20 0 BDADHO NCC1(C[NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000650715366 410349991 /nfs/dbraw/zinc/34/99/91/410349991.db2.gz ZPKAHBQCZGEXAB-GFCCVEGCSA-N 1 3 231.343 1.352 20 0 BDADHO [NH3+]CC1(CN[C@@H]2CNc3ccccc3C2)CC1 ZINC000650715367 410351883 /nfs/dbraw/zinc/35/18/83/410351883.db2.gz ZPKAHBQCZGEXAB-LBPRGKRZSA-N 1 3 231.343 1.352 20 0 BDADHO NCC1(C[NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000650715367 410351890 /nfs/dbraw/zinc/35/18/90/410351890.db2.gz ZPKAHBQCZGEXAB-LBPRGKRZSA-N 1 3 231.343 1.352 20 0 BDADHO Cc1cn[nH]c1CNCc1ccc(C[NH3+])cc1F ZINC000650716997 410354898 /nfs/dbraw/zinc/35/48/98/410354898.db2.gz PBJSKLLIHBCVDQ-UHFFFAOYSA-N 1 3 248.305 1.606 20 0 BDADHO CN1CCN(CCC[NH3+])[C@@H](Cc2ccccc2)C1 ZINC000650720523 410358503 /nfs/dbraw/zinc/35/85/03/410358503.db2.gz RUWNZOGNAOHECB-HNNXBMFYSA-N 1 3 247.386 1.194 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1cscn1 ZINC000650745143 410382301 /nfs/dbraw/zinc/38/23/01/410382301.db2.gz ADULGEZWAZIGLL-SECBINFHSA-N 1 3 225.361 1.923 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CNc2ccccc2C1 ZINC000650748122 410387816 /nfs/dbraw/zinc/38/78/16/410387816.db2.gz NMWYUQGGODIFNW-GZBFAFLISA-N 1 3 245.370 1.740 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650748122 410387820 /nfs/dbraw/zinc/38/78/20/410387820.db2.gz NMWYUQGGODIFNW-GZBFAFLISA-N 1 3 245.370 1.740 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)COCC1CC1 ZINC000650761318 410409129 /nfs/dbraw/zinc/40/91/29/410409129.db2.gz XLUVTHMQOLXDLD-DCAQKATOSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H](NCCC1CC[NH2+]CC1)c1nccn1C ZINC000650763308 410413762 /nfs/dbraw/zinc/41/37/62/410413762.db2.gz XLJUDOCMEXIJPY-LLVKDONJSA-N 1 3 236.363 1.460 20 0 BDADHO CCN(CC)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000236842434 169765990 /nfs/dbraw/zinc/76/59/90/169765990.db2.gz PFDXRPNLWSMZLR-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(N)c1 ZINC000665232939 410723950 /nfs/dbraw/zinc/72/39/50/410723950.db2.gz YBINCJXNKAFNAZ-LEWSCRJBSA-N 1 3 249.358 1.111 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000665230706 410724836 /nfs/dbraw/zinc/72/48/36/410724836.db2.gz UIAVCGMRKBAYDT-KPFVRQRISA-N 1 3 226.364 1.519 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000665230709 410725025 /nfs/dbraw/zinc/72/50/25/410725025.db2.gz UIAVCGMRKBAYDT-PYNQCMFNSA-N 1 3 226.364 1.519 20 0 BDADHO C([NH2+][C@@H]1CCC12CCC2)C12CC(C1)CN2 ZINC000665279617 410754935 /nfs/dbraw/zinc/75/49/35/410754935.db2.gz HHJIJTVWIBBDCX-QWKFWESOSA-N 1 3 206.333 1.661 20 0 BDADHO CC(C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000119631003 167094747 /nfs/dbraw/zinc/09/47/47/167094747.db2.gz HWHVTWSENYGXPR-UHFFFAOYSA-N 1 3 213.369 1.010 20 0 BDADHO CC(C)[C@@H](CCO)[NH2+]CC[C@H]1CCCN1C ZINC000336677710 167390706 /nfs/dbraw/zinc/39/07/06/167390706.db2.gz QGYAWMPBCJDWMX-CHWSQXEVSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000300055751 411077681 /nfs/dbraw/zinc/07/76/81/411077681.db2.gz JHGIPCPNOWNJRB-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](C[C@@H]1CCCNC1)[C@H]1CCCOC1 ZINC000300055751 411077686 /nfs/dbraw/zinc/07/76/86/411077686.db2.gz JHGIPCPNOWNJRB-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCCOC1 ZINC000300055751 411077690 /nfs/dbraw/zinc/07/76/90/411077690.db2.gz JHGIPCPNOWNJRB-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659989134 411159404 /nfs/dbraw/zinc/15/94/04/411159404.db2.gz CLRYRCGZAIGBMW-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659989134 411159408 /nfs/dbraw/zinc/15/94/08/411159408.db2.gz CLRYRCGZAIGBMW-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO COC1([C@H](C)[NH2+]CC2=CCN(C)CC2)CCC1 ZINC000657936566 411173377 /nfs/dbraw/zinc/17/33/77/411173377.db2.gz GHIOLEIZOSNUPP-LBPRGKRZSA-N 1 3 238.375 1.796 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCn3ccnc3C2)C1 ZINC000656197952 411203213 /nfs/dbraw/zinc/20/32/13/411203213.db2.gz FFYHBOYIOIHERD-WOPDTQHZSA-N 1 3 234.347 1.057 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198083 411203449 /nfs/dbraw/zinc/20/34/49/411203449.db2.gz HHMMVJJYTWILRE-LSDHHAIUSA-N 1 3 248.370 1.581 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(CO)cc2)C1 ZINC000656198083 411203451 /nfs/dbraw/zinc/20/34/51/411203451.db2.gz HHMMVJJYTWILRE-LSDHHAIUSA-N 1 3 248.370 1.581 20 0 BDADHO COCC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000656200018 411204012 /nfs/dbraw/zinc/20/40/12/411204012.db2.gz IJVHIZPPNUNCQR-GHMZBOCLSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@@H](CC(C)(C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000656202153 411205920 /nfs/dbraw/zinc/20/59/20/411205920.db2.gz ZEHQTELIFROALT-CMPLNLGQSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C1CNC1 ZINC000656202153 411205923 /nfs/dbraw/zinc/20/59/23/411205923.db2.gz ZEHQTELIFROALT-CMPLNLGQSA-N 1 3 228.380 1.635 20 0 BDADHO CNC[C@](C)(O)C[N@H+](C)CCC(C)(C)C ZINC000652341671 411206477 /nfs/dbraw/zinc/20/64/77/411206477.db2.gz FYOBFTKKOKWMBX-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@@H+](C)CCC(C)(C)C ZINC000652341671 411206479 /nfs/dbraw/zinc/20/64/79/411206479.db2.gz FYOBFTKKOKWMBX-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO C[NH2+]C[C@](C)(O)CN(C)CCC(C)(C)C ZINC000652341671 411206480 /nfs/dbraw/zinc/20/64/80/411206480.db2.gz FYOBFTKKOKWMBX-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000656201796 411207346 /nfs/dbraw/zinc/20/73/46/411207346.db2.gz ZMYCYASFKWLMQQ-UWVGGRQHSA-N 1 3 200.326 1.128 20 0 BDADHO O[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652353374 411212563 /nfs/dbraw/zinc/21/25/63/411212563.db2.gz CCIBNAOLZMNWIO-HNNXBMFYSA-N 1 3 246.354 1.289 20 0 BDADHO CC(C)C[C@H](N)C[NH2+]Cc1cccc(N)c1 ZINC000656785097 411354269 /nfs/dbraw/zinc/35/42/69/411354269.db2.gz LHEKWYVZIJEZMY-ZDUSSCGKSA-N 1 3 221.348 1.732 20 0 BDADHO C[C@@H](C[NH2+]C1CCNCC1)c1ccccn1 ZINC000656783323 411360101 /nfs/dbraw/zinc/36/01/01/411360101.db2.gz PCXGRKYGAOLKAH-NSHDSACASA-N 1 3 219.332 1.527 20 0 BDADHO C[C@@H](CNC1CC[NH2+]CC1)c1ccccn1 ZINC000656783323 411360104 /nfs/dbraw/zinc/36/01/04/411360104.db2.gz PCXGRKYGAOLKAH-NSHDSACASA-N 1 3 219.332 1.527 20 0 BDADHO Nc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656786015 411364366 /nfs/dbraw/zinc/36/43/66/411364366.db2.gz SWSZYEHRYWABKJ-QWHCGFSZSA-N 1 3 219.332 1.628 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1C[C@@H]1CCCCO1 ZINC000216164688 411345297 /nfs/dbraw/zinc/34/52/97/411345297.db2.gz HLSTXJOTOCQHAY-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000216164688 411345300 /nfs/dbraw/zinc/34/53/00/411345300.db2.gz HLSTXJOTOCQHAY-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCCCO1 ZINC000216164688 411345302 /nfs/dbraw/zinc/34/53/02/411345302.db2.gz HLSTXJOTOCQHAY-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125484007 411377101 /nfs/dbraw/zinc/37/71/01/411377101.db2.gz ZMTOCHQXWOPZSZ-QWHCGFSZSA-N 1 3 240.391 1.646 20 0 BDADHO CO[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927430 411384036 /nfs/dbraw/zinc/38/40/36/411384036.db2.gz QKIRUHTVPFPIDK-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000414707562 411440231 /nfs/dbraw/zinc/44/02/31/411440231.db2.gz IAVBJZRVQBKPPF-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000414707562 411440236 /nfs/dbraw/zinc/44/02/36/411440236.db2.gz IAVBJZRVQBKPPF-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000657285433 411444962 /nfs/dbraw/zinc/44/49/62/411444962.db2.gz FPRXKFMTBRFMPY-NWDGAFQWSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H]1C[C@@H](NCCC[NH+](C)C)CO1 ZINC000657287738 411446658 /nfs/dbraw/zinc/44/66/58/411446658.db2.gz ULFCVOJICMKKPX-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO CCOc1cccc(CNCC[C@H]2CC[NH2+]C2)n1 ZINC000414838207 411450605 /nfs/dbraw/zinc/45/06/05/411450605.db2.gz VDVRDXFHTFTJBY-GFCCVEGCSA-N 1 3 249.358 1.570 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](C(C)C)C2)CO1 ZINC000657334984 411472202 /nfs/dbraw/zinc/47/22/02/411472202.db2.gz JDZPFCJIZNZQTQ-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](C(C)C)C2)CO1 ZINC000657334984 411472204 /nfs/dbraw/zinc/47/22/04/411472204.db2.gz JDZPFCJIZNZQTQ-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)CO1 ZINC000657334984 411472206 /nfs/dbraw/zinc/47/22/06/411472206.db2.gz JDZPFCJIZNZQTQ-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO C(CC1CCC1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659850491 411476505 /nfs/dbraw/zinc/47/65/05/411476505.db2.gz QSBKQFUPCICRCJ-STQMWFEESA-N 1 3 208.349 1.718 20 0 BDADHO CC[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000657427392 411504151 /nfs/dbraw/zinc/50/41/51/411504151.db2.gz MXPKQVXYEYEVGF-OLZOCXBDSA-N 1 3 224.348 1.405 20 0 BDADHO COC[C@H](CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000659983457 411518250 /nfs/dbraw/zinc/51/82/50/411518250.db2.gz MOPOQBXOORGKFO-AVGNSLFASA-N 1 3 244.379 1.062 20 0 BDADHO COC[C@H](CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000659983457 411518253 /nfs/dbraw/zinc/51/82/53/411518253.db2.gz MOPOQBXOORGKFO-AVGNSLFASA-N 1 3 244.379 1.062 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nccn1C ZINC000655806134 411520295 /nfs/dbraw/zinc/52/02/95/411520295.db2.gz ZVNSFBJGUCWQMB-UTUOFQBUSA-N 1 3 236.363 1.411 20 0 BDADHO CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371299443 170004262 /nfs/dbraw/zinc/00/42/62/170004262.db2.gz HAWMDVSBFFVRPD-GRYCIOLGSA-N 1 3 212.337 1.190 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000120281468 170016033 /nfs/dbraw/zinc/01/60/33/170016033.db2.gz SLDVMTLEWAVPDO-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCO[C@@H]2C)C1 ZINC000120281468 170016034 /nfs/dbraw/zinc/01/60/34/170016034.db2.gz SLDVMTLEWAVPDO-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCO[C@@H]2C)C1 ZINC000120281468 170016036 /nfs/dbraw/zinc/01/60/36/170016036.db2.gz SLDVMTLEWAVPDO-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO CCN1CC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000085590813 170016569 /nfs/dbraw/zinc/01/65/69/170016569.db2.gz UORDSATTXYUXBQ-CYBMUJFWSA-N 1 3 221.348 1.457 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@]2(C)CCCO2)C1 ZINC000340189019 170016572 /nfs/dbraw/zinc/01/65/72/170016572.db2.gz SIGVGVBEZJMWOJ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328440713 170016677 /nfs/dbraw/zinc/01/66/77/170016677.db2.gz MJWXFPQWAMTDLR-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000336712199 170019958 /nfs/dbraw/zinc/01/99/58/170019958.db2.gz RPLOZQBBNNFJSL-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000336712199 170019960 /nfs/dbraw/zinc/01/99/60/170019960.db2.gz RPLOZQBBNNFJSL-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCc2cnccn2)[C@H](C)C1 ZINC000341887059 170020281 /nfs/dbraw/zinc/02/02/81/170020281.db2.gz KEFQGJDNPRKXLA-OCCSQVGLSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@H](NCCc2cnccn2)[C@H](C)C1 ZINC000341887059 170020282 /nfs/dbraw/zinc/02/02/82/170020282.db2.gz KEFQGJDNPRKXLA-OCCSQVGLSA-N 1 3 248.374 1.339 20 0 BDADHO OC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559775 411550809 /nfs/dbraw/zinc/55/08/09/411550809.db2.gz QSRDEZGBZBLGKI-MJBXVCDLSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559775 411550811 /nfs/dbraw/zinc/55/08/11/411550811.db2.gz QSRDEZGBZBLGKI-MJBXVCDLSA-N 1 3 238.375 1.364 20 0 BDADHO CCOC(=O)C1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000094087839 170192471 /nfs/dbraw/zinc/19/24/71/170192471.db2.gz DEBGEWWHYMEVCU-MCIGGMRASA-N 1 3 240.347 1.060 20 0 BDADHO CCOC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000040690190 170332112 /nfs/dbraw/zinc/33/21/12/170332112.db2.gz BSYWNUGLBPULPW-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CCOC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000040690190 170332114 /nfs/dbraw/zinc/33/21/14/170332114.db2.gz BSYWNUGLBPULPW-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CCOCC(C)(C)NCC[C@H]1CCC[N@@H+]1C ZINC000339374460 170354752 /nfs/dbraw/zinc/35/47/52/170354752.db2.gz BUWBHAVLAJQEOV-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO CCOCC(C)(C)NCC[C@H]1CCC[N@H+]1C ZINC000339374460 170354753 /nfs/dbraw/zinc/35/47/53/170354753.db2.gz BUWBHAVLAJQEOV-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO C[NH+](C)CC(C)(C)CN[C@H]1COC2(CCC2)C1 ZINC000657816737 411605527 /nfs/dbraw/zinc/60/55/27/411605527.db2.gz NEVYXDRLFTZZFU-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@H+](CCc1cn[nH]c1)C2 ZINC000660661747 411614690 /nfs/dbraw/zinc/61/46/90/411614690.db2.gz FYWJYJWMRBHSBO-AWEZNQCLSA-N 1 3 248.374 1.370 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@@H+](CCc1cn[nH]c1)C2 ZINC000660661747 411614691 /nfs/dbraw/zinc/61/46/91/411614691.db2.gz FYWJYJWMRBHSBO-AWEZNQCLSA-N 1 3 248.374 1.370 20 0 BDADHO OCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660675041 411616921 /nfs/dbraw/zinc/61/69/21/411616921.db2.gz WKDLPOBZZAHVSR-UHFFFAOYSA-N 1 3 248.370 1.623 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000663497110 411678777 /nfs/dbraw/zinc/67/87/77/411678777.db2.gz BUWNUDUPQHBDSA-QPPOZKHWSA-N 1 3 238.375 1.532 20 0 BDADHO C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C12CC(C1)CN2 ZINC000663498588 411681514 /nfs/dbraw/zinc/68/15/14/411681514.db2.gz QLUBJNAFZVQUDG-XLICRZQSSA-N 1 3 248.370 1.286 20 0 BDADHO C([NH2+]CC12CC(C1)CN2)[C@H]1CCSC1 ZINC000663500494 411684341 /nfs/dbraw/zinc/68/43/41/411684341.db2.gz KTRVBZFTDUOLQV-KPPDAEKUSA-N 1 3 212.362 1.081 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2COC[C@]2(C)C1 ZINC000661701983 411848212 /nfs/dbraw/zinc/84/82/12/411848212.db2.gz UFLMNFJFECZFSC-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2COC[C@]2(C)C1 ZINC000661701983 411848215 /nfs/dbraw/zinc/84/82/15/411848215.db2.gz UFLMNFJFECZFSC-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](N)C1 ZINC000662244346 412038562 /nfs/dbraw/zinc/03/85/62/412038562.db2.gz PMVYBKUMMIJAGJ-IUCAKERBSA-N 1 3 206.280 1.701 20 0 BDADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](N)C1 ZINC000662244346 412038566 /nfs/dbraw/zinc/03/85/66/412038566.db2.gz PMVYBKUMMIJAGJ-IUCAKERBSA-N 1 3 206.280 1.701 20 0 BDADHO CO[C@@H](CN[C@@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247919 412044220 /nfs/dbraw/zinc/04/42/20/412044220.db2.gz OOLZQCHHECSPLW-STQMWFEESA-N 1 3 226.364 1.519 20 0 BDADHO CCCC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248875 412046015 /nfs/dbraw/zinc/04/60/15/412046015.db2.gz DLQLOGRVHRZHFO-NSHDSACASA-N 1 3 212.337 1.239 20 0 BDADHO CCCC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248875 412046019 /nfs/dbraw/zinc/04/60/19/412046019.db2.gz DLQLOGRVHRZHFO-NSHDSACASA-N 1 3 212.337 1.239 20 0 BDADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662249317 412046855 /nfs/dbraw/zinc/04/68/55/412046855.db2.gz SWPFFRJMVQDKKS-GFCCVEGCSA-N 1 3 224.348 1.382 20 0 BDADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662249317 412046857 /nfs/dbraw/zinc/04/68/57/412046857.db2.gz SWPFFRJMVQDKKS-GFCCVEGCSA-N 1 3 224.348 1.382 20 0 BDADHO Cn1cncc1CCC[NH2+][C@](C)(CN)C1CC1 ZINC000662248182 412047450 /nfs/dbraw/zinc/04/74/50/412047450.db2.gz VVPLJXRUFRIAMF-CYBMUJFWSA-N 1 3 236.363 1.070 20 0 BDADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)CC(C)(C)C ZINC000662251360 412048407 /nfs/dbraw/zinc/04/84/07/412048407.db2.gz AQGXYACFTBBASM-LLVKDONJSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)CC(C)(C)C ZINC000662251360 412048408 /nfs/dbraw/zinc/04/84/08/412048408.db2.gz AQGXYACFTBBASM-LLVKDONJSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)C[N@H+](C[C@H]1CCC2(CNC2)O1)C(C)C ZINC000662253452 412049054 /nfs/dbraw/zinc/04/90/54/412049054.db2.gz WBKXNSPXHZYRMJ-CYBMUJFWSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)C[N@@H+](C[C@H]1CCC2(CNC2)O1)C(C)C ZINC000662253452 412049055 /nfs/dbraw/zinc/04/90/55/412049055.db2.gz WBKXNSPXHZYRMJ-CYBMUJFWSA-N 1 3 240.391 1.874 20 0 BDADHO CC1(C)CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662256129 412051442 /nfs/dbraw/zinc/05/14/42/412051442.db2.gz GRVPXTIUHQCFLW-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662256974 412051870 /nfs/dbraw/zinc/05/18/70/412051870.db2.gz KVIBUHXAYIEEIV-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662256974 412051873 /nfs/dbraw/zinc/05/18/73/412051873.db2.gz KVIBUHXAYIEEIV-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662257449 412051952 /nfs/dbraw/zinc/05/19/52/412051952.db2.gz SDPUCDSOJXLNGA-GFCCVEGCSA-N 1 3 224.348 1.382 20 0 BDADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662257449 412051954 /nfs/dbraw/zinc/05/19/54/412051954.db2.gz SDPUCDSOJXLNGA-GFCCVEGCSA-N 1 3 224.348 1.382 20 0 BDADHO CCC[N@H+](C[C@H](COC)OC)C1CCNCC1 ZINC000662262000 412052804 /nfs/dbraw/zinc/05/28/04/412052804.db2.gz CSZNHPKSNQGEMF-CYBMUJFWSA-N 1 3 244.379 1.112 20 0 BDADHO CCC[N@@H+](C[C@H](COC)OC)C1CCNCC1 ZINC000662262000 412052808 /nfs/dbraw/zinc/05/28/08/412052808.db2.gz CSZNHPKSNQGEMF-CYBMUJFWSA-N 1 3 244.379 1.112 20 0 BDADHO CCCN(C[C@H](COC)OC)C1CC[NH2+]CC1 ZINC000662262000 412052811 /nfs/dbraw/zinc/05/28/11/412052811.db2.gz CSZNHPKSNQGEMF-CYBMUJFWSA-N 1 3 244.379 1.112 20 0 BDADHO CC[C@H](C)C[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258860 412053208 /nfs/dbraw/zinc/05/32/08/412053208.db2.gz MWMPVPJOELXIFE-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](C)C[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662258860 412053212 /nfs/dbraw/zinc/05/32/12/412053212.db2.gz MWMPVPJOELXIFE-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@H](CN)C[C@@H]1C)C1CCC1 ZINC000662264730 412056010 /nfs/dbraw/zinc/05/60/10/412056010.db2.gz JZZIBWUBGCERCY-GMXVVIOVSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](C[N@H+]1C[C@H](CN)C[C@@H]1C)C1CCC1 ZINC000662264730 412056012 /nfs/dbraw/zinc/05/60/12/412056012.db2.gz JZZIBWUBGCERCY-GMXVVIOVSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264249 412056182 /nfs/dbraw/zinc/05/61/82/412056182.db2.gz HADRUDYXUPLSLZ-NJMOYASZSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662264249 412056186 /nfs/dbraw/zinc/05/61/86/412056186.db2.gz HADRUDYXUPLSLZ-NJMOYASZSA-N 1 3 208.349 1.702 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@@H](CN)C[C@@H]1C)C1CCC1 ZINC000662264729 412056600 /nfs/dbraw/zinc/05/66/00/412056600.db2.gz JZZIBWUBGCERCY-DMDPSCGWSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](C[N@H+]1C[C@@H](CN)C[C@@H]1C)C1CCC1 ZINC000662264729 412056605 /nfs/dbraw/zinc/05/66/05/412056605.db2.gz JZZIBWUBGCERCY-DMDPSCGWSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@H](CN)C[C@@H]1C)C1CCCC1 ZINC000662266430 412057946 /nfs/dbraw/zinc/05/79/46/412057946.db2.gz YZCZLOVVKCDGMO-SGMGOOAPSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H](C[N@H+]1C[C@H](CN)C[C@@H]1C)C1CCCC1 ZINC000662266430 412057951 /nfs/dbraw/zinc/05/79/51/412057951.db2.gz YZCZLOVVKCDGMO-SGMGOOAPSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1CC[C@H]1[NH2+]CCOCCN(C)C ZINC000336758355 171059356 /nfs/dbraw/zinc/05/93/56/171059356.db2.gz JPSGBGVTTXJTPO-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N)C2)CCO1 ZINC000346083261 171129283 /nfs/dbraw/zinc/12/92/83/171129283.db2.gz QSUKYNCTVXFONZ-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N)C2)CCO1 ZINC000346083261 171129285 /nfs/dbraw/zinc/12/92/85/171129285.db2.gz QSUKYNCTVXFONZ-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H](C)[C@H](CN)C1)C1CCC1 ZINC000662280831 412071073 /nfs/dbraw/zinc/07/10/73/412071073.db2.gz GECCOVXTEAQBCX-IACUBPJLSA-N 1 3 240.391 1.718 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H](C)[C@H](CN)C1)C1CCC1 ZINC000662280831 412071075 /nfs/dbraw/zinc/07/10/75/412071075.db2.gz GECCOVXTEAQBCX-IACUBPJLSA-N 1 3 240.391 1.718 20 0 BDADHO Cc1cccc(C)c1C[NH2+]C1(CO)CCNCC1 ZINC000662285945 412077064 /nfs/dbraw/zinc/07/70/64/412077064.db2.gz BNTDCGZKEUDUFQ-UHFFFAOYSA-N 1 3 248.370 1.508 20 0 BDADHO CO[C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CCC1 ZINC000662283906 412074458 /nfs/dbraw/zinc/07/44/58/412074458.db2.gz RJHWWHFAQNIITK-UPJWGTAASA-N 1 3 226.364 1.661 20 0 BDADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662287127 412079483 /nfs/dbraw/zinc/07/94/83/412079483.db2.gz WHMWFLTZSVWXMM-JTQLQIEISA-N 1 3 212.337 1.238 20 0 BDADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662287127 412079485 /nfs/dbraw/zinc/07/94/85/412079485.db2.gz WHMWFLTZSVWXMM-JTQLQIEISA-N 1 3 212.337 1.238 20 0 BDADHO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCN)cn1 ZINC000662310258 412093919 /nfs/dbraw/zinc/09/39/19/412093919.db2.gz IYWKMFFZQFWIFI-QWHCGFSZSA-N 1 3 236.363 1.070 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662317606 412098573 /nfs/dbraw/zinc/09/85/73/412098573.db2.gz XVVZGTGUYDSLNH-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319256 412099002 /nfs/dbraw/zinc/09/90/02/412099002.db2.gz LLJZVIFAEQIYTM-ZDUSSCGKSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321248 412100085 /nfs/dbraw/zinc/10/00/85/412100085.db2.gz ABDOHHFZIOJOOE-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@H](N)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328804 412105379 /nfs/dbraw/zinc/10/53/79/412105379.db2.gz VHVOPLPIOZAYEH-DCBWTQNWSA-N 1 3 216.328 1.955 20 0 BDADHO C[C@H](N)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328804 412105382 /nfs/dbraw/zinc/10/53/82/412105382.db2.gz VHVOPLPIOZAYEH-DCBWTQNWSA-N 1 3 216.328 1.955 20 0 BDADHO CC[C@H](COCC1CC1)N[C@H](C)C[C@H](C)[NH3+] ZINC000665236168 412175781 /nfs/dbraw/zinc/17/57/81/412175781.db2.gz ISFBPQQGPRLXOK-DMDPSCGWSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCO[C@H]1CC1(F)F ZINC000665244656 412189296 /nfs/dbraw/zinc/18/92/96/412189296.db2.gz SORPDPSRNZCUCT-MXWKQRLJSA-N 1 3 248.317 1.388 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@]1(C)CC1(F)F ZINC000665267570 412203415 /nfs/dbraw/zinc/20/34/15/412203415.db2.gz YSNYILBINLNILL-DJLDLDEBSA-N 1 3 206.280 1.747 20 0 BDADHO C[C@@H](NC[C@@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665267214 412209995 /nfs/dbraw/zinc/20/99/95/412209995.db2.gz RTJLMYGYIHCMAZ-VXNVDRBHSA-N 1 3 204.264 1.229 20 0 BDADHO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CNC1 ZINC000665267214 412209998 /nfs/dbraw/zinc/20/99/98/412209998.db2.gz RTJLMYGYIHCMAZ-VXNVDRBHSA-N 1 3 204.264 1.229 20 0 BDADHO CC[C@H](NC)C(=O)Nc1ccccc1C[NH2+]C ZINC000662399252 412147568 /nfs/dbraw/zinc/14/75/68/412147568.db2.gz QOGOJEORKRDBPS-NSHDSACASA-N 1 3 235.331 1.343 20 0 BDADHO C[C@H](CN1CCC(C)CC1)NC1CC[NH2+]CC1 ZINC000665272878 412213475 /nfs/dbraw/zinc/21/34/75/412213475.db2.gz MWNLAZFETUWLKA-CYBMUJFWSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccn1 ZINC000665232634 412169459 /nfs/dbraw/zinc/16/94/59/412169459.db2.gz QPYRGZBCDAYYFG-WZRBSPASSA-N 1 3 219.332 1.655 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(N)c1 ZINC000665231960 412170340 /nfs/dbraw/zinc/17/03/40/412170340.db2.gz CARMBKKACNYSJY-NXEZZACHSA-N 1 3 207.321 1.484 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2N)C1 ZINC000665274140 412216976 /nfs/dbraw/zinc/21/69/76/412216976.db2.gz KPBKTTHBRUULMV-IHRRRGAJSA-N 1 3 239.407 1.720 20 0 BDADHO CCCN1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665274382 412217513 /nfs/dbraw/zinc/21/75/13/412217513.db2.gz PAEQJILZUDEYCT-RWMBFGLXSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CC1(C)C ZINC000665279922 412224552 /nfs/dbraw/zinc/22/45/52/412224552.db2.gz PKVFFKIQCAIJKH-JJOYANBFSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CC1(C)C ZINC000665279922 412224556 /nfs/dbraw/zinc/22/45/56/412224556.db2.gz PKVFFKIQCAIJKH-JJOYANBFSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000665280516 412224670 /nfs/dbraw/zinc/22/46/70/412224670.db2.gz DXIAUCAKZSPSQL-SDDRHHMPSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCO[C@@H](C)C1 ZINC000665280516 412224673 /nfs/dbraw/zinc/22/46/73/412224673.db2.gz DXIAUCAKZSPSQL-SDDRHHMPSA-N 1 3 214.353 1.517 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282262 412227931 /nfs/dbraw/zinc/22/79/31/412227931.db2.gz UNJVIBZUDYWCHS-JHJVBQTASA-N 1 3 228.380 1.907 20 0 BDADHO CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608865 412240069 /nfs/dbraw/zinc/24/00/69/412240069.db2.gz QPCKYJDBKWOEMN-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CCN1C ZINC000132947206 412373743 /nfs/dbraw/zinc/37/37/43/412373743.db2.gz COXPFZLUEBXOID-QWRGUYRKSA-N 1 3 241.379 1.103 20 0 BDADHO CN(C)C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127756802 172396656 /nfs/dbraw/zinc/39/66/56/172396656.db2.gz ACADFWCLNGWPQD-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127756802 172396663 /nfs/dbraw/zinc/39/66/63/172396663.db2.gz ACADFWCLNGWPQD-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@](C)(O)C1 ZINC000300332538 173008447 /nfs/dbraw/zinc/00/84/47/173008447.db2.gz MFJAAVYXFPUNKI-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@](C)(O)C1 ZINC000300332538 173008450 /nfs/dbraw/zinc/00/84/50/173008450.db2.gz MFJAAVYXFPUNKI-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO C[N@@H+]1CCC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC000370556869 173020643 /nfs/dbraw/zinc/02/06/43/173020643.db2.gz IPHJBOPIQYDSGB-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO C[N@H+]1CCC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC000370556869 173020644 /nfs/dbraw/zinc/02/06/44/173020644.db2.gz IPHJBOPIQYDSGB-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN(CCO)C1CCC1 ZINC000336662438 173027016 /nfs/dbraw/zinc/02/70/16/173027016.db2.gz MRHPAYBFBMLQHS-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN(CCO)C1CCC1 ZINC000336662438 173027018 /nfs/dbraw/zinc/02/70/18/173027018.db2.gz MRHPAYBFBMLQHS-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000368463268 173027615 /nfs/dbraw/zinc/02/76/15/173027615.db2.gz UAYBWNTVYIGULL-RDBSUJKOSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCO[C@H]1C1CC1 ZINC000368463268 173027618 /nfs/dbraw/zinc/02/76/18/173027618.db2.gz UAYBWNTVYIGULL-RDBSUJKOSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCO[C@H]1C1CC1 ZINC000368463268 173027620 /nfs/dbraw/zinc/02/76/20/173027620.db2.gz UAYBWNTVYIGULL-RDBSUJKOSA-N 1 3 238.375 1.628 20 0 BDADHO CN1CCC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000052048217 173041539 /nfs/dbraw/zinc/04/15/39/173041539.db2.gz BHLSGESONPHCJI-GFCCVEGCSA-N 1 3 246.358 1.965 20 0 BDADHO CN1CCC[C@H](C[NH2+]Cc2ccncc2)C1 ZINC000044535255 173042679 /nfs/dbraw/zinc/04/26/79/173042679.db2.gz HMMTZGYPJXYZQA-CYBMUJFWSA-N 1 3 219.332 1.513 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCCOC(C)(C)C1 ZINC000372424975 173052016 /nfs/dbraw/zinc/05/20/16/173052016.db2.gz IYQMSQOPQSNNLB-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCCOC(C)(C)C1 ZINC000372424975 173052018 /nfs/dbraw/zinc/05/20/18/173052018.db2.gz IYQMSQOPQSNNLB-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H](CO)C1CCCC1 ZINC000352708736 173052914 /nfs/dbraw/zinc/05/29/14/173052914.db2.gz XMQJFLYWTSQJGR-UONOGXRCSA-N 1 3 240.391 1.611 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364536333 173053471 /nfs/dbraw/zinc/05/34/71/173053471.db2.gz ZPEGWJDLKMHYIS-STQMWFEESA-N 1 3 249.362 1.009 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364536333 173053474 /nfs/dbraw/zinc/05/34/74/173053474.db2.gz ZPEGWJDLKMHYIS-STQMWFEESA-N 1 3 249.362 1.009 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058328 /nfs/dbraw/zinc/05/83/28/173058328.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058331 /nfs/dbraw/zinc/05/83/31/173058331.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058333 /nfs/dbraw/zinc/05/83/33/173058333.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CC3(C)COC3)CC[C@@H]21 ZINC000336689570 173058335 /nfs/dbraw/zinc/05/83/35/173058335.db2.gz HSZZJYRTKZKMMF-STQMWFEESA-N 1 3 238.375 1.439 20 0 BDADHO CN1CC[C@H]([NH2+]CCF)[C@@H]2CCC[C@H]21 ZINC000306939465 173152702 /nfs/dbraw/zinc/15/27/02/173152702.db2.gz KMAWFFWXGOEKAX-GARJFASQSA-N 1 3 200.301 1.418 20 0 BDADHO C[N@@H+]1CC[C@H](NCCn2cccn2)[C@@H]2CCC[C@H]21 ZINC000353391233 173153474 /nfs/dbraw/zinc/15/34/74/173153474.db2.gz BILIBESGWFOOQJ-MELADBBJSA-N 1 3 248.374 1.346 20 0 BDADHO C[N@H+]1CC[C@H](NCCn2cccn2)[C@@H]2CCC[C@H]21 ZINC000353391233 173153475 /nfs/dbraw/zinc/15/34/75/173153475.db2.gz BILIBESGWFOOQJ-MELADBBJSA-N 1 3 248.374 1.346 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCCCF)C[C@H]2C1 ZINC000367525237 173197227 /nfs/dbraw/zinc/19/72/27/173197227.db2.gz RZKNEMCYOYGNNS-PHIMTYICSA-N 1 3 200.301 1.230 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCCCF)C[C@H]2C1 ZINC000367525237 173197228 /nfs/dbraw/zinc/19/72/28/173197228.db2.gz RZKNEMCYOYGNNS-PHIMTYICSA-N 1 3 200.301 1.230 20 0 BDADHO C[NH2+]C1CCN(C[C@@H]2CCSC2)CC1 ZINC000228576529 173322906 /nfs/dbraw/zinc/32/29/06/173322906.db2.gz KSYSLTUSIUDELX-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO CNC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000228576529 173322907 /nfs/dbraw/zinc/32/29/07/173322907.db2.gz KSYSLTUSIUDELX-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO C[NH2+]CCCC(=O)Nc1cccc(CN(C)C)c1 ZINC000037611081 173345196 /nfs/dbraw/zinc/34/51/96/173345196.db2.gz JDQCPMHZSHZLFY-UHFFFAOYSA-N 1 3 249.358 1.686 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000224608991 173368020 /nfs/dbraw/zinc/36/80/20/173368020.db2.gz KKEHBGARZMRBAL-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224608991 173368022 /nfs/dbraw/zinc/36/80/22/173368022.db2.gz KKEHBGARZMRBAL-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224608991 173368024 /nfs/dbraw/zinc/36/80/24/173368024.db2.gz KKEHBGARZMRBAL-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO COC1CC([NH2+]CC2=CCN(C)CC2)C1 ZINC000336773596 174017858 /nfs/dbraw/zinc/01/78/58/174017858.db2.gz YUHAFFGLIVQKEX-UHFFFAOYSA-N 1 3 210.321 1.015 20 0 BDADHO COC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336698138 174029091 /nfs/dbraw/zinc/02/90/91/174029091.db2.gz IDICIBXXUJMOIX-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO COC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336698138 174029094 /nfs/dbraw/zinc/02/90/94/174029094.db2.gz IDICIBXXUJMOIX-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO COC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000336698138 174029096 /nfs/dbraw/zinc/02/90/96/174029096.db2.gz IDICIBXXUJMOIX-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO COCC(C)(C)CN(C)CC[C@H]([NH3+])C(C)C ZINC000339409342 174070057 /nfs/dbraw/zinc/07/00/57/174070057.db2.gz KTLRINGBCZLGSV-LBPRGKRZSA-N 1 3 230.396 1.964 20 0 BDADHO COCC(C)(C)C[N@H+](C)CC[C@H](N)C(C)C ZINC000339409342 174070059 /nfs/dbraw/zinc/07/00/59/174070059.db2.gz KTLRINGBCZLGSV-LBPRGKRZSA-N 1 3 230.396 1.964 20 0 BDADHO COCC(C)(C)C[N@@H+](C)CC[C@H](N)C(C)C ZINC000339409342 174070060 /nfs/dbraw/zinc/07/00/60/174070060.db2.gz KTLRINGBCZLGSV-LBPRGKRZSA-N 1 3 230.396 1.964 20 0 BDADHO COCC1CC[NH+](CC(C)(C)N)CC1 ZINC000069633126 174118330 /nfs/dbraw/zinc/11/83/30/174118330.db2.gz NYVGSUFRJDBEHA-UHFFFAOYSA-N 1 3 200.326 1.082 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000234888391 174155938 /nfs/dbraw/zinc/15/59/38/174155938.db2.gz FKKMHQICUYODFP-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO COCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377387929 174189420 /nfs/dbraw/zinc/18/94/20/174189420.db2.gz CEGLWWKBMAFZQT-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO COCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377387929 174189421 /nfs/dbraw/zinc/18/94/21/174189421.db2.gz CEGLWWKBMAFZQT-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO COCCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000377387929 174189422 /nfs/dbraw/zinc/18/94/22/174189422.db2.gz CEGLWWKBMAFZQT-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO COCCC[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336770051 174260958 /nfs/dbraw/zinc/26/09/58/174260958.db2.gz VIBMUYSHJNHOSK-VXGBXAGGSA-N 1 3 216.369 1.589 20 0 BDADHO COCCC[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336770050 174263828 /nfs/dbraw/zinc/26/38/28/174263828.db2.gz VIBMUYSHJNHOSK-RYUDHWBXSA-N 1 3 216.369 1.589 20 0 BDADHO COc1ccc(CN(C)CCOCC[NH3+])cc1 ZINC000093232457 175095346 /nfs/dbraw/zinc/09/53/46/175095346.db2.gz RKZMKTBOLZVIIS-UHFFFAOYSA-N 1 3 238.331 1.102 20 0 BDADHO C[C@@H](c1ccccc1)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313383720 176021298 /nfs/dbraw/zinc/02/12/98/176021298.db2.gz JKRVEHOBUXUYHI-GXTWGEPZSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@@H](c1ccccc1)[N@H+]1CCCO[C@H](CN)C1 ZINC000313383720 176021299 /nfs/dbraw/zinc/02/12/99/176021299.db2.gz JKRVEHOBUXUYHI-GXTWGEPZSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@@H]1CCCCN1CCC[NH2+][C@@H]1CCOC1 ZINC000070963728 176070340 /nfs/dbraw/zinc/07/03/40/176070340.db2.gz ZWLAAUDIYCDONZ-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@@H]1CCC[N@H+](CCc2cnn(C)c2)[C@@H]1CN ZINC000226422718 176099583 /nfs/dbraw/zinc/09/95/83/176099583.db2.gz KPKNHZKJHLWRBU-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@@H]1CN ZINC000226422718 176099585 /nfs/dbraw/zinc/09/95/85/176099585.db2.gz KPKNHZKJHLWRBU-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)O1 ZINC000370722862 176204246 /nfs/dbraw/zinc/20/42/46/176204246.db2.gz UNWDUZXSTGOVJL-MCIONIFRSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)O1 ZINC000370722862 176204249 /nfs/dbraw/zinc/20/42/49/176204249.db2.gz UNWDUZXSTGOVJL-MCIONIFRSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000128241569 176268431 /nfs/dbraw/zinc/26/84/31/176268431.db2.gz YAPSHFDAYZPXIJ-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCC1=CCCOC1 ZINC000335606861 176270063 /nfs/dbraw/zinc/27/00/63/176270063.db2.gz YWAQYMGCMNPTKH-YPMHNXCESA-N 1 3 224.348 1.263 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1=CCCOC1 ZINC000335606861 176270064 /nfs/dbraw/zinc/27/00/64/176270064.db2.gz YWAQYMGCMNPTKH-YPMHNXCESA-N 1 3 224.348 1.263 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353663276 176270095 /nfs/dbraw/zinc/27/00/95/176270095.db2.gz UEBMNZBGPLWAAI-WOPDTQHZSA-N 1 3 248.374 1.197 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000309733767 176344055 /nfs/dbraw/zinc/34/40/55/176344055.db2.gz BUVIQXSGDQZPHM-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000336773824 176353625 /nfs/dbraw/zinc/35/36/25/176353625.db2.gz ZFRSRHNHIQRAAK-UTUOFQBUSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304370213 176354537 /nfs/dbraw/zinc/35/45/37/176354537.db2.gz FVGHEBHJPFAQHY-XQHKEYJVSA-N 1 3 240.416 1.954 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304370213 176354539 /nfs/dbraw/zinc/35/45/39/176354539.db2.gz FVGHEBHJPFAQHY-XQHKEYJVSA-N 1 3 240.416 1.954 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)CCN1CC[NH3+] ZINC000023361637 177264899 /nfs/dbraw/zinc/26/48/99/177264899.db2.gz AXBRQZAHNADPAJ-ZDUSSCGKSA-N 1 3 233.359 1.151 20 0 BDADHO C[C@H]1C[C@@H](CN2CCOCC2(C)C)CC[NH2+]1 ZINC000235699333 177324427 /nfs/dbraw/zinc/32/44/27/177324427.db2.gz ANNDEBCMAWPCFP-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCC1 ZINC000336783269 177331699 /nfs/dbraw/zinc/33/16/99/177331699.db2.gz ZYHNOMRDLOTUFT-FRRDWIJNSA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCC1 ZINC000336783269 177331700 /nfs/dbraw/zinc/33/17/00/177331700.db2.gz ZYHNOMRDLOTUFT-FRRDWIJNSA-N 1 3 225.380 1.010 20 0 BDADHO C[C@H]1C[C@@H](NCCc2nccs2)CC[N@@H+]1C ZINC000127840789 177332639 /nfs/dbraw/zinc/33/26/39/177332639.db2.gz IPLFDPLRWVTZTH-QWRGUYRKSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H]1C[C@@H](NCCc2nccs2)CC[N@H+]1C ZINC000127840789 177332640 /nfs/dbraw/zinc/33/26/40/177332640.db2.gz IPLFDPLRWVTZTH-QWRGUYRKSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000401640204 226360742 /nfs/dbraw/zinc/36/07/42/226360742.db2.gz DVYVADPMXFUNEL-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000401640204 226360743 /nfs/dbraw/zinc/36/07/43/226360743.db2.gz DVYVADPMXFUNEL-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401918397 226362992 /nfs/dbraw/zinc/36/29/92/226362992.db2.gz CFDDFMMIXBRNHD-FRRDWIJNSA-N 1 3 226.364 1.520 20 0 BDADHO CCNCC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414838040 487693964 /nfs/dbraw/zinc/69/39/64/487693964.db2.gz YIBRUXIYRRSKEB-NSHDSACASA-N 1 3 237.347 1.220 20 0 BDADHO NCCC[NH2+]CCc1cccc(Cl)c1 ZINC000163299782 487709980 /nfs/dbraw/zinc/70/99/80/487709980.db2.gz VUFASKVLIKNWIQ-UHFFFAOYSA-N 1 3 212.724 1.821 20 0 BDADHO [NH3+]CCCNCCc1cccc(Cl)c1 ZINC000163299782 487709986 /nfs/dbraw/zinc/70/99/86/487709986.db2.gz VUFASKVLIKNWIQ-UHFFFAOYSA-N 1 3 212.724 1.821 20 0 BDADHO CCO[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000250524436 487733942 /nfs/dbraw/zinc/73/39/42/487733942.db2.gz QMIRMCQQHAWJDK-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250493202 487734008 /nfs/dbraw/zinc/73/40/08/487734008.db2.gz IUBKRRVESYVQJA-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@@](C)(C[NH2+]CCCN1CCCC1)OC ZINC000233958220 487754579 /nfs/dbraw/zinc/75/45/79/487754579.db2.gz XHVYJCUEJOGBHK-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CC[C@@](C)(CNCCC[NH+]1CCCC1)OC ZINC000233958220 487754581 /nfs/dbraw/zinc/75/45/81/487754581.db2.gz XHVYJCUEJOGBHK-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CN(CCN1CCCCC1)C[C@H]1CCC[NH2+]C1 ZINC000234309003 487799192 /nfs/dbraw/zinc/79/91/92/487799192.db2.gz CKAOFGNEBFGJEY-AWEZNQCLSA-N 1 3 239.407 1.404 20 0 BDADHO COCC[N@H+](CCCN)[C@@H]1CC[C@@H](C)C1 ZINC000414752513 487822165 /nfs/dbraw/zinc/82/21/65/487822165.db2.gz KXMDRLQLZPTDEV-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COCC[N@@H+](CCCN)[C@@H]1CC[C@@H](C)C1 ZINC000414752513 487822168 /nfs/dbraw/zinc/82/21/68/487822168.db2.gz KXMDRLQLZPTDEV-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO OCC1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000252697140 487829830 /nfs/dbraw/zinc/82/98/30/487829830.db2.gz FPQMGPQBOGQSKO-JHJVBQTASA-N 1 3 238.375 1.269 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819533 /nfs/dbraw/zinc/81/95/33/527819533.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 1 3 210.365 1.916 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819541 /nfs/dbraw/zinc/81/95/41/527819541.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 1 3 210.365 1.916 20 0 BDADHO [NH3+]CCCNCc1ccc2c(c1)CCCN2 ZINC000414983966 487833000 /nfs/dbraw/zinc/83/30/00/487833000.db2.gz UJNHKRKIUQOETN-UHFFFAOYSA-N 1 3 219.332 1.483 20 0 BDADHO C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCO1 ZINC000153068201 487840138 /nfs/dbraw/zinc/84/01/38/487840138.db2.gz VVWNMYOKRIPXLJ-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000253091372 487849722 /nfs/dbraw/zinc/84/97/22/487849722.db2.gz FZPVMMZROJMQDS-XWLWVQCSSA-N 1 3 212.337 1.005 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000253091372 487849727 /nfs/dbraw/zinc/84/97/27/487849727.db2.gz FZPVMMZROJMQDS-XWLWVQCSSA-N 1 3 212.337 1.005 20 0 BDADHO C[C@@H](CC1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000666769849 487875329 /nfs/dbraw/zinc/87/53/29/487875329.db2.gz FZNVVLUHNQAEPH-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](CC[NH3+])NCc1ccccc1-n1cncn1 ZINC000666831956 487888072 /nfs/dbraw/zinc/88/80/72/487888072.db2.gz QHMOKTNDWGHMRI-LLVKDONJSA-N 1 3 245.330 1.094 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)CO1 ZINC000403799452 487889419 /nfs/dbraw/zinc/88/94/19/487889419.db2.gz DYKNGEOJCKJKGV-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO COc1ccccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950929 487913433 /nfs/dbraw/zinc/91/34/33/487913433.db2.gz QVNBEUDCKLFAIL-CQSZACIVSA-N 1 3 246.354 1.927 20 0 BDADHO Cc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952313 487914149 /nfs/dbraw/zinc/91/41/49/487914149.db2.gz QKJZTKFQNHQGCU-CYBMUJFWSA-N 1 3 231.343 1.622 20 0 BDADHO Cc1ncccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666952229 487914230 /nfs/dbraw/zinc/91/42/30/487914230.db2.gz LLJURSYUTMONDI-ZDUSSCGKSA-N 1 3 231.343 1.622 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993929 487923832 /nfs/dbraw/zinc/92/38/32/487923832.db2.gz ULVZSXCYPDLUEL-GFCCVEGCSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1C[C@@H](CO)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000561793728 323007095 /nfs/dbraw/zinc/00/70/95/323007095.db2.gz KADOROJGTGXWLV-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1C[C@@H](CO)CCN1CC[C@H]1CCC[N@H+]1C ZINC000561793728 323007096 /nfs/dbraw/zinc/00/70/96/323007096.db2.gz KADOROJGTGXWLV-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128485727 323007184 /nfs/dbraw/zinc/00/71/84/323007184.db2.gz JNJCGIABNAEIFR-ZDUSSCGKSA-N 1 3 227.396 1.402 20 0 BDADHO CC[NH2+]CCCN[C@@H](COC)C1CCOCC1 ZINC000567638838 323034285 /nfs/dbraw/zinc/03/42/85/323034285.db2.gz KSSYCJSOEVERCC-ZDUSSCGKSA-N 1 3 244.379 1.017 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000562959602 323035314 /nfs/dbraw/zinc/03/53/14/323035314.db2.gz KWEKIQPRCLMGDW-STQMWFEESA-N 1 3 219.332 1.402 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683545 323059771 /nfs/dbraw/zinc/05/97/71/323059771.db2.gz QRVXOGAZPKTSTG-RYUDHWBXSA-N 1 3 226.364 1.364 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@H](NCC2(O)CCC2)C1 ZINC000567683545 323059772 /nfs/dbraw/zinc/05/97/72/323059772.db2.gz QRVXOGAZPKTSTG-RYUDHWBXSA-N 1 3 226.364 1.364 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000390310879 323084224 /nfs/dbraw/zinc/08/42/24/323084224.db2.gz FWKQWDOFEUJTMM-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO CC(C)COCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397301883 323090306 /nfs/dbraw/zinc/09/03/06/323090306.db2.gz KRWQRTRINBFFTJ-MJBXVCDLSA-N 1 3 242.407 1.964 20 0 BDADHO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563429679 323124982 /nfs/dbraw/zinc/12/49/82/323124982.db2.gz KYRBGVAFJAIGHO-CHWSQXEVSA-N 1 3 248.374 1.507 20 0 BDADHO CN(C)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563429682 323125051 /nfs/dbraw/zinc/12/50/51/323125051.db2.gz KYRBGVAFJAIGHO-STQMWFEESA-N 1 3 248.374 1.507 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414960284 323152293 /nfs/dbraw/zinc/15/22/93/323152293.db2.gz YBZNRRDXUDVMHN-DCAQKATOSA-N 1 3 200.326 1.142 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414960284 323152294 /nfs/dbraw/zinc/15/22/94/323152294.db2.gz YBZNRRDXUDVMHN-DCAQKATOSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1CCc2ccc(OC)cc2C1 ZINC000414986855 323152392 /nfs/dbraw/zinc/15/23/92/323152392.db2.gz JQXDLIKDHKELNA-KBPBESRZSA-N 1 3 248.370 1.879 20 0 BDADHO COC(C)(C)C[N@H+](C)CC[C@H]1CCCN1C ZINC000535764273 323190710 /nfs/dbraw/zinc/19/07/10/323190710.db2.gz PRABPWFHAVGDKB-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO COC(C)(C)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000535764273 323190711 /nfs/dbraw/zinc/19/07/11/323190711.db2.gz PRABPWFHAVGDKB-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CCNCC1 ZINC000328460289 323251904 /nfs/dbraw/zinc/25/19/04/323251904.db2.gz GYGFEHSPBDWGQJ-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH+](C)C)[C@H]1SC ZINC000459369411 324146095 /nfs/dbraw/zinc/14/60/95/324146095.db2.gz NUMINPNYUPKMIU-QJPTWQEYSA-N 1 3 246.420 1.437 20 0 BDADHO C[C@H](NCC1CC[NH2+]CC1)c1ncccc1F ZINC000530235309 324550515 /nfs/dbraw/zinc/55/05/15/324550515.db2.gz IDDBVMPVRQIEPB-JTQLQIEISA-N 1 3 237.322 1.871 20 0 BDADHO COC[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000131873161 325188828 /nfs/dbraw/zinc/18/88/28/325188828.db2.gz LHUHHPNTDAVJJS-LLVKDONJSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000132240482 325207649 /nfs/dbraw/zinc/20/76/49/325207649.db2.gz SIBOQSJCAAIVDL-YPMHNXCESA-N 1 3 225.380 1.010 20 0 BDADHO CCOC[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000547654764 325379941 /nfs/dbraw/zinc/37/99/41/325379941.db2.gz ZBEWWASXMUEUCU-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000134896514 325381738 /nfs/dbraw/zinc/38/17/38/325381738.db2.gz IMRDIFXEXDGJDU-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000134896514 325381740 /nfs/dbraw/zinc/38/17/40/325381740.db2.gz IMRDIFXEXDGJDU-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@@H](N)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000152840551 325805181 /nfs/dbraw/zinc/80/51/81/325805181.db2.gz IUFZPCGRBPYRLO-CYBMUJFWSA-N 1 3 249.358 1.102 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2C[C@@H]2C(F)F)C1 ZINC000565430176 325910533 /nfs/dbraw/zinc/91/05/33/325910533.db2.gz CQTFCUVBAVTZIH-XGEHTFHBSA-N 1 3 204.264 1.500 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000566088195 325992110 /nfs/dbraw/zinc/99/21/10/325992110.db2.gz BXSGZLRJYNETCZ-QJPTWQEYSA-N 1 3 214.353 1.530 20 0 BDADHO C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)CN(C)C ZINC000566778829 326082003 /nfs/dbraw/zinc/08/20/03/326082003.db2.gz ZSISRTLQAFTQMU-NDBYEHHHSA-N 1 3 228.380 1.730 20 0 BDADHO [NH3+]CC1(CNCc2cccc3c2CCCN3)CC1 ZINC000567471862 326198258 /nfs/dbraw/zinc/19/82/58/326198258.db2.gz QEQPOFAFYMAAGS-UHFFFAOYSA-N 1 3 245.370 1.873 20 0 BDADHO NCC1(C[NH2+]Cc2cccc3c2CCCN3)CC1 ZINC000567471862 326198259 /nfs/dbraw/zinc/19/82/59/326198259.db2.gz QEQPOFAFYMAAGS-UHFFFAOYSA-N 1 3 245.370 1.873 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000567579849 326221319 /nfs/dbraw/zinc/22/13/19/326221319.db2.gz MDKYKXWQTYPILZ-XQQFMLRXSA-N 1 3 238.375 1.533 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000567579849 326221321 /nfs/dbraw/zinc/22/13/21/326221321.db2.gz MDKYKXWQTYPILZ-XQQFMLRXSA-N 1 3 238.375 1.533 20 0 BDADHO CN(C)c1ccncc1CNCCC[NH+]1CCC1 ZINC000568236864 326331954 /nfs/dbraw/zinc/33/19/54/326331954.db2.gz XAQPPKYZDGHFPE-UHFFFAOYSA-N 1 3 248.374 1.333 20 0 BDADHO CN(C)c1ccncc1C[NH2+]CCCN1CCC1 ZINC000568236864 326331955 /nfs/dbraw/zinc/33/19/55/326331955.db2.gz XAQPPKYZDGHFPE-UHFFFAOYSA-N 1 3 248.374 1.333 20 0 BDADHO CN(C)Cc1ccc(C(=O)NCC(C)(C)[NH3+])cc1 ZINC000568389262 326352737 /nfs/dbraw/zinc/35/27/37/326352737.db2.gz ZZORNXXHOGPKHM-UHFFFAOYSA-N 1 3 249.358 1.215 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@H](C)NC)c1 ZINC000569137978 326392283 /nfs/dbraw/zinc/39/22/83/326392283.db2.gz JDZCSBPASXZYLG-JTQLQIEISA-N 1 3 235.331 1.343 20 0 BDADHO CC[C@H]1CN(CCOC(C)C)CC[C@@H]1[NH3+] ZINC000147411360 488014243 /nfs/dbraw/zinc/01/42/43/488014243.db2.gz GEUNXQUJZSVHMC-RYUDHWBXSA-N 1 3 214.353 1.471 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215653 488037938 /nfs/dbraw/zinc/03/79/38/488037938.db2.gz QHZLLDGSUBSZRG-GRYCIOLGSA-N 1 3 212.337 1.273 20 0 BDADHO CC[C@H](N[C@@H](C)C1C[NH2+]C1)[C@@H]1CCCCO1 ZINC000656200605 488066282 /nfs/dbraw/zinc/06/62/82/488066282.db2.gz BBTUVTADGSHAGN-DRZSPHRISA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)C1CNC1)[C@@H]1CCCCO1 ZINC000656200605 488066287 /nfs/dbraw/zinc/06/62/87/488066287.db2.gz BBTUVTADGSHAGN-DRZSPHRISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](CCN)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000136136963 488082979 /nfs/dbraw/zinc/08/29/79/488082979.db2.gz IZFXBBNIOQLDSR-NWDGAFQWSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@@H](CC[NH3+])NC[C@H]1CCOc2ccccc21 ZINC000136136963 488082984 /nfs/dbraw/zinc/08/29/84/488082984.db2.gz IZFXBBNIOQLDSR-NWDGAFQWSA-N 1 3 234.343 1.880 20 0 BDADHO CCCC[C@@H](CN)[NH2+]Cc1ccc(C)nc1 ZINC000414814450 488084110 /nfs/dbraw/zinc/08/41/10/488084110.db2.gz NRQORQYHOYJLMD-ZDUSSCGKSA-N 1 3 221.348 1.997 20 0 BDADHO Cc1cncc(CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000402844342 488103717 /nfs/dbraw/zinc/10/37/17/488103717.db2.gz PYHIVCZISGXSMR-QWHCGFSZSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cncc(CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000402844342 488103720 /nfs/dbraw/zinc/10/37/20/488103720.db2.gz PYHIVCZISGXSMR-QWHCGFSZSA-N 1 3 248.374 1.400 20 0 BDADHO CCC[C@](C)(N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508314 488109395 /nfs/dbraw/zinc/10/93/95/488109395.db2.gz DRDLIKLWTMHSTG-ZDUSSCGKSA-N 1 3 235.331 1.601 20 0 BDADHO C[C@H](C[NH2+]CC1(O)CCN(C)CC1)C(C)(C)C ZINC000397552977 488122677 /nfs/dbraw/zinc/12/26/77/488122677.db2.gz IKEQJGAADDREHH-GFCCVEGCSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H]([NH3+])CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000669517790 488129426 /nfs/dbraw/zinc/12/94/26/488129426.db2.gz WQCRGEKWSPGXHX-CMPLNLGQSA-N 1 3 249.358 1.176 20 0 BDADHO CO[C@@H](CN(C)C1CC[NH2+]CC1)C1CCC1 ZINC000662238815 487471323 /nfs/dbraw/zinc/47/13/23/487471323.db2.gz XIYIKSZMKPADIW-ZDUSSCGKSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H](C[N@H+](C)C1CCNCC1)C1CCC1 ZINC000662238815 487471326 /nfs/dbraw/zinc/47/13/26/487471326.db2.gz XIYIKSZMKPADIW-ZDUSSCGKSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H](C[N@@H+](C)C1CCNCC1)C1CCC1 ZINC000662238815 487471328 /nfs/dbraw/zinc/47/13/28/487471328.db2.gz XIYIKSZMKPADIW-ZDUSSCGKSA-N 1 3 226.364 1.485 20 0 BDADHO CC[NH+](CC)CCCNC(=O)[C@H](N)CC(C)C ZINC000019440498 487473382 /nfs/dbraw/zinc/47/33/82/487473382.db2.gz FWEYGIOIUAXPGR-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC1(C)C ZINC000381061217 487495021 /nfs/dbraw/zinc/49/50/21/487495021.db2.gz LCTXCTDCWCEFLE-GFCCVEGCSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCC1(C)C ZINC000381061217 487495024 /nfs/dbraw/zinc/49/50/24/487495024.db2.gz LCTXCTDCWCEFLE-GFCCVEGCSA-N 1 3 228.380 1.562 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)CCC(C)(C)C ZINC000399690520 487495141 /nfs/dbraw/zinc/49/51/41/487495141.db2.gz VSMGSEVZGCZXJA-LBPRGKRZSA-N 1 3 230.396 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)CCC(C)(C)C ZINC000399690520 487495149 /nfs/dbraw/zinc/49/51/49/487495149.db2.gz VSMGSEVZGCZXJA-LBPRGKRZSA-N 1 3 230.396 1.667 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCc1cncn1C ZINC000314401035 487665398 /nfs/dbraw/zinc/66/53/98/487665398.db2.gz TWNBSKUCMBUXCO-RYUDHWBXSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCc1cncn1C ZINC000314401035 487665402 /nfs/dbraw/zinc/66/54/02/487665402.db2.gz TWNBSKUCMBUXCO-RYUDHWBXSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCc1cncn1C ZINC000314401035 487665403 /nfs/dbraw/zinc/66/54/03/487665403.db2.gz TWNBSKUCMBUXCO-RYUDHWBXSA-N 1 3 236.363 1.022 20 0 BDADHO CC[C@H]1CN(CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745771 488150652 /nfs/dbraw/zinc/15/06/52/488150652.db2.gz GEDBKNTXRHDDKM-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667924287 488159065 /nfs/dbraw/zinc/15/90/65/488159065.db2.gz LAFYIWPMNOMJKP-ZIAGYGMSSA-N 1 3 236.359 1.405 20 0 BDADHO c1ccc([C@@H]2C[C@@H]2CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343385 488243403 /nfs/dbraw/zinc/24/34/03/488243403.db2.gz SNWZRFUMKOMUEL-WCVJEAGWSA-N 1 3 242.366 1.941 20 0 BDADHO COCC[N@H+](CCCN)C1CCCC1 ZINC000036883468 488244149 /nfs/dbraw/zinc/24/41/49/488244149.db2.gz KKMZTZSELOWRPG-UHFFFAOYSA-N 1 3 200.326 1.226 20 0 BDADHO COCC[N@@H+](CCCN)C1CCCC1 ZINC000036883468 488244152 /nfs/dbraw/zinc/24/41/52/488244152.db2.gz KKMZTZSELOWRPG-UHFFFAOYSA-N 1 3 200.326 1.226 20 0 BDADHO COCCN(CCC[NH3+])C1CCCC1 ZINC000036883468 488244154 /nfs/dbraw/zinc/24/41/54/488244154.db2.gz KKMZTZSELOWRPG-UHFFFAOYSA-N 1 3 200.326 1.226 20 0 BDADHO COC1CCN(CCNc2cc[nH+]cc2C)CC1 ZINC000684576656 488328732 /nfs/dbraw/zinc/32/87/32/488328732.db2.gz PEQIDFPPSVHUBH-UHFFFAOYSA-N 1 3 249.358 1.335 20 0 BDADHO CC[C@H](CC(F)F)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659851317 490093423 /nfs/dbraw/zinc/09/34/23/490093423.db2.gz YPHSSMYOJJSZOB-VWYCJHECSA-N 1 3 232.318 1.819 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCCOC1)CN1CCCCC1 ZINC000070464854 490215849 /nfs/dbraw/zinc/21/58/49/490215849.db2.gz XCOFYJDWYKDMKI-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H](CN[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464854 490215853 /nfs/dbraw/zinc/21/58/53/490215853.db2.gz XCOFYJDWYKDMKI-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO COCC(C)(C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396721982 490220551 /nfs/dbraw/zinc/22/05/51/490220551.db2.gz WNZVTHGMNSXTOY-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402615 490414490 /nfs/dbraw/zinc/41/44/90/490414490.db2.gz YMYTZHFKQOGAMO-VXGBXAGGSA-N 1 3 222.336 1.133 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@](C)(C[NH3+])C2)O1 ZINC000300351523 490557651 /nfs/dbraw/zinc/55/76/51/490557651.db2.gz BEKQYVJLHIGCSH-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@](C)(CN)C2)O1 ZINC000300351523 490557653 /nfs/dbraw/zinc/55/76/53/490557653.db2.gz BEKQYVJLHIGCSH-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@](C)(CN)C2)O1 ZINC000300351523 490557656 /nfs/dbraw/zinc/55/76/56/490557656.db2.gz BEKQYVJLHIGCSH-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO Cn1cncc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000401633307 490581650 /nfs/dbraw/zinc/58/16/50/490581650.db2.gz BEWQCXFPXYADHA-STQMWFEESA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cncc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000401633307 490581654 /nfs/dbraw/zinc/58/16/54/490581654.db2.gz BEWQCXFPXYADHA-STQMWFEESA-N 1 3 248.374 1.179 20 0 BDADHO CN1CC[C@H](C[N@H+](C)Cc2ccc(O)cc2)C1 ZINC000131445744 490639263 /nfs/dbraw/zinc/63/92/63/490639263.db2.gz LWENVPRZQFWQFT-ZDUSSCGKSA-N 1 3 234.343 1.776 20 0 BDADHO CN1CC[C@H](C[N@@H+](C)Cc2ccc(O)cc2)C1 ZINC000131445744 490639266 /nfs/dbraw/zinc/63/92/66/490639266.db2.gz LWENVPRZQFWQFT-ZDUSSCGKSA-N 1 3 234.343 1.776 20 0 BDADHO CN(C)Cc1cc(CNCCC[NH3+])ccc1F ZINC000415110201 491092574 /nfs/dbraw/zinc/09/25/74/491092574.db2.gz QJDRXLUIRJICSI-UHFFFAOYSA-N 1 3 239.338 1.326 20 0 BDADHO CCn1ccnc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827645 491098665 /nfs/dbraw/zinc/09/86/65/491098665.db2.gz WEIILLZKXBPMGT-TXEJJXNPSA-N 1 3 236.363 1.333 20 0 BDADHO CC(C)[NH+]1CCC(NCC2(CO)CC2)CC1 ZINC000132383252 491135664 /nfs/dbraw/zinc/13/56/64/491135664.db2.gz DELNAPKYWAKOLU-UHFFFAOYSA-N 1 3 226.364 1.221 20 0 BDADHO CCOCCN[C@H]1CC[NH2+]CC1(C)C ZINC000261528218 535627114 /nfs/dbraw/zinc/62/71/14/535627114.db2.gz KDVILMVLHRONLP-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO CCOCC[NH2+][C@H]1CCNCC1(C)C ZINC000261528218 535627118 /nfs/dbraw/zinc/62/71/18/535627118.db2.gz KDVILMVLHRONLP-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@H](COC)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000070657830 536120946 /nfs/dbraw/zinc/12/09/46/536120946.db2.gz IRKVWCZGBHLILB-ODWCKFRGSA-N 1 3 226.364 1.626 20 0 BDADHO CC[C@H](COC)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000070657830 536120949 /nfs/dbraw/zinc/12/09/49/536120949.db2.gz IRKVWCZGBHLILB-ODWCKFRGSA-N 1 3 226.364 1.626 20 0 BDADHO c1ccc2c(c1)CC[C@H](NC[C@H]1CC[NH2+]C1)CO2 ZINC000335496847 518203851 /nfs/dbraw/zinc/20/38/51/518203851.db2.gz QGBFXDBGARQMLW-JSGCOSHPSA-N 1 3 246.354 1.579 20 0 BDADHO C[NH+](C)CCCNC[C@@H]1C[C@]1(C)Br ZINC000892430053 582884980 /nfs/dbraw/zinc/88/49/80/582884980.db2.gz ZLTHHACEEACXFZ-UWVGGRQHSA-N 1 3 249.196 1.701 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819524 /nfs/dbraw/zinc/81/95/24/527819524.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 1 3 210.365 1.916 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 ZINC000488355147 527819528 /nfs/dbraw/zinc/81/95/28/527819528.db2.gz RONBSJMKVOGAAF-AGIUHOORSA-N 1 3 210.365 1.916 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494158925 529051379 /nfs/dbraw/zinc/05/13/79/529051379.db2.gz ARWFFTIULBWORB-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO CC(C)[C@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516882 535038040 /nfs/dbraw/zinc/03/80/40/535038040.db2.gz JZCFXZIJIQESCD-RDBSUJKOSA-N 1 3 242.407 1.904 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000261531935 535285956 /nfs/dbraw/zinc/28/59/56/535285956.db2.gz IKOGPMJAVXBCEB-SDDRHHMPSA-N 1 3 214.353 1.110 20 0 BDADHO CCC[C@@](C)(N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262598927 535522503 /nfs/dbraw/zinc/52/25/03/535522503.db2.gz NLGFCEMGGAAWEY-WCQYABFASA-N 1 3 243.395 1.336 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCO ZINC000348325825 535577677 /nfs/dbraw/zinc/57/76/77/535577677.db2.gz WTXFDDNSICRVGI-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCCO ZINC000348325825 535577683 /nfs/dbraw/zinc/57/76/83/535577683.db2.gz WTXFDDNSICRVGI-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CCN1CCC[C@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000252582921 535584531 /nfs/dbraw/zinc/58/45/31/535584531.db2.gz WNOFEWCRYPRBHQ-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000223192003 535590366 /nfs/dbraw/zinc/59/03/66/535590366.db2.gz VOCCZUXRNFBRGP-IHRRRGAJSA-N 1 3 241.423 1.789 20 0 BDADHO CC[C@@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000219312223 535803975 /nfs/dbraw/zinc/80/39/75/535803975.db2.gz WYMCEHVRIYAMIR-GFCCVEGCSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H]([NH2+]CCOCCN(C)C)C(C)C ZINC000219311893 535804045 /nfs/dbraw/zinc/80/40/45/535804045.db2.gz UKZZQCWPQXVBBM-GFCCVEGCSA-N 1 3 216.369 1.589 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCCCF)C1 ZINC000351758796 535964756 /nfs/dbraw/zinc/96/47/56/535964756.db2.gz QVOVNZYKXQAZAS-LLVKDONJSA-N 1 3 202.317 1.620 20 0 BDADHO CC[C@H](CCO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251134984 536091966 /nfs/dbraw/zinc/09/19/66/536091966.db2.gz ZCPWBDBCAZWYII-RDBSUJKOSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251134984 536091973 /nfs/dbraw/zinc/09/19/73/536091973.db2.gz ZCPWBDBCAZWYII-RDBSUJKOSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251134984 536091975 /nfs/dbraw/zinc/09/19/75/536091975.db2.gz ZCPWBDBCAZWYII-RDBSUJKOSA-N 1 3 240.391 1.611 20 0 BDADHO CN1CCN(C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000336053131 536414931 /nfs/dbraw/zinc/41/49/31/536414931.db2.gz ICLRDJOIZZEZSU-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000893094009 583048548 /nfs/dbraw/zinc/04/85/48/583048548.db2.gz CUVJIGULBKVHQZ-CYZMBNFOSA-N 1 3 242.363 1.400 20 0 BDADHO CC[C@@H]1C[C@@H](CN[C@H](C)C[NH2+]C)CCO1 ZINC000853249712 588728917 /nfs/dbraw/zinc/72/89/17/588728917.db2.gz UTDKWYFZFLUKRE-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000854230805 588780989 /nfs/dbraw/zinc/78/09/89/588780989.db2.gz YZFQJSUZXOGDKN-OLZOCXBDSA-N 1 3 240.391 1.909 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC12CCOCC2 ZINC000854230805 588780990 /nfs/dbraw/zinc/78/09/90/588780990.db2.gz YZFQJSUZXOGDKN-OLZOCXBDSA-N 1 3 240.391 1.909 20 0 BDADHO CO[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000892069233 582784254 /nfs/dbraw/zinc/78/42/54/582784254.db2.gz GSEHTIRPNADZKN-GFCCVEGCSA-N 1 3 212.337 1.049 20 0 BDADHO CO[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892069233 582784256 /nfs/dbraw/zinc/78/42/56/582784256.db2.gz GSEHTIRPNADZKN-GFCCVEGCSA-N 1 3 212.337 1.049 20 0 BDADHO CCOC[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000892178914 582805739 /nfs/dbraw/zinc/80/57/39/582805739.db2.gz DWPAGIZOWFNKBS-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO CCOC[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892178914 582805740 /nfs/dbraw/zinc/80/57/40/582805740.db2.gz DWPAGIZOWFNKBS-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO Cc1ccc(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000892251869 582813532 /nfs/dbraw/zinc/81/35/32/582813532.db2.gz KYOQPZTVJMRHNM-HOTGVXAUSA-N 1 3 244.382 1.997 20 0 BDADHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NCC ZINC000848998843 582821318 /nfs/dbraw/zinc/82/13/18/582821318.db2.gz BQUOHRUJQMQHNX-LBPRGKRZSA-N 1 3 240.395 1.775 20 0 BDADHO CC(C)CCNC(=[NH2+])NCC1=CCN(C)CC1 ZINC000849016917 582827434 /nfs/dbraw/zinc/82/74/34/582827434.db2.gz RKWKQKKFZFNPDR-UHFFFAOYSA-N 1 3 238.379 1.408 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(c2ccncc2CO)CC1 ZINC000893490515 583153266 /nfs/dbraw/zinc/15/32/66/583153266.db2.gz BXFCOHQWELPMOW-CYBMUJFWSA-N 1 3 249.358 1.494 20 0 BDADHO C[NH+](C)[C@H]1CCCN(c2ccncc2CO)CC1 ZINC000893490516 583153283 /nfs/dbraw/zinc/15/32/83/583153283.db2.gz BXFCOHQWELPMOW-ZDUSSCGKSA-N 1 3 249.358 1.494 20 0 BDADHO C/C=C/C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893660812 583189737 /nfs/dbraw/zinc/18/97/37/583189737.db2.gz KSLIKMSZOJKPND-LPUBDCIHSA-N 1 3 238.375 1.528 20 0 BDADHO C/C=C/C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893660812 583189738 /nfs/dbraw/zinc/18/97/38/583189738.db2.gz KSLIKMSZOJKPND-LPUBDCIHSA-N 1 3 238.375 1.528 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000726844447 583378408 /nfs/dbraw/zinc/37/84/08/583378408.db2.gz PXRJMFMZVWLUNT-VXGBXAGGSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H]1CC[N@H+](CC2CCN(C)CC2)[C@@H](C)C1 ZINC000894252921 583392995 /nfs/dbraw/zinc/39/29/95/583392995.db2.gz CSQMBZATLOXKPT-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1CC[N@@H+](CC2CCN(C)CC2)[C@@H](C)C1 ZINC000894252921 583392996 /nfs/dbraw/zinc/39/29/96/583392996.db2.gz CSQMBZATLOXKPT-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000894454881 583464550 /nfs/dbraw/zinc/46/45/50/583464550.db2.gz BJCARHCSKMQFHI-AAEUAGOBSA-N 1 3 242.363 1.258 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000894456888 583464915 /nfs/dbraw/zinc/46/49/15/583464915.db2.gz RPLLMDKLBSQFHD-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@H]2C2CC2)CC1 ZINC000894690987 583509028 /nfs/dbraw/zinc/50/90/28/583509028.db2.gz WLQWZBYXPVHIEA-ZDUSSCGKSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@H]2C2CC2)CC1 ZINC000894690987 583509030 /nfs/dbraw/zinc/50/90/30/583509030.db2.gz WLQWZBYXPVHIEA-ZDUSSCGKSA-N 1 3 208.349 1.813 20 0 BDADHO C[NH+]1CCC(CN[C@H]2CCCc3c[nH]nc32)CC1 ZINC000857852954 588913425 /nfs/dbraw/zinc/91/34/25/588913425.db2.gz HLJUYWIVZRTOMJ-ZDUSSCGKSA-N 1 3 248.374 1.719 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895290786 583637903 /nfs/dbraw/zinc/63/79/03/583637903.db2.gz UIRXYKOOHPYNSO-UTUOFQBUSA-N 1 3 242.363 1.258 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](NCC[C@@H](C)[NH+](C)C)C1 ZINC000895290786 583637904 /nfs/dbraw/zinc/63/79/04/583637904.db2.gz UIRXYKOOHPYNSO-UTUOFQBUSA-N 1 3 242.363 1.258 20 0 BDADHO C[C@H](CC[NH2+]Cc1ccc2c[nH]nc2c1)N(C)C ZINC000895298457 583640226 /nfs/dbraw/zinc/64/02/26/583640226.db2.gz WMHBTXORXHWUQN-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO C[C@H](CC[NH2+]C1CC2(C1)CO[C@H](C)C2)N(C)C ZINC000895429262 583668836 /nfs/dbraw/zinc/66/88/36/583668836.db2.gz LZWXOCKJHHMGEE-IWMBGFJWSA-N 1 3 240.391 1.874 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000895587294 583694471 /nfs/dbraw/zinc/69/44/71/583694471.db2.gz ODQXEUVDJAYESO-AAEUAGOBSA-N 1 3 242.363 1.260 20 0 BDADHO C[C@H]1CC[N@H+](CC2CCN(C)CC2)CCO1 ZINC000896577911 583814351 /nfs/dbraw/zinc/81/43/51/583814351.db2.gz DKBQPSPSBZBSKL-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1CC[N@@H+](CC2CCN(C)CC2)CCO1 ZINC000896577911 583814352 /nfs/dbraw/zinc/81/43/52/583814352.db2.gz DKBQPSPSBZBSKL-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)C1CC([NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000858185758 588937740 /nfs/dbraw/zinc/93/77/40/588937740.db2.gz YDABQVKHUMNRPK-HIFPTAJRSA-N 1 3 239.407 1.541 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897818106 584051001 /nfs/dbraw/zinc/05/10/01/584051001.db2.gz FDOGGJZXWWICTD-RLWKQIJDSA-N 1 3 248.370 1.379 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897818106 584051003 /nfs/dbraw/zinc/05/10/03/584051003.db2.gz FDOGGJZXWWICTD-RLWKQIJDSA-N 1 3 248.370 1.379 20 0 BDADHO C[C@@H](CCO)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490082 588960394 /nfs/dbraw/zinc/96/03/94/588960394.db2.gz AXOUBGPBPJTZEJ-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](NC(=[NH2+])NC[C@H]1CCCN(C)C1)C1CC1 ZINC000899266865 584190555 /nfs/dbraw/zinc/19/05/55/584190555.db2.gz IGBMNBSCYHTBRE-WDEREUQCSA-N 1 3 238.379 1.241 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899263759 584191043 /nfs/dbraw/zinc/19/10/43/584191043.db2.gz MWUDEOBIUMCXKL-ZYHUDNBSSA-N 1 3 238.379 1.383 20 0 BDADHO [NH3+][C@@H]1Cc2ccc(C=C3CNC3)cc2C1 ZINC000899328542 584197735 /nfs/dbraw/zinc/19/77/35/584197735.db2.gz VAVQOTJADTVEGJ-CYBMUJFWSA-N 1 3 200.285 1.099 20 0 BDADHO N[C@@H](CO)c1ccc(C2=CCC[NH2+]C2)cc1 ZINC000899325340 584197877 /nfs/dbraw/zinc/19/78/77/584197877.db2.gz VAVWFYDTSNYAIE-ZDUSSCGKSA-N 1 3 218.300 1.055 20 0 BDADHO Cc1cc(N2CCC[C@@]23CC[NH2+]C3)ccn1 ZINC000900453192 584313197 /nfs/dbraw/zinc/31/31/97/584313197.db2.gz YLMINXGXSAFPGQ-ZDUSSCGKSA-N 1 3 217.316 1.722 20 0 BDADHO CC[C@H](C)[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321136 584552066 /nfs/dbraw/zinc/55/20/66/584552066.db2.gz UXISSJKIGLVDCJ-XQQFMLRXSA-N 1 3 242.407 1.761 20 0 BDADHO CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902321136 584552067 /nfs/dbraw/zinc/55/20/67/584552067.db2.gz UXISSJKIGLVDCJ-XQQFMLRXSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCNCC(C)(C)C1)C[C@H](C)O ZINC000902326042 584560371 /nfs/dbraw/zinc/56/03/71/584560371.db2.gz BLIZVKMOGBNLRU-AGIUHOORSA-N 1 3 242.407 1.761 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC2(CO)CC2)C1 ZINC000902335273 584564120 /nfs/dbraw/zinc/56/41/20/584564120.db2.gz UIGNIVSZFPVPJI-NSHDSACASA-N 1 3 226.364 1.127 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC2(CO)CC2)C1 ZINC000902335273 584564122 /nfs/dbraw/zinc/56/41/22/584564122.db2.gz UIGNIVSZFPVPJI-NSHDSACASA-N 1 3 226.364 1.127 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCc2cccnc2)C1 ZINC000902337724 584565147 /nfs/dbraw/zinc/56/51/47/584565147.db2.gz SCYSNRHRRMOQPB-AWEZNQCLSA-N 1 3 247.386 1.992 20 0 BDADHO CC(C)OCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373417 584566652 /nfs/dbraw/zinc/56/66/52/584566652.db2.gz DLPXSWBTUJLRMG-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CCCCCCO)C1 ZINC000902372815 584566823 /nfs/dbraw/zinc/56/68/23/584566823.db2.gz ZXQRDGNBPQPBBL-CYBMUJFWSA-N 1 3 242.407 1.907 20 0 BDADHO CC[C@@](C)(O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902359226 584570526 /nfs/dbraw/zinc/57/05/26/584570526.db2.gz GNTNGQNDZUPLAR-WCQYABFASA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@](C)(O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359226 584570527 /nfs/dbraw/zinc/57/05/27/584570527.db2.gz GNTNGQNDZUPLAR-WCQYABFASA-N 1 3 228.380 1.515 20 0 BDADHO COC[C@@H](NCC1([NH3+])CC1)C1CCCC1 ZINC000902407066 584574095 /nfs/dbraw/zinc/57/40/95/584574095.db2.gz OXLROXYENSRUTB-LLVKDONJSA-N 1 3 212.337 1.273 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCC2(O)CCC2)C1 ZINC000902384381 584577454 /nfs/dbraw/zinc/57/74/54/584577454.db2.gz KOWQAUURHKJKSX-GFCCVEGCSA-N 1 3 240.391 1.659 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000902384381 584577456 /nfs/dbraw/zinc/57/74/56/584577456.db2.gz KOWQAUURHKJKSX-GFCCVEGCSA-N 1 3 240.391 1.659 20 0 BDADHO CC[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388279 584580095 /nfs/dbraw/zinc/58/00/95/584580095.db2.gz OIBUZDCMVQLUJU-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388282 584580130 /nfs/dbraw/zinc/58/01/30/584580130.db2.gz OIBUZDCMVQLUJU-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902442040 584597928 /nfs/dbraw/zinc/59/79/28/584597928.db2.gz HJHYOEJLYUIVFJ-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902443725 584598326 /nfs/dbraw/zinc/59/83/26/584598326.db2.gz LXQALUOVAULHBK-UTUOFQBUSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902475970 584602906 /nfs/dbraw/zinc/60/29/06/584602906.db2.gz KQBDHXUECULBAZ-MTVMDMGHSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902475969 584602936 /nfs/dbraw/zinc/60/29/36/584602936.db2.gz KQBDHXUECULBAZ-LDMBFOFVSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902448555 584605793 /nfs/dbraw/zinc/60/57/93/584605793.db2.gz GNNAPCYBSNTHML-KGYLQXTDSA-N 1 3 237.391 1.057 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2nonc2c1 ZINC000902458096 584610084 /nfs/dbraw/zinc/61/00/84/584610084.db2.gz STZFOONBWFTAFH-QWRGUYRKSA-N 1 3 246.314 1.440 20 0 BDADHO C[C@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CN1C1CC1 ZINC000902465014 584613090 /nfs/dbraw/zinc/61/30/90/584613090.db2.gz FPECVYALCYHSLE-FFNLUWKOSA-N 1 3 235.375 1.094 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902464256 584613241 /nfs/dbraw/zinc/61/32/41/584613241.db2.gz AWJMYYYNLJTCQN-MRTXSQPYSA-N 1 3 238.375 1.673 20 0 BDADHO C1CC2(C1)CC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468795 584615293 /nfs/dbraw/zinc/61/52/93/584615293.db2.gz VQSKVDXURAJQFM-WRWGMCAJSA-N 1 3 206.333 1.802 20 0 BDADHO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470649 584616224 /nfs/dbraw/zinc/61/62/24/584616224.db2.gz ZHLKRBOALATZSU-OBPIAQAESA-N 1 3 208.349 1.904 20 0 BDADHO C1CC2(CCOCC2)[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470461 584616826 /nfs/dbraw/zinc/61/68/26/584616826.db2.gz YAXMFKJTXJEFIA-LOWDOPEQSA-N 1 3 236.359 1.428 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1csc(N)n1 ZINC000902499276 584620198 /nfs/dbraw/zinc/62/01/98/584620198.db2.gz IWFIEVBMTGHNMN-QMMMGPOBSA-N 1 3 228.365 1.332 20 0 BDADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902506643 584622116 /nfs/dbraw/zinc/62/21/16/584622116.db2.gz ZCZYPDSYOGAYGE-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCC[C@H](O)C2CC2)C1 ZINC000902506643 584622119 /nfs/dbraw/zinc/62/21/19/584622119.db2.gz ZCZYPDSYOGAYGE-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCCCN1 ZINC000902482993 584624040 /nfs/dbraw/zinc/62/40/40/584624040.db2.gz ONEYNNYPFQHRFV-IJLUTSLNSA-N 1 3 214.353 1.532 20 0 BDADHO Cc1ncccc1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902512727 584622953 /nfs/dbraw/zinc/62/29/53/584622953.db2.gz IZYYKKBWWRVAAP-KGLIPLIRSA-N 1 3 245.370 1.792 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCCN1)[C@H]1CCCO1 ZINC000902482467 584623692 /nfs/dbraw/zinc/62/36/92/584623692.db2.gz LPHAMVIOGVLLRU-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO Cc1cc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)n(C)n1 ZINC000902485204 584624899 /nfs/dbraw/zinc/62/48/99/584624899.db2.gz JAYRPGYOSKZXMB-DCAQKATOSA-N 1 3 222.336 1.116 20 0 BDADHO Cc1ncc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)c(C)n1 ZINC000902488778 584627758 /nfs/dbraw/zinc/62/77/58/584627758.db2.gz NVPKVMZWGGTSNQ-YUSALJHKSA-N 1 3 234.347 1.481 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C/Cl ZINC000902517486 584629822 /nfs/dbraw/zinc/62/98/22/584629822.db2.gz IIBFQQXOLXYGMA-YEXVBOHQSA-N 1 3 202.729 1.846 20 0 BDADHO CCO[C@H](CN[C@H]1CCC[C@H]1OC)C[NH+](C)C ZINC000903224271 584738125 /nfs/dbraw/zinc/73/81/25/584738125.db2.gz SYZCZXFLWXNKAY-FRRDWIJNSA-N 1 3 244.379 1.110 20 0 BDADHO C[C@H]1COC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000903397328 584757288 /nfs/dbraw/zinc/75/72/88/584757288.db2.gz WSLNGAPZBBCGBH-FZMZJTMJSA-N 1 3 238.375 1.485 20 0 BDADHO CCN(C[C@H]1CCOC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430823 584761662 /nfs/dbraw/zinc/76/16/62/584761662.db2.gz CXKSJPHGKWQURH-UPJWGTAASA-N 1 3 226.364 1.200 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903422341 584764187 /nfs/dbraw/zinc/76/41/87/584764187.db2.gz YZNXESREWWWVGL-WISYIIOYSA-N 1 3 244.329 1.948 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000903442699 584768037 /nfs/dbraw/zinc/76/80/37/584768037.db2.gz ZAOJTTXALRSXCZ-AGIUHOORSA-N 1 3 248.374 1.445 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903454590 584773491 /nfs/dbraw/zinc/77/34/91/584773491.db2.gz DLXACHGKPMZAHA-RFGFWPKPSA-N 1 3 239.407 1.256 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCC[C@H]2c2ncc[nH]2)C1 ZINC000903457044 584773883 /nfs/dbraw/zinc/77/38/83/584773883.db2.gz LEIPCGQUZDEVOI-TUAOUCFPSA-N 1 3 234.347 1.674 20 0 BDADHO C(C[C@H]1CCCO1)[NH2+][C@H]1CCNC12CCC2 ZINC000903471762 584775232 /nfs/dbraw/zinc/77/52/32/584775232.db2.gz MAUYZZGQBYSDMR-NEPJUHHUSA-N 1 3 224.348 1.430 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@H]1C[C@]12CCOC2 ZINC000903470940 584775445 /nfs/dbraw/zinc/77/54/45/584775445.db2.gz DXZFKHZQLVTVFB-AGIUHOORSA-N 1 3 236.359 1.287 20 0 BDADHO Cn1cncc1CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903472985 584776185 /nfs/dbraw/zinc/77/61/85/584776185.db2.gz YKOBFYUFQVLIFY-CYBMUJFWSA-N 1 3 248.374 1.227 20 0 BDADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903472948 584776239 /nfs/dbraw/zinc/77/62/39/584776239.db2.gz XRBQVQGPBUJDSJ-YVECIDJPSA-N 1 3 220.360 1.907 20 0 BDADHO COCC1(N(C)C[C@@H]2C[NH2+]C[C@H]2C)CCC1 ZINC000903482494 584778700 /nfs/dbraw/zinc/77/87/00/584778700.db2.gz JJVGYLKJDNLLPU-NEPJUHHUSA-N 1 3 226.364 1.343 20 0 BDADHO CC1CC(C[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)C1 ZINC000903761586 584797657 /nfs/dbraw/zinc/79/76/57/584797657.db2.gz WUKAGLPOAVZZBD-KPFVRQRISA-N 1 3 210.365 1.949 20 0 BDADHO CC1CC(C[N@H+]2CC[C@@H](C)[C@@H](CN)C2)C1 ZINC000903761586 584797658 /nfs/dbraw/zinc/79/76/58/584797658.db2.gz WUKAGLPOAVZZBD-KPFVRQRISA-N 1 3 210.365 1.949 20 0 BDADHO CN1CCN(C[C@@H]2CCCC[NH2+]C2)C(C)(C)C1 ZINC000903769597 584797806 /nfs/dbraw/zinc/79/78/06/584797806.db2.gz KAKQZYGHBJPVSE-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N(C1CC1)C1CC1 ZINC000903770854 584798647 /nfs/dbraw/zinc/79/86/47/584798647.db2.gz ZLZSJFBOWTXBMB-ZIAGYGMSSA-N 1 3 236.359 1.382 20 0 BDADHO CC1CC(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000903780859 584799710 /nfs/dbraw/zinc/79/97/10/584799710.db2.gz MSZQGNQUGXDUGU-IFWUJCSASA-N 1 3 208.349 1.574 20 0 BDADHO NC[C@]12CC[C@@H]1CCC[N@@H+]2CCc1cccnc1 ZINC000903798473 584801340 /nfs/dbraw/zinc/80/13/40/584801340.db2.gz NNRIXSRDVNFDSY-LSDHHAIUSA-N 1 3 245.370 1.827 20 0 BDADHO NC[C@]12CC[C@@H]1CCC[N@H+]2CCc1cccnc1 ZINC000903798473 584801342 /nfs/dbraw/zinc/80/13/42/584801342.db2.gz NNRIXSRDVNFDSY-LSDHHAIUSA-N 1 3 245.370 1.827 20 0 BDADHO CNCCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827431 584804886 /nfs/dbraw/zinc/80/48/86/584804886.db2.gz SJKQLFIVSKNMNX-GFCCVEGCSA-N 1 3 228.405 1.813 20 0 BDADHO CNCCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903827431 584804888 /nfs/dbraw/zinc/80/48/88/584804888.db2.gz SJKQLFIVSKNMNX-GFCCVEGCSA-N 1 3 228.405 1.813 20 0 BDADHO C[NH2+]CCCN1CCCSC[C@@H]1C1CC1 ZINC000903827431 584804890 /nfs/dbraw/zinc/80/48/90/584804890.db2.gz SJKQLFIVSKNMNX-GFCCVEGCSA-N 1 3 228.405 1.813 20 0 BDADHO CO[C@H]1C[C@@H](CN2CC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000903860989 584811775 /nfs/dbraw/zinc/81/17/75/584811775.db2.gz VERDMQJFKHRPRN-RVMXOQNASA-N 1 3 224.348 1.225 20 0 BDADHO Cn1cncc1CCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903860343 584811836 /nfs/dbraw/zinc/81/18/36/584811836.db2.gz QWUSRKGOFGZSFV-GXTWGEPZSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903860343 584811837 /nfs/dbraw/zinc/81/18/37/584811837.db2.gz QWUSRKGOFGZSFV-GXTWGEPZSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903860343 584811838 /nfs/dbraw/zinc/81/18/38/584811838.db2.gz QWUSRKGOFGZSFV-GXTWGEPZSA-N 1 3 248.374 1.166 20 0 BDADHO [NH3+][C@@H](CNCCc1ccccc1F)CC(F)F ZINC000903919476 584823125 /nfs/dbraw/zinc/82/31/25/584823125.db2.gz CRWCPCLBXRPRAT-SNVBAGLBSA-N 1 3 246.276 1.940 20 0 BDADHO C[C@@H]1C[C@H]1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969773 584832056 /nfs/dbraw/zinc/83/20/56/584832056.db2.gz KXIWKLIXDQQDNW-FRRDWIJNSA-N 1 3 238.375 1.391 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000903987052 584836145 /nfs/dbraw/zinc/83/61/45/584836145.db2.gz XJOWVPCQVNZHSO-ZRJCITRHSA-N 1 3 238.375 1.674 20 0 BDADHO CC1(C)C[N@H+](C[C@]2(C)CCCNC2)CC[C@@H]1O ZINC000904339980 584866734 /nfs/dbraw/zinc/86/67/34/584866734.db2.gz CGUZIDHUWHGJJO-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[N@@H+](C[C@]2(C)CCCNC2)CC[C@@H]1O ZINC000904339980 584866736 /nfs/dbraw/zinc/86/67/36/584866736.db2.gz CGUZIDHUWHGJJO-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CCC[C@]1(C)CO ZINC000904341530 584867093 /nfs/dbraw/zinc/86/70/93/584867093.db2.gz UCDXAQVADDDFGO-TZMCWYRMSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CCC[C@]1(C)CO ZINC000904341530 584867094 /nfs/dbraw/zinc/86/70/94/584867094.db2.gz UCDXAQVADDDFGO-TZMCWYRMSA-N 1 3 242.407 1.987 20 0 BDADHO CC1(C)CN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346510 584868064 /nfs/dbraw/zinc/86/80/64/584868064.db2.gz SHPQFLCEELKBDV-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@@]2(C)CCCNC2)C[C@@H]1O ZINC000904346510 584868065 /nfs/dbraw/zinc/86/80/65/584868065.db2.gz SHPQFLCEELKBDV-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@@H+](C[C@@]2(C)CCCNC2)C[C@@H]1O ZINC000904346510 584868066 /nfs/dbraw/zinc/86/80/66/584868066.db2.gz SHPQFLCEELKBDV-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1C[C@H](F)CN1 ZINC000904355477 584871474 /nfs/dbraw/zinc/87/14/74/584871474.db2.gz SEDOPQIOMJLIOI-TUAOUCFPSA-N 1 3 245.386 1.430 20 0 BDADHO C[C@H](NC1CC(C[NH3+])C1)c1cncc(F)c1 ZINC000904371063 584873124 /nfs/dbraw/zinc/87/31/24/584873124.db2.gz IGTNVELHTTUIRC-QTZUAFFRSA-N 1 3 223.295 1.609 20 0 BDADHO COc1ccsc1CN1CC[C@@H](CC[NH3+])C1 ZINC000904406660 584878435 /nfs/dbraw/zinc/87/84/35/584878435.db2.gz UAFUROGTJWPOBL-SNVBAGLBSA-N 1 3 240.372 1.927 20 0 BDADHO Cc1nn(C)cc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412177 584879474 /nfs/dbraw/zinc/87/94/74/584879474.db2.gz RUTMRIOKRARMCU-CMPLNLGQSA-N 1 3 236.363 1.145 20 0 BDADHO CCn1nccc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412339 584879512 /nfs/dbraw/zinc/87/95/12/584879512.db2.gz SXMCVYKXBHSPFP-NEPJUHHUSA-N 1 3 236.363 1.320 20 0 BDADHO C[C@@H]1CCCN1CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000817913699 584991429 /nfs/dbraw/zinc/99/14/29/584991429.db2.gz QUCNESMWVSAIAF-RDBSUJKOSA-N 1 3 239.407 1.720 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCCCCCCO)C1 ZINC000743847423 585140609 /nfs/dbraw/zinc/14/06/09/585140609.db2.gz CHDVMPHPFSSBPK-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO C[C@](C[NH3+])(NC[C@H]1CC[C@@H](C2CC2)O1)C1CC1 ZINC000886829910 585180654 /nfs/dbraw/zinc/18/06/54/585180654.db2.gz JEJLXJPFUAWUQI-HZSPNIEDSA-N 1 3 238.375 1.661 20 0 BDADHO CN(CC[NH+]1CCCC1)[C@H]1CCN(C2CC2)C1 ZINC000760835385 585398609 /nfs/dbraw/zinc/39/86/09/585398609.db2.gz ZNMBHEWLBVHWCU-AWEZNQCLSA-N 1 3 237.391 1.251 20 0 BDADHO c1c[nH]c(C2CC[NH+](CCN3CCCC3)CC2)n1 ZINC000760842621 585399477 /nfs/dbraw/zinc/39/94/77/585399477.db2.gz BJNVLNCZWSHOEY-UHFFFAOYSA-N 1 3 248.374 1.685 20 0 BDADHO COCCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000768241253 585534508 /nfs/dbraw/zinc/53/45/08/585534508.db2.gz QPGSZJNCSMEKJV-UHFFFAOYSA-N 1 3 236.359 1.826 20 0 BDADHO C[C@@H](CCO)[NH2+]CCCN1CCC(C)CC1 ZINC000779343791 585752270 /nfs/dbraw/zinc/75/22/70/585752270.db2.gz UBPZKEOHFUMRFF-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H](CCO)NCCC[NH+]1CCC(C)CC1 ZINC000779343791 585752271 /nfs/dbraw/zinc/75/22/71/585752271.db2.gz UBPZKEOHFUMRFF-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](CCO)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000779393287 585753196 /nfs/dbraw/zinc/75/31/96/585753196.db2.gz RDPZRCHTMZVALF-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](CCO)NC[C@H](C)C[NH+]1CCCCC1 ZINC000779393287 585753197 /nfs/dbraw/zinc/75/31/97/585753197.db2.gz RDPZRCHTMZVALF-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)[NH+](CCCN[C@H](C)CCO)C(C)C ZINC000779399709 585753330 /nfs/dbraw/zinc/75/33/30/585753330.db2.gz OLHZAEZHKYTDHV-CYBMUJFWSA-N 1 3 230.396 1.856 20 0 BDADHO c1ccc2c(c1)CC[C@@H]2CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000780284982 585776979 /nfs/dbraw/zinc/77/69/79/585776979.db2.gz HBAFOMPKTKAWJC-ILXRZTDVSA-N 1 3 242.366 1.868 20 0 BDADHO C[C@H]1CC[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000783213102 585831035 /nfs/dbraw/zinc/83/10/35/585831035.db2.gz UPGNTJCOMFVRBG-JSGCOSHPSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)CCS1 ZINC000788482239 585925403 /nfs/dbraw/zinc/92/54/03/585925403.db2.gz KHGXXTMQUVSPIF-LLVKDONJSA-N 1 3 228.405 1.766 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)CCS1 ZINC000788482239 585925404 /nfs/dbraw/zinc/92/54/04/585925404.db2.gz KHGXXTMQUVSPIF-LLVKDONJSA-N 1 3 228.405 1.766 20 0 BDADHO C[C@H](C[S@](C)=O)[N@H+](C)CC1CCN(C)CC1 ZINC000788490083 585925569 /nfs/dbraw/zinc/92/55/69/585925569.db2.gz XEKKSZILXCXXST-BZNIZROVSA-N 1 3 246.420 1.027 20 0 BDADHO C[C@H](C[S@](C)=O)[N@@H+](C)CC1CCN(C)CC1 ZINC000788490083 585925570 /nfs/dbraw/zinc/92/55/70/585925570.db2.gz XEKKSZILXCXXST-BZNIZROVSA-N 1 3 246.420 1.027 20 0 BDADHO C[C@H](C[S@@](C)=O)[N@H+](C)CC1CCN(C)CC1 ZINC000788490082 585925682 /nfs/dbraw/zinc/92/56/82/585925682.db2.gz XEKKSZILXCXXST-BDJLRTHQSA-N 1 3 246.420 1.027 20 0 BDADHO C[C@H](C[S@@](C)=O)[N@@H+](C)CC1CCN(C)CC1 ZINC000788490082 585925683 /nfs/dbraw/zinc/92/56/83/585925683.db2.gz XEKKSZILXCXXST-BDJLRTHQSA-N 1 3 246.420 1.027 20 0 BDADHO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788615646 585927740 /nfs/dbraw/zinc/92/77/40/585927740.db2.gz WFWGXOOZLGTWFM-NEPJUHHUSA-N 1 3 249.358 1.922 20 0 BDADHO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788615646 585927741 /nfs/dbraw/zinc/92/77/41/585927741.db2.gz WFWGXOOZLGTWFM-NEPJUHHUSA-N 1 3 249.358 1.922 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCSC(F)(F)F ZINC000817888109 586832008 /nfs/dbraw/zinc/83/20/08/586832008.db2.gz ASGFXAGAGKLSME-BQBZGAKWSA-N 1 3 230.299 1.955 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc([C@H](C)O)cc1 ZINC000817893553 586832433 /nfs/dbraw/zinc/83/24/33/586832433.db2.gz GWKQEXWRTKFTCK-SRVKXCTJSA-N 1 3 236.359 1.955 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1COc2ccccc2C1 ZINC000817891887 586832922 /nfs/dbraw/zinc/83/29/22/586832922.db2.gz PFDXWGLHCQMDNS-IACUBPJLSA-N 1 3 246.354 1.707 20 0 BDADHO CCc1cc(CN[C@H]2CCC[C@H]2C[NH3+])n[nH]1 ZINC000817891565 586833137 /nfs/dbraw/zinc/83/31/37/586833137.db2.gz DFEWCEVRJBJPSO-CABZTGNLSA-N 1 3 222.336 1.189 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000817890742 586833329 /nfs/dbraw/zinc/83/33/29/586833329.db2.gz YJKMAVSNRCRCKN-AEGPPILISA-N 1 3 248.370 1.745 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000817890744 586833442 /nfs/dbraw/zinc/83/34/42/586833442.db2.gz YJKMAVSNRCRCKN-NWANDNLSSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H](O)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817894155 586833720 /nfs/dbraw/zinc/83/37/20/586833720.db2.gz KFJUSPMIDRLKEO-NILFDRSVSA-N 1 3 248.370 1.957 20 0 BDADHO CSC(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000817898637 586835251 /nfs/dbraw/zinc/83/52/51/586835251.db2.gz IKTDKELPHVPBRW-RKDXNWHRSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@H]2CNCC[C@H]2C)cc1 ZINC000817895632 586835345 /nfs/dbraw/zinc/83/53/45/586835345.db2.gz WNWNZJBAJJFWLE-XUJVJEKNSA-N 1 3 248.370 1.828 20 0 BDADHO CC(C)C[C@H](O)CN[C@H](C)C[C@H](C)[NH3+] ZINC000817906029 586836657 /nfs/dbraw/zinc/83/66/57/586836657.db2.gz SFEIRYYYQINATM-AXFHLTTASA-N 1 3 202.342 1.109 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000817905124 586836678 /nfs/dbraw/zinc/83/66/78/586836678.db2.gz BLBQBPHBYIMWIB-AVGNSLFASA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](NCCN1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912349 586837870 /nfs/dbraw/zinc/83/78/70/586837870.db2.gz GJFOLGAYJMAQTG-AVGNSLFASA-N 1 3 225.380 1.201 20 0 BDADHO Cc1cccc([C@H](O)CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000817909972 586838104 /nfs/dbraw/zinc/83/81/04/586838104.db2.gz FSGIDGNKZCWQTF-YRGRVCCFSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000817912141 586838205 /nfs/dbraw/zinc/83/82/05/586838205.db2.gz FOMQOROPPNJEAR-SNPRPXQTSA-N 1 3 248.370 1.611 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000817912141 586838208 /nfs/dbraw/zinc/83/82/08/586838208.db2.gz FOMQOROPPNJEAR-SNPRPXQTSA-N 1 3 248.370 1.611 20 0 BDADHO Cc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817910548 586838318 /nfs/dbraw/zinc/83/83/18/586838318.db2.gz VUMBNBXUZAIFJW-RBSFLKMASA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCCCC1 ZINC000817914681 586839046 /nfs/dbraw/zinc/83/90/46/586839046.db2.gz XZHMNPLVIGGMNQ-JHJVBQTASA-N 1 3 225.380 1.330 20 0 BDADHO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cnccc1N ZINC000817913304 586839227 /nfs/dbraw/zinc/83/92/27/586839227.db2.gz NLNWRHMZOAMETA-NWDGAFQWSA-N 1 3 248.374 1.629 20 0 BDADHO CC1(CN[C@H]2CCCC[C@@H]2C[NH3+])OCCCO1 ZINC000817926799 586841805 /nfs/dbraw/zinc/84/18/05/586841805.db2.gz WAYQYIHPIWVRLS-NEPJUHHUSA-N 1 3 242.363 1.247 20 0 BDADHO C(N[C@@H]1CCC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000817950818 586847316 /nfs/dbraw/zinc/84/73/16/586847316.db2.gz ZTWYFWOFPITHAW-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO COCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806019 587073793 /nfs/dbraw/zinc/07/37/93/587073793.db2.gz XQMMUBJXVLIXGD-QXMXGUDHSA-N 1 3 238.375 1.770 20 0 BDADHO COCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806019 587073795 /nfs/dbraw/zinc/07/37/95/587073795.db2.gz XQMMUBJXVLIXGD-QXMXGUDHSA-N 1 3 238.375 1.770 20 0 BDADHO C[NH+](C)CCC1CCN(CC[S@](C)=O)CC1 ZINC000827802584 587402929 /nfs/dbraw/zinc/40/29/29/587402929.db2.gz HWWNCHWEZXJRQI-INIZCTEOSA-N 1 3 246.420 1.029 20 0 BDADHO CN(C)CCN(C(=O)CCCCC[NH3+])C1CC1 ZINC000832158398 587646909 /nfs/dbraw/zinc/64/69/09/587646909.db2.gz MKUGCVBKCLRVOU-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000834813128 587767356 /nfs/dbraw/zinc/76/73/56/587767356.db2.gz FGUDDHXVRMWQGV-JTQLQIEISA-N 1 3 235.331 1.003 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841076941 587944020 /nfs/dbraw/zinc/94/40/20/587944020.db2.gz UHOASAODHHDFAJ-QUARPLMYSA-N 1 3 246.445 1.691 20 0 BDADHO Cc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000841080313 587945115 /nfs/dbraw/zinc/94/51/15/587945115.db2.gz RJQXYKKULFLSPP-ZDUSSCGKSA-N 1 3 231.343 1.622 20 0 BDADHO c1cc2c(cc1N[C@@H]1CCC[NH2+]C1)CNCCO2 ZINC000843125718 588084753 /nfs/dbraw/zinc/08/47/53/588084753.db2.gz GCKQAZHPDOTYDV-CYBMUJFWSA-N 1 3 247.342 1.333 20 0 BDADHO [NH3+]CCCCCCCN1CCNC[C@H]1C(F)F ZINC000843385744 588105600 /nfs/dbraw/zinc/10/56/00/588105600.db2.gz QROILXSQZCMPQO-NSHDSACASA-N 1 3 249.349 1.435 20 0 BDADHO [NH3+]CCCCCCCN1CCNC[C@@H]1C(F)F ZINC000843385743 588105617 /nfs/dbraw/zinc/10/56/17/588105617.db2.gz QROILXSQZCMPQO-LLVKDONJSA-N 1 3 249.349 1.435 20 0 BDADHO C[C@H]1CCN[C@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512346 588117705 /nfs/dbraw/zinc/11/77/05/588117705.db2.gz ZFSYNXIZHRMKGS-RYUDHWBXSA-N 1 3 241.379 1.010 20 0 BDADHO CCCCCCN(C)CC(=O)NC(C)(C)C[NH3+] ZINC000844164731 588171749 /nfs/dbraw/zinc/17/17/49/588171749.db2.gz OVVDBMHDXJFRPS-UHFFFAOYSA-N 1 3 243.395 1.352 20 0 BDADHO [NH3+]CCCCCCN1CCNC[C@@H]1C(F)F ZINC000846220540 588261111 /nfs/dbraw/zinc/26/11/11/588261111.db2.gz KAHWHUUYQSMPJO-SNVBAGLBSA-N 1 3 235.322 1.044 20 0 BDADHO Cc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000848563356 588397457 /nfs/dbraw/zinc/39/74/57/588397457.db2.gz RYVLMSUFNNZMFM-BJHJDKERSA-N 1 3 234.347 1.215 20 0 BDADHO Cc1csc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848563113 588397482 /nfs/dbraw/zinc/39/74/82/588397482.db2.gz OUOCCGCMALRMSN-PHIMTYICSA-N 1 3 239.388 1.881 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848717268 588407927 /nfs/dbraw/zinc/40/79/27/588407927.db2.gz PUTRIVXEOOFGNB-RRFJBIMHSA-N 1 3 248.370 1.888 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCNc2ccccc2)C1 ZINC000848718597 588408556 /nfs/dbraw/zinc/40/85/56/588408556.db2.gz NRYUAXMVCVVCCH-OCCSQVGLSA-N 1 3 233.359 1.958 20 0 BDADHO Cc1ncc(CCN[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000848719446 588408563 /nfs/dbraw/zinc/40/85/63/588408563.db2.gz FKWKNGFBFNIQQV-MNOVXSKESA-N 1 3 239.388 1.854 20 0 BDADHO CNC(=[NH2+])NC[C@@H](C(C)C)N1CCC(C)CC1 ZINC000848986510 588425619 /nfs/dbraw/zinc/42/56/19/588425619.db2.gz ZSLPMEPOOHJAQL-LBPRGKRZSA-N 1 3 240.395 1.487 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000848987275 588426302 /nfs/dbraw/zinc/42/63/02/588426302.db2.gz WXOMLJACCBEQHJ-GHMZBOCLSA-N 1 3 226.368 1.383 20 0 BDADHO C[C@H]1CCN(CCNC(=[NH2+])NC(C)(C)C)C1 ZINC000849004713 588432218 /nfs/dbraw/zinc/43/22/18/588432218.db2.gz WYTMEWWWUMOPIJ-JTQLQIEISA-N 1 3 226.368 1.241 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)CN(C)C ZINC000849029998 588442151 /nfs/dbraw/zinc/44/21/51/588442151.db2.gz CFROLKQEWHFILO-NWDGAFQWSA-N 1 3 240.395 1.440 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030008 588442524 /nfs/dbraw/zinc/44/25/24/588442524.db2.gz CLJOYGKJFYJLMF-ZJUUUORDSA-N 1 3 214.357 1.097 20 0 BDADHO C[C@@H](CCO)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538889 588558858 /nfs/dbraw/zinc/55/88/58/588558858.db2.gz NSZBHXSOVCJYJW-STQMWFEESA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H](CCO)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538889 588558859 /nfs/dbraw/zinc/55/88/59/588558859.db2.gz NSZBHXSOVCJYJW-STQMWFEESA-N 1 3 240.391 1.754 20 0 BDADHO C[NH+](C)CC1CCN(CCOC(F)F)CC1 ZINC000851728676 588619024 /nfs/dbraw/zinc/61/90/24/588619024.db2.gz RUTMTXOEKGJCIB-UHFFFAOYSA-N 1 3 236.306 1.499 20 0 BDADHO CO[C@H]1CC[C@H](N(C)CCC[NH+]2CCCC2)C1 ZINC000852009085 588654754 /nfs/dbraw/zinc/65/47/54/588654754.db2.gz YCVPPNRWMYRLAV-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[NH2+]C ZINC000852921677 588713704 /nfs/dbraw/zinc/71/37/04/588713704.db2.gz QGOSVAVVCPSUSK-LBPRGKRZSA-N 1 3 243.395 1.223 20 0 BDADHO COC(=O)C1=CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000863541455 589297194 /nfs/dbraw/zinc/29/71/94/589297194.db2.gz IXTBZLVADVWPDR-UTUOFQBUSA-N 1 3 238.331 1.108 20 0 BDADHO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000863541455 589297195 /nfs/dbraw/zinc/29/71/95/589297195.db2.gz IXTBZLVADVWPDR-UTUOFQBUSA-N 1 3 238.331 1.108 20 0 BDADHO NC(=[NH2+])NC[C@@H]1CCN1C1CCCCCC1 ZINC000864357990 589355579 /nfs/dbraw/zinc/35/55/79/589355579.db2.gz CNJMFAYMJRVXLI-NSHDSACASA-N 1 3 224.352 1.267 20 0 BDADHO CN1CC[C@@H]2C[N@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703717 589513244 /nfs/dbraw/zinc/51/32/44/589513244.db2.gz KTYGXBKQAHCKKH-HIFRSBDPSA-N 1 3 245.370 1.795 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703717 589513245 /nfs/dbraw/zinc/51/32/45/589513245.db2.gz KTYGXBKQAHCKKH-HIFRSBDPSA-N 1 3 245.370 1.795 20 0 BDADHO C[C@H](C[NH3+])C(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867988467 589542590 /nfs/dbraw/zinc/54/25/90/589542590.db2.gz MHHMONQKUBNLRX-SKDRFNHKSA-N 1 3 247.342 1.406 20 0 BDADHO CCO[C@H](CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000872154823 589885794 /nfs/dbraw/zinc/88/57/94/589885794.db2.gz ZPFOKTGHQYAATG-BFHYXJOUSA-N 1 3 238.375 1.343 20 0 BDADHO COCC1(N(C)C[C@H]2CC[NH2+]C2)CCC1 ZINC000872157657 589886595 /nfs/dbraw/zinc/88/65/95/589886595.db2.gz PNONJEXPZWMGDG-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO COCC[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000872253884 589899574 /nfs/dbraw/zinc/89/95/74/589899574.db2.gz LRUMXUDRYJLDON-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCSC2)C1 ZINC000872253168 589900723 /nfs/dbraw/zinc/90/07/23/589900723.db2.gz ZYBDWBSSKOBGQE-QWRGUYRKSA-N 1 3 228.405 1.860 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000872253168 589900725 /nfs/dbraw/zinc/90/07/25/589900725.db2.gz ZYBDWBSSKOBGQE-QWRGUYRKSA-N 1 3 228.405 1.860 20 0 BDADHO C[N@H+]1C[C@H]2CN(c3ccncc3C3CC3)C[C@H]2C1 ZINC000872526232 589946893 /nfs/dbraw/zinc/94/68/93/589946893.db2.gz ZOXGNRXIAZKRJM-BETUJISGSA-N 1 3 243.354 1.957 20 0 BDADHO C[N@@H+]1C[C@H]2CN(c3ccncc3C3CC3)C[C@H]2C1 ZINC000872526232 589946896 /nfs/dbraw/zinc/94/68/96/589946896.db2.gz ZOXGNRXIAZKRJM-BETUJISGSA-N 1 3 243.354 1.957 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NCc1cc2c(s1)CCNC2 ZINC000873213436 589997267 /nfs/dbraw/zinc/99/72/67/589997267.db2.gz ZMOODAGUKLPHQY-IUCAKERBSA-N 1 3 239.388 1.219 20 0 BDADHO [NH3+]CCCNC1([C@@H]2CCCCO2)CCC1 ZINC000873224643 590000670 /nfs/dbraw/zinc/00/06/70/590000670.db2.gz DLPTWYFAZWJUAL-NSHDSACASA-N 1 3 212.337 1.417 20 0 BDADHO NCCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000873224643 590000671 /nfs/dbraw/zinc/00/06/71/590000671.db2.gz DLPTWYFAZWJUAL-NSHDSACASA-N 1 3 212.337 1.417 20 0 BDADHO C[C@@H]1COCC[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236498 590004586 /nfs/dbraw/zinc/00/45/86/590004586.db2.gz HQJXQJQZMGALTL-AGIUHOORSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239601 590005886 /nfs/dbraw/zinc/00/58/86/590005886.db2.gz YWGYBIBCELVLTF-FPYNETTCSA-N 1 3 244.354 1.609 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873249256 590006444 /nfs/dbraw/zinc/00/64/44/590006444.db2.gz JPZCNWQIGUPONG-GARJFASQSA-N 1 3 234.347 1.217 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1c2ccccc2CN1C ZINC000873263911 590014912 /nfs/dbraw/zinc/01/49/12/590014912.db2.gz AGQJRUZVYXUPQE-ZOWXZIJZSA-N 1 3 247.386 1.889 20 0 BDADHO C[C@H](N[C@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873270754 590016360 /nfs/dbraw/zinc/01/63/60/590016360.db2.gz BLNDJECHIZZINU-JQWIXIFHSA-N 1 3 234.347 1.306 20 0 BDADHO C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)C1CNC1 ZINC000873276000 590018018 /nfs/dbraw/zinc/01/80/18/590018018.db2.gz PRAVLRVPEFBFJR-WCQYABFASA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](NC1([C@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873276000 590018015 /nfs/dbraw/zinc/01/80/15/590018015.db2.gz PRAVLRVPEFBFJR-WCQYABFASA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CC(C)(C)CO1 ZINC000873281629 590018647 /nfs/dbraw/zinc/01/86/47/590018647.db2.gz NHCCDUQNOZOFRN-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873281629 590018648 /nfs/dbraw/zinc/01/86/48/590018648.db2.gz NHCCDUQNOZOFRN-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO C(C1CC2(CCC2)C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000877982311 590464934 /nfs/dbraw/zinc/46/49/34/590464934.db2.gz OXYPONIKKPNYLK-CHWSQXEVSA-N 1 3 220.360 1.718 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000127280410 590606482 /nfs/dbraw/zinc/60/64/82/590606482.db2.gz OOLGGHSYIAHXEP-HBNTYKKESA-N 1 3 216.394 1.845 20 0 BDADHO C[NH+]1CCC2(CCN(CCF)C2)CC1 ZINC000878867629 590636323 /nfs/dbraw/zinc/63/63/23/590636323.db2.gz VHKRDMLSDCIILX-UHFFFAOYSA-N 1 3 200.301 1.374 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580030 590817732 /nfs/dbraw/zinc/81/77/32/590817732.db2.gz DICCNKUPFYANBT-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580030 590817734 /nfs/dbraw/zinc/81/77/34/590817734.db2.gz DICCNKUPFYANBT-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000879580235 590819726 /nfs/dbraw/zinc/81/97/26/590819726.db2.gz FVIYITKTWRQQHU-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000879580235 590819728 /nfs/dbraw/zinc/81/97/28/590819728.db2.gz FVIYITKTWRQQHU-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CC2(CCC2)CO1 ZINC000883441764 591669833 /nfs/dbraw/zinc/66/98/33/591669833.db2.gz XCKUNLKNKUTRHH-IJLUTSLNSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000883441764 591669837 /nfs/dbraw/zinc/66/98/37/591669837.db2.gz XCKUNLKNKUTRHH-IJLUTSLNSA-N 1 3 238.375 1.661 20 0 BDADHO C[NH2+]CCCN1CCN(c2ccncc2)[C@@H](C)C1 ZINC000883447821 591670944 /nfs/dbraw/zinc/67/09/44/591670944.db2.gz MRSMENSNZJNAEN-ZDUSSCGKSA-N 1 3 248.374 1.202 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCN2CCCC2)c2ccccc21 ZINC000131930979 591678474 /nfs/dbraw/zinc/67/84/74/591678474.db2.gz GDKGRTVFQLJSDF-LSDHHAIUSA-N 1 3 245.370 1.817 20 0 BDADHO N[C@@H](CC1CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000884253335 591885750 /nfs/dbraw/zinc/88/57/50/591885750.db2.gz HKLPELALOAIHRS-LBPRGKRZSA-N 1 3 233.315 1.211 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CC[C@H](C2CC2)O1 ZINC000886829760 592349900 /nfs/dbraw/zinc/34/99/00/592349900.db2.gz GTPCWQMKYFMVQP-MCIONIFRSA-N 1 3 240.391 1.907 20 0 BDADHO C[NH2+]C1CCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000886827628 592349965 /nfs/dbraw/zinc/34/99/65/592349965.db2.gz OKUSOSPLSYJPKG-YPMHNXCESA-N 1 3 224.348 1.097 20 0 BDADHO CNC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886827628 592349969 /nfs/dbraw/zinc/34/99/69/592349969.db2.gz OKUSOSPLSYJPKG-YPMHNXCESA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1N ZINC000886829436 592351351 /nfs/dbraw/zinc/35/13/51/592351351.db2.gz AFSBHTZEDXHHDU-VOAKCMCISA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1N ZINC000886829436 592351358 /nfs/dbraw/zinc/35/13/58/592351358.db2.gz AFSBHTZEDXHHDU-VOAKCMCISA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886829436 592351363 /nfs/dbraw/zinc/35/13/63/592351363.db2.gz AFSBHTZEDXHHDU-VOAKCMCISA-N 1 3 224.348 1.082 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828235 592352032 /nfs/dbraw/zinc/35/20/32/592352032.db2.gz ZZIWNHOJTBJRLD-XQQFMLRXSA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828235 592352035 /nfs/dbraw/zinc/35/20/35/592352035.db2.gz ZZIWNHOJTBJRLD-XQQFMLRXSA-N 1 3 224.348 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2C[C@]23CCOC3)C1 ZINC000886828235 592352040 /nfs/dbraw/zinc/35/20/40/592352040.db2.gz ZZIWNHOJTBJRLD-XQQFMLRXSA-N 1 3 224.348 1.084 20 0 BDADHO CC1([NH3+])CCN(C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886834809 592356272 /nfs/dbraw/zinc/35/62/72/592356272.db2.gz CZUHZJVBUHJGJU-AAEUAGOBSA-N 1 3 224.348 1.226 20 0 BDADHO C([C@H]1C[C@]12CCOC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832968 592356950 /nfs/dbraw/zinc/35/69/50/592356950.db2.gz QRANYWUFSKQWBS-RDBSUJKOSA-N 1 3 236.359 1.098 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886841715 592363951 /nfs/dbraw/zinc/36/39/51/592363951.db2.gz TVQMDUWZBKQYKD-FDYHWXHSSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886841715 592363957 /nfs/dbraw/zinc/36/39/57/592363957.db2.gz TVQMDUWZBKQYKD-FDYHWXHSSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1C[C@@]12CCOC2 ZINC000886841715 592363962 /nfs/dbraw/zinc/36/39/62/592363962.db2.gz TVQMDUWZBKQYKD-FDYHWXHSSA-N 1 3 224.348 1.225 20 0 BDADHO CC[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133076 592448549 /nfs/dbraw/zinc/44/85/49/592448549.db2.gz SSEAZDWVQVJRAU-OCCSQVGLSA-N 1 3 249.358 1.363 20 0 BDADHO COCCCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130299 592449190 /nfs/dbraw/zinc/44/91/90/592449190.db2.gz BBMVVXDMCFSACK-CYBMUJFWSA-N 1 3 249.358 1.629 20 0 BDADHO COC[C@@H](C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132862 592449919 /nfs/dbraw/zinc/44/99/19/592449919.db2.gz OTEFBLZVQZEAIV-QWHCGFSZSA-N 1 3 249.358 1.627 20 0 BDADHO OCCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300414537 592511950 /nfs/dbraw/zinc/51/19/50/592511950.db2.gz LWHDFAATPMXIRW-KGLIPLIRSA-N 1 3 240.391 1.756 20 0 BDADHO OCCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300414537 592511951 /nfs/dbraw/zinc/51/19/51/592511951.db2.gz LWHDFAATPMXIRW-KGLIPLIRSA-N 1 3 240.391 1.756 20 0 BDADHO OCCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300414537 592511954 /nfs/dbraw/zinc/51/19/54/592511954.db2.gz LWHDFAATPMXIRW-KGLIPLIRSA-N 1 3 240.391 1.756 20 0 BDADHO C([C@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257687934 634461848 /nfs/dbraw/zinc/46/18/48/634461848.db2.gz MSEHDPXMNMKDSJ-CHWSQXEVSA-N 1 3 224.348 1.241 20 0 BDADHO C([C@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257687934 634461853 /nfs/dbraw/zinc/46/18/53/634461853.db2.gz MSEHDPXMNMKDSJ-CHWSQXEVSA-N 1 3 224.348 1.241 20 0 BDADHO CCOC(=O)[C@H]1CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220902038 635398262 /nfs/dbraw/zinc/39/82/62/635398262.db2.gz PTYKBYOKEQSSJU-GRYCIOLGSA-N 1 3 240.347 1.141 20 0 BDADHO Cc1ccc(NCCN[C@@H]2CCC[NH2+]CC2)nc1 ZINC000925877683 635601159 /nfs/dbraw/zinc/60/11/59/635601159.db2.gz LZGSXDOSGXRNRM-CYBMUJFWSA-N 1 3 248.374 1.534 20 0 BDADHO CC(C)N(C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000236647718 635605193 /nfs/dbraw/zinc/60/51/93/635605193.db2.gz GGQOLNAUHKQCRW-UHFFFAOYSA-N 1 3 241.379 1.055 20 0 BDADHO Cc1ccc(NCCN[C@@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000925878006 635605465 /nfs/dbraw/zinc/60/54/65/635605465.db2.gz OQIILEGTYDBHQX-QWHCGFSZSA-N 1 3 248.374 1.390 20 0 BDADHO C1=CCCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925881034 635608233 /nfs/dbraw/zinc/60/82/33/635608233.db2.gz QASCHEYNDKAWKU-ZDUSSCGKSA-N 1 3 224.348 1.311 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CN(C)C ZINC000308957428 631753727 /nfs/dbraw/zinc/75/37/27/631753727.db2.gz ZQEFCAFWKBNHEK-FVCCEPFGSA-N 1 3 210.365 1.962 20 0 BDADHO CCNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000052040829 632050870 /nfs/dbraw/zinc/05/08/70/632050870.db2.gz VGEHKKSEPXXFOU-UHFFFAOYSA-N 1 3 214.357 1.239 20 0 BDADHO CC(C)CCN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000393791930 635728837 /nfs/dbraw/zinc/72/88/37/635728837.db2.gz ZZPSMZAQNSVCJR-CYBMUJFWSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)CCN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000393791930 635728843 /nfs/dbraw/zinc/72/88/43/635728843.db2.gz ZZPSMZAQNSVCJR-CYBMUJFWSA-N 1 3 228.380 1.419 20 0 BDADHO COC[C@@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252090248 632438518 /nfs/dbraw/zinc/43/85/18/632438518.db2.gz DNBYOIAVILFMKG-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000252090248 632438524 /nfs/dbraw/zinc/43/85/24/632438524.db2.gz DNBYOIAVILFMKG-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252090248 632438530 /nfs/dbraw/zinc/43/85/30/632438530.db2.gz DNBYOIAVILFMKG-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@]1(CNC[C@H]([NH3+])CC(F)F)CCCO1 ZINC000309044877 632624823 /nfs/dbraw/zinc/62/48/23/632624823.db2.gz MKLPPAHONNQFJN-SCZZXKLOSA-N 1 3 222.279 1.128 20 0 BDADHO CC1(C)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309056136 632630959 /nfs/dbraw/zinc/63/09/59/632630959.db2.gz JSQCXFOSGZIEAG-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000089144657 632657058 /nfs/dbraw/zinc/65/70/58/632657058.db2.gz KJNIISBKSSUVTB-KBPBESRZSA-N 1 3 233.359 1.731 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCOC1)CN(C)C ZINC000309746006 632664388 /nfs/dbraw/zinc/66/43/88/632664388.db2.gz JDOGKEOYIYTMEH-AGIUHOORSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@]1(CN)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000235707255 632818305 /nfs/dbraw/zinc/81/83/05/632818305.db2.gz PCDQAZNZUQFFBE-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000235707255 632818307 /nfs/dbraw/zinc/81/83/07/632818307.db2.gz PCDQAZNZUQFFBE-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO CCC[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328423284 633764146 /nfs/dbraw/zinc/76/41/46/633764146.db2.gz KQBNTMHDPNSVPN-ASHHDVGLSA-N 1 3 208.349 1.761 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616605 634164579 /nfs/dbraw/zinc/16/45/79/634164579.db2.gz SFNANMGOXGSCJA-RTXFEEFZSA-N 1 3 246.358 1.127 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616605 634164581 /nfs/dbraw/zinc/16/45/81/634164581.db2.gz SFNANMGOXGSCJA-RTXFEEFZSA-N 1 3 246.358 1.127 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925687565 634304771 /nfs/dbraw/zinc/30/47/71/634304771.db2.gz CUPWYYZDVVGERO-RAIGVLPGSA-N 1 3 248.374 1.211 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925697282 634357987 /nfs/dbraw/zinc/35/79/87/634357987.db2.gz XJJLXBKNAAYFQD-XQHKEYJVSA-N 1 3 238.375 1.802 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCn2cccn2)C1 ZINC000902362493 637300885 /nfs/dbraw/zinc/30/08/85/637300885.db2.gz XKFQVOWYXGJWKM-LBPRGKRZSA-N 1 3 236.363 1.251 20 0 BDADHO CCc1noc([C@@H]2CC[C@@H]([NH2+]CCCN)C2)n1 ZINC000904428121 637398595 /nfs/dbraw/zinc/39/85/95/637398595.db2.gz DPASUTVFBBINRI-NXEZZACHSA-N 1 3 238.335 1.207 20 0 BDADHO C[C@H]1C[C@H](C[NH2+]Cc2cncc([O-])c2)CC[NH2+]1 ZINC000904433319 637401064 /nfs/dbraw/zinc/40/10/64/637401064.db2.gz LFCORPMGYCAMFA-WDEREUQCSA-N 1 3 235.331 1.265 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+]C2CC(N)C2)CCO1 ZINC000906510132 638183134 /nfs/dbraw/zinc/18/31/34/638183134.db2.gz NDEVMAFQERYNKY-YYJSSNLHSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000906500768 638194556 /nfs/dbraw/zinc/19/45/56/638194556.db2.gz NNGJWHXGCDSOGU-DGCLKSJQSA-N 1 3 248.374 1.203 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000712557929 711472929 /nfs/dbraw/zinc/47/29/29/711472929.db2.gz OWGAEQBBDADNTN-RWMBFGLXSA-N 1 3 225.380 1.153 20 0 BDADHO C[NH2+]CCCNC(=O)[C@@H](N)C1CCCCCC1 ZINC000911675650 639717431 /nfs/dbraw/zinc/71/74/31/639717431.db2.gz DXLUOFFCZVXXCU-LBPRGKRZSA-N 1 3 241.379 1.010 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000911764471 639791282 /nfs/dbraw/zinc/79/12/82/639791282.db2.gz TWNRTKMVXWHCPA-VXGBXAGGSA-N 1 3 243.395 1.254 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000911800842 639822584 /nfs/dbraw/zinc/82/25/84/639822584.db2.gz VETQVHGGAFGPFX-MNOVXSKESA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000911800841 639822995 /nfs/dbraw/zinc/82/29/95/639822995.db2.gz VETQVHGGAFGPFX-GHMZBOCLSA-N 1 3 241.379 1.138 20 0 BDADHO C[N@@H+]1C[C@@]2(C)CN(CCCF)C[C@@]2(C)C1 ZINC000931311774 640147240 /nfs/dbraw/zinc/14/72/40/640147240.db2.gz STKJEKCBKLCWDA-TXEJJXNPSA-N 1 3 214.328 1.620 20 0 BDADHO C[N@H+]1C[C@@]2(C)CN(CCCF)C[C@@]2(C)C1 ZINC000931311774 640147250 /nfs/dbraw/zinc/14/72/50/640147250.db2.gz STKJEKCBKLCWDA-TXEJJXNPSA-N 1 3 214.328 1.620 20 0 BDADHO CCOCCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310987 640145299 /nfs/dbraw/zinc/14/52/99/640145299.db2.gz NEILWTZPHGLHCV-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CO[C@H]1CC[C@H](N2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354618 640167463 /nfs/dbraw/zinc/16/74/63/640167463.db2.gz KZOZXVYBMJSJJT-STQMWFEESA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@H]1CC[C@H]([NH+]2CCC(C)(N(C)C)CC2)C1 ZINC000931354618 640167466 /nfs/dbraw/zinc/16/74/66/640167466.db2.gz KZOZXVYBMJSJJT-STQMWFEESA-N 1 3 240.391 1.970 20 0 BDADHO COCC[C@@H](C)[NH+]1CCC(C)(N(C)C)CC1 ZINC000931351868 640168199 /nfs/dbraw/zinc/16/81/99/640168199.db2.gz WDYHUQMVFSIACA-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCCn1ccnc1 ZINC000931721129 640340093 /nfs/dbraw/zinc/34/00/93/640340093.db2.gz ILNUCDPVTSYFKY-UONOGXRCSA-N 1 3 248.374 1.442 20 0 BDADHO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCCn1ccnc1 ZINC000931721129 640340101 /nfs/dbraw/zinc/34/01/01/640340101.db2.gz ILNUCDPVTSYFKY-UONOGXRCSA-N 1 3 248.374 1.442 20 0 BDADHO Cc1cc(NCC(C)(C)[NH+](C)C)nc(N)n1 ZINC000045724104 640652415 /nfs/dbraw/zinc/65/24/15/640652415.db2.gz OXWWSAFYSFMMIK-UHFFFAOYSA-N 1 3 223.324 1.119 20 0 BDADHO CN(Cc1cncs1)C1CCC([NH3+])CC1 ZINC000166665580 640662874 /nfs/dbraw/zinc/66/28/74/640662874.db2.gz IFHKWNBWLSPHFZ-UHFFFAOYSA-N 1 3 225.361 1.845 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229216442 640934031 /nfs/dbraw/zinc/93/40/31/640934031.db2.gz SCGXFQKVRUYMPM-RYUDHWBXSA-N 1 3 228.405 1.847 20 0 BDADHO C[C@]1(CNC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062862301 641100766 /nfs/dbraw/zinc/10/07/66/641100766.db2.gz CKQGKNZSKRGYIF-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO CCOC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062862321 641101741 /nfs/dbraw/zinc/10/17/41/641101741.db2.gz IMXUTURGBCAEBJ-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](c1ccccc1)N1CCN(CCC[NH3+])CC1 ZINC000078626738 641941451 /nfs/dbraw/zinc/94/14/51/641941451.db2.gz MNSGBXAKNDLFPR-CQSZACIVSA-N 1 3 247.386 1.714 20 0 BDADHO CCO[C@@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000233763682 642690596 /nfs/dbraw/zinc/69/05/96/642690596.db2.gz IPQFVCPWIVBNNA-VHSXEESVSA-N 1 3 214.353 1.517 20 0 BDADHO NC[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525974 643583690 /nfs/dbraw/zinc/58/36/90/643583690.db2.gz UFCQMJACQQTLNM-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083525974 643583694 /nfs/dbraw/zinc/58/36/94/643583694.db2.gz UFCQMJACQQTLNM-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000083525974 643583699 /nfs/dbraw/zinc/58/36/99/643583699.db2.gz UFCQMJACQQTLNM-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccsc1 ZINC000084221819 643650692 /nfs/dbraw/zinc/65/06/92/643650692.db2.gz BMEHSTKLWRZWMZ-WDEREUQCSA-N 1 3 210.346 1.965 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000922283635 643952635 /nfs/dbraw/zinc/95/26/35/643952635.db2.gz FUFHUTUTUJIRAJ-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO C[N@H+]1CCCC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000922283635 643952638 /nfs/dbraw/zinc/95/26/38/643952638.db2.gz FUFHUTUTUJIRAJ-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO C[C@@H](O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500943 644144360 /nfs/dbraw/zinc/14/43/60/644144360.db2.gz XOSLWBJEDOSSKX-QJPTWQEYSA-N 1 3 214.353 1.268 20 0 BDADHO CC(C)CC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923282418 644315684 /nfs/dbraw/zinc/31/56/84/644315684.db2.gz VVFUGGRFYZOBGS-CHWSQXEVSA-N 1 3 228.380 1.454 20 0 BDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCCc3ccccc3C2)C1 ZINC000923311575 644345863 /nfs/dbraw/zinc/34/58/63/644345863.db2.gz PEBJYMKHUVAQDE-KKUMJFAQSA-N 1 3 246.354 1.285 20 0 BDADHO C[C@H](NC(CN)C[NH3+])c1cccc2ccccc21 ZINC000923352342 644370057 /nfs/dbraw/zinc/37/00/57/644370057.db2.gz VKWFZJQKRJJTPX-NSHDSACASA-N 1 3 243.354 1.776 20 0 BDADHO C[C@H]([NH2+]C(CN)CN)c1cccc2ccccc21 ZINC000923352342 644370060 /nfs/dbraw/zinc/37/00/60/644370060.db2.gz VKWFZJQKRJJTPX-NSHDSACASA-N 1 3 243.354 1.776 20 0 BDADHO C[C@]12COC[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923387254 644398359 /nfs/dbraw/zinc/39/83/59/644398359.db2.gz CFQUHOJBGAPJHY-YPMHNXCESA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1CN(CCc2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000923412590 644415187 /nfs/dbraw/zinc/41/51/87/644415187.db2.gz RJFHNACUHCHJHG-YPMHNXCESA-N 1 3 236.334 1.895 20 0 BDADHO C[C@H]1CN(CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923412589 644415285 /nfs/dbraw/zinc/41/52/85/644415285.db2.gz RJFHNACUHCHJHG-WCQYABFASA-N 1 3 236.334 1.895 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)Cc1ccccc1 ZINC000923422841 644418274 /nfs/dbraw/zinc/41/82/74/644418274.db2.gz TWUWCNWXICBORD-BFHYXJOUSA-N 1 3 248.370 1.305 20 0 BDADHO CC(C)CC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923419787 644424894 /nfs/dbraw/zinc/42/48/94/644424894.db2.gz CMGCPZQINJUESW-QJPTWQEYSA-N 1 3 228.380 1.499 20 0 BDADHO CC(C)CC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419787 644424899 /nfs/dbraw/zinc/42/48/99/644424899.db2.gz CMGCPZQINJUESW-QJPTWQEYSA-N 1 3 228.380 1.499 20 0 BDADHO CC(C)CC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923419790 644425597 /nfs/dbraw/zinc/42/55/97/644425597.db2.gz CMGCPZQINJUESW-TUAOUCFPSA-N 1 3 228.380 1.499 20 0 BDADHO CC(C)CC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419790 644425599 /nfs/dbraw/zinc/42/55/99/644425599.db2.gz CMGCPZQINJUESW-TUAOUCFPSA-N 1 3 228.380 1.499 20 0 BDADHO Cc1cccc([C@@H](C)N2CCNCC[NH2+]CC2)c1 ZINC000923462068 644445751 /nfs/dbraw/zinc/44/57/51/644445751.db2.gz CBHRTJSNQKFOHV-CQSZACIVSA-N 1 3 247.386 1.551 20 0 BDADHO [NH3+]CC[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000923481941 644458979 /nfs/dbraw/zinc/45/89/79/644458979.db2.gz VNQBTWVLWGRQQC-SNVBAGLBSA-N 1 3 235.331 1.723 20 0 BDADHO Cc1c[nH]nc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923493717 644470930 /nfs/dbraw/zinc/47/09/30/644470930.db2.gz UMCLZBBCHLTLFW-MNOVXSKESA-N 1 3 222.336 1.135 20 0 BDADHO C[C@@H]1CN(Cc2ccno2)CC[C@H]1C[NH3+] ZINC000923501131 644474897 /nfs/dbraw/zinc/47/48/97/644474897.db2.gz ZDQSVUILPYRTMD-ZJUUUORDSA-N 1 3 209.293 1.091 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923550476 644498490 /nfs/dbraw/zinc/49/84/90/644498490.db2.gz YCVGOXWEWWWFMA-CYBMUJFWSA-N 1 3 226.364 1.474 20 0 BDADHO NCCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000923550476 644498497 /nfs/dbraw/zinc/49/84/97/644498497.db2.gz YCVGOXWEWWWFMA-CYBMUJFWSA-N 1 3 226.364 1.474 20 0 BDADHO C[C@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250987489 644788339 /nfs/dbraw/zinc/78/83/39/644788339.db2.gz KUICJFAACWYWHP-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(C)C1 ZINC000251165650 644795908 /nfs/dbraw/zinc/79/59/08/644795908.db2.gz CZBHCOBYFQXUSM-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000925489734 645534121 /nfs/dbraw/zinc/53/41/21/645534121.db2.gz LHKFDQWYPWEFQS-WFASDCNBSA-N 1 3 247.386 1.983 20 0 BDADHO CCOCCOCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000927088814 645544915 /nfs/dbraw/zinc/54/49/15/645544915.db2.gz WKNNTGIZGDDYPY-OLZOCXBDSA-N 1 3 244.379 1.112 20 0 BDADHO CCOCCOCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000927088814 645544918 /nfs/dbraw/zinc/54/49/18/645544918.db2.gz WKNNTGIZGDDYPY-OLZOCXBDSA-N 1 3 244.379 1.112 20 0 BDADHO CCN1CCC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925494021 645726975 /nfs/dbraw/zinc/72/69/75/645726975.db2.gz NHLUXYQMENSXIO-STQMWFEESA-N 1 3 237.391 1.345 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924524524 646046068 /nfs/dbraw/zinc/04/60/68/646046068.db2.gz CUYCBCFGOKTNQE-GFCCVEGCSA-N 1 3 230.396 1.715 20 0 BDADHO CC(C)CC[NH+]1CCC(N[C@H](C)CO)CC1 ZINC000924750201 646099530 /nfs/dbraw/zinc/09/95/30/646099530.db2.gz DOAGSKXHYXPILF-GFCCVEGCSA-N 1 3 228.380 1.467 20 0 BDADHO CCCC[C@@H](CC)CN[C@H]1C[NH2+]CCOC1 ZINC000925500168 646304290 /nfs/dbraw/zinc/30/42/90/646304290.db2.gz AKLXZZQNNPNQKA-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO C(CN1CCCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000925508091 646308296 /nfs/dbraw/zinc/30/82/96/646308296.db2.gz FBQYKVVMOQNLAW-ZDUSSCGKSA-N 1 3 237.391 1.347 20 0 BDADHO C[C@@H]1CCCN(CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925548492 646326986 /nfs/dbraw/zinc/32/69/86/646326986.db2.gz CITWUOKPZTVIDN-OLZOCXBDSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](CCCO)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925553483 646330758 /nfs/dbraw/zinc/33/07/58/646330758.db2.gz SQVBIQNSRWYNDJ-NDBYEHHHSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000925584278 646346829 /nfs/dbraw/zinc/34/68/29/646346829.db2.gz KHJPQOTYFNFSLG-PWSUYJOCSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](CO)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614319 646363609 /nfs/dbraw/zinc/36/36/09/646363609.db2.gz WKSFKORJLZYFLY-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CO)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925614319 646363613 /nfs/dbraw/zinc/36/36/13/646363613.db2.gz WKSFKORJLZYFLY-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO CCC1(O)CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925617546 646364191 /nfs/dbraw/zinc/36/41/91/646364191.db2.gz XAUIPKJSCQUPJQ-RJZJGCCBSA-N 1 3 240.391 1.800 20 0 BDADHO CCC(O)(CC)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925650192 646389217 /nfs/dbraw/zinc/38/92/17/646389217.db2.gz RXNTVFVFORAOCM-NEPJUHHUSA-N 1 3 240.391 1.787 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCO ZINC000925659586 646397007 /nfs/dbraw/zinc/39/70/07/646397007.db2.gz YMXBDQBFOGWLLG-SRVKXCTJSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCCOC1)[NH2+]2 ZINC000925667708 646398368 /nfs/dbraw/zinc/39/83/68/646398368.db2.gz DYCPQVFOXOROTN-YYHQMBLXSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC1(C)C)[NH2+]2 ZINC000925685280 646411019 /nfs/dbraw/zinc/41/10/19/646411019.db2.gz HFLDCHKWMAUOHK-SVNGYHJRSA-N 1 3 208.349 1.904 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC23CCC3)[C@H](C)O1 ZINC000925696722 646421150 /nfs/dbraw/zinc/42/11/50/646421150.db2.gz LKECLMSNAGFLQB-XQHKEYJVSA-N 1 3 238.375 1.674 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925709835 646435161 /nfs/dbraw/zinc/43/51/61/646435161.db2.gz OSVKUIGAZXRPPU-HZSPNIEDSA-N 1 3 240.391 1.515 20 0 BDADHO C(C[C@H]1CCCOC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000925720433 646446295 /nfs/dbraw/zinc/44/62/95/646446295.db2.gz HLQRHRMXTPDSJG-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C12CCC2 ZINC000925726073 646452336 /nfs/dbraw/zinc/45/23/36/646452336.db2.gz PWYVSWQVEBVWLC-ISCIKXKRSA-N 1 3 248.370 1.269 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733993 646457765 /nfs/dbraw/zinc/45/77/65/646457765.db2.gz YWZHQJJPFITVBO-NXEZZACHSA-N 1 3 211.334 1.155 20 0 BDADHO C([NH2+]C1CCNCC1)C1(CC2CC2)CC1 ZINC000925735449 646460142 /nfs/dbraw/zinc/46/01/42/646460142.db2.gz ZYJCPFINZQLVAG-UHFFFAOYSA-N 1 3 208.349 1.908 20 0 BDADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925770412 646471207 /nfs/dbraw/zinc/47/12/07/646471207.db2.gz SYOZPSRLIDWIKG-CRWXNKLISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[C@@H]3N)ccc2O1 ZINC000925829294 646499066 /nfs/dbraw/zinc/49/90/66/646499066.db2.gz AUYAYHIXWVEFGL-DDTOSNHZSA-N 1 3 246.354 1.979 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832427 646500622 /nfs/dbraw/zinc/50/06/22/646500622.db2.gz PPPYDECMORAQQY-UTINFBMNSA-N 1 3 236.281 1.902 20 0 BDADHO CCC[C@H](O)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925860423 646512823 /nfs/dbraw/zinc/51/28/23/646512823.db2.gz YKCALEIQDZKPFL-TUAOUCFPSA-N 1 3 226.364 1.397 20 0 BDADHO CCOCCOCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000925875327 646525909 /nfs/dbraw/zinc/52/59/09/646525909.db2.gz QUSYGKUAOXXFJO-STQMWFEESA-N 1 3 244.379 1.017 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)Cc1ccccn1)CN(C)C ZINC000926476263 646653877 /nfs/dbraw/zinc/65/38/77/646653877.db2.gz ZGLWVQSJUWDBGG-OLZOCXBDSA-N 1 3 235.375 1.800 20 0 BDADHO C[C@H]1CC[C@@H](C[N@@H+]2CCCC[C@H]2CN)O1 ZINC000711310329 712293710 /nfs/dbraw/zinc/29/37/10/712293710.db2.gz JUBNNJOMWWZCGI-SRVKXCTJSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1CC[C@@H](C[N@H+]2CCCC[C@H]2CN)O1 ZINC000711310329 712293711 /nfs/dbraw/zinc/29/37/11/712293711.db2.gz JUBNNJOMWWZCGI-SRVKXCTJSA-N 1 3 212.337 1.367 20 0 BDADHO CCN1CC[C@H]1C[NH2+]C1CCN(C(C)C)CC1 ZINC000712584457 712434303 /nfs/dbraw/zinc/43/43/03/712434303.db2.gz BCGNNZYUPSELFF-AWEZNQCLSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COCC2(C)C)C1 ZINC000715540131 712526502 /nfs/dbraw/zinc/52/65/02/712526502.db2.gz DLGXKZJESMFLSC-JHJVBQTASA-N 1 3 240.391 1.874 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2COCC2(C)C)C1 ZINC000715540131 712526503 /nfs/dbraw/zinc/52/65/03/712526503.db2.gz DLGXKZJESMFLSC-JHJVBQTASA-N 1 3 240.391 1.874 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000716843558 712578349 /nfs/dbraw/zinc/57/83/49/712578349.db2.gz KPFJVHOKFTWTGY-IJLUTSLNSA-N 1 3 214.353 1.268 20 0 BDADHO CC1(C)CO[C@H](CN[C@H]2CC[NH2+]CC2(C)C)C1 ZINC000717318090 712646481 /nfs/dbraw/zinc/64/64/81/712646481.db2.gz NMTLTXPDYZUNEM-RYUDHWBXSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)CO[C@H](C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000717318090 712646482 /nfs/dbraw/zinc/64/64/82/712646482.db2.gz NMTLTXPDYZUNEM-RYUDHWBXSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720874203 712873550 /nfs/dbraw/zinc/87/35/50/712873550.db2.gz WSGJTCHDZYFEGV-IUCAKERBSA-N 1 3 224.270 1.711 20 0 BDADHO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)C1CNC1 ZINC000720929730 712879339 /nfs/dbraw/zinc/87/93/39/712879339.db2.gz XVBFVZODBQTWAN-QMMMGPOBSA-N 1 3 218.291 1.619 20 0 BDADHO CCN(C[C@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000389600486 711082498 /nfs/dbraw/zinc/08/24/98/711082498.db2.gz UFOXCOKFSIUXOM-GFCCVEGCSA-N 1 3 216.369 1.418 20 0 BDADHO CCN(C[C@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000389600486 711082499 /nfs/dbraw/zinc/08/24/99/711082499.db2.gz UFOXCOKFSIUXOM-GFCCVEGCSA-N 1 3 216.369 1.418 20 0 BDADHO C[C@@H]1C[C@@H](NCCOC2CCC2)CC[N@@H+]1C ZINC000390593258 711128609 /nfs/dbraw/zinc/12/86/09/711128609.db2.gz ZUWWFTUNGIMEIT-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@@H](NCCOC2CCC2)CC[N@H+]1C ZINC000390593258 711128612 /nfs/dbraw/zinc/12/86/12/711128612.db2.gz ZUWWFTUNGIMEIT-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO COCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396585933 711358043 /nfs/dbraw/zinc/35/80/43/711358043.db2.gz HPCOPAKRDDQHLJ-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](CCO)NC1CC([NH+]2CCCCC2)C1 ZINC000381494455 710646797 /nfs/dbraw/zinc/64/67/97/710646797.db2.gz ZQKPCTGJYKOZIA-PNESKVBLSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCC(C)(C)CO ZINC000396699227 711364540 /nfs/dbraw/zinc/36/45/40/711364540.db2.gz KNZPIGFDCLPZOV-MNOVXSKESA-N 1 3 214.353 1.125 20 0 BDADHO CCSCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396688166 711364583 /nfs/dbraw/zinc/36/45/83/711364583.db2.gz YBJRIPNRBYGGDZ-WDEREUQCSA-N 1 3 216.394 1.860 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCCCCCO)C[C@H]1CN ZINC000397302712 711381452 /nfs/dbraw/zinc/38/14/52/711381452.db2.gz LDRXSKAWULCUKC-HZSPNIEDSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCCCCCO)C[C@H]1CN ZINC000397302712 711381455 /nfs/dbraw/zinc/38/14/55/711381455.db2.gz LDRXSKAWULCUKC-HZSPNIEDSA-N 1 3 242.407 1.844 20 0 BDADHO C([NH2+][C@H]1CC[C@H]2COCC[C@@H]2C1)C1CNC1 ZINC000723638326 711528984 /nfs/dbraw/zinc/52/89/84/711528984.db2.gz WKOMUAIPEFOPFO-AGIUHOORSA-N 1 3 224.348 1.001 20 0 BDADHO C1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CCN1 ZINC000723648564 711530391 /nfs/dbraw/zinc/53/03/91/711530391.db2.gz VROGWZWZKJEUOG-OUCADQQQSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1N ZINC000721910749 711694309 /nfs/dbraw/zinc/69/43/09/711694309.db2.gz YLSAMDBBCMMBOZ-RVMXOQNASA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1N ZINC000721910749 711694310 /nfs/dbraw/zinc/69/43/10/711694310.db2.gz YLSAMDBBCMMBOZ-RVMXOQNASA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1CN(C[C@H]2C[C@@H](OC)C2)CC[C@@H]1[NH3+] ZINC000721910749 711694311 /nfs/dbraw/zinc/69/43/11/711694311.db2.gz YLSAMDBBCMMBOZ-RVMXOQNASA-N 1 3 226.364 1.471 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CCCCCCO)C2 ZINC000310158597 711747930 /nfs/dbraw/zinc/74/79/30/711747930.db2.gz QSAYKEFYWOBZMX-KBPBESRZSA-N 1 3 240.391 1.600 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCCCCO)C2 ZINC000310158597 711747933 /nfs/dbraw/zinc/74/79/33/711747933.db2.gz QSAYKEFYWOBZMX-KBPBESRZSA-N 1 3 240.391 1.600 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000925787597 711751093 /nfs/dbraw/zinc/75/10/93/711751093.db2.gz YINVSHOXYYRVAD-UPJWGTAASA-N 1 3 238.375 1.533 20 0 BDADHO COC[C@@H](C[N@@H+]1CCC[C@H](CN)C1)C(C)C ZINC000721916466 711918706 /nfs/dbraw/zinc/91/87/06/711918706.db2.gz XMKTYMMDOILBNG-CHWSQXEVSA-N 1 3 228.380 1.576 20 0 BDADHO COC[C@@H](C[N@H+]1CCC[C@H](CN)C1)C(C)C ZINC000721916466 711918708 /nfs/dbraw/zinc/91/87/08/711918708.db2.gz XMKTYMMDOILBNG-CHWSQXEVSA-N 1 3 228.380 1.576 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@@H](C)N(C)C ZINC000700602500 712000441 /nfs/dbraw/zinc/00/04/41/712000441.db2.gz BJQNMGNIWMTQSW-UPJWGTAASA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCC(C)(O)CC1 ZINC000703603706 712082312 /nfs/dbraw/zinc/08/23/12/712082312.db2.gz FLWAUWVMWVNPBE-GMKTYKIGSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H]1COCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703892419 712092951 /nfs/dbraw/zinc/09/29/51/712092951.db2.gz AQSNINWSWBKJPP-WODVXLOZSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@H](O)CCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705667206 712135103 /nfs/dbraw/zinc/13/51/03/712135103.db2.gz IKKSPOONLWTSAF-BFHYXJOUSA-N 1 3 240.391 1.421 20 0 BDADHO CCN1CC[C@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706895338 712159669 /nfs/dbraw/zinc/15/96/69/712159669.db2.gz BTEQUBHOUSJMAG-VOMCLLRMSA-N 1 3 228.405 1.812 20 0 BDADHO Cc1ccccc1OCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708841596 712200642 /nfs/dbraw/zinc/20/06/42/712200642.db2.gz UFHSLZLURUIKSD-ZIAGYGMSSA-N 1 3 248.370 1.900 20 0 BDADHO C[C@@H](C(=O)NC1CC1)N(C)CCCCCC[NH3+] ZINC000710752261 712256753 /nfs/dbraw/zinc/25/67/53/712256753.db2.gz XZUUNQKKVPHACN-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711471728 712302925 /nfs/dbraw/zinc/30/29/25/712302925.db2.gz UWDUGUXLWWKJGH-NEPJUHHUSA-N 1 3 224.348 1.369 20 0 BDADHO CC[C@@H]1CN(CCOC2CC2)CC[C@H]1[NH3+] ZINC000711731117 712320277 /nfs/dbraw/zinc/32/02/77/712320277.db2.gz MAERFDKLNGBMDP-ZYHUDNBSSA-N 1 3 212.337 1.225 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCCCCC1 ZINC000383671240 712383860 /nfs/dbraw/zinc/38/38/60/712383860.db2.gz OGDIYBWNRDZEAW-CQSZACIVSA-N 1 3 242.407 1.954 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCCCCC1 ZINC000383671240 712383861 /nfs/dbraw/zinc/38/38/61/712383861.db2.gz OGDIYBWNRDZEAW-CQSZACIVSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712437757 712429782 /nfs/dbraw/zinc/42/97/82/712429782.db2.gz KMTXIOMAPWBPQT-OLZOCXBDSA-N 1 3 238.375 1.759 20 0 BDADHO C(CN1CC[NH2+]CCC12CCC2)[C@@H]1CCCO1 ZINC000713219047 712455217 /nfs/dbraw/zinc/45/52/17/712455217.db2.gz XEEPRVLJJVERCB-ZDUSSCGKSA-N 1 3 238.375 1.774 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714845495 712501942 /nfs/dbraw/zinc/50/19/42/712501942.db2.gz IFAQCISDUFCEKY-SYQHCUMBSA-N 1 3 220.360 1.574 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000715509654 712524264 /nfs/dbraw/zinc/52/42/64/712524264.db2.gz NWCWXGUUHZIJIW-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNc1cc(C)nc(N)n1 ZINC000221241192 712658601 /nfs/dbraw/zinc/65/86/01/712658601.db2.gz VUGYCKOODKSNNW-SNVBAGLBSA-N 1 3 237.351 1.509 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNc1cc(C)nc(N)n1 ZINC000221241192 712658602 /nfs/dbraw/zinc/65/86/02/712658602.db2.gz VUGYCKOODKSNNW-SNVBAGLBSA-N 1 3 237.351 1.509 20 0 BDADHO CCC[C@@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145235 712827684 /nfs/dbraw/zinc/82/76/84/712827684.db2.gz WBHBHZYZMQHVDI-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720870794 712872102 /nfs/dbraw/zinc/87/21/02/712872102.db2.gz LPTZYMWRLUTZQS-IGQOVBAYSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@H](C[NH2+][C@H](C)C(C)(C)CO)CN(C)C ZINC000926473597 959274538 /nfs/dbraw/zinc/27/45/38/959274538.db2.gz MBSNQVGTFFPSKX-GHMZBOCLSA-N 1 3 216.369 1.181 20 0 BDADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000698774728 965498429 /nfs/dbraw/zinc/49/84/29/965498429.db2.gz MLTLMTXRILUAKD-GUDRVLHUSA-N 1 3 248.317 1.468 20 0 BDADHO C[C@H](CC[N@@H+]1C[C@H](N)C[C@@H](O)C1)CC(C)(C)C ZINC001204955965 967255215 /nfs/dbraw/zinc/25/52/15/967255215.db2.gz MPEHMYGEKKQPSI-JHJVBQTASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](CC[N@H+]1C[C@H](N)C[C@@H](O)C1)CC(C)(C)C ZINC001204955965 967255224 /nfs/dbraw/zinc/25/52/24/967255224.db2.gz MPEHMYGEKKQPSI-JHJVBQTASA-N 1 3 242.407 1.843 20 0 BDADHO [NH3+]C[C@H]1CN(CCCC2CCCCC2)C[C@@H]1O ZINC001206506801 968347885 /nfs/dbraw/zinc/34/78/85/968347885.db2.gz QIWGBMPDQRCERX-KBPBESRZSA-N 1 3 240.391 1.598 20 0 BDADHO NC[C@H]1C[N@H+](CCCC2CCCCC2)C[C@@H]1O ZINC001206506801 968347893 /nfs/dbraw/zinc/34/78/93/968347893.db2.gz QIWGBMPDQRCERX-KBPBESRZSA-N 1 3 240.391 1.598 20 0 BDADHO NC[C@H]1C[N@@H+](CCCC2CCCCC2)C[C@@H]1O ZINC001206506801 968347902 /nfs/dbraw/zinc/34/79/02/968347902.db2.gz QIWGBMPDQRCERX-KBPBESRZSA-N 1 3 240.391 1.598 20 0 BDADHO C[C@H](CC[N@@H+]1C[C@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206511841 968343248 /nfs/dbraw/zinc/34/32/48/968343248.db2.gz DKNSNPCGUNRRFR-AGIUHOORSA-N 1 3 242.407 1.700 20 0 BDADHO C[C@H](CC[N@H+]1C[C@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206511841 968343259 /nfs/dbraw/zinc/34/32/59/968343259.db2.gz DKNSNPCGUNRRFR-AGIUHOORSA-N 1 3 242.407 1.700 20 0 BDADHO Cc1ccc(CN2CCCC[C@@H](C[NH3+])C2)[nH]1 ZINC001206616938 968419328 /nfs/dbraw/zinc/41/93/28/968419328.db2.gz URRPJHZMTKTKKU-LBPRGKRZSA-N 1 3 221.348 1.884 20 0 BDADHO CCCC[C@@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252093978 968575081 /nfs/dbraw/zinc/57/50/81/968575081.db2.gz KWZBDDNFFUTDHO-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CCCC[C@@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001252093978 968575091 /nfs/dbraw/zinc/57/50/91/968575091.db2.gz KWZBDDNFFUTDHO-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1C[C@H](C)C[NH+](CCCNCC(C)(C)O)C1 ZINC001252365501 968645943 /nfs/dbraw/zinc/64/59/43/968645943.db2.gz WNTUVAOKEIFNMH-STQMWFEESA-N 1 3 242.407 1.715 20 0 BDADHO CN(C)CC(C)(C)C[N@@H+]1CCCOCC1 ZINC001207275242 968705822 /nfs/dbraw/zinc/70/58/22/968705822.db2.gz LCMQSYCRXOAJFB-UHFFFAOYSA-N 1 3 214.353 1.297 20 0 BDADHO CN(C)CC(C)(C)C[N@H+]1CCCOCC1 ZINC001207275242 968705826 /nfs/dbraw/zinc/70/58/26/968705826.db2.gz LCMQSYCRXOAJFB-UHFFFAOYSA-N 1 3 214.353 1.297 20 0 BDADHO COCOCCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001209032391 969326022 /nfs/dbraw/zinc/32/60/22/969326022.db2.gz SOVATWMGPNFUGY-CYBMUJFWSA-N 1 3 242.363 1.025 20 0 BDADHO COCOCCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001209032391 969326024 /nfs/dbraw/zinc/32/60/24/969326024.db2.gz SOVATWMGPNFUGY-CYBMUJFWSA-N 1 3 242.363 1.025 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)N(C)C[C@H](C)C[NH3+] ZINC001169446442 969634417 /nfs/dbraw/zinc/63/44/17/969634417.db2.gz IPNIJAGYMFSZLK-NEPJUHHUSA-N 1 3 243.395 1.160 20 0 BDADHO COC(C[N@H+](C)[C@H]1CCCN(C)CC1)OC ZINC001254525159 969712834 /nfs/dbraw/zinc/71/28/34/969712834.db2.gz GUYXBNVFVMLHBH-NSHDSACASA-N 1 3 230.352 1.021 20 0 BDADHO COC(C[N@@H+](C)[C@H]1CCCN(C)CC1)OC ZINC001254525159 969712840 /nfs/dbraw/zinc/71/28/40/969712840.db2.gz GUYXBNVFVMLHBH-NSHDSACASA-N 1 3 230.352 1.021 20 0 BDADHO CN1CC[N@@H+]([C@@H]2CCCN(C)CC2)CC1(C)C ZINC001254525746 969719043 /nfs/dbraw/zinc/71/90/43/969719043.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CC[N@H+]([C@@H]2CCCN(C)CC2)CC1(C)C ZINC001254525746 969719048 /nfs/dbraw/zinc/71/90/48/969719048.db2.gz LUJHUKDNRFOLFV-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CCCCN(C)CCC[NH2+]C1CCOCC1 ZINC001255030923 969855171 /nfs/dbraw/zinc/85/51/71/969855171.db2.gz ZJYPVKMKKFIWLO-UHFFFAOYSA-N 1 3 228.380 1.877 20 0 BDADHO CCC[N@H+](CCCN)C1CCSCC1 ZINC001255080429 969872469 /nfs/dbraw/zinc/87/24/69/969872469.db2.gz PGRBVUWTEKPYMH-UHFFFAOYSA-N 1 3 216.394 1.943 20 0 BDADHO CCC[N@@H+](CCCN)C1CCSCC1 ZINC001255080429 969872470 /nfs/dbraw/zinc/87/24/70/969872470.db2.gz PGRBVUWTEKPYMH-UHFFFAOYSA-N 1 3 216.394 1.943 20 0 BDADHO C[N@@H+]1CCC[C@@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255487778 970238903 /nfs/dbraw/zinc/23/89/03/970238903.db2.gz VJWWTPFMBDANNO-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO C[N@H+]1CCC[C@@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255487778 970238922 /nfs/dbraw/zinc/23/89/22/970238922.db2.gz VJWWTPFMBDANNO-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@@H](O)C1CC1 ZINC001255949994 970583933 /nfs/dbraw/zinc/58/39/33/970583933.db2.gz DOQAPAAOPPONEM-WCQYABFASA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC001255949994 970583937 /nfs/dbraw/zinc/58/39/37/970583937.db2.gz DOQAPAAOPPONEM-WCQYABFASA-N 1 3 228.380 1.467 20 0 BDADHO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)C2CC2)C12CCC2 ZINC001336051177 977455445 /nfs/dbraw/zinc/45/54/45/977455445.db2.gz NHDZLLOVCRIHIN-FRRDWIJNSA-N 1 3 238.375 1.220 20 0 BDADHO CC1(C)[NH2+]C[C@@H](CN2CC3CCC2CC3)O1 ZINC001235887876 979180872 /nfs/dbraw/zinc/18/08/72/979180872.db2.gz JDNKJZVKLBTWPF-MCIGGMRASA-N 1 3 224.348 1.585 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2c[nH]cn2)CC1 ZINC001205545664 980947918 /nfs/dbraw/zinc/94/79/18/980947918.db2.gz LJYUGRUFHMJISR-NSHDSACASA-N 1 3 226.299 1.063 20 0 BDADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543609 972599205 /nfs/dbraw/zinc/59/92/05/972599205.db2.gz UYSXYBCGUWJJJO-RWMBFGLXSA-N 1 3 226.364 1.757 20 0 BDADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543609 972599217 /nfs/dbraw/zinc/59/92/17/972599217.db2.gz UYSXYBCGUWJJJO-RWMBFGLXSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@H]1C[N@H+]([C@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001246544673 972606829 /nfs/dbraw/zinc/60/68/29/972606829.db2.gz YAMZXALAQFNKNP-TUAOUCFPSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H]1COCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256621875 970886580 /nfs/dbraw/zinc/88/65/80/970886580.db2.gz ASGGRXGJFFICMH-HABKJSAYSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@H]1COCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256621875 970886585 /nfs/dbraw/zinc/88/65/85/970886585.db2.gz ASGGRXGJFFICMH-HABKJSAYSA-N 1 3 238.375 1.580 20 0 BDADHO [NH3+]C[C@@H]1CN(CC2CCC2)CCC1(F)F ZINC000403248231 970898012 /nfs/dbraw/zinc/89/80/12/970898012.db2.gz RRUGAAGZCATUAI-SNVBAGLBSA-N 1 3 218.291 1.702 20 0 BDADHO NCc1ccnn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894373 971016646 /nfs/dbraw/zinc/01/66/46/971016646.db2.gz HUPYEJZHONNQKN-CQSZACIVSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1ccnn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894373 971016659 /nfs/dbraw/zinc/01/66/59/971016659.db2.gz HUPYEJZHONNQKN-CQSZACIVSA-N 1 3 248.374 1.921 20 0 BDADHO CCOC(=O)[C@H]1CC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001257048300 971072383 /nfs/dbraw/zinc/07/23/83/971072383.db2.gz UCRRSLXKCVIGKF-FIQHERPVSA-N 1 3 240.347 1.188 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001257048302 971075058 /nfs/dbraw/zinc/07/50/58/971075058.db2.gz UCRRSLXKCVIGKF-WISYIIOYSA-N 1 3 240.347 1.188 20 0 BDADHO Cc1cc(CN)nn1C1CC[NH+](C(C)C)CC1 ZINC001257205068 971123581 /nfs/dbraw/zinc/12/35/81/971123581.db2.gz WLRGROMTWWMMPM-UHFFFAOYSA-N 1 3 236.363 1.696 20 0 BDADHO CCC(CC)[NH+](CCN(C)C)CCN(C)C ZINC001257300648 971189404 /nfs/dbraw/zinc/18/94/04/971189404.db2.gz YGWOAEAUWVNRCU-UHFFFAOYSA-N 1 3 229.412 1.600 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405218443 971208269 /nfs/dbraw/zinc/20/82/69/971208269.db2.gz AEUIBLAVLUQPBG-GRYCIOLGSA-N 1 3 224.348 1.271 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405218443 971208277 /nfs/dbraw/zinc/20/82/77/971208277.db2.gz AEUIBLAVLUQPBG-GRYCIOLGSA-N 1 3 224.348 1.271 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)C(C)C ZINC000405214805 971209781 /nfs/dbraw/zinc/20/97/81/971209781.db2.gz JPKWJFKNCINXJB-WOPDTQHZSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405214805 971209785 /nfs/dbraw/zinc/20/97/85/971209785.db2.gz JPKWJFKNCINXJB-WOPDTQHZSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@H]([NH2+][C@H]1C[C@@H](N)C12CCC2)C(C)(C)O ZINC000405226907 971213850 /nfs/dbraw/zinc/21/38/50/971213850.db2.gz DNSLWPOYUXSLCK-VWYCJHECSA-N 1 3 226.364 1.395 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCC2(O)CCC2)C12CCC2 ZINC000405299742 971233786 /nfs/dbraw/zinc/23/37/86/971233786.db2.gz ITVJWORILYGEBO-WDEREUQCSA-N 1 3 224.348 1.151 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCN2CC=CCC2)C12CCC2 ZINC000405335835 971235536 /nfs/dbraw/zinc/23/55/36/971235536.db2.gz ZFTAWSBLVQOFEY-OLZOCXBDSA-N 1 3 235.375 1.108 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405351474 971242905 /nfs/dbraw/zinc/24/29/05/971242905.db2.gz OKTGMWMTTPZUKO-WDEREUQCSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCC2=CCOCC2)C12CCC2 ZINC000405411358 971256702 /nfs/dbraw/zinc/25/67/02/971256702.db2.gz ULAGDIOAHFKMQN-VXGBXAGGSA-N 1 3 222.332 1.193 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411358 971256706 /nfs/dbraw/zinc/25/67/06/971256706.db2.gz ULAGDIOAHFKMQN-VXGBXAGGSA-N 1 3 222.332 1.193 20 0 BDADHO CCc1ccc(-c2nnc(C[C@@H]([NH3+])CN)o2)cc1 ZINC001217724853 971365833 /nfs/dbraw/zinc/36/58/33/971365833.db2.gz UVZZTAINMKKATJ-LLVKDONJSA-N 1 3 246.314 1.128 20 0 BDADHO C[C@H](OC[C@H]1COC(C)(C)N1)C1CC[NH2+]CC1 ZINC001217777533 971398898 /nfs/dbraw/zinc/39/88/98/971398898.db2.gz LMSQZBUYLOEAQV-JQWIXIFHSA-N 1 3 242.363 1.116 20 0 BDADHO C[NH2+][C@H]1CC[C@H](OC[C@@H]2COC(C)(C)N2)CC1 ZINC001217823805 971420206 /nfs/dbraw/zinc/42/02/06/971420206.db2.gz HRIGRMFIHWORSV-IJLUTSLNSA-N 1 3 242.363 1.258 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@](C)(O)C2)CC1 ZINC001258003052 971553968 /nfs/dbraw/zinc/55/39/68/971553968.db2.gz WHDUBBNRRNHIHS-HDJSIYSDSA-N 1 3 240.391 1.610 20 0 BDADHO c1cc2c(c(OC3CC4(C3)CC[NH2+]C4)c1)CNC2 ZINC001218063636 971595003 /nfs/dbraw/zinc/59/50/03/971595003.db2.gz LFWRFPHLCWITFY-UHFFFAOYSA-N 1 3 244.338 1.811 20 0 BDADHO c1cc2c(c(O[C@H]3CC[C@@]34CC[NH2+]C4)c1)CNC2 ZINC001218119663 971603135 /nfs/dbraw/zinc/60/31/35/971603135.db2.gz RJBDTFAIJDJTCT-GJZGRUSLSA-N 1 3 244.338 1.811 20 0 BDADHO CN(C)CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172099473 974339735 /nfs/dbraw/zinc/33/97/35/974339735.db2.gz IGCUJBNSOKVXGQ-CLLJXQQHSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729755 971671264 /nfs/dbraw/zinc/67/12/64/971671264.db2.gz GJDWLBIQLYBQJX-KKOKHZNYSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729755 971671268 /nfs/dbraw/zinc/67/12/68/971671268.db2.gz GJDWLBIQLYBQJX-KKOKHZNYSA-N 1 3 210.365 1.948 20 0 BDADHO CCC[N@H+](CCCN)[C@H]1CCCOCC1 ZINC001170776843 971805564 /nfs/dbraw/zinc/80/55/64/971805564.db2.gz VYNPMDMUFUXPNL-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCC[N@@H+](CCCN)[C@H]1CCCOCC1 ZINC001170776843 971805567 /nfs/dbraw/zinc/80/55/67/971805567.db2.gz VYNPMDMUFUXPNL-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO Cc1ccc(O)c(CN2CCCC[C@H](C[NH3+])C2)n1 ZINC000311235058 971993792 /nfs/dbraw/zinc/99/37/92/971993792.db2.gz SRVLNQSRZULABU-GFCCVEGCSA-N 1 3 249.358 1.656 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc(N2CCCC2)nc1 ZINC001170898102 972057119 /nfs/dbraw/zinc/05/71/19/972057119.db2.gz BPJUFILAZXQZOL-GFCCVEGCSA-N 1 3 249.362 1.117 20 0 BDADHO Cn1cnc2ccc(N[C@@H](N)CCC[NH3+])cc21 ZINC001170899737 972064649 /nfs/dbraw/zinc/06/46/49/972064649.db2.gz MBRJNXRYIHLHRF-GFCCVEGCSA-N 1 3 233.319 1.009 20 0 BDADHO Cc1cc2nccn2cc1N[C@@H](N)CCC[NH3+] ZINC001170899876 972066302 /nfs/dbraw/zinc/06/63/02/972066302.db2.gz MVPAXPVQXVRJLV-LLVKDONJSA-N 1 3 233.319 1.078 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1cccc2c1CCCO2 ZINC001170902060 972075403 /nfs/dbraw/zinc/07/54/03/972075403.db2.gz ANLXKJZIOPXNPL-CYBMUJFWSA-N 1 3 235.331 1.447 20 0 BDADHO Cc1cn(C)c2ccc(N[C@@H](N)CCC[NH3+])cc12 ZINC001170905060 972081018 /nfs/dbraw/zinc/08/10/18/972081018.db2.gz QVVLRWGBFXURLJ-CQSZACIVSA-N 1 3 246.358 1.922 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001246025832 972118815 /nfs/dbraw/zinc/11/88/15/972118815.db2.gz UUIIYEYNIARZEN-BPLDGKMQSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001246025832 972118821 /nfs/dbraw/zinc/11/88/21/972118821.db2.gz UUIIYEYNIARZEN-BPLDGKMQSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246089865 972144236 /nfs/dbraw/zinc/14/42/36/972144236.db2.gz CAHRANNIXDARLX-QCNOEVLYSA-N 1 3 214.328 1.855 20 0 BDADHO COCC(C)(C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246177274 972208186 /nfs/dbraw/zinc/20/81/86/972208186.db2.gz IBJSMGONHBTQRY-VHSXEESVSA-N 1 3 200.326 1.142 20 0 BDADHO COCC(C)(C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246177274 972208191 /nfs/dbraw/zinc/20/81/91/972208191.db2.gz IBJSMGONHBTQRY-VHSXEESVSA-N 1 3 200.326 1.142 20 0 BDADHO CN1CC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001208688317 957128583 /nfs/dbraw/zinc/12/85/83/957128583.db2.gz MDPWUYRCZVCAFI-UHFFFAOYSA-N 1 3 208.349 1.814 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cccnn3)C2)CC1 ZINC001139971242 957176455 /nfs/dbraw/zinc/17/64/55/957176455.db2.gz DTADGIJWYWYFKD-UHFFFAOYSA-N 1 3 246.358 1.394 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278973 972253085 /nfs/dbraw/zinc/25/30/85/972253085.db2.gz COYPDEQGTCYBIX-MRVWCRGKSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)CCN1 ZINC001246278973 972253092 /nfs/dbraw/zinc/25/30/92/972253092.db2.gz COYPDEQGTCYBIX-MRVWCRGKSA-N 1 3 240.391 1.658 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H](NCC[C@H](C)[NH3+])C1 ZINC001246307614 972269904 /nfs/dbraw/zinc/26/99/04/972269904.db2.gz ZJOFHXHOAPFIBB-HBNTYKKESA-N 1 3 228.336 1.045 20 0 BDADHO C[C@@H]1CC[C@H](N[C@]2(C)CCCN(C)C2)C[NH2+]1 ZINC001246464688 972340840 /nfs/dbraw/zinc/34/08/40/972340840.db2.gz SNIAJACDFCIFSS-FRRDWIJNSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H]1CC[C@H](NCCN2CCCCC2)C[NH2+]1 ZINC000399016547 958483896 /nfs/dbraw/zinc/48/38/96/958483896.db2.gz CJQIUPFPLHVUNT-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO OCCN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222155291 972397958 /nfs/dbraw/zinc/39/79/58/972397958.db2.gz ZHPAAIMLQFNGAW-CYBMUJFWSA-N 1 3 226.364 1.225 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCCC2)C12CCC2 ZINC000405496697 959453039 /nfs/dbraw/zinc/45/30/39/959453039.db2.gz QBLJHPPPZDJIAJ-JHJVBQTASA-N 1 3 238.375 1.397 20 0 BDADHO CCSC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246530864 972436766 /nfs/dbraw/zinc/43/67/66/972436766.db2.gz OOWWVOZOEHXRQF-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO CCSC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246530864 972436773 /nfs/dbraw/zinc/43/67/73/972436773.db2.gz OOWWVOZOEHXRQF-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO NCC(C[NH3+])NCc1cccc(C(F)(F)F)c1 ZINC000695339121 960203831 /nfs/dbraw/zinc/20/38/31/960203831.db2.gz BLKPGCMCTHXSLW-UHFFFAOYSA-N 1 3 247.264 1.081 20 0 BDADHO C[C@H](C[C@H](C)O)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925633262 960482692 /nfs/dbraw/zinc/48/26/92/960482692.db2.gz CTTMYWIZPOICRR-FHUSYTEZSA-N 1 3 240.391 1.512 20 0 BDADHO C[C@H](C[C@H](C)O)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925633262 960482700 /nfs/dbraw/zinc/48/27/00/960482700.db2.gz CTTMYWIZPOICRR-FHUSYTEZSA-N 1 3 240.391 1.512 20 0 BDADHO CCSCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709392588 960555319 /nfs/dbraw/zinc/55/53/19/960555319.db2.gz QNXZAEROFRFRIF-ZACCUICWSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1[C@@H]1CC2CCN(CC2)C1 ZINC001246537634 972512341 /nfs/dbraw/zinc/51/23/41/972512341.db2.gz JDCUQHODPSEMTQ-FPMFFAJLSA-N 1 3 237.391 1.282 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1[C@@H]1CC2CCN(CC2)C1 ZINC001246537634 972512356 /nfs/dbraw/zinc/51/23/56/972512356.db2.gz JDCUQHODPSEMTQ-FPMFFAJLSA-N 1 3 237.391 1.282 20 0 BDADHO CCCCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491638 972516394 /nfs/dbraw/zinc/51/63/94/972516394.db2.gz FYOLOFHGTNNLCR-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO CSC1CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC000709449028 960610995 /nfs/dbraw/zinc/61/09/95/960610995.db2.gz NLTMKUFCDZGYFI-GHMZBOCLSA-N 1 3 228.405 1.954 20 0 BDADHO CSC1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000709449028 960611004 /nfs/dbraw/zinc/61/10/04/960611004.db2.gz NLTMKUFCDZGYFI-GHMZBOCLSA-N 1 3 228.405 1.954 20 0 BDADHO CSC1CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 ZINC000709449032 960612490 /nfs/dbraw/zinc/61/24/90/960612490.db2.gz NLTMKUFCDZGYFI-WDEREUQCSA-N 1 3 228.405 1.954 20 0 BDADHO CSC1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000709449032 960612506 /nfs/dbraw/zinc/61/25/06/960612506.db2.gz NLTMKUFCDZGYFI-WDEREUQCSA-N 1 3 228.405 1.954 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(O)CC2)CCN1 ZINC000709492792 960628675 /nfs/dbraw/zinc/62/86/75/960628675.db2.gz CPLOXASMGQDDCM-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(O)CC2)CCN1 ZINC000709492792 960628680 /nfs/dbraw/zinc/62/86/80/960628680.db2.gz CPLOXASMGQDDCM-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO Cc1ncoc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001141053713 960844213 /nfs/dbraw/zinc/84/42/13/960844213.db2.gz MPIHHXMJFLKZGL-UHFFFAOYSA-N 1 3 249.358 1.901 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000724388428 961365536 /nfs/dbraw/zinc/36/55/36/961365536.db2.gz JXABGDJTPCDKSJ-UJPOAAIJSA-N 1 3 226.364 1.469 20 0 BDADHO C[C@H](C[NH2+][C@H]1COC[C@H]1C)CN1CCCC1 ZINC000688048780 962842260 /nfs/dbraw/zinc/84/22/60/962842260.db2.gz OSCARCIJPOCHAH-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](CN[C@H]1COC[C@H]1C)C[NH+]1CCCC1 ZINC000688048780 962842266 /nfs/dbraw/zinc/84/22/66/962842266.db2.gz OSCARCIJPOCHAH-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](CN(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000714003610 963573002 /nfs/dbraw/zinc/57/30/02/963573002.db2.gz WKQZYDKUPPMYIT-RLAWYHOSSA-N 1 3 239.407 1.541 20 0 BDADHO CN(C)c1cccc(NC2(C)CC[NH2+]CC2)n1 ZINC001157396839 963594027 /nfs/dbraw/zinc/59/40/27/963594027.db2.gz IWFFHEKWFNAEFU-UHFFFAOYSA-N 1 3 234.347 1.702 20 0 BDADHO Cc1cnc(N2C[C@@H](C)[NH2+][C@H](C)C2)cc1N ZINC001158176487 963821191 /nfs/dbraw/zinc/82/11/91/963821191.db2.gz GCBGNFKHURXUFZ-NXEZZACHSA-N 1 3 220.320 1.159 20 0 BDADHO CCN1CCN(c2cc(N)cc[nH+]2)C(C)(C)C1 ZINC001158560454 963886089 /nfs/dbraw/zinc/88/60/89/963886089.db2.gz CHDISNKRPAXUIS-UHFFFAOYSA-N 1 3 234.347 1.584 20 0 BDADHO CC1(Nc2cccc(CN)n2)CC[NH2+]CC1 ZINC001168187437 963944774 /nfs/dbraw/zinc/94/47/74/963944774.db2.gz BIAILRVUSNEAFX-UHFFFAOYSA-N 1 3 220.320 1.094 20 0 BDADHO COc1ccc2c(c1)C[C@@H](N(C)C[C@@H](C)C[NH3+])C2 ZINC001168245323 964052574 /nfs/dbraw/zinc/05/25/74/964052574.db2.gz WRQWEKDRFNNRFM-FZMZJTMJSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@H+](C)C[C@@H](C)CN)C2 ZINC001168245323 964052586 /nfs/dbraw/zinc/05/25/86/964052586.db2.gz WRQWEKDRFNNRFM-FZMZJTMJSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@@H+](C)C[C@@H](C)CN)C2 ZINC001168245323 964052601 /nfs/dbraw/zinc/05/26/01/964052601.db2.gz WRQWEKDRFNNRFM-FZMZJTMJSA-N 1 3 248.370 1.689 20 0 BDADHO Cc1cc(C)nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159489119 964110923 /nfs/dbraw/zinc/11/09/23/964110923.db2.gz JRUSPLZSYIJIPM-RYUDHWBXSA-N 1 3 235.331 1.487 20 0 BDADHO C[C@@H](Nc1cc2[nH]ccc2c[nH+]1)[C@H]1CNCCO1 ZINC001159488283 964110989 /nfs/dbraw/zinc/11/09/89/964110989.db2.gz BONGVLZUEYKGPL-BXKDBHETSA-N 1 3 246.314 1.352 20 0 BDADHO Cc1cc(C)nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159489117 964111520 /nfs/dbraw/zinc/11/15/20/964111520.db2.gz JRUSPLZSYIJIPM-NEPJUHHUSA-N 1 3 235.331 1.487 20 0 BDADHO CN(CC1CCCCC1)C(=O)[C@H](N)CCC[NH3+] ZINC001160713636 964399555 /nfs/dbraw/zinc/39/95/55/964399555.db2.gz ISIGFKNUGSDDFH-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCO1 ZINC001168356439 964512559 /nfs/dbraw/zinc/51/25/59/964512559.db2.gz RWCDXPHRHJBTQY-CYBMUJFWSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@@H](COC)NCC[C@@H](C)[NH+](C)C ZINC000697871881 964599245 /nfs/dbraw/zinc/59/92/45/964599245.db2.gz PNEYPHORDIZWCQ-MNOVXSKESA-N 1 3 202.342 1.341 20 0 BDADHO C[C@@]1(NC2CC[NH+](CC3CC3)CC2)CCOC1 ZINC001168369021 964886044 /nfs/dbraw/zinc/88/60/44/964886044.db2.gz TWBBMBFOVIYFMJ-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO NCc1cn(-c2ccc([C@H]3CCC[NH2+]3)cn2)cn1 ZINC001162296980 964914547 /nfs/dbraw/zinc/91/45/47/964914547.db2.gz SACHEJDWJZRDKI-GFCCVEGCSA-N 1 3 243.314 1.151 20 0 BDADHO C1=C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000698205075 965108339 /nfs/dbraw/zinc/10/83/39/965108339.db2.gz NMYDZAAWFJFNCH-RWMBFGLXSA-N 1 3 206.333 1.921 20 0 BDADHO C1=C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000698205075 965108348 /nfs/dbraw/zinc/10/83/48/965108348.db2.gz NMYDZAAWFJFNCH-RWMBFGLXSA-N 1 3 206.333 1.921 20 0 BDADHO Cc1cc(C)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001162790818 965175612 /nfs/dbraw/zinc/17/56/12/965175612.db2.gz WCGXSBGBKKOSSL-RWMBFGLXSA-N 1 3 229.327 1.884 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715176506 965770785 /nfs/dbraw/zinc/77/07/85/965770785.db2.gz DZMJOJRMFKERAZ-AVGNSLFASA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC001168465164 965805734 /nfs/dbraw/zinc/80/57/34/965805734.db2.gz PKSWMNCVIMNELF-GHMZBOCLSA-N 1 3 224.323 1.941 20 0 BDADHO [NH3+][C@@H]1CCN(c2c[nH]cc3ccnc2-3)C1 ZINC001164281838 965826483 /nfs/dbraw/zinc/82/64/83/965826483.db2.gz OSEWETZAIVSDNY-SECBINFHSA-N 1 3 202.261 1.100 20 0 BDADHO CN(C)Cc1ccnc(N(C)C[C@@H]2CC[NH2+]C2)c1 ZINC001165125919 965969353 /nfs/dbraw/zinc/96/93/53/965969353.db2.gz SNJPOKSHEKQNOJ-CYBMUJFWSA-N 1 3 248.374 1.189 20 0 BDADHO C[C@@H]1COC[C@H]1NCC[C@@H]1CCCC[N@@H+]1C ZINC000699742071 966052899 /nfs/dbraw/zinc/05/28/99/966052899.db2.gz KUNPUXJKZQZATL-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1COC[C@H]1NCC[C@@H]1CCCC[N@H+]1C ZINC000699742071 966052916 /nfs/dbraw/zinc/05/29/16/966052916.db2.gz KUNPUXJKZQZATL-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1COC[C@@H]1NCC[C@H]1CCCC[N@@H+]1C ZINC000699742073 966055080 /nfs/dbraw/zinc/05/50/80/966055080.db2.gz KUNPUXJKZQZATL-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1COC[C@@H]1NCC[C@H]1CCCC[N@H+]1C ZINC000699742073 966055096 /nfs/dbraw/zinc/05/50/96/966055096.db2.gz KUNPUXJKZQZATL-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CCC[C@H]3[NH2+]C[C@H]32)n1 ZINC001165390226 966084151 /nfs/dbraw/zinc/08/41/51/966084151.db2.gz DDZRSYLHYIGKGJ-DGCLKSJQSA-N 1 3 242.326 1.812 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc(CCO)cc2)CC1 ZINC001205116669 967367249 /nfs/dbraw/zinc/36/72/49/967367249.db2.gz GDGJJXYQFJKDTR-HNNXBMFYSA-N 1 3 248.370 1.535 20 0 BDADHO Cc1cccc(CC[N@H+]2CC[C@@H](N)[C@H]2C)c1 ZINC001205171464 967412483 /nfs/dbraw/zinc/41/24/83/967412483.db2.gz RTXIQWCWXISPFN-TZMCWYRMSA-N 1 3 218.344 1.959 20 0 BDADHO Cc1cccc(CC[N@@H+]2CC[C@@H](N)[C@H]2C)c1 ZINC001205171464 967412487 /nfs/dbraw/zinc/41/24/87/967412487.db2.gz RTXIQWCWXISPFN-TZMCWYRMSA-N 1 3 218.344 1.959 20 0 BDADHO C[NH2+]CCCNCCc1ccc(F)cc1F ZINC000163333906 967637074 /nfs/dbraw/zinc/63/70/74/967637074.db2.gz ORGRPFWVNQEGIY-UHFFFAOYSA-N 1 3 228.286 1.706 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2cnccn2)CC1 ZINC001205546245 967689194 /nfs/dbraw/zinc/68/91/94/967689194.db2.gz SSHJWQFHNFBNPG-GFCCVEGCSA-N 1 3 238.310 1.130 20 0 BDADHO C[C@@H]1CC[N@H+](Cc2cncc([O-])c2)CC[C@@H]1C[NH3+] ZINC001205639013 967736657 /nfs/dbraw/zinc/73/66/57/967736657.db2.gz UTDCVVVQFLZTHR-DGCLKSJQSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CC[N@@H+](Cc2cncc([O-])c2)CC[C@@H]1C[NH3+] ZINC001205639013 967736668 /nfs/dbraw/zinc/73/66/68/967736668.db2.gz UTDCVVVQFLZTHR-DGCLKSJQSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CN(Cc2ccn(C)n2)CCC[C@@H]1C[NH3+] ZINC001205996162 967949689 /nfs/dbraw/zinc/94/96/89/967949689.db2.gz VOHAPINWGRKFRN-VXGBXAGGSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@H]1CNCCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001206263018 968182357 /nfs/dbraw/zinc/18/23/57/968182357.db2.gz LMHCQFRUZFHTAH-LBPRGKRZSA-N 1 3 245.370 1.838 20 0 BDADHO C[C@H]1CNCCC[N@H+]1Cc1cccc2c1CCN2 ZINC001206263018 968182362 /nfs/dbraw/zinc/18/23/62/968182362.db2.gz LMHCQFRUZFHTAH-LBPRGKRZSA-N 1 3 245.370 1.838 20 0 BDADHO CN(C)c1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC001331821967 968256287 /nfs/dbraw/zinc/25/62/87/968256287.db2.gz OTNCYAZWYBCFQT-HUUCEWRRSA-N 1 3 247.386 1.765 20 0 BDADHO C[C@]1(CN)CCCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548156 968370920 /nfs/dbraw/zinc/37/09/20/968370920.db2.gz HQJBUOPRQMULEN-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@]1(CN)CCCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548156 968370929 /nfs/dbraw/zinc/37/09/29/968370929.db2.gz HQJBUOPRQMULEN-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001251974177 968413694 /nfs/dbraw/zinc/41/36/94/968413694.db2.gz WSMMCJCTEYTJOR-VIFPVBQESA-N 1 3 219.288 1.076 20 0 BDADHO CCCN(CCC[NH+](C)C)C[C@@H](O)COCC ZINC001252032244 968453435 /nfs/dbraw/zinc/45/34/35/968453435.db2.gz GQTATOKXCCLEMT-CYBMUJFWSA-N 1 3 246.395 1.048 20 0 BDADHO CCCC[C@H](O)CN(CC)CCC[NH+](C)C ZINC001252095563 968575499 /nfs/dbraw/zinc/57/54/99/968575499.db2.gz AEWHCFOXIAPXJK-ZDUSSCGKSA-N 1 3 230.396 1.811 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1cccc(=O)[nH]1)CC2 ZINC001207069307 968599659 /nfs/dbraw/zinc/59/96/59/968599659.db2.gz ANXRMJJEGAGMJV-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO CCCC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001252118737 968602936 /nfs/dbraw/zinc/60/29/36/968602936.db2.gz JZJJMEJXDCZPQB-RDBSUJKOSA-N 1 3 242.407 2.000 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@](C)(O)C1 ZINC001207286511 968691567 /nfs/dbraw/zinc/69/15/67/968691567.db2.gz VNYIOPULSLZFFN-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@]12C[C@@H](CO1)N(CC1CC[NH+](C)CC1)C2 ZINC001207399895 968750678 /nfs/dbraw/zinc/75/06/78/968750678.db2.gz YNNQWXWURMPCNX-KBPBESRZSA-N 1 3 238.375 1.582 20 0 BDADHO C(C1CC[NH2+]CC1)N1CC2(C1)CCCCO2 ZINC001207436221 968769750 /nfs/dbraw/zinc/76/97/50/968769750.db2.gz XZBVWZNJKOSPDK-UHFFFAOYSA-N 1 3 224.348 1.241 20 0 BDADHO FC1C[C@@H]2COC[C@H](C1)N2CC1CC[NH2+]CC1 ZINC001207439400 968773953 /nfs/dbraw/zinc/77/39/53/968773953.db2.gz SBTOZBDEQSPVLM-YHWZYXNKSA-N 1 3 242.338 1.187 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)[C@H]2C1 ZINC001207836538 968895269 /nfs/dbraw/zinc/89/52/69/968895269.db2.gz IYUFUFQXYOKIMD-LOVFCKMRSA-N 1 3 234.387 1.962 20 0 BDADHO COC1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001207836614 968896349 /nfs/dbraw/zinc/89/63/49/968896349.db2.gz KARBTFVSPVSBSF-RXDNMWQFSA-N 1 3 224.348 1.094 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001207963335 968960608 /nfs/dbraw/zinc/96/06/08/968960608.db2.gz GCDCQUDYLGXUOL-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CCN1C[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@@H]2C1 ZINC001207963335 968960617 /nfs/dbraw/zinc/96/06/17/968960617.db2.gz GCDCQUDYLGXUOL-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CCCCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253384022 969145966 /nfs/dbraw/zinc/14/59/66/969145966.db2.gz MEIFVWLAEOPLOF-LBPRGKRZSA-N 1 3 230.396 1.905 20 0 BDADHO CCCCCC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384022 969145971 /nfs/dbraw/zinc/14/59/71/969145971.db2.gz MEIFVWLAEOPLOF-LBPRGKRZSA-N 1 3 230.396 1.905 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1CCCC1 ZINC001253383797 969146533 /nfs/dbraw/zinc/14/65/33/969146533.db2.gz KMRSIFAUSFDNNL-LBPRGKRZSA-N 1 3 228.380 1.515 20 0 BDADHO Cc1ncn(-c2ccncc2)c1CSCC[NH3+] ZINC001168784532 969215215 /nfs/dbraw/zinc/21/52/15/969215215.db2.gz OHDUUYAVGCRSPR-UHFFFAOYSA-N 1 3 248.355 1.768 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CC[C@H]([NH3+])C2)n1 ZINC001156227139 969227145 /nfs/dbraw/zinc/22/71/45/969227145.db2.gz PSPYXZXNLDDFKB-VIFPVBQESA-N 1 3 216.288 1.409 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCCc3ccncc3)C[C@H]2C1 ZINC001209189095 969378295 /nfs/dbraw/zinc/37/82/95/969378295.db2.gz NNRLIDNUCDPODI-GASCZTMLSA-N 1 3 245.370 1.508 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCCc3ccncc3)C[C@H]2C1 ZINC001209189095 969378302 /nfs/dbraw/zinc/37/83/02/969378302.db2.gz NNRLIDNUCDPODI-GASCZTMLSA-N 1 3 245.370 1.508 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@](C)(O)C1)C2 ZINC001169097892 969393481 /nfs/dbraw/zinc/39/34/81/969393481.db2.gz DWJUISPRVOENSN-XXCSZPINSA-N 1 3 224.348 1.115 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@](C)(O)C1)C2 ZINC001169097892 969393485 /nfs/dbraw/zinc/39/34/85/969393485.db2.gz DWJUISPRVOENSN-XXCSZPINSA-N 1 3 224.348 1.115 20 0 BDADHO Cn1cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169081608 969404564 /nfs/dbraw/zinc/40/45/64/969404564.db2.gz UHJMZJRPSSAOCA-XYYAHUGASA-N 1 3 233.359 1.740 20 0 BDADHO C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125380 969426900 /nfs/dbraw/zinc/42/69/00/969426900.db2.gz HMHNDUAAMNJCKF-IGQOVBAYSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125380 969426908 /nfs/dbraw/zinc/42/69/08/969426908.db2.gz HMHNDUAAMNJCKF-IGQOVBAYSA-N 1 3 238.375 1.722 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3CC(C3)C1)C2 ZINC001169153655 969472284 /nfs/dbraw/zinc/47/22/84/969472284.db2.gz KTCZFQOJHNBXHS-TWASESMYSA-N 1 3 220.360 1.953 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209430013 969498545 /nfs/dbraw/zinc/49/85/45/969498545.db2.gz IYICIFHLGUBVEF-RQJABVFESA-N 1 3 222.376 1.916 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001209430013 969498551 /nfs/dbraw/zinc/49/85/51/969498551.db2.gz IYICIFHLGUBVEF-RQJABVFESA-N 1 3 222.376 1.916 20 0 BDADHO CSCC[N@H+](C)Cc1cnccc1N ZINC001209733159 969595988 /nfs/dbraw/zinc/59/59/88/969595988.db2.gz PUJYMJVSVWJYPB-UHFFFAOYSA-N 1 3 211.334 1.289 20 0 BDADHO CSCC[N@@H+](C)Cc1cnccc1N ZINC001209733159 969595991 /nfs/dbraw/zinc/59/59/91/969595991.db2.gz PUJYMJVSVWJYPB-UHFFFAOYSA-N 1 3 211.334 1.289 20 0 BDADHO CN(Cc1cnccc1N)CC1CC[NH+](C)CC1 ZINC001209734455 969598118 /nfs/dbraw/zinc/59/81/18/969598118.db2.gz PVXLMIMHVWDHDL-UHFFFAOYSA-N 1 3 248.374 1.268 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254386971 969604806 /nfs/dbraw/zinc/60/48/06/969604806.db2.gz WGOORRSKAJGELJ-GFCCVEGCSA-N 1 3 224.348 1.193 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001169446442 969634412 /nfs/dbraw/zinc/63/44/12/969634412.db2.gz IPNIJAGYMFSZLK-NEPJUHHUSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001169446442 969634408 /nfs/dbraw/zinc/63/44/08/969634408.db2.gz IPNIJAGYMFSZLK-NEPJUHHUSA-N 1 3 243.395 1.160 20 0 BDADHO Cc1cncc(C[NH2+][C@@H]2CCCN(C)CC2)c1 ZINC001254497846 969662476 /nfs/dbraw/zinc/66/24/76/969662476.db2.gz OIVHZAWVRIKAIA-CQSZACIVSA-N 1 3 233.359 1.964 20 0 BDADHO C[C@@H](N)c1nccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254832951 969796274 /nfs/dbraw/zinc/79/62/74/969796274.db2.gz KWRHMTXZONCQAJ-PWSUYJOCSA-N 1 3 234.347 1.560 20 0 BDADHO CC1(C)CC(NC2CC([NH3+])C2)CC(C)(C)N1O ZINC001169981272 969931928 /nfs/dbraw/zinc/93/19/28/969931928.db2.gz SGKBEFNFJLNCSD-UHFFFAOYSA-N 1 3 241.379 1.477 20 0 BDADHO C[N@@H+]1CC[C@H](N2CCN(C3CCCC3)CC2)C1 ZINC001255435253 970161338 /nfs/dbraw/zinc/16/13/38/970161338.db2.gz CMFRDSSYOXIPPJ-AWEZNQCLSA-N 1 3 237.391 1.251 20 0 BDADHO C[N@H+]1CC[C@H](N2CCN(C3CCCC3)CC2)C1 ZINC001255435253 970161343 /nfs/dbraw/zinc/16/13/43/970161343.db2.gz CMFRDSSYOXIPPJ-AWEZNQCLSA-N 1 3 237.391 1.251 20 0 BDADHO CC[NH+](CC)CC[C@H](C)n1nncc1CN ZINC001255945573 970564753 /nfs/dbraw/zinc/56/47/53/970564753.db2.gz GRNZYUMOOPYSJP-JTQLQIEISA-N 1 3 225.340 1.030 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)CO ZINC001255940714 970573751 /nfs/dbraw/zinc/57/37/51/970573751.db2.gz FRONEPMUOFOOBL-WDEREUQCSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CO ZINC001255940714 970573755 /nfs/dbraw/zinc/57/37/55/970573755.db2.gz FRONEPMUOFOOBL-WDEREUQCSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC(CO)C1 ZINC001255942069 970578091 /nfs/dbraw/zinc/57/80/91/970578091.db2.gz BTZLDEIDDZQBCT-PNESKVBLSA-N 1 3 228.380 1.467 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H](C)CC(=O)OC ZINC001255953184 970588699 /nfs/dbraw/zinc/58/86/99/970588699.db2.gz YJZBZEHDIZJXLD-VXGBXAGGSA-N 1 3 244.379 1.648 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001256211388 970721882 /nfs/dbraw/zinc/72/18/82/970721882.db2.gz VULIADGHULVSQF-AWEZNQCLSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@]2(CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001256211388 970721890 /nfs/dbraw/zinc/72/18/90/970721890.db2.gz VULIADGHULVSQF-AWEZNQCLSA-N 1 3 237.391 1.108 20 0 BDADHO C[C@H]1C[N@@H+]([C@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001246544673 972606818 /nfs/dbraw/zinc/60/68/18/972606818.db2.gz YAMZXALAQFNKNP-TUAOUCFPSA-N 1 3 226.364 1.471 20 0 BDADHO CC1(C)C[C@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246547445 972671279 /nfs/dbraw/zinc/67/12/79/972671279.db2.gz PQABBCIVICXZBW-VXGBXAGGSA-N 1 3 226.364 1.757 20 0 BDADHO CC1(C)C[C@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246547445 972671289 /nfs/dbraw/zinc/67/12/89/972671289.db2.gz PQABBCIVICXZBW-VXGBXAGGSA-N 1 3 226.364 1.757 20 0 BDADHO COC(=O)CC[C@H](C)N1CCC[C@](C)([NH3+])CC1 ZINC001246548322 972680762 /nfs/dbraw/zinc/68/07/62/972680762.db2.gz FXUDATRRRYWLJT-AAEUAGOBSA-N 1 3 242.363 1.531 20 0 BDADHO CCCC1CCC([N@@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246557217 972773297 /nfs/dbraw/zinc/77/32/97/972773297.db2.gz GMAGBYCCLNOJPG-NWINJMCUSA-N 1 3 240.391 1.739 20 0 BDADHO CCCC1CCC([N@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246557217 972773311 /nfs/dbraw/zinc/77/33/11/972773311.db2.gz GMAGBYCCLNOJPG-NWINJMCUSA-N 1 3 240.391 1.739 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246558758 972782649 /nfs/dbraw/zinc/78/26/49/972782649.db2.gz NOLDZASYWKXFNV-IJLUTSLNSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246558758 972782666 /nfs/dbraw/zinc/78/26/66/972782666.db2.gz NOLDZASYWKXFNV-IJLUTSLNSA-N 1 3 214.328 1.951 20 0 BDADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587239 972980522 /nfs/dbraw/zinc/98/05/22/972980522.db2.gz WITBRLAOQYTDDT-MJBXVCDLSA-N 1 3 242.407 1.843 20 0 BDADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587239 972980545 /nfs/dbraw/zinc/98/05/45/972980545.db2.gz WITBRLAOQYTDDT-MJBXVCDLSA-N 1 3 242.407 1.843 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001246588505 972989306 /nfs/dbraw/zinc/98/93/06/972989306.db2.gz QJLNWZGGLYYZQX-RWMBFGLXSA-N 1 3 243.370 1.232 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001246588505 972989322 /nfs/dbraw/zinc/98/93/22/972989322.db2.gz QJLNWZGGLYYZQX-RWMBFGLXSA-N 1 3 243.370 1.232 20 0 BDADHO CC(C)=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587559 972992235 /nfs/dbraw/zinc/99/22/35/972992235.db2.gz UUGQLNHHLVIMFV-RWMBFGLXSA-N 1 3 226.364 1.373 20 0 BDADHO CC(C)=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587559 972992240 /nfs/dbraw/zinc/99/22/40/972992240.db2.gz UUGQLNHHLVIMFV-RWMBFGLXSA-N 1 3 226.364 1.373 20 0 BDADHO CCCC[C@H](C)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246612691 973032640 /nfs/dbraw/zinc/03/26/40/973032640.db2.gz CJBJXEPSPAYEOV-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO CCCC[C@H](C)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246612691 973032654 /nfs/dbraw/zinc/03/26/54/973032654.db2.gz CJBJXEPSPAYEOV-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246769996 973091768 /nfs/dbraw/zinc/09/17/68/973091768.db2.gz MCQSAYOBCKQKOL-UHFZAUJKSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246769996 973091784 /nfs/dbraw/zinc/09/17/84/973091784.db2.gz MCQSAYOBCKQKOL-UHFZAUJKSA-N 1 3 212.312 1.559 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1(C)C ZINC000234859850 973772282 /nfs/dbraw/zinc/77/22/82/973772282.db2.gz KXZGWWQGVJBKRS-WISYIIOYSA-N 1 3 226.364 1.517 20 0 BDADHO CC1(C)C[C@@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246998474 973796138 /nfs/dbraw/zinc/79/61/38/973796138.db2.gz XHASJDNJJNKFDA-JSGCOSHPSA-N 1 3 249.402 1.859 20 0 BDADHO C[C@@H](CO)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171620652 974113941 /nfs/dbraw/zinc/11/39/41/974113941.db2.gz BWLYDWVZALFNCV-LLVKDONJSA-N 1 3 242.407 1.856 20 0 BDADHO CC[C@@H](CO)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619232 974116408 /nfs/dbraw/zinc/11/64/08/974116408.db2.gz ZNICBWRBBYECJX-NSHDSACASA-N 1 3 242.407 1.998 20 0 BDADHO CC[C@@H](CO)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619232 974116416 /nfs/dbraw/zinc/11/64/16/974116416.db2.gz ZNICBWRBBYECJX-NSHDSACASA-N 1 3 242.407 1.998 20 0 BDADHO CCC[N@H+](CCCN)[C@H]1CCN(CC)C(=O)C1 ZINC001172023692 974283091 /nfs/dbraw/zinc/28/30/91/974283091.db2.gz PSFZFQBTUBNPAB-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCC[N@@H+](CCCN)[C@H]1CCN(CC)C(=O)C1 ZINC001172023692 974283104 /nfs/dbraw/zinc/28/31/04/974283104.db2.gz PSFZFQBTUBNPAB-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO Cn1cccc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156897 974330141 /nfs/dbraw/zinc/33/01/41/974330141.db2.gz UBCRXLLWBYSJSK-NWDGAFQWSA-N 1 3 225.311 1.286 20 0 BDADHO Cn1cccc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156897 974330148 /nfs/dbraw/zinc/33/01/48/974330148.db2.gz UBCRXLLWBYSJSK-NWDGAFQWSA-N 1 3 225.311 1.286 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(C)COC1)C2 ZINC001172102692 974361523 /nfs/dbraw/zinc/36/15/23/974361523.db2.gz ODZNMQPPKPGRRM-ZSBIGDGJSA-N 1 3 224.348 1.380 20 0 BDADHO CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001172327190 974539604 /nfs/dbraw/zinc/53/96/04/974539604.db2.gz DFUYXYNSQVSYRS-SRVKXCTJSA-N 1 3 216.369 1.765 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)NC1(C[NH3+])CC1 ZINC001172348588 974618564 /nfs/dbraw/zinc/61/85/64/974618564.db2.gz IUJQQFLZCOYJEM-MNOVXSKESA-N 1 3 214.353 1.661 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001172442079 974801441 /nfs/dbraw/zinc/80/14/41/974801441.db2.gz RHIJNENBSCWHAU-NEPJUHHUSA-N 1 3 216.369 1.717 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172442079 974801446 /nfs/dbraw/zinc/80/14/46/974801446.db2.gz RHIJNENBSCWHAU-NEPJUHHUSA-N 1 3 216.369 1.717 20 0 BDADHO CC1(C)CC([NH2+]C2CC(N)C2)CC(C)(C)O1 ZINC001172651754 974896556 /nfs/dbraw/zinc/89/65/56/974896556.db2.gz GPAFAZXTGPESIP-UHFFFAOYSA-N 1 3 226.364 1.802 20 0 BDADHO Cc1ccc2c(c1)C[C@@H](NC1(C[NH3+])CC1)CC2 ZINC001172837732 974951496 /nfs/dbraw/zinc/95/14/96/974951496.db2.gz MLPZEULXKYKZBH-AWEZNQCLSA-N 1 3 230.355 1.933 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN)CC1 ZINC001172802959 974955892 /nfs/dbraw/zinc/95/58/92/974955892.db2.gz ZHSSUKQEYQEBAF-QJPTWQEYSA-N 1 3 242.363 1.293 20 0 BDADHO CC[NH+](CC)C1CCC(N(C)C2COC2)CC1 ZINC001173115036 975027113 /nfs/dbraw/zinc/02/71/13/975027113.db2.gz WDDFQBDVGACVIE-UHFFFAOYSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173128148 975038454 /nfs/dbraw/zinc/03/84/54/975038454.db2.gz HJZBFCFFMUKCQE-RKDXNWHRSA-N 1 3 225.361 1.185 20 0 BDADHO C1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000721224070 975362638 /nfs/dbraw/zinc/36/26/38/975362638.db2.gz LTVXEEAYXMQNCT-AYLPWXGPSA-N 1 3 206.333 1.802 20 0 BDADHO COC(=O)CCCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001173446501 975391427 /nfs/dbraw/zinc/39/14/27/975391427.db2.gz WDIZMMFUBVTFDQ-QWRGUYRKSA-N 1 3 230.352 1.293 20 0 BDADHO CC(C)([NH3+])CCNCc1cccc2c[nH]nc21 ZINC001334828456 976726942 /nfs/dbraw/zinc/72/69/42/976726942.db2.gz OWGLMBHMVYPXLJ-UHFFFAOYSA-N 1 3 232.331 1.780 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@@H](C)[C@H](C)O ZINC001335413265 977040969 /nfs/dbraw/zinc/04/09/69/977040969.db2.gz OISYTGSSHKVNFM-RYUDHWBXSA-N 1 3 216.369 1.323 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@H](C)O ZINC001335413265 977040980 /nfs/dbraw/zinc/04/09/80/977040980.db2.gz OISYTGSSHKVNFM-RYUDHWBXSA-N 1 3 216.369 1.323 20 0 BDADHO CC(=O)OC[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001335465599 977076426 /nfs/dbraw/zinc/07/64/26/977076426.db2.gz KJTXKLZABBCQBB-NHCYSSNCSA-N 1 3 228.336 1.010 20 0 BDADHO CC(=O)OC[C@H](C)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001335465599 977076437 /nfs/dbraw/zinc/07/64/37/977076437.db2.gz KJTXKLZABBCQBB-NHCYSSNCSA-N 1 3 228.336 1.010 20 0 BDADHO C[C@H](O)[C@H](C)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001336050913 977457597 /nfs/dbraw/zinc/45/75/97/977457597.db2.gz JVFKTBTWERHXDG-NNYUYHANSA-N 1 3 226.364 1.218 20 0 BDADHO CN(C)c1cc(Nc2ncc[nH]2)cc[nH+]1 ZINC001176081882 977875590 /nfs/dbraw/zinc/87/55/90/977875590.db2.gz IJSACDHQTQDVGL-UHFFFAOYSA-N 1 3 203.249 1.614 20 0 BDADHO Cc1ccc(CNCC[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC001178916955 978641837 /nfs/dbraw/zinc/64/18/37/978641837.db2.gz RXKUKXCQFYEIBA-ZDUSSCGKSA-N 1 3 248.374 1.607 20 0 BDADHO Cc1ccc(CNCC[C@@H]2CCC[N@H+](C)C2)nn1 ZINC001178916955 978641838 /nfs/dbraw/zinc/64/18/38/978641838.db2.gz RXKUKXCQFYEIBA-ZDUSSCGKSA-N 1 3 248.374 1.607 20 0 BDADHO Cc1nc(C)c(CN2CCC3(C[NH+](C)C3)CC2)[nH]1 ZINC001234645592 978884271 /nfs/dbraw/zinc/88/42/71/978884271.db2.gz RSQAOWCKPOVREZ-UHFFFAOYSA-N 1 3 248.374 1.554 20 0 BDADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C(C)C)N(C)C ZINC001339716134 978899287 /nfs/dbraw/zinc/89/92/87/978899287.db2.gz SMAVNHPFVVPCMI-RYUDHWBXSA-N 1 3 243.395 1.062 20 0 BDADHO C[C@@H]1C[C@@H](CN2C[C@@H]3CC[C@]3([NH3+])C2)C[C@H](C)O1 ZINC001235978894 979250657 /nfs/dbraw/zinc/25/06/57/979250657.db2.gz LOVZQEMIDWUCOT-NDKCEZKHSA-N 1 3 238.375 1.613 20 0 BDADHO CN1CC2(C1)CC[NH+](CCCCCO)CC2 ZINC001236089873 979380681 /nfs/dbraw/zinc/38/06/81/979380681.db2.gz YSRBOUHSURFWHU-UHFFFAOYSA-N 1 3 226.364 1.177 20 0 BDADHO [NH3+]C[C@H]1CCCN1Cc1cc2c[nH]ccc-2n1 ZINC001236247760 979467585 /nfs/dbraw/zinc/46/75/85/979467585.db2.gz YOLZANKCMYOAQB-GFCCVEGCSA-N 1 3 230.315 1.486 20 0 BDADHO [NH3+]C[C@H]1CCCN1Cc1cc2cnccc2[nH]1 ZINC001236247760 979467590 /nfs/dbraw/zinc/46/75/90/979467590.db2.gz YOLZANKCMYOAQB-GFCCVEGCSA-N 1 3 230.315 1.486 20 0 BDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC001341778459 979555438 /nfs/dbraw/zinc/55/54/38/979555438.db2.gz SFBFHGONHJHGKB-NWDGAFQWSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001342299841 979763442 /nfs/dbraw/zinc/76/34/42/979763442.db2.gz IWRRQTPOJBJRPF-JQWIXIFHSA-N 1 3 247.342 1.203 20 0 BDADHO Cc1ccc(CCC[N@@H+](C)C[C@H](C)N)o1 ZINC001236885716 979781590 /nfs/dbraw/zinc/78/15/90/979781590.db2.gz PURNEYQQZQCBRJ-JTQLQIEISA-N 1 3 210.321 1.800 20 0 BDADHO Cc1ccc(CCC[N@H+](C)C[C@H](C)N)o1 ZINC001236885716 979781598 /nfs/dbraw/zinc/78/15/98/979781598.db2.gz PURNEYQQZQCBRJ-JTQLQIEISA-N 1 3 210.321 1.800 20 0 BDADHO C[C@@]1([NH3+])CCCN(Cc2ccc(=O)[nH]c2)CC1 ZINC001205263789 979813412 /nfs/dbraw/zinc/81/34/12/979813412.db2.gz CBNFXSHLRPHGML-CYBMUJFWSA-N 1 3 235.331 1.491 20 0 BDADHO CCC1(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237376073 979876666 /nfs/dbraw/zinc/87/66/66/979876666.db2.gz OPGQHGWMTMTZAU-OLZOCXBDSA-N 1 3 238.375 1.487 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(C(F)F)C3)[C@H]2C1 ZINC001184389160 980062822 /nfs/dbraw/zinc/06/28/22/980062822.db2.gz VIHOCNCPJBEKFK-PFEFSLHISA-N 1 3 244.329 1.960 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@H](C)OC ZINC001184417313 980083071 /nfs/dbraw/zinc/08/30/71/980083071.db2.gz AKKFSYPURKOMFG-NEPJUHHUSA-N 1 3 216.369 1.731 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503984 980126202 /nfs/dbraw/zinc/12/62/02/980126202.db2.gz CZRLHFGNYIKQKD-MNOVXSKESA-N 1 3 241.379 1.090 20 0 BDADHO C[NH2+][C@@H](C)CCN[C@@H](COC)C1CCCC1 ZINC001345482160 980617967 /nfs/dbraw/zinc/61/79/67/980617967.db2.gz KSPPGHHKVNMBKQ-AAEUAGOBSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000722684739 980879978 /nfs/dbraw/zinc/87/99/78/980879978.db2.gz WRYUSFHRCAEFFE-KXUCPTDWSA-N 1 3 218.291 1.558 20 0 BDADHO Cc1c(N)ccnc1-c1cncc(C[NH3+])c1 ZINC001239787195 980919274 /nfs/dbraw/zinc/91/92/74/980919274.db2.gz VJFFAWRMKXDPPC-UHFFFAOYSA-N 1 3 214.272 1.493 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2cncs2)CC1 ZINC001205546000 980943785 /nfs/dbraw/zinc/94/37/85/980943785.db2.gz OGVCXOPBORPQQB-NSHDSACASA-N 1 3 243.351 1.796 20 0 BDADHO C[C@@H]1CCN(Cc2nccn2C)CC[C@H]1C[NH3+] ZINC001205600437 981154530 /nfs/dbraw/zinc/15/45/30/981154530.db2.gz BSOWVDRUGCBFMA-NEPJUHHUSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@@H]1CCN(Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC001205600442 981155901 /nfs/dbraw/zinc/15/59/01/981155901.db2.gz BSOWVDRUGCBFMA-VXGBXAGGSA-N 1 3 236.363 1.227 20 0 BDADHO NCc1cccc(-c2ccc3c(c2)CC[NH2+]C3)n1 ZINC001240453500 981388784 /nfs/dbraw/zinc/38/87/84/981388784.db2.gz AQWJUDLIRJVQNG-UHFFFAOYSA-N 1 3 239.322 1.853 20 0 BDADHO CC(C)[C@H]([NH2+]CC[C@H]1CCCN1C)C(C)(C)O ZINC001194176799 981589293 /nfs/dbraw/zinc/58/92/93/981589293.db2.gz QIZCGEMVWDTRDP-OLZOCXBDSA-N 1 3 242.407 1.856 20 0 BDADHO O[C@@H]1C[NH2+]CC[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001580879764 981668121 /nfs/dbraw/zinc/66/81/21/981668121.db2.gz FBHHYIIDJCXKFL-BYNSBNAKSA-N 1 3 246.354 1.103 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc[nH]n3)C[C@@H]2C1 ZINC001355374924 983480418 /nfs/dbraw/zinc/48/04/18/983480418.db2.gz WCNKMRYJLALQRJ-MBNYWOFBSA-N 1 3 248.374 1.572 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005049 983813215 /nfs/dbraw/zinc/81/32/15/983813215.db2.gz UPBDZZKTECLAOT-FIQHERPVSA-N 1 3 241.379 1.136 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2cnsc2)C1 ZINC001202750323 984213758 /nfs/dbraw/zinc/21/37/58/984213758.db2.gz QYHBKHWMRIWODY-NSHDSACASA-N 1 3 239.388 1.965 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2cnsc2)C1 ZINC001202750323 984213766 /nfs/dbraw/zinc/21/37/66/984213766.db2.gz QYHBKHWMRIWODY-NSHDSACASA-N 1 3 239.388 1.965 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620852 984216028 /nfs/dbraw/zinc/21/60/28/984216028.db2.gz ADPWIDQWXMLFLZ-AAEUAGOBSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620852 984216034 /nfs/dbraw/zinc/21/60/34/984216034.db2.gz ADPWIDQWXMLFLZ-AAEUAGOBSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620856 984218116 /nfs/dbraw/zinc/21/81/16/984218116.db2.gz ADPWIDQWXMLFLZ-DGCLKSJQSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620856 984218127 /nfs/dbraw/zinc/21/81/27/984218127.db2.gz ADPWIDQWXMLFLZ-DGCLKSJQSA-N 1 3 228.380 1.325 20 0 BDADHO COCC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N)C1 ZINC001579005308 984247510 /nfs/dbraw/zinc/24/75/10/984247510.db2.gz JZBMIJJNDAAPOU-KGLIPLIRSA-N 1 3 234.343 1.797 20 0 BDADHO COCC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N)C1 ZINC001579005308 984247519 /nfs/dbraw/zinc/24/75/19/984247519.db2.gz JZBMIJJNDAAPOU-KGLIPLIRSA-N 1 3 234.343 1.797 20 0 BDADHO COCC[C@@H]([NH3+])CNCC1(OC)CCCCC1 ZINC001579004379 984251438 /nfs/dbraw/zinc/25/14/38/984251438.db2.gz SYRHIFKTZNBCRF-GFCCVEGCSA-N 1 3 244.379 1.289 20 0 BDADHO CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001275086445 984480488 /nfs/dbraw/zinc/48/04/88/984480488.db2.gz MEWCAUUBYXHOFI-UHFFFAOYSA-N 1 3 248.374 1.301 20 0 BDADHO NCC[N@H+](CCc1ccccc1)C[C@@H](O)C1CC1 ZINC001580309934 984505743 /nfs/dbraw/zinc/50/57/43/984505743.db2.gz RHSVWNANLYVJPF-OAHLLOKOSA-N 1 3 248.370 1.261 20 0 BDADHO NCC[N@@H+](CCc1ccccc1)C[C@@H](O)C1CC1 ZINC001580309934 984505749 /nfs/dbraw/zinc/50/57/49/984505749.db2.gz RHSVWNANLYVJPF-OAHLLOKOSA-N 1 3 248.370 1.261 20 0 BDADHO [NH3+]CCCOCCNCc1ccc2c(n1)CCC2 ZINC001580301100 984505789 /nfs/dbraw/zinc/50/57/89/984505789.db2.gz SMMDOSYBDJMXEP-UHFFFAOYSA-N 1 3 249.358 1.025 20 0 BDADHO C[N@@H+]1CCC2(C1)CCN(Cc1cn[nH]c1)CC2 ZINC001275211123 984521759 /nfs/dbraw/zinc/52/17/59/984521759.db2.gz JTSQBKOJAPYAKJ-UHFFFAOYSA-N 1 3 234.347 1.327 20 0 BDADHO C[N@H+]1CCC2(C1)CCN(Cc1cn[nH]c1)CC2 ZINC001275211123 984521776 /nfs/dbraw/zinc/52/17/76/984521776.db2.gz JTSQBKOJAPYAKJ-UHFFFAOYSA-N 1 3 234.347 1.327 20 0 BDADHO CCN(CCC[N@H+](C)CCN)CC(F)(F)F ZINC001577712956 984651444 /nfs/dbraw/zinc/65/14/44/984651444.db2.gz FXONAQYMKKBPIX-UHFFFAOYSA-N 1 3 241.301 1.151 20 0 BDADHO CCN(CCC[N@@H+](C)CCN)CC(F)(F)F ZINC001577712956 984651469 /nfs/dbraw/zinc/65/14/69/984651469.db2.gz FXONAQYMKKBPIX-UHFFFAOYSA-N 1 3 241.301 1.151 20 0 BDADHO CCN1CCC[C@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001577771076 984774157 /nfs/dbraw/zinc/77/41/57/984774157.db2.gz RLMXAONJPZUEKK-NWDGAFQWSA-N 1 3 225.380 1.058 20 0 BDADHO C[N@@H+]1CCC2(C1)CCN(Cc1cc[nH]c1)CC2 ZINC001276104167 984817488 /nfs/dbraw/zinc/81/74/88/984817488.db2.gz ZQJQAWUVRRUDNS-UHFFFAOYSA-N 1 3 233.359 1.932 20 0 BDADHO C[N@H+]1CCC2(C1)CCN(Cc1cc[nH]c1)CC2 ZINC001276104167 984817491 /nfs/dbraw/zinc/81/74/91/984817491.db2.gz ZQJQAWUVRRUDNS-UHFFFAOYSA-N 1 3 233.359 1.932 20 0 BDADHO CCOC(=O)[C@]1(C)CCC[C@H]1NC1CC([NH3+])C1 ZINC001577925970 984821392 /nfs/dbraw/zinc/82/13/92/984821392.db2.gz PEQQCNKMYAECRC-FFJHZOIPSA-N 1 3 240.347 1.188 20 0 BDADHO CCOC(=O)CC(C)(C)CN[C@@H](C)CC[NH3+] ZINC001577939488 984823716 /nfs/dbraw/zinc/82/37/16/984823716.db2.gz JLLBXSLSYAPOOA-JTQLQIEISA-N 1 3 230.352 1.293 20 0 BDADHO CCOC(=O)CC(C)(C)C[NH2+][C@@H](C)CCN ZINC001577939488 984823718 /nfs/dbraw/zinc/82/37/18/984823718.db2.gz JLLBXSLSYAPOOA-JTQLQIEISA-N 1 3 230.352 1.293 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148533 984855111 /nfs/dbraw/zinc/85/51/11/984855111.db2.gz BDWCPJYLUKAYMJ-YVECIDJPSA-N 1 3 242.363 1.040 20 0 BDADHO CN(C)C1(C[NH2+]C[C@H](N)CCC(C)(C)C)CC1 ZINC001578408835 985043349 /nfs/dbraw/zinc/04/33/49/985043349.db2.gz DDWVKVWCSNLCBS-GFCCVEGCSA-N 1 3 241.423 1.824 20 0 BDADHO CO[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000691985181 985109317 /nfs/dbraw/zinc/10/93/17/985109317.db2.gz JYAIXOYTKROGDR-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)CC1 ZINC000691985181 985109326 /nfs/dbraw/zinc/10/93/26/985109326.db2.gz JYAIXOYTKROGDR-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CN(Cc1cc(C2C[NH2+]C2)no1)CC1CCC1 ZINC001578486125 985115230 /nfs/dbraw/zinc/11/52/30/985115230.db2.gz PSLFKBBOIZWDSX-UHFFFAOYSA-N 1 3 235.331 1.593 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(C[C@H]2CCCC[NH2+]C2)C1 ZINC000687214324 985270957 /nfs/dbraw/zinc/27/09/57/985270957.db2.gz IXAJRMMHBFTJBG-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@](C)(CN(C)C1CC([NH3+])C1)C1CC1 ZINC001578898344 985471168 /nfs/dbraw/zinc/47/11/68/985471168.db2.gz XIKDPIFDMSRKFJ-HTAVTVPLSA-N 1 3 212.337 1.223 20 0 BDADHO CO[C@@H](CN[C@@H](C[NH3+])C1CC1)CC(C)C ZINC001578913076 985514164 /nfs/dbraw/zinc/51/41/64/985514164.db2.gz RAOKRSLZZGLNER-NEPJUHHUSA-N 1 3 214.353 1.374 20 0 BDADHO CO[C@H]1C[C@@H](NC(C)(C)C[NH3+])C12CCC2 ZINC001578936365 985547297 /nfs/dbraw/zinc/54/72/97/985547297.db2.gz RAKDUNYFBWLVLK-ZJUUUORDSA-N 1 3 212.337 1.271 20 0 BDADHO c1cc(C2=CNCCC2)cc(N2CC[NH2+]CC2)n1 ZINC001243950468 985648175 /nfs/dbraw/zinc/64/81/75/985648175.db2.gz UUBFNKJXVAPZNX-UHFFFAOYSA-N 1 3 244.342 1.216 20 0 BDADHO COCC[C@H]([NH3+])CN[C@@H](C)[C@@](C)(OC)C1CC1 ZINC001579001814 985651356 /nfs/dbraw/zinc/65/13/56/985651356.db2.gz LXXJJDAYVJPTCV-WCFLWFBJSA-N 1 3 244.379 1.143 20 0 BDADHO COCC[C@H]([NH3+])CN[C@@H](C)[C@](C)(OC)C1CC1 ZINC001579001811 985657258 /nfs/dbraw/zinc/65/72/58/985657258.db2.gz LXXJJDAYVJPTCV-DRZSPHRISA-N 1 3 244.379 1.143 20 0 BDADHO COCC[C@@H]([NH3+])CN[C@H]1C[C@H](OC(C)(C)C)C1 ZINC001579004385 985663996 /nfs/dbraw/zinc/66/39/96/985663996.db2.gz TWUOUJHGQRSUQX-IJLUTSLNSA-N 1 3 244.379 1.286 20 0 BDADHO C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC001579354439 985856230 /nfs/dbraw/zinc/85/62/30/985856230.db2.gz CYMZYGPCAKSDDK-OYLDRBDASA-N 1 3 244.404 1.146 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NC1CC(C(F)F)C1 ZINC001579499575 986026475 /nfs/dbraw/zinc/02/64/75/986026475.db2.gz UKRDMZOTQCYDQT-SEZDTBSWSA-N 1 3 218.291 1.760 20 0 BDADHO C[C@H]1NCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001579504952 986041531 /nfs/dbraw/zinc/04/15/31/986041531.db2.gz ACYRLRVHXHFROW-AXWZBMJISA-N 1 3 236.359 1.140 20 0 BDADHO C[C@]1(CN[C@@H]2C[C@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185253 986379039 /nfs/dbraw/zinc/37/90/39/986379039.db2.gz KACWESYZZGVOKJ-IVZWLZJFSA-N 1 3 230.302 1.891 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(C[C@H](O)C(C)C)C[C@H]2C1 ZINC001253767348 986391510 /nfs/dbraw/zinc/39/15/10/986391510.db2.gz KXIQMXYRQWLTPV-MCIONIFRSA-N 1 3 240.391 1.277 20 0 BDADHO CCCN1C[C@@H]2C[NH+](C[C@H](O)C(C)C)C[C@H]2C1 ZINC001253767348 986391521 /nfs/dbraw/zinc/39/15/21/986391521.db2.gz KXIQMXYRQWLTPV-MCIONIFRSA-N 1 3 240.391 1.277 20 0 BDADHO [NH3+][C@@H](CN[C@@H]1C[C@@H]2CC[C@H]1O2)CC(F)(F)F ZINC001580131093 986603657 /nfs/dbraw/zinc/60/36/57/986603657.db2.gz ACUNRVVAYKTINZ-BZNPZCIMSA-N 1 3 238.253 1.176 20 0 BDADHO NC1CC([NH2+]C[C@H]2C[C@@H]2C2CCCC2)C1 ZINC001580162622 986637498 /nfs/dbraw/zinc/63/74/98/986637498.db2.gz CIZGRQFQESYBAO-IKWCTNDRSA-N 1 3 208.349 1.892 20 0 BDADHO CCN1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516245 986659571 /nfs/dbraw/zinc/65/95/71/986659571.db2.gz LEMPVIYLUSCASQ-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO CCN1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516245 986659576 /nfs/dbraw/zinc/65/95/76/986659576.db2.gz LEMPVIYLUSCASQ-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO NC[C@@]12C[N@H+](CC3(O)CCC3)C[C@H]1CCCC2 ZINC001580256241 986710765 /nfs/dbraw/zinc/71/07/65/986710765.db2.gz RUBJXMIZFPVOGP-OLZOCXBDSA-N 1 3 238.375 1.352 20 0 BDADHO NC[C@@]12C[N@@H+](CC3(O)CCC3)C[C@H]1CCCC2 ZINC001580256241 986710773 /nfs/dbraw/zinc/71/07/73/986710773.db2.gz RUBJXMIZFPVOGP-OLZOCXBDSA-N 1 3 238.375 1.352 20 0 BDADHO [NH3+]CCCCCCCN1CC[C@](F)(CO)C1 ZINC001580293185 986736721 /nfs/dbraw/zinc/73/67/21/986736721.db2.gz WEMMDDVTSZYACI-GFCCVEGCSA-N 1 3 232.343 1.302 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CCSC1 ZINC001580371955 986796800 /nfs/dbraw/zinc/79/68/00/986796800.db2.gz FZMBMJOCUMIKPQ-IVZWLZJFSA-N 1 3 200.351 1.351 20 0 BDADHO CN1CC2(C1)CC[NH+](C1CCSCC1)CC2 ZINC001255094932 986819215 /nfs/dbraw/zinc/81/92/15/986819215.db2.gz PDBAZZVZMVFQAL-UHFFFAOYSA-N 1 3 240.416 1.910 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC001580423121 986842704 /nfs/dbraw/zinc/84/27/04/986842704.db2.gz PTAMOPHWWJEIPX-RWMBFGLXSA-N 1 3 231.343 1.408 20 0 BDADHO CCC[C@H](O)CNC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974806 987251611 /nfs/dbraw/zinc/25/16/11/987251611.db2.gz NXIPJEWJWLMZML-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO CCCC[C@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245980231 987261427 /nfs/dbraw/zinc/26/14/27/987261427.db2.gz HLMDUTSNNYKQNR-RYUDHWBXSA-N 1 3 214.353 1.127 20 0 BDADHO C[C@@](O)(CNC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983761 987267855 /nfs/dbraw/zinc/26/78/55/987267855.db2.gz URFGOWUSPVGIFF-DZGCQCFKSA-N 1 3 248.370 1.483 20 0 BDADHO [NH3+][C@H]1CCCN(C[C@@H](O)c2ccccc2)CC1 ZINC001246017023 987303538 /nfs/dbraw/zinc/30/35/38/987303538.db2.gz PRHQDNGGTXOQGI-UONOGXRCSA-N 1 3 234.343 1.533 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246027712 987324745 /nfs/dbraw/zinc/32/47/45/987324745.db2.gz YGXAODZFSLFGDB-QWHCGFSZSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001246027712 987324749 /nfs/dbraw/zinc/32/47/49/987324749.db2.gz YGXAODZFSLFGDB-QWHCGFSZSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246026577 987326420 /nfs/dbraw/zinc/32/64/20/987326420.db2.gz UVDDUQDLAQIXBL-GXTWGEPZSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001246026577 987326429 /nfs/dbraw/zinc/32/64/29/987326429.db2.gz UVDDUQDLAQIXBL-GXTWGEPZSA-N 1 3 240.391 1.611 20 0 BDADHO COCCCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000697052282 987347770 /nfs/dbraw/zinc/34/77/70/987347770.db2.gz MUFVIQNMEUHYHC-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO CCOC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000697089089 987350260 /nfs/dbraw/zinc/35/02/60/987350260.db2.gz UUHPXBKTPIIDCO-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)CN1 ZINC001246073351 987359678 /nfs/dbraw/zinc/35/96/78/987359678.db2.gz SCLYKGUDOOWSPZ-SNPRPXQTSA-N 1 3 248.370 1.624 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 ZINC001246077863 987369911 /nfs/dbraw/zinc/36/99/11/987369911.db2.gz LBWAGTBCVGGOER-ZYHUDNBSSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC001246077863 987369917 /nfs/dbraw/zinc/36/99/17/987369917.db2.gz LBWAGTBCVGGOER-ZYHUDNBSSA-N 1 3 240.347 1.060 20 0 BDADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1CCNCC1 ZINC001246080275 987370625 /nfs/dbraw/zinc/37/06/25/987370625.db2.gz QMVSTDDDQYAZQG-RYUDHWBXSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699314180 987374033 /nfs/dbraw/zinc/37/40/33/987374033.db2.gz IUIALRAWVUTQQA-ODWCKFRGSA-N 1 3 224.348 1.238 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CCNC[C@H]2F)CC1 ZINC001246084681 987380630 /nfs/dbraw/zinc/38/06/30/987380630.db2.gz GJZNIFYVWPZWIJ-OLZOCXBDSA-N 1 3 243.370 1.149 20 0 BDADHO CCCCC[C@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085310 987383941 /nfs/dbraw/zinc/38/39/41/987383941.db2.gz WGKIZOQXJASBDD-RWMBFGLXSA-N 1 3 246.370 1.607 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246087658 987390510 /nfs/dbraw/zinc/39/05/10/987390510.db2.gz ZRWMARUUHFEZHX-USZNOCQGSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090971 987396462 /nfs/dbraw/zinc/39/64/62/987396462.db2.gz CHFVDHNADLMSLW-WRWGMCAJSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246095640 987406204 /nfs/dbraw/zinc/40/62/04/987406204.db2.gz LLINLWQTTKOSSB-MCIONIFRSA-N 1 3 247.386 1.990 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2CCCOC2)C1 ZINC001246099652 987418548 /nfs/dbraw/zinc/41/85/48/987418548.db2.gz MGMAEDHOTSTBQF-QJPTWQEYSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099676 987419707 /nfs/dbraw/zinc/41/97/07/987419707.db2.gz MHGKPVFXXNFLMN-MELADBBJSA-N 1 3 247.386 1.848 20 0 BDADHO CSCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246102530 987428126 /nfs/dbraw/zinc/42/81/26/987428126.db2.gz QAFAKHHFSJZGMX-OUAUKWLOSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246106996 987436494 /nfs/dbraw/zinc/43/64/94/987436494.db2.gz RUELDWNBNNBHKS-PJIALRRASA-N 1 3 238.375 1.674 20 0 BDADHO COC1CCC(NC[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246113314 987448995 /nfs/dbraw/zinc/44/89/95/987448995.db2.gz NRQAJKNHTAAMKO-AHPWVWPOSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246129602 987476575 /nfs/dbraw/zinc/47/65/75/987476575.db2.gz GFHAUDMMXKBOFW-QJPTWQEYSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H]1C[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H](C)C1 ZINC001246132447 987484445 /nfs/dbraw/zinc/48/44/45/987484445.db2.gz CXTLJQLLVBSWMO-GSZZWUTPSA-N 1 3 238.375 1.388 20 0 BDADHO CCOC(CCCN[C@@H]1CCC[NH2+]C1)OCC ZINC001246163833 987528871 /nfs/dbraw/zinc/52/88/71/987528871.db2.gz KRVDBXGROJXMPJ-GFCCVEGCSA-N 1 3 244.379 1.507 20 0 BDADHO CCOC(=O)C1(CN[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246188512 987573271 /nfs/dbraw/zinc/57/32/71/987573271.db2.gz JVUWMHQPYURJSY-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)C1(C[NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246188512 987573278 /nfs/dbraw/zinc/57/32/78/987573278.db2.gz JVUWMHQPYURJSY-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2(C3CCOCC3)CC2)CCN1 ZINC001246195465 987583204 /nfs/dbraw/zinc/58/32/04/987583204.db2.gz OLYNWTARDKTRMI-DGCLKSJQSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1CC[C@@H](NC2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194220 987585973 /nfs/dbraw/zinc/58/59/73/987585973.db2.gz GRDJPUQWDMGSPO-WCQYABFASA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1C[C@@H](n2nc(CN)c3ccccc32)CC[NH2+]1 ZINC001246203520 987599116 /nfs/dbraw/zinc/59/91/16/987599116.db2.gz WSLQGDSMTGBUJK-QWRGUYRKSA-N 1 3 244.342 1.808 20 0 BDADHO COC(=O)CCCCC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246203003 987599555 /nfs/dbraw/zinc/59/95/55/987599555.db2.gz UXAPPCVZCYRNEK-RYUDHWBXSA-N 1 3 242.363 1.450 20 0 BDADHO CCCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246208836 987602416 /nfs/dbraw/zinc/60/24/16/987602416.db2.gz FYNJZZXKAFTDGR-FXJUQPSGSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224677 987623250 /nfs/dbraw/zinc/62/32/50/987623250.db2.gz XZRBSFYNCXHNRI-MXWKQRLJSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)CCN1 ZINC001246231237 987628103 /nfs/dbraw/zinc/62/81/03/987628103.db2.gz PBWNDLQJLXEMIG-WYUUTHIRSA-N 1 3 212.337 1.020 20 0 BDADHO COc1cncc(CCN[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246251334 987647814 /nfs/dbraw/zinc/64/78/14/987647814.db2.gz YVKVXVLFUNZEME-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO COc1cncc(CC[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC001246251334 987647818 /nfs/dbraw/zinc/64/78/18/987647818.db2.gz YVKVXVLFUNZEME-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CCN1 ZINC001246249863 987648039 /nfs/dbraw/zinc/64/80/39/987648039.db2.gz RNXMAAPKBCVGHC-NNYUYHANSA-N 1 3 212.337 1.020 20 0 BDADHO NCc1ccc2c(n1)N(C1CC[NH2+]CC1)CCC2 ZINC001246261825 987656435 /nfs/dbraw/zinc/65/64/35/987656435.db2.gz MXZLDCUQNMFBNS-UHFFFAOYSA-N 1 3 246.358 1.045 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[Si](C)(C)C)CCN1 ZINC001246265527 987660592 /nfs/dbraw/zinc/66/05/92/987660592.db2.gz HULQKPPLNXKXTO-ZJUUUORDSA-N 1 3 200.402 1.594 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246324683 987732714 /nfs/dbraw/zinc/73/27/14/987732714.db2.gz ZFSYOJJBWHHEHW-GWCFXTLKSA-N 1 3 236.363 1.607 20 0 BDADHO C[C@@H]1CC[C@H](Nc2ccc(CN)nc2)C[NH2+]1 ZINC001246328501 987734721 /nfs/dbraw/zinc/73/47/21/987734721.db2.gz YIPBYUJYJJZBNO-KOLCDFICSA-N 1 3 220.320 1.093 20 0 BDADHO c1ccc2c(c1)CC(CN[C@@H]1CCC[NH2+]C1)C2 ZINC001246369902 987773346 /nfs/dbraw/zinc/77/33/46/987773346.db2.gz DJBXMQZCZNTZGG-OAHLLOKOSA-N 1 3 230.355 1.743 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CCN1 ZINC001246391292 987778124 /nfs/dbraw/zinc/77/81/24/987778124.db2.gz SAMQUXQPLPPWJO-UWVGGRQHSA-N 1 3 214.353 1.266 20 0 BDADHO c1cncc(CC2(C[NH2+]C3CCNCC3)CC2)c1 ZINC001246433455 987800396 /nfs/dbraw/zinc/80/03/96/987800396.db2.gz KKPJIRGGORGYRU-UHFFFAOYSA-N 1 3 245.370 1.746 20 0 BDADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CC34CNC4)C[C@@H]21 ZINC001246445505 987802579 /nfs/dbraw/zinc/80/25/79/987802579.db2.gz OTJHOJDTJHGIGB-CHWFTXMASA-N 1 3 206.333 1.373 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N[C@@H]3CC34C[NH2+]C4)C[C@@H]21 ZINC001246445505 987802584 /nfs/dbraw/zinc/80/25/84/987802584.db2.gz OTJHOJDTJHGIGB-CHWFTXMASA-N 1 3 206.333 1.373 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CNC3)C[C@@H]1C ZINC001246446706 987806886 /nfs/dbraw/zinc/80/68/86/987806886.db2.gz TUYFHIMKKZHERY-NOOOWODRSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]1CC[C@@H](N[C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460853 987820245 /nfs/dbraw/zinc/82/02/45/987820245.db2.gz KFOHMPZZMRTUFA-RNJOBUHISA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCc2cccc(N)c2)CCN1 ZINC001246465786 987825515 /nfs/dbraw/zinc/82/55/15/987825515.db2.gz LWKRNMVQCRFXIS-BXUZGUMPSA-N 1 3 233.359 1.541 20 0 BDADHO O=C(CCC[NH2+]C1CCNCC1)c1cccnc1 ZINC001246506433 987859451 /nfs/dbraw/zinc/85/94/51/987859451.db2.gz ZVTNBBIUJPDGRH-UHFFFAOYSA-N 1 3 247.342 1.386 20 0 BDADHO CO[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246513110 987861313 /nfs/dbraw/zinc/86/13/13/987861313.db2.gz GHLXCWWKQWSZAE-LPWJVIDDSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCOC1 ZINC001246508804 987863745 /nfs/dbraw/zinc/86/37/45/987863745.db2.gz DUJBCWINJWYRMF-HNGCFSAESA-N 1 3 224.348 1.428 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@@H](F)[C@@H](N)C1 ZINC001246527715 987884127 /nfs/dbraw/zinc/88/41/27/987884127.db2.gz VTTOZKMOCVMUSN-UPJWGTAASA-N 1 3 245.386 1.478 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(CO)CC2)CCN1 ZINC001246577448 988092556 /nfs/dbraw/zinc/09/25/56/988092556.db2.gz RKTVYEAFRJDHGH-MGPQQGTHSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(CO)CC2)CCN1 ZINC001246577448 988092569 /nfs/dbraw/zinc/09/25/69/988092569.db2.gz RKTVYEAFRJDHGH-MGPQQGTHSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(CO)CC2)CCN1 ZINC001246577445 988093380 /nfs/dbraw/zinc/09/33/80/988093380.db2.gz RKTVYEAFRJDHGH-HZSPNIEDSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(CO)CC2)CCN1 ZINC001246577445 988093398 /nfs/dbraw/zinc/09/33/98/988093398.db2.gz RKTVYEAFRJDHGH-HZSPNIEDSA-N 1 3 240.391 1.611 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CCCC[C@@H](CN)C1 ZINC001246581993 988115273 /nfs/dbraw/zinc/11/52/73/988115273.db2.gz LYSFVZJDJXJBQH-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CCCC[C@@H](CN)C1 ZINC001246581993 988115284 /nfs/dbraw/zinc/11/52/84/988115284.db2.gz LYSFVZJDJXJBQH-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO CCCCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588768 988158552 /nfs/dbraw/zinc/15/85/52/988158552.db2.gz XQTIKJSSXCLNDE-GRYCIOLGSA-N 1 3 214.353 1.207 20 0 BDADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C[C@@]1(C)O ZINC001246593041 988177461 /nfs/dbraw/zinc/17/74/61/988177461.db2.gz RJPDQIQJFHSFCG-YVECIDJPSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C[C@@]1(C)O ZINC001246593041 988177490 /nfs/dbraw/zinc/17/74/90/988177490.db2.gz RJPDQIQJFHSFCG-YVECIDJPSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606557 988229917 /nfs/dbraw/zinc/22/99/17/988229917.db2.gz NBLXUWXPZWFEPT-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CCN1 ZINC001246606557 988229936 /nfs/dbraw/zinc/22/99/36/988229936.db2.gz NBLXUWXPZWFEPT-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCCO3)C2)CCN1 ZINC001246606557 988229953 /nfs/dbraw/zinc/22/99/53/988229953.db2.gz NBLXUWXPZWFEPT-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N3CC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246633224 988321110 /nfs/dbraw/zinc/32/11/10/988321110.db2.gz KTVRAWSLSRYGJP-IEECTRCBSA-N 1 3 220.360 1.857 20 0 BDADHO FC1(F)C[C@@H]2C[N@@H+]([C@H]3CCCNC3)C[C@@H]21 ZINC001246636315 988327069 /nfs/dbraw/zinc/32/70/69/988327069.db2.gz URMXXJTUELIUSV-UTLUCORTSA-N 1 3 216.275 1.325 20 0 BDADHO FC1(F)C[C@@H]2C[N@H+]([C@H]3CCCNC3)C[C@@H]21 ZINC001246636315 988327084 /nfs/dbraw/zinc/32/70/84/988327084.db2.gz URMXXJTUELIUSV-UTLUCORTSA-N 1 3 216.275 1.325 20 0 BDADHO CCCCC[C@@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640732 988346951 /nfs/dbraw/zinc/34/69/51/988346951.db2.gz GWNFNHWELXAZIY-KGLIPLIRSA-N 1 3 239.407 1.593 20 0 BDADHO CC(C)CC[C@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642971 988355190 /nfs/dbraw/zinc/35/51/90/988355190.db2.gz NQUBCXVLGLEJDH-UONOGXRCSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645515 988365520 /nfs/dbraw/zinc/36/55/20/988365520.db2.gz BYHCNMRWUGTRTL-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645515 988365533 /nfs/dbraw/zinc/36/55/33/988365533.db2.gz BYHCNMRWUGTRTL-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@@H](N2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645515 988365546 /nfs/dbraw/zinc/36/55/46/988365546.db2.gz BYHCNMRWUGTRTL-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246687609 988435157 /nfs/dbraw/zinc/43/51/57/988435157.db2.gz AWJJZOAAYKLIJU-RVMXOQNASA-N 1 3 225.380 1.151 20 0 BDADHO [NH3+][C@]12C[C@H]1CN([C@H]1CCc3cc(F)ccc3C1)C2 ZINC001246868731 988624715 /nfs/dbraw/zinc/62/47/15/988624715.db2.gz KXSZGXZYOCUPQW-QEJZJMRPSA-N 1 3 246.329 1.716 20 0 BDADHO C[C@@H]1C[C@@H](N2CCNC3=CCCC[C@@H]32)C[C@H](C)[NH2+]1 ZINC001246991376 988825422 /nfs/dbraw/zinc/82/54/22/988825422.db2.gz ANGIPIQPWGXBFU-XFMPKHEZSA-N 1 3 249.402 1.857 20 0 BDADHO C1=C2NCCN(C3CC[NH2+]CC3)[C@H]2CCC1 ZINC001246993382 988826543 /nfs/dbraw/zinc/82/65/43/988826543.db2.gz GWYJOGLJGMRUHK-ZDUSSCGKSA-N 1 3 221.348 1.080 20 0 BDADHO CCN1CCN([C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC001246995256 988827990 /nfs/dbraw/zinc/82/79/90/988827990.db2.gz SNSVGWPSNXLGAU-GFCCVEGCSA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)O[C@@H]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246995215 988829327 /nfs/dbraw/zinc/82/93/27/988829327.db2.gz RXAVVATYAOYZHH-RWMBFGLXSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001246995215 988829329 /nfs/dbraw/zinc/82/93/29/988829329.db2.gz RXAVVATYAOYZHH-RWMBFGLXSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001246995215 988829331 /nfs/dbraw/zinc/82/93/31/988829331.db2.gz RXAVVATYAOYZHH-RWMBFGLXSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@H](CCN[C@@H](C)Cn1cccn1)[NH+](C)C ZINC001119449510 989084012 /nfs/dbraw/zinc/08/40/12/989084012.db2.gz ACBYUAUFVINFAA-NWDGAFQWSA-N 1 3 224.352 1.201 20 0 BDADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887680 989299162 /nfs/dbraw/zinc/29/91/62/989299162.db2.gz IOJIYAFHHDOWJN-SNVBAGLBSA-N 1 3 248.330 1.095 20 0 BDADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887680 989299171 /nfs/dbraw/zinc/29/91/71/989299171.db2.gz IOJIYAFHHDOWJN-SNVBAGLBSA-N 1 3 248.330 1.095 20 0 BDADHO CC[C@@H](CO)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001119852922 989445684 /nfs/dbraw/zinc/44/56/84/989445684.db2.gz YSHZNXNWPYSSCS-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](CO)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001119852922 989445704 /nfs/dbraw/zinc/44/57/04/989445704.db2.gz YSHZNXNWPYSSCS-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](CO)N1CCC[C@H]([NH+](C)C)CC1 ZINC001119852922 989445718 /nfs/dbraw/zinc/44/57/18/989445718.db2.gz YSHZNXNWPYSSCS-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CCCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC001326688032 989652740 /nfs/dbraw/zinc/65/27/40/989652740.db2.gz MZZSKYQQHYKABO-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C1C[NH2+][C@H](c2noc([C@H]3CCCCCN3)n2)C1 ZINC001326978141 989796550 /nfs/dbraw/zinc/79/65/50/989796550.db2.gz NQQQASAOFPIHJY-VHSXEESVSA-N 1 3 236.319 1.699 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC001258105960 991017181 /nfs/dbraw/zinc/01/71/81/991017181.db2.gz VFOBLPUGDMYOLU-NWDGAFQWSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC001258105960 991017190 /nfs/dbraw/zinc/01/71/90/991017190.db2.gz VFOBLPUGDMYOLU-NWDGAFQWSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001258113460 991022009 /nfs/dbraw/zinc/02/20/09/991022009.db2.gz WCUIQJNZOGPIHO-RYUDHWBXSA-N 1 3 244.379 1.635 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001258113460 991022017 /nfs/dbraw/zinc/02/20/17/991022017.db2.gz WCUIQJNZOGPIHO-RYUDHWBXSA-N 1 3 244.379 1.635 20 0 BDADHO C[C@H](Cc1cccnc1)[NH2+]C[C@@H](C)CN ZINC001258615420 991540764 /nfs/dbraw/zinc/54/07/64/991540764.db2.gz IDHKWBDFMNXZQD-WDEREUQCSA-N 1 3 207.321 1.197 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](OC)C2)CC1 ZINC001258772107 991737274 /nfs/dbraw/zinc/73/72/74/991737274.db2.gz IYZPWSDNKXBDDI-CYBMUJFWSA-N 1 3 226.364 1.582 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@H](O)C[C@@H]2C)CC1 ZINC001258775403 991739626 /nfs/dbraw/zinc/73/96/26/991739626.db2.gz NPXLECKOQLGCBO-JSGCOSHPSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@H](O)[C@H](C)C2)CC1 ZINC001258772552 991741985 /nfs/dbraw/zinc/74/19/85/991741985.db2.gz SPQACOFPGACSSK-OCCSQVGLSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](OCC)C2)CC1 ZINC001258777552 991745680 /nfs/dbraw/zinc/74/56/80/991745680.db2.gz XWSFXJWOMIUYAN-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N(C)CC(=O)NC ZINC001258906983 991894665 /nfs/dbraw/zinc/89/46/65/991894665.db2.gz CKFBERQHXUPHQG-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N[C@](N)(CC)CO ZINC001258902288 991896067 /nfs/dbraw/zinc/89/60/67/991896067.db2.gz RWRCYUHNPJVTSW-CHWSQXEVSA-N 1 3 245.411 1.144 20 0 BDADHO CC(C)[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001567025547 991913084 /nfs/dbraw/zinc/91/30/84/991913084.db2.gz YKKKTHLMUFBQEL-NEPJUHHUSA-N 1 3 243.395 1.075 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)C1CNC1 ZINC001261661187 992452797 /nfs/dbraw/zinc/45/27/97/992452797.db2.gz ITPMXZXLICVWCD-CDEVMZEPSA-N 1 3 230.302 1.618 20 0 BDADHO CCN(CCC[NH+](C)C)CC1(OC)CCC1 ZINC001262010450 992595650 /nfs/dbraw/zinc/59/56/50/992595650.db2.gz FQUHZUKKSVPHKO-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccnc(CO)c1 ZINC001262354094 992855629 /nfs/dbraw/zinc/85/56/29/992855629.db2.gz YJQUSVTVLPYRQQ-KGLIPLIRSA-N 1 3 249.358 1.859 20 0 BDADHO CC(C)(C)OC(=O)CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC001575161147 993001448 /nfs/dbraw/zinc/00/14/48/993001448.db2.gz WINLFMHETPAMLF-UWVGGRQHSA-N 1 3 242.363 1.434 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+][C@H]1CCC2(C1)OCCO2 ZINC001575422294 993039742 /nfs/dbraw/zinc/03/97/42/993039742.db2.gz HZUVDBVIQLDDKB-RYUDHWBXSA-N 1 3 242.363 1.103 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001575472975 993050171 /nfs/dbraw/zinc/05/01/71/993050171.db2.gz ROGJPFGAHPOYFH-JHJVBQTASA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001575472975 993050177 /nfs/dbraw/zinc/05/01/77/993050177.db2.gz ROGJPFGAHPOYFH-JHJVBQTASA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)CC[C@H](CO)[NH2+]CC(C)(C)CN ZINC001575555072 993069818 /nfs/dbraw/zinc/06/98/18/993069818.db2.gz PGKCALLNZXTYIM-LLVKDONJSA-N 1 3 216.369 1.358 20 0 BDADHO C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H]1O ZINC001575940976 993133508 /nfs/dbraw/zinc/13/35/08/993133508.db2.gz GBDKGURQSMNWQY-NNYUYHANSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@H](N)C[N@@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001576157659 993198763 /nfs/dbraw/zinc/19/87/63/993198763.db2.gz UEOGTCFNEUEONF-JSGCOSHPSA-N 1 3 234.343 1.317 20 0 BDADHO C[C@H](N)C[N@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001576157659 993198766 /nfs/dbraw/zinc/19/87/66/993198766.db2.gz UEOGTCFNEUEONF-JSGCOSHPSA-N 1 3 234.343 1.317 20 0 BDADHO C[C@H]([NH2+][C@H]1C[C@H](N)C1)C1CCSCC1 ZINC001576250685 993232703 /nfs/dbraw/zinc/23/27/03/993232703.db2.gz GMRXWKIJCGEBSO-LSJOCFKGSA-N 1 3 214.378 1.597 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H](CO)CC1CCC1 ZINC001576383460 993291790 /nfs/dbraw/zinc/29/17/90/993291790.db2.gz OUDVGUDUWJELAW-TUAOUCFPSA-N 1 3 226.364 1.253 20 0 BDADHO C[C@@]1(CNC[C@@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518750 993327928 /nfs/dbraw/zinc/32/79/28/993327928.db2.gz GNTHWBODBGIZIF-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](Cc1ccno1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC001576666273 993387246 /nfs/dbraw/zinc/38/72/46/993387246.db2.gz KMUWIAFXTIEWNF-MXWKQRLJSA-N 1 3 223.320 1.336 20 0 BDADHO CN(C)C1CN(CCC[NH2+]C2CCCCC2)C1 ZINC000382263229 993448430 /nfs/dbraw/zinc/44/84/30/993448430.db2.gz HQIMJVFWVUEMHF-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CCC(CC)(CN)C[NH2+][C@@H](C)CC(C)(C)O ZINC001577052159 993491185 /nfs/dbraw/zinc/49/11/85/993491185.db2.gz KOEDWZPLCOPFHJ-NSHDSACASA-N 1 3 230.396 1.891 20 0 BDADHO CC[C@@H](CNC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC001577088340 993498826 /nfs/dbraw/zinc/49/88/26/993498826.db2.gz BVRCKROUPYLCER-AEGPPILISA-N 1 3 248.370 1.350 20 0 BDADHO CC[C@]1(O)CCC[N@H+](CC2(CN)CCC2)C1 ZINC001577233233 993549592 /nfs/dbraw/zinc/54/95/92/993549592.db2.gz GKYFVWOWHPOQKN-ZDUSSCGKSA-N 1 3 226.364 1.352 20 0 BDADHO CC[C@]1(O)CCC[N@@H+](CC2(CN)CCC2)C1 ZINC001577233233 993549603 /nfs/dbraw/zinc/54/96/03/993549603.db2.gz GKYFVWOWHPOQKN-ZDUSSCGKSA-N 1 3 226.364 1.352 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCCN(C)CC1 ZINC000384148967 993551512 /nfs/dbraw/zinc/55/15/12/993551512.db2.gz PJJXIMZAZKEMAU-CYBMUJFWSA-N 1 3 236.363 1.265 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+]CC2CNC2)CCO1 ZINC001577240874 993553378 /nfs/dbraw/zinc/55/33/78/993553378.db2.gz NSWLJSJQPWSIQR-JQWIXIFHSA-N 1 3 212.337 1.001 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC001577410526 993650790 /nfs/dbraw/zinc/65/07/90/993650790.db2.gz MELMBJAKKOUUAT-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC001577410526 993650786 /nfs/dbraw/zinc/65/07/86/993650786.db2.gz MELMBJAKKOUUAT-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC001577410523 993651641 /nfs/dbraw/zinc/65/16/41/993651641.db2.gz MELMBJAKKOUUAT-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC001577410523 993651649 /nfs/dbraw/zinc/65/16/49/993651649.db2.gz MELMBJAKKOUUAT-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](C)O ZINC000386751858 993694906 /nfs/dbraw/zinc/69/49/06/993694906.db2.gz GSNFNXGFECUSOZ-LPWJVIDDSA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](C)O ZINC000386751858 993694910 /nfs/dbraw/zinc/69/49/10/993694910.db2.gz GSNFNXGFECUSOZ-LPWJVIDDSA-N 1 3 226.364 1.362 20 0 BDADHO CN1CCC[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392644116 993874137 /nfs/dbraw/zinc/87/41/37/993874137.db2.gz QOGRRNWLZIGERM-GFCCVEGCSA-N 1 3 235.331 1.361 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000415003584 398145785 /nfs/dbraw/zinc/14/57/85/398145785.db2.gz PDEJQCCYGDMWQW-MXWKQRLJSA-N 1 3 247.333 1.104 20 0 BDADHO C([C@H]1CCOC1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000336722207 187321946 /nfs/dbraw/zinc/32/19/46/187321946.db2.gz ZTTVDCFPLLNWOU-UONOGXRCSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@H]1CCOC1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000336722207 187321948 /nfs/dbraw/zinc/32/19/48/187321948.db2.gz ZTTVDCFPLLNWOU-UONOGXRCSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@H]1CCOC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336722207 187321950 /nfs/dbraw/zinc/32/19/50/187321950.db2.gz ZTTVDCFPLLNWOU-UONOGXRCSA-N 1 3 238.375 1.441 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422906190 398156996 /nfs/dbraw/zinc/15/69/96/398156996.db2.gz UIJBPBOGDABNEZ-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835301 398170615 /nfs/dbraw/zinc/17/06/15/398170615.db2.gz DIRPBVWDSLQMJO-GNRIBBGQSA-N 1 3 240.391 1.645 20 0 BDADHO COCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161825545 349509821 /nfs/dbraw/zinc/50/98/21/349509821.db2.gz MTTQXYFXMNXGDN-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO COCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161825545 349509822 /nfs/dbraw/zinc/50/98/22/349509822.db2.gz MTTQXYFXMNXGDN-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944067 398160423 /nfs/dbraw/zinc/16/04/23/398160423.db2.gz RKVXBKUNNZGNCA-QWHCGFSZSA-N 1 3 238.306 1.674 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccccc1O ZINC000422976877 398161107 /nfs/dbraw/zinc/16/11/07/398161107.db2.gz VTBVDZKFBHYOLJ-QWRGUYRKSA-N 1 3 222.332 1.650 20 0 BDADHO C[C@@H](CCCc1cccnc1)[NH2+]CCCN ZINC000415117903 398163091 /nfs/dbraw/zinc/16/30/91/398163091.db2.gz XLIRUTZASRACCS-LBPRGKRZSA-N 1 3 221.348 1.731 20 0 BDADHO C[C@H](NCCC[NH3+])c1ccc2c(c1)COC2 ZINC000423174362 398164706 /nfs/dbraw/zinc/16/47/06/398164706.db2.gz ANTRYLXCCHOUQH-JTQLQIEISA-N 1 3 220.316 1.716 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1C ZINC000396714361 398167118 /nfs/dbraw/zinc/16/71/18/398167118.db2.gz QPOQORHKYYHOGG-CYDGBPFRSA-N 1 3 225.380 1.199 20 0 BDADHO CCOC[C@H]1CCCC[N@@H+]1CC(C)(C)N ZINC000313297503 398190251 /nfs/dbraw/zinc/19/02/51/398190251.db2.gz QYKQCVXANHBEOS-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO CCOC[C@H]1CCCC[N@H+]1CC(C)(C)N ZINC000313297503 398190253 /nfs/dbraw/zinc/19/02/53/398190253.db2.gz QYKQCVXANHBEOS-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO COC[C@@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334260147 398194781 /nfs/dbraw/zinc/19/47/81/398194781.db2.gz RKCLILJIDLWLMO-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334260147 398194784 /nfs/dbraw/zinc/19/47/84/398194784.db2.gz RKCLILJIDLWLMO-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@H](C)CN[C@H]1CCCC[NH2+]C1 ZINC000576250558 365537868 /nfs/dbraw/zinc/53/78/68/365537868.db2.gz ATCNTIJUZNNMDN-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)CCN1 ZINC000647796807 398201472 /nfs/dbraw/zinc/20/14/72/398201472.db2.gz OELRMJXWCFKDOE-PWSUYJOCSA-N 1 3 210.321 1.063 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338009425 187326576 /nfs/dbraw/zinc/32/65/76/187326576.db2.gz RLYIDMNLVJYPSP-UONOGXRCSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000069724529 398214204 /nfs/dbraw/zinc/21/42/04/398214204.db2.gz FDYCDIQGHIIYFD-AVGNSLFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000069724529 398214208 /nfs/dbraw/zinc/21/42/08/398214208.db2.gz FDYCDIQGHIIYFD-AVGNSLFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000381009226 398218465 /nfs/dbraw/zinc/21/84/65/398218465.db2.gz ROPPZXNOPPVMRA-ZYHUDNBSSA-N 1 3 222.336 1.011 20 0 BDADHO Cc1cc(C)n(CCN[C@@H](C[NH3+])C(C)(C)C)n1 ZINC000649419994 398218557 /nfs/dbraw/zinc/21/85/57/398218557.db2.gz LPGFGJKVGUZERI-LBPRGKRZSA-N 1 3 238.379 1.463 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)c1ccc(CN(C)C)cc1 ZINC000576397743 365585268 /nfs/dbraw/zinc/58/52/68/365585268.db2.gz JSZMCHRIOZFATR-LLVKDONJSA-N 1 3 249.358 1.215 20 0 BDADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430764838 398231258 /nfs/dbraw/zinc/23/12/58/398231258.db2.gz UDIVDUDBZVDEGY-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000430764838 398231259 /nfs/dbraw/zinc/23/12/59/398231259.db2.gz UDIVDUDBZVDEGY-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO Cc1cc([C@H](C)NCCCC[NH+](C)C)nn1C ZINC000337532060 178247634 /nfs/dbraw/zinc/24/76/34/178247634.db2.gz VUMOVOBCYRFKSM-LBPRGKRZSA-N 1 3 238.379 1.721 20 0 BDADHO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@](C)(O)C1 ZINC000180195469 259306920 /nfs/dbraw/zinc/30/69/20/259306920.db2.gz OYMPJBDMEJMHQB-ZDUSSCGKSA-N 1 3 237.347 1.664 20 0 BDADHO CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@](C)(O)C1 ZINC000180195469 259306922 /nfs/dbraw/zinc/30/69/22/259306922.db2.gz OYMPJBDMEJMHQB-ZDUSSCGKSA-N 1 3 237.347 1.664 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H](CO)Cc1ccccc1 ZINC000089150662 259308122 /nfs/dbraw/zinc/30/81/22/259308122.db2.gz AFJDUXITULVNIY-KFWWJZLASA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000089150662 259308124 /nfs/dbraw/zinc/30/81/24/259308124.db2.gz AFJDUXITULVNIY-KFWWJZLASA-N 1 3 248.370 1.307 20 0 BDADHO CCC[C@@](C)(N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000576634739 365643749 /nfs/dbraw/zinc/64/37/49/365643749.db2.gz FKIRRCOYGFFNNO-ZWNOBZJWSA-N 1 3 241.379 1.090 20 0 BDADHO COCC[NH2+]C1CCN(C[C@@H]2C[C@@H]2C)CC1 ZINC000565060450 323009396 /nfs/dbraw/zinc/00/93/96/323009396.db2.gz JHQKIPMFVMBBNH-RYUDHWBXSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC1 ZINC000165715625 361844517 /nfs/dbraw/zinc/84/45/17/361844517.db2.gz NDQKJRJJEWNJAQ-LLVKDONJSA-N 1 3 200.326 1.095 20 0 BDADHO C[C@@H]1CCN(Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000335610925 136236906 /nfs/dbraw/zinc/23/69/06/136236906.db2.gz HCAXYXNUHMOGFA-YPMHNXCESA-N 1 3 233.359 1.686 20 0 BDADHO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@@H]1CCCNC1 ZINC000583988667 342829898 /nfs/dbraw/zinc/82/98/98/342829898.db2.gz PCBHIYZCNCPQCB-XQQFMLRXSA-N 1 3 242.407 1.761 20 0 BDADHO Cc1ccncc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000167243681 136245141 /nfs/dbraw/zinc/24/51/41/136245141.db2.gz AEMMCIHIJDJJRO-DGCLKSJQSA-N 1 3 219.332 1.607 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@H](OCC)C1(C)C ZINC000233510857 342910070 /nfs/dbraw/zinc/91/00/70/342910070.db2.gz GOCJIGTUJLKIGF-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H](F)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000351751864 136251046 /nfs/dbraw/zinc/25/10/46/136251046.db2.gz DJDNMABOWUZKRZ-GHMZBOCLSA-N 1 3 202.317 1.618 20 0 BDADHO CC(C)CCN1CCCO[C@@H](C[NH3+])C1 ZINC000313360715 259333516 /nfs/dbraw/zinc/33/35/16/259333516.db2.gz WPXOSKSIPAIBBH-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO COc1ccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000107933276 192056838 /nfs/dbraw/zinc/05/68/38/192056838.db2.gz WYPLPSQCHCNULW-WCQYABFASA-N 1 3 234.343 1.864 20 0 BDADHO CC1(C)SC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000307093283 192056651 /nfs/dbraw/zinc/05/66/51/192056651.db2.gz CSUDBBIHBROWPX-VHSXEESVSA-N 1 3 214.378 1.612 20 0 BDADHO C1C[C@@H](N2C[C@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CO1 ZINC000371464048 187221795 /nfs/dbraw/zinc/22/17/95/187221795.db2.gz NXWCKYBZTHVKSX-SYQHCUMBSA-N 1 3 236.359 1.191 20 0 BDADHO C1C[C@@H](N2C[C@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CO1 ZINC000371464048 187221797 /nfs/dbraw/zinc/22/17/97/187221797.db2.gz NXWCKYBZTHVKSX-SYQHCUMBSA-N 1 3 236.359 1.191 20 0 BDADHO C([NH2+][C@@H]1CCCNCC1)C1CCSCC1 ZINC000229218670 187228981 /nfs/dbraw/zinc/22/89/81/187228981.db2.gz PBGOVFXIQOLJJQ-GFCCVEGCSA-N 1 3 228.405 1.861 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C2CCC2)CC1 ZINC000336894414 187231025 /nfs/dbraw/zinc/23/10/25/187231025.db2.gz LXOFUNITIYOKAE-ZDUSSCGKSA-N 1 3 239.407 1.530 20 0 BDADHO COCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062079370 136271971 /nfs/dbraw/zinc/27/19/71/136271971.db2.gz MVQRHWBRCGSAPA-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1CCC[N@H+](CCN2CCNCC2)CC1 ZINC000082489415 136276760 /nfs/dbraw/zinc/27/67/60/136276760.db2.gz GEPGZWHFGGPFLF-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCN2CCNCC2)CC1 ZINC000082489415 136276761 /nfs/dbraw/zinc/27/67/61/136276761.db2.gz GEPGZWHFGGPFLF-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091326 136284278 /nfs/dbraw/zinc/28/42/78/136284278.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091326 136284279 /nfs/dbraw/zinc/28/42/79/136284279.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091326 136284280 /nfs/dbraw/zinc/28/42/80/136284280.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091326 136284281 /nfs/dbraw/zinc/28/42/81/136284281.db2.gz PUHGDRDOVSKPQF-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000084222833 136290673 /nfs/dbraw/zinc/29/06/73/136290673.db2.gz GLDKJIBSYCWSSP-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO Cc1nccn1CCCN1CCCC[C@@H]1C[NH3+] ZINC000348756164 136297846 /nfs/dbraw/zinc/29/78/46/136297846.db2.gz MNURTQLQIDZOKE-CYBMUJFWSA-N 1 3 236.363 1.395 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCCC[C@@H]1CN ZINC000348756164 136297847 /nfs/dbraw/zinc/29/78/47/136297847.db2.gz MNURTQLQIDZOKE-CYBMUJFWSA-N 1 3 236.363 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCCC[C@@H]1CN ZINC000348756164 136297848 /nfs/dbraw/zinc/29/78/48/136297848.db2.gz MNURTQLQIDZOKE-CYBMUJFWSA-N 1 3 236.363 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCN[C@@H](C)[C@H]1C ZINC000348755678 136297876 /nfs/dbraw/zinc/29/78/76/136297876.db2.gz ILQJQDDWBBUYAJ-NWDGAFQWSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCN[C@@H](C)[C@H]1C ZINC000348755678 136297877 /nfs/dbraw/zinc/29/78/77/136297877.db2.gz ILQJQDDWBBUYAJ-NWDGAFQWSA-N 1 3 236.363 1.264 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@H]1CCN(CC)C1 ZINC000070624132 343335923 /nfs/dbraw/zinc/33/59/23/343335923.db2.gz MLBRZJPXVLNBRW-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H](COC)NC[C@H]1CC[N@H+](CC)C1 ZINC000070624132 343335924 /nfs/dbraw/zinc/33/59/24/343335924.db2.gz MLBRZJPXVLNBRW-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H](COC)NC[C@H]1CC[N@@H+](CC)C1 ZINC000070624132 343335926 /nfs/dbraw/zinc/33/59/26/343335926.db2.gz MLBRZJPXVLNBRW-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[NH3+])C12CCCC2 ZINC000082945692 343473021 /nfs/dbraw/zinc/47/30/21/343473021.db2.gz QKUBZEFABWBVEL-WDEREUQCSA-N 1 3 212.337 1.273 20 0 BDADHO COC[C@@H](C)C[NH2+]CCCN1CCCCC1 ZINC000163298828 323050210 /nfs/dbraw/zinc/05/02/10/323050210.db2.gz VYCXCERBMTZLCU-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCCNC1)C(C)C ZINC000087647475 343656061 /nfs/dbraw/zinc/65/60/61/343656061.db2.gz GUTRNDXNCWHLJT-VXGBXAGGSA-N 1 3 214.353 1.247 20 0 BDADHO COC[C@@H](NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000087647475 343656062 /nfs/dbraw/zinc/65/60/62/343656062.db2.gz GUTRNDXNCWHLJT-VXGBXAGGSA-N 1 3 214.353 1.247 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000309055981 346958085 /nfs/dbraw/zinc/95/80/85/346958085.db2.gz UKDGXTOYUHEIKS-YNEHKIRRSA-N 1 3 210.365 1.964 20 0 BDADHO CCO[C@H]1C[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000576187630 343722596 /nfs/dbraw/zinc/72/25/96/343722596.db2.gz AARRYUZOEBRRAL-KBPBESRZSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)N1CCN(CCC[NH2+]C2CC2)CC1 ZINC000037478638 537819958 /nfs/dbraw/zinc/81/99/58/537819958.db2.gz WGTNEQZIMLOGOI-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC(C)(C)CC1 ZINC000381162675 344074200 /nfs/dbraw/zinc/07/42/00/344074200.db2.gz RTDJZAAHNXJNCB-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(C)(C)CC1 ZINC000381162675 344074201 /nfs/dbraw/zinc/07/42/01/344074201.db2.gz RTDJZAAHNXJNCB-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)[C@@H](C)OC ZINC000131853451 344237514 /nfs/dbraw/zinc/23/75/14/344237514.db2.gz OFTNDFBXWVMHHY-NWDGAFQWSA-N 1 3 216.369 1.731 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000131853451 344237515 /nfs/dbraw/zinc/23/75/15/344237515.db2.gz OFTNDFBXWVMHHY-NWDGAFQWSA-N 1 3 216.369 1.731 20 0 BDADHO CO[C@@H](C)[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000131888242 344237870 /nfs/dbraw/zinc/23/78/70/344237870.db2.gz UOZKGEMYXMWWFF-QWRGUYRKSA-N 1 3 216.369 1.587 20 0 BDADHO CCOC(=O)C1(C)CC(NCCC[NH+](C)C)C1 ZINC000601261382 347041200 /nfs/dbraw/zinc/04/12/00/347041200.db2.gz PTEOQTHFMYHTFF-UHFFFAOYSA-N 1 3 242.363 1.260 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000132109970 344275153 /nfs/dbraw/zinc/27/51/53/344275153.db2.gz HMCCVLHDCBCDRD-MCIONIFRSA-N 1 3 238.375 1.769 20 0 BDADHO CC(C)C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000093210717 344312062 /nfs/dbraw/zinc/31/20/62/344312062.db2.gz DDQXVMQNKOILGM-BFHYXJOUSA-N 1 3 241.423 1.822 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093214335 344312388 /nfs/dbraw/zinc/31/23/88/344312388.db2.gz QFJPMOUPCFTOPQ-RDBSUJKOSA-N 1 3 239.407 1.720 20 0 BDADHO COC(=O)CCCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000600699736 344359621 /nfs/dbraw/zinc/35/96/21/344359621.db2.gz CQNIZDPWNRHACN-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CCCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000600712511 344361764 /nfs/dbraw/zinc/36/17/64/344361764.db2.gz XSYCTHCLANPDNO-MNOVXSKESA-N 1 3 228.336 1.141 20 0 BDADHO COC(=O)CCCC[N@@H+]1CCCC[C@@H]1CCN ZINC000600712243 344361827 /nfs/dbraw/zinc/36/18/27/344361827.db2.gz VGWQDZVQJLVPTH-GFCCVEGCSA-N 1 3 242.363 1.533 20 0 BDADHO COC(=O)CCCC[N@H+]1CCCC[C@@H]1CCN ZINC000600712243 344361828 /nfs/dbraw/zinc/36/18/28/344361828.db2.gz VGWQDZVQJLVPTH-GFCCVEGCSA-N 1 3 242.363 1.533 20 0 BDADHO COC(=O)CCCCN1CCCC[C@@H]1CC[NH3+] ZINC000600712243 344361829 /nfs/dbraw/zinc/36/18/29/344361829.db2.gz VGWQDZVQJLVPTH-GFCCVEGCSA-N 1 3 242.363 1.533 20 0 BDADHO CCC[C@H](N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037001333 344485171 /nfs/dbraw/zinc/48/51/71/344485171.db2.gz JTMOWPVPXGWPLH-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000381211332 344485679 /nfs/dbraw/zinc/48/56/79/344485679.db2.gz DZCKFNRMGXMCKP-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO CCCCOCC[N@H+](C)C1CCNCC1 ZINC000049264097 344601433 /nfs/dbraw/zinc/60/14/33/344601433.db2.gz LEJIPASDLXZMIJ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CCCCOCC[N@@H+](C)C1CCNCC1 ZINC000049264097 344601435 /nfs/dbraw/zinc/60/14/35/344601435.db2.gz LEJIPASDLXZMIJ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CCC[C@H](O)C[NH+]1CCC(N(C)C)CC1 ZINC000050193321 344731005 /nfs/dbraw/zinc/73/10/05/344731005.db2.gz DNHONCCQKXUWDI-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO CN1CC=C(C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000487568355 530047483 /nfs/dbraw/zinc/04/74/83/530047483.db2.gz COIHYTIZDRXAAF-NSCUHMNNSA-N 1 3 243.354 1.946 20 0 BDADHO C(CN1CCN2CCCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000227380496 187297241 /nfs/dbraw/zinc/29/72/41/187297241.db2.gz YTWZVWYPEHKWGM-UONOGXRCSA-N 1 3 237.391 1.156 20 0 BDADHO C(N[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000228556074 187298358 /nfs/dbraw/zinc/29/83/58/187298358.db2.gz RMEZHPMMNGDEKS-UWVGGRQHSA-N 1 3 200.351 1.081 20 0 BDADHO CC(C)(CCO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000227909205 187298046 /nfs/dbraw/zinc/29/80/46/187298046.db2.gz PUBRMDGCJPRNHF-RYUDHWBXSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009998 345117227 /nfs/dbraw/zinc/11/72/27/345117227.db2.gz YKLGLHWILXGARU-HZSPNIEDSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156009998 345117230 /nfs/dbraw/zinc/11/72/30/345117230.db2.gz YKLGLHWILXGARU-HZSPNIEDSA-N 1 3 248.374 1.488 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000156572650 345180907 /nfs/dbraw/zinc/18/09/07/345180907.db2.gz BMGOUZFZERTTDL-ZIAGYGMSSA-N 1 3 241.423 1.789 20 0 BDADHO CCN1C[C@@H](C)N(CC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000634994051 345192644 /nfs/dbraw/zinc/19/26/44/345192644.db2.gz PDZWPIMLCORFDQ-IWMBGFJWSA-N 1 3 237.391 1.153 20 0 BDADHO CCN1C[C@@H](C)N(CC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000634994053 345192868 /nfs/dbraw/zinc/19/28/68/345192868.db2.gz PDZWPIMLCORFDQ-MRFVTOPCSA-N 1 3 237.391 1.153 20 0 BDADHO C([NH2+][C@H]1CCCC12CC2)C12CC(C1)CN2 ZINC000634997020 345193857 /nfs/dbraw/zinc/19/38/57/345193857.db2.gz BEGVOTUVVKPQAB-AKJDGMEZSA-N 1 3 206.333 1.661 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCCC23CC3)C1 ZINC000634997594 345197616 /nfs/dbraw/zinc/19/76/16/345197616.db2.gz OOVGMDMKYVSEMM-QJPTWQEYSA-N 1 3 208.349 1.907 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@H]1CN ZINC000635003075 345205808 /nfs/dbraw/zinc/20/58/08/345205808.db2.gz FPNDGGXNKDZKEX-TUAOUCFPSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])[C@@H](C)O1 ZINC000635003428 345206285 /nfs/dbraw/zinc/20/62/85/345206285.db2.gz DBQZFBJSMYEFNR-LBELIVKGSA-N 1 3 226.364 1.802 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H](C)C[C@H](C)N ZINC000635006029 345209939 /nfs/dbraw/zinc/20/99/39/345209939.db2.gz XFTSEWXDMVMKTB-GARJFASQSA-N 1 3 202.342 1.253 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007097 345211144 /nfs/dbraw/zinc/21/11/44/345211144.db2.gz ABHBAEYTAPHYHD-TUAOUCFPSA-N 1 3 228.380 1.778 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@H]1CCOC1 ZINC000635010214 345212892 /nfs/dbraw/zinc/21/28/92/345212892.db2.gz JEVFZKJITWTNSF-AVGNSLFASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010413 345212906 /nfs/dbraw/zinc/21/29/06/345212906.db2.gz ZXIGGBAUOITVPX-AEGPPILISA-N 1 3 248.370 1.714 20 0 BDADHO C[C@@H]1OCC[C@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635010413 345212910 /nfs/dbraw/zinc/21/29/10/345212910.db2.gz ZXIGGBAUOITVPX-AEGPPILISA-N 1 3 248.370 1.714 20 0 BDADHO CCC(O)(CC)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000626111413 345271629 /nfs/dbraw/zinc/27/16/29/345271629.db2.gz NNARTVBXFZTAMJ-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CCC(O)(CC)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000626111413 345271630 /nfs/dbraw/zinc/27/16/30/345271630.db2.gz NNARTVBXFZTAMJ-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CCC(O)(CC)CN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000626111413 345271632 /nfs/dbraw/zinc/27/16/32/345271632.db2.gz NNARTVBXFZTAMJ-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CCC(O)(CC)CN(C)CC[C@@H]1CCC[N@H+]1C ZINC000626111413 345271634 /nfs/dbraw/zinc/27/16/34/345271634.db2.gz NNARTVBXFZTAMJ-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CCSCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000158579099 345351756 /nfs/dbraw/zinc/35/17/56/345351756.db2.gz NEFYHUHYLDXJSM-GHMZBOCLSA-N 1 3 216.394 1.799 20 0 BDADHO CCOCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158829356 345380801 /nfs/dbraw/zinc/38/08/01/345380801.db2.gz DDQLUMBYAJTCLI-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158829356 345380802 /nfs/dbraw/zinc/38/08/02/345380802.db2.gz DDQLUMBYAJTCLI-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158829356 345380803 /nfs/dbraw/zinc/38/08/03/345380803.db2.gz DDQLUMBYAJTCLI-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158829356 345380805 /nfs/dbraw/zinc/38/08/05/345380805.db2.gz DDQLUMBYAJTCLI-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CSCCNC1CC[NH+](C(C)C)CC1 ZINC000070184141 345454479 /nfs/dbraw/zinc/45/44/79/345454479.db2.gz XAUUZUSEHHLECS-UHFFFAOYSA-N 1 3 216.394 1.812 20 0 BDADHO C([NH2+][C@@H]1CCCOCC1)[C@@H]1CCCNC1 ZINC000308811455 187306757 /nfs/dbraw/zinc/30/67/57/187306757.db2.gz COJDFTFJWPJSJH-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO Cc1cc(N2C[C@@H](C)N(CCO)C[C@H]2C)cc[nH+]1 ZINC000418991984 192091526 /nfs/dbraw/zinc/09/15/26/192091526.db2.gz FJZZYBHQENVMTH-CHWSQXEVSA-N 1 3 249.358 1.281 20 0 BDADHO C[C@H]1C[C@@H](NC2C[NH2+]C2)CN1Cc1ccccc1 ZINC000307707842 345926496 /nfs/dbraw/zinc/92/64/96/345926496.db2.gz ZVLDAQXNAAUMPE-GXTWGEPZSA-N 1 3 245.370 1.211 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000300900133 187312672 /nfs/dbraw/zinc/31/26/72/187312672.db2.gz VZKYISKZYHTMRK-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000571038341 323104332 /nfs/dbraw/zinc/10/43/32/323104332.db2.gz MNGRVQWCPJJGLA-FRRDWIJNSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000571038341 323104333 /nfs/dbraw/zinc/10/43/33/323104333.db2.gz MNGRVQWCPJJGLA-FRRDWIJNSA-N 1 3 228.380 1.371 20 0 BDADHO C=Cn1cc(CNCCC2CC[NH+](C)CC2)cn1 ZINC000194356075 187316474 /nfs/dbraw/zinc/31/64/74/187316474.db2.gz KOIUSBJSUYZCCF-UHFFFAOYSA-N 1 3 248.374 1.805 20 0 BDADHO C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CCOC1 ZINC000334278664 187317345 /nfs/dbraw/zinc/31/73/45/187317345.db2.gz POMUBUSWROSZCU-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CCOC1 ZINC000334278664 187317347 /nfs/dbraw/zinc/31/73/47/187317347.db2.gz POMUBUSWROSZCU-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)N[C@H]1CC[C@@H](C)C1 ZINC000641771643 362709872 /nfs/dbraw/zinc/70/98/72/362709872.db2.gz KRYLAGDOQIKBFE-HZSPNIEDSA-N 1 3 242.407 1.857 20 0 BDADHO COCCCCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000300358106 346340440 /nfs/dbraw/zinc/34/04/40/346340440.db2.gz BNMZFLFIBLBRDU-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000577094467 365810864 /nfs/dbraw/zinc/81/08/64/365810864.db2.gz GJXWKXCYCLXKDQ-VOAKCMCISA-N 1 3 228.380 1.514 20 0 BDADHO CCC[C@H]1CNCC[N@@H+]1CCc1cncn1C ZINC000641798144 362739782 /nfs/dbraw/zinc/73/97/82/362739782.db2.gz LJDORQCOVACUQX-ZDUSSCGKSA-N 1 3 236.363 1.037 20 0 BDADHO CCC[C@H]1CNCC[N@H+]1CCc1cncn1C ZINC000641798144 362739785 /nfs/dbraw/zinc/73/97/85/362739785.db2.gz LJDORQCOVACUQX-ZDUSSCGKSA-N 1 3 236.363 1.037 20 0 BDADHO Cc1noc(CCCN[C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800242 362750483 /nfs/dbraw/zinc/75/04/83/362750483.db2.gz AEUAEVUVXUXKEB-UWVGGRQHSA-N 1 3 238.335 1.026 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)C1(C)C)C1CCC1 ZINC000641801551 362756245 /nfs/dbraw/zinc/75/62/45/362756245.db2.gz SEWCYTHWHNMICC-WOPDTQHZSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801551 362756249 /nfs/dbraw/zinc/75/62/49/362756249.db2.gz SEWCYTHWHNMICC-WOPDTQHZSA-N 1 3 226.364 1.517 20 0 BDADHO CCO[C@H](C[NH2+][C@H]1C[C@@H](N)C1(C)C)C1CC1 ZINC000641801981 362758177 /nfs/dbraw/zinc/75/81/77/362758177.db2.gz XFNALPJJFXSNPC-UTUOFQBUSA-N 1 3 226.364 1.517 20 0 BDADHO CCO[C@H](CN[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000641801981 362758181 /nfs/dbraw/zinc/75/81/81/362758181.db2.gz XFNALPJJFXSNPC-UTUOFQBUSA-N 1 3 226.364 1.517 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C1 ZINC000300377541 346530967 /nfs/dbraw/zinc/53/09/67/346530967.db2.gz QZTKOVMFJQZVJE-RNJOBUHISA-N 1 3 226.364 1.397 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000187865714 346635732 /nfs/dbraw/zinc/63/57/32/346635732.db2.gz RDRKDGINXGQPTI-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1[C@H](C)SCCN1C[C@H]1CCC[NH2+]C1 ZINC000252690018 346762258 /nfs/dbraw/zinc/76/22/58/346762258.db2.gz SXSJKYREIGUMPP-WOPDTQHZSA-N 1 3 228.405 1.812 20 0 BDADHO [NH3+]C[C@@H]1CCCN1[C@@H]1CCCSC1 ZINC000168798760 346743858 /nfs/dbraw/zinc/74/38/58/346743858.db2.gz RTPXFDFDEAEDNS-VHSXEESVSA-N 1 3 200.351 1.305 20 0 BDADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000582061731 347155858 /nfs/dbraw/zinc/15/58/58/347155858.db2.gz QKODYCDFYXSITD-VIFPVBQESA-N 1 3 243.257 1.066 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000309634800 347126076 /nfs/dbraw/zinc/12/60/76/347126076.db2.gz JCHVLJCTPACPKI-GFCCVEGCSA-N 1 3 226.364 1.344 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000388357847 347354847 /nfs/dbraw/zinc/35/48/47/347354847.db2.gz JWKSNYBVSCBHRQ-NWDGAFQWSA-N 1 3 214.353 1.520 20 0 BDADHO C[N@H+](C[C@H]1CCCNC1)C[C@@H]1CCCOC1 ZINC000082544740 347795732 /nfs/dbraw/zinc/79/57/32/347795732.db2.gz JBSFWFKUWFUXIL-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO C[N@@H+](C[C@H]1CCCNC1)C[C@@H]1CCCOC1 ZINC000082544740 347795733 /nfs/dbraw/zinc/79/57/33/347795733.db2.gz JBSFWFKUWFUXIL-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082544740 347795734 /nfs/dbraw/zinc/79/57/34/347795734.db2.gz JBSFWFKUWFUXIL-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CN(CC1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000082546004 347800674 /nfs/dbraw/zinc/80/06/74/347800674.db2.gz WPEDRHGQTYYNDK-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)COC)C1 ZINC000151140465 192371145 /nfs/dbraw/zinc/37/11/45/192371145.db2.gz SNOQTMKNSNAEAM-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)COC)C1 ZINC000151140465 192371148 /nfs/dbraw/zinc/37/11/48/192371148.db2.gz SNOQTMKNSNAEAM-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000151140465 192371151 /nfs/dbraw/zinc/37/11/51/192371151.db2.gz SNOQTMKNSNAEAM-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOCC1CCC1 ZINC000577382537 365929429 /nfs/dbraw/zinc/92/94/29/365929429.db2.gz WRCIXKOWMOJINE-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)NCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000577389538 365943011 /nfs/dbraw/zinc/94/30/11/365943011.db2.gz BSTGMYFOLGDDMV-UHFFFAOYSA-N 1 3 221.304 1.082 20 0 BDADHO COC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488010 362911934 /nfs/dbraw/zinc/91/19/34/362911934.db2.gz DRSOOGCEJVNYBN-NEPJUHHUSA-N 1 3 244.379 1.110 20 0 BDADHO COC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488010 362911935 /nfs/dbraw/zinc/91/19/35/362911935.db2.gz DRSOOGCEJVNYBN-NEPJUHHUSA-N 1 3 244.379 1.110 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000361414747 535074526 /nfs/dbraw/zinc/07/45/26/535074526.db2.gz LPXFHXUHBTXAAZ-KGLIPLIRSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000361414747 535074530 /nfs/dbraw/zinc/07/45/30/535074530.db2.gz LPXFHXUHBTXAAZ-KGLIPLIRSA-N 1 3 240.391 1.970 20 0 BDADHO CSCC1(CC[NH2+][C@H](C)C2CNC2)CC1 ZINC000596650228 348605092 /nfs/dbraw/zinc/60/50/92/348605092.db2.gz JWCMFACRSPMHLI-SNVBAGLBSA-N 1 3 228.405 1.717 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829954 362931006 /nfs/dbraw/zinc/93/10/06/362931006.db2.gz NJKWUPZMLQTWIG-YVECIDJPSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829954 362931010 /nfs/dbraw/zinc/93/10/10/362931010.db2.gz NJKWUPZMLQTWIG-YVECIDJPSA-N 1 3 226.364 1.756 20 0 BDADHO CC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528546 362946875 /nfs/dbraw/zinc/94/68/75/362946875.db2.gz SMZPSWIXISAJPH-RYUDHWBXSA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528546 362946880 /nfs/dbraw/zinc/94/68/80/362946880.db2.gz SMZPSWIXISAJPH-RYUDHWBXSA-N 1 3 228.380 1.874 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)COC)C1 ZINC000121866433 350014233 /nfs/dbraw/zinc/01/42/33/350014233.db2.gz GLDMTLVYEQXYEV-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)COC)C1 ZINC000121866433 350014237 /nfs/dbraw/zinc/01/42/37/350014237.db2.gz GLDMTLVYEQXYEV-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000532531149 323273978 /nfs/dbraw/zinc/27/39/78/323273978.db2.gz SBQRJQNMRXEMOI-RDBSUJKOSA-N 1 3 239.407 1.258 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000309210525 350191394 /nfs/dbraw/zinc/19/13/94/350191394.db2.gz DLCRYDDHGKTZIW-UPJWGTAASA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000309210525 350191396 /nfs/dbraw/zinc/19/13/96/350191396.db2.gz DLCRYDDHGKTZIW-UPJWGTAASA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000309210520 350191438 /nfs/dbraw/zinc/19/14/38/350191438.db2.gz DLCRYDDHGKTZIW-AGIUHOORSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000309210520 350191439 /nfs/dbraw/zinc/19/14/39/350191439.db2.gz DLCRYDDHGKTZIW-AGIUHOORSA-N 1 3 228.380 1.277 20 0 BDADHO Cc1nccn1CC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000336711617 180249193 /nfs/dbraw/zinc/24/91/93/180249193.db2.gz RLCSBNKPYSGEJK-CYBMUJFWSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CC[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000336711617 180249195 /nfs/dbraw/zinc/24/91/95/180249195.db2.gz RLCSBNKPYSGEJK-CYBMUJFWSA-N 1 3 236.363 1.218 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H](C)CCSC ZINC000309292291 350256059 /nfs/dbraw/zinc/25/60/59/350256059.db2.gz WBXYJNZGBOGEJE-NEPJUHHUSA-N 1 3 248.436 1.372 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)CCSC ZINC000309292291 350256062 /nfs/dbraw/zinc/25/60/62/350256062.db2.gz WBXYJNZGBOGEJE-NEPJUHHUSA-N 1 3 248.436 1.372 20 0 BDADHO CC[C@H]1CCCN(C[C@H](O)C[N@H+](C)CC)C1 ZINC000309253545 323332967 /nfs/dbraw/zinc/33/29/67/323332967.db2.gz NRQDEHOMIAYHDP-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H]1CCCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000309253545 323332969 /nfs/dbraw/zinc/33/29/69/323332969.db2.gz NRQDEHOMIAYHDP-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCC[C@H]2O)CC[C@H]1[NH3+] ZINC000328218634 350393567 /nfs/dbraw/zinc/39/35/67/350393567.db2.gz XRXZPDBSYHRCPX-YVECIDJPSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)CC[C@H]1N ZINC000328218634 350393571 /nfs/dbraw/zinc/39/35/71/350393571.db2.gz XRXZPDBSYHRCPX-YVECIDJPSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)CC[C@H]1N ZINC000328218634 350393575 /nfs/dbraw/zinc/39/35/75/350393575.db2.gz XRXZPDBSYHRCPX-YVECIDJPSA-N 1 3 226.364 1.207 20 0 BDADHO Cc1ncsc1CNCC1=CC[N@H+](C)CC1 ZINC000271869031 180320880 /nfs/dbraw/zinc/32/08/80/180320880.db2.gz KCCHKDPFAYBNFY-UHFFFAOYSA-N 1 3 237.372 1.803 20 0 BDADHO Cc1ncsc1CNCC1=CC[N@@H+](C)CC1 ZINC000271869031 180320881 /nfs/dbraw/zinc/32/08/81/180320881.db2.gz KCCHKDPFAYBNFY-UHFFFAOYSA-N 1 3 237.372 1.803 20 0 BDADHO CCN1CCC[N@H+](CCn2ccnc2C)CC1 ZINC000336681464 350441480 /nfs/dbraw/zinc/44/14/80/350441480.db2.gz CTROXGRMJJDOSE-UHFFFAOYSA-N 1 3 236.363 1.219 20 0 BDADHO CCN1CCC[N@@H+](CCn2ccnc2C)CC1 ZINC000336681464 350441483 /nfs/dbraw/zinc/44/14/83/350441483.db2.gz CTROXGRMJJDOSE-UHFFFAOYSA-N 1 3 236.363 1.219 20 0 BDADHO Cn1cc(CNCC2(C)CC[NH+](C)CC2)cn1 ZINC000227327962 350492208 /nfs/dbraw/zinc/49/22/08/350492208.db2.gz TTZKXFKAEZWWDC-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@@H]2COCC2(C)C)CC1(C)C ZINC000623541682 362959521 /nfs/dbraw/zinc/95/95/21/362959521.db2.gz TWFZMRDYPGWJTN-NWDGAFQWSA-N 1 3 240.391 1.874 20 0 BDADHO C[N@H+]1CC[C@H](N[C@@H]2COCC2(C)C)CC1(C)C ZINC000623541682 362959525 /nfs/dbraw/zinc/95/95/25/362959525.db2.gz TWFZMRDYPGWJTN-NWDGAFQWSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+]CC2(C)C)O1 ZINC000398097996 363005642 /nfs/dbraw/zinc/00/56/42/363005642.db2.gz QXNWNYKVNYDYSW-WOPDTQHZSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCNCC2(C)C)O1 ZINC000398097996 363005645 /nfs/dbraw/zinc/00/56/45/363005645.db2.gz QXNWNYKVNYDYSW-WOPDTQHZSA-N 1 3 226.364 1.532 20 0 BDADHO CSCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494473 351163435 /nfs/dbraw/zinc/16/34/35/351163435.db2.gz SIMPFOVIOYIVMQ-TUAOUCFPSA-N 1 3 228.405 1.860 20 0 BDADHO COC1(C[N@@H+]2CCC[C@@H](N)C2)CCCC1 ZINC000379945236 351295417 /nfs/dbraw/zinc/29/54/17/351295417.db2.gz QJHQSKAFHGXSMV-LLVKDONJSA-N 1 3 212.337 1.369 20 0 BDADHO COC1(C[N@H+]2CCC[C@@H](N)C2)CCCC1 ZINC000379945236 351295420 /nfs/dbraw/zinc/29/54/20/351295420.db2.gz QJHQSKAFHGXSMV-LLVKDONJSA-N 1 3 212.337 1.369 20 0 BDADHO Cc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000391121430 259419973 /nfs/dbraw/zinc/41/99/73/259419973.db2.gz JKWXQCRMWQFJPG-CHWSQXEVSA-N 1 3 219.332 1.607 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cn1 ZINC000577739767 366049472 /nfs/dbraw/zinc/04/94/72/366049472.db2.gz KPLCOFNCIDCPEY-TZMCWYRMSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000577739767 366049473 /nfs/dbraw/zinc/04/94/73/366049473.db2.gz KPLCOFNCIDCPEY-TZMCWYRMSA-N 1 3 248.374 1.435 20 0 BDADHO CCN1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000020128940 351941448 /nfs/dbraw/zinc/94/14/48/351941448.db2.gz PVDFUYLDWPXKMZ-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638197410 352059534 /nfs/dbraw/zinc/05/95/34/352059534.db2.gz JOMMECPTMKDSOO-UTUOFQBUSA-N 1 3 241.379 1.136 20 0 BDADHO CN(CC(=O)NC(C)(C)CC[NH3+])CC(C)(C)C ZINC000638356246 352168862 /nfs/dbraw/zinc/16/88/62/352168862.db2.gz ZBBOELPWFVYZCD-UHFFFAOYSA-N 1 3 243.395 1.208 20 0 BDADHO Cc1ccc(CNCC2(C)CC[NH2+]CC2)nc1 ZINC000414900223 352176380 /nfs/dbraw/zinc/17/63/80/352176380.db2.gz IAJQEORZZCWHKC-UHFFFAOYSA-N 1 3 233.359 1.869 20 0 BDADHO C[C@H](C[NH3+])C(=O)N1CCCc2cccc(CN)c21 ZINC000638543699 352373986 /nfs/dbraw/zinc/37/39/86/352373986.db2.gz OBQYFWUUIDLNPQ-SNVBAGLBSA-N 1 3 247.342 1.019 20 0 BDADHO CCC[C@H](CC)NC[C@]1(COC)CCC[NH2+]1 ZINC000414955861 352375286 /nfs/dbraw/zinc/37/52/86/352375286.db2.gz NUAYESLVZXZPHB-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO C[C@@H]1C[C@H](NC2CSC2)CC[N@@H+]1C ZINC000307677800 352755005 /nfs/dbraw/zinc/75/50/05/352755005.db2.gz MLDNZPWJOGVGTH-RKDXNWHRSA-N 1 3 200.351 1.174 20 0 BDADHO C[C@@H]1C[C@H](NC2CSC2)CC[N@H+]1C ZINC000307677800 352755007 /nfs/dbraw/zinc/75/50/07/352755007.db2.gz MLDNZPWJOGVGTH-RKDXNWHRSA-N 1 3 200.351 1.174 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412097252 191260933 /nfs/dbraw/zinc/26/09/33/191260933.db2.gz UZBQVCLYHVVSKF-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412097252 191260936 /nfs/dbraw/zinc/26/09/36/191260936.db2.gz UZBQVCLYHVVSKF-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)N(C)C ZINC000638816419 352997178 /nfs/dbraw/zinc/99/71/78/352997178.db2.gz SCDVPOSZJHWPEF-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000638938932 353121209 /nfs/dbraw/zinc/12/12/09/353121209.db2.gz ZFSRTLKYYSODQA-KGYLQXTDSA-N 1 3 247.342 1.025 20 0 BDADHO Cc1nn(C)cc1CN1CCC[C@H](CC[NH3+])C1 ZINC000128258587 188047893 /nfs/dbraw/zinc/04/78/93/188047893.db2.gz JYCVTVSQGIAMRJ-GFCCVEGCSA-N 1 3 236.363 1.289 20 0 BDADHO CCN(CC)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996395 353232341 /nfs/dbraw/zinc/23/23/41/353232341.db2.gz GXLVJVSFWJPCMD-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCCN(C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638997854 353240305 /nfs/dbraw/zinc/24/03/05/353240305.db2.gz YEHSMYAMZYQGJF-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252981076 353313689 /nfs/dbraw/zinc/31/36/89/353313689.db2.gz PNSFULHJDVNAFF-MXWKQRLJSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCSC2)C1 ZINC000252981076 353313691 /nfs/dbraw/zinc/31/36/91/353313691.db2.gz PNSFULHJDVNAFF-MXWKQRLJSA-N 1 3 214.378 1.742 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000226541526 538116728 /nfs/dbraw/zinc/11/67/28/538116728.db2.gz QLNCLPXQOMMNJI-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000405461622 353497214 /nfs/dbraw/zinc/49/72/14/353497214.db2.gz IUROQWWGKUNSIR-NEPJUHHUSA-N 1 3 204.317 1.902 20 0 BDADHO CN(CCC[NH+]1CCCC1)CC[C@@H]1CCOC1 ZINC000343627882 353948256 /nfs/dbraw/zinc/94/82/56/353948256.db2.gz VRKUXSWICMGYET-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000344068296 354131887 /nfs/dbraw/zinc/13/18/87/354131887.db2.gz VGXPXKODCKVSGM-IHRRRGAJSA-N 1 3 241.423 1.647 20 0 BDADHO CN(C)CCN(C)CCC[N@H+](C)CC1CC1 ZINC000344039783 354104964 /nfs/dbraw/zinc/10/49/64/354104964.db2.gz URRXSGCCRYZVDP-UHFFFAOYSA-N 1 3 227.396 1.212 20 0 BDADHO CN(C)CCN(C)CCC[N@@H+](C)CC1CC1 ZINC000344039783 354104966 /nfs/dbraw/zinc/10/49/66/354104966.db2.gz URRXSGCCRYZVDP-UHFFFAOYSA-N 1 3 227.396 1.212 20 0 BDADHO CCC[NH+](CCC)CCN1CCN(CC)CC1 ZINC000344117094 354142199 /nfs/dbraw/zinc/14/21/99/354142199.db2.gz AZCOPQJTPQAASA-UHFFFAOYSA-N 1 3 241.423 1.746 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680522 202000859 /nfs/dbraw/zinc/00/08/59/202000859.db2.gz BZSUCJGPLSCWLN-DGCLKSJQSA-N 1 3 241.379 1.152 20 0 BDADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNC2 ZINC000449673607 202001537 /nfs/dbraw/zinc/00/15/37/202001537.db2.gz PHPYHQYMHIUBNA-CYBMUJFWSA-N 1 3 247.342 1.459 20 0 BDADHO CCCC[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449686769 202002749 /nfs/dbraw/zinc/00/27/49/202002749.db2.gz YBLCGQASRBGSHC-RYUDHWBXSA-N 1 3 241.379 1.152 20 0 BDADHO C[C@@H]1CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000231675927 363347893 /nfs/dbraw/zinc/34/78/93/363347893.db2.gz ZKTZMWRSFBSUQN-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCN(CCC[NH+](C)C)C[C@]1(OC)CCOC1 ZINC000639176559 354199856 /nfs/dbraw/zinc/19/98/56/354199856.db2.gz YMYWZHHVGYKMPU-CYBMUJFWSA-N 1 3 244.379 1.066 20 0 BDADHO Cc1cn[nH]c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334584769 354207214 /nfs/dbraw/zinc/20/72/14/354207214.db2.gz IKHFEGOBAJISCK-ZDUSSCGKSA-N 1 3 248.374 1.682 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCC2=CCCOC2)[C@@H](C)C1 ZINC000344511174 354291540 /nfs/dbraw/zinc/29/15/40/354291540.db2.gz IINBRCMIBPJHGX-GXTWGEPZSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@@H](NCC2=CCCOC2)[C@@H](C)C1 ZINC000344511174 354291543 /nfs/dbraw/zinc/29/15/43/354291543.db2.gz IINBRCMIBPJHGX-GXTWGEPZSA-N 1 3 238.375 1.653 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000334615297 354300970 /nfs/dbraw/zinc/30/09/70/354300970.db2.gz HPHSXXWNFHFHFA-CHWSQXEVSA-N 1 3 244.342 1.922 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000344772167 354359823 /nfs/dbraw/zinc/35/98/23/354359823.db2.gz MMWWIBIADFUOHD-KGLIPLIRSA-N 1 3 241.423 1.648 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC000334674111 354416657 /nfs/dbraw/zinc/41/66/57/354416657.db2.gz IWLXLRXZBDQDKA-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO C[N@H+]1CCC[C@]2(CCN(CCn3ccnc3)C2)C1 ZINC000334674111 354416660 /nfs/dbraw/zinc/41/66/60/354416660.db2.gz IWLXLRXZBDQDKA-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203044 354609027 /nfs/dbraw/zinc/60/90/27/354609027.db2.gz GBNCQDSNXSXKMB-CQSZACIVSA-N 1 3 247.342 1.315 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203044 354609029 /nfs/dbraw/zinc/60/90/29/354609029.db2.gz GBNCQDSNXSXKMB-CQSZACIVSA-N 1 3 247.342 1.315 20 0 BDADHO CCC[C@@H](CN1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000639204287 354616012 /nfs/dbraw/zinc/61/60/12/354616012.db2.gz QIDBTGDHDJLBFW-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@@H](CN1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204287 354616013 /nfs/dbraw/zinc/61/60/13/354616013.db2.gz QIDBTGDHDJLBFW-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000345877751 354794515 /nfs/dbraw/zinc/79/45/15/354794515.db2.gz CLHHKVVWQBJSEA-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000345877751 354794519 /nfs/dbraw/zinc/79/45/19/354794519.db2.gz CLHHKVVWQBJSEA-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](CNC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000346000973 354836844 /nfs/dbraw/zinc/83/68/44/354836844.db2.gz BVRCKROUPYLCER-BPLDGKMQSA-N 1 3 248.370 1.350 20 0 BDADHO CC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000335150183 354864359 /nfs/dbraw/zinc/86/43/59/354864359.db2.gz OYYBBACYGJAFSC-UHFFFAOYSA-N 1 3 239.407 1.356 20 0 BDADHO C[C@H](CC(N)=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000346865938 355133280 /nfs/dbraw/zinc/13/32/80/355133280.db2.gz OVOJKJKKFZRTPS-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC(N)=O)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000346865938 355133283 /nfs/dbraw/zinc/13/32/83/355133283.db2.gz OVOJKJKKFZRTPS-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)(C)C[N@H+](CCCO)C[C@H]1CCCNC1 ZINC000346841748 355133445 /nfs/dbraw/zinc/13/34/45/355133445.db2.gz HGICORFJYPUMBP-ZDUSSCGKSA-N 1 3 242.407 1.717 20 0 BDADHO CC(C)(C)C[N@@H+](CCCO)C[C@H]1CCCNC1 ZINC000346841748 355133449 /nfs/dbraw/zinc/13/34/49/355133449.db2.gz HGICORFJYPUMBP-ZDUSSCGKSA-N 1 3 242.407 1.717 20 0 BDADHO CCOC[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346996102 355194958 /nfs/dbraw/zinc/19/49/58/355194958.db2.gz WJDWGJLQAHVVMS-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346996102 355194960 /nfs/dbraw/zinc/19/49/60/355194960.db2.gz WJDWGJLQAHVVMS-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346996102 355194964 /nfs/dbraw/zinc/19/49/64/355194964.db2.gz WJDWGJLQAHVVMS-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC(=O)C[C@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000346997565 355196176 /nfs/dbraw/zinc/19/61/76/355196176.db2.gz WZDZPTOSTUOXHF-NWDGAFQWSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346997565 355196179 /nfs/dbraw/zinc/19/61/79/355196179.db2.gz WZDZPTOSTUOXHF-NWDGAFQWSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346997565 355196181 /nfs/dbraw/zinc/19/61/81/355196181.db2.gz WZDZPTOSTUOXHF-NWDGAFQWSA-N 1 3 240.347 1.014 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)CCO1 ZINC000388887746 355319582 /nfs/dbraw/zinc/31/95/82/355319582.db2.gz KTBVINQEKJJXDV-FDYHWXHSSA-N 1 3 226.364 1.519 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261583540 535285900 /nfs/dbraw/zinc/28/59/00/535285900.db2.gz PCRBHLMIQRRLTR-RWMBFGLXSA-N 1 3 228.380 1.501 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CCCCO ZINC000349922297 355528701 /nfs/dbraw/zinc/52/87/01/355528701.db2.gz QOUWRGKHPRHZGL-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CCCCO ZINC000349922297 355528703 /nfs/dbraw/zinc/52/87/03/355528703.db2.gz QOUWRGKHPRHZGL-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CC(C)NCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000582175472 355577644 /nfs/dbraw/zinc/57/76/44/355577644.db2.gz QYIMYGCQNKDNBQ-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000353997171 355776753 /nfs/dbraw/zinc/77/67/53/355776753.db2.gz QMPAYROBLSJJCW-VXGBXAGGSA-N 1 3 237.347 1.598 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000353997171 355776755 /nfs/dbraw/zinc/77/67/55/355776755.db2.gz QMPAYROBLSJJCW-VXGBXAGGSA-N 1 3 237.347 1.598 20 0 BDADHO CC(C)(O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000389197677 355839522 /nfs/dbraw/zinc/83/95/22/355839522.db2.gz BMSUVYBKPRHEPB-ZJUUUORDSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)(O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000389197677 355839524 /nfs/dbraw/zinc/83/95/24/355839524.db2.gz BMSUVYBKPRHEPB-ZJUUUORDSA-N 1 3 200.326 1.007 20 0 BDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)N(C)C ZINC000350898354 355870759 /nfs/dbraw/zinc/87/07/59/355870759.db2.gz VIRMPLGXFSZXHZ-NWDGAFQWSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CC1(F)F ZINC000666444464 491088529 /nfs/dbraw/zinc/08/85/29/491088529.db2.gz GIOJZEOZHRVNET-UTLUCORTSA-N 1 3 220.307 1.960 20 0 BDADHO Nc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccn1 ZINC000420316405 192213124 /nfs/dbraw/zinc/21/31/24/192213124.db2.gz YCLQABWQWADEHZ-AVGNSLFASA-N 1 3 246.358 1.053 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420318308 192214578 /nfs/dbraw/zinc/21/45/78/192214578.db2.gz OKHRZPUJTQEGBO-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422898010 192501164 /nfs/dbraw/zinc/50/11/64/192501164.db2.gz DGWCMBYSWKVCGX-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO CN(CC[N@H+](C)C1(CN)CCC1)c1ccccc1 ZINC000420337957 192216306 /nfs/dbraw/zinc/21/63/06/192216306.db2.gz XMVSXXCNSPODCM-UHFFFAOYSA-N 1 3 247.386 1.936 20 0 BDADHO CN(CC[N@@H+](C)C1(CN)CCC1)c1ccccc1 ZINC000420337957 192216308 /nfs/dbraw/zinc/21/63/08/192216308.db2.gz XMVSXXCNSPODCM-UHFFFAOYSA-N 1 3 247.386 1.936 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000336138899 134096635 /nfs/dbraw/zinc/09/66/35/134096635.db2.gz SRTQKIAPNVFTLN-CQSZACIVSA-N 1 3 238.375 1.749 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC2=CCCOC2)CC1 ZINC000336138899 134096636 /nfs/dbraw/zinc/09/66/36/134096636.db2.gz SRTQKIAPNVFTLN-CQSZACIVSA-N 1 3 238.375 1.749 20 0 BDADHO CCCCOCCN[C@@H](C[NH3+])C(C)(C)C ZINC000420352987 192217782 /nfs/dbraw/zinc/21/77/82/192217782.db2.gz BDYJREGWPDDJLY-NSHDSACASA-N 1 3 216.369 1.766 20 0 BDADHO C[C@@H]1CCC[C@@H](CC[N@H+](C)C[C@@H](O)CN)C1 ZINC000420353672 192218239 /nfs/dbraw/zinc/21/82/39/192218239.db2.gz NQFFEJVXKVXSLQ-AGIUHOORSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)C[C@@H](O)CN)C1 ZINC000420353672 192218241 /nfs/dbraw/zinc/21/82/41/192218241.db2.gz NQFFEJVXKVXSLQ-AGIUHOORSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@@H](CCN(C)C[C@@H](O)C[NH3+])C1 ZINC000420353672 192218243 /nfs/dbraw/zinc/21/82/43/192218243.db2.gz NQFFEJVXKVXSLQ-AGIUHOORSA-N 1 3 228.380 1.454 20 0 BDADHO COCCC[N@H+](CCCN)CC1CCCC1 ZINC000420306770 192209732 /nfs/dbraw/zinc/20/97/32/192209732.db2.gz BGVXTGOLMWIZEQ-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO COCCC[N@@H+](CCCN)CC1CCCC1 ZINC000420306770 192209734 /nfs/dbraw/zinc/20/97/34/192209734.db2.gz BGVXTGOLMWIZEQ-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO CC(C)[NH2+]C1CCN(C[C@@H]2CCO[C@H]2C)CC1 ZINC000639527513 356376661 /nfs/dbraw/zinc/37/66/61/356376661.db2.gz RRNJYFKTUNFHGE-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CCOCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420371927 192229674 /nfs/dbraw/zinc/22/96/74/192229674.db2.gz PWWISKRHNSXEJI-GFCCVEGCSA-N 1 3 214.353 1.520 20 0 BDADHO CCC[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420355723 192220386 /nfs/dbraw/zinc/22/03/86/192220386.db2.gz FQQUDZPKYAMPKE-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CN(C[C@@H](O)C[NH3+])[C@H]1CCCc2ccccc21 ZINC000420356618 192220870 /nfs/dbraw/zinc/22/08/70/192220870.db2.gz RCCOURJRCBQFBS-JSGCOSHPSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@H+](C[C@@H](O)CN)[C@H]1CCCc2ccccc21 ZINC000420356618 192220872 /nfs/dbraw/zinc/22/08/72/192220872.db2.gz RCCOURJRCBQFBS-JSGCOSHPSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@@H+](C[C@@H](O)CN)[C@H]1CCCc2ccccc21 ZINC000420356618 192220874 /nfs/dbraw/zinc/22/08/74/192220874.db2.gz RCCOURJRCBQFBS-JSGCOSHPSA-N 1 3 234.343 1.315 20 0 BDADHO CCN1CCN(CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000352657621 356397812 /nfs/dbraw/zinc/39/78/12/356397812.db2.gz BDLULNYINRQGQD-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCOCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420381871 192234529 /nfs/dbraw/zinc/23/45/29/192234529.db2.gz CUMLKTUQZWFRLT-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420393473 192236668 /nfs/dbraw/zinc/23/66/68/192236668.db2.gz CDPGFOXIUJUZOZ-CABCVRRESA-N 1 3 247.386 1.631 20 0 BDADHO COCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682356 356592139 /nfs/dbraw/zinc/59/21/39/356592139.db2.gz UMRPEXQXDRWESA-UHFFFAOYSA-N 1 3 235.331 1.240 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1(C)C ZINC000423011606 192538790 /nfs/dbraw/zinc/53/87/90/192538790.db2.gz BCMUUNBWAJCBQQ-CSYMLDBXSA-N 1 3 228.380 1.761 20 0 BDADHO Cn1cncc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639756931 356663806 /nfs/dbraw/zinc/66/38/06/356663806.db2.gz AKEUXSVFNPEQRM-UHFFFAOYSA-N 1 3 248.374 1.338 20 0 BDADHO CCC[C@@H](O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000450339547 202134853 /nfs/dbraw/zinc/13/48/53/202134853.db2.gz RDXLCBJKPYMCLB-CQSZACIVSA-N 1 3 242.407 1.952 20 0 BDADHO Cc1nc(CN2CCC3(C2)CC[NH+](C)CC3)n[nH]1 ZINC000639754473 356656287 /nfs/dbraw/zinc/65/62/87/356656287.db2.gz AHBJQFYOLSCJBD-UHFFFAOYSA-N 1 3 249.362 1.031 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCC[C@H]2CN)CCC1 ZINC000423135617 192580936 /nfs/dbraw/zinc/58/09/36/192580936.db2.gz OBJGBPXBAGJQAM-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO C[N@@H+]1CC[C@H](NCCn2ccnc2)CC1(C)C ZINC000623338624 356734652 /nfs/dbraw/zinc/73/46/52/356734652.db2.gz IXVAFBBAHJXIFG-LBPRGKRZSA-N 1 3 236.363 1.346 20 0 BDADHO C[N@H+]1CC[C@H](NCCn2ccnc2)CC1(C)C ZINC000623338624 356734657 /nfs/dbraw/zinc/73/46/57/356734657.db2.gz IXVAFBBAHJXIFG-LBPRGKRZSA-N 1 3 236.363 1.346 20 0 BDADHO CC[C@H]1CCCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000383698758 538664612 /nfs/dbraw/zinc/66/46/12/538664612.db2.gz VGLADBNNUUTJCX-KBPBESRZSA-N 1 3 242.407 1.952 20 0 BDADHO CC[C@H]1CCCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383698758 538664615 /nfs/dbraw/zinc/66/46/15/538664615.db2.gz VGLADBNNUUTJCX-KBPBESRZSA-N 1 3 242.407 1.952 20 0 BDADHO CCc1cc(NCCN2CCCOCC2)cc[nH+]1 ZINC000450475073 202177836 /nfs/dbraw/zinc/17/78/36/202177836.db2.gz VJLLTZLHYQIMSQ-UHFFFAOYSA-N 1 3 249.358 1.200 20 0 BDADHO CCOCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361122 356807310 /nfs/dbraw/zinc/80/73/10/356807310.db2.gz OCRANHDHEUOCHC-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO CCOCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361122 356807311 /nfs/dbraw/zinc/80/73/11/356807311.db2.gz OCRANHDHEUOCHC-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)CC ZINC000423165740 192603024 /nfs/dbraw/zinc/60/30/24/192603024.db2.gz UUQLUMKFWSHTRC-KTCIRNNBSA-N 1 3 226.364 1.409 20 0 BDADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000353536560 538749753 /nfs/dbraw/zinc/74/97/53/538749753.db2.gz YDFINWMNEMECKM-QWHCGFSZSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H](CO)C1 ZINC000423195046 192620975 /nfs/dbraw/zinc/62/09/75/192620975.db2.gz XHXBHGXIIPLBJQ-LPWJVIDDSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCCC[NH3+] ZINC000389783439 357031279 /nfs/dbraw/zinc/03/12/79/357031279.db2.gz JSTMEGMHFJWMSC-UKRRQHHQSA-N 1 3 247.386 1.445 20 0 BDADHO COCC[NH2+]C1CCN(CC2CCC2)CC1 ZINC000582365402 357111904 /nfs/dbraw/zinc/11/19/04/357111904.db2.gz TUOVQUMPEVKDQJ-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)[C@H](C)O ZINC000582415377 357140522 /nfs/dbraw/zinc/14/05/22/357140522.db2.gz QYLQADXWPTUIMS-NEPJUHHUSA-N 1 3 236.359 1.607 20 0 BDADHO CC(C)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374420306 357160219 /nfs/dbraw/zinc/16/02/19/357160219.db2.gz LECCIDXFUONFQU-MGPQQGTHSA-N 1 3 240.391 1.826 20 0 BDADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000391143186 357122710 /nfs/dbraw/zinc/12/27/10/357122710.db2.gz SCHCDIOIABNPPQ-OLZOCXBDSA-N 1 3 219.332 1.750 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000393605133 357289051 /nfs/dbraw/zinc/28/90/51/357289051.db2.gz XSYKRXDAYZRUBC-QWRGUYRKSA-N 1 3 228.380 1.643 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000393605133 357289056 /nfs/dbraw/zinc/28/90/56/357289056.db2.gz XSYKRXDAYZRUBC-QWRGUYRKSA-N 1 3 228.380 1.643 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000393605131 357289478 /nfs/dbraw/zinc/28/94/78/357289478.db2.gz XSYKRXDAYZRUBC-GHMZBOCLSA-N 1 3 228.380 1.643 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393605131 357289482 /nfs/dbraw/zinc/28/94/82/357289482.db2.gz XSYKRXDAYZRUBC-GHMZBOCLSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1nccnc1[C@@H](C)NCC[C@H]1CCC[NH2+]C1 ZINC000423283972 192676369 /nfs/dbraw/zinc/67/63/69/192676369.db2.gz XVHZPHKGOZLECD-DGCLKSJQSA-N 1 3 248.374 1.825 20 0 BDADHO COC1CC([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000628425274 357253013 /nfs/dbraw/zinc/25/30/13/357253013.db2.gz GDZSKEKYFSBJOV-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCC[C@H]1O ZINC000393244023 357279503 /nfs/dbraw/zinc/27/95/03/357279503.db2.gz NJBCPXSWQWYFON-FDYHWXHSSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000393244023 357279504 /nfs/dbraw/zinc/27/95/04/357279504.db2.gz NJBCPXSWQWYFON-FDYHWXHSSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000393244023 357279505 /nfs/dbraw/zinc/27/95/05/357279505.db2.gz NJBCPXSWQWYFON-FDYHWXHSSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccoc1 ZINC000582480858 357316688 /nfs/dbraw/zinc/31/66/88/357316688.db2.gz ODZGHKKSKUTWRX-JTQLQIEISA-N 1 3 206.289 1.850 20 0 BDADHO Cc1cnn(C)c1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000394864862 357384561 /nfs/dbraw/zinc/38/45/61/357384561.db2.gz SVESRHZMWHVXPQ-LBPRGKRZSA-N 1 3 236.363 1.160 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC000230479195 357526180 /nfs/dbraw/zinc/52/61/80/357526180.db2.gz VASLZAAJWNIYEP-YPMHNXCESA-N 1 3 228.380 1.373 20 0 BDADHO CCC(CC)[C@@H](O)C[NH2+]C[C@@H]1CCCNC1 ZINC000230479195 357526183 /nfs/dbraw/zinc/52/61/83/357526183.db2.gz VASLZAAJWNIYEP-YPMHNXCESA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000397730454 357674177 /nfs/dbraw/zinc/67/41/77/357674177.db2.gz PXHNBLRBZCWBFF-SDDRHHMPSA-N 1 3 214.353 1.255 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000640035853 358135503 /nfs/dbraw/zinc/13/55/03/358135503.db2.gz OARWHLRMHRMYEL-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@](O)(CC)C1 ZINC000640035853 358135504 /nfs/dbraw/zinc/13/55/04/358135504.db2.gz OARWHLRMHRMYEL-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421195 358165626 /nfs/dbraw/zinc/16/56/26/358165626.db2.gz BEEAECBAEGOJHZ-VXGBXAGGSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421195 358165632 /nfs/dbraw/zinc/16/56/32/358165632.db2.gz BEEAECBAEGOJHZ-VXGBXAGGSA-N 1 3 228.380 1.466 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H](C)CO ZINC000450736816 202250886 /nfs/dbraw/zinc/25/08/86/202250886.db2.gz GXEIUIAWIHMJPE-NWDGAFQWSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)[C@@H](C)CO ZINC000450736816 202250887 /nfs/dbraw/zinc/25/08/87/202250887.db2.gz GXEIUIAWIHMJPE-NWDGAFQWSA-N 1 3 216.369 1.325 20 0 BDADHO C[N@H+](CCNC(=O)C(C)(C)N)C1CCCCC1 ZINC000077388846 325376940 /nfs/dbraw/zinc/37/69/40/325376940.db2.gz MCVHZLCCDLKRLK-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO C[N@@H+](CCNC(=O)C(C)(C)N)C1CCCCC1 ZINC000077388846 325376942 /nfs/dbraw/zinc/37/69/42/325376942.db2.gz MCVHZLCCDLKRLK-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CC1CC1)[NH2+]CCOCCN(C)C ZINC000219303380 134281261 /nfs/dbraw/zinc/28/12/61/134281261.db2.gz RDLXWLLSUSMKPT-NSHDSACASA-N 1 3 214.353 1.343 20 0 BDADHO COC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000050068526 358712533 /nfs/dbraw/zinc/71/25/33/358712533.db2.gz JCEHCDLDUXEOAI-LBPRGKRZSA-N 1 3 242.363 1.356 20 0 BDADHO COC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000050068526 358712534 /nfs/dbraw/zinc/71/25/34/358712534.db2.gz JCEHCDLDUXEOAI-LBPRGKRZSA-N 1 3 242.363 1.356 20 0 BDADHO CC(C)CCOCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403845 358968086 /nfs/dbraw/zinc/96/80/86/358968086.db2.gz MDRPNNDBVAJWQO-QWHCGFSZSA-N 1 3 228.380 1.909 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000069858061 359034842 /nfs/dbraw/zinc/03/48/42/359034842.db2.gz BNQPMUFJMMTNFP-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000069859071 359034987 /nfs/dbraw/zinc/03/49/87/359034987.db2.gz KIZBMCGXARNUJA-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO COC(=O)c1coc([C@@H](C)NCCCC[NH3+])c1 ZINC000423327936 192707902 /nfs/dbraw/zinc/70/79/02/192707902.db2.gz NJMDDCBOLKQIMY-SECBINFHSA-N 1 3 240.303 1.456 20 0 BDADHO C(N[C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CC[NH2+]C1 ZINC000423329907 192709772 /nfs/dbraw/zinc/70/97/72/192709772.db2.gz FOUJEODIFJIARY-QNWHQSFQSA-N 1 3 236.359 1.143 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423362086 192732107 /nfs/dbraw/zinc/73/21/07/192732107.db2.gz MSRUHQHVSUMVMI-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO CC[C@H](N[C@H](C)[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448581 192772900 /nfs/dbraw/zinc/77/29/00/192772900.db2.gz QOMNURWSOALHDO-MXWKQRLJSA-N 1 3 242.363 1.434 20 0 BDADHO CN1CCC([NH2+]C[C@H]2CCCN(C)C2)CC1 ZINC000044535166 359707972 /nfs/dbraw/zinc/70/79/72/359707972.db2.gz CPJLASQHADVAHK-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO C1C[C@H]2C[C@H]([NH2+]C3CCOCC3)CCN2C1 ZINC000090714579 360085357 /nfs/dbraw/zinc/08/53/57/360085357.db2.gz BVZBHRHPPHGKLX-OLZOCXBDSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@H](NC3CCOCC3)CC[N@@H+]2C1 ZINC000090714579 360085361 /nfs/dbraw/zinc/08/53/61/360085361.db2.gz BVZBHRHPPHGKLX-OLZOCXBDSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@H](NC3CCOCC3)CC[N@H+]2C1 ZINC000090714579 360085362 /nfs/dbraw/zinc/08/53/62/360085362.db2.gz BVZBHRHPPHGKLX-OLZOCXBDSA-N 1 3 224.348 1.382 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392074 360113714 /nfs/dbraw/zinc/11/37/14/360113714.db2.gz FIANRIORAXJUIG-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO [NH3+]CCCOCCNCc1cccc(Cl)c1 ZINC000629398622 361049368 /nfs/dbraw/zinc/04/93/68/361049368.db2.gz VTVLLXKOHNIUGG-UHFFFAOYSA-N 1 3 242.750 1.795 20 0 BDADHO CCO[C@@H](CN[C@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514467 361112427 /nfs/dbraw/zinc/11/24/27/361112427.db2.gz MCQCTAIOUNLFHH-QWHCGFSZSA-N 1 3 226.364 1.519 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccccc1F ZINC000629528656 361137178 /nfs/dbraw/zinc/13/71/78/361137178.db2.gz GDODTLTUJGUXPT-NSHDSACASA-N 1 3 240.322 1.712 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cncc(F)c1 ZINC000629529265 361138051 /nfs/dbraw/zinc/13/80/51/361138051.db2.gz WYVFOUKZYJBJFY-JTQLQIEISA-N 1 3 241.310 1.107 20 0 BDADHO CCO[C@@H](C[N@@H+]1CC[C@](C)(CN)C1)C1CC1 ZINC000629530679 361145811 /nfs/dbraw/zinc/14/58/11/361145811.db2.gz NHXYJVDIIDJGRA-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H](C[N@H+]1CC[C@](C)(CN)C1)C1CC1 ZINC000629530679 361145812 /nfs/dbraw/zinc/14/58/12/361145812.db2.gz NHXYJVDIIDJGRA-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)CC[C@H](CO)N[C@H](C)C[C@@H](C)[NH3+] ZINC000629524554 361124275 /nfs/dbraw/zinc/12/42/75/361124275.db2.gz SBRALMUVAWLBBX-IJLUTSLNSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000579112491 366713057 /nfs/dbraw/zinc/71/30/57/366713057.db2.gz HZHVRYNRCDWVFE-NSHDSACASA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000579112491 366713059 /nfs/dbraw/zinc/71/30/59/366713059.db2.gz HZHVRYNRCDWVFE-NSHDSACASA-N 1 3 214.353 1.079 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)c2ccccc2)C1 ZINC000579140600 366722880 /nfs/dbraw/zinc/72/28/80/366722880.db2.gz JSQBLNDEHCLQQS-RBSFLKMASA-N 1 3 248.370 1.622 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)c2ccccc2)C1 ZINC000579140600 366722885 /nfs/dbraw/zinc/72/28/85/366722885.db2.gz JSQBLNDEHCLQQS-RBSFLKMASA-N 1 3 248.370 1.622 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CC1(F)F ZINC000622044040 370672740 /nfs/dbraw/zinc/67/27/40/370672740.db2.gz SEMBPWLOZQAZTG-YIZRAAEISA-N 1 3 206.280 1.747 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000622044037 370675432 /nfs/dbraw/zinc/67/54/32/370675432.db2.gz SEMBPWLOZQAZTG-CIUDSAMLSA-N 1 3 206.280 1.747 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428483752 201024188 /nfs/dbraw/zinc/02/41/88/201024188.db2.gz KEUBZCJVZHFSDB-GFCCVEGCSA-N 1 3 241.379 1.282 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428939604 201049984 /nfs/dbraw/zinc/04/99/84/201049984.db2.gz ATSIQQASPNAMQM-LOWVWBTDSA-N 1 3 241.379 1.008 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428939606 201050341 /nfs/dbraw/zinc/05/03/41/201050341.db2.gz ATSIQQASPNAMQM-WZRBSPASSA-N 1 3 241.379 1.008 20 0 BDADHO CCCN(C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000429107857 201067324 /nfs/dbraw/zinc/06/73/24/201067324.db2.gz RTAOGYBIOFWPFD-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO Cc1ccncc1[C@@H](C)NCCOCCC[NH3+] ZINC000629536306 361398484 /nfs/dbraw/zinc/39/84/84/361398484.db2.gz GFEKKMGSHHSLNK-GFCCVEGCSA-N 1 3 237.347 1.406 20 0 BDADHO Cc1cc([C@H](C)NCCOCCC[NH3+])oc1C ZINC000629539995 361413092 /nfs/dbraw/zinc/41/30/92/361413092.db2.gz RLZMQIGRWJYDPA-NSHDSACASA-N 1 3 240.347 1.912 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000629548647 361434501 /nfs/dbraw/zinc/43/45/01/361434501.db2.gz OLFZUHWARZYFAK-MROQNXINSA-N 1 3 224.348 1.413 20 0 BDADHO CO[C@H]1C[C@@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000629554353 361441498 /nfs/dbraw/zinc/44/14/98/361441498.db2.gz HYHXPJGKRGDGJE-RVMXOQNASA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000629554343 361441826 /nfs/dbraw/zinc/44/18/26/361441826.db2.gz HVPVZQYEZCNOAX-NDBYEHHHSA-N 1 3 226.364 1.389 20 0 BDADHO CN(CCN[C@@H]1CCCCC[C@H]1[NH3+])CC(F)F ZINC000629556409 361449977 /nfs/dbraw/zinc/44/99/77/361449977.db2.gz PBMSGHQDXZATIX-GHMZBOCLSA-N 1 3 249.349 1.433 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[NH+](C1CC1)C1CC1 ZINC000629569693 361461477 /nfs/dbraw/zinc/46/14/77/361461477.db2.gz YUZICSVPCWTRJF-LBPRGKRZSA-N 1 3 222.332 1.134 20 0 BDADHO CCc1ccccc1CN(C)CCOCC[NH3+] ZINC000629578827 361465123 /nfs/dbraw/zinc/46/51/23/361465123.db2.gz VBABAHKIYIJXGT-UHFFFAOYSA-N 1 3 236.359 1.656 20 0 BDADHO CO[C@H](CN(C)CCOCC[NH3+])C1CCCC1 ZINC000629581201 361471629 /nfs/dbraw/zinc/47/16/29/361471629.db2.gz RHAYYCRHZQCGEL-CYBMUJFWSA-N 1 3 244.379 1.099 20 0 BDADHO C(CNC1CC1)C[NH2+]C[C@H]1CCSC1 ZINC000163434703 361480247 /nfs/dbraw/zinc/48/02/47/361480247.db2.gz CUTPIMSXMIHUDB-SNVBAGLBSA-N 1 3 214.378 1.471 20 0 BDADHO C[C@H]1C[C@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593216 361485500 /nfs/dbraw/zinc/48/55/00/361485500.db2.gz ITGCTSFYSLNRGJ-ZDEQEGDKSA-N 1 3 208.349 1.574 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1ccccc1C ZINC000629566255 361457477 /nfs/dbraw/zinc/45/74/77/361457477.db2.gz IRQSWHOIZBQDTH-UHFFFAOYSA-N 1 3 236.359 1.663 20 0 BDADHO [NH3+]CCCN1CC[C@H]2CC[C@@H](C1)S2 ZINC000629655802 361560222 /nfs/dbraw/zinc/56/02/22/361560222.db2.gz YOWHOLUHOVILTO-ZJUUUORDSA-N 1 3 200.351 1.305 20 0 BDADHO COC1(CN2C[C@@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000629650014 361546686 /nfs/dbraw/zinc/54/66/86/361546686.db2.gz OHNRRSRVBHESTQ-JSGCOSHPSA-N 1 3 238.375 1.759 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1CC1=CCCOC1 ZINC000629652941 361551675 /nfs/dbraw/zinc/55/16/75/361551675.db2.gz FSTUPUMFNQBORP-ZDUSSCGKSA-N 1 3 224.348 1.536 20 0 BDADHO CC[NH2+]CC1CCN(Cc2ccn(C)c2)CC1 ZINC000629651858 361556896 /nfs/dbraw/zinc/55/68/96/361556896.db2.gz MCFSXWCWLFQBNP-UHFFFAOYSA-N 1 3 235.375 1.847 20 0 BDADHO C1=C(CN[C@H]2CCC[NH2+]CC2)COCC1 ZINC000379735189 361574453 /nfs/dbraw/zinc/57/44/53/361574453.db2.gz HGHATYIPZWNGQK-LBPRGKRZSA-N 1 3 210.321 1.065 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCCC[C@H]1C ZINC000434671578 201231282 /nfs/dbraw/zinc/23/12/82/201231282.db2.gz IMCNOUKNDVXQMA-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC[N@H+](CC1CCOCC1)[C@@H]1CCCNCC1 ZINC000435396082 201267344 /nfs/dbraw/zinc/26/73/44/201267344.db2.gz WNLHISLRGODYBJ-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](CC1CCOCC1)[C@@H]1CCCNCC1 ZINC000435396082 201267346 /nfs/dbraw/zinc/26/73/46/201267346.db2.gz WNLHISLRGODYBJ-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cn1 ZINC000155403151 201332563 /nfs/dbraw/zinc/33/25/63/201332563.db2.gz QVMVXCFAFQSPNB-CQSZACIVSA-N 1 3 245.370 1.964 20 0 BDADHO [NH3+]CC1CCN(Cc2cccc(O)c2)CC1 ZINC000044512134 181365654 /nfs/dbraw/zinc/36/56/54/181365654.db2.gz JZENRRUYAGCMBT-UHFFFAOYSA-N 1 3 220.316 1.563 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000328376897 364841503 /nfs/dbraw/zinc/84/15/03/364841503.db2.gz UFSYIUORQXFZLU-RFQIPJPRSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1CC1 ZINC000573676688 364889531 /nfs/dbraw/zinc/88/95/31/364889531.db2.gz NNXOZPQBIICFFL-VIFPVBQESA-N 1 3 249.362 1.160 20 0 BDADHO NCCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000036732161 181380141 /nfs/dbraw/zinc/38/01/41/181380141.db2.gz FTTVVYULJWWQGA-CYBMUJFWSA-N 1 3 226.364 1.759 20 0 BDADHO NCCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000036732161 181380143 /nfs/dbraw/zinc/38/01/43/181380143.db2.gz FTTVVYULJWWQGA-CYBMUJFWSA-N 1 3 226.364 1.759 20 0 BDADHO CC[C@@H](Cn1cncn1)NCCC[NH2+]C(C)C ZINC000574268980 365023606 /nfs/dbraw/zinc/02/36/06/365023606.db2.gz QRUNJVLQGFZXTR-LBPRGKRZSA-N 1 3 239.367 1.034 20 0 BDADHO Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)c(CN(C)C)c1 ZINC000444180050 193039966 /nfs/dbraw/zinc/03/99/66/193039966.db2.gz FEFQDVNCGOBLFS-CYBMUJFWSA-N 1 3 247.342 1.357 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000575195356 365237423 /nfs/dbraw/zinc/23/74/23/365237423.db2.gz HNPMFDNHLAOCEE-TUAOUCFPSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CCCCN1 ZINC000379829985 365286611 /nfs/dbraw/zinc/28/66/11/365286611.db2.gz XCWQOHSNZSBBRC-AAEUAGOBSA-N 1 3 224.348 1.453 20 0 BDADHO CCn1ccnc1CNCC[C@H]1CCC[NH2+]C1 ZINC000579567781 366877510 /nfs/dbraw/zinc/87/75/10/366877510.db2.gz FZPJOYJSSKCYGE-GFCCVEGCSA-N 1 3 236.363 1.382 20 0 BDADHO CC[NH+]1CCC(CNCc2conc2C)CC1 ZINC000579569337 366878801 /nfs/dbraw/zinc/87/88/01/366878801.db2.gz GEAGCUTWCIRZEK-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000579712054 366987825 /nfs/dbraw/zinc/98/78/25/366987825.db2.gz KIYHEJVNJRMTNN-VHSXEESVSA-N 1 3 230.352 1.291 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@H](C)C[C@H](C)N ZINC000579712054 366987833 /nfs/dbraw/zinc/98/78/33/366987833.db2.gz KIYHEJVNJRMTNN-VHSXEESVSA-N 1 3 230.352 1.291 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000581194253 367290995 /nfs/dbraw/zinc/29/09/95/367290995.db2.gz YFRLCPWIBWRMFN-NNYUYHANSA-N 1 3 241.379 1.101 20 0 BDADHO COC[C@@H]([NH2+]CCCNC1CC1)C(C)C ZINC000382543293 367535525 /nfs/dbraw/zinc/53/55/25/367535525.db2.gz WTNCQPSLNHNAAT-GFCCVEGCSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@@H](NCCC[NH2+]C1CC1)C(C)C ZINC000382543293 367535529 /nfs/dbraw/zinc/53/55/29/367535529.db2.gz WTNCQPSLNHNAAT-GFCCVEGCSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)OCCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000382818759 367560883 /nfs/dbraw/zinc/56/08/83/367560883.db2.gz VYLQYGJOUNOXLE-ZDUSSCGKSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)OCCC[N@H+](C)[C@H]1CCCNCC1 ZINC000382818759 367560887 /nfs/dbraw/zinc/56/08/87/367560887.db2.gz VYLQYGJOUNOXLE-ZDUSSCGKSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)OCCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000382818759 367560894 /nfs/dbraw/zinc/56/08/94/367560894.db2.gz VYLQYGJOUNOXLE-ZDUSSCGKSA-N 1 3 228.380 1.875 20 0 BDADHO OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000383464532 367624881 /nfs/dbraw/zinc/62/48/81/367624881.db2.gz NKKYIRFFOLFRKW-MJBXVCDLSA-N 1 3 240.391 1.517 20 0 BDADHO CN(C[C@@H]1CCCC[C@H]1O)[C@@H]1CCC[NH2+]CC1 ZINC000383279822 367611220 /nfs/dbraw/zinc/61/12/20/367611220.db2.gz IJBYSJRBHCTZJV-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCNCC1 ZINC000383279822 367611224 /nfs/dbraw/zinc/61/12/24/367611224.db2.gz IJBYSJRBHCTZJV-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@@H]1CCCNCC1 ZINC000383279822 367611229 /nfs/dbraw/zinc/61/12/29/367611229.db2.gz IJBYSJRBHCTZJV-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO [NH3+]CCCN1CC[C@@H](COCc2ccccc2)C1 ZINC000383939414 367660664 /nfs/dbraw/zinc/66/06/64/367660664.db2.gz KZXGOLXDKKPFTI-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000383939414 367660670 /nfs/dbraw/zinc/66/06/70/367660670.db2.gz KZXGOLXDKKPFTI-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000383939414 367660675 /nfs/dbraw/zinc/66/06/75/367660675.db2.gz KZXGOLXDKKPFTI-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO Cc1cnccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000385048556 367779064 /nfs/dbraw/zinc/77/90/64/367779064.db2.gz QDVHKRWHCXRDDT-GFCCVEGCSA-N 1 3 233.359 1.949 20 0 BDADHO C[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CCCCN1 ZINC000386076610 367909521 /nfs/dbraw/zinc/90/95/21/367909521.db2.gz GDMISNRRMKKZIR-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NCC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386104476 367912825 /nfs/dbraw/zinc/91/28/25/367912825.db2.gz KISCTQCXYBDGDA-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]CCCNC1CC1)[C@@H]1CCCOC1 ZINC000386936724 368036474 /nfs/dbraw/zinc/03/64/74/368036474.db2.gz PYXCDODTEZEBTM-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]([NH2+]CCCNC1CC1)[C@H]1CCCOC1 ZINC000386936723 368036500 /nfs/dbraw/zinc/03/65/00/368036500.db2.gz PYXCDODTEZEBTM-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000566423163 326044441 /nfs/dbraw/zinc/04/44/41/326044441.db2.gz BZAKABKPWMNPFX-GRYCIOLGSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1C[C@@H](O)C1(C)C ZINC000566423163 326044442 /nfs/dbraw/zinc/04/44/42/326044442.db2.gz BZAKABKPWMNPFX-GRYCIOLGSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@@H](O)C1(C)C ZINC000566423163 326044443 /nfs/dbraw/zinc/04/44/43/326044443.db2.gz BZAKABKPWMNPFX-GRYCIOLGSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000111320307 368856916 /nfs/dbraw/zinc/85/69/16/368856916.db2.gz RMVQYHBINMRXKQ-KGLIPLIRSA-N 1 3 240.391 1.733 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOCC(F)(F)F)C1 ZINC000086404274 368881393 /nfs/dbraw/zinc/88/13/93/368881393.db2.gz FPUISHNPRBJANS-RKDXNWHRSA-N 1 3 240.269 1.425 20 0 BDADHO CO[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623808719 368953847 /nfs/dbraw/zinc/95/38/47/368953847.db2.gz ALDXNUPTUNRCHO-FVCCEPFGSA-N 1 3 224.348 1.380 20 0 BDADHO CO[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623808719 368953853 /nfs/dbraw/zinc/95/38/53/368953853.db2.gz ALDXNUPTUNRCHO-FVCCEPFGSA-N 1 3 224.348 1.380 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCCCO1 ZINC000631827596 368992801 /nfs/dbraw/zinc/99/28/01/368992801.db2.gz RCVNEMUSOVQKAI-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO CN1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000623656177 368992808 /nfs/dbraw/zinc/99/28/08/368992808.db2.gz OQEXLSZGIQGPHZ-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](C)O)C[C@@H]1C ZINC000459356912 203267213 /nfs/dbraw/zinc/26/72/13/203267213.db2.gz LNZMECABCNOBID-SDDRHHMPSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](C)O)C[C@@H]1C ZINC000459356912 203267215 /nfs/dbraw/zinc/26/72/15/203267215.db2.gz LNZMECABCNOBID-SDDRHHMPSA-N 1 3 214.353 1.172 20 0 BDADHO CN(C)C[C@@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000404905828 369439108 /nfs/dbraw/zinc/43/91/08/369439108.db2.gz YRCHZKSCRWEXNT-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784630 203368600 /nfs/dbraw/zinc/36/86/00/203368600.db2.gz AHFGUQBRRAHFRS-WOPDTQHZSA-N 1 3 226.389 1.660 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784630 203368603 /nfs/dbraw/zinc/36/86/03/203368603.db2.gz AHFGUQBRRAHFRS-WOPDTQHZSA-N 1 3 226.389 1.660 20 0 BDADHO C[NH2+]CCC1CCN(CC2(F)CC2)CC1 ZINC000309656799 370241364 /nfs/dbraw/zinc/24/13/64/370241364.db2.gz WECDPUQWEAFLID-UHFFFAOYSA-N 1 3 214.328 1.810 20 0 BDADHO N[C@]12CCC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784317 370536138 /nfs/dbraw/zinc/53/61/38/370536138.db2.gz NBSKITPRTZEXAD-GJZGRUSLSA-N 1 3 245.370 1.827 20 0 BDADHO N[C@]12CCC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784317 370536141 /nfs/dbraw/zinc/53/61/41/370536141.db2.gz NBSKITPRTZEXAD-GJZGRUSLSA-N 1 3 245.370 1.827 20 0 BDADHO Cc1nccn1CCCN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784843 370537375 /nfs/dbraw/zinc/53/73/75/370537375.db2.gz VUTMNOKTSZLMRK-UONOGXRCSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621784843 370537379 /nfs/dbraw/zinc/53/73/79/370537379.db2.gz VUTMNOKTSZLMRK-UONOGXRCSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621784843 370537384 /nfs/dbraw/zinc/53/73/84/370537384.db2.gz VUTMNOKTSZLMRK-UONOGXRCSA-N 1 3 248.374 1.395 20 0 BDADHO CCn1cc(CCN[C@](C)(C[NH3+])C2CC2)cn1 ZINC000621775263 370522957 /nfs/dbraw/zinc/52/29/57/370522957.db2.gz JZXYRCIEARZRHA-CYBMUJFWSA-N 1 3 236.363 1.163 20 0 BDADHO CCOCCC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621782197 370531024 /nfs/dbraw/zinc/53/10/24/370531024.db2.gz NMMJSDXWUSXPSO-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO CCOCCC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621782197 370531026 /nfs/dbraw/zinc/53/10/26/370531026.db2.gz NMMJSDXWUSXPSO-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C)[C@H](C)C1 ZINC000624100811 371306837 /nfs/dbraw/zinc/30/68/37/371306837.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000624100811 371306843 /nfs/dbraw/zinc/30/68/43/371306843.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000624100811 371306847 /nfs/dbraw/zinc/30/68/47/371306847.db2.gz JOZOLLDQHBAEDZ-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000624122888 371323468 /nfs/dbraw/zinc/32/34/68/371323468.db2.gz ASKPIBKKCJFIQX-HSBZDZAISA-N 1 3 240.391 1.611 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000624123524 371325002 /nfs/dbraw/zinc/32/50/02/371325002.db2.gz NPUUGENICQTFPM-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@](C[NH3+])(NC[C@H]1CCCCO1)C1CC1 ZINC000631823155 372586047 /nfs/dbraw/zinc/58/60/47/372586047.db2.gz XKTFYJCXFZYACF-VXGBXAGGSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN(C)C1CC[NH2+]CC1 ZINC000631821115 372595880 /nfs/dbraw/zinc/59/58/80/372595880.db2.gz PGQVHRMIVMVSBS-WDEREUQCSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000631827670 372607889 /nfs/dbraw/zinc/60/78/89/372607889.db2.gz UHOLKMFNFISUIP-BFHYXJOUSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1CN ZINC000631836721 372625913 /nfs/dbraw/zinc/62/59/13/372625913.db2.gz FTKHCKMVVAAXRH-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1CN ZINC000631836721 372625917 /nfs/dbraw/zinc/62/59/17/372625917.db2.gz FTKHCKMVVAAXRH-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@@H](N)C[C@@H]2C)cc1 ZINC000631857927 372656781 /nfs/dbraw/zinc/65/67/81/372656781.db2.gz PAESEZHCAOZBJP-AAEUAGOBSA-N 1 3 234.343 1.659 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@@H](N)C[C@@H]2C)cc1 ZINC000631857927 372656787 /nfs/dbraw/zinc/65/67/87/372656787.db2.gz PAESEZHCAOZBJP-AAEUAGOBSA-N 1 3 234.343 1.659 20 0 BDADHO C([NH2+][C@]12CCC[C@@H]1CNC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000631867110 372667869 /nfs/dbraw/zinc/66/78/69/372667869.db2.gz JODCJLHVNQBHBR-ITGHMWBKSA-N 1 3 220.360 1.764 20 0 BDADHO CCOCC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631883899 372679316 /nfs/dbraw/zinc/67/93/16/372679316.db2.gz DAWMGYCYFGWGLD-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCC[N@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631883899 372679323 /nfs/dbraw/zinc/67/93/23/372679323.db2.gz DAWMGYCYFGWGLD-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000192131086 205945144 /nfs/dbraw/zinc/94/51/44/205945144.db2.gz AESSWNBOJIOKEP-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2ccncc2)C1 ZINC000459730597 206014266 /nfs/dbraw/zinc/01/42/66/206014266.db2.gz KTWLQWXCFWRJSY-AWEZNQCLSA-N 1 3 233.359 1.903 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2ccncc2)C1 ZINC000459730597 206014272 /nfs/dbraw/zinc/01/42/72/206014272.db2.gz KTWLQWXCFWRJSY-AWEZNQCLSA-N 1 3 233.359 1.903 20 0 BDADHO COC[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424381425 206038461 /nfs/dbraw/zinc/03/84/61/206038461.db2.gz YZAQXWFOVBGBCH-IJLUTSLNSA-N 1 3 214.353 1.517 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378134 206039922 /nfs/dbraw/zinc/03/99/22/206039922.db2.gz SFCSOMCDABTUED-YVECIDJPSA-N 1 3 208.349 1.892 20 0 BDADHO Cn1ccnc1CNC1CCC([NH+](C)C)CC1 ZINC000428225185 206057070 /nfs/dbraw/zinc/05/70/70/206057070.db2.gz NAGXMPGFACERRK-UHFFFAOYSA-N 1 3 236.363 1.383 20 0 BDADHO O=C(Nc1ccc2c(c1)CNCC2)[C@H]1CCC[NH2+]1 ZINC000261684235 182364133 /nfs/dbraw/zinc/36/41/33/182364133.db2.gz HYJIQZOJAFUUBB-CYBMUJFWSA-N 1 3 245.326 1.023 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](O)CC)C1 ZINC000304707763 169078715 /nfs/dbraw/zinc/07/87/15/169078715.db2.gz LCOZQQKEEJOERJ-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)CC)C1 ZINC000304707763 169078717 /nfs/dbraw/zinc/07/87/17/169078717.db2.gz LCOZQQKEEJOERJ-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@](C)(N)CCC ZINC000226407791 169121076 /nfs/dbraw/zinc/12/10/76/169121076.db2.gz PMRCSVCVMDDBMB-CYBMUJFWSA-N 1 3 243.395 1.352 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@](C)(N)CCC ZINC000226407791 169121078 /nfs/dbraw/zinc/12/10/78/169121078.db2.gz PMRCSVCVMDDBMB-CYBMUJFWSA-N 1 3 243.395 1.352 20 0 BDADHO CCCN(CC)C[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000353075695 169127397 /nfs/dbraw/zinc/12/73/97/169127397.db2.gz YRZYXIGSQDEACG-ZDUSSCGKSA-N 1 3 241.423 1.791 20 0 BDADHO CCC[NH+]1CCC(N(C)CCC[C@@H](C)O)CC1 ZINC000336722924 169186871 /nfs/dbraw/zinc/18/68/71/169186871.db2.gz TXULEIRIAFBMGL-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[NH+]1CCC(N(C)CCCCO)CC1 ZINC000303987899 169187075 /nfs/dbraw/zinc/18/70/75/169187075.db2.gz JOMXPOYEXHDHSV-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO CCCN1CCC([NH2+]Cc2cccn2C)CC1 ZINC000020360519 169188865 /nfs/dbraw/zinc/18/88/65/169188865.db2.gz BVGVBMQRLSVEBX-UHFFFAOYSA-N 1 3 235.375 1.989 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129223984 169189409 /nfs/dbraw/zinc/18/94/09/169189409.db2.gz UUMWCLIHJGMBGR-QWHCGFSZSA-N 1 3 240.391 1.610 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000341898837 169189969 /nfs/dbraw/zinc/18/99/69/169189969.db2.gz UQNGRWHXWDTIPQ-TZMCWYRMSA-N 1 3 239.407 1.401 20 0 BDADHO CCCN1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062910948 169203097 /nfs/dbraw/zinc/20/30/97/169203097.db2.gz IETACENYTHJYOT-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO c1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250248404 183395358 /nfs/dbraw/zinc/39/53/58/183395358.db2.gz NHUGJRHRYWUHQN-GJZGRUSLSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000250248404 183395359 /nfs/dbraw/zinc/39/53/59/183395359.db2.gz NHUGJRHRYWUHQN-GJZGRUSLSA-N 1 3 245.370 1.841 20 0 BDADHO COC1CC([NH2+]C[C@@H](C)CN2CCCCC2)C1 ZINC000220857725 134315919 /nfs/dbraw/zinc/31/59/19/134315919.db2.gz RNJGGFIBJHBHGW-IYXRBSQSSA-N 1 3 240.391 1.875 20 0 BDADHO COC1CC(NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000220857725 134315920 /nfs/dbraw/zinc/31/59/20/134315920.db2.gz RNJGGFIBJHBHGW-IYXRBSQSSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999116 169390981 /nfs/dbraw/zinc/39/09/81/169390981.db2.gz FVKSRTGKUPTNGI-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313090357 383866467 /nfs/dbraw/zinc/86/64/67/383866467.db2.gz ACQLIBKQBBEQLB-RFGFWPKPSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313090357 383866473 /nfs/dbraw/zinc/86/64/73/383866473.db2.gz ACQLIBKQBBEQLB-RFGFWPKPSA-N 1 3 240.391 1.752 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2COCC2(C)C)CC1 ZINC000313127827 383921121 /nfs/dbraw/zinc/92/11/21/383921121.db2.gz WFNWORVFOUWKBX-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]([NH2+][C@@H]1CCCNCC1)[C@@H](O)CC ZINC000313106218 383885629 /nfs/dbraw/zinc/88/56/29/383885629.db2.gz XPMLWVKRLOQLHI-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@@H](O)CC ZINC000313106218 383885636 /nfs/dbraw/zinc/88/56/36/383885636.db2.gz XPMLWVKRLOQLHI-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545993 384014224 /nfs/dbraw/zinc/01/42/24/384014224.db2.gz GTZXCRNAFWPMGY-OLZOCXBDSA-N 1 3 238.375 1.676 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545993 384014230 /nfs/dbraw/zinc/01/42/30/384014230.db2.gz GTZXCRNAFWPMGY-OLZOCXBDSA-N 1 3 238.375 1.676 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC2(O)CCCC2)CC1 ZINC000336514471 384044865 /nfs/dbraw/zinc/04/48/65/384044865.db2.gz JXNKRKFQCWWNAW-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC2(O)CCCC2)CC1 ZINC000336514471 384044868 /nfs/dbraw/zinc/04/48/68/384044868.db2.gz JXNKRKFQCWWNAW-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CC2(O)CCCC2)CC1 ZINC000336514471 384044870 /nfs/dbraw/zinc/04/48/70/384044870.db2.gz JXNKRKFQCWWNAW-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO Cn1ccc(C[NH2+]CCCN2CCCCC2)c1 ZINC000091007231 384089656 /nfs/dbraw/zinc/08/96/56/384089656.db2.gz RHFHGXWBKNBLDI-UHFFFAOYSA-N 1 3 235.375 1.991 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000394103403 384100942 /nfs/dbraw/zinc/10/09/42/384100942.db2.gz WLPPEHDXZWXZBM-AVGNSLFASA-N 1 3 228.380 1.358 20 0 BDADHO C[C@@]1(C[NH3+])CCN(CCc2ccccc2)C1 ZINC000235438781 384230200 /nfs/dbraw/zinc/23/02/00/384230200.db2.gz AAUAJOPHONLHPR-AWEZNQCLSA-N 1 3 218.344 1.900 20 0 BDADHO COC1(C[N@@H+]2C[C@H](CN)C[C@H]2C)CCCC1 ZINC000319229998 384213945 /nfs/dbraw/zinc/21/39/45/384213945.db2.gz VBNXAYLFBAIROM-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2C[C@H](CN)C[C@H]2C)CCCC1 ZINC000319229998 384213954 /nfs/dbraw/zinc/21/39/54/384213954.db2.gz VBNXAYLFBAIROM-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000082922845 384276907 /nfs/dbraw/zinc/27/69/07/384276907.db2.gz SSAFJJMYJKYNKU-VHSXEESVSA-N 1 3 200.326 1.128 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000082922845 384276912 /nfs/dbraw/zinc/27/69/12/384276912.db2.gz SSAFJJMYJKYNKU-VHSXEESVSA-N 1 3 200.326 1.128 20 0 BDADHO COC[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000173792066 384263032 /nfs/dbraw/zinc/26/30/32/384263032.db2.gz VTMUJJHESIKAFA-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO COC[C@@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173792066 384263038 /nfs/dbraw/zinc/26/30/38/384263038.db2.gz VTMUJJHESIKAFA-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CO[C@H](CC(C)C)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000642705283 384414581 /nfs/dbraw/zinc/41/45/81/384414581.db2.gz ILTLNBINXXMAFR-HZSPNIEDSA-N 1 3 240.391 1.541 20 0 BDADHO CO[C@H](CC(C)C)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000642705283 384414586 /nfs/dbraw/zinc/41/45/86/384414586.db2.gz ILTLNBINXXMAFR-HZSPNIEDSA-N 1 3 240.391 1.541 20 0 BDADHO COCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084215737 384377960 /nfs/dbraw/zinc/37/79/60/384377960.db2.gz QUABKZUHDFHVON-WDEREUQCSA-N 1 3 200.326 1.130 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CO[C@@H](C)C2)C1 ZINC000647177221 384501522 /nfs/dbraw/zinc/50/15/22/384501522.db2.gz QHRFXOFCQUNNFZ-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@H]2CO[C@@H](C)C2)C1 ZINC000647177221 384501525 /nfs/dbraw/zinc/50/15/25/384501525.db2.gz QHRFXOFCQUNNFZ-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO COCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785162 384508013 /nfs/dbraw/zinc/50/80/13/384508013.db2.gz ISHDKPSJLSTFEK-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150785162 384508030 /nfs/dbraw/zinc/50/80/30/384508030.db2.gz ISHDKPSJLSTFEK-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150785162 384508037 /nfs/dbraw/zinc/50/80/37/384508037.db2.gz ISHDKPSJLSTFEK-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO CN(C)CC(C)(C)C[NH2+]Cc1ccncc1 ZINC000019905720 384556600 /nfs/dbraw/zinc/55/66/00/384556600.db2.gz QMPOMPIYBTYJFR-UHFFFAOYSA-N 1 3 221.348 1.759 20 0 BDADHO CC[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC000151363099 384567723 /nfs/dbraw/zinc/56/77/23/384567723.db2.gz QWEMKWPSWCJTLC-UHFFFAOYSA-N 1 3 249.358 1.088 20 0 BDADHO CC(C)N(C)C[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000336650639 384612608 /nfs/dbraw/zinc/61/26/08/384612608.db2.gz DUBSSVNRLCQDFV-LBPRGKRZSA-N 1 3 227.396 1.399 20 0 BDADHO C[C@H](O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334624980 384617765 /nfs/dbraw/zinc/61/77/65/384617765.db2.gz SEEGXRPWHTWIFS-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334624980 384617770 /nfs/dbraw/zinc/61/77/70/384617770.db2.gz SEEGXRPWHTWIFS-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)OC ZINC000356330617 384626801 /nfs/dbraw/zinc/62/68/01/384626801.db2.gz HFNBAKSHSHIHFA-UPJWGTAASA-N 1 3 228.380 1.909 20 0 BDADHO CC(C)(N)C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000647538457 384668997 /nfs/dbraw/zinc/66/89/97/384668997.db2.gz STLSRRSKYHBUND-ZDUSSCGKSA-N 1 3 233.359 1.683 20 0 BDADHO CC(C)(N)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000647538457 384669006 /nfs/dbraw/zinc/66/90/06/384669006.db2.gz STLSRRSKYHBUND-ZDUSSCGKSA-N 1 3 233.359 1.683 20 0 BDADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1cnn(C)c1 ZINC000051919538 384701966 /nfs/dbraw/zinc/70/19/66/384701966.db2.gz UJOQRUCIUPUNCD-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO FC1(F)CCCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000259007122 384735919 /nfs/dbraw/zinc/73/59/19/384735919.db2.gz XJJDGWDWBVESQN-JTQLQIEISA-N 1 3 218.291 1.717 20 0 BDADHO CCC(CC)(CCO)CN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647550199 384746474 /nfs/dbraw/zinc/74/64/74/384746474.db2.gz FMCYYLXIQNKVGC-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO [NH3+]C[C@H]1CCN(CCCOCc2ccccc2)C1 ZINC000309973285 384754412 /nfs/dbraw/zinc/75/44/12/384754412.db2.gz OZOZBQDMHFRDRQ-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO NC[C@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000309973285 384754416 /nfs/dbraw/zinc/75/44/16/384754416.db2.gz OZOZBQDMHFRDRQ-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO NC[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309973285 384754423 /nfs/dbraw/zinc/75/44/23/384754423.db2.gz OZOZBQDMHFRDRQ-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO C[C@@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCCCN1 ZINC000335026803 384772243 /nfs/dbraw/zinc/77/22/43/384772243.db2.gz ALJPZWWIQNAQTD-YPMHNXCESA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)OC ZINC000308577083 384826714 /nfs/dbraw/zinc/82/67/14/384826714.db2.gz NFLYLGPVQCONKN-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000054343701 384833118 /nfs/dbraw/zinc/83/31/18/384833118.db2.gz PTJJULDGNNUNKS-YPMHNXCESA-N 1 3 249.358 1.000 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H]1CCSC1)CN(C)C ZINC000308592422 384834972 /nfs/dbraw/zinc/83/49/72/384834972.db2.gz WGWJWZMIPPTZGD-QWRGUYRKSA-N 1 3 216.394 1.527 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CCc2ccc(F)cc21 ZINC000423294003 384787856 /nfs/dbraw/zinc/78/78/56/384787856.db2.gz AXQWSNLWIGRMBR-NOZJJQNGSA-N 1 3 222.307 1.997 20 0 BDADHO CN(C)C1(C[NH2+]C2CCN(C)CC2)CCCC1 ZINC000105838337 384805198 /nfs/dbraw/zinc/80/51/98/384805198.db2.gz PVSBQBRQUMSFJY-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000308558514 384806482 /nfs/dbraw/zinc/80/64/82/384806482.db2.gz CRYLTDSEBFSGST-OUAUKWLOSA-N 1 3 202.342 1.197 20 0 BDADHO COC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109091 384809205 /nfs/dbraw/zinc/80/92/05/384809205.db2.gz NJXSJLGKHSGVKQ-OLZOCXBDSA-N 1 3 226.364 1.391 20 0 BDADHO COC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000398109091 384809211 /nfs/dbraw/zinc/80/92/11/384809211.db2.gz NJXSJLGKHSGVKQ-OLZOCXBDSA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000251354767 384915753 /nfs/dbraw/zinc/91/57/53/384915753.db2.gz CGECBUXDRCIOCS-QWHCGFSZSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251354767 384915762 /nfs/dbraw/zinc/91/57/62/384915762.db2.gz CGECBUXDRCIOCS-QWHCGFSZSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)CN(C)C ZINC000310268680 384933014 /nfs/dbraw/zinc/93/30/14/384933014.db2.gz SBXYUCHXDWQSPT-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397281 385006587 /nfs/dbraw/zinc/00/65/87/385006587.db2.gz DTOJTHXRXBZCFB-WCQYABFASA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397281 385006593 /nfs/dbraw/zinc/00/65/93/385006593.db2.gz DTOJTHXRXBZCFB-WCQYABFASA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399643 385009197 /nfs/dbraw/zinc/00/91/97/385009197.db2.gz JFMWSKZWXFSPBK-GXFFZTMASA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399643 385009203 /nfs/dbraw/zinc/00/92/03/385009203.db2.gz JFMWSKZWXFSPBK-GXFFZTMASA-N 1 3 241.379 1.103 20 0 BDADHO CCSCCN1CCCC[C@H]1CC[NH3+] ZINC000130007710 385017765 /nfs/dbraw/zinc/01/77/65/385017765.db2.gz UYALTSQUKJDBFK-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CCSCC[N@@H+]1CCCC[C@H]1CCN ZINC000130007710 385017775 /nfs/dbraw/zinc/01/77/75/385017775.db2.gz UYALTSQUKJDBFK-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CCSCC[N@H+]1CCCC[C@H]1CCN ZINC000130007710 385017779 /nfs/dbraw/zinc/01/77/79/385017779.db2.gz UYALTSQUKJDBFK-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000226439538 385019818 /nfs/dbraw/zinc/01/98/18/385019818.db2.gz OVOSWJOJOOLFKC-TZMCWYRMSA-N 1 3 237.391 1.155 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000340498718 385077565 /nfs/dbraw/zinc/07/75/65/385077565.db2.gz BDVJZLYPKVLCKX-UPJWGTAASA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000340498718 385077570 /nfs/dbraw/zinc/07/75/70/385077570.db2.gz BDVJZLYPKVLCKX-UPJWGTAASA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)C(C)(C)O ZINC000340498718 385077573 /nfs/dbraw/zinc/07/75/73/385077573.db2.gz BDVJZLYPKVLCKX-UPJWGTAASA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@@H](O)CNCC[C@H](C)[NH+]1CCCCC1 ZINC000644621119 385028302 /nfs/dbraw/zinc/02/83/02/385028302.db2.gz QXKCHCXGGLVLGB-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO CC[C@@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000644621119 385028303 /nfs/dbraw/zinc/02/83/03/385028303.db2.gz QXKCHCXGGLVLGB-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@](O)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403645 385044851 /nfs/dbraw/zinc/04/48/51/385044851.db2.gz LFZDCBIZEWOIRL-MCIONIFRSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@](O)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403645 385044859 /nfs/dbraw/zinc/04/48/59/385044859.db2.gz LFZDCBIZEWOIRL-MCIONIFRSA-N 1 3 238.375 1.364 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000163478795 385128335 /nfs/dbraw/zinc/12/83/35/385128335.db2.gz JSDQYWJUGFUARG-CMPLNLGQSA-N 1 3 249.358 1.512 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOCC1CC1 ZINC000404846913 385099728 /nfs/dbraw/zinc/09/97/28/385099728.db2.gz DWZQSYUBBZXJSK-QWRGUYRKSA-N 1 3 212.337 1.128 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000404846913 385099739 /nfs/dbraw/zinc/09/97/39/385099739.db2.gz DWZQSYUBBZXJSK-QWRGUYRKSA-N 1 3 212.337 1.128 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOCC1CC1 ZINC000404846911 385100438 /nfs/dbraw/zinc/10/04/38/385100438.db2.gz DWZQSYUBBZXJSK-GHMZBOCLSA-N 1 3 212.337 1.128 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOCC1CC1 ZINC000404846911 385100444 /nfs/dbraw/zinc/10/04/44/385100444.db2.gz DWZQSYUBBZXJSK-GHMZBOCLSA-N 1 3 212.337 1.128 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644727899 385182035 /nfs/dbraw/zinc/18/20/35/385182035.db2.gz CSQHWKWOULPAGS-KBPBESRZSA-N 1 3 248.374 1.218 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644727899 385182039 /nfs/dbraw/zinc/18/20/39/385182039.db2.gz CSQHWKWOULPAGS-KBPBESRZSA-N 1 3 248.374 1.218 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCN1CC ZINC000037621325 385233391 /nfs/dbraw/zinc/23/33/91/385233391.db2.gz OJJHAFAFIFAIBO-WCQYABFASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H](C)CN)c1ccccc1 ZINC000308991707 385336156 /nfs/dbraw/zinc/33/61/56/385336156.db2.gz OCZJKDAUXUDCDH-RYUDHWBXSA-N 1 3 206.333 1.975 20 0 BDADHO CC(C)[C@H](C(=O)NCC(C)(C)[NH+](C)C)N(C)C ZINC000158159498 385358178 /nfs/dbraw/zinc/35/81/78/385358178.db2.gz UTLFXBCPCXYJRX-LLVKDONJSA-N 1 3 243.395 1.029 20 0 BDADHO Cc1cncc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000299932447 385326972 /nfs/dbraw/zinc/32/69/72/385326972.db2.gz YHTRSBVMKSCJRN-SOUVJXGZSA-N 1 3 245.370 1.949 20 0 BDADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)N ZINC000168926650 385392670 /nfs/dbraw/zinc/39/26/70/385392670.db2.gz AHXFKWWMJVOWQP-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)N ZINC000168926650 385392674 /nfs/dbraw/zinc/39/26/74/385392674.db2.gz AHXFKWWMJVOWQP-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCCO1 ZINC000183278244 385515463 /nfs/dbraw/zinc/51/54/63/385515463.db2.gz RJEBIOWCSMYDON-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183278244 385515465 /nfs/dbraw/zinc/51/54/65/385515465.db2.gz RJEBIOWCSMYDON-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000309401460 385571199 /nfs/dbraw/zinc/57/11/99/385571199.db2.gz VHTCLKJASIZGTP-MNOVXSKESA-N 1 3 224.323 1.941 20 0 BDADHO CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000309429040 385578649 /nfs/dbraw/zinc/57/86/49/385578649.db2.gz FUFOIDBUOJGZKR-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000309429040 385578651 /nfs/dbraw/zinc/57/86/51/385578651.db2.gz FUFOIDBUOJGZKR-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309429040 385578653 /nfs/dbraw/zinc/57/86/53/385578653.db2.gz FUFOIDBUOJGZKR-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000414849238 385625966 /nfs/dbraw/zinc/62/59/66/385625966.db2.gz XUFOTTJCUFPJII-WUHRBBMRSA-N 1 3 240.391 1.635 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000414849238 385625973 /nfs/dbraw/zinc/62/59/73/385625973.db2.gz XUFOTTJCUFPJII-WUHRBBMRSA-N 1 3 240.391 1.635 20 0 BDADHO CCOC[C@H](C)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848326 385613741 /nfs/dbraw/zinc/61/37/41/385613741.db2.gz GNRNRJKOQLVXAH-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414848326 385613745 /nfs/dbraw/zinc/61/37/45/385613745.db2.gz GNRNRJKOQLVXAH-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CNCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414856486 385713658 /nfs/dbraw/zinc/71/36/58/385713658.db2.gz ALUHQBLHWUDWMW-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]CCCN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000414856486 385713659 /nfs/dbraw/zinc/71/36/59/385713659.db2.gz ALUHQBLHWUDWMW-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCOC1 ZINC000309580872 385714095 /nfs/dbraw/zinc/71/40/95/385714095.db2.gz QIGUBWUTYQDRQN-AAEUAGOBSA-N 1 3 224.348 1.263 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000647793776 385729883 /nfs/dbraw/zinc/72/98/83/385729883.db2.gz HXRKPLKLJQOFMJ-YNEHKIRRSA-N 1 3 246.358 1.263 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1ccc(F)cc1 ZINC000414857780 385732482 /nfs/dbraw/zinc/73/24/82/385732482.db2.gz FZGOFKUAFOYIBO-NSHDSACASA-N 1 3 224.323 1.956 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1ccccc1F ZINC000414863193 385753653 /nfs/dbraw/zinc/75/36/53/385753653.db2.gz XBFJBOXRMABFAF-NSHDSACASA-N 1 3 224.323 1.956 20 0 BDADHO C[NH2+]CCCN[C@H]1CCc2c(cccc2OC)C1 ZINC000414863563 385759559 /nfs/dbraw/zinc/75/95/59/385759559.db2.gz XLHHQPXIJUTLIM-ZDUSSCGKSA-N 1 3 248.370 1.752 20 0 BDADHO CNCCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000414863563 385759564 /nfs/dbraw/zinc/75/95/64/385759564.db2.gz XLHHQPXIJUTLIM-ZDUSSCGKSA-N 1 3 248.370 1.752 20 0 BDADHO CCC[NH2+]CCNC[C@@H]1CCO[C@H](CC)C1 ZINC000414865479 385769138 /nfs/dbraw/zinc/76/91/38/385769138.db2.gz FPLIRUOBICVXJD-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414945404 385800460 /nfs/dbraw/zinc/80/04/60/385800460.db2.gz RLOWHUKRHRQPFP-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO CCCC[C@H](COC)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414945404 385800463 /nfs/dbraw/zinc/80/04/63/385800463.db2.gz RLOWHUKRHRQPFP-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414946686 385809372 /nfs/dbraw/zinc/80/93/72/385809372.db2.gz JTHCPTBZMNYKIP-BZPMIXESSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCN[C@@H](C)C2)CCO1 ZINC000414954460 385836497 /nfs/dbraw/zinc/83/64/97/385836497.db2.gz SOCSITFHXMAWHB-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO CC[NH2+][C@H](C)CNC[C@@H]1CCO[C@H](CC)C1 ZINC000414962915 385890191 /nfs/dbraw/zinc/89/01/91/385890191.db2.gz SXXKKZDUAZQFNG-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO Cc1cc(N)cc(CNCC2(C[NH3+])CC2)c1 ZINC000414964205 385902060 /nfs/dbraw/zinc/90/20/60/385902060.db2.gz LZITVDQAYVSKES-UHFFFAOYSA-N 1 3 219.332 1.406 20 0 BDADHO Cc1cc(N)cc(C[NH2+]CC2(CN)CC2)c1 ZINC000414964205 385902062 /nfs/dbraw/zinc/90/20/62/385902062.db2.gz LZITVDQAYVSKES-UHFFFAOYSA-N 1 3 219.332 1.406 20 0 BDADHO C[C@@H](CCn1cccn1)[NH2+]CC1=CCN(C)CC1 ZINC000272485537 385906231 /nfs/dbraw/zinc/90/62/31/385906231.db2.gz JSZYGLKHVNTIAX-ZDUSSCGKSA-N 1 3 248.374 1.513 20 0 BDADHO C[C@H](C[NH3+])CNC/C=C\c1ccccc1 ZINC000414876268 385908845 /nfs/dbraw/zinc/90/88/45/385908845.db2.gz LCAZATUMTDCWLC-VVEJJEBESA-N 1 3 204.317 1.884 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000294927463 385919864 /nfs/dbraw/zinc/91/98/64/385919864.db2.gz DBNUWWNZPIUXIU-NXEZZACHSA-N 1 3 247.342 1.254 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCCc2ccncc2)C1 ZINC000647830269 385880729 /nfs/dbraw/zinc/88/07/29/385880729.db2.gz FHXHGTSXWNMGJJ-ZDUSSCGKSA-N 1 3 219.332 1.295 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(O)CCC1 ZINC000335051544 385948508 /nfs/dbraw/zinc/94/85/08/385948508.db2.gz QUTOIPRQYQWTPR-QWRGUYRKSA-N 1 3 212.337 1.151 20 0 BDADHO CC1([NH3+])CCN(CC[C@@H]2CCCO2)CC1 ZINC000647924265 385950187 /nfs/dbraw/zinc/95/01/87/385950187.db2.gz SSNLHRXRJZPAKK-NSHDSACASA-N 1 3 212.337 1.369 20 0 BDADHO Cc1cccc(C)c1CNC[C@@H](C)C[NH3+] ZINC000414879855 385951357 /nfs/dbraw/zinc/95/13/57/385951357.db2.gz PZIWNXVVRIISAH-JTQLQIEISA-N 1 3 206.333 1.988 20 0 BDADHO CN(CCOCC(F)F)CC(C)(C)C[NH3+] ZINC000336746609 385956009 /nfs/dbraw/zinc/95/60/09/385956009.db2.gz RNTZVJIPGSRUGA-UHFFFAOYSA-N 1 3 224.295 1.185 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCCCCC1 ZINC000335058782 385960171 /nfs/dbraw/zinc/96/01/71/385960171.db2.gz KGITZXKPMRLODA-CHWSQXEVSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NCC1([NH3+])CCCCCC1 ZINC000335058782 385960176 /nfs/dbraw/zinc/96/01/76/385960176.db2.gz KGITZXKPMRLODA-CHWSQXEVSA-N 1 3 239.407 1.578 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1CCO ZINC000338313274 385963063 /nfs/dbraw/zinc/96/30/63/385963063.db2.gz DMRJVSDBEUKOBS-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1CCO ZINC000338313274 385963070 /nfs/dbraw/zinc/96/30/70/385963070.db2.gz DMRJVSDBEUKOBS-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295294496 386007916 /nfs/dbraw/zinc/00/79/16/386007916.db2.gz XFOWJFLVPCEIEN-CYBMUJFWSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393903060 386025148 /nfs/dbraw/zinc/02/51/48/386025148.db2.gz ITHHUOWOUMUFOI-NZFPMDFQSA-N 1 3 232.318 1.958 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393903060 386025153 /nfs/dbraw/zinc/02/51/53/386025153.db2.gz ITHHUOWOUMUFOI-NZFPMDFQSA-N 1 3 232.318 1.958 20 0 BDADHO COC(=O)c1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000414884791 386049554 /nfs/dbraw/zinc/04/95/54/386049554.db2.gz WGXVRYVOCNDXCX-JTQLQIEISA-N 1 3 236.315 1.158 20 0 BDADHO C[NH2+][C@@H](C)CNC[C@H](C)CC1CCOCC1 ZINC000414980235 386051841 /nfs/dbraw/zinc/05/18/41/386051841.db2.gz WBUIVELZWUETOZ-NEPJUHHUSA-N 1 3 228.380 1.637 20 0 BDADHO CC(=O)Nc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000414888373 386103549 /nfs/dbraw/zinc/10/35/49/386103549.db2.gz RHQIODNKHODBNS-JTQLQIEISA-N 1 3 235.331 1.472 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414986584 386111606 /nfs/dbraw/zinc/11/16/06/386111606.db2.gz XTZKSKUGMRFGOT-NSHDSACASA-N 1 3 218.304 1.390 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)CCO1 ZINC000414886393 386074970 /nfs/dbraw/zinc/07/49/70/386074970.db2.gz XYELROZTODMCSN-UTUOFQBUSA-N 1 3 214.353 1.374 20 0 BDADHO CSC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404929 386080711 /nfs/dbraw/zinc/08/07/11/386080711.db2.gz RLQJCHUSQOKUTO-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO CSC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404929 386080715 /nfs/dbraw/zinc/08/07/15/386080715.db2.gz RLQJCHUSQOKUTO-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO COC(=O)[C@@H]1CCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673868 386146406 /nfs/dbraw/zinc/14/64/06/386146406.db2.gz CZLBAFWGFWMELO-UTUOFQBUSA-N 1 3 240.347 1.012 20 0 BDADHO [NH3+]CCCN1CCC(c2ccc(O)cc2)CC1 ZINC000414681413 386164235 /nfs/dbraw/zinc/16/42/35/386164235.db2.gz PBSABVBTCBFYMH-UHFFFAOYSA-N 1 3 234.343 1.920 20 0 BDADHO C[C@H](CC[NH3+])NCc1c[nH]nc1-c1ccccc1 ZINC000414894253 386170346 /nfs/dbraw/zinc/17/03/46/386170346.db2.gz ZGIZKAMPALLTLM-LLVKDONJSA-N 1 3 244.342 1.904 20 0 BDADHO Cc1cc(CNCCC2CC[NH+](C)CC2)on1 ZINC000310136056 386135849 /nfs/dbraw/zinc/13/58/49/386135849.db2.gz IZTRUTPHSJDBDO-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000647875050 386142924 /nfs/dbraw/zinc/14/29/24/386142924.db2.gz SYJCKDKEMWDFNJ-NEPJUHHUSA-N 1 3 224.348 1.097 20 0 BDADHO CC(C)CCOC1CCN(CCC[NH3+])CC1 ZINC000414701730 386205680 /nfs/dbraw/zinc/20/56/80/386205680.db2.gz KRAWKSXVZMVHGF-UHFFFAOYSA-N 1 3 228.380 1.862 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H](C)O1 ZINC000414699421 386205826 /nfs/dbraw/zinc/20/58/26/386205826.db2.gz YOGDCOJRSNNUPN-REWJHTLYSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414706022 386220024 /nfs/dbraw/zinc/22/00/24/386220024.db2.gz OFTDSZWOFVUFQU-UPJWGTAASA-N 1 3 240.391 1.861 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414706022 386220033 /nfs/dbraw/zinc/22/00/33/386220033.db2.gz OFTDSZWOFVUFQU-UPJWGTAASA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CN)C2)CCO1 ZINC000347114102 386231783 /nfs/dbraw/zinc/23/17/83/386231783.db2.gz SDCDJROLUDYZCO-RWMBFGLXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CN)C2)CCO1 ZINC000347114102 386231785 /nfs/dbraw/zinc/23/17/85/386231785.db2.gz SDCDJROLUDYZCO-RWMBFGLXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CN)C2)CCO1 ZINC000347125381 386237434 /nfs/dbraw/zinc/23/74/34/386237434.db2.gz YFPDQGAISILSDJ-BFHYXJOUSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CN)C2)CCO1 ZINC000347125381 386237439 /nfs/dbraw/zinc/23/74/39/386237439.db2.gz YFPDQGAISILSDJ-BFHYXJOUSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CNC)C2)CCO1 ZINC000347096331 386246762 /nfs/dbraw/zinc/24/67/62/386246762.db2.gz HTCHKTQXHWMFOQ-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](CNC)C2)CCO1 ZINC000347096331 386246765 /nfs/dbraw/zinc/24/67/65/386246765.db2.gz HTCHKTQXHWMFOQ-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@H](CN2CC[C@H](C[NH2+]C)C2)CCO1 ZINC000347096331 386246767 /nfs/dbraw/zinc/24/67/67/386246767.db2.gz HTCHKTQXHWMFOQ-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CN(CCC[NH+](C)C)C[C@H]1CCCOC1 ZINC000336645494 386250977 /nfs/dbraw/zinc/25/09/77/386250977.db2.gz IAWGZVGJSXBQGU-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO c1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)ccn1 ZINC000415006206 386315177 /nfs/dbraw/zinc/31/51/77/386315177.db2.gz KEGVMZQSBUSTHQ-UONOGXRCSA-N 1 3 231.343 1.559 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000091996156 386319982 /nfs/dbraw/zinc/31/99/82/386319982.db2.gz UOXRDKKKQCSWLW-LBPRGKRZSA-N 1 3 249.358 1.656 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000091996156 386319987 /nfs/dbraw/zinc/31/99/87/386319987.db2.gz UOXRDKKKQCSWLW-LBPRGKRZSA-N 1 3 249.358 1.656 20 0 BDADHO CCCO[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884537 386265553 /nfs/dbraw/zinc/26/55/53/386265553.db2.gz BTAHZJXPLOCNPN-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@H]1c2ccccc2CCN1CCOCC[NH3+] ZINC000647885701 386279607 /nfs/dbraw/zinc/27/96/07/386279607.db2.gz HCFXSQNIZADIEQ-HNNXBMFYSA-N 1 3 248.370 1.971 20 0 BDADHO CC(C)[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906076 386371798 /nfs/dbraw/zinc/37/17/98/386371798.db2.gz ORGVJECSXZIUGP-RDBSUJKOSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@]1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525473 386437717 /nfs/dbraw/zinc/43/77/17/386437717.db2.gz TYBHJMRVQKNIDG-SDDRHHMPSA-N 1 3 226.389 1.423 20 0 BDADHO Cc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000391121447 386410693 /nfs/dbraw/zinc/41/06/93/386410693.db2.gz JKWXQCRMWQFJPG-STQMWFEESA-N 1 3 219.332 1.607 20 0 BDADHO N[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000339412797 386415783 /nfs/dbraw/zinc/41/57/83/386415783.db2.gz ICODJJVOLFXWFG-ZDUSSCGKSA-N 1 3 234.343 1.879 20 0 BDADHO N[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000339412797 386415792 /nfs/dbraw/zinc/41/57/92/386415792.db2.gz ICODJJVOLFXWFG-ZDUSSCGKSA-N 1 3 234.343 1.879 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536172 386481274 /nfs/dbraw/zinc/48/12/74/386481274.db2.gz JBWQCSNDUIPBKT-QWHCGFSZSA-N 1 3 240.391 1.754 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](NCC2(O)CCCC2)C1 ZINC000519536172 386481278 /nfs/dbraw/zinc/48/12/78/386481278.db2.gz JBWQCSNDUIPBKT-QWHCGFSZSA-N 1 3 240.391 1.754 20 0 BDADHO CC[NH+](CC)CCCN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000339621219 386491988 /nfs/dbraw/zinc/49/19/88/386491988.db2.gz HGVMTWKUOAYZJC-OKILXGFUSA-N 1 3 241.423 1.743 20 0 BDADHO Cc1cn[nH]c1CN1CCCC[C@@H]1CC[NH3+] ZINC000414779181 386492703 /nfs/dbraw/zinc/49/27/03/386492703.db2.gz FMZASWQUEOCSMV-LLVKDONJSA-N 1 3 222.336 1.421 20 0 BDADHO COc1ccc2c(c1)C[C@H](N[C@@H](C)[C@H](C)[NH3+])CC2 ZINC000415017051 386502380 /nfs/dbraw/zinc/50/23/80/386502380.db2.gz PGENOUVLSZHOIA-COPLHBTASA-N 1 3 248.370 1.878 20 0 BDADHO COc1cc(C[NH2+][C@@H](C)[C@@H](C)N)ccc1C ZINC000415017697 386502426 /nfs/dbraw/zinc/50/24/26/386502426.db2.gz QKDDVASKIGNERX-MNOVXSKESA-N 1 3 222.332 1.829 20 0 BDADHO COC1(CNC2CC([NH+](C)C)C2)CCCC1 ZINC000519607738 386503846 /nfs/dbraw/zinc/50/38/46/386503846.db2.gz HKSHSJVEJFHMMD-UHFFFAOYSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H](CCC[NH3+])[NH2+]Cc1cc([O-])cc(F)c1 ZINC000415017788 386504128 /nfs/dbraw/zinc/50/41/28/386504128.db2.gz GCXCVLSCEVAPFI-VIFPVBQESA-N 1 3 226.295 1.748 20 0 BDADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@](C)(O)CNC ZINC000519609564 386504810 /nfs/dbraw/zinc/50/48/10/386504810.db2.gz WSQMMJLPVIXTRI-GRYCIOLGSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000335444157 386505792 /nfs/dbraw/zinc/50/57/92/386505792.db2.gz KJPKDDDXFZRITD-VIFPVBQESA-N 1 3 233.315 1.526 20 0 BDADHO CCC1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415051000 386508407 /nfs/dbraw/zinc/50/84/07/386508407.db2.gz ZCABRBQCWKIMGO-JXQTWKCFSA-N 1 3 240.391 1.923 20 0 BDADHO CCN1CCCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000519641835 386514135 /nfs/dbraw/zinc/51/41/35/386514135.db2.gz HQXGBIGXFALMPK-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO COc1c(O)cccc1CN[C@@H](C)CCC[NH3+] ZINC000415025885 386514649 /nfs/dbraw/zinc/51/46/49/386514649.db2.gz RYIQMKGGEFOVAZ-JTQLQIEISA-N 1 3 238.331 1.618 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCO ZINC000336780077 386522439 /nfs/dbraw/zinc/52/24/39/386522439.db2.gz QIUADXXNXZEOLU-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC000336780077 386522445 /nfs/dbraw/zinc/52/24/45/386522445.db2.gz QIUADXXNXZEOLU-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H]1CCC[C@@H](CNC[C@H]2C[NH2+]CCCO2)C1 ZINC000415036436 386523746 /nfs/dbraw/zinc/52/37/46/386523746.db2.gz JVRYZQGCTSUVOO-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@H]1CN(CCCOC(C)C)CC[C@H]1[NH3+] ZINC000647936458 386525272 /nfs/dbraw/zinc/52/52/72/386525272.db2.gz FJBMZKJLKOXXFW-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO FC(F)(F)[C@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415053337 386534460 /nfs/dbraw/zinc/53/44/60/386534460.db2.gz DQBRZGWVIKRXSI-LADJIXMOSA-N 1 3 248.292 1.915 20 0 BDADHO c1cncc([C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000647995328 386539247 /nfs/dbraw/zinc/53/92/47/386539247.db2.gz OZKDJGMNQUKKIP-OCCSQVGLSA-N 1 3 231.343 1.480 20 0 BDADHO C[C@@H](CC1CCCCC1)CN(C)C[C@H](O)C[NH3+] ZINC000415064444 386545967 /nfs/dbraw/zinc/54/59/67/386545967.db2.gz CNXNYCCVZWHIKI-GXTWGEPZSA-N 1 3 242.407 1.844 20 0 BDADHO C[N@H+](C[C@@H](O)CN)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065389 386548396 /nfs/dbraw/zinc/54/83/96/386548396.db2.gz GBVHPRNXOATLCO-IHRRRGAJSA-N 1 3 234.343 1.042 20 0 BDADHO C[N@@H+](C[C@@H](O)CN)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065389 386548401 /nfs/dbraw/zinc/54/84/01/386548401.db2.gz GBVHPRNXOATLCO-IHRRRGAJSA-N 1 3 234.343 1.042 20 0 BDADHO CN(C[C@@H](O)C[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065389 386548406 /nfs/dbraw/zinc/54/84/06/386548406.db2.gz GBVHPRNXOATLCO-IHRRRGAJSA-N 1 3 234.343 1.042 20 0 BDADHO CCN1CCCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000415073371 386560046 /nfs/dbraw/zinc/56/00/46/386560046.db2.gz AZKMKFMVMMGREZ-CYBMUJFWSA-N 1 3 225.380 1.202 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414793106 386564500 /nfs/dbraw/zinc/56/45/00/386564500.db2.gz JUENMMQTRWRMQH-LPWJVIDDSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@@H](CC1CCOCC1)N[C@H]1CCCC[NH2+]C1 ZINC000415074403 386566368 /nfs/dbraw/zinc/56/63/68/386566368.db2.gz PIWRXWLEOMGGAO-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1noc(C)c1CC[NH2+]C[C@H](N)CC(C)C ZINC000415074577 386566820 /nfs/dbraw/zinc/56/68/20/386566820.db2.gz CVPWYUWIHIPNAO-GFCCVEGCSA-N 1 3 239.363 1.797 20 0 BDADHO COc1cccc2c1CC[C@@H](NCC(C)(C)[NH3+])C2 ZINC000414811719 386628299 /nfs/dbraw/zinc/62/82/99/386628299.db2.gz ZWBNPENHQOUNLI-GFCCVEGCSA-N 1 3 248.370 1.879 20 0 BDADHO COc1ccc(CCNC[C@@]2(C)CC[NH2+]C2)cc1 ZINC000415086358 386599200 /nfs/dbraw/zinc/59/92/00/386599200.db2.gz UKXKNEJAVFMVGW-OAHLLOKOSA-N 1 3 248.370 1.827 20 0 BDADHO CCC(CC)(CCO)CNCC(C)(C)[NH3+] ZINC000415086024 386605619 /nfs/dbraw/zinc/60/56/19/386605619.db2.gz RNNVMTNQLGWHMD-UHFFFAOYSA-N 1 3 216.369 1.502 20 0 BDADHO C(N[C@@H]1CCC12CCCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335488143 386605846 /nfs/dbraw/zinc/60/58/46/386605846.db2.gz NDZJFUXYKGSFSG-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO Cc1cn[nH]c1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414807852 386611509 /nfs/dbraw/zinc/61/15/09/386611509.db2.gz RPNJBTPMTTYTEF-GHMZBOCLSA-N 1 3 222.336 1.325 20 0 BDADHO C[N@H+](CCCN1CCCC1)[C@@H]1CCCOC1 ZINC000337220022 386661723 /nfs/dbraw/zinc/66/17/23/386661723.db2.gz CYCZTEKCOHGEMJ-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO C[N@@H+](CCCN1CCCC1)[C@@H]1CCCOC1 ZINC000337220022 386661727 /nfs/dbraw/zinc/66/17/27/386661727.db2.gz CYCZTEKCOHGEMJ-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO C[NH2+]CCN[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414820669 386664915 /nfs/dbraw/zinc/66/49/15/386664915.db2.gz CNMJEXLKZCGXDO-ZFWWWQNUSA-N 1 3 247.386 1.631 20 0 BDADHO C[C@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000165113080 386681350 /nfs/dbraw/zinc/68/13/50/386681350.db2.gz UIDBOKOTWWIKAX-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](N)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000165113080 386681356 /nfs/dbraw/zinc/68/13/56/386681356.db2.gz UIDBOKOTWWIKAX-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414830841 386711243 /nfs/dbraw/zinc/71/12/43/386711243.db2.gz CMMQJBZXWRIVJE-NNYUYHANSA-N 1 3 226.364 1.245 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414830841 386711247 /nfs/dbraw/zinc/71/12/47/386711247.db2.gz CMMQJBZXWRIVJE-NNYUYHANSA-N 1 3 226.364 1.245 20 0 BDADHO C[C@]1(CNC[C@H](N)c2ccccc2)CC[NH2+]C1 ZINC000414825771 386691182 /nfs/dbraw/zinc/69/11/82/386691182.db2.gz DBSGONJSFWGFBE-KBPBESRZSA-N 1 3 233.359 1.276 20 0 BDADHO Cc1ccc([C@@H](C)N(C)CCOCC[NH3+])cc1 ZINC000357034103 386697981 /nfs/dbraw/zinc/69/79/81/386697981.db2.gz VJGPTIZRCMBWOW-CYBMUJFWSA-N 1 3 236.359 1.963 20 0 BDADHO N[C@@H](CNCC1(C[NH3+])CC1)c1ccccc1 ZINC000414828954 386703133 /nfs/dbraw/zinc/70/31/33/386703133.db2.gz KAJYGCRPYKQAMG-LBPRGKRZSA-N 1 3 219.332 1.015 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414832241 386717630 /nfs/dbraw/zinc/71/76/30/386717630.db2.gz FEMNKDLDPNNREA-RVMXOQNASA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414832241 386717634 /nfs/dbraw/zinc/71/76/34/386717634.db2.gz FEMNKDLDPNNREA-RVMXOQNASA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H](COC)CC(C)C ZINC000414832194 386718618 /nfs/dbraw/zinc/71/86/18/386718618.db2.gz FBGKZDQGGLUPEO-RYUDHWBXSA-N 1 3 216.369 1.493 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483502 386719568 /nfs/dbraw/zinc/71/95/68/386719568.db2.gz SWHRMLJCYZXOFU-UKRRQHHQSA-N 1 3 248.370 1.604 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483502 386719575 /nfs/dbraw/zinc/71/95/75/386719575.db2.gz SWHRMLJCYZXOFU-UKRRQHHQSA-N 1 3 248.370 1.604 20 0 BDADHO COCc1cccc(C[NH2+][C@@H]2CNCC[C@H]2C)c1 ZINC000414928673 386719945 /nfs/dbraw/zinc/71/99/45/386719945.db2.gz NDWFDCLOMQBCQA-IUODEOHRSA-N 1 3 248.370 1.921 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623088022 386724243 /nfs/dbraw/zinc/72/42/43/386724243.db2.gz SRWVRRTYSCMECQ-KBPBESRZSA-N 1 3 241.423 1.648 20 0 BDADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@H](C)[NH3+] ZINC000417832317 386794499 /nfs/dbraw/zinc/79/44/99/386794499.db2.gz LFHDPVSXMCGGFO-GXFFZTMASA-N 1 3 249.358 1.102 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414844448 386771283 /nfs/dbraw/zinc/77/12/83/386771283.db2.gz RJZSDCMHHRVKKB-IUODEOHRSA-N 1 3 232.371 1.989 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCc2ccccc2C1 ZINC000414844448 386771289 /nfs/dbraw/zinc/77/12/89/386771289.db2.gz RJZSDCMHHRVKKB-IUODEOHRSA-N 1 3 232.371 1.989 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOCC(F)F ZINC000336666302 386777152 /nfs/dbraw/zinc/77/71/52/386777152.db2.gz LUGWBZIPSVJSNT-JTQLQIEISA-N 1 3 224.295 1.231 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)[C@H]1NCCCC1(C)C ZINC000417850170 386807605 /nfs/dbraw/zinc/80/76/05/386807605.db2.gz MCOVLWXBZOOLMG-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)[C@@H]1NCCCC1(C)C ZINC000417850171 386809185 /nfs/dbraw/zinc/80/91/85/386809185.db2.gz MCOVLWXBZOOLMG-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CCc3cn[nH]c3)CC[C@H]21 ZINC000334790430 386853028 /nfs/dbraw/zinc/85/30/28/386853028.db2.gz YCJQTEOCECGENG-ZIAGYGMSSA-N 1 3 248.374 1.368 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CCc3cn[nH]c3)CC[C@H]21 ZINC000334790430 386853034 /nfs/dbraw/zinc/85/30/34/386853034.db2.gz YCJQTEOCECGENG-ZIAGYGMSSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000334790430 386853038 /nfs/dbraw/zinc/85/30/38/386853038.db2.gz YCJQTEOCECGENG-ZIAGYGMSSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000334790430 386853047 /nfs/dbraw/zinc/85/30/47/386853047.db2.gz YCJQTEOCECGENG-ZIAGYGMSSA-N 1 3 248.374 1.368 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC1(C)C)CN1CCCC1 ZINC000328275049 386841477 /nfs/dbraw/zinc/84/14/77/386841477.db2.gz XMTGTWIUZOZKDS-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275049 386841479 /nfs/dbraw/zinc/84/14/79/386841479.db2.gz XMTGTWIUZOZKDS-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COC1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000334845292 386892641 /nfs/dbraw/zinc/89/26/41/386892641.db2.gz FDHXNJDUHJFVQS-QCXCNERSSA-N 1 3 226.364 1.804 20 0 BDADHO [NH3+]CC1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000334833299 386872548 /nfs/dbraw/zinc/87/25/48/386872548.db2.gz OOPCFSPCAPJLSY-VQXHTEKXSA-N 1 3 247.333 1.091 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+]CC1(N)CCCCCC1 ZINC000334835863 386877011 /nfs/dbraw/zinc/87/70/11/386877011.db2.gz BIMKXCBROKKOOR-VXGBXAGGSA-N 1 3 226.364 1.805 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000162187342 386946992 /nfs/dbraw/zinc/94/69/92/386946992.db2.gz CUHYHOOCBKVKES-GHMZBOCLSA-N 1 3 235.331 1.265 20 0 BDADHO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000334866053 386921380 /nfs/dbraw/zinc/92/13/80/386921380.db2.gz VVIIWMXTXSSXFW-HNNXBMFYSA-N 1 3 245.370 1.988 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000334819870 386947397 /nfs/dbraw/zinc/94/73/97/386947397.db2.gz WBDMEWYOGMTBIK-GHMZBOCLSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2cccnc2)C1 ZINC000161708740 386927434 /nfs/dbraw/zinc/92/74/34/386927434.db2.gz JVPXDOPBNYMPKD-DGCLKSJQSA-N 1 3 219.332 1.293 20 0 BDADHO C[C@H](O)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331935956 386928040 /nfs/dbraw/zinc/92/80/40/386928040.db2.gz HXRIJSDAIOFMOD-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000398703977 386959367 /nfs/dbraw/zinc/95/93/67/386959367.db2.gz XSRJZZRGTQWPGN-WUHRBBMRSA-N 1 3 228.380 1.501 20 0 BDADHO CS[C@@H]1CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000425353846 386963014 /nfs/dbraw/zinc/96/30/14/386963014.db2.gz NJYSVHUZTDGBFC-VXGBXAGGSA-N 1 3 226.389 1.732 20 0 BDADHO COCCC1(CN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000395197381 386983415 /nfs/dbraw/zinc/98/34/15/386983415.db2.gz KUHFPUKEEMPXSZ-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1noc(C)c1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000110644262 387066465 /nfs/dbraw/zinc/06/64/65/387066465.db2.gz HOCDQCKICOIWGC-SECBINFHSA-N 1 3 237.347 1.851 20 0 BDADHO Fc1ccc(CCNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000107787931 387037206 /nfs/dbraw/zinc/03/72/06/387037206.db2.gz HKPHHEHOZQGZHA-CYBMUJFWSA-N 1 3 236.334 1.957 20 0 BDADHO Fc1ccc(CC[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000107787931 387037208 /nfs/dbraw/zinc/03/72/08/387037208.db2.gz HKPHHEHOZQGZHA-CYBMUJFWSA-N 1 3 236.334 1.957 20 0 BDADHO c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334981616 387067488 /nfs/dbraw/zinc/06/74/88/387067488.db2.gz UQYYYRXMIHIXJH-NWDGAFQWSA-N 1 3 235.331 1.496 20 0 BDADHO C[C@@H]1C[C@H](CN2CCOCC23CC3)CC[NH2+]1 ZINC000334882509 387025822 /nfs/dbraw/zinc/02/58/22/387025822.db2.gz NCAWYJSZACMHER-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO CCCCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228473148 387088193 /nfs/dbraw/zinc/08/81/93/387088193.db2.gz SZDAQJWGADSQOH-BFHYXJOUSA-N 1 3 240.391 1.862 20 0 BDADHO CN(CCc1ccccc1)CCN1CC[NH2+]CC1 ZINC000071148790 387094530 /nfs/dbraw/zinc/09/45/30/387094530.db2.gz YRVVHMPWBVEVNM-UHFFFAOYSA-N 1 3 247.386 1.066 20 0 BDADHO CC1(F)CC(N[C@H]2CCC[NH2+]CC2)C1 ZINC000335006702 387101192 /nfs/dbraw/zinc/10/11/92/387101192.db2.gz NGTLLHJHMOSWAQ-WHXUTIOJSA-N 1 3 200.301 1.609 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC(F)(F)C1 ZINC000335008204 387103585 /nfs/dbraw/zinc/10/35/85/387103585.db2.gz IIRNXYNUYZDRLZ-WPRPVWTQSA-N 1 3 218.291 1.891 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCC1=CCOCC1 ZINC000335010653 387104530 /nfs/dbraw/zinc/10/45/30/387104530.db2.gz JBCMLIIDTSJAAZ-QWHCGFSZSA-N 1 3 224.348 1.583 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1=CCOCC1 ZINC000335010652 387104789 /nfs/dbraw/zinc/10/47/89/387104789.db2.gz JBCMLIIDTSJAAZ-OLZOCXBDSA-N 1 3 224.348 1.583 20 0 BDADHO CC(C)[C@]1(C)C[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000397243688 387110409 /nfs/dbraw/zinc/11/04/09/387110409.db2.gz SNWCORYAFJBABM-MCIONIFRSA-N 1 3 240.391 1.466 20 0 BDADHO CC(C)[C@]1(C)C[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397243688 387110415 /nfs/dbraw/zinc/11/04/15/387110415.db2.gz SNWCORYAFJBABM-MCIONIFRSA-N 1 3 240.391 1.466 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN)[C@H]1C ZINC000423306527 387141720 /nfs/dbraw/zinc/14/17/20/387141720.db2.gz LPUFMOJXCDJZNZ-BJDJZHNGSA-N 1 3 242.363 1.149 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423307895 387142908 /nfs/dbraw/zinc/14/29/08/387142908.db2.gz NWPROBBEALHCER-AAVRWANBSA-N 1 3 240.391 1.766 20 0 BDADHO CCO[C@H]1C[C@H](NCC2C[NH2+]C2)C12CCCC2 ZINC000423308076 387143255 /nfs/dbraw/zinc/14/32/55/387143255.db2.gz XGVIZDKWSIWRFT-STQMWFEESA-N 1 3 238.375 1.533 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CC2CNC2)C12CCCC2 ZINC000423308076 387143262 /nfs/dbraw/zinc/14/32/62/387143262.db2.gz XGVIZDKWSIWRFT-STQMWFEESA-N 1 3 238.375 1.533 20 0 BDADHO CCC[NH2+]CCN[C@H](CC)[C@@H]1CCOC1 ZINC000423312371 387148238 /nfs/dbraw/zinc/14/82/38/387148238.db2.gz RRHLXEUIAQMLKN-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN ZINC000423312475 387151985 /nfs/dbraw/zinc/15/19/85/387151985.db2.gz VFTQUVKBDAKCFH-SDDRHHMPSA-N 1 3 214.353 1.376 20 0 BDADHO CCC[NH2+]CCN[C@H]1CCC[C@H]1CCOC ZINC000423316873 387157328 /nfs/dbraw/zinc/15/73/28/387157328.db2.gz YIRHWXBWBJQNQS-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C1(CC)CC ZINC000423320314 387162844 /nfs/dbraw/zinc/16/28/44/387162844.db2.gz GDWOLBIZHJALJN-IJLUTSLNSA-N 1 3 228.380 1.907 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H](C)C[NH3+])C1(CC)CC ZINC000423320316 387162919 /nfs/dbraw/zinc/16/29/19/387162919.db2.gz GDWOLBIZHJALJN-WOPDTQHZSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H](NC1CC([NH+]2CCCCC2)C1)[C@H](C)O ZINC000571790787 387171541 /nfs/dbraw/zinc/17/15/41/387171541.db2.gz AFLYRCADHBTTCL-IALDZJHCSA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccncc1 ZINC000423330919 387175907 /nfs/dbraw/zinc/17/59/07/387175907.db2.gz UJZOBTHFBDITPP-CHWSQXEVSA-N 1 3 219.332 1.860 20 0 BDADHO CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371302000 387188794 /nfs/dbraw/zinc/18/87/94/387188794.db2.gz XGVPZUJKJLHMQC-MELADBBJSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@H](CC(=O)Nc1ccccc1)NC[C@@H](C)C[NH3+] ZINC000423301479 387135008 /nfs/dbraw/zinc/13/50/08/387135008.db2.gz TWGNDMZAFSYMDK-NWDGAFQWSA-N 1 3 249.358 1.588 20 0 BDADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H](C)CN ZINC000423301479 387135013 /nfs/dbraw/zinc/13/50/13/387135013.db2.gz TWGNDMZAFSYMDK-NWDGAFQWSA-N 1 3 249.358 1.588 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000370665021 387135061 /nfs/dbraw/zinc/13/50/61/387135061.db2.gz MLWHGGFZTOFZDM-LLVKDONJSA-N 1 3 202.317 1.762 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000370665021 387135067 /nfs/dbraw/zinc/13/50/67/387135067.db2.gz MLWHGGFZTOFZDM-LLVKDONJSA-N 1 3 202.317 1.762 20 0 BDADHO C[NH+](C)CCCNC1CC(c2ccccn2)C1 ZINC000370740418 387138489 /nfs/dbraw/zinc/13/84/89/387138489.db2.gz OKKAVBDUVYEABH-UHFFFAOYSA-N 1 3 233.359 1.869 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000300397052 387204179 /nfs/dbraw/zinc/20/41/79/387204179.db2.gz SJMXUIZQXVHHDM-RWMBFGLXSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@@H](Cc1ccoc1)NCC[C@H]1CCC[NH2+]1 ZINC000423353847 387206167 /nfs/dbraw/zinc/20/61/67/387206167.db2.gz DWQRVICJYKDGIK-WCQYABFASA-N 1 3 222.332 1.942 20 0 BDADHO CCC1(CC)[C@H](N[C@@H](C)C[NH3+])C[C@H]1OC ZINC000423361414 387212384 /nfs/dbraw/zinc/21/23/84/387212384.db2.gz GQJAVDVKHNEHAQ-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423362874 387215105 /nfs/dbraw/zinc/21/51/05/387215105.db2.gz ILEDWMWURYAKEZ-KCQAQPDRSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423362874 387215111 /nfs/dbraw/zinc/21/51/11/387215111.db2.gz ILEDWMWURYAKEZ-KCQAQPDRSA-N 1 3 247.386 1.586 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+](C)C1CC(O)C1 ZINC000353498373 387215971 /nfs/dbraw/zinc/21/59/71/387215971.db2.gz VCELLXASVXWPAF-HIFPTAJRSA-N 1 3 226.364 1.316 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+](C)C1CC(O)C1 ZINC000353498373 387215976 /nfs/dbraw/zinc/21/59/76/387215976.db2.gz VCELLXASVXWPAF-HIFPTAJRSA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000120260690 387216538 /nfs/dbraw/zinc/21/65/38/387216538.db2.gz YMSOLVLADSQKEY-LOWDOPEQSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000120260690 387216545 /nfs/dbraw/zinc/21/65/45/387216545.db2.gz YMSOLVLADSQKEY-LOWDOPEQSA-N 1 3 224.348 1.380 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1COCC ZINC000423367735 387218419 /nfs/dbraw/zinc/21/84/19/387218419.db2.gz ALXFQKJLEMABRS-FRRDWIJNSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366720 387218475 /nfs/dbraw/zinc/21/84/75/387218475.db2.gz QIBWBPVFYUMHEF-YRGRVCCFSA-N 1 3 237.391 1.201 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423373023 387225886 /nfs/dbraw/zinc/22/58/86/387225886.db2.gz GTJUDIQJZVEHCS-RQJABVFESA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000423373285 387230361 /nfs/dbraw/zinc/23/03/61/387230361.db2.gz JCGRYNCUQGGILQ-RFHZTLPTSA-N 1 3 237.391 1.199 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000300709352 387238377 /nfs/dbraw/zinc/23/83/77/387238377.db2.gz DBAZOTKVHURXEQ-MRVWCRGKSA-N 1 3 242.407 1.904 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000300698138 387239206 /nfs/dbraw/zinc/23/92/06/387239206.db2.gz VFRCXJKLFDHXQK-RDBSUJKOSA-N 1 3 242.407 1.892 20 0 BDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)CN(C)C ZINC000360185002 387241261 /nfs/dbraw/zinc/24/12/61/387241261.db2.gz OMBWHNRIHDACHZ-RYUDHWBXSA-N 1 3 243.395 1.219 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1(C)C ZINC000423404701 387241794 /nfs/dbraw/zinc/24/17/94/387241794.db2.gz ZDVIENGSRPJOJZ-FVCCEPFGSA-N 1 3 240.391 1.920 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423404701 387241796 /nfs/dbraw/zinc/24/17/96/387241796.db2.gz ZDVIENGSRPJOJZ-FVCCEPFGSA-N 1 3 240.391 1.920 20 0 BDADHO CC1(C)CCC[C@H]([NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000423406402 387244652 /nfs/dbraw/zinc/24/46/52/387244652.db2.gz KQMJLPBXHAYDPR-GRYCIOLGSA-N 1 3 226.364 1.125 20 0 BDADHO CC1(C)CCC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000423406402 387244655 /nfs/dbraw/zinc/24/46/55/387244655.db2.gz KQMJLPBXHAYDPR-GRYCIOLGSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](NC[C@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473766 387319153 /nfs/dbraw/zinc/31/91/53/387319153.db2.gz OAVJSHDKHWTTNV-SRVKXCTJSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423375678 387258291 /nfs/dbraw/zinc/25/82/91/387258291.db2.gz DBPWQWLJHKDTAQ-JHJVBQTASA-N 1 3 239.407 1.304 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000423383498 387267244 /nfs/dbraw/zinc/26/72/44/387267244.db2.gz PGPWBMCQLUOPAM-LOWVWBTDSA-N 1 3 225.380 1.057 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CN(C2CC2)C[C@H]1C ZINC000423383501 387268024 /nfs/dbraw/zinc/26/80/24/387268024.db2.gz PGPWBMCQLUOPAM-WZRBSPASSA-N 1 3 225.380 1.057 20 0 BDADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)CN ZINC000423385721 387268732 /nfs/dbraw/zinc/26/87/32/387268732.db2.gz GYRHOIVIRQVHOR-UFBFGSQYSA-N 1 3 238.306 1.758 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C12CCC2 ZINC000423385807 387268994 /nfs/dbraw/zinc/26/89/94/387268994.db2.gz RBJMNDYRAIMFSC-ZDEQEGDKSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C12CCC2 ZINC000423385807 387268997 /nfs/dbraw/zinc/26/89/97/387268997.db2.gz RBJMNDYRAIMFSC-ZDEQEGDKSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389128 387273624 /nfs/dbraw/zinc/27/36/24/387273624.db2.gz NIEFRMJOMOYQGK-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395168 387281650 /nfs/dbraw/zinc/28/16/50/387281650.db2.gz NGAGPHVSSLNMBN-CZXHOFHRSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@@H]1CCC[C@@H](C)C1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432695 387283029 /nfs/dbraw/zinc/28/30/29/387283029.db2.gz MRDBSQJYTBYEGS-YFVNTRNASA-N 1 3 208.349 1.619 20 0 BDADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000423433656 387283124 /nfs/dbraw/zinc/28/31/24/387283124.db2.gz NHZYYBDISAQYLL-SCDSUCTJSA-N 1 3 248.374 1.459 20 0 BDADHO C1CCC2(C1)CCC[C@@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433775 387285478 /nfs/dbraw/zinc/28/54/78/387285478.db2.gz PNAYIZNEAUVTTN-QNWHQSFQSA-N 1 3 220.360 1.907 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CNCCC1(F)F ZINC000423480464 387296922 /nfs/dbraw/zinc/29/69/22/387296922.db2.gz NHYPKXFKSOWPIP-AXFHLTTASA-N 1 3 247.333 1.091 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[NH2+]C(C)C ZINC000514930518 387308092 /nfs/dbraw/zinc/30/80/92/387308092.db2.gz MYILGEFBWFGTNO-MNOVXSKESA-N 1 3 202.342 1.388 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000514931720 387308432 /nfs/dbraw/zinc/30/84/32/387308432.db2.gz VXNUGPGBQLNVCL-GMTAPVOTSA-N 1 3 247.333 1.233 20 0 BDADHO CCN1C[C@@H](C)[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423523332 387354727 /nfs/dbraw/zinc/35/47/27/387354727.db2.gz IFZIYQWFGMNSIW-DGCLKSJQSA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000515338116 387365153 /nfs/dbraw/zinc/36/51/53/387365153.db2.gz WSSVUGFKEOXFAY-CYBMUJFWSA-N 1 3 244.342 1.699 20 0 BDADHO CC[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423541183 387366359 /nfs/dbraw/zinc/36/63/59/387366359.db2.gz FIRTWWLCBPEPRT-LOWDOPEQSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1CCC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643502971 387367956 /nfs/dbraw/zinc/36/79/56/387367956.db2.gz WQKWIVHXXFQTLN-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000423549170 387369742 /nfs/dbraw/zinc/36/97/42/387369742.db2.gz HMRSLQAHAVHUQQ-WCFLWFBJSA-N 1 3 240.391 1.778 20 0 BDADHO Cc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])cc(C)n1 ZINC000423561316 387377355 /nfs/dbraw/zinc/37/73/55/387377355.db2.gz VSFZWIWJQAWKMK-UONOGXRCSA-N 1 3 233.359 1.915 20 0 BDADHO COC[C@@H]([NH2+]CCCNC1CC1)C1CCCC1 ZINC000423562546 387377425 /nfs/dbraw/zinc/37/74/25/387377425.db2.gz QQAYYQDKIKVBHG-CQSZACIVSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@@H](NCCC[NH2+]C1CC1)C1CCCC1 ZINC000423562546 387377430 /nfs/dbraw/zinc/37/74/30/387377430.db2.gz QQAYYQDKIKVBHG-CQSZACIVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423566313 387377776 /nfs/dbraw/zinc/37/77/76/387377776.db2.gz UBUYHDUNTBABQD-DYEKYZERSA-N 1 3 237.391 1.201 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475180 387322643 /nfs/dbraw/zinc/32/26/43/387322643.db2.gz RSMAMGGZIVFPCY-QNWHQSFQSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)[C@H](Cn1cccn1)N[C@H](C)[C@H](C)[NH3+] ZINC000423482988 387328468 /nfs/dbraw/zinc/32/84/68/387328468.db2.gz XQTKPCMEISEPDF-TUAOUCFPSA-N 1 3 224.352 1.233 20 0 BDADHO CC(C)[C@H](Cn1cccn1)N[C@H](C)[C@@H](C)[NH3+] ZINC000423482989 387329999 /nfs/dbraw/zinc/32/99/99/387329999.db2.gz XQTKPCMEISEPDF-UTUOFQBUSA-N 1 3 224.352 1.233 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423486836 387333039 /nfs/dbraw/zinc/33/30/39/387333039.db2.gz ZYVKXENPHOAPCZ-WISYIIOYSA-N 1 3 224.348 1.271 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423486813 387334458 /nfs/dbraw/zinc/33/44/58/387334458.db2.gz ZYVKXENPHOAPCZ-DDHJBXDOSA-N 1 3 224.348 1.271 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423499723 387340708 /nfs/dbraw/zinc/34/07/08/387340708.db2.gz JLHZHZOOFUOTKC-RRFJBIMHSA-N 1 3 247.386 1.718 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423508858 387345334 /nfs/dbraw/zinc/34/53/34/387345334.db2.gz QZGZGFRCLKZPFY-SLEUVZQESA-N 1 3 249.402 1.964 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423511464 387348692 /nfs/dbraw/zinc/34/86/92/387348692.db2.gz TUMVBHPSWFCNCG-DLOVCJGASA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1C[N@@H+]([C@H]2CCN(C)C[C@@H]2C)C[C@@]1(C)CN ZINC000423516346 387351469 /nfs/dbraw/zinc/35/14/69/387351469.db2.gz WPEGXRKVEWMARA-RFQIPJPRSA-N 1 3 239.407 1.243 20 0 BDADHO C[C@@H]1C[N@H+]([C@H]2CCN(C)C[C@@H]2C)C[C@@]1(C)CN ZINC000423516346 387351472 /nfs/dbraw/zinc/35/14/72/387351472.db2.gz WPEGXRKVEWMARA-RFQIPJPRSA-N 1 3 239.407 1.243 20 0 BDADHO CCC[C@H](C(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000423700724 387401410 /nfs/dbraw/zinc/40/14/10/387401410.db2.gz UQIWAUDJESFQFZ-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO CC[NH2+]CCCN[C@@H](COC)C1CCCC1 ZINC000515634022 387403745 /nfs/dbraw/zinc/40/37/45/387403745.db2.gz CXLWDTOGYMSFPZ-ZDUSSCGKSA-N 1 3 228.380 1.781 20 0 BDADHO C[NH+](C)CCCN[C@H]1COC(C)(C)C1 ZINC000396842329 387501893 /nfs/dbraw/zinc/50/18/93/387501893.db2.gz IIFWKPOMJMSWQE-SNVBAGLBSA-N 1 3 200.326 1.095 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000643475344 387508667 /nfs/dbraw/zinc/50/86/67/387508667.db2.gz JDMUGOPPIQHIOC-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396894519 387509255 /nfs/dbraw/zinc/50/92/55/387509255.db2.gz RYVXHEFPOVHPAX-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)CCOCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000122322792 387514570 /nfs/dbraw/zinc/51/45/70/387514570.db2.gz XEZYKXFAZSAPEV-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[C@H](C)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000310090715 387533912 /nfs/dbraw/zinc/53/39/12/387533912.db2.gz DWXRQGADYNOEMS-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000192795663 387534364 /nfs/dbraw/zinc/53/43/64/387534364.db2.gz BIOQTTJBFYCJEW-RWMBFGLXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192795663 387534368 /nfs/dbraw/zinc/53/43/68/387534368.db2.gz BIOQTTJBFYCJEW-RWMBFGLXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192795663 387534370 /nfs/dbraw/zinc/53/43/70/387534370.db2.gz BIOQTTJBFYCJEW-RWMBFGLXSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)NCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000643508365 387488946 /nfs/dbraw/zinc/48/89/46/387488946.db2.gz VQAFQKKUHXSLHV-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000422535452 387595695 /nfs/dbraw/zinc/59/56/95/387595695.db2.gz CMRWDPUJBUNERV-ZDUSSCGKSA-N 1 3 247.342 1.472 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H](C)C[C@H](C)[NH3+] ZINC000422700556 387616009 /nfs/dbraw/zinc/61/60/09/387616009.db2.gz ACFSPLNNBJDNBS-HOSYDEDBSA-N 1 3 216.369 1.499 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422705407 387620291 /nfs/dbraw/zinc/62/02/91/387620291.db2.gz BTYYQISQONXUKD-IRCOFANPSA-N 1 3 214.353 1.110 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422706625 387620492 /nfs/dbraw/zinc/62/04/92/387620492.db2.gz FNPZVIMJYIDTGH-XWLWVQCSSA-N 1 3 202.342 1.109 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422705406 387620764 /nfs/dbraw/zinc/62/07/64/387620764.db2.gz BTYYQISQONXUKD-FIQHERPVSA-N 1 3 214.353 1.110 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422708082 387622214 /nfs/dbraw/zinc/62/22/14/387622214.db2.gz BIVXBBUDJGFXOQ-NWDGAFQWSA-N 1 3 213.369 1.188 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000527532822 387622415 /nfs/dbraw/zinc/62/24/15/387622415.db2.gz OZCWZJTUMCEOAS-IJLUTSLNSA-N 1 3 224.348 1.286 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCC[C@H]1N ZINC000422708261 387623439 /nfs/dbraw/zinc/62/34/39/387623439.db2.gz ISTVTSITBPASTD-NEPJUHHUSA-N 1 3 213.369 1.188 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC23CCC3)CCO1 ZINC000527533824 387625246 /nfs/dbraw/zinc/62/52/46/387625246.db2.gz VYQBRXLQBRAFMR-GRYCIOLGSA-N 1 3 224.348 1.428 20 0 BDADHO CC(C)CCOCCN[C@@](C)(C[NH3+])C1CC1 ZINC000430555597 387626949 /nfs/dbraw/zinc/62/69/49/387626949.db2.gz JADKXVPQMVAOOZ-ZDUSSCGKSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@H](NC[C@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000397181239 387549783 /nfs/dbraw/zinc/54/97/83/387549783.db2.gz JBUORPYCKOUSRI-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H](N)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000036871245 387556899 /nfs/dbraw/zinc/55/68/99/387556899.db2.gz RLWUQXMGIZWQBP-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO CCN(C)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422722522 387632499 /nfs/dbraw/zinc/63/24/99/387632499.db2.gz YGAKNUAGHYIKAT-HIFRSBDPSA-N 1 3 249.402 1.486 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCCOC1 ZINC000126798136 387694873 /nfs/dbraw/zinc/69/48/73/387694873.db2.gz KCHNGLLKAJYCLZ-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422734691 387643950 /nfs/dbraw/zinc/64/39/50/387643950.db2.gz SUNDHNIFYDDMIO-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccn1 ZINC000527637866 387646766 /nfs/dbraw/zinc/64/67/66/387646766.db2.gz QAJTYECQVSVIKW-AWEZNQCLSA-N 1 3 245.370 1.964 20 0 BDADHO C[C@@H](NC[C@H](C)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422740381 387648140 /nfs/dbraw/zinc/64/81/40/387648140.db2.gz MPWSUOVKIHZFRU-TUAOUCFPSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(C2CC2)C1 ZINC000422746144 387650261 /nfs/dbraw/zinc/65/02/61/387650261.db2.gz VZYODZUUPXZBKQ-DYEKYZERSA-N 1 3 237.391 1.201 20 0 BDADHO CC(C)COCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422794554 387695290 /nfs/dbraw/zinc/69/52/90/387695290.db2.gz ZAGZBUAGEQAHRZ-OLZOCXBDSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)(C)C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422751971 387656056 /nfs/dbraw/zinc/65/60/56/387656056.db2.gz CBQDEZIFCUJDRR-HNGCFSAESA-N 1 3 240.391 1.656 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccccc1 ZINC000422750167 387656262 /nfs/dbraw/zinc/65/62/62/387656262.db2.gz CHYNOLWQAVYKMQ-VXGBXAGGSA-N 1 3 222.332 1.781 20 0 BDADHO C[C@H](NC[C@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756464 387661217 /nfs/dbraw/zinc/66/12/17/387661217.db2.gz LMWRBPVKFHNMNG-SWLSCSKDSA-N 1 3 247.386 1.487 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)CC(C)(C)C ZINC000422757659 387661395 /nfs/dbraw/zinc/66/13/95/387661395.db2.gz ISIUTWDVDAVSSD-DCAQKATOSA-N 1 3 216.369 1.499 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424136930 387661738 /nfs/dbraw/zinc/66/17/38/387661738.db2.gz BIAQDMKUMVMGKG-NEPJUHHUSA-N 1 3 247.342 1.342 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1N ZINC000422763137 387666554 /nfs/dbraw/zinc/66/65/54/387666554.db2.gz SYJXDQNEJWWMIS-NWDGAFQWSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cnccc1N ZINC000422763137 387666557 /nfs/dbraw/zinc/66/65/57/387666557.db2.gz SYJXDQNEJWWMIS-NWDGAFQWSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cnccc1N ZINC000422763137 387666560 /nfs/dbraw/zinc/66/65/60/387666560.db2.gz SYJXDQNEJWWMIS-NWDGAFQWSA-N 1 3 248.374 1.629 20 0 BDADHO C[C@H](CN1CCC[C@@H](C)C1)N[C@H](C)C1C[NH2+]C1 ZINC000422769550 387667071 /nfs/dbraw/zinc/66/70/71/387667071.db2.gz VEJLPXUFSGYDJD-JHJVBQTASA-N 1 3 239.407 1.304 20 0 BDADHO CN(CC[NH2+][C@H]1CCC[C@@H]1N)Cc1ccccc1 ZINC000422767326 387667788 /nfs/dbraw/zinc/66/77/88/387667788.db2.gz RXOSYKAKWXWRMD-GJZGRUSLSA-N 1 3 247.386 1.588 20 0 BDADHO CN(CCN[C@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767326 387667795 /nfs/dbraw/zinc/66/77/95/387667795.db2.gz RXOSYKAKWXWRMD-GJZGRUSLSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOC1CCCC1 ZINC000422773649 387670519 /nfs/dbraw/zinc/67/05/19/387670519.db2.gz ZBTIWTSKAJDROL-QWRGUYRKSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOC1CCCC1 ZINC000422773650 387670719 /nfs/dbraw/zinc/67/07/19/387670719.db2.gz ZBTIWTSKAJDROL-WDEREUQCSA-N 1 3 214.353 1.661 20 0 BDADHO CCCCOCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422776540 387672801 /nfs/dbraw/zinc/67/28/01/387672801.db2.gz CVTHXIIOKTYXJF-YNEHKIRRSA-N 1 3 244.379 1.145 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000126257826 387676573 /nfs/dbraw/zinc/67/65/73/387676573.db2.gz PFBIVGJFELRKNE-CHWSQXEVSA-N 1 3 236.363 1.380 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cnn(C)c1 ZINC000044498877 387683027 /nfs/dbraw/zinc/68/30/27/387683027.db2.gz ZFJQGQFWLIBPAU-VXGBXAGGSA-N 1 3 248.374 1.555 20 0 BDADHO COC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)C(C)C ZINC000126502528 387687004 /nfs/dbraw/zinc/68/70/04/387687004.db2.gz UXPOBKJQSAFYKD-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H](NC[C@@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502528 387687009 /nfs/dbraw/zinc/68/70/09/387687009.db2.gz UXPOBKJQSAFYKD-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCC[C@@H](C)C1 ZINC000422862917 387742974 /nfs/dbraw/zinc/74/29/74/387742974.db2.gz OFAPJCXSGMWNMR-SYQHCUMBSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861056 387743355 /nfs/dbraw/zinc/74/33/55/387743355.db2.gz IWPSFOKHDXQSHP-CIQGVGRVSA-N 1 3 237.391 1.342 20 0 BDADHO CC1CCN(CCN[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422859471 387743429 /nfs/dbraw/zinc/74/34/29/387743429.db2.gz KCVGQXBRQCYPEF-KBPBESRZSA-N 1 3 239.407 1.306 20 0 BDADHO C[C@H](NCCN1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862098 387744402 /nfs/dbraw/zinc/74/44/02/387744402.db2.gz NJVMRFHSXYPWOY-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CN1CCN(CC[NH2+]CC(C)(C)C)CC1(C)C ZINC000441350873 387748428 /nfs/dbraw/zinc/74/84/28/387748428.db2.gz RMSLZFNEJIOZSV-UHFFFAOYSA-N 1 3 241.423 1.648 20 0 BDADHO CC1CCN(CC[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000422868055 387748750 /nfs/dbraw/zinc/74/87/50/387748750.db2.gz UFTMHTHHMZWAJC-CHWSQXEVSA-N 1 3 225.380 1.188 20 0 BDADHO CC1CCN(CCN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422868055 387748755 /nfs/dbraw/zinc/74/87/55/387748755.db2.gz UFTMHTHHMZWAJC-CHWSQXEVSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H](NCCN1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871384 387750300 /nfs/dbraw/zinc/75/03/00/387750300.db2.gz ZYKKWJFGZYPKMM-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO CC[C@H](Cc1ccccc1)NC[C@@H](C)[NH3+] ZINC000643525672 387753085 /nfs/dbraw/zinc/75/30/85/387753085.db2.gz AAHUQFDSSJVUCH-DGCLKSJQSA-N 1 3 206.333 1.945 20 0 BDADHO CO[C@@H](CN[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806311 387704319 /nfs/dbraw/zinc/70/43/19/387704319.db2.gz HXZHHNAMTWPABU-KOLCDFICSA-N 1 3 214.353 1.245 20 0 BDADHO CO[C@@H](C[NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000422806311 387704323 /nfs/dbraw/zinc/70/43/23/387704323.db2.gz HXZHHNAMTWPABU-KOLCDFICSA-N 1 3 214.353 1.245 20 0 BDADHO CN(CCN[C@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422805439 387706550 /nfs/dbraw/zinc/70/65/50/387706550.db2.gz GUIGMDFPLPIPNW-HIFRSBDPSA-N 1 3 247.386 1.840 20 0 BDADHO CN(CC[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000422805439 387706553 /nfs/dbraw/zinc/70/65/53/387706553.db2.gz GUIGMDFPLPIPNW-HIFRSBDPSA-N 1 3 247.386 1.840 20 0 BDADHO COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422808561 387707214 /nfs/dbraw/zinc/70/72/14/387707214.db2.gz OKLZXFUNFLCZDX-ZIAGYGMSSA-N 1 3 234.343 1.802 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422810909 387707803 /nfs/dbraw/zinc/70/78/03/387707803.db2.gz UYFCIKKECAVSQV-KBPBESRZSA-N 1 3 247.342 1.614 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000422811565 387708094 /nfs/dbraw/zinc/70/80/94/387708094.db2.gz PEDUGZJXCRPAOK-OUAUKWLOSA-N 1 3 214.353 1.517 20 0 BDADHO C[N@H+](CCCO)CCCN1CCCCC1 ZINC000440942944 387712500 /nfs/dbraw/zinc/71/25/00/387712500.db2.gz GXLFQXPUWPFCGA-UHFFFAOYSA-N 1 3 214.353 1.177 20 0 BDADHO C[N@@H+](CCCO)CCCN1CCCCC1 ZINC000440942944 387712508 /nfs/dbraw/zinc/71/25/08/387712508.db2.gz GXLFQXPUWPFCGA-UHFFFAOYSA-N 1 3 214.353 1.177 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000422817008 387714706 /nfs/dbraw/zinc/71/47/06/387714706.db2.gz BYOWSWOYKPKSST-ZDEQEGDKSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(C)CCCC[C@@H]1O ZINC000422817008 387714709 /nfs/dbraw/zinc/71/47/09/387714709.db2.gz BYOWSWOYKPKSST-ZDEQEGDKSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCC[C@H]1O ZINC000422824346 387719660 /nfs/dbraw/zinc/71/96/60/387719660.db2.gz NPIOWDSUJSOMAF-AAVRWANBSA-N 1 3 240.391 1.645 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1cccnc1 ZINC000422824015 387720426 /nfs/dbraw/zinc/72/04/26/387720426.db2.gz FXTSLLYVHCYBKK-UONOGXRCSA-N 1 3 233.359 1.874 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367549882 387723765 /nfs/dbraw/zinc/72/37/65/387723765.db2.gz HPITZKCKVRGVRT-BFHYXJOUSA-N 1 3 239.407 1.401 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726349 387724612 /nfs/dbraw/zinc/72/46/12/387724612.db2.gz LJVZVUQDZNIGEK-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726349 387724614 /nfs/dbraw/zinc/72/46/14/387724614.db2.gz LJVZVUQDZNIGEK-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H](NCCc1cc(F)ccc1F)C1C[NH2+]C1 ZINC000422834509 387727049 /nfs/dbraw/zinc/72/70/49/387727049.db2.gz ZRWJELQCVZQUHI-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO C[C@@H]([NH2+]CCc1cc(F)ccc1F)C1CNC1 ZINC000422834509 387727053 /nfs/dbraw/zinc/72/70/53/387727053.db2.gz ZRWJELQCVZQUHI-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCCNc1ccccn1 ZINC000422838785 387728603 /nfs/dbraw/zinc/72/86/03/387728603.db2.gz YBYLWLUFDRDCIJ-NEPJUHHUSA-N 1 3 234.347 1.353 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCCC[C@H]1C ZINC000422852726 387738789 /nfs/dbraw/zinc/73/87/89/387738789.db2.gz BCBDZBZELMODKG-YIYPIFLZSA-N 1 3 239.407 1.719 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCOC1 ZINC000422856116 387740508 /nfs/dbraw/zinc/74/05/08/387740508.db2.gz DPFROPYQVJFBJI-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000422856116 387740516 /nfs/dbraw/zinc/74/05/16/387740516.db2.gz DPFROPYQVJFBJI-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCC1 ZINC000422890632 387762630 /nfs/dbraw/zinc/76/26/30/387762630.db2.gz SRPQNPRORKUEMP-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO CC[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)N1CCCC1 ZINC000422961228 387811879 /nfs/dbraw/zinc/81/18/79/387811879.db2.gz BEEJXBVQOQOPTQ-BFHYXJOUSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000643527927 387763121 /nfs/dbraw/zinc/76/31/21/387763121.db2.gz VRVRVUVNEUDXDE-GXFFZTMASA-N 1 3 219.332 1.860 20 0 BDADHO CC[C@H](NC[C@@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000422898546 387766830 /nfs/dbraw/zinc/76/68/30/387766830.db2.gz FIJQALZGYBTYNZ-AVGNSLFASA-N 1 3 225.380 1.201 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422909509 387768468 /nfs/dbraw/zinc/76/84/68/387768468.db2.gz OEZNWYRHNOBTCS-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO COc1cccc(C[C@H](NC[C@H](C)[NH3+])C2CC2)c1 ZINC000643528875 387771651 /nfs/dbraw/zinc/77/16/51/387771651.db2.gz QIQZZURVRFFRNB-NHYWBVRUSA-N 1 3 248.370 1.953 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCC(F)(F)F ZINC000422917879 387772794 /nfs/dbraw/zinc/77/27/94/387772794.db2.gz FXRHBRALVQRSSG-IUCAKERBSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000643528818 387773296 /nfs/dbraw/zinc/77/32/96/387773296.db2.gz PLFHSWZBSUMVPL-KWBADKCTSA-N 1 3 204.317 1.857 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NC[C@H](C)[NH3+])CC2 ZINC000643528144 387775457 /nfs/dbraw/zinc/77/54/57/387775457.db2.gz DNVFMKKALSTLJY-GWCFXTLKSA-N 1 3 234.343 1.489 20 0 BDADHO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)C1CNC1 ZINC000422921240 387776068 /nfs/dbraw/zinc/77/60/68/387776068.db2.gz PGWGXHMGTQXPPF-OBJOEFQTSA-N 1 3 240.391 1.635 20 0 BDADHO Cc1cccc(NCC[NH2+][C@H]2CCC[C@H]2N)n1 ZINC000422922803 387777205 /nfs/dbraw/zinc/77/72/05/387777205.db2.gz UPADZDJWWZBJSB-NEPJUHHUSA-N 1 3 234.347 1.271 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H](OC)C1 ZINC000643530007 387780600 /nfs/dbraw/zinc/78/06/00/387780600.db2.gz WRMOCQCJTSDZHK-WOPDTQHZSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@H]1CCCc2c[nH]nc21 ZINC000422932980 387780976 /nfs/dbraw/zinc/78/09/76/387780976.db2.gz CWRMTUAVRJEYGZ-JQWIXIFHSA-N 1 3 236.363 1.894 20 0 BDADHO CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422932513 387781366 /nfs/dbraw/zinc/78/13/66/387781366.db2.gz ZITDCBXMLWGBHF-FRRDWIJNSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCCN1 ZINC000422944567 387785580 /nfs/dbraw/zinc/78/55/80/387785580.db2.gz SJHJZITWOZNBSS-DRZSPHRISA-N 1 3 248.374 1.387 20 0 BDADHO CCOCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422902168 387787460 /nfs/dbraw/zinc/78/74/60/387787460.db2.gz TXNAAWZBKFVTDT-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527975283 387812748 /nfs/dbraw/zinc/81/27/48/387812748.db2.gz UAWZIGMUIPGTIQ-LPWJVIDDSA-N 1 3 226.364 1.484 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000527975283 387812750 /nfs/dbraw/zinc/81/27/50/387812750.db2.gz UAWZIGMUIPGTIQ-LPWJVIDDSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(O)CCC1 ZINC000422982742 387794066 /nfs/dbraw/zinc/79/40/66/387794066.db2.gz XUAAHEKXQDVHQP-JSGCOSHPSA-N 1 3 248.370 1.450 20 0 BDADHO COCCC1(CN[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422986845 387795111 /nfs/dbraw/zinc/79/51/11/387795111.db2.gz DLRPKLBVUKZJGY-NEPJUHHUSA-N 1 3 226.364 1.391 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(O)cc1 ZINC000422988267 387798133 /nfs/dbraw/zinc/79/81/33/387798133.db2.gz KCHBFYSXIZYKPU-STQMWFEESA-N 1 3 220.316 1.404 20 0 BDADHO C[C@@H](NC[C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422989764 387798759 /nfs/dbraw/zinc/79/87/59/387798759.db2.gz MKVPZFJLQHDQAW-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1(CCO)CCC1 ZINC000422993099 387801166 /nfs/dbraw/zinc/80/11/66/387801166.db2.gz SIMBTVVBGMRRGL-RYUDHWBXSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422994528 387801893 /nfs/dbraw/zinc/80/18/93/387801893.db2.gz IBIXWCCNRSHPKI-HIFRSBDPSA-N 1 3 247.386 1.992 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422996886 387802289 /nfs/dbraw/zinc/80/22/89/387802289.db2.gz ADSOFEQAAYYDKU-SDDRHHMPSA-N 1 3 230.396 1.745 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000422996886 387802295 /nfs/dbraw/zinc/80/22/95/387802295.db2.gz ADSOFEQAAYYDKU-SDDRHHMPSA-N 1 3 230.396 1.745 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](CC)COC)C1 ZINC000151137167 387802900 /nfs/dbraw/zinc/80/29/00/387802900.db2.gz LPHFMGBGUXOLAQ-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)COC)C1 ZINC000151137167 387802903 /nfs/dbraw/zinc/80/29/03/387802903.db2.gz LPHFMGBGUXOLAQ-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](CC)COC)C1 ZINC000151137167 387802908 /nfs/dbraw/zinc/80/29/08/387802908.db2.gz LPHFMGBGUXOLAQ-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1CNC1 ZINC000643477990 387802904 /nfs/dbraw/zinc/80/29/04/387802904.db2.gz MLBORIVJNGEIEH-QWHCGFSZSA-N 1 3 244.382 1.989 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@H](C)C[C@H](C)[NH3+] ZINC000422996888 387803024 /nfs/dbraw/zinc/80/30/24/387803024.db2.gz ADSOFEQAAYYDKU-TUAOUCFPSA-N 1 3 230.396 1.745 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000422996888 387803026 /nfs/dbraw/zinc/80/30/26/387803026.db2.gz ADSOFEQAAYYDKU-TUAOUCFPSA-N 1 3 230.396 1.745 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001244 387804983 /nfs/dbraw/zinc/80/49/83/387804983.db2.gz DIRPBVWDSLQMJO-XDQVBPFNSA-N 1 3 240.391 1.645 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000423002235 387807527 /nfs/dbraw/zinc/80/75/27/387807527.db2.gz YOZKAPMATMVCAO-OCCSQVGLSA-N 1 3 233.359 1.731 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC1(C)C ZINC000422956504 387809062 /nfs/dbraw/zinc/80/90/62/387809062.db2.gz PSYFZFXUWRQXCH-WHOHXGKFSA-N 1 3 226.364 1.374 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000422956501 387809289 /nfs/dbraw/zinc/80/92/89/387809289.db2.gz PSYFZFXUWRQXCH-BJDJZHNGSA-N 1 3 226.364 1.374 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCS1)C1CNC1 ZINC000422882283 387758010 /nfs/dbraw/zinc/75/80/10/387758010.db2.gz ZVUDBWDYSBZFFD-ONGXEEELSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H](NC[C@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882283 387758012 /nfs/dbraw/zinc/75/80/12/387758012.db2.gz ZVUDBWDYSBZFFD-ONGXEEELSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H](N[C@@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880918 387758119 /nfs/dbraw/zinc/75/81/19/387758119.db2.gz XUEMCGTWQYRBRU-UVLXDEKHSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)C1CNC1 ZINC000422882281 387758401 /nfs/dbraw/zinc/75/84/01/387758401.db2.gz ZVUDBWDYSBZFFD-MWLCHTKSSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H](NC[C@@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882281 387758405 /nfs/dbraw/zinc/75/84/05/387758405.db2.gz ZVUDBWDYSBZFFD-MWLCHTKSSA-N 1 3 214.378 1.470 20 0 BDADHO CC(C)N(C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422882527 387758551 /nfs/dbraw/zinc/75/85/51/387758551.db2.gz SMNSRPVSWGNUNQ-OLZOCXBDSA-N 1 3 227.396 1.304 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422972177 387820540 /nfs/dbraw/zinc/82/05/40/387820540.db2.gz KSIGBEMINSCQBX-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000423004627 387826339 /nfs/dbraw/zinc/82/63/39/387826339.db2.gz KKGZGVCRNHRRBL-MQYQWHSLSA-N 1 3 240.391 1.515 20 0 BDADHO COc1cccc(CCN[C@H](C)C[C@H](C)[NH3+])n1 ZINC000423005029 387826412 /nfs/dbraw/zinc/82/64/12/387826412.db2.gz LMTJHSRFCARNSM-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO COc1cccc(CC[NH2+][C@H](C)C[C@H](C)N)n1 ZINC000423005029 387826416 /nfs/dbraw/zinc/82/64/16/387826416.db2.gz LMTJHSRFCARNSM-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)C1C[NH2+]C1 ZINC000423006156 387828597 /nfs/dbraw/zinc/82/85/97/387828597.db2.gz UIAIZFHUOFYVSQ-MJVIPROJSA-N 1 3 246.354 1.749 20 0 BDADHO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C1CNC1 ZINC000423006156 387828602 /nfs/dbraw/zinc/82/86/02/387828602.db2.gz UIAIZFHUOFYVSQ-MJVIPROJSA-N 1 3 246.354 1.749 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423007665 387829477 /nfs/dbraw/zinc/82/94/77/387829477.db2.gz YFLJVJHNPTWCID-TUAOUCFPSA-N 1 3 228.380 1.499 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423007664 387829793 /nfs/dbraw/zinc/82/97/93/387829793.db2.gz YFLJVJHNPTWCID-SRVKXCTJSA-N 1 3 228.380 1.499 20 0 BDADHO CCOCCC1(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000423005782 387829804 /nfs/dbraw/zinc/82/98/04/387829804.db2.gz STLHZIDUAAQMNU-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO Cc1cnccc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423009337 387831899 /nfs/dbraw/zinc/83/18/99/387831899.db2.gz CSOYRVVJFJFOFA-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCN(C)c1ccccc1 ZINC000442765894 387835609 /nfs/dbraw/zinc/83/56/09/387835609.db2.gz KATQLMUJOFGHAI-UONOGXRCSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765894 387835613 /nfs/dbraw/zinc/83/56/13/387835613.db2.gz KATQLMUJOFGHAI-UONOGXRCSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCN(C)c1ccccc1 ZINC000442765894 387835617 /nfs/dbraw/zinc/83/56/17/387835617.db2.gz KATQLMUJOFGHAI-UONOGXRCSA-N 1 3 247.386 1.792 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423019597 387840256 /nfs/dbraw/zinc/84/02/56/387840256.db2.gz WHPYLOQYZPCPDV-AAVRWANBSA-N 1 3 240.391 1.909 20 0 BDADHO CC[C@H](CSC)[NH2+][C@@H](C)C[C@H](C)N ZINC000423018493 387840267 /nfs/dbraw/zinc/84/02/67/387840267.db2.gz RFIXSBRTTJGAIV-LPEHRKFASA-N 1 3 204.383 1.843 20 0 BDADHO CC[C@H](CSC)N[C@@H](C)C[C@H](C)[NH3+] ZINC000423018493 387840269 /nfs/dbraw/zinc/84/02/69/387840269.db2.gz RFIXSBRTTJGAIV-LPEHRKFASA-N 1 3 204.383 1.843 20 0 BDADHO C[C@H](C[NH2+]C1CCOCC1)CN1CCCC1 ZINC000062078430 387849872 /nfs/dbraw/zinc/84/98/72/387849872.db2.gz DJUHLLKVRYBSKB-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC[C@H]1CCCO1 ZINC000643459655 387850127 /nfs/dbraw/zinc/85/01/27/387850127.db2.gz LMWZHLLJFVNWNU-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO c1ccc2c(c1)CCC[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000643534340 387852103 /nfs/dbraw/zinc/85/21/03/387852103.db2.gz RYUXYFSFPVFXTL-CAOSSQGBSA-N 1 3 242.366 1.741 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@H]1CCCCO1 ZINC000423042898 387855493 /nfs/dbraw/zinc/85/54/93/387855493.db2.gz MPDLCNNFOHUOAG-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000423047939 387857428 /nfs/dbraw/zinc/85/74/28/387857428.db2.gz HTWVNQWGECMEQF-CDGCEXEKSA-N 1 3 240.391 1.907 20 0 BDADHO CCSCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193623298 387859348 /nfs/dbraw/zinc/85/93/48/387859348.db2.gz CCJANKOXFRSYAS-PHIMTYICSA-N 1 3 214.378 1.233 20 0 BDADHO CCSCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193623298 387859350 /nfs/dbraw/zinc/85/93/50/387859350.db2.gz CCJANKOXFRSYAS-PHIMTYICSA-N 1 3 214.378 1.233 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423053180 387859733 /nfs/dbraw/zinc/85/97/33/387859733.db2.gz RGKBWHHBNPCOME-IWSPIJDZSA-N 1 3 224.270 1.902 20 0 BDADHO C[C@H](CCC[NH3+])N[C@@H]1COc2ccc(F)cc21 ZINC000423054364 387860439 /nfs/dbraw/zinc/86/04/39/387860439.db2.gz UQBXIEIXGUZZOX-BXKDBHETSA-N 1 3 238.306 1.976 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1ccncc1 ZINC000643460369 387874385 /nfs/dbraw/zinc/87/43/85/387874385.db2.gz WIPJVWSZUGCAER-XBFCOCLRSA-N 1 3 233.359 1.902 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423054706 387862117 /nfs/dbraw/zinc/86/21/17/387862117.db2.gz CCFVKDALUDVPNU-YHQUGGNUSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](CO)Cc1ccccc1 ZINC000423056783 387862522 /nfs/dbraw/zinc/86/25/22/387862522.db2.gz GGZRUESVYYMBOJ-DYEKYZERSA-N 1 3 236.359 1.305 20 0 BDADHO CN(C)Cc1ccccc1C(=O)NCC[NH+](C)C ZINC000433120056 387866287 /nfs/dbraw/zinc/86/62/87/387866287.db2.gz IMBDYGDVUAOFOI-UHFFFAOYSA-N 1 3 249.358 1.040 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236176037 387874725 /nfs/dbraw/zinc/87/47/25/387874725.db2.gz XOZRTNPTHUQSGS-ZFWWWQNUSA-N 1 3 230.355 1.871 20 0 BDADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066580 387869834 /nfs/dbraw/zinc/86/98/34/387869834.db2.gz XHTWBXCQJCOSIP-NAWOPXAZSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(CO)cc1 ZINC000643478210 387814712 /nfs/dbraw/zinc/81/47/12/387814712.db2.gz FENOVRZHKWHHGT-VXGBXAGGSA-N 1 3 236.359 1.437 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000643478210 387814718 /nfs/dbraw/zinc/81/47/18/387814718.db2.gz FENOVRZHKWHHGT-VXGBXAGGSA-N 1 3 236.359 1.437 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(CO)cc1 ZINC000643478208 387815493 /nfs/dbraw/zinc/81/54/93/387815493.db2.gz FENOVRZHKWHHGT-NWDGAFQWSA-N 1 3 236.359 1.437 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(CO)cc1 ZINC000643478208 387815497 /nfs/dbraw/zinc/81/54/97/387815497.db2.gz FENOVRZHKWHHGT-NWDGAFQWSA-N 1 3 236.359 1.437 20 0 BDADHO CC(C)SCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423104541 387890062 /nfs/dbraw/zinc/89/00/62/387890062.db2.gz HDYQUCHWUFYREU-ZJUUUORDSA-N 1 3 204.383 1.843 20 0 BDADHO N[C@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106964 387891198 /nfs/dbraw/zinc/89/11/98/387891198.db2.gz KCLPLUZRKUMGRI-QEYWKRMJSA-N 1 3 218.291 1.890 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CC=CCC1 ZINC000423106242 387891404 /nfs/dbraw/zinc/89/14/04/387891404.db2.gz ZLHXKHAPJRRQPY-KBPBESRZSA-N 1 3 237.391 1.226 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423108417 387892636 /nfs/dbraw/zinc/89/26/36/387892636.db2.gz MDGQSNCNFDWQMA-RQJABVFESA-N 1 3 240.391 1.766 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc2c[nH]nc2c1 ZINC000423110102 387893258 /nfs/dbraw/zinc/89/32/58/387893258.db2.gz ULVNKMCNVAGXRL-WDEREUQCSA-N 1 3 246.358 1.821 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423080331 387876307 /nfs/dbraw/zinc/87/63/07/387876307.db2.gz AAHXKGZGNUVVKJ-QCNOEVLYSA-N 1 3 240.347 1.045 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423080331 387876310 /nfs/dbraw/zinc/87/63/10/387876310.db2.gz AAHXKGZGNUVVKJ-QCNOEVLYSA-N 1 3 240.347 1.045 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000423079560 387877140 /nfs/dbraw/zinc/87/71/40/387877140.db2.gz QYETXZDYDSRIDL-MCIONIFRSA-N 1 3 240.391 1.787 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H](CO)Cc1ccccc1 ZINC000236218412 387878688 /nfs/dbraw/zinc/87/86/88/387878688.db2.gz AFJDUXITULVNIY-SOUVJXGZSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000236218412 387878693 /nfs/dbraw/zinc/87/86/93/387878693.db2.gz AFJDUXITULVNIY-SOUVJXGZSA-N 1 3 248.370 1.307 20 0 BDADHO CCSCCC[NH2+][C@H](C)C[C@H](C)N ZINC000423117670 387899041 /nfs/dbraw/zinc/89/90/41/387899041.db2.gz WOOCVJSBNHTDEG-VHSXEESVSA-N 1 3 204.383 1.845 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H]1N ZINC000423084030 387878991 /nfs/dbraw/zinc/87/89/91/387878991.db2.gz HABBINULQZYILW-WOPDTQHZSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H](NC[C@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423088989 387880333 /nfs/dbraw/zinc/88/03/33/387880333.db2.gz UCTBKQQUKXKCMU-IJLUTSLNSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](N[C@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093821 387885574 /nfs/dbraw/zinc/88/55/74/387885574.db2.gz INTOZAAKNCDXLN-JQWIXIFHSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)C1CNC1 ZINC000423093821 387885578 /nfs/dbraw/zinc/88/55/78/387885578.db2.gz INTOZAAKNCDXLN-JQWIXIFHSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)(C)CC[C@H](CO)N[C@H]1CCC[NH2+]CC1 ZINC000423098254 387886603 /nfs/dbraw/zinc/88/66/03/387886603.db2.gz RVITVZQOCQDMEN-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CCCNCC1 ZINC000423098254 387886604 /nfs/dbraw/zinc/88/66/04/387886604.db2.gz RVITVZQOCQDMEN-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO C1=CCN(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423098854 387886847 /nfs/dbraw/zinc/88/68/47/387886847.db2.gz SRPDWDMSBPPZTC-PBWFPOADSA-N 1 3 235.375 1.121 20 0 BDADHO CCC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])OC ZINC000423142409 387918559 /nfs/dbraw/zinc/91/85/59/387918559.db2.gz AKBGJVLDILINTR-GARJFASQSA-N 1 3 202.342 1.517 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@H](F)C1 ZINC000423120283 387901713 /nfs/dbraw/zinc/90/17/13/387901713.db2.gz GRQDVQFSFGNJHN-RCWTZXSCSA-N 1 3 200.301 1.465 20 0 BDADHO CCC[C@H](C)C(=O)NCCN[C@H](C)C[C@H](C)[NH3+] ZINC000423124692 387902342 /nfs/dbraw/zinc/90/23/42/387902342.db2.gz GZXSWHWPLDECNH-SDDRHHMPSA-N 1 3 243.395 1.254 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423123698 387903373 /nfs/dbraw/zinc/90/33/73/387903373.db2.gz LQJXPXDUDNZSKH-MNOVXSKESA-N 1 3 214.328 1.986 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423124766 387903609 /nfs/dbraw/zinc/90/36/09/387903609.db2.gz PBLHHJREWYEKDL-GHMZBOCLSA-N 1 3 216.369 1.765 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1cn[nH]c1 ZINC000423126616 387904399 /nfs/dbraw/zinc/90/43/99/387904399.db2.gz RYLVSZLXHAZGLU-NEPJUHHUSA-N 1 3 222.336 1.202 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1COc2ccccc21 ZINC000423129612 387907143 /nfs/dbraw/zinc/90/71/43/387907143.db2.gz XGJSLCAZMGDVPJ-TUAOUCFPSA-N 1 3 234.343 1.878 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1COc2ccccc21 ZINC000423129612 387907148 /nfs/dbraw/zinc/90/71/48/387907148.db2.gz XGJSLCAZMGDVPJ-TUAOUCFPSA-N 1 3 234.343 1.878 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423132816 387909674 /nfs/dbraw/zinc/90/96/74/387909674.db2.gz UYZSOUWVLIZPTE-VLEAKVRGSA-N 1 3 200.301 1.594 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H]2CN)CCC1 ZINC000423135615 387913167 /nfs/dbraw/zinc/91/31/67/387913167.db2.gz OBJGBPXBAGJQAM-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO CC[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423135758 387914033 /nfs/dbraw/zinc/91/40/33/387914033.db2.gz GMHWHMABMWUBOK-WOPDTQHZSA-N 1 3 214.353 1.661 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H](C)C[C@H](C)[NH3+] ZINC000423153013 387931511 /nfs/dbraw/zinc/93/15/11/387931511.db2.gz MSKRHXHKTABGAT-UKKRHICBSA-N 1 3 200.326 1.269 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NC[C@H]1CCCO1 ZINC000423152801 387932731 /nfs/dbraw/zinc/93/27/31/387932731.db2.gz FQVQUWJJORXZPC-GRYCIOLGSA-N 1 3 212.337 1.415 20 0 BDADHO Cc1cccnc1CCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423155101 387934987 /nfs/dbraw/zinc/93/49/87/387934987.db2.gz PXUCBZRGBXGWLQ-TZMCWYRMSA-N 1 3 233.359 1.792 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423154841 387935332 /nfs/dbraw/zinc/93/53/32/387935332.db2.gz KDEIHARKUHFWGZ-NOOOWODRSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[C@H]1O ZINC000423154841 387935334 /nfs/dbraw/zinc/93/53/34/387935334.db2.gz KDEIHARKUHFWGZ-NOOOWODRSA-N 1 3 214.353 1.253 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCC1(F)F ZINC000423154931 387935415 /nfs/dbraw/zinc/93/54/15/387935415.db2.gz PPYXYFNQDCPBGO-OPRDCNLKSA-N 1 3 218.291 1.891 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(CO)CCC1 ZINC000643480603 387935975 /nfs/dbraw/zinc/93/59/75/387935975.db2.gz FMTMABVEGOUUDD-NWDGAFQWSA-N 1 3 226.364 1.399 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)Cc1ccccc1 ZINC000423157270 387936140 /nfs/dbraw/zinc/93/61/40/387936140.db2.gz MJIFIOZBRMPQDZ-SOUVJXGZSA-N 1 3 248.370 1.714 20 0 BDADHO CC/C=C\CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423157328 387936183 /nfs/dbraw/zinc/93/61/83/387936183.db2.gz MORANAVIZTXPDF-HUZDROCFSA-N 1 3 238.375 1.699 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423163832 387922674 /nfs/dbraw/zinc/92/26/74/387922674.db2.gz NOLWXUKMZJZUCV-WUHRBBMRSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1=CCCCC1 ZINC000423148501 387925859 /nfs/dbraw/zinc/92/58/59/387925859.db2.gz VMYDBBNGXBLOLY-IACUBPJLSA-N 1 3 238.375 1.829 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCCC1CCOCC1 ZINC000423148567 387927491 /nfs/dbraw/zinc/92/74/91/387927491.db2.gz VYXOZUMWQCGOMV-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000423148566 387927896 /nfs/dbraw/zinc/92/78/96/387927896.db2.gz VYXOZUMWQCGOMV-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423168117 387952385 /nfs/dbraw/zinc/95/23/85/387952385.db2.gz GSZUAXDHCUFGQU-RKQHYHRCSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423168117 387952386 /nfs/dbraw/zinc/95/23/86/387952386.db2.gz GSZUAXDHCUFGQU-RKQHYHRCSA-N 1 3 240.391 1.763 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCC1 ZINC000423169892 387955641 /nfs/dbraw/zinc/95/56/41/387955641.db2.gz WVRXKOSMDHNEGB-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO COCC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000423159200 387939420 /nfs/dbraw/zinc/93/94/20/387939420.db2.gz FNHHQINCZBUGCE-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423160618 387940885 /nfs/dbraw/zinc/94/08/85/387940885.db2.gz ZWXHTINHIVUJIL-QSLWVIQJSA-N 1 3 240.391 1.620 20 0 BDADHO CCCc1ncc(CN[C@H](C)CCC[NH3+])o1 ZINC000423163896 387941492 /nfs/dbraw/zinc/94/14/92/387941492.db2.gz RPTALYRKIAJASJ-SNVBAGLBSA-N 1 3 225.336 1.844 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000423160493 387942129 /nfs/dbraw/zinc/94/21/29/387942129.db2.gz HLZRYGDGBXNRJV-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423160493 387942130 /nfs/dbraw/zinc/94/21/30/387942130.db2.gz HLZRYGDGBXNRJV-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162568 387943827 /nfs/dbraw/zinc/94/38/27/387943827.db2.gz PXACBHLEDNYSOX-SOCRKWRCSA-N 1 3 238.375 1.673 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423162088 387943956 /nfs/dbraw/zinc/94/39/56/387943956.db2.gz KHLBDTMVCWBFDD-MROQNXINSA-N 1 3 226.364 1.255 20 0 BDADHO CC[C@H](NC[C@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163147 387946549 /nfs/dbraw/zinc/94/65/49/387946549.db2.gz VATZJBUPTDIXQL-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CCCO)[C@@H]1CCCN1 ZINC000423163147 387946555 /nfs/dbraw/zinc/94/65/55/387946555.db2.gz VATZJBUPTDIXQL-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)cn1 ZINC000392255636 387947030 /nfs/dbraw/zinc/94/70/30/387947030.db2.gz XNLNEQZHGCZSSV-UHFFFAOYSA-N 1 3 247.342 1.442 20 0 BDADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)cn1 ZINC000392255636 387947035 /nfs/dbraw/zinc/94/70/35/387947035.db2.gz XNLNEQZHGCZSSV-UHFFFAOYSA-N 1 3 247.342 1.442 20 0 BDADHO Cc1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)nc1 ZINC000423165764 387948801 /nfs/dbraw/zinc/94/88/01/387948801.db2.gz QHEJUOSMWYLQDF-DZGCQCFKSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)nc1 ZINC000423165764 387948802 /nfs/dbraw/zinc/94/88/02/387948802.db2.gz QHEJUOSMWYLQDF-DZGCQCFKSA-N 1 3 247.386 1.910 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C12CCC2 ZINC000423170297 387958011 /nfs/dbraw/zinc/95/80/11/387958011.db2.gz LOERFLUXBFCNFU-NOOOWODRSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C12CCC2 ZINC000423170297 387958017 /nfs/dbraw/zinc/95/80/17/387958017.db2.gz LOERFLUXBFCNFU-NOOOWODRSA-N 1 3 226.364 1.659 20 0 BDADHO COCC1CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000423177368 387964531 /nfs/dbraw/zinc/96/45/31/387964531.db2.gz HIXJATIUQKUFDE-ZFDZMSFRSA-N 1 3 228.380 1.907 20 0 BDADHO CC[N@H+](CC[C@H]1CCCN1C)C[C@H]1CCCO1 ZINC000245597163 387964618 /nfs/dbraw/zinc/96/46/18/387964618.db2.gz HTLFEPKSNCURGM-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@@H+](CC[C@H]1CCCN1C)C[C@H]1CCCO1 ZINC000245597163 387964620 /nfs/dbraw/zinc/96/46/20/387964620.db2.gz HTLFEPKSNCURGM-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CCOC[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000423178712 387964677 /nfs/dbraw/zinc/96/46/77/387964677.db2.gz GLSIEARRKQVNDS-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(N)CCCCC2)C1 ZINC000423179879 387966708 /nfs/dbraw/zinc/96/67/08/387966708.db2.gz MRUGVSCJBKOMFX-OLZOCXBDSA-N 1 3 239.407 1.578 20 0 BDADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCN ZINC000423181088 387967926 /nfs/dbraw/zinc/96/79/26/387967926.db2.gz FJCLCNIDTUYXGC-GHMZBOCLSA-N 1 3 200.326 1.130 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)[C@H](C)O1 ZINC000423182298 387968077 /nfs/dbraw/zinc/96/80/77/387968077.db2.gz LKQZNOZQHHJJKU-XVIXHAIJSA-N 1 3 240.391 1.907 20 0 BDADHO NCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423197444 387981269 /nfs/dbraw/zinc/98/12/69/387981269.db2.gz ZMAJTZPXRKGWPD-FRRDWIJNSA-N 1 3 226.364 1.520 20 0 BDADHO CC1(C)[C@H](NCC[NH3+])C[C@H]1OCc1ccccc1 ZINC000423189223 387972838 /nfs/dbraw/zinc/97/28/38/387972838.db2.gz QPDCNXZGSJZGQZ-ZIAGYGMSSA-N 1 3 248.370 1.919 20 0 BDADHO CCn1ccnc1[C@H](C)NCCCC[NH+](C)C ZINC000453089207 387981689 /nfs/dbraw/zinc/98/16/89/387981689.db2.gz NODLMHSJVDXXLT-LBPRGKRZSA-N 1 3 238.379 1.895 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191430 387975661 /nfs/dbraw/zinc/97/56/61/387975661.db2.gz SWQIIHLMSRLROL-ARHMULMVSA-N 1 3 226.389 1.753 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423192136 387977450 /nfs/dbraw/zinc/97/74/50/387977450.db2.gz PNQPUFPZAPUQDI-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423202603 387987634 /nfs/dbraw/zinc/98/76/34/387987634.db2.gz BCUPMWWTDATXNN-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO C[NH2+]CCCN[C@@H](COC)C1CCCC1 ZINC000423205972 387992204 /nfs/dbraw/zinc/99/22/04/387992204.db2.gz WNLFIODKLCRVLK-LBPRGKRZSA-N 1 3 214.353 1.391 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423207668 387994051 /nfs/dbraw/zinc/99/40/51/387994051.db2.gz YBQUCFOCKPCBAX-IJLUTSLNSA-N 1 3 226.364 1.389 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423207668 387994053 /nfs/dbraw/zinc/99/40/53/387994053.db2.gz YBQUCFOCKPCBAX-IJLUTSLNSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369507 387995311 /nfs/dbraw/zinc/99/53/11/387995311.db2.gz BYDGTEHHMBCFQY-FRVYIDGWSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000423215792 387997094 /nfs/dbraw/zinc/99/70/94/387997094.db2.gz NNLDFNWZDYEMHZ-KVSVUVNWSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCNC1 ZINC000423215792 387997099 /nfs/dbraw/zinc/99/70/99/387997099.db2.gz NNLDFNWZDYEMHZ-KVSVUVNWSA-N 1 3 226.364 1.530 20 0 BDADHO C1CC1[C@@H]([NH2+][C@@H]1CCNC1)C1CCCC1 ZINC000423213462 387998023 /nfs/dbraw/zinc/99/80/23/387998023.db2.gz LHQJLXAMYMAXEO-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218917 387999163 /nfs/dbraw/zinc/99/91/63/387999163.db2.gz SLHXWTJDRBKJCK-QCNOEVLYSA-N 1 3 214.353 1.388 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423218917 387999164 /nfs/dbraw/zinc/99/91/64/387999164.db2.gz SLHXWTJDRBKJCK-QCNOEVLYSA-N 1 3 214.353 1.388 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423218663 388000291 /nfs/dbraw/zinc/00/02/91/388000291.db2.gz SFGPWMJKNDVCMX-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424372562 387996614 /nfs/dbraw/zinc/99/66/14/387996614.db2.gz WTDIYZOWKFLWFI-IJLUTSLNSA-N 1 3 222.336 1.131 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H](N)c1ccccc1 ZINC000423232320 388016753 /nfs/dbraw/zinc/01/67/53/388016753.db2.gz BWNKOHWGOWEWIM-YUELXQCFSA-N 1 3 247.386 1.616 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](N)c1ccccc1 ZINC000423238394 388022202 /nfs/dbraw/zinc/02/22/02/388022202.db2.gz ADEASRPINKRBQP-MRVWCRGKSA-N 1 3 233.359 1.274 20 0 BDADHO C[NH2+]CCNC1CCC(COC)CC1 ZINC000423250586 388032808 /nfs/dbraw/zinc/03/28/08/388032808.db2.gz UPYNUQAIWRLHNV-UHFFFAOYSA-N 1 3 200.326 1.001 20 0 BDADHO N[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423254824 388037657 /nfs/dbraw/zinc/03/76/57/388037657.db2.gz ZPQPPKLTCIMIQG-XQQFMLRXSA-N 1 3 219.332 1.156 20 0 BDADHO CC(C)C[C@@H](CN)[NH2+]C1CCN(C2CC2)CC1 ZINC000423259337 388038321 /nfs/dbraw/zinc/03/83/21/388038321.db2.gz DLUJRIKHGLTIDG-ZDUSSCGKSA-N 1 3 239.407 1.576 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H](COC)C1CCCC1 ZINC000423269937 388026876 /nfs/dbraw/zinc/02/68/76/388026876.db2.gz HKALGWFXLHNUSM-DGCLKSJQSA-N 1 3 228.380 1.637 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H](COC)C1CCCC1 ZINC000423269937 388026880 /nfs/dbraw/zinc/02/68/80/388026880.db2.gz HKALGWFXLHNUSM-DGCLKSJQSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H](NC[C@H](N)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244545 388027939 /nfs/dbraw/zinc/02/79/39/388027939.db2.gz HRSQNVZJZVXTPU-AEGPPILISA-N 1 3 247.386 1.807 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCCN1)[C@H]1CCOC1 ZINC000423245035 388029003 /nfs/dbraw/zinc/02/90/03/388029003.db2.gz YAROSUBSCYKAJP-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@@H](NC[C@@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249308 388031563 /nfs/dbraw/zinc/03/15/63/388031563.db2.gz OPFZOBFNLSCNRV-KFWWJZLASA-N 1 3 247.386 1.807 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000423284670 388067222 /nfs/dbraw/zinc/06/72/22/388067222.db2.gz YRGKTKIMAMHYRH-QWRGUYRKSA-N 1 3 214.353 1.247 20 0 BDADHO CC[C@@H](Cn1cncn1)NCC([NH3+])(CC)CC ZINC000423288078 388073494 /nfs/dbraw/zinc/07/34/94/388073494.db2.gz QKHOWFLZLBVNIR-NSHDSACASA-N 1 3 239.367 1.164 20 0 BDADHO CC[C@@H](Cn1cncn1)[NH2+]CC(N)(CC)CC ZINC000423288078 388073499 /nfs/dbraw/zinc/07/34/99/388073499.db2.gz QKHOWFLZLBVNIR-NSHDSACASA-N 1 3 239.367 1.164 20 0 BDADHO Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000084221739 388074593 /nfs/dbraw/zinc/07/45/93/388074593.db2.gz VCKJGWHCNOEEHO-STQMWFEESA-N 1 3 219.332 1.607 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000084219958 388075214 /nfs/dbraw/zinc/07/52/14/388075214.db2.gz UQTVXDPTYXYGTN-STQMWFEESA-N 1 3 219.332 1.341 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000084219955 388075293 /nfs/dbraw/zinc/07/52/93/388075293.db2.gz UQTVXDPTYXYGTN-QWHCGFSZSA-N 1 3 219.332 1.341 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000423291388 388075469 /nfs/dbraw/zinc/07/54/69/388075469.db2.gz ICRMPNPMWLPBRR-GARJFASQSA-N 1 3 214.353 1.659 20 0 BDADHO Cc1n[nH]cc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216285 388075650 /nfs/dbraw/zinc/07/56/50/388075650.db2.gz NHXSBEBKGKTSDZ-ZYHUDNBSSA-N 1 3 222.336 1.325 20 0 BDADHO COc1cccc2c1CC[C@@H]2NC[C@@H](C)C[NH3+] ZINC000423297296 388078569 /nfs/dbraw/zinc/07/85/69/388078569.db2.gz JRKCQDAVKVCULF-GWCFXTLKSA-N 1 3 234.343 1.867 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000447584670 388081206 /nfs/dbraw/zinc/08/12/06/388081206.db2.gz GPPPMNJJMCTWBZ-RKFYDKJMSA-N 1 3 237.391 1.151 20 0 BDADHO Cc1c[nH]nc1CNCCCC[N@@H+](C)C1CC1 ZINC000453602530 388090984 /nfs/dbraw/zinc/09/09/84/388090984.db2.gz WNZOAVCQNLHKDG-UHFFFAOYSA-N 1 3 236.363 1.682 20 0 BDADHO Cc1c[nH]nc1CNCCCC[N@H+](C)C1CC1 ZINC000453602530 388090985 /nfs/dbraw/zinc/09/09/85/388090985.db2.gz WNZOAVCQNLHKDG-UHFFFAOYSA-N 1 3 236.363 1.682 20 0 BDADHO CCCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000336661405 388103944 /nfs/dbraw/zinc/10/39/44/388103944.db2.gz JYSYGKRGQFUYRP-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H](Cn1cncn1)N[C@@H](C[NH3+])CC(C)C ZINC000423267520 388045785 /nfs/dbraw/zinc/04/57/85/388045785.db2.gz TWHVZEMSLOQNRH-VXGBXAGGSA-N 1 3 239.367 1.020 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1CCc2ccccc2OC1 ZINC000423270717 388049060 /nfs/dbraw/zinc/04/90/60/388049060.db2.gz IFVZBQACWNVPPJ-GXTWGEPZSA-N 1 3 248.370 1.825 20 0 BDADHO CCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103790 388142975 /nfs/dbraw/zinc/14/29/75/388142975.db2.gz OTHIATUDXNSPEH-UHFFFAOYSA-N 1 3 226.364 1.583 20 0 BDADHO CC[N@@H+]1CC[C@H](NCC2=CCOCC2)[C@@H](C)C1 ZINC000449402677 388195276 /nfs/dbraw/zinc/19/52/76/388195276.db2.gz MOBHNKIDYYSXRD-JSGCOSHPSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@H](NCC2=CCOCC2)[C@@H](C)C1 ZINC000449402677 388195278 /nfs/dbraw/zinc/19/52/78/388195278.db2.gz MOBHNKIDYYSXRD-JSGCOSHPSA-N 1 3 238.375 1.653 20 0 BDADHO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCCNCC1 ZINC000313106221 256537473 /nfs/dbraw/zinc/53/74/73/256537473.db2.gz XPMLWVKRLOQLHI-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@@H]1CCC[NH2+]CC1 ZINC000313106221 256537476 /nfs/dbraw/zinc/53/74/76/256537476.db2.gz XPMLWVKRLOQLHI-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000449574039 388236141 /nfs/dbraw/zinc/23/61/41/388236141.db2.gz VGLWZLWOUDXBMN-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](C[NH2+]C/C=C/c1ccncc1)CN(C)C ZINC000491597212 388304854 /nfs/dbraw/zinc/30/48/54/388304854.db2.gz SHBFLHBNTHGQME-MUBLQREKSA-N 1 3 233.359 1.882 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000164455429 388378668 /nfs/dbraw/zinc/37/86/68/388378668.db2.gz MFIBJVDGBHCERW-XWLWVQCSSA-N 1 3 200.326 1.005 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000164455429 388378672 /nfs/dbraw/zinc/37/86/72/388378672.db2.gz MFIBJVDGBHCERW-XWLWVQCSSA-N 1 3 200.326 1.005 20 0 BDADHO CC[N@H+](CCc1cccs1)C[C@@H](C)N ZINC000261535957 135170543 /nfs/dbraw/zinc/17/05/43/135170543.db2.gz PUXXKEMNIBUNQQ-SNVBAGLBSA-N 1 3 212.362 1.960 20 0 BDADHO CC[N@@H+](CCc1cccs1)C[C@@H](C)N ZINC000261535957 135170545 /nfs/dbraw/zinc/17/05/45/135170545.db2.gz PUXXKEMNIBUNQQ-SNVBAGLBSA-N 1 3 212.362 1.960 20 0 BDADHO NCc1cccc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000646579537 388388211 /nfs/dbraw/zinc/38/82/11/388388211.db2.gz ZKQZRGTUZNGRBO-UHFFFAOYSA-N 1 3 233.315 1.355 20 0 BDADHO CC[C@@H]([NH2+]CCOCCN(C)C)C1CCC1 ZINC000322862469 388449506 /nfs/dbraw/zinc/44/95/06/388449506.db2.gz UMCSJJYGOIDFQE-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO COCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397350027 388460962 /nfs/dbraw/zinc/46/09/62/388460962.db2.gz ZQSUFYQGTVFYBI-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO COCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397350027 388460963 /nfs/dbraw/zinc/46/09/63/388460963.db2.gz ZQSUFYQGTVFYBI-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO COCCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397350027 388460964 /nfs/dbraw/zinc/46/09/64/388460964.db2.gz ZQSUFYQGTVFYBI-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO CCOCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397394555 388465557 /nfs/dbraw/zinc/46/55/57/388465557.db2.gz OVLFZJNQYLEEOW-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397394555 388465561 /nfs/dbraw/zinc/46/55/61/388465561.db2.gz OVLFZJNQYLEEOW-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397394555 388465563 /nfs/dbraw/zinc/46/55/63/388465563.db2.gz OVLFZJNQYLEEOW-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc2cccnc21 ZINC000336727732 388469551 /nfs/dbraw/zinc/46/95/51/388469551.db2.gz WECQTNCMUPHJBU-NSHDSACASA-N 1 3 229.327 1.919 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC2CCOCC2)C[C@H]1CN ZINC000397486141 388474493 /nfs/dbraw/zinc/47/44/93/388474493.db2.gz UZXYSUQWDZDFKS-MBNYWOFBSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCOCC2)C[C@H]1CN ZINC000397486141 388474494 /nfs/dbraw/zinc/47/44/94/388474494.db2.gz UZXYSUQWDZDFKS-MBNYWOFBSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)[C@H](C(=O)Nc1cccc(C[NH3+])c1)N(C)C ZINC000649268447 388478730 /nfs/dbraw/zinc/47/87/30/388478730.db2.gz GUIFXTIFFONFJJ-CYBMUJFWSA-N 1 3 249.358 1.670 20 0 BDADHO Cc1cnccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000296603792 388425221 /nfs/dbraw/zinc/42/52/21/388425221.db2.gz YRRBMDDBZCTCNG-CYBMUJFWSA-N 1 3 245.370 1.964 20 0 BDADHO CCN1CC[C@H]([NH2+]CCN2CCCC2)[C@H](C)C1 ZINC000178308642 388498471 /nfs/dbraw/zinc/49/84/71/388498471.db2.gz VRHPDRLFQSSWEN-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCN2CCCC2)[C@H](C)C1 ZINC000178308642 388498472 /nfs/dbraw/zinc/49/84/72/388498472.db2.gz VRHPDRLFQSSWEN-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@H+]1CC[C@H](NCCN2CCCC2)[C@H](C)C1 ZINC000178308642 388498474 /nfs/dbraw/zinc/49/84/74/388498474.db2.gz VRHPDRLFQSSWEN-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO CCOC[C@H](C)NCCC[NH2+]C(C)C ZINC000516642929 388512883 /nfs/dbraw/zinc/51/28/83/388512883.db2.gz DBHNKKXGVNOEBN-NSHDSACASA-N 1 3 202.342 1.389 20 0 BDADHO CO[C@H](CN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379221206 388599799 /nfs/dbraw/zinc/59/97/99/388599799.db2.gz PVBSCTATORFXQW-GXTWGEPZSA-N 1 3 234.343 1.655 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCOC1 ZINC000356836052 388551053 /nfs/dbraw/zinc/55/10/53/388551053.db2.gz CUSSNQJIFBRIOY-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(CCCCCO)C1 ZINC000081573043 388584554 /nfs/dbraw/zinc/58/45/54/388584554.db2.gz STASNNWNMKPHSB-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCCCO)C1 ZINC000081573043 388584556 /nfs/dbraw/zinc/58/45/56/388584556.db2.gz STASNNWNMKPHSB-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000081573043 388584557 /nfs/dbraw/zinc/58/45/57/388584557.db2.gz STASNNWNMKPHSB-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCCCO)C1 ZINC000081573043 388584560 /nfs/dbraw/zinc/58/45/60/388584560.db2.gz STASNNWNMKPHSB-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1CO ZINC000521609706 388619417 /nfs/dbraw/zinc/61/94/17/388619417.db2.gz IJVXIFZYRBGXMP-FZMZJTMJSA-N 1 3 234.343 1.396 20 0 BDADHO CN1CCN(CCC[NH+]2CCCC2)CC1(C)C ZINC000551040559 388620681 /nfs/dbraw/zinc/62/06/81/388620681.db2.gz MGVODINOFDTAPK-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000530179946 388622771 /nfs/dbraw/zinc/62/27/71/388622771.db2.gz ZAEJYUAEVZIECD-DYEKYZERSA-N 1 3 249.402 1.486 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000139060546 388624746 /nfs/dbraw/zinc/62/47/46/388624746.db2.gz FYYXIQVNTHLKKT-CYBMUJFWSA-N 1 3 238.379 1.593 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222582 388632802 /nfs/dbraw/zinc/63/28/02/388632802.db2.gz RQPFRAJBCMKQCO-CMOBGSAGSA-N 1 3 224.348 1.273 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222585 388632893 /nfs/dbraw/zinc/63/28/93/388632893.db2.gz RQPFRAJBCMKQCO-ZFQMDJOTSA-N 1 3 224.348 1.273 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCOC1 ZINC000530224239 388634654 /nfs/dbraw/zinc/63/46/54/388634654.db2.gz VRERNHRQMRZOTQ-AGIUHOORSA-N 1 3 238.375 1.676 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000224437060 388663930 /nfs/dbraw/zinc/66/39/30/388663930.db2.gz JKSPJOMOMDJICK-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@H](COC)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224437060 388663931 /nfs/dbraw/zinc/66/39/31/388663931.db2.gz JKSPJOMOMDJICK-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNCC2=CCCOC2)C1 ZINC000124651972 388664739 /nfs/dbraw/zinc/66/47/39/388664739.db2.gz MEOFFLNNGNWDSZ-LBPRGKRZSA-N 1 3 224.348 1.265 20 0 BDADHO CC[N@H+]1CC[C@@H](CNCC2=CCCOC2)C1 ZINC000124651972 388664742 /nfs/dbraw/zinc/66/47/42/388664742.db2.gz MEOFFLNNGNWDSZ-LBPRGKRZSA-N 1 3 224.348 1.265 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124651972 388664745 /nfs/dbraw/zinc/66/47/45/388664745.db2.gz MEOFFLNNGNWDSZ-LBPRGKRZSA-N 1 3 224.348 1.265 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@](C)(N)CCC ZINC000262615217 135308486 /nfs/dbraw/zinc/30/84/86/135308486.db2.gz XWTKFGVSCOWVDX-ZYHUDNBSSA-N 1 3 229.368 1.138 20 0 BDADHO C[C@@H](CN(C)C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542942 388752450 /nfs/dbraw/zinc/75/24/50/388752450.db2.gz CAGDPJHWDCHYHU-ZLKJLUDKSA-N 1 3 233.359 1.671 20 0 BDADHO C[N@H+](C[C@@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000226447312 388719390 /nfs/dbraw/zinc/71/93/90/388719390.db2.gz AULVOYLFWMYDLB-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[N@@H+](C[C@@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000226447312 388719391 /nfs/dbraw/zinc/71/93/91/388719391.db2.gz AULVOYLFWMYDLB-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO FC(F)OCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000194036749 388721409 /nfs/dbraw/zinc/72/14/09/388721409.db2.gz YKICSOKLRNBIDQ-MNOVXSKESA-N 1 3 248.317 1.832 20 0 BDADHO FC(F)OCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000194036749 388721412 /nfs/dbraw/zinc/72/14/12/388721412.db2.gz YKICSOKLRNBIDQ-MNOVXSKESA-N 1 3 248.317 1.832 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253034672 388799674 /nfs/dbraw/zinc/79/96/74/388799674.db2.gz VTIFRUBFSBJSOY-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCc1nccs1 ZINC000252714540 388775665 /nfs/dbraw/zinc/77/56/65/388775665.db2.gz SFHXAKUBPBUYRE-WDEREUQCSA-N 1 3 239.388 1.615 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCc1nccs1 ZINC000252714540 388775667 /nfs/dbraw/zinc/77/56/67/388775667.db2.gz SFHXAKUBPBUYRE-WDEREUQCSA-N 1 3 239.388 1.615 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CCN1C ZINC000129810902 388871680 /nfs/dbraw/zinc/87/16/80/388871680.db2.gz JJAIQDMKPHJXOE-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CCN1C ZINC000129810253 388871719 /nfs/dbraw/zinc/87/17/19/388871719.db2.gz JJAIQDMKPHJXOE-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565226404 388928489 /nfs/dbraw/zinc/92/84/89/388928489.db2.gz KUNMWKTYXSPHSW-BFHYXJOUSA-N 1 3 239.407 1.720 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565226411 388928564 /nfs/dbraw/zinc/92/85/64/388928564.db2.gz KUNMWKTYXSPHSW-MELADBBJSA-N 1 3 239.407 1.720 20 0 BDADHO CC[C@@H](COC)NCCC[NH2+]C(C)C ZINC000565827674 388971331 /nfs/dbraw/zinc/97/13/31/388971331.db2.gz XRTRIRUUHZYJQV-NSHDSACASA-N 1 3 202.342 1.389 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)c1ccncc1)CN(C)C ZINC000293637323 389016111 /nfs/dbraw/zinc/01/61/11/389016111.db2.gz KPNCXOSCIANZHQ-RYUDHWBXSA-N 1 3 221.348 1.930 20 0 BDADHO CN1CC=C(C[NH2+]CC2=CCCOC2)CC1 ZINC000271890523 389026336 /nfs/dbraw/zinc/02/63/36/389026336.db2.gz OMENWLOSIQCZNA-UHFFFAOYSA-N 1 3 222.332 1.185 20 0 BDADHO C(COC1CCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000168753138 533366309 /nfs/dbraw/zinc/36/63/09/533366309.db2.gz JGNPWVOURSJRHB-GFCCVEGCSA-N 1 3 226.364 1.677 20 0 BDADHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000168739763 533368785 /nfs/dbraw/zinc/36/87/85/533368785.db2.gz BDUVJRBPKKCHBC-NEPJUHHUSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@@H](N[C@@H](C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400709342 533495962 /nfs/dbraw/zinc/49/59/62/533495962.db2.gz LWASCNCEWQBUGW-LOWVWBTDSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCCN1 ZINC000400709342 533495967 /nfs/dbraw/zinc/49/59/67/533495967.db2.gz LWASCNCEWQBUGW-LOWVWBTDSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1cnccc1N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368450756 132283540 /nfs/dbraw/zinc/28/35/40/132283540.db2.gz SPJYAWHDVBNCRT-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cnccc1N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368450756 132283541 /nfs/dbraw/zinc/28/35/41/132283541.db2.gz SPJYAWHDVBNCRT-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1c[nH+]ccc1N1CC[C@@H]2CCN(C)[C@@H]2C1 ZINC000368450756 132283542 /nfs/dbraw/zinc/28/35/42/132283542.db2.gz SPJYAWHDVBNCRT-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO C[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000035602156 132338550 /nfs/dbraw/zinc/33/85/50/132338550.db2.gz SBLDSPCSHFGSMJ-LLVKDONJSA-N 1 3 235.331 1.021 20 0 BDADHO Cc1nccn1CC[N@@H+](C)CCN(C)C1CC1 ZINC000351953420 134016367 /nfs/dbraw/zinc/01/63/67/134016367.db2.gz GJSULCAWSGJFCA-UHFFFAOYSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CC[N@H+](C)CCN(C)C1CC1 ZINC000351953420 134016368 /nfs/dbraw/zinc/01/63/68/134016368.db2.gz GJSULCAWSGJFCA-UHFFFAOYSA-N 1 3 236.363 1.218 20 0 BDADHO c1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000168699334 134242723 /nfs/dbraw/zinc/24/27/23/134242723.db2.gz LGSDUXIOGIZAPE-CQSZACIVSA-N 1 3 218.344 1.961 20 0 BDADHO c1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000168699334 134242724 /nfs/dbraw/zinc/24/27/24/134242724.db2.gz LGSDUXIOGIZAPE-CQSZACIVSA-N 1 3 218.344 1.961 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000169077405 134249144 /nfs/dbraw/zinc/24/91/44/134249144.db2.gz HEDDJLBPEWILIN-BBBLOLIVSA-N 1 3 202.367 1.455 20 0 BDADHO CC[C@H](CO)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000169235186 134250109 /nfs/dbraw/zinc/25/01/09/134250109.db2.gz DTQVZKCLGPXXKM-ICCXJUOJSA-N 1 3 220.316 1.492 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000217736947 134250662 /nfs/dbraw/zinc/25/06/62/134250662.db2.gz JAVBHRHMNUEONP-GDLCADMTSA-N 1 3 234.343 1.882 20 0 BDADHO CC[C@@H](C)N(C)CC[NH2+]C1CCN(CC)CC1 ZINC000223096074 134336226 /nfs/dbraw/zinc/33/62/26/134336226.db2.gz PHISBFDRXCTTIZ-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO CC(C)N(C)CCC[NH2+]CC1(C)COC1 ZINC000226329216 134360558 /nfs/dbraw/zinc/36/05/58/134360558.db2.gz KWOGPTFQGDFNKH-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO CCCCOCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000229341083 135011664 /nfs/dbraw/zinc/01/16/64/135011664.db2.gz JUDBVFMRIZMLKY-QWHCGFSZSA-N 1 3 228.380 1.910 20 0 BDADHO CCN(C)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250091024 135049842 /nfs/dbraw/zinc/04/98/42/135049842.db2.gz WTFLSUSSPXSQCJ-BFHYXJOUSA-N 1 3 239.407 1.448 20 0 BDADHO Cn1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250628253 135057510 /nfs/dbraw/zinc/05/75/10/135057510.db2.gz ZMGNWTREFRXLQG-KGLIPLIRSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250628253 135057512 /nfs/dbraw/zinc/05/75/12/135057512.db2.gz ZMGNWTREFRXLQG-KGLIPLIRSA-N 1 3 248.374 1.179 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856229 135057851 /nfs/dbraw/zinc/05/78/51/135057851.db2.gz PIMFVWPUJYBDPW-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856229 135057852 /nfs/dbraw/zinc/05/78/52/135057852.db2.gz PIMFVWPUJYBDPW-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO CN(CCOCC[NH3+])Cc1cccc(Cl)c1 ZINC000086435465 135084264 /nfs/dbraw/zinc/08/42/64/135084264.db2.gz YVZDAJYMUVEQBP-UHFFFAOYSA-N 1 3 242.750 1.747 20 0 BDADHO COC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703248 135098077 /nfs/dbraw/zinc/09/80/77/135098077.db2.gz MDUIJXTUAGIJLC-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703248 135098078 /nfs/dbraw/zinc/09/80/78/135098078.db2.gz MDUIJXTUAGIJLC-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO CS[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252730925 135104063 /nfs/dbraw/zinc/10/40/63/135104063.db2.gz NMKKRVILNCXHMV-UTUOFQBUSA-N 1 3 228.405 1.954 20 0 BDADHO CS[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730925 135104065 /nfs/dbraw/zinc/10/40/65/135104065.db2.gz NMKKRVILNCXHMV-UTUOFQBUSA-N 1 3 228.405 1.954 20 0 BDADHO C[NH2+][C@H](C)Cc1noc(C2CCN(C)CC2)n1 ZINC000258049335 135132329 /nfs/dbraw/zinc/13/23/29/135132329.db2.gz OYWAJTXTVAWUOV-SECBINFHSA-N 1 3 238.335 1.029 20 0 BDADHO Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1N ZINC000258811941 135134729 /nfs/dbraw/zinc/13/47/29/135134729.db2.gz CPAAMCHTHUNDIQ-STQMWFEESA-N 1 3 204.317 1.964 20 0 BDADHO c1cc(CN2CCC3(CC[NH2+]C3)CC2)ccn1 ZINC000257670557 135138772 /nfs/dbraw/zinc/13/87/72/135138772.db2.gz IHWDAIAKVKYHCM-UHFFFAOYSA-N 1 3 231.343 1.657 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000087478941 135144094 /nfs/dbraw/zinc/14/40/94/135144094.db2.gz OEWDKMXAAWOSJK-AAEUAGOBSA-N 1 3 226.364 1.343 20 0 BDADHO C[N@H+](C[C@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261529469 135155491 /nfs/dbraw/zinc/15/54/91/135155491.db2.gz AULVOYLFWMYDLB-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[N@@H+](C[C@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261529469 135155492 /nfs/dbraw/zinc/15/54/92/135155492.db2.gz AULVOYLFWMYDLB-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H](N)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532082 135161547 /nfs/dbraw/zinc/16/15/47/135161547.db2.gz JAQWPZSOUAWLQS-ZWNOBZJWSA-N 1 3 204.317 1.953 20 0 BDADHO C[C@@H](N)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000261532082 135161548 /nfs/dbraw/zinc/16/15/48/135161548.db2.gz JAQWPZSOUAWLQS-ZWNOBZJWSA-N 1 3 204.317 1.953 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCC(F)(F)F ZINC000261532155 135162796 /nfs/dbraw/zinc/16/27/96/135162796.db2.gz JKWSPKVMBCJTKE-MRVPVSSYSA-N 1 3 224.270 1.917 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000261532740 135163180 /nfs/dbraw/zinc/16/31/80/135163180.db2.gz DMCQVHFLWACOOH-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000261534102 135166154 /nfs/dbraw/zinc/16/61/54/135166154.db2.gz NBDJCEAGCSTTJY-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CC1(CN2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000261535665 135170629 /nfs/dbraw/zinc/17/06/29/135170629.db2.gz OYYUQVNZQXIDMZ-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO CCOC[C@H]1CC[N@H+](CC(C)(C)N)C1 ZINC000261536074 135171328 /nfs/dbraw/zinc/17/13/28/135171328.db2.gz QHCDBNJAWAVDCK-JTQLQIEISA-N 1 3 200.326 1.082 20 0 BDADHO CCOC[C@H]1CC[N@@H+](CC(C)(C)N)C1 ZINC000261536074 135171330 /nfs/dbraw/zinc/17/13/30/135171330.db2.gz QHCDBNJAWAVDCK-JTQLQIEISA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)OCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261537853 135175073 /nfs/dbraw/zinc/17/50/73/135175073.db2.gz WLOKXUNHFYPQAR-SRVKXCTJSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](c1ccccn1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544354 135185118 /nfs/dbraw/zinc/18/51/18/135185118.db2.gz DTTFGHRVXBJJHE-XQHKEYJVSA-N 1 3 231.343 1.812 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1 ZINC000084217386 135193051 /nfs/dbraw/zinc/19/30/51/135193051.db2.gz YOKGSJPKNLAOBQ-QWHCGFSZSA-N 1 3 204.317 1.904 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000084218302 135193256 /nfs/dbraw/zinc/19/32/56/135193256.db2.gz KXJORORWEYVVLU-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)(C)CC[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000261554563 135194490 /nfs/dbraw/zinc/19/44/90/135194490.db2.gz OYOPGQGLPOBPMD-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)(C)CC[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000261554563 135194492 /nfs/dbraw/zinc/19/44/92/135194492.db2.gz OYOPGQGLPOBPMD-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCSCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261557878 135198317 /nfs/dbraw/zinc/19/83/17/135198317.db2.gz XTXLFYRUZHDCGQ-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CCSCC[N@H+]1C[C@H]1CCCNC1 ZINC000261557878 135198319 /nfs/dbraw/zinc/19/83/19/135198319.db2.gz XTXLFYRUZHDCGQ-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CCSCCN1C[C@H]1CCC[NH2+]C1 ZINC000261557878 135198321 /nfs/dbraw/zinc/19/83/21/135198321.db2.gz XTXLFYRUZHDCGQ-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO Cc1nn(C)c(C)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261579701 135220455 /nfs/dbraw/zinc/22/04/55/135220455.db2.gz PQOGSUVXDXWWLJ-UBHSHLNASA-N 1 3 248.374 1.206 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000261587641 135228522 /nfs/dbraw/zinc/22/85/22/135228522.db2.gz RWLZTKUCEFFHQC-VOAKCMCISA-N 1 3 226.364 1.255 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@H]1O)CC(C)(C)N ZINC000261589083 135230407 /nfs/dbraw/zinc/23/04/07/135230407.db2.gz SXELNQSYVOZCIK-WDEREUQCSA-N 1 3 214.353 1.207 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@H]1O)CC(C)(C)N ZINC000261589083 135230409 /nfs/dbraw/zinc/23/04/09/135230409.db2.gz SXELNQSYVOZCIK-WDEREUQCSA-N 1 3 214.353 1.207 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000261547457 135240419 /nfs/dbraw/zinc/24/04/19/135240419.db2.gz ICVYYPDXWJUJMP-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)N(CCNC1=[NH+]CCCN1)C(C)C ZINC000261734687 135249386 /nfs/dbraw/zinc/24/93/86/135249386.db2.gz HPCHRVBNEFJYNH-UHFFFAOYSA-N 1 3 226.368 1.044 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@H]2CCOC2)C1 ZINC000261827444 135255998 /nfs/dbraw/zinc/25/59/98/135255998.db2.gz IVWQYMLMGCGOSX-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@@H]2CCOC2)C1 ZINC000261827442 135256355 /nfs/dbraw/zinc/25/63/55/135256355.db2.gz IVWQYMLMGCGOSX-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000261828378 135256457 /nfs/dbraw/zinc/25/64/57/135256457.db2.gz NCCPUFZMEQEGNL-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H]1CCN(C)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261900371 135261697 /nfs/dbraw/zinc/26/16/97/135261697.db2.gz VWJACXDCKHZOKI-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1CCN(C)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261900372 135261944 /nfs/dbraw/zinc/26/19/44/135261944.db2.gz VWJACXDCKHZOKI-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CN(CCN1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000261903154 135262075 /nfs/dbraw/zinc/26/20/75/135262075.db2.gz WTSJXTINIWGWRF-HNNXBMFYSA-N 1 3 247.386 1.794 20 0 BDADHO CN(CC[N@@H+]1CC[C@@](C)(CN)C1)c1ccccc1 ZINC000261903154 135262076 /nfs/dbraw/zinc/26/20/76/135262076.db2.gz WTSJXTINIWGWRF-HNNXBMFYSA-N 1 3 247.386 1.794 20 0 BDADHO CN(CC[N@H+]1CC[C@@](C)(CN)C1)c1ccccc1 ZINC000261903154 135262078 /nfs/dbraw/zinc/26/20/78/135262078.db2.gz WTSJXTINIWGWRF-HNNXBMFYSA-N 1 3 247.386 1.794 20 0 BDADHO CC[C@H](C)N(CC(=O)OC)CC1CC[NH2+]CC1 ZINC000261935952 135264179 /nfs/dbraw/zinc/26/41/79/135264179.db2.gz MBZPEDNCGVSZDU-NSHDSACASA-N 1 3 242.363 1.260 20 0 BDADHO CC[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000262023500 135274305 /nfs/dbraw/zinc/27/43/05/135274305.db2.gz WLHBXXPUDYEHFO-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@]1(CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000262023500 135274306 /nfs/dbraw/zinc/27/43/06/135274306.db2.gz WLHBXXPUDYEHFO-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@H](C2CC2)C1 ZINC000262048859 135275542 /nfs/dbraw/zinc/27/55/42/135275542.db2.gz ZJUJMLVBIQROOB-ZDUSSCGKSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000262046566 135275922 /nfs/dbraw/zinc/27/59/22/135275922.db2.gz YZBGGKAOJAXBEZ-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000262046566 135275924 /nfs/dbraw/zinc/27/59/24/135275924.db2.gz YZBGGKAOJAXBEZ-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]C[C@H]2O)C1 ZINC000262176357 135283673 /nfs/dbraw/zinc/28/36/73/135283673.db2.gz VZEHTXYUWAAMSS-FVCCEPFGSA-N 1 3 226.364 1.125 20 0 BDADHO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CNC[C@H]2O)C1 ZINC000262176357 135283674 /nfs/dbraw/zinc/28/36/74/135283674.db2.gz VZEHTXYUWAAMSS-FVCCEPFGSA-N 1 3 226.364 1.125 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCC[C@H]1O ZINC000262213605 135290261 /nfs/dbraw/zinc/29/02/61/135290261.db2.gz LXPSJFVDNYXSOV-MGPQQGTHSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)C[C@H]1CCCC[C@H]1O ZINC000262213605 135290264 /nfs/dbraw/zinc/29/02/64/135290264.db2.gz LXPSJFVDNYXSOV-MGPQQGTHSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)C[C@H]1CCCC[C@H]1O ZINC000262213605 135290266 /nfs/dbraw/zinc/29/02/66/135290266.db2.gz LXPSJFVDNYXSOV-MGPQQGTHSA-N 1 3 240.391 1.469 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000342601914 135302262 /nfs/dbraw/zinc/30/22/62/135302262.db2.gz YJLOMFNYCZHTGB-LLVKDONJSA-N 1 3 241.379 1.010 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC([NH3+])(CC)CC ZINC000262603434 135308108 /nfs/dbraw/zinc/30/81/08/135308108.db2.gz QWESZNWMAGJWJD-NSHDSACASA-N 1 3 229.368 1.138 20 0 BDADHO CC1(C)CN(CC[NH3+])CCN1Cc1ccccc1 ZINC000263022783 135327435 /nfs/dbraw/zinc/32/74/35/135327435.db2.gz QZPUUAUQROMHCE-UHFFFAOYSA-N 1 3 247.386 1.542 20 0 BDADHO Cn1cccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000334283652 135339504 /nfs/dbraw/zinc/33/95/04/135339504.db2.gz ZITVQUIGZJSEEV-OAHLLOKOSA-N 1 3 247.386 1.943 20 0 BDADHO Cn1cccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000334283652 135339506 /nfs/dbraw/zinc/33/95/06/135339506.db2.gz ZITVQUIGZJSEEV-OAHLLOKOSA-N 1 3 247.386 1.943 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299893953 135381068 /nfs/dbraw/zinc/38/10/68/135381068.db2.gz QWILHNZOHWUPLU-AVGNSLFASA-N 1 3 224.348 1.097 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1C[C@@H]2NCCC[C@H]2C1 ZINC000299893953 135381069 /nfs/dbraw/zinc/38/10/69/135381069.db2.gz QWILHNZOHWUPLU-AVGNSLFASA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494449 135492831 /nfs/dbraw/zinc/49/28/31/135492831.db2.gz QNPRAFJMGYZFPL-LBELIVKGSA-N 1 3 208.349 1.905 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ccccc1 ZINC000089150412 135532532 /nfs/dbraw/zinc/53/25/32/135532532.db2.gz VRILFIQDNLBHEP-OCCSQVGLSA-N 1 3 234.343 1.782 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC1CC(F)(F)C1 ZINC000335008203 135864746 /nfs/dbraw/zinc/86/47/46/135864746.db2.gz IIRNXYNUYZDRLZ-WCBMZHEXSA-N 1 3 218.291 1.891 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@H]1CCCOC1 ZINC000348141632 136039155 /nfs/dbraw/zinc/03/91/55/136039155.db2.gz ZDFRSTGVUCLFPL-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH+]1CCC(N[C@H]2C[C@@H]2C(F)F)CC1 ZINC000348145062 136039336 /nfs/dbraw/zinc/03/93/36/136039336.db2.gz CCUWWCMNLHUCGN-UWVGGRQHSA-N 1 3 218.291 1.714 20 0 BDADHO c1ccc2c(c1)CC[C@H](NCC1C[NH2+]C1)C2 ZINC000335551580 136098114 /nfs/dbraw/zinc/09/81/14/136098114.db2.gz JUQVGENKFYPXFH-AWEZNQCLSA-N 1 3 216.328 1.353 20 0 BDADHO c1ccc2c(c1)CC[C@H]([NH2+]CC1CNC1)C2 ZINC000335551580 136098115 /nfs/dbraw/zinc/09/81/15/136098115.db2.gz JUQVGENKFYPXFH-AWEZNQCLSA-N 1 3 216.328 1.353 20 0 BDADHO Clc1ccc2c(c1)C[C@H](NCC1C[NH2+]C1)C2 ZINC000335553430 136098951 /nfs/dbraw/zinc/09/89/51/136098951.db2.gz WAMISJZVLZAGPO-CYBMUJFWSA-N 1 3 236.746 1.616 20 0 BDADHO Clc1ccc2c(c1)C[C@H]([NH2+]CC1CNC1)C2 ZINC000335553430 136098952 /nfs/dbraw/zinc/09/89/52/136098952.db2.gz WAMISJZVLZAGPO-CYBMUJFWSA-N 1 3 236.746 1.616 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC2(COC)CCC2)C1 ZINC000380230090 397833004 /nfs/dbraw/zinc/83/30/04/397833004.db2.gz XXPUHSJCQPQSLO-CYBMUJFWSA-N 1 3 240.391 1.735 20 0 BDADHO [NH3+][C@H]1C[C@H](NC[C@@H]2C[C@H](F)CN2)c2ccccc21 ZINC000643538211 397919961 /nfs/dbraw/zinc/91/99/61/397919961.db2.gz BOMSYCBCOSAPIN-NUZBWSBOSA-N 1 3 249.333 1.421 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649618314 398001104 /nfs/dbraw/zinc/00/11/04/398001104.db2.gz TUIPXCNGQGGTNO-ZIAGYGMSSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1C[C@H]1CCC[N@H+]1C ZINC000649618314 398001107 /nfs/dbraw/zinc/00/11/07/398001107.db2.gz TUIPXCNGQGGTNO-ZIAGYGMSSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000383179184 398009911 /nfs/dbraw/zinc/00/99/11/398009911.db2.gz JLMVAPSKXCBWIW-IHRRRGAJSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000383179184 398009914 /nfs/dbraw/zinc/00/99/14/398009914.db2.gz JLMVAPSKXCBWIW-IHRRRGAJSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H]2CCC[C@@H]21 ZINC000383179189 398010089 /nfs/dbraw/zinc/01/00/89/398010089.db2.gz JLMVAPSKXCBWIW-RDBSUJKOSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H]2CCC[C@@H]21 ZINC000383179189 398010093 /nfs/dbraw/zinc/01/00/93/398010093.db2.gz JLMVAPSKXCBWIW-RDBSUJKOSA-N 1 3 240.391 1.562 20 0 BDADHO [NH3+]CCCN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000414705538 398021164 /nfs/dbraw/zinc/02/11/64/398021164.db2.gz KMGFRADJNYXWSU-NSHDSACASA-N 1 3 249.362 1.210 20 0 BDADHO [NH3+]CCCN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000414705538 398021165 /nfs/dbraw/zinc/02/11/65/398021165.db2.gz KMGFRADJNYXWSU-NSHDSACASA-N 1 3 249.362 1.210 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000414829649 398050497 /nfs/dbraw/zinc/05/04/97/398050497.db2.gz MYGJRIHPKATSQT-DTWKUNHWSA-N 1 3 224.270 1.917 20 0 BDADHO CN(C)Cc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000384814197 398107785 /nfs/dbraw/zinc/10/77/85/398107785.db2.gz JFJZXGWOXCCBDP-GFCCVEGCSA-N 1 3 233.315 1.049 20 0 BDADHO CN(C[C@@H]1CCOc2ccccc21)C1CC([NH3+])C1 ZINC000384849611 398111926 /nfs/dbraw/zinc/11/19/26/398111926.db2.gz BGKORUHYPVVYAI-HIFPTAJRSA-N 1 3 246.354 1.974 20 0 BDADHO Cc1ccc(C)c(CNC[C@@H](C)C[NH3+])c1 ZINC000258760868 322877136 /nfs/dbraw/zinc/87/71/36/322877136.db2.gz NCEGJIDBQHWNDS-NSHDSACASA-N 1 3 206.333 1.988 20 0 BDADHO COC[C@H](CN[C@@H](C[NH3+])C1CCCCC1)OC ZINC000662276182 487529211 /nfs/dbraw/zinc/52/92/11/487529211.db2.gz GPTJCRLJSXAPTL-STQMWFEESA-N 1 3 244.379 1.145 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)[C@H](C)C1 ZINC000393734088 487579220 /nfs/dbraw/zinc/57/92/20/487579220.db2.gz ADGDNNDJXJZZFX-XQQFMLRXSA-N 1 3 228.380 1.275 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)[C@H](C)C1 ZINC000393734088 487579225 /nfs/dbraw/zinc/57/92/25/487579225.db2.gz ADGDNNDJXJZZFX-XQQFMLRXSA-N 1 3 228.380 1.275 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CC)C2)CCO1 ZINC000070356916 487590004 /nfs/dbraw/zinc/59/00/04/487590004.db2.gz OZQWIKWLHYHXBE-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H](CN[C@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248194 409545078 /nfs/dbraw/zinc/54/50/78/409545078.db2.gz VXHPBLBJYRLEIC-UONOGXRCSA-N 1 3 240.391 1.909 20 0 BDADHO CN(CC(C)(C)[NH3+])C(=O)C[C@H](N)c1ccccc1 ZINC000662605969 409780884 /nfs/dbraw/zinc/78/08/84/409780884.db2.gz VSDDXCRPHUJMCP-LBPRGKRZSA-N 1 3 249.358 1.272 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CC1CCC1)C2 ZINC000308818061 409905299 /nfs/dbraw/zinc/90/52/99/409905299.db2.gz BNCWYDPRARZRJS-STQMWFEESA-N 1 3 208.349 1.847 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC000308818061 409905303 /nfs/dbraw/zinc/90/53/03/409905303.db2.gz BNCWYDPRARZRJS-STQMWFEESA-N 1 3 208.349 1.847 20 0 BDADHO C[NH2+][C@@H](C)C(=O)N(CCN(C)C)c1ccccc1 ZINC000655446385 410268626 /nfs/dbraw/zinc/26/86/26/410268626.db2.gz QTZIYRWZQYHGNW-LBPRGKRZSA-N 1 3 249.358 1.189 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650718109 410355547 /nfs/dbraw/zinc/35/55/47/410355547.db2.gz YFZMDOMMAINWMC-ZANVPECISA-N 1 3 238.306 1.551 20 0 BDADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)CN2 ZINC000650715252 410347931 /nfs/dbraw/zinc/34/79/31/410347931.db2.gz VZMXVQDCBXVAKO-ZDUSSCGKSA-N 1 3 231.343 1.365 20 0 BDADHO CC(C)(N)C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715805 410349334 /nfs/dbraw/zinc/34/93/34/410349334.db2.gz KPUISCWAQOHPKU-NSHDSACASA-N 1 3 219.332 1.350 20 0 BDADHO c1ccc2c(c1)C[C@H](N[C@@H]1CCC[NH2+]CC1)CN2 ZINC000650715172 410351379 /nfs/dbraw/zinc/35/13/79/410351379.db2.gz SLZQPIDISWNZEP-KGLIPLIRSA-N 1 3 245.370 1.755 20 0 BDADHO CC[C@@H](COC)NCc1ccc(C[NH3+])cc1F ZINC000650717406 410353278 /nfs/dbraw/zinc/35/32/78/410353278.db2.gz ZNBJGVMDSNUANP-LBPRGKRZSA-N 1 3 240.322 1.799 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742955 410378735 /nfs/dbraw/zinc/37/87/35/410378735.db2.gz JADGOAOMJBMBCS-MJDLHHQISA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1cnccn1 ZINC000650744028 410379701 /nfs/dbraw/zinc/37/97/01/410379701.db2.gz DRJDAKPECRYXSJ-SNVBAGLBSA-N 1 3 220.320 1.256 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCC2)[C@H](C)O1 ZINC000665246269 410729155 /nfs/dbraw/zinc/72/91/55/410729155.db2.gz AKKRYKHEFRCVEL-VWYCJHECSA-N 1 3 212.337 1.413 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665244494 410729728 /nfs/dbraw/zinc/72/97/28/410729728.db2.gz OYWQAZLMGWDNNL-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO CCCN1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273840 410743827 /nfs/dbraw/zinc/74/38/27/410743827.db2.gz FLIVTRNSRDDYQT-UTUOFQBUSA-N 1 3 213.369 1.186 20 0 BDADHO CC(C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000120646649 167120669 /nfs/dbraw/zinc/12/06/69/167120669.db2.gz CWTQSPRSZMXSTP-HNNXBMFYSA-N 1 3 248.370 1.751 20 0 BDADHO CC[NH2+]CCCN[C@@H](COC)C1CC1 ZINC000397944123 410939206 /nfs/dbraw/zinc/93/92/06/410939206.db2.gz HWFSWMOTPNAOEC-NSHDSACASA-N 1 3 200.326 1.001 20 0 BDADHO CC(C)[C@@H](CCO)[NH2+]CC[C@@H]1CCCN1C ZINC000336677712 167391938 /nfs/dbraw/zinc/39/19/38/167391938.db2.gz QGYAWMPBCJDWMX-QWHCGFSZSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@@H]([NH2+]CCCN(C)C)c1cccnc1 ZINC000019958510 411072905 /nfs/dbraw/zinc/07/29/05/411072905.db2.gz OMGJXSWFISFWJT-LLVKDONJSA-N 1 3 207.321 1.684 20 0 BDADHO CC(C)CN(C)CCC[NH2+]C1CCOCC1 ZINC000651865861 411147713 /nfs/dbraw/zinc/14/77/13/411147713.db2.gz KEQJIJAEZZFMFO-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)C[N@H+](C)CCCNC1CCOCC1 ZINC000651865861 411147714 /nfs/dbraw/zinc/14/77/14/411147714.db2.gz KEQJIJAEZZFMFO-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)C[N@@H+](C)CCCNC1CCOCC1 ZINC000651865861 411147715 /nfs/dbraw/zinc/14/77/15/411147715.db2.gz KEQJIJAEZZFMFO-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](COC)NCCC[N@H+](C)CC(C)C ZINC000651866202 411147854 /nfs/dbraw/zinc/14/78/54/411147854.db2.gz YUASVKDYUIDVOW-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO CC[C@H](COC)NCCC[N@@H+](C)CC(C)C ZINC000651866202 411147855 /nfs/dbraw/zinc/14/78/55/411147855.db2.gz YUASVKDYUIDVOW-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO CC[C@H](COC)[NH2+]CCCN(C)CC(C)C ZINC000651866202 411147856 /nfs/dbraw/zinc/14/78/56/411147856.db2.gz YUASVKDYUIDVOW-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO COC1CC(NCCC[N@H+](C)CC(C)C)C1 ZINC000651865867 411148153 /nfs/dbraw/zinc/14/81/53/411148153.db2.gz KQDPEAQWBULJPH-UHFFFAOYSA-N 1 3 228.380 1.731 20 0 BDADHO COC1CC(NCCC[N@@H+](C)CC(C)C)C1 ZINC000651865867 411148154 /nfs/dbraw/zinc/14/81/54/411148154.db2.gz KQDPEAQWBULJPH-UHFFFAOYSA-N 1 3 228.380 1.731 20 0 BDADHO COC1CC([NH2+]CCCN(C)CC(C)C)C1 ZINC000651865867 411148155 /nfs/dbraw/zinc/14/81/55/411148155.db2.gz KQDPEAQWBULJPH-UHFFFAOYSA-N 1 3 228.380 1.731 20 0 BDADHO c1coc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000400940077 411164241 /nfs/dbraw/zinc/16/42/41/411164241.db2.gz AVMLIRIVJZJOFN-SDDRHHMPSA-N 1 3 220.316 1.757 20 0 BDADHO Cc1noc(C)c1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401045932 411174887 /nfs/dbraw/zinc/17/48/87/411174887.db2.gz VUEMTXUTDOZVOU-FRRDWIJNSA-N 1 3 249.358 1.769 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[N@H+](C)CC(C)C ZINC000652222109 411175460 /nfs/dbraw/zinc/17/54/60/411175460.db2.gz FVVNBDAJHKZTAS-OLZOCXBDSA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[N@@H+](C)CC(C)C ZINC000652222109 411175461 /nfs/dbraw/zinc/17/54/61/411175461.db2.gz FVVNBDAJHKZTAS-OLZOCXBDSA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652222109 411175467 /nfs/dbraw/zinc/17/54/67/411175467.db2.gz FVVNBDAJHKZTAS-OLZOCXBDSA-N 1 3 230.396 1.977 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC(C2CC2)CC1 ZINC000653694426 411185753 /nfs/dbraw/zinc/18/57/53/411185753.db2.gz DTJUBMBJKGMTOB-AWEZNQCLSA-N 1 3 240.391 1.421 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC(C2CC2)CC1 ZINC000653694426 411185755 /nfs/dbraw/zinc/18/57/55/411185755.db2.gz DTJUBMBJKGMTOB-AWEZNQCLSA-N 1 3 240.391 1.421 20 0 BDADHO COC1([C@H](C)[NH2+]C[C@@H](C)CN(C)C)CCC1 ZINC000658018232 411198944 /nfs/dbraw/zinc/19/89/44/411198944.db2.gz PLLRCOGCXLWURJ-NEPJUHHUSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](CC(C)(C)C)[NH2+]C1CCNCC1 ZINC000656193316 411200791 /nfs/dbraw/zinc/20/07/91/411200791.db2.gz GBELYIAEFFGQGU-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H](CC(C)(C)C)NC1CC[NH2+]CC1 ZINC000656193316 411200792 /nfs/dbraw/zinc/20/07/92/411200792.db2.gz GBELYIAEFFGQGU-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC[C@@H]1O ZINC000656197083 411201465 /nfs/dbraw/zinc/20/14/65/411201465.db2.gz BJJZEPDHGASUPG-RFQIPJPRSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCCC[C@@H]1O ZINC000656197083 411201467 /nfs/dbraw/zinc/20/14/67/411201467.db2.gz BJJZEPDHGASUPG-RFQIPJPRSA-N 1 3 240.391 1.787 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198436 411203112 /nfs/dbraw/zinc/20/31/12/411203112.db2.gz VOQWKGCNKIUMJA-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCC2(CO)CCC2)C1 ZINC000656198436 411203113 /nfs/dbraw/zinc/20/31/13/411203113.db2.gz VOQWKGCNKIUMJA-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198156 411203253 /nfs/dbraw/zinc/20/32/53/411203253.db2.gz HUNOTZJMADKSIZ-RVMXOQNASA-N 1 3 226.364 1.397 20 0 BDADHO CCN(CC[NH2+][C@H]1CCCCC[C@@H]1N)C(C)C ZINC000422883827 411233862 /nfs/dbraw/zinc/23/38/62/411233862.db2.gz VRFNWXHDOFNGTP-KBPBESRZSA-N 1 3 241.423 1.966 20 0 BDADHO CCn1ccc(CNC2CCC(C[NH3+])CC2)n1 ZINC000423173486 411236457 /nfs/dbraw/zinc/23/64/57/411236457.db2.gz YYGWPTIVEYVUAX-UHFFFAOYSA-N 1 3 236.363 1.510 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)[C@@H](C)O1 ZINC000423193760 411237434 /nfs/dbraw/zinc/23/74/34/411237434.db2.gz WFAXEEYSKBQQRS-UJPOAAIJSA-N 1 3 226.364 1.517 20 0 BDADHO c1c(CNC2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000656457692 411266936 /nfs/dbraw/zinc/26/69/36/411266936.db2.gz YWEKVJIJAIZPOO-UHFFFAOYSA-N 1 3 249.362 1.235 20 0 BDADHO C[NH+]1CCC(CN[C@@H]2CCCn3ccnc32)CC1 ZINC000655714482 411268595 /nfs/dbraw/zinc/26/85/95/411268595.db2.gz FFGGFRJAIZWYLO-CYBMUJFWSA-N 1 3 248.374 1.649 20 0 BDADHO COCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402799819 411316007 /nfs/dbraw/zinc/31/60/07/411316007.db2.gz XFFIJJGJVUZHIY-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO COCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402799819 411316008 /nfs/dbraw/zinc/31/60/08/411316008.db2.gz XFFIJJGJVUZHIY-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO FC1(F)CCCN(CCN2CC[NH2+]CC2)CC1 ZINC000629559034 411324699 /nfs/dbraw/zinc/32/46/99/411324699.db2.gz PLWWOWKUNCDXPD-UHFFFAOYSA-N 1 3 247.333 1.013 20 0 BDADHO [NH3+]CCCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656792154 411372955 /nfs/dbraw/zinc/37/29/55/411372955.db2.gz OOMZNBCICUNZAE-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656792154 411372957 /nfs/dbraw/zinc/37/29/57/411372957.db2.gz OOMZNBCICUNZAE-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000656792154 411372958 /nfs/dbraw/zinc/37/29/58/411372958.db2.gz OOMZNBCICUNZAE-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H](C)C[NH+]2CCCC2)CO1 ZINC000657319215 411460777 /nfs/dbraw/zinc/46/07/77/411460777.db2.gz VMPAKQLEIYFMCQ-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CCCC2)CO1 ZINC000657319215 411460779 /nfs/dbraw/zinc/46/07/79/411460779.db2.gz VMPAKQLEIYFMCQ-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CN(CCOCC[NH3+])CCc2ccccc21 ZINC000404843258 411409367 /nfs/dbraw/zinc/40/93/67/411409367.db2.gz CMIALSDOLWRBFL-CYBMUJFWSA-N 1 3 248.370 1.624 20 0 BDADHO CCC[C@@H]1CCCN(C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653568604 411424578 /nfs/dbraw/zinc/42/45/78/411424578.db2.gz DVFSTWWPYWAKBO-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653568604 411424581 /nfs/dbraw/zinc/42/45/81/411424581.db2.gz DVFSTWWPYWAKBO-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(CO)CC1 ZINC000122357230 411430155 /nfs/dbraw/zinc/43/01/55/411430155.db2.gz HPUCVGGNSLVZEG-QWHCGFSZSA-N 1 3 240.391 1.659 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN ZINC000306285662 411441473 /nfs/dbraw/zinc/44/14/73/411441473.db2.gz JXUADLHGQYTHAD-ZRUFSTJUSA-N 1 3 214.378 1.597 20 0 BDADHO CC[C@@H]1C[C@@H](N[C@H](C)CC[NH+](C)C)CO1 ZINC000657334426 411463709 /nfs/dbraw/zinc/46/37/09/411463709.db2.gz ABURESFQPAFJEK-IJLUTSLNSA-N 1 3 214.353 1.484 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337178 411471482 /nfs/dbraw/zinc/47/14/82/411471482.db2.gz LKPCZMHTFPYVSJ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337178 411471485 /nfs/dbraw/zinc/47/14/85/411471485.db2.gz LKPCZMHTFPYVSJ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CCC(NC(=O)CCCCC[NH3+])CC1 ZINC000038098259 169952974 /nfs/dbraw/zinc/95/29/74/169952974.db2.gz UYNZDDSOOZKNDX-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO COC[C@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309490708 411498656 /nfs/dbraw/zinc/49/86/56/411498656.db2.gz ZSASFRCQKCAYHO-AGIUHOORSA-N 1 3 226.364 1.330 20 0 BDADHO COC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309490708 411498658 /nfs/dbraw/zinc/49/86/58/411498658.db2.gz ZSASFRCQKCAYHO-AGIUHOORSA-N 1 3 226.364 1.330 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2CCn3ccnc32)C1 ZINC000655804566 411519562 /nfs/dbraw/zinc/51/95/62/411519562.db2.gz ZRQLSMVYGDVDBA-GRYCIOLGSA-N 1 3 234.347 1.258 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccco2)C1 ZINC000655825279 411527338 /nfs/dbraw/zinc/52/73/38/411527338.db2.gz CBXOHEUFEYWAKO-PHIMTYICSA-N 1 3 208.305 1.709 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000309469014 170017160 /nfs/dbraw/zinc/01/71/60/170017160.db2.gz UARYFVHIBRTFGB-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000309469014 170017161 /nfs/dbraw/zinc/01/71/61/170017161.db2.gz UARYFVHIBRTFGB-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000309469014 170017162 /nfs/dbraw/zinc/01/71/62/170017162.db2.gz UARYFVHIBRTFGB-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)OC)C[C@H]1C ZINC000336673353 170018498 /nfs/dbraw/zinc/01/84/98/170018498.db2.gz KQHVNGLAHBKBSI-UPJWGTAASA-N 1 3 228.380 1.826 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)OC)C[C@H]1C ZINC000336673353 170018500 /nfs/dbraw/zinc/01/85/00/170018500.db2.gz KQHVNGLAHBKBSI-UPJWGTAASA-N 1 3 228.380 1.826 20 0 BDADHO CC[NH2+][C@@H](C)CNC(=O)[C@H](CC)N(CC)CC ZINC000358915476 170140389 /nfs/dbraw/zinc/14/03/89/170140389.db2.gz OVFFYFKSUMMCNU-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO CCOC1CC([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000124463665 170329338 /nfs/dbraw/zinc/32/93/38/170329338.db2.gz SNZNQMVEUDMVON-IYXRBSQSSA-N 1 3 240.391 1.875 20 0 BDADHO CCOC1CC(NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000124463665 170329340 /nfs/dbraw/zinc/32/93/40/170329340.db2.gz SNZNQMVEUDMVON-IYXRBSQSSA-N 1 3 240.391 1.875 20 0 BDADHO CCOCCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336681894 170374497 /nfs/dbraw/zinc/37/44/97/170374497.db2.gz RVBOSZYWRAPZQA-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO CCOCCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336681894 170374499 /nfs/dbraw/zinc/37/44/99/170374499.db2.gz RVBOSZYWRAPZQA-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO c1cc(CNCC2CC[NH+](CC3CC3)CC2)n[nH]1 ZINC000657813273 411603817 /nfs/dbraw/zinc/60/38/17/411603817.db2.gz MRSSTMVBNTXARZ-UHFFFAOYSA-N 1 3 248.374 1.621 20 0 BDADHO C[C@H](O)CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660813 411613477 /nfs/dbraw/zinc/61/34/77/411613477.db2.gz AWGCXOMRKVMIFN-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](O)CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660813 411613478 /nfs/dbraw/zinc/61/34/78/411613478.db2.gz AWGCXOMRKVMIFN-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000660659772 411614400 /nfs/dbraw/zinc/61/44/00/411614400.db2.gz QRSOXGHEKTYFNP-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000660659772 411614401 /nfs/dbraw/zinc/61/44/01/411614401.db2.gz QRSOXGHEKTYFNP-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000660659770 411614726 /nfs/dbraw/zinc/61/47/26/411614726.db2.gz QRSOXGHEKTYFNP-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000660659770 411614728 /nfs/dbraw/zinc/61/47/28/411614728.db2.gz QRSOXGHEKTYFNP-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO CN(C[C@H]1CC1(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000663514756 411695087 /nfs/dbraw/zinc/69/50/87/411695087.db2.gz SQPKJWOSAXWRDC-DGCLKSJQSA-N 1 3 210.365 1.964 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](CO)C1CCC1 ZINC000661151477 411720335 /nfs/dbraw/zinc/72/03/35/411720335.db2.gz CJCUPGRISUBEIM-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CC[NH+](CC)CCCN[C@H](CO)C1CCC1 ZINC000661151477 411720337 /nfs/dbraw/zinc/72/03/37/411720337.db2.gz CJCUPGRISUBEIM-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H](CO)C1CCC1 ZINC000661152238 411720653 /nfs/dbraw/zinc/72/06/53/411720653.db2.gz XAMLYFKBKXCECF-STQMWFEESA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](CO)C1CCC1 ZINC000661152238 411720658 /nfs/dbraw/zinc/72/06/58/411720658.db2.gz XAMLYFKBKXCECF-STQMWFEESA-N 1 3 226.364 1.221 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@@H](CO)C1CCC1 ZINC000661152238 411720661 /nfs/dbraw/zinc/72/06/61/411720661.db2.gz XAMLYFKBKXCECF-STQMWFEESA-N 1 3 226.364 1.221 20 0 BDADHO Cc1c[nH+]ccc1N(C)CC1CN(C)C1 ZINC000664328186 411922349 /nfs/dbraw/zinc/92/23/49/411922349.db2.gz BHEDDDGYHYDFEB-UHFFFAOYSA-N 1 3 205.305 1.388 20 0 BDADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](CN)C1 ZINC000662245250 412042171 /nfs/dbraw/zinc/04/21/71/412042171.db2.gz JMCNDVPBJUQHTA-VHSXEESVSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](CN)C1 ZINC000662245250 412042173 /nfs/dbraw/zinc/04/21/73/412042173.db2.gz JMCNDVPBJUQHTA-VHSXEESVSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@@H](CC(F)F)CN1CC[C@H](C[NH3+])C1 ZINC000662245250 412042175 /nfs/dbraw/zinc/04/21/75/412042175.db2.gz JMCNDVPBJUQHTA-VHSXEESVSA-N 1 3 220.307 1.948 20 0 BDADHO C[NH2+]CC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000662246731 412043129 /nfs/dbraw/zinc/04/31/29/412043129.db2.gz QQKCEDUFXYEADN-NSHDSACASA-N 1 3 248.317 1.342 20 0 BDADHO C[C@H]([NH3+])C1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000662247570 412044839 /nfs/dbraw/zinc/04/48/39/412044839.db2.gz XUSOMAKGOMLCSS-GXSJLCMTSA-N 1 3 248.317 1.470 20 0 BDADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249400 412046815 /nfs/dbraw/zinc/04/68/15/412046815.db2.gz MDJWWBMLZNMSSF-NWDGAFQWSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249400 412046820 /nfs/dbraw/zinc/04/68/20/412046820.db2.gz MDJWWBMLZNMSSF-NWDGAFQWSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@@H]1COCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919052 171105780 /nfs/dbraw/zinc/10/57/80/171105780.db2.gz UPYOKBKEEKUOLW-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000662273550 412064746 /nfs/dbraw/zinc/06/47/46/412064746.db2.gz OELRZWOYUVFJQP-HZSPNIEDSA-N 1 3 238.375 1.485 20 0 BDADHO COC[C@@H](CN[C@@H](C[NH3+])C1CCCCC1)OC ZINC000662276180 412067384 /nfs/dbraw/zinc/06/73/84/412067384.db2.gz GPTJCRLJSXAPTL-OLZOCXBDSA-N 1 3 244.379 1.145 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000662275393 412067593 /nfs/dbraw/zinc/06/75/93/412067593.db2.gz BVYDHYLYLPSQBB-LXTVHRRPSA-N 1 3 249.402 1.012 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000662275393 412067594 /nfs/dbraw/zinc/06/75/94/412067594.db2.gz BVYDHYLYLPSQBB-LXTVHRRPSA-N 1 3 249.402 1.012 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000336339557 171207254 /nfs/dbraw/zinc/20/72/54/171207254.db2.gz ZXNCYPZHHUQPQY-JSGCOSHPSA-N 1 3 236.359 1.729 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000336339557 171207256 /nfs/dbraw/zinc/20/72/56/171207256.db2.gz ZXNCYPZHHUQPQY-JSGCOSHPSA-N 1 3 236.359 1.729 20 0 BDADHO CC[C@H](C(=O)NCCC[NH+](CC)CC)N(C)C ZINC000359362355 171228225 /nfs/dbraw/zinc/22/82/25/171228225.db2.gz KDEGNQBSRYTOKC-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO C[N@H+](CC[C@H]1CCCCO1)CC(C)(C)N ZINC000662296165 412083326 /nfs/dbraw/zinc/08/33/26/412083326.db2.gz XDRKKOHQDIEDAL-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO C[N@@H+](CC[C@H]1CCCCO1)CC(C)(C)N ZINC000662296165 412083331 /nfs/dbraw/zinc/08/33/31/412083331.db2.gz XDRKKOHQDIEDAL-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCCC[NH+](CC)CC ZINC000019478872 171371755 /nfs/dbraw/zinc/37/17/55/171371755.db2.gz DYKBKXPSEYKRHW-NWDGAFQWSA-N 1 3 243.395 1.208 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)OC ZINC000362978260 171393422 /nfs/dbraw/zinc/39/34/22/171393422.db2.gz YMLQHEXXNIYWJP-LOWDOPEQSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662302859 412088587 /nfs/dbraw/zinc/08/85/87/412088587.db2.gz OOXGVBJLEGGRDF-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662312535 412094703 /nfs/dbraw/zinc/09/47/03/412094703.db2.gz HQUNDULDBXLKRD-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662312535 412094707 /nfs/dbraw/zinc/09/47/07/412094707.db2.gz HQUNDULDBXLKRD-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000662312535 412094709 /nfs/dbraw/zinc/09/47/09/412094709.db2.gz HQUNDULDBXLKRD-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO N[C@@H]1CN(CCCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662326100 412102077 /nfs/dbraw/zinc/10/20/77/412102077.db2.gz NRWIIGXARAKPEH-CHWSQXEVSA-N 1 3 243.370 1.137 20 0 BDADHO CC[C@H](NC)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000662374535 412129691 /nfs/dbraw/zinc/12/96/91/412129691.db2.gz JEDCVUSDZRIHDZ-ZDUSSCGKSA-N 1 3 249.358 1.685 20 0 BDADHO Cc1ccncc1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000665239719 412179167 /nfs/dbraw/zinc/17/91/67/412179167.db2.gz XZOXLIAMJGXKEF-OLZOCXBDSA-N 1 3 219.332 1.402 20 0 BDADHO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CCCCN1 ZINC000665244245 412185506 /nfs/dbraw/zinc/18/55/06/412185506.db2.gz JQPQULKEJMXKHL-HBNTYKKESA-N 1 3 248.317 1.531 20 0 BDADHO Cc1cncc(CCN[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000665273778 412215693 /nfs/dbraw/zinc/21/56/93/412215693.db2.gz DFUSNABRKRTYTE-NXEZZACHSA-N 1 3 222.336 1.043 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2cc(N)ccc21 ZINC000665273386 412214982 /nfs/dbraw/zinc/21/49/82/412214982.db2.gz VSYMPGQZVBJLIM-PKFCDNJMSA-N 1 3 233.359 1.972 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000665264734 412207909 /nfs/dbraw/zinc/20/79/09/412207909.db2.gz HBWFECMEDNJKLS-SYQHCUMBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNCC[C@H]2C)O1 ZINC000665264734 412207918 /nfs/dbraw/zinc/20/79/18/412207918.db2.gz HBWFECMEDNJKLS-SYQHCUMBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@@H]2[NH3+])CC1(F)F ZINC000665265542 412209153 /nfs/dbraw/zinc/20/91/53/412209153.db2.gz XYJFVEZHJRMXKH-DJLDLDEBSA-N 1 3 204.264 1.501 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccccn1 ZINC000665232573 412170426 /nfs/dbraw/zinc/17/04/26/412170426.db2.gz PJLXDWGEQWJODR-QWRGUYRKSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)c1ccccn1 ZINC000665232573 412170428 /nfs/dbraw/zinc/17/04/28/412170428.db2.gz PJLXDWGEQWJODR-QWRGUYRKSA-N 1 3 219.332 1.383 20 0 BDADHO Nc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000665232047 412170865 /nfs/dbraw/zinc/17/08/65/412170865.db2.gz FBZLAXXAPZJBCR-JSGCOSHPSA-N 1 3 233.359 1.876 20 0 BDADHO COC[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1CN)OC ZINC000665234958 412174453 /nfs/dbraw/zinc/17/44/53/412174453.db2.gz MWORFKALBQMTPK-FRRDWIJNSA-N 1 3 244.379 1.145 20 0 BDADHO COC[C@H](CC[NH2+][C@@H]1CCCC[C@H]1CN)OC ZINC000665234959 412174870 /nfs/dbraw/zinc/17/48/70/412174870.db2.gz MWORFKALBQMTPK-RWMBFGLXSA-N 1 3 244.379 1.145 20 0 BDADHO CC1(C)[C@H](C[NH2+][C@H]2CCC[C@H]2CN)C1(F)F ZINC000665273726 412216274 /nfs/dbraw/zinc/21/62/74/412216274.db2.gz CIWHBNXUOWHSDZ-GUBZILKMSA-N 1 3 232.318 1.995 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CN2)C1CCOCC1 ZINC000665277964 412219829 /nfs/dbraw/zinc/21/98/29/412219829.db2.gz RCMRVDAEIBTKNR-ZBOXLXRLSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H](NCC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC000665277964 412219832 /nfs/dbraw/zinc/21/98/32/412219832.db2.gz RCMRVDAEIBTKNR-ZBOXLXRLSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1ccco1 ZINC000665283764 412229732 /nfs/dbraw/zinc/22/97/32/412229732.db2.gz UNKVBYCOXUTSLZ-MNOVXSKESA-N 1 3 210.321 1.928 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1ccco1 ZINC000665283764 412229735 /nfs/dbraw/zinc/22/97/35/412229735.db2.gz UNKVBYCOXUTSLZ-MNOVXSKESA-N 1 3 210.321 1.928 20 0 BDADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133034842 412392250 /nfs/dbraw/zinc/39/22/50/412392250.db2.gz QYADTXJATSSEKQ-HNNXBMFYSA-N 1 3 248.370 1.610 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000309555868 173026830 /nfs/dbraw/zinc/02/68/30/173026830.db2.gz JQRFOFSOCJEKHK-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](CO)C(C)(C)C ZINC000309555868 173026832 /nfs/dbraw/zinc/02/68/32/173026832.db2.gz JQRFOFSOCJEKHK-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](CO)C(C)(C)C ZINC000309555868 173026836 /nfs/dbraw/zinc/02/68/36/173026836.db2.gz JQRFOFSOCJEKHK-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364536331 173028013 /nfs/dbraw/zinc/02/80/13/173028013.db2.gz ZPEGWJDLKMHYIS-OLZOCXBDSA-N 1 3 249.362 1.009 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364536331 173028014 /nfs/dbraw/zinc/02/80/14/173028014.db2.gz ZPEGWJDLKMHYIS-OLZOCXBDSA-N 1 3 249.362 1.009 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@]2(CCOC2)C1 ZINC000245628870 173028426 /nfs/dbraw/zinc/02/84/26/173028426.db2.gz POZQOGOLHROHTF-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@]2(CCOC2)C1 ZINC000245628870 173028429 /nfs/dbraw/zinc/02/84/29/173028429.db2.gz POZQOGOLHROHTF-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000220947070 173059795 /nfs/dbraw/zinc/05/97/95/173059795.db2.gz MIVWTGCJAXXQQG-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000220947070 173059797 /nfs/dbraw/zinc/05/97/97/173059797.db2.gz MIVWTGCJAXXQQG-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO C[NH2+]CC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000237231813 173330301 /nfs/dbraw/zinc/33/03/01/173330301.db2.gz MFCRGYMABFZZDB-CYBMUJFWSA-N 1 3 249.358 1.145 20 0 BDADHO C[NH2+]CCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000043605849 173341686 /nfs/dbraw/zinc/34/16/86/173341686.db2.gz CMGUGCJOELRBER-ZDUSSCGKSA-N 1 3 249.358 1.015 20 0 BDADHO C[NH2+]CCCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000121220452 173347703 /nfs/dbraw/zinc/34/77/03/173347703.db2.gz REEJCEJKTCJZRM-DGCLKSJQSA-N 1 3 249.358 1.048 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000237067085 173389649 /nfs/dbraw/zinc/38/96/49/173389649.db2.gz IKHZAAGYJJKFNC-JTQLQIEISA-N 1 3 235.331 1.200 20 0 BDADHO CNCc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000296579971 173389759 /nfs/dbraw/zinc/38/97/59/173389759.db2.gz WRQSXELRMQWITP-LBPRGKRZSA-N 1 3 247.342 1.344 20 0 BDADHO CNCc1cccc(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000237251527 173389882 /nfs/dbraw/zinc/38/98/82/173389882.db2.gz IKHZAAGYJJKFNC-SNVBAGLBSA-N 1 3 235.331 1.200 20 0 BDADHO COC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336698136 174027771 /nfs/dbraw/zinc/02/77/71/174027771.db2.gz IDICIBXXUJMOIX-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO COC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336698136 174027773 /nfs/dbraw/zinc/02/77/73/174027773.db2.gz IDICIBXXUJMOIX-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO COC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000336698136 174027778 /nfs/dbraw/zinc/02/77/78/174027778.db2.gz IDICIBXXUJMOIX-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO COCCCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000336748612 174180665 /nfs/dbraw/zinc/18/06/65/174180665.db2.gz SUMCVFDPNMFZJJ-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000336748612 174180667 /nfs/dbraw/zinc/18/06/67/174180667.db2.gz SUMCVFDPNMFZJJ-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128018148 174201988 /nfs/dbraw/zinc/20/19/88/174201988.db2.gz BCBUIKCBMWKLRF-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO COCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128018148 174201990 /nfs/dbraw/zinc/20/19/90/174201990.db2.gz BCBUIKCBMWKLRF-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO COCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000128018148 174201991 /nfs/dbraw/zinc/20/19/91/174201991.db2.gz BCBUIKCBMWKLRF-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO COCCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000082645398 174228087 /nfs/dbraw/zinc/22/80/87/174228087.db2.gz PDWIDPNMDMEYEO-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO COCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000372991269 174231355 /nfs/dbraw/zinc/23/13/55/174231355.db2.gz UAGUPIAGYQALCE-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO COCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000372991269 174231357 /nfs/dbraw/zinc/23/13/57/174231357.db2.gz UAGUPIAGYQALCE-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO COCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000372991269 174231359 /nfs/dbraw/zinc/23/13/59/174231359.db2.gz UAGUPIAGYQALCE-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO COCCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599844 174235498 /nfs/dbraw/zinc/23/54/98/174235498.db2.gz GRXZOJHLEXZNLE-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO COCCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369599844 174235499 /nfs/dbraw/zinc/23/54/99/174235499.db2.gz GRXZOJHLEXZNLE-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO COCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000375898309 174339496 /nfs/dbraw/zinc/33/94/96/174339496.db2.gz QZURJRCTXDBGDX-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375898309 174339497 /nfs/dbraw/zinc/33/94/97/174339497.db2.gz QZURJRCTXDBGDX-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000375898309 174339498 /nfs/dbraw/zinc/33/94/98/174339498.db2.gz QZURJRCTXDBGDX-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CO[C@H](C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224011042 174834894 /nfs/dbraw/zinc/83/48/94/174834894.db2.gz IAHRMIUQCXLUEJ-XQQFMLRXSA-N 1 3 228.380 1.922 20 0 BDADHO COc1ccc(CNCCCC[NH3+])c(OC)c1 ZINC000037714621 175106577 /nfs/dbraw/zinc/10/65/77/175106577.db2.gz VZKSMMWJPMNBBT-UHFFFAOYSA-N 1 3 238.331 1.532 20 0 BDADHO COc1cccc([C@H](C)NC[C@H](C)C[NH3+])c1 ZINC000336686207 175293569 /nfs/dbraw/zinc/29/35/69/175293569.db2.gz UQCKTLZEAJDSHV-MNOVXSKESA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H](c1ccc(F)cc1)N(C)CCOCC[NH3+] ZINC000357031648 176015544 /nfs/dbraw/zinc/01/55/44/176015544.db2.gz RATGSEXHLMIOLH-NSHDSACASA-N 1 3 240.322 1.794 20 0 BDADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000300635102 176199701 /nfs/dbraw/zinc/19/97/01/176199701.db2.gz VIBNLYUZRVKNHT-MGPQQGTHSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000026515239 176288276 /nfs/dbraw/zinc/28/82/76/176288276.db2.gz VAXHDQLLHKKJFR-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035786776 176288673 /nfs/dbraw/zinc/28/86/73/176288673.db2.gz NQPUKESXVSIXMQ-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(CCc2cccs2)CC[C@@H]1[NH3+] ZINC000049712287 176293764 /nfs/dbraw/zinc/29/37/64/176293764.db2.gz VPECSFKSULBOID-PWSUYJOCSA-N 1 3 224.373 1.960 20 0 BDADHO C[C@@H]1CN(CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130140 176294610 /nfs/dbraw/zinc/29/46/10/176294610.db2.gz LRHHXVNCKIHDJJ-OCCSQVGLSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000309733769 176340152 /nfs/dbraw/zinc/34/01/52/176340152.db2.gz BUVIQXSGDQZPHM-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000122307774 176367669 /nfs/dbraw/zinc/36/76/69/176367669.db2.gz ZROPDWXAVBUZMA-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CCOCC1 ZINC000122307774 176367670 /nfs/dbraw/zinc/36/76/70/176367670.db2.gz ZROPDWXAVBUZMA-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000305823741 177009336 /nfs/dbraw/zinc/00/93/36/177009336.db2.gz RRZVZBUWHLZVDN-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000305823741 177009338 /nfs/dbraw/zinc/00/93/38/177009338.db2.gz RRZVZBUWHLZVDN-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1CCN(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336363474 177157039 /nfs/dbraw/zinc/15/70/39/177157039.db2.gz DULVOPPJNQKNIZ-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c[nH]nc2c1 ZINC000334141052 177324572 /nfs/dbraw/zinc/32/45/72/177324572.db2.gz DOQIKTSGDHRSQX-JQWIXIFHSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C1CCN(C)CC1 ZINC000036908600 177330569 /nfs/dbraw/zinc/33/05/69/177330569.db2.gz OYZLVNPZPCHLKQ-MBNYWOFBSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CCN1 ZINC000334871109 177369641 /nfs/dbraw/zinc/36/96/41/177369641.db2.gz XVUIFEPVDMYONK-SMDDNHRTSA-N 1 3 230.355 1.884 20 0 BDADHO C[C@H]1C[C@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871109 177369642 /nfs/dbraw/zinc/36/96/42/177369642.db2.gz XVUIFEPVDMYONK-SMDDNHRTSA-N 1 3 230.355 1.884 20 0 BDADHO C[C@H]1C[C@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000488336814 225378356 /nfs/dbraw/zinc/37/83/56/225378356.db2.gz IGQRTXLQWODLEP-STQMWFEESA-N 1 3 240.391 1.685 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401918398 226362926 /nfs/dbraw/zinc/36/29/26/226362926.db2.gz CFDDFMMIXBRNHD-RWMBFGLXSA-N 1 3 226.364 1.520 20 0 BDADHO OCC1([NH2+]C[C@@H]2CCCNC2)CCCCC1 ZINC000087647105 487673386 /nfs/dbraw/zinc/67/33/86/487673386.db2.gz OWQMNZUEJMZFLV-GFCCVEGCSA-N 1 3 226.364 1.271 20 0 BDADHO OCC1(NC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000087647105 487673392 /nfs/dbraw/zinc/67/33/92/487673392.db2.gz OWQMNZUEJMZFLV-GFCCVEGCSA-N 1 3 226.364 1.271 20 0 BDADHO CCN(C[C@H](O)C[N@H+](C)C(C)C)CC1CCC1 ZINC000383844330 487677933 /nfs/dbraw/zinc/67/79/33/487677933.db2.gz ZWGXPSNATFBSNC-CQSZACIVSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1CCC1 ZINC000383844330 487677937 /nfs/dbraw/zinc/67/79/37/487677937.db2.gz ZWGXPSNATFBSNC-CQSZACIVSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000308900424 487692966 /nfs/dbraw/zinc/69/29/66/487692966.db2.gz DVSSEIQTJWBEFJ-FIQHERPVSA-N 1 3 228.405 1.988 20 0 BDADHO FCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000088026317 487699241 /nfs/dbraw/zinc/69/92/41/487699241.db2.gz SOPUWIHJXOQWAU-VXGBXAGGSA-N 1 3 214.328 1.810 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000086404552 487720935 /nfs/dbraw/zinc/72/09/35/487720935.db2.gz DHBJHRDCXHSDCT-XQHKEYJVSA-N 1 3 226.364 1.397 20 0 BDADHO CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000233553021 487725587 /nfs/dbraw/zinc/72/55/87/487725587.db2.gz JHGIPCPNOWNJRB-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000233553021 487725591 /nfs/dbraw/zinc/72/55/91/487725591.db2.gz JHGIPCPNOWNJRB-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000233553021 487725594 /nfs/dbraw/zinc/72/55/94/487725594.db2.gz JHGIPCPNOWNJRB-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226436242 487745447 /nfs/dbraw/zinc/74/54/47/487745447.db2.gz QWJFMBDKMPTJQX-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CC[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226436242 487745451 /nfs/dbraw/zinc/74/54/51/487745451.db2.gz QWJFMBDKMPTJQX-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@H](C)O)CN1CCCC1 ZINC000251153240 487749352 /nfs/dbraw/zinc/74/93/52/487749352.db2.gz YMZQAYTXLQNXTI-UTUOFQBUSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@H](CN[C@H](C)[C@H](C)O)C[NH+]1CCCC1 ZINC000251153240 487749357 /nfs/dbraw/zinc/74/93/57/487749357.db2.gz YMZQAYTXLQNXTI-UTUOFQBUSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000649592834 487766690 /nfs/dbraw/zinc/76/66/90/487766690.db2.gz YHYLBFCTECAFOD-KBPBESRZSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[C@@H]1CN(C[C@@H]2CCC[N@H+]2C)CCN1C ZINC000649592834 487766695 /nfs/dbraw/zinc/76/66/95/487766695.db2.gz YHYLBFCTECAFOD-KBPBESRZSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@H](CN[C@@H](C)CCO)C[NH+]1CCCC1 ZINC000779340694 585751784 /nfs/dbraw/zinc/75/17/84/585751784.db2.gz IZTPHCWBQQQRSB-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@@H](C)[C@@H](C[NH3+])C2)O1 ZINC000229061472 487813754 /nfs/dbraw/zinc/81/37/54/487813754.db2.gz UDXGIRJMVKRDEN-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO COc1ccccc1CC(C)(C)[NH2+]CCCN ZINC000414701247 487818405 /nfs/dbraw/zinc/81/84/05/487818405.db2.gz GJYXLBDCHYBLJZ-UHFFFAOYSA-N 1 3 236.359 1.955 20 0 BDADHO COc1ccccc1CC(C)(C)NCCC[NH3+] ZINC000414701247 487818410 /nfs/dbraw/zinc/81/84/10/487818410.db2.gz GJYXLBDCHYBLJZ-UHFFFAOYSA-N 1 3 236.359 1.955 20 0 BDADHO C[C@@H]1C[C@H](c2cccnc2)N(CCC[NH3+])C1 ZINC000414748522 487821453 /nfs/dbraw/zinc/82/14/53/487821453.db2.gz WRDYGDWUMHDZGH-DGCLKSJQSA-N 1 3 219.332 1.813 20 0 BDADHO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCCN ZINC000414751563 487821604 /nfs/dbraw/zinc/82/16/04/487821604.db2.gz APNTYRYTDFMHRD-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO CC(C)C[C@@]1(CO)CCC[N@H+]1CCCN ZINC000414751563 487821610 /nfs/dbraw/zinc/82/16/10/487821610.db2.gz APNTYRYTDFMHRD-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCCN)C1 ZINC000414757895 487822080 /nfs/dbraw/zinc/82/20/80/487822080.db2.gz UEVGWICEVMTCLN-RQJABVFESA-N 1 3 240.391 1.597 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCCN)C1 ZINC000414757895 487822085 /nfs/dbraw/zinc/82/20/85/487822085.db2.gz UEVGWICEVMTCLN-RQJABVFESA-N 1 3 240.391 1.597 20 0 BDADHO COCCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252724370 487831237 /nfs/dbraw/zinc/83/12/37/487831237.db2.gz XCGTXMZQEZCTMS-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO [NH3+]CCCNCCOc1ccc(F)cc1F ZINC000415084925 487836665 /nfs/dbraw/zinc/83/66/65/487836665.db2.gz PFMCXHVIVYFPQM-UHFFFAOYSA-N 1 3 230.258 1.282 20 0 BDADHO CCOCCC1(C[NH2+]CCCN)CCCC1 ZINC000415092104 487837409 /nfs/dbraw/zinc/83/74/09/487837409.db2.gz SCJKTUWRICNMSD-UHFFFAOYSA-N 1 3 228.380 1.912 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000666638411 487849885 /nfs/dbraw/zinc/84/98/85/487849885.db2.gz LXZPYHRXDVZWRN-QWHCGFSZSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000666638411 487849891 /nfs/dbraw/zinc/84/98/91/487849891.db2.gz LXZPYHRXDVZWRN-QWHCGFSZSA-N 1 3 228.380 1.454 20 0 BDADHO CC[C@H]1CN(CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403813905 487890547 /nfs/dbraw/zinc/89/05/47/487890547.db2.gz LKFKCGZCJZYCQD-AAEUAGOBSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1ccncc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666954413 487892481 /nfs/dbraw/zinc/89/24/81/487892481.db2.gz WFDQRFUWPVSUTL-CYBMUJFWSA-N 1 3 231.343 1.622 20 0 BDADHO CC(C)O[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000404662940 487930555 /nfs/dbraw/zinc/93/05/55/487930555.db2.gz XHHAILUZVBISLW-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000404662940 487930558 /nfs/dbraw/zinc/93/05/58/487930558.db2.gz XHHAILUZVBISLW-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000404662940 487930563 /nfs/dbraw/zinc/93/05/63/487930563.db2.gz XHHAILUZVBISLW-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccnc2ccccc12 ZINC000560942820 322993634 /nfs/dbraw/zinc/99/36/34/322993634.db2.gz MTFONTNFJHXJDR-NSHDSACASA-N 1 3 229.327 1.919 20 0 BDADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1C[C@@H]1C ZINC000397506394 323029968 /nfs/dbraw/zinc/02/99/68/323029968.db2.gz DKAAGVJLFPZILW-XQQFMLRXSA-N 1 3 240.391 1.467 20 0 BDADHO Cc1cccc(NC(=O)C[C@@H](C)NCCC[NH3+])c1 ZINC000570199901 323052712 /nfs/dbraw/zinc/05/27/12/323052712.db2.gz DVXNTNPZRZAFGS-GFCCVEGCSA-N 1 3 249.358 1.651 20 0 BDADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCN)c1 ZINC000570199901 323052713 /nfs/dbraw/zinc/05/27/13/323052713.db2.gz DVXNTNPZRZAFGS-GFCCVEGCSA-N 1 3 249.358 1.651 20 0 BDADHO CC[C@H](NCCOCC[NH3+])c1c(C)noc1C ZINC000570451267 323059905 /nfs/dbraw/zinc/05/99/05/323059905.db2.gz CHFHTTHFPVKOPM-NSHDSACASA-N 1 3 241.335 1.307 20 0 BDADHO CC[C@@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000531378756 323088388 /nfs/dbraw/zinc/08/83/88/323088388.db2.gz WGFRVINCPZRPLK-YNEHKIRRSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000531378756 323088389 /nfs/dbraw/zinc/08/83/89/323088389.db2.gz WGFRVINCPZRPLK-YNEHKIRRSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000571038344 323104423 /nfs/dbraw/zinc/10/44/23/323104423.db2.gz MNGRVQWCPJJGLA-YNEHKIRRSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000571038344 323104424 /nfs/dbraw/zinc/10/44/24/323104424.db2.gz MNGRVQWCPJJGLA-YNEHKIRRSA-N 1 3 228.380 1.371 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000567123325 323119730 /nfs/dbraw/zinc/11/97/30/323119730.db2.gz DHBJHRDCXHSDCT-UMSGYPCISA-N 1 3 226.364 1.397 20 0 BDADHO CCn1ccnc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000563452389 323126579 /nfs/dbraw/zinc/12/65/79/323126579.db2.gz FYTYJUINUNZXBY-GFCCVEGCSA-N 1 3 236.363 1.525 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)Cc2ccccc2)C1 ZINC000571416567 323144344 /nfs/dbraw/zinc/14/43/44/323144344.db2.gz GQYMPYXRLDRSHO-KFWWJZLASA-N 1 3 248.370 1.450 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NC[C@@H](O)Cc2ccccc2)C1 ZINC000571416568 323144356 /nfs/dbraw/zinc/14/43/56/323144356.db2.gz GQYMPYXRLDRSHO-KKUMJFAQSA-N 1 3 248.370 1.450 20 0 BDADHO Cc1nccn1CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395120763 323188070 /nfs/dbraw/zinc/18/80/70/323188070.db2.gz GKLNYSQGJCNDTR-YPMHNXCESA-N 1 3 236.363 1.312 20 0 BDADHO Cc1nccn1CC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000395120763 323188071 /nfs/dbraw/zinc/18/80/71/323188071.db2.gz GKLNYSQGJCNDTR-YPMHNXCESA-N 1 3 236.363 1.312 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000530219337 323217814 /nfs/dbraw/zinc/21/78/14/323217814.db2.gz JCFYTUCHFYXBLS-OLZOCXBDSA-N 1 3 249.358 1.492 20 0 BDADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cn1 ZINC000530219337 323217815 /nfs/dbraw/zinc/21/78/15/323217815.db2.gz JCFYTUCHFYXBLS-OLZOCXBDSA-N 1 3 249.358 1.492 20 0 BDADHO C[C@H](CCc1ccco1)N[C@H](C)[C@H](C)[NH3+] ZINC000309125175 323318279 /nfs/dbraw/zinc/31/82/79/323318279.db2.gz WALLEHHLKNDVTB-OUAUKWLOSA-N 1 3 210.321 1.926 20 0 BDADHO CC[C@H]1CCCN(C[C@@H](O)C[N@H+](C)CC)C1 ZINC000309253549 323332852 /nfs/dbraw/zinc/33/28/52/323332852.db2.gz NRQDEHOMIAYHDP-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000309253549 323332855 /nfs/dbraw/zinc/33/28/55/323332855.db2.gz NRQDEHOMIAYHDP-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H](C)[C@@H]1CCCO1 ZINC000564074290 323424137 /nfs/dbraw/zinc/42/41/37/323424137.db2.gz RQDYPUSQSAGJBG-RYUDHWBXSA-N 1 3 214.353 1.532 20 0 BDADHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCOCC1 ZINC000521736677 324191816 /nfs/dbraw/zinc/19/18/16/324191816.db2.gz UVWXTPMYMILRFU-GXTWGEPZSA-N 1 3 242.407 1.979 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000565092822 325856814 /nfs/dbraw/zinc/85/68/14/325856814.db2.gz HGEIMXFDMCBNDA-MCIONIFRSA-N 1 3 242.407 1.761 20 0 BDADHO CCCCNC(=O)CCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000566411895 326041144 /nfs/dbraw/zinc/04/11/44/326041144.db2.gz MSQJWVGNFLCSCG-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000566483341 326056342 /nfs/dbraw/zinc/05/63/42/326056342.db2.gz VBLHJMCRDWNMOJ-OCCSQVGLSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cccc(CCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000566483340 326056484 /nfs/dbraw/zinc/05/64/84/326056484.db2.gz VBLHJMCRDWNMOJ-JSGCOSHPSA-N 1 3 233.359 1.792 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000566625286 326069477 /nfs/dbraw/zinc/06/94/77/326069477.db2.gz LAJNUZGDWOOWKM-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000566625286 326069480 /nfs/dbraw/zinc/06/94/80/326069480.db2.gz LAJNUZGDWOOWKM-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCCC2(CCCC2)C1 ZINC000566625286 326069481 /nfs/dbraw/zinc/06/94/81/326069481.db2.gz LAJNUZGDWOOWKM-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000566974495 326098631 /nfs/dbraw/zinc/09/86/31/326098631.db2.gz XNLITMPBEPYYEI-CDMKHQONSA-N 1 3 249.358 1.677 20 0 BDADHO CC[C@](C)(O)CNC1CC[NH+](CC2CC2)CC1 ZINC000154490552 326146401 /nfs/dbraw/zinc/14/64/01/326146401.db2.gz PRLLKWRBMBJHGJ-AWEZNQCLSA-N 1 3 240.391 1.611 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000567893749 326278403 /nfs/dbraw/zinc/27/84/03/326278403.db2.gz TVBGNXKSBMZZJH-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO Cc1noc(CCCN[C@](C)(C[NH3+])C2CC2)n1 ZINC000567897505 326278682 /nfs/dbraw/zinc/27/86/82/326278682.db2.gz YOIWELDOVCJCHW-GFCCVEGCSA-N 1 3 238.335 1.028 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOCC2CCC2)C1 ZINC000568247187 326333740 /nfs/dbraw/zinc/33/37/40/326333740.db2.gz DSIXOKBLYRXENV-QWHCGFSZSA-N 1 3 226.364 1.663 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000568248442 326334299 /nfs/dbraw/zinc/33/42/99/326334299.db2.gz QQJKUNQMSSJJMN-NWDGAFQWSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cn1 ZINC000568248442 326334300 /nfs/dbraw/zinc/33/43/00/326334300.db2.gz QQJKUNQMSSJJMN-NWDGAFQWSA-N 1 3 234.347 1.187 20 0 BDADHO OCCN(Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000568771807 326376803 /nfs/dbraw/zinc/37/68/03/326376803.db2.gz GPUQSLRCAFWYFP-UHFFFAOYSA-N 1 3 246.354 1.289 20 0 BDADHO CSCC[C@H](CO)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000568856581 326379357 /nfs/dbraw/zinc/37/93/57/326379357.db2.gz YLPRFFMRCOMSJL-SDDRHHMPSA-N 1 3 246.420 1.078 20 0 BDADHO CSCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000568856581 326379359 /nfs/dbraw/zinc/37/93/59/326379359.db2.gz YLPRFFMRCOMSJL-SDDRHHMPSA-N 1 3 246.420 1.078 20 0 BDADHO C[C@H]([NH2+]CCOCC1CCC1)[C@H]1CCCCN1 ZINC000569093193 326389405 /nfs/dbraw/zinc/38/94/05/326389405.db2.gz FERBMAFGZIDTNJ-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOCC1CCC1 ZINC000573197711 326434666 /nfs/dbraw/zinc/43/46/66/326434666.db2.gz VVOMZCCBXFRIMZ-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)NC(C)(C)C[NH3+] ZINC001172745334 974918569 /nfs/dbraw/zinc/91/85/69/974918569.db2.gz CUMKSRRCFHZFNV-SNVBAGLBSA-N 1 3 230.352 1.434 20 0 BDADHO CC(C)(CO)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000135080730 488013590 /nfs/dbraw/zinc/01/35/90/488013590.db2.gz QPEUSBGGYGHMHJ-RWMBFGLXSA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@@H+]1CCC[C@H]1CN ZINC001172747316 974921248 /nfs/dbraw/zinc/92/12/48/974921248.db2.gz TUHCVAQZXWBRGT-NEPJUHHUSA-N 1 3 242.363 1.530 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC001172747316 974921257 /nfs/dbraw/zinc/92/12/57/974921257.db2.gz TUHCVAQZXWBRGT-NEPJUHHUSA-N 1 3 242.363 1.530 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947025 488023471 /nfs/dbraw/zinc/02/34/71/488023471.db2.gz JMCCDHSNEDQKRE-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947025 488023475 /nfs/dbraw/zinc/02/34/75/488023475.db2.gz JMCCDHSNEDQKRE-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CCOCCN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147435725 488023669 /nfs/dbraw/zinc/02/36/69/488023669.db2.gz YRYLSENWZNCVFI-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947028 488023752 /nfs/dbraw/zinc/02/37/52/488023752.db2.gz JMCCDHSNEDQKRE-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1COC(C)(C)C1 ZINC000659947028 488023756 /nfs/dbraw/zinc/02/37/56/488023756.db2.gz JMCCDHSNEDQKRE-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000147449129 488024393 /nfs/dbraw/zinc/02/43/93/488024393.db2.gz SZTMSVLJDDDWEF-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1N ZINC000147449129 488024397 /nfs/dbraw/zinc/02/43/97/488024397.db2.gz SZTMSVLJDDDWEF-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@@H]1N ZINC000147449129 488024403 /nfs/dbraw/zinc/02/44/03/488024403.db2.gz SZTMSVLJDDDWEF-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO COC[C@H](C)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000045706807 488026681 /nfs/dbraw/zinc/02/66/81/488026681.db2.gz NTVNTMFXQSKBCA-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@H](N)C[C@@H]1C ZINC000045706807 488026688 /nfs/dbraw/zinc/02/66/88/488026688.db2.gz NTVNTMFXQSKBCA-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@H](N)C[C@@H]1C ZINC000045706807 488026692 /nfs/dbraw/zinc/02/66/92/488026692.db2.gz NTVNTMFXQSKBCA-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO CC[C@@H](O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971284 488029196 /nfs/dbraw/zinc/02/91/96/488029196.db2.gz YSYJIDAWXDDHMJ-RWMBFGLXSA-N 1 3 228.380 1.658 20 0 BDADHO Cc1csc(CCN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084221767 488038595 /nfs/dbraw/zinc/03/85/95/488038595.db2.gz OIGBYRWSIAUOEA-MNOVXSKESA-N 1 3 239.388 1.711 20 0 BDADHO Cc1csc(CC[NH2+][C@H]2CCC[C@@H]2CN)n1 ZINC000084221767 488038600 /nfs/dbraw/zinc/03/86/00/488038600.db2.gz OIGBYRWSIAUOEA-MNOVXSKESA-N 1 3 239.388 1.711 20 0 BDADHO CNC[C@H](C)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000663510132 488055064 /nfs/dbraw/zinc/05/50/64/488055064.db2.gz CJQGLKYOBPNFMQ-NEPJUHHUSA-N 1 3 238.379 1.593 20 0 BDADHO C[C@H](COCC1CC1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656200633 488066832 /nfs/dbraw/zinc/06/68/32/488066832.db2.gz SREYKBRNBRJMGJ-KGYLQXTDSA-N 1 3 226.364 1.661 20 0 BDADHO Cc1cncc(CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000402844334 488103920 /nfs/dbraw/zinc/10/39/20/488103920.db2.gz PYHIVCZISGXSMR-CHWSQXEVSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cncc(CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000402844334 488103925 /nfs/dbraw/zinc/10/39/25/488103925.db2.gz PYHIVCZISGXSMR-CHWSQXEVSA-N 1 3 248.374 1.400 20 0 BDADHO CNCc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000669509207 488109254 /nfs/dbraw/zinc/10/92/54/488109254.db2.gz HMWBAIUITUBBIW-UHFFFAOYSA-N 1 3 235.331 1.472 20 0 BDADHO CCCN[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508337 488108969 /nfs/dbraw/zinc/10/89/69/488108969.db2.gz MPDQXBFOBORWAZ-JTQLQIEISA-N 1 3 235.331 1.472 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000168164282 488131344 /nfs/dbraw/zinc/13/13/44/488131344.db2.gz FZPVMMZROJMQDS-ZRUFSTJUSA-N 1 3 212.337 1.005 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000168164282 488131348 /nfs/dbraw/zinc/13/13/48/488131348.db2.gz FZPVMMZROJMQDS-ZRUFSTJUSA-N 1 3 212.337 1.005 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC000683228095 488133720 /nfs/dbraw/zinc/13/37/20/488133720.db2.gz SMXQBZSNOLNVNJ-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@H]1CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC000683228095 488133726 /nfs/dbraw/zinc/13/37/26/488133726.db2.gz SMXQBZSNOLNVNJ-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304656473 487513445 /nfs/dbraw/zinc/51/34/45/487513445.db2.gz ZDQCQZSIEMXVKZ-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)C1 ZINC000300376566 487510311 /nfs/dbraw/zinc/51/03/11/487510311.db2.gz LMWXXQQTELARQU-WHOHXGKFSA-N 1 3 212.337 1.007 20 0 BDADHO Cc1nocc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274261 487522951 /nfs/dbraw/zinc/52/29/51/487522951.db2.gz SJONQBIKAPVXBY-STQMWFEESA-N 1 3 249.358 1.805 20 0 BDADHO C[C@H](O)CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128665 487525165 /nfs/dbraw/zinc/52/51/65/487525165.db2.gz SXTZWCJYUFAAKD-XQQFMLRXSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](O)CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128665 487525169 /nfs/dbraw/zinc/52/51/69/487525169.db2.gz SXTZWCJYUFAAKD-XQQFMLRXSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](O)C[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000666128665 487525174 /nfs/dbraw/zinc/52/51/74/487525174.db2.gz SXTZWCJYUFAAKD-XQQFMLRXSA-N 1 3 228.380 1.325 20 0 BDADHO Cc1cc(N2CCN(C(C)(C)CO)CC2)cc[nH+]1 ZINC000681386288 487789931 /nfs/dbraw/zinc/78/99/31/487789931.db2.gz SEQZYZNBHUYMEI-UHFFFAOYSA-N 1 3 249.358 1.283 20 0 BDADHO CC(C)(C)NCC[NH2+][C@H](CO)C(C)(C)C ZINC000393974657 488092723 /nfs/dbraw/zinc/09/27/23/488092723.db2.gz SUQXVXGRWAWTMM-SNVBAGLBSA-N 1 3 216.369 1.371 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)CCC(C)C ZINC000379850855 488154774 /nfs/dbraw/zinc/15/47/74/488154774.db2.gz AOYRKZZJDXSMRF-GFCCVEGCSA-N 1 3 216.369 1.277 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)CCC(C)C ZINC000379850855 488154778 /nfs/dbraw/zinc/15/47/78/488154778.db2.gz AOYRKZZJDXSMRF-GFCCVEGCSA-N 1 3 216.369 1.277 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340020 488341834 /nfs/dbraw/zinc/34/18/34/488341834.db2.gz MYYYOBLAOVTHAT-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374522 490105594 /nfs/dbraw/zinc/10/55/94/490105594.db2.gz GFEICUNAUXUQFA-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCOC1)CN1CCCC1 ZINC000070014412 490197737 /nfs/dbraw/zinc/19/77/37/490197737.db2.gz SBQDHMBBGMFBIR-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](CN[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014412 490197743 /nfs/dbraw/zinc/19/77/43/490197743.db2.gz SBQDHMBBGMFBIR-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCOC1)CN1CCCCC1 ZINC000070464857 490215875 /nfs/dbraw/zinc/21/58/75/490215875.db2.gz XCOFYJDWYKDMKI-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](CN[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464857 490215880 /nfs/dbraw/zinc/21/58/80/490215880.db2.gz XCOFYJDWYKDMKI-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO [NH3+]CCCN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000415121858 490214828 /nfs/dbraw/zinc/21/48/28/490214828.db2.gz KYLFOKRPWZSZRP-CHWSQXEVSA-N 1 3 220.316 1.143 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)[C@H](C)CC)CC1 ZINC000305107786 490434610 /nfs/dbraw/zinc/43/46/10/490434610.db2.gz DOJPZVYUADANIU-OCCSQVGLSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000400613438 491132918 /nfs/dbraw/zinc/13/29/18/491132918.db2.gz XFTBOVRZIUZWSU-ZIAGYGMSSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)CCCCO ZINC000309381691 491147718 /nfs/dbraw/zinc/14/77/18/491147718.db2.gz SAUGKNWZFLLQSD-ZDUSSCGKSA-N 1 3 230.396 1.857 20 0 BDADHO C[C@H](NC1CCN(C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400400145 533809545 /nfs/dbraw/zinc/80/95/45/533809545.db2.gz PMUWQTQYVMTWLN-FZMZJTMJSA-N 1 3 237.391 1.343 20 0 BDADHO CCOCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216111 535628081 /nfs/dbraw/zinc/62/80/81/535628081.db2.gz BONGANRAPBWHLJ-MNOVXSKESA-N 1 3 200.326 1.130 20 0 BDADHO CCOCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216111 535628085 /nfs/dbraw/zinc/62/80/85/535628085.db2.gz BONGANRAPBWHLJ-MNOVXSKESA-N 1 3 200.326 1.130 20 0 BDADHO C[C@@H](C[NH2+]CC[C@H]1CCOC1)CN1CCCC1 ZINC000400535317 534058985 /nfs/dbraw/zinc/05/89/85/534058985.db2.gz IXVQWYYSRGGQNG-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000336119418 536135777 /nfs/dbraw/zinc/13/57/77/536135777.db2.gz NAQMRNHHZWFPMM-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000336119418 536135782 /nfs/dbraw/zinc/13/57/82/536135782.db2.gz NAQMRNHHZWFPMM-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1N(CC2CC[NH+](C)CC2)CCOC1(C)C ZINC000892068414 582783529 /nfs/dbraw/zinc/78/35/29/582783529.db2.gz NEQMXMWODARTNY-LBPRGKRZSA-N 1 3 240.391 1.828 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H](CO)C1 ZINC000225974689 536353498 /nfs/dbraw/zinc/35/34/98/536353498.db2.gz AFBUHSODFOFKFZ-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H](CO)C1 ZINC000225974689 536353501 /nfs/dbraw/zinc/35/35/01/536353501.db2.gz AFBUHSODFOFKFZ-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO CC(C)(C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257680728 534606042 /nfs/dbraw/zinc/60/60/42/534606042.db2.gz GXOVKIPWUKIJEY-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)(C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257680728 534606045 /nfs/dbraw/zinc/60/60/45/534606045.db2.gz GXOVKIPWUKIJEY-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000226067682 534650688 /nfs/dbraw/zinc/65/06/88/534650688.db2.gz OWIFFZGPMKJYDD-AGIUHOORSA-N 1 3 242.407 1.891 20 0 BDADHO CC(C)(C)[NH2+]CCN1CCN(C2CCC2)CC1 ZINC000262240072 534720808 /nfs/dbraw/zinc/72/08/08/534720808.db2.gz OZNLCALXYJKVMP-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO C[NH+](C)CCCNC[C@H]1C[C@]1(C)Br ZINC000892430055 582885168 /nfs/dbraw/zinc/88/51/68/582885168.db2.gz ZLTHHACEEACXFZ-ZJUUUORDSA-N 1 3 249.196 1.701 20 0 BDADHO CC(C)C1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000488431711 527627810 /nfs/dbraw/zinc/62/78/10/527627810.db2.gz OIIWROQEXLGECV-JXQTWKCFSA-N 1 3 240.391 1.467 20 0 BDADHO CCN1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@H](C)C1 ZINC000173364403 527805851 /nfs/dbraw/zinc/80/58/51/527805851.db2.gz ZBFONQGKCCCOEW-DGCLKSJQSA-N 1 3 236.363 1.240 20 0 BDADHO CC(C)N(C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400551017 528824279 /nfs/dbraw/zinc/82/42/79/528824279.db2.gz XNPGPEOOHWBGTA-RYUDHWBXSA-N 1 3 213.369 1.057 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249107069 534958306 /nfs/dbraw/zinc/95/83/06/534958306.db2.gz PTBSYXJZTINQMW-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[C@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227542082 535038301 /nfs/dbraw/zinc/03/83/01/535038301.db2.gz DOTDWQFRHDVYEW-MCIONIFRSA-N 1 3 234.343 1.738 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCO ZINC000348325826 535593129 /nfs/dbraw/zinc/59/31/29/535593129.db2.gz WTXFDDNSICRVGI-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCCO ZINC000348325826 535593131 /nfs/dbraw/zinc/59/31/31/535593131.db2.gz WTXFDDNSICRVGI-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CC[C@@H](COC)NCCC[NH+]1CCCCC1 ZINC000070656276 535760826 /nfs/dbraw/zinc/76/08/26/535760826.db2.gz ZUKGFBNGFBXDOF-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CC[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251889073 535846449 /nfs/dbraw/zinc/84/64/49/535846449.db2.gz WSQIXEOSQQLNLT-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251889073 535846451 /nfs/dbraw/zinc/84/64/51/535846451.db2.gz WSQIXEOSQQLNLT-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000179637542 535944770 /nfs/dbraw/zinc/94/47/70/535944770.db2.gz OSWYXJXRHIHLDP-LBPRGKRZSA-N 1 3 224.348 1.217 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000179637542 535944766 /nfs/dbraw/zinc/94/47/66/535944766.db2.gz OSWYXJXRHIHLDP-LBPRGKRZSA-N 1 3 224.348 1.217 20 0 BDADHO CC[C@@](C)(CCO)[NH2+]C[C@H]1CCCNC1 ZINC000220390327 535977493 /nfs/dbraw/zinc/97/74/93/535977493.db2.gz LAHGVJFWPFSMAO-RYUDHWBXSA-N 1 3 214.353 1.127 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253014072 535978251 /nfs/dbraw/zinc/97/82/51/535978251.db2.gz FRZJISKFOJKXEV-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251044665 536090719 /nfs/dbraw/zinc/09/07/19/536090719.db2.gz DLHPQCCFQOVHGP-FRRDWIJNSA-N 1 3 228.380 1.502 20 0 BDADHO C[N@H+](CCOCC1CC1)C1CCNCC1 ZINC000087399732 536393564 /nfs/dbraw/zinc/39/35/64/536393564.db2.gz YRWNJIUAECTERK-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](CCOCC1CC1)C1CCNCC1 ZINC000087399732 536393567 /nfs/dbraw/zinc/39/35/67/536393567.db2.gz YRWNJIUAECTERK-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO COCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494247 536590104 /nfs/dbraw/zinc/59/01/04/536590104.db2.gz BNBFGNSLVOSRKB-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000261536797 536706201 /nfs/dbraw/zinc/70/62/01/536706201.db2.gz TTYPFEVWNZJQAJ-SDDRHHMPSA-N 1 3 212.337 1.286 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348105149 566264492 /nfs/dbraw/zinc/26/44/92/566264492.db2.gz FSOXVFMBKOTXLC-QWHCGFSZSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC1SCCS1 ZINC000853022929 588716595 /nfs/dbraw/zinc/71/65/95/588716595.db2.gz HVRWQTITVIBUST-ZJUUUORDSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC1SCCS1 ZINC000853022929 588716596 /nfs/dbraw/zinc/71/65/96/588716596.db2.gz HVRWQTITVIBUST-ZJUUUORDSA-N 1 3 246.445 1.852 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1SCCS1 ZINC000853023372 588716752 /nfs/dbraw/zinc/71/67/52/588716752.db2.gz VDPMGSVNBJBFIO-AOOOYVTPSA-N 1 3 244.429 1.334 20 0 BDADHO OCc1cnccc1NC1CC[NH+](C2CC2)CC1 ZINC000891662924 582706442 /nfs/dbraw/zinc/70/64/42/582706442.db2.gz UAACPQNVNITREA-UHFFFAOYSA-N 1 3 247.342 1.035 20 0 BDADHO C[NH+]1CCC(CN2CCOC3(CCC3)C2)CC1 ZINC000892106210 582792481 /nfs/dbraw/zinc/79/24/81/582792481.db2.gz UAKKQSKWSBAOCL-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CC(C)[C@@H](CNC(=[NH2+])N1CCC1)N1CCCC1 ZINC000848983979 582816622 /nfs/dbraw/zinc/81/66/22/582816622.db2.gz AFJSLCFUAMPKSV-GFCCVEGCSA-N 1 3 238.379 1.337 20 0 BDADHO C[NH+](C)CCCNC[C@@H]1C[C@@]1(C)Br ZINC000892430054 582884933 /nfs/dbraw/zinc/88/49/33/582884933.db2.gz ZLTHHACEEACXFZ-VHSXEESVSA-N 1 3 249.196 1.701 20 0 BDADHO C[C@@H]1C[C@@H](Nc2ccncc2CO)C[N@@H+]1C1CC1 ZINC000892875631 583001997 /nfs/dbraw/zinc/00/19/97/583001997.db2.gz HEOIOACYRPJDHV-ZYHUDNBSSA-N 1 3 247.342 1.033 20 0 BDADHO C[C@@H]1C[C@@H](Nc2ccncc2CO)C[N@H+]1C1CC1 ZINC000892875631 583001998 /nfs/dbraw/zinc/00/19/98/583001998.db2.gz HEOIOACYRPJDHV-ZYHUDNBSSA-N 1 3 247.342 1.033 20 0 BDADHO C[C@H](CC1CCC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000397610342 583102953 /nfs/dbraw/zinc/10/29/53/583102953.db2.gz RAWFUBALLRFBID-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[C@@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000893399995 583136492 /nfs/dbraw/zinc/13/64/92/583136492.db2.gz BZAHXFLOZZRFOH-AWEZNQCLSA-N 1 3 240.391 1.685 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1CCCOC1)C2 ZINC000857226502 588896141 /nfs/dbraw/zinc/89/61/41/588896141.db2.gz QDDMBJULAAGOHI-AVGNSLFASA-N 1 3 224.348 1.226 20 0 BDADHO C[C@H]1C[C@@H]1C[NH2+]CCCN1CCCN(C)CC1 ZINC000894377752 583441616 /nfs/dbraw/zinc/44/16/16/583441616.db2.gz FWZZOIKECRLHAT-UONOGXRCSA-N 1 3 239.407 1.260 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000894456890 583464177 /nfs/dbraw/zinc/46/41/77/583464177.db2.gz RPLLMDKLBSQFHD-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO CN1CCC(C[NH+]2CC(C3CC3)C2)CC1 ZINC000894566556 583484502 /nfs/dbraw/zinc/48/45/02/583484502.db2.gz PCXWBGJXQRTRKS-UHFFFAOYSA-N 1 3 208.349 1.670 20 0 BDADHO COc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nc1 ZINC000895204295 583625200 /nfs/dbraw/zinc/62/52/00/583625200.db2.gz BAJJQVKJSYDLBO-BJHJDKERSA-N 1 3 249.358 1.520 20 0 BDADHO OCc1cc(NC2CC[NH+](C3CC3)CC2)ccn1 ZINC000858334612 588946479 /nfs/dbraw/zinc/94/64/79/588946479.db2.gz CHPDAZPSYRZUJM-UHFFFAOYSA-N 1 3 247.342 1.613 20 0 BDADHO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCNC12CCC2 ZINC000863483219 583992171 /nfs/dbraw/zinc/99/21/71/583992171.db2.gz RRACLEQDUGDOLB-UPJWGTAASA-N 1 3 238.375 1.676 20 0 BDADHO OCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000858346462 588947710 /nfs/dbraw/zinc/94/77/10/588947710.db2.gz NABVTHXIIXDXLJ-NSHDSACASA-N 1 3 247.342 1.470 20 0 BDADHO OCc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000858346462 588947712 /nfs/dbraw/zinc/94/77/12/588947712.db2.gz NABVTHXIIXDXLJ-NSHDSACASA-N 1 3 247.342 1.470 20 0 BDADHO OCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000858346461 588947724 /nfs/dbraw/zinc/94/77/24/588947724.db2.gz NABVTHXIIXDXLJ-LLVKDONJSA-N 1 3 247.342 1.470 20 0 BDADHO OCc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000858346461 588947726 /nfs/dbraw/zinc/94/77/26/588947726.db2.gz NABVTHXIIXDXLJ-LLVKDONJSA-N 1 3 247.342 1.470 20 0 BDADHO C[C@H](CC[NH+](C)C)Nc1ccnc(CO)c1 ZINC000858370355 588949434 /nfs/dbraw/zinc/94/94/34/588949434.db2.gz SGZGZUBEUQDUFC-SNVBAGLBSA-N 1 3 223.320 1.326 20 0 BDADHO C[N@@H+]1CCC[C@@H](CNc2ccnc(CO)c2)C1 ZINC000858402929 588951327 /nfs/dbraw/zinc/95/13/27/588951327.db2.gz OEXUXYVDRPDBAI-NSHDSACASA-N 1 3 235.331 1.328 20 0 BDADHO C[N@H+]1CCC[C@@H](CNc2ccnc(CO)c2)C1 ZINC000858402929 588951329 /nfs/dbraw/zinc/95/13/29/588951329.db2.gz OEXUXYVDRPDBAI-NSHDSACASA-N 1 3 235.331 1.328 20 0 BDADHO Clc1ncccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000841036861 584070506 /nfs/dbraw/zinc/07/05/06/584070506.db2.gz PWKKMHFESURNCV-JTQLQIEISA-N 1 3 239.750 1.824 20 0 BDADHO CN(C)CC(C)(C)C[N@H+](C)CC1=CCCOC1 ZINC000898308312 584109565 /nfs/dbraw/zinc/10/95/65/584109565.db2.gz XMAHCANLVMDLEQ-UHFFFAOYSA-N 1 3 240.391 1.853 20 0 BDADHO CN(C)CC(C)(C)C[N@@H+](C)CC1=CCCOC1 ZINC000898308312 584109568 /nfs/dbraw/zinc/10/95/68/584109568.db2.gz XMAHCANLVMDLEQ-UHFFFAOYSA-N 1 3 240.391 1.853 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841049836 584124944 /nfs/dbraw/zinc/12/49/44/584124944.db2.gz WSJNZBVKFIIVCR-DBIOUOCHSA-N 1 3 246.445 1.550 20 0 BDADHO C[C@@H](NC(=[NH2+])NC[C@H](C)CN(C)C)C1CC1 ZINC000899272370 584192125 /nfs/dbraw/zinc/19/21/25/584192125.db2.gz DSLVOSDWZNWBDC-VHSXEESVSA-N 1 3 226.368 1.097 20 0 BDADHO Cn1ncc(-c2cccc(C[NH+](C)C)c2)c1CN ZINC000899325631 584197956 /nfs/dbraw/zinc/19/79/56/584197956.db2.gz YCYLLFFCOGXVSS-UHFFFAOYSA-N 1 3 244.342 1.607 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H]1C1CCCC1 ZINC000899912387 584253434 /nfs/dbraw/zinc/25/34/34/584253434.db2.gz JCFSQIGLUXDMIO-KBPBESRZSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H]1C1CCCC1 ZINC000899912387 584253435 /nfs/dbraw/zinc/25/34/35/584253435.db2.gz JCFSQIGLUXDMIO-KBPBESRZSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H](CCCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902344789 584558098 /nfs/dbraw/zinc/55/80/98/584558098.db2.gz GCLWNRZFAHGCSZ-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCOCC2CC2)C1 ZINC000902347261 584559016 /nfs/dbraw/zinc/55/90/16/584559016.db2.gz IIQQQLWTBMXKHG-CYBMUJFWSA-N 1 3 240.391 1.781 20 0 BDADHO COCCOCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349806 584559792 /nfs/dbraw/zinc/55/97/92/584559792.db2.gz RNFOVIXYAJHXMR-GFCCVEGCSA-N 1 3 244.379 1.017 20 0 BDADHO CC(C)C[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349533 584559830 /nfs/dbraw/zinc/55/98/30/584559830.db2.gz XKKRDUBCXDSGMN-CHWSQXEVSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)C[C@@H](O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902349533 584559831 /nfs/dbraw/zinc/55/98/31/584559831.db2.gz XKKRDUBCXDSGMN-CHWSQXEVSA-N 1 3 242.407 1.761 20 0 BDADHO COCCOCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349807 584559856 /nfs/dbraw/zinc/55/98/56/584559856.db2.gz RNFOVIXYAJHXMR-LBPRGKRZSA-N 1 3 244.379 1.017 20 0 BDADHO NC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000902405639 584573020 /nfs/dbraw/zinc/57/30/20/584573020.db2.gz JOWBBSKFYMKGBF-ZDUSSCGKSA-N 1 3 232.327 1.851 20 0 BDADHO CO[C@@H](C)[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385729 584578296 /nfs/dbraw/zinc/57/82/96/584578296.db2.gz ABHBAEYTAPHYHD-WOPDTQHZSA-N 1 3 228.380 1.778 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CC2)C12CCCC2 ZINC000902412783 584580912 /nfs/dbraw/zinc/58/09/12/584580912.db2.gz DTRSQQRNYOHDNM-VXGBXAGGSA-N 1 3 238.375 1.805 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394514 584584850 /nfs/dbraw/zinc/58/48/50/584584850.db2.gz YLQTXNWOTHZCGS-GRYCIOLGSA-N 1 3 226.364 1.532 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429565 584594875 /nfs/dbraw/zinc/59/48/75/584594875.db2.gz MSEPJQNWRBVQKL-FQUUOJAGSA-N 1 3 240.391 1.645 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429559 584594981 /nfs/dbraw/zinc/59/49/81/584594981.db2.gz MSEPJQNWRBVQKL-CRWXNKLISA-N 1 3 240.391 1.645 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000902436119 584596664 /nfs/dbraw/zinc/59/66/64/584596664.db2.gz XIPDBVPWPICUJF-AYRXBEOTSA-N 1 3 245.370 1.471 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902435278 584596672 /nfs/dbraw/zinc/59/66/72/584596672.db2.gz SHDZFZOHZRVFND-BPLDGKMQSA-N 1 3 245.370 1.343 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902473955 584602290 /nfs/dbraw/zinc/60/22/90/584602290.db2.gz AWJMYYYNLJTCQN-MBJXGIAVSA-N 1 3 238.375 1.673 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CNCC1(C)C ZINC000902449465 584606000 /nfs/dbraw/zinc/60/60/00/584606000.db2.gz OUSBHBJGWHEQBT-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451594 584607191 /nfs/dbraw/zinc/60/71/91/584607191.db2.gz GZBSTMPHOLHZAC-DIVMYUDWSA-N 1 3 236.359 1.269 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3nonc3c2)C1 ZINC000902452806 584607736 /nfs/dbraw/zinc/60/77/36/584607736.db2.gz BDKBPNHJMBQWMO-GHMZBOCLSA-N 1 3 246.314 1.582 20 0 BDADHO COc1nn(C)cc1CN[C@@H](C)CCCC[NH3+] ZINC000902453594 584607832 /nfs/dbraw/zinc/60/78/32/584607832.db2.gz CHRANZUCHUXIKI-JTQLQIEISA-N 1 3 240.351 1.036 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453298 584607980 /nfs/dbraw/zinc/60/79/80/584607980.db2.gz OVTNGYKDPWDXNE-RBNDBXFCSA-N 1 3 248.370 1.281 20 0 BDADHO C[C@@H](NCCN1CCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902454167 584608688 /nfs/dbraw/zinc/60/86/88/584608688.db2.gz GPPIJCZPZFFECV-OLZOCXBDSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2nonc2c1 ZINC000902456499 584610224 /nfs/dbraw/zinc/61/02/24/584610224.db2.gz PJZXFSUJIJBNJT-BDAKNGLRSA-N 1 3 234.303 1.438 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902505411 584621232 /nfs/dbraw/zinc/62/12/32/584621232.db2.gz RVXDUBYDNDJMJR-IJLUTSLNSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC[C@@H](O)C2CC2)C1 ZINC000902505411 584621234 /nfs/dbraw/zinc/62/12/34/584621234.db2.gz RVXDUBYDNDJMJR-IJLUTSLNSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC[C@H](O)C1CC1 ZINC000902504581 584621347 /nfs/dbraw/zinc/62/13/47/584621347.db2.gz OVFHTCTYFJKLOA-AGIUHOORSA-N 1 3 226.364 1.397 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902505412 584621486 /nfs/dbraw/zinc/62/14/86/584621486.db2.gz RVXDUBYDNDJMJR-UTUOFQBUSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC[C@H](O)C2CC2)C1 ZINC000902505412 584621488 /nfs/dbraw/zinc/62/14/88/584621488.db2.gz RVXDUBYDNDJMJR-UTUOFQBUSA-N 1 3 212.337 1.007 20 0 BDADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902506641 584622182 /nfs/dbraw/zinc/62/21/82/584622182.db2.gz ZCZYPDSYOGAYGE-JHJVBQTASA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCC[C@@H](O)C2CC2)C1 ZINC000902506641 584622185 /nfs/dbraw/zinc/62/21/85/584622185.db2.gz ZCZYPDSYOGAYGE-JHJVBQTASA-N 1 3 240.391 1.643 20 0 BDADHO [NH3+]C[C@H]1C[C@H](N[C@@H]2CCCc3occc32)C1 ZINC000902485730 584625544 /nfs/dbraw/zinc/62/55/44/584625544.db2.gz NETUJRUJILEMQN-CKYFFXLPSA-N 1 3 220.316 1.984 20 0 BDADHO Cc1ncc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)s1 ZINC000902487688 584626851 /nfs/dbraw/zinc/62/68/51/584626851.db2.gz LSYRSLGSWLSFRR-HGNGGELXSA-N 1 3 225.361 1.839 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902517017 584630237 /nfs/dbraw/zinc/63/02/37/584630237.db2.gz GCGMTLMIKICLBZ-ZGKBOVNRSA-N 1 3 246.354 1.362 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902516552 584630420 /nfs/dbraw/zinc/63/04/20/584630420.db2.gz DJPZKDFVJSWXPW-DUBDDPSESA-N 1 3 234.343 1.360 20 0 BDADHO CN1CC[C@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000903316720 584750037 /nfs/dbraw/zinc/75/00/37/584750037.db2.gz QNMNUVMJQCSPDP-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316720 584750038 /nfs/dbraw/zinc/75/00/38/584750038.db2.gz QNMNUVMJQCSPDP-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316720 584750039 /nfs/dbraw/zinc/75/00/39/584750039.db2.gz QNMNUVMJQCSPDP-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000903316798 584750274 /nfs/dbraw/zinc/75/02/74/584750274.db2.gz HWCZGOKGEAXRMM-RQJABVFESA-N 1 3 237.391 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000903316798 584750275 /nfs/dbraw/zinc/75/02/75/584750275.db2.gz HWCZGOKGEAXRMM-RQJABVFESA-N 1 3 237.391 1.153 20 0 BDADHO CC[C@@H]1C[C@H]1CN1CCC([NH2+]CCOC)CC1 ZINC000903460853 584766954 /nfs/dbraw/zinc/76/69/54/584766954.db2.gz KDYRDPABEGYDCB-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO CCN(Cc1cnn(C)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903442285 584767179 /nfs/dbraw/zinc/76/71/79/584767179.db2.gz NXJZDXSZMVVLJJ-YPMHNXCESA-N 1 3 236.363 1.369 20 0 BDADHO COC[C@H](CN1C[C@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000903464592 584771872 /nfs/dbraw/zinc/77/18/72/584771872.db2.gz SRAPFVQBMYUROL-MJBXVCDLSA-N 1 3 240.391 1.718 20 0 BDADHO COC[C@H](CN1C[C@@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000903464591 584772118 /nfs/dbraw/zinc/77/21/18/584772118.db2.gz SRAPFVQBMYUROL-MELADBBJSA-N 1 3 240.391 1.718 20 0 BDADHO COCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903470151 584774509 /nfs/dbraw/zinc/77/45/09/584774509.db2.gz GTLJWRZAEQYCEQ-NSHDSACASA-N 1 3 212.337 1.287 20 0 BDADHO COC[C@@H](C[NH2+][C@@H]1CCNC12CCC2)C(C)C ZINC000903470424 584774715 /nfs/dbraw/zinc/77/47/15/584774715.db2.gz BLWUGEBKONUVCG-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903471763 584775611 /nfs/dbraw/zinc/77/56/11/584775611.db2.gz MAUYZZGQBYSDMR-NWDGAFQWSA-N 1 3 224.348 1.430 20 0 BDADHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCOC2CC2)C1 ZINC000903476381 584777556 /nfs/dbraw/zinc/77/75/56/584777556.db2.gz VOSHIZNAXTWBJI-CQSZACIVSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCOC2CC2)C1 ZINC000903476381 584777558 /nfs/dbraw/zinc/77/75/58/584777558.db2.gz VOSHIZNAXTWBJI-CQSZACIVSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000903482184 584778714 /nfs/dbraw/zinc/77/87/14/584778714.db2.gz YWZCJLYQKJDMLM-ZOBORPQBSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560059 584782056 /nfs/dbraw/zinc/78/20/56/584782056.db2.gz RWCGGMDKUCXKMK-HBNTYKKESA-N 1 3 212.337 1.081 20 0 BDADHO CC(C)(C)CN(CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903729365 584792909 /nfs/dbraw/zinc/79/29/09/584792909.db2.gz LPOMRMWADOSQSX-CYBMUJFWSA-N 1 3 242.407 1.717 20 0 BDADHO CCN(CCCO)C[C@H]1CCCC[NH2+]C1 ZINC000903732235 584793216 /nfs/dbraw/zinc/79/32/16/584793216.db2.gz DLRSMXYJFOZPCT-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CC1CC(CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000903744383 584796550 /nfs/dbraw/zinc/79/65/50/584796550.db2.gz RMSZICUPDYYZBQ-BPCQOVAHSA-N 1 3 208.349 1.718 20 0 BDADHO OCC[C@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903768683 584798129 /nfs/dbraw/zinc/79/81/29/584798129.db2.gz PABONHHAMZYOOX-UONOGXRCSA-N 1 3 240.391 1.613 20 0 BDADHO CC1(C)C[C@@H](O)CN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778026 584799620 /nfs/dbraw/zinc/79/96/20/584799620.db2.gz IUGZKINHEJKNOG-QWHCGFSZSA-N 1 3 240.391 1.469 20 0 BDADHO COCC1(N(C)C[C@H]2CCCC[NH2+]C2)CCC1 ZINC000903782007 584800393 /nfs/dbraw/zinc/80/03/93/584800393.db2.gz DBPWCBPQQONSQV-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903804398 584802691 /nfs/dbraw/zinc/80/26/91/584802691.db2.gz FFYOQWZLZSQWQK-OCCSQVGLSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903804398 584802692 /nfs/dbraw/zinc/80/26/92/584802692.db2.gz FFYOQWZLZSQWQK-OCCSQVGLSA-N 1 3 248.374 1.166 20 0 BDADHO C[C@@H]1CSCCC[N@@H+]1CCCNC1CC1 ZINC000903831569 584805922 /nfs/dbraw/zinc/80/59/22/584805922.db2.gz JWSMFYZGKNGGCQ-LLVKDONJSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@@H]1CSCCC[N@H+]1CCCNC1CC1 ZINC000903831569 584805923 /nfs/dbraw/zinc/80/59/23/584805923.db2.gz JWSMFYZGKNGGCQ-LLVKDONJSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@@H]1CCOCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903832992 584805965 /nfs/dbraw/zinc/80/59/65/584805965.db2.gz VAQWXEMMEFFOTO-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCO[C@H](CN1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903860030 584812685 /nfs/dbraw/zinc/81/26/85/584812685.db2.gz QASRLUXJVGFWRI-MGPQQGTHSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@]12CSC[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000903871122 584815284 /nfs/dbraw/zinc/81/52/84/584815284.db2.gz NODNSMDHOUITSD-YPMHNXCESA-N 1 3 240.416 1.813 20 0 BDADHO C[C@]12CSC[C@H]1C[N@H+](CCCNC1CC1)C2 ZINC000903871122 584815285 /nfs/dbraw/zinc/81/52/85/584815285.db2.gz NODNSMDHOUITSD-YPMHNXCESA-N 1 3 240.416 1.813 20 0 BDADHO C[C@]12CSC[C@H]1C[N@@H+](CCCNC1CC1)C2 ZINC000903871122 584815286 /nfs/dbraw/zinc/81/52/86/584815286.db2.gz NODNSMDHOUITSD-YPMHNXCESA-N 1 3 240.416 1.813 20 0 BDADHO CC[C@@H]1C(=O)NCCCN1CCCCCC[NH3+] ZINC000903883154 584818327 /nfs/dbraw/zinc/81/83/27/584818327.db2.gz UBSLORPFGVOADZ-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO [NH3+][C@H](CNCCc1ccccc1F)CC(F)F ZINC000903919474 584823281 /nfs/dbraw/zinc/82/32/81/584823281.db2.gz CRWCPCLBXRPRAT-JTQLQIEISA-N 1 3 246.276 1.940 20 0 BDADHO CC[C@@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903925837 584823936 /nfs/dbraw/zinc/82/39/36/584823936.db2.gz HSRLMXPPVXWRKV-MNOVXSKESA-N 1 3 237.351 1.091 20 0 BDADHO CC(=O)Nc1ccc(CNCCC(C)(C)[NH3+])cc1 ZINC000903941276 584828909 /nfs/dbraw/zinc/82/89/09/584828909.db2.gz VPEMUSOGIZTJGX-UHFFFAOYSA-N 1 3 249.358 1.862 20 0 BDADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCc1cc(N)ccn1 ZINC000903953867 584831668 /nfs/dbraw/zinc/83/16/68/584831668.db2.gz MIJWJBGOBPMNRI-JQWIXIFHSA-N 1 3 234.347 1.284 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963732 584833528 /nfs/dbraw/zinc/83/35/28/584833528.db2.gz HISTVSJMJYLUJW-NTZNESFSSA-N 1 3 226.364 1.389 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986415 584835583 /nfs/dbraw/zinc/83/55/83/584835583.db2.gz JFVIRNZTIXDQLG-LOWDOPEQSA-N 1 3 224.348 1.413 20 0 BDADHO CC(C)C[C@H]1COCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320057 584863970 /nfs/dbraw/zinc/86/39/70/584863970.db2.gz CECLCHGSBINYPL-XQQFMLRXSA-N 1 3 226.364 1.471 20 0 BDADHO CC(C)C[C@@H]1COCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904320056 584864071 /nfs/dbraw/zinc/86/40/71/584864071.db2.gz CECLCHGSBINYPL-FRRDWIJNSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H](O)C(C)(C)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904330078 584865888 /nfs/dbraw/zinc/86/58/88/584865888.db2.gz YLRWVBZAYZTLOC-MNOVXSKESA-N 1 3 230.396 1.889 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCc3cc(F)ccc3C2)C1 ZINC000904328929 584865973 /nfs/dbraw/zinc/86/59/73/584865973.db2.gz JBIDOASMDYLVBC-WJONMLJTSA-N 1 3 234.318 1.921 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCc3ccc(O)cc3C2)C1 ZINC000904336443 584866367 /nfs/dbraw/zinc/86/63/67/584866367.db2.gz QFQRSHCSQARDCK-GSJFWJNXSA-N 1 3 232.327 1.488 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)[C@@H]1CO ZINC000904341776 584867208 /nfs/dbraw/zinc/86/72/08/584867208.db2.gz VUXOFVRSZGRCBV-JHJVBQTASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)[C@@H]1CO ZINC000904341776 584867209 /nfs/dbraw/zinc/86/72/09/584867209.db2.gz VUXOFVRSZGRCBV-JHJVBQTASA-N 1 3 242.407 1.843 20 0 BDADHO CC1(C)CN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346513 584868546 /nfs/dbraw/zinc/86/85/46/584868546.db2.gz SHPQFLCEELKBDV-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@@]2(C)CCCNC2)C[C@H]1O ZINC000904346513 584868547 /nfs/dbraw/zinc/86/85/47/584868547.db2.gz SHPQFLCEELKBDV-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@@H+](C[C@@]2(C)CCCNC2)C[C@H]1O ZINC000904346513 584868548 /nfs/dbraw/zinc/86/85/48/584868548.db2.gz SHPQFLCEELKBDV-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346568 584868650 /nfs/dbraw/zinc/86/86/50/584868650.db2.gz UFGAJKAFTLMTJX-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)C[C@@H]1O ZINC000904346568 584868651 /nfs/dbraw/zinc/86/86/51/584868651.db2.gz UFGAJKAFTLMTJX-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)C[C@@H]1O ZINC000904346568 584868653 /nfs/dbraw/zinc/86/86/53/584868653.db2.gz UFGAJKAFTLMTJX-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO [NH3+][C@H]1C[C@@H](CNc2ccc3c(c2)OCCNC3)C1 ZINC000904381914 584877427 /nfs/dbraw/zinc/87/74/27/584877427.db2.gz XVWBUMJRZJJBKW-KLPPZKSPSA-N 1 3 247.342 1.318 20 0 BDADHO [NH3+]CC[C@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000904409608 584879251 /nfs/dbraw/zinc/87/92/51/584879251.db2.gz DJGXAINXTXHOJE-NSHDSACASA-N 1 3 248.326 1.586 20 0 BDADHO CCn1nccc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412341 584879584 /nfs/dbraw/zinc/87/95/84/584879584.db2.gz SXMCVYKXBHSPFP-RYUDHWBXSA-N 1 3 236.363 1.320 20 0 BDADHO CC1(CN[C@@H]2CCCC[C@@H]2C[NH3+])OCCCO1 ZINC000817926902 584991288 /nfs/dbraw/zinc/99/12/88/584991288.db2.gz WAYQYIHPIWVRLS-VXGBXAGGSA-N 1 3 242.363 1.247 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000749146166 585199873 /nfs/dbraw/zinc/19/98/73/585199873.db2.gz CVPMSDDUGXHPQQ-NSHDSACASA-N 1 3 249.362 1.145 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000749146166 585199874 /nfs/dbraw/zinc/19/98/74/585199874.db2.gz CVPMSDDUGXHPQQ-NSHDSACASA-N 1 3 249.362 1.145 20 0 BDADHO CC(C)(C)OC1CC(N2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000775937103 585687984 /nfs/dbraw/zinc/68/79/84/585687984.db2.gz BKDFMIMMGRXPSI-OKZRHMCRSA-N 1 3 238.375 1.484 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)CCO)CN1CCCC1 ZINC000779340694 585751783 /nfs/dbraw/zinc/75/17/83/585751783.db2.gz IZTPHCWBQQQRSB-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000783223976 585831239 /nfs/dbraw/zinc/83/12/39/585831239.db2.gz ORIGQXMQQLHLMB-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000788471069 585925222 /nfs/dbraw/zinc/92/52/22/585925222.db2.gz SSKLKAVAPQUZJZ-NWDGAFQWSA-N 1 3 226.364 1.437 20 0 BDADHO C[C@@H](C[S@@](C)=O)[N@H+](C)CC1CCN(C)CC1 ZINC000788490084 585925514 /nfs/dbraw/zinc/92/55/14/585925514.db2.gz XEKKSZILXCXXST-MEDUHNTESA-N 1 3 246.420 1.027 20 0 BDADHO C[C@@H](C[S@@](C)=O)[N@@H+](C)CC1CCN(C)CC1 ZINC000788490084 585925515 /nfs/dbraw/zinc/92/55/15/585925515.db2.gz XEKKSZILXCXXST-MEDUHNTESA-N 1 3 246.420 1.027 20 0 BDADHO CCN1CCN(CC[NH+]2CCCC2)[C@@H](C)C1 ZINC000796315636 586100445 /nfs/dbraw/zinc/10/04/45/586100445.db2.gz JFPUIZOMZSVTHD-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325729 586600037 /nfs/dbraw/zinc/60/00/37/586600037.db2.gz JSQOUWZVMVPRBV-NEPJUHHUSA-N 1 3 249.358 1.780 20 0 BDADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325729 586600038 /nfs/dbraw/zinc/60/00/38/586600038.db2.gz JSQOUWZVMVPRBV-NEPJUHHUSA-N 1 3 249.358 1.780 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCN(CCCCO)C2)C1 ZINC000815145519 586670603 /nfs/dbraw/zinc/67/06/03/586670603.db2.gz XIQVWSLYIBYTNS-ZDUSSCGKSA-N 1 3 226.364 1.177 20 0 BDADHO C[N@H+]1CCC[C@]2(CCN(CCCCO)C2)C1 ZINC000815145519 586670604 /nfs/dbraw/zinc/67/06/04/586670604.db2.gz XIQVWSLYIBYTNS-ZDUSSCGKSA-N 1 3 226.364 1.177 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)N(C)C ZINC000840344938 586815172 /nfs/dbraw/zinc/81/51/72/586815172.db2.gz MWPATCXORKBGRV-NWDGAFQWSA-N 1 3 243.395 1.029 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CSCCS1 ZINC000817898556 586831225 /nfs/dbraw/zinc/83/12/25/586831225.db2.gz ISNKCBAHHVABKB-OPRDCNLKSA-N 1 3 232.418 1.304 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000817889107 586831802 /nfs/dbraw/zinc/83/18/02/586831802.db2.gz MLXHMKARKHYKMS-SGMGOOAPSA-N 1 3 236.359 1.744 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1COc2ccccc2C1 ZINC000817891886 586833369 /nfs/dbraw/zinc/83/33/69/586833369.db2.gz PFDXWGLHCQMDNS-BNOWGMLFSA-N 1 3 246.354 1.707 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CSCCS1 ZINC000817897802 586834890 /nfs/dbraw/zinc/83/48/90/586834890.db2.gz BCKRLOSKGYZCIX-LPEHRKFASA-N 1 3 234.434 1.550 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)c1ccc(F)cc1 ZINC000817901544 586835885 /nfs/dbraw/zinc/83/58/85/586835885.db2.gz WTZQFJKOPBZGBH-KWBADKCTSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCC(C)(O)CC1 ZINC000817913086 586838000 /nfs/dbraw/zinc/83/80/00/586838000.db2.gz NXHVYTYOFTZGRJ-QCXCNERSSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cnccc1N ZINC000817913306 586839075 /nfs/dbraw/zinc/83/90/75/586839075.db2.gz NLNWRHMZOAMETA-RYUDHWBXSA-N 1 3 248.374 1.629 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCCCO ZINC000817918042 586840397 /nfs/dbraw/zinc/84/03/97/586840397.db2.gz GMYFBUQSYUZSLR-QWHCGFSZSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@@H](N[C@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927371 586841230 /nfs/dbraw/zinc/84/12/30/586841230.db2.gz FPQLNQSKCKOCSR-IUODEOHRSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)C1CNC1 ZINC000817927371 586841231 /nfs/dbraw/zinc/84/12/31/586841231.db2.gz FPQLNQSKCKOCSR-IUODEOHRSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1cccnc1F ZINC000817927364 586841526 /nfs/dbraw/zinc/84/15/26/586841526.db2.gz JXTGSXCCNVJXKE-SNVBAGLBSA-N 1 3 225.311 1.828 20 0 BDADHO CCNCC(=O)Nc1ccccc1C[NH2+]CC ZINC000818560322 586901565 /nfs/dbraw/zinc/90/15/65/586901565.db2.gz LMLJIXSBPIQUIG-UHFFFAOYSA-N 1 3 235.331 1.344 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H](O)C1CC1)CN1CCCCC1 ZINC000818968935 586917896 /nfs/dbraw/zinc/91/78/96/586917896.db2.gz GSXVEKLRSHZRAO-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](CNC[C@@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000818968935 586917898 /nfs/dbraw/zinc/91/78/98/586917898.db2.gz GSXVEKLRSHZRAO-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818984902 586919576 /nfs/dbraw/zinc/91/95/76/586919576.db2.gz MUABTTZSSVDASO-JSGCOSHPSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC000818984902 586919578 /nfs/dbraw/zinc/91/95/78/586919578.db2.gz MUABTTZSSVDASO-JSGCOSHPSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC000818984902 586919580 /nfs/dbraw/zinc/91/95/80/586919580.db2.gz MUABTTZSSVDASO-JSGCOSHPSA-N 1 3 240.391 1.467 20 0 BDADHO NCc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000832502726 587664143 /nfs/dbraw/zinc/66/41/43/587664143.db2.gz WDHIIIFRMJVGND-UHFFFAOYSA-N 1 3 247.342 1.145 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000834821894 587767698 /nfs/dbraw/zinc/76/76/98/587767698.db2.gz UQFGRHXDDYPCMF-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000834821895 587767793 /nfs/dbraw/zinc/76/77/93/587767793.db2.gz UQFGRHXDDYPCMF-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO [NH3+][C@@H](CC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000834845939 587768614 /nfs/dbraw/zinc/76/86/14/587768614.db2.gz JUXAVYPYXXADRF-ZDUSSCGKSA-N 1 3 245.326 1.356 20 0 BDADHO C[C@H](C[NH3+])CNCc1cnc2ccccc2c1 ZINC000841047750 587939323 /nfs/dbraw/zinc/93/93/23/587939323.db2.gz CHEIKRSPEZAJDG-LLVKDONJSA-N 1 3 229.327 1.919 20 0 BDADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CCCCCC[NH3+] ZINC000841849197 587978040 /nfs/dbraw/zinc/97/80/40/587978040.db2.gz BDYJILINOPUBTP-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CCCCC[NH3+])c1 ZINC000842515229 588032237 /nfs/dbraw/zinc/03/22/37/588032237.db2.gz NAPDYKIWPOTRJN-UHFFFAOYSA-N 1 3 249.358 1.911 20 0 BDADHO CC(C)(N)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000843067703 588078342 /nfs/dbraw/zinc/07/83/42/588078342.db2.gz HJBDDHZNABKVSR-LLVKDONJSA-N 1 3 242.363 1.199 20 0 BDADHO CC(C)(N)C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000843067703 588078343 /nfs/dbraw/zinc/07/83/43/588078343.db2.gz HJBDDHZNABKVSR-LLVKDONJSA-N 1 3 242.363 1.199 20 0 BDADHO Cc1noc(C)c1CNCCCCCC[NH3+] ZINC000843129729 588085697 /nfs/dbraw/zinc/08/56/97/588085697.db2.gz ZEFFTXADEZCNQV-UHFFFAOYSA-N 1 3 225.336 1.900 20 0 BDADHO CCCCOC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000843355345 588102902 /nfs/dbraw/zinc/10/29/02/588102902.db2.gz SVMCQZFPCNNPKG-UHFFFAOYSA-N 1 3 244.379 1.637 20 0 BDADHO CCCCOC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000843355345 588102903 /nfs/dbraw/zinc/10/29/03/588102903.db2.gz SVMCQZFPCNNPKG-UHFFFAOYSA-N 1 3 244.379 1.637 20 0 BDADHO CCCCOC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000843355345 588102905 /nfs/dbraw/zinc/10/29/05/588102905.db2.gz SVMCQZFPCNNPKG-UHFFFAOYSA-N 1 3 244.379 1.637 20 0 BDADHO CCCCOC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843365392 588104347 /nfs/dbraw/zinc/10/43/47/588104347.db2.gz GSCUMRDPJQXNLH-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CNC[C@@](C)(O)C[NH+]1CCCCCCC1 ZINC000846217714 588260472 /nfs/dbraw/zinc/26/04/72/588260472.db2.gz MWTDXXRNUWYKIE-GFCCVEGCSA-N 1 3 214.353 1.223 20 0 BDADHO [NH3+]CCCCCCNCc1ccccn1 ZINC000107780498 588405842 /nfs/dbraw/zinc/40/58/42/588405842.db2.gz SMFNPQBBHNWZFW-UHFFFAOYSA-N 1 3 207.321 1.690 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)c2ccco2)C1 ZINC000848719991 588408306 /nfs/dbraw/zinc/40/83/06/588408306.db2.gz QJIQOFGLEJXJLG-OUAUKWLOSA-N 1 3 224.304 1.173 20 0 BDADHO Cc1ncc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000848719445 588408575 /nfs/dbraw/zinc/40/85/75/588408575.db2.gz FKWKNGFBFNIQQV-GHMZBOCLSA-N 1 3 239.388 1.854 20 0 BDADHO CN(C)C1(CNC(=[NH2+])N2CCC2)CCCCC1 ZINC000848981140 588423608 /nfs/dbraw/zinc/42/36/08/588423608.db2.gz QCCOZSQBJJVKGQ-UHFFFAOYSA-N 1 3 238.379 1.481 20 0 BDADHO CO[C@@H](CN1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000852743876 588697857 /nfs/dbraw/zinc/69/78/57/588697857.db2.gz MRJRCHCWRVDIOA-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@H](CN)C1)C1CCC1 ZINC000852743876 588697858 /nfs/dbraw/zinc/69/78/58/588697858.db2.gz MRJRCHCWRVDIOA-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@H](CN)C1)C1CCC1 ZINC000852743876 588697859 /nfs/dbraw/zinc/69/78/59/588697859.db2.gz MRJRCHCWRVDIOA-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(CCOC(F)F)C1 ZINC000852748442 588699578 /nfs/dbraw/zinc/69/95/78/588699578.db2.gz VVKHQWKKOYFRDJ-VIFPVBQESA-N 1 3 222.279 1.286 20 0 BDADHO [NH3+]C[C@@H](NCCOC(F)F)C1CCCCC1 ZINC000852749996 588699999 /nfs/dbraw/zinc/69/99/99/588699999.db2.gz KMXQKOHVRKUIBK-SNVBAGLBSA-N 1 3 236.306 1.723 20 0 BDADHO CN(C[C@H](O)C[NH+]1CCCC1)C[C@H]1CC1(C)C ZINC000852774787 588701922 /nfs/dbraw/zinc/70/19/22/588701922.db2.gz ZFWFTWXKBNSFQE-OLZOCXBDSA-N 1 3 240.391 1.421 20 0 BDADHO CN(C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC000852774789 588702021 /nfs/dbraw/zinc/70/20/21/588702021.db2.gz ZFWFTWXKBNSFQE-STQMWFEESA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000863547622 589298476 /nfs/dbraw/zinc/29/84/76/589298476.db2.gz SVUNMTQDUBFSMZ-CMPLNLGQSA-N 1 3 240.347 1.012 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000864453548 589365941 /nfs/dbraw/zinc/36/59/41/589365941.db2.gz NCWITHIGAKWENK-NSHDSACASA-N 1 3 240.395 1.773 20 0 BDADHO CCC(CC)NC(=[NH2+])NCCNc1ccncc1 ZINC000864455611 589366977 /nfs/dbraw/zinc/36/69/77/589366977.db2.gz VRSFGTNBSHWTRJ-UHFFFAOYSA-N 1 3 249.362 1.218 20 0 BDADHO CC1(C)CCNCC[N@@H+]1Cc1cccc(N)c1 ZINC000866699417 589513009 /nfs/dbraw/zinc/51/30/09/589513009.db2.gz NZABVOPWKWPOOC-UHFFFAOYSA-N 1 3 233.359 1.843 20 0 BDADHO CC1(C)CCNCC[N@H+]1Cc1cccc(N)c1 ZINC000866699417 589513011 /nfs/dbraw/zinc/51/30/11/589513011.db2.gz NZABVOPWKWPOOC-UHFFFAOYSA-N 1 3 233.359 1.843 20 0 BDADHO C1CN[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871792145 589819667 /nfs/dbraw/zinc/81/96/67/589819667.db2.gz PJNXYGSSZRMFOO-HUAZRZQGSA-N 1 3 248.330 1.492 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000872125997 589876235 /nfs/dbraw/zinc/87/62/35/589876235.db2.gz GYNABKIVJPITQA-AULYBMBSSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872141920 589882524 /nfs/dbraw/zinc/88/25/24/589882524.db2.gz ZPVNPLUIBVPUPA-RFGFWPKPSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC1 ZINC000872141609 589882577 /nfs/dbraw/zinc/88/25/77/589882577.db2.gz LMBMEPOIHOEVHO-VZZFWQQMSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCSC2)C1 ZINC000872253167 589900483 /nfs/dbraw/zinc/90/04/83/589900483.db2.gz ZYBDWBSSKOBGQE-MNOVXSKESA-N 1 3 228.405 1.860 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000872253167 589900484 /nfs/dbraw/zinc/90/04/84/589900484.db2.gz ZYBDWBSSKOBGQE-MNOVXSKESA-N 1 3 228.405 1.860 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000872253017 589900542 /nfs/dbraw/zinc/90/05/42/589900542.db2.gz YOHHKWZKJDHUOJ-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO COCCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211631 589990220 /nfs/dbraw/zinc/99/02/20/589990220.db2.gz QTXYDUZBKOLQCV-UHFFFAOYSA-N 1 3 240.372 1.520 20 0 BDADHO C[C@H]([NH3+])CN(C)Cc1cc2c(s1)CCNC2 ZINC000873212078 589996093 /nfs/dbraw/zinc/99/60/93/589996093.db2.gz GXBWWJFLVWSLHM-VIFPVBQESA-N 1 3 239.388 1.173 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCSC1 ZINC000873234676 590004004 /nfs/dbraw/zinc/00/40/04/590004004.db2.gz FNERCZYRHPOVMO-AXFHLTTASA-N 1 3 216.394 1.845 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239604 590005318 /nfs/dbraw/zinc/00/53/18/590005318.db2.gz YWGYBIBCELVLTF-PJSNJIKXSA-N 1 3 244.354 1.609 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@@H]1CCCS1 ZINC000873243466 590006985 /nfs/dbraw/zinc/00/69/85/590006985.db2.gz LLKNSWRKZQYJNR-WOPDTQHZSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873249257 590007083 /nfs/dbraw/zinc/00/70/83/590007083.db2.gz JPZCNWQIGUPONG-MXWKQRLJSA-N 1 3 234.347 1.217 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCC1CC1 ZINC000873253551 590009643 /nfs/dbraw/zinc/00/96/43/590009643.db2.gz ZBBFMLKVBNNHGB-FPMFFAJLSA-N 1 3 240.391 1.909 20 0 BDADHO Cn1ccnc1[C@@H](NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000873254790 590010119 /nfs/dbraw/zinc/01/01/19/590010119.db2.gz ANMXXKVQPQVOJU-DLOVCJGASA-N 1 3 234.347 1.198 20 0 BDADHO CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@@H]1N ZINC000873266788 590015509 /nfs/dbraw/zinc/01/55/09/590015509.db2.gz QNOZSFUPUXFVAX-KKUMJFAQSA-N 1 3 245.370 1.643 20 0 BDADHO C[C@H](N[C@@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873270753 590016432 /nfs/dbraw/zinc/01/64/32/590016432.db2.gz BLNDJECHIZZINU-CMPLNLGQSA-N 1 3 234.347 1.306 20 0 BDADHO CC[C@H](C)[C@@H](C[NH2+]C[C@H]1CCN(CC)C1)OC ZINC000876942693 590259207 /nfs/dbraw/zinc/25/92/07/590259207.db2.gz BTQCPWLZVZSSDM-BFHYXJOUSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@@H](CNC[C@H]1CC[N@H+](CC)C1)OC ZINC000876942693 590259209 /nfs/dbraw/zinc/25/92/09/590259209.db2.gz BTQCPWLZVZSSDM-BFHYXJOUSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@@H](CNC[C@H]1CC[N@@H+](CC)C1)OC ZINC000876942693 590259211 /nfs/dbraw/zinc/25/92/11/590259211.db2.gz BTQCPWLZVZSSDM-BFHYXJOUSA-N 1 3 242.407 1.979 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1)C1CC1 ZINC000877741382 590409111 /nfs/dbraw/zinc/40/91/11/590409111.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H]2[C@H](CCN2C)C1)C1CC1 ZINC000877741382 590409114 /nfs/dbraw/zinc/40/91/14/590409114.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741382 590409118 /nfs/dbraw/zinc/40/91/18/590409118.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741382 590409122 /nfs/dbraw/zinc/40/91/22/590409122.db2.gz VLNLIRDDHFYOLF-HZSPNIEDSA-N 1 3 238.375 1.437 20 0 BDADHO CC[C@](C)(CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)OC ZINC000877743480 590412280 /nfs/dbraw/zinc/41/22/80/590412280.db2.gz WGQPEGDZYBIFOT-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@](C)(CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)OC ZINC000877743480 590412281 /nfs/dbraw/zinc/41/22/81/590412281.db2.gz WGQPEGDZYBIFOT-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000879572879 590801050 /nfs/dbraw/zinc/80/10/50/590801050.db2.gz KDMKFIIDQYQIMT-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000879572879 590801053 /nfs/dbraw/zinc/80/10/53/590801053.db2.gz KDMKFIIDQYQIMT-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CC3(O)CCCC3)CC[C@@H]21 ZINC000879573336 590809554 /nfs/dbraw/zinc/80/95/54/590809554.db2.gz NSZRPQUCIBEIKW-OLZOCXBDSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CC3(O)CCCC3)CC[C@@H]21 ZINC000879573336 590809559 /nfs/dbraw/zinc/80/95/59/590809559.db2.gz NSZRPQUCIBEIKW-OLZOCXBDSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+]1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570789 590809956 /nfs/dbraw/zinc/80/99/56/590809956.db2.gz FTVMTJHFUJUMPN-REWJHTLYSA-N 1 3 238.375 1.316 20 0 BDADHO C[N@H+]1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570789 590809958 /nfs/dbraw/zinc/80/99/58/590809958.db2.gz FTVMTJHFUJUMPN-REWJHTLYSA-N 1 3 238.375 1.316 20 0 BDADHO CN1CC[C@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574273 590813786 /nfs/dbraw/zinc/81/37/86/590813786.db2.gz YWKIONMQJYZVGP-RYUDHWBXSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574273 590813789 /nfs/dbraw/zinc/81/37/89/590813789.db2.gz YWKIONMQJYZVGP-RYUDHWBXSA-N 1 3 224.348 1.049 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580866 590822779 /nfs/dbraw/zinc/82/27/79/590822779.db2.gz VDCBAHXXZBFNKK-MELADBBJSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580866 590822781 /nfs/dbraw/zinc/82/27/81/590822781.db2.gz VDCBAHXXZBFNKK-MELADBBJSA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H](CO)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261847 590979729 /nfs/dbraw/zinc/97/97/29/590979729.db2.gz YVKJRZPLOREXAI-CHWSQXEVSA-N 1 3 249.358 1.221 20 0 BDADHO C[C@H](CO)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261849 590980850 /nfs/dbraw/zinc/98/08/50/590980850.db2.gz YVKJRZPLOREXAI-QWHCGFSZSA-N 1 3 249.358 1.221 20 0 BDADHO COCC[C@@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473360 591053193 /nfs/dbraw/zinc/05/31/93/591053193.db2.gz XGAVTMXDORDAOI-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CCCCOC(=O)CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442856 591669512 /nfs/dbraw/zinc/66/95/12/591669512.db2.gz UOMCBEDNSDWBKQ-MNOVXSKESA-N 1 3 242.363 1.435 20 0 BDADHO CCCCOC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000883442856 591669515 /nfs/dbraw/zinc/66/95/15/591669515.db2.gz UOMCBEDNSDWBKQ-MNOVXSKESA-N 1 3 242.363 1.435 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1cccc(CN)c1 ZINC000884358636 591912830 /nfs/dbraw/zinc/91/28/30/591912830.db2.gz USLIKIQOBWPGIU-VXGBXAGGSA-N 1 3 247.342 1.001 20 0 BDADHO CN(C)C1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885953865 592113438 /nfs/dbraw/zinc/11/34/38/592113438.db2.gz HRLCZPHNMSLKFM-TZMCWYRMSA-N 1 3 238.375 1.439 20 0 BDADHO C[NH+](C)C1CCN(C[C@H]2C[C@@]23CCOC3)CC1 ZINC000885953865 592113441 /nfs/dbraw/zinc/11/34/41/592113441.db2.gz HRLCZPHNMSLKFM-TZMCWYRMSA-N 1 3 238.375 1.439 20 0 BDADHO CN(C)C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885953862 592115244 /nfs/dbraw/zinc/11/52/44/592115244.db2.gz HRLCZPHNMSLKFM-GXTWGEPZSA-N 1 3 238.375 1.439 20 0 BDADHO C[NH+](C)C1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000885953862 592115246 /nfs/dbraw/zinc/11/52/46/592115246.db2.gz HRLCZPHNMSLKFM-GXTWGEPZSA-N 1 3 238.375 1.439 20 0 BDADHO C(C[C@H]1CCCO1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000886313100 592205834 /nfs/dbraw/zinc/20/58/34/592205834.db2.gz XSNCLKOMIIAARE-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[C@H]1CCCO1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000886313100 592205835 /nfs/dbraw/zinc/20/58/35/592205835.db2.gz XSNCLKOMIIAARE-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[C@H]1CCCO1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000886313101 592205893 /nfs/dbraw/zinc/20/58/93/592205893.db2.gz XSNCLKOMIIAARE-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[C@H]1CCCO1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000886313101 592205895 /nfs/dbraw/zinc/20/58/95/592205895.db2.gz XSNCLKOMIIAARE-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO CCC1(N2CCC2)CC[NH+](CC[C@H](C)O)CC1 ZINC000886717582 592310880 /nfs/dbraw/zinc/31/08/80/592310880.db2.gz CTDJVXRFUSZGAB-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1N ZINC000886837321 592358672 /nfs/dbraw/zinc/35/86/72/592358672.db2.gz FCYAUPCVXIOWLR-RQJABVFESA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@H]1N ZINC000886837321 592358677 /nfs/dbraw/zinc/35/86/77/592358677.db2.gz FCYAUPCVXIOWLR-RQJABVFESA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)CC[C@H]1[NH3+] ZINC000886837321 592358682 /nfs/dbraw/zinc/35/86/82/592358682.db2.gz FCYAUPCVXIOWLR-RQJABVFESA-N 1 3 238.375 1.472 20 0 BDADHO c1n[nH]cc1CCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876193 592379116 /nfs/dbraw/zinc/37/91/16/592379116.db2.gz WBTJPNTUAMUXRG-AWEZNQCLSA-N 1 3 248.374 1.418 20 0 BDADHO OCCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300414536 592511938 /nfs/dbraw/zinc/51/19/38/592511938.db2.gz LWHDFAATPMXIRW-KBPBESRZSA-N 1 3 240.391 1.756 20 0 BDADHO OCCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300414536 592511941 /nfs/dbraw/zinc/51/19/41/592511941.db2.gz LWHDFAATPMXIRW-KBPBESRZSA-N 1 3 240.391 1.756 20 0 BDADHO OCCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300414536 592511942 /nfs/dbraw/zinc/51/19/42/592511942.db2.gz LWHDFAATPMXIRW-KBPBESRZSA-N 1 3 240.391 1.756 20 0 BDADHO CCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588768 988158563 /nfs/dbraw/zinc/15/85/63/988158563.db2.gz XQTIKJSSXCLNDE-GRYCIOLGSA-N 1 3 214.353 1.207 20 0 BDADHO C1CC1[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925705533 634386638 /nfs/dbraw/zinc/38/66/38/634386638.db2.gz JWILOOIMEXQWRC-HZSPNIEDSA-N 1 3 238.375 1.533 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705270 634388095 /nfs/dbraw/zinc/38/80/95/634388095.db2.gz AYOMFNWNVGDVMH-GCHJQGSQSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705270 634388098 /nfs/dbraw/zinc/38/80/98/634388098.db2.gz AYOMFNWNVGDVMH-GCHJQGSQSA-N 1 3 222.332 1.166 20 0 BDADHO C1=C[C@H](C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925732232 634571677 /nfs/dbraw/zinc/57/16/77/634571677.db2.gz PDNCZBQZRILBGK-RYUDHWBXSA-N 1 3 206.333 1.827 20 0 BDADHO C1=C[C@@H](C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925732221 634571794 /nfs/dbraw/zinc/57/17/94/634571794.db2.gz PDNCZBQZRILBGK-NEPJUHHUSA-N 1 3 206.333 1.827 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 ZINC000925783247 635290085 /nfs/dbraw/zinc/29/00/85/635290085.db2.gz JIEDUROUHNOAFB-IKWCTNDRSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)O1 ZINC000925841805 635506316 /nfs/dbraw/zinc/50/63/16/635506316.db2.gz SWPHYNABLDVINQ-DHGKCCLASA-N 1 3 238.375 1.674 20 0 BDADHO [NH3+]CCCCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000085542388 631460636 /nfs/dbraw/zinc/46/06/36/631460636.db2.gz TXYMKJALLGGVQB-BETUJISGSA-N 1 3 226.364 1.759 20 0 BDADHO CC(C)CCN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056614 631832952 /nfs/dbraw/zinc/83/29/52/631832952.db2.gz QPWAYDLRONBAOO-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227612771 631882422 /nfs/dbraw/zinc/88/24/22/631882422.db2.gz RWLZTKUCEFFHQC-XQHKEYJVSA-N 1 3 226.364 1.255 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000235165675 632391339 /nfs/dbraw/zinc/39/13/39/632391339.db2.gz MALQGEAISUPWEJ-WRWGMCAJSA-N 1 3 228.405 1.988 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H](O)CC2CCCC2)C1 ZINC000310082813 632700276 /nfs/dbraw/zinc/70/02/76/632700276.db2.gz KQPKKVWPTIBQOL-UONOGXRCSA-N 1 3 240.391 1.598 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)C1CCOCC1 ZINC000235513619 632770365 /nfs/dbraw/zinc/77/03/65/632770365.db2.gz YVGZDIXEOAOPIS-CYZMBNFOSA-N 1 3 226.364 1.519 20 0 BDADHO Cc1ccc(O)c(CN2CCCC[C@@H]2CC[NH3+])n1 ZINC000091996150 632776125 /nfs/dbraw/zinc/77/61/25/632776125.db2.gz ITMUOURLWMJEIM-GFCCVEGCSA-N 1 3 249.358 1.799 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666357 632794580 /nfs/dbraw/zinc/79/45/80/632794580.db2.gz SWFLNFXPVPELKO-WISYIIOYSA-N 1 3 249.362 1.214 20 0 BDADHO [NH3+][C@H](CC(F)F)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309511191 633184631 /nfs/dbraw/zinc/18/46/31/633184631.db2.gz PJBTZBYSNSGAHW-OUAUKWLOSA-N 1 3 230.302 1.867 20 0 BDADHO Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)nc(N)n1 ZINC000310102137 634073563 /nfs/dbraw/zinc/07/35/63/634073563.db2.gz NUJQYQMPJUPIHF-JTQLQIEISA-N 1 3 237.351 1.508 20 0 BDADHO Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(N)n1 ZINC000310102137 634073568 /nfs/dbraw/zinc/07/35/68/634073568.db2.gz NUJQYQMPJUPIHF-JTQLQIEISA-N 1 3 237.351 1.508 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616606 634165082 /nfs/dbraw/zinc/16/50/82/634165082.db2.gz SFNANMGOXGSCJA-UHTWSYAYSA-N 1 3 246.358 1.127 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616606 634165085 /nfs/dbraw/zinc/16/50/85/634165085.db2.gz SFNANMGOXGSCJA-UHTWSYAYSA-N 1 3 246.358 1.127 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925618962 634173808 /nfs/dbraw/zinc/17/38/08/634173808.db2.gz XNNKUDWSHJTBQD-LBPRGKRZSA-N 1 3 238.375 1.677 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCC1(CF)CCOCC1 ZINC000925683350 634287073 /nfs/dbraw/zinc/28/70/73/634287073.db2.gz PDDLHIHLBMMUPK-VXGBXAGGSA-N 1 3 244.354 1.483 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925687568 634304524 /nfs/dbraw/zinc/30/45/24/634304524.db2.gz CUPWYYZDVVGERO-RTXFEEFZSA-N 1 3 248.374 1.211 20 0 BDADHO CC1(C)CCC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925692968 634330634 /nfs/dbraw/zinc/33/06/34/634330634.db2.gz PZGWJIPUMIPUPK-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H](Cc1cnccn1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925777495 635260724 /nfs/dbraw/zinc/26/07/24/635260724.db2.gz FBFQNJUEIONYBD-IJLUTSLNSA-N 1 3 234.347 1.267 20 0 BDADHO N#Cc1c(F)cccc1N1CCN2CCC1C2 ZINC000381668736 635345764 /nfs/dbraw/zinc/34/57/64/635345764.db2.gz GXZPAEAFNYAZDM-JTQLQIEISA-N 1 3 231.274 1.592 20 0 BDADHO N#Cc1c(F)cccc1N1CC[N@@H+]2CCC1C2 ZINC000381668736 635345768 /nfs/dbraw/zinc/34/57/68/635345768.db2.gz GXZPAEAFNYAZDM-JTQLQIEISA-N 1 3 231.274 1.592 20 0 BDADHO N#Cc1c(F)cccc1N1CC[N@H+]2CCC1C2 ZINC000381668736 635345771 /nfs/dbraw/zinc/34/57/71/635345771.db2.gz GXZPAEAFNYAZDM-JTQLQIEISA-N 1 3 231.274 1.592 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872145905 636573316 /nfs/dbraw/zinc/57/33/16/636573316.db2.gz YZBGPUNPYNKXHB-ITGHMWBKSA-N 1 3 238.375 1.804 20 0 BDADHO C[N@H+](C[C@@H]1CCCOC1)C[C@@]1(C)CCCNC1 ZINC000111179165 636967889 /nfs/dbraw/zinc/96/78/89/636967889.db2.gz DHRCZJPBOFCAJA-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](C[C@@H]1CCCOC1)C[C@@]1(C)CCCNC1 ZINC000111179165 636967898 /nfs/dbraw/zinc/96/78/98/636967898.db2.gz DHRCZJPBOFCAJA-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CN(C[C@@H]1CCCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000111179165 636967906 /nfs/dbraw/zinc/96/79/06/636967906.db2.gz DHRCZJPBOFCAJA-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704247 637011960 /nfs/dbraw/zinc/01/19/60/637011960.db2.gz CDSPJNFJYRBPCI-NWDGAFQWSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704247 637011962 /nfs/dbraw/zinc/01/19/62/637011962.db2.gz CDSPJNFJYRBPCI-NWDGAFQWSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704247 637011967 /nfs/dbraw/zinc/01/19/67/637011967.db2.gz CDSPJNFJYRBPCI-NWDGAFQWSA-N 1 3 249.358 1.780 20 0 BDADHO NC1CC([NH2+]CCCCOc2ccccc2)C1 ZINC000906511517 638185725 /nfs/dbraw/zinc/18/57/25/638185725.db2.gz YPEWSRFCQNHKFH-UHFFFAOYSA-N 1 3 234.343 1.925 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCC[C@H](C[NH3+])C2)O1 ZINC000149749753 639109678 /nfs/dbraw/zinc/10/96/78/639109678.db2.gz UUZLDKVZQWIUJM-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CN)O1 ZINC000149750769 639110332 /nfs/dbraw/zinc/11/03/32/639110332.db2.gz JUBNNJOMWWZCGI-QJPTWQEYSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CN)O1 ZINC000149750769 639110335 /nfs/dbraw/zinc/11/03/35/639110335.db2.gz JUBNNJOMWWZCGI-QJPTWQEYSA-N 1 3 212.337 1.367 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867869 639852698 /nfs/dbraw/zinc/85/26/98/639852698.db2.gz NVCMDZGZFDHHMS-QWRGUYRKSA-N 1 3 243.395 1.193 20 0 BDADHO C[C@H](C1CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931066265 640053753 /nfs/dbraw/zinc/05/37/53/640053753.db2.gz HRZIVFZWHHXMNQ-RISCZKNCSA-N 1 3 238.375 1.316 20 0 BDADHO C[C@H](C1CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931066265 640053759 /nfs/dbraw/zinc/05/37/59/640053759.db2.gz HRZIVFZWHHXMNQ-RISCZKNCSA-N 1 3 238.375 1.316 20 0 BDADHO CO[C@H]1CC[C@@H](N2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354614 640168736 /nfs/dbraw/zinc/16/87/36/640168736.db2.gz KZOZXVYBMJSJJT-OLZOCXBDSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@H]1CC[C@@H]([NH+]2CCC(C)(N(C)C)CC2)C1 ZINC000931354614 640168738 /nfs/dbraw/zinc/16/87/38/640168738.db2.gz KZOZXVYBMJSJJT-OLZOCXBDSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000924853532 640289046 /nfs/dbraw/zinc/28/90/46/640289046.db2.gz PABQWKWYKZWQGG-WDEREUQCSA-N 1 3 237.347 1.778 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000224228582 640604588 /nfs/dbraw/zinc/60/45/88/640604588.db2.gz ASTSOWGIOCLJMS-WCQYABFASA-N 1 3 220.316 1.001 20 0 BDADHO CC[C@H](O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891911 640712154 /nfs/dbraw/zinc/71/21/54/640712154.db2.gz AEQRISFKGSMSQF-AGIUHOORSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1CN ZINC000226344476 640750288 /nfs/dbraw/zinc/75/02/88/640750288.db2.gz UQFCYRZEUMVRAD-NWANDNLSSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H]1CN ZINC000226344476 640750293 /nfs/dbraw/zinc/75/02/93/640750293.db2.gz UQFCYRZEUMVRAD-NWANDNLSSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2cnn(C)c2)C1 ZINC000226422534 640762877 /nfs/dbraw/zinc/76/28/77/640762877.db2.gz LKLUOWMHUZADJF-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO CN(C[C@@H](O)CC(F)(F)F)CC(C)(C)C[NH3+] ZINC000307936219 641193814 /nfs/dbraw/zinc/19/38/14/641193814.db2.gz IIFOFLCUPBCUEO-QMMMGPOBSA-N 1 3 242.285 1.216 20 0 BDADHO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N)n1 ZINC000049056308 641708977 /nfs/dbraw/zinc/70/89/77/641708977.db2.gz VOZDWYJZRVUMMH-VIFPVBQESA-N 1 3 233.319 1.016 20 0 BDADHO Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N)n1 ZINC000049056308 641708982 /nfs/dbraw/zinc/70/89/82/641708982.db2.gz VOZDWYJZRVUMMH-VIFPVBQESA-N 1 3 233.319 1.016 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)n1 ZINC000049056306 641709431 /nfs/dbraw/zinc/70/94/31/641709431.db2.gz VOZDWYJZRVUMMH-SECBINFHSA-N 1 3 233.319 1.016 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N)n1 ZINC000049056306 641709436 /nfs/dbraw/zinc/70/94/36/641709436.db2.gz VOZDWYJZRVUMMH-SECBINFHSA-N 1 3 233.319 1.016 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C[C@H]1CN ZINC000253236313 642632417 /nfs/dbraw/zinc/63/24/17/642632417.db2.gz NPILWZJRIFCJCP-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C[C@H]1CN ZINC000253236313 642632421 /nfs/dbraw/zinc/63/24/21/642632421.db2.gz NPILWZJRIFCJCP-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO CC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCOCC1 ZINC000233019618 642643574 /nfs/dbraw/zinc/64/35/74/642643574.db2.gz RESQARMMQDRHCN-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO CC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCOCC1 ZINC000233022360 642643987 /nfs/dbraw/zinc/64/39/87/642643987.db2.gz LTGBCOGHUGUHTB-VXGBXAGGSA-N 1 3 226.364 1.520 20 0 BDADHO CCCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000306115900 642722227 /nfs/dbraw/zinc/72/22/27/642722227.db2.gz YUCGXFUNUUXCIZ-AWEZNQCLSA-N 1 3 239.407 1.546 20 0 BDADHO C[C@@H](CN[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969574 643090460 /nfs/dbraw/zinc/09/04/60/643090460.db2.gz AISRYUWLZDBIMI-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCOC1)CN1CCCC1 ZINC000070969574 643090462 /nfs/dbraw/zinc/09/04/62/643090462.db2.gz AISRYUWLZDBIMI-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[NH3+])C12CCCCC2 ZINC000083532410 643585050 /nfs/dbraw/zinc/58/50/50/643585050.db2.gz LGBVAXGNERNNQC-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccncc1 ZINC000084218143 643651389 /nfs/dbraw/zinc/65/13/89/643651389.db2.gz ZHTRZCMQAJFFHQ-VXGBXAGGSA-N 1 3 205.305 1.299 20 0 BDADHO C[N@@H+]1CCCC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000922283634 643953369 /nfs/dbraw/zinc/95/33/69/643953369.db2.gz FUFHUTUTUJIRAJ-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO C[N@H+]1CCCC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000922283634 643953373 /nfs/dbraw/zinc/95/33/73/643953373.db2.gz FUFHUTUTUJIRAJ-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CCCCCC[C@@H](O)CN(C)CCC[NH3+] ZINC000923291760 644325778 /nfs/dbraw/zinc/32/57/78/644325778.db2.gz RUZMPYOEIPVMOH-GFCCVEGCSA-N 1 3 216.369 1.598 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H](O)Cc2ccccc2)C1 ZINC000923281610 644313757 /nfs/dbraw/zinc/31/37/57/644313757.db2.gz QGCMHXWGKKCCHC-HUUCEWRRSA-N 1 3 248.370 1.261 20 0 BDADHO CC(C)CC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923280905 644314327 /nfs/dbraw/zinc/31/43/27/644314327.db2.gz JTCQATBAZRIOBN-NWDGAFQWSA-N 1 3 214.353 1.064 20 0 BDADHO CCN(Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923300281 644330709 /nfs/dbraw/zinc/33/07/09/644330709.db2.gz QACZIEAQELRPMD-IHRRRGAJSA-N 1 3 234.343 1.359 20 0 BDADHO [NH3+]C1(CNCCc2cccc(F)c2)CCC1 ZINC000923334952 644357396 /nfs/dbraw/zinc/35/73/96/644357396.db2.gz ZVZPKXXBIFINAE-UHFFFAOYSA-N 1 3 222.307 1.839 20 0 BDADHO CC(C)c1ccc([C@H](C)NC(CN)C[NH3+])cc1 ZINC000923359110 644371576 /nfs/dbraw/zinc/37/15/76/644371576.db2.gz LXMVOAAWAKQNLA-NSHDSACASA-N 1 3 235.375 1.747 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000923355805 644372712 /nfs/dbraw/zinc/37/27/12/644372712.db2.gz OGIAGOAKHYNXBF-GJZGRUSLSA-N 1 3 248.370 1.261 20 0 BDADHO CC(C)OCC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923366936 644379378 /nfs/dbraw/zinc/37/93/78/644379378.db2.gz BFRRMDBCVXHIHY-VXGBXAGGSA-N 1 3 246.395 1.125 20 0 BDADHO C[C@@H](NC[C@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376455 644391507 /nfs/dbraw/zinc/39/15/07/644391507.db2.gz AXEVGETUNHYUTL-VXGBXAGGSA-N 1 3 247.342 1.111 20 0 BDADHO CC(C)CC[C@@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923381523 644394997 /nfs/dbraw/zinc/39/49/97/644394997.db2.gz JFIGQVLHDLMKNW-JHJVBQTASA-N 1 3 228.380 1.643 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923422885 644419868 /nfs/dbraw/zinc/41/98/68/644419868.db2.gz URXRBSIDSBZJCY-YNEHKIRRSA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)CC1CCCC1 ZINC000923422885 644419873 /nfs/dbraw/zinc/41/98/73/644419873.db2.gz URXRBSIDSBZJCY-YNEHKIRRSA-N 1 3 240.391 1.643 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccncc1 ZINC000084215723 644420744 /nfs/dbraw/zinc/42/07/44/644420744.db2.gz MYQOIQDYXODKDU-STQMWFEESA-N 1 3 219.332 1.689 20 0 BDADHO C[C@H]1C[N@H+](C[C@]2(C)CCCNC2)C[C@H]1C ZINC000086015450 644456118 /nfs/dbraw/zinc/45/61/18/644456118.db2.gz WHTVMMTVUIIJGB-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1C[N@@H+](C[C@]2(C)CCCNC2)C[C@H]1C ZINC000086015450 644456124 /nfs/dbraw/zinc/45/61/24/644456124.db2.gz WHTVMMTVUIIJGB-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO Cc1cnc([C@@H](C)N2CC[C@H](CC[NH3+])C2)o1 ZINC000923482230 644460193 /nfs/dbraw/zinc/46/01/93/644460193.db2.gz XVWXWEGMZCIVTJ-MNOVXSKESA-N 1 3 223.320 1.715 20 0 BDADHO Cc1nccnc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923491029 644464977 /nfs/dbraw/zinc/46/49/77/644464977.db2.gz QBAUHZNULNOFKG-PWSUYJOCSA-N 1 3 234.347 1.202 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H](C2CCOCC2)C1 ZINC000923548932 644495234 /nfs/dbraw/zinc/49/52/34/644495234.db2.gz CKUFCHYEAWOISX-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO COc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149835 644535380 /nfs/dbraw/zinc/53/53/80/644535380.db2.gz QUBQNRYGLJNKQD-JSGCOSHPSA-N 1 3 234.343 1.912 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000251324880 644803272 /nfs/dbraw/zinc/80/32/72/644803272.db2.gz OODNOXPNNFINRG-AGIUHOORSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H]1CN(CCc2cccs2)CC[C@H]1[NH3+] ZINC000251891183 644830438 /nfs/dbraw/zinc/83/04/38/644830438.db2.gz VPECSFKSULBOID-CMPLNLGQSA-N 1 3 224.373 1.960 20 0 BDADHO [NH3+]Cc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647156799 644837046 /nfs/dbraw/zinc/83/70/46/644837046.db2.gz SDISKMRMVGAZLP-NSHDSACASA-N 1 3 244.298 1.620 20 0 BDADHO Cc1ccccc1OCC[NH2+]CC1(N)CCC1 ZINC000843367679 645286157 /nfs/dbraw/zinc/28/61/57/645286157.db2.gz IWTCBKJQHQKFSF-UHFFFAOYSA-N 1 3 234.343 1.845 20 0 BDADHO CCN(CC)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924529602 646050247 /nfs/dbraw/zinc/05/02/47/646050247.db2.gz VYQUIHFZKGTUAR-STQMWFEESA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H](NCCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000924539436 646058720 /nfs/dbraw/zinc/05/87/20/646058720.db2.gz KDBLRWSTCFPJSP-SNVBAGLBSA-N 1 3 223.320 1.390 20 0 BDADHO COCC[N@H+](C)CCCN[C@@H](C)C1(Cl)CC1 ZINC000924654313 646085609 /nfs/dbraw/zinc/08/56/09/646085609.db2.gz BJYKCEGDQPZYIU-NSHDSACASA-N 1 3 248.798 1.704 20 0 BDADHO COCC[N@@H+](C)CCCN[C@@H](C)C1(Cl)CC1 ZINC000924654313 646085611 /nfs/dbraw/zinc/08/56/11/646085611.db2.gz BJYKCEGDQPZYIU-NSHDSACASA-N 1 3 248.798 1.704 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925482116 646295179 /nfs/dbraw/zinc/29/51/79/646295179.db2.gz LFMXJOLOYSMHDI-IRCOFANPSA-N 1 3 226.364 1.253 20 0 BDADHO C[C@H]1NCCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000925487023 646297152 /nfs/dbraw/zinc/29/71/52/646297152.db2.gz ARLOHWDIXCQNMZ-DGCLKSJQSA-N 1 3 235.331 1.191 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN([C@@H](CC)CO)C1 ZINC000929777111 646304808 /nfs/dbraw/zinc/30/48/08/646304808.db2.gz AIENVEDEIDPKKG-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](CC)CO)C1 ZINC000929777111 646304813 /nfs/dbraw/zinc/30/48/13/646304813.db2.gz AIENVEDEIDPKKG-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)C(C)(C)C ZINC000925525933 646318043 /nfs/dbraw/zinc/31/80/43/646318043.db2.gz GIMULOBUXAJPQA-SDDRHHMPSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525933 646318047 /nfs/dbraw/zinc/31/80/47/646318047.db2.gz GIMULOBUXAJPQA-SDDRHHMPSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)[C@@H](NCC2(CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530833 646319697 /nfs/dbraw/zinc/31/96/97/646319697.db2.gz VUOBYUHZNGOZIN-WOPDTQHZSA-N 1 3 238.375 1.125 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(CO)CC1 ZINC000925530833 646319701 /nfs/dbraw/zinc/31/97/01/646319701.db2.gz VUOBYUHZNGOZIN-WOPDTQHZSA-N 1 3 238.375 1.125 20 0 BDADHO CC[C@H](CO)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000929847189 646358723 /nfs/dbraw/zinc/35/87/23/646358723.db2.gz LUYRGRCWVXRWIU-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](CO)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000929847189 646358727 /nfs/dbraw/zinc/35/87/27/646358727.db2.gz LUYRGRCWVXRWIU-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](CO)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614320 646362508 /nfs/dbraw/zinc/36/25/08/646362508.db2.gz WKSFKORJLZYFLY-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CO)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925614320 646362513 /nfs/dbraw/zinc/36/25/13/646362513.db2.gz WKSFKORJLZYFLY-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO CCOCCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925622451 646369709 /nfs/dbraw/zinc/36/97/09/646369709.db2.gz NLFORUADXYTNDD-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCNC12CCC2 ZINC000925623135 646369958 /nfs/dbraw/zinc/36/99/58/646369958.db2.gz OZAJMSRBSQZHKT-XQQFMLRXSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H](O)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925629291 646374716 /nfs/dbraw/zinc/37/47/16/646374716.db2.gz IPBKKDKOVLQIOX-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](O)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925629291 646374720 /nfs/dbraw/zinc/37/47/20/646374720.db2.gz IPBKKDKOVLQIOX-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO OCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925654124 646392638 /nfs/dbraw/zinc/39/26/38/646392638.db2.gz PYRHELAUNJYTQJ-NSHDSACASA-N 1 3 212.337 1.023 20 0 BDADHO CC(C)[C@H]([NH2+][C@@H]1CCNC12CCC2)C(C)(C)O ZINC000925660123 646396186 /nfs/dbraw/zinc/39/61/86/646396186.db2.gz ZZDBPWFBYVFGBP-NEPJUHHUSA-N 1 3 240.391 1.656 20 0 BDADHO FC1(F)CC(C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925672598 646402772 /nfs/dbraw/zinc/40/27/72/646402772.db2.gz IJSBAWAMBZGNES-SNVBAGLBSA-N 1 3 230.302 1.906 20 0 BDADHO OC[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000925688795 646414229 /nfs/dbraw/zinc/41/42/29/646414229.db2.gz FTEVQHAOZOWVQU-AGIUHOORSA-N 1 3 238.375 1.412 20 0 BDADHO [NH3+][C@H]1C[C@@H](NC[C@@H]2CCCO2)C12CCC2 ZINC000925708756 646433339 /nfs/dbraw/zinc/43/33/39/646433339.db2.gz RXYURRRVNDAPGO-GARJFASQSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000925708756 646433342 /nfs/dbraw/zinc/43/33/42/646433342.db2.gz RXYURRRVNDAPGO-GARJFASQSA-N 1 3 210.321 1.025 20 0 BDADHO CC1(C)[C@@H](N[C@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709255 646434659 /nfs/dbraw/zinc/43/46/59/646434659.db2.gz UNYNSTODLWUMHH-RHYQMDGZSA-N 1 3 220.360 1.905 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000925709255 646434660 /nfs/dbraw/zinc/43/46/60/646434660.db2.gz UNYNSTODLWUMHH-RHYQMDGZSA-N 1 3 220.360 1.905 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925709838 646435012 /nfs/dbraw/zinc/43/50/12/646435012.db2.gz OSVKUIGAZXRPPU-MCIONIFRSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925717376 646442820 /nfs/dbraw/zinc/44/28/20/646442820.db2.gz GARFFODFJRYBBY-MEBFFEOJSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925718138 646442937 /nfs/dbraw/zinc/44/29/37/646442937.db2.gz HJHBZACPRGANJE-AGIUHOORSA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccns1 ZINC000925730747 646454331 /nfs/dbraw/zinc/45/43/31/646454331.db2.gz IHDFRYFICFIQIB-RKDXNWHRSA-N 1 3 213.350 1.401 20 0 BDADHO C(N[C@H]1C[NH2+]CCOC1)C1CCC2(CC2)CC1 ZINC000925723818 646448578 /nfs/dbraw/zinc/44/85/78/646448578.db2.gz ZJARJMFUKDTPHZ-ZDUSSCGKSA-N 1 3 238.375 1.535 20 0 BDADHO C[C@H](NCc1cc(N)ccn1)[C@H]1CCCC[NH2+]1 ZINC000925765462 646466502 /nfs/dbraw/zinc/46/65/02/646466502.db2.gz BUFHFGIMVWCMNA-GXFFZTMASA-N 1 3 234.347 1.284 20 0 BDADHO C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CC2(CCC2)CO1 ZINC000925772149 646468746 /nfs/dbraw/zinc/46/87/46/646468746.db2.gz GEPNJLQPKXFEEW-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000925770414 646470222 /nfs/dbraw/zinc/47/02/22/646470222.db2.gz SYOZPSRLIDWIKG-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830112 646499537 /nfs/dbraw/zinc/49/95/37/646499537.db2.gz FNRSTHFDJRQOGN-AAVRWANBSA-N 1 3 238.375 1.663 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830114 646500100 /nfs/dbraw/zinc/50/01/00/646500100.db2.gz FNRSTHFDJRQOGN-REWJHTLYSA-N 1 3 238.375 1.663 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000925859785 646512289 /nfs/dbraw/zinc/51/22/89/646512289.db2.gz SBUXKTXAFIJBND-AGIUHOORSA-N 1 3 228.380 1.645 20 0 BDADHO CCOCCOCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000925875380 646526635 /nfs/dbraw/zinc/52/66/35/646526635.db2.gz SGQUOXIEFSHSKY-CHWSQXEVSA-N 1 3 244.379 1.017 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCCOC1 ZINC000926430807 646636736 /nfs/dbraw/zinc/63/67/36/646636736.db2.gz IRWUHHZUUSZSIM-PBWFPOADSA-N 1 3 236.359 1.263 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC1=CCCOC1 ZINC000926430807 646636740 /nfs/dbraw/zinc/63/67/40/646636740.db2.gz IRWUHHZUUSZSIM-PBWFPOADSA-N 1 3 236.359 1.263 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC1=CCCOC1 ZINC000926430807 646636742 /nfs/dbraw/zinc/63/67/42/646636742.db2.gz IRWUHHZUUSZSIM-PBWFPOADSA-N 1 3 236.359 1.263 20 0 BDADHO CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000926469212 646652569 /nfs/dbraw/zinc/65/25/69/646652569.db2.gz GODNUZQXVXDHJR-MCIONIFRSA-N 1 3 242.407 1.835 20 0 BDADHO CO[C@H]1C[C@@H](CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000721919450 711920147 /nfs/dbraw/zinc/92/01/47/711920147.db2.gz LUKKIOZBLHVARG-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H](CC[NH2+]C1CCC(C)(O)CC1)N(C)C ZINC000703004228 712064057 /nfs/dbraw/zinc/06/40/57/712064057.db2.gz XDUHQEFWOBAKCU-HIFPTAJRSA-N 1 3 228.380 1.610 20 0 BDADHO CN(C[C@@H]1CC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000708338526 712189106 /nfs/dbraw/zinc/18/91/06/712189106.db2.gz DLQLYUGQQBEQRL-NSHDSACASA-N 1 3 228.380 1.718 20 0 BDADHO C[C@H](CN(C)C[C@@H](O)C[NH3+])CC(C)(C)C ZINC000709133224 712209831 /nfs/dbraw/zinc/20/98/31/712209831.db2.gz YMHTUMKOUQUNEM-QWRGUYRKSA-N 1 3 216.369 1.310 20 0 BDADHO CC[C@@H]1COC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000711105697 712280611 /nfs/dbraw/zinc/28/06/11/712280611.db2.gz CZGCUNRSOLPHCD-NEPJUHHUSA-N 1 3 228.380 1.589 20 0 BDADHO N[C@H]1CCCCC[N@H+](CCOC2CC2)C1 ZINC000711775679 712328628 /nfs/dbraw/zinc/32/86/28/712328628.db2.gz AEKXWESSKPVMAA-NSHDSACASA-N 1 3 212.337 1.369 20 0 BDADHO N[C@H]1CCCCC[N@@H+](CCOC2CC2)C1 ZINC000711775679 712328629 /nfs/dbraw/zinc/32/86/29/712328629.db2.gz AEKXWESSKPVMAA-NSHDSACASA-N 1 3 212.337 1.369 20 0 BDADHO CCc1ncc(CN2CC[C@H](CC[NH3+])C2)o1 ZINC000923480161 712334402 /nfs/dbraw/zinc/33/44/02/712334402.db2.gz WAFSBGLCEGXOLM-JTQLQIEISA-N 1 3 223.320 1.408 20 0 BDADHO CC(C)CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000379704367 712392542 /nfs/dbraw/zinc/39/25/42/712392542.db2.gz RYBKXISKIMWPON-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000712557926 712445717 /nfs/dbraw/zinc/44/57/17/712445717.db2.gz OWGAEQBBDADNTN-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO CCN1CC[C@H]1CNc1cc[nH+]cc1C ZINC000712565564 712446340 /nfs/dbraw/zinc/44/63/40/712446340.db2.gz QOAZDBKQIUTHPE-NSHDSACASA-N 1 3 205.305 1.318 20 0 BDADHO CC1(C)CC[C@H](CN2CC[C@@H](C[NH3+])C2)OC1 ZINC000713592941 712466196 /nfs/dbraw/zinc/46/61/96/712466196.db2.gz OQDOYIKBVWPZAQ-NWDGAFQWSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H]2CCC(C)(C)CO2)C1 ZINC000713588934 712466219 /nfs/dbraw/zinc/46/62/19/712466219.db2.gz YGWQFHOKMFDBJT-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CN(CCCF)C[C@H]1CCCC[NH2+]C1 ZINC000716809924 712575771 /nfs/dbraw/zinc/57/57/71/712575771.db2.gz UBDRNEYFUJPQQE-NSHDSACASA-N 1 3 202.317 1.668 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1ncc[nH]1 ZINC000379854588 712616852 /nfs/dbraw/zinc/61/68/52/712616852.db2.gz BKJHXZOCHFZYIJ-ZJUUUORDSA-N 1 3 210.325 1.578 20 0 BDADHO CC1(C)[C@H](NC[C@@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000717614028 712662361 /nfs/dbraw/zinc/66/23/61/712662361.db2.gz LCLSFRBJQFLHEE-GARJFASQSA-N 1 3 226.364 1.517 20 0 BDADHO CC1(C)[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C[C@@H]1N ZINC000717614028 712662363 /nfs/dbraw/zinc/66/23/63/712662363.db2.gz LCLSFRBJQFLHEE-GARJFASQSA-N 1 3 226.364 1.517 20 0 BDADHO CSCC1CCN(CCC[NH3+])CC1 ZINC000719308615 712804170 /nfs/dbraw/zinc/80/41/70/712804170.db2.gz YRGGXIIWNPDSDI-UHFFFAOYSA-N 1 3 202.367 1.410 20 0 BDADHO C[NH2+]C1CCN(C[C@H](COC)C(C)C)CC1 ZINC000721912984 710692958 /nfs/dbraw/zinc/69/29/58/710692958.db2.gz NPSHUJRCYYPWDV-GFCCVEGCSA-N 1 3 228.380 1.589 20 0 BDADHO CO[C@H](C)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396544578 710906793 /nfs/dbraw/zinc/90/67/93/710906793.db2.gz BPOBAGGWMGOPOS-MXWKQRLJSA-N 1 3 200.326 1.142 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CCC[C@H]1OC ZINC000380700233 712902676 /nfs/dbraw/zinc/90/26/76/712902676.db2.gz KTGXJKROVJREHJ-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H]1OC ZINC000380700233 712902677 /nfs/dbraw/zinc/90/26/77/712902677.db2.gz KTGXJKROVJREHJ-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]1CCCCO1 ZINC000396602613 711359508 /nfs/dbraw/zinc/35/95/08/711359508.db2.gz NVNJLCCCBIMLJO-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1(C2CC2)CC1 ZINC000396708652 711367594 /nfs/dbraw/zinc/36/75/94/711367594.db2.gz OKBOFTFNFROMII-CMPLNLGQSA-N 1 3 208.349 1.907 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCCCCN1)C1CC1 ZINC000398144684 711403550 /nfs/dbraw/zinc/40/35/50/711403550.db2.gz XGAVMIMGVPEBHL-CHWSQXEVSA-N 1 3 226.364 1.533 20 0 BDADHO FC1(F)CC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000383195279 710978941 /nfs/dbraw/zinc/97/89/41/710978941.db2.gz XQVHLCQQYVYDJT-KKJSVHSVSA-N 1 3 242.313 1.618 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCN1CCCCC1 ZINC000396662839 711363234 /nfs/dbraw/zinc/36/32/34/711363234.db2.gz HPNXKUPOVZELRN-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO CC(C)COCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396689088 711364569 /nfs/dbraw/zinc/36/45/69/711364569.db2.gz ZQAMFEGNBYFYKM-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723627467 711526732 /nfs/dbraw/zinc/52/67/32/711526732.db2.gz DDAMORYRZBKPML-FDYHWXHSSA-N 1 3 226.364 1.376 20 0 BDADHO CCC[C@@H](C(=O)OCC)N1CC[C@@H](CC[NH3+])C1 ZINC000723711968 711535275 /nfs/dbraw/zinc/53/52/75/711535275.db2.gz BWEPGFUHDIDAEV-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)[C@@H](CC)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892290 711543950 /nfs/dbraw/zinc/54/39/50/711543950.db2.gz QYXKSQPQWIGNIL-IJLUTSLNSA-N 1 3 242.363 1.245 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H](N)C[C@@H]1C)C(C)C ZINC000721915818 711694174 /nfs/dbraw/zinc/69/41/74/711694174.db2.gz VUGPUCOZTGRKBL-AVGNSLFASA-N 1 3 228.380 1.717 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H](N)C[C@@H]1C)C(C)C ZINC000721915818 711694176 /nfs/dbraw/zinc/69/41/76/711694176.db2.gz VUGPUCOZTGRKBL-AVGNSLFASA-N 1 3 228.380 1.717 20 0 BDADHO CC[C@@H](NCc1cc(N)ccn1)[C@H]1CCCC[NH2+]1 ZINC000925767399 711739743 /nfs/dbraw/zinc/73/97/43/711739743.db2.gz ODZUDMPBMFSUGY-ZIAGYGMSSA-N 1 3 248.374 1.674 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CO[C@H](C3CC3)C2)C12CCC2 ZINC000700990872 712010848 /nfs/dbraw/zinc/01/08/48/712010848.db2.gz ISHZLJFCNCFJGX-RVMXOQNASA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCC2=CCCC2)C12CCC2 ZINC000702365258 712048800 /nfs/dbraw/zinc/04/88/00/712048800.db2.gz VMTOCLJYXUNOBZ-NWDGAFQWSA-N 1 3 206.333 1.956 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365258 712048801 /nfs/dbraw/zinc/04/88/01/712048801.db2.gz VMTOCLJYXUNOBZ-NWDGAFQWSA-N 1 3 206.333 1.956 20 0 BDADHO C[C@@H](NC1CCC(C)(O)CC1)[C@H]1CCCC[NH2+]1 ZINC000705832014 712136418 /nfs/dbraw/zinc/13/64/18/712136418.db2.gz SCHLDNKZAPEZQU-NELGMTEASA-N 1 3 240.391 1.800 20 0 BDADHO C[C@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000708859009 712201597 /nfs/dbraw/zinc/20/15/97/712201597.db2.gz SVTAQJMCUAKMBO-GXFFZTMASA-N 1 3 244.342 1.590 20 0 BDADHO CC1(C)C[C@@H](CN2CC[C@@H]([NH3+])C2)C(C)(C)O1 ZINC000709689618 712215510 /nfs/dbraw/zinc/21/55/10/712215510.db2.gz WNDXHNYZUWLRLL-WDEREUQCSA-N 1 3 226.364 1.613 20 0 BDADHO CC1(C)C[C@H](C[N@@H+]2CC[C@@H](CN)C2)C(C)(C)O1 ZINC000709687393 712215704 /nfs/dbraw/zinc/21/57/04/712215704.db2.gz PRRAMGNZXOOCNC-NWDGAFQWSA-N 1 3 240.391 1.861 20 0 BDADHO CC1(C)C[C@H](C[N@H+]2CC[C@@H](CN)C2)C(C)(C)O1 ZINC000709687393 712215705 /nfs/dbraw/zinc/21/57/05/712215705.db2.gz PRRAMGNZXOOCNC-NWDGAFQWSA-N 1 3 240.391 1.861 20 0 BDADHO C[N@H+](CCCN)C[C@H]1CC(C)(C)OC1(C)C ZINC000710275091 712250470 /nfs/dbraw/zinc/25/04/70/712250470.db2.gz AVDNGSGPQAAEJM-LLVKDONJSA-N 1 3 228.380 1.861 20 0 BDADHO C[N@@H+](CCCN)C[C@H]1CC(C)(C)OC1(C)C ZINC000710275091 712250472 /nfs/dbraw/zinc/25/04/72/712250472.db2.gz AVDNGSGPQAAEJM-LLVKDONJSA-N 1 3 228.380 1.861 20 0 BDADHO CN(CCC[NH3+])C[C@H]1CC(C)(C)OC1(C)C ZINC000710275091 712250473 /nfs/dbraw/zinc/25/04/73/712250473.db2.gz AVDNGSGPQAAEJM-LLVKDONJSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711458853 712304639 /nfs/dbraw/zinc/30/46/39/712304639.db2.gz YZDSOALUVWZOMZ-WDEREUQCSA-N 1 3 202.317 1.651 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@@H](CF)C1 ZINC000711458853 712304641 /nfs/dbraw/zinc/30/46/41/712304641.db2.gz YZDSOALUVWZOMZ-WDEREUQCSA-N 1 3 202.317 1.651 20 0 BDADHO CC[C@H](CO)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000379007782 712368069 /nfs/dbraw/zinc/36/80/69/712368069.db2.gz IFYCWOKJZFYWCS-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](CO)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000379007782 712368071 /nfs/dbraw/zinc/36/80/71/712368071.db2.gz IFYCWOKJZFYWCS-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCc1cc(NC[C@@H]2CCN2CC)cc[nH+]1 ZINC000712582918 712434123 /nfs/dbraw/zinc/43/41/23/712434123.db2.gz RUPOZBPNROYFLB-ZDUSSCGKSA-N 1 3 219.332 1.572 20 0 BDADHO CC1(C)CCNCC[N@@H+]1CCc1cccnc1 ZINC000712539600 712443449 /nfs/dbraw/zinc/44/34/49/712443449.db2.gz DIEYXRFQPILJPL-UHFFFAOYSA-N 1 3 233.359 1.698 20 0 BDADHO CC1(C)CCNCC[N@H+]1CCc1cccnc1 ZINC000712539600 712443451 /nfs/dbraw/zinc/44/34/51/712443451.db2.gz DIEYXRFQPILJPL-UHFFFAOYSA-N 1 3 233.359 1.698 20 0 BDADHO CC1(C)CC[C@@H](CN2CC[C@H](C[NH3+])C2)OC1 ZINC000713592940 712466291 /nfs/dbraw/zinc/46/62/91/712466291.db2.gz OQDOYIKBVWPZAQ-NEPJUHHUSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000714622850 712488671 /nfs/dbraw/zinc/48/86/71/712488671.db2.gz BULVSWBRPDLIMS-KKOKHZNYSA-N 1 3 212.337 1.128 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715493413 712523307 /nfs/dbraw/zinc/52/33/07/712523307.db2.gz BYFRHEVXVUFTFA-BFHYXJOUSA-N 1 3 238.375 1.615 20 0 BDADHO C[NH+](C)C1(C)CCC(NCc2cc[nH]n2)CC1 ZINC000715513497 712524939 /nfs/dbraw/zinc/52/49/39/712524939.db2.gz QTSQJLOADXTXAN-UHFFFAOYSA-N 1 3 236.363 1.762 20 0 BDADHO CC1(CC[NH2+][C@H]2CCCC[C@@H]2CN)OCCO1 ZINC000715926648 712542964 /nfs/dbraw/zinc/54/29/64/712542964.db2.gz KNPNMZYROSQMQB-NEPJUHHUSA-N 1 3 242.363 1.247 20 0 BDADHO CC1(CC[NH2+][C@@H]2CCCC[C@@H]2CN)OCCO1 ZINC000715926653 712543216 /nfs/dbraw/zinc/54/32/16/712543216.db2.gz KNPNMZYROSQMQB-VXGBXAGGSA-N 1 3 242.363 1.247 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1CNC1 ZINC000716666360 712569143 /nfs/dbraw/zinc/56/91/43/712569143.db2.gz XVQSKHYYDLLOJZ-HQPVMZNJSA-N 1 3 208.349 1.476 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1CNC1 ZINC000716666363 712569156 /nfs/dbraw/zinc/56/91/56/712569156.db2.gz XVQSKHYYDLLOJZ-YTCQTTRASA-N 1 3 208.349 1.476 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)C1CNC1 ZINC000717018740 712604608 /nfs/dbraw/zinc/60/46/08/712604608.db2.gz VRBPCDQWUVVBAV-ZPFDUUQYSA-N 1 3 208.349 1.620 20 0 BDADHO Cn1cnc(CNCC2(C)CC[NH+](C)CC2)c1 ZINC000379811164 712606157 /nfs/dbraw/zinc/60/61/57/712606157.db2.gz PIIVNHUZXYXNLJ-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000379817534 712611657 /nfs/dbraw/zinc/61/16/57/712611657.db2.gz RZHOVHSSWDRCFV-OPRDCNLKSA-N 1 3 232.418 1.304 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396704664 957183812 /nfs/dbraw/zinc/18/38/12/957183812.db2.gz OCXZKLILEUXFTG-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO Cc1c[nH+]c(N2C[C@H](C)N(C)C[C@H]2C)cc1N ZINC001164638111 719230231 /nfs/dbraw/zinc/23/02/31/719230231.db2.gz NFYUKROZCKPCQO-WDEREUQCSA-N 1 3 234.347 1.501 20 0 BDADHO FC1(C2CC2)CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000724801577 959313430 /nfs/dbraw/zinc/31/34/30/959313430.db2.gz ANHNDEDPXJYSCE-NSHDSACASA-N 1 3 226.339 1.810 20 0 BDADHO Cc1cc(CN(C)CC2CC[NH+](C)CC2)n[nH]1 ZINC001203075288 960671486 /nfs/dbraw/zinc/67/14/86/960671486.db2.gz CFOHVCAIEQGYMV-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO Cc1cc([C@@H]2CCCN2CCCC[NH3+])no1 ZINC001204847462 967195145 /nfs/dbraw/zinc/19/51/45/967195145.db2.gz BHKFEHRZBNWNST-LBPRGKRZSA-N 1 3 223.320 1.859 20 0 BDADHO Cc1ccc(CN2CCC(C[NH3+])CC2)c(N)n1 ZINC001205046630 967301264 /nfs/dbraw/zinc/30/12/64/967301264.db2.gz GHXPBLVDQDOONG-UHFFFAOYSA-N 1 3 234.347 1.143 20 0 BDADHO COC1CC(C[N@@H+]2CCC[C@@H](CN)C2)C1 ZINC000703840776 967877784 /nfs/dbraw/zinc/87/77/84/967877784.db2.gz FIBPLKIQCZDVDB-UNXYVOJBSA-N 1 3 212.337 1.082 20 0 BDADHO COC1CC(C[N@H+]2CCC[C@@H](CN)C2)C1 ZINC000703840776 967877786 /nfs/dbraw/zinc/87/77/86/967877786.db2.gz FIBPLKIQCZDVDB-UNXYVOJBSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(Cc2ncco2)CCC[C@@H]1C[NH3+] ZINC001206003762 967955357 /nfs/dbraw/zinc/95/53/57/967955357.db2.gz MHWLPEXEWKKADE-GHMZBOCLSA-N 1 3 223.320 1.481 20 0 BDADHO C[C@H](O)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001251973762 968413014 /nfs/dbraw/zinc/41/30/14/968413014.db2.gz LSCUURLDSGHIMW-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)CNC1CC[NH+](CC2CCC2)CC1 ZINC001251973762 968413019 /nfs/dbraw/zinc/41/30/19/968413019.db2.gz LSCUURLDSGHIMW-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO CN(C)CC(C)(C)C[N@H+](C)[C@@H]1CCOC1 ZINC001207286464 968716098 /nfs/dbraw/zinc/71/60/98/968716098.db2.gz SDTZMUSKXUZGLM-LLVKDONJSA-N 1 3 214.353 1.295 20 0 BDADHO CN(C)CC(C)(C)C[N@@H+](C)[C@@H]1CCOC1 ZINC001207286464 968716102 /nfs/dbraw/zinc/71/61/02/968716102.db2.gz SDTZMUSKXUZGLM-LLVKDONJSA-N 1 3 214.353 1.295 20 0 BDADHO CCC[C@@H](O)C[N@H+](C)CCCN1CCCC1 ZINC001252783676 968957319 /nfs/dbraw/zinc/95/73/19/968957319.db2.gz IQVQZERLLXFCLC-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CCC[C@@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC001252783676 968957332 /nfs/dbraw/zinc/95/73/32/968957332.db2.gz IQVQZERLLXFCLC-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CN(C)CC1(C[NH+]2CC(CO)C2)CCCC1 ZINC001208190620 969122802 /nfs/dbraw/zinc/12/28/02/969122802.db2.gz GZIACLCMYGGYMP-UHFFFAOYSA-N 1 3 226.364 1.033 20 0 BDADHO CC[NH+]1C[C@@H]2CN(CCCCOC)C[C@H]2C1 ZINC001209219704 969409858 /nfs/dbraw/zinc/40/98/58/969409858.db2.gz LYYINKXPVFSPNK-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO CN1CCC[C@@](C)([NH2+][C@@H]2CCCN(C)CC2)C1 ZINC001254512775 969682262 /nfs/dbraw/zinc/68/22/62/969682262.db2.gz RMAKGTIULXNLCM-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO CC(C)N1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516473 969688274 /nfs/dbraw/zinc/68/82/74/969688274.db2.gz MTWQBIYIXMTMJL-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)N1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516473 969688281 /nfs/dbraw/zinc/68/82/81/969688281.db2.gz MTWQBIYIXMTMJL-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN(CCC[NH+](C)C)[C@H](C)COC ZINC001255582926 970387595 /nfs/dbraw/zinc/38/75/95/970387595.db2.gz DYDITAFQCRYQBK-GFCCVEGCSA-N 1 3 216.369 1.685 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)CCO ZINC001255942201 970575963 /nfs/dbraw/zinc/57/59/63/970575963.db2.gz CPOWWJKZROEOPB-GFCCVEGCSA-N 1 3 230.396 1.857 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@H](OC)C1 ZINC001255942594 970577043 /nfs/dbraw/zinc/57/70/43/970577043.db2.gz GBJYLGAYXJJEQW-AVGNSLFASA-N 1 3 228.380 1.874 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC[C@@H](C)CO ZINC001255953361 970590379 /nfs/dbraw/zinc/59/03/79/970590379.db2.gz ZYPHVZROPPSHGP-OLZOCXBDSA-N 1 3 230.396 1.715 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956242 970592908 /nfs/dbraw/zinc/59/29/08/970592908.db2.gz IXLORQXPINXQOZ-MJBXVCDLSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956242 970592921 /nfs/dbraw/zinc/59/29/21/970592921.db2.gz IXLORQXPINXQOZ-MJBXVCDLSA-N 1 3 242.407 1.810 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CC[C@@H](CO)[C@H]1C ZINC001255956242 970592932 /nfs/dbraw/zinc/59/29/32/970592932.db2.gz IXLORQXPINXQOZ-MJBXVCDLSA-N 1 3 242.407 1.810 20 0 BDADHO CC[N@H+](CCN1CCCC1)C1CCN(C)CC1 ZINC001256207863 970713191 /nfs/dbraw/zinc/71/31/91/970713191.db2.gz WRYJHUFLKFGUFS-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO CC[N@@H+](CCN1CCCC1)C1CCN(C)CC1 ZINC001256207863 970713195 /nfs/dbraw/zinc/71/31/95/970713195.db2.gz WRYJHUFLKFGUFS-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C[N@H+]1C[C@H]2C[C@@H](C1)N(c1ccncc1)C2 ZINC001277693764 978204904 /nfs/dbraw/zinc/20/49/04/978204904.db2.gz LGQSCLILUKABKO-PWSUYJOCSA-N 1 3 203.289 1.222 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccoc1)CC2 ZINC001204244324 978703023 /nfs/dbraw/zinc/70/30/23/978703023.db2.gz YJOCRDATZGZKKK-UHFFFAOYSA-N 1 3 220.316 1.807 20 0 BDADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCCO ZINC001235973136 979238238 /nfs/dbraw/zinc/23/82/38/979238238.db2.gz LIKLTWUSTQNNIJ-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCCO ZINC001235973136 979238249 /nfs/dbraw/zinc/23/82/49/979238249.db2.gz LIKLTWUSTQNNIJ-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@H](N)C[N@H+](C)CC1COC(C)(C)OC1 ZINC001236861169 979767143 /nfs/dbraw/zinc/76/71/43/979767143.db2.gz UXNRVLURIQDPDK-NSHDSACASA-N 1 3 230.352 1.055 20 0 BDADHO CC[C@H](N)C[N@@H+](C)CC1COC(C)(C)OC1 ZINC001236861169 979767149 /nfs/dbraw/zinc/76/71/49/979767149.db2.gz UXNRVLURIQDPDK-NSHDSACASA-N 1 3 230.352 1.055 20 0 BDADHO C[NH2+][C@H](C)CCNCCC(C)(C)C(=O)OC ZINC001345103167 980549860 /nfs/dbraw/zinc/54/98/60/980549860.db2.gz DAEBEXYICCZNDN-SNVBAGLBSA-N 1 3 230.352 1.163 20 0 BDADHO [NH3+]CC1(F)CCN(Cc2ccncc2)CC1 ZINC001222532991 972556581 /nfs/dbraw/zinc/55/65/81/972556581.db2.gz QSKRVDQUAYFYBA-UHFFFAOYSA-N 1 3 223.295 1.344 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC001246584216 972954451 /nfs/dbraw/zinc/95/44/51/972954451.db2.gz TWZWUSTYZDPACN-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC001246584216 972954460 /nfs/dbraw/zinc/95/44/60/972954460.db2.gz TWZWUSTYZDPACN-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246769992 973089367 /nfs/dbraw/zinc/08/93/67/973089367.db2.gz MCQSAYOBCKQKOL-HHHUOAJASA-N 1 3 212.312 1.559 20 0 BDADHO CCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCOC1 ZINC000402708849 970838444 /nfs/dbraw/zinc/83/84/44/970838444.db2.gz RMBZBVLJEMFYJU-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CCOC1CCC([N@H+](C)C[C@H](C)CN)CC1 ZINC001256432240 970837638 /nfs/dbraw/zinc/83/76/38/970837638.db2.gz VEIGZZFQNKONRD-PNESKVBLSA-N 1 3 228.380 1.861 20 0 BDADHO CCOC1CCC([N@@H+](C)C[C@H](C)CN)CC1 ZINC001256432240 970837641 /nfs/dbraw/zinc/83/76/41/970837641.db2.gz VEIGZZFQNKONRD-PNESKVBLSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)(C)[NH+]1CCC(n2cncc2CN)CC1 ZINC001256554649 970858289 /nfs/dbraw/zinc/85/82/89/970858289.db2.gz KPIZRCYDMYYZCU-UHFFFAOYSA-N 1 3 236.363 1.777 20 0 BDADHO CO[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1C ZINC000234843714 973775301 /nfs/dbraw/zinc/77/53/01/973775301.db2.gz FIPIVYQXKZEJCS-QNWHQSFQSA-N 1 3 226.364 1.199 20 0 BDADHO F[C@@H]1C[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683390 970921983 /nfs/dbraw/zinc/92/19/83/970921983.db2.gz ZPYMCTGBNOBVSK-FIYWTHMPSA-N 1 3 242.338 1.330 20 0 BDADHO CNc1cc(Nc2cnc(C)n2C)cc[nH+]1 ZINC001216334191 971050903 /nfs/dbraw/zinc/05/09/03/971050903.db2.gz WWQQHLPQWNYTEE-UHFFFAOYSA-N 1 3 217.276 1.909 20 0 BDADHO CC(C)[NH+]1CCC(N(C)[C@H]2CCOC2)CC1 ZINC001257216778 971125124 /nfs/dbraw/zinc/12/51/24/971125124.db2.gz ILBILFYTSLQBFG-ZDUSSCGKSA-N 1 3 226.364 1.580 20 0 BDADHO CCO[C@@H]1CCN(C2CC[NH+](C(C)C)CC2)C1 ZINC001257224282 971125401 /nfs/dbraw/zinc/12/54/01/971125401.db2.gz WFUMKNWJINWTAA-CQSZACIVSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)[NH+]1CCC(N2C[C@@H](O)CC[C@H]2C)CC1 ZINC001257214348 971126113 /nfs/dbraw/zinc/12/61/13/971126113.db2.gz BTNOXVMMUAPXGR-OCCSQVGLSA-N 1 3 240.391 1.704 20 0 BDADHO CC(C)[NH+]1CCC(n2ccc([C@H](C)N)n2)CC1 ZINC001257207707 971128945 /nfs/dbraw/zinc/12/89/45/971128945.db2.gz DGFAQJHSCYVYSF-NSHDSACASA-N 1 3 236.363 1.948 20 0 BDADHO CC(C)[NH+]1CCC(N2C[C@H](O)CC[C@H]2C)CC1 ZINC001257214349 971129984 /nfs/dbraw/zinc/12/99/84/971129984.db2.gz BTNOXVMMUAPXGR-TZMCWYRMSA-N 1 3 240.391 1.704 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405218444 971209468 /nfs/dbraw/zinc/20/94/68/971209468.db2.gz AEUIBLAVLUQPBG-IJLUTSLNSA-N 1 3 224.348 1.271 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405218444 971209479 /nfs/dbraw/zinc/20/94/79/971209479.db2.gz AEUIBLAVLUQPBG-IJLUTSLNSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)CS1 ZINC000405340840 971238137 /nfs/dbraw/zinc/23/81/37/971238137.db2.gz CQESVXYMOQMUQZ-VPOLOUISSA-N 1 3 226.389 1.740 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405376581 971250280 /nfs/dbraw/zinc/25/02/80/971250280.db2.gz BNXRSQTVNUZZGN-UTUOFQBUSA-N 1 3 224.348 1.007 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCC2=CCOCC2)C12CCC2 ZINC000405411356 971254519 /nfs/dbraw/zinc/25/45/19/971254519.db2.gz ULAGDIOAHFKMQN-NWDGAFQWSA-N 1 3 222.332 1.193 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411356 971254527 /nfs/dbraw/zinc/25/45/27/971254527.db2.gz ULAGDIOAHFKMQN-NWDGAFQWSA-N 1 3 222.332 1.193 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCCOC2)C12CCC2 ZINC000405518019 971263334 /nfs/dbraw/zinc/26/33/34/971263334.db2.gz UWHFAFOSQSTVLJ-GMTAPVOTSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000405518019 971263346 /nfs/dbraw/zinc/26/33/46/971263346.db2.gz UWHFAFOSQSTVLJ-GMTAPVOTSA-N 1 3 210.321 1.025 20 0 BDADHO NC1CC([NH2+]C2CCC3(COC3)CC2)C1 ZINC001257901021 971533990 /nfs/dbraw/zinc/53/39/90/971533990.db2.gz UJVJREJVXIRBOM-UHFFFAOYSA-N 1 3 210.321 1.025 20 0 BDADHO CC1(C)N[C@H](CO[C@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936259 971538896 /nfs/dbraw/zinc/53/88/96/971538896.db2.gz DMNQBDHXNXUVBZ-MNOVXSKESA-N 1 3 242.363 1.258 20 0 BDADHO CC(C)C[NH+]1CCC(N2C[C@H](C)[C@H](O)C2)CC1 ZINC001258011118 971551151 /nfs/dbraw/zinc/55/11/51/971551151.db2.gz ISWFPDWZEUTCTC-GXTWGEPZSA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc2c1CNC2 ZINC001218042936 971583065 /nfs/dbraw/zinc/58/30/65/971583065.db2.gz APANNRGQPSXMJC-QMTHXVAHSA-N 1 3 232.327 1.667 20 0 BDADHO c1cc2c(c(O[C@H]3CCC34C[NH2+]C4)c1)CNC2 ZINC001218243012 971651027 /nfs/dbraw/zinc/65/10/27/971651027.db2.gz VQSNKLQZLYBPPN-ZDUSSCGKSA-N 1 3 230.311 1.421 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)C1 ZINC001206156409 974337542 /nfs/dbraw/zinc/33/75/42/974337542.db2.gz QOJBXOQDGKMBQV-RWMBFGLXSA-N 1 3 243.370 1.089 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)C1 ZINC001206156409 974337555 /nfs/dbraw/zinc/33/75/55/974337555.db2.gz QOJBXOQDGKMBQV-RWMBFGLXSA-N 1 3 243.370 1.089 20 0 BDADHO COCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099093 974335668 /nfs/dbraw/zinc/33/56/68/974335668.db2.gz FFXMQZAUIAIFLW-CNDDSTCGSA-N 1 3 212.337 1.238 20 0 BDADHO COCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099093 974335678 /nfs/dbraw/zinc/33/56/78/974335678.db2.gz FFXMQZAUIAIFLW-CNDDSTCGSA-N 1 3 212.337 1.238 20 0 BDADHO CN(C)c1cc[nH+]c(NCC2CN(C)C2)c1 ZINC001159218065 971745869 /nfs/dbraw/zinc/74/58/69/971745869.db2.gz LELIQRJYBXXESS-UHFFFAOYSA-N 1 3 220.320 1.121 20 0 BDADHO CCC(=O)C(C)(C)C[NH+]1CCC(F)(CN)CC1 ZINC001222526755 972541783 /nfs/dbraw/zinc/54/17/83/972541783.db2.gz FAIZVWWXWJKHAC-UHFFFAOYSA-N 1 3 244.354 1.755 20 0 BDADHO CC(C)[C@H](C)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219551723 972020249 /nfs/dbraw/zinc/02/02/49/972020249.db2.gz HJSDXMXCLFKSNE-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)OCC[C@H](C)NC1(C[NH3+])CC1 ZINC001172348590 974617002 /nfs/dbraw/zinc/61/70/02/974617002.db2.gz IUJQQFLZCOYJEM-WDEREUQCSA-N 1 3 214.353 1.661 20 0 BDADHO Cc1c2cc[nH]c2ncc1N[C@@H](N)CCC[NH3+] ZINC001170898589 972059714 /nfs/dbraw/zinc/05/97/14/972059714.db2.gz FLQVMSIFJLQAGR-LLVKDONJSA-N 1 3 233.319 1.259 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)CCC2 ZINC001170899731 972066634 /nfs/dbraw/zinc/06/66/34/972066634.db2.gz LYPSXKUZDPHXAV-ZDUSSCGKSA-N 1 3 219.332 1.611 20 0 BDADHO CNc1cccc(N[C@H](N)CCC[NH3+])c1C ZINC001170907154 972079616 /nfs/dbraw/zinc/07/96/16/972079616.db2.gz ZYTIADUAHGFFHB-LBPRGKRZSA-N 1 3 222.336 1.472 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC001246095671 972148977 /nfs/dbraw/zinc/14/89/77/972148977.db2.gz BXVTXZICJWQEOB-SDDRHHMPSA-N 1 3 226.364 1.389 20 0 BDADHO CCN1CC[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246105165 972169635 /nfs/dbraw/zinc/16/96/35/972169635.db2.gz MLKNLNPQOWKMRU-UPJWGTAASA-N 1 3 225.380 1.058 20 0 BDADHO CCN1CCN(C[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001208612520 957097148 /nfs/dbraw/zinc/09/71/48/957097148.db2.gz BIIRRFQHURZFDU-ZIAGYGMSSA-N 1 3 239.407 1.354 20 0 BDADHO CCN1CCN(C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001208612520 957097162 /nfs/dbraw/zinc/09/71/62/957097162.db2.gz BIIRRFQHURZFDU-ZIAGYGMSSA-N 1 3 239.407 1.354 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NCC[C@H](C)[NH3+])C2 ZINC001246303242 972264969 /nfs/dbraw/zinc/26/49/69/972264969.db2.gz FEQVKHXSZKTHQV-GWCFXTLKSA-N 1 3 234.343 1.489 20 0 BDADHO C[C@H]1C[C@H]1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001209426989 957447761 /nfs/dbraw/zinc/44/77/61/957447761.db2.gz HAIBRSPHLRUTQB-RYUDHWBXSA-N 1 3 208.349 1.670 20 0 BDADHO CC(C)CN(C(=O)[C@@H](C)N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188258 972296970 /nfs/dbraw/zinc/29/69/70/972296970.db2.gz QTHRJYCFGDLPKA-IJLUTSLNSA-N 1 3 241.379 1.088 20 0 BDADHO CC1CCN(CCN[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004414 958480220 /nfs/dbraw/zinc/48/02/20/958480220.db2.gz WCPNRRKYOVUOTC-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H]1CC[C@@H](NCCN2CCCCC2)C[NH2+]1 ZINC000399016546 958480912 /nfs/dbraw/zinc/48/09/12/958480912.db2.gz CJQIUPFPLHVUNT-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1CC[C@@H](NCCCCCCO)C[NH2+]1 ZINC000399038310 958490080 /nfs/dbraw/zinc/49/00/80/958490080.db2.gz PZKOWLSIMPCCAP-VXGBXAGGSA-N 1 3 214.353 1.269 20 0 BDADHO C[C@@H]1CC[C@H](NCCCC(C)(C)CO)C[NH2+]1 ZINC000399119681 958517336 /nfs/dbraw/zinc/51/73/36/958517336.db2.gz OIDZNQHKSRZCQO-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]1CC[C@@H](NCCCC(C)(C)CO)C[NH2+]1 ZINC000399119683 958518291 /nfs/dbraw/zinc/51/82/91/958518291.db2.gz OIDZNQHKSRZCQO-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCC2=CCCOC2)C12CCC2 ZINC000405237110 959421122 /nfs/dbraw/zinc/42/11/22/959421122.db2.gz FGLVSEMJUJDADK-NWDGAFQWSA-N 1 3 222.332 1.193 20 0 BDADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C=C(C)C ZINC001143932371 972429127 /nfs/dbraw/zinc/42/91/27/972429127.db2.gz SZHARWTVDXMQTC-UHFFFAOYSA-N 1 3 240.351 1.016 20 0 BDADHO CSC[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405327639 959439635 /nfs/dbraw/zinc/43/96/35/959439635.db2.gz VBSHWMXPAUYSSD-LPEHRKFASA-N 1 3 214.378 1.597 20 0 BDADHO Cc1ncc(CN2CCCC[C@@H](C[NH3+])C2)[nH]1 ZINC000724776541 959444044 /nfs/dbraw/zinc/44/40/44/959444044.db2.gz LIYRWLBOESYZDT-NSHDSACASA-N 1 3 222.336 1.279 20 0 BDADHO N[C@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000708503748 959525632 /nfs/dbraw/zinc/52/56/32/959525632.db2.gz KUWVNMXKWFIVFK-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO N[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000708503748 959525643 /nfs/dbraw/zinc/52/56/43/959525643.db2.gz KUWVNMXKWFIVFK-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO CC1(C)N[C@@H](CO[C@@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877866 959697864 /nfs/dbraw/zinc/69/78/64/959697864.db2.gz DFWFEOWTKSXTIX-WDEREUQCSA-N 1 3 242.363 1.116 20 0 BDADHO COC(=O)C1CCC([N@@H+]2CC[C@@](C)(N)C2)CC1 ZINC001246531685 972454524 /nfs/dbraw/zinc/45/45/24/972454524.db2.gz SAJSNZWNTKDRPL-GCZXYKMCSA-N 1 3 240.347 1.141 20 0 BDADHO COC(=O)C1CCC([N@H+]2CC[C@@](C)(N)C2)CC1 ZINC001246531685 972454526 /nfs/dbraw/zinc/45/45/26/972454526.db2.gz SAJSNZWNTKDRPL-GCZXYKMCSA-N 1 3 240.347 1.141 20 0 BDADHO C[C@@H]1CC[C@H](Oc2cccc3c2CNC3)C[NH2+]1 ZINC001218402822 960064648 /nfs/dbraw/zinc/06/46/48/960064648.db2.gz WJYAWNIBEDHEHH-PWSUYJOCSA-N 1 3 232.327 1.809 20 0 BDADHO Cc1cc(Cl)ccc1CNC(CN)C[NH3+] ZINC000695309468 960196549 /nfs/dbraw/zinc/19/65/49/960196549.db2.gz CVFNWPGWMKOYGR-UHFFFAOYSA-N 1 3 227.739 1.024 20 0 BDADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+]C(C)C ZINC001482162058 962188767 /nfs/dbraw/zinc/18/87/67/962188767.db2.gz PAAZTKITOPNLLS-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc3n2CCC3)C1 ZINC001206648688 962607274 /nfs/dbraw/zinc/60/72/74/962607274.db2.gz OKKICQKJFXAQKT-ZDUSSCGKSA-N 1 3 247.386 1.995 20 0 BDADHO Nc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154973850 962928521 /nfs/dbraw/zinc/92/85/21/962928521.db2.gz AJXWXNJMEAISBR-BDAKNGLRSA-N 1 3 206.293 1.346 20 0 BDADHO Cc1cc2[nH]ccc2c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001155038119 962944547 /nfs/dbraw/zinc/94/45/47/962944547.db2.gz KKOGQCNYOOARIY-UWVGGRQHSA-N 1 3 248.305 1.983 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1Nc1cc(N(C)C)ccn1 ZINC001155187834 963011658 /nfs/dbraw/zinc/01/16/58/963011658.db2.gz JJXDGRQNSABMMW-MWLCHTKSSA-N 1 3 220.320 1.310 20 0 BDADHO CN(C)c1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155584264 963117776 /nfs/dbraw/zinc/11/77/76/963117776.db2.gz ZACBZILAYVQDET-WOPDTQHZSA-N 1 3 246.358 1.558 20 0 BDADHO Cc1cc2[nH]ccc2c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001157447773 963609038 /nfs/dbraw/zinc/60/90/38/963609038.db2.gz KRASXVDUGGHPFT-PWSUYJOCSA-N 1 3 248.305 1.983 20 0 BDADHO C[C@H]1[C@H]([NH3+])CCCN1c1cc(N(C)C)ccn1 ZINC001157740967 963712020 /nfs/dbraw/zinc/71/20/20/963712020.db2.gz JAVCCNFHCNZFPP-CMPLNLGQSA-N 1 3 234.347 1.464 20 0 BDADHO c1cc2c(cc[nH+]c2N2CCN3CC[C@@H]3C2)[nH]1 ZINC001158426459 963869540 /nfs/dbraw/zinc/86/95/40/963869540.db2.gz ZYLSRZXDBXNZPB-SNVBAGLBSA-N 1 3 228.299 1.457 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCCOC1 ZINC000822123836 963939264 /nfs/dbraw/zinc/93/92/64/963939264.db2.gz GDCLUWSUZHSNNQ-RYUDHWBXSA-N 1 3 212.337 1.239 20 0 BDADHO CN(C)/C=C/c1ccncc1-n1cc(C[NH3+])cn1 ZINC001168261904 964083301 /nfs/dbraw/zinc/08/33/01/964083301.db2.gz RRLONIKOIAPKKP-GQCTYLIASA-N 1 3 243.314 1.258 20 0 BDADHO [NH3+]Cc1cnn(-c2c[nH]cc3ccnc2-3)c1 ZINC001168262086 964086010 /nfs/dbraw/zinc/08/60/10/964086010.db2.gz KOACXRRRBYTGHX-UHFFFAOYSA-N 1 3 213.244 1.207 20 0 BDADHO CC[C@H](C(=O)NCCC[NH2+]CC(C)C)N(C)C ZINC001160889632 964435345 /nfs/dbraw/zinc/43/53/45/964435345.db2.gz MSIJPBCNOZGNGT-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO C[NH+](C)C1CCC(N2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001168331108 964464297 /nfs/dbraw/zinc/46/42/97/964464297.db2.gz ZGWAXYAJRXOOIH-NWINJMCUSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H](CCNC[C@@H]1CCC=CO1)[NH+](C)C ZINC000697877619 964602185 /nfs/dbraw/zinc/60/21/85/964602185.db2.gz CCZZVLPGPCBZLG-NEPJUHHUSA-N 1 3 212.337 1.609 20 0 BDADHO CC(C)N(C)CC(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001142590530 964651445 /nfs/dbraw/zinc/65/14/45/964651445.db2.gz DKARTRIAZUYUPH-UHFFFAOYSA-N 1 3 243.395 1.301 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CCOC(C)(C)C1)N(C)C ZINC000697908901 964677088 /nfs/dbraw/zinc/67/70/88/964677088.db2.gz NVHXFAXEQJHNIL-RYUDHWBXSA-N 1 3 228.380 1.874 20 0 BDADHO CC1(CCN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000698094249 964997580 /nfs/dbraw/zinc/99/75/80/964997580.db2.gz ZPWOSDKYFUAYAA-OBPIAQAESA-N 1 3 220.360 1.763 20 0 BDADHO Cc1c(N)ccnc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162666717 965101113 /nfs/dbraw/zinc/10/11/13/965101113.db2.gz MFHPFZIRBIITQO-PSASIEDQSA-N 1 3 206.293 1.135 20 0 BDADHO C(C1CC1)[NH+]1CCC(N2CCN3CC[C@H]3C2)CC1 ZINC001168395235 965148519 /nfs/dbraw/zinc/14/85/19/965148519.db2.gz RVPHIDVWGCOZRI-HNNXBMFYSA-N 1 3 249.402 1.251 20 0 BDADHO NC(=[NH2+])c1nccn1-c1c[nH]cc2ccnc1-2 ZINC001168415764 965345152 /nfs/dbraw/zinc/34/51/52/965345152.db2.gz NRKIEZGLJNUHNU-UHFFFAOYSA-N 1 3 226.243 1.033 20 0 BDADHO NC(=[NH2+])c1nccn1-c1cncc2cc[nH]c21 ZINC001168415764 965345164 /nfs/dbraw/zinc/34/51/64/965345164.db2.gz NRKIEZGLJNUHNU-UHFFFAOYSA-N 1 3 226.243 1.033 20 0 BDADHO CN(CC[NH3+])c1ccc(CN(C)C2CC2)cn1 ZINC001163690721 965510618 /nfs/dbraw/zinc/51/06/18/965510618.db2.gz SPUGFEXVFVCVEI-UHFFFAOYSA-N 1 3 234.347 1.071 20 0 BDADHO C[NH2+]C1CN(c2ncccc2CN2CCCC2)C1 ZINC001163705016 965524959 /nfs/dbraw/zinc/52/49/59/965524959.db2.gz KRPOCCZVIIICBD-UHFFFAOYSA-N 1 3 246.358 1.085 20 0 BDADHO CC(C)N(CCC[NH3+])c1cccc(CN)n1 ZINC001164128907 965750434 /nfs/dbraw/zinc/75/04/34/965750434.db2.gz OHMXTQSJBXLEDJ-UHFFFAOYSA-N 1 3 222.336 1.104 20 0 BDADHO Cc1ccc(NOCC[NH3+])c(CN(C)C)c1 ZINC001164439680 965882549 /nfs/dbraw/zinc/88/25/49/965882549.db2.gz VTRGUNWOXUFRPE-UHFFFAOYSA-N 1 3 223.320 1.359 20 0 BDADHO Nc1cccc(N2CCC3(CC([NH3+])C3)CC2)n1 ZINC001165243430 966009132 /nfs/dbraw/zinc/00/91/32/966009132.db2.gz LJLFLOIWWFHKEI-UHFFFAOYSA-N 1 3 232.331 1.372 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNc2ccnc(CN)c2)C1 ZINC001165289681 966030089 /nfs/dbraw/zinc/03/00/89/966030089.db2.gz IJIOXBRZOJOTLJ-LBPRGKRZSA-N 1 3 248.374 1.684 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNc2ccnc(CN)c2)C1 ZINC001165289681 966030097 /nfs/dbraw/zinc/03/00/97/966030097.db2.gz IJIOXBRZOJOTLJ-LBPRGKRZSA-N 1 3 248.374 1.684 20 0 BDADHO [NH3+][C@@]12CC[C@H]1CN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001235994219 966213940 /nfs/dbraw/zinc/21/39/40/966213940.db2.gz UWTHLHYRFQKKCU-SMDDNHRTSA-N 1 3 242.326 1.486 20 0 BDADHO [NH3+][C@@]12CC[C@H]1CN(Cc1cc3cnccc3[nH]1)C2 ZINC001235994219 966213959 /nfs/dbraw/zinc/21/39/59/966213959.db2.gz UWTHLHYRFQKKCU-SMDDNHRTSA-N 1 3 242.326 1.486 20 0 BDADHO NCc1cc(-c2cccc3c2CC[NH2+]C3)ncn1 ZINC001236345539 966370694 /nfs/dbraw/zinc/37/06/94/966370694.db2.gz ZHGHMSIDDAGYIL-UHFFFAOYSA-N 1 3 240.310 1.248 20 0 BDADHO CC(C)C1(O)CN(CC2CC[NH+](C)CC2)C1 ZINC000691349271 967258389 /nfs/dbraw/zinc/25/83/89/967258389.db2.gz LGGSSJYFJSUOMJ-UHFFFAOYSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CC[N@H+]1C[C@H](O)C[C@H](N)C1)CC(C)(C)C ZINC001204955964 967258572 /nfs/dbraw/zinc/25/85/72/967258572.db2.gz MPEHMYGEKKQPSI-FRRDWIJNSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](CC[N@@H+]1C[C@H](O)C[C@H](N)C1)CC(C)(C)C ZINC001204955964 967258582 /nfs/dbraw/zinc/25/85/82/967258582.db2.gz MPEHMYGEKKQPSI-FRRDWIJNSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1c[nH]c2ccncc12 ZINC001205069005 967325762 /nfs/dbraw/zinc/32/57/62/967325762.db2.gz RSAGBQBDLOQPCZ-JQWIXIFHSA-N 1 3 244.342 1.875 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2cnccn2)CC1 ZINC001205546246 967686664 /nfs/dbraw/zinc/68/66/64/967686664.db2.gz SSHJWQFHNFBNPG-LBPRGKRZSA-N 1 3 238.310 1.130 20 0 BDADHO N[C@]1(C(F)(F)F)CCN(CCCCC[NH3+])C1 ZINC001206222468 968151787 /nfs/dbraw/zinc/15/17/87/968151787.db2.gz OUALAQVMTYAANN-SECBINFHSA-N 1 3 239.285 1.081 20 0 BDADHO C[C@]1(C[NH3+])CCC[N@H+](Cc2cncc([O-])c2)CC1 ZINC001206318057 968227657 /nfs/dbraw/zinc/22/76/57/968227657.db2.gz LVXFSESKYUXHPS-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@]1(C[NH3+])CCC[N@@H+](Cc2cncc([O-])c2)CC1 ZINC001206318057 968227668 /nfs/dbraw/zinc/22/76/68/968227668.db2.gz LVXFSESKYUXHPS-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO CN(C)CCC(C)(C)[NH2+]C[C@@H](O)C(F)(F)F ZINC001250996060 968242837 /nfs/dbraw/zinc/24/28/37/968242837.db2.gz PISFDUKUIMBIPY-MRVPVSSYSA-N 1 3 242.285 1.230 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012799 968551565 /nfs/dbraw/zinc/55/15/65/968551565.db2.gz ZAAVISJAPDTUAN-BETUJISGSA-N 1 3 247.342 1.171 20 0 BDADHO CCN1C[C@@H]2C[N@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012799 968551571 /nfs/dbraw/zinc/55/15/71/968551571.db2.gz ZAAVISJAPDTUAN-BETUJISGSA-N 1 3 247.342 1.171 20 0 BDADHO [NH3+]C[C@H]1CN(CCC2CC2)CCC1(F)F ZINC000403235152 968671942 /nfs/dbraw/zinc/67/19/42/968671942.db2.gz OAQDIYAEVKXKCE-JTQLQIEISA-N 1 3 218.291 1.702 20 0 BDADHO C[C@@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@@H]1O ZINC001207276297 968713208 /nfs/dbraw/zinc/71/32/08/968713208.db2.gz VCHNPHOWKPYTID-NEPJUHHUSA-N 1 3 228.380 1.277 20 0 BDADHO C[NH+]1CCC(CN2CCC(=O)C(C)(C)C2)CC1 ZINC001207398853 968749326 /nfs/dbraw/zinc/74/93/26/968749326.db2.gz RISJXJFVAFVRNU-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO Nc1nc2cc(C=C3CC[NH2+]CC3)ccc2[nH]1 ZINC001240876705 968785828 /nfs/dbraw/zinc/78/58/28/968785828.db2.gz FAOBOIZDQCTLLX-UHFFFAOYSA-N 1 3 228.299 1.912 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@H]1CCCOC1)CC2 ZINC001207471534 968792747 /nfs/dbraw/zinc/79/27/47/968792747.db2.gz PEFNMBKVIWISAO-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO CO[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829274883 968826030 /nfs/dbraw/zinc/82/60/30/968826030.db2.gz IFVZBKLZUZTLMK-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001207835422 968896118 /nfs/dbraw/zinc/89/61/18/968896118.db2.gz CBQBETLIYSJQOA-UMSGYPCISA-N 1 3 226.364 1.341 20 0 BDADHO CC(C)OC[C@H](O)CNC(C)(C)CC[NH+](C)C ZINC001252697357 968921037 /nfs/dbraw/zinc/92/10/37/968921037.db2.gz YHBSRZZDQPTSTF-GFCCVEGCSA-N 1 3 246.395 1.092 20 0 BDADHO C[NH+]1CCC(C)(CN2CC[C@](F)(CO)C2)CC1 ZINC001208107884 968999975 /nfs/dbraw/zinc/99/99/75/968999975.db2.gz LKRQXIVKPSKSJM-CYBMUJFWSA-N 1 3 244.354 1.125 20 0 BDADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187628 969102219 /nfs/dbraw/zinc/10/22/19/969102219.db2.gz FXAADIBSANZMMY-CYDGBPFRSA-N 1 3 244.354 1.121 20 0 BDADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187628 969102221 /nfs/dbraw/zinc/10/22/21/969102221.db2.gz FXAADIBSANZMMY-CYDGBPFRSA-N 1 3 244.354 1.121 20 0 BDADHO C[NH+](C)CC1(CN2CCC[C@@H](O)C2)CCCC1 ZINC001208182020 969112083 /nfs/dbraw/zinc/11/20/83/969112083.db2.gz KTDGDNRASIZTSN-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC[NH+]1CCC(CN2C[C@H](F)C[C@H]2CO)CC1 ZINC001208593221 969148848 /nfs/dbraw/zinc/14/88/48/969148848.db2.gz QMRUSVGLXQFQLV-OLZOCXBDSA-N 1 3 244.354 1.123 20 0 BDADHO CCN1CCC(C[N@@H+]2CC[C@H](C(C)=O)C2)CC1 ZINC001208603187 969155725 /nfs/dbraw/zinc/15/57/25/969155725.db2.gz VWRUDRBREQRMQG-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CCN1CCC(C[N@H+]2CC[C@H](C(C)=O)C2)CC1 ZINC001208603187 969155727 /nfs/dbraw/zinc/15/57/27/969155727.db2.gz VWRUDRBREQRMQG-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(C)CCC1 ZINC001253404102 969158676 /nfs/dbraw/zinc/15/86/76/969158676.db2.gz PZRXAILMKUVFEV-SNVBAGLBSA-N 1 3 214.353 1.268 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1(C)CCC1 ZINC001253404102 969158681 /nfs/dbraw/zinc/15/86/81/969158681.db2.gz PZRXAILMKUVFEV-SNVBAGLBSA-N 1 3 214.353 1.268 20 0 BDADHO CCCN(CCC[NH+](C)C)CCC(=O)OCC ZINC001209039127 969332599 /nfs/dbraw/zinc/33/25/99/969332599.db2.gz TXACVIGTYYQPPU-UHFFFAOYSA-N 1 3 244.379 1.603 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1cnccn1)C2 ZINC001169098927 969391395 /nfs/dbraw/zinc/39/13/95/969391395.db2.gz MMKWQFDWNSZAMB-ZSOGYDGISA-N 1 3 246.358 1.234 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1cnccn1)C2 ZINC001169098927 969391399 /nfs/dbraw/zinc/39/13/99/969391399.db2.gz MMKWQFDWNSZAMB-ZSOGYDGISA-N 1 3 246.358 1.234 20 0 BDADHO COCC[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209211470 969401816 /nfs/dbraw/zinc/40/18/16/969401816.db2.gz RBZGQIJGXBGFGO-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO COCC[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001209211470 969401819 /nfs/dbraw/zinc/40/18/19/969401819.db2.gz RBZGQIJGXBGFGO-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001169119521 969413414 /nfs/dbraw/zinc/41/34/14/969413414.db2.gz SYWYNAHVZIPPQV-IEECTRCBSA-N 1 3 242.338 1.328 20 0 BDADHO Cn1ccnc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169123080 969417868 /nfs/dbraw/zinc/41/78/68/969417868.db2.gz IRYRYOOMJKJUGL-CLLJXQQHSA-N 1 3 248.374 1.177 20 0 BDADHO C[C@@H]1COCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124204 969418839 /nfs/dbraw/zinc/41/88/39/969418839.db2.gz ASGGRXGJFFICMH-IGQOVBAYSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@@H]1COCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124204 969418843 /nfs/dbraw/zinc/41/88/43/969418843.db2.gz ASGGRXGJFFICMH-IGQOVBAYSA-N 1 3 238.375 1.580 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1ccncn1)C2 ZINC001169123098 969420588 /nfs/dbraw/zinc/42/05/88/969420588.db2.gz IZDLYRBLXYMBLT-BTTYYORXSA-N 1 3 246.358 1.234 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1ccncn1)C2 ZINC001169123098 969420592 /nfs/dbraw/zinc/42/05/92/969420592.db2.gz IZDLYRBLXYMBLT-BTTYYORXSA-N 1 3 246.358 1.234 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001169126417 969434727 /nfs/dbraw/zinc/43/47/27/969434727.db2.gz SVFJJDXQYBLDIK-ITGUQSILSA-N 1 3 236.359 1.334 20 0 BDADHO CN1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001169147067 969463452 /nfs/dbraw/zinc/46/34/52/969463452.db2.gz SMGFBRKHNKXTKQ-SBAKFKMJSA-N 1 3 249.402 1.105 20 0 BDADHO CN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001169147067 969463462 /nfs/dbraw/zinc/46/34/62/969463462.db2.gz SMGFBRKHNKXTKQ-SBAKFKMJSA-N 1 3 249.402 1.105 20 0 BDADHO CC[NH+]1CCC(NCCc2ncccn2)CC1 ZINC001169229905 969504529 /nfs/dbraw/zinc/50/45/29/969504529.db2.gz KXBUCLZGGANQCX-UHFFFAOYSA-N 1 3 234.347 1.093 20 0 BDADHO CN(C)C1(C)CN(CCC[NH+]2CCCCC2)C1 ZINC001209450483 969520446 /nfs/dbraw/zinc/52/04/46/969520446.db2.gz KNCHPXZMUYGBOQ-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@H](N)c1ccn(-c2cccc3c2CC[C@H]3[NH3+])n1 ZINC001169235761 969525484 /nfs/dbraw/zinc/52/54/84/969525484.db2.gz ZMTXSCLWFTUIOV-JOYOIKCWSA-N 1 3 242.326 1.838 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254381912 969595207 /nfs/dbraw/zinc/59/52/07/969595207.db2.gz ZIIUQBHBTJLOBJ-AGIUHOORSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCOC3)C[C@@H]2C1 ZINC001254381912 969595214 /nfs/dbraw/zinc/59/52/14/969595214.db2.gz ZIIUQBHBTJLOBJ-AGIUHOORSA-N 1 3 224.348 1.049 20 0 BDADHO CCCN(CCC[NH+](C)C)[C@H]1CCCOC1 ZINC001254389622 969606560 /nfs/dbraw/zinc/60/65/60/969606560.db2.gz RBWJBVDMTUTWTI-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254388751 969607898 /nfs/dbraw/zinc/60/78/98/969607898.db2.gz HWXINKHEZNNVSV-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254388751 969607902 /nfs/dbraw/zinc/60/79/02/969607902.db2.gz HWXINKHEZNNVSV-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CC[C@H](C[NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254836491 969798410 /nfs/dbraw/zinc/79/84/10/969798410.db2.gz LZWWNUQSCAKIOB-KGLIPLIRSA-N 1 3 237.391 1.012 20 0 BDADHO CN1CC[C@@H](C[NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254836493 969799754 /nfs/dbraw/zinc/79/97/54/969799754.db2.gz LZWWNUQSCAKIOB-UONOGXRCSA-N 1 3 237.391 1.012 20 0 BDADHO CN1CC2(C1)CC[NH+](C1CCOCC1)CC2 ZINC001255044057 969863581 /nfs/dbraw/zinc/86/35/81/969863581.db2.gz ITLLIOFVJNHGEQ-UHFFFAOYSA-N 1 3 224.348 1.193 20 0 BDADHO Cc1cnc(NC(=N)SCC[NH3+])cc1N ZINC001157130807 970095934 /nfs/dbraw/zinc/09/59/34/970095934.db2.gz NQLVREIGOOGVIO-UHFFFAOYSA-N 1 3 225.321 1.011 20 0 BDADHO CCC[N@H+](CCCN(C)C)[C@H]1CCCN(C)C1 ZINC001255494587 970260628 /nfs/dbraw/zinc/26/06/28/970260628.db2.gz IZHYHFDBGKKZHL-AWEZNQCLSA-N 1 3 241.423 1.744 20 0 BDADHO CCC[N@@H+](CCCN(C)C)[C@H]1CCCN(C)C1 ZINC001255494587 970260640 /nfs/dbraw/zinc/26/06/40/970260640.db2.gz IZHYHFDBGKKZHL-AWEZNQCLSA-N 1 3 241.423 1.744 20 0 BDADHO C[C@H]1COCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255674302 970451420 /nfs/dbraw/zinc/45/14/20/970451420.db2.gz ODSDQOGAHLNEAA-ICIURTGMSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H]1COCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255674302 970451430 /nfs/dbraw/zinc/45/14/30/970451430.db2.gz ODSDQOGAHLNEAA-ICIURTGMSA-N 1 3 238.375 1.722 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](CO)C(C)C ZINC001255941653 970568728 /nfs/dbraw/zinc/56/87/28/970568728.db2.gz WCKKKGWNIHGOLP-STQMWFEESA-N 1 3 230.396 1.713 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000400783449 970630012 /nfs/dbraw/zinc/63/00/12/970630012.db2.gz IFRCVLMTPKHINF-SRVKXCTJSA-N 1 3 243.395 1.206 20 0 BDADHO NCc1cn(C2CC[NH+](C3CC3)CC2)cn1 ZINC001256066101 970630487 /nfs/dbraw/zinc/63/04/87/970630487.db2.gz RJUVKXKNZQXFDV-UHFFFAOYSA-N 1 3 220.320 1.141 20 0 BDADHO CN1CC(CNc2ccc([C@@H]3CCC[NH2+]3)cn2)C1 ZINC001170252480 970661078 /nfs/dbraw/zinc/66/10/78/970661078.db2.gz NSHDEPMTYCIOAP-ZDUSSCGKSA-N 1 3 246.358 1.480 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC001256211389 970718091 /nfs/dbraw/zinc/71/80/91/970718091.db2.gz VULIADGHULVSQF-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC001256211389 970718101 /nfs/dbraw/zinc/71/81/01/970718101.db2.gz VULIADGHULVSQF-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000401867999 970744788 /nfs/dbraw/zinc/74/47/88/970744788.db2.gz AEFOSSZTUWHUGF-JHJVBQTASA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000401867999 970744799 /nfs/dbraw/zinc/74/47/99/970744799.db2.gz AEFOSSZTUWHUGF-JHJVBQTASA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401867999 970744812 /nfs/dbraw/zinc/74/48/12/970744812.db2.gz AEFOSSZTUWHUGF-JHJVBQTASA-N 1 3 226.364 1.484 20 0 BDADHO CCSC[C@@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545362 972628273 /nfs/dbraw/zinc/62/82/73/972628273.db2.gz JQBHIRVQVIQIHL-AXFHLTTASA-N 1 3 216.394 1.940 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CCN1 ZINC001246551911 972729484 /nfs/dbraw/zinc/72/94/84/972729484.db2.gz NVVWNFMKJMAQBY-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CCN1 ZINC001246551911 972729496 /nfs/dbraw/zinc/72/94/96/972729496.db2.gz NVVWNFMKJMAQBY-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(CF)C2)CCN1 ZINC001246573976 972865310 /nfs/dbraw/zinc/86/53/10/972865310.db2.gz HEACTTYDCUMSDT-WOPDTQHZSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(CF)C2)CCN1 ZINC001246573976 972865312 /nfs/dbraw/zinc/86/53/12/972865312.db2.gz HEACTTYDCUMSDT-WOPDTQHZSA-N 1 3 214.328 1.808 20 0 BDADHO CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579876 972919168 /nfs/dbraw/zinc/91/91/68/972919168.db2.gz HMMUSGYRGBYLFM-ZDEQEGDKSA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579876 972919175 /nfs/dbraw/zinc/91/91/75/972919175.db2.gz HMMUSGYRGBYLFM-ZDEQEGDKSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C(C)(C)C)CC1 ZINC000042463205 973051166 /nfs/dbraw/zinc/05/11/66/973051166.db2.gz ZDYCWARPQILZEW-ZDUSSCGKSA-N 1 3 241.423 1.776 20 0 BDADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246769992 973089353 /nfs/dbraw/zinc/08/93/53/973089353.db2.gz MCQSAYOBCKQKOL-HHHUOAJASA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC(n3cccn3)CC2)CC[NH2+]1 ZINC001246866220 973217053 /nfs/dbraw/zinc/21/70/53/973217053.db2.gz ISFKUCPRTHXRGS-OCCSQVGLSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@@H]1C[C@@H]([NH+]2CCC(n3cccn3)CC2)CCN1 ZINC001246866220 973217067 /nfs/dbraw/zinc/21/70/67/973217067.db2.gz ISFKUCPRTHXRGS-OCCSQVGLSA-N 1 3 248.374 1.661 20 0 BDADHO CN[C@H]1CCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904892 973384893 /nfs/dbraw/zinc/38/48/93/973384893.db2.gz YSVAFYMHWXHCFG-QWHCGFSZSA-N 1 3 237.391 1.693 20 0 BDADHO CC[C@@H](N)C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119984 973455768 /nfs/dbraw/zinc/45/57/68/973455768.db2.gz WDEPRIADUISTSD-SCRDCRAPSA-N 1 3 245.370 1.865 20 0 BDADHO CC[C@@H](N)C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119984 973455774 /nfs/dbraw/zinc/45/57/74/973455774.db2.gz WDEPRIADUISTSD-SCRDCRAPSA-N 1 3 245.370 1.865 20 0 BDADHO NCc1cc(NC[C@@H]2CCCC[NH2+]2)ccn1 ZINC001171333076 973860800 /nfs/dbraw/zinc/86/08/00/973860800.db2.gz AXYALODFFWTBQB-NSHDSACASA-N 1 3 220.320 1.094 20 0 BDADHO CN1CC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224704449 973871598 /nfs/dbraw/zinc/87/15/98/973871598.db2.gz YXEVTHAJHSAGNP-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224704449 973871600 /nfs/dbraw/zinc/87/16/00/973871600.db2.gz YXEVTHAJHSAGNP-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO CCCCC[NH2+]CCNC(=O)CN(C)CCC ZINC001148642075 973872685 /nfs/dbraw/zinc/87/26/85/973872685.db2.gz DPSHCTCJFGMMBB-UHFFFAOYSA-N 1 3 243.395 1.224 20 0 BDADHO [NH3+]CCCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC001329923970 974025515 /nfs/dbraw/zinc/02/55/15/974025515.db2.gz NGQMSDKTCDHZSH-ZDUSSCGKSA-N 1 3 247.342 1.076 20 0 BDADHO Cn1cccc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156898 974331512 /nfs/dbraw/zinc/33/15/12/974331512.db2.gz UBCRXLLWBYSJSK-RYUDHWBXSA-N 1 3 225.311 1.286 20 0 BDADHO Cn1cccc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156898 974331526 /nfs/dbraw/zinc/33/15/26/974331526.db2.gz UBCRXLLWBYSJSK-RYUDHWBXSA-N 1 3 225.311 1.286 20 0 BDADHO Cn1cncc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172099460 974340249 /nfs/dbraw/zinc/34/02/49/974340249.db2.gz IAKYWOJILNKNLX-XYYAHUGASA-N 1 3 248.374 1.525 20 0 BDADHO CN(C)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172099474 974341085 /nfs/dbraw/zinc/34/10/85/974341085.db2.gz IGCUJBNSOKVXGQ-XYYAHUGASA-N 1 3 225.380 1.153 20 0 BDADHO CCC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)COC1 ZINC001172108172 974368716 /nfs/dbraw/zinc/36/87/16/974368716.db2.gz QVNDUHKMWPJDRG-XYYAHUGASA-N 1 3 238.375 1.770 20 0 BDADHO CCC[N@H+](CCCN)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232677 974473168 /nfs/dbraw/zinc/47/31/68/974473168.db2.gz KRSBBZNMKNSPNB-YHWZYXNKSA-N 1 3 224.348 1.533 20 0 BDADHO CCC[N@@H+](CCCN)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172232677 974473177 /nfs/dbraw/zinc/47/31/77/974473177.db2.gz KRSBBZNMKNSPNB-YHWZYXNKSA-N 1 3 224.348 1.533 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CSc2ccccc2C1 ZINC001172199449 974482501 /nfs/dbraw/zinc/48/25/01/974482501.db2.gz FHLFOHIOWHBILN-CMPLNLGQSA-N 1 3 236.384 1.888 20 0 BDADHO CN1CC2(C1)CC[NH+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172242895 974508611 /nfs/dbraw/zinc/50/86/11/974508611.db2.gz DVHMRONAUPTULB-AGUYFDCRSA-N 1 3 248.370 1.500 20 0 BDADHO C[NH2+][C@H](C)CCNCC1(OC)CCCC1 ZINC001331847599 974837029 /nfs/dbraw/zinc/83/70/29/974837029.db2.gz OGXJHBKIMULNDP-LLVKDONJSA-N 1 3 214.353 1.533 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC001332402823 975095407 /nfs/dbraw/zinc/09/54/07/975095407.db2.gz SPRGRCNCXHKQBE-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO CC[N@@H+]1CC[C@@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001173365468 975345547 /nfs/dbraw/zinc/34/55/47/975345547.db2.gz ISCPINRJQWWBIP-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CC[N@H+]1CC[C@@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001173365468 975345556 /nfs/dbraw/zinc/34/55/56/975345556.db2.gz ISCPINRJQWWBIP-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CNc2ccncc2CO)C1 ZINC001333645281 975921740 /nfs/dbraw/zinc/92/17/40/975921740.db2.gz DSHWCLPJLMPSPF-LBPRGKRZSA-N 1 3 249.358 1.140 20 0 BDADHO CC[N@H+]1CCC[C@@H](CNc2ccncc2CO)C1 ZINC001333645281 975921757 /nfs/dbraw/zinc/92/17/57/975921757.db2.gz DSHWCLPJLMPSPF-LBPRGKRZSA-N 1 3 249.358 1.140 20 0 BDADHO CC[N@H+](CCNc1ccncc1CO)C(C)C ZINC001334143311 976327850 /nfs/dbraw/zinc/32/78/50/976327850.db2.gz XTUWYNMHLFPJPQ-UHFFFAOYSA-N 1 3 237.347 1.138 20 0 BDADHO CC[N@@H+](CCNc1ccncc1CO)C(C)C ZINC001334143311 976327865 /nfs/dbraw/zinc/32/78/65/976327865.db2.gz XTUWYNMHLFPJPQ-UHFFFAOYSA-N 1 3 237.347 1.138 20 0 BDADHO CSC[C@H](O)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC001335433202 977057560 /nfs/dbraw/zinc/05/75/60/977057560.db2.gz RWNLROOTPBGSLK-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@H](O)CNC[C@H]1CCCC[N@H+](C)C1 ZINC001335433202 977057572 /nfs/dbraw/zinc/05/75/72/977057572.db2.gz RWNLROOTPBGSLK-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@H](O)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC001335433202 977057583 /nfs/dbraw/zinc/05/75/83/977057583.db2.gz RWNLROOTPBGSLK-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO CC(C)CC[C@H](O)CNCC[C@H](C)[NH+](C)C ZINC001336780153 977950975 /nfs/dbraw/zinc/95/09/75/977950975.db2.gz XVEDPSAYTSCQME-STQMWFEESA-N 1 3 230.396 1.713 20 0 BDADHO CC(C)CC[C@@H](O)CNCC[C@H](C)[NH+](C)C ZINC001336780152 977953561 /nfs/dbraw/zinc/95/35/61/977953561.db2.gz XVEDPSAYTSCQME-QWHCGFSZSA-N 1 3 230.396 1.713 20 0 BDADHO CN1C[C@H]2C[C@@H](C1)N(c1cc[nH+]cc1)C2 ZINC001277693764 978204888 /nfs/dbraw/zinc/20/48/88/978204888.db2.gz LGQSCLILUKABKO-PWSUYJOCSA-N 1 3 203.289 1.222 20 0 BDADHO C[N@@H+]1C[C@H]2C[C@@H](C1)N(c1ccncc1)C2 ZINC001277693764 978204893 /nfs/dbraw/zinc/20/48/93/978204893.db2.gz LGQSCLILUKABKO-PWSUYJOCSA-N 1 3 203.289 1.222 20 0 BDADHO N[C@@]12C[C@@H]1CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001235156237 978981342 /nfs/dbraw/zinc/98/13/42/978981342.db2.gz NHQKHUSSZYMOCH-RWMBFGLXSA-N 1 3 206.333 1.766 20 0 BDADHO N[C@@]12C[C@@H]1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001235156237 978981345 /nfs/dbraw/zinc/98/13/45/978981345.db2.gz NHQKHUSSZYMOCH-RWMBFGLXSA-N 1 3 206.333 1.766 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC001235980494 979246127 /nfs/dbraw/zinc/24/61/27/979246127.db2.gz PRVNLFAJTBQILH-TUAOUCFPSA-N 1 3 208.305 1.102 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC001235980494 979246140 /nfs/dbraw/zinc/24/61/40/979246140.db2.gz PRVNLFAJTBQILH-TUAOUCFPSA-N 1 3 208.305 1.102 20 0 BDADHO CC(C)([NH3+])c1ccc(NC(=O)C2(N)CCC2)cc1 ZINC001341483021 979432267 /nfs/dbraw/zinc/43/22/67/979432267.db2.gz MAALNWSSZPKMTM-UHFFFAOYSA-N 1 3 247.342 1.700 20 0 BDADHO CC[C@H]1CN(Cc2ccccc2)CCN1CC[NH3+] ZINC001236253397 979470058 /nfs/dbraw/zinc/47/00/58/979470058.db2.gz NCBBDSLKSXVEBW-HNNXBMFYSA-N 1 3 247.386 1.542 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766309 979552082 /nfs/dbraw/zinc/55/20/82/979552082.db2.gz NOXHDGSLFHVKNN-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)([NH3+])c1ccc(NC(=O)C2(N)CC2)cc1 ZINC001342260406 979741288 /nfs/dbraw/zinc/74/12/88/979741288.db2.gz RQOJKPDVEBLCIW-UHFFFAOYSA-N 1 3 233.315 1.310 20 0 BDADHO CN1CC2(C1)CCCN(CC[NH+]1CCCC1)C2 ZINC001278055503 979821502 /nfs/dbraw/zinc/82/15/02/979821502.db2.gz FTOXZVXHXHQKAW-UHFFFAOYSA-N 1 3 237.391 1.110 20 0 BDADHO CN1CC2(C1)CCC[N@H+](CCN1CCCC1)C2 ZINC001278055503 979821506 /nfs/dbraw/zinc/82/15/06/979821506.db2.gz FTOXZVXHXHQKAW-UHFFFAOYSA-N 1 3 237.391 1.110 20 0 BDADHO CN1CC2(C1)CCC[N@@H+](CCN1CCCC1)C2 ZINC001278055503 979821507 /nfs/dbraw/zinc/82/15/07/979821507.db2.gz FTOXZVXHXHQKAW-UHFFFAOYSA-N 1 3 237.391 1.110 20 0 BDADHO C[C@@H](N)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001342545566 979827669 /nfs/dbraw/zinc/82/76/69/979827669.db2.gz XAQCRYOXIUFCJB-LLVKDONJSA-N 1 3 241.379 1.010 20 0 BDADHO CCN1C[C@H]2C[NH+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222695 979850673 /nfs/dbraw/zinc/85/06/73/979850673.db2.gz GPYCOTXFIDALNM-KBPBESRZSA-N 1 3 245.370 1.652 20 0 BDADHO CCC1(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237376075 979878536 /nfs/dbraw/zinc/87/85/36/979878536.db2.gz OPGQHGWMTMTZAU-QWHCGFSZSA-N 1 3 238.375 1.487 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@H](C)OC ZINC001184417315 980081427 /nfs/dbraw/zinc/08/14/27/980081427.db2.gz AKKFSYPURKOMFG-RYUDHWBXSA-N 1 3 216.369 1.731 20 0 BDADHO CN1CC2(C1)CC[NH+](CCCCF)CC2 ZINC001278205839 980227890 /nfs/dbraw/zinc/22/78/90/980227890.db2.gz AKFHSZLXBAIJII-UHFFFAOYSA-N 1 3 214.328 1.764 20 0 BDADHO c1cc(C2=CCC[NH2+]CC2)nc2c1CNCCO2 ZINC001238937678 980374168 /nfs/dbraw/zinc/37/41/68/980374168.db2.gz BGNAINLYGOBGBI-UHFFFAOYSA-N 1 3 245.326 1.330 20 0 BDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1CNC2 ZINC001344590163 980438192 /nfs/dbraw/zinc/43/81/92/980438192.db2.gz JXXUZCRZTDENTJ-ONGXEEELSA-N 1 3 245.326 1.226 20 0 BDADHO Cc1cccc([C@H](O)CNC[C@H]2CC[N@@H+](C)C2)c1 ZINC001346192557 980780417 /nfs/dbraw/zinc/78/04/17/980780417.db2.gz WCOQLLBKGXNOIA-UKRRQHHQSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1cccc([C@H](O)CNC[C@H]2CC[N@H+](C)C2)c1 ZINC001346192557 980780421 /nfs/dbraw/zinc/78/04/21/980780421.db2.gz WCOQLLBKGXNOIA-UKRRQHHQSA-N 1 3 248.370 1.570 20 0 BDADHO CN(C)Cc1ccnc(C2=CCC[NH2+]C2)c1 ZINC001240656945 981567329 /nfs/dbraw/zinc/56/73/29/981567329.db2.gz PNHDGZBEBBPBGJ-UHFFFAOYSA-N 1 3 217.316 1.520 20 0 BDADHO O[C@]1(CN[C@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880740 981687217 /nfs/dbraw/zinc/68/72/17/981687217.db2.gz XDTGQRKXWSHPDS-WCQYABFASA-N 1 3 224.348 1.023 20 0 BDADHO c1ccc([C@@H]2CCN2CCN2CC[NH2+]CC2)cc1 ZINC001580892652 981726180 /nfs/dbraw/zinc/72/61/80/981726180.db2.gz AZNHFPXJRPPUDM-HNNXBMFYSA-N 1 3 245.370 1.339 20 0 BDADHO CCC1([NH3+])CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC001349883722 981805363 /nfs/dbraw/zinc/80/53/63/981805363.db2.gz OSFIWNTWBOAURT-SNVBAGLBSA-N 1 3 241.379 1.090 20 0 BDADHO NC[C@]12CC[C@H]1CC[N@@H+]2CCOCC1CC1 ZINC001352777522 982574995 /nfs/dbraw/zinc/57/49/95/982574995.db2.gz GVIAQHWVIZPAPM-QWHCGFSZSA-N 1 3 224.348 1.226 20 0 BDADHO NC[C@]12CC[C@H]1CC[N@H+]2CCOCC1CC1 ZINC001352777522 982575005 /nfs/dbraw/zinc/57/50/05/982575005.db2.gz GVIAQHWVIZPAPM-QWHCGFSZSA-N 1 3 224.348 1.226 20 0 BDADHO [NH3+]Cc1ccc(-c2ncc3c(n2)CCNC3)cc1 ZINC001241912228 983127725 /nfs/dbraw/zinc/12/77/25/983127725.db2.gz ZUMMJEDODMXTAY-UHFFFAOYSA-N 1 3 240.310 1.248 20 0 BDADHO CC1CC(C[NH2+]C[C@H](O)CNC(C)(C)C)C1 ZINC001253384035 984140566 /nfs/dbraw/zinc/14/05/66/984140566.db2.gz MLVHJMKIUFMYJH-MCIGGMRASA-N 1 3 228.380 1.371 20 0 BDADHO CC1CC(CNC[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253384035 984140577 /nfs/dbraw/zinc/14/05/77/984140577.db2.gz MLVHJMKIUFMYJH-MCIGGMRASA-N 1 3 228.380 1.371 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccc[nH]1)CC2 ZINC001204011419 984177852 /nfs/dbraw/zinc/17/78/52/984177852.db2.gz RDHHOFCBJMJQCK-UHFFFAOYSA-N 1 3 219.332 1.542 20 0 BDADHO c1cc(C2=CC[NH2+]CC2)cc2c1C1(CNC1)OC2 ZINC001240469626 984303683 /nfs/dbraw/zinc/30/36/83/984303683.db2.gz GTKBGYLBKCLLPI-UHFFFAOYSA-N 1 3 242.322 1.392 20 0 BDADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCOCOC ZINC001274929301 984407682 /nfs/dbraw/zinc/40/76/82/984407682.db2.gz LBPFYRSJNAIMGA-YHWZYXNKSA-N 1 3 242.363 1.212 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223579 984409802 /nfs/dbraw/zinc/40/98/02/984409802.db2.gz CCCTUOKZWCZENX-GLBINXAQSA-N 1 3 236.359 1.236 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223579 984409811 /nfs/dbraw/zinc/40/98/11/984409811.db2.gz CCCTUOKZWCZENX-GLBINXAQSA-N 1 3 236.359 1.236 20 0 BDADHO O[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879710 984602460 /nfs/dbraw/zinc/60/24/60/984602460.db2.gz CXELTZKZHJHUDA-LSDHHAIUSA-N 1 3 246.354 1.376 20 0 BDADHO CCN1CCC[C@@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001577771074 984780300 /nfs/dbraw/zinc/78/03/00/984780300.db2.gz RLMXAONJPZUEKK-NEPJUHHUSA-N 1 3 225.380 1.058 20 0 BDADHO CCOC(=O)C1CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001577931357 984823330 /nfs/dbraw/zinc/82/33/30/984823330.db2.gz GQBPFVAKQYOEOQ-NGMURSQQSA-N 1 3 240.347 1.188 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093278 984845825 /nfs/dbraw/zinc/84/58/25/984845825.db2.gz GORUZEDORXTPCM-USZNOCQGSA-N 1 3 224.348 1.413 20 0 BDADHO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001578148742 984855273 /nfs/dbraw/zinc/85/52/73/984855273.db2.gz IICCQQUECROYQN-DJQAVVSRSA-N 1 3 248.307 1.789 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CC2(CN)CCC2)C1 ZINC001578161829 984864320 /nfs/dbraw/zinc/86/43/20/984864320.db2.gz XPEZCRMXDBAIHR-XYPYZODXSA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001578160823 984864574 /nfs/dbraw/zinc/86/45/74/984864574.db2.gz FBTJODMNPGHGCV-KKOKHZNYSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]2CC[NH2+]C2)[C@@H]1SC ZINC001578159277 984864716 /nfs/dbraw/zinc/86/47/16/984864716.db2.gz XQOLERFBIRPDQT-QCNOEVLYSA-N 1 3 244.404 1.095 20 0 BDADHO CN(C)c1cccc(CN2CCC(C[NH3+])CC2)n1 ZINC001578426726 985056906 /nfs/dbraw/zinc/05/69/06/985056906.db2.gz DCIJUMLJLRPWMA-UHFFFAOYSA-N 1 3 248.374 1.318 20 0 BDADHO Cn1cc([C@@H]2C[C@H]2C[N@H+](C)CC(C)(C)N)cn1 ZINC001578482246 985115418 /nfs/dbraw/zinc/11/54/18/985115418.db2.gz BICLQQKZNHMRIH-CMPLNLGQSA-N 1 3 236.363 1.193 20 0 BDADHO Cn1cc([C@@H]2C[C@H]2C[N@@H+](C)CC(C)(C)N)cn1 ZINC001578482246 985115428 /nfs/dbraw/zinc/11/54/28/985115428.db2.gz BICLQQKZNHMRIH-CMPLNLGQSA-N 1 3 236.363 1.193 20 0 BDADHO CN1CC[C@H]1C[NH2+]C[C@@H](N)CCC(C)(C)C ZINC001578526064 985149128 /nfs/dbraw/zinc/14/91/28/985149128.db2.gz YMZOVWOAICALTI-RYUDHWBXSA-N 1 3 227.396 1.434 20 0 BDADHO CN1CC[C@H]1CNC[C@@H]([NH3+])CCC(C)(C)C ZINC001578526064 985149141 /nfs/dbraw/zinc/14/91/41/985149141.db2.gz YMZOVWOAICALTI-RYUDHWBXSA-N 1 3 227.396 1.434 20 0 BDADHO CN1CCC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC001578528486 985150983 /nfs/dbraw/zinc/15/09/83/985150983.db2.gz IBFZXSBRAMSIMY-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO CNC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001578653697 985275702 /nfs/dbraw/zinc/27/57/02/985275702.db2.gz CFNSYNXCCFWOMY-AEGPPILISA-N 1 3 248.370 1.650 20 0 BDADHO CNC[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001578653697 985275726 /nfs/dbraw/zinc/27/57/26/985275726.db2.gz CFNSYNXCCFWOMY-AEGPPILISA-N 1 3 248.370 1.650 20 0 BDADHO C[NH2+]C[C@H](O)CN1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001578653697 985275742 /nfs/dbraw/zinc/27/57/42/985275742.db2.gz CFNSYNXCCFWOMY-AEGPPILISA-N 1 3 248.370 1.650 20 0 BDADHO COC(=O)CCCCC[NH2+]CC1(CN)CCC1 ZINC001578806422 985377177 /nfs/dbraw/zinc/37/71/77/985377177.db2.gz ZGBVONRSFJERRM-UHFFFAOYSA-N 1 3 242.363 1.438 20 0 BDADHO CO[C@@H](CN[C@H]1C[C@H]([NH3+])C1)CC(C)C ZINC001578912344 985511402 /nfs/dbraw/zinc/51/14/02/985511402.db2.gz CSZXXSSZVLBCCJ-GMTAPVOTSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000688053426 985539003 /nfs/dbraw/zinc/53/90/03/985539003.db2.gz NUJGDQGUDAVCPG-LPWJVIDDSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000688053426 985539027 /nfs/dbraw/zinc/53/90/27/985539027.db2.gz NUJGDQGUDAVCPG-LPWJVIDDSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617361 985558121 /nfs/dbraw/zinc/55/81/21/985558121.db2.gz XBNNZRHVKKYSLG-DGCLKSJQSA-N 1 3 236.363 1.367 20 0 BDADHO C[C@@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617361 985558135 /nfs/dbraw/zinc/55/81/35/985558135.db2.gz XBNNZRHVKKYSLG-DGCLKSJQSA-N 1 3 236.363 1.367 20 0 BDADHO COC[C@H](CN[C@@H]1CC[C@H](C)[NH2+]C1)C(C)C ZINC001578961778 985564899 /nfs/dbraw/zinc/56/48/99/985564899.db2.gz SGLCQKZDAOTLPA-RWMBFGLXSA-N 1 3 228.380 1.635 20 0 BDADHO COCC[C@H](N)C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000040 985645265 /nfs/dbraw/zinc/64/52/65/985645265.db2.gz NHYSUUPKXLUVIN-QWHCGFSZSA-N 1 3 240.391 1.861 20 0 BDADHO COCC[C@H](N)C[N@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000040 985645284 /nfs/dbraw/zinc/64/52/84/985645284.db2.gz NHYSUUPKXLUVIN-QWHCGFSZSA-N 1 3 240.391 1.861 20 0 BDADHO COCC[C@@H]([NH3+])CNC[C@@H](C)c1ccncc1 ZINC001579002024 985655845 /nfs/dbraw/zinc/65/58/45/985655845.db2.gz NASZETDOYULYHV-DGCLKSJQSA-N 1 3 237.347 1.139 20 0 BDADHO COCCC1(C[NH2+]CCCN)CCCCC1 ZINC001579007364 985671341 /nfs/dbraw/zinc/67/13/41/985671341.db2.gz UBOGUOVWSSKRFA-UHFFFAOYSA-N 1 3 228.380 1.912 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@H](N)C2)n1 ZINC001579269374 985827850 /nfs/dbraw/zinc/82/78/50/985827850.db2.gz SQKIWFDHWVSKDM-CKYFFXLPSA-N 1 3 235.331 1.101 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)C1=O ZINC001579440553 985929912 /nfs/dbraw/zinc/92/99/12/985929912.db2.gz LRGYCUWPPBASQV-WISYIIOYSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H](CO)C(C)(C)C ZINC001579454502 985939834 /nfs/dbraw/zinc/93/98/34/985939834.db2.gz HSIOMQXYYWYYHI-GRYCIOLGSA-N 1 3 228.380 1.181 20 0 BDADHO Nc1ccnc(-c2cccc(OCC[NH3+])c2)c1 ZINC001244317364 985949624 /nfs/dbraw/zinc/94/96/24/985949624.db2.gz BKMNGGXBHUBBHW-UHFFFAOYSA-N 1 3 229.283 1.668 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1Cc2cccc(O)c2C1 ZINC001579459681 985954043 /nfs/dbraw/zinc/95/40/43/985954043.db2.gz PXJDOKMINKZNRA-WXHSDQCUSA-N 1 3 246.354 1.305 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@H]1CCCC[C@@H]1O)C2 ZINC001579473582 985979116 /nfs/dbraw/zinc/97/91/16/985979116.db2.gz GJSVDTFSAZQBTP-MQYQWHSLSA-N 1 3 238.375 1.079 20 0 BDADHO Cc1c[nH]c(CNC[C@@H]2CCC[NH2+]CC2)n1 ZINC001579548110 986082540 /nfs/dbraw/zinc/08/25/40/986082540.db2.gz XMOBURQECZUXPH-LLVKDONJSA-N 1 3 222.336 1.197 20 0 BDADHO C[NH+](C)C[C@H]1CCN(C[C@@]2(C)CCCCO2)C1 ZINC001462084314 986272179 /nfs/dbraw/zinc/27/21/79/986272179.db2.gz ZYIIXTPUGCUMDK-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1ncoc1CNC1CC2(CC([NH3+])C2)C1 ZINC001579888037 986303208 /nfs/dbraw/zinc/30/32/08/986303208.db2.gz MRQKRCPCBORKBG-UHFFFAOYSA-N 1 3 221.304 1.343 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccnc1N ZINC001462203701 986307349 /nfs/dbraw/zinc/30/73/49/986307349.db2.gz QZNMHGSXYIKHIE-WCQYABFASA-N 1 3 248.374 1.436 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccnc1N ZINC001462203701 986307354 /nfs/dbraw/zinc/30/73/54/986307354.db2.gz QZNMHGSXYIKHIE-WCQYABFASA-N 1 3 248.374 1.436 20 0 BDADHO Cn1cc([C@@H]2C[C@H]2C[NH2+]C2(C)CCNCC2)cn1 ZINC001579969715 986368392 /nfs/dbraw/zinc/36/83/92/986368392.db2.gz MBFMSOJICWDIBS-WCQYABFASA-N 1 3 248.374 1.255 20 0 BDADHO NC1CC([NH2+]C[C@H]2C[C@H]2C2CCCC2)C1 ZINC001580162624 986634926 /nfs/dbraw/zinc/63/49/26/986634926.db2.gz CIZGRQFQESYBAO-XVSSEFHLSA-N 1 3 208.349 1.892 20 0 BDADHO NC[C@@H]([NH2+]Cc1cnn2ccccc12)C1CC1 ZINC001580230042 986681091 /nfs/dbraw/zinc/68/10/91/986681091.db2.gz XORUNKLQIDAJRQ-GFCCVEGCSA-N 1 3 230.315 1.161 20 0 BDADHO NCC1([NH2+]Cc2cnc3cnccn23)CCCC1 ZINC001580245507 986696978 /nfs/dbraw/zinc/69/69/78/986696978.db2.gz ZNZVUBUWOPNRGF-UHFFFAOYSA-N 1 3 245.330 1.090 20 0 BDADHO [NH3+]C[C@]12CN(Cc3cnc[nH]3)C[C@@H]1CCCC2 ZINC001580256902 986708474 /nfs/dbraw/zinc/70/84/74/986708474.db2.gz ZOXQHRWNIHMLCE-WCQYABFASA-N 1 3 234.347 1.361 20 0 BDADHO NC[C@@]12C[N@H+](C[C@@H](O)C3CC3)C[C@H]1CCCC2 ZINC001580256018 986708763 /nfs/dbraw/zinc/70/87/63/986708763.db2.gz PFMIULJBGMVPTH-MCIONIFRSA-N 1 3 238.375 1.208 20 0 BDADHO NC[C@@]12C[N@@H+](C[C@@H](O)C3CC3)C[C@H]1CCCC2 ZINC001580256018 986708777 /nfs/dbraw/zinc/70/87/77/986708777.db2.gz PFMIULJBGMVPTH-MCIONIFRSA-N 1 3 238.375 1.208 20 0 BDADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(=O)[nH]c1)C2 ZINC001580334981 986777877 /nfs/dbraw/zinc/77/78/77/986777877.db2.gz NDEUXQPCIVVXDP-JSGCOSHPSA-N 1 3 247.342 1.348 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CCSC1 ZINC001580371956 986797776 /nfs/dbraw/zinc/79/77/76/986797776.db2.gz FZMBMJOCUMIKPQ-OPRDCNLKSA-N 1 3 200.351 1.351 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001580430450 986848161 /nfs/dbraw/zinc/84/81/61/986848161.db2.gz MOKDWOPEJYVHBV-NWBUJAPZSA-N 1 3 224.348 1.271 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cncnc3)C2)CC1 ZINC001137669170 986888798 /nfs/dbraw/zinc/88/87/98/986888798.db2.gz DVCZLLLVYMFCSI-UHFFFAOYSA-N 1 3 246.358 1.394 20 0 BDADHO CC(C)(C)[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245972970 987244517 /nfs/dbraw/zinc/24/45/17/987244517.db2.gz FZWZRTJLFYBHFP-JTQLQIEISA-N 1 3 214.353 1.255 20 0 BDADHO CC(C)(C)[C@@H](O)CNCC1([NH3+])CCCC1 ZINC001245972970 987244529 /nfs/dbraw/zinc/24/45/29/987244529.db2.gz FZWZRTJLFYBHFP-JTQLQIEISA-N 1 3 214.353 1.255 20 0 BDADHO CCCCC[C@H](O)CNC[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245974337 987254675 /nfs/dbraw/zinc/25/46/75/987254675.db2.gz MFLLGOSXYJEBBV-MJBXVCDLSA-N 1 3 242.407 1.905 20 0 BDADHO O=C1C[C@@H]2CC([NH2+]C3CCNCC3)C[C@H]2C1 ZINC001246082047 987376482 /nfs/dbraw/zinc/37/64/82/987376482.db2.gz VQVPYWCOAFQHAI-UWVGGRQHSA-N 1 3 222.332 1.086 20 0 BDADHO C[C@H](Cc1cccnc1)[NH2+]C1CCNCC1 ZINC001246081994 987378269 /nfs/dbraw/zinc/37/82/69/987378269.db2.gz VEZYFUFBHUNXPQ-LLVKDONJSA-N 1 3 219.332 1.354 20 0 BDADHO C[C@H](Cc1cccnc1)NC1CC[NH2+]CC1 ZINC001246081994 987378273 /nfs/dbraw/zinc/37/82/73/987378273.db2.gz VEZYFUFBHUNXPQ-LLVKDONJSA-N 1 3 219.332 1.354 20 0 BDADHO C[C@@H](Cc1cccnc1)[NH2+]C1CCNCC1 ZINC001246081999 987378684 /nfs/dbraw/zinc/37/86/84/987378684.db2.gz VEZYFUFBHUNXPQ-NSHDSACASA-N 1 3 219.332 1.354 20 0 BDADHO C[C@@H](Cc1cccnc1)NC1CC[NH2+]CC1 ZINC001246081999 987378687 /nfs/dbraw/zinc/37/86/87/987378687.db2.gz VEZYFUFBHUNXPQ-NSHDSACASA-N 1 3 219.332 1.354 20 0 BDADHO CCCC[C@@H](CC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085585 987383700 /nfs/dbraw/zinc/38/37/00/987383700.db2.gz XVYHHUAYTMAGRY-FRRDWIJNSA-N 1 3 246.370 1.607 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246086501 987385201 /nfs/dbraw/zinc/38/52/01/987385201.db2.gz CODZTIGSSQLJFC-DGCLKSJQSA-N 1 3 248.374 1.425 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C(C)C ZINC001246090735 987397465 /nfs/dbraw/zinc/39/74/65/987397465.db2.gz YOZMGIPTIBMQMM-GRYCIOLGSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001246090735 987397468 /nfs/dbraw/zinc/39/74/68/987397468.db2.gz YOZMGIPTIBMQMM-GRYCIOLGSA-N 1 3 214.353 1.388 20 0 BDADHO CC1(C)C[C@H](N[C@H]2CCCC[NH2+]C2)CCO1 ZINC001246092624 987401561 /nfs/dbraw/zinc/40/15/61/987401561.db2.gz SZHSHRZGDHNBEH-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099668 987418960 /nfs/dbraw/zinc/41/89/60/987418960.db2.gz MHGKPVFXXNFLMN-BFHYXJOUSA-N 1 3 247.386 1.848 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246102933 987429485 /nfs/dbraw/zinc/42/94/85/987429485.db2.gz UHCMVHZKZVOGRJ-ZDCRXTMVSA-N 1 3 200.301 1.607 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@@H]1CCCOC1 ZINC001246110938 987446190 /nfs/dbraw/zinc/44/61/90/987446190.db2.gz JSEQECNWIIVKAJ-GRYCIOLGSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)C2)CCN1 ZINC001246112439 987448925 /nfs/dbraw/zinc/44/89/25/987448925.db2.gz UHCMVHZKZVOGRJ-VLEAKVRGSA-N 1 3 200.301 1.607 20 0 BDADHO CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246150628 987507302 /nfs/dbraw/zinc/50/73/02/987507302.db2.gz ANBSPIWTOCEYRE-IRCOFANPSA-N 1 3 214.353 1.124 20 0 BDADHO CC(C)CC[C@@H](C)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246151048 987513776 /nfs/dbraw/zinc/51/37/76/987513776.db2.gz VLTSQVMNLOFHTK-MQYQWHSLSA-N 1 3 240.391 1.635 20 0 BDADHO COCC1(N[C@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246196511 987592339 /nfs/dbraw/zinc/59/23/39/987592339.db2.gz SXWSAZXVQCKJRN-QWRGUYRKSA-N 1 3 212.337 1.286 20 0 BDADHO COC(=O)CCCCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246199839 987593601 /nfs/dbraw/zinc/59/36/01/987593601.db2.gz LKUOWBQVGLUPBA-NWDGAFQWSA-N 1 3 242.363 1.450 20 0 BDADHO COC(=O)CCCCC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246203001 987599732 /nfs/dbraw/zinc/59/97/32/987599732.db2.gz UXAPPCVZCYRNEK-NEPJUHHUSA-N 1 3 242.363 1.450 20 0 BDADHO CCCC[C@@H](CO)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246212619 987610050 /nfs/dbraw/zinc/61/00/50/987610050.db2.gz VZBPKWIJDXLMLG-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@@H](CO)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246212619 987610051 /nfs/dbraw/zinc/61/00/51/987610051.db2.gz VZBPKWIJDXLMLG-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246219995 987616581 /nfs/dbraw/zinc/61/65/81/987616581.db2.gz BXLPBDGIAYMQSM-IEECTRCBSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CCN1 ZINC001246222150 987619580 /nfs/dbraw/zinc/61/95/80/987619580.db2.gz LHVKJBGWSDHBDT-RVMXOQNASA-N 1 3 226.364 1.268 20 0 BDADHO CCOC(CC[NH2+][C@H]1CCN[C@@H](C)C1)OCC ZINC001246234897 987632587 /nfs/dbraw/zinc/63/25/87/987632587.db2.gz WKPVPCANQPUYTO-RYUDHWBXSA-N 1 3 244.379 1.506 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H](CO)C(C)(C)C)CCN1 ZINC001246236563 987635172 /nfs/dbraw/zinc/63/51/72/987635172.db2.gz PWOZYAPOQBAOQI-AXFHLTTASA-N 1 3 214.353 1.124 20 0 BDADHO C[C@H]1C[C@H](N[C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC001246236563 987635173 /nfs/dbraw/zinc/63/51/73/987635173.db2.gz PWOZYAPOQBAOQI-AXFHLTTASA-N 1 3 214.353 1.124 20 0 BDADHO CCOC(=O)CCCCCN[C@H]1CCC[NH2+]C1 ZINC001246243700 987646044 /nfs/dbraw/zinc/64/60/44/987646044.db2.gz LBQMYLGBAYECEP-LBPRGKRZSA-N 1 3 242.363 1.452 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)NCC[C@H](C)[NH3+] ZINC001246299160 987694210 /nfs/dbraw/zinc/69/42/10/987694210.db2.gz GGHWJTARUQZRSX-WDEREUQCSA-N 1 3 230.352 1.434 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246320939 987727200 /nfs/dbraw/zinc/72/72/00/987727200.db2.gz LSEHPBGNNYNAMD-GWCFXTLKSA-N 1 3 236.363 1.607 20 0 BDADHO CC(=O)NCCCCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246337622 987746838 /nfs/dbraw/zinc/74/68/38/987746838.db2.gz WUSOIHVNMOCRND-WCQYABFASA-N 1 3 241.379 1.023 20 0 BDADHO C[C@@H]1C[C@@H](NCCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338679 987748038 /nfs/dbraw/zinc/74/80/38/987748038.db2.gz ADKBBGGCLPABHL-YPMHNXCESA-N 1 3 243.370 1.150 20 0 BDADHO COC(CCC[NH2+][C@@H]1CCN[C@H](C)C1)OC ZINC001246342453 987753638 /nfs/dbraw/zinc/75/36/38/987753638.db2.gz OWPXGMDAPAEACE-GHMZBOCLSA-N 1 3 230.352 1.116 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCc2cccc(N)c2)CCN1 ZINC001246347016 987756252 /nfs/dbraw/zinc/75/62/52/987756252.db2.gz FXILNZCSXHBTTG-IUODEOHRSA-N 1 3 247.386 1.932 20 0 BDADHO CC[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246357777 987763101 /nfs/dbraw/zinc/76/31/01/987763101.db2.gz MDEAEKUMOUPLFY-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246412370 987791699 /nfs/dbraw/zinc/79/16/99/987791699.db2.gz CCLYATWGFWPCKV-UTUOFQBUSA-N 1 3 241.379 1.138 20 0 BDADHO CCCC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415659 987792112 /nfs/dbraw/zinc/79/21/12/987792112.db2.gz JDDQXHSBSCWHBY-QWRGUYRKSA-N 1 3 229.368 1.138 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12CNC2 ZINC001246442842 987793946 /nfs/dbraw/zinc/79/39/46/987793946.db2.gz FBEBONDSKPVAJP-ZWNOBZJWSA-N 1 3 234.318 1.708 20 0 BDADHO Fc1cccnc1C1(C[NH2+][C@@H]2CCCNC2)CC1 ZINC001246440423 987798877 /nfs/dbraw/zinc/79/88/77/987798877.db2.gz TUGRHHHPQZDVDZ-LLVKDONJSA-N 1 3 249.333 1.594 20 0 BDADHO c1ccc2c(c1)CCC(N[C@H]1CC13C[NH2+]C3)CC2 ZINC001246442996 987803311 /nfs/dbraw/zinc/80/33/11/987803311.db2.gz FNNDVTCDFROFDR-HNNXBMFYSA-N 1 3 242.366 1.886 20 0 BDADHO c1ccc2c(c1)CCC([NH2+][C@H]1CC13CNC3)CC2 ZINC001246442996 987803315 /nfs/dbraw/zinc/80/33/15/987803315.db2.gz FNNDVTCDFROFDR-HNNXBMFYSA-N 1 3 242.366 1.886 20 0 BDADHO Fc1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246452275 987809635 /nfs/dbraw/zinc/80/96/35/987809635.db2.gz JNTLIENOWPOSCY-AWEZNQCLSA-N 1 3 234.318 1.635 20 0 BDADHO Fc1ccc2c(c1)C[C@@H](NC1CC[NH2+]CC1)C2 ZINC001246452275 987809639 /nfs/dbraw/zinc/80/96/39/987809639.db2.gz JNTLIENOWPOSCY-AWEZNQCLSA-N 1 3 234.318 1.635 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001474756806 987820015 /nfs/dbraw/zinc/82/00/15/987820015.db2.gz MCLGHCQIIOLCCO-ZOBORPQBSA-N 1 3 248.374 1.201 20 0 BDADHO C[C@H]1C[C@@H](NCC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246498652 987854500 /nfs/dbraw/zinc/85/45/00/987854500.db2.gz JCJAFZJINCZHFL-AEGPPILISA-N 1 3 248.370 1.840 20 0 BDADHO CCC1(CC[NH2+][C@H]2CCN[C@H](C)C2)OCCO1 ZINC001246516251 987864479 /nfs/dbraw/zinc/86/44/79/987864479.db2.gz QYFYLMBPNGEVGO-NEPJUHHUSA-N 1 3 242.363 1.260 20 0 BDADHO CCCC[C@H]1C[C@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246526224 987878284 /nfs/dbraw/zinc/87/82/84/987878284.db2.gz NZQQLHGNIDZUOT-LOWDOPEQSA-N 1 3 243.370 1.278 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H](F)[C@@H](N)C1 ZINC001246529522 987885186 /nfs/dbraw/zinc/88/51/86/987885186.db2.gz KXQMHTMIGCROMG-TUAOUCFPSA-N 1 3 231.359 1.088 20 0 BDADHO CCC[N@H+](CCOC)[C@H]1CCN[C@@H](C)C1 ZINC001246530930 987886870 /nfs/dbraw/zinc/88/68/70/987886870.db2.gz QKQLHFKBUFGZPQ-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO CCC[N@@H+](CCOC)[C@H]1CCN[C@@H](C)C1 ZINC001246530930 987886872 /nfs/dbraw/zinc/88/68/72/987886872.db2.gz QKQLHFKBUFGZPQ-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO CCCN(CCOC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246530930 987886877 /nfs/dbraw/zinc/88/68/77/987886877.db2.gz QKQLHFKBUFGZPQ-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)COCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246532581 987890835 /nfs/dbraw/zinc/89/08/35/987890835.db2.gz WXGCMHZESMLCNS-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246532581 987890838 /nfs/dbraw/zinc/89/08/38/987890838.db2.gz WXGCMHZESMLCNS-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1[C@@H]1CCCN(C)CC1 ZINC001246537795 987899455 /nfs/dbraw/zinc/89/94/55/987899455.db2.gz LFSXLHLKFONYIC-XQQFMLRXSA-N 1 3 225.380 1.282 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1[C@@H]1CCCN(C)CC1 ZINC001246537795 987899458 /nfs/dbraw/zinc/89/94/58/987899458.db2.gz LFSXLHLKFONYIC-XQQFMLRXSA-N 1 3 225.380 1.282 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CCC[C@H](N)CC1 ZINC001246541580 987907472 /nfs/dbraw/zinc/90/74/72/987907472.db2.gz MFGXFHMFEOQJJX-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CCC[C@H](N)CC1 ZINC001246541580 987907463 /nfs/dbraw/zinc/90/74/63/987907463.db2.gz MFGXFHMFEOQJJX-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543104 987912244 /nfs/dbraw/zinc/91/22/44/987912244.db2.gz TVLOEZJUKZTTEZ-SRVKXCTJSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246543104 987912248 /nfs/dbraw/zinc/91/22/48/987912248.db2.gz TVLOEZJUKZTTEZ-SRVKXCTJSA-N 1 3 212.337 1.367 20 0 BDADHO CCC1CCC([N@@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246556773 987968884 /nfs/dbraw/zinc/96/88/84/987968884.db2.gz CZJKMBTUILDGGC-FIYWTHMPSA-N 1 3 226.364 1.349 20 0 BDADHO CCC1CCC([N@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246556773 987968897 /nfs/dbraw/zinc/96/88/97/987968897.db2.gz CZJKMBTUILDGGC-FIYWTHMPSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001246558404 987975199 /nfs/dbraw/zinc/97/51/99/987975199.db2.gz QBJCNHZWIHJBOG-MGPQQGTHSA-N 1 3 239.407 1.530 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001246558404 987975208 /nfs/dbraw/zinc/97/52/08/987975208.db2.gz QBJCNHZWIHJBOG-MGPQQGTHSA-N 1 3 239.407 1.530 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@@H](C)[NH2+]C)C1(C)C ZINC001118122048 988030161 /nfs/dbraw/zinc/03/01/61/988030161.db2.gz NGOZMBUCKLFCHM-IJLUTSLNSA-N 1 3 228.380 1.778 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(CF)C2)CCN1 ZINC001246573972 988076388 /nfs/dbraw/zinc/07/63/88/988076388.db2.gz HEACTTYDCUMSDT-GRYCIOLGSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(CF)C2)CCN1 ZINC001246573972 988076401 /nfs/dbraw/zinc/07/64/01/988076401.db2.gz HEACTTYDCUMSDT-GRYCIOLGSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246583842 988120904 /nfs/dbraw/zinc/12/09/04/988120904.db2.gz LBKOUFCQXWAAIJ-SJHCENCUSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246583842 988120912 /nfs/dbraw/zinc/12/09/12/988120912.db2.gz LBKOUFCQXWAAIJ-SJHCENCUSA-N 1 3 226.364 1.063 20 0 BDADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583142 988123223 /nfs/dbraw/zinc/12/32/23/988123223.db2.gz IJRSNOVVRGQGIN-CRWXNKLISA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583142 988123230 /nfs/dbraw/zinc/12/32/30/988123230.db2.gz IJRSNOVVRGQGIN-CRWXNKLISA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583144 988128901 /nfs/dbraw/zinc/12/89/01/988128901.db2.gz IJRSNOVVRGQGIN-MQYQWHSLSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583144 988128913 /nfs/dbraw/zinc/12/89/13/988128913.db2.gz IJRSNOVVRGQGIN-MQYQWHSLSA-N 1 3 242.407 1.699 20 0 BDADHO C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]1(C)O ZINC001246587156 988143216 /nfs/dbraw/zinc/14/32/16/988143216.db2.gz FTPCOEUSFYODEE-BEUHCMRWSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606560 988226475 /nfs/dbraw/zinc/22/64/75/988226475.db2.gz NBLXUWXPZWFEPT-FRRDWIJNSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCCO3)C2)CCN1 ZINC001246606560 988226492 /nfs/dbraw/zinc/22/64/92/988226492.db2.gz NBLXUWXPZWFEPT-FRRDWIJNSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCCO3)C2)CCN1 ZINC001246606560 988226514 /nfs/dbraw/zinc/22/65/14/988226514.db2.gz NBLXUWXPZWFEPT-FRRDWIJNSA-N 1 3 224.348 1.382 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N3CCN[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645354 988361304 /nfs/dbraw/zinc/36/13/04/988361304.db2.gz UMPMPPXRRSZKEW-XPCVCDNBSA-N 1 3 249.402 1.058 20 0 BDADHO CC(C)[C@H]1C[C@@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246818237 988505570 /nfs/dbraw/zinc/50/55/70/988505570.db2.gz AYFGMXLJZCGCGT-QNWHQSFQSA-N 1 3 243.370 1.134 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246832223 988527123 /nfs/dbraw/zinc/52/71/23/988527123.db2.gz AYFGMXLJZCGCGT-LOWDOPEQSA-N 1 3 243.370 1.134 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246838394 988539885 /nfs/dbraw/zinc/53/98/85/988539885.db2.gz HGGLFAHUGXJBTA-SRVKXCTJSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246838394 988539890 /nfs/dbraw/zinc/53/98/90/988539890.db2.gz HGGLFAHUGXJBTA-SRVKXCTJSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246838394 988539895 /nfs/dbraw/zinc/53/98/95/988539895.db2.gz HGGLFAHUGXJBTA-SRVKXCTJSA-N 1 3 240.347 1.154 20 0 BDADHO CCOCC1CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 ZINC001246844025 988554580 /nfs/dbraw/zinc/55/45/80/988554580.db2.gz FRMOVPZUIRVDIU-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO CCOCC1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246844025 988554591 /nfs/dbraw/zinc/55/45/91/988554591.db2.gz FRMOVPZUIRVDIU-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](Cc1ccco1)[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246850702 988560709 /nfs/dbraw/zinc/56/07/09/988560709.db2.gz DCCKKQVYEUCXND-MDZLAQPJSA-N 1 3 220.316 1.634 20 0 BDADHO C[C@H](Cc1ccco1)[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246850702 988560716 /nfs/dbraw/zinc/56/07/16/988560716.db2.gz DCCKKQVYEUCXND-MDZLAQPJSA-N 1 3 220.316 1.634 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]12 ZINC001246854540 988568225 /nfs/dbraw/zinc/56/82/25/988568225.db2.gz PZZRAWNOMBXRMQ-NZEXEKPDSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CCN[C@@H](C)C3)C[C@H]12 ZINC001246854540 988568228 /nfs/dbraw/zinc/56/82/28/988568228.db2.gz PZZRAWNOMBXRMQ-NZEXEKPDSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859627 988593983 /nfs/dbraw/zinc/59/39/83/988593983.db2.gz MCQSAYOBCKQKOL-HTFCKZLJSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859627 988593997 /nfs/dbraw/zinc/59/39/97/988593997.db2.gz MCQSAYOBCKQKOL-HTFCKZLJSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H](Cc1ccncc1)[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246862092 988598680 /nfs/dbraw/zinc/59/86/80/988598680.db2.gz PWJAKPINCZCQMN-MRVWCRGKSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1ccncc1)[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246862092 988598699 /nfs/dbraw/zinc/59/86/99/988598699.db2.gz PWJAKPINCZCQMN-MRVWCRGKSA-N 1 3 231.343 1.436 20 0 BDADHO CN[C@@H]1CCN1[C@H]1CC[NH2+][C@H](C(C)(C)C)C1 ZINC001246901433 988674121 /nfs/dbraw/zinc/67/41/21/988674121.db2.gz XPBFTAJQBMHCDR-SRVKXCTJSA-N 1 3 225.380 1.404 20 0 BDADHO CC[C@@H]1C[C@@H](N2CC[C@@H]2NC)C[C@H](CC)[NH2+]1 ZINC001246899916 988674659 /nfs/dbraw/zinc/67/46/59/988674659.db2.gz QWZCISLUGVPGHQ-YVECIDJPSA-N 1 3 225.380 1.547 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@@H+]1CCC[C@@H]1CN ZINC001246913709 988694235 /nfs/dbraw/zinc/69/42/35/988694235.db2.gz KMTWEAMZPHUCNE-GHMZBOCLSA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H]1CN ZINC001246913709 988694238 /nfs/dbraw/zinc/69/42/38/988694238.db2.gz KMTWEAMZPHUCNE-GHMZBOCLSA-N 1 3 228.336 1.141 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCC[C@@H]1CN ZINC001246918046 988714384 /nfs/dbraw/zinc/71/43/84/988714384.db2.gz TUHCVAQZXWBRGT-NWDGAFQWSA-N 1 3 242.363 1.530 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCC[C@@H]1CN ZINC001246918046 988714403 /nfs/dbraw/zinc/71/44/03/988714403.db2.gz TUHCVAQZXWBRGT-NWDGAFQWSA-N 1 3 242.363 1.530 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC001246977587 988809021 /nfs/dbraw/zinc/80/90/21/988809021.db2.gz DYMPVEDJQFRBAZ-MELADBBJSA-N 1 3 239.407 1.541 20 0 BDADHO C(CC1CCOCC1)[NH2+][C@@H]1CCNC12CCC2 ZINC001119630154 989260904 /nfs/dbraw/zinc/26/09/04/989260904.db2.gz DAGXHXHGVRIGDJ-CYBMUJFWSA-N 1 3 238.375 1.677 20 0 BDADHO CC(C)CNCc1nc(C2([NH3+])CCC2)no1 ZINC001326172041 989402023 /nfs/dbraw/zinc/40/20/23/989402023.db2.gz HZXOGRMEXQRBHA-UHFFFAOYSA-N 1 3 224.308 1.153 20 0 BDADHO C[NH2+][C@@H](C)CCNC(=O)C[C@H](N)c1ccccc1 ZINC001326243438 989444175 /nfs/dbraw/zinc/44/41/75/989444175.db2.gz BDPVVXOWDAOKLI-AAEUAGOBSA-N 1 3 249.358 1.191 20 0 BDADHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC001326688134 989654421 /nfs/dbraw/zinc/65/44/21/989654421.db2.gz OYLQGKQWCWHIGD-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC001521540641 989738168 /nfs/dbraw/zinc/73/81/68/989738168.db2.gz JJGIIIYLTKWJLQ-QJPTWQEYSA-N 1 3 243.395 1.384 20 0 BDADHO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc2c1CNC2 ZINC001522497041 989858413 /nfs/dbraw/zinc/85/84/13/989858413.db2.gz RJWZXOAIVVCQIR-LLVKDONJSA-N 1 3 245.326 1.370 20 0 BDADHO c1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccn1 ZINC001120784775 989880668 /nfs/dbraw/zinc/88/06/68/989880668.db2.gz UWRLELQKNJZERN-KGLIPLIRSA-N 1 3 231.343 1.932 20 0 BDADHO c1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC001120784775 989880670 /nfs/dbraw/zinc/88/06/70/989880670.db2.gz UWRLELQKNJZERN-KGLIPLIRSA-N 1 3 231.343 1.932 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N(CC[NH2+]C)C(C)C ZINC001122174272 990276237 /nfs/dbraw/zinc/27/62/37/990276237.db2.gz TZBNKHXTFIGBNF-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)([NH3+])c1ccc(NC(=O)CNC2CC2)cc1 ZINC001122320430 990339295 /nfs/dbraw/zinc/33/92/95/990339295.db2.gz GDQRORSUAQYTQG-UHFFFAOYSA-N 1 3 247.342 1.571 20 0 BDADHO Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308555392 991035293 /nfs/dbraw/zinc/03/52/93/991035293.db2.gz VOMWUDIWFOBCSF-RBSFLKMASA-N 1 3 245.370 1.820 20 0 BDADHO C[C@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611982 991058432 /nfs/dbraw/zinc/05/84/32/991058432.db2.gz UEOSHFNQVXJUOV-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO Cc1cnccc1CNC[C@@H]1C[NH+]2CCC1CC2 ZINC001308965350 991241178 /nfs/dbraw/zinc/24/11/78/991241178.db2.gz FZYFWBKGKDTGTF-OAHLLOKOSA-N 1 3 245.370 1.821 20 0 BDADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308984301 991250401 /nfs/dbraw/zinc/25/04/01/991250401.db2.gz MMNFMNHPRAGAFL-QNWJLWSRSA-N 1 3 208.349 1.715 20 0 BDADHO CCOC(=O)CC[C@H](C)NC(C)(C)C(C)(C)[NH3+] ZINC001258483434 991453366 /nfs/dbraw/zinc/45/33/66/991453366.db2.gz HNMBILNIUUOFHM-JTQLQIEISA-N 1 3 244.379 1.824 20 0 BDADHO NC1CC([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC001258505795 991469910 /nfs/dbraw/zinc/46/99/10/991469910.db2.gz ODJAAOJOJDJZLX-UHFFFAOYSA-N 1 3 245.370 1.735 20 0 BDADHO [NH3+]C1CC(NC2CCN(c3ccccc3)CC2)C1 ZINC001258505795 991469919 /nfs/dbraw/zinc/46/99/19/991469919.db2.gz ODJAAOJOJDJZLX-UHFFFAOYSA-N 1 3 245.370 1.735 20 0 BDADHO [NH3+]CC1(NC2CCN(c3ccccc3)CC2)CC1 ZINC001258509192 991473320 /nfs/dbraw/zinc/47/33/20/991473320.db2.gz QTSCTAODPAKLSM-UHFFFAOYSA-N 1 3 245.370 1.736 20 0 BDADHO CCC[NH+]1CCC(N2CCCO[C@@H](C)C2)CC1 ZINC001258771679 991730545 /nfs/dbraw/zinc/73/05/45/991730545.db2.gz OEIGILDVRZNJNL-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001258772303 991737397 /nfs/dbraw/zinc/73/73/97/991737397.db2.gz MQXQNNNSHHNEER-TZMCWYRMSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@](C)(CO)C2)CC1 ZINC001258772519 991739230 /nfs/dbraw/zinc/73/92/30/991739230.db2.gz RHFWLLGHOUPLDA-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)n1nncc1CN ZINC001258900356 991894845 /nfs/dbraw/zinc/89/48/45/991894845.db2.gz JWKBQTXDUVQRKC-NSHDSACASA-N 1 3 239.367 1.420 20 0 BDADHO CC[C@H](C(=O)N(CC)CC[NH2+]C(C)C)N(C)C ZINC001568791647 992217373 /nfs/dbraw/zinc/21/73/73/992217373.db2.gz PHIYAQMTJNPQTN-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001320614251 992273593 /nfs/dbraw/zinc/27/35/93/992273593.db2.gz JRCFKXQQDIZNMY-LBPRGKRZSA-N 1 3 243.395 1.221 20 0 BDADHO C1C[C@@]2(C[NH2+]1)CCCCN([C@H]1CCOC1)C2 ZINC001574801090 992915199 /nfs/dbraw/zinc/91/51/99/992915199.db2.gz NCRIOGFGOSLOBZ-QWHCGFSZSA-N 1 3 224.348 1.241 20 0 BDADHO CC[C@H](O)CN[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001262576206 992931813 /nfs/dbraw/zinc/93/18/13/992931813.db2.gz JVJCZMPYKZCVCQ-GARJFASQSA-N 1 3 214.353 1.076 20 0 BDADHO CC(C)(C)CC[C@H](CO)[NH2+]CC(C)(C)CN ZINC001575130290 992993136 /nfs/dbraw/zinc/99/31/36/992993136.db2.gz IUTFPXHZGZSZHQ-LLVKDONJSA-N 1 3 230.396 1.748 20 0 BDADHO CC(C)(C)CC[C@H](CO)[NH2+]CC1(CN)CC1 ZINC001575131802 992995035 /nfs/dbraw/zinc/99/50/35/992995035.db2.gz WUPWHYBFPCILEH-LLVKDONJSA-N 1 3 228.380 1.502 20 0 BDADHO CC(C)([NH3+])CNC(=O)C(C)(C)N1CCCCC1 ZINC001575354080 993021253 /nfs/dbraw/zinc/02/12/53/993021253.db2.gz DZGRZGIAIDYYAD-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@H]([S@@](C)=O)C1 ZINC001575423075 993041225 /nfs/dbraw/zinc/04/12/25/993041225.db2.gz OROZVAWEIIBOFU-LSSIXWDNSA-N 1 3 246.420 1.107 20 0 BDADHO CC(C)[C@H](CN)C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001575423065 993042412 /nfs/dbraw/zinc/04/24/12/993042412.db2.gz OPJSWQYAZQYPHR-ZIAGYGMSSA-N 1 3 242.407 1.748 20 0 BDADHO CC(C)[C@@H](O)CCNC[C@@H]([NH3+])CC(F)(F)F ZINC001575470867 993051826 /nfs/dbraw/zinc/05/18/26/993051826.db2.gz FDEQHNSQVXAZDM-IUCAKERBSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C(C)C)N(C)C ZINC001263063332 993096577 /nfs/dbraw/zinc/09/65/77/993096577.db2.gz SMAVNHPFVVPCMI-NWDGAFQWSA-N 1 3 243.395 1.062 20 0 BDADHO C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941991 993133215 /nfs/dbraw/zinc/13/32/15/993133215.db2.gz ZJWYPNKFJRBIFU-QSAXWINLSA-N 1 3 236.359 1.282 20 0 BDADHO C[C@@H](CCN)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962353 993140397 /nfs/dbraw/zinc/14/03/97/993140397.db2.gz PUVHYXULYNBYRX-MCDVFOBDSA-N 1 3 224.348 1.127 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc2nccn21 ZINC001575989394 993154055 /nfs/dbraw/zinc/15/40/55/993154055.db2.gz XIPWEUPLDSEBPM-SNVBAGLBSA-N 1 3 218.304 1.019 20 0 BDADHO C[C@H](Cc1ccno1)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576065637 993169681 /nfs/dbraw/zinc/16/96/81/993169681.db2.gz GOIJYXAHXOXRKR-DVVUODLYSA-N 1 3 223.320 1.321 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576104779 993183674 /nfs/dbraw/zinc/18/36/74/993183674.db2.gz IXBGVQBRPBYOOH-SAAXCQNUSA-N 1 3 242.363 1.432 20 0 BDADHO CCc1ccc(CN2CCC(C[NH3+])CC2)nc1 ZINC000379113718 993220474 /nfs/dbraw/zinc/22/04/74/993220474.db2.gz KFZXOBPEXUYALM-UHFFFAOYSA-N 1 3 233.359 1.815 20 0 BDADHO C[C@@]1(CN[C@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520137 993329869 /nfs/dbraw/zinc/32/98/69/993329869.db2.gz ZANGWJJVGAQOKG-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H]1C[C@@H](C)CN(CC[NH2+][C@H](CN)C2CC2)C1 ZINC001576590908 993361666 /nfs/dbraw/zinc/36/16/66/993361666.db2.gz DGSFHWAORBPTMC-YRGRVCCFSA-N 1 3 239.407 1.291 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCO[C@@H](C)C2)C[C@H]1[NH3+] ZINC001576599092 993364229 /nfs/dbraw/zinc/36/42/29/993364229.db2.gz RAIPXGCLAPLHOI-NOOOWODRSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CCO[C@@H](C)C1 ZINC001576622180 993373030 /nfs/dbraw/zinc/37/30/30/993373030.db2.gz AURDGLJZAUVHLZ-IRCOFANPSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H](Cc1ccno1)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001576666275 993386456 /nfs/dbraw/zinc/38/64/56/993386456.db2.gz KMUWIAFXTIEWNF-OUAUKWLOSA-N 1 3 223.320 1.336 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C[C@@H]1CO ZINC001576728987 993403568 /nfs/dbraw/zinc/40/35/68/993403568.db2.gz BKTZFCILYQWLCP-HZSPNIEDSA-N 1 3 240.391 1.326 20 0 BDADHO CC1(c2ccccc2)CC[NH+](CCN)CC1 ZINC000381606236 993410387 /nfs/dbraw/zinc/41/03/87/993410387.db2.gz PSOWLKPSUNKMBM-UHFFFAOYSA-N 1 3 218.344 1.999 20 0 BDADHO C[C@H]1CN(C[C@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799783 993425459 /nfs/dbraw/zinc/42/54/59/993425459.db2.gz CNZPXQFCLVDGIT-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC001576806041 993429021 /nfs/dbraw/zinc/42/90/21/993429021.db2.gz ALWITKBWAFVTNM-WVWOOGAGSA-N 1 3 248.374 1.193 20 0 BDADHO [NH3+][C@@H]1CCCN(C[C@H]2CCCCO2)CC1 ZINC000382201835 993442528 /nfs/dbraw/zinc/44/25/28/993442528.db2.gz FIHFJJKWHKBEQY-VXGBXAGGSA-N 1 3 212.337 1.369 20 0 BDADHO [NH3+][C@H]1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000382201833 993443636 /nfs/dbraw/zinc/44/36/36/993443636.db2.gz FIHFJJKWHKBEQY-RYUDHWBXSA-N 1 3 212.337 1.369 20 0 BDADHO CC[C@@](C)(CN1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC001576949876 993464410 /nfs/dbraw/zinc/46/44/10/993464410.db2.gz TYDFGKYDAUQOOJ-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@@H](COC)NC[C@H]([NH3+])CC(F)(F)F ZINC001577093063 993501987 /nfs/dbraw/zinc/50/19/87/993501987.db2.gz NYUKWCWQGJPJLQ-SFYZADRCSA-N 1 3 228.258 1.281 20 0 BDADHO CC[C@H](CN[C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577090579 993497728 /nfs/dbraw/zinc/49/77/28/993497728.db2.gz SWJCWAWFJFRHRZ-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@@H]1CCN([C@@H]2C[NH2+]CC[C@@]2(C)O)[C@H]1C ZINC001577262968 993568142 /nfs/dbraw/zinc/56/81/42/993568142.db2.gz NHFJWVRDXVHQLP-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)N1CC[C@@H]([NH2+][C@H]2CCCN(C)CC2)C1 ZINC000389315889 993744413 /nfs/dbraw/zinc/74/44/13/993744413.db2.gz GPGNUTHYGYRUCU-UONOGXRCSA-N 1 3 239.407 1.543 20 0 BDADHO CC1(C)C[N@@H+](C2CCNCC2)CCCO1 ZINC000389864940 993768972 /nfs/dbraw/zinc/76/89/72/993768972.db2.gz GGTQHWPQRDSONI-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CC1(C)C[N@H+](C2CCNCC2)CCCO1 ZINC000389864940 993768977 /nfs/dbraw/zinc/76/89/77/993768977.db2.gz GGTQHWPQRDSONI-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CC1(C)CN(C2CC[NH2+]CC2)CCCO1 ZINC000389864940 993768984 /nfs/dbraw/zinc/76/89/84/993768984.db2.gz GGTQHWPQRDSONI-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C1CCOCC1 ZINC000390535811 993794642 /nfs/dbraw/zinc/79/46/42/993794642.db2.gz KBRFUQUYHLYFNH-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO CCOC(C)(C)C[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC000702680287 994036445 /nfs/dbraw/zinc/03/64/45/994036445.db2.gz ZEGMEMZBKYHGKH-MNOVXSKESA-N 1 3 214.353 1.471 20 0 BDADHO CCOC(C)(C)C[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC000702680287 994036453 /nfs/dbraw/zinc/03/64/53/994036453.db2.gz ZEGMEMZBKYHGKH-MNOVXSKESA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)N(C)C ZINC001282413821 994233356 /nfs/dbraw/zinc/23/33/56/994233356.db2.gz TWHRGGUKBUPQQD-VXGBXAGGSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C(C)C)N(C)C ZINC001282413821 994233363 /nfs/dbraw/zinc/23/33/63/994233363.db2.gz TWHRGGUKBUPQQD-VXGBXAGGSA-N 1 3 243.395 1.172 20 0 BDADHO CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001283238377 994270308 /nfs/dbraw/zinc/27/03/08/994270308.db2.gz HNQZVZTZHPYKAY-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCCSC1 ZINC000822127074 994417709 /nfs/dbraw/zinc/41/77/09/994417709.db2.gz FFAKEAJWNZEFFH-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO C[NH+](C)[C@@H]1C[C@@H](NCC2(O)CCC2)C12CCC2 ZINC001335531581 994803862 /nfs/dbraw/zinc/80/38/62/994803862.db2.gz VNGOLIKYORZWNK-VXGBXAGGSA-N 1 3 238.375 1.364 20 0 BDADHO CC(C)[C@H](CO)[NH2+]CC[C@H]1CCCN1C ZINC000336762204 187322801 /nfs/dbraw/zinc/32/28/01/187322801.db2.gz NXWSYUHWDHIVPG-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO COC[C@@H](C)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000580269763 346815344 /nfs/dbraw/zinc/81/53/44/346815344.db2.gz VJKJDAPWDPFFCC-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOc1cccc(F)c1 ZINC000422942130 398159162 /nfs/dbraw/zinc/15/91/62/398159162.db2.gz KEATYSAOUDUOEM-WDEREUQCSA-N 1 3 240.322 1.920 20 0 BDADHO CCCNC(=O)C1(NCCC[NH3+])CCCCC1 ZINC000415096633 398161529 /nfs/dbraw/zinc/16/15/29/398161529.db2.gz BUVVDFVFMPHVDP-UHFFFAOYSA-N 1 3 241.379 1.154 20 0 BDADHO c1cc(CC[NH2+]C2CCNCC2)cc2c1OCO2 ZINC000258769406 349514391 /nfs/dbraw/zinc/51/43/91/349514391.db2.gz AYIPCEZOALPVHZ-UHFFFAOYSA-N 1 3 248.326 1.299 20 0 BDADHO C[C@H](N[C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023511 398163412 /nfs/dbraw/zinc/16/34/12/398163412.db2.gz JUFWMLGWHQZWCL-GXFFZTMASA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)C1CNC1 ZINC000423023511 398163415 /nfs/dbraw/zinc/16/34/15/398163415.db2.gz JUFWMLGWHQZWCL-GXFFZTMASA-N 1 3 226.364 1.125 20 0 BDADHO c1cc(CCNC2CC[NH2+]CC2)cc2c1OCO2 ZINC000258769406 349514392 /nfs/dbraw/zinc/51/43/92/349514392.db2.gz AYIPCEZOALPVHZ-UHFFFAOYSA-N 1 3 248.326 1.299 20 0 BDADHO C[C@@H](NC1CCC(CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000386007373 398194108 /nfs/dbraw/zinc/19/41/08/398194108.db2.gz LXYUMJQNINQUKO-BLYZHGLHSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1nccnc1[C@H](C)NCC1CC[NH+](C)CC1 ZINC000187964960 398195474 /nfs/dbraw/zinc/19/54/74/398195474.db2.gz GUMKTYDRWHJTQP-LBPRGKRZSA-N 1 3 248.374 1.777 20 0 BDADHO Cc1cc(N2CCN3CCC2CC3)cc[nH+]1 ZINC000302768884 178116863 /nfs/dbraw/zinc/11/68/63/178116863.db2.gz MMDFKHVYJHJFMM-UHFFFAOYSA-N 1 3 217.316 1.674 20 0 BDADHO C[C@H]1OCCN(CCCC2CC[NH2+]CC2)[C@@H]1C ZINC000380588348 398201520 /nfs/dbraw/zinc/20/15/20/398201520.db2.gz SCBNHUFZRDZPPM-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)CC(F)F ZINC000647800626 398206688 /nfs/dbraw/zinc/20/66/88/398206688.db2.gz HZUINWMYZMWCCR-LPEHRKFASA-N 1 3 220.307 1.995 20 0 BDADHO c1cnn(CC[N@H+](C2CC2)C2CCNCC2)c1 ZINC000649408926 398208436 /nfs/dbraw/zinc/20/84/36/398208436.db2.gz JKLVHIZBSZFDHL-UHFFFAOYSA-N 1 3 234.347 1.100 20 0 BDADHO c1cnn(CC[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000649408926 398208442 /nfs/dbraw/zinc/20/84/42/398208442.db2.gz JKLVHIZBSZFDHL-UHFFFAOYSA-N 1 3 234.347 1.100 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000380980442 398215841 /nfs/dbraw/zinc/21/58/41/398215841.db2.gz CHGXLPNFZFJTGS-STQMWFEESA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000380980442 398215844 /nfs/dbraw/zinc/21/58/44/398215844.db2.gz CHGXLPNFZFJTGS-STQMWFEESA-N 1 3 228.380 1.562 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000252782481 136227111 /nfs/dbraw/zinc/22/71/11/136227111.db2.gz NJNJLDKYGPFIOA-HONMWMINSA-N 1 3 232.327 1.900 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000576479980 365607954 /nfs/dbraw/zinc/60/79/54/365607954.db2.gz SPKZMMKVYCVGSZ-NNYUYHANSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc2c(c1)OCO2 ZINC000258932383 349536228 /nfs/dbraw/zinc/53/62/28/349536228.db2.gz JMTVLQXHCVUPTQ-NEPJUHHUSA-N 1 3 248.326 1.427 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000576708100 365665969 /nfs/dbraw/zinc/66/59/69/365665969.db2.gz DKQLMQUQAIADNT-LPWJVIDDSA-N 1 3 228.380 1.371 20 0 BDADHO CC1([NH3+])CCN(CC[C@@H]2CCOC2)CC1 ZINC000381787542 398254849 /nfs/dbraw/zinc/25/48/49/398254849.db2.gz ZGULFASOGNEOPG-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO Cc1cc(C)n(CCN2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000386834922 398266387 /nfs/dbraw/zinc/26/63/87/398266387.db2.gz WOUCKRLHLWSFTN-YPMHNXCESA-N 1 3 236.363 1.169 20 0 BDADHO CCC(CC)N(CCOC)CC(C)(C)[NH3+] ZINC000042681744 168373546 /nfs/dbraw/zinc/37/35/46/168373546.db2.gz ZAJUENOHDLRJBE-UHFFFAOYSA-N 1 3 216.369 1.861 20 0 BDADHO CCOC1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000178443288 538953051 /nfs/dbraw/zinc/95/30/51/538953051.db2.gz DEBZTCUBYLLKPB-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000251271767 398268667 /nfs/dbraw/zinc/26/86/67/398268667.db2.gz LYHXPYPYOBLPQZ-TUAOUCFPSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@H]1CCN(Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000335610923 136237302 /nfs/dbraw/zinc/23/73/02/136237302.db2.gz HCAXYXNUHMOGFA-WCQYABFASA-N 1 3 233.359 1.686 20 0 BDADHO C(C[NH2+]C1CSC1)CN1CCCCC1 ZINC000379611641 538978835 /nfs/dbraw/zinc/97/88/35/538978835.db2.gz URHOPMFLBFNUCH-UHFFFAOYSA-N 1 3 214.378 1.567 20 0 BDADHO C[C@@H](NCc1nccs1)C1CC[NH+](C)CC1 ZINC000041012496 538973989 /nfs/dbraw/zinc/97/39/89/538973989.db2.gz PWUZBGRYPXYUJX-SNVBAGLBSA-N 1 3 239.388 1.963 20 0 BDADHO CN1CC[C@@H](NC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000335626074 136240825 /nfs/dbraw/zinc/24/08/25/136240825.db2.gz XDYWCVFTUKMIKG-HIFRSBDPSA-N 1 3 245.370 1.383 20 0 BDADHO Cn1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335634082 136241552 /nfs/dbraw/zinc/24/15/52/136241552.db2.gz MBAJEZLMRACDHQ-UONOGXRCSA-N 1 3 248.374 1.242 20 0 BDADHO Cn1nccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634217 136241919 /nfs/dbraw/zinc/24/19/19/136241919.db2.gz NSQXKOAFABTUCH-QWHCGFSZSA-N 1 3 248.374 1.242 20 0 BDADHO CC(C)N1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948703 539017700 /nfs/dbraw/zinc/01/77/00/539017700.db2.gz HTZGYVGYROHERD-STQMWFEESA-N 1 3 225.380 1.153 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](CN[C@H]2CCn3ccnc32)CC1 ZINC000333282996 398316891 /nfs/dbraw/zinc/31/68/91/398316891.db2.gz MUETTYKFQLZKIZ-AVGNSLFASA-N 1 3 248.374 1.683 20 0 BDADHO Cc1ccc(C[NH2+]C[C@H](N)C2CC2)s1 ZINC000399485210 398326330 /nfs/dbraw/zinc/32/63/30/398326330.db2.gz RKWFJKQQGJNNOJ-NSHDSACASA-N 1 3 210.346 1.883 20 0 BDADHO COC1CC([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000234689297 342933531 /nfs/dbraw/zinc/93/35/31/342933531.db2.gz BNJYSNSFDGMFET-HIFPTAJRSA-N 1 3 226.364 1.484 20 0 BDADHO COC1CC(NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000234689297 342933533 /nfs/dbraw/zinc/93/35/33/342933533.db2.gz BNJYSNSFDGMFET-HIFPTAJRSA-N 1 3 226.364 1.484 20 0 BDADHO COC1CC(NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000234689297 342933535 /nfs/dbraw/zinc/93/35/35/342933535.db2.gz BNJYSNSFDGMFET-HIFPTAJRSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]([NH3+])CC(=O)N(CCN(C)C)C1CCCC1 ZINC000037825065 398334716 /nfs/dbraw/zinc/33/47/16/398334716.db2.gz DLCBIPCAMLWLHW-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO CCc1ccccc1C[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313358673 259333845 /nfs/dbraw/zinc/33/38/45/259333845.db2.gz QXVGYXIVFJGDIX-HNNXBMFYSA-N 1 3 248.370 1.799 20 0 BDADHO CCc1ccccc1C[N@H+]1CCCO[C@@H](CN)C1 ZINC000313358673 259333846 /nfs/dbraw/zinc/33/38/46/259333846.db2.gz QXVGYXIVFJGDIX-HNNXBMFYSA-N 1 3 248.370 1.799 20 0 BDADHO CC1(C)SC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000307093282 192056321 /nfs/dbraw/zinc/05/63/21/192056321.db2.gz CSUDBBIHBROWPX-UWVGGRQHSA-N 1 3 214.378 1.612 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CCSC1 ZINC000019942809 342963868 /nfs/dbraw/zinc/96/38/68/342963868.db2.gz ZORJXUJOUCBXRN-NSHDSACASA-N 1 3 216.394 1.813 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCSC1 ZINC000019942809 342963869 /nfs/dbraw/zinc/96/38/69/342963869.db2.gz ZORJXUJOUCBXRN-NSHDSACASA-N 1 3 216.394 1.813 20 0 BDADHO C(C[N@@H+]1CCCNCC1)[C@H]1CCCCO1 ZINC000224164514 187228694 /nfs/dbraw/zinc/22/86/94/187228694.db2.gz GRXDFTCXTXLLMJ-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO C(C[N@H+]1CCCNCC1)[C@H]1CCCCO1 ZINC000224164514 187228696 /nfs/dbraw/zinc/22/86/96/187228696.db2.gz GRXDFTCXTXLLMJ-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000042821735 362026213 /nfs/dbraw/zinc/02/62/13/362026213.db2.gz YPLLHDHUWPWLPF-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H](C)Cn1cccn1 ZINC000562956496 323035143 /nfs/dbraw/zinc/03/51/43/323035143.db2.gz ZUKAXFMWWDBYOQ-LBPRGKRZSA-N 1 3 224.352 1.249 20 0 BDADHO C[C@H](O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394415418 259353114 /nfs/dbraw/zinc/35/31/14/259353114.db2.gz BZZWATWSJYDBHK-ACJTYDJDSA-N 1 3 226.364 1.314 20 0 BDADHO C[C@H](O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394415418 259353115 /nfs/dbraw/zinc/35/31/15/259353115.db2.gz BZZWATWSJYDBHK-ACJTYDJDSA-N 1 3 226.364 1.314 20 0 BDADHO C[C@@H](O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394415420 259352824 /nfs/dbraw/zinc/35/28/24/259352824.db2.gz BZZWATWSJYDBHK-FKJOKYEKSA-N 1 3 226.364 1.314 20 0 BDADHO C[C@@H](O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394415420 259352826 /nfs/dbraw/zinc/35/28/26/259352826.db2.gz BZZWATWSJYDBHK-FKJOKYEKSA-N 1 3 226.364 1.314 20 0 BDADHO Cc1nn(C)cc1CN1CCC(CC[NH3+])CC1 ZINC000128260517 343174355 /nfs/dbraw/zinc/17/43/55/343174355.db2.gz PXGVNEGTTITAHI-UHFFFAOYSA-N 1 3 236.363 1.289 20 0 BDADHO CC(C)[C@@H](O)C[NH+]1CCC(N(C)C)CC1 ZINC000087538130 136281794 /nfs/dbraw/zinc/28/17/94/136281794.db2.gz NEEIRKZCFZEFLE-LBPRGKRZSA-N 1 3 214.353 1.029 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667983 136282212 /nfs/dbraw/zinc/28/22/12/136282212.db2.gz UOKXTECDFQDTFZ-GARJFASQSA-N 1 3 214.378 1.599 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@](C)(C[NH3+])C2CC2)O1 ZINC000634687774 343241765 /nfs/dbraw/zinc/24/17/65/343241765.db2.gz YZFCCBWUDDOQJU-ADEWGFFLSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@](C)(C[NH3+])C2CC2)O1 ZINC000634687776 343241895 /nfs/dbraw/zinc/24/18/95/343241895.db2.gz YZFCCBWUDDOQJU-USWWRNFRSA-N 1 3 212.337 1.271 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000634688655 343248328 /nfs/dbraw/zinc/24/83/28/343248328.db2.gz ZQYVBMAZGCXCCH-OCCSQVGLSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000634688655 343248329 /nfs/dbraw/zinc/24/83/29/343248329.db2.gz ZQYVBMAZGCXCCH-OCCSQVGLSA-N 1 3 248.374 1.037 20 0 BDADHO Cc1nccn1CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000348757313 136297596 /nfs/dbraw/zinc/29/75/96/136297596.db2.gz VAOCYXGZXCLIIY-AWEZNQCLSA-N 1 3 248.374 1.267 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000348754938 136297703 /nfs/dbraw/zinc/29/77/03/136297703.db2.gz DTPNKGQRFFTKLJ-AAEUAGOBSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000348754938 136297704 /nfs/dbraw/zinc/29/77/04/136297704.db2.gz DTPNKGQRFFTKLJ-AAEUAGOBSA-N 1 3 236.363 1.251 20 0 BDADHO C[NH2+]C1CCN(CCCn2ccnc2C)CC1 ZINC000348756785 136297817 /nfs/dbraw/zinc/29/78/17/136297817.db2.gz QJBXPOBFPLZSMN-UHFFFAOYSA-N 1 3 236.363 1.265 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@H]1CCN(CC)C1 ZINC000070624131 343336065 /nfs/dbraw/zinc/33/60/65/343336065.db2.gz MLBRZJPXVLNBRW-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H](COC)NC[C@H]1CC[N@H+](CC)C1 ZINC000070624131 343336066 /nfs/dbraw/zinc/33/60/66/343336066.db2.gz MLBRZJPXVLNBRW-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H](COC)NC[C@H]1CC[N@@H+](CC)C1 ZINC000070624131 343336068 /nfs/dbraw/zinc/33/60/68/343336068.db2.gz MLBRZJPXVLNBRW-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO Cn1cncc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335637927 136302824 /nfs/dbraw/zinc/30/28/24/136302824.db2.gz YSSXQUBMHDQEQO-OLZOCXBDSA-N 1 3 248.374 1.242 20 0 BDADHO O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc2c(c1)CNC2 ZINC000335653815 136306245 /nfs/dbraw/zinc/30/62/45/136306245.db2.gz LZLAXQUFCUWUIU-JTQLQIEISA-N 1 3 245.326 1.228 20 0 BDADHO CC(C)(O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918196 187260614 /nfs/dbraw/zinc/26/06/14/187260614.db2.gz PATZABMBWIVXPY-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO CN(C)[C@@H](CNC(=O)C(C)(C)[NH3+])c1ccccc1 ZINC000040924997 343411437 /nfs/dbraw/zinc/41/14/37/343411437.db2.gz UADXULZKWPJLDV-LBPRGKRZSA-N 1 3 249.358 1.143 20 0 BDADHO CC1(CNCc2cscn2)CC[NH2+]CC1 ZINC000082626923 343457193 /nfs/dbraw/zinc/45/71/93/343457193.db2.gz BTTFIMFZQBCUIM-UHFFFAOYSA-N 1 3 225.361 1.622 20 0 BDADHO C[C@@H](O)C[N@H+](CCCN)C1CCCCC1 ZINC000083676400 343495674 /nfs/dbraw/zinc/49/56/74/343495674.db2.gz RKZWFTZBGGQNCW-LLVKDONJSA-N 1 3 214.353 1.351 20 0 BDADHO C[C@@H](O)C[N@@H+](CCCN)C1CCCCC1 ZINC000083676400 343495675 /nfs/dbraw/zinc/49/56/75/343495675.db2.gz RKZWFTZBGGQNCW-LLVKDONJSA-N 1 3 214.353 1.351 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CNCC2=CCCOC2)C1 ZINC000379584273 343577523 /nfs/dbraw/zinc/57/75/23/343577523.db2.gz ULUYCBHBOAMSCN-CYBMUJFWSA-N 1 3 238.375 1.653 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CNCC2=CCCOC2)C1 ZINC000379584273 343577526 /nfs/dbraw/zinc/57/75/26/343577526.db2.gz ULUYCBHBOAMSCN-CYBMUJFWSA-N 1 3 238.375 1.653 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000379584273 343577527 /nfs/dbraw/zinc/57/75/27/343577527.db2.gz ULUYCBHBOAMSCN-CYBMUJFWSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@H](CO[C@@H]1CCOC1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000580580367 365790660 /nfs/dbraw/zinc/79/06/60/365790660.db2.gz AQHIBLMTDOKWFL-MROQNXINSA-N 1 3 242.363 1.040 20 0 BDADHO C[NH2+]CC1CCN(CC2(F)CC2)CC1 ZINC000380170336 343686271 /nfs/dbraw/zinc/68/62/71/343686271.db2.gz DJZALOBGRSURHH-UHFFFAOYSA-N 1 3 200.301 1.420 20 0 BDADHO COCC[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429538483 537805986 /nfs/dbraw/zinc/80/59/86/537805986.db2.gz SVVJTLMQVXFJPC-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429538483 537805994 /nfs/dbraw/zinc/80/59/94/537805994.db2.gz SVVJTLMQVXFJPC-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538483 537806001 /nfs/dbraw/zinc/80/60/01/537806001.db2.gz SVVJTLMQVXFJPC-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO COc1ccc(CCN2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049707578 187357470 /nfs/dbraw/zinc/35/74/70/187357470.db2.gz GWVWTAYJWVNJNN-DOMZBBRYSA-N 1 3 248.370 1.907 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000634733163 344108230 /nfs/dbraw/zinc/10/82/30/344108230.db2.gz YPEJXUYWBAJJLF-LBPRGKRZSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCCOC2)CC1 ZINC000070650286 187358707 /nfs/dbraw/zinc/35/87/07/187358707.db2.gz DREONOZIMAQDGF-CYBMUJFWSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H](N)CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000622044872 344229368 /nfs/dbraw/zinc/22/93/68/344229368.db2.gz WLIWSEYHYSLEHE-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)CN(C)C(C)C ZINC000236664815 187289471 /nfs/dbraw/zinc/28/94/71/187289471.db2.gz KMTWDCVQRFAJBM-ZDUSSCGKSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236776625 187289722 /nfs/dbraw/zinc/28/97/22/187289722.db2.gz PCJVPRNVXWPGBN-QWRGUYRKSA-N 1 3 243.395 1.062 20 0 BDADHO CSCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084216902 344255085 /nfs/dbraw/zinc/25/50/85/344255085.db2.gz OVBLCCPUNLJXQZ-UWVGGRQHSA-N 1 3 202.367 1.457 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]CCCN1CCCC1 ZINC000132250492 344289135 /nfs/dbraw/zinc/28/91/35/344289135.db2.gz WGGMDKMOIRFTHT-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[NH+]1CCCC1 ZINC000132250492 344289137 /nfs/dbraw/zinc/28/91/37/344289137.db2.gz WGGMDKMOIRFTHT-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO Cc1cc(CN2CCC(C[NH3+])CC2)on1 ZINC000044514338 344541523 /nfs/dbraw/zinc/54/15/23/344541523.db2.gz RDSUDFRMORQUTG-UHFFFAOYSA-N 1 3 209.293 1.154 20 0 BDADHO COCCCC[NH+]1CCC(NCCOC)CC1 ZINC000516656980 259377224 /nfs/dbraw/zinc/37/72/24/259377224.db2.gz SAFKNAFMNWKAMQ-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO COc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000158320528 344592163 /nfs/dbraw/zinc/59/21/63/344592163.db2.gz RSKIEALDYQIGPV-LLVKDONJSA-N 1 3 249.358 1.649 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]C1CCN(C)CC1 ZINC000049551829 344652985 /nfs/dbraw/zinc/65/29/85/344652985.db2.gz QCLBXTJZAKRRCE-LLVKDONJSA-N 1 3 213.369 1.010 20 0 BDADHO CC(C)([NH3+])CN1CCN(C(C)(C)C)CC1 ZINC000042463213 187292308 /nfs/dbraw/zinc/29/23/08/187292308.db2.gz AMESZGQUJIWPDS-UHFFFAOYSA-N 1 3 213.369 1.140 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H]1CSC ZINC000399985260 344747031 /nfs/dbraw/zinc/74/70/31/344747031.db2.gz BJJQRHCRPFSSMG-SNVBAGLBSA-N 1 3 202.367 1.423 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H]1CSC ZINC000399985260 344747032 /nfs/dbraw/zinc/74/70/32/344747032.db2.gz BJJQRHCRPFSSMG-SNVBAGLBSA-N 1 3 202.367 1.423 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H]1CSC ZINC000399985260 344747035 /nfs/dbraw/zinc/74/70/35/344747035.db2.gz BJJQRHCRPFSSMG-SNVBAGLBSA-N 1 3 202.367 1.423 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493535102 530057045 /nfs/dbraw/zinc/05/70/45/530057045.db2.gz YZQSQNYVZDASFK-HZSPNIEDSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CCCC[NH+](C)C)n1 ZINC000112716881 187294111 /nfs/dbraw/zinc/29/41/11/187294111.db2.gz UTHRCNFPNHQVHB-UHFFFAOYSA-N 1 3 237.347 1.527 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621497 344957106 /nfs/dbraw/zinc/95/71/06/344957106.db2.gz GQOMWEAJSGZPQZ-OUAUKWLOSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CCSC1 ZINC000224621497 344957107 /nfs/dbraw/zinc/95/71/07/344957107.db2.gz GQOMWEAJSGZPQZ-OUAUKWLOSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCSC1 ZINC000224621497 344957109 /nfs/dbraw/zinc/95/71/09/344957109.db2.gz GQOMWEAJSGZPQZ-OUAUKWLOSA-N 1 3 214.378 1.551 20 0 BDADHO C([C@@H]1CCC[NH2+]C1)N1CCN2CCCC[C@@H]2C1 ZINC000227374650 187297612 /nfs/dbraw/zinc/29/76/12/187297612.db2.gz DQBYNFUWAIGCSJ-ZIAGYGMSSA-N 1 3 237.391 1.156 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000156554937 345175690 /nfs/dbraw/zinc/17/56/90/345175690.db2.gz JDNMREHDHUXTKN-XJFOESAGSA-N 1 3 239.407 1.541 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCCO1 ZINC000634996079 345186653 /nfs/dbraw/zinc/18/66/53/345186653.db2.gz YVLODTCFNZIQTH-ZFQMDJOTSA-N 1 3 224.348 1.286 20 0 BDADHO OC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000156116745 345128846 /nfs/dbraw/zinc/12/88/46/345128846.db2.gz BEQLPIWTWJNSJZ-CHWSQXEVSA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000156116745 345128848 /nfs/dbraw/zinc/12/88/48/345128848.db2.gz BEQLPIWTWJNSJZ-CHWSQXEVSA-N 1 3 238.375 1.508 20 0 BDADHO CC1([NH2+]CC23CC(C2)CN3)Cc2ccccc2C1 ZINC000634993081 345188905 /nfs/dbraw/zinc/18/89/05/345188905.db2.gz KTGLWSXGVOLRCZ-UHFFFAOYSA-N 1 3 242.366 1.886 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCCC23CC3)C1 ZINC000634997597 345197336 /nfs/dbraw/zinc/19/73/36/345197336.db2.gz OOVGMDMKYVSEMM-TUAOUCFPSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CN(Cc2cccs2)C[C@H]1C[NH3+] ZINC000634998701 345198468 /nfs/dbraw/zinc/19/84/68/345198468.db2.gz JLRFVPFQGOQZHN-VHSXEESVSA-N 1 3 210.346 1.775 20 0 BDADHO Cc1nccnc1[C@H](C)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003297 345205429 /nfs/dbraw/zinc/20/54/29/345205429.db2.gz BQUBJHRQJZBNSV-AVGNSLFASA-N 1 3 248.374 1.953 20 0 BDADHO CC(C)(F)C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000635002965 345205595 /nfs/dbraw/zinc/20/55/95/345205595.db2.gz CLAVCRIJHBFHRG-VHSXEESVSA-N 1 3 202.317 1.984 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000635003899 345206766 /nfs/dbraw/zinc/20/67/66/345206766.db2.gz MJCMEXPPNSQOHM-IJLUTSLNSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1nccn1C ZINC000635006372 345210698 /nfs/dbraw/zinc/21/06/98/345210698.db2.gz MISOWYLQNAVVQT-SRVKXCTJSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2c1CCOC2 ZINC000635014200 345219183 /nfs/dbraw/zinc/21/91/83/345219183.db2.gz ZBVJFMAKRVCPKK-NEPJUHHUSA-N 1 3 248.370 1.975 20 0 BDADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH+](C)C ZINC000635255062 345288996 /nfs/dbraw/zinc/28/89/96/345288996.db2.gz KTYACGLGYMMFHW-NSHDSACASA-N 1 3 243.395 1.031 20 0 BDADHO CN1CC=C(C[NH2+]C2CCSCC2)CC1 ZINC000335600515 345416491 /nfs/dbraw/zinc/41/64/91/345416491.db2.gz GKIBCSNUGAPLFW-UHFFFAOYSA-N 1 3 226.389 1.734 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCCOCC1 ZINC000221038062 535002720 /nfs/dbraw/zinc/00/27/20/535002720.db2.gz WWVGIGXMUGCIPW-ZDUSSCGKSA-N 1 3 228.380 1.875 20 0 BDADHO CC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000149208094 345715292 /nfs/dbraw/zinc/71/52/92/345715292.db2.gz KIVNOFCQZZLTPO-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363576743 345798432 /nfs/dbraw/zinc/79/84/32/345798432.db2.gz CPUYYNNVOGNHHE-SYQHCUMBSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363576743 345798434 /nfs/dbraw/zinc/79/84/34/345798434.db2.gz CPUYYNNVOGNHHE-SYQHCUMBSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363576741 345798464 /nfs/dbraw/zinc/79/84/64/345798464.db2.gz CPUYYNNVOGNHHE-AAVRWANBSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363576741 345798466 /nfs/dbraw/zinc/79/84/66/345798466.db2.gz CPUYYNNVOGNHHE-AAVRWANBSA-N 1 3 238.375 1.173 20 0 BDADHO NCC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000143358925 345865243 /nfs/dbraw/zinc/86/52/43/345865243.db2.gz YGUHPNNVDJSGDS-UHFFFAOYSA-N 1 3 230.355 1.925 20 0 BDADHO C([C@@H]1CCC[NH2+]C1)N1CCN2CCCC[C@H]2C1 ZINC000094439560 187361102 /nfs/dbraw/zinc/36/11/02/187361102.db2.gz DQBYNFUWAIGCSJ-KGLIPLIRSA-N 1 3 237.391 1.156 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2ccncc2N)C1 ZINC000641759672 362691386 /nfs/dbraw/zinc/69/13/86/362691386.db2.gz FZXFKAKJINJPBL-GFCCVEGCSA-N 1 3 248.374 1.485 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2ccncc2N)C1 ZINC000641759672 362691393 /nfs/dbraw/zinc/69/13/93/362691393.db2.gz FZXFKAKJINJPBL-GFCCVEGCSA-N 1 3 248.374 1.485 20 0 BDADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052826 346359429 /nfs/dbraw/zinc/35/94/29/346359429.db2.gz WCDHLTYOIBGRKE-FRRDWIJNSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052826 346359433 /nfs/dbraw/zinc/35/94/33/346359433.db2.gz WCDHLTYOIBGRKE-FRRDWIJNSA-N 1 3 225.380 1.153 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)NCC1(C)CCC1 ZINC000641771440 362710528 /nfs/dbraw/zinc/71/05/28/362710528.db2.gz IMQZVSFMPKERFQ-CYBMUJFWSA-N 1 3 242.407 1.859 20 0 BDADHO Cc1cccc(C[N@@H+]2CCCO[C@H](CN)C2)c1C ZINC000313345294 179074450 /nfs/dbraw/zinc/07/44/50/179074450.db2.gz FJJOMIJDVIKWJB-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1cccc(C[N@H+]2CCCO[C@H](CN)C2)c1C ZINC000313345294 179074453 /nfs/dbraw/zinc/07/44/53/179074453.db2.gz FJJOMIJDVIKWJB-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO CSC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000300856643 346519969 /nfs/dbraw/zinc/51/99/69/346519969.db2.gz ONZGQUIMGPBDLK-LLVKDONJSA-N 1 3 228.405 1.813 20 0 BDADHO CSC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000300856643 346519971 /nfs/dbraw/zinc/51/99/71/346519971.db2.gz ONZGQUIMGPBDLK-LLVKDONJSA-N 1 3 228.405 1.813 20 0 BDADHO Cn1cncc1CCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000641801257 362755382 /nfs/dbraw/zinc/75/53/82/362755382.db2.gz OPFXZRZORBWOAM-NWDGAFQWSA-N 1 3 236.363 1.068 20 0 BDADHO Cn1cncc1CCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641801257 362755390 /nfs/dbraw/zinc/75/53/90/362755390.db2.gz OPFXZRZORBWOAM-NWDGAFQWSA-N 1 3 236.363 1.068 20 0 BDADHO CCCCNC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000641803010 362759425 /nfs/dbraw/zinc/75/94/25/362759425.db2.gz QWOFEEKPLVOOHY-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](CCCO)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000087358848 365862798 /nfs/dbraw/zinc/86/27/98/365862798.db2.gz WEALGBUWPDUOEY-VWYCJHECSA-N 1 3 200.326 1.007 20 0 BDADHO CCSCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327647 347214335 /nfs/dbraw/zinc/21/43/35/347214335.db2.gz YEDCWDNMBRIGAL-NXEZZACHSA-N 1 3 202.367 1.266 20 0 BDADHO CCSCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327647 347214339 /nfs/dbraw/zinc/21/43/39/347214339.db2.gz YEDCWDNMBRIGAL-NXEZZACHSA-N 1 3 202.367 1.266 20 0 BDADHO CCSCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327647 347214342 /nfs/dbraw/zinc/21/43/42/347214342.db2.gz YEDCWDNMBRIGAL-NXEZZACHSA-N 1 3 202.367 1.266 20 0 BDADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000334430277 347411059 /nfs/dbraw/zinc/41/10/59/347411059.db2.gz VADFYAQFQWJMOF-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCCCO1 ZINC000250806200 362822523 /nfs/dbraw/zinc/82/25/23/362822523.db2.gz CODWDSUDFZCFFS-QWHCGFSZSA-N 1 3 226.364 1.759 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000577214581 365884340 /nfs/dbraw/zinc/88/43/40/365884340.db2.gz MWKWSTSLWVTUFI-RQJABVFESA-N 1 3 240.391 1.922 20 0 BDADHO CN(CCC[NH+](C)C)CC[C@@H]1CCOC1 ZINC000577248145 365898529 /nfs/dbraw/zinc/89/85/29/365898529.db2.gz UAEQUGSCSHZCRI-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO C[C@H](CN1CCCCC1)NC(=O)CCCC[NH3+] ZINC000070201709 349976129 /nfs/dbraw/zinc/97/61/29/349976129.db2.gz RIHMHKSDBVTJRW-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO c1cnn(CCCCCN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000591373865 347649798 /nfs/dbraw/zinc/64/97/98/347649798.db2.gz HBHUNXIJXFGNDX-KBPBESRZSA-N 1 3 248.374 1.205 20 0 BDADHO CC[NH+]1CCC(NCCc2cscn2)CC1 ZINC000082626146 348158683 /nfs/dbraw/zinc/15/86/83/348158683.db2.gz QGOZJVKKBMQNMO-UHFFFAOYSA-N 1 3 239.388 1.760 20 0 BDADHO Cc1cccnc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000161771935 179373324 /nfs/dbraw/zinc/37/33/24/179373324.db2.gz DGKBZFXPQCPJNW-LBPRGKRZSA-N 1 3 233.359 1.949 20 0 BDADHO CC[NH+]1CCC(NCCc2ccco2)CC1 ZINC000035121619 358454091 /nfs/dbraw/zinc/45/40/91/358454091.db2.gz PCFQKUKAHKGHNJ-UHFFFAOYSA-N 1 3 222.332 1.896 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@@H](C[NH3+])C[C@H]2C)O1 ZINC000251694541 362899399 /nfs/dbraw/zinc/89/93/99/362899399.db2.gz HJFQXFQBAMJLED-DDHJBXDOSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](CN)C[C@H]2C)O1 ZINC000251694541 362899401 /nfs/dbraw/zinc/89/94/01/362899401.db2.gz HJFQXFQBAMJLED-DDHJBXDOSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](CN)C[C@H]2C)O1 ZINC000251694541 362899405 /nfs/dbraw/zinc/89/94/05/362899405.db2.gz HJFQXFQBAMJLED-DDHJBXDOSA-N 1 3 212.337 1.223 20 0 BDADHO CCSC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000596649596 348605024 /nfs/dbraw/zinc/60/50/24/348605024.db2.gz CSNKWRCTHOUDDS-QWRGUYRKSA-N 1 3 228.405 1.989 20 0 BDADHO CCSC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000596649594 348605446 /nfs/dbraw/zinc/60/54/46/348605446.db2.gz CSNKWRCTHOUDDS-GHMZBOCLSA-N 1 3 228.405 1.989 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000249103390 349155840 /nfs/dbraw/zinc/15/58/40/349155840.db2.gz VADRAAFRJVPMJX-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000249103390 349155842 /nfs/dbraw/zinc/15/58/42/349155842.db2.gz VADRAAFRJVPMJX-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CC[C@H]1CCCO1 ZINC000251697419 349173369 /nfs/dbraw/zinc/17/33/69/349173369.db2.gz BCDMCJMCPHYNAA-IJLUTSLNSA-N 1 3 212.337 1.367 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000252140382 349196892 /nfs/dbraw/zinc/19/68/92/349196892.db2.gz NDHWLXADEJOHJQ-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623524995 362945276 /nfs/dbraw/zinc/94/52/76/362945276.db2.gz ROBSJLHKUVCADH-NWDGAFQWSA-N 1 3 227.396 1.399 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CCCN)C12CCCC2 ZINC000082945703 349350533 /nfs/dbraw/zinc/35/05/33/349350533.db2.gz RIJRECGOLWECED-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH3+])C12CCCC2 ZINC000082945703 349350537 /nfs/dbraw/zinc/35/05/37/349350537.db2.gz RIJRECGOLWECED-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN)C12CCCC2 ZINC000082945704 349350684 /nfs/dbraw/zinc/35/06/84/349350684.db2.gz RIJRECGOLWECED-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH3+])C12CCCC2 ZINC000082945704 349350687 /nfs/dbraw/zinc/35/06/87/349350687.db2.gz RIJRECGOLWECED-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCOCCN(C)C ZINC000336662377 538041502 /nfs/dbraw/zinc/04/15/02/538041502.db2.gz KFYYPKHPFZBGOF-STQMWFEESA-N 1 3 228.380 1.589 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCNCC1(C)C ZINC000300914672 349429504 /nfs/dbraw/zinc/42/95/04/349429504.db2.gz XVKYVXGTAYIPII-GHMZBOCLSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@H](c1cnccn1)N1CCC([C@H](C)[NH3+])CC1 ZINC000070480053 350014883 /nfs/dbraw/zinc/01/48/83/350014883.db2.gz ZDEIPDMDOJTVDB-WDEREUQCSA-N 1 3 234.347 1.597 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000302378305 350083429 /nfs/dbraw/zinc/08/34/29/350083429.db2.gz SOHGIIYXDXBFGE-AVGNSLFASA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CCCC[C@@H]1O ZINC000302378305 350083434 /nfs/dbraw/zinc/08/34/34/350083434.db2.gz SOHGIIYXDXBFGE-AVGNSLFASA-N 1 3 240.391 1.515 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000132425884 191032122 /nfs/dbraw/zinc/03/21/22/191032122.db2.gz BREAZFHGKSCXPY-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO CCOC1CC([NH2+]C[C@H]2CCN(CC)C2)C1 ZINC000162781702 350427002 /nfs/dbraw/zinc/42/70/02/350427002.db2.gz FTLLJIRXNBNKTN-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@H+](CCCN)C1Cc2ccccc2C1 ZINC000227743140 350513263 /nfs/dbraw/zinc/51/32/63/350513263.db2.gz RMACWUGQGKZIIZ-UHFFFAOYSA-N 1 3 204.317 1.434 20 0 BDADHO C[N@@H+](CCCN)C1Cc2ccccc2C1 ZINC000227743140 350513267 /nfs/dbraw/zinc/51/32/67/350513267.db2.gz RMACWUGQGKZIIZ-UHFFFAOYSA-N 1 3 204.317 1.434 20 0 BDADHO CCN1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000336653217 350586925 /nfs/dbraw/zinc/58/69/25/350586925.db2.gz GBRRMYFRXLQPMN-GFCCVEGCSA-N 1 3 227.396 1.258 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559985 362983662 /nfs/dbraw/zinc/98/36/62/362983662.db2.gz RDPVXFXCGZWQPA-LPWJVIDDSA-N 1 3 238.375 1.769 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559985 362983665 /nfs/dbraw/zinc/98/36/65/362983665.db2.gz RDPVXFXCGZWQPA-LPWJVIDDSA-N 1 3 238.375 1.769 20 0 BDADHO CCCC[C@@H](COC)NC[C@H](C)C[NH+](C)C ZINC000336676660 350883234 /nfs/dbraw/zinc/88/32/34/350883234.db2.gz BVTGXGPTCVMQMJ-STQMWFEESA-N 1 3 230.396 1.979 20 0 BDADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000250813166 535157921 /nfs/dbraw/zinc/15/79/21/535157921.db2.gz VRVOXQQZVTXNRN-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000250813166 535157925 /nfs/dbraw/zinc/15/79/25/535157925.db2.gz VRVOXQQZVTXNRN-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO Cc1ncc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000628327193 351263618 /nfs/dbraw/zinc/26/36/18/351263618.db2.gz MTEMTJAYSKXEDJ-PHIMTYICSA-N 1 3 223.320 1.413 20 0 BDADHO CC[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N(C)C ZINC000637807782 351644660 /nfs/dbraw/zinc/64/46/60/351644660.db2.gz NWQRFSJYOCUBCV-QJPTWQEYSA-N 1 3 241.379 1.055 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1ccccc1C[NH2+]CC ZINC000637809097 351645664 /nfs/dbraw/zinc/64/56/64/351645664.db2.gz PNIHLOAIHCQPOE-NSHDSACASA-N 1 3 249.358 1.733 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252727649 538101112 /nfs/dbraw/zinc/10/11/12/538101112.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000252727649 538101114 /nfs/dbraw/zinc/10/11/14/538101114.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252727649 538101115 /nfs/dbraw/zinc/10/11/15/538101115.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252727649 538101116 /nfs/dbraw/zinc/10/11/16/538101116.db2.gz LMAWHYNLKLPDIC-AVGNSLFASA-N 1 3 226.364 1.031 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768957 366056111 /nfs/dbraw/zinc/05/61/11/366056111.db2.gz YIHUKHSDVVNEDN-YTWAJWBKSA-N 1 3 248.317 1.395 20 0 BDADHO CCCCOCCN[C@@](C)(C[NH3+])C(C)C ZINC000336737138 351930437 /nfs/dbraw/zinc/93/04/37/351930437.db2.gz JDGRFZWWNOYTKU-LBPRGKRZSA-N 1 3 216.369 1.766 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)CN(C)CC(C)(C)C ZINC000638252576 352096024 /nfs/dbraw/zinc/09/60/24/352096024.db2.gz UGPVWJFCGFILIT-NSHDSACASA-N 1 3 243.395 1.208 20 0 BDADHO CC[NH+](CC)CCCN1CCCN(C)CC1 ZINC000411158332 191163101 /nfs/dbraw/zinc/16/31/01/191163101.db2.gz SFNPRNJCVWRCHG-UHFFFAOYSA-N 1 3 227.396 1.356 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638409439 352218914 /nfs/dbraw/zinc/21/89/14/352218914.db2.gz MHDKIBGIAZPOLH-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO FC[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000218546987 363130850 /nfs/dbraw/zinc/13/08/50/363130850.db2.gz LDLNCQATVFWQEP-JTQLQIEISA-N 1 3 200.301 1.420 20 0 BDADHO FC[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000218546987 363130854 /nfs/dbraw/zinc/13/08/54/363130854.db2.gz LDLNCQATVFWQEP-JTQLQIEISA-N 1 3 200.301 1.420 20 0 BDADHO FC[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000218546987 363130857 /nfs/dbraw/zinc/13/08/57/363130857.db2.gz LDLNCQATVFWQEP-JTQLQIEISA-N 1 3 200.301 1.420 20 0 BDADHO CCN(CC[NH3+])C(=O)C[C@@H]1NCc2ccccc21 ZINC000638512772 352339348 /nfs/dbraw/zinc/33/93/48/352339348.db2.gz MJKZUXZORVFAEN-ZDUSSCGKSA-N 1 3 247.342 1.028 20 0 BDADHO Cc1ccc(CCCN[C@H](C)[C@H](C)[NH3+])cn1 ZINC000415008531 352512612 /nfs/dbraw/zinc/51/26/12/352512612.db2.gz FDOGGLJNAGTBII-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCC([NH+](C)C)CC2)CCO1 ZINC000334253317 352890628 /nfs/dbraw/zinc/89/06/28/352890628.db2.gz XAYQGZXJXUBRGL-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC1(F)F ZINC000638839220 353016366 /nfs/dbraw/zinc/01/63/66/353016366.db2.gz ZVCRKKGQKHGXQB-GXSJLCMTSA-N 1 3 230.302 1.882 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+]CC1=CCN(C)CC1 ZINC000638838381 353023360 /nfs/dbraw/zinc/02/33/60/353023360.db2.gz HTOYHAMCTIJRHQ-GFCCVEGCSA-N 1 3 246.358 1.259 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000398681567 353128889 /nfs/dbraw/zinc/12/88/89/353128889.db2.gz NSEZYHVSCBBCQU-NNYUYHANSA-N 1 3 214.353 1.253 20 0 BDADHO COc1ccc(CCN2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000251661549 188047613 /nfs/dbraw/zinc/04/76/13/188047613.db2.gz GWVWTAYJWVNJNN-IUODEOHRSA-N 1 3 248.370 1.907 20 0 BDADHO C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@@H]2CCCOC2)C1 ZINC000093453297 188049708 /nfs/dbraw/zinc/04/97/08/188049708.db2.gz VLLHPIXBQIXUPB-YIYPIFLZSA-N 1 3 238.375 1.676 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCOC[C@H]1C1CC1 ZINC000336409232 188056428 /nfs/dbraw/zinc/05/64/28/188056428.db2.gz NZTXOAFWMHHFQI-ZDUSSCGKSA-N 1 3 224.348 1.097 20 0 BDADHO CC[C@H](N)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975568 353182452 /nfs/dbraw/zinc/18/24/52/353182452.db2.gz LLNIJBANAVVRRH-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000343273518 353302166 /nfs/dbraw/zinc/30/21/66/353302166.db2.gz YEDFAKQPIGBWDK-MBNYWOFBSA-N 1 3 237.391 1.010 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915929 354040237 /nfs/dbraw/zinc/04/02/37/354040237.db2.gz GALPHUXYVTXSRE-CHWSQXEVSA-N 1 3 242.407 1.810 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915929 354040240 /nfs/dbraw/zinc/04/02/40/354040240.db2.gz GALPHUXYVTXSRE-CHWSQXEVSA-N 1 3 242.407 1.810 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000343915929 354040245 /nfs/dbraw/zinc/04/02/45/354040245.db2.gz GALPHUXYVTXSRE-CHWSQXEVSA-N 1 3 242.407 1.810 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915930 354040543 /nfs/dbraw/zinc/04/05/43/354040543.db2.gz GALPHUXYVTXSRE-OLZOCXBDSA-N 1 3 242.407 1.810 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915930 354040546 /nfs/dbraw/zinc/04/05/46/354040546.db2.gz GALPHUXYVTXSRE-OLZOCXBDSA-N 1 3 242.407 1.810 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(C[C@H](O)C(C)(C)C)CC1 ZINC000343915930 354040549 /nfs/dbraw/zinc/04/05/49/354040549.db2.gz GALPHUXYVTXSRE-OLZOCXBDSA-N 1 3 242.407 1.810 20 0 BDADHO CN(CCC[NH2+]C1CCNCC1)c1ccccc1 ZINC000038040521 358482214 /nfs/dbraw/zinc/48/22/14/358482214.db2.gz PSKJCCQFGNPWKW-UHFFFAOYSA-N 1 3 247.386 1.855 20 0 BDADHO CN(CCCNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040521 358482215 /nfs/dbraw/zinc/48/22/15/358482215.db2.gz PSKJCCQFGNPWKW-UHFFFAOYSA-N 1 3 247.386 1.855 20 0 BDADHO C[C@@H](F)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000344028051 354089566 /nfs/dbraw/zinc/08/95/66/354089566.db2.gz LZRPDHGUCSKNDJ-CYBMUJFWSA-N 1 3 247.402 1.550 20 0 BDADHO C[C@@H](F)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344028051 354089569 /nfs/dbraw/zinc/08/95/69/354089569.db2.gz LZRPDHGUCSKNDJ-CYBMUJFWSA-N 1 3 247.402 1.550 20 0 BDADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000344304469 354215606 /nfs/dbraw/zinc/21/56/06/354215606.db2.gz UKIMGRNKFYCXTD-OCCSQVGLSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@@H]1[N@H+](CCCN)CCC12CCOCC2 ZINC000334837165 491062505 /nfs/dbraw/zinc/06/25/05/491062505.db2.gz JWFNMOXYDFEVIL-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1[N@@H+](CCCN)CCC12CCOCC2 ZINC000334837165 491062506 /nfs/dbraw/zinc/06/25/06/491062506.db2.gz JWFNMOXYDFEVIL-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO CC(C)COCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000232673931 363377859 /nfs/dbraw/zinc/37/78/59/363377859.db2.gz DQZMEJYTCNNYNW-NEPJUHHUSA-N 1 3 214.353 1.328 20 0 BDADHO CC(C)OCCN1CC[C@](C)(C[NH3+])C1 ZINC000232702153 363380241 /nfs/dbraw/zinc/38/02/41/363380241.db2.gz RZCAMRWRKDHEBW-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000232702153 363380247 /nfs/dbraw/zinc/38/02/47/363380247.db2.gz RZCAMRWRKDHEBW-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@](C)(CN)C1 ZINC000232702153 363380250 /nfs/dbraw/zinc/38/02/50/363380250.db2.gz RZCAMRWRKDHEBW-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO Cc1c[nH+]ccc1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000335165933 354922831 /nfs/dbraw/zinc/92/28/31/354922831.db2.gz KNPKHUGQMYYIRB-RYUDHWBXSA-N 1 3 231.343 1.849 20 0 BDADHO CCOCCCN1CC[C@H]([NH2+]CCF)[C@H](C)C1 ZINC000346557824 354967757 /nfs/dbraw/zinc/96/77/57/354967757.db2.gz ITCLIZNYFYLSBD-OLZOCXBDSA-N 1 3 246.370 1.683 20 0 BDADHO CCC1(C[N@@H+]2CC[C@@H]([C@H](C)N)C2)CCOCC1 ZINC000346691041 355075315 /nfs/dbraw/zinc/07/53/15/355075315.db2.gz UVHRQNQSBCYTQX-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@@H]([C@H](C)N)C2)CCOCC1 ZINC000346691041 355075317 /nfs/dbraw/zinc/07/53/17/355075317.db2.gz UVHRQNQSBCYTQX-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO COC1CCC(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000422836942 192484808 /nfs/dbraw/zinc/48/48/08/192484808.db2.gz LAPIXOROGSYFQF-HHTDUIENSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1n[nH]cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346827901 355127370 /nfs/dbraw/zinc/12/73/70/355127370.db2.gz MUEJMMRRWDCLPZ-UHTWSYAYSA-N 1 3 234.347 1.277 20 0 BDADHO Cc1n[nH]cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346827903 355127814 /nfs/dbraw/zinc/12/78/14/355127814.db2.gz MUEJMMRRWDCLPZ-WCFLWFBJSA-N 1 3 234.347 1.277 20 0 BDADHO C[C@H](CCN[C@@H](C)CC(N)=O)[NH+]1CCCCC1 ZINC000346865939 355133414 /nfs/dbraw/zinc/13/34/14/355133414.db2.gz OVOJKJKKFZRTPS-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC[NH2+][C@@H](C)CC(N)=O)N1CCCCC1 ZINC000346865939 355133417 /nfs/dbraw/zinc/13/34/17/355133417.db2.gz OVOJKJKKFZRTPS-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346988470 355189366 /nfs/dbraw/zinc/18/93/66/355189366.db2.gz RGKCPIQJFVCVKO-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO CCOC[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346996100 355194427 /nfs/dbraw/zinc/19/44/27/355194427.db2.gz WJDWGJLQAHVVMS-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346996100 355194433 /nfs/dbraw/zinc/19/44/33/355194433.db2.gz WJDWGJLQAHVVMS-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346996100 355194437 /nfs/dbraw/zinc/19/44/37/355194437.db2.gz WJDWGJLQAHVVMS-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO COC(=O)CC1(NC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000346996822 355195024 /nfs/dbraw/zinc/19/50/24/355195024.db2.gz DAJZMCLJPZVPCS-LLVKDONJSA-N 1 3 240.347 1.061 20 0 BDADHO COC(=O)CC1([NH2+]C[C@@H]2CCCNC2)CCC1 ZINC000346996822 355195025 /nfs/dbraw/zinc/19/50/25/355195025.db2.gz DAJZMCLJPZVPCS-LLVKDONJSA-N 1 3 240.347 1.061 20 0 BDADHO CC[C@@H]1C[C@H](CN2CCC[C@H]2C[NH3+])CCO1 ZINC000347011692 355204301 /nfs/dbraw/zinc/20/43/01/355204301.db2.gz GTXOPLKLOZLYPH-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H](NCCCC[NH+](C)C)c1ccn(C)n1 ZINC000349465055 355386545 /nfs/dbraw/zinc/38/65/45/355386545.db2.gz UOXYBVHBRMNICH-LBPRGKRZSA-N 1 3 238.379 1.803 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000335774929 355399874 /nfs/dbraw/zinc/39/98/74/355399874.db2.gz YPDDULWIRHSRQU-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000335774929 355399878 /nfs/dbraw/zinc/39/98/78/355399878.db2.gz YPDDULWIRHSRQU-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@@H](COC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825781 191588270 /nfs/dbraw/zinc/58/82/70/191588270.db2.gz HQZMGEQBDFJJSE-WSMDXJOWSA-N 1 3 212.337 1.284 20 0 BDADHO CCOC[C@@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000414831551 191591193 /nfs/dbraw/zinc/59/11/93/191591193.db2.gz CLULFWRCDSJLAF-GHMZBOCLSA-N 1 3 202.342 1.374 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)c1cccc(CN(C)C)c1 ZINC000349941314 355532645 /nfs/dbraw/zinc/53/26/45/355532645.db2.gz WTGCWJTVJLOJGK-NSHDSACASA-N 1 3 249.358 1.215 20 0 BDADHO COc1ccc(CCNC[C@]2(C)CC[NH2+]C2)cc1 ZINC000415086356 191673644 /nfs/dbraw/zinc/67/36/44/191673644.db2.gz UKXKNEJAVFMVGW-HNNXBMFYSA-N 1 3 248.370 1.827 20 0 BDADHO CO[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000639347747 355794510 /nfs/dbraw/zinc/79/45/10/355794510.db2.gz PIIUZNXOGJVXAO-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CNC[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347747 355794511 /nfs/dbraw/zinc/79/45/11/355794511.db2.gz PIIUZNXOGJVXAO-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CNC[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347747 355794514 /nfs/dbraw/zinc/79/45/14/355794514.db2.gz PIIUZNXOGJVXAO-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000639347746 355794543 /nfs/dbraw/zinc/79/45/43/355794543.db2.gz PIIUZNXOGJVXAO-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](CNC[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347746 355794545 /nfs/dbraw/zinc/79/45/45/355794545.db2.gz PIIUZNXOGJVXAO-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](CNC[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347746 355794549 /nfs/dbraw/zinc/79/45/49/355794549.db2.gz PIIUZNXOGJVXAO-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO COc1cccc(CN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000216035473 355798975 /nfs/dbraw/zinc/79/89/75/355798975.db2.gz SQDDZDPJYZROHE-YPMHNXCESA-N 1 3 234.343 1.864 20 0 BDADHO CCN1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000166885038 355862011 /nfs/dbraw/zinc/86/20/11/355862011.db2.gz BNBHNRJHVCKFOC-CYBMUJFWSA-N 1 3 225.380 1.155 20 0 BDADHO COc1cc(CNCCC[NH3+])ccc1C ZINC000163276490 491087108 /nfs/dbraw/zinc/08/71/08/491087108.db2.gz HVUJPWBVHVNJOS-UHFFFAOYSA-N 1 3 208.305 1.442 20 0 BDADHO CCC[C@H]1CCC[N@H+](CCN2CCNCC2)C1 ZINC000420296037 192205996 /nfs/dbraw/zinc/20/59/96/192205996.db2.gz CWLJCULNZVIVQN-AWEZNQCLSA-N 1 3 239.407 1.404 20 0 BDADHO CCC[C@H]1CCC[N@@H+](CCN2CCNCC2)C1 ZINC000420296037 192205998 /nfs/dbraw/zinc/20/59/98/192205998.db2.gz CWLJCULNZVIVQN-AWEZNQCLSA-N 1 3 239.407 1.404 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H](C[NH2+]C)C1 ZINC000420305725 192208463 /nfs/dbraw/zinc/20/84/63/192208463.db2.gz ZEXNNTJCIXGLKW-GFCCVEGCSA-N 1 3 242.363 1.261 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420307001 192208888 /nfs/dbraw/zinc/20/88/88/192208888.db2.gz LOQWOKNKEHXERE-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CC[NH+](CC)CCCN1CCNC[C@@](C)(F)C1 ZINC000420322549 192228207 /nfs/dbraw/zinc/22/82/07/192228207.db2.gz AKFAKOKXASEUAN-CYBMUJFWSA-N 1 3 245.386 1.352 20 0 BDADHO CC(C)OCCN[C@@H](C[NH3+])C(C)(C)C ZINC000420372529 192230737 /nfs/dbraw/zinc/23/07/37/192230737.db2.gz YCKDKWCPEJYDNI-JTQLQIEISA-N 1 3 202.342 1.374 20 0 BDADHO CC[C@@H](c1ccccc1)N(C)C[C@@H](O)C[NH3+] ZINC000420357691 192220245 /nfs/dbraw/zinc/22/02/45/192220245.db2.gz SLLCRVMFVPKMCD-STQMWFEESA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN ZINC000420357691 192220248 /nfs/dbraw/zinc/22/02/48/192220248.db2.gz SLLCRVMFVPKMCD-STQMWFEESA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CN ZINC000420357691 192220250 /nfs/dbraw/zinc/22/02/50/192220250.db2.gz SLLCRVMFVPKMCD-STQMWFEESA-N 1 3 222.332 1.389 20 0 BDADHO CC(C)[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420359973 192221432 /nfs/dbraw/zinc/22/14/32/192221432.db2.gz LITUJIATPWDDOS-KGLIPLIRSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](CN(C)CCOCC[NH3+])c1nccs1 ZINC000420365116 192224485 /nfs/dbraw/zinc/22/44/85/192224485.db2.gz RUPQLHCNIGTMNX-JTQLQIEISA-N 1 3 243.376 1.154 20 0 BDADHO C(CN1CCOC[C@@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000420368362 192225190 /nfs/dbraw/zinc/22/51/90/192225190.db2.gz WQNQGCFSEBCILI-TZMCWYRMSA-N 1 3 238.375 1.487 20 0 BDADHO C[NH2+]CCCN[C@H](C)[C@@H]1COc2ccccc21 ZINC000420394070 192237269 /nfs/dbraw/zinc/23/72/69/192237269.db2.gz CLQOBIGJNOBRGW-YPMHNXCESA-N 1 3 234.343 1.750 20 0 BDADHO CC(C)OCCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420396983 192237417 /nfs/dbraw/zinc/23/74/17/192237417.db2.gz FPLZBMVWRNTCCW-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000420396983 192237420 /nfs/dbraw/zinc/23/74/20/192237420.db2.gz FPLZBMVWRNTCCW-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000420396983 192237422 /nfs/dbraw/zinc/23/74/22/192237422.db2.gz FPLZBMVWRNTCCW-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1NCC[NH3+] ZINC000420404954 192238202 /nfs/dbraw/zinc/23/82/02/192238202.db2.gz MMNUCOFQZSRLSS-QWRGUYRKSA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCCN ZINC000420414067 192240406 /nfs/dbraw/zinc/24/04/06/192240406.db2.gz UGBSTMRXPVBDGZ-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1NCCC[NH3+] ZINC000420414067 192240408 /nfs/dbraw/zinc/24/04/08/192240408.db2.gz UGBSTMRXPVBDGZ-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO c1c[nH]c([C@@H]2CCCN2CCC2CC[NH2+]CC2)n1 ZINC000420376617 192232003 /nfs/dbraw/zinc/23/20/03/192232003.db2.gz QVBOSSFXYARSDZ-ZDUSSCGKSA-N 1 3 248.374 1.936 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN(C)CCC[NH+]1CCCC1 ZINC000639621960 356540732 /nfs/dbraw/zinc/54/07/32/356540732.db2.gz CCKAZQXSOXCXNA-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1OCC[C@H]1CN(C)CCC[NH+]1CCCC1 ZINC000639621959 356541327 /nfs/dbraw/zinc/54/13/27/356541327.db2.gz CCKAZQXSOXCXNA-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197906 134127172 /nfs/dbraw/zinc/12/71/72/134127172.db2.gz RFNXHASTPNTHEE-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197906 134127173 /nfs/dbraw/zinc/12/71/73/134127173.db2.gz RFNXHASTPNTHEE-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H]1CCOC1 ZINC000162760415 202057843 /nfs/dbraw/zinc/05/78/43/202057843.db2.gz RBZLZAAZDBDVEM-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422972623 192531910 /nfs/dbraw/zinc/53/19/10/192531910.db2.gz AATUPBSKVCDZBU-VWYCJHECSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@@H](N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423005223 192535590 /nfs/dbraw/zinc/53/55/90/192535590.db2.gz LXYUMJQNINQUKO-SYQHCUMBSA-N 1 3 240.391 1.658 20 0 BDADHO [NH3+]CCCN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000168082234 134156171 /nfs/dbraw/zinc/15/61/71/134156171.db2.gz RFIZSCATLFRTQC-GFCCVEGCSA-N 1 3 224.735 1.746 20 0 BDADHO NCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000168082234 134156172 /nfs/dbraw/zinc/15/61/72/134156172.db2.gz RFIZSCATLFRTQC-GFCCVEGCSA-N 1 3 224.735 1.746 20 0 BDADHO C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)C1CNC1 ZINC000423132417 192580522 /nfs/dbraw/zinc/58/05/22/192580522.db2.gz JGCMRKKTONZDIZ-BXUZGUMPSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@@H](NC[C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132417 192580524 /nfs/dbraw/zinc/58/05/24/192580524.db2.gz JGCMRKKTONZDIZ-BXUZGUMPSA-N 1 3 240.391 1.373 20 0 BDADHO CCC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000450468772 202174906 /nfs/dbraw/zinc/17/49/06/202174906.db2.gz PFARACSTLQSAIV-MCIONIFRSA-N 1 3 242.407 1.952 20 0 BDADHO CCC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000450468772 202174910 /nfs/dbraw/zinc/17/49/10/202174910.db2.gz PFARACSTLQSAIV-MCIONIFRSA-N 1 3 242.407 1.952 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176494 192610295 /nfs/dbraw/zinc/61/02/95/192610295.db2.gz GCQWOMJNJXVTCQ-MBJXGIAVSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCNCC1 ZINC000423179172 192612234 /nfs/dbraw/zinc/61/22/34/192612234.db2.gz HHKIXEUTIWHDIZ-RTXFEEFZSA-N 1 3 208.349 1.907 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000423192866 192618112 /nfs/dbraw/zinc/61/81/12/192618112.db2.gz VFCZMKIGCWGFBS-YIOUJQMASA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](Cc1ccoc1)NC[C@H]1CCC[NH2+]C1 ZINC000423221448 192633013 /nfs/dbraw/zinc/63/30/13/192633013.db2.gz ZWAYDMRHTGEFOY-YPMHNXCESA-N 1 3 222.332 1.800 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623395328 357017794 /nfs/dbraw/zinc/01/77/94/357017794.db2.gz HIXLYINVLLIUHI-CYBMUJFWSA-N 1 3 241.423 1.789 20 0 BDADHO C[C@H]([NH2+]CCc1cnccn1)[C@H]1CCCCN1 ZINC000389982116 357076654 /nfs/dbraw/zinc/07/66/54/357076654.db2.gz YBXAYRXVCCXDSL-WCQYABFASA-N 1 3 234.347 1.139 20 0 BDADHO C[C@H](CC[NH2+]CC1(O)CCC1)N1CCCCC1 ZINC000582416470 357138873 /nfs/dbraw/zinc/13/88/73/357138873.db2.gz WILGXPGSAXBNSL-CYBMUJFWSA-N 1 3 240.391 1.756 20 0 BDADHO C[C@H](CCNCC1(O)CCC1)[NH+]1CCCCC1 ZINC000582416470 357138877 /nfs/dbraw/zinc/13/88/77/357138877.db2.gz WILGXPGSAXBNSL-CYBMUJFWSA-N 1 3 240.391 1.756 20 0 BDADHO CCSCCN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000130047592 357164053 /nfs/dbraw/zinc/16/40/53/357164053.db2.gz SLELGMBKDDXUQA-QWRGUYRKSA-N 1 3 216.394 1.799 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396812247 357484658 /nfs/dbraw/zinc/48/46/58/357484658.db2.gz QEZWHRAARKFLLS-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396812247 357484663 /nfs/dbraw/zinc/48/46/63/357484663.db2.gz QEZWHRAARKFLLS-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396812247 357484669 /nfs/dbraw/zinc/48/46/69/357484669.db2.gz QEZWHRAARKFLLS-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC000230479224 357525939 /nfs/dbraw/zinc/52/59/39/357525939.db2.gz VASLZAAJWNIYEP-DGCLKSJQSA-N 1 3 228.380 1.373 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+]C[C@@H]1CCCNC1 ZINC000230479224 357525943 /nfs/dbraw/zinc/52/59/43/357525943.db2.gz VASLZAAJWNIYEP-DGCLKSJQSA-N 1 3 228.380 1.373 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000233783842 357748067 /nfs/dbraw/zinc/74/80/67/357748067.db2.gz ZORKIDBEMZOPOP-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)C1(C)C ZINC000233783842 357748069 /nfs/dbraw/zinc/74/80/69/357748069.db2.gz ZORKIDBEMZOPOP-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416038 357828611 /nfs/dbraw/zinc/82/86/11/357828611.db2.gz GTKLDSLCUREWKI-NEPJUHHUSA-N 1 3 228.380 1.610 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416038 357828613 /nfs/dbraw/zinc/82/86/13/357828613.db2.gz GTKLDSLCUREWKI-NEPJUHHUSA-N 1 3 228.380 1.610 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000398272077 357882068 /nfs/dbraw/zinc/88/20/68/357882068.db2.gz VJRVCRWPRTYCBB-BDAKNGLRSA-N 1 3 222.279 1.475 20 0 BDADHO CC[C@@]1(O)CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000640036880 358136561 /nfs/dbraw/zinc/13/65/61/358136561.db2.gz YOOIRUZQSVECBD-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@]1(O)CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000640036880 358136563 /nfs/dbraw/zinc/13/65/63/358136563.db2.gz YOOIRUZQSVECBD-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO CC(C)C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000222911611 358216360 /nfs/dbraw/zinc/21/63/60/358216360.db2.gz DDQXVMQNKOILGM-HZSPNIEDSA-N 1 3 241.423 1.822 20 0 BDADHO [NH3+]C[C@H]1CCCN1[C@H]1CCCSC1 ZINC000252689642 366410707 /nfs/dbraw/zinc/41/07/07/366410707.db2.gz RTPXFDFDEAEDNS-ZJUUUORDSA-N 1 3 200.351 1.305 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000227416776 358356744 /nfs/dbraw/zinc/35/67/44/358356744.db2.gz FYMGSDXKUSUHPS-JHJVBQTASA-N 1 3 228.380 1.645 20 0 BDADHO CC(C)OC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000173744653 134275054 /nfs/dbraw/zinc/27/50/54/134275054.db2.gz FJIIBSPJPYOSFP-LBPRGKRZSA-N 1 3 242.363 1.212 20 0 BDADHO CC(C)OC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000173744653 134275055 /nfs/dbraw/zinc/27/50/55/134275055.db2.gz FJIIBSPJPYOSFP-LBPRGKRZSA-N 1 3 242.363 1.212 20 0 BDADHO COCCCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000044659218 358392626 /nfs/dbraw/zinc/39/26/26/358392626.db2.gz MZWWXDVKJHYOQT-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO Cc1ccc([C@@H](C)NCCOCC[NH+](C)C)o1 ZINC000219309771 134281201 /nfs/dbraw/zinc/28/12/01/134281201.db2.gz JQBBGRZUQJJVBO-GFCCVEGCSA-N 1 3 240.347 1.817 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130214300 358615200 /nfs/dbraw/zinc/61/52/00/358615200.db2.gz IWGHKVDEDLWTBD-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130214300 358615201 /nfs/dbraw/zinc/61/52/01/358615201.db2.gz IWGHKVDEDLWTBD-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@H]1CCSC1 ZINC000300231327 358589752 /nfs/dbraw/zinc/58/97/52/358589752.db2.gz GQOMWEAJSGZPQZ-MXWKQRLJSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@H]1CCSC1 ZINC000300231327 358589754 /nfs/dbraw/zinc/58/97/54/358589754.db2.gz GQOMWEAJSGZPQZ-MXWKQRLJSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCSC1 ZINC000300231327 358589756 /nfs/dbraw/zinc/58/97/56/358589756.db2.gz GQOMWEAJSGZPQZ-MXWKQRLJSA-N 1 3 214.378 1.551 20 0 BDADHO OC[C@@H](Cc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000132259230 358714182 /nfs/dbraw/zinc/71/41/82/358714182.db2.gz MSQQIOHRKMWSQL-LSDHHAIUSA-N 1 3 248.370 1.179 20 0 BDADHO C[C@H](CCO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000132480392 358724078 /nfs/dbraw/zinc/72/40/78/358724078.db2.gz SMIMYGBSKZNCEU-AGIUHOORSA-N 1 3 228.380 1.658 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CCO[C@H]2C)CC1 ZINC000134079271 358778943 /nfs/dbraw/zinc/77/89/43/358778943.db2.gz GYDLQLBTWVOPBE-AAEUAGOBSA-N 1 3 226.364 1.626 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccco2)C1 ZINC000086402770 358966862 /nfs/dbraw/zinc/96/68/62/358966862.db2.gz PFZNHINKZSJQFR-GHMZBOCLSA-N 1 3 208.305 1.682 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086402475 358967135 /nfs/dbraw/zinc/96/71/35/358967135.db2.gz NIWHVBPBRHKTPM-NEPJUHHUSA-N 1 3 214.353 1.661 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000086403375 358967536 /nfs/dbraw/zinc/96/75/36/358967536.db2.gz FXCDOONSAHOQKH-TUAOUCFPSA-N 1 3 212.337 1.273 20 0 BDADHO CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786276 359164500 /nfs/dbraw/zinc/16/45/00/359164500.db2.gz MBTYGOTXDJKUMA-AAEUAGOBSA-N 1 3 208.349 1.955 20 0 BDADHO CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786276 359164504 /nfs/dbraw/zinc/16/45/04/359164504.db2.gz MBTYGOTXDJKUMA-AAEUAGOBSA-N 1 3 208.349 1.955 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246858804 359171410 /nfs/dbraw/zinc/17/14/10/359171410.db2.gz CWSZBOKVOFBBDZ-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO COCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835808 359225156 /nfs/dbraw/zinc/22/51/56/359225156.db2.gz FRRUONDCSJGRAI-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO COCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835808 359225162 /nfs/dbraw/zinc/22/51/62/359225162.db2.gz FRRUONDCSJGRAI-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO COCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000075835808 359225165 /nfs/dbraw/zinc/22/51/65/359225165.db2.gz FRRUONDCSJGRAI-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835806 359225377 /nfs/dbraw/zinc/22/53/77/359225377.db2.gz FRRUONDCSJGRAI-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO COCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835806 359225379 /nfs/dbraw/zinc/22/53/79/359225379.db2.gz FRRUONDCSJGRAI-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO COCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075835806 359225383 /nfs/dbraw/zinc/22/53/83/359225383.db2.gz FRRUONDCSJGRAI-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO CCc1noc(C)c1CN1CCC(C[NH3+])CC1 ZINC000430600715 192880654 /nfs/dbraw/zinc/88/06/54/192880654.db2.gz HYVWIZNIQVVTRQ-UHFFFAOYSA-N 1 3 237.347 1.716 20 0 BDADHO CC[C@@H](CO)[N@H+](C)CCCN(CC)CC ZINC000451161796 202366924 /nfs/dbraw/zinc/36/69/24/202366924.db2.gz ZYXOYGCRAKQAOH-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO CC[C@@H](CO)[N@@H+](C)CCCN(CC)CC ZINC000451161796 202366927 /nfs/dbraw/zinc/36/69/27/202366927.db2.gz ZYXOYGCRAKQAOH-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000089144641 359992931 /nfs/dbraw/zinc/99/29/31/359992931.db2.gz IKKDIRBXLOCUNF-KBPBESRZSA-N 1 3 233.359 1.731 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000089140584 359992983 /nfs/dbraw/zinc/99/29/83/359992983.db2.gz UWTHAWMYKCWFCI-UONOGXRCSA-N 1 3 240.391 1.910 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000089140802 359993114 /nfs/dbraw/zinc/99/31/14/359993114.db2.gz UFVNGOHDBHLISQ-QWHCGFSZSA-N 1 3 236.363 1.380 20 0 BDADHO CC[C@H](N)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000089069462 359985608 /nfs/dbraw/zinc/98/56/08/359985608.db2.gz WIPHJFHVYZLBHR-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](N)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000089069462 359985609 /nfs/dbraw/zinc/98/56/09/359985609.db2.gz WIPHJFHVYZLBHR-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631198924 360760865 /nfs/dbraw/zinc/76/08/65/360760865.db2.gz MWFJXJAOOCQSCP-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000631198924 360760869 /nfs/dbraw/zinc/76/08/69/360760869.db2.gz MWFJXJAOOCQSCP-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000631198924 360760874 /nfs/dbraw/zinc/76/08/74/360760874.db2.gz MWFJXJAOOCQSCP-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO Cc1ccc(C[NH2+]CC2(N)CCOCC2)cc1 ZINC000629387015 361038688 /nfs/dbraw/zinc/03/86/88/361038688.db2.gz CIARPKLVWINGFN-UHFFFAOYSA-N 1 3 234.343 1.593 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000629387530 361038908 /nfs/dbraw/zinc/03/89/08/361038908.db2.gz FADUVFGJIRCESI-UZGDPCLZSA-N 1 3 237.391 1.342 20 0 BDADHO [NH3+]CCCOCCNCc1coc2ccccc12 ZINC000629399902 361051063 /nfs/dbraw/zinc/05/10/63/361051063.db2.gz LMNBZBNQRSKGHB-UHFFFAOYSA-N 1 3 248.326 1.888 20 0 BDADHO [NH3+]CCCOCCNCc1cccc2c1CCC2 ZINC000629400518 361052029 /nfs/dbraw/zinc/05/20/29/361052029.db2.gz CPAPHBYYJBVVML-UHFFFAOYSA-N 1 3 248.370 1.630 20 0 BDADHO C1CC1[C@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 ZINC000629409586 361058627 /nfs/dbraw/zinc/05/86/27/361058627.db2.gz KYOBMOLBSDIICD-YNEHKIRRSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CN1C1CC1 ZINC000629411965 361060713 /nfs/dbraw/zinc/06/07/13/361060713.db2.gz JEIWQKPBBJEQSF-NDBYEHHHSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2cccnc2N)CC1 ZINC000629510208 361107196 /nfs/dbraw/zinc/10/71/96/361107196.db2.gz AXSRWRXDCYOVJY-JTQLQIEISA-N 1 3 234.347 1.223 20 0 BDADHO CCC[C@@H](CN[C@H](C)C1C[NH2+]C1)OCC ZINC000629515373 361112140 /nfs/dbraw/zinc/11/21/40/361112140.db2.gz QMQARVYDDHMVED-PWSUYJOCSA-N 1 3 214.353 1.389 20 0 BDADHO CCC[C@@H](C[NH2+][C@H](C)C1CNC1)OCC ZINC000629515373 361112143 /nfs/dbraw/zinc/11/21/43/361112143.db2.gz QMQARVYDDHMVED-PWSUYJOCSA-N 1 3 214.353 1.389 20 0 BDADHO CCO[C@H](CN[C@@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514466 361112600 /nfs/dbraw/zinc/11/26/00/361112600.db2.gz MCQCTAIOUNLFHH-OLZOCXBDSA-N 1 3 226.364 1.519 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000629517336 361114187 /nfs/dbraw/zinc/11/41/87/361114187.db2.gz LVIWMYIIYNHARK-JHJVBQTASA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCNC12CCC2 ZINC000629517782 361114289 /nfs/dbraw/zinc/11/42/89/361114289.db2.gz YURMOBUHBFSWMD-NEPJUHHUSA-N 1 3 226.364 1.412 20 0 BDADHO CCO[C@H](C[N@@H+]1C[C@@H](CN)C[C@@H]1C)C1CC1 ZINC000629516726 361115594 /nfs/dbraw/zinc/11/55/94/361115594.db2.gz OHXPUOZJFRUZRW-DMDPSCGWSA-N 1 3 226.364 1.471 20 0 BDADHO CCO[C@H](C[N@H+]1C[C@@H](CN)C[C@@H]1C)C1CC1 ZINC000629516726 361115598 /nfs/dbraw/zinc/11/55/98/361115598.db2.gz OHXPUOZJFRUZRW-DMDPSCGWSA-N 1 3 226.364 1.471 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1cccnc1C ZINC000629531899 361150133 /nfs/dbraw/zinc/15/01/33/361150133.db2.gz CPKVSCKIPCOSIQ-ZDUSSCGKSA-N 1 3 237.347 1.234 20 0 BDADHO CC(C)CC[C@H](CO)N[C@@H](C)C[C@H](C)[NH3+] ZINC000629524556 361124515 /nfs/dbraw/zinc/12/45/15/361124515.db2.gz SBRALMUVAWLBBX-SDDRHHMPSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCOCC1)c1cccs1 ZINC000629525175 361125520 /nfs/dbraw/zinc/12/55/20/361125520.db2.gz YLIYZLBBWGSLCW-SNVBAGLBSA-N 1 3 240.372 1.907 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000629526278 361127463 /nfs/dbraw/zinc/12/74/63/361127463.db2.gz OSSHGTLNHZPZON-NWDGAFQWSA-N 1 3 208.349 1.905 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CCCCOC)C1 ZINC000158503727 361200119 /nfs/dbraw/zinc/20/01/19/361200119.db2.gz JXUMOQFWXQUDGE-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)c2ccccc2)C1 ZINC000579140602 366723613 /nfs/dbraw/zinc/72/36/13/366723613.db2.gz JSQBLNDEHCLQQS-ZNMIVQPWSA-N 1 3 248.370 1.622 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC000579140602 366723617 /nfs/dbraw/zinc/72/36/17/366723617.db2.gz JSQBLNDEHCLQQS-ZNMIVQPWSA-N 1 3 248.370 1.622 20 0 BDADHO FC1(F)C[C@@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000622043523 370674250 /nfs/dbraw/zinc/67/42/50/370674250.db2.gz CSUOFRQMWCUFPK-GKDVJIACSA-N 1 3 230.302 1.904 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000429528677 201112093 /nfs/dbraw/zinc/11/20/93/201112093.db2.gz NFCIRHWZMNOEOZ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000429528677 201112096 /nfs/dbraw/zinc/11/20/96/201112096.db2.gz NFCIRHWZMNOEOZ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000429528677 201112099 /nfs/dbraw/zinc/11/20/99/201112099.db2.gz NFCIRHWZMNOEOZ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO C/C=C\CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629537072 361399531 /nfs/dbraw/zinc/39/95/31/361399531.db2.gz JOWDTNRQAFLIMI-QXNLEOBOSA-N 1 3 224.348 1.309 20 0 BDADHO [NH3+]CCCOCCN[C@H]1CCCc2cccnc21 ZINC000629537947 361402283 /nfs/dbraw/zinc/40/22/83/361402283.db2.gz LVPQKRZSUOYJRL-ZDUSSCGKSA-N 1 3 249.358 1.414 20 0 BDADHO COC1(CN(C)CCC[NH+](C)C)CCCC1 ZINC000579408093 366776966 /nfs/dbraw/zinc/77/69/66/366776966.db2.gz VIGASEAODBJGKK-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO COCC1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629535618 361410347 /nfs/dbraw/zinc/41/03/47/361410347.db2.gz CPZPNEXHMWENMU-ABXWRUBCSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccccc1CO ZINC000579461589 366812750 /nfs/dbraw/zinc/81/27/50/366812750.db2.gz JZVYAGKVRPMLGK-DOMZBBRYSA-N 1 3 248.370 1.786 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccccc1CO ZINC000579461592 366813101 /nfs/dbraw/zinc/81/31/01/366813101.db2.gz JZVYAGKVRPMLGK-SWLSCSKDSA-N 1 3 248.370 1.786 20 0 BDADHO COCCC[C@H](C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000629534866 361408871 /nfs/dbraw/zinc/40/88/71/361408871.db2.gz BDQZPHTUYOJENX-SRVKXCTJSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000629547835 361431654 /nfs/dbraw/zinc/43/16/54/361431654.db2.gz VCDHKECESMWSKS-FTYKPCCVSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000629548137 361431878 /nfs/dbraw/zinc/43/18/78/361431878.db2.gz WZVZBRMYZLHUQT-CLPYTZEMSA-N 1 3 208.349 1.905 20 0 BDADHO CN(CCN[C@H]1CCCC[C@H]1C[NH3+])CC(F)F ZINC000629556775 361445340 /nfs/dbraw/zinc/44/53/40/361445340.db2.gz YLXRRIYRHZALLA-QWRGUYRKSA-N 1 3 249.349 1.290 20 0 BDADHO CN(CC[NH2+][C@H]1CCCC[C@H]1CN)CC(F)F ZINC000629556775 361445343 /nfs/dbraw/zinc/44/53/43/361445343.db2.gz YLXRRIYRHZALLA-QWRGUYRKSA-N 1 3 249.349 1.290 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1cccnc1 ZINC000629541874 361417491 /nfs/dbraw/zinc/41/74/91/361417491.db2.gz SOQGEJCDVWSZNK-NSHDSACASA-N 1 3 223.320 1.098 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1ccncc1 ZINC000629541966 361418530 /nfs/dbraw/zinc/41/85/30/361418530.db2.gz VIILJVRNMMNPIO-LLVKDONJSA-N 1 3 223.320 1.098 20 0 BDADHO FCC[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629580711 361469407 /nfs/dbraw/zinc/46/94/07/361469407.db2.gz FADQBMAXEHAUNY-STQMWFEESA-N 1 3 244.354 1.437 20 0 BDADHO FCC[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629580704 361469764 /nfs/dbraw/zinc/46/97/64/361469764.db2.gz FACFRZGVFOCJMN-NEPJUHHUSA-N 1 3 230.327 1.046 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccccc1C1CC1 ZINC000629581135 361470683 /nfs/dbraw/zinc/47/06/83/361470683.db2.gz OFFVGAZDMDLERW-UHFFFAOYSA-N 1 3 248.370 1.971 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CC2=CCCOC2)C1 ZINC000629651819 361557576 /nfs/dbraw/zinc/55/75/76/361557576.db2.gz KSTXVHOUUANYMK-AAEUAGOBSA-N 1 3 224.348 1.392 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CC2=CCCOC2)C1 ZINC000629647019 361535582 /nfs/dbraw/zinc/53/55/82/361535582.db2.gz JHNJPXGLFFIOIC-PWSUYJOCSA-N 1 3 210.321 1.002 20 0 BDADHO COCc1ccc(CN[C@@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000629649187 361542971 /nfs/dbraw/zinc/54/29/71/361542971.db2.gz LELHQCYIAUEIPD-GHMZBOCLSA-N 1 3 238.331 1.643 20 0 BDADHO Cn1ccc(C[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000629649581 361544531 /nfs/dbraw/zinc/54/45/31/361544531.db2.gz WHUOOQIAKLPLDD-GFCCVEGCSA-N 1 3 221.348 1.503 20 0 BDADHO COCc1ccc(CNCCC2(C[NH3+])CC2)o1 ZINC000629650679 361548058 /nfs/dbraw/zinc/54/80/58/361548058.db2.gz YZZZMSCMELSLMY-UHFFFAOYSA-N 1 3 238.331 1.645 20 0 BDADHO Cn1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000629652470 361551514 /nfs/dbraw/zinc/55/15/14/361551514.db2.gz BUVIFTIYQYGBGE-OKILXGFUSA-N 1 3 233.359 1.457 20 0 BDADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651423 361556232 /nfs/dbraw/zinc/55/62/32/361556232.db2.gz FXCAHQFNJNHWNY-DGCLKSJQSA-N 1 3 224.348 1.535 20 0 BDADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651423 361556234 /nfs/dbraw/zinc/55/62/34/361556234.db2.gz FXCAHQFNJNHWNY-DGCLKSJQSA-N 1 3 224.348 1.535 20 0 BDADHO CN(CCOCC[NH3+])Cc1cccc2c1NCC2 ZINC000629667213 361588857 /nfs/dbraw/zinc/58/88/57/361588857.db2.gz VUULAYQPKPBBCM-UHFFFAOYSA-N 1 3 249.358 1.062 20 0 BDADHO c1cc([C@@H]2CNCCO2)ccc1C1=CC[NH2+]CC1 ZINC000629722899 361663591 /nfs/dbraw/zinc/66/35/91/361663591.db2.gz GVHIOSZGZUFOTB-HNNXBMFYSA-N 1 3 244.338 1.724 20 0 BDADHO C[NH2+]CCCN1CCC[C@]2(CCCOC2)C1 ZINC000435877769 201292821 /nfs/dbraw/zinc/29/28/21/201292821.db2.gz UXDHUSAJOQDFDB-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO CNCCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000435877769 201292825 /nfs/dbraw/zinc/29/28/25/201292825.db2.gz UXDHUSAJOQDFDB-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO CNCCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000435877769 201292826 /nfs/dbraw/zinc/29/28/26/201292826.db2.gz UXDHUSAJOQDFDB-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000438179529 201396210 /nfs/dbraw/zinc/39/62/10/201396210.db2.gz OOPHXZQVVJUYHX-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000133960409 364381286 /nfs/dbraw/zinc/38/12/86/364381286.db2.gz WOHQUHBXFDHEBR-VXGBXAGGSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@H]1OCC[C@H]1NCCC[NH+]1CCCC1 ZINC000133960409 364381291 /nfs/dbraw/zinc/38/12/91/364381291.db2.gz WOHQUHBXFDHEBR-VXGBXAGGSA-N 1 3 212.337 1.239 20 0 BDADHO CC[NH+]1CCC(NCCOCC2CCC2)CC1 ZINC000579540818 366850811 /nfs/dbraw/zinc/85/08/11/366850811.db2.gz MPJOZRPKDYTHPT-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000328533582 364868232 /nfs/dbraw/zinc/86/82/32/364868232.db2.gz ZCNUTKSFCHQFGP-NDBYEHHHSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000328533582 364868238 /nfs/dbraw/zinc/86/82/38/364868238.db2.gz ZCNUTKSFCHQFGP-NDBYEHHHSA-N 1 3 226.364 1.207 20 0 BDADHO N[C@@H](CC1CCCCC1)C(=O)NCCCC[NH3+] ZINC000302455509 181376301 /nfs/dbraw/zinc/37/63/01/181376301.db2.gz WELIPHIZTRPXNY-LBPRGKRZSA-N 1 3 241.379 1.139 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590264 364965085 /nfs/dbraw/zinc/96/50/85/364965085.db2.gz ZCCDMXXTSCRRKS-VXGBXAGGSA-N 1 3 226.364 1.399 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC2(CO)CCCC2)C1 ZINC000168590264 364965090 /nfs/dbraw/zinc/96/50/90/364965090.db2.gz ZCCDMXXTSCRRKS-VXGBXAGGSA-N 1 3 226.364 1.399 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000574519506 365080346 /nfs/dbraw/zinc/08/03/46/365080346.db2.gz OOQPSNWOSGZKHU-CYZMBNFOSA-N 1 3 220.316 1.453 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000443066964 193012279 /nfs/dbraw/zinc/01/22/79/193012279.db2.gz KMEAYPIKFMLVJT-OLZOCXBDSA-N 1 3 239.407 1.258 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000575071800 365189416 /nfs/dbraw/zinc/18/94/16/365189416.db2.gz HQHTYQKNDDHBSS-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000575071800 365189419 /nfs/dbraw/zinc/18/94/19/365189419.db2.gz HQHTYQKNDDHBSS-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO COC[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444589213 193051511 /nfs/dbraw/zinc/05/15/11/193051511.db2.gz AOZJLQLVALZDNP-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000379788312 365272084 /nfs/dbraw/zinc/27/20/84/365272084.db2.gz INMXTXIKBVXPLP-IJLUTSLNSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@@H](NCCc1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000575373026 365302553 /nfs/dbraw/zinc/30/25/53/365302553.db2.gz XIMIKJTWDLLERO-SNVBAGLBSA-N 1 3 248.326 1.155 20 0 BDADHO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CNC1 ZINC000575373026 365302560 /nfs/dbraw/zinc/30/25/60/365302560.db2.gz XIMIKJTWDLLERO-SNVBAGLBSA-N 1 3 248.326 1.155 20 0 BDADHO CC(C)[NH+](CCCNC(=O)C(C)(C)N)C(C)C ZINC000575865572 365391721 /nfs/dbraw/zinc/39/17/21/365391721.db2.gz IZFPYYZOHWVCIF-UHFFFAOYSA-N 1 3 243.395 1.349 20 0 BDADHO C[C@H]1C[C@H](NCCOCC2CCC2)CC[N@@H+]1C ZINC000576203765 365520859 /nfs/dbraw/zinc/52/08/59/365520859.db2.gz QKTZEQDOXVQSFT-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[C@H](NCCOCC2CCC2)CC[N@H+]1C ZINC000576203765 365520866 /nfs/dbraw/zinc/52/08/66/365520866.db2.gz QKTZEQDOXVQSFT-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000380321522 367178513 /nfs/dbraw/zinc/17/85/13/367178513.db2.gz KPTWKOUKPQMKMT-UPJWGTAASA-N 1 3 210.365 1.962 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000380534393 367230164 /nfs/dbraw/zinc/23/01/64/367230164.db2.gz MXDOHBTWURBMOE-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO c1ccc2c(c1)CC([NH2+]CCCNC1CC1)C2 ZINC000382531758 367533636 /nfs/dbraw/zinc/53/36/36/367533636.db2.gz IQWCNWCPVMAJEU-UHFFFAOYSA-N 1 3 230.355 1.886 20 0 BDADHO c1ccc2c(c1)CC(NCCC[NH2+]C1CC1)C2 ZINC000382531758 367533640 /nfs/dbraw/zinc/53/36/40/367533640.db2.gz IQWCNWCPVMAJEU-UHFFFAOYSA-N 1 3 230.355 1.886 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114518 367597799 /nfs/dbraw/zinc/59/77/99/367597799.db2.gz ATFRMYOXTQQSGA-ZJUUUORDSA-N 1 3 218.291 1.891 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(O)c1 ZINC000383635164 367646891 /nfs/dbraw/zinc/64/68/91/367646891.db2.gz AIQHEYSUTMGFEA-JSGCOSHPSA-N 1 3 234.343 1.999 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000384040308 367669139 /nfs/dbraw/zinc/66/91/39/367669139.db2.gz FVHFYZXOKPLYSP-TUAOUCFPSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000384776880 367729792 /nfs/dbraw/zinc/72/97/92/367729792.db2.gz VRGJBJFVBKPAMN-WOPDTQHZSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@H]1CN ZINC000384847702 367743272 /nfs/dbraw/zinc/74/32/72/367743272.db2.gz KHENTKWUDUGODV-VWYCJHECSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](CN[C@@H]1C[C@H](C)O[C@H]1C)C[NH+](C)C ZINC000384864986 367745573 /nfs/dbraw/zinc/74/55/73/367745573.db2.gz FCJXJHJRQQVEBL-NOOOWODRSA-N 1 3 214.353 1.340 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000566088220 325992330 /nfs/dbraw/zinc/99/23/30/325992330.db2.gz LUPCMLRFXMDDNQ-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962695 367766146 /nfs/dbraw/zinc/76/61/46/367766146.db2.gz SIFVIQTYQHNOGB-SYQHCUMBSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962695 367766151 /nfs/dbraw/zinc/76/61/51/367766151.db2.gz SIFVIQTYQHNOGB-SYQHCUMBSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962695 367766155 /nfs/dbraw/zinc/76/61/55/367766155.db2.gz SIFVIQTYQHNOGB-SYQHCUMBSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000385141540 367800767 /nfs/dbraw/zinc/80/07/67/367800767.db2.gz MCMYBBJUXQJKEO-CCJXIVEXSA-N 1 3 238.375 1.767 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)O1 ZINC000385141540 367800774 /nfs/dbraw/zinc/80/07/74/367800774.db2.gz MCMYBBJUXQJKEO-CCJXIVEXSA-N 1 3 238.375 1.767 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCSCC[C@H]1C ZINC000385409385 367826202 /nfs/dbraw/zinc/82/62/02/367826202.db2.gz SWXFYMYJPRANSO-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCSCC[C@H]1C ZINC000385409385 367826205 /nfs/dbraw/zinc/82/62/05/367826205.db2.gz SWXFYMYJPRANSO-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCCCN1 ZINC000386066354 367908674 /nfs/dbraw/zinc/90/86/74/367908674.db2.gz YMOWEYIYSVJPSJ-YPMHNXCESA-N 1 3 236.363 1.083 20 0 BDADHO C[C@@H]1CC[C@@H](NCC[C@@H]2CCOC2)C[NH2+]1 ZINC000399238934 367910659 /nfs/dbraw/zinc/91/06/59/367910659.db2.gz STVXVGRIHLCGJO-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH2+]CCc1ccco1)[C@H]1CCCCN1 ZINC000386011379 367897610 /nfs/dbraw/zinc/89/76/10/367897610.db2.gz MRFPMACDHJDBBM-WCQYABFASA-N 1 3 222.332 1.942 20 0 BDADHO C[C@@H](NCCCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386580821 367996728 /nfs/dbraw/zinc/99/67/28/367996728.db2.gz OSOPVGPUDPUDOY-NEPJUHHUSA-N 1 3 214.353 1.269 20 0 BDADHO C[C@H](NC[C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000386598728 368000157 /nfs/dbraw/zinc/00/01/57/368000157.db2.gz UCTBKQQUKXKCMU-TUAOUCFPSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H](NCCN1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386464873 367978629 /nfs/dbraw/zinc/97/86/29/367978629.db2.gz PTCIWSKHQGTLSP-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H](NC[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000386504055 367981504 /nfs/dbraw/zinc/98/15/04/367981504.db2.gz WDKOPOCBQHBDJH-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]([NH2+]CCCNC1CC1)[C@@H]1CCCOC1 ZINC000386936726 368037142 /nfs/dbraw/zinc/03/71/42/368037142.db2.gz PYXCDODTEZEBTM-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](C[NH3+])CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000441615188 201559024 /nfs/dbraw/zinc/55/90/24/201559024.db2.gz SOBXYLNRSMSYIS-MDZLAQPJSA-N 1 3 249.358 1.034 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCC(CC[NH3+])CC1 ZINC000076683441 368242719 /nfs/dbraw/zinc/24/27/19/368242719.db2.gz OINZEWWQNDNARX-UHFFFAOYSA-N 1 3 236.363 1.587 20 0 BDADHO CC(C)COCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086402406 368880121 /nfs/dbraw/zinc/88/01/21/368880121.db2.gz WLONOFSUKCPRSY-STQMWFEESA-N 1 3 228.380 1.909 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402435 368880248 /nfs/dbraw/zinc/88/02/48/368880248.db2.gz SYKHXYBZILOQOR-CHWSQXEVSA-N 1 3 226.364 1.663 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000086404234 368881449 /nfs/dbraw/zinc/88/14/49/368881449.db2.gz JYLUWAJBZNVSSS-NEPJUHHUSA-N 1 3 212.337 1.273 20 0 BDADHO CO[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623808717 368954079 /nfs/dbraw/zinc/95/40/79/368954079.db2.gz ALDXNUPTUNRCHO-CYDGBPFRSA-N 1 3 224.348 1.380 20 0 BDADHO CO[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623808717 368954081 /nfs/dbraw/zinc/95/40/81/368954081.db2.gz ALDXNUPTUNRCHO-CYDGBPFRSA-N 1 3 224.348 1.380 20 0 BDADHO Nc1cccc(C[N@H+]2CCCCC[C@@H](N)C2)c1 ZINC000631835764 369048145 /nfs/dbraw/zinc/04/81/45/369048145.db2.gz XDYRQBCDVMBTTL-CQSZACIVSA-N 1 3 233.359 1.972 20 0 BDADHO Nc1cccc(C[N@@H+]2CCCCC[C@@H](N)C2)c1 ZINC000631835764 369048152 /nfs/dbraw/zinc/04/81/52/369048152.db2.gz XDYRQBCDVMBTTL-CQSZACIVSA-N 1 3 233.359 1.972 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000623655774 368990972 /nfs/dbraw/zinc/99/09/72/368990972.db2.gz FCVCHOGWKOABFT-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCOC2)C1 ZINC000623655774 368990977 /nfs/dbraw/zinc/99/09/77/368990977.db2.gz FCVCHOGWKOABFT-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCOC2)C1 ZINC000623655774 368990979 /nfs/dbraw/zinc/99/09/79/368990979.db2.gz FCVCHOGWKOABFT-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CN1CCCC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000623655863 368991026 /nfs/dbraw/zinc/99/10/26/368991026.db2.gz HTHXUFDHGVGVBO-CYBMUJFWSA-N 1 3 221.348 1.836 20 0 BDADHO Cc1ncc(CNCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459735039 203347638 /nfs/dbraw/zinc/34/76/38/203347638.db2.gz PJOZRMXAQZCXPP-CYBMUJFWSA-N 1 3 248.374 1.607 20 0 BDADHO Cc1ncc(CNCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459735039 203347640 /nfs/dbraw/zinc/34/76/40/203347640.db2.gz PJOZRMXAQZCXPP-CYBMUJFWSA-N 1 3 248.374 1.607 20 0 BDADHO CSCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250959324 369622958 /nfs/dbraw/zinc/62/29/58/369622958.db2.gz UDCNLRBJXQEVKE-QWRGUYRKSA-N 1 3 214.378 1.566 20 0 BDADHO CSCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250959324 369622965 /nfs/dbraw/zinc/62/29/65/369622965.db2.gz UDCNLRBJXQEVKE-QWRGUYRKSA-N 1 3 214.378 1.566 20 0 BDADHO CC1(F)CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000631867419 370229539 /nfs/dbraw/zinc/22/95/39/370229539.db2.gz UFMVPOQWBNDOFF-LLVKDONJSA-N 1 3 242.338 1.331 20 0 BDADHO CCn1cc(CCN2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775223 370521074 /nfs/dbraw/zinc/52/10/74/370521074.db2.gz IVMVTYVVQCDKJE-YPMHNXCESA-N 1 3 236.363 1.115 20 0 BDADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621774948 370521731 /nfs/dbraw/zinc/52/17/31/370521731.db2.gz BAISFNJJKZPYQI-ZNMIVQPWSA-N 1 3 245.370 1.949 20 0 BDADHO CC1(C)COC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000313012538 370562101 /nfs/dbraw/zinc/56/21/01/370562101.db2.gz BDAIFBALGGYUHV-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO CN1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC1(C)C ZINC000623777512 371089106 /nfs/dbraw/zinc/08/91/06/371089106.db2.gz IHLFSERNPKCFMJ-GFCCVEGCSA-N 1 3 249.358 1.750 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120860 371321472 /nfs/dbraw/zinc/32/14/72/371321472.db2.gz IPKOKXPOZCRXMI-XQQFMLRXSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120860 371321475 /nfs/dbraw/zinc/32/14/75/371321475.db2.gz IPKOKXPOZCRXMI-XQQFMLRXSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000624121569 371322599 /nfs/dbraw/zinc/32/25/99/371322599.db2.gz YCDAOMTVHCDZAJ-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121569 371322604 /nfs/dbraw/zinc/32/26/04/371322604.db2.gz YCDAOMTVHCDZAJ-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121569 371322608 /nfs/dbraw/zinc/32/26/08/371322608.db2.gz YCDAOMTVHCDZAJ-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000624122411 371323096 /nfs/dbraw/zinc/32/30/96/371323096.db2.gz QQXBFASUGHHXRZ-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000624122411 371323101 /nfs/dbraw/zinc/32/31/01/371323101.db2.gz QQXBFASUGHHXRZ-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000624124142 371325174 /nfs/dbraw/zinc/32/51/74/371325174.db2.gz YHYMGVRBLXJBCG-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000624124142 371325179 /nfs/dbraw/zinc/32/51/79/371325179.db2.gz YHYMGVRBLXJBCG-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOCC1CCC1 ZINC000573197705 326434588 /nfs/dbraw/zinc/43/45/88/326434588.db2.gz VVOMZCCBXFRIMZ-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H]1CCO[C@@H]1C ZINC000631822221 372584274 /nfs/dbraw/zinc/58/42/74/372584274.db2.gz WVOQBYIPPWCDDK-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1C[C@@H]1CCO[C@@H]1C ZINC000631822221 372584276 /nfs/dbraw/zinc/58/42/76/372584276.db2.gz WVOQBYIPPWCDDK-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO Cc1nccnc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000631820462 372593647 /nfs/dbraw/zinc/59/36/47/372593647.db2.gz AONLGSMEGHPAII-SNVBAGLBSA-N 1 3 234.347 1.344 20 0 BDADHO CC(C)OCC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631833281 372616247 /nfs/dbraw/zinc/61/62/47/372616247.db2.gz XFZNASFMJUTFRW-GFCCVEGCSA-N 1 3 214.353 1.615 20 0 BDADHO CC(C)OCC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631833281 372616250 /nfs/dbraw/zinc/61/62/50/372616250.db2.gz XFZNASFMJUTFRW-GFCCVEGCSA-N 1 3 214.353 1.615 20 0 BDADHO CCC(CC)CN1CCC([NH2+]CCO)CC1 ZINC000631861724 372663478 /nfs/dbraw/zinc/66/34/78/372663478.db2.gz HWFAVKKUNBUVHF-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)(C)CCC[NH+]1CCC(NCCO)CC1 ZINC000631863379 372666505 /nfs/dbraw/zinc/66/65/05/372666505.db2.gz VPSPVVBMWHVSOH-UHFFFAOYSA-N 1 3 242.407 1.859 20 0 BDADHO FC(F)[C@H]1CCN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000631866182 372666741 /nfs/dbraw/zinc/66/67/41/372666741.db2.gz UWQPDUWVMNFGTL-WDEREUQCSA-N 1 3 248.317 1.342 20 0 BDADHO C([C@H]1CCCCO1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890096 372686274 /nfs/dbraw/zinc/68/62/74/372686274.db2.gz MCWNEHULHGQGNZ-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631890096 372686280 /nfs/dbraw/zinc/68/62/80/372686280.db2.gz MCWNEHULHGQGNZ-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631890096 372686287 /nfs/dbraw/zinc/68/62/87/372686287.db2.gz MCWNEHULHGQGNZ-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H](NCCC[NH3+])C1 ZINC000437795881 206073733 /nfs/dbraw/zinc/07/37/33/206073733.db2.gz HHWPYKFTMNOIPF-HIFRSBDPSA-N 1 3 247.386 1.760 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336701862 169078738 /nfs/dbraw/zinc/07/87/38/169078738.db2.gz JYTVYSSVAOGTKD-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336701862 169078739 /nfs/dbraw/zinc/07/87/39/169078739.db2.gz JYTVYSSVAOGTKD-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO Oc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000129176571 183269217 /nfs/dbraw/zinc/26/92/17/183269217.db2.gz FTQXKGUHWRWZRR-CYBMUJFWSA-N 1 3 234.343 1.666 20 0 BDADHO Oc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000129176571 183269219 /nfs/dbraw/zinc/26/92/19/183269219.db2.gz FTQXKGUHWRWZRR-CYBMUJFWSA-N 1 3 234.343 1.666 20 0 BDADHO CCCN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000019516483 169202822 /nfs/dbraw/zinc/20/28/22/169202822.db2.gz CAHXKJZLGGNRRA-UHFFFAOYSA-N 1 3 225.380 1.014 20 0 BDADHO CCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374429011 169205730 /nfs/dbraw/zinc/20/57/30/169205730.db2.gz NNFCPVMWZSBNDK-RWMBFGLXSA-N 1 3 226.364 1.580 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256496 169210494 /nfs/dbraw/zinc/21/04/94/169210494.db2.gz LGGQIRCURAUPAC-FRRDWIJNSA-N 1 3 208.349 1.813 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256496 169210496 /nfs/dbraw/zinc/21/04/96/169210496.db2.gz LGGQIRCURAUPAC-FRRDWIJNSA-N 1 3 208.349 1.813 20 0 BDADHO c1ccc(CCCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107580105 183392184 /nfs/dbraw/zinc/39/21/84/183392184.db2.gz BSHIDQXRMQJSCA-GASCZTMLSA-N 1 3 230.355 1.770 20 0 BDADHO c1ccc(CN2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000082546184 183397149 /nfs/dbraw/zinc/39/71/49/183397149.db2.gz ANQFXPHCUZQSRM-UHFFFAOYSA-N 1 3 231.343 1.657 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831332 169389845 /nfs/dbraw/zinc/38/98/45/169389845.db2.gz MHNMVVKCUUSUKV-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236785734 169391915 /nfs/dbraw/zinc/39/19/15/169391915.db2.gz IWFKIMLDJZCUTD-GFCCVEGCSA-N 1 3 235.331 1.472 20 0 BDADHO CN1CCC[C@@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000179255271 134319274 /nfs/dbraw/zinc/31/92/74/134319274.db2.gz BLTASFVXFXYGRK-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO CO[C@@H](C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000182063008 134341358 /nfs/dbraw/zinc/34/13/58/134341358.db2.gz IWOGLEGJZJQABP-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000224989461 134352290 /nfs/dbraw/zinc/35/22/90/134352290.db2.gz XNZGBETVCPVEQX-QWHCGFSZSA-N 1 3 228.380 1.909 20 0 BDADHO COC(=O)CCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000226466851 134363713 /nfs/dbraw/zinc/36/37/13/134363713.db2.gz GLYAZBQYOWDDCS-NSHDSACASA-N 1 3 228.336 1.014 20 0 BDADHO CO[C@H](CNC[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190173 383867454 /nfs/dbraw/zinc/86/74/54/383867454.db2.gz WCYXKMYEFKYLKA-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](C[NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000400190173 383867463 /nfs/dbraw/zinc/86/74/63/383867463.db2.gz WCYXKMYEFKYLKA-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](NCC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795099 383875585 /nfs/dbraw/zinc/87/55/85/383875585.db2.gz ZSDLWABDJDLXAN-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@H](NCC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795099 383875588 /nfs/dbraw/zinc/87/55/88/383875588.db2.gz ZSDLWABDJDLXAN-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO CN1CCN(CCCC[NH2+]CC2(C)CC2)CC1 ZINC000518463113 383912875 /nfs/dbraw/zinc/91/28/75/383912875.db2.gz PPDDNHNHONBEBX-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2COCC2(C)C)CC1 ZINC000313133194 383920689 /nfs/dbraw/zinc/92/06/89/383920689.db2.gz ZUOVZTCFFYNPCH-CYBMUJFWSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000643545435 384007871 /nfs/dbraw/zinc/00/78/71/384007871.db2.gz UCILWVBNVLATRL-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1CCCO1 ZINC000643548651 384037751 /nfs/dbraw/zinc/03/77/51/384037751.db2.gz SRHVBAHKHBIEQB-AVGNSLFASA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCO1 ZINC000643548651 384037757 /nfs/dbraw/zinc/03/77/57/384037757.db2.gz SRHVBAHKHBIEQB-AVGNSLFASA-N 1 3 238.375 1.818 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000394103404 384100821 /nfs/dbraw/zinc/10/08/21/384100821.db2.gz WLPPEHDXZWXZBM-FRRDWIJNSA-N 1 3 228.380 1.358 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222960098 384150960 /nfs/dbraw/zinc/15/09/60/384150960.db2.gz FICWTUPZLYAVQX-UTUOFQBUSA-N 1 3 222.336 1.131 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305287235 384165226 /nfs/dbraw/zinc/16/52/26/384165226.db2.gz DBNPCGQTBCZYEG-RFQIPJPRSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305287235 384165236 /nfs/dbraw/zinc/16/52/36/384165236.db2.gz DBNPCGQTBCZYEG-RFQIPJPRSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2ccno2)CC1 ZINC000082475039 384231766 /nfs/dbraw/zinc/23/17/66/384231766.db2.gz ICUULSSGUKNGKR-SECBINFHSA-N 1 3 209.293 1.234 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236201256 384240490 /nfs/dbraw/zinc/24/04/90/384240490.db2.gz SZGDAVAXPMSASG-ZJUUUORDSA-N 1 3 236.306 1.375 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOCC(F)F ZINC000236201256 384240494 /nfs/dbraw/zinc/24/04/94/384240494.db2.gz SZGDAVAXPMSASG-ZJUUUORDSA-N 1 3 236.306 1.375 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCCO2)C[C@@H]1CN ZINC000397476080 384253064 /nfs/dbraw/zinc/25/30/64/384253064.db2.gz GWVQDZBLSHILBK-RFGFWPKPSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1CN ZINC000397476080 384253069 /nfs/dbraw/zinc/25/30/69/384253069.db2.gz GWVQDZBLSHILBK-RFGFWPKPSA-N 1 3 240.391 1.861 20 0 BDADHO CCOCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645427 384253158 /nfs/dbraw/zinc/25/31/58/384253158.db2.gz UQTCOSXEPWFCFC-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3cccnc3)C[C@H]21 ZINC000228472012 384257304 /nfs/dbraw/zinc/25/73/04/384257304.db2.gz ZEBXEIIFILXLPY-RBSFLKMASA-N 1 3 245.370 1.683 20 0 BDADHO CCC[C@H](C)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313340149 384269563 /nfs/dbraw/zinc/26/95/63/384269563.db2.gz LPYMHHAPDHKGQF-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H](NC1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000335434664 384275140 /nfs/dbraw/zinc/27/51/40/384275140.db2.gz IWWYYBNJOCARRB-CMPLNLGQSA-N 1 3 212.337 1.286 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000173903219 384284577 /nfs/dbraw/zinc/28/45/77/384284577.db2.gz GVLWVAGJDOGKSV-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000173903219 384284580 /nfs/dbraw/zinc/28/45/80/384284580.db2.gz GVLWVAGJDOGKSV-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO C[C@@H](O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000305661120 384292189 /nfs/dbraw/zinc/29/21/89/384292189.db2.gz XYTBPAGTCRULQY-OCCSQVGLSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCOC)[C@H](C)C1 ZINC000174782304 384365739 /nfs/dbraw/zinc/36/57/39/384365739.db2.gz JAWICQBOHYXGHG-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCOC)[C@H](C)C1 ZINC000174782304 384365743 /nfs/dbraw/zinc/36/57/43/384365743.db2.gz JAWICQBOHYXGHG-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO CCOCCNC1CC[NH+](CC)CC1 ZINC000035151265 384401051 /nfs/dbraw/zinc/40/10/51/384401051.db2.gz HAUPJSJOOFQTNL-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](C)C(C)(C)C1 ZINC000566416519 384412848 /nfs/dbraw/zinc/41/28/48/384412848.db2.gz MOIAQALPSUWGED-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C)C(C)(C)C1 ZINC000566416519 384412851 /nfs/dbraw/zinc/41/28/51/384412851.db2.gz MOIAQALPSUWGED-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO C[C@@H](CN(C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309880529 384461788 /nfs/dbraw/zinc/46/17/88/384461788.db2.gz VFEZPABTLHQQFR-AVGNSLFASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN(C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309880529 384461793 /nfs/dbraw/zinc/46/17/93/384461793.db2.gz VFEZPABTLHQQFR-AVGNSLFASA-N 1 3 225.380 1.153 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647177218 384500114 /nfs/dbraw/zinc/50/01/14/384500114.db2.gz QHRFXOFCQUNNFZ-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647177218 384500115 /nfs/dbraw/zinc/50/01/15/384500115.db2.gz QHRFXOFCQUNNFZ-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[NH+](CC)[C@H](CNC(=O)CN)c1ccccc1 ZINC000019479104 384524436 /nfs/dbraw/zinc/52/44/36/384524436.db2.gz CBWMGSRCBWCMAF-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO CC(C)n1nccc1CNCCCC[NH+](C)C ZINC000354206480 384556165 /nfs/dbraw/zinc/55/61/65/384556165.db2.gz CPNYSBWJRMTMSU-UHFFFAOYSA-N 1 3 238.379 1.895 20 0 BDADHO COC[C@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123724089 384577817 /nfs/dbraw/zinc/57/78/17/384577817.db2.gz ANHUKBAJSMKGDS-LBPRGKRZSA-N 1 3 236.359 1.873 20 0 BDADHO COC[C@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000123724089 384577822 /nfs/dbraw/zinc/57/78/22/384577822.db2.gz ANHUKBAJSMKGDS-LBPRGKRZSA-N 1 3 236.359 1.873 20 0 BDADHO Cc1cccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423085695 384565598 /nfs/dbraw/zinc/56/55/98/384565598.db2.gz LFDWMKZLRQDSCJ-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)n1 ZINC000423085695 384565605 /nfs/dbraw/zinc/56/56/05/384565605.db2.gz LFDWMKZLRQDSCJ-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000423089381 384565696 /nfs/dbraw/zinc/56/56/96/384565696.db2.gz VABARGURIACSIQ-YIONKMFJSA-N 1 3 245.370 1.805 20 0 BDADHO Cc1cccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000423085696 384566532 /nfs/dbraw/zinc/56/65/32/384566532.db2.gz LFDWMKZLRQDSCJ-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)n1 ZINC000423085696 384566537 /nfs/dbraw/zinc/56/65/37/384566537.db2.gz LFDWMKZLRQDSCJ-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO CC(C)C[C@H](C)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300837277 384596665 /nfs/dbraw/zinc/59/66/65/384596665.db2.gz CTLKADREZREWTE-RWMBFGLXSA-N 1 3 210.365 1.820 20 0 BDADHO Nc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000647535836 384648345 /nfs/dbraw/zinc/64/83/45/384648345.db2.gz YAJDPJYEJSPYGC-NSHDSACASA-N 1 3 234.347 1.055 20 0 BDADHO CN(CCOCC[NH3+])CCc1cccs1 ZINC000086442226 384650988 /nfs/dbraw/zinc/65/09/88/384650988.db2.gz PVAFBJRWEGARLW-UHFFFAOYSA-N 1 3 228.361 1.198 20 0 BDADHO C[C@H](O)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300362995 384696911 /nfs/dbraw/zinc/69/69/11/384696911.db2.gz DHJZECHXPNMWAW-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](O)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300362995 384696917 /nfs/dbraw/zinc/69/69/17/384696917.db2.gz DHJZECHXPNMWAW-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CO)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300413370 384776160 /nfs/dbraw/zinc/77/61/60/384776160.db2.gz BFEBXNJHRLCPOD-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300413370 384776166 /nfs/dbraw/zinc/77/61/66/384776166.db2.gz BFEBXNJHRLCPOD-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300413370 384776172 /nfs/dbraw/zinc/77/61/72/384776172.db2.gz BFEBXNJHRLCPOD-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H]1C[NH2+]C[C@@H](NCC2(CCO)CCCC2)C1 ZINC000647550511 384748211 /nfs/dbraw/zinc/74/82/11/384748211.db2.gz VHYHAURSUDPQMW-OLZOCXBDSA-N 1 3 240.391 1.517 20 0 BDADHO COC[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000053172044 384767362 /nfs/dbraw/zinc/76/73/62/384767362.db2.gz BTDLLDDZCVDMKU-JTQLQIEISA-N 1 3 202.342 1.199 20 0 BDADHO C[C@H]1CC2(CN1CC(C)(C)[NH3+])CCOCC2 ZINC000647553208 384769719 /nfs/dbraw/zinc/76/97/19/384769719.db2.gz IXLKMDGTGAFVDI-NSHDSACASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000054343553 384832942 /nfs/dbraw/zinc/83/29/42/384832942.db2.gz PBWRUOYZBIZNOU-AAEUAGOBSA-N 1 3 249.358 1.000 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)Cn1cccn1)CN(C)C ZINC000309730268 384782131 /nfs/dbraw/zinc/78/21/31/384782131.db2.gz FEVQDKNWEZNRMK-RYUDHWBXSA-N 1 3 224.352 1.059 20 0 BDADHO C[C@@H](CN[C@@H](C)Cn1cccn1)C[NH+](C)C ZINC000309730268 384782136 /nfs/dbraw/zinc/78/21/36/384782136.db2.gz FEVQDKNWEZNRMK-RYUDHWBXSA-N 1 3 224.352 1.059 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNCCCOC(C)C ZINC000107786169 384784847 /nfs/dbraw/zinc/78/48/47/384784847.db2.gz GSTSYTBCRJPRMR-GFCCVEGCSA-N 1 3 216.369 1.765 20 0 BDADHO CN(Cc1cccnc1)CC1CC[NH+](C)CC1 ZINC000104083794 384796278 /nfs/dbraw/zinc/79/62/78/384796278.db2.gz ASQVKVOMONHXDF-UHFFFAOYSA-N 1 3 233.359 1.855 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOC(F)(F)F ZINC000398258119 384870183 /nfs/dbraw/zinc/87/01/83/384870183.db2.gz RNGIGEMYBRRPAL-YUMQZZPRSA-N 1 3 226.242 1.240 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000398258119 384870185 /nfs/dbraw/zinc/87/01/85/384870185.db2.gz RNGIGEMYBRRPAL-YUMQZZPRSA-N 1 3 226.242 1.240 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H](CO)CC1 ZINC000339754707 384880848 /nfs/dbraw/zinc/88/08/48/384880848.db2.gz UYMZUKKINSODCI-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H](CO)CC1 ZINC000339754707 384880852 /nfs/dbraw/zinc/88/08/52/384880852.db2.gz UYMZUKKINSODCI-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000423389237 384853125 /nfs/dbraw/zinc/85/31/25/384853125.db2.gz ODIAJXXWABMVJB-TUAOUCFPSA-N 1 3 214.353 1.661 20 0 BDADHO CC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000233028982 259659399 /nfs/dbraw/zinc/65/93/99/259659399.db2.gz QMQXUEVACWXPQZ-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO C[N@H+](CCCC(C)(C)C)C[C@@H](O)CN ZINC000308668448 384908988 /nfs/dbraw/zinc/90/89/88/384908988.db2.gz UKDWDXAQWUKQIU-JTQLQIEISA-N 1 3 202.342 1.064 20 0 BDADHO C[N@@H+](CCCC(C)(C)C)C[C@@H](O)CN ZINC000308668448 384908993 /nfs/dbraw/zinc/90/89/93/384908993.db2.gz UKDWDXAQWUKQIU-JTQLQIEISA-N 1 3 202.342 1.064 20 0 BDADHO CN(CCCC(C)(C)C)C[C@@H](O)C[NH3+] ZINC000308668448 384908996 /nfs/dbraw/zinc/90/89/96/384908996.db2.gz UKDWDXAQWUKQIU-JTQLQIEISA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000259221226 384959512 /nfs/dbraw/zinc/95/95/12/384959512.db2.gz XOLHKZZQMZULET-CHWSQXEVSA-N 1 3 233.359 1.829 20 0 BDADHO c1ccc(COCC[NH2+]C2CCNCC2)cc1 ZINC000307363188 384990932 /nfs/dbraw/zinc/99/09/32/384990932.db2.gz HJLFRWSXDSQUQK-UHFFFAOYSA-N 1 3 234.343 1.545 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000226396999 385008412 /nfs/dbraw/zinc/00/84/12/385008412.db2.gz UKCBVXYRCAVIJW-GHMZBOCLSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000226396999 385008419 /nfs/dbraw/zinc/00/84/19/385008419.db2.gz UKCBVXYRCAVIJW-GHMZBOCLSA-N 1 3 243.395 1.206 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367242 385008833 /nfs/dbraw/zinc/00/88/33/385008833.db2.gz WNBJQRLDPRZVHT-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367242 385008838 /nfs/dbraw/zinc/00/88/38/385008838.db2.gz WNBJQRLDPRZVHT-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000340498720 385073113 /nfs/dbraw/zinc/07/31/13/385073113.db2.gz BDVJZLYPKVLCKX-XQQFMLRXSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000340498720 385073121 /nfs/dbraw/zinc/07/31/21/385073121.db2.gz BDVJZLYPKVLCKX-XQQFMLRXSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCN2CCC[C@@H]2C1)C(C)(C)O ZINC000340498720 385073125 /nfs/dbraw/zinc/07/31/25/385073125.db2.gz BDVJZLYPKVLCKX-XQQFMLRXSA-N 1 3 240.391 1.752 20 0 BDADHO CO[C@H](CNC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000340487054 385074488 /nfs/dbraw/zinc/07/44/88/385074488.db2.gz LFKLZRMEEVWBHQ-CQSZACIVSA-N 1 3 240.391 1.874 20 0 BDADHO OCCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157341765 385149879 /nfs/dbraw/zinc/14/98/79/385149879.db2.gz MKDYMCIWWDBMPI-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO OCCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000157341765 385149885 /nfs/dbraw/zinc/14/98/85/385149885.db2.gz MKDYMCIWWDBMPI-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO OCCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000157341765 385149888 /nfs/dbraw/zinc/14/98/88/385149888.db2.gz MKDYMCIWWDBMPI-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO OC1(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810207 385168725 /nfs/dbraw/zinc/16/87/25/385168725.db2.gz PGYOZXJGQZOJOC-QWHCGFSZSA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810207 385168730 /nfs/dbraw/zinc/16/87/30/385168730.db2.gz PGYOZXJGQZOJOC-QWHCGFSZSA-N 1 3 238.375 1.508 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000157577278 385219357 /nfs/dbraw/zinc/21/93/57/385219357.db2.gz PIMFVWPUJYBDPW-BFHYXJOUSA-N 1 3 238.375 1.772 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000157577278 385219360 /nfs/dbraw/zinc/21/93/60/385219360.db2.gz PIMFVWPUJYBDPW-BFHYXJOUSA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@@H](N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000036871221 385230412 /nfs/dbraw/zinc/23/04/12/385230412.db2.gz WIPHJFHVYZLBHR-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000036871221 385230418 /nfs/dbraw/zinc/23/04/18/385230418.db2.gz WIPHJFHVYZLBHR-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CN1CCC(O)(C[NH2+]CC(C)(C)C)CC1 ZINC000308966892 385319012 /nfs/dbraw/zinc/31/90/12/385319012.db2.gz WJDJADPRBQNNSE-UHFFFAOYSA-N 1 3 214.353 1.079 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000220690685 385262181 /nfs/dbraw/zinc/26/21/81/385262181.db2.gz DHNAFYYILJJUMF-MWLCHTKSSA-N 1 3 214.378 1.599 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2NCC2(C)C)c1 ZINC000647096217 385287443 /nfs/dbraw/zinc/28/74/43/385287443.db2.gz DCYGWTONITXYPM-LBPRGKRZSA-N 1 3 247.342 1.390 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2NCC2(C)C)c1 ZINC000647096216 385287534 /nfs/dbraw/zinc/28/75/34/385287534.db2.gz DCYGWTONITXYPM-GFCCVEGCSA-N 1 3 247.342 1.390 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)CN(C)C ZINC000308925286 385296860 /nfs/dbraw/zinc/29/68/60/385296860.db2.gz PYIILOZQSVLNAV-GRYCIOLGSA-N 1 3 214.353 1.199 20 0 BDADHO CC(C)(O)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157897373 385301503 /nfs/dbraw/zinc/30/15/03/385301503.db2.gz XGXUYAWSZFAZRK-VXGBXAGGSA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)(O)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157897373 385301505 /nfs/dbraw/zinc/30/15/05/385301505.db2.gz XGXUYAWSZFAZRK-VXGBXAGGSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000165111659 385350972 /nfs/dbraw/zinc/35/09/72/385350972.db2.gz UIDBOKOTWWIKAX-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000165111659 385350976 /nfs/dbraw/zinc/35/09/76/385350976.db2.gz UIDBOKOTWWIKAX-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CO[C@@H](C)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000182193807 385433625 /nfs/dbraw/zinc/43/36/25/385433625.db2.gz MGQNXKAREBZZKD-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO CO[C@@H](C)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000182193807 385433628 /nfs/dbraw/zinc/43/36/28/385433628.db2.gz MGQNXKAREBZZKD-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO CCOc1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000309422071 385576309 /nfs/dbraw/zinc/57/63/09/385576309.db2.gz YEHCMUPGCJDXBY-LLVKDONJSA-N 1 3 222.332 1.770 20 0 BDADHO COC1(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000319171259 385553314 /nfs/dbraw/zinc/55/33/14/385553314.db2.gz LVVZTFISURXVSW-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](C)CN ZINC000309401467 385571326 /nfs/dbraw/zinc/57/13/26/385571326.db2.gz VHTCLKJASIZGTP-WDEREUQCSA-N 1 3 224.323 1.941 20 0 BDADHO Fc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000647789592 385619488 /nfs/dbraw/zinc/61/94/88/385619488.db2.gz HWZJSVGVSYOARE-DMDPSCGWSA-N 1 3 249.333 1.698 20 0 BDADHO CC(C)c1ccc([C@@H](N)CN[C@H]2CC[NH2+]C2)cc1 ZINC000414851331 385653172 /nfs/dbraw/zinc/65/31/72/385653172.db2.gz UBEGVIBWKDFRQI-GJZGRUSLSA-N 1 3 247.386 1.761 20 0 BDADHO c1ccc([C@@H]2C[C@@H]2N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000643367028 385654255 /nfs/dbraw/zinc/65/42/55/385654255.db2.gz YCTDPYKCMMDWBS-KBXIAJHMSA-N 1 3 228.339 1.694 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1C ZINC000336694843 385741809 /nfs/dbraw/zinc/74/18/09/385741809.db2.gz NPHZPYOTZJYICL-UTUOFQBUSA-N 1 3 214.353 1.199 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](CO)C(C)(C)C ZINC000309637363 385760088 /nfs/dbraw/zinc/76/00/88/385760088.db2.gz JUUNPFCONJOMGN-LBPRGKRZSA-N 1 3 230.396 1.715 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](CO)C(C)(C)C ZINC000309637363 385760090 /nfs/dbraw/zinc/76/00/90/385760090.db2.gz JUUNPFCONJOMGN-LBPRGKRZSA-N 1 3 230.396 1.715 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000414944353 385777259 /nfs/dbraw/zinc/77/72/59/385777259.db2.gz NSMTXEWTVCRCMK-KCQAQPDRSA-N 1 3 247.386 1.444 20 0 BDADHO CCc1ncc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647798673 385798336 /nfs/dbraw/zinc/79/83/36/385798336.db2.gz VJKWEEPBWDVEDJ-SDDRHHMPSA-N 1 3 249.358 1.715 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)CCO1 ZINC000414950898 385820872 /nfs/dbraw/zinc/82/08/72/385820872.db2.gz PEARLJAUWGVNME-MQYQWHSLSA-N 1 3 240.391 1.920 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]C[C@@H](C)CN ZINC000414869221 385837235 /nfs/dbraw/zinc/83/72/35/385837235.db2.gz AIOCOPPCTLABLQ-QWRGUYRKSA-N 1 3 202.342 1.232 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)CO1 ZINC000647804807 385839797 /nfs/dbraw/zinc/83/97/97/385839797.db2.gz ZYHHOMSGCGHXDN-USZNOCQGSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000647804449 385841238 /nfs/dbraw/zinc/84/12/38/385841238.db2.gz QUPINFOYENDECL-QCLAVDOMSA-N 1 3 200.351 1.350 20 0 BDADHO [NH3+]CC[C@H]1CCCN(Cc2ccno2)C1 ZINC000069724358 385854702 /nfs/dbraw/zinc/85/47/02/385854702.db2.gz VELXWNTYAXMGLO-SNVBAGLBSA-N 1 3 209.293 1.235 20 0 BDADHO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)CN ZINC000414876601 385909684 /nfs/dbraw/zinc/90/96/84/385909684.db2.gz LTUDCHJYNZLMRB-WDEREUQCSA-N 1 3 224.323 1.941 20 0 BDADHO C[C@H](Cc1ccccc1F)NC[C@@H](C)C[NH3+] ZINC000414876601 385909686 /nfs/dbraw/zinc/90/96/86/385909686.db2.gz LTUDCHJYNZLMRB-WDEREUQCSA-N 1 3 224.323 1.941 20 0 BDADHO COCC[C@H](C)[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000122353637 385913653 /nfs/dbraw/zinc/91/36/53/385913653.db2.gz GCYQIDRSUDGKFT-HBNTYKKESA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000122353637 385913660 /nfs/dbraw/zinc/91/36/60/385913660.db2.gz GCYQIDRSUDGKFT-HBNTYKKESA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)[C@@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000084126084 385865181 /nfs/dbraw/zinc/86/51/81/385865181.db2.gz VEEVBUFKYYICQY-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)[C@@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000084126084 385865183 /nfs/dbraw/zinc/86/51/83/385865183.db2.gz VEEVBUFKYYICQY-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000294961276 385928063 /nfs/dbraw/zinc/92/80/63/385928063.db2.gz FXSSWNJPFUCDNA-LBPRGKRZSA-N 1 3 233.315 1.008 20 0 BDADHO CCC[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295161722 385980246 /nfs/dbraw/zinc/98/02/46/385980246.db2.gz KPWSMJJGLSSDMT-ZDUSSCGKSA-N 1 3 247.342 1.398 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039010 385931144 /nfs/dbraw/zinc/93/11/44/385931144.db2.gz KCHMVBHZAPESJR-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO CC[NH2+][C@H](C)CNC1CCC(C(=O)OC)CC1 ZINC000414968839 385943292 /nfs/dbraw/zinc/94/32/92/385943292.db2.gz YNYOGFBRJRFPFH-VOMCLLRMSA-N 1 3 242.363 1.306 20 0 BDADHO CCCC[C@H](COC)NCC1([NH3+])CCC1 ZINC000414881264 385994013 /nfs/dbraw/zinc/99/40/13/385994013.db2.gz SCZWOGUSYSPPOZ-LLVKDONJSA-N 1 3 214.353 1.663 20 0 BDADHO CCN(CC)CCC[N@H+](CCO)C1CCC1 ZINC000338346040 385973645 /nfs/dbraw/zinc/97/36/45/385973645.db2.gz BJVSWVOTJHGGCK-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@@H+](CCO)C1CCC1 ZINC000338346040 385973649 /nfs/dbraw/zinc/97/36/49/385973649.db2.gz BJVSWVOTJHGGCK-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO CO[C@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424220 386043651 /nfs/dbraw/zinc/04/36/51/386043651.db2.gz WADZOEZLBPWHNN-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424220 386043657 /nfs/dbraw/zinc/04/36/57/386043657.db2.gz WADZOEZLBPWHNN-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO C[NH2+][C@H](C)CNC[C@@H](C)CC1CCOCC1 ZINC000414980237 386053076 /nfs/dbraw/zinc/05/30/76/386053076.db2.gz WBUIVELZWUETOZ-NWDGAFQWSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC000414885369 386054597 /nfs/dbraw/zinc/05/45/97/386054597.db2.gz GKFSYMGBLJGENX-FRRDWIJNSA-N 1 3 226.364 1.532 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000365384066 386073365 /nfs/dbraw/zinc/07/33/65/386073365.db2.gz JNAJBRNAHHZNOH-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](C[N@H+](C)CCCN1CCCC1)C1CC1 ZINC000425443007 386076601 /nfs/dbraw/zinc/07/66/01/386076601.db2.gz LAJGGJXFJYFOOF-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@H](C[N@@H+](C)CCCN1CCCC1)C1CC1 ZINC000425443007 386076603 /nfs/dbraw/zinc/07/66/03/386076603.db2.gz LAJGGJXFJYFOOF-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000365401954 386080741 /nfs/dbraw/zinc/08/07/41/386080741.db2.gz HHOANDJQKXQWGF-ZDUSSCGKSA-N 1 3 236.363 1.299 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000365401954 386080742 /nfs/dbraw/zinc/08/07/42/386080742.db2.gz HHOANDJQKXQWGF-ZDUSSCGKSA-N 1 3 236.363 1.299 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000414887142 386084084 /nfs/dbraw/zinc/08/40/84/386084084.db2.gz YUJUUSVRYAGYHU-YUMQZZPRSA-N 1 3 212.259 1.902 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H]1CCc2c(cccc2OC)C1 ZINC000414992454 386156588 /nfs/dbraw/zinc/15/65/88/386156588.db2.gz RPEFJYAGZDGQEC-OLZOCXBDSA-N 1 3 248.370 1.879 20 0 BDADHO [NH3+]CCCN(CCCO)[C@H]1CCc2ccccc21 ZINC000414697715 386201265 /nfs/dbraw/zinc/20/12/65/386201265.db2.gz QCRHTURCNKJJAT-HNNXBMFYSA-N 1 3 248.370 1.707 20 0 BDADHO CCCc1csc(CNCCCC[NH3+])n1 ZINC000414897698 386215193 /nfs/dbraw/zinc/21/51/93/386215193.db2.gz CEVNIONSVBMBAC-UHFFFAOYSA-N 1 3 227.377 1.924 20 0 BDADHO CCS[C@@H]1CC[C@@H]([N@H+](C)CCCN)C1 ZINC000414712641 386229013 /nfs/dbraw/zinc/22/90/13/386229013.db2.gz UXCMPICJZYUFFE-GHMZBOCLSA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCN)C1 ZINC000414712641 386229016 /nfs/dbraw/zinc/22/90/16/386229016.db2.gz UXCMPICJZYUFFE-GHMZBOCLSA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@@H]1CC[C@@H](N(C)CCC[NH3+])C1 ZINC000414712641 386229017 /nfs/dbraw/zinc/22/90/17/386229017.db2.gz UXCMPICJZYUFFE-GHMZBOCLSA-N 1 3 216.394 1.941 20 0 BDADHO CCC[C@@](C)(CO)NC[C@@H]([NH3+])CC(C)C ZINC000414713202 386229842 /nfs/dbraw/zinc/22/98/42/386229842.db2.gz TYFVYYPLPMWDJU-RYUDHWBXSA-N 1 3 216.369 1.501 20 0 BDADHO CCC[C@@H]1CN(C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414712357 386230532 /nfs/dbraw/zinc/23/05/32/386230532.db2.gz UAPCHJANKZFCBX-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)[C@@H]1CN(CCC[NH3+])CCS1 ZINC000414713411 386232047 /nfs/dbraw/zinc/23/20/47/386232047.db2.gz VSRLLLFFSAUXKS-JTQLQIEISA-N 1 3 202.367 1.409 20 0 BDADHO CC[C@@H]1C[C@H](CN2CCC([NH2+]C)CC2)CCO1 ZINC000347140057 386258904 /nfs/dbraw/zinc/25/89/04/386258904.db2.gz WAJCXGKJWXBESZ-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](C[NH+]2CCC(NC)CC2)CCO1 ZINC000347140057 386258906 /nfs/dbraw/zinc/25/89/06/386258906.db2.gz WAJCXGKJWXBESZ-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CCS[C@@H]1CCCC[N@H+](CCCN)C1 ZINC000414698437 386199327 /nfs/dbraw/zinc/19/93/27/386199327.db2.gz QVNUJRRUYNXGBO-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCS[C@@H]1CCCC[N@@H+](CCCN)C1 ZINC000414698437 386199337 /nfs/dbraw/zinc/19/93/37/386199337.db2.gz QVNUJRRUYNXGBO-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCS[C@@H]1CCCCN(CCC[NH3+])C1 ZINC000414698437 386199339 /nfs/dbraw/zinc/19/93/39/386199339.db2.gz QVNUJRRUYNXGBO-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCc1ccc([C@@H]2CNCCN2CCC[NH3+])cc1 ZINC000414732904 386291799 /nfs/dbraw/zinc/29/17/99/386291799.db2.gz IYQZOMVDDYFXCH-HNNXBMFYSA-N 1 3 247.386 1.544 20 0 BDADHO C[C@H]1C[C@@H](CN2CCOCC23CCC3)CC[NH2+]1 ZINC000335260617 386318827 /nfs/dbraw/zinc/31/88/27/386318827.db2.gz ZKUXYCNXZXDZAQ-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000335260932 386319018 /nfs/dbraw/zinc/31/90/18/386319018.db2.gz XXCLQTUVRWPKQV-GFCCVEGCSA-N 1 3 226.364 1.330 20 0 BDADHO CC(C)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000335260932 386319023 /nfs/dbraw/zinc/31/90/23/386319023.db2.gz XXCLQTUVRWPKQV-GFCCVEGCSA-N 1 3 226.364 1.330 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCC([C@H]2CCCO2)CC1 ZINC000647988760 386319128 /nfs/dbraw/zinc/31/91/28/386319128.db2.gz IGFJSTFNIFFJTI-TZMCWYRMSA-N 1 3 238.375 1.487 20 0 BDADHO CC[C@@H](C)N(CCO)CC[C@H]1CCC[N@@H+]1C ZINC000336658433 386274664 /nfs/dbraw/zinc/27/46/64/386274664.db2.gz MTLSJBGQQAEFGF-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](C)N(CCO)CC[C@H]1CCC[N@H+]1C ZINC000336658433 386274667 /nfs/dbraw/zinc/27/46/67/386274667.db2.gz MTLSJBGQQAEFGF-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336682733 386340452 /nfs/dbraw/zinc/34/04/52/386340452.db2.gz YPOJKIBVHYNFLB-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336682733 386340455 /nfs/dbraw/zinc/34/04/55/386340455.db2.gz YPOJKIBVHYNFLB-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CC[C@H](C2CCOCC2)C1 ZINC000647989580 386358628 /nfs/dbraw/zinc/35/86/28/386358628.db2.gz HMBRRMVLZRIEAK-OCCSQVGLSA-N 1 3 238.375 1.344 20 0 BDADHO CC1(C)[C@H](NCC[C@H]2CCC[NH2+]2)[C@H]2CCO[C@@H]21 ZINC000414904917 386359464 /nfs/dbraw/zinc/35/94/64/386359464.db2.gz MVEUWZUUEZPYNJ-LPWJVIDDSA-N 1 3 238.375 1.532 20 0 BDADHO C(OC1CCN(C[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000647890008 386363018 /nfs/dbraw/zinc/36/30/18/386363018.db2.gz FJALMQSSBSYOQU-ZDUSSCGKSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1(C)CC1 ZINC000336732529 386400173 /nfs/dbraw/zinc/40/01/73/386400173.db2.gz FXZPNPAISJVLMO-LLVKDONJSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000414757398 386402777 /nfs/dbraw/zinc/40/27/77/386402777.db2.gz LBTLKVJJSFVUNF-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000414757398 386402782 /nfs/dbraw/zinc/40/27/82/386402782.db2.gz LBTLKVJJSFVUNF-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CCC1(O)CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000336711626 386412333 /nfs/dbraw/zinc/41/23/33/386412333.db2.gz RMDZARKOZHIRAN-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO COC(=O)C(C)(C)CC[N@H+](C)CC(C)(C)CN ZINC000339409483 386414424 /nfs/dbraw/zinc/41/44/24/386414424.db2.gz ZMFDETYWMNWONJ-UHFFFAOYSA-N 1 3 244.379 1.492 20 0 BDADHO COC(=O)C(C)(C)CC[N@@H+](C)CC(C)(C)CN ZINC000339409483 386414429 /nfs/dbraw/zinc/41/44/29/386414429.db2.gz ZMFDETYWMNWONJ-UHFFFAOYSA-N 1 3 244.379 1.492 20 0 BDADHO CCCC[C@@H](COC)[NH2+]C1CCNCC1 ZINC000414787947 386528676 /nfs/dbraw/zinc/52/86/76/386528676.db2.gz ZUVFLHSILIHYMK-LBPRGKRZSA-N 1 3 214.353 1.533 20 0 BDADHO CCCC[C@@H](COC)NC1CC[NH2+]CC1 ZINC000414787947 386528680 /nfs/dbraw/zinc/52/86/80/386528680.db2.gz ZUVFLHSILIHYMK-LBPRGKRZSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1cnccn1 ZINC000227499089 386486550 /nfs/dbraw/zinc/48/65/50/386486550.db2.gz ZROIINVPANHULP-GFCCVEGCSA-N 1 3 248.374 1.859 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H](C)[C@@H](C)[NH3+] ZINC000415013148 386495228 /nfs/dbraw/zinc/49/52/28/386495228.db2.gz KIXUXOWJIALDGE-VWYCJHECSA-N 1 3 202.342 1.373 20 0 BDADHO COC(=O)c1coc(CN[C@H](C)CCC[NH3+])c1 ZINC000415025877 386514379 /nfs/dbraw/zinc/51/43/79/386514379.db2.gz RXWPUTQHPDSZII-SECBINFHSA-N 1 3 240.303 1.283 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@H]1C[NH3+] ZINC000331390306 386517211 /nfs/dbraw/zinc/51/72/11/386517211.db2.gz QAXJMZKRIGAFMH-DRZSPHRISA-N 1 3 248.374 1.515 20 0 BDADHO CCC[C@H](C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415033298 386521304 /nfs/dbraw/zinc/52/13/04/386521304.db2.gz GWHGVGYBUAHUDQ-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543656 386522548 /nfs/dbraw/zinc/52/25/48/386522548.db2.gz IAXPNOYMEFOKSA-NWDGAFQWSA-N 1 3 249.362 1.078 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543656 386522556 /nfs/dbraw/zinc/52/25/56/386522556.db2.gz IAXPNOYMEFOKSA-NWDGAFQWSA-N 1 3 249.362 1.078 20 0 BDADHO C[C@@H]1OCC[C@@]1(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000336780163 386523879 /nfs/dbraw/zinc/52/38/79/386523879.db2.gz QPSFPMYUBBIAGJ-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1OCC[C@@]1(C)NCC[C@@H]1CCC[N@H+]1C ZINC000336780163 386523884 /nfs/dbraw/zinc/52/38/84/386523884.db2.gz QPSFPMYUBBIAGJ-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@]1(C[NH2+]CC[C@H]2CCOC2)CCCNC1 ZINC000414917008 386524633 /nfs/dbraw/zinc/52/46/33/386524633.db2.gz QUAWTBPJHSORBC-QWHCGFSZSA-N 1 3 226.364 1.392 20 0 BDADHO C[C@H]1C[C@@H](CN(C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770222 386456002 /nfs/dbraw/zinc/45/60/02/386456002.db2.gz XVGDKWXUCNRTSF-RYUDHWBXSA-N 1 3 236.363 1.240 20 0 BDADHO CO[C@@]1(C)CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336725088 386461224 /nfs/dbraw/zinc/46/12/24/386461224.db2.gz MURRWDQKQJOMQJ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@@]1(C)CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336725088 386461228 /nfs/dbraw/zinc/46/12/28/386461228.db2.gz MURRWDQKQJOMQJ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CCN1CCCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000415076363 386579743 /nfs/dbraw/zinc/57/97/43/386579743.db2.gz GIAAQCYMMHTRQX-KGLIPLIRSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CNC[C@H]1O)C1CCCCC1 ZINC000414800240 386585136 /nfs/dbraw/zinc/58/51/36/386585136.db2.gz ZBZFTSBEZOQMKF-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]C[C@H]1O)C1CCCCC1 ZINC000414800240 386585141 /nfs/dbraw/zinc/58/51/41/386585141.db2.gz ZBZFTSBEZOQMKF-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO CCC[C@@H]1C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000300387209 386593025 /nfs/dbraw/zinc/59/30/25/386593025.db2.gz PEJGGNSBLZWBIX-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO COc1ccc2c(c1)C[C@H](NCC(C)(C)[NH3+])CC2 ZINC000414802666 386595358 /nfs/dbraw/zinc/59/53/58/386595358.db2.gz LBOUTXCCHDRWMM-CYBMUJFWSA-N 1 3 248.370 1.879 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CN(C)C[C@@H]1C ZINC000336755831 386548293 /nfs/dbraw/zinc/54/82/93/386548293.db2.gz GNLGIAKQYNXRBD-QWHCGFSZSA-N 1 3 227.396 1.258 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@H]2CCCC[NH2+]C2)CCO1 ZINC000415070284 386550675 /nfs/dbraw/zinc/55/06/75/386550675.db2.gz QMQBTGYLVUBXHA-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC000415070590 386551863 /nfs/dbraw/zinc/55/18/63/386551863.db2.gz YCJBRTPCEQSUQS-XZPDDHLCSA-N 1 3 208.349 1.619 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+]CCCNC2CC2)CCO1 ZINC000415070803 386552265 /nfs/dbraw/zinc/55/22/65/386552265.db2.gz RFUZDIWDIZQTDR-UONOGXRCSA-N 1 3 240.391 1.922 20 0 BDADHO CN1CCC([NH2+][C@H](CN)C2CCCC2)CC1 ZINC000415070852 386557336 /nfs/dbraw/zinc/55/73/36/386557336.db2.gz VRDPNMUBSIGKLZ-CYBMUJFWSA-N 1 3 225.380 1.188 20 0 BDADHO CC[C@H]1CN(CCCCCOC)CC[C@@H]1[NH3+] ZINC000647936819 386557593 /nfs/dbraw/zinc/55/75/93/386557593.db2.gz LUBLWSUXTWUTMC-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO COCCC[N@H+](C)C[C@@H](N)CC(C)C ZINC000062036289 386564684 /nfs/dbraw/zinc/56/46/84/386564684.db2.gz SWOSDBHXGHLPQI-NSHDSACASA-N 1 3 202.342 1.328 20 0 BDADHO COCCC[N@@H+](C)C[C@@H](N)CC(C)C ZINC000062036289 386564687 /nfs/dbraw/zinc/56/46/87/386564687.db2.gz SWOSDBHXGHLPQI-NSHDSACASA-N 1 3 202.342 1.328 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000415074624 386567498 /nfs/dbraw/zinc/56/74/98/386567498.db2.gz DAOICYHHHPPGAF-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO CC[C@H]1CC[C@H](C)[N@@H+]1CCN1CCNCC1 ZINC000136184927 386568305 /nfs/dbraw/zinc/56/83/05/386568305.db2.gz AMILAOBJIQSWRT-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@H]1CC[C@H](C)[N@H+]1CCN1CCNCC1 ZINC000136184927 386568308 /nfs/dbraw/zinc/56/83/08/386568308.db2.gz AMILAOBJIQSWRT-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@@H]1CCC[C@H](CN(C)C[C@@H](O)C[NH3+])C1 ZINC000415073865 386571193 /nfs/dbraw/zinc/57/11/93/386571193.db2.gz YZGYODJPVZMNFR-AGIUHOORSA-N 1 3 228.380 1.454 20 0 BDADHO CC[C@@H]1CCC[C@@H](CN(C)C[C@H](O)C[NH3+])C1 ZINC000415073868 386572304 /nfs/dbraw/zinc/57/23/04/386572304.db2.gz YZGYODJPVZMNFR-JHJVBQTASA-N 1 3 228.380 1.454 20 0 BDADHO C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCNC1 ZINC000415103713 386624555 /nfs/dbraw/zinc/62/45/55/386624555.db2.gz CWLSWCRAZPMCMP-RNJOBUHISA-N 1 3 208.349 1.764 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC1)C1CCSCC1 ZINC000335498707 386626178 /nfs/dbraw/zinc/62/61/78/386626178.db2.gz UFAQLSKSNDYUNW-ONGXEEELSA-N 1 3 214.378 1.470 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CCCSC1 ZINC000414810416 386631107 /nfs/dbraw/zinc/63/11/07/386631107.db2.gz NWAGVRGZJBSEQZ-JTQLQIEISA-N 1 3 216.394 1.989 20 0 BDADHO CCN(CC)[C@@H](C)C[NH2+]C1CCN(C)CC1 ZINC000336782614 386648881 /nfs/dbraw/zinc/64/88/81/386648881.db2.gz YFOIEGBVEGVNMS-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO C[C@H](C[NH3+])N[C@H](C)Cc1ccccc1F ZINC000414925664 386649188 /nfs/dbraw/zinc/64/91/88/386649188.db2.gz IYFHXFVVECQTHX-NXEZZACHSA-N 1 3 210.296 1.694 20 0 BDADHO COC[C@H](CC(C)C)N[C@H](C[NH3+])C1CC1 ZINC000414805705 386607213 /nfs/dbraw/zinc/60/72/13/386607213.db2.gz MKLXDWBAKVTFQP-NWDGAFQWSA-N 1 3 214.353 1.374 20 0 BDADHO COC(=O)C1(CN[C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415108900 386617499 /nfs/dbraw/zinc/61/74/99/386617499.db2.gz QVMYYOFKQKJCCW-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO CC(C)(C[NH3+])C(=O)Nc1ccc2c(c1)CNC2 ZINC000335496601 386618820 /nfs/dbraw/zinc/61/88/20/386618820.db2.gz RHNXABLXZOWRBL-UHFFFAOYSA-N 1 3 233.315 1.213 20 0 BDADHO CC[C@H](COC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414825783 386691048 /nfs/dbraw/zinc/69/10/48/386691048.db2.gz HQZMGEQBDFJJSE-YIBTVLSRSA-N 1 3 212.337 1.284 20 0 BDADHO [NH3+]CCOCCN1CCC[C@@H]1c1cccs1 ZINC000357022163 386693054 /nfs/dbraw/zinc/69/30/54/386693054.db2.gz BDYDPROVVORJBG-LLVKDONJSA-N 1 3 240.372 1.860 20 0 BDADHO C[N@H+](CCCN1CCCC1)CCC(C)(C)O ZINC000337281728 386698322 /nfs/dbraw/zinc/69/83/22/386698322.db2.gz WPLVSPTVNZEYPU-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO C[N@@H+](CCCN1CCCC1)CCC(C)(C)O ZINC000337281728 386698326 /nfs/dbraw/zinc/69/83/26/386698326.db2.gz WPLVSPTVNZEYPU-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2)CCO1 ZINC000414837131 386734030 /nfs/dbraw/zinc/73/40/30/386734030.db2.gz VPBDKWHBEDBUSO-RDBSUJKOSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)CNC)CCO1 ZINC000414838688 386738709 /nfs/dbraw/zinc/73/87/09/386738709.db2.gz LKTKBEOUWTZZEJ-RWMBFGLXSA-N 1 3 228.380 1.637 20 0 BDADHO c1cnn([C@H]2CCCC[C@@H]2[NH2+]C2CCNCC2)c1 ZINC000335541661 386722576 /nfs/dbraw/zinc/72/25/76/386722576.db2.gz DRHMKCWRGCAQIP-KBPBESRZSA-N 1 3 248.374 1.708 20 0 BDADHO c1cnn([C@H]2CCCC[C@@H]2NC2CC[NH2+]CC2)c1 ZINC000335541661 386722579 /nfs/dbraw/zinc/72/25/79/386722579.db2.gz DRHMKCWRGCAQIP-KBPBESRZSA-N 1 3 248.374 1.708 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623088025 386723827 /nfs/dbraw/zinc/72/38/27/386723827.db2.gz SRWVRRTYSCMECQ-ZIAGYGMSSA-N 1 3 241.423 1.648 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1CCCSC1 ZINC000414840813 386752555 /nfs/dbraw/zinc/75/25/55/386752555.db2.gz NMNPIMOBNFTWSD-VHSXEESVSA-N 1 3 202.367 1.327 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000414840813 386752560 /nfs/dbraw/zinc/75/25/60/386752560.db2.gz NMNPIMOBNFTWSD-VHSXEESVSA-N 1 3 202.367 1.327 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192131069 386744147 /nfs/dbraw/zinc/74/41/47/386744147.db2.gz AESSWNBOJIOKEP-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417807675 386788218 /nfs/dbraw/zinc/78/82/18/386788218.db2.gz DKEVYELKDKVORP-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO CNC[C@H](C)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414846180 386810896 /nfs/dbraw/zinc/81/08/96/386810896.db2.gz UGKZFXZEOXANAR-OLZOCXBDSA-N 1 3 242.407 1.884 20 0 BDADHO Cc1ccc(CCCN[C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414935870 386827381 /nfs/dbraw/zinc/82/73/81/386827381.db2.gz UTIKIPYWKOLSDX-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO CC(C)[C@@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516879 386837209 /nfs/dbraw/zinc/83/72/09/386837209.db2.gz JZCFXZIJIQESCD-MELADBBJSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000357851194 386856971 /nfs/dbraw/zinc/85/69/71/386856971.db2.gz NNSXPMXQPHVHAV-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1OCC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357851194 386856976 /nfs/dbraw/zinc/85/69/76/386856976.db2.gz NNSXPMXQPHVHAV-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@]1(CN[C@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000414940102 386877877 /nfs/dbraw/zinc/87/78/77/386877877.db2.gz HBCCTIZHRZNGMO-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331870913 386919626 /nfs/dbraw/zinc/91/96/26/386919626.db2.gz BFVIWKSHRCQTFD-UTUOFQBUSA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265395 386923684 /nfs/dbraw/zinc/92/36/84/386923684.db2.gz ZUZLJGGHBAKSTJ-LSDHHAIUSA-N 1 3 248.370 1.794 20 0 BDADHO CC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265395 386923689 /nfs/dbraw/zinc/92/36/89/386923689.db2.gz ZUZLJGGHBAKSTJ-LSDHHAIUSA-N 1 3 248.370 1.794 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331956050 386931336 /nfs/dbraw/zinc/93/13/36/386931336.db2.gz JTRKXFCBQDCIAT-GARJFASQSA-N 1 3 200.326 1.007 20 0 BDADHO CC1(C)CC[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000334873779 386935205 /nfs/dbraw/zinc/93/52/05/386935205.db2.gz JGXTUPOWYAWAMI-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO CCN(CC)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395167288 386953997 /nfs/dbraw/zinc/95/39/97/386953997.db2.gz UUUSMQXHVWSAOB-STQMWFEESA-N 1 3 227.396 1.448 20 0 BDADHO Cc1ccc(O)c(CN2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000216070467 387030949 /nfs/dbraw/zinc/03/09/49/387030949.db2.gz PZIYGENJNIOVTP-QWRGUYRKSA-N 1 3 235.331 1.265 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000417413851 387054040 /nfs/dbraw/zinc/05/40/40/387054040.db2.gz XWCFIZHVCSNZSW-NDBYEHHHSA-N 1 3 224.348 1.116 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000417413851 387054043 /nfs/dbraw/zinc/05/40/43/387054043.db2.gz XWCFIZHVCSNZSW-NDBYEHHHSA-N 1 3 224.348 1.116 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000333281898 387025365 /nfs/dbraw/zinc/02/53/65/387025365.db2.gz MQHGKIRLNAYKIN-WCFLWFBJSA-N 1 3 248.374 1.374 20 0 BDADHO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CCCCN1 ZINC000333344072 387028874 /nfs/dbraw/zinc/02/88/74/387028874.db2.gz YTPWISBWASLALW-WCFLWFBJSA-N 1 3 248.374 1.387 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000111380886 387077706 /nfs/dbraw/zinc/07/77/06/387077706.db2.gz ONRBDRUNBOBSPW-CQSZACIVSA-N 1 3 233.359 1.827 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000111380886 387077708 /nfs/dbraw/zinc/07/77/08/387077708.db2.gz ONRBDRUNBOBSPW-CQSZACIVSA-N 1 3 233.359 1.827 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000228323494 387080388 /nfs/dbraw/zinc/08/03/88/387080388.db2.gz FJHAHZZJRYMPKO-IRCOFANPSA-N 1 3 246.420 1.206 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000228323494 387080392 /nfs/dbraw/zinc/08/03/92/387080392.db2.gz FJHAHZZJRYMPKO-IRCOFANPSA-N 1 3 246.420 1.206 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2cccnc2)C1 ZINC000111695586 387085174 /nfs/dbraw/zinc/08/51/74/387085174.db2.gz RXVCTGGENBYTOL-OCCSQVGLSA-N 1 3 233.359 1.683 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000423298875 387130161 /nfs/dbraw/zinc/13/01/61/387130161.db2.gz PBLZOVWFHYUUPX-BFHYXJOUSA-N 1 3 241.423 1.824 20 0 BDADHO c1ccc(C[C@H]([NH2+]CC2CNC2)C2CC2)cc1 ZINC000423308366 387143663 /nfs/dbraw/zinc/14/36/63/387143663.db2.gz XPUICCNBLXQUSR-HNNXBMFYSA-N 1 3 230.355 1.817 20 0 BDADHO c1ccc(C[C@H](NCC2C[NH2+]C2)C2CC2)cc1 ZINC000423308366 387143668 /nfs/dbraw/zinc/14/36/68/387143668.db2.gz XPUICCNBLXQUSR-HNNXBMFYSA-N 1 3 230.355 1.817 20 0 BDADHO CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250382444 387156754 /nfs/dbraw/zinc/15/67/54/387156754.db2.gz IXRYQUSXQHHMJW-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCOCC1 ZINC000423319153 387159730 /nfs/dbraw/zinc/15/97/30/387159730.db2.gz CZZGIUSUKUAQTO-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C12CCC2 ZINC000423318173 387159900 /nfs/dbraw/zinc/15/99/00/387159900.db2.gz CTYOPRYSXAKACQ-OUAUKWLOSA-N 1 3 212.337 1.271 20 0 BDADHO CCN1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320054 387160757 /nfs/dbraw/zinc/16/07/57/387160757.db2.gz FAGOLIYDXYXDOG-IHRRRGAJSA-N 1 3 239.407 1.306 20 0 BDADHO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)CN ZINC000423320887 387162273 /nfs/dbraw/zinc/16/22/73/387162273.db2.gz GYRHOIVIRQVHOR-PRHODGIISA-N 1 3 238.306 1.758 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2(N)CCC2)CN1C1CC1 ZINC000423321344 387165688 /nfs/dbraw/zinc/16/56/88/387165688.db2.gz HISYTJULTXJXFS-QWRGUYRKSA-N 1 3 223.364 1.083 20 0 BDADHO C[C@H]1C[C@H](NCC2([NH3+])CCC2)CN1C1CC1 ZINC000423321344 387165689 /nfs/dbraw/zinc/16/56/89/387165689.db2.gz HISYTJULTXJXFS-QWRGUYRKSA-N 1 3 223.364 1.083 20 0 BDADHO FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CNC1 ZINC000423333942 387180848 /nfs/dbraw/zinc/18/08/48/387180848.db2.gz WKZIMHMATFUWDN-RYUDHWBXSA-N 1 3 214.328 1.714 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000300275479 387185777 /nfs/dbraw/zinc/18/57/77/387185777.db2.gz OWIFFZGPMKJYDD-RWMBFGLXSA-N 1 3 242.407 1.891 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000300275478 387186094 /nfs/dbraw/zinc/18/60/94/387186094.db2.gz OWIFFZGPMKJYDD-AVGNSLFASA-N 1 3 242.407 1.891 20 0 BDADHO COC[C@H](NCC1([NH3+])CCC1)C1CCCC1 ZINC000423338329 387187595 /nfs/dbraw/zinc/18/75/95/387187595.db2.gz WBSGRYLIYSWEBZ-LBPRGKRZSA-N 1 3 226.364 1.663 20 0 BDADHO CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371302001 387189216 /nfs/dbraw/zinc/18/92/16/387189216.db2.gz XGVPZUJKJLHMQC-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2c(O)cccc21 ZINC000423304127 387138005 /nfs/dbraw/zinc/13/80/05/387138005.db2.gz JYUJLQLZYLVVOC-GWCFXTLKSA-N 1 3 234.343 1.954 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2C[NH2+]C2)C12CCC2 ZINC000423303616 387138138 /nfs/dbraw/zinc/13/81/38/387138138.db2.gz MCIIPDGOEIUZDO-NEPJUHHUSA-N 1 3 224.348 1.143 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CC2CNC2)C12CCC2 ZINC000423303616 387138142 /nfs/dbraw/zinc/13/81/42/387138142.db2.gz MCIIPDGOEIUZDO-NEPJUHHUSA-N 1 3 224.348 1.143 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364470 387216095 /nfs/dbraw/zinc/21/60/95/387216095.db2.gz OOTBVGFHSJWPNB-FVCCEPFGSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365928 387217679 /nfs/dbraw/zinc/21/76/79/387217679.db2.gz CFFKMOJDJLFMHK-FMCLSXCISA-N 1 3 237.391 1.199 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C12CCCC2 ZINC000423368588 387222103 /nfs/dbraw/zinc/22/21/03/387222103.db2.gz NJLTZGNLRMHOSQ-TUAOUCFPSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCO1 ZINC000423370422 387223676 /nfs/dbraw/zinc/22/36/76/387223676.db2.gz DEOYSYIDAHYXJM-WRWGMCAJSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1CCCO1 ZINC000423370422 387223679 /nfs/dbraw/zinc/22/36/79/387223679.db2.gz DEOYSYIDAHYXJM-WRWGMCAJSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCO1 ZINC000423370420 387224452 /nfs/dbraw/zinc/22/44/52/387224452.db2.gz DEOYSYIDAHYXJM-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@@H]1CCCO1 ZINC000423370420 387224459 /nfs/dbraw/zinc/22/44/59/387224459.db2.gz DEOYSYIDAHYXJM-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400867 387234842 /nfs/dbraw/zinc/23/48/42/387234842.db2.gz QKXDZTYNQIFCDV-XWUBHJNHSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CCN1 ZINC000572112105 387237143 /nfs/dbraw/zinc/23/71/43/387237143.db2.gz DWMWQSQQXSXVOD-SKDRFNHKSA-N 1 3 208.349 1.905 20 0 BDADHO COC[C@@]1(C[NH2+]C2CC(C(C)C)C2)CCCN1 ZINC000423416524 387248526 /nfs/dbraw/zinc/24/85/26/387248526.db2.gz QVXYVQZAMLGVTD-RUXDESIVSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)[C@@H]1C[C@@H]1C ZINC000423415824 387249043 /nfs/dbraw/zinc/24/90/43/387249043.db2.gz PMPUPTOYFXXADI-CRWXNKLISA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1C ZINC000423427579 387252093 /nfs/dbraw/zinc/25/20/93/387252093.db2.gz FZGFKEDRCIJJFZ-WCFLWFBJSA-N 1 3 248.374 1.459 20 0 BDADHO Cc1cncc([C@@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423345213 387194245 /nfs/dbraw/zinc/19/42/45/387194245.db2.gz NTOXKDMMOOBWPB-GFCCVEGCSA-N 1 3 231.343 1.960 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CNCCC2(F)F)CC[N@@H+]1C ZINC000423467221 387315688 /nfs/dbraw/zinc/31/56/88/387315688.db2.gz DIGOQQMMMBLXTR-MXWKQRLJSA-N 1 3 247.333 1.056 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CNCCC2(F)F)CC[N@H+]1C ZINC000423467221 387315694 /nfs/dbraw/zinc/31/56/94/387315694.db2.gz DIGOQQMMMBLXTR-MXWKQRLJSA-N 1 3 247.333 1.056 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@@H](N)CC(C)C)CC[C@@H]1C ZINC000230310901 387259237 /nfs/dbraw/zinc/25/92/37/387259237.db2.gz XEHDDTCYRCLPHF-RWMBFGLXSA-N 1 3 228.380 1.717 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@@H](N)CC(C)C)CC[C@@H]1C ZINC000230310901 387259240 /nfs/dbraw/zinc/25/92/40/387259240.db2.gz XEHDDTCYRCLPHF-RWMBFGLXSA-N 1 3 228.380 1.717 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1CCOCC1CC1 ZINC000352494771 387262669 /nfs/dbraw/zinc/26/26/69/387262669.db2.gz FOUJJUBAVYMRFI-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO CCN[C@H](C)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423382992 387266586 /nfs/dbraw/zinc/26/65/86/387266586.db2.gz OYQTUDXEVCHOKH-TZMCWYRMSA-N 1 3 248.370 1.968 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](CC)[C@@H]1CCOC1 ZINC000423393601 387278784 /nfs/dbraw/zinc/27/87/84/387278784.db2.gz YYVCWDJUGYICBW-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@@H](C)[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000360430817 387281578 /nfs/dbraw/zinc/28/15/78/387281578.db2.gz YMRRRQJTWVKSAK-RYUDHWBXSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000423433658 387284664 /nfs/dbraw/zinc/28/46/64/387284664.db2.gz NHZYYBDISAQYLL-VHRBIJSZSA-N 1 3 248.374 1.459 20 0 BDADHO c1ccc(C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423433019 387284793 /nfs/dbraw/zinc/28/47/93/387284793.db2.gz MSGDFTJNJMDFMQ-XUWVNRHRSA-N 1 3 242.366 1.815 20 0 BDADHO CCNCCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643499210 387286017 /nfs/dbraw/zinc/28/60/17/387286017.db2.gz INPOATKGRRDMDO-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO CC[NH2+]CCCN[C@H]1CCC[C@H](OC)C1 ZINC000643499210 387286020 /nfs/dbraw/zinc/28/60/20/387286020.db2.gz INPOATKGRRDMDO-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO COC[C@@]1(CN[C@@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439091 387288498 /nfs/dbraw/zinc/28/84/98/387288498.db2.gz VEXFYDRLDBOVJD-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO CCC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423438046 387288859 /nfs/dbraw/zinc/28/88/59/387288859.db2.gz UWGNRTXQANMGDI-QNWHQSFQSA-N 1 3 208.349 1.763 20 0 BDADHO C1CC([C@@H]2CC[C@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423441411 387290043 /nfs/dbraw/zinc/29/00/43/387290043.db2.gz YNDCKTUWZDAIST-KIJLLGNVSA-N 1 3 206.333 1.373 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423442243 387293282 /nfs/dbraw/zinc/29/32/82/387293282.db2.gz JSFPJCWXXQVSAN-MXWKQRLJSA-N 1 3 222.332 1.565 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H](CCO)c2ccccc2)C1 ZINC000514799062 387295697 /nfs/dbraw/zinc/29/56/97/387295697.db2.gz SQWYXVUCEQXAFL-QLFBSQMISA-N 1 3 248.370 1.970 20 0 BDADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ccc(F)cn1 ZINC000423450029 387300007 /nfs/dbraw/zinc/30/00/07/387300007.db2.gz HBTSKXBBYCFFOL-ZJUUUORDSA-N 1 3 225.311 1.999 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[NH2+]C(C)C ZINC000514930517 387308242 /nfs/dbraw/zinc/30/82/42/387308242.db2.gz MYILGEFBWFGTNO-GHMZBOCLSA-N 1 3 202.342 1.388 20 0 BDADHO CC[C@@H]([NH2+]CCCNC1CC1)[C@@H]1CCOC1 ZINC000423528004 387355143 /nfs/dbraw/zinc/35/51/43/387355143.db2.gz NHFYFNZTDGJXCB-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH2+]CCN(C)C(=O)c1ccccc1CN(C)C ZINC000423528422 387357913 /nfs/dbraw/zinc/35/79/13/387357913.db2.gz WMVIQBXNOOHZLE-UHFFFAOYSA-N 1 3 249.358 1.040 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H](CN)C2CCCC2)CCN1C ZINC000423532936 387358017 /nfs/dbraw/zinc/35/80/17/387358017.db2.gz SDNCKAHMPLRZGQ-MRVWCRGKSA-N 1 3 239.407 1.576 20 0 BDADHO CC[C@H]1CCC[N@H+](C[C@](C)(O)CNC)CC1 ZINC000515305618 387360835 /nfs/dbraw/zinc/36/08/35/387360835.db2.gz CEBUMBFIBUJULP-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@H]1CCC[N@@H+](C[C@](C)(O)CNC)CC1 ZINC000515305618 387360838 /nfs/dbraw/zinc/36/08/38/387360838.db2.gz CEBUMBFIBUJULP-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@H]1CCCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000515305618 387360839 /nfs/dbraw/zinc/36/08/39/387360839.db2.gz CEBUMBFIBUJULP-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000423549168 387370343 /nfs/dbraw/zinc/37/03/43/387370343.db2.gz HMRSLQAHAVHUQQ-KGYLQXTDSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CN1C1CC1 ZINC000423553662 387373146 /nfs/dbraw/zinc/37/31/46/387373146.db2.gz KQNYHZJUQCXYLN-FRRDWIJNSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H]1COCC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423568586 387380960 /nfs/dbraw/zinc/38/09/60/387380960.db2.gz VPTRFWIYWYLVLH-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C[C@H]2C)C[C@@]1(C)CN ZINC000423516342 387351092 /nfs/dbraw/zinc/35/10/92/387351092.db2.gz WPEGXRKVEWMARA-AAVRWANBSA-N 1 3 239.407 1.243 20 0 BDADHO C[C@@H]1C[N@H+]([C@@H]2CCN(C)C[C@H]2C)C[C@@]1(C)CN ZINC000423516342 387351094 /nfs/dbraw/zinc/35/10/94/387351094.db2.gz WPEGXRKVEWMARA-AAVRWANBSA-N 1 3 239.407 1.243 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@H]1O ZINC000352699401 387443499 /nfs/dbraw/zinc/44/34/99/387443499.db2.gz QRINWZYJSIESRI-FRRDWIJNSA-N 1 3 226.364 1.316 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@H]1O ZINC000352699401 387443502 /nfs/dbraw/zinc/44/35/02/387443502.db2.gz QRINWZYJSIESRI-FRRDWIJNSA-N 1 3 226.364 1.316 20 0 BDADHO CC(C)CCOCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000122322991 387514414 /nfs/dbraw/zinc/51/44/14/387514414.db2.gz XEZYKXFAZSAPEV-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000305053679 387541726 /nfs/dbraw/zinc/54/17/26/387541726.db2.gz BEXFTHOUUPWJPM-GFCCVEGCSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305053679 387541729 /nfs/dbraw/zinc/54/17/29/387541729.db2.gz BEXFTHOUUPWJPM-GFCCVEGCSA-N 1 3 240.391 1.754 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470983 387478076 /nfs/dbraw/zinc/47/80/76/387478076.db2.gz DIRPBVWDSLQMJO-FQUUOJAGSA-N 1 3 240.391 1.645 20 0 BDADHO CO[C@@H]1CCC[C@H](NCC[NH2+]C2CC2)C1 ZINC000643507648 387479918 /nfs/dbraw/zinc/47/99/18/387479918.db2.gz LOKOKGHYACVENW-NWDGAFQWSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000422541999 387596446 /nfs/dbraw/zinc/59/64/46/387596446.db2.gz PFTARSCFOBSEEZ-ZANVPECISA-N 1 3 247.342 1.772 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN)C1 ZINC000643514786 387599803 /nfs/dbraw/zinc/59/98/03/387599803.db2.gz DQFZNYSBLZVRQO-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCOCC2CC2)C[C@H]1C[NH3+] ZINC000422635894 387610074 /nfs/dbraw/zinc/61/00/74/387610074.db2.gz LZXJLNXFNIIXIB-YRGRVCCFSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H](CCc1ccco1)NCC1C[NH2+]C1 ZINC000643516022 387618833 /nfs/dbraw/zinc/61/88/33/387618833.db2.gz NHAYCKSMWYWGAL-SNVBAGLBSA-N 1 3 208.305 1.410 20 0 BDADHO C[C@H](CCc1ccco1)[NH2+]CC1CNC1 ZINC000643516022 387618840 /nfs/dbraw/zinc/61/88/40/387618840.db2.gz NHAYCKSMWYWGAL-SNVBAGLBSA-N 1 3 208.305 1.410 20 0 BDADHO CCCCN(C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422707203 387620635 /nfs/dbraw/zinc/62/06/35/387620635.db2.gz GSTHYIVRRXRSJG-KGLIPLIRSA-N 1 3 241.423 1.696 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CCOCC2CC2)C1 ZINC000430537811 387625213 /nfs/dbraw/zinc/62/52/13/387625213.db2.gz HXSOEDTZCCEANX-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CCCCN(C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422711396 387626128 /nfs/dbraw/zinc/62/61/28/387626128.db2.gz NBAPKSXJPDGYKY-OLZOCXBDSA-N 1 3 227.396 1.448 20 0 BDADHO CN(CCN[C@@](C)(C[NH3+])C1CC1)c1ccccc1 ZINC000430548001 387627341 /nfs/dbraw/zinc/62/73/41/387627341.db2.gz LUTZYNJUBXYTGF-HNNXBMFYSA-N 1 3 247.386 1.840 20 0 BDADHO CC[C@H](N)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000036871242 387558396 /nfs/dbraw/zinc/55/83/96/387558396.db2.gz RLWUQXMGIZWQBP-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305146254 387563729 /nfs/dbraw/zinc/56/37/29/387563729.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305146254 387563732 /nfs/dbraw/zinc/56/37/32/387563732.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC(C)(C)O ZINC000305146254 387563736 /nfs/dbraw/zinc/56/37/36/387563736.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC(C)(C)O ZINC000305146254 387563739 /nfs/dbraw/zinc/56/37/39/387563739.db2.gz YGPKOPFHJJHPTM-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(N(C)C)c1 ZINC000422721156 387633663 /nfs/dbraw/zinc/63/36/63/387633663.db2.gz UTFNKXSCDTVPAD-RYUDHWBXSA-N 1 3 235.375 1.968 20 0 BDADHO CN(C)c1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422721620 387634349 /nfs/dbraw/zinc/63/43/49/387634349.db2.gz VVCFBPMYIRYRKJ-KBPBESRZSA-N 1 3 233.359 1.722 20 0 BDADHO CCCCOCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000422729549 387637587 /nfs/dbraw/zinc/63/75/87/387637587.db2.gz KWRQGXLSRQXWND-VXGBXAGGSA-N 1 3 216.369 1.909 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422728415 387638071 /nfs/dbraw/zinc/63/80/71/387638071.db2.gz GHLOEUQKDSDJNK-IJLUTSLNSA-N 1 3 214.353 1.374 20 0 BDADHO C[C@H](NCCc1ccc2c(c1)CCO2)C1C[NH2+]C1 ZINC000422733737 387640090 /nfs/dbraw/zinc/64/00/90/387640090.db2.gz RKZISDGZKRUWGR-NSHDSACASA-N 1 3 246.354 1.362 20 0 BDADHO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)C1CNC1 ZINC000422733737 387640094 /nfs/dbraw/zinc/64/00/94/387640094.db2.gz RKZISDGZKRUWGR-NSHDSACASA-N 1 3 246.354 1.362 20 0 BDADHO CC(C)CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422733504 387640931 /nfs/dbraw/zinc/64/09/31/387640931.db2.gz QWXZRDBHEMBSDI-MGPQQGTHSA-N 1 3 240.391 1.779 20 0 BDADHO COc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422736408 387643462 /nfs/dbraw/zinc/64/34/62/387643462.db2.gz WCKAGILGUGIYIM-RYUDHWBXSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cc1 ZINC000422736408 387643467 /nfs/dbraw/zinc/64/34/67/387643467.db2.gz WCKAGILGUGIYIM-RYUDHWBXSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422736405 387643904 /nfs/dbraw/zinc/64/39/04/387643904.db2.gz WCKAGILGUGIYIM-NEPJUHHUSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cc1 ZINC000422736405 387643908 /nfs/dbraw/zinc/64/39/08/387643908.db2.gz WCKAGILGUGIYIM-NEPJUHHUSA-N 1 3 236.359 1.953 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000422741495 387647735 /nfs/dbraw/zinc/64/77/35/387647735.db2.gz ONNBQKKKQUOKAJ-BZPMIXESSA-N 1 3 239.407 1.589 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422744864 387647969 /nfs/dbraw/zinc/64/79/69/387647969.db2.gz KYLVGYQWAXSRGO-QWHCGFSZSA-N 1 3 227.396 1.578 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000422746146 387649959 /nfs/dbraw/zinc/64/99/59/387649959.db2.gz VZYODZUUPXZBKQ-YRGRVCCFSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(CO)c1 ZINC000422747808 387650690 /nfs/dbraw/zinc/65/06/90/387650690.db2.gz ZLPLMWVSFKFEHA-WFASDCNBSA-N 1 3 248.370 1.657 20 0 BDADHO C[C@@H](CCCCO)[NH2+]C[C@]1(C)CCCNC1 ZINC000643518695 387652529 /nfs/dbraw/zinc/65/25/29/387652529.db2.gz LZNPGWZXVDIFCG-QWHCGFSZSA-N 1 3 228.380 1.517 20 0 BDADHO CC[C@H](N)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000430887388 387659060 /nfs/dbraw/zinc/65/90/60/387659060.db2.gz FQMTYTKTCGXEMK-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H]1CN(CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430918482 387661134 /nfs/dbraw/zinc/66/11/34/387661134.db2.gz NEJRHVROUONIPJ-HIFRSBDPSA-N 1 3 247.386 1.792 20 0 BDADHO CCN1CCC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422764125 387664687 /nfs/dbraw/zinc/66/46/87/387664687.db2.gz UOBKQQRAOVDZPV-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO CN(CCCN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422763480 387665588 /nfs/dbraw/zinc/66/55/88/387665588.db2.gz OSLAWVLVMDYTTL-GJZGRUSLSA-N 1 3 247.386 1.982 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)CC(C)(C)C ZINC000422766624 387667361 /nfs/dbraw/zinc/66/73/61/387667361.db2.gz SAKJUFDZGRJVDL-FRRDWIJNSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000422766624 387667365 /nfs/dbraw/zinc/66/73/65/387667365.db2.gz SAKJUFDZGRJVDL-FRRDWIJNSA-N 1 3 242.407 1.761 20 0 BDADHO CN(CC[NH2+][C@@H]1CCC[C@@H]1N)Cc1ccccc1 ZINC000422767329 387667606 /nfs/dbraw/zinc/66/76/06/387667606.db2.gz RXOSYKAKWXWRMD-LSDHHAIUSA-N 1 3 247.386 1.588 20 0 BDADHO CN(CCN[C@@H]1CCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000422767329 387667610 /nfs/dbraw/zinc/66/76/10/387667610.db2.gz RXOSYKAKWXWRMD-LSDHHAIUSA-N 1 3 247.386 1.588 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400757579 387668243 /nfs/dbraw/zinc/66/82/43/387668243.db2.gz XLQNYODLPBOUSB-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO CCN1CCC([NH2+][C@H](C)c2cnccc2N)CC1 ZINC000422768841 387668631 /nfs/dbraw/zinc/66/86/31/387668631.db2.gz OEOUDMNXFRMQJG-LLVKDONJSA-N 1 3 248.374 1.629 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780026 387677180 /nfs/dbraw/zinc/67/71/80/387677180.db2.gz JQUWIKLDBGNAIU-WCFLWFBJSA-N 1 3 238.375 1.532 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CNC2)C12CCC2 ZINC000422780026 387677185 /nfs/dbraw/zinc/67/71/85/387677185.db2.gz JQUWIKLDBGNAIU-WCFLWFBJSA-N 1 3 238.375 1.532 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000422782855 387680192 /nfs/dbraw/zinc/68/01/92/387680192.db2.gz NLNMAKKDKXKYQW-FVCCEPFGSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000422781063 387680497 /nfs/dbraw/zinc/68/04/97/387680497.db2.gz KDEIHARKUHFWGZ-YFKTTZPYSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[C@@H]1O ZINC000422781063 387680499 /nfs/dbraw/zinc/68/04/99/387680499.db2.gz KDEIHARKUHFWGZ-YFKTTZPYSA-N 1 3 214.353 1.253 20 0 BDADHO COCCOCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422784108 387684663 /nfs/dbraw/zinc/68/46/63/387684663.db2.gz LVSBYRFHSCOLOL-QWHCGFSZSA-N 1 3 244.379 1.017 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742841 387691159 /nfs/dbraw/zinc/69/11/59/387691159.db2.gz QTNLCCUISWUGEA-OLZOCXBDSA-N 1 3 220.316 1.148 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCOC1 ZINC000356902899 387743375 /nfs/dbraw/zinc/74/33/75/387743375.db2.gz RVJJALCLYXCDIZ-GXTWGEPZSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCC[C@@H](C)C1 ZINC000422862918 387743887 /nfs/dbraw/zinc/74/38/87/387743887.db2.gz OFAPJCXSGMWNMR-YIYPIFLZSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)N1CCCC[C@H]1C ZINC000422860302 387744228 /nfs/dbraw/zinc/74/42/28/387744228.db2.gz LIWCHEHGOKFIAX-UPJWGTAASA-N 1 3 239.407 1.447 20 0 BDADHO C[C@@H]1CCCN(CCN[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422864851 387746756 /nfs/dbraw/zinc/74/67/56/387746756.db2.gz WMCXWQYLFNHDIO-RDBSUJKOSA-N 1 3 239.407 1.306 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CN1C1CC1 ZINC000422871873 387750929 /nfs/dbraw/zinc/75/09/29/387750929.db2.gz ZXQXANVCUAXFRP-UHXUPSOCSA-N 1 3 237.391 1.199 20 0 BDADHO CCN(CCN[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876907 387756452 /nfs/dbraw/zinc/75/64/52/387756452.db2.gz GRKZTBBYPVUQPH-GHMZBOCLSA-N 1 3 213.369 1.186 20 0 BDADHO CC[C@H](Cc1ccccc1)NC[C@H](C)[NH3+] ZINC000643525673 387752238 /nfs/dbraw/zinc/75/22/38/387752238.db2.gz AAHUQFDSSJVUCH-WCQYABFASA-N 1 3 206.333 1.945 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCS1 ZINC000422872845 387753081 /nfs/dbraw/zinc/75/30/81/387753081.db2.gz IVIJVLUYEPEJNU-OPRDCNLKSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1(CCO)CCCC1 ZINC000422802690 387702466 /nfs/dbraw/zinc/70/24/66/387702466.db2.gz BSGKIDMWPWDWQU-CHWSQXEVSA-N 1 3 240.391 1.517 20 0 BDADHO CCSCC[C@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422804912 387702723 /nfs/dbraw/zinc/70/27/23/387702723.db2.gz IIGPNNVGYGEJFZ-UWVGGRQHSA-N 1 3 216.394 1.716 20 0 BDADHO C(CN1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422806975 387704199 /nfs/dbraw/zinc/70/41/99/387704199.db2.gz JESFSVZGRLDSAC-PBWFPOADSA-N 1 3 237.391 1.345 20 0 BDADHO CC(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422806256 387704661 /nfs/dbraw/zinc/70/46/61/387704661.db2.gz NESQBVUSSQOWSI-FRRDWIJNSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCN1CCCCCC1 ZINC000422807821 387706230 /nfs/dbraw/zinc/70/62/30/387706230.db2.gz NHCGVDSWGNCSMT-UONOGXRCSA-N 1 3 239.407 1.450 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cn2ccccc2n1 ZINC000422816492 387713985 /nfs/dbraw/zinc/71/39/85/387713985.db2.gz FLKQPFTUKVKAEQ-STQMWFEESA-N 1 3 244.342 1.346 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422814785 387715128 /nfs/dbraw/zinc/71/51/28/387715128.db2.gz WBMPQYICCJVQIP-ZIAGYGMSSA-N 1 3 239.407 1.722 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CCCCC1 ZINC000422814785 387715132 /nfs/dbraw/zinc/71/51/32/387715132.db2.gz WBMPQYICCJVQIP-ZIAGYGMSSA-N 1 3 239.407 1.722 20 0 BDADHO CCC(CC)(CCO)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422814676 387715168 /nfs/dbraw/zinc/71/51/68/387715168.db2.gz VWLMGXNAVRDEHA-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000422818983 387717807 /nfs/dbraw/zinc/71/78/07/387717807.db2.gz LWLZCJYNEDKPHL-LPEHRKFASA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCSC1 ZINC000422818983 387717810 /nfs/dbraw/zinc/71/78/10/387717810.db2.gz LWLZCJYNEDKPHL-LPEHRKFASA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1cccnc1 ZINC000422830039 387723894 /nfs/dbraw/zinc/72/38/94/387723894.db2.gz QPJDILKVZPUTLE-JSGCOSHPSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000422830039 387723899 /nfs/dbraw/zinc/72/38/99/387723899.db2.gz QPJDILKVZPUTLE-JSGCOSHPSA-N 1 3 233.359 1.602 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422830294 387724487 /nfs/dbraw/zinc/72/44/87/387724487.db2.gz CKFKHSUWXSZXDK-STQMWFEESA-N 1 3 236.363 1.441 20 0 BDADHO Cc1nccn1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422830294 387724489 /nfs/dbraw/zinc/72/44/89/387724489.db2.gz CKFKHSUWXSZXDK-STQMWFEESA-N 1 3 236.363 1.441 20 0 BDADHO CC[C@H](NCCn1ccnc1C)[C@@H]1CCC[NH2+]1 ZINC000422842691 387731170 /nfs/dbraw/zinc/73/11/70/387731170.db2.gz YYQRNOVQMKVYGP-STQMWFEESA-N 1 3 236.363 1.312 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1(C)C ZINC000422849386 387734203 /nfs/dbraw/zinc/73/42/03/387734203.db2.gz LTTRTUCAXRRJHO-QNWHQSFQSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643526067 387756158 /nfs/dbraw/zinc/75/61/58/387756158.db2.gz OPHSHPHCKBJTJY-RYUDHWBXSA-N 1 3 244.342 1.870 20 0 BDADHO C[C@@H](N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000643527928 387763858 /nfs/dbraw/zinc/76/38/58/387763858.db2.gz VRVRVUVNEUDXDE-MFKMUULPSA-N 1 3 219.332 1.860 20 0 BDADHO C[C@@H](NCCN1[C@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892431 387764427 /nfs/dbraw/zinc/76/44/27/387764427.db2.gz YNYLHUIDMYPZCY-FRRDWIJNSA-N 1 3 239.407 1.447 20 0 BDADHO C[C@H](C[NH3+])CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000441615193 387772654 /nfs/dbraw/zinc/77/26/54/387772654.db2.gz SOBXYLNRSMSYIS-WZRBSPASSA-N 1 3 249.358 1.034 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919082 387775500 /nfs/dbraw/zinc/77/55/00/387775500.db2.gz JCVKUIVSMMOBGV-HBNTYKKESA-N 1 3 241.379 1.101 20 0 BDADHO C[C@H](N[C@H]1C[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921882 387777278 /nfs/dbraw/zinc/77/72/78/387777278.db2.gz PIYIVVFBJUFPBD-WHOFXGATSA-N 1 3 230.355 1.815 20 0 BDADHO C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)C1CNC1 ZINC000422921882 387777285 /nfs/dbraw/zinc/77/72/85/387777285.db2.gz PIYIVVFBJUFPBD-WHOFXGATSA-N 1 3 230.355 1.815 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000527975237 387813603 /nfs/dbraw/zinc/81/36/03/387813603.db2.gz SKACMEXZNXQANE-ITGHMWBKSA-N 1 3 240.391 1.872 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000527975237 387813605 /nfs/dbraw/zinc/81/36/05/387813605.db2.gz SKACMEXZNXQANE-ITGHMWBKSA-N 1 3 240.391 1.872 20 0 BDADHO CCCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422932515 387781249 /nfs/dbraw/zinc/78/12/49/387781249.db2.gz ZITDCBXMLWGBHF-RWMBFGLXSA-N 1 3 240.391 1.909 20 0 BDADHO COC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422937547 387782911 /nfs/dbraw/zinc/78/29/11/387782911.db2.gz OFHOFLWDWSTUIJ-YWVKMMECSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000422899669 387785649 /nfs/dbraw/zinc/78/56/49/387785649.db2.gz IBFQQMRIRLDDQN-NDBYEHHHSA-N 1 3 226.364 1.661 20 0 BDADHO C1=CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422993232 387800907 /nfs/dbraw/zinc/80/09/07/387800907.db2.gz RHIREJRFLPWGIY-ACJTYDJDSA-N 1 3 206.333 1.968 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994790 387803494 /nfs/dbraw/zinc/80/34/94/387803494.db2.gz WFKTWHRNJMUDAA-STQMWFEESA-N 1 3 240.391 1.517 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)CCO1 ZINC000422999335 387804935 /nfs/dbraw/zinc/80/49/35/387804935.db2.gz XSQVMBIGPQHPDI-REWJHTLYSA-N 1 3 240.391 1.779 20 0 BDADHO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000423001883 387807347 /nfs/dbraw/zinc/80/73/47/387807347.db2.gz ITJXQEKOMDPROM-ZIAGYGMSSA-N 1 3 234.343 1.973 20 0 BDADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442604247 387808719 /nfs/dbraw/zinc/80/87/19/387808719.db2.gz XKYPZUMCSWWSBS-WCQYABFASA-N 1 3 241.379 1.091 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442604245 387808763 /nfs/dbraw/zinc/80/87/63/387808763.db2.gz XKYPZUMCSWWSBS-AAEUAGOBSA-N 1 3 241.379 1.091 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422882528 387757405 /nfs/dbraw/zinc/75/74/05/387757405.db2.gz SMNSRPVSWGNUNQ-QWHCGFSZSA-N 1 3 227.396 1.304 20 0 BDADHO CCN(CCN[C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000422882463 387758024 /nfs/dbraw/zinc/75/80/24/387758024.db2.gz SIRKYMFUGKFYFP-DGCLKSJQSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887631 387761228 /nfs/dbraw/zinc/76/12/28/387761228.db2.gz LDBZJGHUGZUBTD-MEBFFEOJSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)[C@@H]1CCCN1 ZINC000422887631 387761232 /nfs/dbraw/zinc/76/12/32/387761232.db2.gz LDBZJGHUGZUBTD-MEBFFEOJSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH3+])CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000442667185 387820191 /nfs/dbraw/zinc/82/01/91/387820191.db2.gz VUUQCSVWFATPPV-GVXVVHGQSA-N 1 3 228.380 1.501 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000423003207 387827257 /nfs/dbraw/zinc/82/72/57/387827257.db2.gz LBNSGFVCELLGCS-AVGNSLFASA-N 1 3 242.407 1.747 20 0 BDADHO C[C@@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423004794 387827287 /nfs/dbraw/zinc/82/72/87/387827287.db2.gz KUICJFAACWYWHP-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCCN1 ZINC000423004075 387827404 /nfs/dbraw/zinc/82/74/04/387827404.db2.gz JCMPIHOPPVFZLQ-CYDGBPFRSA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])[n-]1 ZINC000423009142 387831508 /nfs/dbraw/zinc/83/15/08/387831508.db2.gz CHPFACCDWYEZSM-VHSXEESVSA-N 1 3 239.367 1.706 20 0 BDADHO CC(C)c1nnc([C@@H](C)N[C@@H](C)CCC[NH3+])[nH]1 ZINC000423009142 387831510 /nfs/dbraw/zinc/83/15/10/387831510.db2.gz CHPFACCDWYEZSM-VHSXEESVSA-N 1 3 239.367 1.706 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083696 387831668 /nfs/dbraw/zinc/83/16/68/387831668.db2.gz BWRJEAPMPKJTFG-AWEZNQCLSA-N 1 3 241.423 1.633 20 0 BDADHO CC(C)CSCCC[NH2+][C@H](C)C1CNC1 ZINC000423009008 387831746 /nfs/dbraw/zinc/83/17/46/387831746.db2.gz BNPCFRFKONBQJW-LLVKDONJSA-N 1 3 230.421 1.963 20 0 BDADHO CC(C)CSCCCN[C@H](C)C1C[NH2+]C1 ZINC000423009008 387831749 /nfs/dbraw/zinc/83/17/49/387831749.db2.gz BNPCFRFKONBQJW-LLVKDONJSA-N 1 3 230.421 1.963 20 0 BDADHO CCOCCC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423008036 387832078 /nfs/dbraw/zinc/83/20/78/387832078.db2.gz ZDZZRUGIUYWQBN-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CCOCCC1(CN[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000423008037 387832309 /nfs/dbraw/zinc/83/23/09/387832309.db2.gz ZDZZRUGIUYWQBN-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]([NH2+]CC12CCC(CC1)C2)C1CNC1 ZINC000423010536 387833192 /nfs/dbraw/zinc/83/31/92/387833192.db2.gz GTYYHTZTQQWMNB-XSRFYTQQSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@H](NC[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423010100 387833432 /nfs/dbraw/zinc/83/34/32/387833432.db2.gz WYYTUBNNADSIGZ-FQUUOJAGSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1cccc(N(C)C)n1 ZINC000423011297 387833570 /nfs/dbraw/zinc/83/35/70/387833570.db2.gz IORWHDCABAOKJI-NSHDSACASA-N 1 3 236.363 1.365 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018262 387840832 /nfs/dbraw/zinc/84/08/32/387840832.db2.gz QNSZNGZNKGFHDI-TUAOUCFPSA-N 1 3 228.380 1.499 20 0 BDADHO CC1(C)C[C@@H]1N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423027734 387844294 /nfs/dbraw/zinc/84/42/94/387844294.db2.gz POQFPFSOLGINEF-LOWDOPEQSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCO1 ZINC000423043941 387854786 /nfs/dbraw/zinc/85/47/86/387854786.db2.gz QEGSGEZCKZNPCH-SYCZCVCYSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H](CN1CCCCCC1)N[C@H]1CC[NH2+]C1 ZINC000423045095 387855826 /nfs/dbraw/zinc/85/58/26/387855826.db2.gz BKOQHUXERASUAI-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000423041157 387856105 /nfs/dbraw/zinc/85/61/05/387856105.db2.gz WGFMUNZZNLDVIH-DCAQKATOSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](CO)Cc1ccccc1 ZINC000423047504 387858339 /nfs/dbraw/zinc/85/83/39/387858339.db2.gz GGZRUESVYYMBOJ-SGMGOOAPSA-N 1 3 236.359 1.305 20 0 BDADHO Cc1ccccc1C[C@@H](CO)[NH2+]C1CCNCC1 ZINC000423055864 387862163 /nfs/dbraw/zinc/86/21/63/387862163.db2.gz DTHQBDNXLNDFHX-HNNXBMFYSA-N 1 3 248.370 1.240 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056107 387862288 /nfs/dbraw/zinc/86/22/88/387862288.db2.gz XCQUYNODEVGDER-HRDYMLBCSA-N 1 3 224.270 1.772 20 0 BDADHO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCNCC2)C1(C)C ZINC000423053977 387862819 /nfs/dbraw/zinc/86/28/19/387862819.db2.gz TZCVTJZCWPPDLH-QWHCGFSZSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NC2CC[NH2+]CC2)C1(C)C ZINC000423053977 387862825 /nfs/dbraw/zinc/86/28/25/387862825.db2.gz TZCVTJZCWPPDLH-QWHCGFSZSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@@H]1COc2ccc(F)cc21 ZINC000423054366 387863436 /nfs/dbraw/zinc/86/34/36/387863436.db2.gz UQBXIEIXGUZZOX-JOYOIKCWSA-N 1 3 238.306 1.976 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060346 387865156 /nfs/dbraw/zinc/86/51/56/387865156.db2.gz HVOLBTJFLHMPTI-RFQIPJPRSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CCCC(C)(C)C1 ZINC000423073288 387874589 /nfs/dbraw/zinc/87/45/89/387874589.db2.gz ILRJBRDONHMLGS-CHWSQXEVSA-N 1 3 241.423 1.824 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCC1(N(C)C)CCC1 ZINC000423063195 387867377 /nfs/dbraw/zinc/86/73/77/387867377.db2.gz VXVFOPFWRJGLMK-NWDGAFQWSA-N 1 3 225.380 1.058 20 0 BDADHO CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1N)c1ccco1 ZINC000422963078 387814218 /nfs/dbraw/zinc/81/42/18/387814218.db2.gz HJWWGNGABMDPEG-GRYCIOLGSA-N 1 3 237.347 1.352 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccccc1O ZINC000422967223 387816501 /nfs/dbraw/zinc/81/65/01/387816501.db2.gz BSSWQIHBADUVSM-OCCSQVGLSA-N 1 3 248.370 1.912 20 0 BDADHO C[C@@H](NC[C@@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085183 387877905 /nfs/dbraw/zinc/87/79/05/387877905.db2.gz JYAFECFJMMQXIN-YPMHNXCESA-N 1 3 239.407 1.304 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1N ZINC000423084027 387878049 /nfs/dbraw/zinc/87/80/49/387878049.db2.gz HABBINULQZYILW-GRYCIOLGSA-N 1 3 213.369 1.186 20 0 BDADHO CSC1(CN[C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423082981 387878157 /nfs/dbraw/zinc/87/81/57/387878157.db2.gz GADXYMJBIQREMN-MNOVXSKESA-N 1 3 228.405 1.860 20 0 BDADHO CSC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423082983 387879138 /nfs/dbraw/zinc/87/91/38/387879138.db2.gz GADXYMJBIQREMN-QWRGUYRKSA-N 1 3 228.405 1.860 20 0 BDADHO CCCN1CCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423116120 387899063 /nfs/dbraw/zinc/89/90/63/387899063.db2.gz ZPJMGJAPMFLHLB-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CN(C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645775997 387899969 /nfs/dbraw/zinc/89/99/69/387899969.db2.gz ULSRXLUUVNPXHH-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000423120955 387901570 /nfs/dbraw/zinc/90/15/70/387901570.db2.gz ACOMJNXZDJTNAK-SDDRHHMPSA-N 1 3 241.379 1.008 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000423163794 387919242 /nfs/dbraw/zinc/91/92/42/387919242.db2.gz NKCVDOAHHVYEAK-FVCCEPFGSA-N 1 3 226.364 1.661 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000423123255 387902798 /nfs/dbraw/zinc/90/27/98/387902798.db2.gz KUXJKMIIFIGTHT-BPNCWPANSA-N 1 3 232.327 1.900 20 0 BDADHO CCOCC(C)(C)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423128046 387904687 /nfs/dbraw/zinc/90/46/87/387904687.db2.gz UTPDVFHAWRUFJH-NWDGAFQWSA-N 1 3 228.380 1.637 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423132814 387909625 /nfs/dbraw/zinc/90/96/25/387909625.db2.gz UYZSOUWVLIZPTE-MMWGEVLESA-N 1 3 200.301 1.594 20 0 BDADHO COc1nccc(CN[C@H](C)CCCC[NH3+])n1 ZINC000423151079 387930373 /nfs/dbraw/zinc/93/03/73/387930373.db2.gz ZTJYFMGIXNNXNG-SNVBAGLBSA-N 1 3 238.335 1.092 20 0 BDADHO CC[C@H](NC[C@@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423143579 387920500 /nfs/dbraw/zinc/92/05/00/387920500.db2.gz XKQHVDNSNPEDLE-IHRRRGAJSA-N 1 3 240.391 1.515 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]1F ZINC000423144755 387921581 /nfs/dbraw/zinc/92/15/81/387921581.db2.gz HWFNWFRVCCOKRO-FIQHERPVSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423146085 387923422 /nfs/dbraw/zinc/92/34/22/387923422.db2.gz NYGHVQLTIXOAES-AVGNSLFASA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCCN1 ZINC000423147348 387925706 /nfs/dbraw/zinc/92/57/06/387925706.db2.gz RUFMSFQSDIOCTN-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423149974 387927316 /nfs/dbraw/zinc/92/73/16/387927316.db2.gz YISPMJALBWWBRW-ZGVCCVRISA-N 1 3 226.364 1.674 20 0 BDADHO CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)C2CNC2)CCO1 ZINC000423158137 387938795 /nfs/dbraw/zinc/93/87/95/387938795.db2.gz WJTCOUSWYSMCOB-SCRDCRAPSA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)[C@@H]1C[C@@H](C[NH2+][C@H](C)C2CNC2)CCO1 ZINC000423158135 387938914 /nfs/dbraw/zinc/93/89/14/387938914.db2.gz WJTCOUSWYSMCOB-DYEKYZERSA-N 1 3 240.391 1.635 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159755 387942099 /nfs/dbraw/zinc/94/20/99/387942099.db2.gz GGBSONZHUJGTER-CYDGBPFRSA-N 1 3 208.349 1.750 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1CC=CCC1 ZINC000392241315 387944806 /nfs/dbraw/zinc/94/48/06/387944806.db2.gz KLSKHFSDKFFDCE-ZIAGYGMSSA-N 1 3 237.391 1.355 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392241315 387944810 /nfs/dbraw/zinc/94/48/10/387944810.db2.gz KLSKHFSDKFFDCE-ZIAGYGMSSA-N 1 3 237.391 1.355 20 0 BDADHO CO[C@@H]([C@H](C)N[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423163945 387946306 /nfs/dbraw/zinc/94/63/06/387946306.db2.gz RVZPCVWZTHHEBS-SVDPJWKOSA-N 1 3 214.353 1.515 20 0 BDADHO CCN(C)C(=O)[C@@H](N[C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000423163988 387946686 /nfs/dbraw/zinc/94/66/86/387946686.db2.gz WIQCOMIWYQCKDX-UTUOFQBUSA-N 1 3 243.395 1.205 20 0 BDADHO CC[C@@H](O)[C@H](CC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165738 387947752 /nfs/dbraw/zinc/94/77/52/387947752.db2.gz UUQLUMKFWSHTRC-GJHMDTBVSA-N 1 3 226.364 1.409 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423166675 387949506 /nfs/dbraw/zinc/94/95/06/387949506.db2.gz VRLUZAMIMVJPDT-WUHRBBMRSA-N 1 3 226.364 1.255 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423172370 387959331 /nfs/dbraw/zinc/95/93/31/387959331.db2.gz SMOBSKQHIRILRP-RWMBFGLXSA-N 1 3 228.380 1.766 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2cncn2c1 ZINC000423172448 387959650 /nfs/dbraw/zinc/95/96/50/387959650.db2.gz SYCKXIODLJABKH-TZMCWYRMSA-N 1 3 244.342 1.551 20 0 BDADHO CCC1(CC)[C@H](NCC[NH3+])C[C@H]1OC ZINC000423180120 387965495 /nfs/dbraw/zinc/96/54/95/387965495.db2.gz IDYJZWWWKHBYSL-NXEZZACHSA-N 1 3 200.326 1.128 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN ZINC000423181091 387967563 /nfs/dbraw/zinc/96/75/63/387967563.db2.gz FJCLCNIDTUYXGC-WDEREUQCSA-N 1 3 200.326 1.130 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCC[C@H]1F ZINC000423184135 387969053 /nfs/dbraw/zinc/96/90/53/387969053.db2.gz MZQOGNPKKOLENL-LNFKQOIKSA-N 1 3 202.317 1.983 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H](C)C[C@H](C)[NH3+])C12CCC2 ZINC000423170299 387957033 /nfs/dbraw/zinc/95/70/33/387957033.db2.gz LOERFLUXBFCNFU-WHOHXGKFSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)N)C12CCC2 ZINC000423170299 387957037 /nfs/dbraw/zinc/95/70/37/387957037.db2.gz LOERFLUXBFCNFU-WHOHXGKFSA-N 1 3 226.364 1.659 20 0 BDADHO CC1(C)[C@@H](NCC[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423189220 387973206 /nfs/dbraw/zinc/97/32/06/387973206.db2.gz QPDCNXZGSJZGQZ-KBPBESRZSA-N 1 3 248.370 1.919 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000423189420 387974624 /nfs/dbraw/zinc/97/46/24/387974624.db2.gz QZRXKLRVYMCQML-HTAVTVPLSA-N 1 3 212.337 1.143 20 0 BDADHO CSCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869005 387975192 /nfs/dbraw/zinc/97/51/92/387975192.db2.gz NSCSCYWATGKUSD-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO CSCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869005 387975194 /nfs/dbraw/zinc/97/51/94/387975194.db2.gz NSCSCYWATGKUSD-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO CN1CC[C@H]([NH2+]C2CCNCC2)[C@H]2CCC[C@H]21 ZINC000423191487 387975531 /nfs/dbraw/zinc/97/55/31/387975531.db2.gz UFVYZTFIAOBQKD-HZSPNIEDSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191436 387976478 /nfs/dbraw/zinc/97/64/78/387976478.db2.gz SWQIIHLMSRLROL-NXQJVVEESA-N 1 3 226.389 1.753 20 0 BDADHO C[C@H](CCc1n[nH]c2ccccc12)NCC[NH3+] ZINC000423191996 387977873 /nfs/dbraw/zinc/97/78/73/387977873.db2.gz UYTVYIZGVAYQTH-SNVBAGLBSA-N 1 3 232.331 1.432 20 0 BDADHO NCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423192594 387977961 /nfs/dbraw/zinc/97/79/61/387977961.db2.gz PTHYANITMKBCLN-JHJVBQTASA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NCCC[NH3+] ZINC000423197230 387981945 /nfs/dbraw/zinc/98/19/45/387981945.db2.gz YMGROEXRIOAHKP-ZANVPECISA-N 1 3 222.307 1.997 20 0 BDADHO CCC1(CC)[C@H](NCCC[NH2+]C)C[C@H]1OC ZINC000423198724 387983304 /nfs/dbraw/zinc/98/33/04/387983304.db2.gz HLVRTQJADOUUAV-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH2+]C)C12CCC2 ZINC000423197678 387984863 /nfs/dbraw/zinc/98/48/63/387984863.db2.gz ANWMBBUFCMRWMQ-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO Cc1ccc([C@@H](C)NCCN2CC[NH2+]CC2)o1 ZINC000423199705 387986073 /nfs/dbraw/zinc/98/60/73/387986073.db2.gz CEKDPHPGYDQMCM-GFCCVEGCSA-N 1 3 237.347 1.144 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424372375 387996833 /nfs/dbraw/zinc/99/68/33/387996833.db2.gz GXOMAVRUVZSUSG-UJPOAAIJSA-N 1 3 208.349 1.763 20 0 BDADHO C[NH2+]CCCN(C)CC[C@H]1CCCCO1 ZINC000420397652 387997502 /nfs/dbraw/zinc/99/75/02/387997502.db2.gz XSXJJXFCXUFBSG-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO C1C[C@@H]([NH2+][C@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CN1 ZINC000423214185 387997958 /nfs/dbraw/zinc/99/79/58/387997958.db2.gz MGHJNHAPLLYXMD-YIYPIFLZSA-N 1 3 238.375 1.533 20 0 BDADHO CCc1cccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000420398939 388000033 /nfs/dbraw/zinc/00/00/33/388000033.db2.gz ASLAVGASMKNANJ-UHFFFAOYSA-N 1 3 248.370 1.535 20 0 BDADHO CO[C@@H](C)CNC1CC[NH+](CC2CC2)CC1 ZINC000309660317 388001404 /nfs/dbraw/zinc/00/14/04/388001404.db2.gz RCRPCHGWEGNHJG-NSHDSACASA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423222385 388002836 /nfs/dbraw/zinc/00/28/36/388002836.db2.gz ATFNQHJRHHQZFP-SDDRHHMPSA-N 1 3 228.380 1.905 20 0 BDADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423222385 388002840 /nfs/dbraw/zinc/00/28/40/388002840.db2.gz ATFNQHJRHHQZFP-SDDRHHMPSA-N 1 3 228.380 1.905 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)N ZINC000423226211 388010103 /nfs/dbraw/zinc/01/01/03/388010103.db2.gz PTTMLAWQXAQTTN-GRYCIOLGSA-N 1 3 214.353 1.519 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N)[C@H]1C ZINC000423227823 388013216 /nfs/dbraw/zinc/01/32/16/388013216.db2.gz XEAXPEJAXKXSKK-BJDJZHNGSA-N 1 3 242.363 1.291 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423228406 388013991 /nfs/dbraw/zinc/01/39/91/388013991.db2.gz ZLZHICYQMQXHPZ-RFQIPJPRSA-N 1 3 240.391 1.909 20 0 BDADHO COc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000066147950 388023389 /nfs/dbraw/zinc/02/33/89/388023389.db2.gz IWWBJLWKOYKMQN-JTQLQIEISA-N 1 3 208.305 1.522 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2ccccn2)CC1 ZINC000082474685 388035551 /nfs/dbraw/zinc/03/55/51/388035551.db2.gz XWWVMIYCZODZKS-LLVKDONJSA-N 1 3 219.332 1.641 20 0 BDADHO NC[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527387 135151362 /nfs/dbraw/zinc/15/13/62/135151362.db2.gz ALGJTEJIFNXTPV-GHMZBOCLSA-N 1 3 214.378 1.410 20 0 BDADHO NC[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527387 135151364 /nfs/dbraw/zinc/15/13/64/135151364.db2.gz ALGJTEJIFNXTPV-GHMZBOCLSA-N 1 3 214.378 1.410 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000261527387 135151365 /nfs/dbraw/zinc/15/13/65/135151365.db2.gz ALGJTEJIFNXTPV-GHMZBOCLSA-N 1 3 214.378 1.410 20 0 BDADHO CNCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423244615 388028882 /nfs/dbraw/zinc/02/88/82/388028882.db2.gz LIQGJINRTATUNG-GFCCVEGCSA-N 1 3 220.316 1.189 20 0 BDADHO Cn1cc(CNCC2CC[NH+](C3CC3)CC2)cn1 ZINC000446889677 388044215 /nfs/dbraw/zinc/04/42/15/388044215.db2.gz BREXHKGCPBUQFC-UHFFFAOYSA-N 1 3 248.374 1.384 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423246582 388030250 /nfs/dbraw/zinc/03/02/50/388030250.db2.gz NZXRWDFDARJOPK-JHJVBQTASA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)[C@@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423272266 388051566 /nfs/dbraw/zinc/05/15/66/388051566.db2.gz JUENMMQTRWRMQH-YVECIDJPSA-N 1 3 238.375 1.517 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423272264 388051808 /nfs/dbraw/zinc/05/18/08/388051808.db2.gz JUENMMQTRWRMQH-FVCCEPFGSA-N 1 3 238.375 1.517 20 0 BDADHO COc1ccc(C[C@H](C)N[C@H](C[NH3+])C2CC2)cn1 ZINC000423273471 388053476 /nfs/dbraw/zinc/05/34/76/388053476.db2.gz IZJPGDUTGCOKBS-GXFFZTMASA-N 1 3 249.358 1.348 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423274329 388055198 /nfs/dbraw/zinc/05/51/98/388055198.db2.gz LZDJEPAWLZLVJC-LOWDOPEQSA-N 1 3 240.391 1.635 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423274329 388055201 /nfs/dbraw/zinc/05/52/01/388055201.db2.gz LZDJEPAWLZLVJC-LOWDOPEQSA-N 1 3 240.391 1.635 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@@H](C[NH3+])C1CC1 ZINC000423280863 388062348 /nfs/dbraw/zinc/06/23/48/388062348.db2.gz SYYLSJIXYCKHAK-SKDRFNHKSA-N 1 3 208.305 1.538 20 0 BDADHO CCC([NH3+])(CC)CN[C@H](C)[C@H](C)OC ZINC000423282218 388064322 /nfs/dbraw/zinc/06/43/22/388064322.db2.gz CLFXMKJIZFPLCG-ZJUUUORDSA-N 1 3 202.342 1.517 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H](C)[C@H](C)OC ZINC000423282218 388064324 /nfs/dbraw/zinc/06/43/24/388064324.db2.gz CLFXMKJIZFPLCG-ZJUUUORDSA-N 1 3 202.342 1.517 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H](Cn1cccn1)C(C)C ZINC000423284686 388066570 /nfs/dbraw/zinc/06/65/70/388066570.db2.gz YSZXCVGXUSLBAG-CHWSQXEVSA-N 1 3 238.379 1.353 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423284686 388066571 /nfs/dbraw/zinc/06/65/71/388066571.db2.gz YSZXCVGXUSLBAG-CHWSQXEVSA-N 1 3 238.379 1.353 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)NCC(C)(C)[NH3+] ZINC000423287486 388071396 /nfs/dbraw/zinc/07/13/96/388071396.db2.gz MPQNDEMWGACYOF-LLVKDONJSA-N 1 3 224.352 1.235 20 0 BDADHO CCC1(CC)[C@H](NCC(C)(C)[NH3+])C[C@@H]1OC ZINC000423286790 388071999 /nfs/dbraw/zinc/07/19/99/388071999.db2.gz IUFVNKHJFNIHOZ-MNOVXSKESA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC(C)(C)N ZINC000423288639 388072580 /nfs/dbraw/zinc/07/25/80/388072580.db2.gz UBJPOOQXOOUBSJ-LLVKDONJSA-N 1 3 249.358 1.731 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423287787 388072772 /nfs/dbraw/zinc/07/27/72/388072772.db2.gz OOMBPVNZSCXLPL-MNOVXSKESA-N 1 3 228.380 1.905 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CCC(=O)NC1(C)C ZINC000423290268 388074505 /nfs/dbraw/zinc/07/45/05/388074505.db2.gz COTYSKNNLQJGHV-SNVBAGLBSA-N 1 3 241.379 1.151 20 0 BDADHO Cc1n[nH]cc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216287 388074581 /nfs/dbraw/zinc/07/45/81/388074581.db2.gz NHXSBEBKGKTSDZ-PWSUYJOCSA-N 1 3 222.336 1.325 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000084217591 388075147 /nfs/dbraw/zinc/07/51/47/388075147.db2.gz TZXRQPSWHSXFOB-AAEUAGOBSA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccccn1 ZINC000084217591 388075150 /nfs/dbraw/zinc/07/51/50/388075150.db2.gz TZXRQPSWHSXFOB-AAEUAGOBSA-N 1 3 219.332 1.341 20 0 BDADHO COc1ccc2c(c1)[C@H](NC[C@H](C)C[NH3+])CC2 ZINC000423297149 388078981 /nfs/dbraw/zinc/07/89/81/388078981.db2.gz IYSDTCSNJZVZMQ-QMTHXVAHSA-N 1 3 234.343 1.867 20 0 BDADHO C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000447584671 388080499 /nfs/dbraw/zinc/08/04/99/388080499.db2.gz GPPPMNJJMCTWBZ-WYTNZGFTSA-N 1 3 237.391 1.151 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000447595104 388081113 /nfs/dbraw/zinc/08/11/13/388081113.db2.gz LCMUAFHEVNDSEK-ZIAGYGMSSA-N 1 3 240.391 1.733 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267476 388045996 /nfs/dbraw/zinc/04/59/96/388045996.db2.gz FEMNKDLDPNNREA-FVCCEPFGSA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267476 388045998 /nfs/dbraw/zinc/04/59/98/388045998.db2.gz FEMNKDLDPNNREA-FVCCEPFGSA-N 1 3 238.375 1.389 20 0 BDADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449122593 388145283 /nfs/dbraw/zinc/14/52/83/388145283.db2.gz MAJFJPASPLJTET-ZWNOBZJWSA-N 1 3 241.379 1.007 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489480024 388216938 /nfs/dbraw/zinc/21/69/38/388216938.db2.gz PADGRNAUSWYYDK-BXKDBHETSA-N 1 3 235.331 1.772 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449521618 388223168 /nfs/dbraw/zinc/22/31/68/388223168.db2.gz IZLQCRPEUYXUOL-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449521618 388223169 /nfs/dbraw/zinc/22/31/69/388223169.db2.gz IZLQCRPEUYXUOL-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@H](C(=O)N(C)C1CC([NH3+])C1)N(CC)CC ZINC000449635584 388247248 /nfs/dbraw/zinc/24/72/48/388247248.db2.gz UMMUVCYKWURRGD-HTAVTVPLSA-N 1 3 241.379 1.055 20 0 BDADHO CCC1(C[NH2+]C[C@@H](C)CN(C)C)CCOCC1 ZINC000491588492 388304481 /nfs/dbraw/zinc/30/44/81/388304481.db2.gz IWSSSKGJAWQGDQ-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@H]1CCCNC1 ZINC000261530095 135157346 /nfs/dbraw/zinc/15/73/46/135157346.db2.gz BXASNGXRXZLAIF-NSHDSACASA-N 1 3 214.353 1.248 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H](C)Cc1ccc(F)cc1 ZINC000235144131 388365522 /nfs/dbraw/zinc/36/55/22/388365522.db2.gz WDFMOIFNYMDSMO-UWVGGRQHSA-N 1 3 210.296 1.694 20 0 BDADHO [NH3+]CCOCCN1CCC[C@@H]1c1ccncc1 ZINC000572722682 388371200 /nfs/dbraw/zinc/37/12/00/388371200.db2.gz LIASZEKWVXCSTO-CYBMUJFWSA-N 1 3 235.331 1.194 20 0 BDADHO C[C@@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525475 388377244 /nfs/dbraw/zinc/37/72/44/388377244.db2.gz TYBHJMRVQKNIDG-TUAOUCFPSA-N 1 3 226.389 1.423 20 0 BDADHO CC[N@H+](CCc1cccs1)C[C@H](C)N ZINC000261535956 135170783 /nfs/dbraw/zinc/17/07/83/135170783.db2.gz PUXXKEMNIBUNQQ-JTQLQIEISA-N 1 3 212.362 1.960 20 0 BDADHO CC[N@@H+](CCc1cccs1)C[C@H](C)N ZINC000261535956 135170784 /nfs/dbraw/zinc/17/07/84/135170784.db2.gz PUXXKEMNIBUNQQ-JTQLQIEISA-N 1 3 212.362 1.960 20 0 BDADHO CNCc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000646626386 388397404 /nfs/dbraw/zinc/39/74/04/388397404.db2.gz OYBOKCYRPAMVQJ-GFCCVEGCSA-N 1 3 247.342 1.344 20 0 BDADHO COc1cccc([C@H](C)NCCOCC[NH3+])c1 ZINC000572966723 388400205 /nfs/dbraw/zinc/40/02/05/388400205.db2.gz FKFSKMAINGYQIK-NSHDSACASA-N 1 3 238.331 1.321 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCc2cccnc2)C[C@@H]1CN ZINC000397264851 388455981 /nfs/dbraw/zinc/45/59/81/388455981.db2.gz ISELQNXNDRMBPI-NFAWXSAZSA-N 1 3 247.386 1.929 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2cccnc2)C[C@@H]1CN ZINC000397264851 388455982 /nfs/dbraw/zinc/45/59/82/388455982.db2.gz ISELQNXNDRMBPI-NFAWXSAZSA-N 1 3 247.386 1.929 20 0 BDADHO CC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339193511 388481449 /nfs/dbraw/zinc/48/14/49/388481449.db2.gz GRTCIWNKHORDRN-HNGCFSAESA-N 1 3 226.364 1.314 20 0 BDADHO CC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339193511 388481451 /nfs/dbraw/zinc/48/14/51/388481451.db2.gz GRTCIWNKHORDRN-HNGCFSAESA-N 1 3 226.364 1.314 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCOCC2)C[C@@H]1CN ZINC000397486133 388473610 /nfs/dbraw/zinc/47/36/10/388473610.db2.gz UZXYSUQWDZDFKS-BZPMIXESSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCOCC2)C[C@@H]1CN ZINC000397486133 388473611 /nfs/dbraw/zinc/47/36/11/388473611.db2.gz UZXYSUQWDZDFKS-BZPMIXESSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)CN(C)C ZINC000340392664 388489898 /nfs/dbraw/zinc/48/98/98/388489898.db2.gz ZWQHATJJWFPRDJ-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO CCN1CC[C@@H]([NH2+]CCN2CCCC2)[C@H](C)C1 ZINC000178308804 388498168 /nfs/dbraw/zinc/49/81/68/388498168.db2.gz VRHPDRLFQSSWEN-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCN2CCCC2)[C@H](C)C1 ZINC000178308804 388498170 /nfs/dbraw/zinc/49/81/70/388498170.db2.gz VRHPDRLFQSSWEN-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCN2CCCC2)[C@H](C)C1 ZINC000178308804 388498172 /nfs/dbraw/zinc/49/81/72/388498172.db2.gz VRHPDRLFQSSWEN-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860850 388507398 /nfs/dbraw/zinc/50/73/98/388507398.db2.gz YEABWGIHOOOONL-VXGBXAGGSA-N 1 3 225.380 1.010 20 0 BDADHO COC[C@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC1 ZINC000398004802 388514289 /nfs/dbraw/zinc/51/42/89/388514289.db2.gz AKRKAJJJVWCCRP-HNNXBMFYSA-N 1 3 246.354 1.804 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(CO)c1 ZINC000361184540 388559882 /nfs/dbraw/zinc/55/98/82/388559882.db2.gz SIWYSGKGQUFRHK-WFASDCNBSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(CO)c1 ZINC000361184540 388559884 /nfs/dbraw/zinc/55/98/84/388559884.db2.gz SIWYSGKGQUFRHK-WFASDCNBSA-N 1 3 248.370 1.609 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C(C)C ZINC000362976517 388562645 /nfs/dbraw/zinc/56/26/45/388562645.db2.gz KTBUXGCTHGMEDO-IJLUTSLNSA-N 1 3 214.353 1.374 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178814 388621288 /nfs/dbraw/zinc/62/12/88/388621288.db2.gz OBCCBQVVVNSLAT-KWCYVHTRSA-N 1 3 249.402 1.343 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000530210283 388627611 /nfs/dbraw/zinc/62/76/11/388627611.db2.gz JADDFWCNVDASLC-YNEHKIRRSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1CCCOC1 ZINC000530215792 388628998 /nfs/dbraw/zinc/62/89/98/388628998.db2.gz JAMPDXAHBXCSRD-AVGNSLFASA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223335 388634083 /nfs/dbraw/zinc/63/40/83/388634083.db2.gz UEQKJKSZGWVUOK-GMKTYKIGSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCC12CC(C1)CO2 ZINC000530223335 388634084 /nfs/dbraw/zinc/63/40/84/388634084.db2.gz UEQKJKSZGWVUOK-GMKTYKIGSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227188 388635428 /nfs/dbraw/zinc/63/54/28/388635428.db2.gz VORLBKQRRTVZDV-IMYIMRPESA-N 1 3 238.375 1.671 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000251384340 388643409 /nfs/dbraw/zinc/64/34/09/388643409.db2.gz QHZLLDGSUBSZRG-TUAOUCFPSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)C1CC1 ZINC000246865161 388653418 /nfs/dbraw/zinc/65/34/18/388653418.db2.gz CFTNRZBZVWYNCJ-FRRDWIJNSA-N 1 3 239.407 1.541 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000246999553 388656140 /nfs/dbraw/zinc/65/61/40/388656140.db2.gz KPBMKOMEARGXFF-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000246978693 388656385 /nfs/dbraw/zinc/65/63/85/388656385.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000246978693 388656386 /nfs/dbraw/zinc/65/63/86/388656386.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000246978693 388656388 /nfs/dbraw/zinc/65/63/88/388656388.db2.gz JOZOLLDQHBAEDZ-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000246978648 388656839 /nfs/dbraw/zinc/65/68/39/388656839.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000246978648 388656841 /nfs/dbraw/zinc/65/68/41/388656841.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000246978648 388656843 /nfs/dbraw/zinc/65/68/43/388656843.db2.gz JOZOLLDQHBAEDZ-IHRRRGAJSA-N 1 3 239.407 1.401 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H](C)COC)C1 ZINC000249942221 388735189 /nfs/dbraw/zinc/73/51/89/388735189.db2.gz TWPHLSBZCGCAJW-KBPBESRZSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249942221 388735192 /nfs/dbraw/zinc/73/51/92/388735192.db2.gz TWPHLSBZCGCAJW-KBPBESRZSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249942221 388735193 /nfs/dbraw/zinc/73/51/93/388735193.db2.gz TWPHLSBZCGCAJW-KBPBESRZSA-N 1 3 242.407 1.933 20 0 BDADHO COC[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251015126 388743482 /nfs/dbraw/zinc/74/34/82/388743482.db2.gz WBANXAPLUPMFLU-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000249321015 388717180 /nfs/dbraw/zinc/71/71/80/388717180.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000249321015 388717183 /nfs/dbraw/zinc/71/71/83/388717183.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249321015 388717186 /nfs/dbraw/zinc/71/71/86/388717186.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249321015 388717188 /nfs/dbraw/zinc/71/71/88/388717188.db2.gz GDVXPUZILIQSNS-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000249365720 388718501 /nfs/dbraw/zinc/71/85/01/388718501.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000249365720 388718504 /nfs/dbraw/zinc/71/85/04/388718504.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@](C)(O)CC)C1 ZINC000249365720 388718507 /nfs/dbraw/zinc/71/85/07/388718507.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@](C)(O)CC)C1 ZINC000249365720 388718509 /nfs/dbraw/zinc/71/85/09/388718509.db2.gz MJINACIOYSNHCZ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249487513 388723284 /nfs/dbraw/zinc/72/32/84/388723284.db2.gz XKZRZIXKOGZODC-QJPTWQEYSA-N 1 3 246.420 1.125 20 0 BDADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249487513 388723285 /nfs/dbraw/zinc/72/32/85/388723285.db2.gz XKZRZIXKOGZODC-QJPTWQEYSA-N 1 3 246.420 1.125 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000253025791 388797532 /nfs/dbraw/zinc/79/75/32/388797532.db2.gz NCFAYMQSUVPCPF-REWJHTLYSA-N 1 3 240.391 1.658 20 0 BDADHO c1cnn(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252703288 388771949 /nfs/dbraw/zinc/77/19/49/388771949.db2.gz QGOBGIVUSXNGAD-KGLIPLIRSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252703288 388771952 /nfs/dbraw/zinc/77/19/52/388771952.db2.gz QGOBGIVUSXNGAD-KGLIPLIRSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)c1 ZINC000252703288 388771954 /nfs/dbraw/zinc/77/19/54/388771954.db2.gz QGOBGIVUSXNGAD-KGLIPLIRSA-N 1 3 248.374 1.490 20 0 BDADHO C[C@@H](O)CCNC1CC[NH+](C2CCCC2)CC1 ZINC000305156192 388903038 /nfs/dbraw/zinc/90/30/38/388903038.db2.gz VUBZZKQCSVKJLF-GFCCVEGCSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H](O)CC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000305156192 388903034 /nfs/dbraw/zinc/90/30/34/388903034.db2.gz VUBZZKQCSVKJLF-GFCCVEGCSA-N 1 3 240.391 1.754 20 0 BDADHO CSC[C@@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C ZINC000565829142 388971222 /nfs/dbraw/zinc/97/12/22/388971222.db2.gz WPECAQSBQOUNNA-MNOVXSKESA-N 1 3 248.436 1.276 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccncc1 ZINC000293637320 389016532 /nfs/dbraw/zinc/01/65/32/389016532.db2.gz KPNCXOSCIANZHQ-NWDGAFQWSA-N 1 3 221.348 1.930 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccnc1 ZINC000271491335 389021261 /nfs/dbraw/zinc/02/12/61/389021261.db2.gz FKXRFZZOBIJGKM-LBPRGKRZSA-N 1 3 249.358 1.189 20 0 BDADHO CC(C)n1cc(CNCC2=CC[N@H+](C)CC2)cn1 ZINC000271805977 389026511 /nfs/dbraw/zinc/02/65/11/389026511.db2.gz JYRQNDIWJJRHKL-UHFFFAOYSA-N 1 3 248.374 1.816 20 0 BDADHO CC(C)n1cc(CNCC2=CC[N@@H+](C)CC2)cn1 ZINC000271805977 389026514 /nfs/dbraw/zinc/02/65/14/389026514.db2.gz JYRQNDIWJJRHKL-UHFFFAOYSA-N 1 3 248.374 1.816 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cn[nH]c1 ZINC000274423385 389047389 /nfs/dbraw/zinc/04/73/89/389047389.db2.gz LWRMCQVZTNEZSZ-VHSXEESVSA-N 1 3 210.325 1.401 20 0 BDADHO C[C@H](F)CC[NH+]1CCC(N(C)CCCO)CC1 ZINC000352023866 134039854 /nfs/dbraw/zinc/03/98/54/134039854.db2.gz BCYNKUQHSRJUHJ-LBPRGKRZSA-N 1 3 246.370 1.513 20 0 BDADHO C[C@@H](F)CC[NH+]1CCC(N(C)CCCO)CC1 ZINC000352023865 134040074 /nfs/dbraw/zinc/04/00/74/134040074.db2.gz BCYNKUQHSRJUHJ-GFCCVEGCSA-N 1 3 246.370 1.513 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1ccccn1 ZINC000219319018 134281268 /nfs/dbraw/zinc/28/12/68/134281268.db2.gz CAVHXVMMRRWFFZ-LBPRGKRZSA-N 1 3 237.347 1.310 20 0 BDADHO Cc1cc(CN[C@H](C)CC[NH3+])ccc1F ZINC000220507823 134309778 /nfs/dbraw/zinc/30/97/78/134309778.db2.gz IYNZENSVELFPFK-SNVBAGLBSA-N 1 3 210.296 1.961 20 0 BDADHO CC1(C[NH2+]CCCN2CCCCC2)COC1 ZINC000227518041 134382437 /nfs/dbraw/zinc/38/24/37/134382437.db2.gz ATZCMLPHJUSMAT-UHFFFAOYSA-N 1 3 226.364 1.489 20 0 BDADHO C[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062033274 134805732 /nfs/dbraw/zinc/80/57/32/134805732.db2.gz JUFXFRJLEXIZQL-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCOC2)CC1 ZINC000070964982 135016197 /nfs/dbraw/zinc/01/61/97/135016197.db2.gz MNTOGJSSFUFLGO-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250493261 135056565 /nfs/dbraw/zinc/05/65/65/135056565.db2.gz IWGHKVDEDLWTBD-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250493261 135056566 /nfs/dbraw/zinc/05/65/66/135056566.db2.gz IWGHKVDEDLWTBD-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000251162532 135065471 /nfs/dbraw/zinc/06/54/71/135065471.db2.gz CJWZJWKVFHNYDL-SDDRHHMPSA-N 1 3 214.353 1.471 20 0 BDADHO COCC[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000251162532 135065474 /nfs/dbraw/zinc/06/54/74/135065474.db2.gz CJWZJWKVFHNYDL-SDDRHHMPSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@H](CO)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251197345 135065705 /nfs/dbraw/zinc/06/57/05/135065705.db2.gz KAUWMLOBEPWHQS-RWMBFGLXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCO1 ZINC000251688810 135074460 /nfs/dbraw/zinc/07/44/60/135074460.db2.gz WJQADPZNLFFCHD-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCO1 ZINC000251688810 135074462 /nfs/dbraw/zinc/07/44/62/135074462.db2.gz WJQADPZNLFFCHD-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@H]1CCCO1 ZINC000251718742 135075580 /nfs/dbraw/zinc/07/55/80/135075580.db2.gz BXRHWIHVIRVCFW-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@H]1CCCO1 ZINC000251718742 135075581 /nfs/dbraw/zinc/07/55/81/135075581.db2.gz BXRHWIHVIRVCFW-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](C)[C@H]1CCSC1 ZINC000252433318 135088880 /nfs/dbraw/zinc/08/88/80/135088880.db2.gz CAXPRGPKDNJDJH-MNOVXSKESA-N 1 3 216.394 1.797 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](C)[C@H]1CCSC1 ZINC000252433318 135088883 /nfs/dbraw/zinc/08/88/83/135088883.db2.gz CAXPRGPKDNJDJH-MNOVXSKESA-N 1 3 216.394 1.797 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252690457 135096489 /nfs/dbraw/zinc/09/64/89/135096489.db2.gz UZMLCYFRVLLQKE-ZDEQEGDKSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252690457 135096490 /nfs/dbraw/zinc/09/64/90/135096490.db2.gz UZMLCYFRVLLQKE-ZDEQEGDKSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252703210 135098016 /nfs/dbraw/zinc/09/80/16/135098016.db2.gz KQNWNHQFQMWAFK-FVCCEPFGSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252703210 135098017 /nfs/dbraw/zinc/09/80/17/135098017.db2.gz KQNWNHQFQMWAFK-FVCCEPFGSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252703210 135098019 /nfs/dbraw/zinc/09/80/19/135098019.db2.gz KQNWNHQFQMWAFK-FVCCEPFGSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252759513 135107719 /nfs/dbraw/zinc/10/77/19/135107719.db2.gz LLHPGXSPCFPGKC-CYDGBPFRSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252759513 135107720 /nfs/dbraw/zinc/10/77/20/135107720.db2.gz LLHPGXSPCFPGKC-CYDGBPFRSA-N 1 3 226.364 1.362 20 0 BDADHO c1ccc(CN2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000257641367 135137347 /nfs/dbraw/zinc/13/73/47/135137347.db2.gz AZNLRHDIQVDEDI-UHFFFAOYSA-N 1 3 231.343 1.657 20 0 BDADHO C([C@@H]1CCSC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257641399 135137365 /nfs/dbraw/zinc/13/73/65/135137365.db2.gz AZZBCXLCSLVXBO-NWDGAFQWSA-N 1 3 226.389 1.425 20 0 BDADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257742541 135141899 /nfs/dbraw/zinc/14/18/99/135141899.db2.gz ZDVHIDJLPDZWOM-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO COC[C@@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000087477683 135143493 /nfs/dbraw/zinc/14/34/93/135143493.db2.gz BGSUGCPOEHFHFL-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO COC[C@@H](NCCC[NH+]1CCCC1)C1CC1 ZINC000087477683 135143495 /nfs/dbraw/zinc/14/34/95/135143495.db2.gz BGSUGCPOEHFHFL-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000087478938 135144134 /nfs/dbraw/zinc/14/41/34/135144134.db2.gz OEWDKMXAAWOSJK-YPMHNXCESA-N 1 3 226.364 1.343 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000261529073 135155379 /nfs/dbraw/zinc/15/53/79/135155379.db2.gz AHAILEMNOCMUBN-TUAOUCFPSA-N 1 3 214.353 1.255 20 0 BDADHO C[N@H+](CC[C@@H]1CCCO1)CC(C)(C)N ZINC000261529692 135156721 /nfs/dbraw/zinc/15/67/21/135156721.db2.gz BJIIKNGHHOPTAY-JTQLQIEISA-N 1 3 200.326 1.225 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCO1)CC(C)(C)N ZINC000261529692 135156723 /nfs/dbraw/zinc/15/67/23/135156723.db2.gz BJIIKNGHHOPTAY-JTQLQIEISA-N 1 3 200.326 1.225 20 0 BDADHO CC(C)OCCN[C@@](C)(C[NH3+])C1CC1 ZINC000261531309 135159832 /nfs/dbraw/zinc/15/98/32/135159832.db2.gz GBMNFWCEXXCDBC-NSHDSACASA-N 1 3 200.326 1.128 20 0 BDADHO COC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261532735 135163560 /nfs/dbraw/zinc/16/35/60/135163560.db2.gz DJWXGWALWMAJOS-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261532735 135163561 /nfs/dbraw/zinc/16/35/61/135163561.db2.gz DJWXGWALWMAJOS-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261532735 135163563 /nfs/dbraw/zinc/16/35/63/135163563.db2.gz DJWXGWALWMAJOS-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CC1(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000261534688 135167883 /nfs/dbraw/zinc/16/78/83/135167883.db2.gz MXSSEKWTNDCVIZ-NEPJUHHUSA-N 1 3 208.349 1.860 20 0 BDADHO CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534517 135168243 /nfs/dbraw/zinc/16/82/43/135168243.db2.gz RRCUGPKUYSISFA-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000261535824 135170689 /nfs/dbraw/zinc/17/06/89/135170689.db2.gz PHZHYRZJNBMEFY-OUJBWJOFSA-N 1 3 204.317 1.999 20 0 BDADHO COCC1(C[NH2+]C2CCNCC2)CCC1 ZINC000261537124 135173166 /nfs/dbraw/zinc/17/31/66/135173166.db2.gz UXPPQQCOYHEXNL-UHFFFAOYSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@H]1CCCO1 ZINC000261536800 135173285 /nfs/dbraw/zinc/17/32/85/135173285.db2.gz TUFJUHWCBNOWQW-WISYIIOYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000261536800 135173288 /nfs/dbraw/zinc/17/32/88/135173288.db2.gz TUFJUHWCBNOWQW-WISYIIOYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261539341 135178041 /nfs/dbraw/zinc/17/80/41/135178041.db2.gz CEIHLMAIGROKGF-AGIUHOORSA-N 1 3 208.349 1.718 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)[C@H](C)CC ZINC000261539933 135178660 /nfs/dbraw/zinc/17/86/60/135178660.db2.gz CMYCJHVSJLNNTL-VXGBXAGGSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)[C@H](C)CC ZINC000261539933 135178661 /nfs/dbraw/zinc/17/86/61/135178661.db2.gz CMYCJHVSJLNNTL-VXGBXAGGSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@@]1(CN2CC[C@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543685 135185022 /nfs/dbraw/zinc/18/50/22/135185022.db2.gz HXWMLVPRKRPQGX-QWHCGFSZSA-N 1 3 208.349 1.718 20 0 BDADHO C[NH2+]CC1CCN(Cc2scnc2C)CC1 ZINC000084149511 135187971 /nfs/dbraw/zinc/18/79/71/135187971.db2.gz UTLDBLGGTDRBIB-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO Cc1nc(C)c(CN[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000261566989 135209014 /nfs/dbraw/zinc/20/90/14/135209014.db2.gz DTETUVSVRXVWPQ-WDEREUQCSA-N 1 3 239.388 1.977 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000261573838 135216133 /nfs/dbraw/zinc/21/61/33/135216133.db2.gz IZYMRRLVZRNZIU-JBLDHEPKSA-N 1 3 222.336 1.578 20 0 BDADHO C[C@@H]([NH3+])CN(C[C@@H](C)O)C1CCCCC1 ZINC000261580064 135220725 /nfs/dbraw/zinc/22/07/25/135220725.db2.gz MQHNJQGFDBSRBT-GHMZBOCLSA-N 1 3 214.353 1.349 20 0 BDADHO COc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261584040 135224780 /nfs/dbraw/zinc/22/47/80/135224780.db2.gz SAOPIEFKHCQPEO-UBHSHLNASA-N 1 3 246.354 1.864 20 0 BDADHO C[C@@](C[NH3+])(NCCOCC1CC1)C1CC1 ZINC000261585463 135227030 /nfs/dbraw/zinc/22/70/30/135227030.db2.gz QJTOLVWZJGRPNJ-LBPRGKRZSA-N 1 3 212.337 1.130 20 0 BDADHO [NH3+]CCN1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261606027 135237999 /nfs/dbraw/zinc/23/79/99/135237999.db2.gz BFLLZDGBRWJZSG-GFCCVEGCSA-N 1 3 239.750 1.245 20 0 BDADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)N)CC(C)C ZINC000164407991 135243033 /nfs/dbraw/zinc/24/30/33/135243033.db2.gz AEMXVPOJXPEKDM-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000261731085 135248393 /nfs/dbraw/zinc/24/83/93/135248393.db2.gz HECVDVHFVAHRKL-ZIAGYGMSSA-N 1 3 237.391 1.155 20 0 BDADHO COC[C@@H]1CCCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261825215 135255850 /nfs/dbraw/zinc/25/58/50/135255850.db2.gz IPVDXDZERZZACS-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@@H]1CCCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261825215 135255852 /nfs/dbraw/zinc/25/58/52/135255852.db2.gz IPVDXDZERZZACS-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO COC(=O)C(C)(C)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000261831498 135256014 /nfs/dbraw/zinc/25/60/14/135256014.db2.gz JBVKQFVAPFAVNR-MNOVXSKESA-N 1 3 242.363 1.245 20 0 BDADHO C[C@@H](CNC1=[NH+]CCCN1)N1CCCC[C@@H]1C ZINC000261872600 135258944 /nfs/dbraw/zinc/25/89/44/135258944.db2.gz PDCCTNXEGVWDJD-RYUDHWBXSA-N 1 3 238.379 1.188 20 0 BDADHO COC1CCC(N(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261909180 135261662 /nfs/dbraw/zinc/26/16/62/135261662.db2.gz XTZSMOBUVVTQJD-RUXDESIVSA-N 1 3 240.391 1.875 20 0 BDADHO CCC1(CO)CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261932770 135264546 /nfs/dbraw/zinc/26/45/46/135264546.db2.gz CWYVHCPPUVFONB-CYBMUJFWSA-N 1 3 240.391 1.471 20 0 BDADHO CC(C)n1nccc1CN1CCC(C[NH3+])CC1 ZINC000262035813 135275240 /nfs/dbraw/zinc/27/52/40/135275240.db2.gz XRYVWSIGZWRHAW-UHFFFAOYSA-N 1 3 236.363 1.635 20 0 BDADHO CCOC[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044556 135275513 /nfs/dbraw/zinc/27/55/13/135275513.db2.gz PNRVUJZZESORPO-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CCC[C@](C)(N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000262598928 135308116 /nfs/dbraw/zinc/30/81/16/135308116.db2.gz NLGFCEMGGAAWEY-YPMHNXCESA-N 1 3 243.395 1.336 20 0 BDADHO NC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000262757965 135317081 /nfs/dbraw/zinc/31/70/81/135317081.db2.gz FAEJVLVDHGRYEL-WDEREUQCSA-N 1 3 239.363 1.034 20 0 BDADHO C[C@H](CC1CCCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000263251017 135342766 /nfs/dbraw/zinc/34/27/66/135342766.db2.gz PXMLRUYCYAEAMG-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CC1CCCC1)[NH2+]C[C@H]1CNC[C@H]1O ZINC000263251017 135342767 /nfs/dbraw/zinc/34/27/67/135342767.db2.gz PXMLRUYCYAEAMG-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO CCN1C[C@@H](C)[C@H](NCCC[N@H+](C)C(C)C)C1 ZINC000343153630 135366542 /nfs/dbraw/zinc/36/65/42/135366542.db2.gz DOGZDUYSWFMMMR-ZIAGYGMSSA-N 1 3 241.423 1.647 20 0 BDADHO CCN1C[C@@H](C)[C@H](NCCC[N@@H+](C)C(C)C)C1 ZINC000343153630 135366543 /nfs/dbraw/zinc/36/65/43/135366543.db2.gz DOGZDUYSWFMMMR-ZIAGYGMSSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCCOCC1)CN1CCCC1 ZINC000086874590 135498155 /nfs/dbraw/zinc/49/81/55/135498155.db2.gz AWWTWSWUSLPNAS-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348157206 136040700 /nfs/dbraw/zinc/04/07/00/136040700.db2.gz FHDZAQISDWSKHF-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348157204 136040853 /nfs/dbraw/zinc/04/08/53/136040853.db2.gz FHDZAQISDWSKHF-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCCN2C)[C@@H](C)CN1C ZINC000649572917 397963894 /nfs/dbraw/zinc/96/38/94/397963894.db2.gz NGTRDOBUJWEZMB-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C)[C@@H](C)CN1C ZINC000649572917 397963899 /nfs/dbraw/zinc/96/38/99/397963899.db2.gz NGTRDOBUJWEZMB-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO CC[C@@H]1CN(Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000647934806 398034197 /nfs/dbraw/zinc/03/41/97/398034197.db2.gz REJIQZRGBQEURW-TZMCWYRMSA-N 1 3 233.359 1.828 20 0 BDADHO C[NH2+]CCN[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414829648 398050853 /nfs/dbraw/zinc/05/08/53/398050853.db2.gz MYGJRIHPKATSQT-BDAKNGLRSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384711458 398103778 /nfs/dbraw/zinc/10/37/78/398103778.db2.gz GKZAHRRNLAQORW-NJMOYASZSA-N 1 3 226.364 1.673 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000393915703 398125066 /nfs/dbraw/zinc/12/50/66/398125066.db2.gz SRDFDBKAXUCHOF-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@@H]1CCC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000393915703 398125068 /nfs/dbraw/zinc/12/50/68/398125068.db2.gz SRDFDBKAXUCHOF-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@@H]1CCC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000393915703 398125070 /nfs/dbraw/zinc/12/50/70/398125070.db2.gz SRDFDBKAXUCHOF-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO COCCC[N@H+](C)CC[C@@H]1CCCN1C ZINC000120411513 174215469 /nfs/dbraw/zinc/21/54/69/174215469.db2.gz LKKOHVOQPRFJOJ-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO COCCC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000120411513 174215471 /nfs/dbraw/zinc/21/54/71/174215471.db2.gz LKKOHVOQPRFJOJ-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CC(C)OC[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000336762689 167259005 /nfs/dbraw/zinc/25/90/05/167259005.db2.gz OJPCDFIMYWYVBH-VXGBXAGGSA-N 1 3 216.369 1.730 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662264598 409560450 /nfs/dbraw/zinc/56/04/50/409560450.db2.gz DXMPPBOZSHPHLN-CRWXNKLISA-N 1 3 220.360 1.718 20 0 BDADHO CO[C@@H](CN1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267411 409568997 /nfs/dbraw/zinc/56/89/97/409568997.db2.gz VEZVTBBFIQCCDV-UONOGXRCSA-N 1 3 238.375 1.487 20 0 BDADHO CO[C@H](CN1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267415 409570594 /nfs/dbraw/zinc/57/05/94/409570594.db2.gz VEZVTBBFIQCCDV-ZIAGYGMSSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@H]1C[N@H+](C[C@@H]2CCC3(CNC3)O2)C[C@H]1C ZINC000662253590 409551241 /nfs/dbraw/zinc/55/12/41/409551241.db2.gz ANXOVWXQOTXFRC-TUAOUCFPSA-N 1 3 224.348 1.095 20 0 BDADHO C[C@H]1C[N@@H+](C[C@@H]2CCC3(CNC3)O2)C[C@H]1C ZINC000662253590 409551248 /nfs/dbraw/zinc/55/12/48/409551248.db2.gz ANXOVWXQOTXFRC-TUAOUCFPSA-N 1 3 224.348 1.095 20 0 BDADHO C[NH+](C)CCC[C@H]1CN(CC2CCC2)CCO1 ZINC000662318903 409637443 /nfs/dbraw/zinc/63/74/43/409637443.db2.gz ARPUVEORNFXOMX-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@](C)(CN)C1)C1CCCC1 ZINC000662274793 409584232 /nfs/dbraw/zinc/58/42/32/409584232.db2.gz ZYDZMYHFHSWXJS-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@](C)(CN)C1)C1CCCC1 ZINC000662274793 409584238 /nfs/dbraw/zinc/58/42/38/409584238.db2.gz ZYDZMYHFHSWXJS-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO Cc1ccc(CNCCC2(C[NH3+])CC2)nc1 ZINC000650712584 410342002 /nfs/dbraw/zinc/34/20/02/410342002.db2.gz LDEQJVUNVKWORY-UHFFFAOYSA-N 1 3 219.332 1.609 20 0 BDADHO C[C@@H](CO)C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000650714924 410348430 /nfs/dbraw/zinc/34/84/30/410348430.db2.gz HPZMFVYAMXXKCE-GXTWGEPZSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@]1(CN[C@@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714989 410348779 /nfs/dbraw/zinc/34/87/79/410348779.db2.gz KLGBGXKZIMYQKT-ZFWWWQNUSA-N 1 3 245.370 1.612 20 0 BDADHO c1ccc2c(c1)C[C@@H](N[C@H]1CCC[NH2+]CC1)CN2 ZINC000650715173 410351984 /nfs/dbraw/zinc/35/19/84/410351984.db2.gz SLZQPIDISWNZEP-UONOGXRCSA-N 1 3 245.370 1.755 20 0 BDADHO CCn1ccnc1[C@@H](C)NCCC1(C[NH3+])CC1 ZINC000650746892 410384411 /nfs/dbraw/zinc/38/44/11/410384411.db2.gz NBIJXZVESGLCFL-LLVKDONJSA-N 1 3 236.363 1.683 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CNc2ccccc2C1 ZINC000650747463 410388620 /nfs/dbraw/zinc/38/86/20/410388620.db2.gz AKGHBJDWZDZHAG-GVXVVHGQSA-N 1 3 233.359 1.739 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccncn1 ZINC000650748692 410390956 /nfs/dbraw/zinc/39/09/56/410390956.db2.gz ZWVTYVBLHLZCJC-SNVBAGLBSA-N 1 3 220.320 1.256 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@H]1N ZINC000300231725 410616588 /nfs/dbraw/zinc/61/65/88/410616588.db2.gz INXFWLATGFKOAH-IJLUTSLNSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@H]1N ZINC000300231725 410616594 /nfs/dbraw/zinc/61/65/94/410616594.db2.gz INXFWLATGFKOAH-IJLUTSLNSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CCSC2)CC[C@H]1[NH3+] ZINC000300231725 410616599 /nfs/dbraw/zinc/61/65/99/410616599.db2.gz INXFWLATGFKOAH-IJLUTSLNSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@H]1CN(CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000393760410 410760721 /nfs/dbraw/zinc/76/07/21/410760721.db2.gz KVXFDTACKKDBGB-NWDGAFQWSA-N 1 3 222.336 1.011 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC000395042841 410834586 /nfs/dbraw/zinc/83/45/86/410834586.db2.gz JVSJPWKAAJOYTP-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000653299418 410819714 /nfs/dbraw/zinc/81/97/14/410819714.db2.gz SUAAUWQMZRGCLT-ZWNOBZJWSA-N 1 3 219.332 1.580 20 0 BDADHO C[C@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040802647 410890814 /nfs/dbraw/zinc/89/08/14/410890814.db2.gz BHDBPITYZSSVMF-AAEUAGOBSA-N 1 3 249.358 1.143 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@@H]1CN(C)C[C@H]1C ZINC000651865666 411147841 /nfs/dbraw/zinc/14/78/41/411147841.db2.gz CPUZCZURDWCWFF-ZIAGYGMSSA-N 1 3 241.423 1.504 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CN(C)C[C@H]1C ZINC000651865666 411147842 /nfs/dbraw/zinc/14/78/42/411147842.db2.gz CPUZCZURDWCWFF-ZIAGYGMSSA-N 1 3 241.423 1.504 20 0 BDADHO CN1CCN(C[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000653660614 411159625 /nfs/dbraw/zinc/15/96/25/411159625.db2.gz JFSAENJHKAKJMR-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CCN(C[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000653660614 411159627 /nfs/dbraw/zinc/15/96/27/411159627.db2.gz JFSAENJHKAKJMR-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000653660614 411159630 /nfs/dbraw/zinc/15/96/30/411159630.db2.gz JFSAENJHKAKJMR-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CCC[C@@H]1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000653660614 411159633 /nfs/dbraw/zinc/15/96/33/411159633.db2.gz JFSAENJHKAKJMR-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CCC(C)(C)N1CCN(CCC[NH3+])CC1 ZINC000655948391 411161236 /nfs/dbraw/zinc/16/12/36/411161236.db2.gz ZCNVIBKZYLNPCU-UHFFFAOYSA-N 1 3 213.369 1.141 20 0 BDADHO CCOCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404309027 411183155 /nfs/dbraw/zinc/18/31/55/411183155.db2.gz JMNPKXJPFYBAKE-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404309027 411183156 /nfs/dbraw/zinc/18/31/56/411183156.db2.gz JMNPKXJPFYBAKE-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404309027 411183158 /nfs/dbraw/zinc/18/31/58/411183158.db2.gz JMNPKXJPFYBAKE-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCCN1 ZINC000402138841 411197425 /nfs/dbraw/zinc/19/74/25/411197425.db2.gz LITXSXRJVJBONK-RHYQMDGZSA-N 1 3 212.337 1.284 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCn3ccnc3C2)C1 ZINC000656197947 411202616 /nfs/dbraw/zinc/20/26/16/411202616.db2.gz FFYHBOYIOIHERD-IJLUTSLNSA-N 1 3 234.347 1.057 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000656197437 411203464 /nfs/dbraw/zinc/20/34/64/411203464.db2.gz JDIJCPILGFTLIW-VOAKCMCISA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC1CC1 ZINC000656200941 411205777 /nfs/dbraw/zinc/20/57/77/411205777.db2.gz ZOIYPIPPXWEQDX-CYZMBNFOSA-N 1 3 226.364 1.519 20 0 BDADHO CCN(CC[NH2+][C@H]1CCCCC[C@H]1N)C1CC1 ZINC000422883708 411233689 /nfs/dbraw/zinc/23/36/89/411233689.db2.gz VKTUNLYJJQJGOE-KGLIPLIRSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173581 411236774 /nfs/dbraw/zinc/23/67/74/411236774.db2.gz ZGYOWLUECJAZIS-LBELIVKGSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCN1 ZINC000423173581 411236776 /nfs/dbraw/zinc/23/67/76/411236776.db2.gz ZGYOWLUECJAZIS-LBELIVKGSA-N 1 3 208.349 1.905 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)CC1CCCC1 ZINC000310508474 411239820 /nfs/dbraw/zinc/23/98/20/411239820.db2.gz JRIJQCHYQWAVJS-AWEZNQCLSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)CC1CCCC1 ZINC000310508474 411239823 /nfs/dbraw/zinc/23/98/23/411239823.db2.gz JRIJQCHYQWAVJS-AWEZNQCLSA-N 1 3 242.407 1.810 20 0 BDADHO CC[C@@H]1CN(CCCC2CC[NH2+]CC2)CCO1 ZINC000050952670 411268997 /nfs/dbraw/zinc/26/89/97/411268997.db2.gz PUGHFNVCKJCEAK-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CN(CCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000050952280 411269367 /nfs/dbraw/zinc/26/93/67/411269367.db2.gz JFWYGUYIMQQCRF-BETUJISGSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H]1COCCN1CCCC1CC[NH2+]CC1 ZINC000050952757 411269602 /nfs/dbraw/zinc/26/96/02/411269602.db2.gz AYEQQSFLLOLENG-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)(C[NH3+])NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659297944 411278234 /nfs/dbraw/zinc/27/82/34/411278234.db2.gz NOQRBBHMRLHPMM-LBPRGKRZSA-N 1 3 247.342 1.075 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403660842 411352586 /nfs/dbraw/zinc/35/25/86/411352586.db2.gz LVFBJTKEFPDCGD-NWBUJAPZSA-N 1 3 208.349 1.892 20 0 BDADHO [NH3+]C1(CN[C@H]2CCCSC2)CCCC1 ZINC000656789611 411369059 /nfs/dbraw/zinc/36/90/59/411369059.db2.gz SSYNEDBNVKTIOT-JTQLQIEISA-N 1 3 214.378 1.743 20 0 BDADHO CC(C)(N)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000656791895 411372611 /nfs/dbraw/zinc/37/26/11/411372611.db2.gz LPSNPUJDPAWHTN-SNVBAGLBSA-N 1 3 202.317 1.795 20 0 BDADHO CC(C)(N)C[N@H+]1CCC[C@H](CCF)C1 ZINC000656791895 411372613 /nfs/dbraw/zinc/37/26/13/411372613.db2.gz LPSNPUJDPAWHTN-SNVBAGLBSA-N 1 3 202.317 1.795 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000404068223 411374300 /nfs/dbraw/zinc/37/43/00/411374300.db2.gz LCVFLMYDEZISJP-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1cnccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000129720664 411377650 /nfs/dbraw/zinc/37/76/50/411377650.db2.gz CBUATVDLMMHOCK-OLZOCXBDSA-N 1 3 219.332 1.750 20 0 BDADHO CC(C)[C@@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662432 411376244 /nfs/dbraw/zinc/37/62/44/411376244.db2.gz KDQUBGKKSSUHEG-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662432 411376247 /nfs/dbraw/zinc/37/62/47/411376247.db2.gz KDQUBGKKSSUHEG-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H]1CCC[N@H+](CC2CCOCC2)[C@H]1CCN ZINC000404299983 411390193 /nfs/dbraw/zinc/39/01/93/411390193.db2.gz PRSCZFWEAOYPPG-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1CCN ZINC000404299983 411390195 /nfs/dbraw/zinc/39/01/95/411390195.db2.gz PRSCZFWEAOYPPG-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO COCCOCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404384926 411392826 /nfs/dbraw/zinc/39/28/26/411392826.db2.gz NWOVVTMSFZSPSD-OLZOCXBDSA-N 1 3 244.379 1.099 20 0 BDADHO CC(C)O[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000404625108 411402433 /nfs/dbraw/zinc/40/24/33/411402433.db2.gz CDXAXNSWQYPPMP-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO CCC[C@H]1CCCN(C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653568603 411423280 /nfs/dbraw/zinc/42/32/80/411423280.db2.gz DVFSTWWPYWAKBO-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653568603 411423282 /nfs/dbraw/zinc/42/32/82/411423282.db2.gz DVFSTWWPYWAKBO-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CC1 ZINC000126441892 411437917 /nfs/dbraw/zinc/43/79/17/411437917.db2.gz HIFFUVSOJAFGJE-OCCSQVGLSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@H](NC[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000126441892 411437920 /nfs/dbraw/zinc/43/79/20/411437920.db2.gz HIFFUVSOJAFGJE-OCCSQVGLSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@H](NC[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000126441892 411437922 /nfs/dbraw/zinc/43/79/22/411437922.db2.gz HIFFUVSOJAFGJE-OCCSQVGLSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@H]1C[C@@H](NCCC[NH+](C)C)CO1 ZINC000657287739 411446606 /nfs/dbraw/zinc/44/66/06/411446606.db2.gz ULFCVOJICMKKPX-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO C[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCC3)CCN1C ZINC000657374986 411482719 /nfs/dbraw/zinc/48/27/19/411482719.db2.gz BJJKVEMTWMSVJR-NWDGAFQWSA-N 1 3 248.374 1.402 20 0 BDADHO Cc1cc([C@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)no1 ZINC000655804007 411519144 /nfs/dbraw/zinc/51/91/44/411519144.db2.gz LUQWTQGHVMCTJZ-SDDRHHMPSA-N 1 3 237.347 1.974 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655827262 411529741 /nfs/dbraw/zinc/52/97/41/411529741.db2.gz PGTFMJGSPNFPTI-TXEJJXNPSA-N 1 3 249.358 1.525 20 0 BDADHO Cc1c[nH]c(CNCCCC[N@@H+](C)C2CC2)n1 ZINC000657488700 411531783 /nfs/dbraw/zinc/53/17/83/411531783.db2.gz VCMPXTQYDRTGAU-UHFFFAOYSA-N 1 3 236.363 1.682 20 0 BDADHO Cc1c[nH]c(CNCCCC[N@H+](C)C2CC2)n1 ZINC000657488700 411531786 /nfs/dbraw/zinc/53/17/86/411531786.db2.gz VCMPXTQYDRTGAU-UHFFFAOYSA-N 1 3 236.363 1.682 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@]2(C)CCCO2)C1 ZINC000340189017 170016523 /nfs/dbraw/zinc/01/65/23/170016523.db2.gz SIGVGVBEZJMWOJ-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(CO)CC1 ZINC000657606979 411561048 /nfs/dbraw/zinc/56/10/48/411561048.db2.gz FPXYLLNTIZDKCN-YNEHKIRRSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(CO)CC1 ZINC000657606979 411561049 /nfs/dbraw/zinc/56/10/49/411561049.db2.gz FPXYLLNTIZDKCN-YNEHKIRRSA-N 1 3 238.375 1.364 20 0 BDADHO C[NH+](C)CCCN[C@@H]1COC2(CCC2)C1 ZINC000657817889 411605519 /nfs/dbraw/zinc/60/55/19/411605519.db2.gz QJVBWQJVZAKSCH-NSHDSACASA-N 1 3 212.337 1.239 20 0 BDADHO C[C@H]1C[C@H](NCCOCCF)CC[N@@H+]1C ZINC000663460674 411662252 /nfs/dbraw/zinc/66/22/52/411662252.db2.gz CMFSLRZFOUERLC-WDEREUQCSA-N 1 3 218.316 1.045 20 0 BDADHO C[C@H]1C[C@H](NCCOCCF)CC[N@H+]1C ZINC000663460674 411662256 /nfs/dbraw/zinc/66/22/56/411662256.db2.gz CMFSLRZFOUERLC-WDEREUQCSA-N 1 3 218.316 1.045 20 0 BDADHO C[C@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497321 411679639 /nfs/dbraw/zinc/67/96/39/411679639.db2.gz DQZCBHCEGQCUHQ-QCXCNERSSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497321 411679643 /nfs/dbraw/zinc/67/96/43/411679643.db2.gz DQZCBHCEGQCUHQ-QCXCNERSSA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@@H]1CCCSC1)C12CC(C1)CN2 ZINC000663499671 411682855 /nfs/dbraw/zinc/68/28/55/411682855.db2.gz ZXAHKSJNLHWCPP-HSOILSAZSA-N 1 3 212.362 1.224 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCO[C@H]1C ZINC000663500710 411684169 /nfs/dbraw/zinc/68/41/69/411684169.db2.gz UCEKKVMLPWJALY-HBNTYKKESA-N 1 3 200.326 1.127 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503588 411687970 /nfs/dbraw/zinc/68/79/70/411687970.db2.gz PYKLKTWGYGOMMU-NEPJUHHUSA-N 1 3 246.358 1.223 20 0 BDADHO C[C@H]1C[C@H](CN2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503589 411688298 /nfs/dbraw/zinc/68/82/98/411688298.db2.gz PYKLKTWGYGOMMU-NWDGAFQWSA-N 1 3 246.358 1.223 20 0 BDADHO CN(C[C@@H]1CC1(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000663514754 411695421 /nfs/dbraw/zinc/69/54/21/411695421.db2.gz SQPKJWOSAXWRDC-AAEUAGOBSA-N 1 3 210.365 1.964 20 0 BDADHO CCc1cc(N(C)CC2CN(C)C2)cc[nH+]1 ZINC000664331203 411922942 /nfs/dbraw/zinc/92/29/42/411922942.db2.gz WEOHQVJROLCBIJ-UHFFFAOYSA-N 1 3 219.332 1.642 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CNC1(CC(C)C)CC1 ZINC000662065750 411965608 /nfs/dbraw/zinc/96/56/08/411965608.db2.gz AOGLZAZXASALLI-LBPRGKRZSA-N 1 3 228.380 1.467 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CNC1(CC(C)C)CC1 ZINC000662065750 411965612 /nfs/dbraw/zinc/96/56/12/411965612.db2.gz AOGLZAZXASALLI-LBPRGKRZSA-N 1 3 228.380 1.467 20 0 BDADHO CO[C@@H](C[N@@H+]1CCCNCC1)C1CCC1 ZINC000662234072 412032320 /nfs/dbraw/zinc/03/23/20/412032320.db2.gz BISKEVJUVMBUDP-LBPRGKRZSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@@H](C[N@H+]1CCCNCC1)C1CCC1 ZINC000662234072 412032325 /nfs/dbraw/zinc/03/23/25/412032325.db2.gz BISKEVJUVMBUDP-LBPRGKRZSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@@H](N)C1)C1CCC1 ZINC000662236529 412034134 /nfs/dbraw/zinc/03/41/34/412034134.db2.gz ZRXIFRAHABKEQC-NEPJUHHUSA-N 1 3 212.337 1.225 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@@H](N)C1)C1CCC1 ZINC000662236529 412034137 /nfs/dbraw/zinc/03/41/37/412034137.db2.gz ZRXIFRAHABKEQC-NEPJUHHUSA-N 1 3 212.337 1.225 20 0 BDADHO CO[C@@H](CN(C)C1CC[NH2+]CC1)C1CCCC1 ZINC000662238727 412034673 /nfs/dbraw/zinc/03/46/73/412034673.db2.gz UWVNAWSPRPSQPY-AWEZNQCLSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H](C[N@H+](C)C1CCNCC1)C1CCCC1 ZINC000662238727 412034679 /nfs/dbraw/zinc/03/46/79/412034679.db2.gz UWVNAWSPRPSQPY-AWEZNQCLSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H](C[N@@H+](C)C1CCNCC1)C1CCCC1 ZINC000662238727 412034684 /nfs/dbraw/zinc/03/46/84/412034684.db2.gz UWVNAWSPRPSQPY-AWEZNQCLSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1nocc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000662247500 412045186 /nfs/dbraw/zinc/04/51/86/412045186.db2.gz WMXBSWLTWQTFDW-SECBINFHSA-N 1 3 223.320 1.542 20 0 BDADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662249318 412047517 /nfs/dbraw/zinc/04/75/17/412047517.db2.gz SWPFFRJMVQDKKS-LBPRGKRZSA-N 1 3 224.348 1.382 20 0 BDADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCCC1 ZINC000662249318 412047519 /nfs/dbraw/zinc/04/75/19/412047519.db2.gz SWPFFRJMVQDKKS-LBPRGKRZSA-N 1 3 224.348 1.382 20 0 BDADHO CC(C)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662250768 412048945 /nfs/dbraw/zinc/04/89/45/412048945.db2.gz NOXIQUQKTABHQS-OLZOCXBDSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662250768 412048946 /nfs/dbraw/zinc/04/89/46/412048946.db2.gz NOXIQUQKTABHQS-OLZOCXBDSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662253472 412050272 /nfs/dbraw/zinc/05/02/72/412050272.db2.gz WGZCHNKODHACDB-GHMZBOCLSA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662253472 412050275 /nfs/dbraw/zinc/05/02/75/412050275.db2.gz WGZCHNKODHACDB-GHMZBOCLSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@H]([N@H+](C)C[C@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257721 412051291 /nfs/dbraw/zinc/05/12/91/412051291.db2.gz FWKDFMYYRYMZRF-NWDGAFQWSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H]([N@@H+](C)C[C@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257721 412051292 /nfs/dbraw/zinc/05/12/92/412051292.db2.gz FWKDFMYYRYMZRF-NWDGAFQWSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H](C)C[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258859 412054212 /nfs/dbraw/zinc/05/42/12/412054212.db2.gz MWMPVPJOELXIFE-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258859 412054215 /nfs/dbraw/zinc/05/42/15/412054215.db2.gz MWMPVPJOELXIFE-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259033 412054465 /nfs/dbraw/zinc/05/44/65/412054465.db2.gz OMYURUKUEAANPA-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259033 412054467 /nfs/dbraw/zinc/05/44/67/412054467.db2.gz OMYURUKUEAANPA-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000341009156 171083383 /nfs/dbraw/zinc/08/33/83/171083383.db2.gz LMEPQFPIKUKNOE-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000341009156 171083385 /nfs/dbraw/zinc/08/33/85/171083385.db2.gz LMEPQFPIKUKNOE-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000336719045 171084577 /nfs/dbraw/zinc/08/45/77/171084577.db2.gz RWGOOEUFLKGKFV-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000336719045 171084578 /nfs/dbraw/zinc/08/45/78/171084578.db2.gz RWGOOEUFLKGKFV-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@@H]1CO[C@@H](C)CN1CCC1CC[NH2+]CC1 ZINC000020593533 171111028 /nfs/dbraw/zinc/11/10/28/171111028.db2.gz OKGDFSXFMIYGJM-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1CO[C@H](C)CN1CCC1CC[NH2+]CC1 ZINC000020593535 171112952 /nfs/dbraw/zinc/11/29/52/171112952.db2.gz OKGDFSXFMIYGJM-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CCc1nocc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000662273141 412066027 /nfs/dbraw/zinc/06/60/27/412066027.db2.gz UEDUJLGICYXUNC-NSHDSACASA-N 1 3 237.347 1.798 20 0 BDADHO COC[C@H](CN[C@H](C[NH3+])C1CCCCC1)OC ZINC000662276181 412067677 /nfs/dbraw/zinc/06/76/77/412067677.db2.gz GPTJCRLJSXAPTL-QWHCGFSZSA-N 1 3 244.379 1.145 20 0 BDADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662280444 412070941 /nfs/dbraw/zinc/07/09/41/412070941.db2.gz DNPZAIXKCHWEHI-TUAOUCFPSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CCCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662279005 412071032 /nfs/dbraw/zinc/07/10/32/412071032.db2.gz DYEJXHZEOFTFDQ-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CCCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662279005 412071034 /nfs/dbraw/zinc/07/10/34/412071034.db2.gz DYEJXHZEOFTFDQ-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO [NH3+]CCC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000662285170 412077115 /nfs/dbraw/zinc/07/71/15/412077115.db2.gz YNFCHBNDSQVHCK-LLVKDONJSA-N 1 3 248.317 1.471 20 0 BDADHO CC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)N(C)C ZINC000126395601 171229861 /nfs/dbraw/zinc/22/98/61/171229861.db2.gz PPPCXGGHYXPDPF-VXGBXAGGSA-N 1 3 243.395 1.173 20 0 BDADHO C[NH2+]CCCN1CCCC[C@H]1[C@H](C)CO ZINC000662302125 412089671 /nfs/dbraw/zinc/08/96/71/412089671.db2.gz XDLLNMGCYXPBHG-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000662302125 412089675 /nfs/dbraw/zinc/08/96/75/412089675.db2.gz XDLLNMGCYXPBHG-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000662302125 412089680 /nfs/dbraw/zinc/08/96/80/412089680.db2.gz XDLLNMGCYXPBHG-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CN(c1ccccc1)[C@H]1CCN(CCC[NH3+])C1 ZINC000662314661 412096577 /nfs/dbraw/zinc/09/65/77/412096577.db2.gz AJGZYUPCZQGDDW-AWEZNQCLSA-N 1 3 233.359 1.546 20 0 BDADHO C[NH+](C)CCC[C@H]1CN(CC2CC2)CCO1 ZINC000662318956 412098443 /nfs/dbraw/zinc/09/84/43/412098443.db2.gz CBANCARXSQFTMZ-ZDUSSCGKSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@H](COCC1CC1)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000665236171 412177205 /nfs/dbraw/zinc/17/72/05/412177205.db2.gz ISFBPQQGPRLXOK-NTZNESFSSA-N 1 3 228.380 1.907 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000665238997 412180306 /nfs/dbraw/zinc/18/03/06/412180306.db2.gz JWVOIECIKRKHQL-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000665238997 412180309 /nfs/dbraw/zinc/18/03/09/412180309.db2.gz JWVOIECIKRKHQL-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCCCN1 ZINC000665244247 412185564 /nfs/dbraw/zinc/18/55/64/412185564.db2.gz JQPQULKEJMXKHL-OUAUKWLOSA-N 1 3 248.317 1.531 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(C)CC1(F)F ZINC000665267569 412204710 /nfs/dbraw/zinc/20/47/10/412204710.db2.gz YSNYILBINLNILL-CIUDSAMLSA-N 1 3 206.280 1.747 20 0 BDADHO C[C@H]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265060 412208448 /nfs/dbraw/zinc/20/84/48/412208448.db2.gz OMRKNQAYRKSCJI-BEUHCMRWSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[C@H](C)O1 ZINC000665265117 412208948 /nfs/dbraw/zinc/20/89/48/412208948.db2.gz PRCQIFYBYSHCPM-FIQHERPVSA-N 1 3 214.353 1.659 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267540 412211187 /nfs/dbraw/zinc/21/11/87/412211187.db2.gz YKCZQQIXVXPMID-XWLWVQCSSA-N 1 3 248.317 1.374 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@]1(C)CC1(F)F ZINC000665267540 412211191 /nfs/dbraw/zinc/21/11/91/412211191.db2.gz YKCZQQIXVXPMID-XWLWVQCSSA-N 1 3 248.317 1.374 20 0 BDADHO Cc1cncc(CCN[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000665273781 412213688 /nfs/dbraw/zinc/21/36/88/412213688.db2.gz DFUSNABRKRTYTE-ZJUUUORDSA-N 1 3 222.336 1.043 20 0 BDADHO [NH3+]C1(CC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000662415589 412156673 /nfs/dbraw/zinc/15/66/73/412156673.db2.gz HVGLXNOEAYDUDC-UHFFFAOYSA-N 1 3 245.326 1.152 20 0 BDADHO CC(C)([NH3+])CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662424460 412164284 /nfs/dbraw/zinc/16/42/84/412164284.db2.gz TZNBYMUHVFYCQC-LBPRGKRZSA-N 1 3 247.342 1.075 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(N)c1 ZINC000665232368 412165877 /nfs/dbraw/zinc/16/58/77/412165877.db2.gz LTEGMTVIKICFIJ-SMDDNHRTSA-N 1 3 233.359 1.747 20 0 BDADHO C[C@H](NCCc1noc2ccccc12)C1C[NH2+]C1 ZINC000665232703 412169692 /nfs/dbraw/zinc/16/96/92/412169692.db2.gz RUSVVYKKRYPLBO-JTQLQIEISA-N 1 3 245.326 1.568 20 0 BDADHO C[C@H]([NH2+]CCc1noc2ccccc12)C1CNC1 ZINC000665232703 412169699 /nfs/dbraw/zinc/16/96/99/412169699.db2.gz RUSVVYKKRYPLBO-JTQLQIEISA-N 1 3 245.326 1.568 20 0 BDADHO Nc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000665232597 412170871 /nfs/dbraw/zinc/17/08/71/412170871.db2.gz PXPHDNYFWUBIBN-DGCLKSJQSA-N 1 3 219.332 1.486 20 0 BDADHO C[C@H](N[C@@H]1CCN(C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235868 412174590 /nfs/dbraw/zinc/17/45/90/412174590.db2.gz BHNAJXZDMXYBRG-XQQFMLRXSA-N 1 3 239.407 1.589 20 0 BDADHO C[C@@H](N[C@H]1CCN(C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235864 412174830 /nfs/dbraw/zinc/17/48/30/412174830.db2.gz BHNAJXZDMXYBRG-FRRDWIJNSA-N 1 3 239.407 1.589 20 0 BDADHO C[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1CC1(C)C ZINC000665279923 412224407 /nfs/dbraw/zinc/22/44/07/412224407.db2.gz PKVFFKIQCAIJKH-MSLYCWSTSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@H]1CC1(C)C ZINC000665279923 412224410 /nfs/dbraw/zinc/22/44/10/412224410.db2.gz PKVFFKIQCAIJKH-MSLYCWSTSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](C)O[C@H]1C ZINC000665282408 412227599 /nfs/dbraw/zinc/22/75/99/412227599.db2.gz XPEONEGTZDPBAC-KXNHARMFSA-N 1 3 214.353 1.515 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCC(=O)NC1(C)C ZINC000665282117 412228005 /nfs/dbraw/zinc/22/80/05/412228005.db2.gz RDHABNBVOWSWQN-MNOVXSKESA-N 1 3 241.379 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCCc1ccco1 ZINC000665284021 412228568 /nfs/dbraw/zinc/22/85/68/412228568.db2.gz YVYXYQUUURVWCJ-VXGBXAGGSA-N 1 3 208.305 1.682 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCCc1ccco1 ZINC000665283765 412228760 /nfs/dbraw/zinc/22/87/60/412228760.db2.gz UNKVBYCOXUTSLZ-QWRGUYRKSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1ccco1 ZINC000665283765 412228763 /nfs/dbraw/zinc/22/87/63/412228763.db2.gz UNKVBYCOXUTSLZ-QWRGUYRKSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1nccn1C ZINC000665283919 412229774 /nfs/dbraw/zinc/22/97/74/412229774.db2.gz XCMAIUNVCYVRFV-WDEREUQCSA-N 1 3 224.352 1.588 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOCCF ZINC000665298995 412247889 /nfs/dbraw/zinc/24/78/89/412247889.db2.gz DQCGHZDQONEKSB-GHMZBOCLSA-N 1 3 218.316 1.080 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOCCF ZINC000665298995 412247893 /nfs/dbraw/zinc/24/78/93/412247893.db2.gz DQCGHZDQONEKSB-GHMZBOCLSA-N 1 3 218.316 1.080 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOCCF ZINC000665298996 412247979 /nfs/dbraw/zinc/24/79/79/412247979.db2.gz DQCGHZDQONEKSB-MNOVXSKESA-N 1 3 218.316 1.080 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOCCF ZINC000665298996 412247980 /nfs/dbraw/zinc/24/79/80/412247980.db2.gz DQCGHZDQONEKSB-MNOVXSKESA-N 1 3 218.316 1.080 20 0 BDADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662845498 412319986 /nfs/dbraw/zinc/31/99/86/412319986.db2.gz SXOQHBKYERBFNM-GHMZBOCLSA-N 1 3 241.379 1.055 20 0 BDADHO CCn1cc([C@H](C)[NH2+][C@H](C)CCN(C)C)cn1 ZINC000044500618 172197951 /nfs/dbraw/zinc/19/79/51/172197951.db2.gz BOPNHTQQCWPNCK-NEPJUHHUSA-N 1 3 238.379 1.894 20 0 BDADHO CCn1nccc1CNCC1CC[NH+](C)CC1 ZINC000119084642 172269550 /nfs/dbraw/zinc/26/95/50/172269550.db2.gz UGPJGRFGJZXHTD-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO CN(C)C(C)(C)C[NH2+]C1CCN(C2CC2)CC1 ZINC000310202677 172395430 /nfs/dbraw/zinc/39/54/30/172395430.db2.gz CEKGGNNVWSXWPA-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO CN(CCn1ccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000336686088 173041642 /nfs/dbraw/zinc/04/16/42/173041642.db2.gz FUYGIIGYEJRWOE-ZDUSSCGKSA-N 1 3 236.363 1.157 20 0 BDADHO CN(CCn1ccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336686088 173041645 /nfs/dbraw/zinc/04/16/45/173041645.db2.gz FUYGIIGYEJRWOE-ZDUSSCGKSA-N 1 3 236.363 1.157 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@](O)(C2CC2)C1 ZINC000370085599 173054669 /nfs/dbraw/zinc/05/46/69/173054669.db2.gz WJSCDZYDKCGXHS-KBPBESRZSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@](O)(C2CC2)C1 ZINC000370085599 173054671 /nfs/dbraw/zinc/05/46/71/173054671.db2.gz WJSCDZYDKCGXHS-KBPBESRZSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+]1CC[C@H](NCCn2cccn2)[C@H]2CCC[C@H]21 ZINC000353391231 173152290 /nfs/dbraw/zinc/15/22/90/173152290.db2.gz BILIBESGWFOOQJ-HZSPNIEDSA-N 1 3 248.374 1.346 20 0 BDADHO C[N@H+]1CC[C@H](NCCn2cccn2)[C@H]2CCC[C@H]21 ZINC000353391231 173152292 /nfs/dbraw/zinc/15/22/92/173152292.db2.gz BILIBESGWFOOQJ-HZSPNIEDSA-N 1 3 248.374 1.346 20 0 BDADHO C[N@@H+]1CC[C@H]2CCN(CCCn3ccnc3)[C@H]2C1 ZINC000375245507 173159637 /nfs/dbraw/zinc/15/96/37/173159637.db2.gz SGBCRBHXJULABQ-KBPBESRZSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@H]2CCN(CCCn3ccnc3)[C@H]2C1 ZINC000375245507 173159638 /nfs/dbraw/zinc/15/96/38/173159638.db2.gz SGBCRBHXJULABQ-KBPBESRZSA-N 1 3 248.374 1.299 20 0 BDADHO CNC[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052174676 173378934 /nfs/dbraw/zinc/37/89/34/173378934.db2.gz XVDKDJBJRTZAHH-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000052174676 173378936 /nfs/dbraw/zinc/37/89/36/173378936.db2.gz XVDKDJBJRTZAHH-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC2CCOCC2)C1 ZINC000052174676 173378938 /nfs/dbraw/zinc/37/89/38/173378938.db2.gz XVDKDJBJRTZAHH-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CNCc1cccc(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000296319255 173389946 /nfs/dbraw/zinc/38/99/46/173389946.db2.gz HANSMHSDQSFRKI-CQSZACIVSA-N 1 3 247.342 1.344 20 0 BDADHO COC1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000300214961 174018923 /nfs/dbraw/zinc/01/89/23/174018923.db2.gz ALDXNUPTUNRCHO-IGJPJIBNSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300214961 174018926 /nfs/dbraw/zinc/01/89/26/174018926.db2.gz ALDXNUPTUNRCHO-IGJPJIBNSA-N 1 3 224.348 1.380 20 0 BDADHO COCCCCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000336745064 174180484 /nfs/dbraw/zinc/18/04/84/174180484.db2.gz QMJXUTWMQSSCLL-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000336745064 174180487 /nfs/dbraw/zinc/18/04/87/174180487.db2.gz QMJXUTWMQSSCLL-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCC[NH+]1CCC(N(C)C)CC1 ZINC000118000471 174190127 /nfs/dbraw/zinc/19/01/27/174190127.db2.gz ODGXDSFAUVQYDV-UHFFFAOYSA-N 1 3 214.353 1.439 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCCO1)C2 ZINC000383505849 487631050 /nfs/dbraw/zinc/63/10/50/487631050.db2.gz FXPWIPXIXAXWSH-MJBXVCDLSA-N 1 3 238.375 1.616 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCCO1)C2 ZINC000383505849 487631058 /nfs/dbraw/zinc/63/10/58/487631058.db2.gz FXPWIPXIXAXWSH-MJBXVCDLSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000128562597 176227352 /nfs/dbraw/zinc/22/73/52/176227352.db2.gz KGRROGCMFNPWFZ-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000128562597 176227354 /nfs/dbraw/zinc/22/73/54/176227354.db2.gz KGRROGCMFNPWFZ-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000309657761 176340665 /nfs/dbraw/zinc/34/06/65/176340665.db2.gz AHOMNORDUJCSIM-YPMHNXCESA-N 1 3 224.348 1.263 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c[nH]nc21 ZINC000334143247 176368077 /nfs/dbraw/zinc/36/80/77/176368077.db2.gz RAPFSMSVVRMCSR-MNOVXSKESA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCOCC2(C)C)CC[NH2+]1 ZINC000235381711 176369288 /nfs/dbraw/zinc/36/92/88/176369288.db2.gz ANNDEBCMAWPCFP-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1C ZINC000336694842 176374964 /nfs/dbraw/zinc/37/49/64/176374964.db2.gz NPHZPYOTZJYICL-IJLUTSLNSA-N 1 3 214.353 1.199 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CCN1C ZINC000353632652 176379637 /nfs/dbraw/zinc/37/96/37/176379637.db2.gz UBIIFHVCKHTDTK-UTUOFQBUSA-N 1 3 248.374 1.339 20 0 BDADHO C[C@H](c1cccnc1)N1CCC(C[NH3+])CC1 ZINC000044511634 177044500 /nfs/dbraw/zinc/04/45/00/177044500.db2.gz JWWCISZNVFKSOW-LLVKDONJSA-N 1 3 219.332 1.813 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000133272111 177254933 /nfs/dbraw/zinc/25/49/33/177254933.db2.gz WJPBEEFZFZURDJ-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCCCF ZINC000308506265 177324521 /nfs/dbraw/zinc/32/45/21/177324521.db2.gz YZNINTOJZAPXET-QWRGUYRKSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCCCF ZINC000308506265 177324522 /nfs/dbraw/zinc/32/45/22/177324522.db2.gz YZNINTOJZAPXET-QWRGUYRKSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1C[C@@H](NCCNc2ccccn2)CC[N@@H+]1C ZINC000268996055 177332179 /nfs/dbraw/zinc/33/21/79/177332179.db2.gz NRGJTDSLZHJIJB-STQMWFEESA-N 1 3 248.374 1.566 20 0 BDADHO C[C@H]1C[C@@H](NCCNc2ccccn2)CC[N@H+]1C ZINC000268996055 177332181 /nfs/dbraw/zinc/33/21/81/177332181.db2.gz NRGJTDSLZHJIJB-STQMWFEESA-N 1 3 248.374 1.566 20 0 BDADHO COC[C@]1(C)CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000487046471 225283514 /nfs/dbraw/zinc/28/35/14/225283514.db2.gz QHQMUAURKRZCIL-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@]1(C)CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000487046471 225283516 /nfs/dbraw/zinc/28/35/16/225283516.db2.gz QHQMUAURKRZCIL-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335832502 487667963 /nfs/dbraw/zinc/66/79/63/487667963.db2.gz CRMNAGBCQDUXIO-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335832502 487667966 /nfs/dbraw/zinc/66/79/66/487667966.db2.gz CRMNAGBCQDUXIO-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335832502 487667970 /nfs/dbraw/zinc/66/79/70/487667970.db2.gz CRMNAGBCQDUXIO-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCc1cncn1C ZINC000314899757 487670286 /nfs/dbraw/zinc/67/02/86/487670286.db2.gz NFIBPAIYIDAVCX-VXGBXAGGSA-N 1 3 236.363 1.164 20 0 BDADHO C[N@H+](CCCN)CCc1ccc2c(c1)CCO2 ZINC000088100644 487703194 /nfs/dbraw/zinc/70/31/94/487703194.db2.gz HIMKIBMJWAPSSM-UHFFFAOYSA-N 1 3 234.343 1.445 20 0 BDADHO C[N@@H+](CCCN)CCc1ccc2c(c1)CCO2 ZINC000088100644 487703200 /nfs/dbraw/zinc/70/32/00/487703200.db2.gz HIMKIBMJWAPSSM-UHFFFAOYSA-N 1 3 234.343 1.445 20 0 BDADHO CC(C)(O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250366624 487730783 /nfs/dbraw/zinc/73/07/83/487730783.db2.gz PATZABMBWIVXPY-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@H]1CN(CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251679200 487788912 /nfs/dbraw/zinc/78/89/12/487788912.db2.gz HVBFUIDPJCYZCG-UONOGXRCSA-N 1 3 233.359 1.683 20 0 BDADHO CN(CCN1CCCCC1)C[C@@H]1CCC[NH2+]C1 ZINC000234308959 487799165 /nfs/dbraw/zinc/79/91/65/487799165.db2.gz CKAOFGNEBFGJEY-CQSZACIVSA-N 1 3 239.407 1.404 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@@H]1COc2ccccc2C1 ZINC000415088455 487809378 /nfs/dbraw/zinc/80/93/78/487809378.db2.gz XNWNMAFJVVBENR-KBPBESRZSA-N 1 3 248.370 1.953 20 0 BDADHO CC(C)C[C@@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156059021 487809449 /nfs/dbraw/zinc/80/94/49/487809449.db2.gz QNPCSHOMKHONFJ-MELADBBJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156059021 487809453 /nfs/dbraw/zinc/80/94/53/487809453.db2.gz QNPCSHOMKHONFJ-MELADBBJSA-N 1 3 240.391 1.610 20 0 BDADHO NC[C@H](NCCC[NH3+])c1ccc2ccccc2c1 ZINC000414951503 487831169 /nfs/dbraw/zinc/83/11/69/487831169.db2.gz JCJMFDDQDFURBZ-HNNXBMFYSA-N 1 3 243.354 1.778 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H](C)COC)CC[C@H]1N ZINC000253110042 487851359 /nfs/dbraw/zinc/85/13/59/487851359.db2.gz GAWKFIDWUXGHQU-IJLUTSLNSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H](C)COC)CC[C@H]1N ZINC000253110042 487851365 /nfs/dbraw/zinc/85/13/65/487851365.db2.gz GAWKFIDWUXGHQU-IJLUTSLNSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1CN(C[C@@H](C)COC)CC[C@H]1[NH3+] ZINC000253110042 487851369 /nfs/dbraw/zinc/85/13/69/487851369.db2.gz GAWKFIDWUXGHQU-IJLUTSLNSA-N 1 3 214.353 1.328 20 0 BDADHO [NH3+]CCCN1CCc2ccc(O)cc2CC1 ZINC000666689599 487860857 /nfs/dbraw/zinc/86/08/57/487860857.db2.gz OQUHPMFDQAFNRV-UHFFFAOYSA-N 1 3 220.316 1.142 20 0 BDADHO CCSCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129059472 487875743 /nfs/dbraw/zinc/87/57/43/487875743.db2.gz GMZFJCFKEPLYBU-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO CCSCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129059472 487875751 /nfs/dbraw/zinc/87/57/51/487875751.db2.gz GMZFJCFKEPLYBU-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)CO1 ZINC000403799444 487889006 /nfs/dbraw/zinc/88/90/06/487889006.db2.gz DYKNGEOJCKJKGV-AAVRWANBSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H](CC(C)C)N[C@H]1CCC[NH2+]CC1 ZINC000666857869 487891667 /nfs/dbraw/zinc/89/16/67/487891667.db2.gz NFVFPDYZGKXZTR-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@H]1CCCNCC1 ZINC000666857869 487891671 /nfs/dbraw/zinc/89/16/71/487891671.db2.gz NFVFPDYZGKXZTR-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCCNCC1 ZINC000666857664 487892321 /nfs/dbraw/zinc/89/23/21/487892321.db2.gz DIWULLMDQAJWAE-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]([NH3+])CNC[C@@H]1CCOc2ccccc21 ZINC000666910456 487901619 /nfs/dbraw/zinc/90/16/19/487901619.db2.gz PBWLQCZWHXQESP-NWDGAFQWSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC[C@@H]1CCOc2ccccc21 ZINC000666930223 487907621 /nfs/dbraw/zinc/90/76/21/487907621.db2.gz ANKQAKYHGFSFDO-SRVKXCTJSA-N 1 3 234.343 1.878 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367071 487910826 /nfs/dbraw/zinc/91/08/26/487910826.db2.gz WZTRCIHZRCNMBQ-STQMWFEESA-N 1 3 238.375 1.759 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995652 487920789 /nfs/dbraw/zinc/92/07/89/487920789.db2.gz VJJBDOIODONTIF-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995652 487920792 /nfs/dbraw/zinc/92/07/92/487920792.db2.gz VJJBDOIODONTIF-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO CCNCCC[NH2+]C1CCSCC1 ZINC000566555721 323004786 /nfs/dbraw/zinc/00/47/86/323004786.db2.gz TVLKOGJZHWCUCN-UHFFFAOYSA-N 1 3 202.367 1.471 20 0 BDADHO CC[NH2+]CCCNC1CCSCC1 ZINC000566555721 323004787 /nfs/dbraw/zinc/00/47/87/323004787.db2.gz TVLKOGJZHWCUCN-UHFFFAOYSA-N 1 3 202.367 1.471 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC12CCOCC2)CN(C)C ZINC000562342274 323016962 /nfs/dbraw/zinc/01/69/62/323016962.db2.gz PJONDIUBSGNWCP-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000569825392 323041931 /nfs/dbraw/zinc/04/19/31/323041931.db2.gz PGGASKYVOKUKRB-NEPJUHHUSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000569825393 323042013 /nfs/dbraw/zinc/04/20/13/323042013.db2.gz PGGASKYVOKUKRB-NWDGAFQWSA-N 1 3 241.379 1.008 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCOCC1CCC1 ZINC000570389077 323058141 /nfs/dbraw/zinc/05/81/41/323058141.db2.gz OWHCBUHZWOMDQV-CHWSQXEVSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000570389077 323058142 /nfs/dbraw/zinc/05/81/42/323058142.db2.gz OWHCBUHZWOMDQV-CHWSQXEVSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000570422907 323059075 /nfs/dbraw/zinc/05/90/75/323059075.db2.gz JJVPIOGTQNBZKW-RYUDHWBXSA-N 1 3 244.342 1.698 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649965 323066138 /nfs/dbraw/zinc/06/61/38/323066138.db2.gz NPRIAOCWJDODMP-STQMWFEESA-N 1 3 240.391 1.789 20 0 BDADHO CC[C@H](C)N1CCC([NH2+]CCOC)CC1 ZINC000570689407 323067229 /nfs/dbraw/zinc/06/72/29/323067229.db2.gz MMMUIXZRMAFZPU-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO Cc1nc(CNCCCC[NH+](C)C)[nH]c1C ZINC000570816052 323071633 /nfs/dbraw/zinc/07/16/33/323071633.db2.gz HQWIAMDIPXTXJH-UHFFFAOYSA-N 1 3 224.352 1.458 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000221797854 323096723 /nfs/dbraw/zinc/09/67/23/323096723.db2.gz DOMINLNBDMUOLY-JSGCOSHPSA-N 1 3 239.407 1.543 20 0 BDADHO COCCC1CCN(CCC[NH3+])CC1 ZINC000409427585 323099359 /nfs/dbraw/zinc/09/93/59/323099359.db2.gz KXLSZANKTJULID-UHFFFAOYSA-N 1 3 200.326 1.084 20 0 BDADHO CN(C)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563429681 323125045 /nfs/dbraw/zinc/12/50/45/323125045.db2.gz KYRBGVAFJAIGHO-QWHCGFSZSA-N 1 3 248.374 1.507 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC12CCOCC2 ZINC000563616187 323131673 /nfs/dbraw/zinc/13/16/73/323131673.db2.gz NYGSYTIBPQIJKI-JHJVBQTASA-N 1 3 238.375 1.533 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)Cc2ccccc2)C1 ZINC000571416566 323144330 /nfs/dbraw/zinc/14/43/30/323144330.db2.gz GQYMPYXRLDRSHO-ILXRZTDVSA-N 1 3 248.370 1.450 20 0 BDADHO CCNC(=O)C(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571417975 323144478 /nfs/dbraw/zinc/14/44/78/323144478.db2.gz QFJBDVOSNPIHJK-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000571417975 323144479 /nfs/dbraw/zinc/14/44/79/323144479.db2.gz QFJBDVOSNPIHJK-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](Cc1ccsc1)NC[C@@H](O)C[NH+](C)C ZINC000049181705 323158537 /nfs/dbraw/zinc/15/85/37/323158537.db2.gz WVKNHRIIIOBUSN-ZYHUDNBSSA-N 1 3 242.388 1.191 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818078 323178967 /nfs/dbraw/zinc/17/89/67/323178967.db2.gz JABSSSYPGHBWEX-SKDRFNHKSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+](C)C)[C@@H](C)O1 ZINC000395014596 323185116 /nfs/dbraw/zinc/18/51/16/323185116.db2.gz NBFXKBCXZGOVLG-GMTAPVOTSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@H](NCC12CC(C1)CO2)[C@H]1CCC[NH2+]C1 ZINC000530218337 323217655 /nfs/dbraw/zinc/21/76/55/323217655.db2.gz FMSDWQNSUOJTBO-QCXCNERSSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCCNC1 ZINC000530218337 323217657 /nfs/dbraw/zinc/21/76/57/323217657.db2.gz FMSDWQNSUOJTBO-QCXCNERSSA-N 1 3 224.348 1.143 20 0 BDADHO CC[NH2+]CCCN[C@@H](COC)C(C)C ZINC000515828727 324115718 /nfs/dbraw/zinc/11/57/18/324115718.db2.gz DLJWLLCZPLDHDB-NSHDSACASA-N 1 3 202.342 1.247 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000572497342 324134177 /nfs/dbraw/zinc/13/41/77/324134177.db2.gz LPQVIYNSHPYTGX-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2cn(C)nc2c1 ZINC000530219016 324537412 /nfs/dbraw/zinc/53/74/12/324537412.db2.gz OOKKEVLGDAJSLE-WDEREUQCSA-N 1 3 246.358 1.789 20 0 BDADHO C[C@@H](CN(C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130126951 325016424 /nfs/dbraw/zinc/01/64/24/325016424.db2.gz VFEZPABTLHQQFR-RWMBFGLXSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN(C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130126951 325016426 /nfs/dbraw/zinc/01/64/26/325016426.db2.gz VFEZPABTLHQQFR-RWMBFGLXSA-N 1 3 225.380 1.153 20 0 BDADHO CC1(C)CN(C[C@@H]2CC[NH2+]C2)CCS1 ZINC000158592433 487968301 /nfs/dbraw/zinc/96/83/01/487968301.db2.gz ASYVUNWSLQITKZ-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO CC(C)NCCC[NH2+][C@@H]1CCCOCC1 ZINC000564822860 325812427 /nfs/dbraw/zinc/81/24/27/325812427.db2.gz OJPVSWYSLVWPFB-GFCCVEGCSA-N 1 3 214.353 1.533 20 0 BDADHO CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000566648782 326068814 /nfs/dbraw/zinc/06/88/14/326068814.db2.gz CVCSRHHNYLDSAL-MJBXVCDLSA-N 1 3 241.423 1.787 20 0 BDADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000567839035 326267880 /nfs/dbraw/zinc/26/78/80/326267880.db2.gz NKXSRLWHOQDCDM-SECBINFHSA-N 1 3 233.315 1.224 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCCC[NH2+]C(C)C ZINC000568737892 326374197 /nfs/dbraw/zinc/37/41/97/326374197.db2.gz BQZZLKBHETXUQV-GFCCVEGCSA-N 1 3 229.368 1.008 20 0 BDADHO CSCC[C@H](CO)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000568856578 326379487 /nfs/dbraw/zinc/37/94/87/326379487.db2.gz YLPRFFMRCOMSJL-GRYCIOLGSA-N 1 3 246.420 1.078 20 0 BDADHO CSCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000568856578 326379489 /nfs/dbraw/zinc/37/94/89/326379489.db2.gz YLPRFFMRCOMSJL-GRYCIOLGSA-N 1 3 246.420 1.078 20 0 BDADHO CC[NH+]1CCC(CN[C@@H](C)c2ncc[nH]2)CC1 ZINC000572906931 326418572 /nfs/dbraw/zinc/41/85/72/326418572.db2.gz VQVQKXBLDBGRSO-NSHDSACASA-N 1 3 236.363 1.792 20 0 BDADHO O[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717716 488024899 /nfs/dbraw/zinc/02/48/99/488024899.db2.gz YNKOETKRZPBNII-HZSPNIEDSA-N 1 3 238.375 1.079 20 0 BDADHO C[NH+](C)[C@@H]1CCN(c2nccc3[nH]ccc32)C1 ZINC000663537299 488061394 /nfs/dbraw/zinc/06/13/94/488061394.db2.gz GAZQUUJLGHUCBH-SNVBAGLBSA-N 1 3 230.315 1.703 20 0 BDADHO C[C@H](COCC1CC1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656200636 488066630 /nfs/dbraw/zinc/06/66/30/488066630.db2.gz SREYKBRNBRJMGJ-RTXFEEFZSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](CO)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000121056395 490074675 /nfs/dbraw/zinc/07/46/75/490074675.db2.gz ACBLEKYSOAQDEA-ZIAGYGMSSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@H](CO)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000121056395 490074678 /nfs/dbraw/zinc/07/46/78/490074678.db2.gz ACBLEKYSOAQDEA-ZIAGYGMSSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@H](CO)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000121056395 490074679 /nfs/dbraw/zinc/07/46/79/490074679.db2.gz ACBLEKYSOAQDEA-ZIAGYGMSSA-N 1 3 240.391 1.423 20 0 BDADHO CCCn1nccc1CNCCCC[NH+](C)C ZINC000160128166 488108856 /nfs/dbraw/zinc/10/88/56/488108856.db2.gz LGBPYJZDGFPUBX-UHFFFAOYSA-N 1 3 238.379 1.725 20 0 BDADHO NCc1cccc(NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000669508414 488108927 /nfs/dbraw/zinc/10/89/27/488108927.db2.gz UTTBBQGYUMWGIN-LBPRGKRZSA-N 1 3 247.342 1.616 20 0 BDADHO C[NH+](C)CCCN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667763019 488111345 /nfs/dbraw/zinc/11/13/45/488111345.db2.gz NONSFHHGHDUNGE-NWDGAFQWSA-N 1 3 212.337 1.095 20 0 BDADHO CNCCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403271930 488120405 /nfs/dbraw/zinc/12/04/05/488120405.db2.gz KKURHXOGCKMKCO-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO CNCCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403271930 488120410 /nfs/dbraw/zinc/12/04/10/488120410.db2.gz KKURHXOGCKMKCO-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403271930 488120414 /nfs/dbraw/zinc/12/04/14/488120414.db2.gz KKURHXOGCKMKCO-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302562 487554906 /nfs/dbraw/zinc/55/49/06/487554906.db2.gz ODKFQALZJDVPKP-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302562 487554907 /nfs/dbraw/zinc/55/49/07/487554907.db2.gz ODKFQALZJDVPKP-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)C1CCCC1 ZINC000662266431 487502301 /nfs/dbraw/zinc/50/23/01/487502301.db2.gz YZCZLOVVKCDGMO-YRGRVCCFSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)C1CCCC1 ZINC000662266431 487502310 /nfs/dbraw/zinc/50/23/10/487502310.db2.gz YZCZLOVVKCDGMO-YRGRVCCFSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381474388 487509839 /nfs/dbraw/zinc/50/98/39/487509839.db2.gz PYNIRNBBBGPSTE-NDBYEHHHSA-N 1 3 208.349 1.703 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381474388 487509842 /nfs/dbraw/zinc/50/98/42/487509842.db2.gz PYNIRNBBBGPSTE-NDBYEHHHSA-N 1 3 208.349 1.703 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667927904 488161324 /nfs/dbraw/zinc/16/13/24/488161324.db2.gz JVJUTJJAMKDIHT-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)n1 ZINC000666952044 487890444 /nfs/dbraw/zinc/89/04/44/487890444.db2.gz DCIJLRFSEQEPGB-CYBMUJFWSA-N 1 3 247.342 1.327 20 0 BDADHO CCN1CCN(c2cc[nH+]c(C)c2)C[C@H]1C ZINC000681393048 488002674 /nfs/dbraw/zinc/00/26/74/488002674.db2.gz YQMVVCACOBYEBR-GFCCVEGCSA-N 1 3 219.332 1.920 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCCC[C@H]1C ZINC000379889105 488154280 /nfs/dbraw/zinc/15/42/80/488154280.db2.gz ADRDSKJYWXIRQL-KGLIPLIRSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCCC[C@H]1C ZINC000379889105 488154282 /nfs/dbraw/zinc/15/42/82/488154282.db2.gz ADRDSKJYWXIRQL-KGLIPLIRSA-N 1 3 242.407 1.952 20 0 BDADHO CC[C@@H](C)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000379855768 488154674 /nfs/dbraw/zinc/15/46/74/488154674.db2.gz BZDFGLUQKGDQFI-VXGBXAGGSA-N 1 3 216.369 1.418 20 0 BDADHO CC[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000379855768 488154678 /nfs/dbraw/zinc/15/46/78/488154678.db2.gz BZDFGLUQKGDQFI-VXGBXAGGSA-N 1 3 216.369 1.418 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667924286 488159541 /nfs/dbraw/zinc/15/95/41/488159541.db2.gz LAFYIWPMNOMJKP-UONOGXRCSA-N 1 3 236.359 1.405 20 0 BDADHO CCN(CC)CC(=O)N(C)CCCC[NH+](C)C ZINC000673841380 488309679 /nfs/dbraw/zinc/30/96/79/488309679.db2.gz VBOKPOUDYSHQJO-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO CC[C@@H](CC(F)F)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851293 490093300 /nfs/dbraw/zinc/09/33/00/490093300.db2.gz YPHSSMYOJJSZOB-GARJFASQSA-N 1 3 232.318 1.819 20 0 BDADHO C[NH+]1CCC(C)(CNCc2cncnc2)CC1 ZINC000227330074 491058789 /nfs/dbraw/zinc/05/87/89/491058789.db2.gz NMRWYEXVNMNIHP-UHFFFAOYSA-N 1 3 234.347 1.298 20 0 BDADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000124803274 491128598 /nfs/dbraw/zinc/12/85/98/491128598.db2.gz IKDFTZFNJXQBIR-SNVBAGLBSA-N 1 3 222.336 1.402 20 0 BDADHO CC1(C[NH+]2CCC(N3CC[C@@H](O)C3)CC2)CC1 ZINC000668739018 491133120 /nfs/dbraw/zinc/13/31/20/491133120.db2.gz IOEDNRKRENWGHQ-CYBMUJFWSA-N 1 3 238.375 1.318 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC(N)C2)CC1 ZINC001172778093 974938692 /nfs/dbraw/zinc/93/86/92/974938692.db2.gz STWWPJPVHXQLQY-UZEXVOJHSA-N 1 3 240.347 1.188 20 0 BDADHO CC[C@](C)(O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000177961330 535856035 /nfs/dbraw/zinc/85/60/35/535856035.db2.gz HFLYEFZORAIVCF-AWEZNQCLSA-N 1 3 242.407 2.000 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000251741139 535859518 /nfs/dbraw/zinc/85/95/18/535859518.db2.gz KWAUYNQQCLGETK-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H]1C[N@H+](CC2CCN(C)CC2)CCCO1 ZINC000891916771 582737768 /nfs/dbraw/zinc/73/77/68/582737768.db2.gz ORUFWEMLUZATNR-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1C[N@@H+](CC2CCN(C)CC2)CCCO1 ZINC000891916771 582737770 /nfs/dbraw/zinc/73/77/70/582737770.db2.gz ORUFWEMLUZATNR-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1OCCN(CC2CC[NH+](C)CC2)[C@H]1C ZINC000892048173 582773506 /nfs/dbraw/zinc/77/35/06/582773506.db2.gz IAZZORHYRIOUPK-RYUDHWBXSA-N 1 3 226.364 1.437 20 0 BDADHO Cc1cc(N)nc(N[C@H](C)CC[NH+](C)C)n1 ZINC000892086772 582788142 /nfs/dbraw/zinc/78/81/42/582788142.db2.gz YTCYAENUWKSUCP-MRVPVSSYSA-N 1 3 223.324 1.119 20 0 BDADHO COC[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261635938 536523585 /nfs/dbraw/zinc/52/35/85/536523585.db2.gz FHHVENLPVHAKPQ-YUELXQCFSA-N 1 3 248.370 1.696 20 0 BDADHO COC[C@@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261635938 536523592 /nfs/dbraw/zinc/52/35/92/536523592.db2.gz FHHVENLPVHAKPQ-YUELXQCFSA-N 1 3 248.370 1.696 20 0 BDADHO COC[C@@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261635938 536523597 /nfs/dbraw/zinc/52/35/97/536523597.db2.gz FHHVENLPVHAKPQ-YUELXQCFSA-N 1 3 248.370 1.696 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)CN(CC)CC ZINC000174637769 527966813 /nfs/dbraw/zinc/96/68/13/527966813.db2.gz LGHHFDLJMPCPLE-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)CN(CC)CC ZINC000174637769 527966814 /nfs/dbraw/zinc/96/68/14/527966814.db2.gz LGHHFDLJMPCPLE-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CC1(C)NCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000335646744 534986436 /nfs/dbraw/zinc/98/64/36/534986436.db2.gz MILUSJLVGCIJMV-VHSXEESVSA-N 1 3 214.378 1.470 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252715106 535002771 /nfs/dbraw/zinc/00/27/71/535002771.db2.gz UQXNHCAEHLGUFP-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CC[NH2+]CC1CCN(CCCC(=O)OC)CC1 ZINC000113656311 535458827 /nfs/dbraw/zinc/45/88/27/535458827.db2.gz WVWIEERVIZBXEY-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000261530555 535512715 /nfs/dbraw/zinc/51/27/15/535512715.db2.gz CQVGNIDIAYOOEC-VPOLOUISSA-N 1 3 214.353 1.515 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[NH2+]C(C)(C)C ZINC000262712833 535527596 /nfs/dbraw/zinc/52/75/96/535527596.db2.gz SDYHSAXTZHQQTL-GFCCVEGCSA-N 1 3 229.368 1.008 20 0 BDADHO CCN(CC)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249794518 535541091 /nfs/dbraw/zinc/54/10/91/535541091.db2.gz ADOQIVYVOHPQBD-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO CCN(CC)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249794518 535541097 /nfs/dbraw/zinc/54/10/97/535541097.db2.gz ADOQIVYVOHPQBD-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCCCF)C1 ZINC000351758797 535944084 /nfs/dbraw/zinc/94/40/84/535944084.db2.gz QVOVNZYKXQAZAS-NSHDSACASA-N 1 3 202.317 1.620 20 0 BDADHO C[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC000261859271 536401305 /nfs/dbraw/zinc/40/13/05/536401305.db2.gz YENNNXAKOJNSTR-LLVKDONJSA-N 1 3 249.358 1.086 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000222971080 583179614 /nfs/dbraw/zinc/17/96/14/583179614.db2.gz NBKANAZULQYDFC-MGPQQGTHSA-N 1 3 239.407 1.720 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@@H](C)C[NH2+]C)CCO1 ZINC000853249714 588728922 /nfs/dbraw/zinc/72/89/22/588728922.db2.gz UTDKWYFZFLUKRE-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCC1SCCS1 ZINC000854231940 588781622 /nfs/dbraw/zinc/78/16/22/588781622.db2.gz POZWICSCLVWWAS-RKDXNWHRSA-N 1 3 232.418 1.652 20 0 BDADHO CN(CCOCC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 ZINC000846221349 582653172 /nfs/dbraw/zinc/65/31/72/582653172.db2.gz BZTNIGZXNAUHPD-ZIAGYGMSSA-N 1 3 234.343 1.450 20 0 BDADHO OCc1cnccc1NCC[NH+]1CCCCCC1 ZINC000891759660 582717178 /nfs/dbraw/zinc/71/71/78/582717178.db2.gz BMKMMIBCEVXESD-UHFFFAOYSA-N 1 3 249.358 1.284 20 0 BDADHO C[C@@H](C[NH+]1CCCCC1)Nc1ccncc1CO ZINC000891793160 582721745 /nfs/dbraw/zinc/72/17/45/582721745.db2.gz MXWROKTYLAEBMB-LBPRGKRZSA-N 1 3 249.358 1.282 20 0 BDADHO C[C@@H]1CCCC[N@@H+]1CCNc1ccncc1CO ZINC000891838913 582728730 /nfs/dbraw/zinc/72/87/30/582728730.db2.gz XKRCSENTQSEVLL-GFCCVEGCSA-N 1 3 249.358 1.282 20 0 BDADHO C[C@@H]1CCCC[N@H+]1CCNc1ccncc1CO ZINC000891838913 582728733 /nfs/dbraw/zinc/72/87/33/582728733.db2.gz XKRCSENTQSEVLL-GFCCVEGCSA-N 1 3 249.358 1.282 20 0 BDADHO CC1=CC[N@H+](CC2CCN(C)CC2)CC1 ZINC000892070459 582785367 /nfs/dbraw/zinc/78/53/67/582785367.db2.gz SWBVUPYBXFBPNV-UHFFFAOYSA-N 1 3 208.349 1.980 20 0 BDADHO CC1=CC[N@@H+](CC2CCN(C)CC2)CC1 ZINC000892070459 582785370 /nfs/dbraw/zinc/78/53/70/582785370.db2.gz SWBVUPYBXFBPNV-UHFFFAOYSA-N 1 3 208.349 1.980 20 0 BDADHO CC(C)[NH2+][C@@H]1CCCN(c2ccncc2CO)C1 ZINC000892176545 582805070 /nfs/dbraw/zinc/80/50/70/582805070.db2.gz WGYTZUUARVRDTC-CYBMUJFWSA-N 1 3 249.358 1.541 20 0 BDADHO COc1ccc(CNCC2CC[NH+](C)CC2)nc1 ZINC000892944374 583014371 /nfs/dbraw/zinc/01/43/71/583014371.db2.gz PZONKHASRQGCDY-UHFFFAOYSA-N 1 3 249.358 1.522 20 0 BDADHO C/C=C\C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893660810 583189411 /nfs/dbraw/zinc/18/94/11/583189411.db2.gz KSLIKMSZOJKPND-CMGMWTMYSA-N 1 3 238.375 1.528 20 0 BDADHO C/C=C\C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893660810 583189414 /nfs/dbraw/zinc/18/94/14/583189414.db2.gz KSLIKMSZOJKPND-CMGMWTMYSA-N 1 3 238.375 1.528 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)[C@@H](C)O1 ZINC000893888605 583244108 /nfs/dbraw/zinc/24/41/08/583244108.db2.gz KPRGVRGOJDUPGD-FRRDWIJNSA-N 1 3 240.391 1.826 20 0 BDADHO Cc1cc(N)nc(NCCCC[N@@H+](C)C2CC2)n1 ZINC000894140647 583316844 /nfs/dbraw/zinc/31/68/44/583316844.db2.gz DHHDRLQZPKLHAN-UHFFFAOYSA-N 1 3 249.362 1.654 20 0 BDADHO Cc1cc(N)nc(NCCCC[N@H+](C)C2CC2)n1 ZINC000894140647 583316846 /nfs/dbraw/zinc/31/68/46/583316846.db2.gz DHHDRLQZPKLHAN-UHFFFAOYSA-N 1 3 249.362 1.654 20 0 BDADHO CO[C@@H]1CC[N@H+](CC2CCN(C)CC2)C[C@@H]1C ZINC000894720304 583512526 /nfs/dbraw/zinc/51/25/26/583512526.db2.gz UUUYSAIKXOPZCX-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@@H]1C ZINC000894720304 583512528 /nfs/dbraw/zinc/51/25/28/583512528.db2.gz UUUYSAIKXOPZCX-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO COC[C@@H]1CCCC[N@@H+]1CC1CCN(C)CC1 ZINC000894784825 583521473 /nfs/dbraw/zinc/52/14/73/583521473.db2.gz QOOCRTXBWCICCJ-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H]1CCCC[N@H+]1CC1CCN(C)CC1 ZINC000894784825 583521475 /nfs/dbraw/zinc/52/14/75/583521475.db2.gz QOOCRTXBWCICCJ-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H](CC[NH2+]Cc1ccc(=O)[nH]c1)N(C)C ZINC000895292352 583638871 /nfs/dbraw/zinc/63/88/71/583638871.db2.gz PQWKUOKRMSVSBP-SNVBAGLBSA-N 1 3 223.320 1.217 20 0 BDADHO C[C@@H](CC[NH2+]C1CC(n2cccn2)C1)N(C)C ZINC000895293753 583639481 /nfs/dbraw/zinc/63/94/81/583639481.db2.gz PIBPUVJHVCJXCJ-HIFPTAJRSA-N 1 3 236.363 1.516 20 0 BDADHO C[C@@H](CCNC1CC(n2cccn2)C1)[NH+](C)C ZINC000895293753 583639483 /nfs/dbraw/zinc/63/94/83/583639483.db2.gz PIBPUVJHVCJXCJ-HIFPTAJRSA-N 1 3 236.363 1.516 20 0 BDADHO C[C@H](CCN[C@@H](C)Cc1cnccn1)[NH+](C)C ZINC000895293823 583639504 /nfs/dbraw/zinc/63/95/04/583639504.db2.gz ROAZHOHNRXDUMA-NWDGAFQWSA-N 1 3 236.363 1.337 20 0 BDADHO C[C@H](CC[NH2+][C@@H](C)Cc1cnccn1)N(C)C ZINC000895293823 583639506 /nfs/dbraw/zinc/63/95/06/583639506.db2.gz ROAZHOHNRXDUMA-NWDGAFQWSA-N 1 3 236.363 1.337 20 0 BDADHO [NH3+]CC[C@H]1CCCN(C/C=C\Cl)C1 ZINC000216613678 583897952 /nfs/dbraw/zinc/89/79/52/583897952.db2.gz JTOHZEBWKOOZBW-XJIUSYNZSA-N 1 3 202.729 1.800 20 0 BDADHO C[C@@H](CC[NH+](C)C)Nc1ccnc(CO)c1 ZINC000858370353 588949419 /nfs/dbraw/zinc/94/94/19/588949419.db2.gz SGZGZUBEUQDUFC-JTQLQIEISA-N 1 3 223.320 1.326 20 0 BDADHO Clc1ncccc1CNCC[C@H]1CC[NH2+]C1 ZINC000841036865 584070364 /nfs/dbraw/zinc/07/03/64/584070364.db2.gz PWKKMHFESURNCV-SNVBAGLBSA-N 1 3 239.750 1.824 20 0 BDADHO CCC[NH+]1CCC(NCC[C@H](O)C2CC2)CC1 ZINC000898202660 584089302 /nfs/dbraw/zinc/08/93/02/584089302.db2.gz KMMCHBTXHSDWEJ-AWEZNQCLSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(O)CN1CCC([NH2+]C/C=C/Cl)CC1 ZINC000898427752 584132919 /nfs/dbraw/zinc/13/29/19/584132919.db2.gz FHPWRKZAPNQJED-ZZXKWVIFSA-N 1 3 246.782 1.564 20 0 BDADHO C[C@@H](CCO)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490081 588960329 /nfs/dbraw/zinc/96/03/29/588960329.db2.gz AXOUBGPBPJTZEJ-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](NC(=[NH2+])NCCN1CC[C@@H](C)C1)C1CC1 ZINC000899267642 584193202 /nfs/dbraw/zinc/19/32/02/584193202.db2.gz RAKJFNDXXCNUQQ-GHMZBOCLSA-N 1 3 238.379 1.241 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCNCC(C)(C)C2)CCOC1 ZINC000902321934 584551673 /nfs/dbraw/zinc/55/16/73/584551673.db2.gz ZFNYMNSDBDTNJX-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902335839 584564281 /nfs/dbraw/zinc/56/42/81/584564281.db2.gz CHJFDVCHYPMLCI-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO COC[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369861 584566170 /nfs/dbraw/zinc/56/61/70/584566170.db2.gz MOXZNHBDRCLLON-NEPJUHHUSA-N 1 3 244.379 1.016 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902358093 584570631 /nfs/dbraw/zinc/57/06/31/584570631.db2.gz AOOXZQRYDKHLCC-LBPRGKRZSA-N 1 3 242.407 1.905 20 0 BDADHO CCC(O)(CC)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358093 584570632 /nfs/dbraw/zinc/57/06/32/584570632.db2.gz AOOXZQRYDKHLCC-LBPRGKRZSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](Cc1ccccc1F)NCC1([NH3+])CC1 ZINC000902406060 584574131 /nfs/dbraw/zinc/57/41/31/584574131.db2.gz KKNAQPQLGQXHFM-SNVBAGLBSA-N 1 3 222.307 1.838 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000902389666 584580414 /nfs/dbraw/zinc/58/04/14/584580414.db2.gz ZCOZMBVMSUIMSN-RWMBFGLXSA-N 1 3 240.391 1.515 20 0 BDADHO COCCC[C@@H](C)[NH2+][C@H]1CNCC1(C)C ZINC000902450130 584606227 /nfs/dbraw/zinc/60/62/27/584606227.db2.gz RBJBHHNWCMXCGW-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@H]1CCCOC1 ZINC000902451383 584607390 /nfs/dbraw/zinc/60/73/90/584607390.db2.gz XEWKMVRBHCUYPU-SDDRHHMPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CNCC1(C)C ZINC000902451836 584607500 /nfs/dbraw/zinc/60/75/00/584607500.db2.gz YJAAAMFZLGPKHP-DGCLKSJQSA-N 1 3 240.391 1.779 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451599 584607618 /nfs/dbraw/zinc/60/76/18/584607618.db2.gz GZBSTMPHOLHZAC-WVAOPEQGSA-N 1 3 236.359 1.269 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CN1C1CC1 ZINC000902465013 584613112 /nfs/dbraw/zinc/61/31/12/584613112.db2.gz FPECVYALCYHSLE-CAFXUDQZSA-N 1 3 235.375 1.094 20 0 BDADHO C1CC1[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470258 584616936 /nfs/dbraw/zinc/61/69/36/584616936.db2.gz VNFWWUHNTLXKQT-OBPIAQAESA-N 1 3 206.333 1.658 20 0 BDADHO Cc1ncccc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000902511464 584623107 /nfs/dbraw/zinc/62/31/07/584623107.db2.gz FBOQVZRVOSZRCJ-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000902511464 584623109 /nfs/dbraw/zinc/62/31/09/584623109.db2.gz FBOQVZRVOSZRCJ-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO [NH3+]C[C@H]1C[C@H](N[C@H]2CCCc3occc32)C1 ZINC000902485731 584625271 /nfs/dbraw/zinc/62/52/71/584625271.db2.gz NETUJRUJILEMQN-NHCYSSNCSA-N 1 3 220.316 1.984 20 0 BDADHO Cc1ncc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)s1 ZINC000902487690 584626566 /nfs/dbraw/zinc/62/65/66/584626566.db2.gz LSYRSLGSWLSFRR-SZEHBUNVSA-N 1 3 225.361 1.839 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902516551 584630060 /nfs/dbraw/zinc/63/00/60/584630060.db2.gz DJPZKDFVJSWXPW-DMTCVQMQSA-N 1 3 234.343 1.360 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC12CCCC2)CN(C)C ZINC000903174726 584732774 /nfs/dbraw/zinc/73/27/74/584732774.db2.gz NBNIGLWPDBGMPS-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCN2C)[C@@H](C)C1 ZINC000903321605 584747082 /nfs/dbraw/zinc/74/70/82/584747082.db2.gz AXOQWOHIYNEDNS-AVGNSLFASA-N 1 3 225.380 1.010 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCN2C)[C@@H](C)C1 ZINC000903321605 584747084 /nfs/dbraw/zinc/74/70/84/584747084.db2.gz AXOQWOHIYNEDNS-AVGNSLFASA-N 1 3 225.380 1.010 20 0 BDADHO CN1CC[C@@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000903316719 584750053 /nfs/dbraw/zinc/75/00/53/584750053.db2.gz QNMNUVMJQCSPDP-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316719 584750054 /nfs/dbraw/zinc/75/00/54/584750054.db2.gz QNMNUVMJQCSPDP-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316719 584750055 /nfs/dbraw/zinc/75/00/55/584750055.db2.gz QNMNUVMJQCSPDP-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO CC[C@@H]1C[C@H]1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903464941 584767163 /nfs/dbraw/zinc/76/71/63/584767163.db2.gz ZWKZIOGTECERQO-VOAKCMCISA-N 1 3 208.349 1.846 20 0 BDADHO COC(=O)[C@H]1CCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903454870 584773482 /nfs/dbraw/zinc/77/34/82/584773482.db2.gz LZFXCRHWDOYZDN-GRYCIOLGSA-N 1 3 240.347 1.141 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NCCOC1CC1 ZINC000903455087 584773651 /nfs/dbraw/zinc/77/36/51/584773651.db2.gz PNYUIERNZNIEQR-SNVBAGLBSA-N 1 3 200.326 1.128 20 0 BDADHO COC[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)C(C)C ZINC000903455512 584774251 /nfs/dbraw/zinc/77/42/51/584774251.db2.gz XZALMHZTHDAJTJ-CHWSQXEVSA-N 1 3 242.407 1.883 20 0 BDADHO COC[C@H](C[NH2+][C@H]1CCNC12CCC2)C(C)C ZINC000903470427 584774920 /nfs/dbraw/zinc/77/49/20/584774920.db2.gz BLWUGEBKONUVCG-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO C=C/C=C\CC[NH2+][C@H]1CCNC12CCC2 ZINC000903470995 584775373 /nfs/dbraw/zinc/77/53/73/584775373.db2.gz GDAMBFUJTIKWEP-MVZIDQBPSA-N 1 3 206.333 1.993 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000903482181 584778820 /nfs/dbraw/zinc/77/88/20/584778820.db2.gz YWZCJLYQKJDMLM-MQYQWHSLSA-N 1 3 238.375 1.343 20 0 BDADHO CCCOC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499711 584780350 /nfs/dbraw/zinc/78/03/50/584780350.db2.gz MBVDCYNVQBULKU-GRYCIOLGSA-N 1 3 242.363 1.245 20 0 BDADHO CC(C)(C)OC[C@H]1CCCN1CCC[NH3+] ZINC000903563410 584782451 /nfs/dbraw/zinc/78/24/51/584782451.db2.gz BOJHZLOSXMIYGW-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@H](O)CCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903730439 584793016 /nfs/dbraw/zinc/79/30/16/584793016.db2.gz WHFFVTWEJIZAGE-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO [NH3+]CC1CCN(Cc2cnn(CCF)c2)CC1 ZINC000903713249 584793318 /nfs/dbraw/zinc/79/33/18/584793318.db2.gz JTAIVWMAZRYFKV-UHFFFAOYSA-N 1 3 240.326 1.023 20 0 BDADHO C[C@]12COC[C@H]1CN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903767426 584798257 /nfs/dbraw/zinc/79/82/57/584798257.db2.gz XIQVRSRCDKXPQQ-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@H]1C[N@H+](C[C@H]1CCCCNC1)C2 ZINC000903767426 584798258 /nfs/dbraw/zinc/79/82/58/584798258.db2.gz XIQVRSRCDKXPQQ-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@H]1C[N@@H+](C[C@H]1CCCCNC1)C2 ZINC000903767426 584798259 /nfs/dbraw/zinc/79/82/59/584798259.db2.gz XIQVRSRCDKXPQQ-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCNC1)[C@H]1CCCOC1 ZINC000903758515 584798591 /nfs/dbraw/zinc/79/85/91/584798591.db2.gz LQRIMCNUZKDSER-IHRRRGAJSA-N 1 3 240.391 1.781 20 0 BDADHO CN(CCCF)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784225 584800223 /nfs/dbraw/zinc/80/02/23/584800223.db2.gz LXUXCRAZVARDHB-RYUDHWBXSA-N 1 3 230.327 1.046 20 0 BDADHO C[C@]12C[N@H+](CCCN)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826317 584805076 /nfs/dbraw/zinc/80/50/76/584805076.db2.gz IBJAJNMXKLDIMA-QNWHQSFQSA-N 1 3 206.333 1.479 20 0 BDADHO C[C@]12C[N@@H+](CCCN)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903826317 584805077 /nfs/dbraw/zinc/80/50/77/584805077.db2.gz IBJAJNMXKLDIMA-QNWHQSFQSA-N 1 3 206.333 1.479 20 0 BDADHO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000903850174 584808326 /nfs/dbraw/zinc/80/83/26/584808326.db2.gz LNHXSKAFDOEEDD-JHJVBQTASA-N 1 3 236.359 1.452 20 0 BDADHO COCCCCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903854467 584808579 /nfs/dbraw/zinc/80/85/79/584808579.db2.gz JGMCJHAQCLKYDG-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO CCOCCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857984 584810151 /nfs/dbraw/zinc/81/01/51/584810151.db2.gz XDBTYOVOZABXMR-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CC[C@@H]1CCCCO1 ZINC000903861988 584813407 /nfs/dbraw/zinc/81/34/07/584813407.db2.gz ZTYZLDYGLQSZJL-HZSPNIEDSA-N 1 3 238.375 1.759 20 0 BDADHO C[C@]12CSC[C@H]1C[N@H+](C[C@H]1CCCNC1)C2 ZINC000903871538 584815389 /nfs/dbraw/zinc/81/53/89/584815389.db2.gz RMEIEHNAPPTCRO-XQQFMLRXSA-N 1 3 240.416 1.671 20 0 BDADHO C[C@]12CSC[C@H]1C[N@@H+](C[C@H]1CCCNC1)C2 ZINC000903871538 584815391 /nfs/dbraw/zinc/81/53/91/584815391.db2.gz RMEIEHNAPPTCRO-XQQFMLRXSA-N 1 3 240.416 1.671 20 0 BDADHO C[C@@]1(C2CC2)COCCN1CC[C@H]1CC[NH2+]C1 ZINC000903881619 584817666 /nfs/dbraw/zinc/81/76/66/584817666.db2.gz HWFLEHIOVUJSLV-OCCSQVGLSA-N 1 3 238.375 1.487 20 0 BDADHO NC[C@H]([NH2+]C[C@H](N)CC(F)F)C1CCCCC1 ZINC000903915867 584827050 /nfs/dbraw/zinc/82/70/50/584827050.db2.gz CQWPDEIUTKUASH-MNOVXSKESA-N 1 3 249.349 1.466 20 0 BDADHO Cc1noc(C)c1CNCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973532 584832738 /nfs/dbraw/zinc/83/27/38/584832738.db2.gz FVZGGPGYUIIEIK-BXKDBHETSA-N 1 3 237.347 1.627 20 0 BDADHO COC(=O)[C@H](C)CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311819 584862626 /nfs/dbraw/zinc/86/26/26/584862626.db2.gz HTQVNNHHQXBCQO-YPMHNXCESA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@H](C)C[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000904311819 584862627 /nfs/dbraw/zinc/86/26/27/584862627.db2.gz HTQVNNHHQXBCQO-YPMHNXCESA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@H](C)C[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000904311819 584862629 /nfs/dbraw/zinc/86/26/29/584862629.db2.gz HTQVNNHHQXBCQO-YPMHNXCESA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)CN(C[C@H]1C[C@@H]([NH3+])C1)C1CCCC1 ZINC000904325284 584865194 /nfs/dbraw/zinc/86/51/94/584865194.db2.gz VAWJLSYBPLWCOS-PHIMTYICSA-N 1 3 240.347 1.141 20 0 BDADHO CN(C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904329509 584866165 /nfs/dbraw/zinc/86/61/65/584866165.db2.gz ZVRCOBFAWGCDIL-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CCCNC1 ZINC000904329509 584866166 /nfs/dbraw/zinc/86/61/66/584866166.db2.gz ZVRCOBFAWGCDIL-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CCCNC1 ZINC000904329509 584866167 /nfs/dbraw/zinc/86/61/67/584866167.db2.gz ZVRCOBFAWGCDIL-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](NC1CCN(CC[NH3+])CC1)c1ccccn1 ZINC000904367497 584872636 /nfs/dbraw/zinc/87/26/36/584872636.db2.gz CYCQIXUINQZWMI-GFCCVEGCSA-N 1 3 248.374 1.155 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@]1(C)CCC[NH2+]C1 ZINC000904363702 584874258 /nfs/dbraw/zinc/87/42/58/584874258.db2.gz MFTCJBJRPNMNBV-UONOGXRCSA-N 1 3 242.407 1.763 20 0 BDADHO CCC(CC)[C@@H](O)C[NH2+]C[C@]1(C)CCCNC1 ZINC000904363702 584874260 /nfs/dbraw/zinc/87/42/60/584874260.db2.gz MFTCJBJRPNMNBV-UONOGXRCSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CN(Cc2cnc(N)s2)CC[C@H]1C[NH3+] ZINC000904410285 584878910 /nfs/dbraw/zinc/87/89/10/584878910.db2.gz OACHMORCFNDFGG-BDAKNGLRSA-N 1 3 240.376 1.142 20 0 BDADHO O[C@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000838854200 585074950 /nfs/dbraw/zinc/07/49/50/585074950.db2.gz NHUNUQCBPCYMHJ-TZMCWYRMSA-N 1 3 238.375 1.175 20 0 BDADHO O[C@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000838854200 585074951 /nfs/dbraw/zinc/07/49/51/585074951.db2.gz NHUNUQCBPCYMHJ-TZMCWYRMSA-N 1 3 238.375 1.175 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838864220 585075828 /nfs/dbraw/zinc/07/58/28/585075828.db2.gz GXFOKTDAYLNRTP-GXTWGEPZSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838864220 585075829 /nfs/dbraw/zinc/07/58/29/585075829.db2.gz GXFOKTDAYLNRTP-GXTWGEPZSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838864220 585075830 /nfs/dbraw/zinc/07/58/30/585075830.db2.gz GXFOKTDAYLNRTP-GXTWGEPZSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838864220 585075831 /nfs/dbraw/zinc/07/58/31/585075831.db2.gz GXFOKTDAYLNRTP-GXTWGEPZSA-N 1 3 240.391 1.421 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838862565 585076055 /nfs/dbraw/zinc/07/60/55/585076055.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 1 3 226.364 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838862565 585076056 /nfs/dbraw/zinc/07/60/56/585076056.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838862565 585076057 /nfs/dbraw/zinc/07/60/57/585076057.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838862565 585076058 /nfs/dbraw/zinc/07/60/58/585076058.db2.gz KTBYRPWAGLWNTA-YPMHNXCESA-N 1 3 226.364 1.031 20 0 BDADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccoc1 ZINC000754048638 585276200 /nfs/dbraw/zinc/27/62/00/585276200.db2.gz SSHFAAPXWWFGEN-ZDUSSCGKSA-N 1 3 240.347 1.726 20 0 BDADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779411700 585753911 /nfs/dbraw/zinc/75/39/11/585753911.db2.gz GPKLMHJNPRJDIE-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H](C)CCO)C1 ZINC000779411700 585753912 /nfs/dbraw/zinc/75/39/12/585753912.db2.gz GPKLMHJNPRJDIE-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)CCO)C1 ZINC000779411700 585753913 /nfs/dbraw/zinc/75/39/13/585753913.db2.gz GPKLMHJNPRJDIE-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000788471072 585925302 /nfs/dbraw/zinc/92/53/02/585925302.db2.gz SSKLKAVAPQUZJZ-VXGBXAGGSA-N 1 3 226.364 1.437 20 0 BDADHO C[NH+]1CCC(CN2CCOCC23CCC3)CC1 ZINC000788486487 585925510 /nfs/dbraw/zinc/92/55/10/585925510.db2.gz YDUVPBGONHHPBD-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CC(=O)OC[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000798179440 586138584 /nfs/dbraw/zinc/13/85/84/586138584.db2.gz ALPDKCJNIZPBGM-SNVBAGLBSA-N 1 3 240.347 1.154 20 0 BDADHO C[NH+]1CCC2(CCCN(Cc3c[nH]cn3)C2)CC1 ZINC000799179608 586165884 /nfs/dbraw/zinc/16/58/84/586165884.db2.gz PEZUQYGWAGHZRU-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO C[NH+]1CCC2(CCCN(Cc3cnc[nH]3)C2)CC1 ZINC000799179608 586165886 /nfs/dbraw/zinc/16/58/86/586165886.db2.gz PEZUQYGWAGHZRU-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000817889105 586831855 /nfs/dbraw/zinc/83/18/55/586831855.db2.gz MLXHMKARKHYKMS-MBNYWOFBSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CSCCS1 ZINC000817897801 586834980 /nfs/dbraw/zinc/83/49/80/586834980.db2.gz BCKRLOSKGYZCIX-IVZWLZJFSA-N 1 3 234.434 1.550 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCNc1ccccc1 ZINC000817901757 586836303 /nfs/dbraw/zinc/83/63/03/586836303.db2.gz YEKUEJXOKBVWAC-VXGBXAGGSA-N 1 3 221.348 1.814 20 0 BDADHO C[C@@H](NCCN1CCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912790 586837972 /nfs/dbraw/zinc/83/79/72/586837972.db2.gz IONVZQXFYKGTBY-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@](C)(O)c1ccccc1 ZINC000817913614 586838883 /nfs/dbraw/zinc/83/88/83/586838883.db2.gz OLFJMAUAROLMBA-SGMGOOAPSA-N 1 3 236.359 1.610 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@](C)(O)c1ccccc1 ZINC000817913380 586839429 /nfs/dbraw/zinc/83/94/29/586839429.db2.gz OLFJMAUAROLMBA-OBJOEFQTSA-N 1 3 236.359 1.610 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1cccc(F)n1 ZINC000817918462 586840361 /nfs/dbraw/zinc/84/03/61/586840361.db2.gz UWFRYFJKLIZFKN-JTQLQIEISA-N 1 3 225.311 1.828 20 0 BDADHO C[C@H](NC[C@@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935699 586844496 /nfs/dbraw/zinc/84/44/96/586844496.db2.gz DAPZERNYPLYUNQ-IONNQARKSA-N 1 3 237.174 1.768 20 0 BDADHO C[C@H](CO)[NH2+][C@@H](C)c1cccc(CN(C)C)c1 ZINC000820807416 587073156 /nfs/dbraw/zinc/07/31/56/587073156.db2.gz HZVXFQOGAMPGCW-NEPJUHHUSA-N 1 3 236.359 1.780 20 0 BDADHO CC(C)(O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820809848 587074165 /nfs/dbraw/zinc/07/41/65/587074165.db2.gz JCYXRJMOKLPIHW-VGPLMAKISA-N 1 3 238.375 1.505 20 0 BDADHO CC(C)(O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820809848 587074166 /nfs/dbraw/zinc/07/41/66/587074166.db2.gz JCYXRJMOKLPIHW-VGPLMAKISA-N 1 3 238.375 1.505 20 0 BDADHO [NH3+]CCCN1CC[C@H](c2ccccn2)C1 ZINC000841020162 587935729 /nfs/dbraw/zinc/93/57/29/587935729.db2.gz NTCMXQIOXMVGPS-NSHDSACASA-N 1 3 205.305 1.220 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841035640 587937699 /nfs/dbraw/zinc/93/76/99/587937699.db2.gz LLJURNODLDVLSF-LNFKQOIKSA-N 1 3 246.445 1.693 20 0 BDADHO CCNCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848945 587977915 /nfs/dbraw/zinc/97/79/15/587977915.db2.gz WHNHKMATDKVKHK-UHFFFAOYSA-N 1 3 247.342 1.034 20 0 BDADHO OCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842475343 588028488 /nfs/dbraw/zinc/02/84/88/588028488.db2.gz PKEUGXPHIHRQKV-AWEZNQCLSA-N 1 3 240.391 1.615 20 0 BDADHO NC(=O)[C@H]1CCCCN1CCCCCCC[NH3+] ZINC000842471481 588029256 /nfs/dbraw/zinc/02/92/56/588029256.db2.gz DBJVYLBARKWOSV-GFCCVEGCSA-N 1 3 241.379 1.235 20 0 BDADHO Cc1cc(CNC2CCC([NH3+])CC2)nn1C ZINC000843105067 588081624 /nfs/dbraw/zinc/08/16/24/588081624.db2.gz PSNHTLWIEZBMAA-UHFFFAOYSA-N 1 3 222.336 1.088 20 0 BDADHO c1cc2c(cc1N[C@H]1CCC[NH2+]C1)CNCCO2 ZINC000843125719 588084448 /nfs/dbraw/zinc/08/44/48/588084448.db2.gz GCKQAZHPDOTYDV-ZDUSSCGKSA-N 1 3 247.342 1.333 20 0 BDADHO CCCCOC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000843362614 588104548 /nfs/dbraw/zinc/10/45/48/588104548.db2.gz LENQZZPCENNHAH-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO COC[C@@H]1CN(CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221380 588261376 /nfs/dbraw/zinc/26/13/76/588261376.db2.gz XYJKQAHLMLNVLG-STQMWFEESA-N 1 3 244.379 1.241 20 0 BDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCF)C2)C1 ZINC000846224774 588261707 /nfs/dbraw/zinc/26/17/07/588261707.db2.gz DFOXRSWUQNQLNK-TUAOUCFPSA-N 1 3 230.327 1.174 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000848719482 588408449 /nfs/dbraw/zinc/40/84/49/588408449.db2.gz GRLYRACWLDKKOF-KFWWJZLASA-N 1 3 248.370 1.754 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000848981013 588423835 /nfs/dbraw/zinc/42/38/35/588423835.db2.gz VCHSIAXICASTTD-QWRGUYRKSA-N 1 3 226.368 1.383 20 0 BDADHO CNC(=[NH2+])NCC1(N(C)C)CCCCCC1 ZINC000848982219 588424038 /nfs/dbraw/zinc/42/40/38/588424038.db2.gz OVEHOZXRISBLQY-UHFFFAOYSA-N 1 3 226.368 1.385 20 0 BDADHO CCNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000848987277 588426071 /nfs/dbraw/zinc/42/60/71/588426071.db2.gz WXOMLJACCBEQHJ-QWRGUYRKSA-N 1 3 226.368 1.383 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000848987174 588426225 /nfs/dbraw/zinc/42/62/25/588426225.db2.gz LIVFUOJJZPJNQD-GHMZBOCLSA-N 1 3 226.368 1.241 20 0 BDADHO C[C@H](CNC(=[NH2+])N(C)C)N1CCCC[C@@H]1C ZINC000848987409 588426501 /nfs/dbraw/zinc/42/65/01/588426501.db2.gz ULAKZQIIFHUNMV-WDEREUQCSA-N 1 3 226.368 1.335 20 0 BDADHO CCNC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000848998626 588429950 /nfs/dbraw/zinc/42/99/50/588429950.db2.gz BJUGWWIILMWDEZ-NSHDSACASA-N 1 3 226.368 1.241 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000848998625 588429966 /nfs/dbraw/zinc/42/99/66/588429966.db2.gz BJUGWWIILMWDEZ-LLVKDONJSA-N 1 3 226.368 1.241 20 0 BDADHO CC(C)(C)NCCNC(=[NH2+])NC1CCCC1 ZINC000849006071 588432451 /nfs/dbraw/zinc/43/24/51/588432451.db2.gz QPNMHOWDXPSFNN-UHFFFAOYSA-N 1 3 226.368 1.431 20 0 BDADHO CON(C)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000850480566 588551137 /nfs/dbraw/zinc/55/11/37/588551137.db2.gz SWAOKFYVVJIELH-UHFFFAOYSA-N 1 3 243.395 1.332 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC(OC)OC)C1 ZINC000851798875 588630338 /nfs/dbraw/zinc/63/03/38/588630338.db2.gz JAYPYAGODJEVPS-GFCCVEGCSA-N 1 3 244.379 1.269 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC(OC)OC)C1 ZINC000851798875 588630339 /nfs/dbraw/zinc/63/03/39/588630339.db2.gz JAYPYAGODJEVPS-GFCCVEGCSA-N 1 3 244.379 1.269 20 0 BDADHO FC(F)OCCN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000852750082 588699990 /nfs/dbraw/zinc/69/99/90/588699990.db2.gz VMXDUPIMPPJGTL-NSHDSACASA-N 1 3 248.317 1.690 20 0 BDADHO C[C@@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)CN(C)C ZINC000864451117 589364802 /nfs/dbraw/zinc/36/48/02/589364802.db2.gz DMIPCNNCTBJDPT-NXEZZACHSA-N 1 3 226.368 1.097 20 0 BDADHO CC[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)N1CCCC1 ZINC000864453207 589365457 /nfs/dbraw/zinc/36/54/57/589365457.db2.gz LJQBACSPIJFOPF-QJPTWQEYSA-N 1 3 238.379 1.383 20 0 BDADHO CC[C@H]1CCN(C(=[NH2+])NC[C@H](C)CN(C)C)C1 ZINC000864465831 589370851 /nfs/dbraw/zinc/37/08/51/589370851.db2.gz BYUIFMLIYSVMHC-RYUDHWBXSA-N 1 3 240.395 1.440 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@H]1CCCOC1 ZINC000872073528 589865137 /nfs/dbraw/zinc/86/51/37/589865137.db2.gz QINMHNYYHZHVOY-RDBSUJKOSA-N 1 3 242.407 1.979 20 0 BDADHO CN(CCC[NH3+])Cc1cc2c(s1)CCNC2 ZINC000873200767 589992642 /nfs/dbraw/zinc/99/26/42/589992642.db2.gz FSOGRUYRIVXFMR-UHFFFAOYSA-N 1 3 239.388 1.174 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237564 590003867 /nfs/dbraw/zinc/00/38/67/590003867.db2.gz QYXAOSVTMRVCDE-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)C1CNC1 ZINC000873249828 590007198 /nfs/dbraw/zinc/00/71/98/590007198.db2.gz CPWCZRMYMDOIPX-AAEUAGOBSA-N 1 3 238.375 1.391 20 0 BDADHO Cn1ccnc1[C@H](NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000873254791 590010193 /nfs/dbraw/zinc/01/01/93/590010193.db2.gz ANMXXKVQPQVOJU-YUSALJHKSA-N 1 3 234.347 1.198 20 0 BDADHO C[C@@H](N[C@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873268960 590015578 /nfs/dbraw/zinc/01/55/78/590015578.db2.gz BLNDJECHIZZINU-PWSUYJOCSA-N 1 3 234.347 1.306 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCOC2=O)C1 ZINC000873283624 590019267 /nfs/dbraw/zinc/01/92/67/590019267.db2.gz YKYPPBXFFLCUBB-IJLUTSLNSA-N 1 3 240.347 1.189 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCC1CCC1 ZINC000873283124 590019619 /nfs/dbraw/zinc/01/96/19/590019619.db2.gz ZDEWKWABDZUCTH-UHTWSYAYSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1Cc2ccccc2CN1 ZINC000873297095 590024627 /nfs/dbraw/zinc/02/46/27/590024627.db2.gz RBZYTERIFSPTSB-ZOWXZIJZSA-N 1 3 247.386 1.416 20 0 BDADHO CN(Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000125647351 590176028 /nfs/dbraw/zinc/17/60/28/590176028.db2.gz KLSXAGPGNMUOAJ-UHFFFAOYSA-N 1 3 216.328 1.927 20 0 BDADHO CC(C)NCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137871 590291143 /nfs/dbraw/zinc/29/11/43/590291143.db2.gz JCHLIJLMCVMKNA-QWHCGFSZSA-N 1 3 247.342 1.438 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877739241 590407286 /nfs/dbraw/zinc/40/72/86/590407286.db2.gz FTLHRMAQHDQCQG-FDYHWXHSSA-N 1 3 208.349 1.668 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877739241 590407288 /nfs/dbraw/zinc/40/72/88/590407288.db2.gz FTLHRMAQHDQCQG-FDYHWXHSSA-N 1 3 208.349 1.668 20 0 BDADHO CC(C)[C@H](O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000878645049 590600748 /nfs/dbraw/zinc/60/07/48/590600748.db2.gz GTMRZYAAMJUQSN-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878645049 590600750 /nfs/dbraw/zinc/60/07/50/590600750.db2.gz GTMRZYAAMJUQSN-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO CCCCCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878867574 590636167 /nfs/dbraw/zinc/63/61/67/590636167.db2.gz GXQVWHDSZAFUAA-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CN1CC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000879572880 590800076 /nfs/dbraw/zinc/80/00/76/590800076.db2.gz KDMKFIIDQYQIMT-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000879572880 590800078 /nfs/dbraw/zinc/80/00/78/590800078.db2.gz KDMKFIIDQYQIMT-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879582097 590819804 /nfs/dbraw/zinc/81/98/04/590819804.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879582097 590819805 /nfs/dbraw/zinc/81/98/05/590819805.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582097 590819808 /nfs/dbraw/zinc/81/98/08/590819808.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879582097 590819809 /nfs/dbraw/zinc/81/98/09/590819809.db2.gz PPTXXAIQEPKVIL-JHJVBQTASA-N 1 3 226.364 1.029 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000879580232 590822644 /nfs/dbraw/zinc/82/26/44/590822644.db2.gz FVIYITKTWRQQHU-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000879580232 590822646 /nfs/dbraw/zinc/82/26/46/590822646.db2.gz FVIYITKTWRQQHU-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@H](CO)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261850 590979968 /nfs/dbraw/zinc/97/99/68/590979968.db2.gz YVKJRZPLOREXAI-STQMWFEESA-N 1 3 249.358 1.221 20 0 BDADHO c1cc(CN2CCC3(C2)CC[NH2+]CC3)sn1 ZINC000883424118 591659038 /nfs/dbraw/zinc/65/90/38/591659038.db2.gz GQBXLLNOICHCDT-UHFFFAOYSA-N 1 3 237.372 1.719 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000883430731 591661800 /nfs/dbraw/zinc/66/18/00/591661800.db2.gz AZWYRQXLRGTNNR-VOAKCMCISA-N 1 3 243.370 1.101 20 0 BDADHO Cn1cc(C2C[C@H]3CC[C@@H](C2)N3CCC[NH3+])cn1 ZINC000883461510 591673756 /nfs/dbraw/zinc/67/37/56/591673756.db2.gz WTETWXCXAXFQOW-QXMXGUDHSA-N 1 3 248.374 1.479 20 0 BDADHO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN)cn1 ZINC000883461510 591673758 /nfs/dbraw/zinc/67/37/58/591673758.db2.gz WTETWXCXAXFQOW-QXMXGUDHSA-N 1 3 248.374 1.479 20 0 BDADHO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN)cn1 ZINC000883461510 591673759 /nfs/dbraw/zinc/67/37/59/591673759.db2.gz WTETWXCXAXFQOW-QXMXGUDHSA-N 1 3 248.374 1.479 20 0 BDADHO CN(C)C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000885953864 592114866 /nfs/dbraw/zinc/11/48/66/592114866.db2.gz HRLCZPHNMSLKFM-OCCSQVGLSA-N 1 3 238.375 1.439 20 0 BDADHO C[NH+](C)C1CCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000885953864 592114867 /nfs/dbraw/zinc/11/48/67/592114867.db2.gz HRLCZPHNMSLKFM-OCCSQVGLSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886330323 592210652 /nfs/dbraw/zinc/21/06/52/592210652.db2.gz QOBBQSULZDHYAD-XQQFMLRXSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886330323 592210655 /nfs/dbraw/zinc/21/06/55/592210655.db2.gz QOBBQSULZDHYAD-XQQFMLRXSA-N 1 3 208.349 1.813 20 0 BDADHO CCC1(N2CCC2)CC[NH+](C[C@@H](C)OC)CC1 ZINC000886716372 592310196 /nfs/dbraw/zinc/31/01/96/592310196.db2.gz XDTTYDUXSIPKTG-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886838550 592357982 /nfs/dbraw/zinc/35/79/82/592357982.db2.gz ZSYIKGDUPWBJKH-IHRRRGAJSA-N 1 3 238.375 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886838550 592357976 /nfs/dbraw/zinc/35/79/76/592357976.db2.gz ZSYIKGDUPWBJKH-IHRRRGAJSA-N 1 3 238.375 1.616 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859988 592372472 /nfs/dbraw/zinc/37/24/72/592372472.db2.gz MTKZMKDEVHIIPC-AVGNSLFASA-N 1 3 224.348 1.097 20 0 BDADHO C[NH2+]CCCN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859799 592372656 /nfs/dbraw/zinc/37/26/56/592372656.db2.gz GDMABZGWSWEZER-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859799 592372661 /nfs/dbraw/zinc/37/26/61/592372661.db2.gz GDMABZGWSWEZER-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859799 592372668 /nfs/dbraw/zinc/37/26/68/592372668.db2.gz GDMABZGWSWEZER-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO COCCCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872398 592377954 /nfs/dbraw/zinc/37/79/54/592377954.db2.gz RKMADFJPMHIRLU-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO COC[C@@H](C)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872478 592378235 /nfs/dbraw/zinc/37/82/35/592378235.db2.gz SYQZLIMOVJOACB-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734909 592445076 /nfs/dbraw/zinc/44/50/76/592445076.db2.gz MMILFXRAWYPNRF-BPLDGKMQSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734909 592445077 /nfs/dbraw/zinc/44/50/77/592445077.db2.gz MMILFXRAWYPNRF-BPLDGKMQSA-N 1 3 248.370 1.792 20 0 BDADHO [NH2+]=C(NCCN1CCCCCC1)NCC1CC1 ZINC000887348387 592484917 /nfs/dbraw/zinc/48/49/17/592484917.db2.gz GZEPQSMZJVJGDN-UHFFFAOYSA-N 1 3 238.379 1.386 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887359119 592489959 /nfs/dbraw/zinc/48/99/59/592489959.db2.gz GHFKAJFPRLYWFY-VIFPVBQESA-N 1 3 248.321 1.240 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925715652 634443460 /nfs/dbraw/zinc/44/34/60/634443460.db2.gz GNKVQDSUTSPEIS-UMSGYPCISA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C)C1 ZINC000093516019 634559147 /nfs/dbraw/zinc/55/91/47/634559147.db2.gz CZBHCOBYFQXUSM-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000925824125 635411538 /nfs/dbraw/zinc/41/15/38/635411538.db2.gz PVKJVACNYLWEFK-LPWJVIDDSA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000925824125 635411548 /nfs/dbraw/zinc/41/15/48/635411548.db2.gz PVKJVACNYLWEFK-LPWJVIDDSA-N 1 3 236.359 1.413 20 0 BDADHO COC[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000227077297 635446655 /nfs/dbraw/zinc/44/66/55/635446655.db2.gz AJQQHKHJSNMZKC-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000227077297 635446661 /nfs/dbraw/zinc/44/66/61/635446661.db2.gz AJQQHKHJSNMZKC-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]2N)nc1 ZINC000925878215 635605690 /nfs/dbraw/zinc/60/56/90/635605690.db2.gz RRZUJOJEOFKCNG-NEPJUHHUSA-N 1 3 234.347 1.271 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C2CSC2)CC1 ZINC000308854714 631694989 /nfs/dbraw/zinc/69/49/89/631694989.db2.gz PMEHHDYRSLEMCB-UHFFFAOYSA-N 1 3 228.405 1.954 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCCSC[C@H]1C ZINC000934297550 631763072 /nfs/dbraw/zinc/76/30/72/631763072.db2.gz HRJWCXBBSVNOKE-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCCSC[C@H]1C ZINC000934297550 631763077 /nfs/dbraw/zinc/76/30/77/631763077.db2.gz HRJWCXBBSVNOKE-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO CC(C)N(CCNC(=[NH2+])NC1CC1)C(C)C ZINC000052040835 632052670 /nfs/dbraw/zinc/05/26/70/632052670.db2.gz BJOQFDZLIAEMLT-UHFFFAOYSA-N 1 3 226.368 1.382 20 0 BDADHO CCNC(=[NH2+])NC[C@]1(N(C)C)CCC[C@H](C)C1 ZINC000052043345 632054673 /nfs/dbraw/zinc/05/46/73/632054673.db2.gz PCMBKOVEPPNKBI-AAEUAGOBSA-N 1 3 240.395 1.631 20 0 BDADHO O[C@@H](CN1CCC2(CCC2)C1)C[NH+]1CCCC1 ZINC000309983541 632689805 /nfs/dbraw/zinc/68/98/05/632689805.db2.gz PSJMEIGXRYHQFJ-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000328508004 633773869 /nfs/dbraw/zinc/77/38/69/633773869.db2.gz ZELCQTCGROWTJM-VTAXGKEESA-N 1 3 220.360 1.761 20 0 BDADHO COC[C@H](C)NCCC[N@@H+]1CCCC[C@H]1C ZINC000053172159 633876494 /nfs/dbraw/zinc/87/64/94/633876494.db2.gz DNBYOIAVILFMKG-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000053172159 633876497 /nfs/dbraw/zinc/87/64/97/633876497.db2.gz DNBYOIAVILFMKG-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000053172159 633876502 /nfs/dbraw/zinc/87/65/02/633876502.db2.gz DNBYOIAVILFMKG-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H](CCO)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925610116 634147160 /nfs/dbraw/zinc/14/71/60/634147160.db2.gz CMSDJNUBCWJVRW-USZNOCQGSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@@H](CCO)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610116 634147165 /nfs/dbraw/zinc/14/71/65/634147165.db2.gz CMSDJNUBCWJVRW-USZNOCQGSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925611576 634151134 /nfs/dbraw/zinc/15/11/34/634151134.db2.gz MZEUQAYLEZGANK-KWCYVHTRSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H](CN[C@H]1CC[NH2+]C1(C)C)N1CCCCC1 ZINC000925613543 634154170 /nfs/dbraw/zinc/15/41/70/634154170.db2.gz RYPXOVYMYZTQRT-STQMWFEESA-N 1 3 239.407 1.591 20 0 BDADHO CC1(C)[C@@H](O)C[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647528 634204000 /nfs/dbraw/zinc/20/40/00/634204000.db2.gz ZMPBHEYYNVTNIR-RHYQMDGZSA-N 1 3 240.391 1.641 20 0 BDADHO COCC[C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925686902 634299741 /nfs/dbraw/zinc/29/97/41/634299741.db2.gz XKPMUBHPGKYTIT-SNIKSBKOSA-N 1 3 238.375 1.245 20 0 BDADHO COCC(COC)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692493 634325071 /nfs/dbraw/zinc/32/50/71/634325071.db2.gz QJIBRYXSEBVRDT-WDEREUQCSA-N 1 3 244.379 1.143 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925695722 634347868 /nfs/dbraw/zinc/34/78/68/634347868.db2.gz WFJFKOVHDYMBSL-JHJVBQTASA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](Cc1cnccn1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000925777494 635261460 /nfs/dbraw/zinc/26/14/60/635261460.db2.gz FBFQNJUEIONYBD-GRYCIOLGSA-N 1 3 234.347 1.267 20 0 BDADHO COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C(C)C ZINC000925873895 635594662 /nfs/dbraw/zinc/59/46/62/635594662.db2.gz MWGOWPVMMHGWJI-FRRDWIJNSA-N 1 3 228.380 1.622 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCS1 ZINC000925258484 636543888 /nfs/dbraw/zinc/54/38/88/636543888.db2.gz PAEKVTZRPKBZHM-DAAZQVBGSA-N 1 3 240.416 1.812 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924706589 637015041 /nfs/dbraw/zinc/01/50/41/637015041.db2.gz QEDGGYVBSQOTEG-NWDGAFQWSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+][C@]1(C)CCNC1=O ZINC000904469178 637424011 /nfs/dbraw/zinc/42/40/11/637424011.db2.gz JDQROVRTXGEOQE-ZWNOBZJWSA-N 1 3 241.379 1.008 20 0 BDADHO NC1CC([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000906511484 638185547 /nfs/dbraw/zinc/18/55/47/638185547.db2.gz XAJHKRZADNWKBB-UHFFFAOYSA-N 1 3 246.354 1.633 20 0 BDADHO [NH3+]C1CC(NCCCc2ccc3c(c2)CCO3)C1 ZINC000906511484 638185552 /nfs/dbraw/zinc/18/55/52/638185552.db2.gz XAJHKRZADNWKBB-UHFFFAOYSA-N 1 3 246.354 1.633 20 0 BDADHO C[C@@H]1CC[C@@H](CN2CCC[C@H](C[NH3+])C2)O1 ZINC000149750115 639110556 /nfs/dbraw/zinc/11/05/56/639110556.db2.gz UUZLDKVZQWIUJM-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC1 ZINC000382193066 711473799 /nfs/dbraw/zinc/47/37/99/711473799.db2.gz HYOWHSJXEMDYND-OBPIAQAESA-N 1 3 206.333 1.373 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911722404 639746476 /nfs/dbraw/zinc/74/64/76/639746476.db2.gz ROHWDKYAIUTFCC-QJPTWQEYSA-N 1 3 241.379 1.090 20 0 BDADHO CN(C)[C@@H]1[C@H]2C[N@H+](CCc3cncs3)C[C@H]21 ZINC000931281165 640132496 /nfs/dbraw/zinc/13/24/96/640132496.db2.gz PJKPWEFYHXHDOK-GDNZZTSVSA-N 1 3 237.372 1.177 20 0 BDADHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCc3cncs3)C[C@H]21 ZINC000931281165 640132502 /nfs/dbraw/zinc/13/25/02/640132502.db2.gz PJKPWEFYHXHDOK-GDNZZTSVSA-N 1 3 237.372 1.177 20 0 BDADHO CCCCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931290306 640136253 /nfs/dbraw/zinc/13/62/53/640136253.db2.gz KVQJHMRZHXSRKV-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO CCCCN1CCC([N@H+]2CCCOCC2)CC1 ZINC000931290306 640136260 /nfs/dbraw/zinc/13/62/60/640136260.db2.gz KVQJHMRZHXSRKV-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931718881 640333596 /nfs/dbraw/zinc/33/35/96/640333596.db2.gz GRBOLIUATJNENI-MCIONIFRSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931718881 640333601 /nfs/dbraw/zinc/33/36/01/640333601.db2.gz GRBOLIUATJNENI-MCIONIFRSA-N 1 3 237.391 1.249 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCCN2C)CCO1 ZINC000932348974 640489918 /nfs/dbraw/zinc/48/99/18/640489918.db2.gz CWLZMKAEWZITGZ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)CCO1 ZINC000932348974 640489921 /nfs/dbraw/zinc/48/99/21/640489921.db2.gz CWLZMKAEWZITGZ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1 ZINC000224882256 640644600 /nfs/dbraw/zinc/64/46/00/640644600.db2.gz IAMRDIPSTPLJLD-BPLDGKMQSA-N 1 3 248.370 1.779 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H](O)c1ccccc1 ZINC000226314105 640746183 /nfs/dbraw/zinc/74/61/83/640746183.db2.gz CMHMUPBKLNAGEE-LSDHHAIUSA-N 1 3 248.370 1.923 20 0 BDADHO CCOCCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741582 640759171 /nfs/dbraw/zinc/75/91/71/640759171.db2.gz XPURAHYTPVSUHQ-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO CCOCCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741582 640759174 /nfs/dbraw/zinc/75/91/74/640759174.db2.gz XPURAHYTPVSUHQ-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccc(CO)c1 ZINC000227457138 640834094 /nfs/dbraw/zinc/83/40/94/640834094.db2.gz RZIATJOLLFWXCS-KBPBESRZSA-N 1 3 234.343 1.396 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000228335726 640870808 /nfs/dbraw/zinc/87/08/08/640870808.db2.gz GFABVYDYNSZTNV-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000228335726 640870809 /nfs/dbraw/zinc/87/08/09/640870809.db2.gz GFABVYDYNSZTNV-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229216479 640934325 /nfs/dbraw/zinc/93/43/25/640934325.db2.gz SCGXFQKVRUYMPM-VXGBXAGGSA-N 1 3 228.405 1.847 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)c2ccsc2)C1 ZINC000231978907 641225470 /nfs/dbraw/zinc/22/54/70/641225470.db2.gz HPJUXBDKWVKXMA-GRYCIOLGSA-N 1 3 240.372 1.641 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1[NH3+] ZINC000723460824 711500282 /nfs/dbraw/zinc/50/02/82/711500282.db2.gz MDUQZTCGGCOSDG-UJPOAAIJSA-N 1 3 208.349 1.702 20 0 BDADHO CN1CCC([NH2+]CCN2CCCCCC2)CC1 ZINC000040767072 641536506 /nfs/dbraw/zinc/53/65/06/641536506.db2.gz XTYOUWJVEVCKBZ-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO CCCC[NH+]1CCC(N[C@@H]2CCOC2)CC1 ZINC000070967216 643089597 /nfs/dbraw/zinc/08/95/97/643089597.db2.gz VXWZCHJDKYOGAJ-CYBMUJFWSA-N 1 3 226.364 1.629 20 0 BDADHO c1ccc2c(c1)nccc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090323058 643206373 /nfs/dbraw/zinc/20/63/73/643206373.db2.gz WHBCOAGXXJKIOK-TXEJJXNPSA-N 1 3 239.322 1.890 20 0 BDADHO CC(C)CO[C@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC000082923082 643387508 /nfs/dbraw/zinc/38/75/08/643387508.db2.gz MVOWZINHGMSRFG-MNOVXSKESA-N 1 3 214.353 1.374 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921546967 643600111 /nfs/dbraw/zinc/60/01/11/643600111.db2.gz JWTLLRLTFMXEOL-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO CC[N@H+]1CC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921546967 643600112 /nfs/dbraw/zinc/60/01/12/643600112.db2.gz JWTLLRLTFMXEOL-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO CCN1CC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921546967 643600117 /nfs/dbraw/zinc/60/01/17/643600117.db2.gz JWTLLRLTFMXEOL-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1nccs1 ZINC000084216781 643651411 /nfs/dbraw/zinc/65/14/11/643651411.db2.gz VGRZYZGMTIWQRQ-WDEREUQCSA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1nccs1 ZINC000084216781 643651420 /nfs/dbraw/zinc/65/14/20/643651420.db2.gz VGRZYZGMTIWQRQ-WDEREUQCSA-N 1 3 239.388 1.793 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2ccccc2)C1 ZINC000050247755 643660699 /nfs/dbraw/zinc/66/06/99/643660699.db2.gz IYZKSMLAHKQIOK-LBPRGKRZSA-N 1 3 247.342 1.296 20 0 BDADHO Cc1ccc([C@@H](O)C[NH2+]CC2(N)CCC2)cc1 ZINC000923330961 644349390 /nfs/dbraw/zinc/34/93/90/644349390.db2.gz DUXOOBURHJNTHF-ZDUSSCGKSA-N 1 3 234.343 1.499 20 0 BDADHO CCc1ncc(CN2CCC[C@H](CC[NH3+])C2)o1 ZINC000923348432 644361146 /nfs/dbraw/zinc/36/11/46/644361146.db2.gz GYKDGBPRSALHHW-LLVKDONJSA-N 1 3 237.347 1.798 20 0 BDADHO C[C@@H](NC(CN)C[NH3+])c1ccc(F)c(Cl)c1 ZINC000923351400 644366970 /nfs/dbraw/zinc/36/69/70/644366970.db2.gz KPHHSFRPMDEMEV-SSDOTTSWSA-N 1 3 245.729 1.416 20 0 BDADHO CC(C)c1ccc([C@@H](C)NC(CN)C[NH3+])cc1 ZINC000923359109 644369727 /nfs/dbraw/zinc/36/97/27/644369727.db2.gz LXMVOAAWAKQNLA-LLVKDONJSA-N 1 3 235.375 1.747 20 0 BDADHO CC(C)CC[C@@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923368344 644380462 /nfs/dbraw/zinc/38/04/62/644380462.db2.gz AWJKUZHNOYPQIG-OLZOCXBDSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)CC[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923368344 644380465 /nfs/dbraw/zinc/38/04/65/644380465.db2.gz AWJKUZHNOYPQIG-OLZOCXBDSA-N 1 3 242.407 1.761 20 0 BDADHO CCCCOC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368592 644381545 /nfs/dbraw/zinc/38/15/45/644381545.db2.gz RVUNRQYTPXRPDI-RYUDHWBXSA-N 1 3 246.395 1.127 20 0 BDADHO NCC(C[NH3+])N[C@@H]1CCc2c1cccc2Cl ZINC000923359504 644383813 /nfs/dbraw/zinc/38/38/13/644383813.db2.gz SGUNQDZWNDKCSZ-GFCCVEGCSA-N 1 3 239.750 1.203 20 0 BDADHO Cc1nc([C@H](C)N2CC[C@@H](C[NH3+])[C@@H](C)C2)n[nH]1 ZINC000923493485 644469776 /nfs/dbraw/zinc/46/97/76/644469776.db2.gz HEXPXLGRNDXCPR-QXEWZRGKSA-N 1 3 237.351 1.091 20 0 BDADHO C[C@H]1CC[C@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515085 644480416 /nfs/dbraw/zinc/48/04/16/644480416.db2.gz CNTRSWCCAVRNNT-WUHRBBMRSA-N 1 3 224.348 1.095 20 0 BDADHO OCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000303621896 644833988 /nfs/dbraw/zinc/83/39/88/644833988.db2.gz ZVPKSUGLWKPKQE-ZDUSSCGKSA-N 1 3 226.364 1.225 20 0 BDADHO C(N[C@H]1C[NH2+]CCOC1)C1CCCCCCC1 ZINC000925487498 645466888 /nfs/dbraw/zinc/46/68/88/645466888.db2.gz ZBZJMIQDONKNHM-AWEZNQCLSA-N 1 3 240.391 1.925 20 0 BDADHO CCN1CCC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925494103 645731388 /nfs/dbraw/zinc/73/13/88/645731388.db2.gz NJDVRGXIMUDFOB-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697321 646090550 /nfs/dbraw/zinc/09/05/50/646090550.db2.gz KTERKOAZRBAXJX-XQQFMLRXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697321 646090553 /nfs/dbraw/zinc/09/05/53/646090553.db2.gz KTERKOAZRBAXJX-XQQFMLRXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)C1(Cl)CC1 ZINC000924757424 646102414 /nfs/dbraw/zinc/10/24/14/646102414.db2.gz OQWVTSCKOCWYDC-MNOVXSKESA-N 1 3 246.782 1.193 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924755831 646102692 /nfs/dbraw/zinc/10/26/92/646102692.db2.gz XKCSKRVWFZTUCZ-STQMWFEESA-N 1 3 242.407 1.715 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC1(C)C ZINC000925392117 646256639 /nfs/dbraw/zinc/25/66/39/646256639.db2.gz CTVWMBKWEHBMHY-FXJUQPSGSA-N 1 3 222.376 1.962 20 0 BDADHO Cc1nccn1CCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925476626 646292182 /nfs/dbraw/zinc/29/21/82/646292182.db2.gz XXRLTBLOMLHGNH-GFCCVEGCSA-N 1 3 236.363 1.312 20 0 BDADHO C[C@H](O)CC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925499623 646304642 /nfs/dbraw/zinc/30/46/42/646304642.db2.gz RLZMDCBZYXVGCF-YUTCNCBUSA-N 1 3 240.391 1.515 20 0 BDADHO CC[C@H](CO)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000929790534 646322025 /nfs/dbraw/zinc/32/20/25/646322025.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](CO)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000929790534 646322011 /nfs/dbraw/zinc/32/20/11/646322011.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](CO)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000929790534 646322017 /nfs/dbraw/zinc/32/20/17/646322017.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](CO)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000929790534 646322021 /nfs/dbraw/zinc/32/20/21/646322021.db2.gz KIUZDOPGOCBZRU-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925542808 646324764 /nfs/dbraw/zinc/32/47/64/646324764.db2.gz PKEPFTUTVMOTGB-KWCYVHTRSA-N 1 3 245.370 1.872 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000929842873 646354649 /nfs/dbraw/zinc/35/46/49/646354649.db2.gz DYPYUUZPRMEATO-JSGCOSHPSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000929842873 646354656 /nfs/dbraw/zinc/35/46/56/646354656.db2.gz DYPYUUZPRMEATO-JSGCOSHPSA-N 1 3 238.375 1.582 20 0 BDADHO OCC1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925612890 646363469 /nfs/dbraw/zinc/36/34/69/646363469.db2.gz VUJOJSWPPTVNAQ-WXRRBKDZSA-N 1 3 238.375 1.412 20 0 BDADHO CCOCCC1(CN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925622455 646369167 /nfs/dbraw/zinc/36/91/67/646369167.db2.gz NLFORUADXYTNDD-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCOCC2CCC2)C12CCC2 ZINC000925639708 646383291 /nfs/dbraw/zinc/38/32/91/646383291.db2.gz MWRMYYPQXJVJAH-CHWSQXEVSA-N 1 3 238.375 1.663 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC23CCC3)[C@@H](C)O1 ZINC000925696716 646421861 /nfs/dbraw/zinc/42/18/61/646421861.db2.gz LKECLMSNAGFLQB-FDYHWXHSSA-N 1 3 238.375 1.674 20 0 BDADHO C[NH2+]CCN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925696260 646422273 /nfs/dbraw/zinc/42/22/73/646422273.db2.gz YOSPAKIXJPLEBT-GRYCIOLGSA-N 1 3 212.337 1.001 20 0 BDADHO CCCN1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925708344 646432853 /nfs/dbraw/zinc/43/28/53/646432853.db2.gz SJJITEYDXLQMAY-QWHCGFSZSA-N 1 3 237.391 1.345 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713478 646437988 /nfs/dbraw/zinc/43/79/88/646437988.db2.gz UBDFJPNXWQSJNQ-LVBDWLNGSA-N 1 3 236.359 1.425 20 0 BDADHO CC1(C)C[C@@H](NCc2ccc[nH]c2=O)C[C@@H]([NH3+])C1 ZINC000925720679 646445771 /nfs/dbraw/zinc/44/57/71/646445771.db2.gz ZTIBVDRGPXSFDA-NEPJUHHUSA-N 1 3 249.358 1.783 20 0 BDADHO C(C[C@@H]1CCCOC1)[NH2+][C@H]1CCNC12CCC2 ZINC000925720436 646445941 /nfs/dbraw/zinc/44/59/41/646445941.db2.gz HLQRHRMXTPDSJG-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccns1 ZINC000925730745 646453780 /nfs/dbraw/zinc/45/37/80/646453780.db2.gz IHDFRYFICFIQIB-DTWKUNHWSA-N 1 3 213.350 1.401 20 0 BDADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2cc(N)ccn2)C1 ZINC000925768094 646468685 /nfs/dbraw/zinc/46/86/85/646468685.db2.gz SKFHIQPGRJKLOY-NWDGAFQWSA-N 1 3 248.374 1.659 20 0 BDADHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CC2(CCC2)CO1 ZINC000925772143 646472974 /nfs/dbraw/zinc/47/29/74/646472974.db2.gz GEPNJLQPKXFEEW-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC[C@@H]1CC(C)(C)CO1 ZINC000925775738 646475366 /nfs/dbraw/zinc/47/53/66/646475366.db2.gz RSZCZQDTTRAJSB-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCSCC1 ZINC000925781569 646477335 /nfs/dbraw/zinc/47/73/35/646477335.db2.gz AVBJNZPJHVGBEJ-CKYFFXLPSA-N 1 3 228.405 1.716 20 0 BDADHO CCC[C@H](O)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925860422 646513385 /nfs/dbraw/zinc/51/33/85/646513385.db2.gz YKCALEIQDZKPFL-SRVKXCTJSA-N 1 3 226.364 1.397 20 0 BDADHO C1CC1(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000925893122 646534501 /nfs/dbraw/zinc/53/45/01/646534501.db2.gz LKRVIQIKQHOBGS-CHWSQXEVSA-N 1 3 238.375 1.820 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC1CC(F)(F)C1 ZINC000926283104 646610538 /nfs/dbraw/zinc/61/05/38/646610538.db2.gz JBXQYUDEGNRJMZ-SLHIUPAKSA-N 1 3 230.302 1.714 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC1CC(F)(F)C1 ZINC000926283104 646610542 /nfs/dbraw/zinc/61/05/42/646610542.db2.gz JBXQYUDEGNRJMZ-SLHIUPAKSA-N 1 3 230.302 1.714 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC(F)(F)C1 ZINC000926283104 646610545 /nfs/dbraw/zinc/61/05/45/646610545.db2.gz JBXQYUDEGNRJMZ-SLHIUPAKSA-N 1 3 230.302 1.714 20 0 BDADHO [NH3+][C@H]1C[C@H](NCC2=CCCC2)C12CCC2 ZINC000702365259 712048383 /nfs/dbraw/zinc/04/83/83/712048383.db2.gz VMTOCLJYXUNOBZ-RYUDHWBXSA-N 1 3 206.333 1.956 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365259 712048385 /nfs/dbraw/zinc/04/83/85/712048385.db2.gz VMTOCLJYXUNOBZ-RYUDHWBXSA-N 1 3 206.333 1.956 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708325821 712187148 /nfs/dbraw/zinc/18/71/48/712187148.db2.gz YESNWMVNFSIIAR-GRYCIOLGSA-N 1 3 226.364 1.471 20 0 BDADHO CC1(C)CO[C@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000708411606 712194147 /nfs/dbraw/zinc/19/41/47/712194147.db2.gz OFXMKFZGWCXZGU-XQQFMLRXSA-N 1 3 238.375 1.343 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCc1ccns1 ZINC000709968006 712235865 /nfs/dbraw/zinc/23/58/65/712235865.db2.gz UNWIWBBUVBVDCO-UWVGGRQHSA-N 1 3 225.361 1.401 20 0 BDADHO CC[C@@H]1COC[C@H]1[NH2+]C[C@H]1CCN(CC)C1 ZINC000711106648 712280757 /nfs/dbraw/zinc/28/07/57/712280757.db2.gz GULXXJZBNJRJTB-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO N[C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698348 712448811 /nfs/dbraw/zinc/44/88/11/712448811.db2.gz YFQSBRYCKHXFKS-AGIUHOORSA-N 1 3 208.349 1.846 20 0 BDADHO N[C@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698348 712448812 /nfs/dbraw/zinc/44/88/12/712448812.db2.gz YFQSBRYCKHXFKS-AGIUHOORSA-N 1 3 208.349 1.846 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713588927 712465912 /nfs/dbraw/zinc/46/59/12/712465912.db2.gz YGWQFHOKMFDBJT-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000714622835 712488925 /nfs/dbraw/zinc/48/89/25/712488925.db2.gz BULVSWBRPDLIMS-BJDJZHNGSA-N 1 3 212.337 1.128 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000715509657 712524341 /nfs/dbraw/zinc/52/43/41/712524341.db2.gz NWCWXGUUHZIJIW-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715567464 712528838 /nfs/dbraw/zinc/52/88/38/712528838.db2.gz DZZHXCYAXUMNLE-SYQHCUMBSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CCC[NH2+][C@H]1C ZINC000716843560 712578406 /nfs/dbraw/zinc/57/84/06/712578406.db2.gz KPFJVHOKFTWTGY-QJPTWQEYSA-N 1 3 214.353 1.268 20 0 BDADHO COC[C@@H](NC[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340353 712649661 /nfs/dbraw/zinc/64/96/61/712649661.db2.gz SBOAPIZYPIXKAA-WDEREUQCSA-N 1 3 248.317 1.246 20 0 BDADHO CSCC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000719271339 712802694 /nfs/dbraw/zinc/80/26/94/712802694.db2.gz LZWPTWCHCVVFML-YPMHNXCESA-N 1 3 242.432 1.917 20 0 BDADHO CC(C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720294609 712830368 /nfs/dbraw/zinc/83/03/68/712830368.db2.gz LLWWWZIDGYHMLH-LLVKDONJSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H](C)[C@@H](CN)C1)C(C)C ZINC000721963721 710694680 /nfs/dbraw/zinc/69/46/80/710694680.db2.gz LDXYPUIHVWRJTG-IHRRRGAJSA-N 1 3 242.407 1.822 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H](C)[C@@H](CN)C1)C(C)C ZINC000721963721 710694683 /nfs/dbraw/zinc/69/46/83/710694683.db2.gz LDXYPUIHVWRJTG-IHRRRGAJSA-N 1 3 242.407 1.822 20 0 BDADHO C1CCC(N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000382117183 710794372 /nfs/dbraw/zinc/79/43/72/710794372.db2.gz FTQKWNLVVBCPFA-MNSQCTGESA-N 1 3 206.333 1.515 20 0 BDADHO CC[C@H](CCO)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396716766 710906568 /nfs/dbraw/zinc/90/65/68/710906568.db2.gz UEBIIDMRLFSDES-TUAOUCFPSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@H](CCO)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396716763 710906582 /nfs/dbraw/zinc/90/65/82/710906582.db2.gz UEBIIDMRLFSDES-IJLUTSLNSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cnn(C)c1 ZINC000385419366 711013049 /nfs/dbraw/zinc/01/30/49/711013049.db2.gz XVCQUAMHFIVXPF-HLVVYCRESA-N 1 3 248.374 1.696 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H](N)C(C)(C)C2)O1 ZINC000387948584 711049490 /nfs/dbraw/zinc/04/94/90/711049490.db2.gz AKLCZQMRTDUAMI-OUAUKWLOSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H](N)C(C)(C)C2)O1 ZINC000387948584 711049493 /nfs/dbraw/zinc/04/94/93/711049493.db2.gz AKLCZQMRTDUAMI-OUAUKWLOSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@H]1C[C@H](NCCOC2CCC2)CC[N@@H+]1C ZINC000390593260 711128518 /nfs/dbraw/zinc/12/85/18/711128518.db2.gz ZUWWFTUNGIMEIT-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]1C[C@H](NCCOC2CCC2)CC[N@H+]1C ZINC000390593260 711128520 /nfs/dbraw/zinc/12/85/20/711128520.db2.gz ZUWWFTUNGIMEIT-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO OCCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000390765897 711133685 /nfs/dbraw/zinc/13/36/85/711133685.db2.gz QNHKCMDPLYGKOR-BETUJISGSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@H](NCc1cn(C)cn1)C1CC[NH+](C)CC1 ZINC000396455784 711220730 /nfs/dbraw/zinc/22/07/30/711220730.db2.gz MOSZUTDVZSKQAP-LLVKDONJSA-N 1 3 236.363 1.240 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H](CO)C1 ZINC000396570263 711355270 /nfs/dbraw/zinc/35/52/70/711355270.db2.gz AJWPNBWJWKPXCO-CYDGBPFRSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396594433 711358480 /nfs/dbraw/zinc/35/84/80/711358480.db2.gz DSGDQLDOXJCSGB-SDDRHHMPSA-N 1 3 228.380 1.514 20 0 BDADHO CC1CCN(CCN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396602888 711358818 /nfs/dbraw/zinc/35/88/18/711358818.db2.gz NYNLALBWAKTKMN-ZIAGYGMSSA-N 1 3 239.407 1.448 20 0 BDADHO C[N@@H+]1CCC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000392655235 711149819 /nfs/dbraw/zinc/14/98/19/711149819.db2.gz XGHUUMZBSJIMEE-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO C[N@H+]1CCC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000392655235 711149820 /nfs/dbraw/zinc/14/98/20/711149820.db2.gz XGHUUMZBSJIMEE-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCN1CCCCC1 ZINC000396663555 711363267 /nfs/dbraw/zinc/36/32/67/711363267.db2.gz HPNXKUPOVZELRN-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC1 ZINC000382193017 711474058 /nfs/dbraw/zinc/47/40/58/711474058.db2.gz HYOWHSJXEMDYND-JZRPKSSGSA-N 1 3 206.333 1.373 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CSC2)C1 ZINC000307428581 711480335 /nfs/dbraw/zinc/48/03/35/711480335.db2.gz UEIPVOVGYVZGAT-ONGXEEELSA-N 1 3 214.378 1.564 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3c[nH]nc3c2)C1 ZINC000334847920 711718981 /nfs/dbraw/zinc/71/89/81/711718981.db2.gz YELZGBNHXCLKQC-CHWSQXEVSA-N 1 3 244.342 1.922 20 0 BDADHO C[C@H](NC[C@H]1CC[C@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325351 711737446 /nfs/dbraw/zinc/73/74/46/711737446.db2.gz PPAAEPCRZLBFCZ-ZWKOPEQDSA-N 1 3 224.348 1.142 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229066285 711837285 /nfs/dbraw/zinc/83/72/85/711837285.db2.gz JSDQYWJUGFUARG-PWSUYJOCSA-N 1 3 249.358 1.512 20 0 BDADHO COC1CC([NH2+]CC[C@H](C)N(C)C)C1 ZINC000700506893 711995552 /nfs/dbraw/zinc/99/55/52/711995552.db2.gz CRCPXGZEASIMHA-WHXUTIOJSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708348304 712190337 /nfs/dbraw/zinc/19/03/37/712190337.db2.gz MLFOAIQXHICKMT-AGIUHOORSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H](CN(C)C[C@H](O)C[NH3+])CC(C)(C)C ZINC000709133217 712210135 /nfs/dbraw/zinc/21/01/35/712210135.db2.gz YMHTUMKOUQUNEM-GHMZBOCLSA-N 1 3 216.369 1.310 20 0 BDADHO COCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000709285909 712219413 /nfs/dbraw/zinc/21/94/13/712219413.db2.gz QQLJPQCYWUSPIB-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO N[C@@H]1CCCCC[N@H+](CCOC2CC2)C1 ZINC000711775677 712328588 /nfs/dbraw/zinc/32/85/88/712328588.db2.gz AEKXWESSKPVMAA-LLVKDONJSA-N 1 3 212.337 1.369 20 0 BDADHO N[C@@H]1CCCCC[N@@H+](CCOC2CC2)C1 ZINC000711775677 712328590 /nfs/dbraw/zinc/32/85/90/712328590.db2.gz AEKXWESSKPVMAA-LLVKDONJSA-N 1 3 212.337 1.369 20 0 BDADHO CCc1cc(NC[C@H]2CCN2C)cc[nH+]1 ZINC000712592966 712435476 /nfs/dbraw/zinc/43/54/76/712435476.db2.gz VFYXBNKWTREMAJ-GFCCVEGCSA-N 1 3 205.305 1.182 20 0 BDADHO CCN1CC[C@@H]1CNc1cc[nH+]c(C)c1 ZINC000712566161 712446675 /nfs/dbraw/zinc/44/66/75/712446675.db2.gz VEIHGBKMXRKHLC-GFCCVEGCSA-N 1 3 205.305 1.318 20 0 BDADHO C[C@H]1CC[C@H](C[N@@H+]2CCNCCC23CCC3)O1 ZINC000713209541 712455142 /nfs/dbraw/zinc/45/51/42/712455142.db2.gz CIKWYQYNKAOPDM-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1CC[C@H](C[N@H+]2CCNCCC23CCC3)O1 ZINC000713209541 712455143 /nfs/dbraw/zinc/45/51/43/712455143.db2.gz CIKWYQYNKAOPDM-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO CN(CCCOC(F)(F)F)C1CC([NH3+])C1 ZINC000713415645 712459267 /nfs/dbraw/zinc/45/92/67/712459267.db2.gz PQRLEVMPLFBPGP-UHFFFAOYSA-N 1 3 226.242 1.334 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715421956 712518390 /nfs/dbraw/zinc/51/83/90/712518390.db2.gz DKCRZJWMJRFSFD-FMKGYKFTSA-N 1 3 238.375 1.471 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715391240 712522437 /nfs/dbraw/zinc/52/24/37/712522437.db2.gz DKCRZJWMJRFSFD-ZZVYKPCYSA-N 1 3 238.375 1.471 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715503841 712523853 /nfs/dbraw/zinc/52/38/53/712523853.db2.gz RJWDVNGCTHMBIL-WCFLWFBJSA-N 1 3 224.348 1.225 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715503829 712523959 /nfs/dbraw/zinc/52/39/59/712523959.db2.gz RJWDVNGCTHMBIL-CYZMBNFOSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715511681 712524590 /nfs/dbraw/zinc/52/45/90/712524590.db2.gz STZVTGUQECZCDC-GHYVTOPFSA-N 1 3 238.375 1.613 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715567464 712528837 /nfs/dbraw/zinc/52/88/37/712528837.db2.gz DZZHXCYAXUMNLE-SYQHCUMBSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CN ZINC000716549094 712567558 /nfs/dbraw/zinc/56/75/58/712567558.db2.gz ZFMGNBZYNKXRPO-QQOHENMQSA-N 1 3 222.376 1.996 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CCC[NH2+][C@H]1C ZINC000716843561 712578338 /nfs/dbraw/zinc/57/83/38/712578338.db2.gz KPFJVHOKFTWTGY-TUAOUCFPSA-N 1 3 214.353 1.268 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)C12CCC2 ZINC000717596176 712661045 /nfs/dbraw/zinc/66/10/45/712661045.db2.gz VKUOFOPPOYEKHR-TUAOUCFPSA-N 1 3 224.348 1.007 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CC(C)(C)CO1 ZINC000717647070 712663335 /nfs/dbraw/zinc/66/33/35/712663335.db2.gz BOWAAIKNICMSHS-MNOVXSKESA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)N1CCC([NH2+][C@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649988 712820710 /nfs/dbraw/zinc/82/07/10/712820710.db2.gz WKSJGIMEMSQEHL-OCCSQVGLSA-N 1 3 239.407 1.541 20 0 BDADHO CCC[C@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145240 712827868 /nfs/dbraw/zinc/82/78/68/712827868.db2.gz WBHBHZYZMQHVDI-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788243 712865382 /nfs/dbraw/zinc/86/53/82/712865382.db2.gz IUZIJSBIPIDZJG-NDBYEHHHSA-N 1 3 224.348 1.367 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788243 712865383 /nfs/dbraw/zinc/86/53/83/712865383.db2.gz IUZIJSBIPIDZJG-NDBYEHHHSA-N 1 3 224.348 1.367 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720873530 712873199 /nfs/dbraw/zinc/87/31/99/712873199.db2.gz QNLUBGZUGDVYCV-CRWXNKLISA-N 1 3 238.375 1.615 20 0 BDADHO CN(C)Cc1ccnc(N2CC[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001164418902 718896804 /nfs/dbraw/zinc/89/68/04/718896804.db2.gz GLUSXLLMFBFYGA-OCCSQVGLSA-N 1 3 246.358 1.071 20 0 BDADHO Cc1cnc(N2C[C@@H](C)N(C)C[C@@H]2C)c(C[NH3+])c1 ZINC001164633412 719224816 /nfs/dbraw/zinc/22/48/16/719224816.db2.gz DLRKJXDEKNQHQC-NEPJUHHUSA-N 1 3 248.374 1.378 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC000692998895 957413560 /nfs/dbraw/zinc/41/35/60/957413560.db2.gz QCMFCTOMDORRBP-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)[C@@H]1CCN ZINC000404412733 959249798 /nfs/dbraw/zinc/24/97/98/959249798.db2.gz DTONKUZPQQVSSN-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)[C@@H]1CCN ZINC000404412733 959249818 /nfs/dbraw/zinc/24/98/18/959249818.db2.gz DTONKUZPQQVSSN-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO CC[NH+](CC)C[C@H](C)Oc1ccnc(N)c1 ZINC001226657843 975006977 /nfs/dbraw/zinc/00/69/77/975006977.db2.gz SBGQIEBAHVYRLZ-JTQLQIEISA-N 1 3 223.320 1.773 20 0 BDADHO C[NH+]1CCC(CCN2CCOC(C)(C)C2)CC1 ZINC001207480239 960385379 /nfs/dbraw/zinc/38/53/79/960385379.db2.gz XURINAZDIMDNCA-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CF)C2)CCN1 ZINC000711468334 962718396 /nfs/dbraw/zinc/71/83/96/962718396.db2.gz WQPWNOWGMPMLDQ-UTUOFQBUSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CF)C2)CCN1 ZINC000711468334 962718401 /nfs/dbraw/zinc/71/84/01/962718401.db2.gz WQPWNOWGMPMLDQ-UTUOFQBUSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCCNC1CC1 ZINC000696779263 963477835 /nfs/dbraw/zinc/47/78/35/963477835.db2.gz QNLWDIHYIAYIIJ-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCNC1CC1 ZINC000696779263 963477847 /nfs/dbraw/zinc/47/78/47/963477847.db2.gz QNLWDIHYIAYIIJ-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1c[nH+]c(N2CC[C@@H](N)C(F)(F)C2)cc1C ZINC001166959673 966486771 /nfs/dbraw/zinc/48/67/71/966486771.db2.gz AVQFGVXTMQCXLT-SNVBAGLBSA-N 1 3 241.285 1.871 20 0 BDADHO C[C@H]1C[N@H+](C[C@@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001205130294 967376888 /nfs/dbraw/zinc/37/68/88/967376888.db2.gz ATXCMVSHVCUXBK-YNEHKIRRSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H]1C[N@@H+](C[C@@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001205130294 967376897 /nfs/dbraw/zinc/37/68/97/967376897.db2.gz ATXCMVSHVCUXBK-YNEHKIRRSA-N 1 3 240.391 1.718 20 0 BDADHO CCCC[C@H](O)C[NH2+]CC[C@@H]1CCCN1C ZINC001252113368 968600309 /nfs/dbraw/zinc/60/03/09/968600309.db2.gz YPWFWTUZZZVAHP-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@H](O)CNCC[C@@H]1CCC[N@@H+]1C ZINC001252113368 968600317 /nfs/dbraw/zinc/60/03/17/968600317.db2.gz YPWFWTUZZZVAHP-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@H](O)CNCC[C@@H]1CCC[N@H+]1C ZINC001252113368 968600322 /nfs/dbraw/zinc/60/03/22/968600322.db2.gz YPWFWTUZZZVAHP-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO CCC(CC)[NH+]1CCC(NCC(C)(C)O)CC1 ZINC001252370033 968651556 /nfs/dbraw/zinc/65/15/56/968651556.db2.gz IITCWPSRESANIU-UHFFFAOYSA-N 1 3 242.407 2.000 20 0 BDADHO CCC(CC)N1CCC([NH2+]CC(C)(C)O)CC1 ZINC001252370033 968651559 /nfs/dbraw/zinc/65/15/59/968651559.db2.gz IITCWPSRESANIU-UHFFFAOYSA-N 1 3 242.407 2.000 20 0 BDADHO C[NH+]1CCC(CCN2CC[C@@](F)(CO)C2)CC1 ZINC001207480008 968796612 /nfs/dbraw/zinc/79/66/12/968796612.db2.gz SORNXGWAHDRRAD-ZDUSSCGKSA-N 1 3 244.354 1.125 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC001255941401 970567250 /nfs/dbraw/zinc/56/72/50/970567250.db2.gz PWVNQPVTCHGTTE-YNEHKIRRSA-N 1 3 228.380 1.610 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[C@H]1O ZINC001255941401 970567260 /nfs/dbraw/zinc/56/72/60/970567260.db2.gz PWVNQPVTCHGTTE-YNEHKIRRSA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC001255941650 970570145 /nfs/dbraw/zinc/57/01/45/970570145.db2.gz WCKKKGWNIHGOLP-CHWSQXEVSA-N 1 3 230.396 1.713 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@H](O)C1CC1 ZINC001255949992 970581288 /nfs/dbraw/zinc/58/12/88/970581288.db2.gz DOQAPAAOPPONEM-AAEUAGOBSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H](O)C1CC1 ZINC001255949992 970581299 /nfs/dbraw/zinc/58/12/99/970581299.db2.gz DOQAPAAOPPONEM-AAEUAGOBSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC001255955559 970582100 /nfs/dbraw/zinc/58/21/00/970582100.db2.gz BSBVIUAGJMYAGG-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC001255955559 970582105 /nfs/dbraw/zinc/58/21/05/970582105.db2.gz BSBVIUAGJMYAGG-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC1(O)CCC1 ZINC001255947175 970583979 /nfs/dbraw/zinc/58/39/79/970583979.db2.gz OZKIIIIZJSOVRF-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCC1(O)CCC1 ZINC001255947175 970583982 /nfs/dbraw/zinc/58/39/82/970583982.db2.gz OZKIIIIZJSOVRF-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@](C)(CO)C1 ZINC001255956508 970594734 /nfs/dbraw/zinc/59/47/34/970594734.db2.gz KUSNERYUAWSEKL-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@](C)(CO)C1 ZINC001255956508 970594743 /nfs/dbraw/zinc/59/47/43/970594743.db2.gz KUSNERYUAWSEKL-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956992 970597130 /nfs/dbraw/zinc/59/71/30/970597130.db2.gz NVHRUZJTNGUCAK-IHRRRGAJSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956992 970597138 /nfs/dbraw/zinc/59/71/38/970597138.db2.gz NVHRUZJTNGUCAK-IHRRRGAJSA-N 1 3 242.407 1.952 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1[C@@H](C)CC[C@H]1CO ZINC001255956992 970597145 /nfs/dbraw/zinc/59/71/45/970597145.db2.gz NVHRUZJTNGUCAK-IHRRRGAJSA-N 1 3 242.407 1.952 20 0 BDADHO C[NH+]1CCC(N2CCC3(COC3)CC2)CC1 ZINC001256201538 970694875 /nfs/dbraw/zinc/69/48/75/970694875.db2.gz HHCBNURZSXNEFC-UHFFFAOYSA-N 1 3 224.348 1.193 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC001256207734 970714430 /nfs/dbraw/zinc/71/44/30/970714430.db2.gz PRPZPNUEZDJWFT-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC001256207734 970714446 /nfs/dbraw/zinc/71/44/46/970714446.db2.gz PRPZPNUEZDJWFT-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO NC1CC([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC001173043165 975014515 /nfs/dbraw/zinc/01/45/15/975014515.db2.gz WPFSALQOZOJIPT-UHFFFAOYSA-N 1 3 238.375 1.805 20 0 BDADHO CCc1ccc(C[C@H](C)NC[C@@H](O)C[NH3+])cc1 ZINC001173239250 975166346 /nfs/dbraw/zinc/16/63/46/975166346.db2.gz PCFDDHHBDCUQJZ-FZMZJTMJSA-N 1 3 236.359 1.089 20 0 BDADHO CO[C@H]1CCC[C@@H]2CN(C[C@@H](C)[NH3+])C[C@@H]21 ZINC001235624976 979105860 /nfs/dbraw/zinc/10/58/60/979105860.db2.gz NJTMXPRVEXGUBU-WYUUTHIRSA-N 1 3 212.337 1.081 20 0 BDADHO [NH3+]CCCCN1CCc2cc(F)ccc2C1 ZINC001236093218 979385773 /nfs/dbraw/zinc/38/57/73/979385773.db2.gz HUXIBJTUBKRLKM-UHFFFAOYSA-N 1 3 222.307 1.923 20 0 BDADHO c1coc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236320607 979531123 /nfs/dbraw/zinc/53/11/23/979531123.db2.gz RJAXTSGWPDZDTR-PHIMTYICSA-N 1 3 221.304 1.106 20 0 BDADHO OCCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236369642 979570603 /nfs/dbraw/zinc/57/06/03/979570603.db2.gz BDHMIJASZRGEQZ-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO OCCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236369642 979570611 /nfs/dbraw/zinc/57/06/11/979570611.db2.gz BDHMIJASZRGEQZ-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO CO[C@@H]1CN(C[C@@H]2CCC(C)=C[C@@H]2C)C[C@@H]1[NH3+] ZINC001237101492 979815388 /nfs/dbraw/zinc/81/53/88/979815388.db2.gz GDUVAGMUBSMJMU-XDQVBPFNSA-N 1 3 238.375 1.637 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056991 980329516 /nfs/dbraw/zinc/32/95/16/980329516.db2.gz BERAAWPZTFVZOX-QJPTWQEYSA-N 1 3 243.395 1.240 20 0 BDADHO CN1CC2(C1)CC[NH+](CCC(F)(F)F)CC2 ZINC001202353034 983635097 /nfs/dbraw/zinc/63/50/97/983635097.db2.gz YISBUWOHCBKLPM-UHFFFAOYSA-N 1 3 236.281 1.966 20 0 BDADHO CC(C)C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC001573506888 984033560 /nfs/dbraw/zinc/03/35/60/984033560.db2.gz VAIIWSHPKPHTFG-MELADBBJSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)COCC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001172463434 974827231 /nfs/dbraw/zinc/82/72/31/974827231.db2.gz OKHBQCGKHPTSNM-OLZOCXBDSA-N 1 3 230.396 1.964 20 0 BDADHO CC(C)COCC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172463434 974827239 /nfs/dbraw/zinc/82/72/39/974827239.db2.gz OKHBQCGKHPTSNM-OLZOCXBDSA-N 1 3 230.396 1.964 20 0 BDADHO CC(C)COCC[C@H](C)[NH2+]C[C@H](C)CN ZINC001172463387 974827384 /nfs/dbraw/zinc/82/73/84/974827384.db2.gz NQGZHEINWXIKAG-NEPJUHHUSA-N 1 3 216.369 1.622 20 0 BDADHO CC(C)COCC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172463435 974828602 /nfs/dbraw/zinc/82/86/02/974828602.db2.gz OKHBQCGKHPTSNM-QWHCGFSZSA-N 1 3 230.396 1.964 20 0 BDADHO CC(C)COCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172463435 974828605 /nfs/dbraw/zinc/82/86/05/974828605.db2.gz OKHBQCGKHPTSNM-QWHCGFSZSA-N 1 3 230.396 1.964 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](C)(O)C2)CCN1 ZINC001246548269 972681538 /nfs/dbraw/zinc/68/15/38/972681538.db2.gz JYPVBDCPYCPAND-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](C)(O)C2)CCN1 ZINC001246548269 972681544 /nfs/dbraw/zinc/68/15/44/972681544.db2.gz JYPVBDCPYCPAND-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001246588512 972985858 /nfs/dbraw/zinc/98/58/58/972985858.db2.gz QJLNWZGGLYYZQX-XQQFMLRXSA-N 1 3 243.370 1.232 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001246588512 972985869 /nfs/dbraw/zinc/98/58/69/972985869.db2.gz QJLNWZGGLYYZQX-XQQFMLRXSA-N 1 3 243.370 1.232 20 0 BDADHO [NH3+][C@]12C[C@H]1CN(C1CCC(F)(F)CC1)C2 ZINC001246871546 973247258 /nfs/dbraw/zinc/24/72/58/973247258.db2.gz QKYQHSYQQPEIEA-WPRPVWTQSA-N 1 3 216.275 1.597 20 0 BDADHO C1[C@H]2CC[C@@H](N[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C[C@@H]12 ZINC000403359934 970917806 /nfs/dbraw/zinc/91/78/06/970917806.db2.gz HIMGUIXIMFZBSA-XJKOARGCSA-N 1 3 232.371 1.761 20 0 BDADHO C[C@@H](Cc1ccncc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001256732131 970958454 /nfs/dbraw/zinc/95/84/54/970958454.db2.gz AYUXMKWMJZRHEW-WCFLWFBJSA-N 1 3 219.332 1.482 20 0 BDADHO CC(C)[NH+]1CCC(n2ncc3c2CCNC3)CC1 ZINC001257214944 971129112 /nfs/dbraw/zinc/12/91/12/971129112.db2.gz OUULMKBSNVSOON-UHFFFAOYSA-N 1 3 248.374 1.574 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001257217825 971134863 /nfs/dbraw/zinc/13/48/63/971134863.db2.gz PDEJDPZZVKOPIZ-GXTWGEPZSA-N 1 3 240.391 1.704 20 0 BDADHO CC(C)(O)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313191 971230967 /nfs/dbraw/zinc/23/09/67/971230967.db2.gz PZROGHCTWUJDKN-VHSXEESVSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCSC2)C12CCC2 ZINC000405329052 971238516 /nfs/dbraw/zinc/23/85/16/971238516.db2.gz VVGDBELJSZAWST-BBBLOLIVSA-N 1 3 212.362 1.351 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405361569 971240656 /nfs/dbraw/zinc/24/06/56/971240656.db2.gz ULVUEDWPZHDPRA-MXWKQRLJSA-N 1 3 212.337 1.007 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405351468 971241331 /nfs/dbraw/zinc/24/13/31/971241331.db2.gz OKTGMWMTTPZUKO-GHMZBOCLSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405361567 971241832 /nfs/dbraw/zinc/24/18/32/971241832.db2.gz ULVUEDWPZHDPRA-AXFHLTTASA-N 1 3 212.337 1.007 20 0 BDADHO CCC[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405392340 971247340 /nfs/dbraw/zinc/24/73/40/971247340.db2.gz HBSKLVSDDGMTKC-UTUOFQBUSA-N 1 3 226.364 1.661 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)OC ZINC000405392340 971247353 /nfs/dbraw/zinc/24/73/53/971247353.db2.gz HBSKLVSDDGMTKC-UTUOFQBUSA-N 1 3 226.364 1.661 20 0 BDADHO CCOC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)C(C)C ZINC000405357092 971244466 /nfs/dbraw/zinc/24/44/66/971244466.db2.gz RRKPEUPFJWNKGY-YNEHKIRRSA-N 1 3 240.391 1.907 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405411544 971254975 /nfs/dbraw/zinc/25/49/75/971254975.db2.gz NGBCXAZPETVUEF-TUAOUCFPSA-N 1 3 226.364 1.253 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405411544 971254982 /nfs/dbraw/zinc/25/49/82/971254982.db2.gz NGBCXAZPETVUEF-TUAOUCFPSA-N 1 3 226.364 1.253 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCc2ccc(O)cc2)C12CCC2 ZINC000405536161 971267580 /nfs/dbraw/zinc/26/75/80/971267580.db2.gz ZQHPBMDKYQXZFB-KGLIPLIRSA-N 1 3 246.354 1.794 20 0 BDADHO CC[C@@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001257443861 971359001 /nfs/dbraw/zinc/35/90/01/971359001.db2.gz YQSANFBLJOGPPI-GFCCVEGCSA-N 1 3 215.385 1.210 20 0 BDADHO C[C@@H](OC[C@H]1COC(C)(C)N1)C1CC[NH2+]CC1 ZINC001217777534 971399679 /nfs/dbraw/zinc/39/96/79/971399679.db2.gz LMSQZBUYLOEAQV-PWSUYJOCSA-N 1 3 242.363 1.116 20 0 BDADHO CN(CCC[NH+](C)C)[C@H]1CCCSC1 ZINC001257668403 971471058 /nfs/dbraw/zinc/47/10/58/971471058.db2.gz QSDXATPASFIIKL-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257673995 971478019 /nfs/dbraw/zinc/47/80/19/971478019.db2.gz PYWXCLASQPTWMP-AGIUHOORSA-N 1 3 240.416 1.766 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCSC3)C[C@@H]2C1 ZINC001257673995 971478024 /nfs/dbraw/zinc/47/80/24/971478024.db2.gz PYWXCLASQPTWMP-AGIUHOORSA-N 1 3 240.416 1.766 20 0 BDADHO CCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099311 974340657 /nfs/dbraw/zinc/34/06/57/974340657.db2.gz HEAKSWQCPBISLZ-CLLJXQQHSA-N 1 3 226.364 1.628 20 0 BDADHO CCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099311 974340661 /nfs/dbraw/zinc/34/06/61/974340661.db2.gz HEAKSWQCPBISLZ-CLLJXQQHSA-N 1 3 226.364 1.628 20 0 BDADHO CN1CC(CNc2cc(C[NH+](C)C)ccn2)C1 ZINC001159222472 971749680 /nfs/dbraw/zinc/74/96/80/971749680.db2.gz NWYPYIBNOUGODK-UHFFFAOYSA-N 1 3 234.347 1.117 20 0 BDADHO C[C@@H]1[NH2+]C[C@H]1Oc1cccc2c1CNC2 ZINC001218384111 971759560 /nfs/dbraw/zinc/75/95/60/971759560.db2.gz CIFYLGQBTBBBJX-QPUJVOFHSA-N 1 3 204.273 1.029 20 0 BDADHO C[C@H]1[NH2+]C[C@H]1Oc1cccc2c1CNC2 ZINC001218384110 971761239 /nfs/dbraw/zinc/76/12/39/971761239.db2.gz CIFYLGQBTBBBJX-PRHODGIISA-N 1 3 204.273 1.029 20 0 BDADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccsc1 ZINC001218535864 971855530 /nfs/dbraw/zinc/85/55/30/971855530.db2.gz MWDYQGVEXOKLIJ-VIFPVBQESA-N 1 3 227.333 1.143 20 0 BDADHO CCCCC[NH2+]CCNC(=O)CN(CC)CC ZINC001135513774 971909096 /nfs/dbraw/zinc/90/90/96/971909096.db2.gz YJCLYRFZKOLNQI-UHFFFAOYSA-N 1 3 243.395 1.224 20 0 BDADHO CCN(CC)CC(=O)NCC[NH2+]CCC(C)C ZINC001135513738 971909599 /nfs/dbraw/zinc/90/95/99/971909599.db2.gz WWHYMRRKGDBLSJ-UHFFFAOYSA-N 1 3 243.395 1.080 20 0 BDADHO CC[C@H](C)OCC[C@H](C)[NH2+]C1CC(N)C1 ZINC001172346377 974615564 /nfs/dbraw/zinc/61/55/64/974615564.db2.gz ZLNPAKANVIFXSE-JYBOHDQNSA-N 1 3 214.353 1.659 20 0 BDADHO CC[C@H](C)OCC[C@H](C)NC1CC([NH3+])C1 ZINC001172346377 974615566 /nfs/dbraw/zinc/61/55/66/974615566.db2.gz ZLNPAKANVIFXSE-JYBOHDQNSA-N 1 3 214.353 1.659 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1cccc2c1CC=C2 ZINC001170899712 972062209 /nfs/dbraw/zinc/06/22/09/972062209.db2.gz DTYQTZZEBDOUBP-CYBMUJFWSA-N 1 3 217.316 1.692 20 0 BDADHO Cc1c2[nH]ccc2ccc1N[C@H](N)CCC[NH3+] ZINC001170902161 972074434 /nfs/dbraw/zinc/07/44/34/972074434.db2.gz BRAMAAWBBFEGNA-LBPRGKRZSA-N 1 3 232.331 1.912 20 0 BDADHO CC1(C)C[C@H](NC[C@H]2CCC[NH2+]C2)CO1 ZINC000396511153 956896786 /nfs/dbraw/zinc/89/67/86/956896786.db2.gz XMPJXJIZPQHECS-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246235247 972240922 /nfs/dbraw/zinc/24/09/22/972240922.db2.gz GHLXCWWKQWSZAE-RVMXOQNASA-N 1 3 226.364 1.674 20 0 BDADHO COc1ccc2c(c1)C[C@H](NCC[C@H](C)[NH3+])C2 ZINC001246303245 972265058 /nfs/dbraw/zinc/26/50/58/972265058.db2.gz FEQVKHXSZKTHQV-GXFFZTMASA-N 1 3 234.343 1.489 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCCN(C)CC2)CC1 ZINC000086818840 957696366 /nfs/dbraw/zinc/69/63/66/957696366.db2.gz GHTMNBFHXWJNLD-ZDUSSCGKSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[C@@H](CCO)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246358439 972303208 /nfs/dbraw/zinc/30/32/08/972303208.db2.gz FFSMSIJLNXZKOP-SDDRHHMPSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246454035 972323871 /nfs/dbraw/zinc/32/38/71/972323871.db2.gz BXLPBDGIAYMQSM-UJPOAAIJSA-N 1 3 208.349 1.905 20 0 BDADHO C[N@H+](CCCN)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693352803 958251805 /nfs/dbraw/zinc/25/18/05/958251805.db2.gz ZQPHXBPICPELNX-ILWJIGKKSA-N 1 3 218.291 1.558 20 0 BDADHO C[N@@H+](CCCN)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693352803 958251818 /nfs/dbraw/zinc/25/18/18/958251818.db2.gz ZQPHXBPICPELNX-ILWJIGKKSA-N 1 3 218.291 1.558 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@]23CCCOC3)CC[NH2+]1 ZINC001246465289 972341628 /nfs/dbraw/zinc/34/16/28/972341628.db2.gz MEEGETHMIJQWQW-NDBYEHHHSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]23CCCOC3)CCN1 ZINC001246465289 972341632 /nfs/dbraw/zinc/34/16/32/972341632.db2.gz MEEGETHMIJQWQW-NDBYEHHHSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CCN1 ZINC000707564113 958587881 /nfs/dbraw/zinc/58/78/81/958587881.db2.gz KIWREYDVEYAZHL-IJLUTSLNSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CCN1 ZINC000707564113 958587895 /nfs/dbraw/zinc/58/78/95/958587895.db2.gz KIWREYDVEYAZHL-IJLUTSLNSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@@]1(C)O ZINC001207276451 958850241 /nfs/dbraw/zinc/85/02/41/958850241.db2.gz WWSPKQUPOVIIOX-GXTWGEPZSA-N 1 3 242.407 1.667 20 0 BDADHO Cc1csc(CN2CC[C@H](CC[NH3+])C2)n1 ZINC000690740263 958878036 /nfs/dbraw/zinc/87/80/36/958878036.db2.gz TWILOJUDGCKZHW-JTQLQIEISA-N 1 3 225.361 1.622 20 0 BDADHO CO[C@@H](C)C1C[NH+](CC(C)(C)CN(C)C)C1 ZINC001207289143 958888257 /nfs/dbraw/zinc/88/82/57/958888257.db2.gz ZWPJBVYWNXZWCX-NSHDSACASA-N 1 3 228.380 1.541 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C(C)(C)CO ZINC000926473603 959273858 /nfs/dbraw/zinc/27/38/58/959273858.db2.gz MBSNQVGTFFPSKX-WDEREUQCSA-N 1 3 216.369 1.181 20 0 BDADHO C1=CC[C@@H]2CN(CC34CC(C3)C[NH2+]4)C[C@@H]2C1 ZINC000694533239 959907637 /nfs/dbraw/zinc/90/76/37/959907637.db2.gz LJQHHIQVCWYFCC-AKJUYKBHSA-N 1 3 218.344 1.636 20 0 BDADHO [NH3+]CCc1ccn(-c2c[nH]cc3ccnc2-3)n1 ZINC001167730200 960264412 /nfs/dbraw/zinc/26/44/12/960264412.db2.gz FBKBPSNCZQIINZ-UHFFFAOYSA-N 1 3 227.271 1.250 20 0 BDADHO C[C@@H]1C[C@H](NCCN2CCCCC2)CC[NH2+]1 ZINC000709376052 960537278 /nfs/dbraw/zinc/53/72/78/960537278.db2.gz PLXJOLCHFCRFPS-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1C[C@H](NCC2SCCS2)CC[N@@H+]1C ZINC000692903988 961210542 /nfs/dbraw/zinc/21/05/42/961210542.db2.gz HKTWVIVLDSJLIG-NXEZZACHSA-N 1 3 246.445 1.865 20 0 BDADHO C[C@@H]1C[C@H](NCC2SCCS2)CC[N@H+]1C ZINC000692903988 961210556 /nfs/dbraw/zinc/21/05/56/961210556.db2.gz HKTWVIVLDSJLIG-NXEZZACHSA-N 1 3 246.445 1.865 20 0 BDADHO [NH3+]C[C@H]1CCCCN(Cc2ccc3n2CCC3)C1 ZINC001206648686 962608900 /nfs/dbraw/zinc/60/89/00/962608900.db2.gz OKKICQKJFXAQKT-CYBMUJFWSA-N 1 3 247.386 1.995 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712769359 962975094 /nfs/dbraw/zinc/97/50/94/962975094.db2.gz STYXGGIGLULXPZ-NEPJUHHUSA-N 1 3 240.347 1.095 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712769359 962975102 /nfs/dbraw/zinc/97/51/02/962975102.db2.gz STYXGGIGLULXPZ-NEPJUHHUSA-N 1 3 240.347 1.095 20 0 BDADHO CC(C)N(CCC[NH3+])c1cccc(N)n1 ZINC001156118901 963264321 /nfs/dbraw/zinc/26/43/21/963264321.db2.gz ZFECIQXQZCNPPR-UHFFFAOYSA-N 1 3 208.309 1.227 20 0 BDADHO C[C@H](CO)[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000696779263 963477824 /nfs/dbraw/zinc/47/78/24/963477824.db2.gz QNLWDIHYIAYIIJ-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1nc(N[C@H]2C[NH2+]CC[C@H]2F)cc2[nH]ccc21 ZINC001157450106 963607877 /nfs/dbraw/zinc/60/78/77/963607877.db2.gz GTYASQUJJMICBI-PWSUYJOCSA-N 1 3 248.305 1.983 20 0 BDADHO COC(C)(C)CN(C)C[C@H]1CCCC[NH2+]C1 ZINC000697036388 963665739 /nfs/dbraw/zinc/66/57/39/963665739.db2.gz KWFXCBNFFZTYNK-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cnc(N(C(C)C)[C@@H]2CC[NH2+]C2)cc1N ZINC001158032641 963794472 /nfs/dbraw/zinc/79/44/72/963794472.db2.gz JUMZYAVRBBDLAW-LLVKDONJSA-N 1 3 234.347 1.549 20 0 BDADHO CC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001482573183 963803966 /nfs/dbraw/zinc/80/39/66/963803966.db2.gz VJVAKBORUYBQOV-LBPRGKRZSA-N 1 3 243.395 1.077 20 0 BDADHO Cc1cnc(N(C)C(C)(C)C[NH3+])cc1N ZINC001159055853 963985542 /nfs/dbraw/zinc/98/55/42/963985542.db2.gz ZIWVHOGEYNOLOY-UHFFFAOYSA-N 1 3 208.309 1.146 20 0 BDADHO Cc1c2[nH]cnc2ccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227294 964006594 /nfs/dbraw/zinc/00/65/94/964006594.db2.gz YZSJJVDQIGXEHX-SKDRFNHKSA-N 1 3 248.305 1.983 20 0 BDADHO C[C@@H]([NH3+])CCNc1cccc(N(C)C)n1 ZINC001159774644 964192350 /nfs/dbraw/zinc/19/23/50/964192350.db2.gz ILZLJVGLQPLUHR-SECBINFHSA-N 1 3 208.309 1.297 20 0 BDADHO CN(C(=O)[C@H](N)C(C)(C)C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161062917 964511259 /nfs/dbraw/zinc/51/12/59/964511259.db2.gz LARZZJHWSFFBIC-VWYCJHECSA-N 1 3 241.379 1.088 20 0 BDADHO c1nocc1CC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168365785 964727924 /nfs/dbraw/zinc/72/79/24/964727924.db2.gz WVLHZSMWGWEQNZ-UHFFFAOYSA-N 1 3 249.358 1.681 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CO[C@H]1CN2CCC1CC2 ZINC001224700886 964887791 /nfs/dbraw/zinc/88/77/91/964887791.db2.gz BVPHTCKMTDXHIU-KBPBESRZSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCCC[C@H]1CO[C@H]1CN2CCC1CC2 ZINC001224700886 964887792 /nfs/dbraw/zinc/88/77/92/964887792.db2.gz BVPHTCKMTDXHIU-KBPBESRZSA-N 1 3 238.375 1.582 20 0 BDADHO CN(C)/C=C/c1ccncc1-n1cnc(C[NH3+])c1 ZINC001162304495 964918707 /nfs/dbraw/zinc/91/87/07/964918707.db2.gz KFLHJRBEXRSKEE-GQCTYLIASA-N 1 3 243.314 1.258 20 0 BDADHO NCc1cn(-c2ccc([C@H]3CCC[NH2+]3)cc2)cn1 ZINC001162303954 964919549 /nfs/dbraw/zinc/91/95/49/964919549.db2.gz BGLJFVFUMIRNPH-CQSZACIVSA-N 1 3 242.326 1.756 20 0 BDADHO CC1(CCN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000698094246 964998268 /nfs/dbraw/zinc/99/82/68/964998268.db2.gz ZPWOSDKYFUAYAA-JZRPKSSGSA-N 1 3 220.360 1.763 20 0 BDADHO COC[C@H]1CC[N@@H+]1C1CCN(CC2CC2)CC1 ZINC001168395207 965141264 /nfs/dbraw/zinc/14/12/64/965141264.db2.gz QGDLQMUQBBVBRV-CQSZACIVSA-N 1 3 238.375 1.582 20 0 BDADHO COC[C@H]1CC[N@H+]1C1CCN(CC2CC2)CC1 ZINC001168395207 965141281 /nfs/dbraw/zinc/14/12/81/965141281.db2.gz QGDLQMUQBBVBRV-CQSZACIVSA-N 1 3 238.375 1.582 20 0 BDADHO Nc1ccnc(N[C@H](C[NH3+])c2ccccc2)c1 ZINC001163292857 965326199 /nfs/dbraw/zinc/32/61/99/965326199.db2.gz XDUIYMADTPYWKS-GFCCVEGCSA-N 1 3 228.299 1.776 20 0 BDADHO C[NH2+]CCN(C)c1cc2[nH]ccc2c(C)n1 ZINC001163721327 965536344 /nfs/dbraw/zinc/53/63/44/965536344.db2.gz WQMBCZAKFWIINA-UHFFFAOYSA-N 1 3 218.304 1.527 20 0 BDADHO C[C@@H](C[NH+](C)C)Nc1c[nH]cc2ccnc1-2 ZINC001163776547 965581740 /nfs/dbraw/zinc/58/17/40/965581740.db2.gz CWBGCGYJQOULLB-VIFPVBQESA-N 1 3 218.304 1.925 20 0 BDADHO C[C@@H](C[NH+](C)C)Nc1cncc2cc[nH]c21 ZINC001163776547 965581757 /nfs/dbraw/zinc/58/17/57/965581757.db2.gz CWBGCGYJQOULLB-VIFPVBQESA-N 1 3 218.304 1.925 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(N)ccn2)C1 ZINC001164063299 965724506 /nfs/dbraw/zinc/72/45/06/965724506.db2.gz RJXPLFMVDJJYSF-KOLCDFICSA-N 1 3 220.320 1.227 20 0 BDADHO C[C@H]1CN(Cc2cccn2C)C[C@H]1C[NH3+] ZINC001205131199 965938345 /nfs/dbraw/zinc/93/83/45/965938345.db2.gz TXWKIIWUSGYBGR-WDEREUQCSA-N 1 3 207.321 1.052 20 0 BDADHO CC1(O)CC[NH+](C[C@H](N)Cc2ccccc2)CC1 ZINC001205171432 966210908 /nfs/dbraw/zinc/21/09/08/966210908.db2.gz QGGKCDHJNLJQJH-CQSZACIVSA-N 1 3 248.370 1.403 20 0 BDADHO [NH3+]CCc1nccn1-c1c[nH]cc2ccnc1-2 ZINC001166370281 966273718 /nfs/dbraw/zinc/27/37/18/966273718.db2.gz VNPZUPRCUAQANP-UHFFFAOYSA-N 1 3 227.271 1.250 20 0 BDADHO [NH3+]CCc1nccn1-c1cncc2cc[nH]c21 ZINC001166370281 966273729 /nfs/dbraw/zinc/27/37/29/966273729.db2.gz VNPZUPRCUAQANP-UHFFFAOYSA-N 1 3 227.271 1.250 20 0 BDADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc(CN)n1 ZINC001168601215 966970916 /nfs/dbraw/zinc/97/09/16/966970916.db2.gz NCQRWZBDSIOGHD-STQMWFEESA-N 1 3 248.374 1.825 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715561004 967184122 /nfs/dbraw/zinc/18/41/22/967184122.db2.gz GDTCHPVFXRTYLB-SDDRHHMPSA-N 1 3 214.353 1.220 20 0 BDADHO C[C@H]1CN(Cc2c[nH]c3cnccc23)C[C@H]1C[NH3+] ZINC001205146635 967389390 /nfs/dbraw/zinc/38/93/90/967389390.db2.gz ZSFGWQULTWOAIG-WDEREUQCSA-N 1 3 244.342 1.590 20 0 BDADHO C1COC2(CCC([NH2+]C3CCNCC3)CC2)O1 ZINC000715730550 967430279 /nfs/dbraw/zinc/43/02/79/967430279.db2.gz ILDPJOVMAUQSEN-UHFFFAOYSA-N 1 3 240.347 1.014 20 0 BDADHO C[C@@]1([NH3+])CCCN(Cc2ccccc2N)CC1 ZINC001205287901 967483851 /nfs/dbraw/zinc/48/38/51/967483851.db2.gz CVBDONLAVHCUJV-CQSZACIVSA-N 1 3 233.359 1.972 20 0 BDADHO [NH3+]C[C@@]1(O)CCCCN(CCc2ccccc2)C1 ZINC001205663378 967749943 /nfs/dbraw/zinc/74/99/43/967749943.db2.gz IVBRDQDTPNHBSS-HNNXBMFYSA-N 1 3 248.370 1.405 20 0 BDADHO C[C@H]1CN(Cc2ncco2)CCC[C@@H]1C[NH3+] ZINC001206003765 967956058 /nfs/dbraw/zinc/95/60/58/967956058.db2.gz MHWLPEXEWKKADE-WDEREUQCSA-N 1 3 223.320 1.481 20 0 BDADHO Cc1cnccc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206165779 968102836 /nfs/dbraw/zinc/10/28/36/968102836.db2.gz OTWFLEBDWBFWTE-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cnccc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206165779 968102851 /nfs/dbraw/zinc/10/28/51/968102851.db2.gz OTWFLEBDWBFWTE-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cc(CN)nn1-c1ccc([C@H](C)[NH3+])cc1 ZINC001163985078 968150751 /nfs/dbraw/zinc/15/07/51/968150751.db2.gz HTRFGQOHZYGEHA-JTQLQIEISA-N 1 3 230.315 1.659 20 0 BDADHO CC1(C[N@@H+]2C[C@H](O)[C@@H](CN)C2)CCCCC1 ZINC001206512635 968346203 /nfs/dbraw/zinc/34/62/03/968346203.db2.gz RZLSBVLYGNHZMW-RYUDHWBXSA-N 1 3 226.364 1.208 20 0 BDADHO CC1(C[N@H+]2C[C@H](O)[C@@H](CN)C2)CCCCC1 ZINC001206512635 968346210 /nfs/dbraw/zinc/34/62/10/968346210.db2.gz RZLSBVLYGNHZMW-RYUDHWBXSA-N 1 3 226.364 1.208 20 0 BDADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(=O)[nH]c2)C1 ZINC001206616407 968420750 /nfs/dbraw/zinc/42/07/50/968420750.db2.gz NSZLTXAFHXAERR-NSHDSACASA-N 1 3 235.331 1.348 20 0 BDADHO CCCC[C@@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC001252090518 968512962 /nfs/dbraw/zinc/51/29/62/968512962.db2.gz LHJCSGGTTIEHDY-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCCC[C@@H](O)C[N@H+](C)CCCN1CCCC1 ZINC001252090518 968512956 /nfs/dbraw/zinc/51/29/56/968512956.db2.gz LHJCSGGTTIEHDY-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCCC[C@H](O)C[NH+]1C[C@@H]2CN(CC)C[C@H]2C1 ZINC001252096456 968579616 /nfs/dbraw/zinc/57/96/16/968579616.db2.gz CCGDDXIOIIEQIY-IHRRRGAJSA-N 1 3 240.391 1.421 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1cc[nH]c(=O)c1)CC2 ZINC001207123478 968645177 /nfs/dbraw/zinc/64/51/77/968645177.db2.gz OXLBUVBZOVMFDU-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO C[C@@H]1CCN(CC(C)(C)C[NH+](C)C)C[C@@]1(C)O ZINC001207278873 968711331 /nfs/dbraw/zinc/71/13/31/968711331.db2.gz FLJCGBICZACDLV-TZMCWYRMSA-N 1 3 242.407 1.667 20 0 BDADHO C[C@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@@H]1O ZINC001207276299 968712539 /nfs/dbraw/zinc/71/25/39/968712539.db2.gz VCHNPHOWKPYTID-RYUDHWBXSA-N 1 3 228.380 1.277 20 0 BDADHO COC[C@H]1CC[N@@H+]1CC(C)(C)CN(C)C ZINC001207284942 968718080 /nfs/dbraw/zinc/71/80/80/968718080.db2.gz VHVDHZYHBXNOJK-LLVKDONJSA-N 1 3 214.353 1.295 20 0 BDADHO COC[C@H]1CC[N@H+]1CC(C)(C)CN(C)C ZINC001207284942 968718083 /nfs/dbraw/zinc/71/80/83/968718083.db2.gz VHVDHZYHBXNOJK-LLVKDONJSA-N 1 3 214.353 1.295 20 0 BDADHO CC(C)OC1CN(CC2CC[NH2+]CC2)C1 ZINC001207440639 968773671 /nfs/dbraw/zinc/77/36/71/968773671.db2.gz ACEAIPTXNAICIP-UHFFFAOYSA-N 1 3 212.337 1.095 20 0 BDADHO CC[C@@H]1COCCN1CCC1CC[NH+](C)CC1 ZINC001207486569 968797356 /nfs/dbraw/zinc/79/73/56/968797356.db2.gz KMXVXGCBYMZJDR-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)cc(N(C)C)n1 ZINC001154977081 968829623 /nfs/dbraw/zinc/82/96/23/968829623.db2.gz MSYOQEOMOKVPJY-MNOVXSKESA-N 1 3 249.362 1.533 20 0 BDADHO CCCN(CCC[NH+](C)C)C[C@@H]1CCCO1 ZINC001207894697 968920726 /nfs/dbraw/zinc/92/07/26/968920726.db2.gz UKNXQSPPQLQSKH-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CC[N@H+](CCCN(C)C)C[C@H]1CCCCO1 ZINC001207961753 968961239 /nfs/dbraw/zinc/96/12/39/968961239.db2.gz ATVSPPXEKRNHTI-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CC[N@@H+](CCCN(C)C)C[C@H]1CCCCO1 ZINC001207961753 968961243 /nfs/dbraw/zinc/96/12/43/968961243.db2.gz ATVSPPXEKRNHTI-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN[C@H]1CC[C@@H](F)C1 ZINC001253202551 969105423 /nfs/dbraw/zinc/10/54/23/969105423.db2.gz KAZYSMWEIXXJSP-WOPDTQHZSA-N 1 3 232.343 1.169 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CC=CCC1 ZINC001253410662 969167250 /nfs/dbraw/zinc/16/72/50/969167250.db2.gz OVDWULFWOCHDER-RYUDHWBXSA-N 1 3 226.364 1.434 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@H]1CC=CCC1 ZINC001253410662 969167255 /nfs/dbraw/zinc/16/72/55/969167255.db2.gz OVDWULFWOCHDER-RYUDHWBXSA-N 1 3 226.364 1.434 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@H]1CCC=CO1)CC2 ZINC001208883354 969269065 /nfs/dbraw/zinc/26/90/65/969269065.db2.gz USSABGUYTNPTRV-CYBMUJFWSA-N 1 3 236.359 1.707 20 0 BDADHO CN(CCCc1ccncc1)CCC[NH+](C)C ZINC001209180614 969370811 /nfs/dbraw/zinc/37/08/11/969370811.db2.gz DCFXEYFXXNYODJ-UHFFFAOYSA-N 1 3 235.375 1.898 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096154 969387535 /nfs/dbraw/zinc/38/75/35/969387535.db2.gz VAEVIKBARYCQOI-LPWJVIDDSA-N 1 3 225.380 1.151 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1cnoc1)C2 ZINC001169116377 969412786 /nfs/dbraw/zinc/41/27/86/969412786.db2.gz QASQXWCKEJFESQ-XYYAHUGASA-N 1 3 235.331 1.432 20 0 BDADHO CC[NH+]1CCC(N2CCOC[C@@H](C)C2)CC1 ZINC001169246046 969533813 /nfs/dbraw/zinc/53/38/13/969533813.db2.gz NFZGLXDOIAIULP-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO Nc1ccncc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001209728134 969579851 /nfs/dbraw/zinc/57/98/51/969579851.db2.gz DMFGERNOVFWRCZ-BXUZGUMPSA-N 1 3 247.342 1.495 20 0 BDADHO Nc1ccncc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001209728134 969579854 /nfs/dbraw/zinc/57/98/54/969579854.db2.gz DMFGERNOVFWRCZ-BXUZGUMPSA-N 1 3 247.342 1.495 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001254529291 969727622 /nfs/dbraw/zinc/72/76/22/969727622.db2.gz LQOOGCWIFUJGDG-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001254529291 969727626 /nfs/dbraw/zinc/72/76/26/969727626.db2.gz LQOOGCWIFUJGDG-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@H](N)c1nccn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254832949 969795466 /nfs/dbraw/zinc/79/54/66/969795466.db2.gz KWRHMTXZONCQAJ-JQWIXIFHSA-N 1 3 234.347 1.560 20 0 BDADHO C[NH+](C)CCC(C)(C)Nc1cccc(CN)n1 ZINC001169717969 969832907 /nfs/dbraw/zinc/83/29/07/969832907.db2.gz LFWLDQRXYUAXST-UHFFFAOYSA-N 1 3 236.363 1.683 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@H]1CCCC2(C1)OCCO2 ZINC001169921718 969886933 /nfs/dbraw/zinc/88/69/33/969886933.db2.gz ATRQRKPAPVUERE-NEPJUHHUSA-N 1 3 242.363 1.199 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCCC2(C1)OCCO2 ZINC001169921718 969886937 /nfs/dbraw/zinc/88/69/37/969886937.db2.gz ATRQRKPAPVUERE-NEPJUHHUSA-N 1 3 242.363 1.199 20 0 BDADHO CN(c1c[nH]cc2ccnc1-2)C(C)(C)C[NH3+] ZINC001170058921 970107802 /nfs/dbraw/zinc/10/78/02/970107802.db2.gz IGBZLYDMIKJTDC-UHFFFAOYSA-N 1 3 218.304 1.736 20 0 BDADHO CCCC[C@@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001255329534 970112262 /nfs/dbraw/zinc/11/22/62/970112262.db2.gz SRKBLKXTQJLYCB-CQSZACIVSA-N 1 3 243.439 1.990 20 0 BDADHO CN(C)CCC(C)(C)[NH2+][C@H]1CCCN(C)C1 ZINC001255472044 970201014 /nfs/dbraw/zinc/20/10/14/970201014.db2.gz MFTDMLFFTWETSX-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO CC[C@@H](CO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255939174 970563375 /nfs/dbraw/zinc/56/33/75/970563375.db2.gz CTCUPHYNNVVIJQ-RYUDHWBXSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@@H](CO)N[C@@H](C)CC[NH+](CC)CC ZINC001255939174 970563383 /nfs/dbraw/zinc/56/33/83/970563383.db2.gz CTCUPHYNNVVIJQ-RYUDHWBXSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001255961166 970603970 /nfs/dbraw/zinc/60/39/70/970603970.db2.gz VIDJTWKTPBHRKS-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001255961166 970603974 /nfs/dbraw/zinc/60/39/74/970603974.db2.gz VIDJTWKTPBHRKS-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC001255961166 970603979 /nfs/dbraw/zinc/60/39/79/970603979.db2.gz VIDJTWKTPBHRKS-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]C[C@H](C)CN)c1 ZINC001256152958 970675082 /nfs/dbraw/zinc/67/50/82/970675082.db2.gz FUSVWAGCZLXDBL-NEPJUHHUSA-N 1 3 236.359 1.811 20 0 BDADHO [NH3+]CC1(F)CC[NH+](Cc2ncccc2[O-])CC1 ZINC001222539315 972553230 /nfs/dbraw/zinc/55/32/30/972553230.db2.gz WPRLPFNCXHNKJC-UHFFFAOYSA-N 1 3 239.294 1.050 20 0 BDADHO CC1(C)C[C@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246547437 972671951 /nfs/dbraw/zinc/67/19/51/972671951.db2.gz PQABBCIVICXZBW-NWDGAFQWSA-N 1 3 226.364 1.757 20 0 BDADHO CC1(C)C[C@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246547437 972671957 /nfs/dbraw/zinc/67/19/57/972671957.db2.gz PQABBCIVICXZBW-NWDGAFQWSA-N 1 3 226.364 1.757 20 0 BDADHO C[NH2+][C@H](C)CCN[C@H](COC)CC(C)C ZINC001327838378 972754085 /nfs/dbraw/zinc/75/40/85/972754085.db2.gz GHWYAIGLIIKIPT-NEPJUHHUSA-N 1 3 216.369 1.635 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(CF)C2)CCN1 ZINC001246573974 972864622 /nfs/dbraw/zinc/86/46/22/972864622.db2.gz HEACTTYDCUMSDT-UTUOFQBUSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(CF)C2)CCN1 ZINC001246573974 972864627 /nfs/dbraw/zinc/86/46/27/972864627.db2.gz HEACTTYDCUMSDT-UTUOFQBUSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246588364 972986685 /nfs/dbraw/zinc/98/66/85/972986685.db2.gz YZYVOICBZIUTPA-OFTGVCEQSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246588364 972986701 /nfs/dbraw/zinc/98/67/01/972986701.db2.gz YZYVOICBZIUTPA-OFTGVCEQSA-N 1 3 226.364 1.063 20 0 BDADHO CC[C@@H]1CC(N2C[C@@H](N)[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246821615 973124323 /nfs/dbraw/zinc/12/43/23/973124323.db2.gz SYSWMJVBUCOKQH-VCDKRKBESA-N 1 3 243.370 1.277 20 0 BDADHO [NH3+][C@@]12C[C@@H]1CN(C1CCC(F)(F)CC1)C2 ZINC001246871538 973244867 /nfs/dbraw/zinc/24/48/67/973244867.db2.gz QKYQHSYQQPEIEA-PSASIEDQSA-N 1 3 216.275 1.597 20 0 BDADHO C[C@H](CO)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171620653 974115487 /nfs/dbraw/zinc/11/54/87/974115487.db2.gz BWLYDWVZALFNCV-NSHDSACASA-N 1 3 242.407 1.856 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]2N)CN1Cc1ccccc1 ZINC001171732026 974143755 /nfs/dbraw/zinc/14/37/55/974143755.db2.gz GJOLVGBEXUVFTN-SPWCGHHHSA-N 1 3 245.370 1.339 20 0 BDADHO CCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099316 974340558 /nfs/dbraw/zinc/34/05/58/974340558.db2.gz HEAKSWQCPBISLZ-XYYAHUGASA-N 1 3 226.364 1.628 20 0 BDADHO CCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099316 974340562 /nfs/dbraw/zinc/34/05/62/974340562.db2.gz HEAKSWQCPBISLZ-XYYAHUGASA-N 1 3 226.364 1.628 20 0 BDADHO CN1CC2(C1)CN([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172132897 974355803 /nfs/dbraw/zinc/35/58/03/974355803.db2.gz PWKQNCIMJUODRV-WDNDVIMCSA-N 1 3 249.402 1.249 20 0 BDADHO CN1CC2(C1)CN([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172132897 974355813 /nfs/dbraw/zinc/35/58/13/974355813.db2.gz PWKQNCIMJUODRV-WDNDVIMCSA-N 1 3 249.402 1.249 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCF)C2 ZINC001172102642 974359341 /nfs/dbraw/zinc/35/93/41/974359341.db2.gz NZXHJVGFNZDOBN-JGPRNRPPSA-N 1 3 200.301 1.561 20 0 BDADHO CN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172114696 974379257 /nfs/dbraw/zinc/37/92/57/974379257.db2.gz SIIUCMHNGYLTJW-BTTYYORXSA-N 1 3 237.391 1.249 20 0 BDADHO CCC[N@H+](CCCN)[C@@H](C)CCOCC ZINC001172408034 974665844 /nfs/dbraw/zinc/66/58/44/974665844.db2.gz DCDVTGCEJLSJKQ-LBPRGKRZSA-N 1 3 216.369 1.862 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H](C)CCOCC ZINC001172408034 974665848 /nfs/dbraw/zinc/66/58/48/974665848.db2.gz DCDVTGCEJLSJKQ-LBPRGKRZSA-N 1 3 216.369 1.862 20 0 BDADHO CC(C)OCC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001172442128 974801515 /nfs/dbraw/zinc/80/15/15/974801515.db2.gz IEKBBJWUFXIFKQ-KPPDAEKUSA-N 1 3 200.326 1.269 20 0 BDADHO CC(C)OCC[C@@H](C)NC1CC([NH3+])C1 ZINC001172442128 974801520 /nfs/dbraw/zinc/80/15/20/974801520.db2.gz IEKBBJWUFXIFKQ-KPPDAEKUSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@]1(CN2CC[C@H]3OCCC[C@@H]3C2)CC[NH2+]C1 ZINC001332338370 975062615 /nfs/dbraw/zinc/06/26/15/975062615.db2.gz CURGSCINSVJWIA-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC001332402825 975094161 /nfs/dbraw/zinc/09/41/61/975094161.db2.gz SPRGRCNCXHKQBE-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO CCSC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC001173293785 975174711 /nfs/dbraw/zinc/17/47/11/975174711.db2.gz GPAKGCJPSOYOBV-JTQLQIEISA-N 1 3 216.394 1.941 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CN1CCN(C(C)(C)C)CC1 ZINC001332594700 975223717 /nfs/dbraw/zinc/22/37/17/975223717.db2.gz FWEJZKJCKVBVRR-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO C[N@H+]1CCC[C@@H]1CN1CCN(C(C)(C)C)CC1 ZINC001332594700 975223724 /nfs/dbraw/zinc/22/37/24/975223724.db2.gz FWEJZKJCKVBVRR-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CCSC[C@@H](C)N1CCN(CCC[NH3+])CC1 ZINC001173291683 975264065 /nfs/dbraw/zinc/26/40/65/975264065.db2.gz PPEABBCBLAAOMJ-GFCCVEGCSA-N 1 3 245.436 1.094 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335428039 977049375 /nfs/dbraw/zinc/04/93/75/977049375.db2.gz ATQFONHLUXGEKY-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)C2CC2)C1(C)C ZINC001335469589 977077983 /nfs/dbraw/zinc/07/79/83/977077983.db2.gz NSQQIWKXBVMAFR-SDDRHHMPSA-N 1 3 226.364 1.076 20 0 BDADHO COC(C)(C)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001277584862 977791095 /nfs/dbraw/zinc/79/10/95/977791095.db2.gz TVUAWLZMULRNLH-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ccncc1 ZINC001277693014 978207299 /nfs/dbraw/zinc/20/72/99/978207299.db2.gz BKYYXIQLHFVUEY-RYUDHWBXSA-N 1 3 203.289 1.364 20 0 BDADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccncc1 ZINC001277693014 978207305 /nfs/dbraw/zinc/20/73/05/978207305.db2.gz BKYYXIQLHFVUEY-RYUDHWBXSA-N 1 3 203.289 1.364 20 0 BDADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC001338491140 978695237 /nfs/dbraw/zinc/69/52/37/978695237.db2.gz FHTXRBVIIAXTDS-AAEUAGOBSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC001338491140 978695242 /nfs/dbraw/zinc/69/52/42/978695242.db2.gz FHTXRBVIIAXTDS-AAEUAGOBSA-N 1 3 240.391 1.467 20 0 BDADHO CCN1CCC([NH2+]Cc2ncccc2C)CC1 ZINC000071339152 979030619 /nfs/dbraw/zinc/03/06/19/979030619.db2.gz BOMHQXFOPUHUFD-UHFFFAOYSA-N 1 3 233.359 1.964 20 0 BDADHO OCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235400443 979035770 /nfs/dbraw/zinc/03/57/70/979035770.db2.gz CZEYOMUXEVVLRL-QWHCGFSZSA-N 1 3 244.354 1.173 20 0 BDADHO OCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235400443 979035773 /nfs/dbraw/zinc/03/57/73/979035773.db2.gz CZEYOMUXEVVLRL-QWHCGFSZSA-N 1 3 244.354 1.173 20 0 BDADHO OCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400443 979035778 /nfs/dbraw/zinc/03/57/78/979035778.db2.gz CZEYOMUXEVVLRL-QWHCGFSZSA-N 1 3 244.354 1.173 20 0 BDADHO CN(CCC[NH3+])C(=O)[C@H](N)C1CCCCCC1 ZINC001340621990 979047819 /nfs/dbraw/zinc/04/78/19/979047819.db2.gz MYBGGFUZPHYJIL-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO CC[C@H]([NH3+])CN1CCN[C@H](c2ccccc2)C1 ZINC001235857969 979171742 /nfs/dbraw/zinc/17/17/42/979171742.db2.gz BZGSMUOYLFFKNJ-KBPBESRZSA-N 1 3 233.359 1.370 20 0 BDADHO C[NH2+]CCCN1CCN[C@@H](c2ccccc2)C1 ZINC001235860754 979173744 /nfs/dbraw/zinc/17/37/44/979173744.db2.gz WSCJERDKCNKTAS-CQSZACIVSA-N 1 3 233.359 1.242 20 0 BDADHO CN(CCCC[NH3+])Cc1nc2ccccc2o1 ZINC001235961598 979232678 /nfs/dbraw/zinc/23/26/78/979232678.db2.gz FJAQUWNWMCJLHO-UHFFFAOYSA-N 1 3 233.315 1.999 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC001235980496 979238134 /nfs/dbraw/zinc/23/81/34/979238134.db2.gz PRVNLFAJTBQILH-UTUOFQBUSA-N 1 3 208.305 1.102 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC001235980496 979238146 /nfs/dbraw/zinc/23/81/46/979238146.db2.gz PRVNLFAJTBQILH-UTUOFQBUSA-N 1 3 208.305 1.102 20 0 BDADHO [NH3+][C@]12CC[C@H]1CN(CC1Cc3ccccc3C1)C2 ZINC001235976995 979246229 /nfs/dbraw/zinc/24/62/29/979246229.db2.gz DTBYRWSXZQNMCH-HOTGVXAUSA-N 1 3 242.366 1.825 20 0 BDADHO C[C@H](N)C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236336574 979535220 /nfs/dbraw/zinc/53/52/20/979535220.db2.gz SCZBKGSYBYWNPJ-NSHDSACASA-N 1 3 233.359 1.795 20 0 BDADHO CC1(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237384318 979883598 /nfs/dbraw/zinc/88/35/98/979883598.db2.gz VRNGSRHYNJOGMC-RYUDHWBXSA-N 1 3 224.348 1.097 20 0 BDADHO CN(C)Cc1ccc(C=C2CC[NH2+]CC2)nc1 ZINC001240873516 981916807 /nfs/dbraw/zinc/91/68/07/981916807.db2.gz BPEJVIWLTXZUEK-UHFFFAOYSA-N 1 3 231.343 1.910 20 0 BDADHO C(c1ccc2c(n1)OCCNC2)=C1CC[NH2+]CC1 ZINC001240874013 981917212 /nfs/dbraw/zinc/91/72/12/981917212.db2.gz MQJPHJBAEUMGLZ-UHFFFAOYSA-N 1 3 245.326 1.330 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC001350954668 982135041 /nfs/dbraw/zinc/13/50/41/982135041.db2.gz DUOOWTDSXHDDNR-RNJOBUHISA-N 1 3 238.375 1.389 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001199842936 983027960 /nfs/dbraw/zinc/02/79/60/983027960.db2.gz JNRWPRJZKMAPQZ-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@H]1COC[C@H](C)C1[NH2+]CCCN1CCCC1 ZINC001354204315 983191362 /nfs/dbraw/zinc/19/13/62/983191362.db2.gz JAFUUMHSIFDSSI-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO CCCCN1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001201711543 983420300 /nfs/dbraw/zinc/42/03/00/983420300.db2.gz VPIVIXVDJOGFOF-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CCCCN1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001201711543 983420307 /nfs/dbraw/zinc/42/03/07/983420307.db2.gz VPIVIXVDJOGFOF-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CC1=C[C@H](C)[C@H](CN2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205947181 983657709 /nfs/dbraw/zinc/65/77/09/983657709.db2.gz YHSBPCTUSIXWRV-IGQOVBAYSA-N 1 3 238.375 1.373 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC001357475437 983729858 /nfs/dbraw/zinc/72/98/58/983729858.db2.gz XASRGYKTGZFBEM-MNOVXSKESA-N 1 3 243.395 1.384 20 0 BDADHO NCc1ccc(-c2ccc3c(c2)C[NH2+]C3)cn1 ZINC001242676392 984046057 /nfs/dbraw/zinc/04/60/57/984046057.db2.gz QRIAAJSMLMDYKQ-UHFFFAOYSA-N 1 3 225.295 1.811 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC001578160933 984206070 /nfs/dbraw/zinc/20/60/70/984206070.db2.gz FNANBYCACSMNCR-LMLFDSFASA-N 1 3 212.337 1.269 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC001578160947 984207001 /nfs/dbraw/zinc/20/70/01/984207001.db2.gz FNANBYCACSMNCR-YTWAJWBKSA-N 1 3 212.337 1.269 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](C)C(C)(C)C1 ZINC001578622162 984214443 /nfs/dbraw/zinc/21/44/43/984214443.db2.gz PMBLOBKIJBYWDS-DGCLKSJQSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622162 984214434 /nfs/dbraw/zinc/21/44/34/984214434.db2.gz PMBLOBKIJBYWDS-DGCLKSJQSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622162 984214439 /nfs/dbraw/zinc/21/44/39/984214439.db2.gz PMBLOBKIJBYWDS-DGCLKSJQSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620857 984215229 /nfs/dbraw/zinc/21/52/29/984215229.db2.gz ADPWIDQWXMLFLZ-WCQYABFASA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001578620857 984215233 /nfs/dbraw/zinc/21/52/33/984215233.db2.gz ADPWIDQWXMLFLZ-WCQYABFASA-N 1 3 228.380 1.325 20 0 BDADHO [NH3+][C@@H]1CC12CC(N[C@H](CCO)c1ccco1)C2 ZINC001580163850 984410263 /nfs/dbraw/zinc/41/02/63/984410263.db2.gz DXRPZUHLVNTWJZ-JKFXUVRWSA-N 1 3 236.315 1.173 20 0 BDADHO NCC1(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC001580243392 984473534 /nfs/dbraw/zinc/47/35/34/984473534.db2.gz FHDZRXUIGGBJMU-CHWSQXEVSA-N 1 3 238.375 1.112 20 0 BDADHO O[C@H](CN1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001580885619 984617715 /nfs/dbraw/zinc/61/77/15/984617715.db2.gz HREQYDVBBNWBFH-QLFBSQMISA-N 1 3 246.354 1.261 20 0 BDADHO c1cncc([C@H]2C[C@H](NCC3C[NH2+]C3)CCO2)c1 ZINC001580897642 984623181 /nfs/dbraw/zinc/62/31/81/984623181.db2.gz UUJSVMQUFQKCPB-ZIAGYGMSSA-N 1 3 247.342 1.111 20 0 BDADHO CCOC(=O)C1(C[NH2+]C[C@H](CN)C(C)C)CC1 ZINC001577927845 984814607 /nfs/dbraw/zinc/81/46/07/984814607.db2.gz GHHAONVPWBVZPV-NSHDSACASA-N 1 3 242.363 1.150 20 0 BDADHO CCOC(=O)C[C@](C)(NC[C@@H](C)[NH3+])C(C)C ZINC001577939318 984820620 /nfs/dbraw/zinc/82/06/20/984820620.db2.gz CVMOUDUGIYRXSP-PWSUYJOCSA-N 1 3 230.352 1.291 20 0 BDADHO CCOC(=O)C1(C)CC(N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC001577925242 984821683 /nfs/dbraw/zinc/82/16/83/984821683.db2.gz GOUDJGVJYAYFRR-IXYVEGFRSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(C)(C)CNC[C@@H]([NH3+])CC(F)(F)F ZINC001578071307 984840611 /nfs/dbraw/zinc/84/06/11/984840611.db2.gz DWDLEQXMUUQDNF-QMMMGPOBSA-N 1 3 242.285 1.671 20 0 BDADHO NCc1ccn([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC001256899035 984844966 /nfs/dbraw/zinc/84/49/66/984844966.db2.gz QTDJEXMJHNEMAU-CQSZACIVSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1ccn([C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC001256899035 984844970 /nfs/dbraw/zinc/84/49/70/984844970.db2.gz QTDJEXMJHNEMAU-CQSZACIVSA-N 1 3 248.374 1.921 20 0 BDADHO CCO[C@H]1CCC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001578098300 984848660 /nfs/dbraw/zinc/84/86/60/984848660.db2.gz WFGUPGIHSDILRJ-AVGNSLFASA-N 1 3 226.364 1.676 20 0 BDADHO CCO[C@H]1CCC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001578098299 984849309 /nfs/dbraw/zinc/84/93/09/984849309.db2.gz WFGUPGIHSDILRJ-AGIUHOORSA-N 1 3 226.364 1.676 20 0 BDADHO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](N)C2)C1 ZINC001578097680 984849949 /nfs/dbraw/zinc/84/99/49/984849949.db2.gz HHISLBIBJALRRL-FIQHERPVSA-N 1 3 212.337 1.413 20 0 BDADHO CO[C@H]1CCN(C2CC[NH+](C(C)C)CC2)C1 ZINC001257214607 984853046 /nfs/dbraw/zinc/85/30/46/984853046.db2.gz HRFHIOMSOSMXAU-ZDUSSCGKSA-N 1 3 226.364 1.580 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](N)CC)[C@]12CCCO2 ZINC001578148870 984854617 /nfs/dbraw/zinc/85/46/17/984854617.db2.gz MJPZOSONYWKOMF-FDYHWXHSSA-N 1 3 242.363 1.040 20 0 BDADHO CCO[C@@H]1CCC[C@H]1NC[C@H]1CC[NH2+]C1 ZINC001578151408 984857820 /nfs/dbraw/zinc/85/78/20/984857820.db2.gz IIBKHWBLYNWZPQ-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1NC[C@H]([NH3+])CCOC ZINC001578149119 984859212 /nfs/dbraw/zinc/85/92/12/984859212.db2.gz VONPDFDENFAKBO-JHJVBQTASA-N 1 3 244.379 1.288 20 0 BDADHO CCc1cccc(C[NH2+][C@@H]2CCNC[C@H]2O)c1 ZINC001578267012 984916867 /nfs/dbraw/zinc/91/68/67/984916867.db2.gz YZAHQGHKRQPEAQ-ZIAGYGMSSA-N 1 3 234.343 1.061 20 0 BDADHO CN(Cc1c(C[NH3+])cnn1C)C[C@@H]1CC1(C)C ZINC001578486525 985117162 /nfs/dbraw/zinc/11/71/62/985117162.db2.gz OPYGJXIMMYAXQP-NSHDSACASA-N 1 3 236.363 1.357 20 0 BDADHO COC(CC[NH+]1CCC(N(C)C)CC1)OC ZINC000686607894 985146706 /nfs/dbraw/zinc/14/67/06/985146706.db2.gz YVPSORPJOANLKW-UHFFFAOYSA-N 1 3 230.352 1.021 20 0 BDADHO COC(CCN(C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000686617464 985175365 /nfs/dbraw/zinc/17/53/65/985175365.db2.gz PILOZHAFCOUWHB-GFCCVEGCSA-N 1 3 244.379 1.269 20 0 BDADHO COC(CCN(C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000686617464 985175373 /nfs/dbraw/zinc/17/53/73/985175373.db2.gz PILOZHAFCOUWHB-GFCCVEGCSA-N 1 3 244.379 1.269 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622696 985237372 /nfs/dbraw/zinc/23/73/72/985237372.db2.gz YNKPREJXXXLMTD-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622696 985237382 /nfs/dbraw/zinc/23/73/82/985237382.db2.gz YNKPREJXXXLMTD-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@H](O)C[N@H+](C)CCC1CCCCCC1 ZINC001578652994 985265571 /nfs/dbraw/zinc/26/55/71/985265571.db2.gz SAEMDUTXOBKXOB-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CNC[C@@H](O)C[N@@H+](C)CCC1CCCCCC1 ZINC001578652994 985265581 /nfs/dbraw/zinc/26/55/81/985265581.db2.gz SAEMDUTXOBKXOB-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC001258105962 985418192 /nfs/dbraw/zinc/41/81/92/985418192.db2.gz VFOBLPUGDMYOLU-VXGBXAGGSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC001258105962 985418206 /nfs/dbraw/zinc/41/82/06/985418206.db2.gz VFOBLPUGDMYOLU-VXGBXAGGSA-N 1 3 242.363 1.531 20 0 BDADHO CO[C@H](CC(C)C)CN1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578900699 985492780 /nfs/dbraw/zinc/49/27/80/985492780.db2.gz KTPHNMKYTQTFIW-MCIONIFRSA-N 1 3 240.391 1.589 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000688028882 985504974 /nfs/dbraw/zinc/50/49/74/985504974.db2.gz IMWBYNBRCGOEPN-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO CO[C@@H](CNC(C)(C)C[NH3+])CC(C)C ZINC001578913098 985514245 /nfs/dbraw/zinc/51/42/45/985514245.db2.gz RNNIAGDXCKFNSH-SNVBAGLBSA-N 1 3 202.342 1.374 20 0 BDADHO CO[C@H](CN[C@H]1C[C@@H]([NH3+])C1)CC(C)C ZINC001578912342 985515594 /nfs/dbraw/zinc/51/55/94/985515594.db2.gz CSZXXSSZVLBCCJ-AXFHLTTASA-N 1 3 200.326 1.127 20 0 BDADHO CO[C@H](CNC(C)(C)C[NH3+])CC(C)C ZINC001578913097 985516215 /nfs/dbraw/zinc/51/62/15/985516215.db2.gz RNNIAGDXCKFNSH-JTQLQIEISA-N 1 3 202.342 1.374 20 0 BDADHO C[C@H]1COC[C@H]1NCCC[NH+]1CCCCC1 ZINC000688047458 985526607 /nfs/dbraw/zinc/52/66/07/985526607.db2.gz ZWTZTLIKUWCPOE-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO COC1(CN2CC[C@@H]3CC[C@]32C[NH3+])CCC1 ZINC001578926742 985528775 /nfs/dbraw/zinc/52/87/75/985528775.db2.gz MTWYQJCAQXAXQU-AAEUAGOBSA-N 1 3 224.348 1.369 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578936457 985544135 /nfs/dbraw/zinc/54/41/35/985544135.db2.gz DIMCNVRSPQIPFT-NNYUYHANSA-N 1 3 212.337 1.413 20 0 BDADHO Cc1cc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)no1 ZINC001276307236 985757108 /nfs/dbraw/zinc/75/71/08/985757108.db2.gz INGSALMLZKSCBK-BETUJISGSA-N 1 3 249.358 1.757 20 0 BDADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)no1 ZINC001276307236 985757127 /nfs/dbraw/zinc/75/71/27/985757127.db2.gz INGSALMLZKSCBK-BETUJISGSA-N 1 3 249.358 1.757 20 0 BDADHO COc1cc(C[C@H](C)NC(C)(C)C[NH3+])ccn1 ZINC001579146709 985812452 /nfs/dbraw/zinc/81/24/52/985812452.db2.gz QRZWFEOJFMZJIS-JTQLQIEISA-N 1 3 237.347 1.348 20 0 BDADHO CSC1(C[NH2+][C@H]2C[C@H](N)C2)CCC1 ZINC001579365740 985860362 /nfs/dbraw/zinc/86/03/62/985860362.db2.gz UCNVWIHOFKBCGA-KYZUINATSA-N 1 3 200.351 1.351 20 0 BDADHO CSC1(CN[C@H]2C[C@H]([NH3+])C2)CCC1 ZINC001579365740 985860365 /nfs/dbraw/zinc/86/03/65/985860365.db2.gz UCNVWIHOFKBCGA-KYZUINATSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@H]1CCSC1)C2 ZINC001579473540 985948647 /nfs/dbraw/zinc/94/86/47/985948647.db2.gz DGSIIWZPHFQSJC-UTUOFQBUSA-N 1 3 226.389 1.281 20 0 BDADHO CCC[NH+]1CCC(N2CCC[C@@H](OC)C2)CC1 ZINC001258771748 986156246 /nfs/dbraw/zinc/15/62/46/986156246.db2.gz SDSKHRQXKQRSFY-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO Cc1ccc(CCN[C@H]2C[C@H]([NH3+])C2)cc1C ZINC001579688437 986180656 /nfs/dbraw/zinc/18/06/56/986180656.db2.gz XNLVVTSVYFRWGJ-HDJSIYSDSA-N 1 3 218.344 1.925 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](N)C2)cc1C ZINC001579688437 986180665 /nfs/dbraw/zinc/18/06/65/986180665.db2.gz XNLVVTSVYFRWGJ-HDJSIYSDSA-N 1 3 218.344 1.925 20 0 BDADHO Cc1ccc(C[C@@H](C)NC[C@]2(O)CC[NH2+]C2)cc1 ZINC001579684735 986181896 /nfs/dbraw/zinc/18/18/96/986181896.db2.gz QVSKFKBDVYEDMW-HIFRSBDPSA-N 1 3 248.370 1.240 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001461829116 986189148 /nfs/dbraw/zinc/18/91/48/986189148.db2.gz KTWUGHDCQMHURJ-FRRDWIJNSA-N 1 3 240.391 1.589 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CC2CC[NH2+]CC2)n1 ZINC001579723264 986196201 /nfs/dbraw/zinc/19/62/01/986196201.db2.gz HBGLQGIRLRLZRI-UHFFFAOYSA-N 1 3 235.331 1.185 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)c1C ZINC001461832065 986198764 /nfs/dbraw/zinc/19/87/64/986198764.db2.gz VITPJPJLMMFDCT-FRRDWIJNSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1C ZINC001461832065 986198781 /nfs/dbraw/zinc/19/87/81/986198781.db2.gz VITPJPJLMMFDCT-FRRDWIJNSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1ncsc1CCCN1CC[C@@H](C[NH3+])C1 ZINC001579888159 986303908 /nfs/dbraw/zinc/30/39/08/986303908.db2.gz QSWLWMVHAJPOQC-NSHDSACASA-N 1 3 239.388 1.665 20 0 BDADHO Cn1nc(CNC2CC3(C[C@H]3[NH3+])C2)cc1C1CC1 ZINC001579994587 986395170 /nfs/dbraw/zinc/39/51/70/986395170.db2.gz ZWGNFFHPBSHLKZ-HRDQMINSSA-N 1 3 246.358 1.267 20 0 BDADHO NC[C@@]12C[N@H+](CCc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580256691 986712321 /nfs/dbraw/zinc/71/23/21/986712321.db2.gz WYMBXYUZQYLQHQ-KGLIPLIRSA-N 1 3 248.374 1.403 20 0 BDADHO NC[C@@]12C[N@@H+](CCc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580256691 986712332 /nfs/dbraw/zinc/71/23/32/986712332.db2.gz WYMBXYUZQYLQHQ-KGLIPLIRSA-N 1 3 248.374 1.403 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CCC[C@H]1CCO1 ZINC001580254678 986712638 /nfs/dbraw/zinc/71/26/38/986712638.db2.gz YWPOONUTLGVJSO-RWMBFGLXSA-N 1 3 224.348 1.369 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN[C@@H](c2ncccn2)C2CC2)C1 ZINC001580389917 986816729 /nfs/dbraw/zinc/81/67/29/986816729.db2.gz XDVDXIHTNYGMMJ-CYZMBNFOSA-N 1 3 246.358 1.645 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C2CCC3(CCCO3)CC2)C1 ZINC001580430560 986847612 /nfs/dbraw/zinc/84/76/12/986847612.db2.gz RJOSZISKOSYCCR-RUXNMCCTSA-N 1 3 224.348 1.558 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC1(CO)CCC1 ZINC001255942388 987078361 /nfs/dbraw/zinc/07/83/61/987078361.db2.gz FQTXXJSOHTZUSY-ZDUSSCGKSA-N 1 3 242.407 1.859 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCC(C)(C)O ZINC001255945878 987082608 /nfs/dbraw/zinc/08/26/08/987082608.db2.gz OLKJODSMZUUQIA-LBPRGKRZSA-N 1 3 230.396 1.857 20 0 BDADHO CCC[C@H](O)CNC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245974803 987249680 /nfs/dbraw/zinc/24/96/80/987249680.db2.gz NXIPJEWJWLMZML-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO CCCC[C@H](O)CNC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001245995086 987280835 /nfs/dbraw/zinc/28/08/35/987280835.db2.gz SOZSAEOJKVBVDF-AVGNSLFASA-N 1 3 228.380 1.373 20 0 BDADHO COCCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693705057 987313056 /nfs/dbraw/zinc/31/30/56/987313056.db2.gz MUJOUHVIMIDARD-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000697039166 987346735 /nfs/dbraw/zinc/34/67/35/987346735.db2.gz DAYCUXMOWSNTJB-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CC1(C)C[C@@H]([NH2+]CC2(N)CCCC2)CO1 ZINC001246074055 987363242 /nfs/dbraw/zinc/36/32/42/987363242.db2.gz BQSJGTJYPOSTGV-SNVBAGLBSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](CC[NH2+]C[C@H]1CCCOC1)N(C)C ZINC000697890548 987366330 /nfs/dbraw/zinc/36/63/30/987366330.db2.gz OJPGWABSMXGORX-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCOCC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246077783 987367709 /nfs/dbraw/zinc/36/77/09/987367709.db2.gz KGBHXAFYZNABPD-SNVBAGLBSA-N 1 3 200.326 1.143 20 0 BDADHO CCOC(=O)CC[C@@H](C)NC1CC[NH2+]CC1 ZINC001246077737 987369266 /nfs/dbraw/zinc/36/92/66/987369266.db2.gz KAVWODJHYBFHOY-SNVBAGLBSA-N 1 3 228.336 1.060 20 0 BDADHO CCOC(=O)CC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246077737 987369276 /nfs/dbraw/zinc/36/92/76/987369276.db2.gz KAVWODJHYBFHOY-SNVBAGLBSA-N 1 3 228.336 1.060 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246089402 987395382 /nfs/dbraw/zinc/39/53/82/987395382.db2.gz CUGLZIUCMOGRMQ-SDDRHHMPSA-N 1 3 242.363 1.306 20 0 BDADHO CC[C@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089390 987395425 /nfs/dbraw/zinc/39/54/25/987395425.db2.gz PNNUVZNVPPVEHU-ZDEQEGDKSA-N 1 3 244.354 1.217 20 0 BDADHO CCOC(=O)CC(C)(C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246090787 987397262 /nfs/dbraw/zinc/39/72/62/987397262.db2.gz ZNLXQAMEMVBISM-WDEREUQCSA-N 1 3 242.363 1.448 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246095638 987404286 /nfs/dbraw/zinc/40/42/86/987404286.db2.gz LLINLWQTTKOSSB-HZSPNIEDSA-N 1 3 247.386 1.990 20 0 BDADHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001473379894 987408211 /nfs/dbraw/zinc/40/82/11/987408211.db2.gz NLQWWCTVDDKTRE-SRVKXCTJSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001473379894 987408214 /nfs/dbraw/zinc/40/82/14/987408214.db2.gz NLQWWCTVDDKTRE-SRVKXCTJSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H](O)[C@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC001473379894 987408218 /nfs/dbraw/zinc/40/82/18/987408218.db2.gz NLQWWCTVDDKTRE-SRVKXCTJSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105647 987433019 /nfs/dbraw/zinc/43/30/19/987433019.db2.gz NFZHABCQCFUHIY-NAWOPXAZSA-N 1 3 208.349 1.763 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1C[NH2+]CC[C@@H]1C ZINC001246117284 987460365 /nfs/dbraw/zinc/46/03/65/987460365.db2.gz YWSWLKPFDGGABV-SDDRHHMPSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1COC(C)(C)C1 ZINC001246118012 987462858 /nfs/dbraw/zinc/46/28/58/987462858.db2.gz DUBCJCGSPQBKCD-UTUOFQBUSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]1CC(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@H](C)C1 ZINC001246132448 987480579 /nfs/dbraw/zinc/48/05/79/987480579.db2.gz CXTLJQLLVBSWMO-OMRXRXQOSA-N 1 3 238.375 1.388 20 0 BDADHO CCOC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246191982 987578489 /nfs/dbraw/zinc/57/84/89/987578489.db2.gz CTIUHXMQCMSPSR-YIBTVLSRSA-N 1 3 240.347 1.201 20 0 BDADHO C[C@@H]1CC[C@@H](NC2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194219 987584176 /nfs/dbraw/zinc/58/41/76/987584176.db2.gz GRDJPUQWDMGSPO-DGCLKSJQSA-N 1 3 238.375 1.676 20 0 BDADHO COC(=O)CCCCCN[C@H]1CCC[NH2+]C1 ZINC001246198258 987590528 /nfs/dbraw/zinc/59/05/28/987590528.db2.gz DVJNQDMILUPCAJ-NSHDSACASA-N 1 3 228.336 1.061 20 0 BDADHO C[C@H]1CC[C@H](NC[C@H]2C[C@H](F)C2)C[NH2+]1 ZINC001246217927 987618341 /nfs/dbraw/zinc/61/83/41/987618341.db2.gz NLQOQHHKYHBQKL-NAKRPEOUSA-N 1 3 200.301 1.465 20 0 BDADHO CCCC[C@H](CO)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246212615 987611647 /nfs/dbraw/zinc/61/16/47/987611647.db2.gz VZBPKWIJDXLMLG-QJPTWQEYSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@H](CO)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246212615 987611654 /nfs/dbraw/zinc/61/16/54/987611654.db2.gz VZBPKWIJDXLMLG-QJPTWQEYSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CCN1 ZINC001246218101 987616110 /nfs/dbraw/zinc/61/61/10/987616110.db2.gz LHVKJBGWSDHBDT-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO CCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246226771 987621975 /nfs/dbraw/zinc/62/19/75/987621975.db2.gz BQQKHMSZMNBDMA-PSIUFMSWSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](O)CC2)CCN1 ZINC001246231236 987630133 /nfs/dbraw/zinc/63/01/33/987630133.db2.gz PBWNDLQJLXEMIG-NNYUYHANSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCF)CC2)CCN1 ZINC001246270547 987667629 /nfs/dbraw/zinc/66/76/29/987667629.db2.gz GJZFEHSGUYSPAG-YPMHNXCESA-N 1 3 243.370 1.150 20 0 BDADHO c1ccc2c(c1)CN[C@@H](CN[C@@H]1CCC[NH2+]C1)C2 ZINC001246277399 987673347 /nfs/dbraw/zinc/67/33/47/987673347.db2.gz IXJKOOAXLKVUJN-HUUCEWRRSA-N 1 3 245.370 1.043 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283011 987677933 /nfs/dbraw/zinc/67/79/33/987677933.db2.gz YDLHFUPTYDIEFY-KKOKHZNYSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC001246283011 987677935 /nfs/dbraw/zinc/67/79/35/987677935.db2.gz YDLHFUPTYDIEFY-KKOKHZNYSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246283013 987679413 /nfs/dbraw/zinc/67/94/13/987679413.db2.gz YDLHFUPTYDIEFY-USZNOCQGSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC001246283013 987679418 /nfs/dbraw/zinc/67/94/18/987679418.db2.gz YDLHFUPTYDIEFY-USZNOCQGSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC[C@H]2C)CCN1 ZINC001246304052 987702138 /nfs/dbraw/zinc/70/21/38/987702138.db2.gz GKTJIWQDNNDPPJ-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO CCCC[C@H](CC(C)C)[NH2+][C@@H]1CNC[C@H]1CO ZINC001246307986 987707306 /nfs/dbraw/zinc/70/73/06/987707306.db2.gz NRCGPYMAIVVUMP-BFHYXJOUSA-N 1 3 242.407 1.761 20 0 BDADHO CCCC[C@H](CC(C)C)[NH2+][C@H]1CNC[C@@H]1CO ZINC001246307990 987709816 /nfs/dbraw/zinc/70/98/16/987709816.db2.gz NRCGPYMAIVVUMP-MCIONIFRSA-N 1 3 242.407 1.761 20 0 BDADHO OCCC1CCC([NH2+]C2CCNCC2)CC1 ZINC001246337222 987744358 /nfs/dbraw/zinc/74/43/58/987744358.db2.gz SIVPXTNUQIACFC-UHFFFAOYSA-N 1 3 226.364 1.269 20 0 BDADHO OCCCCCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246338947 987748917 /nfs/dbraw/zinc/74/89/17/987748917.db2.gz DIJJXFPMJVUJQT-CYBMUJFWSA-N 1 3 228.380 1.661 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CC2(c3cnccn3)CC2)CN1 ZINC001246388945 987778749 /nfs/dbraw/zinc/77/87/49/987778749.db2.gz NWWGXYBOVBOKID-RYUDHWBXSA-N 1 3 246.358 1.238 20 0 BDADHO C[C@H]1CCC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246412366 987790892 /nfs/dbraw/zinc/79/08/92/987790892.db2.gz CCLYATWGFWPCKV-SRVKXCTJSA-N 1 3 241.379 1.138 20 0 BDADHO C(N[C@H]1CCC[NH2+]C1)C1(CC2CC2)CC1 ZINC001246433217 987799362 /nfs/dbraw/zinc/79/93/62/987799362.db2.gz QVIPPTUCEPLYKH-LBPRGKRZSA-N 1 3 208.349 1.908 20 0 BDADHO Fc1cccc2c1CC[C@@H]([NH2+][C@H]1CC13CNC3)C2 ZINC001246442188 987799942 /nfs/dbraw/zinc/79/99/42/987799942.db2.gz CHUIDAKVTGPRFA-RISCZKNCSA-N 1 3 246.329 1.635 20 0 BDADHO CCCOC1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246445835 987801978 /nfs/dbraw/zinc/80/19/78/987801978.db2.gz PYOGQCSVJIRPNK-WXRRBKDZSA-N 1 3 238.375 1.676 20 0 BDADHO CCCOC1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246445835 987801983 /nfs/dbraw/zinc/80/19/83/987801983.db2.gz PYOGQCSVJIRPNK-WXRRBKDZSA-N 1 3 238.375 1.676 20 0 BDADHO CSC(C)(C)C[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246444812 987803406 /nfs/dbraw/zinc/80/34/06/987803406.db2.gz LTWKWXONHNSMMZ-NXEZZACHSA-N 1 3 228.405 1.858 20 0 BDADHO CSC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246444812 987803411 /nfs/dbraw/zinc/80/34/11/987803411.db2.gz LTWKWXONHNSMMZ-NXEZZACHSA-N 1 3 228.405 1.858 20 0 BDADHO COC(=O)CCCC[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446793 987805410 /nfs/dbraw/zinc/80/54/10/987805410.db2.gz UCFOXRBAJSGMLY-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)CCCC[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446793 987805415 /nfs/dbraw/zinc/80/54/15/987805415.db2.gz UCFOXRBAJSGMLY-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CNC3)C[C@H]1C ZINC001246446708 987807156 /nfs/dbraw/zinc/80/71/56/987807156.db2.gz TUYFHIMKKZHERY-WISYIIOYSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]1CC[C@H](N[C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460851 987819646 /nfs/dbraw/zinc/81/96/46/987819646.db2.gz KFOHMPZZMRTUFA-CYDGBPFRSA-N 1 3 226.364 1.410 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C(C)C ZINC001246468527 987826526 /nfs/dbraw/zinc/82/65/26/987826526.db2.gz YOZMGIPTIBMQMM-QJPTWQEYSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@@H](N[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC001246468527 987826529 /nfs/dbraw/zinc/82/65/29/987826529.db2.gz YOZMGIPTIBMQMM-QJPTWQEYSA-N 1 3 214.353 1.388 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2COc3cnccc32)CN1 ZINC001246472009 987829388 /nfs/dbraw/zinc/82/93/88/987829388.db2.gz WNQOPRIZGSTFKJ-UTUOFQBUSA-N 1 3 247.342 1.288 20 0 BDADHO C[C@H](Cc1cccnc1)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246480047 987838526 /nfs/dbraw/zinc/83/85/26/987838526.db2.gz XQTPVRIIXLHAQQ-BNOWGMLFSA-N 1 3 233.359 1.872 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC001246500057 987852837 /nfs/dbraw/zinc/85/28/37/987852837.db2.gz NYDDPDBFCYJZRD-LOWDOPEQSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@]1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246526400 987878983 /nfs/dbraw/zinc/87/89/83/987878983.db2.gz BLGNPDQRYCWQNX-FGNRJIRKSA-N 1 3 210.321 1.120 20 0 BDADHO CC[C@@H]1C[C@H](N2C[C@@H](F)[C@@H](N)C2)C[C@H](CC)[NH2+]1 ZINC001246527249 987881605 /nfs/dbraw/zinc/88/16/05/987881605.db2.gz SYSWMJVBUCOKQH-SJHCENCUSA-N 1 3 243.370 1.277 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246531359 987887210 /nfs/dbraw/zinc/88/72/10/987887210.db2.gz PWMOYYZMTSBCRJ-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO CCCC[C@H]1C[C@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246533761 987890686 /nfs/dbraw/zinc/89/06/86/987890686.db2.gz NZQQLHGNIDZUOT-RNJOBUHISA-N 1 3 243.370 1.278 20 0 BDADHO CC[C@@H]1C[C@@H](N2C[C@H](N)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246534759 987893255 /nfs/dbraw/zinc/89/32/55/987893255.db2.gz SYSWMJVBUCOKQH-PPCPHDFISA-N 1 3 243.370 1.277 20 0 BDADHO N[C@@H]1CCC[N@@H+](C2CCC3(COC3)CC2)CC1 ZINC001246546913 987925120 /nfs/dbraw/zinc/92/51/20/987925120.db2.gz NXDYJPFJIUYIIR-GFCCVEGCSA-N 1 3 238.375 1.759 20 0 BDADHO N[C@@H]1CCC[N@H+](C2CCC3(COC3)CC2)CC1 ZINC001246546913 987925133 /nfs/dbraw/zinc/92/51/33/987925133.db2.gz NXDYJPFJIUYIIR-GFCCVEGCSA-N 1 3 238.375 1.759 20 0 BDADHO COC[C@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246547752 987928929 /nfs/dbraw/zinc/92/89/29/987928929.db2.gz NHWGIJJLNODHPZ-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246547752 987928936 /nfs/dbraw/zinc/92/89/36/987928936.db2.gz NHWGIJJLNODHPZ-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C1CCC2(COC2)CC1 ZINC001246549294 987936653 /nfs/dbraw/zinc/93/66/53/987936653.db2.gz JJSZNCNFJXOSAF-ZYHUDNBSSA-N 1 3 224.348 1.367 20 0 BDADHO C[C@@H]1CC[N@@H+](C2CCNCC2)CC[C@]1(C)O ZINC001246551186 987942883 /nfs/dbraw/zinc/94/28/83/987942883.db2.gz PPPVFLIZFUURMA-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CC[N@H+](C2CCNCC2)CC[C@]1(C)O ZINC001246551186 987942897 /nfs/dbraw/zinc/94/28/97/987942897.db2.gz PPPVFLIZFUURMA-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1CC[N@@H+](C2CCNCC2)CC[C@]1(C)O ZINC001246551183 987945002 /nfs/dbraw/zinc/94/50/02/987945002.db2.gz PPPVFLIZFUURMA-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1CC[N@H+](C2CCNCC2)CC[C@]1(C)O ZINC001246551183 987945011 /nfs/dbraw/zinc/94/50/11/987945011.db2.gz PPPVFLIZFUURMA-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@H](O)CC2)CCN1 ZINC001246551905 987954296 /nfs/dbraw/zinc/95/42/96/987954296.db2.gz NVVWNFMKJMAQBY-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@H](O)CC2)CCN1 ZINC001246551905 987954300 /nfs/dbraw/zinc/95/43/00/987954300.db2.gz NVVWNFMKJMAQBY-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001246558402 987978754 /nfs/dbraw/zinc/97/87/54/987978754.db2.gz QBJCNHZWIHJBOG-MCIONIFRSA-N 1 3 239.407 1.530 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001246558402 987978758 /nfs/dbraw/zinc/97/87/58/987978758.db2.gz QBJCNHZWIHJBOG-MCIONIFRSA-N 1 3 239.407 1.530 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@@H](C)[NH2+]C)C12CCC2 ZINC001118121215 988018787 /nfs/dbraw/zinc/01/87/87/988018787.db2.gz CBNSEXAHTMQRII-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1C[C@@H](C)[C@H](N)C1)C2 ZINC001246567105 988026538 /nfs/dbraw/zinc/02/65/38/988026538.db2.gz KTDMBRWMHOQNED-RIEGTJTDSA-N 1 3 246.354 1.441 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H](C)[C@H](N)C1)C2 ZINC001246567105 988026553 /nfs/dbraw/zinc/02/65/53/988026553.db2.gz KTDMBRWMHOQNED-RIEGTJTDSA-N 1 3 246.354 1.441 20 0 BDADHO CC(C)CCC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573689 988073608 /nfs/dbraw/zinc/07/36/08/988073608.db2.gz ZBNYGPBGXZQUPH-YNEHKIRRSA-N 1 3 228.380 1.595 20 0 BDADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573689 988073628 /nfs/dbraw/zinc/07/36/28/988073628.db2.gz ZBNYGPBGXZQUPH-YNEHKIRRSA-N 1 3 228.380 1.595 20 0 BDADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573689 988073641 /nfs/dbraw/zinc/07/36/41/988073641.db2.gz ZBNYGPBGXZQUPH-YNEHKIRRSA-N 1 3 228.380 1.595 20 0 BDADHO CCN1CCC([N@@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001246578736 988100180 /nfs/dbraw/zinc/10/01/80/988100180.db2.gz BUYVQBCQBNHQGS-QWHCGFSZSA-N 1 3 243.370 1.232 20 0 BDADHO CCN1CCC([N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001246578736 988100198 /nfs/dbraw/zinc/10/01/98/988100198.db2.gz BUYVQBCQBNHQGS-QWHCGFSZSA-N 1 3 243.370 1.232 20 0 BDADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580073 988100437 /nfs/dbraw/zinc/10/04/37/988100437.db2.gz KPRXBIDGIPROGO-RFGFWPKPSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580073 988100444 /nfs/dbraw/zinc/10/04/44/988100444.db2.gz KPRXBIDGIPROGO-RFGFWPKPSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583657 988121703 /nfs/dbraw/zinc/12/17/03/988121703.db2.gz KPRXBIDGIPROGO-RFQIPJPRSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583657 988121713 /nfs/dbraw/zinc/12/17/13/988121713.db2.gz KPRXBIDGIPROGO-RFQIPJPRSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246636775 988331843 /nfs/dbraw/zinc/33/18/43/988331843.db2.gz WXRZBILFMHUNHE-FPYNETTCSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@@H]1CC[C@@H](N2C[C@H](C)N(C)C[C@H]2C)C[NH2+]1 ZINC001246688235 988435488 /nfs/dbraw/zinc/43/54/88/988435488.db2.gz DNRCMPARTOHLRM-YVECIDJPSA-N 1 3 225.380 1.151 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246687612 988439336 /nfs/dbraw/zinc/43/93/36/988439336.db2.gz AWJJZOAAYKLIJU-WUHRBBMRSA-N 1 3 225.380 1.151 20 0 BDADHO COCC[C@H]1CCCC[N@@H+]1C1CCNCC1 ZINC001246788593 988469455 /nfs/dbraw/zinc/46/94/55/988469455.db2.gz UKNVZYIHQXCSRK-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO COCC[C@H]1CCCC[N@H+]1C1CCNCC1 ZINC001246788593 988469462 /nfs/dbraw/zinc/46/94/62/988469462.db2.gz UKNVZYIHQXCSRK-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO [NH3+][C@]12C[C@H]1CN([C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001246868729 988628973 /nfs/dbraw/zinc/62/89/73/988628973.db2.gz KXSZGXZYOCUPQW-CFVMTHIKSA-N 1 3 246.329 1.716 20 0 BDADHO CN[C@@H]1CCN1[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246895856 988668789 /nfs/dbraw/zinc/66/87/89/988668789.db2.gz FXIBHASZYQUISD-ZNMIVQPWSA-N 1 3 245.370 1.731 20 0 BDADHO C[C@@H]1C[C@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996526 988828971 /nfs/dbraw/zinc/82/89/71/988828971.db2.gz PBGBFFFZAKGMPQ-BZPMIXESSA-N 1 3 235.375 1.469 20 0 BDADHO CCN1CCN([C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997927 988831264 /nfs/dbraw/zinc/83/12/64/988831264.db2.gz WDWGGQBVTRAPLR-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO CC1(C)[C@@H](NCCc2cn[nH]c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001119630778 989266408 /nfs/dbraw/zinc/26/64/08/989266408.db2.gz JVPGCCLVFMCCTR-AGIUHOORSA-N 1 3 248.374 1.318 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC001119630778 989266418 /nfs/dbraw/zinc/26/64/18/989266418.db2.gz JVPGCCLVFMCCTR-AGIUHOORSA-N 1 3 248.374 1.318 20 0 BDADHO CC[C@H](CO)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001119852923 989443116 /nfs/dbraw/zinc/44/31/16/989443116.db2.gz YSHZNXNWPYSSCS-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](CO)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001119852923 989443125 /nfs/dbraw/zinc/44/31/25/989443125.db2.gz YSHZNXNWPYSSCS-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](CO)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001119852923 989443132 /nfs/dbraw/zinc/44/31/32/989443132.db2.gz YSHZNXNWPYSSCS-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC001326688532 989653309 /nfs/dbraw/zinc/65/33/09/989653309.db2.gz SOBVYCRYRQUVEM-QJPTWQEYSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](O)CN[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001120521370 989694360 /nfs/dbraw/zinc/69/43/60/989694360.db2.gz JPEYIHDJNGVGFF-QJPTWQEYSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1NC[C@H](C)N(C(=O)CCCCC[NH3+])[C@H]1C ZINC001522823481 989879810 /nfs/dbraw/zinc/87/98/10/989879810.db2.gz BWJJQVPEHQKYKW-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001524167058 989979254 /nfs/dbraw/zinc/97/92/54/989979254.db2.gz AZWVLHLQXZHAGV-HAQNSBGRSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NCCCCCC[NH3+] ZINC001122007775 990177195 /nfs/dbraw/zinc/17/71/95/990177195.db2.gz RANVXBYLOPGSNY-VXGBXAGGSA-N 1 3 243.395 1.385 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073248 990221013 /nfs/dbraw/zinc/22/10/13/990221013.db2.gz DWHUFAHTVSWYPE-WISYIIOYSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122393325 990369168 /nfs/dbraw/zinc/36/91/68/990369168.db2.gz WNIZHNFITKBVGO-NEPJUHHUSA-N 1 3 241.379 1.008 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001258113459 991023391 /nfs/dbraw/zinc/02/33/91/991023391.db2.gz WCUIQJNZOGPIHO-NWDGAFQWSA-N 1 3 244.379 1.635 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001258113459 991023401 /nfs/dbraw/zinc/02/34/01/991023401.db2.gz WCUIQJNZOGPIHO-NWDGAFQWSA-N 1 3 244.379 1.635 20 0 BDADHO C[NH+](C)CCOc1ccc(CN2CC=CC2)cc1 ZINC001138770279 991035528 /nfs/dbraw/zinc/03/55/28/991035528.db2.gz XBHIHULJHXHGSB-UHFFFAOYSA-N 1 3 246.354 1.999 20 0 BDADHO C[NH+]1CCC2(CN(Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001139469050 991252110 /nfs/dbraw/zinc/25/21/10/991252110.db2.gz GUQLKYZHLDHGHW-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO COC(=O)CC[C@H](C)[NH2+]CCCN1CCCC1 ZINC001258345353 991272432 /nfs/dbraw/zinc/27/24/32/991272432.db2.gz IBLDAEZBZDMKQQ-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001317468289 991540362 /nfs/dbraw/zinc/54/03/62/991540362.db2.gz VGZUEQPNXUESJQ-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001317468289 991540370 /nfs/dbraw/zinc/54/03/70/991540370.db2.gz VGZUEQPNXUESJQ-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CCN(CCC[NH+](C)C)C[C@H](C)OC ZINC001560811190 991611830 /nfs/dbraw/zinc/61/18/30/991611830.db2.gz BFTXQIKMHYIVMU-NSHDSACASA-N 1 3 202.342 1.295 20 0 BDADHO C[C@@H](Cc1cccc(Cl)c1)NC[C@@H](O)C[NH3+] ZINC001258739358 991688670 /nfs/dbraw/zinc/68/86/70/991688670.db2.gz XLJLRNSEXHGIAZ-CABZTGNLSA-N 1 3 242.750 1.180 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001258766787 991726352 /nfs/dbraw/zinc/72/63/52/991726352.db2.gz AILQLYDHSJIQNY-CHWSQXEVSA-N 1 3 244.354 1.577 20 0 BDADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccnc(CO)c1 ZINC001262354093 992855394 /nfs/dbraw/zinc/85/53/94/992855394.db2.gz YJQUSVTVLPYRQQ-KBPBESRZSA-N 1 3 249.358 1.859 20 0 BDADHO C1CC2(C1)CC([NH2+][C@H]1C[C@H]3CC[C@@H]1N3)C2 ZINC001574795704 992911569 /nfs/dbraw/zinc/91/15/69/992911569.db2.gz OWJWZPUSGHXTRP-USWWRNFRSA-N 1 3 206.333 1.802 20 0 BDADHO C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@H]2CCOC2)C1 ZINC001574801593 992913517 /nfs/dbraw/zinc/91/35/17/992913517.db2.gz SHPHRNBJMHHZFP-QNWHQSFQSA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+]C1CSC1 ZINC001575130468 992991927 /nfs/dbraw/zinc/99/19/27/992991927.db2.gz NDWUOCRPHRRJOP-SECBINFHSA-N 1 3 216.394 1.845 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC001575473639 993052665 /nfs/dbraw/zinc/05/26/65/993052665.db2.gz WAIREJQJSFVWTP-IJLUTSLNSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC001575473359 993053596 /nfs/dbraw/zinc/05/35/96/993053596.db2.gz UMNQUFIBOONIPI-OCCSQVGLSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC001575473359 993053602 /nfs/dbraw/zinc/05/36/02/993053602.db2.gz UMNQUFIBOONIPI-OCCSQVGLSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)CC[C@H](CO)N[C@H](C)C[C@H]1CCC[NH2+]1 ZINC001575555334 993072916 /nfs/dbraw/zinc/07/29/16/993072916.db2.gz RMQHAEBXYDNTPP-MGPQQGTHSA-N 1 3 242.407 1.904 20 0 BDADHO CC(C)CC[C@@H](O)CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575565730 993074297 /nfs/dbraw/zinc/07/42/97/993074297.db2.gz OPROINVVOLLRIH-HZSPNIEDSA-N 1 3 240.391 1.325 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001263107154 993118953 /nfs/dbraw/zinc/11/89/53/993118953.db2.gz PGBFAMSSXDYJFE-BJDJZHNGSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@H](CC(=O)Nc1ccccc1)N[C@H]1C[C@H]([NH3+])C1 ZINC001575920800 993126391 /nfs/dbraw/zinc/12/63/91/993126391.db2.gz BGZQUYXGTDLSBL-NQBHXWOUSA-N 1 3 247.342 1.483 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1ncccc1F ZINC001575951392 993135398 /nfs/dbraw/zinc/13/53/98/993135398.db2.gz APYGCVKWUOHTLH-VIFPVBQESA-N 1 3 211.284 1.438 20 0 BDADHO C[C@H](Cc1ccno1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001576066597 993171408 /nfs/dbraw/zinc/17/14/08/993171408.db2.gz OLOLVAQOTJGGDZ-MXWKQRLJSA-N 1 3 223.320 1.051 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC001576116918 993187559 /nfs/dbraw/zinc/18/75/59/993187559.db2.gz BSJUKTMSXBVANK-ZYHUDNBSSA-N 1 3 235.331 1.346 20 0 BDADHO CO[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665152 993197744 /nfs/dbraw/zinc/19/77/44/993197744.db2.gz FPNRRQKTWLYURO-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665152 993197751 /nfs/dbraw/zinc/19/77/51/993197751.db2.gz FPNRRQKTWLYURO-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H](N)C[N@@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001576157660 993198084 /nfs/dbraw/zinc/19/80/84/993198084.db2.gz UEOGTCFNEUEONF-OCCSQVGLSA-N 1 3 234.343 1.317 20 0 BDADHO C[C@@H](N)C[N@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001576157660 993198093 /nfs/dbraw/zinc/19/80/93/993198093.db2.gz UEOGTCFNEUEONF-OCCSQVGLSA-N 1 3 234.343 1.317 20 0 BDADHO CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CCNCC2)C1 ZINC001576446138 993308478 /nfs/dbraw/zinc/30/84/78/993308478.db2.gz KJGYMVYVNQELSS-VXGBXAGGSA-N 1 3 226.364 1.268 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CCO ZINC000380171918 993319034 /nfs/dbraw/zinc/31/90/34/993319034.db2.gz HWZKNEFAFSJTHI-RYUDHWBXSA-N 1 3 216.369 1.467 20 0 BDADHO CC1(C)OC[C@H](CN[C@H](C[NH3+])C2CCCC2)O1 ZINC001576495277 993322290 /nfs/dbraw/zinc/32/22/90/993322290.db2.gz MWUZTAVJSKJDRR-NWDGAFQWSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC001576622182 993373982 /nfs/dbraw/zinc/37/39/82/993373982.db2.gz AURDGLJZAUVHLZ-WISYIIOYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C[C@H]1CO ZINC001576728990 993404826 /nfs/dbraw/zinc/40/48/26/993404826.db2.gz BKTZFCILYQWLCP-RDBSUJKOSA-N 1 3 240.391 1.326 20 0 BDADHO CC[C@](C)(CNC[C@H]([NH3+])CC(F)(F)F)OC ZINC001576949800 993465135 /nfs/dbraw/zinc/46/51/35/993465135.db2.gz QPUMIRZCUKQKHB-RKDXNWHRSA-N 1 3 242.285 1.671 20 0 BDADHO CCC(CC)(CN)C[NH2+][C@@H]1CCC[C@H]1O ZINC001577052154 993490925 /nfs/dbraw/zinc/49/09/25/993490925.db2.gz KJLFKHOMWAKBJG-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO CCC(O)(CC)CNC[C@H]([NH3+])CC(F)F ZINC001577179220 993531335 /nfs/dbraw/zinc/53/13/35/993531335.db2.gz GOXOYFPWBKZZCT-MRVPVSSYSA-N 1 3 224.295 1.110 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](C2CCSCC2)C1 ZINC000389752618 993763024 /nfs/dbraw/zinc/76/30/24/993763024.db2.gz ZKOPMGLBMGTVFG-NSHDSACASA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@@H]1CCCC[N@H+](C2CCSCC2)C1 ZINC000389752618 993763034 /nfs/dbraw/zinc/76/30/34/993763034.db2.gz ZKOPMGLBMGTVFG-NSHDSACASA-N 1 3 228.405 1.943 20 0 BDADHO Cc1cc(C[NH2+][C@H]2CCCN(C)CC2)ccn1 ZINC000391191184 993807585 /nfs/dbraw/zinc/80/75/85/993807585.db2.gz YRNPQEBODYHTPQ-AWEZNQCLSA-N 1 3 233.359 1.964 20 0 BDADHO CCO[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701663922 993901815 /nfs/dbraw/zinc/90/18/15/993901815.db2.gz TZTHLPHQCPNWLT-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000701663922 993901825 /nfs/dbraw/zinc/90/18/25/993901825.db2.gz TZTHLPHQCPNWLT-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000701663922 993901839 /nfs/dbraw/zinc/90/18/39/993901839.db2.gz TZTHLPHQCPNWLT-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO N[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000393211556 993915458 /nfs/dbraw/zinc/91/54/58/993915458.db2.gz MDSVEXCVNHBBFE-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO N[C@@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000393211556 993915470 /nfs/dbraw/zinc/91/54/70/993915470.db2.gz MDSVEXCVNHBBFE-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC001336854545 995111785 /nfs/dbraw/zinc/11/17/85/995111785.db2.gz OCHQTIUDXFXPLB-XGFWRYKXSA-N 1 3 238.375 1.077 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1cccc(F)c1 ZINC000422942127 398159193 /nfs/dbraw/zinc/15/91/93/398159193.db2.gz KEATYSAOUDUOEM-GHMZBOCLSA-N 1 3 240.322 1.920 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1cccs1 ZINC000379574828 398153141 /nfs/dbraw/zinc/15/31/41/398153141.db2.gz LAHAQUUTDFAWQL-UWVGGRQHSA-N 1 3 212.362 1.864 20 0 BDADHO COC[C@H](NCC1([NH3+])CCCCC1)C(C)C ZINC000423174595 398164287 /nfs/dbraw/zinc/16/42/87/398164287.db2.gz BGRGZEJAAKDCFM-LBPRGKRZSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000647803970 398214553 /nfs/dbraw/zinc/21/45/53/398214553.db2.gz GGOCRYXUECNZOK-XKNYDFJKSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCS[C@H]1C ZINC000647803970 398214556 /nfs/dbraw/zinc/21/45/56/398214556.db2.gz GGOCRYXUECNZOK-XKNYDFJKSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCS[C@H]1C ZINC000647803987 398214607 /nfs/dbraw/zinc/21/46/07/398214607.db2.gz GZZHWQWQBMSZBN-HTFCKZLJSA-N 1 3 244.404 1.222 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCS[C@H]1C ZINC000647803987 398214612 /nfs/dbraw/zinc/21/46/12/398214612.db2.gz GZZHWQWQBMSZBN-HTFCKZLJSA-N 1 3 244.404 1.222 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000380980438 398216375 /nfs/dbraw/zinc/21/63/75/398216375.db2.gz CHGXLPNFZFJTGS-QWHCGFSZSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000380980438 398216377 /nfs/dbraw/zinc/21/63/77/398216377.db2.gz CHGXLPNFZFJTGS-QWHCGFSZSA-N 1 3 228.380 1.562 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000381168025 398231575 /nfs/dbraw/zinc/23/15/75/398231575.db2.gz SUMHOQSWQVGLOW-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]1C[C@H](N(C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017246 349524214 /nfs/dbraw/zinc/52/42/14/349524214.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 1 3 236.363 1.298 20 0 BDADHO C[C@@H]1C[C@H](N(C)CCn2ccnc2)CC[N@H+]1C ZINC000162017246 349524218 /nfs/dbraw/zinc/52/42/18/349524218.db2.gz BHRVHZHDOJOYKJ-CHWSQXEVSA-N 1 3 236.363 1.298 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539070 538939799 /nfs/dbraw/zinc/93/97/99/538939799.db2.gz KBXISIOZTSHBLY-YPMHNXCESA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539070 538939800 /nfs/dbraw/zinc/93/98/00/538939800.db2.gz KBXISIOZTSHBLY-YPMHNXCESA-N 1 3 225.380 1.153 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000576479977 365608169 /nfs/dbraw/zinc/60/81/69/365608169.db2.gz SPKZMMKVYCVGSZ-IRCOFANPSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)c1ccsc1 ZINC000231980509 136228949 /nfs/dbraw/zinc/22/89/49/136228949.db2.gz WUMDYSKPQGZMOL-ZMLRMANQSA-N 1 3 240.372 1.499 20 0 BDADHO CC(C)[C@@H]1CN(C[C@H]2CC[NH2+]C2)CCS1 ZINC000390756816 398247380 /nfs/dbraw/zinc/24/73/80/398247380.db2.gz IIYBACMEANFYOM-RYUDHWBXSA-N 1 3 228.405 1.669 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576703094 365662937 /nfs/dbraw/zinc/66/29/37/365662937.db2.gz AMWOUYPHNRKBAS-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO NCCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576703094 365662942 /nfs/dbraw/zinc/66/29/42/365662942.db2.gz AMWOUYPHNRKBAS-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO C[N@H+](C[C@H]1CCCCO1)C1CCNCC1 ZINC000036300546 398260822 /nfs/dbraw/zinc/26/08/22/398260822.db2.gz HPCPRDNRFWPCFQ-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO C[N@@H+](C[C@H]1CCCCO1)C1CCNCC1 ZINC000036300546 398260825 /nfs/dbraw/zinc/26/08/25/398260825.db2.gz HPCPRDNRFWPCFQ-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO CCOC[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162139416 349574161 /nfs/dbraw/zinc/57/41/61/349574161.db2.gz IHPXWKKVGKMWRH-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCOC[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162139416 349574165 /nfs/dbraw/zinc/57/41/65/349574165.db2.gz IHPXWKKVGKMWRH-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166569557 361853221 /nfs/dbraw/zinc/85/32/21/361853221.db2.gz AAPKPKCEPJIIRX-LLVKDONJSA-N 1 3 202.342 1.341 20 0 BDADHO COc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631838659 398285145 /nfs/dbraw/zinc/28/51/45/398285145.db2.gz SKNUIMHOZGJYME-WCQYABFASA-N 1 3 234.343 1.722 20 0 BDADHO Fc1cccc(CCCN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000348749026 136237966 /nfs/dbraw/zinc/23/79/66/136237966.db2.gz MKUWIDSEWWCMFE-ZIAGYGMSSA-N 1 3 248.345 1.910 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000167602799 488180775 /nfs/dbraw/zinc/18/07/75/488180775.db2.gz XCXTZMWZWJIXEH-WOPDTQHZSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000167602799 488180781 /nfs/dbraw/zinc/18/07/81/488180781.db2.gz XCXTZMWZWJIXEH-WOPDTQHZSA-N 1 3 214.353 1.186 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678045194 488180957 /nfs/dbraw/zinc/18/09/57/488180957.db2.gz YPUQHCICHQSSRA-QWHCGFSZSA-N 1 3 228.380 1.279 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678045194 488180960 /nfs/dbraw/zinc/18/09/60/488180960.db2.gz YPUQHCICHQSSRA-QWHCGFSZSA-N 1 3 228.380 1.279 20 0 BDADHO CCc1ccccc1[C@H](N)CNC(=O)CCC[NH3+] ZINC000417823828 398294743 /nfs/dbraw/zinc/29/47/43/398294743.db2.gz AOKKBULVYAVRLZ-CYBMUJFWSA-N 1 3 249.358 1.104 20 0 BDADHO C[C@@H]1C[N@H+](CCCNC2CSC2)CCCO1 ZINC000390510312 539022663 /nfs/dbraw/zinc/02/26/63/539022663.db2.gz ZGJSDVJDXIYARW-LLVKDONJSA-N 1 3 244.404 1.192 20 0 BDADHO C[C@@H]1C[N@@H+](CCCNC2CSC2)CCCO1 ZINC000390510312 539022664 /nfs/dbraw/zinc/02/26/64/539022664.db2.gz ZGJSDVJDXIYARW-LLVKDONJSA-N 1 3 244.404 1.192 20 0 BDADHO C[C@@H]1CC[C@H](N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000062948524 539017435 /nfs/dbraw/zinc/01/74/35/539017435.db2.gz VPNJDDBMHHSZJO-YPMHNXCESA-N 1 3 225.380 1.153 20 0 BDADHO CCC[C@@H](C[NH2+]CC1=CCN(C)CC1)OC ZINC000392292267 398317982 /nfs/dbraw/zinc/31/79/82/398317982.db2.gz MURSIYPYJNOBIG-ZDUSSCGKSA-N 1 3 226.364 1.653 20 0 BDADHO Nc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000351482151 136246295 /nfs/dbraw/zinc/24/62/95/136246295.db2.gz ZEYLLXFXAUNSGR-YUTCNCBUSA-N 1 3 231.343 1.438 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000308540010 346881820 /nfs/dbraw/zinc/88/18/20/346881820.db2.gz IHYVBPSDJFAPAW-VWYCJHECSA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)C[C@H](C)CN1CCCO[C@H](C[NH3+])C1 ZINC000313354100 259333733 /nfs/dbraw/zinc/33/37/33/259333733.db2.gz QARRZMCEJUKDFR-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000495260836 529574258 /nfs/dbraw/zinc/57/42/58/529574258.db2.gz HZFZFUUGRZVZRN-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000495260836 529574259 /nfs/dbraw/zinc/57/42/59/529574259.db2.gz HZFZFUUGRZVZRN-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO C[C@H](C[NH3+])N[C@H](C)Cc1ccc(F)cc1 ZINC000235461663 259343922 /nfs/dbraw/zinc/34/39/22/259343922.db2.gz WDFMOIFNYMDSMO-NXEZZACHSA-N 1 3 210.296 1.694 20 0 BDADHO CNCc1cccc(NC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000576849433 365704082 /nfs/dbraw/zinc/70/40/82/365704082.db2.gz XZRBGVXYVOTMOB-CQSZACIVSA-N 1 3 247.342 1.487 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@H]1CN(C)C[C@@H]1C ZINC000336661620 187231108 /nfs/dbraw/zinc/23/11/08/187231108.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 1 3 227.396 1.256 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@H]1CN(C)C[C@@H]1C ZINC000336661620 187231110 /nfs/dbraw/zinc/23/11/10/187231110.db2.gz KCLCRAHUDNXKQB-STQMWFEESA-N 1 3 227.396 1.256 20 0 BDADHO CC(C)[C@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000124630341 187232516 /nfs/dbraw/zinc/23/25/16/187232516.db2.gz UIPBSPNWBAOSOY-HZSPNIEDSA-N 1 3 242.407 1.904 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215682 343151312 /nfs/dbraw/zinc/15/13/12/343151312.db2.gz QPHJBRLOVFUCGT-CHWSQXEVSA-N 1 3 236.363 1.523 20 0 BDADHO C[N@@H+]1CCC[C@@H](CNCC2=CCCOC2)C1 ZINC000124709782 343163976 /nfs/dbraw/zinc/16/39/76/343163976.db2.gz OVLMGPJUPWOGPH-LBPRGKRZSA-N 1 3 224.348 1.265 20 0 BDADHO C[N@H+]1CCC[C@@H](CNCC2=CCCOC2)C1 ZINC000124709782 343163977 /nfs/dbraw/zinc/16/39/77/343163977.db2.gz OVLMGPJUPWOGPH-LBPRGKRZSA-N 1 3 224.348 1.265 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000127283287 343172378 /nfs/dbraw/zinc/17/23/78/343172378.db2.gz ASGIFFBKSUQOAI-LPEHRKFASA-N 1 3 202.367 1.597 20 0 BDADHO CSC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000127283287 343172381 /nfs/dbraw/zinc/17/23/81/343172381.db2.gz ASGIFFBKSUQOAI-LPEHRKFASA-N 1 3 202.367 1.597 20 0 BDADHO CCSCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000158732482 343201623 /nfs/dbraw/zinc/20/16/23/343201623.db2.gz NOXGUHBDLRKRQG-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@@H](C)COC)C1 ZINC000163535810 343206835 /nfs/dbraw/zinc/20/68/35/343206835.db2.gz VSUAQYXDVSQKOS-VXGBXAGGSA-N 1 3 214.353 1.200 20 0 BDADHO C[C@H]1CCC[N@H+](CCN2CCNCC2)CC1 ZINC000082489417 136276666 /nfs/dbraw/zinc/27/66/66/136276666.db2.gz GEPGZWHFGGPFLF-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@H]1CCC[N@@H+](CCN2CCNCC2)CC1 ZINC000082489417 136276667 /nfs/dbraw/zinc/27/66/67/136276667.db2.gz GEPGZWHFGGPFLF-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667985 136282134 /nfs/dbraw/zinc/28/21/34/136282134.db2.gz UOKXTECDFQDTFZ-DCAQKATOSA-N 1 3 214.378 1.599 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000088091300 136284443 /nfs/dbraw/zinc/28/44/43/136284443.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000088091300 136284444 /nfs/dbraw/zinc/28/44/44/136284444.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CCCCO)CC[C@@H]21 ZINC000088091300 136284445 /nfs/dbraw/zinc/28/44/45/136284445.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CCCCO)CC[C@@H]21 ZINC000088091300 136284446 /nfs/dbraw/zinc/28/44/46/136284446.db2.gz YEAFRILIHGCUDH-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+](C2CC2)C2CCNCC2)O1 ZINC000634687389 343239871 /nfs/dbraw/zinc/23/98/71/343239871.db2.gz JKVBWSKMDPIKEP-RISCZKNCSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+](C2CC2)C2CCNCC2)O1 ZINC000634687389 343239872 /nfs/dbraw/zinc/23/98/72/343239872.db2.gz JKVBWSKMDPIKEP-RISCZKNCSA-N 1 3 238.375 1.770 20 0 BDADHO CCC[C@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042513 343331764 /nfs/dbraw/zinc/33/17/64/343331764.db2.gz KISDDWZTWDSEIN-ZDUSSCGKSA-N 1 3 249.358 1.814 20 0 BDADHO COc1cccc2c1C[C@@H]([NH2+]C1CCNCC1)C2 ZINC000335612854 136295659 /nfs/dbraw/zinc/29/56/59/136295659.db2.gz JTCJDXMWFDVKAF-ZDUSSCGKSA-N 1 3 246.354 1.504 20 0 BDADHO COc1cccc2c1C[C@@H](NC1CC[NH2+]CC1)C2 ZINC000335612854 136295660 /nfs/dbraw/zinc/29/56/60/136295660.db2.gz JTCJDXMWFDVKAF-ZDUSSCGKSA-N 1 3 246.354 1.504 20 0 BDADHO Cc1c[nH]nc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335635195 136300783 /nfs/dbraw/zinc/30/07/83/136300783.db2.gz QXEHSDVTOTWGAU-OLZOCXBDSA-N 1 3 248.374 1.540 20 0 BDADHO C[NH+]1CCC(NCc2ccc(O)cc2)CC1 ZINC000037248561 343340844 /nfs/dbraw/zinc/34/08/44/343340844.db2.gz UPFJRDUNDOPUHU-UHFFFAOYSA-N 1 3 220.316 1.576 20 0 BDADHO C(CN[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070964589 343343563 /nfs/dbraw/zinc/34/35/63/343343563.db2.gz PYXOCFSRESZRBC-LBPRGKRZSA-N 1 3 212.337 1.241 20 0 BDADHO C1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)CN1 ZINC000335643654 136303955 /nfs/dbraw/zinc/30/39/55/136303955.db2.gz QZFOJTRFNHRRPI-ZDUSSCGKSA-N 1 3 238.375 1.677 20 0 BDADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)N(C)C ZINC000349147377 136325671 /nfs/dbraw/zinc/32/56/71/136325671.db2.gz XMTPYTLGZOJBCW-NEPJUHHUSA-N 1 3 243.395 1.029 20 0 BDADHO C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H]1CCOC1 ZINC000166319735 136344766 /nfs/dbraw/zinc/34/47/66/136344766.db2.gz RRQMOPBGBKSHET-SMDDNHRTSA-N 1 3 246.354 1.804 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](O)CC1 ZINC000335888800 136358482 /nfs/dbraw/zinc/35/84/82/136358482.db2.gz XVRYKUDFYAFNHO-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](O)CC1 ZINC000335888800 136358483 /nfs/dbraw/zinc/35/84/83/136358483.db2.gz XVRYKUDFYAFNHO-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247982692 136373305 /nfs/dbraw/zinc/37/33/05/136373305.db2.gz NETAXUXTSYKSQU-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247982692 136373306 /nfs/dbraw/zinc/37/33/06/136373306.db2.gz NETAXUXTSYKSQU-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247982692 136373307 /nfs/dbraw/zinc/37/33/07/136373307.db2.gz NETAXUXTSYKSQU-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247982692 136373308 /nfs/dbraw/zinc/37/33/08/136373308.db2.gz NETAXUXTSYKSQU-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247983239 136373614 /nfs/dbraw/zinc/37/36/14/136373614.db2.gz IPELLCJSXGBUQM-RWMBFGLXSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247983239 136373615 /nfs/dbraw/zinc/37/36/15/136373615.db2.gz IPELLCJSXGBUQM-RWMBFGLXSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247983239 136373616 /nfs/dbraw/zinc/37/36/16/136373616.db2.gz IPELLCJSXGBUQM-RWMBFGLXSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247983239 136373617 /nfs/dbraw/zinc/37/36/17/136373617.db2.gz IPELLCJSXGBUQM-RWMBFGLXSA-N 1 3 226.364 1.437 20 0 BDADHO CCO[C@H]1C[C@H](NCC[NH3+])C12CCCC2 ZINC000082945695 343472717 /nfs/dbraw/zinc/47/27/17/343472717.db2.gz QKUBZEFABWBVEL-QWRGUYRKSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H]1C[C@H](NCCN(C)CC(F)F)CC[N@@H+]1C ZINC000624324716 343699811 /nfs/dbraw/zinc/69/98/11/343699811.db2.gz SNXRXXVVBZAYGE-WDEREUQCSA-N 1 3 249.349 1.256 20 0 BDADHO C[C@H]1C[C@H](NCCN(C)CC(F)F)CC[N@H+]1C ZINC000624324716 343699813 /nfs/dbraw/zinc/69/98/13/343699813.db2.gz SNXRXXVVBZAYGE-WDEREUQCSA-N 1 3 249.349 1.256 20 0 BDADHO C[C@@H]1C[C@H](NCCN(C)CC(F)F)CC[N@@H+]1C ZINC000624324713 343700024 /nfs/dbraw/zinc/70/00/24/343700024.db2.gz SNXRXXVVBZAYGE-GHMZBOCLSA-N 1 3 249.349 1.256 20 0 BDADHO C[C@@H]1C[C@H](NCCN(C)CC(F)F)CC[N@H+]1C ZINC000624324713 343700026 /nfs/dbraw/zinc/70/00/26/343700026.db2.gz SNXRXXVVBZAYGE-GHMZBOCLSA-N 1 3 249.349 1.256 20 0 BDADHO N[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000037719609 343783422 /nfs/dbraw/zinc/78/34/22/343783422.db2.gz ADIGYINMWINDIN-ZDUSSCGKSA-N 1 3 204.317 1.652 20 0 BDADHO N[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000037719609 343783423 /nfs/dbraw/zinc/78/34/23/343783423.db2.gz ADIGYINMWINDIN-ZDUSSCGKSA-N 1 3 204.317 1.652 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683546 323059764 /nfs/dbraw/zinc/05/97/64/323059764.db2.gz QRVXOGAZPKTSTG-VXGBXAGGSA-N 1 3 226.364 1.364 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](NCC2(O)CCC2)C1 ZINC000567683546 323059765 /nfs/dbraw/zinc/05/97/65/323059765.db2.gz QRVXOGAZPKTSTG-VXGBXAGGSA-N 1 3 226.364 1.364 20 0 BDADHO CCSCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000405468462 343881871 /nfs/dbraw/zinc/88/18/71/343881871.db2.gz KJGBJRLTEOWGKZ-BDAKNGLRSA-N 1 3 202.367 1.455 20 0 BDADHO CCSCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405468462 343881872 /nfs/dbraw/zinc/88/18/72/343881872.db2.gz KJGBJRLTEOWGKZ-BDAKNGLRSA-N 1 3 202.367 1.455 20 0 BDADHO C(C1CC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000042491257 187354964 /nfs/dbraw/zinc/35/49/64/187354964.db2.gz NCSYOAXTKPDZFR-UHFFFAOYSA-N 1 3 237.391 1.014 20 0 BDADHO CC(C)[NH+]1CCC(N(C)C(=O)C(C)(C)N)CC1 ZINC000040935485 187355292 /nfs/dbraw/zinc/35/52/92/187355292.db2.gz ITZYTUPAEQAPNX-UHFFFAOYSA-N 1 3 241.379 1.055 20 0 BDADHO COc1ccc(CCN2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000049707579 187357158 /nfs/dbraw/zinc/35/71/58/187357158.db2.gz GWVWTAYJWVNJNN-WFASDCNBSA-N 1 3 248.370 1.907 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@H]3CCCOC3)CC[N@@H+]2C1 ZINC000381178094 344112026 /nfs/dbraw/zinc/11/20/26/344112026.db2.gz VPEYVKXRBBRSTR-RWMBFGLXSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@H]3CCCOC3)CC[N@H+]2C1 ZINC000381178094 344112027 /nfs/dbraw/zinc/11/20/27/344112027.db2.gz VPEYVKXRBBRSTR-RWMBFGLXSA-N 1 3 224.348 1.382 20 0 BDADHO C([NH2+][C@]12CCC[C@@H]1CNC2)[C@@H]1CCSC1 ZINC000634733554 344114087 /nfs/dbraw/zinc/11/40/87/344114087.db2.gz IGSXZBCIRXOQHJ-TUAOUCFPSA-N 1 3 226.389 1.471 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043990 344227927 /nfs/dbraw/zinc/22/79/27/344227927.db2.gz RBJSWACWBAWGCF-VLEAKVRGSA-N 1 3 248.317 1.374 20 0 BDADHO CO[C@H](C)[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000131888034 344237578 /nfs/dbraw/zinc/23/75/78/344237578.db2.gz UOZKGEMYXMWWFF-GHMZBOCLSA-N 1 3 216.369 1.587 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000306572186 344278573 /nfs/dbraw/zinc/27/85/73/344278573.db2.gz HOKXRASAFOIQSB-RCWTZXSCSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000306572186 344278574 /nfs/dbraw/zinc/27/85/74/344278574.db2.gz HOKXRASAFOIQSB-RCWTZXSCSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@H](CC[NH+](C)C)NCc1[nH]nc2ccccc21 ZINC000381306477 344493451 /nfs/dbraw/zinc/49/34/51/344493451.db2.gz BXTTYOPBNVHDFV-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CCCS1 ZINC000160692904 187359468 /nfs/dbraw/zinc/35/94/68/187359468.db2.gz DAJVAQUDHXIMGQ-MNOVXSKESA-N 1 3 214.378 1.614 20 0 BDADHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCS1 ZINC000160692904 187359469 /nfs/dbraw/zinc/35/94/69/187359469.db2.gz DAJVAQUDHXIMGQ-MNOVXSKESA-N 1 3 214.378 1.614 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+]CCCCN1CCN(C)CC1 ZINC000583357555 344762982 /nfs/dbraw/zinc/76/29/82/344762982.db2.gz YSJSPQNRRKPCJB-ZIAGYGMSSA-N 1 3 239.407 1.260 20 0 BDADHO C(CN1CCN(CC2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000089749253 345108923 /nfs/dbraw/zinc/10/89/23/345108923.db2.gz PIFUWZCQMFZCKO-CYBMUJFWSA-N 1 3 237.391 1.014 20 0 BDADHO CCN1CCCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC000634995910 345185990 /nfs/dbraw/zinc/18/59/90/345185990.db2.gz SMXHQABHEQIPQC-MOKVOYLWSA-N 1 3 237.391 1.202 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@@H]2CCCCO2)C1 ZINC000235438910 537891676 /nfs/dbraw/zinc/89/16/76/537891676.db2.gz DIROSGDUAWTKKK-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(CN)CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000235438910 537891684 /nfs/dbraw/zinc/89/16/84/537891684.db2.gz DIROSGDUAWTKKK-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000235438910 537891692 /nfs/dbraw/zinc/89/16/92/537891692.db2.gz DIROSGDUAWTKKK-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1Cc2ccccc2O1 ZINC000227062748 345246288 /nfs/dbraw/zinc/24/62/88/345246288.db2.gz SKEVRIHLDJNTOL-MELADBBJSA-N 1 3 246.354 1.707 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000227062748 345246293 /nfs/dbraw/zinc/24/62/93/345246293.db2.gz SKEVRIHLDJNTOL-MELADBBJSA-N 1 3 246.354 1.707 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000634999596 345199898 /nfs/dbraw/zinc/19/98/98/345199898.db2.gz WUOATAXGOYUMJZ-MWLCHTKSSA-N 1 3 235.331 1.122 20 0 BDADHO CC(C)(C)CCN1CCC([NH2+]CCO)CC1 ZINC000635001466 345201141 /nfs/dbraw/zinc/20/11/41/345201141.db2.gz TWOFOTANSIXIPQ-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)[C@@H](C)O1 ZINC000635005436 345209101 /nfs/dbraw/zinc/20/91/01/345209101.db2.gz NNDNKKMNURGBQU-VEGXAWMVSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)[C@@H](C)O1 ZINC000635005436 345209102 /nfs/dbraw/zinc/20/91/02/345209102.db2.gz NNDNKKMNURGBQU-VEGXAWMVSA-N 1 3 226.364 1.530 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007098 345211258 /nfs/dbraw/zinc/21/12/58/345211258.db2.gz ABHBAEYTAPHYHD-UTUOFQBUSA-N 1 3 228.380 1.778 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000228451267 345341732 /nfs/dbraw/zinc/34/17/32/345341732.db2.gz ZGAXGIOKAZGFNJ-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000228451267 345341735 /nfs/dbraw/zinc/34/17/35/345341735.db2.gz ZGAXGIOKAZGFNJ-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO COCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158966457 345392936 /nfs/dbraw/zinc/39/29/36/345392936.db2.gz HZDYTZCEUBXQIZ-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158966457 345392939 /nfs/dbraw/zinc/39/29/39/345392939.db2.gz HZDYTZCEUBXQIZ-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000221038009 535003207 /nfs/dbraw/zinc/00/32/07/535003207.db2.gz WWVGIGXMUGCIPW-CYBMUJFWSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)(N)C[NH2+]CCOCc1ccccc1 ZINC000164762029 345738864 /nfs/dbraw/zinc/73/88/64/345738864.db2.gz PCDJSSMAWKZLQN-UHFFFAOYSA-N 1 3 222.332 1.530 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1CCCNCC1 ZINC000147486902 345710932 /nfs/dbraw/zinc/71/09/32/345710932.db2.gz RSBBGGFKAASOHB-UHFFFAOYSA-N 1 3 228.336 1.015 20 0 BDADHO CCOC(=O)CCCC[N@H+]1CCCNCC1 ZINC000147486902 345710935 /nfs/dbraw/zinc/71/09/35/345710935.db2.gz RSBBGGFKAASOHB-UHFFFAOYSA-N 1 3 228.336 1.015 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159984384 345772567 /nfs/dbraw/zinc/77/25/67/345772567.db2.gz PNDZPQWNBJDJML-YVECIDJPSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159984384 345772571 /nfs/dbraw/zinc/77/25/71/345772571.db2.gz PNDZPQWNBJDJML-YVECIDJPSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000159984384 345772574 /nfs/dbraw/zinc/77/25/74/345772574.db2.gz PNDZPQWNBJDJML-YVECIDJPSA-N 1 3 226.364 1.220 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@H]2C[NH3+])o1 ZINC000562959369 345839750 /nfs/dbraw/zinc/83/97/50/345839750.db2.gz GPNFCIHYIISMAL-AAEUAGOBSA-N 1 3 222.332 1.848 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)o1 ZINC000562959369 345839752 /nfs/dbraw/zinc/83/97/52/345839752.db2.gz GPNFCIHYIISMAL-AAEUAGOBSA-N 1 3 222.332 1.848 20 0 BDADHO CC[NH+]1CCC(CNCc2cnc(C)o2)CC1 ZINC000628213853 345876300 /nfs/dbraw/zinc/87/63/00/345876300.db2.gz AGZNHQVDWLSZAS-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCCC[C@@H]1CCN ZINC000163540900 323103629 /nfs/dbraw/zinc/10/36/29/323103629.db2.gz GDFAZGAUGUMLHW-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@H](C)C[N@H+]1CCCC[C@@H]1CCN ZINC000163540900 323103630 /nfs/dbraw/zinc/10/36/30/323103630.db2.gz GDFAZGAUGUMLHW-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC000581499795 347338931 /nfs/dbraw/zinc/33/89/31/347338931.db2.gz SGWDEAUVURLXSN-UPJWGTAASA-N 1 3 242.363 1.042 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000388357848 347354581 /nfs/dbraw/zinc/35/45/81/347354581.db2.gz JWKSNYBVSCBHRQ-RYUDHWBXSA-N 1 3 214.353 1.520 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000388382077 347375476 /nfs/dbraw/zinc/37/54/76/347375476.db2.gz RQMPSXVDXBJIFX-STQMWFEESA-N 1 3 228.380 1.910 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000149765681 347514087 /nfs/dbraw/zinc/51/40/87/347514087.db2.gz UXPSDSKJQIYQHK-FVCCEPFGSA-N 1 3 226.364 1.613 20 0 BDADHO COC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488012 362911455 /nfs/dbraw/zinc/91/14/55/362911455.db2.gz DRSOOGCEJVNYBN-RYUDHWBXSA-N 1 3 244.379 1.110 20 0 BDADHO COC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488012 362911459 /nfs/dbraw/zinc/91/14/59/362911459.db2.gz DRSOOGCEJVNYBN-RYUDHWBXSA-N 1 3 244.379 1.110 20 0 BDADHO Cc1cc(CNCCOCC[NH+](C)C)ccn1 ZINC000623494534 362919044 /nfs/dbraw/zinc/91/90/44/362919044.db2.gz TVLZIJPHXYBJPH-UHFFFAOYSA-N 1 3 237.347 1.058 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@H]([NH3+])C[C@H]2C)O1 ZINC000251798518 362922587 /nfs/dbraw/zinc/92/25/87/362922587.db2.gz LVMUFSPIZVWESH-WISYIIOYSA-N 1 3 212.337 1.366 20 0 BDADHO COc1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000535760079 323190753 /nfs/dbraw/zinc/19/07/53/323190753.db2.gz RTQNZJFIGVFAHF-UHFFFAOYSA-N 1 3 234.343 1.881 20 0 BDADHO CCSC1(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000596650065 348605134 /nfs/dbraw/zinc/60/51/34/348605134.db2.gz FREXRGDBFVYQQB-UWVGGRQHSA-N 1 3 216.394 1.988 20 0 BDADHO CCSC1(CN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000596650065 348605136 /nfs/dbraw/zinc/60/51/36/348605136.db2.gz FREXRGDBFVYQQB-UWVGGRQHSA-N 1 3 216.394 1.988 20 0 BDADHO CCSC1(CN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000596650439 348606312 /nfs/dbraw/zinc/60/63/12/348606312.db2.gz ISAFRGDSWCCUFN-UWVGGRQHSA-N 1 3 214.378 1.742 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CO[C@H](C)C2)CC1 ZINC000401891837 348607635 /nfs/dbraw/zinc/60/76/35/348607635.db2.gz ONNOFHFXSGYRPT-DGCLKSJQSA-N 1 3 226.364 1.628 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CO[C@@H](C)C2)CC1 ZINC000401891835 348608077 /nfs/dbraw/zinc/60/80/77/348608077.db2.gz ONNOFHFXSGYRPT-AAEUAGOBSA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)CC(C)(C)C ZINC000308823834 348761436 /nfs/dbraw/zinc/76/14/36/348761436.db2.gz KIGDRJGSNPEVPS-NSHDSACASA-N 1 3 216.369 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)CC(C)(C)C ZINC000308823834 348761437 /nfs/dbraw/zinc/76/14/37/348761437.db2.gz KIGDRJGSNPEVPS-NSHDSACASA-N 1 3 216.369 1.277 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000250999037 349180964 /nfs/dbraw/zinc/18/09/64/349180964.db2.gz DHBJHRDCXHSDCT-QNWHQSFQSA-N 1 3 226.364 1.397 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000250363047 349169454 /nfs/dbraw/zinc/16/94/54/349169454.db2.gz UHNURHIVYYERQM-FRRDWIJNSA-N 1 3 225.380 1.330 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250521233 349174952 /nfs/dbraw/zinc/17/49/52/349174952.db2.gz STRXLTKSFOSKMO-RYUDHWBXSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCSC2)C1 ZINC000250521233 349174957 /nfs/dbraw/zinc/17/49/57/349174957.db2.gz STRXLTKSFOSKMO-RYUDHWBXSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCSC2)C1 ZINC000250521233 349174960 /nfs/dbraw/zinc/17/49/60/349174960.db2.gz STRXLTKSFOSKMO-RYUDHWBXSA-N 1 3 228.405 1.812 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000253019855 349226369 /nfs/dbraw/zinc/22/63/69/349226369.db2.gz JJQKOKQOVPDDHL-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO C[NH2+]CC1CCN([C@H](C)c2cnccn2)CC1 ZINC000070480033 350014862 /nfs/dbraw/zinc/01/48/62/350014862.db2.gz MODJPOWHEBQLOP-LLVKDONJSA-N 1 3 234.347 1.469 20 0 BDADHO CC[NH+](CC)CCSCCN(C)C ZINC000131201966 191011782 /nfs/dbraw/zinc/01/17/82/191011782.db2.gz BRBODWMLFKOISS-UHFFFAOYSA-N 1 3 204.383 1.623 20 0 BDADHO CCCCN(C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422708934 192438072 /nfs/dbraw/zinc/43/80/72/192438072.db2.gz JVXFOPUSMXIDOH-STQMWFEESA-N 1 3 227.396 1.435 20 0 BDADHO Cc1nccn1CCCN(C)[C@@H](C[NH3+])C1CC1 ZINC000360000378 180236960 /nfs/dbraw/zinc/23/69/60/180236960.db2.gz KVHBIEBXWGYQHQ-ZDUSSCGKSA-N 1 3 236.363 1.251 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2COc3ccccc3C2)C1 ZINC000328144064 350376610 /nfs/dbraw/zinc/37/66/10/350376610.db2.gz RCVBJMBTLVVSTK-MCIONIFRSA-N 1 3 246.354 1.850 20 0 BDADHO C[C@@H](C[NH2+]CC1(C)COC1)CN1CCCC1 ZINC000070617525 350550080 /nfs/dbraw/zinc/55/00/80/350550080.db2.gz WEVRAFCUKQMEJK-LBPRGKRZSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000070624129 350553733 /nfs/dbraw/zinc/55/37/33/350553733.db2.gz MLBRZJPXVLNBRW-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1CC[N@H+](CC)C1 ZINC000070624129 350553735 /nfs/dbraw/zinc/55/37/35/350553735.db2.gz MLBRZJPXVLNBRW-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000070624129 350553738 /nfs/dbraw/zinc/55/37/38/350553738.db2.gz MLBRZJPXVLNBRW-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CN(C)C1(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623551745 362971661 /nfs/dbraw/zinc/97/16/61/362971661.db2.gz GBUJXXQAAPISIR-LBPRGKRZSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C1(C[NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623551745 362971649 /nfs/dbraw/zinc/97/16/49/362971649.db2.gz GBUJXXQAAPISIR-LBPRGKRZSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C1(CN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623551745 362971657 /nfs/dbraw/zinc/97/16/57/362971657.db2.gz GBUJXXQAAPISIR-LBPRGKRZSA-N 1 3 239.407 1.543 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CC)C1 ZINC000564794063 350662355 /nfs/dbraw/zinc/66/23/55/350662355.db2.gz SUTUYSQNYLUBNV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CC)C1 ZINC000564794063 350662359 /nfs/dbraw/zinc/66/23/59/350662359.db2.gz SUTUYSQNYLUBNV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CC)C1 ZINC000564794063 350662362 /nfs/dbraw/zinc/66/23/62/350662362.db2.gz SUTUYSQNYLUBNV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000563270981 350747183 /nfs/dbraw/zinc/74/71/83/350747183.db2.gz ICHKUDKEISINAV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000563270981 350747186 /nfs/dbraw/zinc/74/71/86/350747186.db2.gz ICHKUDKEISINAV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000563270981 350747187 /nfs/dbraw/zinc/74/71/87/350747187.db2.gz ICHKUDKEISINAV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CCOC(=O)CC1CCN(CCC[NH3+])CC1 ZINC000414680829 351588565 /nfs/dbraw/zinc/58/85/65/351588565.db2.gz UTGCILKVLZCIEC-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](N)C(C)C ZINC000037001260 358465818 /nfs/dbraw/zinc/46/58/18/358465818.db2.gz HEDFQGSHYVOUPK-VXGBXAGGSA-N 1 3 243.395 1.062 20 0 BDADHO CN(C)C1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637928157 351803493 /nfs/dbraw/zinc/80/34/93/351803493.db2.gz VGZPAFUFNHRCIT-ZDUSSCGKSA-N 1 3 226.364 1.582 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000638077936 351951276 /nfs/dbraw/zinc/95/12/76/351951276.db2.gz YORPZGQNJUCWHN-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638195268 352058225 /nfs/dbraw/zinc/05/82/25/352058225.db2.gz LARNLEIYJFOGCC-RYUDHWBXSA-N 1 3 241.379 1.008 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000638366786 352178106 /nfs/dbraw/zinc/17/81/06/352178106.db2.gz RLVXWXLVZUDTAO-JTQLQIEISA-N 1 3 235.331 1.390 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000638380595 352190769 /nfs/dbraw/zinc/19/07/69/352190769.db2.gz CUGWDZKMEDRHHV-QWHCGFSZSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)Cc2cnccn2)C1 ZINC000638380595 352190774 /nfs/dbraw/zinc/19/07/74/352190774.db2.gz CUGWDZKMEDRHHV-QWHCGFSZSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)Cc2cnccn2)C1 ZINC000638380595 352190777 /nfs/dbraw/zinc/19/07/77/352190777.db2.gz CUGWDZKMEDRHHV-QWHCGFSZSA-N 1 3 248.374 1.339 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638409441 352218896 /nfs/dbraw/zinc/21/88/96/352218896.db2.gz MHDKIBGIAZPOLH-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@]1(C[NH2+]C[C@@H]2CCSC2)CCCNC1 ZINC000414918266 352273561 /nfs/dbraw/zinc/27/35/61/352273561.db2.gz UCRJJGQASZBBOQ-NWDGAFQWSA-N 1 3 228.405 1.719 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414949123 352370653 /nfs/dbraw/zinc/37/06/53/352370653.db2.gz NBQLRGSMQBOANU-AGIUHOORSA-N 1 3 228.380 1.778 20 0 BDADHO COC[C@H](CC(C)C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414949123 352370654 /nfs/dbraw/zinc/37/06/54/352370654.db2.gz NBQLRGSMQBOANU-AGIUHOORSA-N 1 3 228.380 1.778 20 0 BDADHO CC[C@H](C)CNC[C@]1(COC)CCC[NH2+]1 ZINC000414952029 352371935 /nfs/dbraw/zinc/37/19/35/352371935.db2.gz HSGZPBXBPTTZTN-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H]([NH3+])CC(=O)N1CCCc2cccc(CN)c21 ZINC000638543126 352374330 /nfs/dbraw/zinc/37/43/30/352374330.db2.gz QWJTWGVOPKERRU-JTQLQIEISA-N 1 3 247.342 1.162 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638642240 352485709 /nfs/dbraw/zinc/48/57/09/352485709.db2.gz VYZWXFQHYXYENY-WOPDTQHZSA-N 1 3 241.379 1.007 20 0 BDADHO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000415013986 352550506 /nfs/dbraw/zinc/55/05/06/352550506.db2.gz WDJJWKZCGGWQHL-MNOVXSKESA-N 1 3 222.332 1.911 20 0 BDADHO CC[NH+]1CCC(NCCc2ncc(C)cn2)CC1 ZINC000341906360 352731230 /nfs/dbraw/zinc/73/12/30/352731230.db2.gz MCOAPQPMJSLMCH-UHFFFAOYSA-N 1 3 248.374 1.401 20 0 BDADHO C[C@@H]1C[C@H](CN2CCC([NH+](C)C)CC2)CCO1 ZINC000334253310 352890501 /nfs/dbraw/zinc/89/05/01/352890501.db2.gz XAYQGZXJXUBRGL-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CC1(F)F ZINC000638839222 353016489 /nfs/dbraw/zinc/01/64/89/353016489.db2.gz ZVCRKKGQKHGXQB-MWLCHTKSSA-N 1 3 230.302 1.882 20 0 BDADHO C(C[NH2+]CCCN1CCCC1)C[C@H]1CCO1 ZINC000638849594 353029694 /nfs/dbraw/zinc/02/96/94/353029694.db2.gz XDYGKDAZKKGBLT-ZDUSSCGKSA-N 1 3 226.364 1.631 20 0 BDADHO COc1ccccc1C[C@@H](C)[NH2+]C1CCNCC1 ZINC000038041532 188007349 /nfs/dbraw/zinc/00/73/49/188007349.db2.gz OCHUJNTXFZBNBV-GFCCVEGCSA-N 1 3 248.370 1.968 20 0 BDADHO COc1ccccc1C[C@@H](C)NC1CC[NH2+]CC1 ZINC000038041532 188007351 /nfs/dbraw/zinc/00/73/51/188007351.db2.gz OCHUJNTXFZBNBV-GFCCVEGCSA-N 1 3 248.370 1.968 20 0 BDADHO CC(C)[N@H+](C[C@@H](C)O)C[C@@H]1CCCNC1 ZINC000220371959 188009444 /nfs/dbraw/zinc/00/94/44/188009444.db2.gz ZEILZACDJMXSQA-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+](C[C@@H](C)O)C[C@@H]1CCCNC1 ZINC000220371959 188009445 /nfs/dbraw/zinc/00/94/45/188009445.db2.gz ZEILZACDJMXSQA-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)N(C[C@@H](C)O)C[C@@H]1CCC[NH2+]C1 ZINC000220371959 188009447 /nfs/dbraw/zinc/00/94/47/188009447.db2.gz ZEILZACDJMXSQA-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[NH+]1CCC(N(C)CC2(C)COC2)CC1 ZINC000336720931 188012527 /nfs/dbraw/zinc/01/25/27/188012527.db2.gz YQRWQRZZQMZXOO-UHFFFAOYSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295112519 188038351 /nfs/dbraw/zinc/03/83/51/188038351.db2.gz LVWJZTUYXNWSPE-LLVKDONJSA-N 1 3 235.331 1.457 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000331562380 188052853 /nfs/dbraw/zinc/05/28/53/188052853.db2.gz XJCVZIHIBJAPBU-WOPDTQHZSA-N 1 3 226.364 1.253 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000037619509 358475274 /nfs/dbraw/zinc/47/52/74/358475274.db2.gz KZNBJPMWEUKXBT-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCOC1 ZINC000397223503 324113051 /nfs/dbraw/zinc/11/30/51/324113051.db2.gz LUGROXMSQLXNFD-IJLUTSLNSA-N 1 3 212.337 1.130 20 0 BDADHO CC(C)CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062912438 353573823 /nfs/dbraw/zinc/57/38/23/353573823.db2.gz ZGQXWAZIJHUNIP-AWEZNQCLSA-N 1 3 239.407 1.260 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)c2cccnc2)C1 ZINC000577865694 366091339 /nfs/dbraw/zinc/09/13/39/366091339.db2.gz KIGOYIORGATVSH-MCIONIFRSA-N 1 3 249.358 1.017 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)c2cccnc2)C1 ZINC000577865694 366091344 /nfs/dbraw/zinc/09/13/44/366091344.db2.gz KIGOYIORGATVSH-MCIONIFRSA-N 1 3 249.358 1.017 20 0 BDADHO CCC[C@H](CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)OC ZINC000639113786 353714649 /nfs/dbraw/zinc/71/46/49/353714649.db2.gz VIZZATZLNMSHFM-FRRDWIJNSA-N 1 3 226.364 1.295 20 0 BDADHO CCC[C@H](CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)OC ZINC000639113786 353714650 /nfs/dbraw/zinc/71/46/50/353714650.db2.gz VIZZATZLNMSHFM-FRRDWIJNSA-N 1 3 226.364 1.295 20 0 BDADHO CC(C)COCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000232688739 353749455 /nfs/dbraw/zinc/74/94/55/353749455.db2.gz HBYNSQKINFBVAB-BFHYXJOUSA-N 1 3 240.391 1.718 20 0 BDADHO CC[NH+](CC)[C@H](C)CNC(=O)CN(C)C(C)C ZINC000343559616 353934072 /nfs/dbraw/zinc/93/40/72/353934072.db2.gz FDIJLDUWGMRGRS-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CC[NH+](CC)[C@@H](C)CNC(=O)CN(C)C(C)C ZINC000343559617 353934097 /nfs/dbraw/zinc/93/40/97/353934097.db2.gz FDIJLDUWGMRGRS-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CC(C)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000344017963 354080911 /nfs/dbraw/zinc/08/09/11/354080911.db2.gz FFSKPCJKMXFYAB-UHFFFAOYSA-N 1 3 243.439 1.848 20 0 BDADHO CC(C)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344017963 354080915 /nfs/dbraw/zinc/08/09/15/354080915.db2.gz FFSKPCJKMXFYAB-UHFFFAOYSA-N 1 3 243.439 1.848 20 0 BDADHO C[C@H](F)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000344028052 354089893 /nfs/dbraw/zinc/08/98/93/354089893.db2.gz LZRPDHGUCSKNDJ-ZDUSSCGKSA-N 1 3 247.402 1.550 20 0 BDADHO C[C@H](F)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344028052 354089896 /nfs/dbraw/zinc/08/98/96/354089896.db2.gz LZRPDHGUCSKNDJ-ZDUSSCGKSA-N 1 3 247.402 1.550 20 0 BDADHO CN(C)CCN(C)CCC[N@H+](C)CC1CCC1 ZINC000344047150 354120905 /nfs/dbraw/zinc/12/09/05/354120905.db2.gz YNQRYVPSQUWUKZ-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO CN(C)CCN(C)CCC[N@@H+](C)CC1CCC1 ZINC000344047150 354120907 /nfs/dbraw/zinc/12/09/07/354120907.db2.gz YNQRYVPSQUWUKZ-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639170739 354125024 /nfs/dbraw/zinc/12/50/24/354125024.db2.gz WVGKUPNRZKHYHN-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639170741 354125302 /nfs/dbraw/zinc/12/53/02/354125302.db2.gz WVGKUPNRZKHYHN-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CCCC[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449686771 202001868 /nfs/dbraw/zinc/00/18/68/202001868.db2.gz YBLCGQASRBGSHC-VXGBXAGGSA-N 1 3 241.379 1.152 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000231676159 363347225 /nfs/dbraw/zinc/34/72/25/363347225.db2.gz UYSBWWFIRBDLDJ-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCN(CCC[NH+](C)C)C[C@@]1(OC)CCOC1 ZINC000639176560 354199763 /nfs/dbraw/zinc/19/97/63/354199763.db2.gz YMYWZHHVGYKMPU-ZDUSSCGKSA-N 1 3 244.379 1.066 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344331023 354227184 /nfs/dbraw/zinc/22/71/84/354227184.db2.gz ONQSEEWSNXMLDQ-WFASDCNBSA-N 1 3 249.402 1.321 20 0 BDADHO CN(C)c1ccncc1CNC[C@H]1CCC[N@@H+]1C ZINC000623634548 366202743 /nfs/dbraw/zinc/20/27/43/366202743.db2.gz KEXNZRIXKRHFOJ-CYBMUJFWSA-N 1 3 248.374 1.331 20 0 BDADHO CN(C)c1ccncc1CNC[C@H]1CCC[N@H+]1C ZINC000623634548 366202749 /nfs/dbraw/zinc/20/27/49/366202749.db2.gz KEXNZRIXKRHFOJ-CYBMUJFWSA-N 1 3 248.374 1.331 20 0 BDADHO CC1=CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000334803536 354559672 /nfs/dbraw/zinc/55/96/72/354559672.db2.gz GNSYKEGCMSBZED-CYBMUJFWSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)COCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000232680233 363378944 /nfs/dbraw/zinc/37/89/44/363378944.db2.gz ULLLLBHXCBDGJH-RYUDHWBXSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@H](CNC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000346000984 354837053 /nfs/dbraw/zinc/83/70/53/354837053.db2.gz BVRCKROUPYLCER-SNPRPXQTSA-N 1 3 248.370 1.350 20 0 BDADHO c1ccc2c(c1)CC[C@@H](NC1CC[NH2+]CC1)CO2 ZINC000335171227 354935263 /nfs/dbraw/zinc/93/52/63/354935263.db2.gz YJCFWXVQYQRRBZ-CQSZACIVSA-N 1 3 246.354 1.722 20 0 BDADHO c1ccc2c(c1)CC[C@@H]([NH2+]C1CCNCC1)CO2 ZINC000335171227 354935267 /nfs/dbraw/zinc/93/52/67/354935267.db2.gz YJCFWXVQYQRRBZ-CQSZACIVSA-N 1 3 246.354 1.722 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CNC1 ZINC000335220894 355061094 /nfs/dbraw/zinc/06/10/94/355061094.db2.gz VUOQNMODXBCXKN-XHDPSFHLSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@H](N[C@@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220894 355061096 /nfs/dbraw/zinc/06/10/96/355061096.db2.gz VUOQNMODXBCXKN-XHDPSFHLSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C1CNC1 ZINC000335220889 355061167 /nfs/dbraw/zinc/06/11/67/355061167.db2.gz VUOQNMODXBCXKN-ABAIWWIYSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@@H](N[C@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220889 355061169 /nfs/dbraw/zinc/06/11/69/355061169.db2.gz VUOQNMODXBCXKN-ABAIWWIYSA-N 1 3 230.355 1.741 20 0 BDADHO CCCCOCCNC1CC[NH+](CC)CC1 ZINC000040506011 358493854 /nfs/dbraw/zinc/49/38/54/358493854.db2.gz JUMALFYPLVIWHX-UHFFFAOYSA-N 1 3 228.380 1.877 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCCN2)c1 ZINC000335241836 355176649 /nfs/dbraw/zinc/17/66/49/355176649.db2.gz OKCLHIHRRFGHGV-CYBMUJFWSA-N 1 3 247.342 1.534 20 0 BDADHO CCC[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346988473 355189326 /nfs/dbraw/zinc/18/93/26/355189326.db2.gz RGKCPIQJFVCVKO-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO CSC1(C[NH+]2CCC(N(C)C)CC2)CC1 ZINC000347608788 355233675 /nfs/dbraw/zinc/23/36/75/355233675.db2.gz JYMQSSGIAKXQQI-UHFFFAOYSA-N 1 3 228.405 1.908 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2c(c1)COC2 ZINC000414792297 191569071 /nfs/dbraw/zinc/56/90/71/191569071.db2.gz CCCVVFGBYFONNQ-DOMZBBRYSA-N 1 3 246.354 1.934 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@H]1CCCNCC1 ZINC000261538933 535285478 /nfs/dbraw/zinc/28/54/78/535285478.db2.gz ZVZODYJYCKYJOZ-NWDGAFQWSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@](C)(O)CN[C@H]1CCC[NH2+]CC1 ZINC000261538933 535285482 /nfs/dbraw/zinc/28/54/82/535285482.db2.gz ZVZODYJYCKYJOZ-NWDGAFQWSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000166444193 355464012 /nfs/dbraw/zinc/46/40/12/355464012.db2.gz NGNASSOGARBSRM-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CNC[C@H](C)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414846183 191599286 /nfs/dbraw/zinc/59/92/86/191599286.db2.gz UGKZFXZEOXANAR-STQMWFEESA-N 1 3 242.407 1.884 20 0 BDADHO CC[NH+](CC)CCO[C@@H]1CCN(CCOC)C1 ZINC000350182134 355622174 /nfs/dbraw/zinc/62/21/74/355622174.db2.gz XEENISKLZNWXGC-CYBMUJFWSA-N 1 3 244.379 1.066 20 0 BDADHO CCC1(CN[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000261587995 535296293 /nfs/dbraw/zinc/29/62/93/535296293.db2.gz SCPLQBHOLVSXRX-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO CC[NH+]1CCC(NCCOCC2CC2)CC1 ZINC000167469533 356084578 /nfs/dbraw/zinc/08/45/78/356084578.db2.gz GQYQPAODJBWWDC-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO C(C[N@@H+]1CCC[C@H]1C1CCC1)N1CCNCC1 ZINC000420297485 192205056 /nfs/dbraw/zinc/20/50/56/192205056.db2.gz FYNYVPMCJJHUPD-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO C(C[N@H+]1CCC[C@H]1C1CCC1)N1CCNCC1 ZINC000420297485 192205059 /nfs/dbraw/zinc/20/50/59/192205059.db2.gz FYNYVPMCJJHUPD-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO C[NH2+]CCC1CCN(Cc2ccnc(N)c2)CC1 ZINC000420300029 192206289 /nfs/dbraw/zinc/20/62/89/192206289.db2.gz CBTWCZPPGVWQNP-UHFFFAOYSA-N 1 3 248.374 1.316 20 0 BDADHO C[C@]1(CN)CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420314799 192213293 /nfs/dbraw/zinc/21/32/93/192213293.db2.gz LLGPKOSZWHXOQP-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420314799 192213295 /nfs/dbraw/zinc/21/32/95/192213295.db2.gz LLGPKOSZWHXOQP-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO CCOCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361975 192223008 /nfs/dbraw/zinc/22/30/08/192223008.db2.gz HKYBUZAGRDDZPT-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CCC(C)(C)CC[N@H+](C)C[C@H](O)CN ZINC000420362670 192223732 /nfs/dbraw/zinc/22/37/32/192223732.db2.gz ZMPGBEMQSKLNHS-SNVBAGLBSA-N 1 3 202.342 1.064 20 0 BDADHO CCC(C)(C)CC[N@@H+](C)C[C@H](O)CN ZINC000420362670 192223733 /nfs/dbraw/zinc/22/37/33/192223733.db2.gz ZMPGBEMQSKLNHS-SNVBAGLBSA-N 1 3 202.342 1.064 20 0 BDADHO CCC(C)(C)CCN(C)C[C@H](O)C[NH3+] ZINC000420362670 192223736 /nfs/dbraw/zinc/22/37/36/192223736.db2.gz ZMPGBEMQSKLNHS-SNVBAGLBSA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)COCCN[C@H](C[NH3+])C(C)(C)C ZINC000420368703 192225676 /nfs/dbraw/zinc/22/56/76/192225676.db2.gz UMYXCYQAHMNRDW-LLVKDONJSA-N 1 3 216.369 1.622 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000420383703 192234962 /nfs/dbraw/zinc/23/49/62/192234962.db2.gz ZWBWSHZWZBUKBO-OUCADQQQSA-N 1 3 237.391 1.282 20 0 BDADHO C[C@H]1CCN(CCOCC2CC2)C[C@H]1C[NH3+] ZINC000420410742 192239783 /nfs/dbraw/zinc/23/97/83/192239783.db2.gz RHVMHCVFDWVIBM-WCQYABFASA-N 1 3 226.364 1.330 20 0 BDADHO c1c[nH]c([C@H]2CCCN2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420378404 192233602 /nfs/dbraw/zinc/23/36/02/192233602.db2.gz UBWANCZCPXKLTB-QWHCGFSZSA-N 1 3 248.374 1.936 20 0 BDADHO [NH3+]CCCNCc1cccc2c1CCCN2 ZINC000415042708 491092372 /nfs/dbraw/zinc/09/23/72/491092372.db2.gz VFVTYUJVDCIODK-UHFFFAOYSA-N 1 3 219.332 1.483 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420930884 192287657 /nfs/dbraw/zinc/28/76/57/192287657.db2.gz CTYRZQZBXVDJLP-ZIAGYGMSSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420930884 192287660 /nfs/dbraw/zinc/28/76/60/192287660.db2.gz CTYRZQZBXVDJLP-ZIAGYGMSSA-N 1 3 242.407 1.669 20 0 BDADHO CCCCN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405582275 491095808 /nfs/dbraw/zinc/09/58/08/491095808.db2.gz KJUAFICSCBZZCC-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO CCCC[N@@H+]1C[C@@H](CN)[C@H](OCC)C1 ZINC000405582275 491095810 /nfs/dbraw/zinc/09/58/10/491095810.db2.gz KJUAFICSCBZZCC-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO CCCC[N@H+]1C[C@@H](CN)[C@H](OCC)C1 ZINC000405582275 491095813 /nfs/dbraw/zinc/09/58/13/491095813.db2.gz KJUAFICSCBZZCC-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3c[nH]cn3)C2)CC1 ZINC000639758806 356669974 /nfs/dbraw/zinc/66/99/74/356669974.db2.gz WZYZAHWWKBKICC-UHFFFAOYSA-N 1 3 234.347 1.327 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cnc[nH]3)C2)CC1 ZINC000639758806 356669979 /nfs/dbraw/zinc/66/99/79/356669979.db2.gz WZYZAHWWKBKICC-UHFFFAOYSA-N 1 3 234.347 1.327 20 0 BDADHO CCSCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167667221 134153783 /nfs/dbraw/zinc/15/37/83/134153783.db2.gz GSDVLQOPYKUWTK-WDEREUQCSA-N 1 3 216.394 1.656 20 0 BDADHO CN(C)C(C)(C)C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623336829 356728553 /nfs/dbraw/zinc/72/85/53/356728553.db2.gz HQXJEUDXJRGNJT-GFCCVEGCSA-N 1 3 241.423 1.789 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335386 356716936 /nfs/dbraw/zinc/71/69/36/356716936.db2.gz KXDIYPHACVHTLS-QWRGUYRKSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335386 356716937 /nfs/dbraw/zinc/71/69/37/356716937.db2.gz KXDIYPHACVHTLS-QWRGUYRKSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cncn1C ZINC000353568422 538749088 /nfs/dbraw/zinc/74/90/88/538749088.db2.gz JACIKUCDJGBYSH-MDZLAQPJSA-N 1 3 236.363 1.238 20 0 BDADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccsc1 ZINC000423208309 192627896 /nfs/dbraw/zinc/62/78/96/192627896.db2.gz SUBVIARCEBCZMW-LLVKDONJSA-N 1 3 239.388 1.304 20 0 BDADHO CC(C)C[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000389822497 357045093 /nfs/dbraw/zinc/04/50/93/357045093.db2.gz QSEOACYSQGZKQG-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)C[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000389822498 357045313 /nfs/dbraw/zinc/04/53/13/357045313.db2.gz QSEOACYSQGZKQG-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO CC(F)(F)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000393596596 357288436 /nfs/dbraw/zinc/28/84/36/357288436.db2.gz AVRSPGXMJQZZDC-BDAKNGLRSA-N 1 3 206.280 1.891 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCC[C@@H]1O ZINC000393244032 357279562 /nfs/dbraw/zinc/27/95/62/357279562.db2.gz NJBCPXSWQWYFON-XQHKEYJVSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000393244032 357279564 /nfs/dbraw/zinc/27/95/64/357279564.db2.gz NJBCPXSWQWYFON-XQHKEYJVSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000393244032 357279566 /nfs/dbraw/zinc/27/95/66/357279566.db2.gz NJBCPXSWQWYFON-XQHKEYJVSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000582546434 357331546 /nfs/dbraw/zinc/33/15/46/357331546.db2.gz RNZGSPCIOTXDOX-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO COc1ncccc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000582735004 357376672 /nfs/dbraw/zinc/37/66/72/357376672.db2.gz ALJBGTCSRPZNKO-STQMWFEESA-N 1 3 249.358 1.492 20 0 BDADHO CC(C)([NH3+])CC(=O)NCc1ccc2c(c1)CNC2 ZINC000188723990 357565871 /nfs/dbraw/zinc/56/58/71/357565871.db2.gz IMAJUMCMUXBDRT-UHFFFAOYSA-N 1 3 247.342 1.033 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000361152635 538868052 /nfs/dbraw/zinc/86/80/52/538868052.db2.gz JZFIPTHVXPAWAR-RDBSUJKOSA-N 1 3 241.423 1.647 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1CCO ZINC000191479540 357773257 /nfs/dbraw/zinc/77/32/57/357773257.db2.gz KDRCWYYLZLTDBW-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1CCO ZINC000191479540 357773260 /nfs/dbraw/zinc/77/32/60/357773260.db2.gz KDRCWYYLZLTDBW-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCOCCN(C)C ZINC000235576314 357879926 /nfs/dbraw/zinc/87/99/26/357879926.db2.gz VECMBENHEHKVRI-QWHCGFSZSA-N 1 3 242.407 1.979 20 0 BDADHO CNC[C@@](C)(O)C[NH2+][C@H]1CCCC1(C)C ZINC000584415528 357915615 /nfs/dbraw/zinc/91/56/15/357915615.db2.gz MQBFWHJYEGGUBL-CMPLNLGQSA-N 1 3 214.353 1.125 20 0 BDADHO CNCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000035018061 357962908 /nfs/dbraw/zinc/96/29/08/357962908.db2.gz ATTXQFPTRRYJCN-UHFFFAOYSA-N 1 3 247.342 1.440 20 0 BDADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000584839344 358199147 /nfs/dbraw/zinc/19/91/47/358199147.db2.gz ZNTCIOZATMXVLJ-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000222911492 358216100 /nfs/dbraw/zinc/21/61/00/358216100.db2.gz DDQXVMQNKOILGM-MGPQQGTHSA-N 1 3 241.423 1.822 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H](C)COC)C1 ZINC000225713228 358331733 /nfs/dbraw/zinc/33/17/33/358331733.db2.gz VSUAQYXDVSQKOS-NEPJUHHUSA-N 1 3 214.353 1.200 20 0 BDADHO CCCN(CCN(C)C)C(=O)[C@](C)([NH3+])CCC ZINC000041680318 358334020 /nfs/dbraw/zinc/33/40/20/358334020.db2.gz JFMSULCPYBUTLN-CYBMUJFWSA-N 1 3 243.395 1.304 20 0 BDADHO [NH3+]C[C@@H]1CCCN1[C@H]1CCCSC1 ZINC000252689641 366410515 /nfs/dbraw/zinc/41/05/15/366410515.db2.gz RTPXFDFDEAEDNS-UWVGGRQHSA-N 1 3 200.351 1.305 20 0 BDADHO CC(C)(CCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000227905686 358365947 /nfs/dbraw/zinc/36/59/47/358365947.db2.gz KUBVSPNWFAVNAL-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000227914061 358366796 /nfs/dbraw/zinc/36/67/96/358366796.db2.gz DTQGYDIJPIEVTC-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000229215100 358367188 /nfs/dbraw/zinc/36/71/88/358367188.db2.gz OSPSHAKQNUQOSJ-NEPJUHHUSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CCCOC1 ZINC000044982056 358398587 /nfs/dbraw/zinc/39/85/87/358398587.db2.gz JKKMCGOAWBBARK-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CCCOC1 ZINC000044982056 358398592 /nfs/dbraw/zinc/39/85/92/358398592.db2.gz JKKMCGOAWBBARK-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCOC1 ZINC000044982056 358398594 /nfs/dbraw/zinc/39/85/94/358398594.db2.gz JKKMCGOAWBBARK-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO COC1CCC([NH2+]CCOCCN(C)C)CC1 ZINC000219320725 134281154 /nfs/dbraw/zinc/28/11/54/134281154.db2.gz OWPKETGHBZSLPM-UHFFFAOYSA-N 1 3 244.379 1.112 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1ccccn1 ZINC000219318987 134281571 /nfs/dbraw/zinc/28/15/71/134281571.db2.gz CAVHXVMMRRWFFZ-GFCCVEGCSA-N 1 3 237.347 1.310 20 0 BDADHO C[C@H](O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000131325991 358671496 /nfs/dbraw/zinc/67/14/96/358671496.db2.gz PPHOWPQNJJQMOL-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000131325991 358671500 /nfs/dbraw/zinc/67/15/00/358671500.db2.gz PPHOWPQNJJQMOL-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@@H](O)CNC1CC[NH+](CCC)CC1 ZINC000133558360 358758361 /nfs/dbraw/zinc/75/83/61/358758361.db2.gz XAXYPBANVQAAOK-CYBMUJFWSA-N 1 3 228.380 1.611 20 0 BDADHO CCOC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000050067243 358712479 /nfs/dbraw/zinc/71/24/79/358712479.db2.gz OTTYMMNISFCDDT-UHFFFAOYSA-N 1 3 242.363 1.357 20 0 BDADHO CCOC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000050067243 358712480 /nfs/dbraw/zinc/71/24/80/358712480.db2.gz OTTYMMNISFCDDT-UHFFFAOYSA-N 1 3 242.363 1.357 20 0 BDADHO Cn1nccc1CNCCC1CC[NH+](C)CC1 ZINC000135561605 358844613 /nfs/dbraw/zinc/84/46/13/358844613.db2.gz GHNOBNGWHBWTND-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO CC(C)CCOCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403848 358968321 /nfs/dbraw/zinc/96/83/21/358968321.db2.gz MDRPNNDBVAJWQO-CHWSQXEVSA-N 1 3 228.380 1.909 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000070316994 359049557 /nfs/dbraw/zinc/04/95/57/359049557.db2.gz GEQYZYDEGXPNQK-GFCCVEGCSA-N 1 3 243.395 1.160 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000069859068 359034964 /nfs/dbraw/zinc/03/49/64/359034964.db2.gz KIZBMCGXARNUJA-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CCOC(=O)CCCCC[N@@H+]1CC[C@@H](CN)C1 ZINC000071293365 359074690 /nfs/dbraw/zinc/07/46/90/359074690.db2.gz SYSGWOZQOXAWER-LBPRGKRZSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCCCC[N@H+]1CC[C@@H](CN)C1 ZINC000071293365 359074692 /nfs/dbraw/zinc/07/46/92/359074692.db2.gz SYSGWOZQOXAWER-LBPRGKRZSA-N 1 3 242.363 1.391 20 0 BDADHO CC[C@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000580423006 359536744 /nfs/dbraw/zinc/53/67/44/359536744.db2.gz BEGDCHBEMZMLMO-ZDUSSCGKSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](C)N(C)C[C@H](O)C[N@H+](C)CC ZINC000379540864 359540535 /nfs/dbraw/zinc/54/05/35/359540535.db2.gz PHPGTKSGXMCGDJ-WDEREUQCSA-N 1 3 202.342 1.029 20 0 BDADHO CC[C@H](C)N(C)C[C@H](O)C[N@@H+](C)CC ZINC000379540864 359540537 /nfs/dbraw/zinc/54/05/37/359540537.db2.gz PHPGTKSGXMCGDJ-WDEREUQCSA-N 1 3 202.342 1.029 20 0 BDADHO CC[C@H](C)N(C)C[C@@H](O)C[N@H+](C)CC ZINC000379540863 359540631 /nfs/dbraw/zinc/54/06/31/359540631.db2.gz PHPGTKSGXMCGDJ-QWRGUYRKSA-N 1 3 202.342 1.029 20 0 BDADHO CC[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)CC ZINC000379540863 359540635 /nfs/dbraw/zinc/54/06/35/359540635.db2.gz PHPGTKSGXMCGDJ-QWRGUYRKSA-N 1 3 202.342 1.029 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000580434603 359546048 /nfs/dbraw/zinc/54/60/48/359546048.db2.gz BWSVEDVLSFJGMX-SDDRHHMPSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000580434603 359546052 /nfs/dbraw/zinc/54/60/52/359546052.db2.gz BWSVEDVLSFJGMX-SDDRHHMPSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000580434603 359546055 /nfs/dbraw/zinc/54/60/55/359546055.db2.gz BWSVEDVLSFJGMX-SDDRHHMPSA-N 1 3 214.353 1.077 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000089144639 359992735 /nfs/dbraw/zinc/99/27/35/359992735.db2.gz IKKDIRBXLOCUNF-UONOGXRCSA-N 1 3 233.359 1.731 20 0 BDADHO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)n1 ZINC000090721473 360085669 /nfs/dbraw/zinc/08/56/69/360085669.db2.gz HIGJHFSPJYXSPD-NEPJUHHUSA-N 1 3 249.358 1.668 20 0 BDADHO Cc1n[nH]cc1CN(C)CC1CC[NH+](C)CC1 ZINC000093089358 360216717 /nfs/dbraw/zinc/21/67/17/360216717.db2.gz WLUGMNDECJBRNH-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000629388727 361035115 /nfs/dbraw/zinc/03/51/15/361035115.db2.gz PFRRPFYLMRLMFJ-SCUASFONSA-N 1 3 237.391 1.199 20 0 BDADHO NC1(C[NH2+]C/C=C\c2ccccc2)CCOCC1 ZINC000629388356 361041236 /nfs/dbraw/zinc/04/12/36/361041236.db2.gz SYWKNHOIMRVQEM-DAXSKMNVSA-N 1 3 246.354 1.797 20 0 BDADHO [NH3+]CCCOCCNCc1cccc(F)c1 ZINC000629398280 361049191 /nfs/dbraw/zinc/04/91/91/361049191.db2.gz QGSIPSGSLQEQNY-UHFFFAOYSA-N 1 3 226.295 1.281 20 0 BDADHO C[C@@H](CC1CCOCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409402 361057834 /nfs/dbraw/zinc/05/78/34/361057834.db2.gz APKZKOBJJKULRD-MBNYWOFBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CN1C1CC1 ZINC000629411961 361060800 /nfs/dbraw/zinc/06/08/00/361060800.db2.gz JEIWQKPBBJEQSF-FVCCEPFGSA-N 1 3 237.391 1.342 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](N)CC(C)C)c1 ZINC000424238397 200894399 /nfs/dbraw/zinc/89/43/99/200894399.db2.gz KYQIEDSPQZSBDK-ZDUSSCGKSA-N 1 3 249.358 1.766 20 0 BDADHO CCO[C@H](CN1CCC[C@@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000629515066 361112857 /nfs/dbraw/zinc/11/28/57/361112857.db2.gz QKDRQETZUXQDMU-KWCYVHTRSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000629517337 361114230 /nfs/dbraw/zinc/11/42/30/361114230.db2.gz LVIWMYIIYNHARK-UPJWGTAASA-N 1 3 238.375 1.818 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cncs1 ZINC000629528678 361137199 /nfs/dbraw/zinc/13/71/99/361137199.db2.gz GMRXIHPQMQFADV-VIFPVBQESA-N 1 3 229.349 1.030 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(C)cc1 ZINC000629529184 361138161 /nfs/dbraw/zinc/13/81/61/361138161.db2.gz UQZXBQMPAIKFJY-ZDUSSCGKSA-N 1 3 236.359 1.882 20 0 BDADHO CSC1(CN(C)CCC[NH+](C)C)CC1 ZINC000579163938 366726311 /nfs/dbraw/zinc/72/63/11/366726311.db2.gz WHKNOLQVLACXMM-UHFFFAOYSA-N 1 3 216.394 1.766 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H](F)C1)[C@@H]1CC[NH2+]C1 ZINC000579232640 366728553 /nfs/dbraw/zinc/72/85/53/366728553.db2.gz RWEPQHSMMJOCPR-WHOHXGKFSA-N 1 3 214.328 1.855 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]CC[C@H](C)N)CCO1 ZINC000622045148 370678866 /nfs/dbraw/zinc/67/88/66/370678866.db2.gz DCGZYSXKMWIVIO-TUAOUCFPSA-N 1 3 214.353 1.517 20 0 BDADHO CC[C@@H]([NH2+]CC[C@H](C)N)[C@H]1CCOC1 ZINC000622045340 370679452 /nfs/dbraw/zinc/67/94/52/370679452.db2.gz OAPWUWNMDFTJSG-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](Cc1ccccc1F)NCCC[NH3+] ZINC000162531012 361354093 /nfs/dbraw/zinc/35/40/93/361354093.db2.gz NOJANMMSRRDBSI-SNVBAGLBSA-N 1 3 210.296 1.695 20 0 BDADHO C[C@H](Cc1ccccc1F)[NH2+]CCCN ZINC000162531012 361354096 /nfs/dbraw/zinc/35/40/96/361354096.db2.gz NOJANMMSRRDBSI-SNVBAGLBSA-N 1 3 210.296 1.695 20 0 BDADHO CC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)N(CC)CC ZINC000429166721 201075558 /nfs/dbraw/zinc/07/55/58/201075558.db2.gz WZYSQKRIGFEYNR-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CCN(CC)CCC[N@H+](C)C1(CO)CCC1 ZINC000429263176 201085239 /nfs/dbraw/zinc/08/52/39/201085239.db2.gz IQYVKJOQJYTEDN-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C1(CO)CCC1 ZINC000429263176 201085241 /nfs/dbraw/zinc/08/52/41/201085241.db2.gz IQYVKJOQJYTEDN-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429387060 201105730 /nfs/dbraw/zinc/10/57/30/201105730.db2.gz YJPTWDSFHYTXFI-YPMHNXCESA-N 1 3 241.379 1.010 20 0 BDADHO NC1(C[NH2+]CCOc2ccc(F)cc2)CCC1 ZINC000342141400 181333114 /nfs/dbraw/zinc/33/31/14/181333114.db2.gz POIKMOSOKZVXOQ-UHFFFAOYSA-N 1 3 238.306 1.676 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccccc1CO ZINC000579461591 366813219 /nfs/dbraw/zinc/81/32/19/366813219.db2.gz JZVYAGKVRPMLGK-IUODEOHRSA-N 1 3 248.370 1.786 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@@H](C)[C@H](CN)C1)C1CC1 ZINC000629540893 361415793 /nfs/dbraw/zinc/41/57/93/361415793.db2.gz YFQZLUSFPQCJNE-MRVWCRGKSA-N 1 3 240.391 1.718 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@@H](C)[C@H](CN)C1)C1CC1 ZINC000629540893 361415799 /nfs/dbraw/zinc/41/57/99/361415799.db2.gz YFQZLUSFPQCJNE-MRVWCRGKSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@H]1CCCCN1 ZINC000629545829 361427082 /nfs/dbraw/zinc/42/70/82/361427082.db2.gz CTINFGMDYXOXRH-SCUASFONSA-N 1 3 238.375 1.674 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629547436 361430213 /nfs/dbraw/zinc/43/02/13/361430213.db2.gz JTXZTLGODVXXIV-RFQIPJPRSA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629547436 361430218 /nfs/dbraw/zinc/43/02/18/361430218.db2.gz JTXZTLGODVXXIV-RFQIPJPRSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)[C@@H]1C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000629579789 361465676 /nfs/dbraw/zinc/46/56/76/361465676.db2.gz ICGQDUUSQZFOED-FRRDWIJNSA-N 1 3 226.364 1.077 20 0 BDADHO C[C@@H]([NH3+])CN1CCCc2cccc(CN)c21 ZINC000629561143 361455990 /nfs/dbraw/zinc/45/59/90/361455990.db2.gz QZZJEYAXWXCSNU-SNVBAGLBSA-N 1 3 219.332 1.245 20 0 BDADHO C[C@H]([NH3+])CN1CCCc2cccc(CN)c21 ZINC000629561142 361456226 /nfs/dbraw/zinc/45/62/26/361456226.db2.gz QZZJEYAXWXCSNU-JTQLQIEISA-N 1 3 219.332 1.245 20 0 BDADHO C[C@@H]1C[C@H](C)N(Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648048 361538758 /nfs/dbraw/zinc/53/87/58/361538758.db2.gz FUJGJEJVFDBJBB-DYEKYZERSA-N 1 3 235.375 1.830 20 0 BDADHO C[C@@H]1CCN(CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648567 361540961 /nfs/dbraw/zinc/54/09/61/361540961.db2.gz RBHWPXBGKKKSGC-DGCLKSJQSA-N 1 3 224.348 1.250 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC3=CCCOC3)C[C@H]21 ZINC000629646705 361532546 /nfs/dbraw/zinc/53/25/46/361532546.db2.gz CHBGIHXVFWPJEL-MGPQQGTHSA-N 1 3 236.359 1.392 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651424 361555812 /nfs/dbraw/zinc/55/58/12/361555812.db2.gz FXCAHQFNJNHWNY-WCQYABFASA-N 1 3 224.348 1.535 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651424 361555816 /nfs/dbraw/zinc/55/58/16/361555816.db2.gz FXCAHQFNJNHWNY-WCQYABFASA-N 1 3 224.348 1.535 20 0 BDADHO CN(CCOCC[NH3+])Cc1cccc2c1CCC2 ZINC000629665716 361587527 /nfs/dbraw/zinc/58/75/27/361587527.db2.gz OIRLFQJWSHHOBY-UHFFFAOYSA-N 1 3 248.370 1.582 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CCSC1)C2 ZINC000629669853 361589411 /nfs/dbraw/zinc/58/94/11/361589411.db2.gz YHRSPDAFQPYQLX-RWMBFGLXSA-N 1 3 240.416 1.671 20 0 BDADHO COC[C@@H]1CCCCN1CC[C@H]1CCC[N@@H+]1C ZINC000448555564 201261432 /nfs/dbraw/zinc/26/14/32/201261432.db2.gz MQKNAONRSGPCRY-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO COC[C@@H]1CCCCN1CC[C@H]1CCC[N@H+]1C ZINC000448555564 201261435 /nfs/dbraw/zinc/26/14/35/201261435.db2.gz MQKNAONRSGPCRY-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH2+]CCCN1CCC[C@@]2(CCCOC2)C1 ZINC000435877768 201293213 /nfs/dbraw/zinc/29/32/13/201293213.db2.gz UXDHUSAJOQDFDB-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000435877768 201293217 /nfs/dbraw/zinc/29/32/17/201293217.db2.gz UXDHUSAJOQDFDB-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CNCCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000435877768 201293219 /nfs/dbraw/zinc/29/32/19/201293219.db2.gz UXDHUSAJOQDFDB-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000155757954 201351543 /nfs/dbraw/zinc/35/15/43/201351543.db2.gz WSXZCYPCPYIJKV-STQMWFEESA-N 1 3 227.396 1.256 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN)C[C@@H]1C ZINC000437805158 201375695 /nfs/dbraw/zinc/37/56/95/201375695.db2.gz WPMVPJFGQRFIOX-QJPTWQEYSA-N 1 3 242.363 1.293 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438090054 201388116 /nfs/dbraw/zinc/38/81/16/201388116.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438090054 201388119 /nfs/dbraw/zinc/38/81/19/201388119.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCOC2)C1 ZINC000438090054 201388122 /nfs/dbraw/zinc/38/81/22/201388122.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCOC2)C1 ZINC000438090054 201388124 /nfs/dbraw/zinc/38/81/24/201388124.db2.gz ACUGZUOHKYGAMX-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO [NH3+]CC1CCC(N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000333292335 181363734 /nfs/dbraw/zinc/36/37/34/181363734.db2.gz OVGCHMCCHOXFIA-GDKBPFBDSA-N 1 3 248.374 1.894 20 0 BDADHO [NH3+]CC1CCC(N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000333292336 181363764 /nfs/dbraw/zinc/36/37/64/181363764.db2.gz OVGCHMCCHOXFIA-KGPNIALWSA-N 1 3 248.374 1.894 20 0 BDADHO [NH3+]CC1CCN(Cc2ccc(O)cc2)CC1 ZINC000044511872 181365816 /nfs/dbraw/zinc/36/58/16/181365816.db2.gz JBVPOJMVKFCYSU-UHFFFAOYSA-N 1 3 220.316 1.563 20 0 BDADHO CSCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250957141 364692925 /nfs/dbraw/zinc/69/29/25/364692925.db2.gz SIMPFOVIOYIVMQ-IJLUTSLNSA-N 1 3 228.405 1.860 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000580514360 364777691 /nfs/dbraw/zinc/77/76/91/364777691.db2.gz NPXYLMYZZFUHDW-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO COC[C@@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000580514360 364777694 /nfs/dbraw/zinc/77/76/94/364777694.db2.gz NPXYLMYZZFUHDW-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](NCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000573593287 364869950 /nfs/dbraw/zinc/86/99/50/364869950.db2.gz RUDNZOCSFBYSMT-GFCCVEGCSA-N 1 3 236.363 1.460 20 0 BDADHO N[C@@H]1CCCc2cn(CCC3CC[NH2+]CC3)nc21 ZINC000573833873 364926507 /nfs/dbraw/zinc/92/65/07/364926507.db2.gz HMMLAAUEBJBQAM-CYBMUJFWSA-N 1 3 248.374 1.609 20 0 BDADHO CC1=CCN(CCN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000574339291 365041228 /nfs/dbraw/zinc/04/12/28/365041228.db2.gz OWCNBUKDWVTJKC-ZIAGYGMSSA-N 1 3 237.391 1.498 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000444154001 193038090 /nfs/dbraw/zinc/03/80/90/193038090.db2.gz BEYNWXSZNMCIAC-GFCCVEGCSA-N 1 3 233.315 1.097 20 0 BDADHO C[C@@H]1OCCN(CC[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000380534397 367231521 /nfs/dbraw/zinc/23/15/21/367231521.db2.gz MXDOHBTWURBMOE-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cn1 ZINC000581185352 367287398 /nfs/dbraw/zinc/28/73/98/367287398.db2.gz XCKJZDMSOQYMGU-UONOGXRCSA-N 1 3 233.359 1.650 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000195558596 367369088 /nfs/dbraw/zinc/36/90/88/367369088.db2.gz JAJJHFKDIIARNX-HTOAHKCRSA-N 1 3 238.375 1.242 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000195558596 367369094 /nfs/dbraw/zinc/36/90/94/367369094.db2.gz JAJJHFKDIIARNX-HTOAHKCRSA-N 1 3 238.375 1.242 20 0 BDADHO COC[C@H](C)C[NH2+]CCCNC1CC1 ZINC000382550774 367532324 /nfs/dbraw/zinc/53/23/24/367532324.db2.gz UIQRMKMZLGXMMT-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO C(CNC1CC1)C[NH2+][C@H]1CCCSC1 ZINC000382549722 367537416 /nfs/dbraw/zinc/53/74/16/367537416.db2.gz DHNAZLOFDKHXED-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO C(CN[C@H]1CCCSC1)C[NH2+]C1CC1 ZINC000382549722 367537420 /nfs/dbraw/zinc/53/74/20/367537420.db2.gz DHNAZLOFDKHXED-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000383402481 367619199 /nfs/dbraw/zinc/61/91/99/367619199.db2.gz PDYUPKCQRXAKHO-CRWXNKLISA-N 1 3 240.391 1.502 20 0 BDADHO C[C@H](CC(C)(C)C)[NH2+]CCOCCN(C)C ZINC000384519297 367696355 /nfs/dbraw/zinc/69/63/55/367696355.db2.gz ATDMEBYMJRXYQK-GFCCVEGCSA-N 1 3 230.396 1.979 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H]1CN ZINC000384847701 367743106 /nfs/dbraw/zinc/74/31/06/367743106.db2.gz KHENTKWUDUGODV-OUAUKWLOSA-N 1 3 214.353 1.253 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384854452 367744233 /nfs/dbraw/zinc/74/42/33/367744233.db2.gz GHICESIPIPCZDA-YNEHKIRRSA-N 1 3 228.380 1.874 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCSCC[C@@H]1C ZINC000385409387 367826396 /nfs/dbraw/zinc/82/63/96/367826396.db2.gz SWXFYMYJPRANSO-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCSCC[C@@H]1C ZINC000385409387 367826401 /nfs/dbraw/zinc/82/64/01/367826401.db2.gz SWXFYMYJPRANSO-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@@H]([NH2+]CCc1ccn(C)n1)[C@H]1CCCCN1 ZINC000386066352 367908632 /nfs/dbraw/zinc/90/86/32/367908632.db2.gz YMOWEYIYSVJPSJ-DGCLKSJQSA-N 1 3 236.363 1.083 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)N(C)C ZINC000386574149 367993469 /nfs/dbraw/zinc/99/34/69/367993469.db2.gz MPWSUOVKIHZFRU-WOPDTQHZSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@H]([NH2+]CCOCC(F)F)[C@H]1CCCCN1 ZINC000386586036 367997046 /nfs/dbraw/zinc/99/70/46/367997046.db2.gz PZCMJGMEUQLDAQ-VHSXEESVSA-N 1 3 236.306 1.388 20 0 BDADHO C[C@H](CO)CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386592535 367999016 /nfs/dbraw/zinc/99/90/16/367999016.db2.gz RTIQGVUEINFNPF-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NC[C@H]1CCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000386430092 367969641 /nfs/dbraw/zinc/96/96/41/367969641.db2.gz LFZCXGQSDWFIDM-XQQFMLRXSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](NC[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386509776 367983415 /nfs/dbraw/zinc/98/34/15/367983415.db2.gz WYYTUBNNADSIGZ-DGAVXFQQSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)COCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086402409 368879632 /nfs/dbraw/zinc/87/96/32/368879632.db2.gz WLONOFSUKCPRSY-OLZOCXBDSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2nccs2)C1 ZINC000086404123 368880329 /nfs/dbraw/zinc/88/03/29/368880329.db2.gz MNWLDOWCVVUMAQ-UWVGGRQHSA-N 1 3 225.361 1.545 20 0 BDADHO CSCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086404303 368881436 /nfs/dbraw/zinc/88/14/36/368881436.db2.gz FFCQHCKSBDOJED-VHSXEESVSA-N 1 3 202.367 1.599 20 0 BDADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C)C2)n(C)n1 ZINC000089183519 368938835 /nfs/dbraw/zinc/93/88/35/368938835.db2.gz HYCOHVFTEFDLTH-GFCCVEGCSA-N 1 3 236.363 1.160 20 0 BDADHO COC[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623656965 368997421 /nfs/dbraw/zinc/99/74/21/368997421.db2.gz GZCQFSISQPKPLW-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656965 368997426 /nfs/dbraw/zinc/99/74/26/368997426.db2.gz GZCQFSISQPKPLW-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830133 369007263 /nfs/dbraw/zinc/00/72/63/369007263.db2.gz KUCAIUNIYUAUTO-XDQVBPFNSA-N 1 3 238.375 1.343 20 0 BDADHO Nc1cccc(C[N@H+]2CCCCC[C@H](N)C2)c1 ZINC000631835763 369048544 /nfs/dbraw/zinc/04/85/44/369048544.db2.gz XDYRQBCDVMBTTL-AWEZNQCLSA-N 1 3 233.359 1.972 20 0 BDADHO Nc1cccc(C[N@@H+]2CCCCC[C@H](N)C2)c1 ZINC000631835763 369048547 /nfs/dbraw/zinc/04/85/47/369048547.db2.gz XDYRQBCDVMBTTL-AWEZNQCLSA-N 1 3 233.359 1.972 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000155246347 326189966 /nfs/dbraw/zinc/18/99/66/326189966.db2.gz ZMMVEMSHDVWMIW-WOPDTQHZSA-N 1 3 243.395 1.192 20 0 BDADHO COC(=O)CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404397471 369427975 /nfs/dbraw/zinc/42/79/75/369427975.db2.gz PKUFRTQSBVFXPM-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404397471 369427977 /nfs/dbraw/zinc/42/79/77/369427977.db2.gz PKUFRTQSBVFXPM-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000567893747 326278286 /nfs/dbraw/zinc/27/82/86/326278286.db2.gz TVBGNXKSBMZZJH-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO CC(C)C[C@H](C)CN1CCC([NH2+]CCO)CC1 ZINC000631862746 369583946 /nfs/dbraw/zinc/58/39/46/369583946.db2.gz MYKNNNYSECCMJB-ZDUSSCGKSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1NCCCC1(C)C ZINC000567925222 326284268 /nfs/dbraw/zinc/28/42/68/326284268.db2.gz GFUPKAUBUADJBY-DCAQKATOSA-N 1 3 241.379 1.007 20 0 BDADHO CCn1nccc1CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000621774927 370521431 /nfs/dbraw/zinc/52/14/31/370521431.db2.gz AKXITLUIAXCIIR-NWDGAFQWSA-N 1 3 236.363 1.115 20 0 BDADHO CCn1cc(CCN[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000621776232 370524684 /nfs/dbraw/zinc/52/46/84/370524684.db2.gz GNYYLEQPOXYRRS-CHWSQXEVSA-N 1 3 236.363 1.305 20 0 BDADHO CCn1nccc1CCN[C@@H](C[NH3+])C(C)(C)C ZINC000621776743 370526141 /nfs/dbraw/zinc/52/61/41/370526141.db2.gz VCGABAKZYOWMOG-LBPRGKRZSA-N 1 3 238.379 1.409 20 0 BDADHO CN(C)c1ccncc1CNC[C@@H]1CCC[N@@H+]1C ZINC000623785791 371092782 /nfs/dbraw/zinc/09/27/82/371092782.db2.gz KEXNZRIXKRHFOJ-ZDUSSCGKSA-N 1 3 248.374 1.331 20 0 BDADHO CN(C)c1ccncc1CNC[C@@H]1CCC[N@H+]1C ZINC000623785791 371092787 /nfs/dbraw/zinc/09/27/87/371092787.db2.gz KEXNZRIXKRHFOJ-ZDUSSCGKSA-N 1 3 248.374 1.331 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCF ZINC000569093428 326389304 /nfs/dbraw/zinc/38/93/04/326389304.db2.gz VIPYLJCLGTWEBZ-AAEUAGOBSA-N 1 3 224.323 1.894 20 0 BDADHO C[C@H](C[NH2+]CC1(O)CCC1)CN1CCCC1 ZINC000568991040 326385182 /nfs/dbraw/zinc/38/51/82/326385182.db2.gz IGMOLDRQDWHFLS-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@H](CNCC1(O)CCC1)C[NH+]1CCCC1 ZINC000568991040 326385184 /nfs/dbraw/zinc/38/51/84/326385184.db2.gz IGMOLDRQDWHFLS-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H]1CCCCO1)C[NH+](C)C ZINC000623988045 371220984 /nfs/dbraw/zinc/22/09/84/371220984.db2.gz XQSUCWFQJIASAI-AGIUHOORSA-N 1 3 228.380 1.731 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCCOC2)C1 ZINC000624120634 371321519 /nfs/dbraw/zinc/32/15/19/371321519.db2.gz CYLSHPRAOFKQFR-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCCOC2)C1 ZINC000624120634 371321523 /nfs/dbraw/zinc/32/15/23/371321523.db2.gz CYLSHPRAOFKQFR-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C(C)C ZINC000624121029 371321681 /nfs/dbraw/zinc/32/16/81/371321681.db2.gz MCFQJCHQSUYFLK-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCO1 ZINC000624122409 371322805 /nfs/dbraw/zinc/32/28/05/371322805.db2.gz QQXBFASUGHHXRZ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000624122409 371322807 /nfs/dbraw/zinc/32/28/07/371322807.db2.gz QQXBFASUGHHXRZ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122901 371324849 /nfs/dbraw/zinc/32/48/49/371324849.db2.gz AVLLPKVRGDJPOX-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000624268882 371451759 /nfs/dbraw/zinc/45/17/59/371451759.db2.gz JOZOLLDQHBAEDZ-MELADBBJSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000624268882 371451764 /nfs/dbraw/zinc/45/17/64/371451764.db2.gz JOZOLLDQHBAEDZ-MELADBBJSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@@H]2CCCN2C)[C@@H](C)C1 ZINC000624268882 371451772 /nfs/dbraw/zinc/45/17/72/371451772.db2.gz JOZOLLDQHBAEDZ-MELADBBJSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823867 372602011 /nfs/dbraw/zinc/60/20/11/372602011.db2.gz PMOQNGJMNMKDAO-YNEHKIRRSA-N 1 3 224.348 1.097 20 0 BDADHO C([C@H]1CCCCO1)[N@H+](C1CC1)C1CCNCC1 ZINC000631820779 372593410 /nfs/dbraw/zinc/59/34/10/372593410.db2.gz FWMSZRLIXCGLQU-CQSZACIVSA-N 1 3 238.375 1.772 20 0 BDADHO C([C@H]1CCCCO1)[N@@H+](C1CC1)C1CCNCC1 ZINC000631820779 372593413 /nfs/dbraw/zinc/59/34/13/372593413.db2.gz FWMSZRLIXCGLQU-CQSZACIVSA-N 1 3 238.375 1.772 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821373 372595002 /nfs/dbraw/zinc/59/50/02/372595002.db2.gz WJROGGZVZZHCAB-AVGNSLFASA-N 1 3 226.364 1.343 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821373 372595005 /nfs/dbraw/zinc/59/50/05/372595005.db2.gz WJROGGZVZZHCAB-AVGNSLFASA-N 1 3 226.364 1.343 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCO[C@H]2C)C1 ZINC000631821373 372595008 /nfs/dbraw/zinc/59/50/08/372595008.db2.gz WJROGGZVZZHCAB-AVGNSLFASA-N 1 3 226.364 1.343 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829636 372611213 /nfs/dbraw/zinc/61/12/13/372611213.db2.gz WNSIVSKVZWOFPN-CRWXNKLISA-N 1 3 238.375 1.472 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829636 372611219 /nfs/dbraw/zinc/61/12/19/372611219.db2.gz WNSIVSKVZWOFPN-CRWXNKLISA-N 1 3 238.375 1.472 20 0 BDADHO C[C@@H]1C[N@H+](CCCCCF)C[C@H]1CN ZINC000631838482 372631986 /nfs/dbraw/zinc/63/19/86/372631986.db2.gz PFPMQWALAUBUAM-GHMZBOCLSA-N 1 3 202.317 1.653 20 0 BDADHO C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1CN ZINC000631838482 372631988 /nfs/dbraw/zinc/63/19/88/372631988.db2.gz PFPMQWALAUBUAM-GHMZBOCLSA-N 1 3 202.317 1.653 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1CN ZINC000631838635 372633868 /nfs/dbraw/zinc/63/38/68/372633868.db2.gz RXFUTSRGOYQZLY-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@H]1CN ZINC000631838635 372633873 /nfs/dbraw/zinc/63/38/73/372633873.db2.gz RXFUTSRGOYQZLY-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1nccnc1CN1CCC[C@H](CC[NH3+])C1 ZINC000631825293 372604359 /nfs/dbraw/zinc/60/43/59/372604359.db2.gz DXZDDGYUMBIBEZ-GFCCVEGCSA-N 1 3 234.347 1.346 20 0 BDADHO FC(F)[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000631866180 372666958 /nfs/dbraw/zinc/66/69/58/372666958.db2.gz UWQPDUWVMNFGTL-QWRGUYRKSA-N 1 3 248.317 1.342 20 0 BDADHO FCCCCC[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867315 372669867 /nfs/dbraw/zinc/66/98/67/372669867.db2.gz PREXJJREZWEGIC-NEPJUHHUSA-N 1 3 214.328 1.858 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631887271 372682186 /nfs/dbraw/zinc/68/21/86/372682186.db2.gz PQJOQTVNIPVNKE-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000631887271 372682192 /nfs/dbraw/zinc/68/21/92/372682192.db2.gz PQJOQTVNIPVNKE-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO Cc1ccc(F)cc1CN[C@@H](C)CC[NH3+] ZINC000220518651 134309800 /nfs/dbraw/zinc/30/98/00/134309800.db2.gz YVUMIZVXXJVPGK-JTQLQIEISA-N 1 3 210.296 1.961 20 0 BDADHO CCCC[C@H](N)C(=O)NCCC[NH+](CC)CC ZINC000037619242 169006826 /nfs/dbraw/zinc/00/68/26/169006826.db2.gz NUSZFQFIQNNCER-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680186 169006927 /nfs/dbraw/zinc/00/69/27/169006927.db2.gz JYERMPZODSGSJB-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356792030 169073478 /nfs/dbraw/zinc/07/34/78/169073478.db2.gz VWQGGAKKASEBHF-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356792030 169073480 /nfs/dbraw/zinc/07/34/80/169073480.db2.gz VWQGGAKKASEBHF-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CCCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360621797 169086735 /nfs/dbraw/zinc/08/67/35/169086735.db2.gz RDTVIDSUUHNCMW-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000360621797 169086737 /nfs/dbraw/zinc/08/67/37/169086737.db2.gz RDTVIDSUUHNCMW-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCC[N@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000360621797 169086739 /nfs/dbraw/zinc/08/67/39/169086739.db2.gz RDTVIDSUUHNCMW-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCC[N@@H+](C)[C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000360621797 169086740 /nfs/dbraw/zinc/08/67/40/169086740.db2.gz RDTVIDSUUHNCMW-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000226407717 169120881 /nfs/dbraw/zinc/12/08/81/169120881.db2.gz CMYCJHVSJLNNTL-RYUDHWBXSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000226407717 169120882 /nfs/dbraw/zinc/12/08/82/169120882.db2.gz CMYCJHVSJLNNTL-RYUDHWBXSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@H+](CCOC)C1CCNCC1 ZINC000037653866 169169335 /nfs/dbraw/zinc/16/93/35/169169335.db2.gz UBJLSTZPRDLKIF-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CCC[N@@H+](CCOC)C1CCNCC1 ZINC000037653866 169169337 /nfs/dbraw/zinc/16/93/37/169169337.db2.gz UBJLSTZPRDLKIF-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CCCN(CCOC)C1CC[NH2+]CC1 ZINC000037653866 169169339 /nfs/dbraw/zinc/16/93/39/169169339.db2.gz UBJLSTZPRDLKIF-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](N)CC)CC1 ZINC000038100782 169187511 /nfs/dbraw/zinc/18/75/11/169187511.db2.gz KHEAJRFUUMAUPJ-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO c1c[nH]c([C@H]2CCCN2CC2CC[NH2+]CC2)n1 ZINC000336285707 183328212 /nfs/dbraw/zinc/32/82/12/183328212.db2.gz WSJNSFGDJPHRRV-GFCCVEGCSA-N 1 3 234.347 1.546 20 0 BDADHO CCCN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062910949 169202469 /nfs/dbraw/zinc/20/24/69/169202469.db2.gz IETACENYTHJYOT-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO c1cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000250197610 183337586 /nfs/dbraw/zinc/33/75/86/183337586.db2.gz ZBIOELPCFAJBEO-GJZGRUSLSA-N 1 3 245.370 1.841 20 0 BDADHO c1cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000250197610 183337589 /nfs/dbraw/zinc/33/75/89/183337589.db2.gz ZBIOELPCFAJBEO-GJZGRUSLSA-N 1 3 245.370 1.841 20 0 BDADHO c1cc(CCNC2CC[NH2+]CC2)cs1 ZINC000042600208 183338113 /nfs/dbraw/zinc/33/81/13/183338113.db2.gz RBMCDYAELXWGAV-UHFFFAOYSA-N 1 3 210.346 1.632 20 0 BDADHO c1cc(CC[NH2+]C2CCNCC2)cs1 ZINC000042600208 183338116 /nfs/dbraw/zinc/33/81/16/183338116.db2.gz RBMCDYAELXWGAV-UHFFFAOYSA-N 1 3 210.346 1.632 20 0 BDADHO c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000250248401 183395091 /nfs/dbraw/zinc/39/50/91/183395091.db2.gz NHUGJRHRYWUHQN-CABCVRRESA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000250248401 183395093 /nfs/dbraw/zinc/39/50/93/183395093.db2.gz NHUGJRHRYWUHQN-CABCVRRESA-N 1 3 245.370 1.841 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000236945529 169389705 /nfs/dbraw/zinc/38/97/05/169389705.db2.gz AXOMRLMSFKEHPZ-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000236945529 169389706 /nfs/dbraw/zinc/38/97/06/169389706.db2.gz AXOMRLMSFKEHPZ-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000131646182 169392173 /nfs/dbraw/zinc/39/21/73/169392173.db2.gz QXKFWFFSDIOYKK-CYBMUJFWSA-N 1 3 249.358 1.862 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000224375024 134346454 /nfs/dbraw/zinc/34/64/54/134346454.db2.gz JZLDMBDUKQMWSO-PQAZSJQKSA-N 1 3 238.375 1.770 20 0 BDADHO COc1cc([C@@H](C)[NH2+]CCCN(C)C)ccn1 ZINC000558182744 383826996 /nfs/dbraw/zinc/82/69/96/383826996.db2.gz WCVKUGKYMYARKF-LLVKDONJSA-N 1 3 237.347 1.693 20 0 BDADHO CO[C@@H](CNC[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177320 383825344 /nfs/dbraw/zinc/82/53/44/383825344.db2.gz PRDQSMFVPOPECY-OCCSQVGLSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@@H](CNC[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177320 383825348 /nfs/dbraw/zinc/82/53/48/383825348.db2.gz PRDQSMFVPOPECY-OCCSQVGLSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@@H](C[NH2+]C[C@H]1CCN(C(C)C)C1)C1CC1 ZINC000400177320 383825350 /nfs/dbraw/zinc/82/53/50/383825350.db2.gz PRDQSMFVPOPECY-OCCSQVGLSA-N 1 3 240.391 1.731 20 0 BDADHO C[NH2+]CCCN1CCN(C2CCCC2)CC1 ZINC000052062956 134384824 /nfs/dbraw/zinc/38/48/24/134384824.db2.gz RNCFDFHNKDTXQK-UHFFFAOYSA-N 1 3 225.380 1.156 20 0 BDADHO CO[C@H](C[NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000400229015 383927115 /nfs/dbraw/zinc/92/71/15/383927115.db2.gz QULBIOYJTOIEIY-CYBMUJFWSA-N 1 3 224.348 1.263 20 0 BDADHO CO[C@H](C)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000223896416 384050110 /nfs/dbraw/zinc/05/01/10/384050110.db2.gz VBSACFWNWZXJHX-WQAKAFBOSA-N 1 3 220.316 1.756 20 0 BDADHO COCCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397326259 384084285 /nfs/dbraw/zinc/08/42/85/384084285.db2.gz ORZUOLYBNOORSX-XQQFMLRXSA-N 1 3 228.380 1.718 20 0 BDADHO COCCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397326259 384084292 /nfs/dbraw/zinc/08/42/92/384084292.db2.gz ORZUOLYBNOORSX-XQQFMLRXSA-N 1 3 228.380 1.718 20 0 BDADHO COCCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397326259 384084296 /nfs/dbraw/zinc/08/42/96/384084296.db2.gz ORZUOLYBNOORSX-XQQFMLRXSA-N 1 3 228.380 1.718 20 0 BDADHO N[C@H](CC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000569455530 384063075 /nfs/dbraw/zinc/06/30/75/384063075.db2.gz JWQRYHWOIUMACO-CYBMUJFWSA-N 1 3 247.342 1.026 20 0 BDADHO COCC1(NC[C@@H]([NH3+])CC(C)C)CCCC1 ZINC000569473380 384100275 /nfs/dbraw/zinc/10/02/75/384100275.db2.gz YIBBKKDYXCOAKN-LBPRGKRZSA-N 1 3 228.380 1.909 20 0 BDADHO Cc1ccc(CN(C)CCOCC[NH3+])cc1C ZINC000302286611 384131752 /nfs/dbraw/zinc/13/17/52/384131752.db2.gz CGDHRMTWXLHZMZ-UHFFFAOYSA-N 1 3 236.359 1.711 20 0 BDADHO CCOC[C@@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000313250735 384153667 /nfs/dbraw/zinc/15/36/67/384153667.db2.gz SWKHRQJCLCCVFD-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000313250735 384153672 /nfs/dbraw/zinc/15/36/72/384153672.db2.gz SWKHRQJCLCCVFD-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000313250735 384153676 /nfs/dbraw/zinc/15/36/76/384153676.db2.gz SWKHRQJCLCCVFD-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO N[C@H](CC(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000163270572 384202842 /nfs/dbraw/zinc/20/28/42/384202842.db2.gz CJXRTIFHCLHORG-QWHCGFSZSA-N 1 3 247.342 1.026 20 0 BDADHO C[C@@H](C(=O)NCCCC[NH3+])N1CCCCCC1 ZINC000237469259 384220169 /nfs/dbraw/zinc/22/01/69/384220169.db2.gz VYIWYJIDZXCVJW-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3cccnc3)C[C@H]21 ZINC000228472017 384257402 /nfs/dbraw/zinc/25/74/02/384257402.db2.gz ZEBXEIIFILXLPY-RRFJBIMHSA-N 1 3 245.370 1.683 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000558726695 384263955 /nfs/dbraw/zinc/26/39/55/384263955.db2.gz GAPUTSJMFHFVNH-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000558726695 384263960 /nfs/dbraw/zinc/26/39/60/384263960.db2.gz GAPUTSJMFHFVNH-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000558726694 384264634 /nfs/dbraw/zinc/26/46/34/384264634.db2.gz GAPUTSJMFHFVNH-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000558726694 384264639 /nfs/dbraw/zinc/26/46/39/384264639.db2.gz GAPUTSJMFHFVNH-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000168928640 384353672 /nfs/dbraw/zinc/35/36/72/384353672.db2.gz JKKPCTSJCNICJL-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000168928640 384353676 /nfs/dbraw/zinc/35/36/76/384353676.db2.gz JKKPCTSJCNICJL-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCC(C)(C)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000556455298 384395175 /nfs/dbraw/zinc/39/51/75/384395175.db2.gz NGMZKNBNOOICMK-GFCCVEGCSA-N 1 3 230.396 1.979 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000393598565 384404397 /nfs/dbraw/zinc/40/43/97/384404397.db2.gz MCPIGECDUNHEIU-GHMZBOCLSA-N 1 3 228.380 1.501 20 0 BDADHO Cc1cccc(C)c1CN1CCC(O)(C[NH3+])CC1 ZINC000335626160 384404488 /nfs/dbraw/zinc/40/44/88/384404488.db2.gz PDHIGYVDSZAASR-UHFFFAOYSA-N 1 3 248.370 1.589 20 0 BDADHO COC[C@H](NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000397244985 384418276 /nfs/dbraw/zinc/41/82/76/384418276.db2.gz NHDQZMPLZGMIJT-JQWIXIFHSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000397244985 384418283 /nfs/dbraw/zinc/41/82/83/384418283.db2.gz NHDQZMPLZGMIJT-JQWIXIFHSA-N 1 3 212.337 1.001 20 0 BDADHO COCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084215739 384377685 /nfs/dbraw/zinc/37/76/85/384377685.db2.gz QUABKZUHDFHVON-QWRGUYRKSA-N 1 3 200.326 1.130 20 0 BDADHO C[NH+]1CCC(CCNCc2cncs2)CC1 ZINC000122157643 384463723 /nfs/dbraw/zinc/46/37/23/384463723.db2.gz PYNLBCPYRCSEGF-UHFFFAOYSA-N 1 3 239.388 1.965 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647175052 384471461 /nfs/dbraw/zinc/47/14/61/384471461.db2.gz VULXZARSXZTNAU-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647175052 384471465 /nfs/dbraw/zinc/47/14/65/384471465.db2.gz VULXZARSXZTNAU-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000647175052 384471467 /nfs/dbraw/zinc/47/14/67/384471467.db2.gz VULXZARSXZTNAU-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CCN1CCN(CCC[NH2+][C@@H](C)C(C)C)CC1 ZINC000154247705 384598278 /nfs/dbraw/zinc/59/82/78/384598278.db2.gz UGMLXPVQODAJST-AWEZNQCLSA-N 1 3 241.423 1.648 20 0 BDADHO CCOC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403772 384647869 /nfs/dbraw/zinc/64/78/69/384647869.db2.gz UVQUYAJAHVVLPX-DCAQKATOSA-N 1 3 200.326 1.271 20 0 BDADHO C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCCNC1 ZINC000423221234 384778461 /nfs/dbraw/zinc/77/84/61/384778461.db2.gz ZLCUXBNLKABNEC-KGYLQXTDSA-N 1 3 208.349 1.764 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCCCOC)C1 ZINC000173908910 384730671 /nfs/dbraw/zinc/73/06/71/384730671.db2.gz OHVCKFGASBXKKR-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCOC)C1 ZINC000173908910 384730677 /nfs/dbraw/zinc/73/06/77/384730677.db2.gz OHVCKFGASBXKKR-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCCCOC)C1 ZINC000173908910 384730681 /nfs/dbraw/zinc/73/06/81/384730681.db2.gz OHVCKFGASBXKKR-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCOC)C1 ZINC000173908910 384730684 /nfs/dbraw/zinc/73/06/84/384730684.db2.gz OHVCKFGASBXKKR-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000647548677 384740070 /nfs/dbraw/zinc/74/00/70/384740070.db2.gz OONKHJBEBNUUBW-MEBFFEOJSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000647548680 384740965 /nfs/dbraw/zinc/74/09/65/384740965.db2.gz OONKHJBEBNUUBW-VJTDZRGJSA-N 1 3 238.375 1.532 20 0 BDADHO COC[C@H](NC[C@@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109095 384807691 /nfs/dbraw/zinc/80/76/91/384807691.db2.gz NJXSJLGKHSGVKQ-STQMWFEESA-N 1 3 226.364 1.391 20 0 BDADHO COC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CC1 ZINC000398109095 384807697 /nfs/dbraw/zinc/80/76/97/384807697.db2.gz NJXSJLGKHSGVKQ-STQMWFEESA-N 1 3 226.364 1.391 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000398240927 384863288 /nfs/dbraw/zinc/86/32/88/384863288.db2.gz WXGCJTBLOKTHRB-NXEZZACHSA-N 1 3 236.306 1.723 20 0 BDADHO COc1ccccc1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000259075228 384950828 /nfs/dbraw/zinc/95/08/28/384950828.db2.gz QVHVCDKKPGGMCN-CHWSQXEVSA-N 1 3 234.343 1.707 20 0 BDADHO CCC[NH+](CCC)CCCN[C@@H](C)[C@@H](C)O ZINC000644543966 384955115 /nfs/dbraw/zinc/95/51/15/384955115.db2.gz DSLJGZZMQDYFPS-QWHCGFSZSA-N 1 3 230.396 1.857 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220682713 384892092 /nfs/dbraw/zinc/89/20/92/384892092.db2.gz JARMPRHJBYAWJR-ONGXEEELSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1cccc(F)c1 ZINC000259026915 384958936 /nfs/dbraw/zinc/95/89/36/384958936.db2.gz OOSWRNXEAWWVHD-QWHCGFSZSA-N 1 3 222.307 1.838 20 0 BDADHO CC(C)[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000251354770 384916056 /nfs/dbraw/zinc/91/60/56/384916056.db2.gz CGECBUXDRCIOCS-STQMWFEESA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251354770 384916067 /nfs/dbraw/zinc/91/60/67/384916067.db2.gz CGECBUXDRCIOCS-STQMWFEESA-N 1 3 210.365 1.964 20 0 BDADHO c1cc(CCCN2CC[C@@]3(CC[NH2+]C3)C2)ccn1 ZINC000257651300 384920677 /nfs/dbraw/zinc/92/06/77/384920677.db2.gz DIIOZTDPGYVLFC-OAHLLOKOSA-N 1 3 245.370 1.700 20 0 BDADHO COc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000259214862 384959493 /nfs/dbraw/zinc/95/94/93/384959493.db2.gz XJCYNSHYVGNUHM-OLZOCXBDSA-N 1 3 220.316 1.665 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644531300 384931818 /nfs/dbraw/zinc/93/18/18/384931818.db2.gz IXHVOLIRXPCMMX-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](C)O)C1 ZINC000644531300 384931827 /nfs/dbraw/zinc/93/18/27/384931827.db2.gz IXHVOLIRXPCMMX-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](C)O)C1 ZINC000644531300 384931833 /nfs/dbraw/zinc/93/18/33/384931833.db2.gz IXHVOLIRXPCMMX-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500767 385022305 /nfs/dbraw/zinc/02/23/05/385022305.db2.gz QTRHBJHFRCLFQJ-AVGNSLFASA-N 1 3 228.380 1.658 20 0 BDADHO C(N[C@@H]1CC[C@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491436 384998396 /nfs/dbraw/zinc/99/83/96/384998396.db2.gz JQYDPOXPUSZLQU-FRRDWIJNSA-N 1 3 224.348 1.143 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000300859093 384999428 /nfs/dbraw/zinc/99/94/28/384999428.db2.gz CFKRPGOMTFYIQR-GHMZBOCLSA-N 1 3 216.394 1.847 20 0 BDADHO CC(C)OCCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000404837644 385097886 /nfs/dbraw/zinc/09/78/86/385097886.db2.gz APWGEORPXGEIEA-QWRGUYRKSA-N 1 3 214.353 1.517 20 0 BDADHO C([NH2+][C@H]1CCCOCC1)[C@H]1CCCNC1 ZINC000308811451 385182243 /nfs/dbraw/zinc/18/22/43/385182243.db2.gz COJDFTFJWPJSJH-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO COCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157333946 385146217 /nfs/dbraw/zinc/14/62/17/385146217.db2.gz FIXMLAZIOWKCPC-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000157575878 385218451 /nfs/dbraw/zinc/21/84/51/385218451.db2.gz HZRIENURLNBITH-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000157575878 385218458 /nfs/dbraw/zinc/21/84/58/385218458.db2.gz HZRIENURLNBITH-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000157575878 385218465 /nfs/dbraw/zinc/21/84/65/385218465.db2.gz HZRIENURLNBITH-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCCOCC1)CN(C)C ZINC000308915328 385280637 /nfs/dbraw/zinc/28/06/37/385280637.db2.gz NPXKQSSRVXGRLK-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CC(C)(O)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157897512 385302073 /nfs/dbraw/zinc/30/20/73/385302073.db2.gz XGXUYAWSZFAZRK-NWDGAFQWSA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)(O)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157897512 385302080 /nfs/dbraw/zinc/30/20/80/385302080.db2.gz XGXUYAWSZFAZRK-NWDGAFQWSA-N 1 3 226.364 1.364 20 0 BDADHO CCC[C@H](N)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000131645985 385352280 /nfs/dbraw/zinc/35/22/80/385352280.db2.gz QXKFWFFSDIOYKK-ZDUSSCGKSA-N 1 3 249.358 1.862 20 0 BDADHO Cc1cc(N2CCN(C[C@@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000192796409 385372107 /nfs/dbraw/zinc/37/21/07/385372107.db2.gz LBDCLPIPRXHCAW-QWHCGFSZSA-N 1 3 249.358 1.281 20 0 BDADHO CN1CC=C(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000308971376 385327900 /nfs/dbraw/zinc/32/79/00/385327900.db2.gz ZQMGTDKZMHVNDP-LBPRGKRZSA-N 1 3 226.389 1.591 20 0 BDADHO CN(CCC[NH3+])C(=O)[C@@H](N)CC1CCCCC1 ZINC000644066960 385414973 /nfs/dbraw/zinc/41/49/73/385414973.db2.gz YFRMSBFSUXOLTH-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000644072850 385420565 /nfs/dbraw/zinc/42/05/65/385420565.db2.gz KCFJNPHOBMKFAM-JOYOIKCWSA-N 1 3 247.342 1.643 20 0 BDADHO [NH3+]CCCC(=O)Nc1cccc2c1CCNC2 ZINC000518767240 385465777 /nfs/dbraw/zinc/46/57/77/385465777.db2.gz BCQXDEVCBYPJPX-UHFFFAOYSA-N 1 3 233.315 1.010 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000319097776 385543048 /nfs/dbraw/zinc/54/30/48/385543048.db2.gz WAQQDGXQDHINTG-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNC[C@](C)(CC)OC)C1 ZINC000319097776 385543050 /nfs/dbraw/zinc/54/30/50/385543050.db2.gz WAQQDGXQDHINTG-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@H+]1CC[C@@H](CNC[C@](C)(CC)OC)C1 ZINC000319097776 385543052 /nfs/dbraw/zinc/54/30/52/385543052.db2.gz WAQQDGXQDHINTG-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000309429033 385578684 /nfs/dbraw/zinc/57/86/84/385578684.db2.gz FUFOIDBUOJGZKR-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309429033 385578685 /nfs/dbraw/zinc/57/86/85/385578685.db2.gz FUFOIDBUOJGZKR-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309429033 385578688 /nfs/dbraw/zinc/57/86/88/385578688.db2.gz FUFOIDBUOJGZKR-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CCCNC1 ZINC000414849104 385616494 /nfs/dbraw/zinc/61/64/94/385616494.db2.gz HDDLHIHCJWVYKQ-SDDRHHMPSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](N[C@@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000414849104 385616500 /nfs/dbraw/zinc/61/65/00/385616500.db2.gz HDDLHIHCJWVYKQ-SDDRHHMPSA-N 1 3 228.405 1.860 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000336678669 385616648 /nfs/dbraw/zinc/61/66/48/385616648.db2.gz BYQDXTXHYWMFDI-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO FCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336680065 385626440 /nfs/dbraw/zinc/62/64/40/385626440.db2.gz IUDCCRMJPNSTKJ-NEPJUHHUSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336680065 385626443 /nfs/dbraw/zinc/62/64/43/385626443.db2.gz IUDCCRMJPNSTKJ-NEPJUHHUSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000336680065 385626448 /nfs/dbraw/zinc/62/64/48/385626448.db2.gz IUDCCRMJPNSTKJ-NEPJUHHUSA-N 1 3 214.328 1.953 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCSCC1 ZINC000307082271 385653694 /nfs/dbraw/zinc/65/36/94/385653694.db2.gz HKAGCSRXNXVDMN-ONGXEEELSA-N 1 3 214.378 1.612 20 0 BDADHO C[NH2+]C[C@@H](C)CNCCCc1ccc(C)nc1 ZINC000414854489 385694928 /nfs/dbraw/zinc/69/49/28/385694928.db2.gz VBSFSYYARAQYNO-GFCCVEGCSA-N 1 3 235.375 1.768 20 0 BDADHO CNC[C@@H](C)C[NH2+]CCCc1ccc(C)nc1 ZINC000414854489 385694931 /nfs/dbraw/zinc/69/49/31/385694931.db2.gz VBSFSYYARAQYNO-GFCCVEGCSA-N 1 3 235.375 1.768 20 0 BDADHO C[C@@H](CCC1CC1)[NH2+]CCOCCN(C)C ZINC000309572903 385703277 /nfs/dbraw/zinc/70/32/77/385703277.db2.gz OCJOELWNGWCNJC-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CCC[NH2+]CCNC[C@@H]1CCO[C@@H](CC)C1 ZINC000414865480 385768439 /nfs/dbraw/zinc/76/84/39/385768439.db2.gz FPLIRUOBICVXJD-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO COC[C@]1(CN[C@H]2CCC[C@H]2C)CCC[NH2+]1 ZINC000414945310 385800292 /nfs/dbraw/zinc/80/02/92/385800292.db2.gz PZQOJFXGGLCZMY-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CCCC[C@H](COC)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947273 385802188 /nfs/dbraw/zinc/80/21/88/385802188.db2.gz KOHOEHRTUUUUGX-YNEHKIRRSA-N 1 3 228.380 1.922 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414947273 385802195 /nfs/dbraw/zinc/80/21/95/385802195.db2.gz KOHOEHRTUUUUGX-YNEHKIRRSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CO1 ZINC000647804810 385838829 /nfs/dbraw/zinc/83/88/29/385838829.db2.gz ZYHHOMSGCGHXDN-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647804004 385841586 /nfs/dbraw/zinc/84/15/86/385841586.db2.gz HLMUSQZWBCTQQN-XOKHJRTDSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@H](C(=O)NC(C)(C)C[NH3+])[C@H](N)c1ccccc1 ZINC000262499621 385852539 /nfs/dbraw/zinc/85/25/39/385852539.db2.gz GECCTSBMHBXJJA-JQWIXIFHSA-N 1 3 249.358 1.176 20 0 BDADHO COC[C@@]1(CN[C@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962414 385892254 /nfs/dbraw/zinc/89/22/54/385892254.db2.gz WBCDHRZYYSKBCY-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](NC1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000335038279 385928022 /nfs/dbraw/zinc/92/80/22/385928022.db2.gz IUVUCTVKQIJRBY-SNVBAGLBSA-N 1 3 216.328 1.351 20 0 BDADHO C[C@@H]([NH2+]C1Cc2ccccc2C1)C1CNC1 ZINC000335038279 385928032 /nfs/dbraw/zinc/92/80/32/385928032.db2.gz IUVUCTVKQIJRBY-SNVBAGLBSA-N 1 3 216.328 1.351 20 0 BDADHO Cc1ccc(CNC[C@@H](C)C[NH3+])cc1F ZINC000414873743 385880298 /nfs/dbraw/zinc/88/02/98/385880298.db2.gz HWEOCFHANYYFJN-VIFPVBQESA-N 1 3 210.296 1.819 20 0 BDADHO Cc1c[nH]nc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414971932 385979230 /nfs/dbraw/zinc/97/92/30/385979230.db2.gz XBIOFYLLAAOJAC-LLVKDONJSA-N 1 3 222.336 1.340 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOCC3CC3)C[C@H]21 ZINC000342088609 385935563 /nfs/dbraw/zinc/93/55/63/385935563.db2.gz ADRCXNCNJJPVPY-MGPQQGTHSA-N 1 3 238.375 1.472 20 0 BDADHO CN(CCN1CCCC1)C[C@@H]1CCC[N@@H+]1C ZINC000643256096 386001538 /nfs/dbraw/zinc/00/15/38/386001538.db2.gz QZVAOMCRCBKOIX-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CN(CCN1CCCC1)C[C@@H]1CCC[N@H+]1C ZINC000643256096 386001543 /nfs/dbraw/zinc/00/15/43/386001543.db2.gz QZVAOMCRCBKOIX-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CC[NH+](CC)CCCN[C@@]1(C)CCO[C@@H]1C ZINC000336751875 386013952 /nfs/dbraw/zinc/01/39/52/386013952.db2.gz DBAUHVQSBYTUNB-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000336751875 386013958 /nfs/dbraw/zinc/01/39/58/386013958.db2.gz DBAUHVQSBYTUNB-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H](CC[NH+](C)C)NCC1=CCCOC1 ZINC000336771984 386056477 /nfs/dbraw/zinc/05/64/77/386056477.db2.gz XUNXCCLBZQYSLI-NSHDSACASA-N 1 3 212.337 1.263 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H](C)CN)CC1CCOCC1 ZINC000414884241 386045733 /nfs/dbraw/zinc/04/57/33/386045733.db2.gz VXRPFNAZNVAERO-NEPJUHHUSA-N 1 3 228.380 1.624 20 0 BDADHO C[C@H](CN)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414884244 386046020 /nfs/dbraw/zinc/04/60/20/386046020.db2.gz VXRPFNAZNVAERO-VXGBXAGGSA-N 1 3 228.380 1.624 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335078683 386051499 /nfs/dbraw/zinc/05/14/99/386051499.db2.gz RKVNAWDVSGYRFO-ZIAGYGMSSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1cn[nH]c1 ZINC000340519095 386115027 /nfs/dbraw/zinc/11/50/27/386115027.db2.gz UKJUKHLXADBTNE-LLVKDONJSA-N 1 3 248.374 1.935 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](C)Cc1ccccc1OC ZINC000414982264 386065363 /nfs/dbraw/zinc/06/53/63/386065363.db2.gz CNTFSNPUYVRCGS-YPMHNXCESA-N 1 3 236.359 1.953 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](CCO)C(C)C ZINC000414684170 386167585 /nfs/dbraw/zinc/16/75/85/386167585.db2.gz UXLPHXRTUJNIFD-LLVKDONJSA-N 1 3 202.342 1.063 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](CCO)C(C)C ZINC000414684170 386167587 /nfs/dbraw/zinc/16/75/87/386167587.db2.gz UXLPHXRTUJNIFD-LLVKDONJSA-N 1 3 202.342 1.063 20 0 BDADHO Cc1cc(CNC[C@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000414994943 386168430 /nfs/dbraw/zinc/16/84/30/386168430.db2.gz FERJFQXDVGSDDU-RYUDHWBXSA-N 1 3 236.363 1.336 20 0 BDADHO CCCO[C@@H]1CCC[N@H+](CCCN)CC1 ZINC000414693666 386190621 /nfs/dbraw/zinc/19/06/21/386190621.db2.gz MCBUPMFDMCSLMF-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCCO[C@@H]1CCC[N@@H+](CCCN)CC1 ZINC000414693666 386190627 /nfs/dbraw/zinc/19/06/27/386190627.db2.gz MCBUPMFDMCSLMF-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCCO[C@@H]1CCCN(CCC[NH3+])CC1 ZINC000414693666 386190631 /nfs/dbraw/zinc/19/06/31/386190631.db2.gz MCBUPMFDMCSLMF-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCCCOCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164646889 386174353 /nfs/dbraw/zinc/17/43/53/386174353.db2.gz ZVCAIADUJZJGST-QWHCGFSZSA-N 1 3 228.380 1.720 20 0 BDADHO C[C@@H](CC[NH3+])NCc1cccc2c[nH]nc21 ZINC000414894629 386175626 /nfs/dbraw/zinc/17/56/26/386175626.db2.gz ZSGLZVASKPDKRZ-VIFPVBQESA-N 1 3 218.304 1.390 20 0 BDADHO COCc1cccc(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000414894752 386180868 /nfs/dbraw/zinc/18/08/68/386180868.db2.gz LQCODWAAQIQFHE-CQSZACIVSA-N 1 3 234.343 1.660 20 0 BDADHO C([C@H]1CCOC1)N(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647875051 386142547 /nfs/dbraw/zinc/14/25/47/386142547.db2.gz SYJCKDKEMWDFNJ-NWDGAFQWSA-N 1 3 224.348 1.097 20 0 BDADHO CCC1(CO)CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414701891 386204464 /nfs/dbraw/zinc/20/44/64/386204464.db2.gz LDLNFBMSMCBCSE-ZDUSSCGKSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@H](CN)C1 ZINC000347038903 386226882 /nfs/dbraw/zinc/22/68/82/386226882.db2.gz IYWPGSUJJUDAEK-TZMCWYRMSA-N 1 3 240.391 1.720 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@H+]1CC[C@H](CN)C1 ZINC000347038903 386226889 /nfs/dbraw/zinc/22/68/89/386226889.db2.gz IYWPGSUJJUDAEK-TZMCWYRMSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)C[C@H]([NH3+])CNC(C)(C)CCO ZINC000414712037 386227621 /nfs/dbraw/zinc/22/76/21/386227621.db2.gz SEEQZGZBKSCNPR-JTQLQIEISA-N 1 3 202.342 1.110 20 0 BDADHO CN(c1ccccc1)C1CCN(CCC[NH3+])CC1 ZINC000414716520 386239321 /nfs/dbraw/zinc/23/93/21/386239321.db2.gz YFBLLRBPKUJABX-UHFFFAOYSA-N 1 3 247.386 1.936 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000125288731 386241331 /nfs/dbraw/zinc/24/13/31/386241331.db2.gz GVAXNYAVRNFRIV-VXGBXAGGSA-N 1 3 214.353 1.484 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](C)O ZINC000339096372 386242712 /nfs/dbraw/zinc/24/27/12/386242712.db2.gz LXPSYKMCRJPCMG-IHRRRGAJSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)O ZINC000339096372 386242724 /nfs/dbraw/zinc/24/27/24/386242724.db2.gz LXPSYKMCRJPCMG-IHRRRGAJSA-N 1 3 242.407 1.857 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)N(C)C ZINC000353512495 386251697 /nfs/dbraw/zinc/25/16/97/386251697.db2.gz CXBKVGMKIJWWJR-XJFOESAGSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@H]1CCN(C)CCN1CC[NH2+]C(C)(C)C ZINC000414696874 386199962 /nfs/dbraw/zinc/19/99/62/386199962.db2.gz QPOIWGSYNLEKBI-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+]CCCN)C2 ZINC000414731129 386286269 /nfs/dbraw/zinc/28/62/69/386286269.db2.gz FGUFWIOSXMWQLB-LBPRGKRZSA-N 1 3 234.343 1.491 20 0 BDADHO COc1cccc2c1CC[C@H](NCCC[NH3+])C2 ZINC000414731129 386286272 /nfs/dbraw/zinc/28/62/72/386286272.db2.gz FGUFWIOSXMWQLB-LBPRGKRZSA-N 1 3 234.343 1.491 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+]CCCN)C2 ZINC000414731128 386287429 /nfs/dbraw/zinc/28/74/29/386287429.db2.gz FGUFWIOSXMWQLB-GFCCVEGCSA-N 1 3 234.343 1.491 20 0 BDADHO COc1cccc2c1CC[C@@H](NCCC[NH3+])C2 ZINC000414731128 386287431 /nfs/dbraw/zinc/28/74/31/386287431.db2.gz FGUFWIOSXMWQLB-GFCCVEGCSA-N 1 3 234.343 1.491 20 0 BDADHO CN(CCCCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336667783 386297304 /nfs/dbraw/zinc/29/73/04/386297304.db2.gz OSRZZQDZZUBGSE-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CN(CCCCCO)CC[C@@H]1CCC[N@H+]1C ZINC000336667783 386297311 /nfs/dbraw/zinc/29/73/11/386297311.db2.gz OSRZZQDZZUBGSE-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000415003588 386262290 /nfs/dbraw/zinc/26/22/90/386262290.db2.gz PDEJQCCYGDMWQW-VWYCJHECSA-N 1 3 247.333 1.104 20 0 BDADHO c1ccc2c(c1)OCC[C@@H]2C[NH2+]C1CCNCC1 ZINC000335276764 386341289 /nfs/dbraw/zinc/34/12/89/386341289.db2.gz IAXXGKCEZJHLDP-GFCCVEGCSA-N 1 3 246.354 1.894 20 0 BDADHO c1ccc2c(c1)OCC[C@@H]2CNC1CC[NH2+]CC1 ZINC000335276764 386341291 /nfs/dbraw/zinc/34/12/91/386341291.db2.gz IAXXGKCEZJHLDP-GFCCVEGCSA-N 1 3 246.354 1.894 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1C[C@H](C)N(C)C[C@H]1C ZINC000414746741 386347075 /nfs/dbraw/zinc/34/70/75/386347075.db2.gz SSJHIXSXTIUNTE-XQQFMLRXSA-N 1 3 227.396 1.384 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000414746732 386347388 /nfs/dbraw/zinc/34/73/88/386347388.db2.gz SSJHIXSXTIUNTE-AGIUHOORSA-N 1 3 227.396 1.384 20 0 BDADHO CC[C@@H](COC)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906207 386371500 /nfs/dbraw/zinc/37/15/00/386371500.db2.gz MFIUHUWLXZVAHY-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906207 386371508 /nfs/dbraw/zinc/37/15/08/386371508.db2.gz MFIUHUWLXZVAHY-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@@H](COC)NCC[C@H]1CCC[NH2+]1 ZINC000414906867 386375087 /nfs/dbraw/zinc/37/50/87/386375087.db2.gz PREKKILMPSIYLJ-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CN1CC=C(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000336775164 386384562 /nfs/dbraw/zinc/38/45/62/386384562.db2.gz YFPZWUQFDLTWEB-CYBMUJFWSA-N 1 3 224.348 1.265 20 0 BDADHO C[C@@]1(CN2CCN3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000094440690 386452654 /nfs/dbraw/zinc/45/26/54/386452654.db2.gz WVLSQKIHKONWAE-ZIAGYGMSSA-N 1 3 237.391 1.156 20 0 BDADHO CCC[C@]1(CO)CCCN1C[C@H]([NH3+])CC(C)C ZINC000414756517 386400916 /nfs/dbraw/zinc/40/09/16/386400916.db2.gz JXGDUYUMNZEIAX-ZIAGYGMSSA-N 1 3 242.407 1.987 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336700663 386401730 /nfs/dbraw/zinc/40/17/30/386401730.db2.gz KNJOMLOCDKGBTK-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336700663 386401734 /nfs/dbraw/zinc/40/17/34/386401734.db2.gz KNJOMLOCDKGBTK-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCO1 ZINC000336732710 386402850 /nfs/dbraw/zinc/40/28/50/386402850.db2.gz FZYTUWRPYOMIOV-AAEUAGOBSA-N 1 3 224.348 1.405 20 0 BDADHO CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488819 386417608 /nfs/dbraw/zinc/41/76/08/386417608.db2.gz IXRYQUSXQHHMJW-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414780338 386495569 /nfs/dbraw/zinc/49/55/69/386495569.db2.gz LIKUCWYIHKKDKM-JHJVBQTASA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414780338 386495576 /nfs/dbraw/zinc/49/55/76/386495576.db2.gz LIKUCWYIHKKDKM-JHJVBQTASA-N 1 3 238.375 1.330 20 0 BDADHO C[C@H](CCC[NH3+])NCc1cn2ccccc2n1 ZINC000415020199 386508654 /nfs/dbraw/zinc/50/86/54/386508654.db2.gz JJIKCAMEACWSKX-LLVKDONJSA-N 1 3 232.331 1.551 20 0 BDADHO COc1ccc([C@@H](C)CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415034968 386520932 /nfs/dbraw/zinc/52/09/32/386520932.db2.gz KGRYDJNOTDSJDN-BSLXNSKLSA-N 1 3 246.354 1.606 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543655 386521459 /nfs/dbraw/zinc/52/14/59/386521459.db2.gz IAXPNOYMEFOKSA-NEPJUHHUSA-N 1 3 249.362 1.078 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543655 386521462 /nfs/dbraw/zinc/52/14/62/386521462.db2.gz IAXPNOYMEFOKSA-NEPJUHHUSA-N 1 3 249.362 1.078 20 0 BDADHO C[C@@H]1CCCC[C@@H]1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415035305 386521756 /nfs/dbraw/zinc/52/17/56/386521756.db2.gz KKJBGZMUMHPFBV-KVSVUVNWSA-N 1 3 208.349 1.620 20 0 BDADHO C[C@@H]1CCC[C@H](CNC[C@@H]2C[NH2+]CCCO2)C1 ZINC000415036438 386524368 /nfs/dbraw/zinc/52/43/68/386524368.db2.gz JVRYZQGCTSUVOO-RDBSUJKOSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@]1(C[NH2+]CC[C@@H]2CCOC2)CCCNC1 ZINC000414917006 386524721 /nfs/dbraw/zinc/52/47/21/386524721.db2.gz QUAWTBPJHSORBC-CHWSQXEVSA-N 1 3 226.364 1.392 20 0 BDADHO C1CC([C@@H]2CC[C@H]2[NH2+]C2CCNCC2)C1 ZINC000335452326 386527524 /nfs/dbraw/zinc/52/75/24/386527524.db2.gz OIMYWUVDHXPNIV-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](CCc1ccccc1F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039300 386527723 /nfs/dbraw/zinc/52/77/23/386527723.db2.gz PEDKFVXGLYKHAK-PBOSXPJTSA-N 1 3 248.345 1.954 20 0 BDADHO CO[C@]1(C)CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336725091 386460242 /nfs/dbraw/zinc/46/02/42/386460242.db2.gz MURRWDQKQJOMQJ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@]1(C)CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000336725091 386460244 /nfs/dbraw/zinc/46/02/44/386460244.db2.gz MURRWDQKQJOMQJ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@@]1(C)CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000336725089 386460370 /nfs/dbraw/zinc/46/03/70/386460370.db2.gz MURRWDQKQJOMQJ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@@]1(C)CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000336725089 386460374 /nfs/dbraw/zinc/46/03/74/386460374.db2.gz MURRWDQKQJOMQJ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@H](NC[C@@H]([NH3+])CC(C)C)[C@@H]1CCCO1 ZINC000415076905 386576712 /nfs/dbraw/zinc/57/67/12/386576712.db2.gz GYFIPGPTJLYYMJ-AVGNSLFASA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CNC[C@@H]1O)C1CCCCC1 ZINC000414800241 386583322 /nfs/dbraw/zinc/58/33/22/386583322.db2.gz ZBZFTSBEZOQMKF-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]C[C@@H]1O)C1CCCCC1 ZINC000414800241 386583329 /nfs/dbraw/zinc/58/33/29/386583329.db2.gz ZBZFTSBEZOQMKF-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000415082786 386594796 /nfs/dbraw/zinc/59/47/96/386594796.db2.gz OVSGBMRNQBIJDA-MROQNXINSA-N 1 3 226.364 1.532 20 0 BDADHO C[N@H+](CCC1CCCCCC1)C[C@@H](O)CN ZINC000415069241 386550945 /nfs/dbraw/zinc/55/09/45/386550945.db2.gz ONUOLCUKMQGKFG-ZDUSSCGKSA-N 1 3 228.380 1.598 20 0 BDADHO C[N@@H+](CCC1CCCCCC1)C[C@@H](O)CN ZINC000415069241 386550952 /nfs/dbraw/zinc/55/09/52/386550952.db2.gz ONUOLCUKMQGKFG-ZDUSSCGKSA-N 1 3 228.380 1.598 20 0 BDADHO CN(CCC1CCCCCC1)C[C@@H](O)C[NH3+] ZINC000415069241 386550953 /nfs/dbraw/zinc/55/09/53/386550953.db2.gz ONUOLCUKMQGKFG-ZDUSSCGKSA-N 1 3 228.380 1.598 20 0 BDADHO NC[C@H]1c2ccccc2CCN1C[C@H]1CC[NH2+]C1 ZINC000647995786 386558868 /nfs/dbraw/zinc/55/88/68/386558868.db2.gz GFSFBTOVBKURQZ-WFASDCNBSA-N 1 3 245.370 1.154 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1ncccc1F ZINC000519822024 386561780 /nfs/dbraw/zinc/56/17/80/386561780.db2.gz IBMCFLIXWYYQFN-JTQLQIEISA-N 1 3 225.311 1.828 20 0 BDADHO CC[C@H]([NH2+]C1CCNCC1)[C@H]1CCCO1 ZINC000415075836 386569645 /nfs/dbraw/zinc/56/96/45/386569645.db2.gz FQMOBQFZUBXMLT-NWDGAFQWSA-N 1 3 212.337 1.286 20 0 BDADHO CC[C@H](NC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000415075836 386569651 /nfs/dbraw/zinc/56/96/51/386569651.db2.gz FQMOBQFZUBXMLT-NWDGAFQWSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](N)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000335409374 386571346 /nfs/dbraw/zinc/57/13/46/386571346.db2.gz YCIAZEIQNGMKMO-LLVKDONJSA-N 1 3 226.364 1.472 20 0 BDADHO CCN1CCCC[C@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000415074295 386573565 /nfs/dbraw/zinc/57/35/65/386573565.db2.gz CGCOERKZDCZCHT-UONOGXRCSA-N 1 3 239.407 1.450 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCNC1)C1CCSCC1 ZINC000335498705 386625751 /nfs/dbraw/zinc/62/57/51/386625751.db2.gz UFAQLSKSNDYUNW-KOLCDFICSA-N 1 3 214.378 1.470 20 0 BDADHO COC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CCCC1 ZINC000425919135 386632544 /nfs/dbraw/zinc/63/25/44/386632544.db2.gz IOYZJTVYOVSZIH-OCCSQVGLSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@@H]1C[C@H](CN(C)CCC[NH2+]C)CCO1 ZINC000415138981 386632924 /nfs/dbraw/zinc/63/29/24/386632924.db2.gz WBUDDETWKIPVJI-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+](C)CCCNC)CCO1 ZINC000415138981 386632931 /nfs/dbraw/zinc/63/29/31/386632931.db2.gz WBUDDETWKIPVJI-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+](C)CCCNC)CCO1 ZINC000415138981 386632933 /nfs/dbraw/zinc/63/29/33/386632933.db2.gz WBUDDETWKIPVJI-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+]CC[C@H](C)N)C2 ZINC000414818300 386656088 /nfs/dbraw/zinc/65/60/88/386656088.db2.gz DNFYQDWJSNIGQF-WCQYABFASA-N 1 3 248.370 1.879 20 0 BDADHO COc1cccc2c1CC[C@@H](NCC[C@H](C)[NH3+])C2 ZINC000414818300 386656094 /nfs/dbraw/zinc/65/60/94/386656094.db2.gz DNFYQDWJSNIGQF-WCQYABFASA-N 1 3 248.370 1.879 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@@H](C)COCC ZINC000414816341 386647019 /nfs/dbraw/zinc/64/70/19/386647019.db2.gz PMJXYLPSGDOHAW-QWRGUYRKSA-N 1 3 202.342 1.519 20 0 BDADHO C[C@@]1(CNC[C@H]2CCCCO2)CC[NH2+]C1 ZINC000062912054 386653770 /nfs/dbraw/zinc/65/37/70/386653770.db2.gz FOJFSDNPZGRIHB-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO CC(C)([NH3+])CNC[C@@H]1CCN(c2ccccc2)C1 ZINC000415082144 386600219 /nfs/dbraw/zinc/60/02/19/386600219.db2.gz LKNHCXOKVSXHBN-ZDUSSCGKSA-N 1 3 247.386 1.840 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1CCO[C@@H]1C ZINC000414801939 386603903 /nfs/dbraw/zinc/60/39/03/386603903.db2.gz AUIJRCMBYRZIAU-NXEZZACHSA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H]([NH2+]CCNC(C)(C)C)[C@@H]1CCCO1 ZINC000415087649 386606729 /nfs/dbraw/zinc/60/67/29/386606729.db2.gz WHPXGYIJLKFGIS-RYUDHWBXSA-N 1 3 228.380 1.922 20 0 BDADHO c1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)on1 ZINC000647978654 386613519 /nfs/dbraw/zinc/61/35/19/386613519.db2.gz WHAVLIWMDKXFCC-QWHCGFSZSA-N 1 3 249.358 1.886 20 0 BDADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCNC1 ZINC000415107559 386617947 /nfs/dbraw/zinc/61/79/47/386617947.db2.gz JDQCPXYZEJAKBW-TZMCWYRMSA-N 1 3 233.359 1.744 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](C)Cn1cccn1 ZINC000414807254 386618864 /nfs/dbraw/zinc/61/88/64/386618864.db2.gz CKDNNJVDXLCMQZ-VXGBXAGGSA-N 1 3 224.352 1.379 20 0 BDADHO C[N@H+](CCCN1CCCC1)[C@H]1CCCOC1 ZINC000337220023 386660125 /nfs/dbraw/zinc/66/01/25/386660125.db2.gz CYCZTEKCOHGEMJ-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO C[N@@H+](CCCN1CCCC1)[C@H]1CCCOC1 ZINC000337220023 386660129 /nfs/dbraw/zinc/66/01/29/386660129.db2.gz CYCZTEKCOHGEMJ-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCc1ccc2cncn2c1 ZINC000335530631 386677797 /nfs/dbraw/zinc/67/77/97/386677797.db2.gz AWNZLUPDCQLRET-QWHCGFSZSA-N 1 3 230.315 1.304 20 0 BDADHO Cc1c[nH]nc1CNCC1(C)CC[NH+](C)CC1 ZINC000352832188 386678210 /nfs/dbraw/zinc/67/82/10/386678210.db2.gz DZJZPMXREBHLTJ-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCNC2)CCO1 ZINC000414831100 386709288 /nfs/dbraw/zinc/70/92/88/386709288.db2.gz PMYCZCLQALARBV-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO C1C[C@H]2CC(N[C@@H]3CCCSC3)C[C@@H]1[NH2+]2 ZINC000414824475 386683239 /nfs/dbraw/zinc/68/32/39/386683239.db2.gz FZFRQYBKFRIOHF-FBTJUVTCSA-N 1 3 226.389 1.755 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000335468308 386685345 /nfs/dbraw/zinc/68/53/45/386685345.db2.gz GNRXSNMYDQYVCQ-GFCCVEGCSA-N 1 3 238.375 1.365 20 0 BDADHO CC[C@H](COC)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826849 386688079 /nfs/dbraw/zinc/68/80/79/386688079.db2.gz WTRUQBCXLKRELV-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414826849 386688083 /nfs/dbraw/zinc/68/80/83/386688083.db2.gz WTRUQBCXLKRELV-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO COc1cc(C)nc(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414827989 386697946 /nfs/dbraw/zinc/69/79/46/386697946.db2.gz ICQJUJHPQRVKFW-GFCCVEGCSA-N 1 3 249.358 1.488 20 0 BDADHO COc1cc(C)nc(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414827990 386699649 /nfs/dbraw/zinc/69/96/49/386699649.db2.gz ICQJUJHPQRVKFW-LBPRGKRZSA-N 1 3 249.358 1.488 20 0 BDADHO N[C@H](CNCC1(C[NH3+])CC1)c1ccccc1 ZINC000414828952 386700219 /nfs/dbraw/zinc/70/02/19/386700219.db2.gz KAJYGCRPYKQAMG-GFCCVEGCSA-N 1 3 219.332 1.015 20 0 BDADHO CCCCCN(CCO)CCC[NH2+]C ZINC000336648995 386702778 /nfs/dbraw/zinc/70/27/78/386702778.db2.gz CSIRWJBSVWSGOU-UHFFFAOYSA-N 1 3 202.342 1.080 20 0 BDADHO CC(C)C[C@@H](CN)[NH2+]Cc1cccnc1 ZINC000414836053 386732736 /nfs/dbraw/zinc/73/27/36/386732736.db2.gz HYBCGVXUJGPRCG-LBPRGKRZSA-N 1 3 207.321 1.545 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414831714 386712754 /nfs/dbraw/zinc/71/27/54/386712754.db2.gz DMGOJPVZFJPGCJ-YNEHKIRRSA-N 1 3 228.380 1.635 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@@H](C)[C@H](N)C2)cn1 ZINC000340690322 386714704 /nfs/dbraw/zinc/71/47/04/386714704.db2.gz KZVFFXKSFQVWME-BXUZGUMPSA-N 1 3 233.359 1.602 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@H](N)C2)cn1 ZINC000340690322 386714708 /nfs/dbraw/zinc/71/47/08/386714708.db2.gz KZVFFXKSFQVWME-BXUZGUMPSA-N 1 3 233.359 1.602 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H](COC)CC(C)C ZINC000414832189 386717920 /nfs/dbraw/zinc/71/79/20/386717920.db2.gz FBGKZDQGGLUPEO-NEPJUHHUSA-N 1 3 216.369 1.493 20 0 BDADHO C[NH2+]CCN[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000414832003 386718231 /nfs/dbraw/zinc/71/82/31/386718231.db2.gz QNEACCHZDQEMGV-ZFWWWQNUSA-N 1 3 247.386 1.316 20 0 BDADHO C[C@@H]1CCC[C@H]1[NH2+]CCCN(C)CCN(C)C ZINC000623087815 386723652 /nfs/dbraw/zinc/72/36/52/386723652.db2.gz JOQWKUWIDPCZEK-ZIAGYGMSSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000396601075 386788070 /nfs/dbraw/zinc/78/80/70/386788070.db2.gz AURDGLJZAUVHLZ-WRWGMCAJSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H](CN)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414936290 386826643 /nfs/dbraw/zinc/82/66/43/386826643.db2.gz BYEQHLYDITVFOU-VIFPVBQESA-N 1 3 233.290 1.811 20 0 BDADHO [NH3+]C[C@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC000334775045 386827250 /nfs/dbraw/zinc/82/72/50/386827250.db2.gz DIEVHQQEJNEVLN-LLVKDONJSA-N 1 3 244.342 1.734 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000398540966 386839346 /nfs/dbraw/zinc/83/93/46/386839346.db2.gz GWEITBAOOJHTQX-SRVKXCTJSA-N 1 3 214.353 1.397 20 0 BDADHO CS[C@@H]1CC[C@@H]1NCCC[NH+](C)C ZINC000425334385 386847610 /nfs/dbraw/zinc/84/76/10/386847610.db2.gz DQLBJWVSSMNRQQ-VHSXEESVSA-N 1 3 202.367 1.422 20 0 BDADHO CS[C@H]1CC[C@H]1NCCC[NH+](C)C ZINC000425334388 386848539 /nfs/dbraw/zinc/84/85/39/386848539.db2.gz DQLBJWVSSMNRQQ-ZJUUUORDSA-N 1 3 202.367 1.422 20 0 BDADHO CC[C@@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000336744317 386861103 /nfs/dbraw/zinc/86/11/03/386861103.db2.gz ZDKSDIHDWWQJGQ-LLVKDONJSA-N 1 3 214.353 1.079 20 0 BDADHO COC[C@]1(CN[C@H]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000414942239 386901714 /nfs/dbraw/zinc/90/17/14/386901714.db2.gz JVIHAXWYQFRPDX-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1CNCC[C@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856219 386909027 /nfs/dbraw/zinc/90/90/27/386909027.db2.gz HELSRTADXIKENJ-GXFFZTMASA-N 1 3 244.342 1.651 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000334819892 386947138 /nfs/dbraw/zinc/94/71/38/386947138.db2.gz WBDMEWYOGMTBIK-WDEREUQCSA-N 1 3 212.337 1.415 20 0 BDADHO CC1(C)CCC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000334874442 386934987 /nfs/dbraw/zinc/93/49/87/386934987.db2.gz MJSIMJRSBRFZDX-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CC[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000334873781 386935195 /nfs/dbraw/zinc/93/51/95/386935195.db2.gz JGXTUPOWYAWAMI-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000425363734 386972942 /nfs/dbraw/zinc/97/29/42/386972942.db2.gz XTVCDTNMNPLTEN-UTUOFQBUSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CC[C@@H]2SC)C1 ZINC000425363734 386972943 /nfs/dbraw/zinc/97/29/43/386972943.db2.gz XTVCDTNMNPLTEN-UTUOFQBUSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CC[C@@H]2SC)C1 ZINC000425363734 386972946 /nfs/dbraw/zinc/97/29/46/386972946.db2.gz XTVCDTNMNPLTEN-UTUOFQBUSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000395205989 386999285 /nfs/dbraw/zinc/99/92/85/386999285.db2.gz ONNBQKKKQUOKAJ-MBNYWOFBSA-N 1 3 239.407 1.589 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332055248 386950046 /nfs/dbraw/zinc/95/00/46/386950046.db2.gz XBJZCIJQECZXGN-QJPTWQEYSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@@H]1CCCC[N@H+](CCN2CCNCC2)C1 ZINC000334965848 387047360 /nfs/dbraw/zinc/04/73/60/387047360.db2.gz ADEPKUJDKYIKEJ-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@@H]1CCCC[N@@H+](CCN2CCNCC2)C1 ZINC000334965848 387047361 /nfs/dbraw/zinc/04/73/61/387047361.db2.gz ADEPKUJDKYIKEJ-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO c1ncc2c(n1)CN(CCC1CC[NH2+]CC1)CC2 ZINC000359217481 387069378 /nfs/dbraw/zinc/06/93/78/387069378.db2.gz RZGWCQAJTYECJY-UHFFFAOYSA-N 1 3 246.358 1.224 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+](CC)CCC ZINC000228329859 387081600 /nfs/dbraw/zinc/08/16/00/387081600.db2.gz MQKBBNRBBMOLIC-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+](CC)CCC ZINC000228329859 387081603 /nfs/dbraw/zinc/08/16/03/387081603.db2.gz MQKBBNRBBMOLIC-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2cccnc2)C1 ZINC000111695583 387085667 /nfs/dbraw/zinc/08/56/67/387085667.db2.gz RXVCTGGENBYTOL-JSGCOSHPSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H]1C[C@H](NCCOCC(F)F)CC[N@@H+]1C ZINC000188744128 387088042 /nfs/dbraw/zinc/08/80/42/387088042.db2.gz RNUAPQAQWMJXAQ-VHSXEESVSA-N 1 3 236.306 1.340 20 0 BDADHO C[C@H]1C[C@H](NCCOCC(F)F)CC[N@H+]1C ZINC000188744128 387088046 /nfs/dbraw/zinc/08/80/46/387088046.db2.gz RNUAPQAQWMJXAQ-VHSXEESVSA-N 1 3 236.306 1.340 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+](CC)CCC ZINC000228451373 387094329 /nfs/dbraw/zinc/09/43/29/387094329.db2.gz MQKBBNRBBMOLIC-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](CC)CCC ZINC000228451373 387094336 /nfs/dbraw/zinc/09/43/36/387094336.db2.gz MQKBBNRBBMOLIC-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000423300535 387132569 /nfs/dbraw/zinc/13/25/69/387132569.db2.gz RSKUFBNKNKGQEG-XQQFMLRXSA-N 1 3 227.396 1.434 20 0 BDADHO CC1(F)CC([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000335008452 387102192 /nfs/dbraw/zinc/10/21/92/387102192.db2.gz UMJFUBUPLFRMLM-ZYGVAYEYSA-N 1 3 214.328 1.984 20 0 BDADHO CN1CCCC(C)(C)[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000335008955 387102418 /nfs/dbraw/zinc/10/24/18/387102418.db2.gz FKCJYXLMGBBTFM-VXGBXAGGSA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@H](NC[C@H](C)C[NH3+])c1ccncc1 ZINC000423310224 387146153 /nfs/dbraw/zinc/14/61/53/387146153.db2.gz RKZSHTFNVQYBIM-PWSUYJOCSA-N 1 3 207.321 1.717 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CCc2ccccc2OC1 ZINC000423311235 387149555 /nfs/dbraw/zinc/14/95/55/387149555.db2.gz TVCDMWAVVJKTAJ-DGCLKSJQSA-N 1 3 234.343 1.565 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423311235 387149558 /nfs/dbraw/zinc/14/95/58/387149558.db2.gz TVCDMWAVVJKTAJ-DGCLKSJQSA-N 1 3 234.343 1.565 20 0 BDADHO COC[C@@H](NC[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314204 387154338 /nfs/dbraw/zinc/15/43/38/387154338.db2.gz GUJXGEHLDCFRTB-CHWSQXEVSA-N 1 3 226.364 1.519 20 0 BDADHO Cc1nccnc1[C@H](C)NCC1(C)CC[NH2+]CC1 ZINC000423327654 387169827 /nfs/dbraw/zinc/16/98/27/387169827.db2.gz LNRWIULXMGPSBF-LBPRGKRZSA-N 1 3 248.374 1.825 20 0 BDADHO COC(=O)c1coc([C@H](C)NCCCC[NH3+])c1 ZINC000423327944 387170025 /nfs/dbraw/zinc/17/00/25/387170025.db2.gz NJMDDCBOLKQIMY-VIFPVBQESA-N 1 3 240.303 1.456 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(CO)c1 ZINC000423335390 387183765 /nfs/dbraw/zinc/18/37/65/387183765.db2.gz XGMNRZQAXXRCKR-QMTHXVAHSA-N 1 3 234.343 1.567 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CCc2c1cccc2F ZINC000423303335 387136607 /nfs/dbraw/zinc/13/66/07/387136607.db2.gz WWPWIQGIIXTGJH-NOZJJQNGSA-N 1 3 222.307 1.997 20 0 BDADHO C[C@H](Cc1ccoc1)NCC[C@H]1CCC[NH2+]1 ZINC000423353846 387204851 /nfs/dbraw/zinc/20/48/51/387204851.db2.gz DWQRVICJYKDGIK-DGCLKSJQSA-N 1 3 222.332 1.942 20 0 BDADHO CCCCO[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423357346 387208465 /nfs/dbraw/zinc/20/84/65/387208465.db2.gz ABGWSNOSCURIOE-TUAOUCFPSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H](NC[C@H]1NCCc2ccccc21)C1C[NH2+]C1 ZINC000423424946 387253009 /nfs/dbraw/zinc/25/30/09/387253009.db2.gz LYLTYJCRDSIHRM-XHDPSFHLSA-N 1 3 245.370 1.071 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423373021 387227163 /nfs/dbraw/zinc/22/71/63/387227163.db2.gz GTJUDIQJZVEHCS-FQUUOJAGSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)[C@H](C)O1 ZINC000423325909 387228735 /nfs/dbraw/zinc/22/87/35/387228735.db2.gz CETFZBFXHHQHNH-VOAKCMCISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCNC2)[C@H](C)O1 ZINC000423325909 387228740 /nfs/dbraw/zinc/22/87/40/387228740.db2.gz CETFZBFXHHQHNH-VOAKCMCISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)CN1CCCCC1 ZINC000120343751 387232047 /nfs/dbraw/zinc/23/20/47/387232047.db2.gz OHMKKILIKZWHLE-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H]1CCO[C@H]1C)C[NH+]1CCCCC1 ZINC000120343751 387232050 /nfs/dbraw/zinc/23/20/50/387232050.db2.gz OHMKKILIKZWHLE-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCNC[C@@H]2C)CC1 ZINC000423408589 387246844 /nfs/dbraw/zinc/24/68/44/387246844.db2.gz XRZDOISRDYAFDB-GFJIZPEISA-N 1 3 240.391 1.779 20 0 BDADHO c1ccc2c(c1)CCC(N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423429171 387253812 /nfs/dbraw/zinc/25/38/12/387253812.db2.gz LDDLVFVRCUEWMD-ZSHCYNCHSA-N 1 3 242.366 1.741 20 0 BDADHO CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423420168 387248958 /nfs/dbraw/zinc/24/89/58/387248958.db2.gz BDYBZWSRDVUOOW-QNWHQSFQSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H](COC)C1CCCC1 ZINC000423467760 387315629 /nfs/dbraw/zinc/31/56/29/387315629.db2.gz OBBMOHYGLCGLAO-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1NC[C@@H](C)[NH2+]C ZINC000423394604 387282085 /nfs/dbraw/zinc/28/20/85/387282085.db2.gz QJVGDUHPASCJFS-WOPDTQHZSA-N 1 3 214.353 1.389 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)[C@H](C)[NH3+])C[C@@H]1OC ZINC000423442803 387292068 /nfs/dbraw/zinc/29/20/68/387292068.db2.gz KBKWNZFNMBBXEF-QCNOEVLYSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000423448935 387296865 /nfs/dbraw/zinc/29/68/65/387296865.db2.gz QVXJDTOPYYFKRQ-KKJSVHSVSA-N 1 3 224.348 1.269 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccc(F)cn1 ZINC000423450024 387298965 /nfs/dbraw/zinc/29/89/65/387298965.db2.gz HBTSKXBBYCFFOL-UWVGGRQHSA-N 1 3 225.311 1.999 20 0 BDADHO CC(C)C[C@H](CO)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000360495655 387299997 /nfs/dbraw/zinc/29/99/97/387299997.db2.gz MMJRAWZSWRTWPV-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)C[C@H](CO)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000360495655 387300002 /nfs/dbraw/zinc/30/00/02/387300002.db2.gz MMJRAWZSWRTWPV-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO COCCC[C@@H](C)NC[C@H]1CCCC[NH2+]1 ZINC000643501528 387355160 /nfs/dbraw/zinc/35/51/60/387355160.db2.gz JPBWDGMJHCRTMU-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO CC[C@H]1CCC[N@H+](C[C@@](C)(O)CNC)CC1 ZINC000515305619 387361764 /nfs/dbraw/zinc/36/17/64/387361764.db2.gz CEBUMBFIBUJULP-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@H]1CCC[N@@H+](C[C@@](C)(O)CNC)CC1 ZINC000515305619 387361768 /nfs/dbraw/zinc/36/17/68/387361768.db2.gz CEBUMBFIBUJULP-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@H]1CCCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000515305619 387361774 /nfs/dbraw/zinc/36/17/74/387361774.db2.gz CEBUMBFIBUJULP-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO COCC1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000643502230 387364552 /nfs/dbraw/zinc/36/45/52/387364552.db2.gz AMCSRHGVJYDNKE-RUXDESIVSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CCO1 ZINC000423541641 387365421 /nfs/dbraw/zinc/36/54/21/387365421.db2.gz FSORKFKMSJTUTM-FDYHWXHSSA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@@H]1CCC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643502973 387367886 /nfs/dbraw/zinc/36/78/86/387367886.db2.gz WQKWIVHXXFQTLN-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423554128 387371893 /nfs/dbraw/zinc/37/18/93/387371893.db2.gz LBCIRYMMECJNSO-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)CN1C1CC1 ZINC000423553665 387372987 /nfs/dbraw/zinc/37/29/87/387372987.db2.gz KQNYHZJUQCXYLN-UPJWGTAASA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423566315 387376977 /nfs/dbraw/zinc/37/69/77/387376977.db2.gz UBUYHDUNTBABQD-MBNYWOFBSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H](N[C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H](C)[NH3+] ZINC000423473760 387319704 /nfs/dbraw/zinc/31/97/04/387319704.db2.gz QVXJDTOPYYFKRQ-MTVMDMGHSA-N 1 3 224.348 1.269 20 0 BDADHO Cc1nccnc1[C@H](C)NCCC[C@@H]1CCC[NH2+]1 ZINC000423485414 387331749 /nfs/dbraw/zinc/33/17/49/387331749.db2.gz ROAAOUPCAGVDHR-WCQYABFASA-N 1 3 248.374 1.968 20 0 BDADHO C(N[C@H]1CC[C@@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492241 387335203 /nfs/dbraw/zinc/33/52/03/387335203.db2.gz MHHOKGKKKMUIKT-MCIONIFRSA-N 1 3 238.375 1.533 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@@H](C)C1C[NH2+]C1 ZINC000423494996 387338748 /nfs/dbraw/zinc/33/87/48/387338748.db2.gz BFKSTDDLDMPEMD-XHDPSFHLSA-N 1 3 247.386 1.446 20 0 BDADHO CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1O ZINC000352665060 387425622 /nfs/dbraw/zinc/42/56/22/387425622.db2.gz DEVKFXBFFCBGPE-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CCO1 ZINC000515870082 387439011 /nfs/dbraw/zinc/43/90/11/387439011.db2.gz RBSNISWNQOXALV-YVECIDJPSA-N 1 3 226.364 1.804 20 0 BDADHO CCC[C@@H](C(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000423700679 387400902 /nfs/dbraw/zinc/40/09/02/387400902.db2.gz UQIWAUDJESFQFZ-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000423777455 387422764 /nfs/dbraw/zinc/42/27/64/387422764.db2.gz RJZYONYBBGUMRA-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000423777455 387422767 /nfs/dbraw/zinc/42/27/67/387422767.db2.gz RJZYONYBBGUMRA-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643475482 387508507 /nfs/dbraw/zinc/50/85/07/387508507.db2.gz YDIFFDUMNJPNOT-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@H](C)O1 ZINC000572463990 387515115 /nfs/dbraw/zinc/51/51/15/387515115.db2.gz MTLQLNRMAVHJNA-NZEXEKPDSA-N 1 3 226.364 1.802 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCCO1 ZINC000422701494 387615102 /nfs/dbraw/zinc/61/51/02/387615102.db2.gz IRQBZOUCVJNPTG-GARJFASQSA-N 1 3 200.326 1.271 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701027 387615702 /nfs/dbraw/zinc/61/57/02/387615702.db2.gz HWEKKYPFHVFWPT-MBJXGIAVSA-N 1 3 240.391 1.907 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422715144 387629419 /nfs/dbraw/zinc/62/94/19/387629419.db2.gz RVUBJJKFDAUQQX-UMSGYPCISA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422715144 387629421 /nfs/dbraw/zinc/62/94/21/387629421.db2.gz RVUBJJKFDAUQQX-UMSGYPCISA-N 1 3 228.380 1.371 20 0 BDADHO CCN(C)CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422708083 387622646 /nfs/dbraw/zinc/62/26/46/387622646.db2.gz BIVXBBUDJGFXOQ-RYUDHWBXSA-N 1 3 213.369 1.188 20 0 BDADHO C[C@@H](CCc1ccco1)NC[C@@H]([NH3+])C1CC1 ZINC000643516433 387623337 /nfs/dbraw/zinc/62/33/37/387623337.db2.gz CPBIAUGMYNHOJK-GXFFZTMASA-N 1 3 222.332 1.928 20 0 BDADHO C[C@H](NCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000122601728 387564956 /nfs/dbraw/zinc/56/49/56/387564956.db2.gz SDIWSHIGBCBRIN-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO CCCCN(C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422719459 387633088 /nfs/dbraw/zinc/63/30/88/387633088.db2.gz YEIBNUNKEXZUFT-STQMWFEESA-N 1 3 227.396 1.306 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(N(C)C)c1 ZINC000422721155 387633355 /nfs/dbraw/zinc/63/33/55/387633355.db2.gz UTFNKXSCDTVPAD-NWDGAFQWSA-N 1 3 235.375 1.968 20 0 BDADHO CC[C@H]1CCCCN1CCN[C@H](C)C1C[NH2+]C1 ZINC000422729320 387638433 /nfs/dbraw/zinc/63/84/33/387638433.db2.gz KKICXXWOTUECHC-OCCSQVGLSA-N 1 3 239.407 1.448 20 0 BDADHO COCCCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422734672 387643680 /nfs/dbraw/zinc/64/36/80/387643680.db2.gz UQAIJBDBHYLJTK-OCCSQVGLSA-N 1 3 236.359 1.571 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)c1cnccc1N)N(C)C ZINC000422745674 387649152 /nfs/dbraw/zinc/64/91/52/387649152.db2.gz VLKFOADZNOEVLE-ZJUUUORDSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@H](CN[C@@H](C)c1cnccc1N)[NH+](C)C ZINC000422745674 387649154 /nfs/dbraw/zinc/64/91/54/387649154.db2.gz VLKFOADZNOEVLE-ZJUUUORDSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccccc1 ZINC000422748161 387654123 /nfs/dbraw/zinc/65/41/23/387654123.db2.gz SHCUHOUMYXMPQV-FPMFFAJLSA-N 1 3 234.343 1.529 20 0 BDADHO CCCC[C@@H](COC)N[C@H](C)C1C[NH2+]C1 ZINC000422749840 387655355 /nfs/dbraw/zinc/65/53/55/387655355.db2.gz BCTOMCQACMIFHK-PWSUYJOCSA-N 1 3 214.353 1.389 20 0 BDADHO CCCC[C@@H](COC)[NH2+][C@H](C)C1CNC1 ZINC000422749840 387655356 /nfs/dbraw/zinc/65/53/56/387655356.db2.gz BCTOMCQACMIFHK-PWSUYJOCSA-N 1 3 214.353 1.389 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1F ZINC000422749847 387655488 /nfs/dbraw/zinc/65/54/88/387655488.db2.gz BDERMMGQPWAEHT-NWDGAFQWSA-N 1 3 238.306 1.674 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422750593 387655671 /nfs/dbraw/zinc/65/56/71/387655671.db2.gz DIWHNVIBZCRFSC-XQQFMLRXSA-N 1 3 225.380 1.058 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000422750269 387656937 /nfs/dbraw/zinc/65/69/37/387656937.db2.gz AJTWHVSZHYVMHJ-UTUOFQBUSA-N 1 3 248.326 1.296 20 0 BDADHO CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2N)CCCCC1 ZINC000422754431 387657781 /nfs/dbraw/zinc/65/77/81/387657781.db2.gz JPBQLAYVDAAEJM-CHWSQXEVSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422754421 387658288 /nfs/dbraw/zinc/65/82/88/387658288.db2.gz GZEKVJHDPAOWCL-NEPJUHHUSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422754421 387658293 /nfs/dbraw/zinc/65/82/93/387658293.db2.gz GZEKVJHDPAOWCL-NEPJUHHUSA-N 1 3 218.344 1.988 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000430887389 387659266 /nfs/dbraw/zinc/65/92/66/387659266.db2.gz FQMTYTKTCGXEMK-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000430887389 387659268 /nfs/dbraw/zinc/65/92/68/387659268.db2.gz FQMTYTKTCGXEMK-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO CSC[C@H](C)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422756899 387661559 /nfs/dbraw/zinc/66/15/59/387661559.db2.gz MCIMTRNJFXBYKF-DCAQKATOSA-N 1 3 216.394 1.988 20 0 BDADHO CCN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422759521 387663094 /nfs/dbraw/zinc/66/30/94/387663094.db2.gz PKCFATHUENIOKW-PIGZVRMJSA-N 1 3 237.391 1.343 20 0 BDADHO CCCC[C@H](COC)N[C@H](C)C[C@@H](C)[NH3+] ZINC000422761651 387663119 /nfs/dbraw/zinc/66/31/19/387663119.db2.gz RJVSAJFCVLFXOM-IJLUTSLNSA-N 1 3 216.369 1.907 20 0 BDADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422760689 387663548 /nfs/dbraw/zinc/66/35/48/387663548.db2.gz GYVKNACAFRDWLL-YVECIDJPSA-N 1 3 228.380 1.620 20 0 BDADHO CN(CCCN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422763479 387665101 /nfs/dbraw/zinc/66/51/01/387665101.db2.gz OSLAWVLVMDYTTL-CABCVRRESA-N 1 3 247.386 1.982 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1COc2ccccc2C1 ZINC000422775979 387671932 /nfs/dbraw/zinc/67/19/32/387671932.db2.gz CTSSMKVHYDBWSA-GVXVVHGQSA-N 1 3 234.343 1.706 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCC(C)CC1 ZINC000422777771 387674122 /nfs/dbraw/zinc/67/41/22/387674122.db2.gz GNPUAAYXSBKKSE-HZSPNIEDSA-N 1 3 239.407 1.576 20 0 BDADHO CC(C)COCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000422778734 387678064 /nfs/dbraw/zinc/67/80/64/387678064.db2.gz DXPMSUSROBPTGF-VXGBXAGGSA-N 1 3 216.369 1.765 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000422779440 387678703 /nfs/dbraw/zinc/67/87/03/387678703.db2.gz ISXZPFKVGDOLKA-QWHCGFSZSA-N 1 3 238.375 1.676 20 0 BDADHO CCO[C@@H]1C[C@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000422779440 387678709 /nfs/dbraw/zinc/67/87/09/387678709.db2.gz ISXZPFKVGDOLKA-QWHCGFSZSA-N 1 3 238.375 1.676 20 0 BDADHO COC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C(C)C ZINC000422781694 387680550 /nfs/dbraw/zinc/68/05/50/387680550.db2.gz MILHXGWNGFLXJQ-AVGNSLFASA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000422781694 387680555 /nfs/dbraw/zinc/68/05/55/387680555.db2.gz MILHXGWNGFLXJQ-AVGNSLFASA-N 1 3 228.380 1.635 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422780919 387681429 /nfs/dbraw/zinc/68/14/29/387681429.db2.gz KZCATSBKKSOJKA-JHJVBQTASA-N 1 3 228.380 1.501 20 0 BDADHO C[C@@H](NCCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422782307 387681436 /nfs/dbraw/zinc/68/14/36/387681436.db2.gz JTELBRZJIKBVIZ-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO C[C@@H]([NH2+]CCc1cccc(F)c1)C1CNC1 ZINC000422782307 387681441 /nfs/dbraw/zinc/68/14/41/387681441.db2.gz JTELBRZJIKBVIZ-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO CC(C)[C@@H](O)CCN[C@H]1CCC[NH2+]CC1 ZINC000422788117 387687437 /nfs/dbraw/zinc/68/74/37/387687437.db2.gz VGZBGBQAWVNOJL-RYUDHWBXSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@@H](O)CC[NH2+][C@H]1CCCNCC1 ZINC000422788117 387687440 /nfs/dbraw/zinc/68/74/40/387687440.db2.gz VGZBGBQAWVNOJL-RYUDHWBXSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000422786372 387687854 /nfs/dbraw/zinc/68/78/54/387687854.db2.gz QHFWCOJUYPUTIN-MROQNXINSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)Cc1ccccc1 ZINC000422743874 387691389 /nfs/dbraw/zinc/69/13/89/387691389.db2.gz SBJKNGHRDXAMTI-OUCADQQQSA-N 1 3 236.359 1.305 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)N1CCCC[C@H]1C ZINC000422860300 387743518 /nfs/dbraw/zinc/74/35/18/387743518.db2.gz LIWCHEHGOKFIAX-AGIUHOORSA-N 1 3 239.407 1.447 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)N1CCCC[C@@H]1C ZINC000422860301 387743608 /nfs/dbraw/zinc/74/36/08/387743608.db2.gz LIWCHEHGOKFIAX-AVGNSLFASA-N 1 3 239.407 1.447 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422868170 387748597 /nfs/dbraw/zinc/74/85/97/387748597.db2.gz UNGZQNWPYMNSAN-JHJVBQTASA-N 1 3 228.380 1.373 20 0 BDADHO COc1ccc(CC[C@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643526248 387749094 /nfs/dbraw/zinc/74/90/94/387749094.db2.gz WDKDUQJFKYKHDV-NEPJUHHUSA-N 1 3 236.359 1.953 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CN1C1CC1 ZINC000422871872 387749621 /nfs/dbraw/zinc/74/96/21/387749621.db2.gz ZXQXANVCUAXFRP-NMKXLXIOSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000422873050 387753633 /nfs/dbraw/zinc/75/36/33/387753633.db2.gz JPWNHOBGPIPSTR-DCAQKATOSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCC1(CCO)CCCC1 ZINC000422802692 387701203 /nfs/dbraw/zinc/70/12/03/387701203.db2.gz BSGKIDMWPWDWQU-QWHCGFSZSA-N 1 3 240.391 1.517 20 0 BDADHO CC(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422806259 387704773 /nfs/dbraw/zinc/70/47/73/387704773.db2.gz NESQBVUSSQOWSI-YNEHKIRRSA-N 1 3 228.380 1.765 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422806581 387705401 /nfs/dbraw/zinc/70/54/01/387705401.db2.gz IHKJZFYWSPESPV-STQMWFEESA-N 1 3 242.407 1.892 20 0 BDADHO CC[C@@H](NCCN1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422810218 387708420 /nfs/dbraw/zinc/70/84/20/387708420.db2.gz MZTLIPFACYBUKD-KGLIPLIRSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN(C)c1ccccc1 ZINC000422814778 387713474 /nfs/dbraw/zinc/71/34/74/387713474.db2.gz WBBIPPGBKFVHAV-STQMWFEESA-N 1 3 235.375 1.838 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790430 387714550 /nfs/dbraw/zinc/71/45/50/387714550.db2.gz OGEZLYQZONGGLN-QPPOZKHWSA-N 1 3 236.359 1.382 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790430 387714557 /nfs/dbraw/zinc/71/45/57/387714557.db2.gz OGEZLYQZONGGLN-QPPOZKHWSA-N 1 3 236.359 1.382 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000127491125 387716558 /nfs/dbraw/zinc/71/65/58/387716558.db2.gz HQXKSUSEKWSSAB-MCIONIFRSA-N 1 3 241.423 1.789 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000422820266 387717784 /nfs/dbraw/zinc/71/77/84/387717784.db2.gz PSSNENWBHBVAMP-IJLUTSLNSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOCc1ccccc1 ZINC000422825000 387720926 /nfs/dbraw/zinc/72/09/26/387720926.db2.gz OVRAXVUOGNXEFO-QWHCGFSZSA-N 1 3 236.359 1.919 20 0 BDADHO CNC(=O)c1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422826426 387721031 /nfs/dbraw/zinc/72/10/31/387721031.db2.gz LKTGAVBAHWUGHI-WDEREUQCSA-N 1 3 249.358 1.262 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422828117 387724274 /nfs/dbraw/zinc/72/42/74/387724274.db2.gz SVVDCGCXIUNUDV-ZIAGYGMSSA-N 1 3 241.423 1.968 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127794308 387724668 /nfs/dbraw/zinc/72/46/68/387724668.db2.gz CCOCOJRQQBETMJ-DGAVXFQQSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127794308 387724675 /nfs/dbraw/zinc/72/46/75/387724675.db2.gz CCOCOJRQQBETMJ-DGAVXFQQSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](NCCc1cc(F)ccc1F)C1C[NH2+]C1 ZINC000422834510 387726592 /nfs/dbraw/zinc/72/65/92/387726592.db2.gz ZRWJELQCVZQUHI-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO C[C@H]([NH2+]CCc1cc(F)ccc1F)C1CNC1 ZINC000422834510 387726594 /nfs/dbraw/zinc/72/65/94/387726594.db2.gz ZRWJELQCVZQUHI-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO CO[C@H]1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000643523528 387729965 /nfs/dbraw/zinc/72/99/65/387729965.db2.gz RGMMZRXFYMNPBM-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO COC1CCC(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000422841719 387731099 /nfs/dbraw/zinc/73/10/99/387731099.db2.gz WRSWCUZNNIEZQX-IALDZJHCSA-N 1 3 228.380 1.907 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CCC1 ZINC000422847147 387735552 /nfs/dbraw/zinc/73/55/52/387735552.db2.gz HLPHGTCHPUPFMG-JHJVBQTASA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H](NCCN1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422857399 387740055 /nfs/dbraw/zinc/74/00/55/387740055.db2.gz HIVKSHLLFYIYLF-VXGBXAGGSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H](NCCN1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422857397 387742133 /nfs/dbraw/zinc/74/21/33/387742133.db2.gz HIVKSHLLFYIYLF-NWDGAFQWSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](NCCN1[C@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892433 387763343 /nfs/dbraw/zinc/76/33/43/387763343.db2.gz YNYLHUIDMYPZCY-XQQFMLRXSA-N 1 3 239.407 1.447 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000129107681 387764522 /nfs/dbraw/zinc/76/45/22/387764522.db2.gz DBNRQVQADPTEBZ-IGQOVBAYSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1ccc(F)cn1 ZINC000422897505 387766707 /nfs/dbraw/zinc/76/67/07/387766707.db2.gz ZVUMFCCOGWAPEE-SNVBAGLBSA-N 1 3 225.311 1.828 20 0 BDADHO C[C@H]([NH2+]CCCc1cccc(F)c1)C1CNC1 ZINC000422910061 387769247 /nfs/dbraw/zinc/76/92/47/387769247.db2.gz PPARHIDAWVZSKK-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO C[C@H](NCCCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422910061 387769249 /nfs/dbraw/zinc/76/92/49/387769249.db2.gz PPARHIDAWVZSKK-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909505 387769361 /nfs/dbraw/zinc/76/93/61/387769361.db2.gz OEZNWYRHNOBTCS-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422909500 387769632 /nfs/dbraw/zinc/76/96/32/387769632.db2.gz OEZNWYRHNOBTCS-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO CCN1CCCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422909501 387769931 /nfs/dbraw/zinc/76/99/31/387769931.db2.gz OEZNWYRHNOBTCS-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccccc1 ZINC000422914072 387772137 /nfs/dbraw/zinc/77/21/37/387772137.db2.gz RKSZWYYXYQJKBD-NEPJUHHUSA-N 1 3 249.358 1.132 20 0 BDADHO C[C@@H](N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000643529245 387772586 /nfs/dbraw/zinc/77/25/86/387772586.db2.gz XNCSBEDQPZWJNZ-PELKAZGASA-N 1 3 208.280 1.750 20 0 BDADHO CC(C)C1(C[NH2+][C@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422919336 387775590 /nfs/dbraw/zinc/77/55/90/387775590.db2.gz JPUOQAONGWAHGR-AVGNSLFASA-N 1 3 240.391 1.765 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422921639 387775852 /nfs/dbraw/zinc/77/58/52/387775852.db2.gz OJNVIQBODHQDHY-AGIUHOORSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCC(C)(C)C ZINC000422925923 387780048 /nfs/dbraw/zinc/78/00/48/387780048.db2.gz BWUJKIULOOOYEQ-SDDRHHMPSA-N 1 3 228.380 1.765 20 0 BDADHO CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422932514 387781702 /nfs/dbraw/zinc/78/17/02/387781702.db2.gz ZITDCBXMLWGBHF-JHJVBQTASA-N 1 3 240.391 1.909 20 0 BDADHO COC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422937542 387783544 /nfs/dbraw/zinc/78/35/44/387783544.db2.gz OFHOFLWDWSTUIJ-KKZNHRDASA-N 1 3 200.326 1.127 20 0 BDADHO CCOCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422902169 387787578 /nfs/dbraw/zinc/78/75/78/387787578.db2.gz TXNAAWZBKFVTDT-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000422982435 387794681 /nfs/dbraw/zinc/79/46/81/387794681.db2.gz WTQBQBZXBKCTEM-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000422989720 387798828 /nfs/dbraw/zinc/79/88/28/387798828.db2.gz BGEWDJPQRQCFMH-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO Cc1ccccc1OCC[NH2+][C@H]1CCC[C@H]1N ZINC000422949132 387806542 /nfs/dbraw/zinc/80/65/42/387806542.db2.gz SXEAOARCCSPUHE-OLZOCXBDSA-N 1 3 234.343 1.843 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNc1ccccn1 ZINC000423001947 387806828 /nfs/dbraw/zinc/80/68/28/387806828.db2.gz FJARAAIDSJSRCF-STQMWFEESA-N 1 3 248.374 1.601 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423001947 387806833 /nfs/dbraw/zinc/80/68/33/387806833.db2.gz FJARAAIDSJSRCF-STQMWFEESA-N 1 3 248.374 1.601 20 0 BDADHO Fc1cccc(OCC[NH2+]C2CCNCC2)c1 ZINC000422949625 387807125 /nfs/dbraw/zinc/80/71/25/387807125.db2.gz UPCFOVQMJFJTKD-UHFFFAOYSA-N 1 3 238.306 1.546 20 0 BDADHO CC1(C)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422954435 387809437 /nfs/dbraw/zinc/80/94/37/387809437.db2.gz IRUWPBVSAJBHAR-WSMDXJOWSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@@H](NCCN(C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422880874 387757535 /nfs/dbraw/zinc/75/75/35/387757535.db2.gz PEAXIEQMZNPQPA-OLZOCXBDSA-N 1 3 227.396 1.447 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000422881239 387758462 /nfs/dbraw/zinc/75/84/62/387758462.db2.gz YKGOECCRRMITJM-IJLUTSLNSA-N 1 3 228.405 1.860 20 0 BDADHO CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423070486 387872914 /nfs/dbraw/zinc/87/29/14/387872914.db2.gz CVBYEHVOZLAHST-GRYCIOLGSA-N 1 3 228.380 1.765 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000567110351 387824618 /nfs/dbraw/zinc/82/46/18/387824618.db2.gz AEODSVSDQFAYOH-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000567110351 387824623 /nfs/dbraw/zinc/82/46/23/387824623.db2.gz AEODSVSDQFAYOH-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000423004630 387825442 /nfs/dbraw/zinc/82/54/42/387825442.db2.gz KKGZGVCRNHRRBL-SYQHCUMBSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[C@@H](O)C1 ZINC000423003566 387826707 /nfs/dbraw/zinc/82/67/07/387826707.db2.gz HXWKKHKFXUJYRP-XQHKEYJVSA-N 1 3 226.364 1.125 20 0 BDADHO COc1cccc(CCN[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000423005027 387827177 /nfs/dbraw/zinc/82/71/77/387827177.db2.gz LMTJHSRFCARNSM-MNOVXSKESA-N 1 3 237.347 1.348 20 0 BDADHO COc1cccc(CC[NH2+][C@@H](C)C[C@@H](C)N)n1 ZINC000423005027 387827179 /nfs/dbraw/zinc/82/71/79/387827179.db2.gz LMTJHSRFCARNSM-MNOVXSKESA-N 1 3 237.347 1.348 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1c[nH]c2ncccc12 ZINC000423005606 387827991 /nfs/dbraw/zinc/82/79/91/387827991.db2.gz SKYLTZIALDKPDY-QWHCGFSZSA-N 1 3 244.342 1.575 20 0 BDADHO C[C@H](NC[C@H]1CCC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423010103 387834604 /nfs/dbraw/zinc/83/46/04/387834604.db2.gz WYYTUBNNADSIGZ-XUXIUFHCSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1cnccc1CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423012554 387835323 /nfs/dbraw/zinc/83/53/23/387835323.db2.gz KWNLIQCRHOQURD-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cnccc1CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423012554 387835328 /nfs/dbraw/zinc/83/53/28/387835328.db2.gz KWNLIQCRHOQURD-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(CO)CC1 ZINC000643459237 387836543 /nfs/dbraw/zinc/83/65/43/387836543.db2.gz AOYXMERDMBDUFJ-TZMCWYRMSA-N 1 3 248.370 1.307 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCCC(C)(C)C1 ZINC000423073291 387873517 /nfs/dbraw/zinc/87/35/17/387873517.db2.gz ILRJBRDONHMLGS-STQMWFEESA-N 1 3 241.423 1.824 20 0 BDADHO CC[C@H](CSC)[NH2+][C@H](C)C[C@@H](C)N ZINC000423018494 387841865 /nfs/dbraw/zinc/84/18/65/387841865.db2.gz RFIXSBRTTJGAIV-OPRDCNLKSA-N 1 3 204.383 1.843 20 0 BDADHO CC[C@H](CSC)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423018494 387841868 /nfs/dbraw/zinc/84/18/68/387841868.db2.gz RFIXSBRTTJGAIV-OPRDCNLKSA-N 1 3 204.383 1.843 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H](O)CCc1ccccc1 ZINC000423026163 387843919 /nfs/dbraw/zinc/84/39/19/387843919.db2.gz AUSUGHWISPWTIG-RBSFLKMASA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459639 387847031 /nfs/dbraw/zinc/84/70/31/387847031.db2.gz IGSIEAZUTOMHQG-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)C2CNC2)CCO1 ZINC000423039930 387854049 /nfs/dbraw/zinc/85/40/49/387854049.db2.gz GFRFJGXFGOJQHH-IACUBPJLSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H](CO)c1ccsc1 ZINC000423049339 387858209 /nfs/dbraw/zinc/85/82/09/387858209.db2.gz JPLZYNZXBLYZEP-PWSUYJOCSA-N 1 3 242.388 1.889 20 0 BDADHO CN1C[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2C1 ZINC000193640724 387860024 /nfs/dbraw/zinc/86/00/24/387860024.db2.gz LWLKBRPMSDMSOL-OKILXGFUSA-N 1 3 246.354 1.559 20 0 BDADHO CN1C[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2C1 ZINC000193640724 387860028 /nfs/dbraw/zinc/86/00/28/387860028.db2.gz LWLKBRPMSDMSOL-OKILXGFUSA-N 1 3 246.354 1.559 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423053181 387861130 /nfs/dbraw/zinc/86/11/30/387861130.db2.gz RGKBWHHBNPCOME-VGMNWLOBSA-N 1 3 224.270 1.902 20 0 BDADHO C[C@@H](O)CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000433080253 387861406 /nfs/dbraw/zinc/86/14/06/387861406.db2.gz ASKGRZNVWFRLTD-GFCCVEGCSA-N 1 3 242.407 2.000 20 0 BDADHO C[C@@H](O)CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000433080253 387861409 /nfs/dbraw/zinc/86/14/09/387861409.db2.gz ASKGRZNVWFRLTD-GFCCVEGCSA-N 1 3 242.407 2.000 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@@H](CCO)c1ccco1 ZINC000423055953 387862127 /nfs/dbraw/zinc/86/21/27/387862127.db2.gz XHFYWTOULOTGIC-RYUDHWBXSA-N 1 3 240.347 1.810 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ncccc1F ZINC000423002903 387862737 /nfs/dbraw/zinc/86/27/37/387862737.db2.gz ZUJLYBXLKMPPKE-GHMZBOCLSA-N 1 3 239.294 1.069 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCNCC2)C1(C)C ZINC000423053974 387863008 /nfs/dbraw/zinc/86/30/08/387863008.db2.gz TZCVTJZCWPPDLH-OLZOCXBDSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NC2CC[NH2+]CC2)C1(C)C ZINC000423053974 387863014 /nfs/dbraw/zinc/86/30/14/387863014.db2.gz TZCVTJZCWPPDLH-OLZOCXBDSA-N 1 3 240.391 1.920 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000423059217 387864660 /nfs/dbraw/zinc/86/46/60/387864660.db2.gz FIHJZLVYPXSGDJ-RFGFWPKPSA-N 1 3 240.391 1.645 20 0 BDADHO CN(C)C1(C[NH2+][C@H]2CCCCC[C@@H]2N)CCC1 ZINC000423059076 387866130 /nfs/dbraw/zinc/86/61/30/387866130.db2.gz KZKYYYBPETXQRN-STQMWFEESA-N 1 3 239.407 1.720 20 0 BDADHO CC(C)[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C(C)(C)O ZINC000423068268 387869438 /nfs/dbraw/zinc/86/94/38/387869438.db2.gz BIZMPDLJWWTZGG-VWYCJHECSA-N 1 3 216.369 1.497 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000423071791 387872011 /nfs/dbraw/zinc/87/20/11/387872011.db2.gz OVZLSVOYCDHDQP-RVMXOQNASA-N 1 3 226.364 1.532 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(CO)cc1 ZINC000643478218 387815842 /nfs/dbraw/zinc/81/58/42/387815842.db2.gz FVMHSBAQQWTISF-ZIAGYGMSSA-N 1 3 234.343 1.191 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccccc1O ZINC000422967222 387816802 /nfs/dbraw/zinc/81/68/02/387816802.db2.gz BSSWQIHBADUVSM-JSGCOSHPSA-N 1 3 248.370 1.912 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422969731 387819581 /nfs/dbraw/zinc/81/95/81/387819581.db2.gz DKACSLRJIUZNGR-XUXIUFHCSA-N 1 3 238.375 1.685 20 0 BDADHO COCC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423116279 387898987 /nfs/dbraw/zinc/89/89/87/387898987.db2.gz PDEMUCTZDQAMAN-VXGBXAGGSA-N 1 3 226.364 1.391 20 0 BDADHO CSC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000423082705 387878578 /nfs/dbraw/zinc/87/85/78/387878578.db2.gz FPWRWKBSWNBVCS-QWRGUYRKSA-N 1 3 228.405 1.860 20 0 BDADHO CSC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCC1 ZINC000423087717 387880639 /nfs/dbraw/zinc/88/06/39/387880639.db2.gz OTOHXJGDQCNQEV-ZJUUUORDSA-N 1 3 216.394 1.988 20 0 BDADHO CSC1(CN[C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423087717 387880641 /nfs/dbraw/zinc/88/06/41/387880641.db2.gz OTOHXJGDQCNQEV-ZJUUUORDSA-N 1 3 216.394 1.988 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CC=CCC1 ZINC000423092570 387882809 /nfs/dbraw/zinc/88/28/09/387882809.db2.gz CKECKUNGSWDBOS-ZIAGYGMSSA-N 1 3 237.391 1.498 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H](CO)CCC(C)(C)C ZINC000423099890 387886335 /nfs/dbraw/zinc/88/63/35/387886335.db2.gz UOFJQFOHSOVHNM-SRVKXCTJSA-N 1 3 230.396 1.889 20 0 BDADHO CO[C@H]1CCCC[C@@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423118001 387899252 /nfs/dbraw/zinc/89/92/52/387899252.db2.gz YBEIFGLXSUAMHU-USWWRNFRSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000423118001 387899257 /nfs/dbraw/zinc/89/92/57/387899257.db2.gz YBEIFGLXSUAMHU-USWWRNFRSA-N 1 3 212.337 1.142 20 0 BDADHO OC[C@@H](CC1CCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423122437 387903256 /nfs/dbraw/zinc/90/32/56/387903256.db2.gz CEVZMMNMMPAUGI-QNMSZWNNSA-N 1 3 238.375 1.410 20 0 BDADHO CO[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423126074 387904778 /nfs/dbraw/zinc/90/47/78/387904778.db2.gz APFCDQNFECNUPZ-FRRDWIJNSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H](CO)CC1CCC1 ZINC000423130153 387906604 /nfs/dbraw/zinc/90/66/04/387906604.db2.gz MOXQEZIWFNJWIA-UMNHJUIQSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1COc2ccccc21 ZINC000423129611 387908031 /nfs/dbraw/zinc/90/80/31/387908031.db2.gz XGJSLCAZMGDVPJ-SRVKXCTJSA-N 1 3 234.343 1.878 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000423129611 387908036 /nfs/dbraw/zinc/90/80/36/387908036.db2.gz XGJSLCAZMGDVPJ-SRVKXCTJSA-N 1 3 234.343 1.878 20 0 BDADHO CCC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])OC ZINC000423144170 387919554 /nfs/dbraw/zinc/91/95/54/387919554.db2.gz GFGWTFPZTBVXAY-QNWHQSFQSA-N 1 3 244.379 1.143 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131421 387909622 /nfs/dbraw/zinc/90/96/22/387909622.db2.gz SVMGAPUCXBKICZ-ZDEQEGDKSA-N 1 3 228.380 1.501 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000423135928 387913224 /nfs/dbraw/zinc/91/32/24/387913224.db2.gz YKHIEJRUXKDHDS-BJDJZHNGSA-N 1 3 214.328 1.984 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151252 387929626 /nfs/dbraw/zinc/92/96/26/387929626.db2.gz CEZKPZRAOFFUHZ-NDBYEHHHSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155701 387933850 /nfs/dbraw/zinc/93/38/50/387933850.db2.gz LIIOAYCKNHOFDW-VXGBXAGGSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423155992 387934098 /nfs/dbraw/zinc/93/40/98/387934098.db2.gz KJTCLAPGLDPNNC-JHJVBQTASA-N 1 3 228.380 1.373 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423154839 387934604 /nfs/dbraw/zinc/93/46/04/387934604.db2.gz KDEIHARKUHFWGZ-KKOKHZNYSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@H]1CCCC[C@@H]1O ZINC000423154839 387934607 /nfs/dbraw/zinc/93/46/07/387934607.db2.gz KDEIHARKUHFWGZ-KKOKHZNYSA-N 1 3 214.353 1.253 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H](C)C[C@@H](C)[NH3+])OC ZINC000423155051 387935094 /nfs/dbraw/zinc/93/50/94/387935094.db2.gz ISMSACMNQKXLFJ-QCNOEVLYSA-N 1 3 216.369 1.763 20 0 BDADHO CCC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423142696 387921163 /nfs/dbraw/zinc/92/11/63/387921163.db2.gz BFMPDWANDRQTTK-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)OC ZINC000423142696 387921166 /nfs/dbraw/zinc/92/11/66/387921166.db2.gz BFMPDWANDRQTTK-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423168116 387952436 /nfs/dbraw/zinc/95/24/36/387952436.db2.gz GSZUAXDHCUFGQU-MEBFFEOJSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423168116 387952440 /nfs/dbraw/zinc/95/24/40/387952440.db2.gz GSZUAXDHCUFGQU-MEBFFEOJSA-N 1 3 240.391 1.763 20 0 BDADHO COCC[C@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171411 387956060 /nfs/dbraw/zinc/95/60/60/387956060.db2.gz OITYWNWIDJJVBT-YNEHKIRRSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)CO ZINC000423160026 387940719 /nfs/dbraw/zinc/94/07/19/387940719.db2.gz QHNVXTRJGNNUSU-VXGBXAGGSA-N 1 3 228.380 1.373 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCCCN2)cn1 ZINC000423159561 387942139 /nfs/dbraw/zinc/94/21/39/387942139.db2.gz FXPVETIJAAMJAA-GXTWGEPZSA-N 1 3 248.374 1.448 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000423162384 387944296 /nfs/dbraw/zinc/94/42/96/387944296.db2.gz KXZTYCDMXMFVCE-LPWJVIDDSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCNCC[C@H]2C)O1 ZINC000423162384 387944300 /nfs/dbraw/zinc/94/43/00/387944300.db2.gz KXZTYCDMXMFVCE-LPWJVIDDSA-N 1 3 226.364 1.532 20 0 BDADHO COCC[C@@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171407 387956258 /nfs/dbraw/zinc/95/62/58/387956258.db2.gz OITYWNWIDJJVBT-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO CCN(C)C(=O)[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423163985 387945785 /nfs/dbraw/zinc/94/57/85/387945785.db2.gz WIQCOMIWYQCKDX-SRVKXCTJSA-N 1 3 243.395 1.205 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCC[C@@H]2CCOC2)C1 ZINC000645802430 387946572 /nfs/dbraw/zinc/94/65/72/387946572.db2.gz MVTPCVHTVDMUBU-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165530 387947924 /nfs/dbraw/zinc/94/79/24/387947924.db2.gz YIWPBXNRFNDZNT-YIYPIFLZSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000423165721 387948523 /nfs/dbraw/zinc/94/85/23/387948523.db2.gz QEVVMHUCPSCKPZ-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)C1CCC1 ZINC000423165721 387948527 /nfs/dbraw/zinc/94/85/27/387948527.db2.gz QEVVMHUCPSCKPZ-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C2CNC2)CCCC1 ZINC000423165029 387948730 /nfs/dbraw/zinc/94/87/30/387948730.db2.gz PJCRMAWFVNWDFE-NSHDSACASA-N 1 3 226.364 1.391 20 0 BDADHO COc1cccc2c1C[C@H](N[C@@H]1CCC[C@H]1[NH3+])C2 ZINC000423170911 387956393 /nfs/dbraw/zinc/95/63/93/387956393.db2.gz NDEKUZZXBKJJLT-MRVWCRGKSA-N 1 3 246.354 1.632 20 0 BDADHO C[C@@H](NC[C@@H](C)CCCO)[C@@H]1CCCC[NH2+]1 ZINC000423166000 387949438 /nfs/dbraw/zinc/94/94/38/387949438.db2.gz YSWSZXKZAQTCKQ-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])C12CCC2 ZINC000423170295 387958220 /nfs/dbraw/zinc/95/82/20/387958220.db2.gz LOERFLUXBFCNFU-FIQHERPVSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)C12CCC2 ZINC000423170295 387958225 /nfs/dbraw/zinc/95/82/25/387958225.db2.gz LOERFLUXBFCNFU-FIQHERPVSA-N 1 3 226.364 1.659 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423172456 387959623 /nfs/dbraw/zinc/95/96/23/387959623.db2.gz SYZYMNWRSYNGIA-YNEHKIRRSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H]([NH2+]C1(C2CCC2)CCC1)C1CNC1 ZINC000423171609 387959626 /nfs/dbraw/zinc/95/96/26/387959626.db2.gz PDZCGWSLSMHMGS-JTQLQIEISA-N 1 3 208.349 1.907 20 0 BDADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000423179174 387966302 /nfs/dbraw/zinc/96/63/02/387966302.db2.gz HHKIXEUTIWHDIZ-WXHSDQCUSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]([NH2+]CCN)c1ccccc1N(C)C ZINC000423179161 387966530 /nfs/dbraw/zinc/96/65/30/387966530.db2.gz HGRSRNOZPXTRIO-JTQLQIEISA-N 1 3 207.321 1.362 20 0 BDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCC[C@H]1F ZINC000423184938 387969216 /nfs/dbraw/zinc/96/92/16/387969216.db2.gz NPUWUWNYYDTAOJ-QJPTWQEYSA-N 1 3 232.343 1.611 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000423189421 387973834 /nfs/dbraw/zinc/97/38/34/387973834.db2.gz QZRXKLRVYMCQML-MCIGGMRASA-N 1 3 212.337 1.143 20 0 BDADHO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCC[NH3+] ZINC000423189222 387974403 /nfs/dbraw/zinc/97/44/03/387974403.db2.gz QPDCNXZGSJZGQZ-UONOGXRCSA-N 1 3 248.370 1.919 20 0 BDADHO CC(C)O[C@H]1C[C@H](NCC[NH3+])C1(C)C ZINC000423190982 387976198 /nfs/dbraw/zinc/97/61/98/387976198.db2.gz TXHNALKLABGQQA-UWVGGRQHSA-N 1 3 200.326 1.127 20 0 BDADHO C[NH2+]CCCN[C@H](COC)C1CCCC1 ZINC000423205971 387992027 /nfs/dbraw/zinc/99/20/27/387992027.db2.gz WNLFIODKLCRVLK-GFCCVEGCSA-N 1 3 214.353 1.391 20 0 BDADHO CCn1ccnc1[C@@H](C)NCCCC[NH+](C)C ZINC000453089201 387982123 /nfs/dbraw/zinc/98/21/23/387982123.db2.gz NODLMHSJVDXXLT-GFCCVEGCSA-N 1 3 238.379 1.895 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423218665 387999628 /nfs/dbraw/zinc/99/96/28/387999628.db2.gz SFGPWMJKNDVCMX-YNEHKIRRSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000423222744 388003720 /nfs/dbraw/zinc/00/37/20/388003720.db2.gz CHYMSGVPUHPIPA-UWVGGRQHSA-N 1 3 216.394 1.845 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)N ZINC000423226214 388009546 /nfs/dbraw/zinc/00/95/46/388009546.db2.gz PTTMLAWQXAQTTN-WOPDTQHZSA-N 1 3 214.353 1.519 20 0 BDADHO C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCOC2)CN1 ZINC000423210330 387996159 /nfs/dbraw/zinc/99/61/59/387996159.db2.gz HKCRTAXGVWBOMN-RQJABVFESA-N 1 3 238.375 1.533 20 0 BDADHO CCN1C[C@@H](C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216105 387996633 /nfs/dbraw/zinc/99/66/33/387996633.db2.gz PLCPOCSXHZXXPX-SYCZCVCYSA-N 1 3 237.391 1.199 20 0 BDADHO COCC[C@@H]1CCC[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423230872 388015164 /nfs/dbraw/zinc/01/51/64/388015164.db2.gz FMLLWODLBMXIGT-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCN1 ZINC000423230872 388015167 /nfs/dbraw/zinc/01/51/67/388015167.db2.gz FMLLWODLBMXIGT-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO COCC1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000423232225 388017204 /nfs/dbraw/zinc/01/72/04/388017204.db2.gz HVQXUSVRTHXCII-BPCQOVAHSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255628 388036501 /nfs/dbraw/zinc/03/65/01/388036501.db2.gz AKHHDPNJLBFJQV-NWDGAFQWSA-N 1 3 236.363 1.460 20 0 BDADHO Cn1ccnc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446887427 388044170 /nfs/dbraw/zinc/04/41/70/388044170.db2.gz SPYCDBHAUCXRDU-UHFFFAOYSA-N 1 3 248.374 1.384 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423246581 388029869 /nfs/dbraw/zinc/02/98/69/388029869.db2.gz NZXRWDFDARJOPK-FRRDWIJNSA-N 1 3 226.364 1.391 20 0 BDADHO [NH3+]C[C@H](N[C@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274961 388054817 /nfs/dbraw/zinc/05/48/17/388054817.db2.gz KZPNUXVGFQMURN-KBPBESRZSA-N 1 3 246.354 1.707 20 0 BDADHO COC[C@H](NC[C@H]([NH3+])C(C)C)C(C)C ZINC000423274187 388055025 /nfs/dbraw/zinc/05/50/25/388055025.db2.gz LNURKHDFWUUESR-QWRGUYRKSA-N 1 3 202.342 1.230 20 0 BDADHO C[C@@H]1C[C@H](NCC[C@@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274937 388055748 /nfs/dbraw/zinc/05/57/48/388055748.db2.gz MPHPOEYBYXCOPW-AGIUHOORSA-N 1 3 248.374 1.868 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423275560 388056345 /nfs/dbraw/zinc/05/63/45/388056345.db2.gz LTNPUVOKDLCLKZ-WHOHXGKFSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCSC1 ZINC000261527409 135152240 /nfs/dbraw/zinc/15/22/40/135152240.db2.gz AVZOJQYGYCJSHS-GMTAPVOTSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCSC1 ZINC000261527409 135152242 /nfs/dbraw/zinc/15/22/42/135152242.db2.gz AVZOJQYGYCJSHS-GMTAPVOTSA-N 1 3 214.378 1.409 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@H](Cn1cccn1)C(C)C ZINC000423285924 388068471 /nfs/dbraw/zinc/06/84/71/388068471.db2.gz ZTXNTHMRRFCVMN-CHWSQXEVSA-N 1 3 238.379 1.481 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H](C)C[NH2+]C)C12CCC2 ZINC000423285038 388069832 /nfs/dbraw/zinc/06/98/32/388069832.db2.gz ZFADSKDUEDFEEO-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C12CCC2 ZINC000423286855 388071430 /nfs/dbraw/zinc/07/14/30/388071430.db2.gz JDGFZFKOCHIISQ-GHMZBOCLSA-N 1 3 226.364 1.661 20 0 BDADHO CCO[C@H]1C[C@@H](NCC(C)(C)[NH3+])C12CCC2 ZINC000423286856 388072056 /nfs/dbraw/zinc/07/20/56/388072056.db2.gz JDGFZFKOCHIISQ-MNOVXSKESA-N 1 3 226.364 1.661 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccnc1 ZINC000084215725 388073426 /nfs/dbraw/zinc/07/34/26/388073426.db2.gz CMAJMEOLUJCZDF-OLZOCXBDSA-N 1 3 219.332 1.689 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1cccnc1 ZINC000084219906 388075306 /nfs/dbraw/zinc/07/53/06/388075306.db2.gz ABSDZPVOZVRCTE-CHWSQXEVSA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1cccnc1 ZINC000084219906 388075309 /nfs/dbraw/zinc/07/53/09/388075309.db2.gz ABSDZPVOZVRCTE-CHWSQXEVSA-N 1 3 219.332 1.341 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423297369 388079474 /nfs/dbraw/zinc/07/94/74/388079474.db2.gz KAJOYTAACUWRRW-YVECIDJPSA-N 1 3 238.375 1.519 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403150 388101582 /nfs/dbraw/zinc/10/15/82/388101582.db2.gz FICWTUPZLYAVQX-WOPDTQHZSA-N 1 3 222.336 1.131 20 0 BDADHO CC(C)OCCCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495172 388103573 /nfs/dbraw/zinc/10/35/73/388103573.db2.gz YKBLRDCPEFMJQT-OLZOCXBDSA-N 1 3 228.380 1.922 20 0 BDADHO NC[C@@H]([NH2+][C@H]1CCCc2occc21)C1CC1 ZINC000423268796 388047038 /nfs/dbraw/zinc/04/70/38/388047038.db2.gz DYSIOFPNTCVLJR-NWDGAFQWSA-N 1 3 220.316 1.984 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423268126 388047921 /nfs/dbraw/zinc/04/79/21/388047921.db2.gz GBSBTFYVQLHLBL-BXUZGUMPSA-N 1 3 236.359 1.813 20 0 BDADHO CCCCOCCC[NH2+]C1CCNCC1 ZINC000197113303 388117817 /nfs/dbraw/zinc/11/78/17/388117817.db2.gz PZNRSYXPYAOMMQ-UHFFFAOYSA-N 1 3 214.353 1.535 20 0 BDADHO CCCCOCCCNC1CC[NH2+]CC1 ZINC000197113303 388117819 /nfs/dbraw/zinc/11/78/19/388117819.db2.gz PZNRSYXPYAOMMQ-UHFFFAOYSA-N 1 3 214.353 1.535 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000449605709 388240897 /nfs/dbraw/zinc/24/08/97/388240897.db2.gz WZRIGPWVFMTVSW-MNOVXSKESA-N 1 3 249.358 1.214 20 0 BDADHO CCC[C@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449618798 388244443 /nfs/dbraw/zinc/24/44/43/388244443.db2.gz LQUJYMRIVVDVDE-LBPRGKRZSA-N 1 3 235.331 1.472 20 0 BDADHO C[C@@H](C[NH2+]Cc1cccc2c[nH]nc21)CN(C)C ZINC000491597954 388304813 /nfs/dbraw/zinc/30/48/13/388304813.db2.gz AUQWZADBJQTFIW-NSHDSACASA-N 1 3 246.358 1.850 20 0 BDADHO Cn1nccc1CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000300066178 388348456 /nfs/dbraw/zinc/34/84/56/388348456.db2.gz QBMLAGXPFHSJDH-FPMFFAJLSA-N 1 3 248.374 1.022 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000233768436 388348657 /nfs/dbraw/zinc/34/86/57/388348657.db2.gz JUEMYVUTQZZUES-LPEHRKFASA-N 1 3 200.326 1.127 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOCC1CC1 ZINC000236216947 388378793 /nfs/dbraw/zinc/37/87/93/388378793.db2.gz GMWSAGRMXLCSMO-NWDGAFQWSA-N 1 3 212.337 1.130 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOCC1CC1 ZINC000236216947 388378797 /nfs/dbraw/zinc/37/87/97/388378797.db2.gz GMWSAGRMXLCSMO-NWDGAFQWSA-N 1 3 212.337 1.130 20 0 BDADHO CCCC[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236757683 388382361 /nfs/dbraw/zinc/38/23/61/388382361.db2.gz UZRZHTTYYIYDDD-RYUDHWBXSA-N 1 3 243.395 1.336 20 0 BDADHO NCc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000646578870 388388989 /nfs/dbraw/zinc/38/89/89/388388989.db2.gz IACFUHHHEKUYJM-NSHDSACASA-N 1 3 233.315 1.083 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC1(C)C)CN(C)C ZINC000336901790 388442023 /nfs/dbraw/zinc/44/20/23/388442023.db2.gz SWUKTWPQCDEHED-MNOVXSKESA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H](CN[C@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901790 388442026 /nfs/dbraw/zinc/44/20/26/388442026.db2.gz SWUKTWPQCDEHED-MNOVXSKESA-N 1 3 214.353 1.341 20 0 BDADHO C[N@H+](C[C@@H](O)CN1CCC(C)(C)C1)C1CC1 ZINC000336659584 388460560 /nfs/dbraw/zinc/46/05/60/388460560.db2.gz NGRFVYFJAGBNAX-GFCCVEGCSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+](C[C@@H](O)CN1CCC(C)(C)C1)C1CC1 ZINC000336659584 388460563 /nfs/dbraw/zinc/46/05/63/388460563.db2.gz NGRFVYFJAGBNAX-GFCCVEGCSA-N 1 3 226.364 1.173 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316687318 388420449 /nfs/dbraw/zinc/42/04/49/388420449.db2.gz ZTKDAIREZQLNGW-AVGNSLFASA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCN ZINC000307596968 388424729 /nfs/dbraw/zinc/42/47/29/388424729.db2.gz MYWILWJLRKCTRR-OCCSQVGLSA-N 1 3 233.359 1.055 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522307 388432622 /nfs/dbraw/zinc/43/26/22/388432622.db2.gz QGSOOUUZVCNUDB-YTWAJWBKSA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522307 388432623 /nfs/dbraw/zinc/43/26/23/388432623.db2.gz QGSOOUUZVCNUDB-YTWAJWBKSA-N 1 3 232.318 1.960 20 0 BDADHO CCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000343634800 388502135 /nfs/dbraw/zinc/50/21/35/388502135.db2.gz VEGNQODASSVAHV-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000343634800 388502136 /nfs/dbraw/zinc/50/21/36/388502136.db2.gz VEGNQODASSVAHV-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H](NCCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000379276426 388604646 /nfs/dbraw/zinc/60/46/46/388604646.db2.gz ZVASANHKHHWWOT-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO c1ccc(OCCC[NH2+]C2CCNCC2)cc1 ZINC000052092135 388669499 /nfs/dbraw/zinc/66/94/99/388669499.db2.gz ZGOIZLUTAPWGER-UHFFFAOYSA-N 1 3 234.343 1.797 20 0 BDADHO c1ccc(OCCCNC2CC[NH2+]CC2)cc1 ZINC000052092135 388669505 /nfs/dbraw/zinc/66/95/05/388669505.db2.gz ZGOIZLUTAPWGER-UHFFFAOYSA-N 1 3 234.343 1.797 20 0 BDADHO CCN1CC[C@H]([NH2+]CCN2CCCC2)[C@@H](C)C1 ZINC000248048009 388673445 /nfs/dbraw/zinc/67/34/45/388673445.db2.gz VRHPDRLFQSSWEN-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCN2CCCC2)[C@@H](C)C1 ZINC000248048009 388673446 /nfs/dbraw/zinc/67/34/46/388673446.db2.gz VRHPDRLFQSSWEN-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@H+]1CC[C@H](NCCN2CCCC2)[C@@H](C)C1 ZINC000248048009 388673448 /nfs/dbraw/zinc/67/34/48/388673448.db2.gz VRHPDRLFQSSWEN-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)[C@H]1CN(CCOCC[NH3+])CCS1 ZINC000261598044 135237182 /nfs/dbraw/zinc/23/71/82/135237182.db2.gz ZJDCLIFSKNJQRW-LLVKDONJSA-N 1 3 232.393 1.035 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cn1 ZINC000530218106 388629845 /nfs/dbraw/zinc/62/98/45/388629845.db2.gz FDSDLAGQZBNMAC-RYUDHWBXSA-N 1 3 235.331 1.102 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccncc1 ZINC000530218790 388631252 /nfs/dbraw/zinc/63/12/52/388631252.db2.gz HFHWUOGHJOJVLP-RAIGVLPGSA-N 1 3 219.332 1.655 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220234 388631842 /nfs/dbraw/zinc/63/18/42/388631842.db2.gz MLYBDGMGTVQADG-SORUDPMGSA-N 1 3 244.338 1.900 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220223 388632307 /nfs/dbraw/zinc/63/23/07/388632307.db2.gz MLYBDGMGTVQADG-LBYOPCMCSA-N 1 3 244.338 1.900 20 0 BDADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cn1 ZINC000530221971 388633313 /nfs/dbraw/zinc/63/33/13/388633313.db2.gz QCLVIDDQOSWHOD-OLZOCXBDSA-N 1 3 249.358 1.350 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000530221971 388633314 /nfs/dbraw/zinc/63/33/14/388633314.db2.gz QCLVIDDQOSWHOD-OLZOCXBDSA-N 1 3 249.358 1.350 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223334 388634314 /nfs/dbraw/zinc/63/43/14/388634314.db2.gz UEQKJKSZGWVUOK-CQLXCSJHSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC12CC(C1)CO2 ZINC000530223334 388634317 /nfs/dbraw/zinc/63/43/17/388634317.db2.gz UEQKJKSZGWVUOK-CQLXCSJHSA-N 1 3 224.348 1.143 20 0 BDADHO CC(C)([NH3+])CNc1ccc2c(c1)OCCNC2 ZINC000530247413 388639591 /nfs/dbraw/zinc/63/95/91/388639591.db2.gz SEZQBSJVPVUENI-UHFFFAOYSA-N 1 3 235.331 1.318 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000222833365 388645601 /nfs/dbraw/zinc/64/56/01/388645601.db2.gz HXGPRGUKLQDBHS-NWDGAFQWSA-N 1 3 213.369 1.010 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000224410767 388663922 /nfs/dbraw/zinc/66/39/22/388663922.db2.gz QCHXHZYLZIVIHD-UONOGXRCSA-N 1 3 241.423 1.791 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000249844139 388734239 /nfs/dbraw/zinc/73/42/39/388734239.db2.gz OCZXDXDMYYNSIC-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000227003568 388736020 /nfs/dbraw/zinc/73/60/20/388736020.db2.gz LGBOJPPCTGFUNF-SRVKXCTJSA-N 1 3 228.405 1.989 20 0 BDADHO CCSCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261527422 388743524 /nfs/dbraw/zinc/74/35/24/388743524.db2.gz BALVWQWTFLTEGA-AXFHLTTASA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000251816609 388754091 /nfs/dbraw/zinc/75/40/91/388754091.db2.gz ZHARNJLTUXVHJO-SNPRPXQTSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000251816609 388754092 /nfs/dbraw/zinc/75/40/92/388754092.db2.gz ZHARNJLTUXVHJO-SNPRPXQTSA-N 1 3 248.370 1.259 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000249086417 388707944 /nfs/dbraw/zinc/70/79/44/388707944.db2.gz NGYUHBJVMORSSD-IGQOVBAYSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000249086417 388707946 /nfs/dbraw/zinc/70/79/46/388707946.db2.gz NGYUHBJVMORSSD-IGQOVBAYSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000249086417 388707950 /nfs/dbraw/zinc/70/79/50/388707950.db2.gz NGYUHBJVMORSSD-IGQOVBAYSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@@H](CN(C)C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000554371780 388812198 /nfs/dbraw/zinc/81/21/98/388812198.db2.gz AKBFRTUDQVAVBX-LBPRGKRZSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)CN1CCCC1 ZINC000129155827 388822110 /nfs/dbraw/zinc/82/21/10/388822110.db2.gz HVGJPHPBMFMEEN-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CS[C@@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000556111467 388867917 /nfs/dbraw/zinc/86/79/17/388867917.db2.gz UZBZXMWXCQODBJ-GFCCVEGCSA-N 1 3 228.405 1.910 20 0 BDADHO CS[C@@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000556111467 388867921 /nfs/dbraw/zinc/86/79/21/388867921.db2.gz UZBZXMWXCQODBJ-GFCCVEGCSA-N 1 3 228.405 1.910 20 0 BDADHO CC[C@H]1CN(CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000300015587 388848220 /nfs/dbraw/zinc/84/82/20/388848220.db2.gz GEDBKNTXRHDDKM-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H](Cc1cnccn1)[NH2+]CC1(N)CCCCC1 ZINC000564822861 388891953 /nfs/dbraw/zinc/89/19/53/388891953.db2.gz NPEZZKFNLIAHSK-LBPRGKRZSA-N 1 3 248.374 1.659 20 0 BDADHO Cc1n[nH]cc1CNCC1=CC[N@H+](C)CC1 ZINC000271866065 389023322 /nfs/dbraw/zinc/02/33/22/389023322.db2.gz WFHBOTOFMFLBKR-UHFFFAOYSA-N 1 3 220.320 1.070 20 0 BDADHO Cc1n[nH]cc1CNCC1=CC[N@@H+](C)CC1 ZINC000271866065 389023328 /nfs/dbraw/zinc/02/33/28/389023328.db2.gz WFHBOTOFMFLBKR-UHFFFAOYSA-N 1 3 220.320 1.070 20 0 BDADHO C(COC1CCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000168753242 533367133 /nfs/dbraw/zinc/36/71/33/533367133.db2.gz JGNPWVOURSJRHB-LBPRGKRZSA-N 1 3 226.364 1.677 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856226 533369944 /nfs/dbraw/zinc/36/99/44/533369944.db2.gz PIMFVWPUJYBDPW-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCO1 ZINC000250856226 533369948 /nfs/dbraw/zinc/36/99/48/533369948.db2.gz PIMFVWPUJYBDPW-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CCC2(CCC2)C1 ZINC000261548367 533374790 /nfs/dbraw/zinc/37/47/90/533374790.db2.gz NPGRNZWZOPSFMY-GFCCVEGCSA-N 1 3 208.349 1.862 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CCC2(CCC2)C1 ZINC000261548367 533374795 /nfs/dbraw/zinc/37/47/95/533374795.db2.gz NPGRNZWZOPSFMY-GFCCVEGCSA-N 1 3 208.349 1.862 20 0 BDADHO CCN(CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000352203207 134102697 /nfs/dbraw/zinc/10/26/97/134102697.db2.gz PYECPSNHHZGBTR-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(CC[C@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000352203207 134102698 /nfs/dbraw/zinc/10/26/98/134102698.db2.gz PYECPSNHHZGBTR-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCCNCC1 ZINC000168763526 134247812 /nfs/dbraw/zinc/24/78/12/134247812.db2.gz JVPHXQLFCDKRJF-NSHDSACASA-N 1 3 214.353 1.269 20 0 BDADHO CCC(O)(CC)CN[C@H]1CCC[NH2+]CC1 ZINC000168763526 134247813 /nfs/dbraw/zinc/24/78/13/134247813.db2.gz JVPHXQLFCDKRJF-NSHDSACASA-N 1 3 214.353 1.269 20 0 BDADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC1 ZINC000177206769 134296276 /nfs/dbraw/zinc/29/62/76/134296276.db2.gz VKZUMXLGNNOONM-LBPRGKRZSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000178219161 134305131 /nfs/dbraw/zinc/30/51/31/134305131.db2.gz QHDVBNCFAPSIGJ-GWCFXTLKSA-N 1 3 247.342 1.787 20 0 BDADHO COC1CC(NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000220837215 134316256 /nfs/dbraw/zinc/31/62/56/134316256.db2.gz BRPFISKGTJYHAH-JXQTWKCFSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOCC1CC1 ZINC000223384406 134338655 /nfs/dbraw/zinc/33/86/55/134338655.db2.gz AUISGBRQZWNARA-DYEKYZERSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOCC1CC1 ZINC000223384406 134338656 /nfs/dbraw/zinc/33/86/56/134338656.db2.gz AUISGBRQZWNARA-DYEKYZERSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H](CO)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224251124 134345418 /nfs/dbraw/zinc/34/54/18/134345418.db2.gz KAUWMLOBEPWHQS-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000224375024 134346455 /nfs/dbraw/zinc/34/64/55/134346455.db2.gz JZLDMBDUKQMWSO-PQAZSJQKSA-N 1 3 238.375 1.770 20 0 BDADHO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000227376142 134379412 /nfs/dbraw/zinc/37/94/12/134379412.db2.gz HIGJHFSPJYXSPD-RYUDHWBXSA-N 1 3 249.358 1.668 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCCO1 ZINC000049332467 134631442 /nfs/dbraw/zinc/63/14/42/134631442.db2.gz APOWJVVZSROMDE-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000049332467 134631443 /nfs/dbraw/zinc/63/14/43/134631443.db2.gz APOWJVVZSROMDE-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCOC2)CC1 ZINC000070964985 135015467 /nfs/dbraw/zinc/01/54/67/135015467.db2.gz MNTOGJSSFUFLGO-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO Cc1cc(N2CCN(C[C@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000248665020 135018220 /nfs/dbraw/zinc/01/82/20/135018220.db2.gz LBDCLPIPRXHCAW-STQMWFEESA-N 1 3 249.358 1.281 20 0 BDADHO c1cnn(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250159146 135050173 /nfs/dbraw/zinc/05/01/73/135050173.db2.gz GDALCKUHQHPTJD-STQMWFEESA-N 1 3 234.347 1.100 20 0 BDADHO c1cnn(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250159146 135050176 /nfs/dbraw/zinc/05/01/76/135050176.db2.gz GDALCKUHQHPTJD-STQMWFEESA-N 1 3 234.347 1.100 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000250358134 135052754 /nfs/dbraw/zinc/05/27/54/135052754.db2.gz SPUHRECXDWQPIQ-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CN(C)C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250681778 135057780 /nfs/dbraw/zinc/05/77/80/135057780.db2.gz ACADFWCLNGWPQD-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250681778 135057781 /nfs/dbraw/zinc/05/77/81/135057781.db2.gz ACADFWCLNGWPQD-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251095265 135064316 /nfs/dbraw/zinc/06/43/16/135064316.db2.gz PUXUXUZWSPHCIN-XJFOESAGSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251126295 135064537 /nfs/dbraw/zinc/06/45/37/135064537.db2.gz XFKHZQORYUWMIY-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251177957 135064983 /nfs/dbraw/zinc/06/49/83/135064983.db2.gz GPGGIUXHDOHASW-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251201307 135066503 /nfs/dbraw/zinc/06/65/03/135066503.db2.gz KTGCNXWPRLQPKE-XJFOESAGSA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251318044 135068181 /nfs/dbraw/zinc/06/81/81/135068181.db2.gz LRJTWZTUJXHHKO-AGIUHOORSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251318044 135068184 /nfs/dbraw/zinc/06/81/84/135068184.db2.gz LRJTWZTUJXHHKO-AGIUHOORSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@H]1N ZINC000251914474 135081398 /nfs/dbraw/zinc/08/13/98/135081398.db2.gz XLLLBAVUSWFOFR-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1N ZINC000251914474 135081400 /nfs/dbraw/zinc/08/14/00/135081400.db2.gz XLLLBAVUSWFOFR-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251914474 135081402 /nfs/dbraw/zinc/08/14/02/135081402.db2.gz XLLLBAVUSWFOFR-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCOC1 ZINC000252107580 135083627 /nfs/dbraw/zinc/08/36/27/135083627.db2.gz JCVXEOKSMWMAOC-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCOC1 ZINC000252107580 135083629 /nfs/dbraw/zinc/08/36/29/135083629.db2.gz JCVXEOKSMWMAOC-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1c2ccsc2CCN1CCOCC[NH3+] ZINC000086435567 135084083 /nfs/dbraw/zinc/08/40/83/135084083.db2.gz MEDRGRRPUUAQLI-JTQLQIEISA-N 1 3 240.372 1.643 20 0 BDADHO Cc1ccccc1CN(C)CCOCC[NH3+] ZINC000086435462 135084361 /nfs/dbraw/zinc/08/43/61/135084361.db2.gz SYELAYFROUIJEW-UHFFFAOYSA-N 1 3 222.332 1.402 20 0 BDADHO Cc1c[nH+]ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252539992 135092338 /nfs/dbraw/zinc/09/23/38/135092338.db2.gz CBUZJFZLILZCRT-STQMWFEESA-N 1 3 247.342 1.665 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CC[C@H]1CCCO1 ZINC000252688915 135097213 /nfs/dbraw/zinc/09/72/13/135097213.db2.gz PSOQIHLSVWJVDI-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@]1(CNC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000087255625 135116008 /nfs/dbraw/zinc/11/60/08/135116008.db2.gz CUXPFDNNXSGJPO-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@]1(C[NH2+]C[C@H]2CCCNC2)CCCO1 ZINC000087255625 135116010 /nfs/dbraw/zinc/11/60/10/135116010.db2.gz CUXPFDNNXSGJPO-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253018406 135119309 /nfs/dbraw/zinc/11/93/09/135119309.db2.gz IMPKYDGEUWTFCP-ZOBORPQBSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000258884651 135135701 /nfs/dbraw/zinc/13/57/01/135135701.db2.gz GQZJEGYPKRHNMB-OLZOCXBDSA-N 1 3 204.317 1.964 20 0 BDADHO C(C1CCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257735212 135141058 /nfs/dbraw/zinc/14/10/58/135141058.db2.gz RODRMICJLYZYDT-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO C([C@H]1CCCOC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257741629 135141257 /nfs/dbraw/zinc/14/12/57/135141257.db2.gz YZNVDTSEKMVKHY-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO c1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000259413153 135142626 /nfs/dbraw/zinc/14/26/26/135142626.db2.gz YRCSOODMJWDEKM-HNNXBMFYSA-N 1 3 245.370 1.903 20 0 BDADHO C[N@H+](C[C@@H]1CCSC1)C1CCNCC1 ZINC000261531441 135160327 /nfs/dbraw/zinc/16/03/27/135160327.db2.gz GNOXDRAGIIVTGI-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO C[N@@H+](C[C@@H]1CCSC1)C1CCNCC1 ZINC000261531441 135160328 /nfs/dbraw/zinc/16/03/28/135160328.db2.gz GNOXDRAGIIVTGI-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO CN(C[C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000261531441 135160330 /nfs/dbraw/zinc/16/03/30/135160330.db2.gz GNOXDRAGIIVTGI-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO C[C@H](N)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000261532079 135161603 /nfs/dbraw/zinc/16/16/03/135161603.db2.gz JAQWPZSOUAWLQS-GWCFXTLKSA-N 1 3 204.317 1.953 20 0 BDADHO C[C@H](N)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000261532079 135161604 /nfs/dbraw/zinc/16/16/04/135161604.db2.gz JAQWPZSOUAWLQS-GWCFXTLKSA-N 1 3 204.317 1.953 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261532423 135162858 /nfs/dbraw/zinc/16/28/58/135162858.db2.gz BHOMRQMRARBTGN-XQQFMLRXSA-N 1 3 226.364 1.663 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261534248 135166766 /nfs/dbraw/zinc/16/67/66/135166766.db2.gz OYWQAZLMGWDNNL-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261534250 135166842 /nfs/dbraw/zinc/16/68/42/135166842.db2.gz OYWQAZLMGWDNNL-YVECIDJPSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2CN)CCCS1 ZINC000087793228 135172057 /nfs/dbraw/zinc/17/20/57/135172057.db2.gz JIXMTYUDMHKPPU-GRYCIOLGSA-N 1 3 228.405 1.989 20 0 BDADHO Cc1ccccc1C[N@H+]1CC[C@H](N)[C@@H]1C ZINC000261536392 135172168 /nfs/dbraw/zinc/17/21/68/135172168.db2.gz ROLNNQWVQFDLHN-AAEUAGOBSA-N 1 3 204.317 1.917 20 0 BDADHO Cc1ccccc1C[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000261536392 135172170 /nfs/dbraw/zinc/17/21/70/135172170.db2.gz ROLNNQWVQFDLHN-AAEUAGOBSA-N 1 3 204.317 1.917 20 0 BDADHO Cc1noc(C)c1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261538309 135175831 /nfs/dbraw/zinc/17/58/31/135175831.db2.gz ZELCKBZFYYUCOG-NWDGAFQWSA-N 1 3 237.347 1.899 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000261539344 135177645 /nfs/dbraw/zinc/17/76/45/135177645.db2.gz CEIHLMAIGROKGF-UPJWGTAASA-N 1 3 208.349 1.718 20 0 BDADHO C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261542679 135182974 /nfs/dbraw/zinc/18/29/74/135182974.db2.gz HDPYCFWMQMUFLH-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CCOCC1 ZINC000261543241 135184236 /nfs/dbraw/zinc/18/42/36/135184236.db2.gz RZDRSMSCOIAQDU-FPMFFAJLSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC000261548900 135187428 /nfs/dbraw/zinc/18/74/28/135187428.db2.gz OAOPSRSJSOXDDF-OCCSQVGLSA-N 1 3 233.359 1.198 20 0 BDADHO C[C@@H]1C[C@H](NCC[NH3+])CN1Cc1ccccc1 ZINC000261548900 135187430 /nfs/dbraw/zinc/18/74/30/135187430.db2.gz OAOPSRSJSOXDDF-OCCSQVGLSA-N 1 3 233.359 1.198 20 0 BDADHO CC(C)COCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084218181 135193013 /nfs/dbraw/zinc/19/30/13/135193013.db2.gz DSZGUPLDUBHZSE-CHWSQXEVSA-N 1 3 228.380 1.766 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000261560066 135200329 /nfs/dbraw/zinc/20/03/29/135200329.db2.gz ZMCNCLMPIYBPAL-AAEUAGOBSA-N 1 3 208.349 1.718 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000261560066 135200331 /nfs/dbraw/zinc/20/03/31/135200331.db2.gz ZMCNCLMPIYBPAL-AAEUAGOBSA-N 1 3 208.349 1.718 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCC1 ZINC000261568740 135210403 /nfs/dbraw/zinc/21/04/03/135210403.db2.gz FURRKIAPTHYYGC-RYUDHWBXSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@]1(C[NH3+])CCN(CCc2cccnc2)C1 ZINC000261576663 135218314 /nfs/dbraw/zinc/21/83/14/135218314.db2.gz KMUWDTCYXIPAQA-CYBMUJFWSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@]1(CN)CC[N@H+](CCc2cccnc2)C1 ZINC000261576663 135218316 /nfs/dbraw/zinc/21/83/16/135218316.db2.gz KMUWDTCYXIPAQA-CYBMUJFWSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CCc2cccnc2)C1 ZINC000261576663 135218318 /nfs/dbraw/zinc/21/83/18/135218318.db2.gz KMUWDTCYXIPAQA-CYBMUJFWSA-N 1 3 219.332 1.295 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000261587639 135228596 /nfs/dbraw/zinc/22/85/96/135228596.db2.gz RWLZTKUCEFFHQC-CYDGBPFRSA-N 1 3 226.364 1.255 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000261596819 135235780 /nfs/dbraw/zinc/23/57/80/135235780.db2.gz YXXWHIGHEYKVOE-RVMXOQNASA-N 1 3 226.364 1.255 20 0 BDADHO C[C@]1(CN)CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261596171 135235920 /nfs/dbraw/zinc/23/59/20/135235920.db2.gz YOVHKFXWZPGIFH-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261596171 135235922 /nfs/dbraw/zinc/23/59/22/135235922.db2.gz YOVHKFXWZPGIFH-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO CC[C@]1(CO)CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261684113 135246306 /nfs/dbraw/zinc/24/63/06/135246306.db2.gz AFCQOLYDOUUFKG-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@H](CNC1=[NH+]CCCN1)N1CCC[C@@H](C)C1 ZINC000261699471 135246945 /nfs/dbraw/zinc/24/69/45/135246945.db2.gz CJMWWFSCWRTOFE-NEPJUHHUSA-N 1 3 238.379 1.046 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000261833777 135256227 /nfs/dbraw/zinc/25/62/27/135256227.db2.gz JIIBOUWMLFHXBU-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000261833777 135256229 /nfs/dbraw/zinc/25/62/29/135256229.db2.gz JIIBOUWMLFHXBU-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO COCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261880378 135260141 /nfs/dbraw/zinc/26/01/41/135260141.db2.gz YMJNXCGFXOCAGM-KGLIPLIRSA-N 1 3 234.343 1.307 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000261904647 135261509 /nfs/dbraw/zinc/26/15/09/135261509.db2.gz ZVWINHREIWMXIF-NSHDSACASA-N 1 3 249.358 1.732 20 0 BDADHO COC(=O)C(C)(C)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261975074 135268925 /nfs/dbraw/zinc/26/89/25/135268925.db2.gz QQXZKNKRAPZIBB-GHMZBOCLSA-N 1 3 242.363 1.245 20 0 BDADHO COC[C@H]1CCCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044696 135275914 /nfs/dbraw/zinc/27/59/14/135275914.db2.gz PPJNTWBATUJNHI-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOCC(F)F)C[C@@H]21 ZINC000262116248 135279278 /nfs/dbraw/zinc/27/92/78/135279278.db2.gz LHPZRZHIOOWVGK-OUAUKWLOSA-N 1 3 248.317 1.327 20 0 BDADHO CN(C[C@@H]1CCCC[C@@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262106159 135280027 /nfs/dbraw/zinc/28/00/27/135280027.db2.gz VYTCJJWKTKUKGA-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000262581074 135306367 /nfs/dbraw/zinc/30/63/67/135306367.db2.gz JPVXKTQADXYRTM-NSHDSACASA-N 1 3 243.395 1.016 20 0 BDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)N ZINC000262653155 135311079 /nfs/dbraw/zinc/31/10/79/135311079.db2.gz SHPPRYXKVQTIGJ-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(C)(C)N ZINC000262653155 135311080 /nfs/dbraw/zinc/31/10/80/135311080.db2.gz SHPPRYXKVQTIGJ-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO CN1CCN(CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000334345227 135366106 /nfs/dbraw/zinc/36/61/06/135366106.db2.gz ONNYQXGNOKKHOO-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCN(CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000334345227 135366107 /nfs/dbraw/zinc/36/61/07/135366107.db2.gz ONNYQXGNOKKHOO-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000080773808 135385131 /nfs/dbraw/zinc/38/51/31/135385131.db2.gz KZXYKJJOJGOHSW-GFCCVEGCSA-N 1 3 219.332 1.589 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000088169916 135516592 /nfs/dbraw/zinc/51/65/92/135516592.db2.gz GUFDBIKPXNLDRX-WCFLWFBJSA-N 1 3 219.332 1.860 20 0 BDADHO CCC[NH2+]CCNC(=O)c1ccc2c(c1)CNC2 ZINC000347654925 136001450 /nfs/dbraw/zinc/00/14/50/136001450.db2.gz UQIFIIZUEQXXLK-UHFFFAOYSA-N 1 3 247.342 1.019 20 0 BDADHO CCCCN(CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000348080885 136034364 /nfs/dbraw/zinc/03/43/64/136034364.db2.gz NGWXKVHZGYPDON-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CCCCN(CCO)CC[C@@H]1CCC[N@H+]1C ZINC000348080885 136034365 /nfs/dbraw/zinc/03/43/65/136034365.db2.gz NGWXKVHZGYPDON-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO C1=C(CN[C@@H]2CCC[NH2+]CC2)COCC1 ZINC000379735187 397961492 /nfs/dbraw/zinc/96/14/92/397961492.db2.gz HGHATYIPZWNGQK-GFCCVEGCSA-N 1 3 210.321 1.065 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649618312 398001641 /nfs/dbraw/zinc/00/16/41/398001641.db2.gz TUIPXCNGQGGTNO-KGLIPLIRSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1C[C@H]1CCC[N@H+]1C ZINC000649618312 398001643 /nfs/dbraw/zinc/00/16/43/398001643.db2.gz TUIPXCNGQGGTNO-KGLIPLIRSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](N(C)C[C@H]2CCCN2C)C1 ZINC000649624532 398005794 /nfs/dbraw/zinc/00/57/94/398005794.db2.gz JAVPOZGDNKTTEO-KGLIPLIRSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)[N@H+]1CC[C@H](N(C)C[C@H]2CCCN2C)C1 ZINC000649624532 398005796 /nfs/dbraw/zinc/00/57/96/398005796.db2.gz JAVPOZGDNKTTEO-KGLIPLIRSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H]2CCC[C@H]21 ZINC000383179182 398010255 /nfs/dbraw/zinc/01/02/55/398010255.db2.gz JLMVAPSKXCBWIW-HZSPNIEDSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H]2CCC[C@H]21 ZINC000383179182 398010256 /nfs/dbraw/zinc/01/02/56/398010256.db2.gz JLMVAPSKXCBWIW-HZSPNIEDSA-N 1 3 240.391 1.562 20 0 BDADHO [NH3+]C[C@]12CCC[C@H]1CN(CCc1cn[nH]c1)C2 ZINC000383495377 398022430 /nfs/dbraw/zinc/02/24/30/398022430.db2.gz DAEPYHZVLVWQCN-STQMWFEESA-N 1 3 234.347 1.013 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CCc1cn[nH]c1)C2 ZINC000383495377 398022433 /nfs/dbraw/zinc/02/24/33/398022433.db2.gz DAEPYHZVLVWQCN-STQMWFEESA-N 1 3 234.347 1.013 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CCc1cn[nH]c1)C2 ZINC000383495377 398022436 /nfs/dbraw/zinc/02/24/36/398022436.db2.gz DAEPYHZVLVWQCN-STQMWFEESA-N 1 3 234.347 1.013 20 0 BDADHO CCN[C@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000637807866 398024049 /nfs/dbraw/zinc/02/40/49/398024049.db2.gz PVTPZOQMMUOHCV-SNVBAGLBSA-N 1 3 235.331 1.343 20 0 BDADHO C[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCOC1 ZINC000389124861 398029232 /nfs/dbraw/zinc/02/92/32/398029232.db2.gz VTJGTMNIZPWISV-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO CN(CCN(C)C1CC1)C[C@H]1CCC[N@@H+]1C ZINC000649586823 397976447 /nfs/dbraw/zinc/97/64/47/397976447.db2.gz RCBBHIVYEJNXJE-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CN(CCN(C)C1CC1)C[C@H]1CCC[N@H+]1C ZINC000649586823 397976452 /nfs/dbraw/zinc/97/64/52/397976452.db2.gz RCBBHIVYEJNXJE-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CC(C)OCCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000336755197 167215040 /nfs/dbraw/zinc/21/50/40/167215040.db2.gz XOEAUCIAGXASMI-RYUDHWBXSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368318921 167214736 /nfs/dbraw/zinc/21/47/36/167214736.db2.gz UTVGBWLMBWXIMY-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)OCCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368318921 167214739 /nfs/dbraw/zinc/21/47/39/167214739.db2.gz UTVGBWLMBWXIMY-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)OCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000122346946 167234241 /nfs/dbraw/zinc/23/42/41/167234241.db2.gz LHPYLYUZHBXRHI-GHMZBOCLSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000383099285 487587177 /nfs/dbraw/zinc/58/71/77/487587177.db2.gz ZOELDUUMQACSGO-REWJHTLYSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000383099285 487587185 /nfs/dbraw/zinc/58/71/85/487587185.db2.gz ZOELDUUMQACSGO-REWJHTLYSA-N 1 3 240.391 1.597 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CC1 ZINC000228163083 487594329 /nfs/dbraw/zinc/59/43/29/487594329.db2.gz HIFFUVSOJAFGJE-GXTWGEPZSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@@H](NC[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000228163083 487594335 /nfs/dbraw/zinc/59/43/35/487594335.db2.gz HIFFUVSOJAFGJE-GXTWGEPZSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@@H](NC[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000228163083 487594342 /nfs/dbraw/zinc/59/43/42/487594342.db2.gz HIFFUVSOJAFGJE-GXTWGEPZSA-N 1 3 240.391 1.731 20 0 BDADHO C(C[C@@H]1CCOC1)NC[C@@H]1CCCC[NH2+]1 ZINC000232449999 487594513 /nfs/dbraw/zinc/59/45/13/487594513.db2.gz QCCAOSSPEKGOQX-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCCCC1 ZINC000662248771 409549047 /nfs/dbraw/zinc/54/90/47/409549047.db2.gz DAMKBXKYTCKKRI-CYBMUJFWSA-N 1 3 238.375 1.772 20 0 BDADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCCCC1 ZINC000662248771 409549051 /nfs/dbraw/zinc/54/90/51/409549051.db2.gz DAMKBXKYTCKKRI-CYBMUJFWSA-N 1 3 238.375 1.772 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@](C)(CN)C1)C1CCCC1 ZINC000662274792 409584484 /nfs/dbraw/zinc/58/44/84/409584484.db2.gz ZYDZMYHFHSWXJS-UONOGXRCSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@](C)(CN)C1)C1CCCC1 ZINC000662274792 409584490 /nfs/dbraw/zinc/58/44/90/409584490.db2.gz ZYDZMYHFHSWXJS-UONOGXRCSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662818850 409932879 /nfs/dbraw/zinc/93/28/79/409932879.db2.gz BFGOTCWGSAASSF-ZJUUUORDSA-N 1 3 247.342 1.145 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCN(C2CCCC2)CC1 ZINC000052061816 409940134 /nfs/dbraw/zinc/94/01/34/409940134.db2.gz KGAIPFJMMRNLDT-CYBMUJFWSA-N 1 3 237.391 1.156 20 0 BDADHO CO[C@@H](C)[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650753679 410397967 /nfs/dbraw/zinc/39/79/67/410397967.db2.gz SRNYWFOGZDQIEU-UWVGGRQHSA-N 1 3 240.322 1.797 20 0 BDADHO CCCN1CCC([NH2+][C@@H](C)CF)CC1 ZINC000308578915 410721916 /nfs/dbraw/zinc/72/19/16/410721916.db2.gz FRORVUFJLGHMLZ-JTQLQIEISA-N 1 3 202.317 1.808 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)C1CCC1 ZINC000665279566 410754968 /nfs/dbraw/zinc/75/49/68/410754968.db2.gz GFRWAUWPDYJEFY-YDGIUTOCSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@H](NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000665279566 410754974 /nfs/dbraw/zinc/75/49/74/410754974.db2.gz GFRWAUWPDYJEFY-YDGIUTOCSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H]1CCCO1 ZINC000665282382 410760994 /nfs/dbraw/zinc/76/09/94/410760994.db2.gz WTDJSUXIZRFQSW-QJPTWQEYSA-N 1 3 214.353 1.517 20 0 BDADHO CO[C@H](CN[C@@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283017 410764301 /nfs/dbraw/zinc/76/43/01/410764301.db2.gz GFDWIDWXCTZMMD-SMDDNHRTSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](C[NH2+][C@@H](C)C1CNC1)C1CCCCC1 ZINC000665283017 410764310 /nfs/dbraw/zinc/76/43/10/410764310.db2.gz GFDWIDWXCTZMMD-SMDDNHRTSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000393862717 410764390 /nfs/dbraw/zinc/76/43/90/410764390.db2.gz KOBDQQQFVFBZOC-MCIONIFRSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000393862717 410764396 /nfs/dbraw/zinc/76/43/96/410764396.db2.gz KOBDQQQFVFBZOC-MCIONIFRSA-N 1 3 242.407 1.665 20 0 BDADHO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000653299415 410818560 /nfs/dbraw/zinc/81/85/60/410818560.db2.gz SUAAUWQMZRGCLT-GWCFXTLKSA-N 1 3 219.332 1.580 20 0 BDADHO CC(C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000037482877 167101994 /nfs/dbraw/zinc/10/19/94/167101994.db2.gz MANSBMMQUFKIJX-STQMWFEESA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000335497276 167136233 /nfs/dbraw/zinc/13/62/33/167136233.db2.gz SKGLLVJJQAJNTH-QWHCGFSZSA-N 1 3 204.317 1.740 20 0 BDADHO CC(C)[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336763040 167381028 /nfs/dbraw/zinc/38/10/28/167381028.db2.gz OTSKIEVLOHCYRY-LLVKDONJSA-N 1 3 214.353 1.077 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@H](CO)CCF)[C@@H](C)C1 ZINC000652019084 410999248 /nfs/dbraw/zinc/99/92/48/410999248.db2.gz JIYCNMMVPJLCQP-SRVKXCTJSA-N 1 3 232.343 1.027 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@H](CO)CCF)[C@@H](C)C1 ZINC000652019084 410999252 /nfs/dbraw/zinc/99/92/52/410999252.db2.gz JIYCNMMVPJLCQP-SRVKXCTJSA-N 1 3 232.343 1.027 20 0 BDADHO CCC[NH+]1CCC(N[C@H](CO)CCF)CC1 ZINC000652024934 411081164 /nfs/dbraw/zinc/08/11/64/411081164.db2.gz PSCSXAPBTCOABL-LBPRGKRZSA-N 1 3 232.343 1.171 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@H]1CN(C)C[C@H]1C ZINC000651865664 411147728 /nfs/dbraw/zinc/14/77/28/411147728.db2.gz CPUZCZURDWCWFF-KGLIPLIRSA-N 1 3 241.423 1.504 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@H]1CN(C)C[C@H]1C ZINC000651865664 411147729 /nfs/dbraw/zinc/14/77/29/411147729.db2.gz CPUZCZURDWCWFF-KGLIPLIRSA-N 1 3 241.423 1.504 20 0 BDADHO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000082666939 411152410 /nfs/dbraw/zinc/15/24/10/411152410.db2.gz WFWLODQYNNXXKN-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000082666939 411152413 /nfs/dbraw/zinc/15/24/13/411152413.db2.gz WFWLODQYNNXXKN-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@@H]1N ZINC000300231729 411116531 /nfs/dbraw/zinc/11/65/31/411116531.db2.gz INXFWLATGFKOAH-UTUOFQBUSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@@H]1N ZINC000300231729 411116534 /nfs/dbraw/zinc/11/65/34/411116534.db2.gz INXFWLATGFKOAH-UTUOFQBUSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000300231729 411116535 /nfs/dbraw/zinc/11/65/35/411116535.db2.gz INXFWLATGFKOAH-UTUOFQBUSA-N 1 3 228.405 1.799 20 0 BDADHO C[NH2+]CCC1CCN([C@H](C)c2cnccn2)CC1 ZINC000070480077 411170651 /nfs/dbraw/zinc/17/06/51/411170651.db2.gz HMYUKDWPVJVNBB-GFCCVEGCSA-N 1 3 248.374 1.859 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000401136197 411178305 /nfs/dbraw/zinc/17/83/05/411178305.db2.gz QRUOHPOQWSRJBX-QJPTWQEYSA-N 1 3 235.331 1.461 20 0 BDADHO CCO[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1CN ZINC000405855608 411191273 /nfs/dbraw/zinc/19/12/73/411191273.db2.gz LHSDFDAZMNDWHL-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1CN ZINC000405855608 411191276 /nfs/dbraw/zinc/19/12/76/411191276.db2.gz LHSDFDAZMNDWHL-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO COC1([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)CCC1 ZINC000658018236 411198833 /nfs/dbraw/zinc/19/88/33/411198833.db2.gz PLLRCOGCXLWURJ-VXGBXAGGSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](CC(C)(C)C)[NH2+]CCCN ZINC000656193311 411200733 /nfs/dbraw/zinc/20/07/33/411200733.db2.gz FTLFHCHGWOKARE-JTQLQIEISA-N 1 3 202.342 1.376 20 0 BDADHO COC[C@H](CC(C)(C)C)NCCC[NH3+] ZINC000656193311 411200736 /nfs/dbraw/zinc/20/07/36/411200736.db2.gz FTLFHCHGWOKARE-JTQLQIEISA-N 1 3 202.342 1.376 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC[C@H]1O ZINC000656197082 411201677 /nfs/dbraw/zinc/20/16/77/411201677.db2.gz BJJZEPDHGASUPG-REWJHTLYSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCCC[C@H]1O ZINC000656197082 411201679 /nfs/dbraw/zinc/20/16/79/411201679.db2.gz BJJZEPDHGASUPG-REWJHTLYSA-N 1 3 240.391 1.787 20 0 BDADHO Cc1nccnc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199077 411202206 /nfs/dbraw/zinc/20/22/06/411202206.db2.gz KFTLZHUVKYQGHY-NEPJUHHUSA-N 1 3 234.347 1.187 20 0 BDADHO CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000656198194 411203092 /nfs/dbraw/zinc/20/30/92/411203092.db2.gz MKGMHEBMVJEMAR-NELGMTEASA-N 1 3 240.391 1.930 20 0 BDADHO CCC1(CC)CC[N@H+](C[C@](C)(O)CNC)C1 ZINC000652338361 411204123 /nfs/dbraw/zinc/20/41/23/411204123.db2.gz XCQKFWFMVSBBSV-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CCC1(CC)CC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000652338361 411204125 /nfs/dbraw/zinc/20/41/25/411204125.db2.gz XCQKFWFMVSBBSV-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CCC1(CC)CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000652338361 411204128 /nfs/dbraw/zinc/20/41/28/411204128.db2.gz XCQKFWFMVSBBSV-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000656199945 411204716 /nfs/dbraw/zinc/20/47/16/411204716.db2.gz GYTGKKHCDSMHPF-GHMZBOCLSA-N 1 3 212.337 1.130 20 0 BDADHO CS[C@H](C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422940630 411234512 /nfs/dbraw/zinc/23/45/12/411234512.db2.gz SYYPEWVCCVDVSY-VWYCJHECSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@@H](CCCc1cccnc1)[NH2+][C@@H](C)C1CNC1 ZINC000423173208 411236611 /nfs/dbraw/zinc/23/66/11/411236611.db2.gz XLJHKANPBTZJRC-STQMWFEESA-N 1 3 247.386 1.990 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]1CCOC1 ZINC000396726910 411240465 /nfs/dbraw/zinc/24/04/65/411240465.db2.gz ZDZBJCQGKAGLHE-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](CCNC(=[NH2+])N1CCC(C)CC1)N(C)C ZINC000656508574 411288905 /nfs/dbraw/zinc/28/89/05/411288905.db2.gz OABCTCPTYUBXPQ-GFCCVEGCSA-N 1 3 240.395 1.583 20 0 BDADHO OCC1CC(NC2CC[NH+](CC3CC3)CC2)C1 ZINC000658352811 411356345 /nfs/dbraw/zinc/35/63/45/411356345.db2.gz YVALBRGOZZKYKF-UHFFFAOYSA-N 1 3 238.375 1.221 20 0 BDADHO CC[C@H]1CN(CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403851484 411363167 /nfs/dbraw/zinc/36/31/67/411363167.db2.gz WRCSRLIGLWIKNJ-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO Nc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656786014 411364751 /nfs/dbraw/zinc/36/47/51/411364751.db2.gz SWSZYEHRYWABKJ-OLZOCXBDSA-N 1 3 219.332 1.628 20 0 BDADHO C1CC1[C@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 ZINC000656788037 411367651 /nfs/dbraw/zinc/36/76/51/411367651.db2.gz KYOBMOLBSDIICD-XQQFMLRXSA-N 1 3 208.349 1.907 20 0 BDADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000656791667 411371099 /nfs/dbraw/zinc/37/10/99/411371099.db2.gz KTHHXEPYPUXEMD-HIFRSBDPSA-N 1 3 245.370 1.988 20 0 BDADHO C[C@@H]1CNC[C@@H]([NH2+][C@H]2CCc3cc(N)ccc32)C1 ZINC000656791894 411371673 /nfs/dbraw/zinc/37/16/73/411371673.db2.gz MSGWFCKXDOLPEA-XEGUGMAKSA-N 1 3 245.370 1.844 20 0 BDADHO CC1(F)CC([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000335008447 168052999 /nfs/dbraw/zinc/05/29/99/168052999.db2.gz UMJFUBUPLFRMLM-QTAHKJALSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[NH2+]1 ZINC000403485238 411349065 /nfs/dbraw/zinc/34/90/65/411349065.db2.gz UANPTJLPGMHWBC-ZOLYEBIHSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCN1 ZINC000403485238 411349071 /nfs/dbraw/zinc/34/90/71/411349071.db2.gz UANPTJLPGMHWBC-ZOLYEBIHSA-N 1 3 208.349 1.905 20 0 BDADHO Cc1c[nH+]ccc1NCCN1CC=C(C)CC1 ZINC000359564806 168110903 /nfs/dbraw/zinc/11/09/03/168110903.db2.gz LLUFWJNLRIIJSI-UHFFFAOYSA-N 1 3 231.343 1.876 20 0 BDADHO COC(=O)C(C)(C)CCNC[C@@H]1CCC[NH2+]C1 ZINC000414865758 411455245 /nfs/dbraw/zinc/45/52/45/411455245.db2.gz ZSOGRGOCXQOMFO-LLVKDONJSA-N 1 3 242.363 1.165 20 0 BDADHO CCOCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404370278 411392768 /nfs/dbraw/zinc/39/27/68/411392768.db2.gz IRFZZBCRKQBKQG-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO CCOCCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404370278 411392770 /nfs/dbraw/zinc/39/27/70/411392770.db2.gz IRFZZBCRKQBKQG-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)[C@@H]1CCN ZINC000404409880 411394258 /nfs/dbraw/zinc/39/42/58/411394258.db2.gz BYPHBYIXBKEEHY-FRRDWIJNSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)[C@@H]1CCN ZINC000404409880 411394259 /nfs/dbraw/zinc/39/42/59/411394259.db2.gz BYPHBYIXBKEEHY-FRRDWIJNSA-N 1 3 226.364 1.472 20 0 BDADHO NC1(C[NH2+]Cc2ccc3c[nH]nc3c2)CCC1 ZINC000414890675 411462242 /nfs/dbraw/zinc/46/22/42/411462242.db2.gz USIJMFKRKJYBJT-UHFFFAOYSA-N 1 3 230.315 1.534 20 0 BDADHO OCC1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000122340648 411428109 /nfs/dbraw/zinc/42/81/09/411428109.db2.gz FPQMGPQBOGQSKO-RWMBFGLXSA-N 1 3 238.375 1.269 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)CNCC1CC1 ZINC000122673865 411434391 /nfs/dbraw/zinc/43/43/91/411434391.db2.gz FVMXOXZISMVBBY-UHFFFAOYSA-N 1 3 247.342 1.344 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN ZINC000306285661 411441044 /nfs/dbraw/zinc/44/10/44/411441044.db2.gz JXUADLHGQYTHAD-XWLWVQCSSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H](N)c1ccccc1 ZINC000414824617 411448175 /nfs/dbraw/zinc/44/81/75/411448175.db2.gz BACRLGUDSUXMRU-SNPRPXQTSA-N 1 3 247.386 1.807 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C(C)C)C2)CO1 ZINC000657334986 411472064 /nfs/dbraw/zinc/47/20/64/411472064.db2.gz JDZPFCJIZNZQTQ-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C(C)C)C2)CO1 ZINC000657334986 411472066 /nfs/dbraw/zinc/47/20/66/411472066.db2.gz JDZPFCJIZNZQTQ-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)CO1 ZINC000657334986 411472068 /nfs/dbraw/zinc/47/20/68/411472068.db2.gz JDZPFCJIZNZQTQ-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H](NCCC[NH3+])[C@H]1COc2ccccc21 ZINC000415088253 411491862 /nfs/dbraw/zinc/49/18/62/411491862.db2.gz VYJATYOEKRCNIY-ZYHUDNBSSA-N 1 3 220.316 1.490 20 0 BDADHO C[C@@H]([NH2+]CCCN)[C@H]1COc2ccccc21 ZINC000415088253 411491865 /nfs/dbraw/zinc/49/18/65/411491865.db2.gz VYJATYOEKRCNIY-ZYHUDNBSSA-N 1 3 220.316 1.490 20 0 BDADHO C[N@H+]1CC=C(CNCc2cnc3n2CCC3)CC1 ZINC000657426845 411503821 /nfs/dbraw/zinc/50/38/21/411503821.db2.gz GPPGGCGOIZOQTE-UHFFFAOYSA-N 1 3 246.358 1.181 20 0 BDADHO C[N@@H+]1CC=C(CNCc2cnc3n2CCC3)CC1 ZINC000657426845 411503823 /nfs/dbraw/zinc/50/38/23/411503823.db2.gz GPPGGCGOIZOQTE-UHFFFAOYSA-N 1 3 246.358 1.181 20 0 BDADHO CC[NH2+]CC1CCN([C@H](C)c2cnccn2)CC1 ZINC000131462543 411534514 /nfs/dbraw/zinc/53/45/14/411534514.db2.gz INCCOKGOFDTISA-GFCCVEGCSA-N 1 3 248.374 1.859 20 0 BDADHO Cc1nccnc1[C@@H](C)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805184 411519533 /nfs/dbraw/zinc/51/95/33/411519533.db2.gz KEQLFIFJGBERFY-UPJWGTAASA-N 1 3 248.374 1.776 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)CC[C@@H]1C ZINC000660000702 411526901 /nfs/dbraw/zinc/52/69/01/411526901.db2.gz ZIIAOJGCRANBCX-XQQFMLRXSA-N 1 3 228.380 1.560 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)CC[C@@H]1C ZINC000660000702 411526904 /nfs/dbraw/zinc/52/69/04/411526904.db2.gz ZIIAOJGCRANBCX-XQQFMLRXSA-N 1 3 228.380 1.560 20 0 BDADHO Cc1c[nH]c(CNC(C)(C)CCC[NH+](C)C)n1 ZINC000657482054 411527014 /nfs/dbraw/zinc/52/70/14/411527014.db2.gz OLWJOSLEZRBXMB-UHFFFAOYSA-N 1 3 238.379 1.928 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000367596087 170009545 /nfs/dbraw/zinc/00/95/45/170009545.db2.gz DBDLQSPWQDWUHS-WCQYABFASA-N 1 3 248.374 1.719 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@]2(C)CCCO2)C1 ZINC000340189016 170016644 /nfs/dbraw/zinc/01/66/44/170016644.db2.gz SIGVGVBEZJMWOJ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)O)C[C@H]1C ZINC000336691411 170017990 /nfs/dbraw/zinc/01/79/90/170017990.db2.gz LNZMECABCNOBID-WOPDTQHZSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)O)C[C@H]1C ZINC000336691411 170017991 /nfs/dbraw/zinc/01/79/91/170017991.db2.gz LNZMECABCNOBID-WOPDTQHZSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C(C)C)C[C@H]1C ZINC000336710122 170017927 /nfs/dbraw/zinc/01/79/27/170017927.db2.gz OUVFDSAHVKAFNK-HZSPNIEDSA-N 1 3 242.407 1.808 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)C(C)C)C[C@H]1C ZINC000336710122 170017928 /nfs/dbraw/zinc/01/79/28/170017928.db2.gz OUVFDSAHVKAFNK-HZSPNIEDSA-N 1 3 242.407 1.808 20 0 BDADHO CC[NH2+]CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000236928832 170114473 /nfs/dbraw/zinc/11/44/73/170114473.db2.gz NYCUCQLCIGSBPK-AAEUAGOBSA-N 1 3 249.358 1.048 20 0 BDADHO CCOCCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336681891 170374980 /nfs/dbraw/zinc/37/49/80/170374980.db2.gz RVBOSZYWRAPZQA-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO CCOCCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336681891 170374982 /nfs/dbraw/zinc/37/49/82/170374982.db2.gz RVBOSZYWRAPZQA-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO C(N[C@@H]1CCOC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345933 411632406 /nfs/dbraw/zinc/63/24/06/411632406.db2.gz PDOPOQKHZXNFIN-ZIAGYGMSSA-N 1 3 238.375 1.487 20 0 BDADHO C(N[C@@H]1CCOC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345933 411632407 /nfs/dbraw/zinc/63/24/07/411632407.db2.gz PDOPOQKHZXNFIN-ZIAGYGMSSA-N 1 3 238.375 1.487 20 0 BDADHO C([NH2+][C@@H]1CCOC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663345933 411632412 /nfs/dbraw/zinc/63/24/12/411632412.db2.gz PDOPOQKHZXNFIN-ZIAGYGMSSA-N 1 3 238.375 1.487 20 0 BDADHO C[N@H+](C[C@H](O)CNCC1=CCCC1)C1CC1 ZINC000663363338 411637991 /nfs/dbraw/zinc/63/79/91/411637991.db2.gz JQQYYUJUYWGMOA-CYBMUJFWSA-N 1 3 224.348 1.141 20 0 BDADHO C[N@@H+](C[C@H](O)CNCC1=CCCC1)C1CC1 ZINC000663363338 411637992 /nfs/dbraw/zinc/63/79/92/411637992.db2.gz JQQYYUJUYWGMOA-CYBMUJFWSA-N 1 3 224.348 1.141 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCCCO)C2 ZINC000660658159 411615026 /nfs/dbraw/zinc/61/50/26/411615026.db2.gz DAZQKWLUHQUFEA-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCCCO)C2 ZINC000660658159 411615028 /nfs/dbraw/zinc/61/50/28/411615028.db2.gz DAZQKWLUHQUFEA-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO C[C@@H]1C[C@H](NCCOCCF)CC[N@@H+]1C ZINC000663460671 411662103 /nfs/dbraw/zinc/66/21/03/411662103.db2.gz CMFSLRZFOUERLC-GHMZBOCLSA-N 1 3 218.316 1.045 20 0 BDADHO C[C@@H]1C[C@H](NCCOCCF)CC[N@H+]1C ZINC000663460671 411662107 /nfs/dbraw/zinc/66/21/07/411662107.db2.gz CMFSLRZFOUERLC-GHMZBOCLSA-N 1 3 218.316 1.045 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC2(COC2)C1 ZINC000662073770 411973590 /nfs/dbraw/zinc/97/35/90/411973590.db2.gz LYRRDXHZGINRJJ-LBPRGKRZSA-N 1 3 224.348 1.193 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC2(COC2)C1 ZINC000662073770 411973594 /nfs/dbraw/zinc/97/35/94/411973594.db2.gz LYRRDXHZGINRJJ-LBPRGKRZSA-N 1 3 224.348 1.193 20 0 BDADHO CO[C@H](CN(C)C1CC[NH2+]CC1)C1CCCC1 ZINC000662238728 412034837 /nfs/dbraw/zinc/03/48/37/412034837.db2.gz UWVNAWSPRPSQPY-CQSZACIVSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](C[N@H+](C)C1CCNCC1)C1CCCC1 ZINC000662238728 412034839 /nfs/dbraw/zinc/03/48/39/412034839.db2.gz UWVNAWSPRPSQPY-CQSZACIVSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](C[N@@H+](C)C1CCNCC1)C1CCCC1 ZINC000662238728 412034845 /nfs/dbraw/zinc/03/48/45/412034845.db2.gz UWVNAWSPRPSQPY-CQSZACIVSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+](CCO[C@H]1CC1(F)F)C1CCNCC1 ZINC000662238456 412035669 /nfs/dbraw/zinc/03/56/69/412035669.db2.gz QBTRLHNPBHZBBZ-JTQLQIEISA-N 1 3 234.290 1.094 20 0 BDADHO C[N@@H+](CCO[C@H]1CC1(F)F)C1CCNCC1 ZINC000662238456 412035673 /nfs/dbraw/zinc/03/56/73/412035673.db2.gz QBTRLHNPBHZBBZ-JTQLQIEISA-N 1 3 234.290 1.094 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1N ZINC000662242937 412037726 /nfs/dbraw/zinc/03/77/26/412037726.db2.gz FOIITAUPCVRVFJ-UJPOAAIJSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1N ZINC000662242937 412037729 /nfs/dbraw/zinc/03/77/29/412037729.db2.gz FOIITAUPCVRVFJ-UJPOAAIJSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@H]1[NH3+] ZINC000662242937 412037733 /nfs/dbraw/zinc/03/77/33/412037733.db2.gz FOIITAUPCVRVFJ-UJPOAAIJSA-N 1 3 208.349 1.702 20 0 BDADHO CO[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)C1CCC1 ZINC000662243233 412038494 /nfs/dbraw/zinc/03/84/94/412038494.db2.gz GYBUIDVWTLTTOI-WCFLWFBJSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](CN1CCC[C@@H](C)[C@@H]1C[NH3+])C1CCC1 ZINC000662243414 412038740 /nfs/dbraw/zinc/03/87/40/412038740.db2.gz AGVYSEYWXJFPPA-KWCYVHTRSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](CN)C1 ZINC000662245252 412041742 /nfs/dbraw/zinc/04/17/42/412041742.db2.gz JMCNDVPBJUQHTA-ZJUUUORDSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](CN)C1 ZINC000662245252 412041746 /nfs/dbraw/zinc/04/17/46/412041746.db2.gz JMCNDVPBJUQHTA-ZJUUUORDSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@H](CC(F)F)CN1CC[C@@H](C[NH3+])C1 ZINC000662245252 412041749 /nfs/dbraw/zinc/04/17/49/412041749.db2.gz JMCNDVPBJUQHTA-ZJUUUORDSA-N 1 3 220.307 1.948 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@@H](CN)C1)C1CCCC1 ZINC000662247555 412045193 /nfs/dbraw/zinc/04/51/93/412045193.db2.gz XPUFULZXVOHERZ-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@@H](CN)C1)C1CCCC1 ZINC000662247555 412045194 /nfs/dbraw/zinc/04/51/94/412045194.db2.gz XPUFULZXVOHERZ-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251530 412048793 /nfs/dbraw/zinc/04/87/93/412048793.db2.gz GMOIABHHBWRFQQ-ZDUSSCGKSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251530 412048795 /nfs/dbraw/zinc/04/87/95/412048795.db2.gz GMOIABHHBWRFQQ-ZDUSSCGKSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@H+](CC1CCCC1)C[C@H]1CCC2(CNC2)O1 ZINC000662253255 412049503 /nfs/dbraw/zinc/04/95/03/412049503.db2.gz GVEFDJRXPULIDF-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO C[N@@H+](CC1CCCC1)C[C@H]1CCC2(CNC2)O1 ZINC000662253255 412049505 /nfs/dbraw/zinc/04/95/05/412049505.db2.gz GVEFDJRXPULIDF-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662259153 412053240 /nfs/dbraw/zinc/05/32/40/412053240.db2.gz RBOKMRDZMSYQNP-IJLUTSLNSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662259153 412053243 /nfs/dbraw/zinc/05/32/43/412053243.db2.gz RBOKMRDZMSYQNP-IJLUTSLNSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662259155 412054605 /nfs/dbraw/zinc/05/46/05/412054605.db2.gz RBOKMRDZMSYQNP-WOPDTQHZSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662259155 412054609 /nfs/dbraw/zinc/05/46/09/412054609.db2.gz RBOKMRDZMSYQNP-WOPDTQHZSA-N 1 3 224.348 1.238 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000341009153 171085152 /nfs/dbraw/zinc/08/51/52/171085152.db2.gz LMEPQFPIKUKNOE-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000341009153 171085154 /nfs/dbraw/zinc/08/51/54/171085154.db2.gz LMEPQFPIKUKNOE-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCNCC1(C)C)C1CCC1 ZINC000662275532 412067426 /nfs/dbraw/zinc/06/74/26/412067426.db2.gz BVXAROKVTMWQGG-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](CN[C@@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275532 412067427 /nfs/dbraw/zinc/06/74/27/412067427.db2.gz BVXAROKVTMWQGG-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@@H](CN[C@H](C[NH3+])C1CCCCC1)OC ZINC000662276178 412067441 /nfs/dbraw/zinc/06/74/41/412067441.db2.gz GPTJCRLJSXAPTL-CHWSQXEVSA-N 1 3 244.379 1.145 20 0 BDADHO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279836 412070745 /nfs/dbraw/zinc/07/07/45/412070745.db2.gz MEYDOFZTHBUCHI-XQQFMLRXSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279836 412070746 /nfs/dbraw/zinc/07/07/46/412070746.db2.gz MEYDOFZTHBUCHI-XQQFMLRXSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@]1(C)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128524869 171207151 /nfs/dbraw/zinc/20/71/51/171207151.db2.gz HDBRFCXUTRCRMM-UZWSLXQKSA-N 1 3 224.348 1.809 20 0 BDADHO C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662302861 412083667 /nfs/dbraw/zinc/08/36/67/412083667.db2.gz OOXGVBJLEGGRDF-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)CC)N(C)C ZINC000126515224 171307158 /nfs/dbraw/zinc/30/71/58/171307158.db2.gz CXDNQKBAEVVXLY-NWDGAFQWSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)N(C)C ZINC000126515224 171307159 /nfs/dbraw/zinc/30/71/59/171307159.db2.gz CXDNQKBAEVVXLY-NWDGAFQWSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@H]1CCC[NH2+]CC1 ZINC000129159761 171324252 /nfs/dbraw/zinc/32/42/52/171324252.db2.gz FHPSHTVIXQJRPV-RYUDHWBXSA-N 1 3 241.379 1.023 20 0 BDADHO C[C@H](CO)[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000662300953 412085707 /nfs/dbraw/zinc/08/57/07/412085707.db2.gz NVYYFJVLHNNLAM-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000228509202 171395889 /nfs/dbraw/zinc/39/58/89/171395889.db2.gz CRJKPTLMDMLVAO-TUAOUCFPSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000228509202 171395890 /nfs/dbraw/zinc/39/58/90/171395890.db2.gz CRJKPTLMDMLVAO-TUAOUCFPSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295222902 171396136 /nfs/dbraw/zinc/39/61/36/171396136.db2.gz MWYVHRZQQXHLLS-GWCFXTLKSA-N 1 3 249.358 1.718 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](CCF)C1 ZINC000662311472 412093933 /nfs/dbraw/zinc/09/39/33/412093933.db2.gz SMMSYMSJMQZJDH-RYUDHWBXSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662311472 412093937 /nfs/dbraw/zinc/09/39/37/412093937.db2.gz SMMSYMSJMQZJDH-RYUDHWBXSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000662311472 412093941 /nfs/dbraw/zinc/09/39/41/412093941.db2.gz SMMSYMSJMQZJDH-RYUDHWBXSA-N 1 3 232.343 1.028 20 0 BDADHO FCC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000662312188 412094474 /nfs/dbraw/zinc/09/44/74/412094474.db2.gz XAZLQCWLYBTLIF-RYUDHWBXSA-N 1 3 214.328 1.668 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317069 412097943 /nfs/dbraw/zinc/09/79/43/412097943.db2.gz MKIOEENNWGMIJC-ZIAGYGMSSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662317069 412097946 /nfs/dbraw/zinc/09/79/46/412097946.db2.gz MKIOEENNWGMIJC-ZIAGYGMSSA-N 1 3 240.391 1.469 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C2CCC2)C1 ZINC000662317069 412097947 /nfs/dbraw/zinc/09/79/47/412097947.db2.gz MKIOEENNWGMIJC-ZIAGYGMSSA-N 1 3 240.391 1.469 20 0 BDADHO CCCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321466 412101340 /nfs/dbraw/zinc/10/13/40/412101340.db2.gz ISESZOOGBPVFQG-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO Cc1ccncc1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000665238932 412180081 /nfs/dbraw/zinc/18/00/81/412180081.db2.gz HVXJERDIVZNXPF-HIFRSBDPSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000665238932 412180085 /nfs/dbraw/zinc/18/00/85/412180085.db2.gz HVXJERDIVZNXPF-HIFRSBDPSA-N 1 3 247.386 1.910 20 0 BDADHO CO[C@@H](C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000665244583 412188935 /nfs/dbraw/zinc/18/89/35/412188935.db2.gz RCACSCYVTULACC-DCAQKATOSA-N 1 3 200.326 1.271 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(N)CCCC1 ZINC000665249598 412195113 /nfs/dbraw/zinc/19/51/13/412195113.db2.gz UEVOTDXOURIQAR-AAEUAGOBSA-N 1 3 237.391 1.330 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249598 412195116 /nfs/dbraw/zinc/19/51/16/412195116.db2.gz UEVOTDXOURIQAR-AAEUAGOBSA-N 1 3 237.391 1.330 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665261765 412204223 /nfs/dbraw/zinc/20/42/23/412204223.db2.gz KVANEVNQMRKHIF-BXKDBHETSA-N 1 3 237.347 1.270 20 0 BDADHO CNCc1ccccc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662399669 412148552 /nfs/dbraw/zinc/14/85/52/412148552.db2.gz ZOYYTCCWFDKYJR-XYPYZODXSA-N 1 3 233.315 1.082 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(N)c1 ZINC000665231962 412170284 /nfs/dbraw/zinc/17/02/84/412170284.db2.gz CARMBKKACNYSJY-VHSXEESVSA-N 1 3 207.321 1.484 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(N)c1 ZINC000665232366 412170651 /nfs/dbraw/zinc/17/06/51/412170651.db2.gz LTEGMTVIKICFIJ-FZMZJTMJSA-N 1 3 233.359 1.747 20 0 BDADHO C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235865 412174802 /nfs/dbraw/zinc/17/48/02/412174802.db2.gz BHNAJXZDMXYBRG-JHJVBQTASA-N 1 3 239.407 1.589 20 0 BDADHO Cc1cncc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000665274487 412216735 /nfs/dbraw/zinc/21/67/35/412216735.db2.gz QYULAMWOQGFMAU-SMDDNHRTSA-N 1 3 248.374 1.305 20 0 BDADHO CCCN1CC[C@@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665274608 412216822 /nfs/dbraw/zinc/21/68/22/412216822.db2.gz UKMZCXYTGMCUMS-JHJVBQTASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C(C)(C)C1(F)F ZINC000665274664 412217378 /nfs/dbraw/zinc/21/73/78/412217378.db2.gz VLXFNISJNCAOQS-XHNCKOQMSA-N 1 3 220.307 1.993 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H](C)C1CCOCC1 ZINC000665280500 412219126 /nfs/dbraw/zinc/21/91/26/412219126.db2.gz DROAHIGQHAVFDQ-DGCLKSJQSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H](CCc1ccco1)[NH2+]CC12CC(C1)CN2 ZINC000665276499 412219235 /nfs/dbraw/zinc/21/92/35/412219235.db2.gz DXGPADPIJYGZBF-LKSINWNRSA-N 1 3 234.343 1.942 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1CCCC1 ZINC000665275204 412219892 /nfs/dbraw/zinc/21/98/92/412219892.db2.gz FFIBBJZQQOCHCN-GMXVVIOVSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662565608 412221422 /nfs/dbraw/zinc/22/14/22/412221422.db2.gz DRDWNWMHKJRWAO-AAEUAGOBSA-N 1 3 247.342 1.075 20 0 BDADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000662569484 412223548 /nfs/dbraw/zinc/22/35/48/412223548.db2.gz QSAFRKGNNNWBQS-GFCCVEGCSA-N 1 3 233.315 1.226 20 0 BDADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000662954275 412353593 /nfs/dbraw/zinc/35/35/93/412353593.db2.gz UHJNHNDLHHMZOR-GVXVVHGQSA-N 1 3 249.358 1.047 20 0 BDADHO CN1CCC[C@@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367245646 173027071 /nfs/dbraw/zinc/02/70/71/173027071.db2.gz ZLUMFMKRPTWELW-CYBMUJFWSA-N 1 3 238.375 1.726 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000368606787 173152240 /nfs/dbraw/zinc/15/22/40/173152240.db2.gz FVVPJHFFGTVOPR-ILXRZTDVSA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368606787 173152242 /nfs/dbraw/zinc/15/22/42/173152242.db2.gz FVVPJHFFGTVOPR-ILXRZTDVSA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000368606787 173152244 /nfs/dbraw/zinc/15/22/44/173152244.db2.gz FVVPJHFFGTVOPR-ILXRZTDVSA-N 1 3 247.386 1.988 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@H]2CCC[C@H]21 ZINC000353521519 173152589 /nfs/dbraw/zinc/15/25/89/173152589.db2.gz PWHVHQRTTFFBNR-YTWAJWBKSA-N 1 3 248.317 1.075 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@H]2CCC[C@H]21 ZINC000353521519 173152590 /nfs/dbraw/zinc/15/25/90/173152590.db2.gz PWHVHQRTTFFBNR-YTWAJWBKSA-N 1 3 248.317 1.075 20 0 BDADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@H]2CCC[C@H]21 ZINC000353521519 173152593 /nfs/dbraw/zinc/15/25/93/173152593.db2.gz PWHVHQRTTFFBNR-YTWAJWBKSA-N 1 3 248.317 1.075 20 0 BDADHO C[N@@H+]1CC[C@H](NCCN2CCC2)[C@@H]2CCC[C@H]21 ZINC000353640281 173152603 /nfs/dbraw/zinc/15/26/03/173152603.db2.gz BYDQQCAFTLHADS-MELADBBJSA-N 1 3 237.391 1.155 20 0 BDADHO C[N@H+]1CC[C@H](NCCN2CCC2)[C@@H]2CCC[C@H]21 ZINC000353640281 173152605 /nfs/dbraw/zinc/15/26/05/173152605.db2.gz BYDQQCAFTLHADS-MELADBBJSA-N 1 3 237.391 1.155 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000092133239 173375542 /nfs/dbraw/zinc/37/55/42/173375542.db2.gz FSIMQWRVXMPKFU-NSHDSACASA-N 1 3 249.358 1.542 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@H](C)NC2CC2)cc1 ZINC000295238018 173388797 /nfs/dbraw/zinc/38/87/97/173388797.db2.gz OTAUSQMFSWVEHV-JTQLQIEISA-N 1 3 247.342 1.485 20 0 BDADHO COC1(C[NH2+]CCOCCN(C)C)CCCC1 ZINC000319326150 174002839 /nfs/dbraw/zinc/00/28/39/174002839.db2.gz OLFBCRJPHJWPLL-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO COCC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000310258618 174074883 /nfs/dbraw/zinc/07/48/83/174074883.db2.gz HFJXDEHSPMXQGB-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310258618 174074885 /nfs/dbraw/zinc/07/48/85/174074885.db2.gz HFJXDEHSPMXQGB-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000310258618 174074887 /nfs/dbraw/zinc/07/48/87/174074887.db2.gz HFJXDEHSPMXQGB-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000234888180 174155507 /nfs/dbraw/zinc/15/55/07/174155507.db2.gz FKKMHQICUYODFP-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO COCCCCC[NH2+][C@H]1CCNCC1(C)C ZINC000300844973 174185010 /nfs/dbraw/zinc/18/50/10/174185010.db2.gz MVDDPBKEIVFNLG-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO COCCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645399 174229098 /nfs/dbraw/zinc/22/90/98/174229098.db2.gz PDWIDPNMDMEYEO-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000375898308 174339352 /nfs/dbraw/zinc/33/93/52/174339352.db2.gz QZURJRCTXDBGDX-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375898308 174339355 /nfs/dbraw/zinc/33/93/55/174339355.db2.gz QZURJRCTXDBGDX-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000375898308 174339356 /nfs/dbraw/zinc/33/93/56/174339356.db2.gz QZURJRCTXDBGDX-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO COCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000375898310 174339484 /nfs/dbraw/zinc/33/94/84/174339484.db2.gz QZURJRCTXDBGDX-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375898310 174339485 /nfs/dbraw/zinc/33/94/85/174339485.db2.gz QZURJRCTXDBGDX-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000375898310 174339487 /nfs/dbraw/zinc/33/94/87/174339487.db2.gz QZURJRCTXDBGDX-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCCOCC2)C1 ZINC000401641491 487628842 /nfs/dbraw/zinc/62/88/42/487628842.db2.gz HYXIGUYALPHDHE-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO COc1ccc(CC[NH2+]CCCN)cc1 ZINC000041620026 175091500 /nfs/dbraw/zinc/09/15/00/175091500.db2.gz ZKDRWJWKMSCPFH-UHFFFAOYSA-N 1 3 208.305 1.176 20 0 BDADHO COc1ccc(CCNCCC[NH3+])cc1 ZINC000041620026 175091501 /nfs/dbraw/zinc/09/15/01/175091501.db2.gz ZKDRWJWKMSCPFH-UHFFFAOYSA-N 1 3 208.305 1.176 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NCC[NH3+])CC2 ZINC000133237611 175210682 /nfs/dbraw/zinc/21/06/82/175210682.db2.gz BMCMHASUKPNFAU-LBPRGKRZSA-N 1 3 220.316 1.101 20 0 BDADHO COc1cccc(CNCC2CC[NH+](C)CC2)n1 ZINC000070093486 175263108 /nfs/dbraw/zinc/26/31/08/175263108.db2.gz AIIVIOGTVLDOKX-UHFFFAOYSA-N 1 3 249.358 1.522 20 0 BDADHO C[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)[C@H]1CO ZINC000305705907 176097792 /nfs/dbraw/zinc/09/77/92/176097792.db2.gz YEKXBHLNCLOALY-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)[C@H]1CO ZINC000305705907 176097794 /nfs/dbraw/zinc/09/77/94/176097794.db2.gz YEKXBHLNCLOALY-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)O1 ZINC000370722861 176223459 /nfs/dbraw/zinc/22/34/59/176223459.db2.gz UNWDUZXSTGOVJL-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](N(C)C)CC2)O1 ZINC000370722861 176223461 /nfs/dbraw/zinc/22/34/61/176223461.db2.gz UNWDUZXSTGOVJL-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000353663274 176270372 /nfs/dbraw/zinc/27/03/72/176270372.db2.gz UEBMNZBGPLWAAI-IJLUTSLNSA-N 1 3 248.374 1.197 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358412124 176275122 /nfs/dbraw/zinc/27/51/22/176275122.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358412124 176275124 /nfs/dbraw/zinc/27/51/24/176275124.db2.gz XZKSRGJISUASFM-SYQHCUMBSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1cccnc1 ZINC000122338778 176367844 /nfs/dbraw/zinc/36/78/44/176367844.db2.gz WQGMZIPGEJQBKQ-YPMHNXCESA-N 1 3 219.332 1.293 20 0 BDADHO C[C@H](c1ccccc1)N(C)CCN1CC[NH2+]CC1 ZINC000070069806 177037438 /nfs/dbraw/zinc/03/74/38/177037438.db2.gz YPCKPHUGOPICNA-CQSZACIVSA-N 1 3 247.386 1.585 20 0 BDADHO C[C@H]1CCC[C@H](C)[NH+]1CCN1CCNCC1 ZINC000037482554 177131664 /nfs/dbraw/zinc/13/16/64/177131664.db2.gz VNNOEILARNRWPI-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO C[C@H]1CCOCC[N@@H+]1CCCN1CCCC1 ZINC000374986856 177176973 /nfs/dbraw/zinc/17/69/73/177176973.db2.gz BVFNUOXJOVCHLF-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO C[C@H]1CCOCC[N@H+]1CCCN1CCCC1 ZINC000374986856 177176975 /nfs/dbraw/zinc/17/69/75/177176975.db2.gz BVFNUOXJOVCHLF-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c(c1)CCO2 ZINC000216070198 177324421 /nfs/dbraw/zinc/32/44/21/177324421.db2.gz LBUWMSSAESGWPW-AAEUAGOBSA-N 1 3 246.354 1.791 20 0 BDADHO C[C@H]1C[C@@H](NCCc2cnccn2)CC[N@@H+]1C ZINC000341883023 177332598 /nfs/dbraw/zinc/33/25/98/177332598.db2.gz TZKJPRVMKUMOMR-RYUDHWBXSA-N 1 3 234.347 1.091 20 0 BDADHO C[C@H]1C[C@@H](NCCc2cnccn2)CC[N@H+]1C ZINC000341883023 177332599 /nfs/dbraw/zinc/33/25/99/177332599.db2.gz TZKJPRVMKUMOMR-RYUDHWBXSA-N 1 3 234.347 1.091 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCOC2)C[C@@H]1CN ZINC000400554435 226346255 /nfs/dbraw/zinc/34/62/55/226346255.db2.gz PHWRKRNXRNUGQX-RQJABVFESA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1CN ZINC000400554435 226346256 /nfs/dbraw/zinc/34/62/56/226346256.db2.gz PHWRKRNXRNUGQX-RQJABVFESA-N 1 3 240.391 1.718 20 0 BDADHO CCOc1ccccc1CCNCCC[NH3+] ZINC000415080850 487666494 /nfs/dbraw/zinc/66/64/94/487666494.db2.gz MFASIZRBYYWVGP-UHFFFAOYSA-N 1 3 222.332 1.566 20 0 BDADHO CCOc1ccccc1CC[NH2+]CCCN ZINC000415080850 487666500 /nfs/dbraw/zinc/66/65/00/487666500.db2.gz MFASIZRBYYWVGP-UHFFFAOYSA-N 1 3 222.332 1.566 20 0 BDADHO COC[C@@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335832503 487667680 /nfs/dbraw/zinc/66/76/80/487667680.db2.gz CRMNAGBCQDUXIO-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335832503 487667682 /nfs/dbraw/zinc/66/76/82/487667682.db2.gz CRMNAGBCQDUXIO-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335832503 487667683 /nfs/dbraw/zinc/66/76/83/487667683.db2.gz CRMNAGBCQDUXIO-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]CC1CCN(Cc2cncc(C)c2)CC1 ZINC000228619163 487695340 /nfs/dbraw/zinc/69/53/40/487695340.db2.gz KZEDXKBWFXSTRX-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO CCC[C@@H](C)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309256096 487707902 /nfs/dbraw/zinc/70/79/02/487707902.db2.gz OGMNRBBAFKUGAK-CHWSQXEVSA-N 1 3 230.396 1.808 20 0 BDADHO CCC[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309256096 487707908 /nfs/dbraw/zinc/70/79/08/487707908.db2.gz OGMNRBBAFKUGAK-CHWSQXEVSA-N 1 3 230.396 1.808 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000251276244 487752723 /nfs/dbraw/zinc/75/27/23/487752723.db2.gz MIHCVYPIPSIDOL-YNEHKIRRSA-N 1 3 226.364 1.663 20 0 BDADHO CC[C@@H](C(=O)N(C)CCCC[NH+](C)C)N(C)C ZINC000675801303 487780373 /nfs/dbraw/zinc/78/03/73/487780373.db2.gz CENKEZOBLCLMRS-LBPRGKRZSA-N 1 3 243.395 1.127 20 0 BDADHO Nc1ccc2c(c1)CCC[C@H]2NCCC[NH3+] ZINC000414921585 487829381 /nfs/dbraw/zinc/82/93/81/487829381.db2.gz DWEGNFIZMAROFR-CYBMUJFWSA-N 1 3 219.332 1.585 20 0 BDADHO NCCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000415080123 487836071 /nfs/dbraw/zinc/83/60/71/487836071.db2.gz LBZKKWHEFLMBFR-GFCCVEGCSA-N 1 3 204.317 1.655 20 0 BDADHO C[C@@H](COc1cccc(F)c1)NCCC[NH3+] ZINC000415082809 487836365 /nfs/dbraw/zinc/83/63/65/487836365.db2.gz OWMHHFJIRNMJKT-JTQLQIEISA-N 1 3 226.295 1.531 20 0 BDADHO [NH3+]CCCNCc1ccc(Cn2ccnc2)cc1 ZINC000415087986 487836566 /nfs/dbraw/zinc/83/65/66/487836566.db2.gz ULHMJCUBOITFJO-UHFFFAOYSA-N 1 3 244.342 1.370 20 0 BDADHO [NH3+]CCCNCc1ccccc1Cn1cccn1 ZINC000415101480 487837129 /nfs/dbraw/zinc/83/71/29/487837129.db2.gz IODHNNYAVHASNQ-UHFFFAOYSA-N 1 3 244.342 1.370 20 0 BDADHO Cc1ccccc1C1(C[NH2+]CCCN)CC1 ZINC000415106830 487837832 /nfs/dbraw/zinc/83/78/32/487837832.db2.gz NJNFZJOMVAXAKX-UHFFFAOYSA-N 1 3 218.344 1.965 20 0 BDADHO Cc1ccccc1C1(CNCCC[NH3+])CC1 ZINC000415106830 487837835 /nfs/dbraw/zinc/83/78/35/487837835.db2.gz NJNFZJOMVAXAKX-UHFFFAOYSA-N 1 3 218.344 1.965 20 0 BDADHO C[C@H](CC1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000666769850 487875406 /nfs/dbraw/zinc/87/54/06/487875406.db2.gz FZNVVLUHNQAEPH-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000666770219 487877060 /nfs/dbraw/zinc/87/70/60/487877060.db2.gz PKDDYKOAJYXNEK-RDBSUJKOSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)n1nccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666953769 487915891 /nfs/dbraw/zinc/91/58/91/487915891.db2.gz HKLDICJTVLZLOB-CYBMUJFWSA-N 1 3 248.374 1.696 20 0 BDADHO C[C@@H](Cn1cccn1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995023 487925142 /nfs/dbraw/zinc/92/51/42/487925142.db2.gz AJPUQLYFYVDWIY-QWHCGFSZSA-N 1 3 248.374 1.536 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995023 487925147 /nfs/dbraw/zinc/92/51/47/487925147.db2.gz AJPUQLYFYVDWIY-QWHCGFSZSA-N 1 3 248.374 1.536 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)CN(C)C ZINC000562342276 323017161 /nfs/dbraw/zinc/01/71/61/323017161.db2.gz PJONDIUBSGNWCP-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1C[C@H]1C ZINC000397506390 323029981 /nfs/dbraw/zinc/02/99/81/323029981.db2.gz DKAAGVJLFPZILW-AGIUHOORSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562959626 323035327 /nfs/dbraw/zinc/03/53/27/323035327.db2.gz NIRFNABTEHMQMD-ASEORRQLSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCCNC1 ZINC000562959626 323035328 /nfs/dbraw/zinc/03/53/28/323035328.db2.gz NIRFNABTEHMQMD-ASEORRQLSA-N 1 3 238.375 1.532 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708980 323038108 /nfs/dbraw/zinc/03/81/08/323038108.db2.gz WZJKCDCLEVFDKS-VXGBXAGGSA-N 1 3 244.354 1.612 20 0 BDADHO CCC[C@H](C)[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000570174362 323052082 /nfs/dbraw/zinc/05/20/82/323052082.db2.gz XWRFXWVYLSQZAP-ZDUSSCGKSA-N 1 3 242.407 2.000 20 0 BDADHO Cc1noc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)n1 ZINC000570528781 323062429 /nfs/dbraw/zinc/06/24/29/323062429.db2.gz DLYMWFVVKFKEBR-MNOVXSKESA-N 1 3 238.335 1.170 20 0 BDADHO Cc1noc(CCCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000570528781 323062428 /nfs/dbraw/zinc/06/24/28/323062428.db2.gz DLYMWFVVKFKEBR-MNOVXSKESA-N 1 3 238.335 1.170 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000563154567 323095813 /nfs/dbraw/zinc/09/58/13/323095813.db2.gz PVCPGDMPJTYWSQ-YFKTTZPYSA-N 1 3 214.328 1.984 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268856 323107267 /nfs/dbraw/zinc/10/72/67/323107267.db2.gz NCTSPJLLKYKPTC-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268856 323107268 /nfs/dbraw/zinc/10/72/68/323107268.db2.gz NCTSPJLLKYKPTC-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](CC(C)C)C1 ZINC000563268856 323107269 /nfs/dbraw/zinc/10/72/69/323107269.db2.gz NCTSPJLLKYKPTC-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2CN)C[C@H](C)O1 ZINC000563435563 323125489 /nfs/dbraw/zinc/12/54/89/323125489.db2.gz NAKROTHDUJEHAJ-FPYNETTCSA-N 1 3 226.364 1.659 20 0 BDADHO CCn1ccnc1CNCCC[C@H]1CCC[NH2+]1 ZINC000563452390 323126509 /nfs/dbraw/zinc/12/65/09/323126509.db2.gz FYTYJUINUNZXBY-LBPRGKRZSA-N 1 3 236.363 1.525 20 0 BDADHO C[C@@H]1CC2(CN1Cc1ccn(C)n1)CC[NH2+]CC2 ZINC000563803756 323178362 /nfs/dbraw/zinc/17/83/62/323178362.db2.gz ALYHEFRUOBGLIF-GFCCVEGCSA-N 1 3 248.374 1.384 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000395116269 323187512 /nfs/dbraw/zinc/18/75/12/323187512.db2.gz DKTWFPIVUZNIIH-RYUDHWBXSA-N 1 3 241.379 1.021 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])C2CC2)C1(C)C ZINC000399324357 323203828 /nfs/dbraw/zinc/20/38/28/323203828.db2.gz KGCOAZJIAFEUGD-SDDRHHMPSA-N 1 3 226.364 1.517 20 0 BDADHO C1CC1N1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530216219 323216849 /nfs/dbraw/zinc/21/68/49/323216849.db2.gz OGHZOXRVQUNMJU-AWEZNQCLSA-N 1 3 249.402 1.487 20 0 BDADHO C1=CCN(CCNC2CC[NH+](C3CC3)CC2)CC1 ZINC000392272784 323377077 /nfs/dbraw/zinc/37/70/77/323377077.db2.gz WEJAFRZGPSTBBS-UHFFFAOYSA-N 1 3 249.402 1.465 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000572497340 324133847 /nfs/dbraw/zinc/13/38/47/324133847.db2.gz LPQVIYNSHPYTGX-IJLUTSLNSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@H]1Cc2ccccc2NC1=O ZINC000530224859 324545534 /nfs/dbraw/zinc/54/55/34/324545534.db2.gz MWNTVBCSLSBIEW-GWCFXTLKSA-N 1 3 247.342 1.267 20 0 BDADHO CCN(C[C@H](O)C[N@H+](C)CC)C1CCC1 ZINC000653558253 487964623 /nfs/dbraw/zinc/96/46/23/487964623.db2.gz YREHWHGXANOZKT-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(C[C@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000653558253 487964625 /nfs/dbraw/zinc/96/46/25/487964625.db2.gz YREHWHGXANOZKT-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)N(C)C[C@H](C)C[NH3+] ZINC001172745820 974918410 /nfs/dbraw/zinc/91/84/10/974918410.db2.gz KSBBYMZLOJOLRG-VXGBXAGGSA-N 1 3 244.379 1.633 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)C1CC1 ZINC000130739320 325083222 /nfs/dbraw/zinc/08/32/22/325083222.db2.gz CFTNRZBZVWYNCJ-UPJWGTAASA-N 1 3 239.407 1.541 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172745820 974918422 /nfs/dbraw/zinc/91/84/22/974918422.db2.gz KSBBYMZLOJOLRG-VXGBXAGGSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001172745820 974918415 /nfs/dbraw/zinc/91/84/15/974918415.db2.gz KSBBYMZLOJOLRG-VXGBXAGGSA-N 1 3 244.379 1.633 20 0 BDADHO CC[NH2+]CCCN[C@H]1CCCSC1 ZINC000565710252 325946474 /nfs/dbraw/zinc/94/64/74/325946474.db2.gz BSEUAXITSNBXLS-JTQLQIEISA-N 1 3 202.367 1.471 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000153368425 325951426 /nfs/dbraw/zinc/95/14/26/325951426.db2.gz QQNJMUDWKSOCLK-OLZOCXBDSA-N 1 3 228.380 1.590 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c[nH]nc2c1 ZINC000566229884 326019320 /nfs/dbraw/zinc/01/93/20/326019320.db2.gz RFWCVJPKNKYZSB-UWVGGRQHSA-N 1 3 232.331 1.778 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482014 326055804 /nfs/dbraw/zinc/05/58/04/326055804.db2.gz LPVQAELYOBLCAK-RVMXOQNASA-N 1 3 208.349 1.892 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)CNC1CC1 ZINC000567042106 326105148 /nfs/dbraw/zinc/10/51/48/326105148.db2.gz INBYPLDOAQZBKU-UHFFFAOYSA-N 1 3 247.342 1.487 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000567893664 326278482 /nfs/dbraw/zinc/27/84/82/326278482.db2.gz ICHCRAQDWZEUKX-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)[C@@H](C(=O)NCC[NH2+]C(C)(C)C)N(C)C ZINC000157711575 326291796 /nfs/dbraw/zinc/29/17/96/326291796.db2.gz NDODUPHIGHNZBS-NSHDSACASA-N 1 3 243.395 1.077 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCCC12CC2 ZINC000568276840 326340030 /nfs/dbraw/zinc/34/00/30/326340030.db2.gz QBZDSECELLZZBD-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CCC[C@H](C)CN1CCC([NH2+]CCO)CC1 ZINC000309586991 487990793 /nfs/dbraw/zinc/99/07/93/487990793.db2.gz SDZRCHFQOSBINZ-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CCN1CCCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000236825151 488090858 /nfs/dbraw/zinc/09/08/58/488090858.db2.gz ZRYQDRWTTWYLFR-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)C[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508343 488108880 /nfs/dbraw/zinc/10/88/80/488108880.db2.gz MVBUIBZEOLNLAY-GFCCVEGCSA-N 1 3 235.331 1.457 20 0 BDADHO CN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC([NH3+])C1 ZINC000403086368 488113496 /nfs/dbraw/zinc/11/34/96/488113496.db2.gz QEWOIMZTXJGTJF-VFPQWFPESA-N 1 3 208.349 1.844 20 0 BDADHO CC(C)([NH3+])CC(=O)Nc1ccc2c(c1)CNCC2 ZINC000669510940 488114817 /nfs/dbraw/zinc/11/48/17/488114817.db2.gz HOKUQIRRZHLWDU-UHFFFAOYSA-N 1 3 247.342 1.398 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1COC ZINC000683140587 488118363 /nfs/dbraw/zinc/11/83/63/488118363.db2.gz AXXIXZVGUSXWFH-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1COC ZINC000683140587 488118366 /nfs/dbraw/zinc/11/83/66/488118366.db2.gz AXXIXZVGUSXWFH-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667823484 488130176 /nfs/dbraw/zinc/13/01/76/488130176.db2.gz SIBJOFYVQNVTPB-WXHSDQCUSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOCc1ccccc1 ZINC000309747381 487541156 /nfs/dbraw/zinc/54/11/56/487541156.db2.gz UWJHTLMVDPEMDA-ZFWWWQNUSA-N 1 3 248.370 1.872 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000674302104 487555012 /nfs/dbraw/zinc/55/50/12/487555012.db2.gz JOQWJZCHVNKRAJ-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@H]2CCCOC2)C1 ZINC000674302104 487555015 /nfs/dbraw/zinc/55/50/15/487555015.db2.gz JOQWJZCHVNKRAJ-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302105 487555125 /nfs/dbraw/zinc/55/51/25/487555125.db2.gz JOQWJZCHVNKRAJ-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302105 487555132 /nfs/dbraw/zinc/55/51/32/487555132.db2.gz JOQWJZCHVNKRAJ-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO Cc1nnc(CCN[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000391805616 487493647 /nfs/dbraw/zinc/49/36/47/487493647.db2.gz GCTVNRKQMRRUBX-ZJUUUORDSA-N 1 3 240.376 1.249 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@@H](C[NH3+])C[C@@H]2C)O1 ZINC000227067906 487494049 /nfs/dbraw/zinc/49/40/49/487494049.db2.gz HJFQXFQBAMJLED-IRCOFANPSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](CN)C[C@@H]2C)O1 ZINC000227067906 487494057 /nfs/dbraw/zinc/49/40/57/487494057.db2.gz HJFQXFQBAMJLED-IRCOFANPSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](CN)C[C@@H]2C)O1 ZINC000227067906 487494058 /nfs/dbraw/zinc/49/40/58/487494058.db2.gz HJFQXFQBAMJLED-IRCOFANPSA-N 1 3 212.337 1.223 20 0 BDADHO CC(C)(CCN1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000406005490 487495755 /nfs/dbraw/zinc/49/57/55/487495755.db2.gz RRZJJQSCVVQGKY-CYBMUJFWSA-N 1 3 240.391 1.862 20 0 BDADHO Cc1nocc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274259 487523195 /nfs/dbraw/zinc/52/31/95/487523195.db2.gz SJONQBIKAPVXBY-QWHCGFSZSA-N 1 3 249.358 1.805 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCCC[C@@H]1C ZINC000379889103 488154712 /nfs/dbraw/zinc/15/47/12/488154712.db2.gz ADRDSKJYWXIRQL-KBPBESRZSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCCC[C@@H]1C ZINC000379889103 488154716 /nfs/dbraw/zinc/15/47/16/488154716.db2.gz ADRDSKJYWXIRQL-KBPBESRZSA-N 1 3 242.407 1.952 20 0 BDADHO C(C[NH2+][C@H]1CO[C@H](C2CC2)C1)CN1CCCC1 ZINC000667928100 488161111 /nfs/dbraw/zinc/16/11/11/488161111.db2.gz PEJSEYYIJIILQW-KGLIPLIRSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@H]1CO[C@H](C2CC2)C1)C[NH+]1CCCC1 ZINC000667928100 488161114 /nfs/dbraw/zinc/16/11/14/488161114.db2.gz PEJSEYYIJIILQW-KGLIPLIRSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662568285 487661004 /nfs/dbraw/zinc/66/10/04/487661004.db2.gz QSYCHHXWOYNPFZ-KWBADKCTSA-N 1 3 247.342 1.073 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCCc1cncn1C ZINC000314401034 487665368 /nfs/dbraw/zinc/66/53/68/487665368.db2.gz TWNBSKUCMBUXCO-NWDGAFQWSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCc1cncn1C ZINC000314401034 487665372 /nfs/dbraw/zinc/66/53/72/487665372.db2.gz TWNBSKUCMBUXCO-NWDGAFQWSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCc1cncn1C ZINC000314401034 487665374 /nfs/dbraw/zinc/66/53/74/487665374.db2.gz TWNBSKUCMBUXCO-NWDGAFQWSA-N 1 3 236.363 1.022 20 0 BDADHO CCCN1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000666946495 487908644 /nfs/dbraw/zinc/90/86/44/487908644.db2.gz FMCNEVWLMDZSFZ-AAEUAGOBSA-N 1 3 243.370 1.150 20 0 BDADHO c1ccc2c(c1)CC[C@H]([NH2+]CC13CC(C1)CN3)C2 ZINC000663499557 488047780 /nfs/dbraw/zinc/04/77/80/488047780.db2.gz YHFUTWAZWSXPKK-NRAUKZCXSA-N 1 3 242.366 1.886 20 0 BDADHO CC(C)C[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000669520684 488142106 /nfs/dbraw/zinc/14/21/06/488142106.db2.gz ZPJNKEGCGHLPQU-VXGBXAGGSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCCn2nccc21 ZINC000657859290 488152894 /nfs/dbraw/zinc/15/28/94/488152894.db2.gz RYOCUQNBYTZTMP-NEPJUHHUSA-N 1 3 236.363 1.648 20 0 BDADHO C(C[NH2+][C@@H]1CO[C@H](C2CC2)C1)CN1CCCC1 ZINC000667928099 488161044 /nfs/dbraw/zinc/16/10/44/488161044.db2.gz PEJSEYYIJIILQW-KBPBESRZSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@@H]1CO[C@H](C2CC2)C1)C[NH+]1CCCC1 ZINC000667928099 488161047 /nfs/dbraw/zinc/16/10/47/488161047.db2.gz PEJSEYYIJIILQW-KBPBESRZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(CCC(C)C)C1CC1 ZINC000380106666 488173922 /nfs/dbraw/zinc/17/39/22/488173922.db2.gz YRCTXYWNIAPZLZ-CQSZACIVSA-N 1 3 242.407 1.810 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(CCC(C)C)C1CC1 ZINC000380106666 488173926 /nfs/dbraw/zinc/17/39/26/488173926.db2.gz YRCTXYWNIAPZLZ-CQSZACIVSA-N 1 3 242.407 1.810 20 0 BDADHO Cc1nccn1CCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000678073008 488191125 /nfs/dbraw/zinc/19/11/25/488191125.db2.gz HSNQEFWAMVTGLZ-OKILXGFUSA-N 1 3 248.374 1.123 20 0 BDADHO CN1CCCN(CCC[NH2+]CC2(C)CC2)CC1 ZINC000683769723 488218012 /nfs/dbraw/zinc/21/80/12/488218012.db2.gz ZBSPJBMYOCOBHW-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO C[C@H](NCc1nccn1C)C1CC[NH+](C)CC1 ZINC000071273153 490260054 /nfs/dbraw/zinc/26/00/54/490260054.db2.gz NYYCBUOXDHLULZ-NSHDSACASA-N 1 3 236.363 1.240 20 0 BDADHO C[C@H](NCc1ccnn1C)C1CC[NH+](C)CC1 ZINC000071333298 490260095 /nfs/dbraw/zinc/26/00/95/490260095.db2.gz AMYRPRWOOYGPCS-NSHDSACASA-N 1 3 236.363 1.240 20 0 BDADHO C[C@@H](NCc1ccnn1C)C1CC[NH+](C)CC1 ZINC000071333300 490260399 /nfs/dbraw/zinc/26/03/99/490260399.db2.gz AMYRPRWOOYGPCS-LLVKDONJSA-N 1 3 236.363 1.240 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741420 491101168 /nfs/dbraw/zinc/10/11/68/491101168.db2.gz DMDNMNNICLFFJB-OFTGVCEQSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741420 491101169 /nfs/dbraw/zinc/10/11/69/491101169.db2.gz DMDNMNNICLFFJB-OFTGVCEQSA-N 1 3 224.348 1.284 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccncc2)C1 ZINC000086402367 491123870 /nfs/dbraw/zinc/12/38/70/491123870.db2.gz VLRXSHVMRFIHKG-VXGBXAGGSA-N 1 3 205.305 1.441 20 0 BDADHO C[C@H](NCCCCCC[NH3+])c1nccn1C ZINC000843342055 582486493 /nfs/dbraw/zinc/48/64/93/582486493.db2.gz MZGFAEALKGVIAC-NSHDSACASA-N 1 3 224.352 1.590 20 0 BDADHO C[C@H](CCCC[NH3+])NC(=O)[C@]1(C)CCCCN1 ZINC000495147014 533842884 /nfs/dbraw/zinc/84/28/84/533842884.db2.gz NCZRVRLKGYAOIV-YPMHNXCESA-N 1 3 241.379 1.152 20 0 BDADHO CC(C)(C)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257685288 534604535 /nfs/dbraw/zinc/60/45/35/534604535.db2.gz HYOOFQNTPIJFFZ-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO C[N@@H+](Cc1cccc2ccccc21)C[C@H](O)CN ZINC000259115952 536477591 /nfs/dbraw/zinc/47/75/91/536477591.db2.gz SUONAFSMSXPWAI-CQSZACIVSA-N 1 3 244.338 1.591 20 0 BDADHO C[N@H+](Cc1cccc2ccccc21)C[C@H](O)CN ZINC000259115952 536477594 /nfs/dbraw/zinc/47/75/94/536477594.db2.gz SUONAFSMSXPWAI-CQSZACIVSA-N 1 3 244.338 1.591 20 0 BDADHO C(C[NH2+]CC[C@@H]1CCOC1)CN1CCCCC1 ZINC000401407254 527484472 /nfs/dbraw/zinc/48/44/72/527484472.db2.gz OSAFPABOCJGLME-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO CCCN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000233034808 534927934 /nfs/dbraw/zinc/92/79/34/534927934.db2.gz VLWJZABDQKNZTP-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@](C)(N)CCC ZINC000262615213 535354753 /nfs/dbraw/zinc/35/47/53/535354753.db2.gz XWTKFGVSCOWVDX-CMPLNLGQSA-N 1 3 229.368 1.138 20 0 BDADHO CCN1CCN(CCC[NH2+][C@@H](C)C2CC2)CC1 ZINC000177212745 535699210 /nfs/dbraw/zinc/69/92/10/535699210.db2.gz YOGNPLGIJAYYRJ-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CN(C)Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000261765678 536011967 /nfs/dbraw/zinc/01/19/67/536011967.db2.gz LXVRTILFARLNEM-UHFFFAOYSA-N 1 3 246.358 1.187 20 0 BDADHO CN(C)Cc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000261740285 536032917 /nfs/dbraw/zinc/03/29/17/536032917.db2.gz ILIJKPZALKYPGD-UHFFFAOYSA-N 1 3 246.358 1.187 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000261534126 536706905 /nfs/dbraw/zinc/70/69/05/536706905.db2.gz NKDGOGYIFYUITE-XQHKEYJVSA-N 1 3 226.364 1.661 20 0 BDADHO COCCCCC[N@@H+]1CC[C@@H](CN)C1 ZINC000226419779 536872040 /nfs/dbraw/zinc/87/20/40/536872040.db2.gz VPKYTYWPRNLABG-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO COCCCCC[N@H+]1CC[C@@H](CN)C1 ZINC000226419779 536872048 /nfs/dbraw/zinc/87/20/48/536872048.db2.gz VPKYTYWPRNLABG-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO COCCCCC[N@@H+]1CC[C@H](CN)C1 ZINC000226419785 536872709 /nfs/dbraw/zinc/87/27/09/536872709.db2.gz VPKYTYWPRNLABG-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO COCCCCC[N@H+]1CC[C@H](CN)C1 ZINC000226419785 536872712 /nfs/dbraw/zinc/87/27/12/536872712.db2.gz VPKYTYWPRNLABG-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO C(C1CCC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335623931 566405759 /nfs/dbraw/zinc/40/57/59/566405759.db2.gz RFGZALGNWAYQMV-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO C(C1CCC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335623931 566405765 /nfs/dbraw/zinc/40/57/65/566405765.db2.gz RFGZALGNWAYQMV-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000854226598 588780598 /nfs/dbraw/zinc/78/05/98/588780598.db2.gz IQZUQMOZMNUEBW-QBHFIFKDSA-N 1 3 208.349 1.763 20 0 BDADHO CC[NH+](CC)C[C@@H](C)Nc1ccncc1CO ZINC000892033963 582767656 /nfs/dbraw/zinc/76/76/56/582767656.db2.gz YJNIPLAYVGNHMJ-LLVKDONJSA-N 1 3 237.347 1.138 20 0 BDADHO CC(C)CCNC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000848986685 582818262 /nfs/dbraw/zinc/81/82/62/582818262.db2.gz UKKZMEPTRMHVPM-GFCCVEGCSA-N 1 3 240.395 1.631 20 0 BDADHO CO[C@@H]1CCC[N@H+](CC2CCN(C)CC2)CC1 ZINC000893510963 583155173 /nfs/dbraw/zinc/15/51/73/583155173.db2.gz LCSNHZHLZHRLBH-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)CC1 ZINC000893510963 583155174 /nfs/dbraw/zinc/15/51/74/583155174.db2.gz LCSNHZHLZHRLBH-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO COCC1=CC[N@H+](CC2CCN(C)CC2)CC1 ZINC000893679834 583197765 /nfs/dbraw/zinc/19/77/65/583197765.db2.gz CECYGNYABZWYNG-UHFFFAOYSA-N 1 3 238.375 1.607 20 0 BDADHO COCC1=CC[N@@H+](CC2CCN(C)CC2)CC1 ZINC000893679834 583197769 /nfs/dbraw/zinc/19/77/69/583197769.db2.gz CECYGNYABZWYNG-UHFFFAOYSA-N 1 3 238.375 1.607 20 0 BDADHO C[N@H+](CCCCNc1ccncc1CO)C1CC1 ZINC000894143135 583317638 /nfs/dbraw/zinc/31/76/38/583317638.db2.gz SIDIEAZIQAVAHW-UHFFFAOYSA-N 1 3 249.358 1.282 20 0 BDADHO C[N@@H+](CCCCNc1ccncc1CO)C1CC1 ZINC000894143135 583317641 /nfs/dbraw/zinc/31/76/41/583317641.db2.gz SIDIEAZIQAVAHW-UHFFFAOYSA-N 1 3 249.358 1.282 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H](O)C(C)C)C1 ZINC000878166775 583364512 /nfs/dbraw/zinc/36/45/12/583364512.db2.gz FNJGCUFGWSWBPQ-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878166775 583364515 /nfs/dbraw/zinc/36/45/15/583364515.db2.gz FNJGCUFGWSWBPQ-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000857252774 588901585 /nfs/dbraw/zinc/90/15/85/588901585.db2.gz CMQBMENVEAAQPK-WDEREUQCSA-N 1 3 212.337 1.273 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CCCOC1)C2 ZINC000857226504 588895931 /nfs/dbraw/zinc/89/59/31/588895931.db2.gz QDDMBJULAAGOHI-XQQFMLRXSA-N 1 3 224.348 1.226 20 0 BDADHO C[NH+](C)Cc1cccc(CNCc2cnc[nH]2)c1 ZINC000894383290 583442683 /nfs/dbraw/zinc/44/26/83/583442683.db2.gz FIEZACMMGGEYRR-UHFFFAOYSA-N 1 3 244.342 1.761 20 0 BDADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984869 583564394 /nfs/dbraw/zinc/56/43/94/583564394.db2.gz MPDDKDDRUVQEGF-OLZOCXBDSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984869 583564396 /nfs/dbraw/zinc/56/43/96/583564396.db2.gz MPDDKDDRUVQEGF-OLZOCXBDSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984868 583564540 /nfs/dbraw/zinc/56/45/40/583564540.db2.gz MPDDKDDRUVQEGF-CHWSQXEVSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984868 583564541 /nfs/dbraw/zinc/56/45/41/583564541.db2.gz MPDDKDDRUVQEGF-CHWSQXEVSA-N 1 3 248.374 1.859 20 0 BDADHO CC[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000895146275 583604535 /nfs/dbraw/zinc/60/45/35/583604535.db2.gz DQBAFBZPNCTSJE-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@](C)(CNCC[C@H](C)[NH+](C)C)C1CC1 ZINC000895294373 583638382 /nfs/dbraw/zinc/63/83/82/583638382.db2.gz VIUFPBICDPYMDD-AAEUAGOBSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H](CC[NH2+]Cc1ccc(=O)[nH]c1)N(C)C ZINC000895292350 583638823 /nfs/dbraw/zinc/63/88/23/583638823.db2.gz PQWKUOKRMSVSBP-JTQLQIEISA-N 1 3 223.320 1.217 20 0 BDADHO C[C@@H](CC[NH2+]CCC[C@@H]1CCO1)N(C)C ZINC000895292653 583639124 /nfs/dbraw/zinc/63/91/24/583639124.db2.gz SYNONSFIIWPKAW-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO CC1=NO[C@@H](C[NH2+]C2CCN(C(C)C)CC2)C1 ZINC000895307959 583648118 /nfs/dbraw/zinc/64/81/18/583648118.db2.gz VIZVCDVRBPZUCQ-CYBMUJFWSA-N 1 3 239.363 1.614 20 0 BDADHO CCO[C@@H](CNc1cc[nH+]c(C)c1)CN(C)C ZINC000896117476 583772117 /nfs/dbraw/zinc/77/21/17/583772117.db2.gz VFRVWMOCHKUUKC-ZDUSSCGKSA-N 1 3 237.347 1.191 20 0 BDADHO CCO[C@H](CN[C@@H]1CC[C@@H]1SC)C[NH+](C)C ZINC000896880100 583845042 /nfs/dbraw/zinc/84/50/42/583845042.db2.gz NJMCCMNNCMNRJL-UTUOFQBUSA-N 1 3 246.420 1.437 20 0 BDADHO [NH3+]CC1CCN(CCSC(F)(F)F)CC1 ZINC000123492529 583850357 /nfs/dbraw/zinc/85/03/57/583850357.db2.gz PDIBSDDBTPCRJK-UHFFFAOYSA-N 1 3 242.310 1.910 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000863483217 583992340 /nfs/dbraw/zinc/99/23/40/583992340.db2.gz RRACLEQDUGDOLB-FRRDWIJNSA-N 1 3 238.375 1.676 20 0 BDADHO CC[NH+](CC)C[C@H](C)Nc1ccnc(CO)c1 ZINC000858364673 588948539 /nfs/dbraw/zinc/94/85/39/588948539.db2.gz GWOIDXYRGZTATR-NSHDSACASA-N 1 3 237.347 1.716 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNc2ccnc(CO)c2)C1 ZINC000858361120 588948842 /nfs/dbraw/zinc/94/88/42/588948842.db2.gz HTFOYYVFEHCCSI-LBPRGKRZSA-N 1 3 249.358 1.718 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNc2ccnc(CO)c2)C1 ZINC000858361120 588948844 /nfs/dbraw/zinc/94/88/44/588948844.db2.gz HTFOYYVFEHCCSI-LBPRGKRZSA-N 1 3 249.358 1.718 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@H](Nc2ccnc(CO)c2)C1 ZINC000858436735 588954862 /nfs/dbraw/zinc/95/48/62/588954862.db2.gz OPTIHRWNVYPXNI-FZMZJTMJSA-N 1 3 249.358 1.859 20 0 BDADHO C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)CN(C)C ZINC000899272369 584192100 /nfs/dbraw/zinc/19/21/00/584192100.db2.gz DSLVOSDWZNWBDC-UWVGGRQHSA-N 1 3 226.368 1.097 20 0 BDADHO C[C@H](NC(=[NH2+])NCCN1CC[C@@H](C)C1)C1CC1 ZINC000899267643 584192995 /nfs/dbraw/zinc/19/29/95/584192995.db2.gz RAKJFNDXXCNUQQ-MNOVXSKESA-N 1 3 238.379 1.241 20 0 BDADHO CN1CCC2(CC[N@@H+]2CC2(O)CCCC2)CC1 ZINC000899911060 584253104 /nfs/dbraw/zinc/25/31/04/584253104.db2.gz PFOVSYRSNYIUPX-UHFFFAOYSA-N 1 3 238.375 1.462 20 0 BDADHO CN1CCC2(CC[N@H+]2CC2(O)CCCC2)CC1 ZINC000899911060 584253107 /nfs/dbraw/zinc/25/31/07/584253107.db2.gz PFOVSYRSNYIUPX-UHFFFAOYSA-N 1 3 238.375 1.462 20 0 BDADHO CCn1cnc(CNCC2CC[NH+](C)CC2)c1 ZINC000902199799 584537325 /nfs/dbraw/zinc/53/73/25/584537325.db2.gz XTONIHJWHVAMIC-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO COCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902319983 584552449 /nfs/dbraw/zinc/55/24/49/584552449.db2.gz NYUTXHHGUAKGPB-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CCOCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347188 584559166 /nfs/dbraw/zinc/55/91/66/584559166.db2.gz GHLTXLWCLCTKNH-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CC(C)C[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349538 584559759 /nfs/dbraw/zinc/55/97/59/584559759.db2.gz XKKRDUBCXDSGMN-QWHCGFSZSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)C[C@@H](O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902349538 584559760 /nfs/dbraw/zinc/55/97/60/584559760.db2.gz XKKRDUBCXDSGMN-QWHCGFSZSA-N 1 3 242.407 1.761 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCc2ccncc2)C1 ZINC000902358548 584570592 /nfs/dbraw/zinc/57/05/92/584570592.db2.gz CJTLQNVWKAKMMA-CQSZACIVSA-N 1 3 247.386 1.992 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000902358548 584570594 /nfs/dbraw/zinc/57/05/94/584570594.db2.gz CJTLQNVWKAKMMA-CQSZACIVSA-N 1 3 247.386 1.992 20 0 BDADHO CC(C)[C@@H](CO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902360697 584571735 /nfs/dbraw/zinc/57/17/35/584571735.db2.gz MKEVMUNWSQBEOX-NWDGAFQWSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@@H](CO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360697 584571738 /nfs/dbraw/zinc/57/17/38/584571738.db2.gz MKEVMUNWSQBEOX-NWDGAFQWSA-N 1 3 228.380 1.371 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC2(O)CCC2)C1 ZINC000902362103 584572911 /nfs/dbraw/zinc/57/29/11/584572911.db2.gz VWPGNCQFJTYHBT-NSHDSACASA-N 1 3 226.364 1.269 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000902362103 584572912 /nfs/dbraw/zinc/57/29/12/584572912.db2.gz VWPGNCQFJTYHBT-NSHDSACASA-N 1 3 226.364 1.269 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000902392084 584583107 /nfs/dbraw/zinc/58/31/07/584583107.db2.gz JZJOFEXCRMQYRJ-LPWJVIDDSA-N 1 3 238.375 1.674 20 0 BDADHO CCC[C@@H](CCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902399038 584586201 /nfs/dbraw/zinc/58/62/01/584586201.db2.gz TZMPKYBQZFTRJX-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCON ZINC000902415783 584589986 /nfs/dbraw/zinc/58/99/86/584589986.db2.gz QZFDDIVQTZPLKH-NWDGAFQWSA-N 1 3 229.368 1.167 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429780 584594878 /nfs/dbraw/zinc/59/48/78/584594878.db2.gz GYXGQXSRNHWYSU-CYZMBNFOSA-N 1 3 240.391 1.765 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428339 584594965 /nfs/dbraw/zinc/59/49/65/584594965.db2.gz CEXPHKXXUFQPGP-FQUUOJAGSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)C1CNC1 ZINC000902433180 584595372 /nfs/dbraw/zinc/59/53/72/584595372.db2.gz YDTLYOOYVVKDHF-YPMHNXCESA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NCC[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902433180 584595373 /nfs/dbraw/zinc/59/53/73/584595373.db2.gz YDTLYOOYVVKDHF-YPMHNXCESA-N 1 3 240.391 1.779 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000902436124 584596534 /nfs/dbraw/zinc/59/65/34/584596534.db2.gz XIPDBVPWPICUJF-DDHJSBNISA-N 1 3 245.370 1.471 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902443709 584598129 /nfs/dbraw/zinc/59/81/29/584598129.db2.gz LXQALUOVAULHBK-IJLUTSLNSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CNCC2(C)C)C1 ZINC000902443720 584598173 /nfs/dbraw/zinc/59/81/73/584598173.db2.gz LXQALUOVAULHBK-TUAOUCFPSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902477899 584603407 /nfs/dbraw/zinc/60/34/07/584603407.db2.gz VGXSIXXNCPMDCR-YVECIDJPSA-N 1 3 208.349 1.904 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454770 584609165 /nfs/dbraw/zinc/60/91/65/584609165.db2.gz VHQKLNGNTADZDP-DIVMYUDWSA-N 1 3 236.359 1.140 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454770 584609167 /nfs/dbraw/zinc/60/91/67/584609167.db2.gz VHQKLNGNTADZDP-DIVMYUDWSA-N 1 3 236.359 1.140 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1CNC1 ZINC000902455842 584609415 /nfs/dbraw/zinc/60/94/15/584609415.db2.gz ZLPZRLIIEGCDER-GXSJLCMTSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCN1CCC(C)(C)C1 ZINC000902456655 584610176 /nfs/dbraw/zinc/61/01/76/584610176.db2.gz QADQPTLNIXCPQH-OLZOCXBDSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H](NC[C@@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461542 584611371 /nfs/dbraw/zinc/61/13/71/584611371.db2.gz ONERMZIBKQHWCE-PWSUYJOCSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C1CNC1 ZINC000902461542 584611372 /nfs/dbraw/zinc/61/13/72/584611372.db2.gz ONERMZIBKQHWCE-PWSUYJOCSA-N 1 3 226.364 1.532 20 0 BDADHO CC1(C)C[C@@H]([NH2+]CC[C@@H](O)C2CC2)C[C@@H](N)C1 ZINC000902506640 584622006 /nfs/dbraw/zinc/62/20/06/584622006.db2.gz ZCZYPDSYOGAYGE-FRRDWIJNSA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)C[C@@H](NCC[C@@H](O)C2CC2)C[C@@H]([NH3+])C1 ZINC000902506640 584622007 /nfs/dbraw/zinc/62/20/07/584622007.db2.gz ZCZYPDSYOGAYGE-FRRDWIJNSA-N 1 3 240.391 1.643 20 0 BDADHO Cc1ncccc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000902511463 584623514 /nfs/dbraw/zinc/62/35/14/584623514.db2.gz FBOQVZRVOSZRCJ-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000902511463 584623515 /nfs/dbraw/zinc/62/35/15/584623515.db2.gz FBOQVZRVOSZRCJ-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCCN1)[C@@H]1CCCO1 ZINC000902482466 584624351 /nfs/dbraw/zinc/62/43/51/584624351.db2.gz LPHAMVIOGVLLRU-AVGNSLFASA-N 1 3 226.364 1.676 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487653 584626536 /nfs/dbraw/zinc/62/65/36/584626536.db2.gz LJGGHLAHWAFDLJ-SZEHBUNVSA-N 1 3 208.309 1.106 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc2n(n1)CCC2 ZINC000902487687 584626913 /nfs/dbraw/zinc/62/69/13/584626913.db2.gz LWKCCFZXKVDCAE-DCAQKATOSA-N 1 3 234.347 1.217 20 0 BDADHO Cc1ncccc1CCN[C@H](C)C1C[NH2+]C1 ZINC000902514075 584629563 /nfs/dbraw/zinc/62/95/63/584629563.db2.gz PPWLENIONUFZRS-LLVKDONJSA-N 1 3 219.332 1.130 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H](C)C1CNC1 ZINC000902514075 584629564 /nfs/dbraw/zinc/62/95/64/584629564.db2.gz PPWLENIONUFZRS-LLVKDONJSA-N 1 3 219.332 1.130 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C\Cl ZINC000902517485 584629820 /nfs/dbraw/zinc/62/98/20/584629820.db2.gz IIBFQQXOLXYGMA-USDMVXPLSA-N 1 3 202.729 1.846 20 0 BDADHO CN1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224159 584738070 /nfs/dbraw/zinc/73/80/70/584738070.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 1 3 249.402 1.438 20 0 BDADHO CN1CC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224159 584738071 /nfs/dbraw/zinc/73/80/71/584738071.db2.gz QTWSGJPLOPDBCM-FBAPMCOASA-N 1 3 249.402 1.438 20 0 BDADHO COCCN(C[C@@H]1C[NH2+]C[C@H]1C)C1CCCC1 ZINC000903435899 584762280 /nfs/dbraw/zinc/76/22/80/584762280.db2.gz ZUDMEACLMWJSMT-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@]2(CC2(F)F)C1 ZINC000903460811 584766510 /nfs/dbraw/zinc/76/65/10/584766510.db2.gz IRUQOLJOGODTEB-VWYCJHECSA-N 1 3 230.302 1.573 20 0 BDADHO C[C@@H](CO)[C@@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464078 584767192 /nfs/dbraw/zinc/76/71/92/584767192.db2.gz YTUNUXHDOPTOQO-RFGFWPKPSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(c2c[nH]cn2)CC1 ZINC000903443416 584768452 /nfs/dbraw/zinc/76/84/52/584768452.db2.gz ATVKMSCMFCPEJL-YPMHNXCESA-N 1 3 248.374 1.445 20 0 BDADHO FC1(F)[C@@H]2C[C@@H](CN3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]21 ZINC000903449854 584771459 /nfs/dbraw/zinc/77/14/59/584771459.db2.gz IUMQGFIVRULTOC-YZCVJGAOSA-N 1 3 242.313 1.429 20 0 BDADHO COC[C@@H](C[NH2+][C@H]1CCNCC1(C)C)C(C)C ZINC000903455513 584774254 /nfs/dbraw/zinc/77/42/54/584774254.db2.gz XZALMHZTHDAJTJ-OLZOCXBDSA-N 1 3 242.407 1.883 20 0 BDADHO C(CN1CCCC[C@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903481688 584778206 /nfs/dbraw/zinc/77/82/06/584778206.db2.gz JVYCAFKAQUFAND-CQSZACIVSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903560056 584782272 /nfs/dbraw/zinc/78/22/72/584782272.db2.gz RWCGGMDKUCXKMK-AXFHLTTASA-N 1 3 212.337 1.081 20 0 BDADHO CC1CC(C[N@@H+]2CC[C@H](C)[C@@H](CN)C2)C1 ZINC000903761587 584797283 /nfs/dbraw/zinc/79/72/83/584797283.db2.gz WUKAGLPOAVZZBD-MVKMKZAISA-N 1 3 210.365 1.949 20 0 BDADHO CC1CC(C[N@H+]2CC[C@H](C)[C@@H](CN)C2)C1 ZINC000903761587 584797285 /nfs/dbraw/zinc/79/72/85/584797285.db2.gz WUKAGLPOAVZZBD-MVKMKZAISA-N 1 3 210.365 1.949 20 0 BDADHO C[C@@H](Cn1cccn1)NC[C@@H]1CCCC[NH2+]C1 ZINC000903760761 584797630 /nfs/dbraw/zinc/79/76/30/584797630.db2.gz YIGSEVSLXFJTHM-QWHCGFSZSA-N 1 3 236.363 1.251 20 0 BDADHO OCC1(NC[C@H]2CCCC[NH2+]C2)CCCC1 ZINC000903764520 584797648 /nfs/dbraw/zinc/79/76/48/584797648.db2.gz UBSKMXVZVIBYNE-LBPRGKRZSA-N 1 3 226.364 1.271 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccccc1CF ZINC000903769866 584798107 /nfs/dbraw/zinc/79/81/07/584798107.db2.gz QIAJHXMQYWMVBU-UHFFFAOYSA-N 1 3 240.322 1.563 20 0 BDADHO CCO[C@@H]1C[N@H+](CC2CC(C)C2)C[C@H]1CN ZINC000903768755 584798117 /nfs/dbraw/zinc/79/81/17/584798117.db2.gz QCDLNVHQUBQYEJ-FIYWTHMPSA-N 1 3 226.364 1.328 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1CN ZINC000903768755 584798118 /nfs/dbraw/zinc/79/81/18/584798118.db2.gz QCDLNVHQUBQYEJ-FIYWTHMPSA-N 1 3 226.364 1.328 20 0 BDADHO CCO[C@@H]1CN(CC2CC(C)C2)C[C@H]1C[NH3+] ZINC000903768755 584798119 /nfs/dbraw/zinc/79/81/19/584798119.db2.gz QCDLNVHQUBQYEJ-FIYWTHMPSA-N 1 3 226.364 1.328 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCCSC[C@@H]1C1CC1 ZINC000903825961 584804409 /nfs/dbraw/zinc/80/44/09/584804409.db2.gz GFRCQFQMPJOGHP-WCQYABFASA-N 1 3 240.416 1.813 20 0 BDADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C[C@@H](O)c1ccccc1)C2 ZINC000903838596 584806523 /nfs/dbraw/zinc/80/65/23/584806523.db2.gz DGKJPJQHVPUUET-PMOUVXMZSA-N 1 3 246.354 1.532 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCCO)C2 ZINC000903845258 584807704 /nfs/dbraw/zinc/80/77/04/584807704.db2.gz GETFORMYACUBIA-XQQFMLRXSA-N 1 3 226.364 1.351 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCCO)C2 ZINC000903845258 584807705 /nfs/dbraw/zinc/80/77/05/584807705.db2.gz GETFORMYACUBIA-XQQFMLRXSA-N 1 3 226.364 1.351 20 0 BDADHO CCOCCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903857986 584810397 /nfs/dbraw/zinc/81/03/97/584810397.db2.gz XDBTYOVOZABXMR-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO C[NH2+]CCCN1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870393 584814849 /nfs/dbraw/zinc/81/48/49/584814849.db2.gz FMFGDKHSTVNTLD-MNOVXSKESA-N 1 3 214.378 1.281 20 0 BDADHO CNCCC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870393 584814851 /nfs/dbraw/zinc/81/48/51/584814851.db2.gz FMFGDKHSTVNTLD-MNOVXSKESA-N 1 3 214.378 1.281 20 0 BDADHO CNCCC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870393 584814852 /nfs/dbraw/zinc/81/48/52/584814852.db2.gz FMFGDKHSTVNTLD-MNOVXSKESA-N 1 3 214.378 1.281 20 0 BDADHO CCN(CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903873566 584815806 /nfs/dbraw/zinc/81/58/06/584815806.db2.gz SMVFHYSVOHNEBU-UHFFFAOYSA-N 1 3 234.343 1.147 20 0 BDADHO C[C@@H](O)CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000903903778 584821306 /nfs/dbraw/zinc/82/13/06/584821306.db2.gz NBQZBFAWEIDFME-LLVKDONJSA-N 1 3 234.343 1.145 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]CCC(C)(C)N)CCO1 ZINC000903939183 584823115 /nfs/dbraw/zinc/82/31/15/584823115.db2.gz SXZKUJBQOHUALU-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO FC[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903929462 584824190 /nfs/dbraw/zinc/82/41/90/584824190.db2.gz GGGYHSDQHCAYDF-WVMKXHBISA-N 1 3 242.338 1.187 20 0 BDADHO CC(C)[C@H]1C[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966747 584834478 /nfs/dbraw/zinc/83/44/78/584834478.db2.gz AWTOWWIGJDEELS-ZOBORPQBSA-N 1 3 240.391 1.635 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCc2ccccc2C1 ZINC000903968680 584835096 /nfs/dbraw/zinc/83/50/96/584835096.db2.gz YIBBRZRDEYREIL-KCXAZCMYSA-N 1 3 244.382 1.989 20 0 BDADHO C[C@@]1(CN2CCC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904301554 584861407 /nfs/dbraw/zinc/86/14/07/584861407.db2.gz NRRORSCUCNEWEZ-QWHCGFSZSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@]1(C[N@@H+]2CCC[C@H](CO)C2)CCCNC1 ZINC000904301554 584861408 /nfs/dbraw/zinc/86/14/08/584861408.db2.gz NRRORSCUCNEWEZ-QWHCGFSZSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@]1(C[N@H+]2CCC[C@H](CO)C2)CCCNC1 ZINC000904301554 584861409 /nfs/dbraw/zinc/86/14/09/584861409.db2.gz NRRORSCUCNEWEZ-QWHCGFSZSA-N 1 3 226.364 1.080 20 0 BDADHO CCCCN(CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904302239 584862308 /nfs/dbraw/zinc/86/23/08/584862308.db2.gz UDANZNDWIJEPKR-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO CCCC[N@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904302239 584862309 /nfs/dbraw/zinc/86/23/09/584862309.db2.gz UDANZNDWIJEPKR-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO CCCC[N@@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904302239 584862311 /nfs/dbraw/zinc/86/23/11/584862311.db2.gz UDANZNDWIJEPKR-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO C[C@]1(CN2CCC(CCO)CC2)CCC[NH2+]C1 ZINC000904307274 584863058 /nfs/dbraw/zinc/86/30/58/584863058.db2.gz OBEINANEGUELLI-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@]1(C[NH+]2CCC(CCO)CC2)CCCNC1 ZINC000904307274 584863059 /nfs/dbraw/zinc/86/30/59/584863059.db2.gz OBEINANEGUELLI-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO COC(=O)[C@@H](C)N(C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904348775 584868960 /nfs/dbraw/zinc/86/89/60/584868960.db2.gz VEHYLPKVUMIIGO-MXWKQRLJSA-N 1 3 240.347 1.140 20 0 BDADHO C[C@H](O)C[N@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000904377060 584876301 /nfs/dbraw/zinc/87/63/01/584876301.db2.gz IRLUNJCKGGVWOV-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)C[N@@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000904377060 584876303 /nfs/dbraw/zinc/87/63/03/584876303.db2.gz IRLUNJCKGGVWOV-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@]1(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCCNC1 ZINC000904385910 584877659 /nfs/dbraw/zinc/87/76/59/584877659.db2.gz JLZBVDZZQZZLTG-RFQIPJPRSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@@]1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCCNC1 ZINC000904385910 584877660 /nfs/dbraw/zinc/87/76/60/584877660.db2.gz JLZBVDZZQZZLTG-RFQIPJPRSA-N 1 3 238.375 1.079 20 0 BDADHO [NH3+]CC[C@@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000904405593 584878418 /nfs/dbraw/zinc/87/84/18/584878418.db2.gz KCYPWRGABWZHMH-GFCCVEGCSA-N 1 3 244.342 1.505 20 0 BDADHO CCn1nccc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412342 584879542 /nfs/dbraw/zinc/87/95/42/584879542.db2.gz SXMCVYKXBHSPFP-VXGBXAGGSA-N 1 3 236.363 1.320 20 0 BDADHO C[C@@H]1CN(Cc2cncs2)CC[C@H]1C[NH3+] ZINC000904412571 584879704 /nfs/dbraw/zinc/87/97/04/584879704.db2.gz WMYBOELXWBZKAJ-ZJUUUORDSA-N 1 3 225.361 1.560 20 0 BDADHO C[C@H]1CN(Cc2cncs2)CC[C@H]1C[NH3+] ZINC000904412569 584879778 /nfs/dbraw/zinc/87/97/78/584879778.db2.gz WMYBOELXWBZKAJ-UWVGGRQHSA-N 1 3 225.361 1.560 20 0 BDADHO CCn1cc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411089 584879784 /nfs/dbraw/zinc/87/97/84/584879784.db2.gz JYDYSCQYVGDWFK-WCQYABFASA-N 1 3 236.363 1.320 20 0 BDADHO C[C@H](C[NH3+])N[C@@H](C)CSC(C)(C)C ZINC000817966090 584992815 /nfs/dbraw/zinc/99/28/15/584992815.db2.gz GFMHMOWJVUCQCX-BDAKNGLRSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1CC[C@@H](C2CC2)O1)C1CC1 ZINC000886829911 585180646 /nfs/dbraw/zinc/18/06/46/585180646.db2.gz JEJLXJPFUAWUQI-MELADBBJSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H]1CC(C)(C)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000839659412 585333873 /nfs/dbraw/zinc/33/38/73/585333873.db2.gz CTDRAHVYPKYSPK-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(N)n1 ZINC000758211828 585351804 /nfs/dbraw/zinc/35/18/04/585351804.db2.gz SXMSLZINGVEAPL-NSHDSACASA-N 1 3 249.362 1.288 20 0 BDADHO C[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1C ZINC000767586330 585522836 /nfs/dbraw/zinc/52/28/36/585522836.db2.gz GAHHHCYYVCZVJV-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1C ZINC000767586330 585522837 /nfs/dbraw/zinc/52/28/37/585522837.db2.gz GAHHHCYYVCZVJV-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO O[C@H](CNC1CC(C(F)F)C1)C[NH+]1CCCC1 ZINC000768686693 585541941 /nfs/dbraw/zinc/54/19/41/585541941.db2.gz IULYBWHFYXTIMV-VQXHTEKXSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)CCO)CN1CCCCC1 ZINC000779393288 585753204 /nfs/dbraw/zinc/75/32/04/585753204.db2.gz RDPZRCHTMZVALF-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H](CN[C@@H](C)CCO)C[NH+]1CCCCC1 ZINC000779393288 585753205 /nfs/dbraw/zinc/75/32/05/585753205.db2.gz RDPZRCHTMZVALF-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO c1ccc2c(c1)CC[C@H]2CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000780284996 585776901 /nfs/dbraw/zinc/77/69/01/585776901.db2.gz HBAFOMPKTKAWJC-SOUVJXGZSA-N 1 3 242.366 1.868 20 0 BDADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(C)o1 ZINC000787303609 585906432 /nfs/dbraw/zinc/90/64/32/585906432.db2.gz IIZHICWUTUAFET-OKILXGFUSA-N 1 3 234.343 1.890 20 0 BDADHO Cc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(C)o1 ZINC000787303609 585906433 /nfs/dbraw/zinc/90/64/33/585906433.db2.gz IIZHICWUTUAFET-OKILXGFUSA-N 1 3 234.343 1.890 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000788478853 585925458 /nfs/dbraw/zinc/92/54/58/585925458.db2.gz KCPJGVIFLSKGMC-GFCCVEGCSA-N 1 3 240.391 1.828 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CSCCS1 ZINC000817898555 586831425 /nfs/dbraw/zinc/83/14/25/586831425.db2.gz ISNKCBAHHVABKB-IVZWLZJFSA-N 1 3 232.418 1.304 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1N ZINC000817888939 586832384 /nfs/dbraw/zinc/83/23/84/586832384.db2.gz LZSNYQAYZSWOGH-BFHYXJOUSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@@H](NC[C@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891661 586832798 /nfs/dbraw/zinc/83/27/98/586832798.db2.gz NATXNODSAKICPJ-NEPJUHHUSA-N 1 3 246.354 1.435 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)C1CNC1 ZINC000817891661 586832799 /nfs/dbraw/zinc/83/27/99/586832799.db2.gz NATXNODSAKICPJ-NEPJUHHUSA-N 1 3 246.354 1.435 20 0 BDADHO Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000817891824 586833068 /nfs/dbraw/zinc/83/30/68/586833068.db2.gz HOUIESMCOILDPX-MELADBBJSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@H](NC[C@@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891662 586833436 /nfs/dbraw/zinc/83/34/36/586833436.db2.gz NATXNODSAKICPJ-NWDGAFQWSA-N 1 3 246.354 1.435 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)C1CNC1 ZINC000817891662 586833438 /nfs/dbraw/zinc/83/34/38/586833438.db2.gz NATXNODSAKICPJ-NWDGAFQWSA-N 1 3 246.354 1.435 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(Cl)nc1 ZINC000817902300 586836375 /nfs/dbraw/zinc/83/63/75/586836375.db2.gz MUMQQADOZOMEAO-ZJUUUORDSA-N 1 3 241.766 1.993 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000817902300 586836376 /nfs/dbraw/zinc/83/63/76/586836376.db2.gz MUMQQADOZOMEAO-ZJUUUORDSA-N 1 3 241.766 1.993 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000817905127 586836860 /nfs/dbraw/zinc/83/68/60/586836860.db2.gz BLBQBPHBYIMWIB-XQQFMLRXSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000817910075 586838039 /nfs/dbraw/zinc/83/80/39/586838039.db2.gz JGVHVFWYNXTZTL-MGPQQGTHSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@]1(O)CCc2ccccc21 ZINC000817916167 586839409 /nfs/dbraw/zinc/83/94/09/586839409.db2.gz AOHBZBWOKUJDIZ-YWPYICTPSA-N 1 3 248.370 1.536 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC=CO1 ZINC000817924717 586841471 /nfs/dbraw/zinc/84/14/71/586841471.db2.gz VGVGKNHYVAFIOT-UPJWGTAASA-N 1 3 224.348 1.929 20 0 BDADHO CCc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000817928929 586842259 /nfs/dbraw/zinc/84/22/59/586842259.db2.gz IJZXWWPKRMZZBP-RBSFLKMASA-N 1 3 248.370 1.752 20 0 BDADHO C(N[C@H]1CC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949628 586847174 /nfs/dbraw/zinc/84/71/74/586847174.db2.gz LCQKKHUJDAVYSL-AGIUHOORSA-N 1 3 208.349 1.907 20 0 BDADHO c1[nH]nc2c1[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976621 586860199 /nfs/dbraw/zinc/86/01/99/586860199.db2.gz PSLIIIXYFOOALX-AAEUAGOBSA-N 1 3 246.358 1.519 20 0 BDADHO C[C@@H](CNC[C@@H](O)C1CC1)C[NH+]1CCCC1 ZINC000818965992 586918506 /nfs/dbraw/zinc/91/85/06/586918506.db2.gz GIWJXVUAGPJATQ-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H](O)C1CC1)CN1CCCC1 ZINC000818965992 586918507 /nfs/dbraw/zinc/91/85/07/586918507.db2.gz GIWJXVUAGPJATQ-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CCCC[NH+]1CCC(NC[C@H](O)C2CC2)CC1 ZINC000819042475 586927020 /nfs/dbraw/zinc/92/70/20/586927020.db2.gz IRBJOICSRCWLMA-AWEZNQCLSA-N 1 3 240.391 1.611 20 0 BDADHO [NH3+][C@H](CC(=O)Nc1ccc2c(c1)CNC2)C1CC1 ZINC000834845938 587768418 /nfs/dbraw/zinc/76/84/18/587768418.db2.gz JUXAVYPYXXADRF-CYBMUJFWSA-N 1 3 245.326 1.356 20 0 BDADHO CC[C@@H]1C[C@@H](CNC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000841032319 587937213 /nfs/dbraw/zinc/93/72/13/587937213.db2.gz CKGNAYPITSMKOK-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1ncc(CN[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000841079736 587944754 /nfs/dbraw/zinc/94/47/54/587944754.db2.gz NBIRUKPGTVZPNW-LLVKDONJSA-N 1 3 237.372 1.683 20 0 BDADHO C[C@H]1CN(C(=O)CCCCCC[NH3+])[C@@H](C)CN1 ZINC000841849198 587977583 /nfs/dbraw/zinc/97/75/83/587977583.db2.gz BDYJILINOPUBTP-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000841848564 587977772 /nfs/dbraw/zinc/97/77/72/587977772.db2.gz MKJFKGWBKSKFQP-ZDUSSCGKSA-N 1 3 249.358 1.249 20 0 BDADHO c1cn2c(n1)[C@H](N[C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000843341088 588100913 /nfs/dbraw/zinc/10/09/13/588100913.db2.gz ZEIZKACYKIUGIK-FDYHWXHSSA-N 1 3 246.358 1.306 20 0 BDADHO [NH3+]CCCCCCN[C@H]1CCn2ccnc21 ZINC000843342944 588101511 /nfs/dbraw/zinc/10/15/11/588101511.db2.gz VPHJRESTVZNPPF-NSHDSACASA-N 1 3 222.336 1.437 20 0 BDADHO Cc1csc(CNCCC2(C[NH3+])CC2)n1 ZINC000844904029 588218987 /nfs/dbraw/zinc/21/89/87/588218987.db2.gz WSKDRBHKMACEHI-UHFFFAOYSA-N 1 3 225.361 1.670 20 0 BDADHO CN(CCOCC[NH3+])[C@H]1C[C@H]1c1ccccc1 ZINC000846221339 588261366 /nfs/dbraw/zinc/26/13/66/588261366.db2.gz BZTNIGZXNAUHPD-KBPBESRZSA-N 1 3 234.343 1.450 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOc2cccnc2)C1 ZINC000848718121 588407915 /nfs/dbraw/zinc/40/79/15/588407915.db2.gz YHRSMEYSTGSOCU-NWDGAFQWSA-N 1 3 235.331 1.320 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848719694 588408518 /nfs/dbraw/zinc/40/85/18/588408518.db2.gz CTQMLTMKKZCVFL-MHEUCROKSA-N 1 3 248.370 1.968 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848722718 588408652 /nfs/dbraw/zinc/40/86/52/588408652.db2.gz PUTRIVXEOOFGNB-ILXRZTDVSA-N 1 3 248.370 1.888 20 0 BDADHO CCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000848987007 588425741 /nfs/dbraw/zinc/42/57/41/588425741.db2.gz DOKVTPDBIKHSSY-NWDGAFQWSA-N 1 3 240.395 1.773 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@H](CC)N1CCCC1 ZINC000848986459 588425843 /nfs/dbraw/zinc/42/58/43/588425843.db2.gz URXOTZNPAJVYFK-NEPJUHHUSA-N 1 3 240.395 1.773 20 0 BDADHO CN(CCNC(=[NH2+])N1CCC1)C1CCCCC1 ZINC000848987955 588426004 /nfs/dbraw/zinc/42/60/04/588426004.db2.gz SCCYTDZHVPWQFR-UHFFFAOYSA-N 1 3 238.379 1.481 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCC1)N1CCCC[C@H]1C ZINC000848987080 588426385 /nfs/dbraw/zinc/42/63/85/588426385.db2.gz HTCXHDVIFJDGLJ-NEPJUHHUSA-N 1 3 238.379 1.479 20 0 BDADHO CCCNC(=[NH2+])NC[C@@H]1CCCN1CCC ZINC000849027678 588441384 /nfs/dbraw/zinc/44/13/84/588441384.db2.gz DFGNMXJAXOASJJ-NSHDSACASA-N 1 3 226.368 1.385 20 0 BDADHO CCCCNC(=[NH2+])NC[C@@H]1CCCN1CCC ZINC000849027864 588441450 /nfs/dbraw/zinc/44/14/50/588441450.db2.gz MFLWXFSNDIIFPF-LBPRGKRZSA-N 1 3 240.395 1.775 20 0 BDADHO FC(F)OCCN1CCC2(C1)CC[NH2+]CC2 ZINC000852747098 588698956 /nfs/dbraw/zinc/69/89/56/588698956.db2.gz XMFLVSFVUGCPSS-UHFFFAOYSA-N 1 3 234.290 1.301 20 0 BDADHO CN1CCN(CCCCCCC[NH3+])CCC1=O ZINC000852759098 588700701 /nfs/dbraw/zinc/70/07/01/588700701.db2.gz JQTZDOLWGXAIGX-UHFFFAOYSA-N 1 3 241.379 1.060 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000863482078 589292632 /nfs/dbraw/zinc/29/26/32/589292632.db2.gz RPVSJLPPUJFTSJ-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+]CCCOCCNCc1ccc(Cl)nc1 ZINC000863487308 589293654 /nfs/dbraw/zinc/29/36/54/589293654.db2.gz SCLJHWCSNYGOTD-UHFFFAOYSA-N 1 3 243.738 1.190 20 0 BDADHO CCOC(=O)C1=CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000863544029 589297034 /nfs/dbraw/zinc/29/70/34/589297034.db2.gz JCMXMJKOWSFISK-FOGDFJRCSA-N 1 3 240.347 1.354 20 0 BDADHO CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000863544029 589297036 /nfs/dbraw/zinc/29/70/36/589297036.db2.gz JCMXMJKOWSFISK-FOGDFJRCSA-N 1 3 240.347 1.354 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000864453368 589365545 /nfs/dbraw/zinc/36/55/45/589365545.db2.gz YYJHVJHDUGLCTE-LBPRGKRZSA-N 1 3 240.395 1.773 20 0 BDADHO CC[C@H]1CCN(C(=[NH2+])NCCNC(C)(C)C)C1 ZINC000864457710 589368109 /nfs/dbraw/zinc/36/81/09/589368109.db2.gz GQFMXCCLRJMYGW-NSHDSACASA-N 1 3 240.395 1.631 20 0 BDADHO C[NH+]1CCC(CNCc2cn(C3CC3)cn2)CC1 ZINC000865451150 589436721 /nfs/dbraw/zinc/43/67/21/589436721.db2.gz ZMSBPCFJAVAJRZ-UHFFFAOYSA-N 1 3 248.374 1.649 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866706209 589514284 /nfs/dbraw/zinc/51/42/84/589514284.db2.gz NGRBMERKKSLHGX-AAEUAGOBSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866706209 589514286 /nfs/dbraw/zinc/51/42/86/589514286.db2.gz NGRBMERKKSLHGX-AAEUAGOBSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872144442 589884425 /nfs/dbraw/zinc/88/44/25/589884425.db2.gz ZBOHKZGUIPWBBQ-RWMBFGLXSA-N 1 3 238.375 1.615 20 0 BDADHO CO[C@H](CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCC1 ZINC000872154205 589885254 /nfs/dbraw/zinc/88/52/54/589885254.db2.gz NKKSODFEHGIKQN-BFHYXJOUSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000873239059 590005620 /nfs/dbraw/zinc/00/56/20/590005620.db2.gz MZQOGNPKKOLENL-CHWFTXMASA-N 1 3 202.317 1.983 20 0 BDADHO CC[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873251343 590008384 /nfs/dbraw/zinc/00/83/84/590008384.db2.gz LFNOQPXQIJTXDV-OUAUKWLOSA-N 1 3 222.336 1.198 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000873253553 590009757 /nfs/dbraw/zinc/00/97/57/590009757.db2.gz ZBBFMLKVBNNHGB-UBHSHLNASA-N 1 3 240.391 1.909 20 0 BDADHO Cc1nc([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)cs1 ZINC000873255347 590011133 /nfs/dbraw/zinc/01/11/33/590011133.db2.gz GMVHUSKZPQVOFO-SZEHBUNVSA-N 1 3 225.361 1.839 20 0 BDADHO CC[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256005 590011225 /nfs/dbraw/zinc/01/12/25/590011225.db2.gz LFNOQPXQIJTXDV-GMTAPVOTSA-N 1 3 222.336 1.198 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1c2ccccc2CN1C ZINC000873263909 590015051 /nfs/dbraw/zinc/01/50/51/590015051.db2.gz AGQJRUZVYXUPQE-SLEUVZQESA-N 1 3 247.386 1.889 20 0 BDADHO C[C@@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269180 590015335 /nfs/dbraw/zinc/01/53/35/590015335.db2.gz DLFSHRFYDPTBNJ-DMDPSCGWSA-N 1 3 248.374 1.867 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000873281598 590018263 /nfs/dbraw/zinc/01/82/63/590018263.db2.gz MLOHZWJUMMRLLR-DGTMBMJNSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H](NC1CC(Nc2ccccc2)C1)C1C[NH2+]C1 ZINC000873295183 590024093 /nfs/dbraw/zinc/02/40/93/590024093.db2.gz BKZLSTLICRSSLJ-QGLTVNCISA-N 1 3 245.370 1.827 20 0 BDADHO C[C@H]([NH2+]C1CC(Nc2ccccc2)C1)C1CNC1 ZINC000873295183 590024096 /nfs/dbraw/zinc/02/40/96/590024096.db2.gz BKZLSTLICRSSLJ-QGLTVNCISA-N 1 3 245.370 1.827 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1Cc2ccccc2CN1 ZINC000873296934 590024861 /nfs/dbraw/zinc/02/48/61/590024861.db2.gz NWLWCBSKEFUXJV-ZNMIVQPWSA-N 1 3 245.370 1.170 20 0 BDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1C[C@H](O)C1 ZINC000873297306 590025264 /nfs/dbraw/zinc/02/52/64/590025264.db2.gz VYBJOPOJFOHHOG-NMFUWQPSSA-N 1 3 248.370 1.305 20 0 BDADHO C[C@H](C(=O)N(C)C[C@H](C)[NH3+])N1CCCCCC1 ZINC000877103535 590284317 /nfs/dbraw/zinc/28/43/17/590284317.db2.gz WYBSHRHMRBYFFH-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000877105842 590284790 /nfs/dbraw/zinc/28/47/90/590284790.db2.gz SLEZGYNUIXTJCW-CMPLNLGQSA-N 1 3 241.379 1.090 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(CC3(C)CC3)CC[C@H]21 ZINC000877738227 590404547 /nfs/dbraw/zinc/40/45/47/590404547.db2.gz ASHHRMGHGYPETP-NWDGAFQWSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CC[C@H]2CN(CC3(C)CC3)CC[C@H]21 ZINC000877738227 590404548 /nfs/dbraw/zinc/40/45/48/590404548.db2.gz ASHHRMGHGYPETP-NWDGAFQWSA-N 1 3 208.349 1.813 20 0 BDADHO CO[C@H]1C[C@@H](CN(C)CCC[NH+]2CCCC2)C1 ZINC000878550566 590590253 /nfs/dbraw/zinc/59/02/53/590590253.db2.gz YMZULNTUHJPFGK-OKILXGFUSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000879320214 590740235 /nfs/dbraw/zinc/74/02/35/590740235.db2.gz DPWBIFKQQQMUKW-BFHYXJOUSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(CC[C@H]2CCC[N@H+]2C)C1 ZINC000879320214 590740237 /nfs/dbraw/zinc/74/02/37/590740237.db2.gz DPWBIFKQQQMUKW-BFHYXJOUSA-N 1 3 240.391 1.970 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578009 590815181 /nfs/dbraw/zinc/81/51/81/590815181.db2.gz AEAJIKGZVMSZOL-QWHCGFSZSA-N 1 3 238.375 1.318 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578009 590815185 /nfs/dbraw/zinc/81/51/85/590815185.db2.gz AEAJIKGZVMSZOL-QWHCGFSZSA-N 1 3 238.375 1.318 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1)OC ZINC000879581295 590822596 /nfs/dbraw/zinc/82/25/96/590822596.db2.gz XULYMWANUNYLQU-UPJWGTAASA-N 1 3 226.364 1.437 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@H]2[C@H](CCN2C)C1)OC ZINC000879581295 590822598 /nfs/dbraw/zinc/82/25/98/590822598.db2.gz XULYMWANUNYLQU-UPJWGTAASA-N 1 3 226.364 1.437 20 0 BDADHO Cc1nccn1CCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880138094 590939434 /nfs/dbraw/zinc/93/94/34/590939434.db2.gz PTXCHBSUXSKZPB-UONOGXRCSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880138094 590939435 /nfs/dbraw/zinc/93/94/35/590939435.db2.gz PTXCHBSUXSKZPB-UONOGXRCSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880138095 590940401 /nfs/dbraw/zinc/94/04/01/590940401.db2.gz PTXCHBSUXSKZPB-ZIAGYGMSSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880138095 590940404 /nfs/dbraw/zinc/94/04/04/590940404.db2.gz PTXCHBSUXSKZPB-ZIAGYGMSSA-N 1 3 248.374 1.360 20 0 BDADHO COC[C@H](C)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259712 590980267 /nfs/dbraw/zinc/98/02/67/590980267.db2.gz ZNZWPALFQOLHSA-STQMWFEESA-N 1 3 249.358 1.627 20 0 BDADHO CC[S@@](=O)CC[NH2+][C@H](C)C1CCN(C)CC1 ZINC000133516262 591810478 /nfs/dbraw/zinc/81/04/78/591810478.db2.gz ORKNYLYHYDNCLK-BZNIZROVSA-N 1 3 246.420 1.075 20 0 BDADHO CN(C)CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000134519301 591932780 /nfs/dbraw/zinc/93/27/80/591932780.db2.gz VZVVDRVDMLOKCX-UHFFFAOYSA-N 1 3 232.331 1.604 20 0 BDADHO CC(C)SCCN[C@@H]1CCC[NH2+]CC1 ZINC000215465363 591947353 /nfs/dbraw/zinc/94/73/53/591947353.db2.gz IFHUZSMUTUYIBA-LLVKDONJSA-N 1 3 216.394 1.860 20 0 BDADHO CN1CC[C@]2(CC[N@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215880 592178066 /nfs/dbraw/zinc/17/80/66/592178066.db2.gz SLNMWNNUTQRBOH-NEPJUHHUSA-N 1 3 248.317 1.030 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](C[C@@](C)(O)C(F)F)C2)C1 ZINC000886215880 592178068 /nfs/dbraw/zinc/17/80/68/592178068.db2.gz SLNMWNNUTQRBOH-NEPJUHHUSA-N 1 3 248.317 1.030 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000886613723 592275715 /nfs/dbraw/zinc/27/57/15/592275715.db2.gz CPOJKDPJDOGNRE-TUAOUCFPSA-N 1 3 242.363 1.115 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](NC[C@H](C)C[NH+](C)C)C1 ZINC000886613723 592275717 /nfs/dbraw/zinc/27/57/17/592275717.db2.gz CPOJKDPJDOGNRE-TUAOUCFPSA-N 1 3 242.363 1.115 20 0 BDADHO C([NH2+][C@H]1CCCSC1)[C@H]1CCCNC1 ZINC000220680280 592319683 /nfs/dbraw/zinc/31/96/83/592319683.db2.gz HJSJUFFZCCTVDK-QWRGUYRKSA-N 1 3 214.378 1.471 20 0 BDADHO C(N[C@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000220680280 592319687 /nfs/dbraw/zinc/31/96/87/592319687.db2.gz HJSJUFFZCCTVDK-QWRGUYRKSA-N 1 3 214.378 1.471 20 0 BDADHO C([NH2+][C@@H]1CCCSC1)[C@@H]1CCCNC1 ZINC000220680096 592320719 /nfs/dbraw/zinc/32/07/19/592320719.db2.gz HJSJUFFZCCTVDK-GHMZBOCLSA-N 1 3 214.378 1.471 20 0 BDADHO C(N[C@@H]1CCCSC1)[C@@H]1CCC[NH2+]C1 ZINC000220680096 592320723 /nfs/dbraw/zinc/32/07/23/592320723.db2.gz HJSJUFFZCCTVDK-GHMZBOCLSA-N 1 3 214.378 1.471 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CC[C@H](C2CC2)O1 ZINC000886840169 592360035 /nfs/dbraw/zinc/36/00/35/592360035.db2.gz VGVNGOIMCROIQM-AAVRWANBSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@@H]1CN ZINC000886840346 592361222 /nfs/dbraw/zinc/36/12/22/592361222.db2.gz ZMGWDPQWFMAMKV-ZOBORPQBSA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@@H]1CN ZINC000886840346 592361223 /nfs/dbraw/zinc/36/12/23/592361223.db2.gz ZMGWDPQWFMAMKV-ZOBORPQBSA-N 1 3 238.375 1.330 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1C[C@]13CCOC3)C2 ZINC000886841268 592361668 /nfs/dbraw/zinc/36/16/68/592361668.db2.gz GTQZJBRKFVJXON-MQYQWHSLSA-N 1 3 236.359 1.226 20 0 BDADHO [NH3+]CCCN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886857882 592370246 /nfs/dbraw/zinc/37/02/46/592370246.db2.gz DQASVHJZTGRWOU-UWVGGRQHSA-N 1 3 236.281 2.000 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000300233233 592504665 /nfs/dbraw/zinc/50/46/65/592504665.db2.gz PNUNUEWIVLRKDC-SRVKXCTJSA-N 1 3 214.353 1.110 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000300231412 592505114 /nfs/dbraw/zinc/50/51/14/592505114.db2.gz HEOKLUSAHMNYPZ-RWMBFGLXSA-N 1 3 228.380 1.501 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCCCO ZINC000300339378 592507665 /nfs/dbraw/zinc/50/76/65/592507665.db2.gz HJZAQTYHJLTYEH-QWHCGFSZSA-N 1 3 228.380 1.646 20 0 BDADHO C[N@H+](CCSC(F)(F)F)C1CCNCC1 ZINC000123609941 592714524 /nfs/dbraw/zinc/71/45/24/592714524.db2.gz BGBYKGUNLMXOLQ-UHFFFAOYSA-N 1 3 242.310 1.923 20 0 BDADHO C[N@@H+](CCSC(F)(F)F)C1CCNCC1 ZINC000123609941 592714526 /nfs/dbraw/zinc/71/45/26/592714526.db2.gz BGBYKGUNLMXOLQ-UHFFFAOYSA-N 1 3 242.310 1.923 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246531359 987887212 /nfs/dbraw/zinc/88/72/12/987887212.db2.gz PWMOYYZMTSBCRJ-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705276 634388916 /nfs/dbraw/zinc/38/89/16/634388916.db2.gz AYOMFNWNVGDVMH-ZIQFBCGOSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705276 634388922 /nfs/dbraw/zinc/38/89/22/634388922.db2.gz AYOMFNWNVGDVMH-ZIQFBCGOSA-N 1 3 222.332 1.166 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1COCC1(C)C)CN(C)C ZINC000312991155 634424491 /nfs/dbraw/zinc/42/44/91/634424491.db2.gz CRDTTXWVFQHORN-WDEREUQCSA-N 1 3 214.353 1.199 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC000925826284 635434690 /nfs/dbraw/zinc/43/46/90/635434690.db2.gz GTXMBKQEKMAWJK-OLUVUFQESA-N 1 3 249.358 1.534 20 0 BDADHO Cc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(N)n1 ZINC000107832619 635491181 /nfs/dbraw/zinc/49/11/81/635491181.db2.gz KDMIQKVXDCFEMM-JTQLQIEISA-N 1 3 249.362 1.511 20 0 BDADHO CSC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000235116003 631981696 /nfs/dbraw/zinc/98/16/96/631981696.db2.gz ZILWMZWCUSNJNF-MNOVXSKESA-N 1 3 228.405 1.989 20 0 BDADHO C[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000229084073 632519388 /nfs/dbraw/zinc/51/93/88/632519388.db2.gz OQJWCQZFKBXCLG-VHDGCEQUSA-N 1 3 248.370 1.637 20 0 BDADHO C[C@H]1C[C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666644 632794105 /nfs/dbraw/zinc/79/41/05/632794105.db2.gz SWFLNFXPVPELKO-YFKTTZPYSA-N 1 3 249.362 1.214 20 0 BDADHO Cc1cc(N[C@H](C)CC[NH+](C)C)nc(N)n1 ZINC000065945385 632805321 /nfs/dbraw/zinc/80/53/21/632805321.db2.gz VTZIDYRIWCWUSO-MRVPVSSYSA-N 1 3 223.324 1.119 20 0 BDADHO C[C@H](CNC(=[NH2+])NC1CCCC1)N1CCCC1 ZINC000066245323 632861990 /nfs/dbraw/zinc/86/19/90/632861990.db2.gz DFDZIFYMLQXEBJ-LLVKDONJSA-N 1 3 238.379 1.527 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCCCCO ZINC000236216621 632899530 /nfs/dbraw/zinc/89/95/30/632899530.db2.gz PQKWESGDHDSOGZ-NWDGAFQWSA-N 1 3 214.353 1.256 20 0 BDADHO C[C@H](C[NH2+][C@H](C)C[C@@H]1CCOC1)CN(C)C ZINC000309746010 633235366 /nfs/dbraw/zinc/23/53/66/633235366.db2.gz JDOGKEOYIYTMEH-UPJWGTAASA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925504247 633833762 /nfs/dbraw/zinc/83/37/62/633833762.db2.gz LIRDHMCZFQJGNK-AGIUHOORSA-N 1 3 226.364 1.391 20 0 BDADHO CC[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982832 634024471 /nfs/dbraw/zinc/02/44/71/634024471.db2.gz ADCSSJBCUMGZCA-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](CCO)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925610118 634146836 /nfs/dbraw/zinc/14/68/36/634146836.db2.gz CMSDJNUBCWJVRW-WHOHXGKFSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@@H](CCO)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610118 634146839 /nfs/dbraw/zinc/14/68/39/634146839.db2.gz CMSDJNUBCWJVRW-WHOHXGKFSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](O)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925610646 634147936 /nfs/dbraw/zinc/14/79/36/634147936.db2.gz IPBKKDKOVLQIOX-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](O)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925610646 634147943 /nfs/dbraw/zinc/14/79/43/634147943.db2.gz IPBKKDKOVLQIOX-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CCO)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925611574 634150043 /nfs/dbraw/zinc/15/00/43/634150043.db2.gz MZEUQAYLEZGANK-BNOWGMLFSA-N 1 3 240.391 1.515 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2C[C@H](N)C23CCC3)cn1 ZINC000925683698 634287827 /nfs/dbraw/zinc/28/78/27/634287827.db2.gz AHLWDJAXMQPZIM-QWHCGFSZSA-N 1 3 246.358 1.187 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925694636 634335276 /nfs/dbraw/zinc/33/52/76/634335276.db2.gz VPEGXWCPKQYKIJ-RFQIPJPRSA-N 1 3 238.375 1.268 20 0 BDADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925694636 634335283 /nfs/dbraw/zinc/33/52/83/634335283.db2.gz VPEGXWCPKQYKIJ-RFQIPJPRSA-N 1 3 238.375 1.268 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925694640 634335897 /nfs/dbraw/zinc/33/58/97/634335897.db2.gz VPEGXWCPKQYKIJ-XJFOESAGSA-N 1 3 238.375 1.268 20 0 BDADHO O[C@H]1C[C@@H]([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925694640 634335900 /nfs/dbraw/zinc/33/59/00/634335900.db2.gz VPEGXWCPKQYKIJ-XJFOESAGSA-N 1 3 238.375 1.268 20 0 BDADHO Cn1cncc1CCCN1CCC[C@H](C[NH3+])C1 ZINC000314834883 635237885 /nfs/dbraw/zinc/23/78/85/635237885.db2.gz GFQQFWATTOECCY-GFCCVEGCSA-N 1 3 236.363 1.023 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCS1 ZINC000925258485 636544380 /nfs/dbraw/zinc/54/43/80/636544380.db2.gz PAEKVTZRPKBZHM-FXJUQPSGSA-N 1 3 240.416 1.812 20 0 BDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CCCCO1 ZINC000054602362 637036231 /nfs/dbraw/zinc/03/62/31/637036231.db2.gz DPKIPJBIFBQZDN-WTUNAVPPSA-N 1 3 238.375 1.900 20 0 BDADHO Cc1cn(C)nc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000903789633 637384303 /nfs/dbraw/zinc/38/43/03/637384303.db2.gz YPZGYMZHAKKUSN-PWSUYJOCSA-N 1 3 236.363 1.145 20 0 BDADHO C[C@H]1C[C@@H](C[NH2+]Cc2cncc([O-])c2)CC[NH2+]1 ZINC000904433318 637399646 /nfs/dbraw/zinc/39/96/46/637399646.db2.gz LFCORPMGYCAMFA-QWRGUYRKSA-N 1 3 235.331 1.265 20 0 BDADHO Cc1ccc(CCCNC2CC([NH3+])C2)cn1 ZINC000906510458 638184272 /nfs/dbraw/zinc/18/42/72/638184272.db2.gz IXCNHONANQNFQV-UHFFFAOYSA-N 1 3 219.332 1.402 20 0 BDADHO Cc1ccc(CCC[NH2+]C2CC(N)C2)cn1 ZINC000906510458 638184277 /nfs/dbraw/zinc/18/42/77/638184277.db2.gz IXCNHONANQNFQV-UHFFFAOYSA-N 1 3 219.332 1.402 20 0 BDADHO C[C@H](C[NH2+][C@H]1C[C@H](N)C1)Cc1ccccc1 ZINC000906517730 638187628 /nfs/dbraw/zinc/18/76/28/638187628.db2.gz OBXUYIBPPCCRHG-UBHSHLNASA-N 1 3 218.344 1.945 20 0 BDADHO C[C@H](CN[C@H]1C[C@H]([NH3+])C1)Cc1ccccc1 ZINC000906517730 638187658 /nfs/dbraw/zinc/18/76/58/638187658.db2.gz OBXUYIBPPCCRHG-UBHSHLNASA-N 1 3 218.344 1.945 20 0 BDADHO CCN(CCC[NH3+])CCc1ccccn1 ZINC000037662351 711467236 /nfs/dbraw/zinc/46/72/36/711467236.db2.gz CTEPZPRRQBNHSM-UHFFFAOYSA-N 1 3 207.321 1.295 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867867 639853240 /nfs/dbraw/zinc/85/32/40/639853240.db2.gz NVCMDZGZFDHHMS-GHMZBOCLSA-N 1 3 243.395 1.193 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)C[C@@H](C)CC ZINC000911881401 639866887 /nfs/dbraw/zinc/86/68/87/639866887.db2.gz QXQKOOSLAAHFTP-QJPTWQEYSA-N 1 3 243.395 1.384 20 0 BDADHO C[C@H](C1CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931066263 640052420 /nfs/dbraw/zinc/05/24/20/640052420.db2.gz HRZIVFZWHHXMNQ-BXUZGUMPSA-N 1 3 238.375 1.316 20 0 BDADHO C[C@H](C1CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931066263 640052427 /nfs/dbraw/zinc/05/24/27/640052427.db2.gz HRZIVFZWHHXMNQ-BXUZGUMPSA-N 1 3 238.375 1.316 20 0 BDADHO CO[C@H]1C[C@@H](C[NH+]2CCC(C)(N(C)C)CC2)C1 ZINC000931355728 640167872 /nfs/dbraw/zinc/16/78/72/640167872.db2.gz VLPROBNHSYYMHI-BETUJISGSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H]1CC[N@H+](CC[C@@H]2CCCN2C)CCO1 ZINC000932346145 640489088 /nfs/dbraw/zinc/48/90/88/640489088.db2.gz FUKJKCGCHIXKHW-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H]1CC[N@@H+](CC[C@@H]2CCCN2C)CCO1 ZINC000932346145 640489094 /nfs/dbraw/zinc/48/90/94/640489094.db2.gz FUKJKCGCHIXKHW-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000087646992 640956310 /nfs/dbraw/zinc/95/63/10/640956310.db2.gz AWCQCFXGSALNAL-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCSC1)CN1CCCC1 ZINC000062077974 641018276 /nfs/dbraw/zinc/01/82/76/641018276.db2.gz NQXHLOLIGDCGFR-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO CO[C@H]1CC[C@H]1[N@H+](C)CCCN1CCCCC1 ZINC000934119608 641084141 /nfs/dbraw/zinc/08/41/41/641084141.db2.gz XSUPHLNALRFLKJ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@H]1CC[C@H]1[N@@H+](C)CCCN1CCCCC1 ZINC000934119608 641084145 /nfs/dbraw/zinc/08/41/45/641084145.db2.gz XSUPHLNALRFLKJ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@]1(CNC[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862863 641101634 /nfs/dbraw/zinc/10/16/34/641101634.db2.gz LTTXGWPKMBSDAC-OLZOCXBDSA-N 1 3 226.364 1.535 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231940090 641216050 /nfs/dbraw/zinc/21/60/50/641216050.db2.gz VUXLGQRQFKHDCF-JGVFFNPUSA-N 1 3 242.310 1.956 20 0 BDADHO C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000232450129 641273109 /nfs/dbraw/zinc/27/31/09/641273109.db2.gz PFCIOJIGUTVZLG-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000156741381 641610485 /nfs/dbraw/zinc/61/04/85/641610485.db2.gz CVKCXMJDZZCYSN-RYUDHWBXSA-N 1 3 226.364 1.256 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CCC2)C1(C)C ZINC000233769669 642693502 /nfs/dbraw/zinc/69/35/02/642693502.db2.gz HEWGKXKIYRYGRK-MNOVXSKESA-N 1 3 226.364 1.661 20 0 BDADHO COCC1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000070084587 642970014 /nfs/dbraw/zinc/97/00/14/642970014.db2.gz BROQQOBMHRIOAG-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(N)n1 ZINC000082261475 643286389 /nfs/dbraw/zinc/28/63/89/643286389.db2.gz VTZIDYRIWCWUSO-QMMMGPOBSA-N 1 3 223.324 1.119 20 0 BDADHO Cc1nc(C)c([C@@H](C)[NH2+]CC2(N)CC2)s1 ZINC000083837117 643544232 /nfs/dbraw/zinc/54/42/32/643544232.db2.gz ZBIOYVSRBFTWNX-SSDOTTSWSA-N 1 3 225.361 1.902 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[NH3+])C12CCCCC2 ZINC000083532412 643584195 /nfs/dbraw/zinc/58/41/95/643584195.db2.gz LGBVAXGNERNNQC-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO Cc1nc(CNCC[C@H]2CC[NH2+]C2)cs1 ZINC000084385326 643660176 /nfs/dbraw/zinc/66/01/76/643660176.db2.gz MVLBWGRPYOCIJN-SNVBAGLBSA-N 1 3 225.361 1.541 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269472 643673010 /nfs/dbraw/zinc/67/30/10/643673010.db2.gz NPFLSUMEJCTTDD-KBPBESRZSA-N 1 3 238.375 1.999 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269472 643673013 /nfs/dbraw/zinc/67/30/13/643673013.db2.gz NPFLSUMEJCTTDD-KBPBESRZSA-N 1 3 238.375 1.999 20 0 BDADHO CN(Cc1ccno1)C1CCC([NH3+])CC1 ZINC000085870102 643824594 /nfs/dbraw/zinc/82/45/94/643824594.db2.gz ADJUXUQPALCLEY-UHFFFAOYSA-N 1 3 209.293 1.376 20 0 BDADHO C[C@H](CC[NH2+]Cc1cc[nH]c(=O)c1)N(C)C ZINC000922255920 643926190 /nfs/dbraw/zinc/92/61/90/643926190.db2.gz YUWRBBMPBWPHFF-SNVBAGLBSA-N 1 3 223.320 1.217 20 0 BDADHO C[C@H]1[C@H](NCc2cnccc2N(C)C)CC[N@@H+]1C ZINC000922558811 644020687 /nfs/dbraw/zinc/02/06/87/644020687.db2.gz XDPZFYPIUFONNT-WCQYABFASA-N 1 3 248.374 1.330 20 0 BDADHO C[C@H]1[C@H](NCc2cnccc2N(C)C)CC[N@H+]1C ZINC000922558811 644020692 /nfs/dbraw/zinc/02/06/92/644020692.db2.gz XDPZFYPIUFONNT-WCQYABFASA-N 1 3 248.374 1.330 20 0 BDADHO CC[C@H](NC(CN)C[NH3+])c1ccc(F)cc1F ZINC000923352308 644369706 /nfs/dbraw/zinc/36/97/06/644369706.db2.gz ULFIVVOZTBSVQB-LBPRGKRZSA-N 1 3 243.301 1.292 20 0 BDADHO CCCCOC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368591 644382189 /nfs/dbraw/zinc/38/21/89/644382189.db2.gz RVUNRQYTPXRPDI-NWDGAFQWSA-N 1 3 246.395 1.127 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H](O)CC1CCCC1 ZINC000923370719 644383308 /nfs/dbraw/zinc/38/33/08/644383308.db2.gz QJWFYNSOLVJKJP-STQMWFEESA-N 1 3 242.407 1.891 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000923426031 644418610 /nfs/dbraw/zinc/41/86/10/644418610.db2.gz BKZVXUPJCLADLO-OCCSQVGLSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000923426031 644418613 /nfs/dbraw/zinc/41/86/13/644418613.db2.gz BKZVXUPJCLADLO-OCCSQVGLSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000923426031 644418617 /nfs/dbraw/zinc/41/86/17/644418617.db2.gz BKZVXUPJCLADLO-OCCSQVGLSA-N 1 3 238.375 1.629 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923423192 644419624 /nfs/dbraw/zinc/41/96/24/644419624.db2.gz VTXAQCNHGRFQSK-XLPZGREQSA-N 1 3 240.269 1.015 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)CC(F)(F)F ZINC000923423192 644419626 /nfs/dbraw/zinc/41/96/26/644419626.db2.gz VTXAQCNHGRFQSK-XLPZGREQSA-N 1 3 240.269 1.015 20 0 BDADHO CCCCCC[NH+]1CCNCCNCC1 ZINC000923465262 644443582 /nfs/dbraw/zinc/44/35/82/644443582.db2.gz AOJIFLZHUUQIJF-UHFFFAOYSA-N 1 3 213.369 1.062 20 0 BDADHO CCc1nc([C@@H](C)N2CC[C@@H](CC[NH3+])C2)n[nH]1 ZINC000923482190 644459086 /nfs/dbraw/zinc/45/90/86/644459086.db2.gz XPRJIAOCXGEUHO-NXEZZACHSA-N 1 3 237.351 1.099 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923533746 644489663 /nfs/dbraw/zinc/48/96/63/644489663.db2.gz NWMGTQDHQBMPDY-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923533746 644489667 /nfs/dbraw/zinc/48/96/67/644489667.db2.gz NWMGTQDHQBMPDY-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO Cc1csc(C[C@@H]2CCN(CCC[NH3+])C2)n1 ZINC000923552682 644494189 /nfs/dbraw/zinc/49/41/89/644494189.db2.gz XZXRUIIQHRRSNN-NSHDSACASA-N 1 3 239.388 1.665 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000089150227 644535211 /nfs/dbraw/zinc/53/52/11/644535211.db2.gz QUOUDLOVKUPYAM-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000089150227 644535216 /nfs/dbraw/zinc/53/52/16/644535216.db2.gz QUOUDLOVKUPYAM-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000250870232 644784348 /nfs/dbraw/zinc/78/43/48/644784348.db2.gz SIKLNFQMZFYTHT-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000251324884 644803218 /nfs/dbraw/zinc/80/32/18/644803218.db2.gz OODNOXPNNFINRG-FRRDWIJNSA-N 1 3 226.364 1.520 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1N ZINC000251523934 644808001 /nfs/dbraw/zinc/80/80/01/644808001.db2.gz ABSJXLIEXNCAMA-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1N ZINC000251523934 644808007 /nfs/dbraw/zinc/80/80/07/644808007.db2.gz ABSJXLIEXNCAMA-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000253112772 644938571 /nfs/dbraw/zinc/93/85/71/644938571.db2.gz YLOIYLKVEODUIB-FIQHERPVSA-N 1 3 226.364 1.253 20 0 BDADHO CCCCOC(=O)CC[NH2+]CC1(N)CCC1 ZINC000843367631 645286273 /nfs/dbraw/zinc/28/62/73/645286273.db2.gz GPYYLFZFFJDOFT-UHFFFAOYSA-N 1 3 228.336 1.191 20 0 BDADHO CC(C)CCN1CCC([NH2+]C/C=C\CO)CC1 ZINC000926688715 645356860 /nfs/dbraw/zinc/35/68/60/645356860.db2.gz KOQCWSQPZRYYHC-ARJAWSKDSA-N 1 3 240.391 1.635 20 0 BDADHO C1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CN1 ZINC000723628329 711527521 /nfs/dbraw/zinc/52/75/21/711527521.db2.gz IKDLSDAPGWVDFN-XQHKEYJVSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000925487022 646296516 /nfs/dbraw/zinc/29/65/16/646296516.db2.gz ARLOHWDIXCQNMZ-AAEUAGOBSA-N 1 3 235.331 1.191 20 0 BDADHO C[C@@H]([NH3+])[C@H](NCCN1CCCC1)c1ccccc1 ZINC000925509862 646308352 /nfs/dbraw/zinc/30/83/52/646308352.db2.gz RJELIEFRWMHDAZ-HIFRSBDPSA-N 1 3 247.386 1.760 20 0 BDADHO CC[C@@H](CO)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000929790532 646320603 /nfs/dbraw/zinc/32/06/03/646320603.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](CO)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000929790532 646320607 /nfs/dbraw/zinc/32/06/07/646320607.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](CO)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000929790532 646320611 /nfs/dbraw/zinc/32/06/11/646320611.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](CO)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000929790532 646320615 /nfs/dbraw/zinc/32/06/15/646320615.db2.gz KIUZDOPGOCBZRU-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC1(C)[C@H](N[C@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571182 646340140 /nfs/dbraw/zinc/34/01/40/646340140.db2.gz AWQLEAYDWYQBCS-WHOHXGKFSA-N 1 3 240.416 1.858 20 0 BDADHO CC1(C)[C@H]([NH2+][C@H]2CCSC2)[C@@H]2CCCN[C@@H]21 ZINC000925571182 646340147 /nfs/dbraw/zinc/34/01/47/646340147.db2.gz AWQLEAYDWYQBCS-WHOHXGKFSA-N 1 3 240.416 1.858 20 0 BDADHO CC1(C)[C@@H](N[C@@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571185 646340260 /nfs/dbraw/zinc/34/02/60/646340260.db2.gz AWQLEAYDWYQBCS-WYUUTHIRSA-N 1 3 240.416 1.858 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000925571185 646340261 /nfs/dbraw/zinc/34/02/61/646340261.db2.gz AWQLEAYDWYQBCS-WYUUTHIRSA-N 1 3 240.416 1.858 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000929842874 646353972 /nfs/dbraw/zinc/35/39/72/646353972.db2.gz DYPYUUZPRMEATO-OCCSQVGLSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CCOC3CC3)CC[C@@H]21 ZINC000929842874 646353977 /nfs/dbraw/zinc/35/39/77/646353977.db2.gz DYPYUUZPRMEATO-OCCSQVGLSA-N 1 3 238.375 1.582 20 0 BDADHO CC1(C)[C@H]([NH2+]CC2(O)CCC2)[C@@H]2CCCN[C@@H]21 ZINC000925608595 646358226 /nfs/dbraw/zinc/35/82/26/646358226.db2.gz FUZSBFGJKYOAAK-GRYCIOLGSA-N 1 3 238.375 1.268 20 0 BDADHO CC1(C)[C@H](NCC2(O)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925608595 646358230 /nfs/dbraw/zinc/35/82/30/646358230.db2.gz FUZSBFGJKYOAAK-GRYCIOLGSA-N 1 3 238.375 1.268 20 0 BDADHO C[C@H](CO)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925614316 646362040 /nfs/dbraw/zinc/36/20/40/646362040.db2.gz WKSFKORJLZYFLY-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CO)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925614316 646362042 /nfs/dbraw/zinc/36/20/42/646362042.db2.gz WKSFKORJLZYFLY-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](CO)CCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925630050 646373398 /nfs/dbraw/zinc/37/33/98/646373398.db2.gz PYDWSHOPJKOGHM-VXGBXAGGSA-N 1 3 226.364 1.269 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925645207 646386500 /nfs/dbraw/zinc/38/65/00/646386500.db2.gz OSFXFJSYYKNPEP-BNOWGMLFSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925645207 646386505 /nfs/dbraw/zinc/38/65/05/646386505.db2.gz OSFXFJSYYKNPEP-BNOWGMLFSA-N 1 3 240.391 1.779 20 0 BDADHO OCCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925656228 646395332 /nfs/dbraw/zinc/39/53/32/646395332.db2.gz JBKROEWPUYEISY-ZIAGYGMSSA-N 1 3 240.391 1.517 20 0 BDADHO c1nc2c([nH]1)C[C@@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925668933 646399714 /nfs/dbraw/zinc/39/97/14/646399714.db2.gz MHWSARBFNNNVDE-GWCFXTLKSA-N 1 3 246.358 1.141 20 0 BDADHO c1nc2c([nH]1)CC[C@H](N[C@H]1CC[NH2+]C13CCC3)C2 ZINC000925668933 646399720 /nfs/dbraw/zinc/39/97/20/646399720.db2.gz MHWSARBFNNNVDE-GWCFXTLKSA-N 1 3 246.358 1.141 20 0 BDADHO c1nc2c([nH]1)C[C@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925668936 646401180 /nfs/dbraw/zinc/40/11/80/646401180.db2.gz MHWSARBFNNNVDE-ZWNOBZJWSA-N 1 3 246.358 1.141 20 0 BDADHO c1nc2c([nH]1)CC[C@@H](N[C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925668936 646401185 /nfs/dbraw/zinc/40/11/85/646401185.db2.gz MHWSARBFNNNVDE-ZWNOBZJWSA-N 1 3 246.358 1.141 20 0 BDADHO CCCN1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925708341 646432681 /nfs/dbraw/zinc/43/26/81/646432681.db2.gz SJJITEYDXLQMAY-CHWSQXEVSA-N 1 3 237.391 1.345 20 0 BDADHO C[C@H]1NCCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000925714803 646438609 /nfs/dbraw/zinc/43/86/09/646438609.db2.gz WWJVCRNWLOZKJS-MFKMUULPSA-N 1 3 219.332 1.499 20 0 BDADHO C[C@H](NCCC(C)(C)[NH3+])c1cccc(CO)c1 ZINC000925742884 646465073 /nfs/dbraw/zinc/46/50/73/646465073.db2.gz YIHQRVQWWSDPHO-NSHDSACASA-N 1 3 236.359 1.957 20 0 BDADHO C[C@H](NCc1cc(N)ccn1)[C@@H]1CCCC[NH2+]1 ZINC000925765461 646466154 /nfs/dbraw/zinc/46/61/54/646466154.db2.gz BUFHFGIMVWCMNA-GWCFXTLKSA-N 1 3 234.347 1.284 20 0 BDADHO Nc1ccnc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000925767413 646469511 /nfs/dbraw/zinc/46/95/11/646469511.db2.gz OLROJDOBNHVUOA-ZWNOBZJWSA-N 1 3 234.347 1.271 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000925782452 646479057 /nfs/dbraw/zinc/47/90/57/646479057.db2.gz GMTSIWIUCGXEIC-UTUOFQBUSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1OCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846079 646509332 /nfs/dbraw/zinc/50/93/32/646509332.db2.gz OCJKJNBOVWUEGU-UMSGYPCISA-N 1 3 224.348 1.286 20 0 BDADHO Cc1ccc(NCCN[C@H](C)C[C@H](C)[NH3+])nc1 ZINC000925877041 646527697 /nfs/dbraw/zinc/52/76/97/646527697.db2.gz DNDYQAUNYHJACX-NWDGAFQWSA-N 1 3 236.363 1.517 20 0 BDADHO Cc1cc([C@@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000925879343 646529591 /nfs/dbraw/zinc/52/95/91/646529591.db2.gz BQZDEXKJLMITSE-MXWKQRLJSA-N 1 3 223.320 1.761 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1COC[C@H]1C)N1CCCCC1 ZINC000926144412 646584332 /nfs/dbraw/zinc/58/43/32/646584332.db2.gz PKVIZROKYBZABT-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](CCN[C@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144412 646584335 /nfs/dbraw/zinc/58/43/35/646584335.db2.gz PKVIZROKYBZABT-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276401 646610621 /nfs/dbraw/zinc/61/06/21/646610621.db2.gz XANNVZFXIAKNSW-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1COC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000926276401 646610624 /nfs/dbraw/zinc/61/06/24/646610624.db2.gz XANNVZFXIAKNSW-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO COC/C(C)=C\C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000930555335 711696836 /nfs/dbraw/zinc/69/68/36/711696836.db2.gz MFTOZBUEUAYOLV-HNFXJGKRSA-N 1 3 238.375 1.607 20 0 BDADHO COC/C(C)=C\C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000930555335 711696838 /nfs/dbraw/zinc/69/68/38/711696838.db2.gz MFTOZBUEUAYOLV-HNFXJGKRSA-N 1 3 238.375 1.607 20 0 BDADHO CN(Cc1cnccn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000700090763 711986100 /nfs/dbraw/zinc/98/61/00/711986100.db2.gz ZKRIUDXUQRPLPO-MNOVXSKESA-N 1 3 220.320 1.036 20 0 BDADHO COC[C@@H](C)C[NH2+]CC[C@@H](C)N(C)C ZINC000700489459 711994390 /nfs/dbraw/zinc/99/43/90/711994390.db2.gz RMWISZVAAXLOPZ-WDEREUQCSA-N 1 3 202.342 1.199 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCC1(F)CCC1 ZINC000702520666 712054635 /nfs/dbraw/zinc/05/46/35/712054635.db2.gz NWWFLSXQSOMYDY-QWRGUYRKSA-N 1 3 214.328 1.999 20 0 BDADHO C[C@H](C[NH2+]C1CCC(C)(O)CC1)CN(C)C ZINC000702987307 712062845 /nfs/dbraw/zinc/06/28/45/712062845.db2.gz AOMKKEARJOZBCM-PNESKVBLSA-N 1 3 228.380 1.467 20 0 BDADHO CC1(O)CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000703606819 712080411 /nfs/dbraw/zinc/08/04/11/712080411.db2.gz ZQVADKHESZDNNF-AHPWVWPOSA-N 1 3 240.391 1.787 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@H](N)CC(F)F)C[C@@H]21 ZINC000379559841 712388003 /nfs/dbraw/zinc/38/80/03/712388003.db2.gz POZAHDZBJHQYJG-HLTSFMKQSA-N 1 3 218.291 1.557 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@H](N)CC(F)F)C[C@@H]21 ZINC000379559841 712388005 /nfs/dbraw/zinc/38/80/05/712388005.db2.gz POZAHDZBJHQYJG-HLTSFMKQSA-N 1 3 218.291 1.557 20 0 BDADHO C[C@H]1CC[C@@H](C[N@@H+]2CCNCCC2(C)C)O1 ZINC000712555629 712444801 /nfs/dbraw/zinc/44/48/01/712444801.db2.gz WYYIDXXHOAEZSP-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]1CC[C@@H](C[N@H+]2CCNCCC2(C)C)O1 ZINC000712555629 712444803 /nfs/dbraw/zinc/44/48/03/712444803.db2.gz WYYIDXXHOAEZSP-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C=C/C=C\CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000713730605 712470744 /nfs/dbraw/zinc/47/07/44/712470744.db2.gz DBGIYVSFHUWHAJ-DHCBQETCSA-N 1 3 206.333 1.804 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000379817530 712611602 /nfs/dbraw/zinc/61/16/02/712611602.db2.gz RZHOVHSSWDRCFV-BBBLOLIVSA-N 1 3 232.418 1.304 20 0 BDADHO CN(C[C@@H](O)CC1CCCC1)C1CC([NH3+])C1 ZINC000384949129 712707027 /nfs/dbraw/zinc/70/70/27/712707027.db2.gz FYBWGVBGMYRVGB-BPCQOVAHSA-N 1 3 226.364 1.349 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)C1 ZINC000721962821 710694215 /nfs/dbraw/zinc/69/42/15/710694215.db2.gz OTXNXOXRTOGFQK-YIYPIFLZSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C)[C@H]2CCN)C1 ZINC000721962821 710694218 /nfs/dbraw/zinc/69/42/18/710694218.db2.gz OTXNXOXRTOGFQK-YIYPIFLZSA-N 1 3 240.391 1.861 20 0 BDADHO C[NH+](C)[C@@H]1[C@H]2CN(CCCCCCO)C[C@H]21 ZINC000385088004 711005478 /nfs/dbraw/zinc/00/54/78/711005478.db2.gz FWSPNJWPFHKQBB-ITGUQSILSA-N 1 3 226.364 1.031 20 0 BDADHO Cn1c(Cl)cnc1CNCCCCCC[NH3+] ZINC000393641742 711168107 /nfs/dbraw/zinc/16/81/07/711168107.db2.gz XNDMGSVECFCHML-UHFFFAOYSA-N 1 3 244.770 1.682 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCOCC1CC1 ZINC000396618000 711361005 /nfs/dbraw/zinc/36/10/05/711361005.db2.gz UCGHHBLZSUVKAZ-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000396617152 711360528 /nfs/dbraw/zinc/36/05/28/711360528.db2.gz GOEMCWGMKJEPPW-IACUBPJLSA-N 1 3 234.343 1.450 20 0 BDADHO CCOCC(C)(C)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396668655 711364254 /nfs/dbraw/zinc/36/42/54/711364254.db2.gz PTYNHDWCXHOAJJ-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO Cc1nc(C)c(CN2CCC(CC[NH3+])CC2)o1 ZINC000723632001 711527677 /nfs/dbraw/zinc/52/76/77/711527677.db2.gz CIZPRMLROXMNMQ-UHFFFAOYSA-N 1 3 237.347 1.852 20 0 BDADHO Cc1nc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)cs1 ZINC000723909692 711544884 /nfs/dbraw/zinc/54/48/84/711544884.db2.gz OZXRVIDSVQDAJR-MWLCHTKSSA-N 1 3 239.388 1.868 20 0 BDADHO C1[NH2+][C@H]2[C@H](N[C@@H]3CCCOCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000383108714 711672480 /nfs/dbraw/zinc/67/24/80/711672480.db2.gz DSMIHOMHSKCQBL-BSCCGWMCSA-N 1 3 236.359 1.142 20 0 BDADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711821 711711392 /nfs/dbraw/zinc/71/13/92/711711392.db2.gz SHXQHORKBVTBDF-WDEREUQCSA-N 1 3 222.336 1.593 20 0 BDADHO C[C@@H]([NH3+])[C@H](NC[C@H]1CCCN1C)c1ccccc1 ZINC000925721178 711716095 /nfs/dbraw/zinc/71/60/95/711716095.db2.gz AACJZCUQYCLISH-YUELXQCFSA-N 1 3 247.386 1.759 20 0 BDADHO CN(C)c1ccnc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000925814301 711754873 /nfs/dbraw/zinc/75/48/73/711754873.db2.gz KFRWHDCPZXPVSK-RYUDHWBXSA-N 1 3 248.374 1.507 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000229588959 711838561 /nfs/dbraw/zinc/83/85/61/711838561.db2.gz XTBGDNCUMRMMET-AXFHLTTASA-N 1 3 246.445 1.552 20 0 BDADHO C[N@@H+]1C[C@@]2(C)CN(CCCCO)C[C@@]2(C)C1 ZINC000705659365 712135178 /nfs/dbraw/zinc/13/51/78/712135178.db2.gz NFCNMKOHFRDFPR-BETUJISGSA-N 1 3 226.364 1.033 20 0 BDADHO C[N@H+]1C[C@@]2(C)CN(CCCCO)C[C@@]2(C)C1 ZINC000705659365 712135179 /nfs/dbraw/zinc/13/51/79/712135179.db2.gz NFCNMKOHFRDFPR-BETUJISGSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC000708321752 712186165 /nfs/dbraw/zinc/18/61/65/712186165.db2.gz ACGBIZUZPUCNGT-AVGNSLFASA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708325838 712187715 /nfs/dbraw/zinc/18/77/15/712187715.db2.gz YESNWMVNFSIIAR-WOPDTQHZSA-N 1 3 226.364 1.471 20 0 BDADHO CC1(C)C[C@H](C[N@@H+]2CC[C@H](CN)C2)C(C)(C)O1 ZINC000709687400 712215640 /nfs/dbraw/zinc/21/56/40/712215640.db2.gz PRRAMGNZXOOCNC-VXGBXAGGSA-N 1 3 240.391 1.861 20 0 BDADHO CC1(C)C[C@H](C[N@H+]2CC[C@H](CN)C2)C(C)(C)O1 ZINC000709687400 712215642 /nfs/dbraw/zinc/21/56/42/712215642.db2.gz PRRAMGNZXOOCNC-VXGBXAGGSA-N 1 3 240.391 1.861 20 0 BDADHO COCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000709285254 712219052 /nfs/dbraw/zinc/21/90/52/712219052.db2.gz QQLJPQCYWUSPIB-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@H](O)C1(C)C)[NH2+]2 ZINC000709415423 712221249 /nfs/dbraw/zinc/22/12/49/712221249.db2.gz QWEKBHBVCVNERJ-XARVFOJUSA-N 1 3 238.375 1.264 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@@H](O)C1(C)C)[NH2+]2 ZINC000709415416 712221514 /nfs/dbraw/zinc/22/15/14/712221514.db2.gz QWEKBHBVCVNERJ-NMIFLECGSA-N 1 3 238.375 1.264 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711450110 712301485 /nfs/dbraw/zinc/30/14/85/712301485.db2.gz JHDJBKCOICVKPZ-OLZOCXBDSA-N 1 3 246.370 1.369 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711450110 712301486 /nfs/dbraw/zinc/30/14/86/712301486.db2.gz JHDJBKCOICVKPZ-OLZOCXBDSA-N 1 3 246.370 1.369 20 0 BDADHO C[C@@H]1CCN(CCOC2CC2)C[C@H]1C[NH3+] ZINC000711754298 712324805 /nfs/dbraw/zinc/32/48/05/712324805.db2.gz UDRAYRKKLQBKEE-GHMZBOCLSA-N 1 3 212.337 1.082 20 0 BDADHO Cn1ncc(CNCCCC[NH+](C)C)c1Cl ZINC000378713317 712358728 /nfs/dbraw/zinc/35/87/28/712358728.db2.gz VYHZHAGAXJVPRU-UHFFFAOYSA-N 1 3 244.770 1.505 20 0 BDADHO C[NH2+]CCCN(C)C[C@H](COC)C(C)C ZINC000721916599 712391056 /nfs/dbraw/zinc/39/10/56/712391056.db2.gz YWFNKKPMVKKQHU-GFCCVEGCSA-N 1 3 216.369 1.446 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438282 712429715 /nfs/dbraw/zinc/42/97/15/712429715.db2.gz OASJFDLRVUFNBC-YNEHKIRRSA-N 1 3 238.375 1.757 20 0 BDADHO [NH3+]C1CCN(CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000712686530 712440498 /nfs/dbraw/zinc/44/04/98/712440498.db2.gz PSAYBOQGGSXNOC-YPMHNXCESA-N 1 3 208.349 1.846 20 0 BDADHO CC(C)OCC[N@@H+]1CCNCCC12CCC2 ZINC000713203804 712454797 /nfs/dbraw/zinc/45/47/97/712454797.db2.gz IUXWDPFJSGMMCF-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)OCC[N@H+]1CCNCCC12CCC2 ZINC000713203804 712454798 /nfs/dbraw/zinc/45/47/98/712454798.db2.gz IUXWDPFJSGMMCF-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO C=C/C=C\CCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000713642428 712467709 /nfs/dbraw/zinc/46/77/09/712467709.db2.gz LIXANZWHHYXCFF-OEFFGFFESA-N 1 3 206.333 1.660 20 0 BDADHO CCCn1cc(CNCCCC[NH+](C)C)nn1 ZINC000714471300 712491371 /nfs/dbraw/zinc/49/13/71/712491371.db2.gz WURVCCZHNYPPTD-UHFFFAOYSA-N 1 3 239.367 1.120 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715236464 712514114 /nfs/dbraw/zinc/51/41/14/712514114.db2.gz RJXSXJAOSDFAJC-MGPQQGTHSA-N 1 3 242.407 2.000 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715493414 712523513 /nfs/dbraw/zinc/52/35/13/712523513.db2.gz BYFRHEVXVUFTFA-HZSPNIEDSA-N 1 3 238.375 1.615 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715509174 712524463 /nfs/dbraw/zinc/52/44/63/712524463.db2.gz MIUQNUNEVZQLKV-FPMFFAJLSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715511683 712524727 /nfs/dbraw/zinc/52/47/27/712524727.db2.gz STZVTGUQECZCDC-IGHBBLSQSA-N 1 3 238.375 1.613 20 0 BDADHO Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(N)n1 ZINC000715569993 712529237 /nfs/dbraw/zinc/52/92/37/712529237.db2.gz JMFVPPFNGVIBMO-MNOVXSKESA-N 1 3 249.362 1.652 20 0 BDADHO CC[C@H](C)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720869947 712871981 /nfs/dbraw/zinc/87/19/81/712871981.db2.gz AHEGJGOCWWIQKH-CIUDSAMLSA-N 1 3 224.270 1.854 20 0 BDADHO [NH3+]C[C@@H]1CN(CC2CCC2)C[C@@H]1C(F)(F)F ZINC000720874701 712872595 /nfs/dbraw/zinc/87/25/95/712872595.db2.gz ZDAWAWPBVWRCHG-ZJUUUORDSA-N 1 3 236.281 1.856 20 0 BDADHO CC1(C[NH2+]C2CCNCC2)CC(F)(F)C1 ZINC000720991663 712886452 /nfs/dbraw/zinc/88/64/52/712886452.db2.gz HBCXGWJLXBKRIV-UHFFFAOYSA-N 1 3 218.291 1.763 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(CCCCOC)C[C@H]2C1 ZINC001209219038 957366334 /nfs/dbraw/zinc/36/63/34/957366334.db2.gz AFFIGWISBVJZST-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN1C[C@@H]2C[NH+](CCCCOC)C[C@H]2C1 ZINC001209219038 957366346 /nfs/dbraw/zinc/36/63/46/957366346.db2.gz AFFIGWISBVJZST-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCOCC1 ZINC000710454339 962381903 /nfs/dbraw/zinc/38/19/03/962381903.db2.gz LTUJFPWQXNYCQW-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H]1C ZINC001157922113 963766154 /nfs/dbraw/zinc/76/61/54/963766154.db2.gz DZXLJBHHUKMRLN-NEPJUHHUSA-N 1 3 241.379 1.103 20 0 BDADHO CC[NH2+][C@H](CNC(=O)CN(C)C(C)C)C(C)C ZINC001482573182 963804743 /nfs/dbraw/zinc/80/47/43/963804743.db2.gz VJVAKBORUYBQOV-GFCCVEGCSA-N 1 3 243.395 1.077 20 0 BDADHO C[C@@H](CCN[C@@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857871 964568514 /nfs/dbraw/zinc/56/85/14/964568514.db2.gz KWCLGVUINOGSQR-GARJFASQSA-N 1 3 200.326 1.094 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N(C)C)CCO1 ZINC000697911251 964676992 /nfs/dbraw/zinc/67/69/92/964676992.db2.gz YQEDWPQXWZFPOU-FRRDWIJNSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H](CN[C@H]1CO[C@@H](C2CC2)C1)C[NH+](C)C ZINC000691287909 966784807 /nfs/dbraw/zinc/78/48/07/966784807.db2.gz VIQMSBQNHIFMDV-RAIGVLPGSA-N 1 3 226.364 1.341 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1CCOC(C)(C)C1 ZINC001205171028 967409165 /nfs/dbraw/zinc/40/91/65/967409165.db2.gz JMKASHNISKIVMP-IJLUTSLNSA-N 1 3 226.364 1.613 20 0 BDADHO COC1CC(C[N@@H+]2CCC[C@H](CN)C2)C1 ZINC000703840777 967878927 /nfs/dbraw/zinc/87/89/27/967878927.db2.gz FIBPLKIQCZDVDB-VOMCLLRMSA-N 1 3 212.337 1.082 20 0 BDADHO COC1CC(C[N@H+]2CCC[C@H](CN)C2)C1 ZINC000703840777 967878929 /nfs/dbraw/zinc/87/89/29/967878929.db2.gz FIBPLKIQCZDVDB-VOMCLLRMSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1COCCN(C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607911 969164191 /nfs/dbraw/zinc/16/41/91/969164191.db2.gz NUXNRRMEFDHZDV-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO C[C@@H]1COCCN(C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607911 969164196 /nfs/dbraw/zinc/16/41/96/969164196.db2.gz NUXNRRMEFDHZDV-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618297 969175514 /nfs/dbraw/zinc/17/55/14/969175514.db2.gz VUKIUBOYSFXKRD-RWMBFGLXSA-N 1 3 224.348 1.049 20 0 BDADHO C[N@H+]1CCC[C@H](CN2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618297 969175519 /nfs/dbraw/zinc/17/55/19/969175519.db2.gz VUKIUBOYSFXKRD-RWMBFGLXSA-N 1 3 224.348 1.049 20 0 BDADHO CCOC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078813 969398295 /nfs/dbraw/zinc/39/82/95/969398295.db2.gz HJZNGJSDFCOVAD-CNDDSTCGSA-N 1 3 240.347 1.154 20 0 BDADHO CCOC(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078813 969398304 /nfs/dbraw/zinc/39/83/04/969398304.db2.gz HJZNGJSDFCOVAD-CNDDSTCGSA-N 1 3 240.347 1.154 20 0 BDADHO CCO[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC001209452108 969519332 /nfs/dbraw/zinc/51/93/32/969519332.db2.gz DDRFDTPOWGBRMQ-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO CCO[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC001209452108 969519338 /nfs/dbraw/zinc/51/93/38/969519338.db2.gz DDRFDTPOWGBRMQ-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO CN(C)C[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(C)C1 ZINC001255488080 970231874 /nfs/dbraw/zinc/23/18/74/970231874.db2.gz XOJZDIBIULSBHQ-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)C[C@@H]1CCC[N@H+]1[C@@H]1CCCN(C)C1 ZINC001255488080 970231886 /nfs/dbraw/zinc/23/18/86/970231886.db2.gz XOJZDIBIULSBHQ-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@@H](O)CC1 ZINC001255942801 970576261 /nfs/dbraw/zinc/57/62/61/970576261.db2.gz BEARMQITGWZNDU-MELADBBJSA-N 1 3 242.407 2.000 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001255942070 970578407 /nfs/dbraw/zinc/57/84/07/970578407.db2.gz BTZLDEIDDZQBCT-RWMBFGLXSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC001255951043 970582915 /nfs/dbraw/zinc/58/29/15/970582915.db2.gz MASLLZBCAIHTLO-YPMHNXCESA-N 1 3 228.380 1.467 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](CO)C1CC1 ZINC001255951043 970582922 /nfs/dbraw/zinc/58/29/22/970582922.db2.gz MASLLZBCAIHTLO-YPMHNXCESA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@@H](CO)C1 ZINC001255954785 970586217 /nfs/dbraw/zinc/58/62/17/970586217.db2.gz HZIWPJQBRBHNGM-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC001255954785 970586205 /nfs/dbraw/zinc/58/62/05/970586205.db2.gz HZIWPJQBRBHNGM-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC001255962903 970599964 /nfs/dbraw/zinc/59/99/64/970599964.db2.gz BWAYYGFXNKKVIK-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC001255962903 970599968 /nfs/dbraw/zinc/59/99/68/970599968.db2.gz BWAYYGFXNKKVIK-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO COC(=O)CCCC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001173444552 975383083 /nfs/dbraw/zinc/38/30/83/975383083.db2.gz KLAKAHNNFNSBNP-VXGBXAGGSA-N 1 3 244.379 1.635 20 0 BDADHO COC(=O)CCCC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001173444552 975383093 /nfs/dbraw/zinc/38/30/93/975383093.db2.gz KLAKAHNNFNSBNP-VXGBXAGGSA-N 1 3 244.379 1.635 20 0 BDADHO CCN1CC[C@H]([NH2+]CCN(C(C)C)C(C)C)C1 ZINC000328512144 978407824 /nfs/dbraw/zinc/40/78/24/978407824.db2.gz ODHRQDGMTSJGQY-AWEZNQCLSA-N 1 3 241.423 1.789 20 0 BDADHO CN(C[C@@H]1CC1(C)C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235959498 979225066 /nfs/dbraw/zinc/22/50/66/979225066.db2.gz VWZHQINYULHSRM-QWRGUYRKSA-N 1 3 226.364 1.689 20 0 BDADHO CCCCCCN(C)CC(=O)NCC1([NH3+])CC1 ZINC001342062338 979641880 /nfs/dbraw/zinc/64/18/80/979641880.db2.gz BQGNXVKGMMQYQS-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCCCCN1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001201735489 983471002 /nfs/dbraw/zinc/47/10/02/983471002.db2.gz SXDHAKPOAFAKEP-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCCCCN1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001201735489 983471022 /nfs/dbraw/zinc/47/10/22/983471022.db2.gz SXDHAKPOAFAKEP-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC001202598622 984105757 /nfs/dbraw/zinc/10/57/57/984105757.db2.gz POKGZBSMUKEDEF-UHFFFAOYSA-N 1 3 238.375 1.441 20 0 BDADHO CC(C)COCC[C@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC001172459164 974822905 /nfs/dbraw/zinc/82/29/05/974822905.db2.gz FRCUDRDADHTHKB-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@H](C)[N@H+]1CCC[C@H](N)C1 ZINC001172459164 974822910 /nfs/dbraw/zinc/82/29/10/974822910.db2.gz FRCUDRDADHTHKB-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]1C[N@@H+](C2CCNCC2)CCC[C@]1(C)O ZINC001246590328 972997013 /nfs/dbraw/zinc/99/70/13/972997013.db2.gz JCRLEPLEGDCBOX-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[N@H+](C2CCNCC2)CCC[C@]1(C)O ZINC001246590328 972997028 /nfs/dbraw/zinc/99/70/28/972997028.db2.gz JCRLEPLEGDCBOX-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](CO)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256564351 970863848 /nfs/dbraw/zinc/86/38/48/970863848.db2.gz XWDIBKHIANQPCX-GFCCVEGCSA-N 1 3 242.407 1.857 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082543 971091762 /nfs/dbraw/zinc/09/17/62/971091762.db2.gz AAWGQDFKYQIHKP-WISYIIOYSA-N 1 3 214.353 1.469 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082543 971091771 /nfs/dbraw/zinc/09/17/71/971091771.db2.gz AAWGQDFKYQIHKP-WISYIIOYSA-N 1 3 214.353 1.469 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@](C)(CO)C2)CC1 ZINC001257214298 971129773 /nfs/dbraw/zinc/12/97/73/971129773.db2.gz AAWHBXWWVKZINM-AWEZNQCLSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@](C)(O)C2)CC1 ZINC001257215151 971135210 /nfs/dbraw/zinc/13/52/10/971135210.db2.gz TUTNXDUNEDVYMP-ZDUSSCGKSA-N 1 3 226.364 1.316 20 0 BDADHO Cc1cc(CN2CCC(C[NH3+])CC2)sn1 ZINC000404502466 971171303 /nfs/dbraw/zinc/17/13/03/971171303.db2.gz ZASRHDYBNFOGMG-UHFFFAOYSA-N 1 3 225.361 1.622 20 0 BDADHO Cn1ccc2c1cc[nH+]c2N1CCN2CC[C@H]2C1 ZINC001158424960 971230250 /nfs/dbraw/zinc/23/02/50/971230250.db2.gz ZSUKACKWISBOMD-NSHDSACASA-N 1 3 242.326 1.468 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCOCC(F)F)C12CCC2 ZINC000405293390 971233203 /nfs/dbraw/zinc/23/32/03/971233203.db2.gz ZJUVNTZLMABWKM-BDAKNGLRSA-N 1 3 234.290 1.128 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)CO1 ZINC000405322733 971237036 /nfs/dbraw/zinc/23/70/36/971237036.db2.gz VOWBEIGAYYOULV-RCWTZXSCSA-N 1 3 210.321 1.023 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405348638 971240219 /nfs/dbraw/zinc/24/02/19/971240219.db2.gz MNIQCELYOZZYKI-SDDRHHMPSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405348638 971240233 /nfs/dbraw/zinc/24/02/33/971240233.db2.gz MNIQCELYOZZYKI-SDDRHHMPSA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H]1[C@@H](NCCC[NH+]2CCCCC2)CO[C@H]1C ZINC000405551409 971271047 /nfs/dbraw/zinc/27/10/47/971271047.db2.gz SFKZOHJLFBNUFO-IHRRRGAJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000405562673 971272992 /nfs/dbraw/zinc/27/29/92/971272992.db2.gz ARABXHXDVHKTKV-ITGHMWBKSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000405562673 971272997 /nfs/dbraw/zinc/27/29/97/971272997.db2.gz ARABXHXDVHKTKV-ITGHMWBKSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@H]1C)CN1CCCC1 ZINC000405565413 971273935 /nfs/dbraw/zinc/27/39/35/971273935.db2.gz ZZJYHBNKSIYQSL-YIYPIFLZSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC000405565413 971273951 /nfs/dbraw/zinc/27/39/51/971273951.db2.gz ZZJYHBNKSIYQSL-YIYPIFLZSA-N 1 3 240.391 1.731 20 0 BDADHO C[N@@H+]1CCC2(CN(C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758268 971323608 /nfs/dbraw/zinc/32/36/08/971323608.db2.gz DJQYDCFQABLZMX-BFHYXJOUSA-N 1 3 232.371 1.836 20 0 BDADHO C[N@H+]1CCC2(CN(C[C@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758268 971323618 /nfs/dbraw/zinc/32/36/18/971323618.db2.gz DJQYDCFQABLZMX-BFHYXJOUSA-N 1 3 232.371 1.836 20 0 BDADHO COCC[N@H+](C)C1CCN(CC(C)C)CC1 ZINC001258012554 971553828 /nfs/dbraw/zinc/55/38/28/971553828.db2.gz YRFDZPIZLZVHCE-UHFFFAOYSA-N 1 3 228.380 1.685 20 0 BDADHO COCC[N@@H+](C)C1CCN(CC(C)C)CC1 ZINC001258012554 971553842 /nfs/dbraw/zinc/55/38/42/971553842.db2.gz YRFDZPIZLZVHCE-UHFFFAOYSA-N 1 3 228.380 1.685 20 0 BDADHO C[C@@H]1C[C@H](Oc2cccc3c2CNC3)C[NH2+]1 ZINC001218047929 971589160 /nfs/dbraw/zinc/58/91/60/971589160.db2.gz LOXQZBJQBDBSDC-KOLCDFICSA-N 1 3 218.300 1.419 20 0 BDADHO c1cc2c(c(O[C@@H]3C[C@H]4CC[NH2+][C@@H]4C3)c1)CNC2 ZINC001218251111 971650971 /nfs/dbraw/zinc/65/09/71/971650971.db2.gz QOCNBWHRPUQESV-MPKXVKKWSA-N 1 3 244.338 1.809 20 0 BDADHO c1cc2c(c(O[C@@H]3C[NH2+]CCC34CC4)c1)CNC2 ZINC001218404933 971779446 /nfs/dbraw/zinc/77/94/46/971779446.db2.gz PQZZOHKXLUEJPA-CQSZACIVSA-N 1 3 244.338 1.811 20 0 BDADHO CC(C)c1ccccc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218813300 971944618 /nfs/dbraw/zinc/94/46/18/971944618.db2.gz ZDGVDFOVOIMQJK-LBPRGKRZSA-N 1 3 249.358 1.815 20 0 BDADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc(O)cc2)C1 ZINC000310205956 971957468 /nfs/dbraw/zinc/95/74/68/971957468.db2.gz CPWJQPLGUCIOIG-ZDUSSCGKSA-N 1 3 234.343 1.953 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)C=CC2 ZINC001170900443 972066372 /nfs/dbraw/zinc/06/63/72/972066372.db2.gz LIKRSZBEWJFVIQ-CYBMUJFWSA-N 1 3 217.316 1.692 20 0 BDADHO CCc1cc(OC)ccc1N[C@@H](N)CCC[NH3+] ZINC001170900219 972066545 /nfs/dbraw/zinc/06/65/45/972066545.db2.gz QMMRKQXVSZECGR-CYBMUJFWSA-N 1 3 237.347 1.693 20 0 BDADHO Cc1cn(C)c2ccc(N[C@H](N)CCC[NH3+])cc12 ZINC001170905059 972079870 /nfs/dbraw/zinc/07/98/70/972079870.db2.gz QVVLRWGBFXURLJ-AWEZNQCLSA-N 1 3 246.358 1.922 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CCN1 ZINC001246073238 972126845 /nfs/dbraw/zinc/12/68/45/972126845.db2.gz RSDLDCLGUIFKNF-USZNOCQGSA-N 1 3 212.337 1.020 20 0 BDADHO C[NH2+]CCCCNC(=O)[C@@H](N)C1CCCCC1 ZINC001220077811 972152095 /nfs/dbraw/zinc/15/20/95/972152095.db2.gz XKTDQDQYJHADMD-LBPRGKRZSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@H]1CC[C@@H](CNC2CCSCC2)[NH2+]C1 ZINC001246110163 972174693 /nfs/dbraw/zinc/17/46/93/972174693.db2.gz HLLOJDCNLCWBAW-JQWIXIFHSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H](C[NH3+])CN(C)[C@@H]1COC(C)(C)C1 ZINC000396634017 957090975 /nfs/dbraw/zinc/09/09/75/957090975.db2.gz HCDDZNXYCUXHCB-UWVGGRQHSA-N 1 3 200.326 1.081 20 0 BDADHO CSC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000300819699 957658494 /nfs/dbraw/zinc/65/84/94/957658494.db2.gz INUOXDXSYNGYCN-MNOVXSKESA-N 1 3 228.405 1.669 20 0 BDADHO CC(C)P(CCNC(=O)[C@@H](C)[NH3+])C(C)C ZINC001221254530 972304765 /nfs/dbraw/zinc/30/47/65/972304765.db2.gz PDIFCKVGEFKMMJ-SNVBAGLBSA-N 1 3 232.308 1.749 20 0 BDADHO Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13CNC3)C2 ZINC001246447915 972320843 /nfs/dbraw/zinc/32/08/43/972320843.db2.gz XQKOHNXREGSMJW-KBPBESRZSA-N 1 3 246.329 1.635 20 0 BDADHO CSCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246529482 972418850 /nfs/dbraw/zinc/41/88/50/972418850.db2.gz KMQBXEHAFRRZTC-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO CSCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246529482 972418857 /nfs/dbraw/zinc/41/88/57/972418857.db2.gz KMQBXEHAFRRZTC-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO CCOCC[C@@H](C)[N@H+](CCCN)C(C)C ZINC001172409558 974671184 /nfs/dbraw/zinc/67/11/84/974671184.db2.gz WVCWEHZZJGXQAH-GFCCVEGCSA-N 1 3 216.369 1.861 20 0 BDADHO CCOCC[C@@H](C)[N@@H+](CCCN)C(C)C ZINC001172409558 974671191 /nfs/dbraw/zinc/67/11/91/974671191.db2.gz WVCWEHZZJGXQAH-GFCCVEGCSA-N 1 3 216.369 1.861 20 0 BDADHO COC(C)(C)CC[N@@H+]1CCCC[C@@H](CN)C1 ZINC000393758871 959896624 /nfs/dbraw/zinc/89/66/24/959896624.db2.gz YXPYGIRZGWPNHK-LBPRGKRZSA-N 1 3 228.380 1.862 20 0 BDADHO COC(C)(C)CC[N@H+]1CCCC[C@@H](CN)C1 ZINC000393758871 959896626 /nfs/dbraw/zinc/89/66/26/959896626.db2.gz YXPYGIRZGWPNHK-LBPRGKRZSA-N 1 3 228.380 1.862 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@H](C)C1 ZINC000167317358 960049648 /nfs/dbraw/zinc/04/96/48/960049648.db2.gz CTSPHQPWKALSII-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCOCC2)CCN1 ZINC000709375039 960535766 /nfs/dbraw/zinc/53/57/66/960535766.db2.gz LTAMWKBWWZZCOI-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO CCC[C@@H](C)C[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491426 972514049 /nfs/dbraw/zinc/51/40/49/972514049.db2.gz AQZAZPHGFGYHLQ-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO CCC[C@@H](C)C[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491426 972514076 /nfs/dbraw/zinc/51/40/76/972514076.db2.gz AQZAZPHGFGYHLQ-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO Cc1nccnc1CN(C)CC1CC[NH+](C)CC1 ZINC001140937553 960724306 /nfs/dbraw/zinc/72/43/06/960724306.db2.gz MSGPMSNXRZMXNY-UHFFFAOYSA-N 1 3 248.374 1.559 20 0 BDADHO C[C@@H]1C[C@@H](NCC2SCCS2)CC[N@@H+]1C ZINC000692903993 961208046 /nfs/dbraw/zinc/20/80/46/961208046.db2.gz HKTWVIVLDSJLIG-ZJUUUORDSA-N 1 3 246.445 1.865 20 0 BDADHO C[C@@H]1C[C@@H](NCC2SCCS2)CC[N@H+]1C ZINC000692903993 961208079 /nfs/dbraw/zinc/20/80/79/961208079.db2.gz HKTWVIVLDSJLIG-ZJUUUORDSA-N 1 3 246.445 1.865 20 0 BDADHO COC(C)(C)C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000709373682 961268983 /nfs/dbraw/zinc/26/89/83/961268983.db2.gz IFSNJOBTVSUFKV-NXEZZACHSA-N 1 3 200.326 1.142 20 0 BDADHO COC(C)(C)CN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000709373682 961269003 /nfs/dbraw/zinc/26/90/03/961269003.db2.gz IFSNJOBTVSUFKV-NXEZZACHSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@@H](C)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152427230 962425947 /nfs/dbraw/zinc/42/59/47/962425947.db2.gz USVKXLRHUSAREV-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO CN(C)c1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154976951 962925655 /nfs/dbraw/zinc/92/56/55/962925655.db2.gz LWNBDXVLZPVYNJ-GHMZBOCLSA-N 1 3 234.347 1.829 20 0 BDADHO COC[C@H]1CCCC[N@H+](CCCNC2CC2)C1 ZINC000696610980 963288460 /nfs/dbraw/zinc/28/84/60/963288460.db2.gz SELUMLIUUFWMJU-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO COC[C@H]1CCCC[N@@H+](CCCNC2CC2)C1 ZINC000696610980 963288469 /nfs/dbraw/zinc/28/84/69/963288469.db2.gz SELUMLIUUFWMJU-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111320 963750513 /nfs/dbraw/zinc/75/05/13/963750513.db2.gz APHGLGONNHDNIP-RFQIPJPRSA-N 1 3 238.375 1.437 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111320 963750516 /nfs/dbraw/zinc/75/05/16/963750516.db2.gz APHGLGONNHDNIP-RFQIPJPRSA-N 1 3 238.375 1.437 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CCN3CC[C@@H]3C2)[nH+]1 ZINC001158435269 963874628 /nfs/dbraw/zinc/87/46/28/963874628.db2.gz XKAATKLJAHYKFO-LLVKDONJSA-N 1 3 242.326 1.766 20 0 BDADHO Cc1cc(C)nc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159489120 964112467 /nfs/dbraw/zinc/11/24/67/964112467.db2.gz JRUSPLZSYIJIPM-VXGBXAGGSA-N 1 3 235.331 1.487 20 0 BDADHO C[C@@H](Nc1cc2[nH]ccc2c[nH+]1)[C@@H]1CNCCO1 ZINC001159488286 964113664 /nfs/dbraw/zinc/11/36/64/964113664.db2.gz BONGVLZUEYKGPL-SKDRFNHKSA-N 1 3 246.314 1.352 20 0 BDADHO CN(Cc1ccc(NC/C=C/C[NH3+])nc1)C1CC1 ZINC001160982503 964466290 /nfs/dbraw/zinc/46/62/90/964466290.db2.gz LGSYCKNAUJMMRS-NSCUHMNNSA-N 1 3 246.358 1.603 20 0 BDADHO NCc1cn(C2CC[NH+](CC3CC3)CC2)cn1 ZINC001168351102 964489857 /nfs/dbraw/zinc/48/98/57/964489857.db2.gz CZQQAYYLPVIJSI-UHFFFAOYSA-N 1 3 234.347 1.389 20 0 BDADHO C[C@@H](CC[NH2+]CC[C@H]1CCOC1)N(C)C ZINC000697874493 964598501 /nfs/dbraw/zinc/59/85/01/964598501.db2.gz ZHGVEVUPQNSRKQ-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000697910832 964676721 /nfs/dbraw/zinc/67/67/21/964676721.db2.gz VTNFMTNMFMPIKP-FVCCEPFGSA-N 1 3 228.380 1.872 20 0 BDADHO CN1CCC[C@@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224818024 964989340 /nfs/dbraw/zinc/98/93/40/964989340.db2.gz GMMBAUGOFIQUJQ-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224818024 964989346 /nfs/dbraw/zinc/98/93/46/964989346.db2.gz GMMBAUGOFIQUJQ-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO Cc1c(N)ccnc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162977839 965216212 /nfs/dbraw/zinc/21/62/12/965216212.db2.gz IIAQJNOZDJPCAB-WCQYABFASA-N 1 3 232.331 1.669 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089144426 965654757 /nfs/dbraw/zinc/65/47/57/965654757.db2.gz UHOFJGCSUPNFGM-UPJWGTAASA-N 1 3 236.363 1.379 20 0 BDADHO C[C@@H]1CC[C@H](C[NH3+])N(c2cc(N(C)C)ccn2)C1 ZINC001164070933 965727408 /nfs/dbraw/zinc/72/74/08/965727408.db2.gz QKWBFEHLDNSRQZ-DGCLKSJQSA-N 1 3 248.374 1.711 20 0 BDADHO CCC(=O)C(C)(C)CN1CCC[C@@H]([NH3+])CC1 ZINC001205095032 965736165 /nfs/dbraw/zinc/73/61/65/965736165.db2.gz SXVLLKYKSVRPAH-LLVKDONJSA-N 1 3 226.364 1.805 20 0 BDADHO CCC(=O)C(C)(C)C[N@@H+]1CCC[C@@H](N)CC1 ZINC001205095032 965736180 /nfs/dbraw/zinc/73/61/80/965736180.db2.gz SXVLLKYKSVRPAH-LLVKDONJSA-N 1 3 226.364 1.805 20 0 BDADHO CCC(=O)C(C)(C)C[N@H+]1CCC[C@@H](N)CC1 ZINC001205095032 965736187 /nfs/dbraw/zinc/73/61/87/965736187.db2.gz SXVLLKYKSVRPAH-LLVKDONJSA-N 1 3 226.364 1.805 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715176507 965772772 /nfs/dbraw/zinc/77/27/72/965772772.db2.gz DZMJOJRMFKERAZ-UPJWGTAASA-N 1 3 228.380 1.610 20 0 BDADHO [NH3+][C@H]1CCN(c2c[nH]cc3ccnc2-3)C1 ZINC001164281839 965825448 /nfs/dbraw/zinc/82/54/48/965825448.db2.gz OSEWETZAIVSDNY-VIFPVBQESA-N 1 3 202.261 1.100 20 0 BDADHO [NH3+]CCc1nccn1-c1ccnc(C2CC2)c1 ZINC001166384997 966276322 /nfs/dbraw/zinc/27/63/22/966276322.db2.gz ZSPXZEHNDSKYMU-UHFFFAOYSA-N 1 3 228.299 1.646 20 0 BDADHO CS[C@@H](C)CC[N@@H+]1CC[C@@](C)(N)C1 ZINC001204763036 967151035 /nfs/dbraw/zinc/15/10/35/967151035.db2.gz FGSXBBSXQXFMMI-VHSXEESVSA-N 1 3 202.367 1.551 20 0 BDADHO CS[C@@H](C)CC[N@H+]1CC[C@@](C)(N)C1 ZINC001204763036 967151045 /nfs/dbraw/zinc/15/10/45/967151045.db2.gz FGSXBBSXQXFMMI-VHSXEESVSA-N 1 3 202.367 1.551 20 0 BDADHO CS[C@H](C)CC[N@@H+]1CC[C@](C)(N)C1 ZINC001204763039 967156498 /nfs/dbraw/zinc/15/64/98/967156498.db2.gz FGSXBBSXQXFMMI-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO CS[C@H](C)CC[N@H+]1CC[C@](C)(N)C1 ZINC001204763039 967156504 /nfs/dbraw/zinc/15/65/04/967156504.db2.gz FGSXBBSXQXFMMI-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO C[C@@H](Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CNCCO1 ZINC000169193501 967215670 /nfs/dbraw/zinc/21/56/70/967215670.db2.gz HBWSLHAERGLKOX-QMTHXVAHSA-N 1 3 247.342 1.079 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC001205058216 967314409 /nfs/dbraw/zinc/31/44/09/967314409.db2.gz GPGCOTCRSIAXIG-XQQFMLRXSA-N 1 3 225.380 1.140 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@@H]1CCCN(C)C1 ZINC001205058216 967314416 /nfs/dbraw/zinc/31/44/16/967314416.db2.gz GPGCOTCRSIAXIG-XQQFMLRXSA-N 1 3 225.380 1.140 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc2c[nH]ccc-2n1 ZINC001205074979 967325663 /nfs/dbraw/zinc/32/56/63/967325663.db2.gz DBRRTWPQRVWWPT-GWCFXTLKSA-N 1 3 244.342 1.875 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc2cnccc2[nH]1 ZINC001205074979 967325669 /nfs/dbraw/zinc/32/56/69/967325669.db2.gz DBRRTWPQRVWWPT-GWCFXTLKSA-N 1 3 244.342 1.875 20 0 BDADHO COC1CCC(CN2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205177623 967411256 /nfs/dbraw/zinc/41/12/56/967411256.db2.gz YSGOAGISEJMLQV-IKWCTNDRSA-N 1 3 226.364 1.613 20 0 BDADHO C[C@@H]1CN(Cc2cn(C)cn2)CCC[C@@H]1C[NH3+] ZINC001205995914 967950022 /nfs/dbraw/zinc/95/00/22/967950022.db2.gz RSGMDVACXMHTGB-VXGBXAGGSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@@H]1CN(Cc2cc3c[nH]ccc-3n2)C[C@H]1[NH3+] ZINC001206070458 968039280 /nfs/dbraw/zinc/03/92/80/968039280.db2.gz LDTBGKXIDUNCMT-BXKDBHETSA-N 1 3 230.315 1.342 20 0 BDADHO C[C@@H]1CN(Cc2cc3cnccc3[nH]2)C[C@H]1[NH3+] ZINC001206070458 968039290 /nfs/dbraw/zinc/03/92/90/968039290.db2.gz LDTBGKXIDUNCMT-BXKDBHETSA-N 1 3 230.315 1.342 20 0 BDADHO CCC[NH2+]CC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001273204481 968227329 /nfs/dbraw/zinc/22/73/29/968227329.db2.gz LIFKNLDGRCCKHK-GFCCVEGCSA-N 1 3 243.395 1.221 20 0 BDADHO CC[C@@H](O)CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001251799508 968337153 /nfs/dbraw/zinc/33/71/53/968337153.db2.gz AZFNFBSTPQILPC-MGPQQGTHSA-N 1 3 242.407 1.715 20 0 BDADHO CCCC[C@H](O)CNCCC[NH+](CC)CC ZINC001252076817 968494923 /nfs/dbraw/zinc/49/49/23/968494923.db2.gz CFGTVBKNBYRYGB-ZDUSSCGKSA-N 1 3 230.396 1.859 20 0 BDADHO Cc1cncc(CN2CCC3(C[NH+](C)C3)CC2)c1 ZINC001207162332 968669960 /nfs/dbraw/zinc/66/99/60/968669960.db2.gz DKUMSJKSSKQQAG-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1cncc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001207162332 968669966 /nfs/dbraw/zinc/66/99/66/968669966.db2.gz DKUMSJKSSKQQAG-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO CC(=O)[C@H]1CC[N@H+](CCC2CCN(C)CC2)C1 ZINC001207487655 968802603 /nfs/dbraw/zinc/80/26/03/968802603.db2.gz PYGRVVUIRSNUCB-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CC(=O)[C@H]1CC[N@@H+](CCC2CCN(C)CC2)C1 ZINC001207487655 968802602 /nfs/dbraw/zinc/80/26/02/968802602.db2.gz PYGRVVUIRSNUCB-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CN(C)Cc1ccnc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154990943 968844008 /nfs/dbraw/zinc/84/40/08/968844008.db2.gz ZEYQMWSEGNYUGM-STQMWFEESA-N 1 3 248.374 1.825 20 0 BDADHO CC[NH+]1C[C@H]2CN(CCCn3cccn3)C[C@@H]2C1 ZINC001208086115 968989412 /nfs/dbraw/zinc/98/94/12/968989412.db2.gz FOSWGNPBFVEQGQ-KBPBESRZSA-N 1 3 248.374 1.157 20 0 BDADHO CCC[C@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001252806255 968994118 /nfs/dbraw/zinc/99/41/18/968994118.db2.gz ROKAQETWCOXSQF-LBPRGKRZSA-N 1 3 247.342 1.856 20 0 BDADHO CC[NH+]1CCC(CN2CCOC(C)(C)C2)CC1 ZINC001208592771 969152046 /nfs/dbraw/zinc/15/20/46/969152046.db2.gz BKTZWSHDWSIIOG-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1(CC2CC2)CC1 ZINC001253411111 969165087 /nfs/dbraw/zinc/16/50/87/969165087.db2.gz BTDNKPALGLQHOW-GFCCVEGCSA-N 1 3 240.391 1.658 20 0 BDADHO CCOC(C)(C)CN(C)CCC[NH+](C)C ZINC001209070212 969347474 /nfs/dbraw/zinc/34/74/74/969347474.db2.gz OYRYBOKYKKZHEQ-UHFFFAOYSA-N 1 3 216.369 1.685 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CN3CCC1CC3)C2 ZINC001169094455 969386357 /nfs/dbraw/zinc/38/63/57/969386357.db2.gz LOHUIJAPQVOVCS-XGUBFFRZSA-N 1 3 249.402 1.295 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100527 969390868 /nfs/dbraw/zinc/39/08/68/969390868.db2.gz KNUCYECRLRXNEO-WYUUTHIRSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100527 969390881 /nfs/dbraw/zinc/39/08/81/969390881.db2.gz KNUCYECRLRXNEO-WYUUTHIRSA-N 1 3 234.347 1.701 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ncccn1)C2 ZINC001169100463 969393915 /nfs/dbraw/zinc/39/39/15/969393915.db2.gz JJUOIQOCARQMRA-CLLJXQQHSA-N 1 3 246.358 1.234 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(O)CC1)C2 ZINC001169125294 969426508 /nfs/dbraw/zinc/42/65/08/969426508.db2.gz YKXLTNPCQWBRSZ-GDNZZTSVSA-N 1 3 224.348 1.068 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(O)CC1)C2 ZINC001169125294 969426511 /nfs/dbraw/zinc/42/65/11/969426511.db2.gz YKXLTNPCQWBRSZ-GDNZZTSVSA-N 1 3 224.348 1.068 20 0 BDADHO Cc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)nc(N)n1 ZINC000690358578 969474993 /nfs/dbraw/zinc/47/49/93/969474993.db2.gz TYHQADWVURZGDI-SNVBAGLBSA-N 1 3 249.362 1.652 20 0 BDADHO Cc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)nc(N)n1 ZINC000690358578 969475001 /nfs/dbraw/zinc/47/50/01/969475001.db2.gz TYHQADWVURZGDI-SNVBAGLBSA-N 1 3 249.362 1.652 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN3CC[C@@H]3C1)C2 ZINC001169161976 969478664 /nfs/dbraw/zinc/47/86/64/969478664.db2.gz QZNBGRHYBZGGGW-XJFOESAGSA-N 1 3 235.375 1.002 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN3CC[C@@H]3C1)C2 ZINC001169161976 969478670 /nfs/dbraw/zinc/47/86/70/969478670.db2.gz QZNBGRHYBZGGGW-XJFOESAGSA-N 1 3 235.375 1.002 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3CC[C@H]3C1)C2 ZINC001169161974 969480567 /nfs/dbraw/zinc/48/05/67/969480567.db2.gz QZNBGRHYBZGGGW-RFQIPJPRSA-N 1 3 235.375 1.002 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3CC[C@H]3C1)C2 ZINC001169161974 969480571 /nfs/dbraw/zinc/48/05/71/969480571.db2.gz QZNBGRHYBZGGGW-RFQIPJPRSA-N 1 3 235.375 1.002 20 0 BDADHO C[C@H]1CN(Cc2c[nH+]ccc2N)CCCO1 ZINC001209727056 969579344 /nfs/dbraw/zinc/57/93/44/969579344.db2.gz IYYDZAJVGKTHKT-JTQLQIEISA-N 1 3 221.304 1.105 20 0 BDADHO CC[N@H+](CCn1ccnc1)Cc1cnccc1N ZINC001209731924 969594203 /nfs/dbraw/zinc/59/42/03/969594203.db2.gz FMBNJKISWNQNRO-UHFFFAOYSA-N 1 3 245.330 1.213 20 0 BDADHO CC[N@@H+](CCn1ccnc1)Cc1cnccc1N ZINC001209731924 969594208 /nfs/dbraw/zinc/59/42/08/969594208.db2.gz FMBNJKISWNQNRO-UHFFFAOYSA-N 1 3 245.330 1.213 20 0 BDADHO Nc1ccncc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001209731599 969595573 /nfs/dbraw/zinc/59/55/73/969595573.db2.gz ULGMBGQIPAVSMX-VIFPVBQESA-N 1 3 241.285 1.971 20 0 BDADHO Nc1ccncc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001209731599 969595578 /nfs/dbraw/zinc/59/55/78/969595578.db2.gz ULGMBGQIPAVSMX-VIFPVBQESA-N 1 3 241.285 1.971 20 0 BDADHO CN1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)CC1 ZINC001254507169 969674514 /nfs/dbraw/zinc/67/45/14/969674514.db2.gz IIWKDABGFXOWSU-GFCCVEGCSA-N 1 3 237.322 1.795 20 0 BDADHO CN1CCC[C@@H]([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001254511519 969678230 /nfs/dbraw/zinc/67/82/30/969678230.db2.gz BKKYRXVMZKGOHF-WOPDTQHZSA-N 1 3 230.327 1.187 20 0 BDADHO C[N@@H+]1CCC[C@H](n2ncc3c2CCNC3)CC1 ZINC001254518976 969697479 /nfs/dbraw/zinc/69/74/79/969697479.db2.gz FVRYOKFKZYSHKV-LBPRGKRZSA-N 1 3 234.347 1.186 20 0 BDADHO C[N@H+]1CCC[C@H](n2ncc3c2CCNC3)CC1 ZINC001254518976 969697487 /nfs/dbraw/zinc/69/74/87/969697487.db2.gz FVRYOKFKZYSHKV-LBPRGKRZSA-N 1 3 234.347 1.186 20 0 BDADHO NCc1ccc(N[C@@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254846197 969803496 /nfs/dbraw/zinc/80/34/96/969803496.db2.gz RWDTXEQPRLTTTQ-CQSZACIVSA-N 1 3 246.358 1.437 20 0 BDADHO C[NH+](C)CCC(C)(C)Nc1ccnc(CN)c1 ZINC001169718385 969832307 /nfs/dbraw/zinc/83/23/07/969832307.db2.gz LYCZPWNPRKTWTB-UHFFFAOYSA-N 1 3 236.363 1.683 20 0 BDADHO CC(C)[N@H+](CCCN)[C@H]1CCSC1 ZINC001255268467 970015637 /nfs/dbraw/zinc/01/56/37/970015637.db2.gz KJXUJPRSRUPLNK-JTQLQIEISA-N 1 3 202.367 1.551 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@H]1CCSC1 ZINC001255268467 970015648 /nfs/dbraw/zinc/01/56/48/970015648.db2.gz KJXUJPRSRUPLNK-JTQLQIEISA-N 1 3 202.367 1.551 20 0 BDADHO C[NH2+]CCNc1nc(C)cc2[nH]ccc21 ZINC001156893729 970024421 /nfs/dbraw/zinc/02/44/21/970024421.db2.gz RAOGTPIOZYRBQA-UHFFFAOYSA-N 1 3 204.277 1.503 20 0 BDADHO CCCCCN1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255437259 970164159 /nfs/dbraw/zinc/16/41/59/970164159.db2.gz ZLQDBLVEHBZZNP-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCCCCN1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255437259 970164168 /nfs/dbraw/zinc/16/41/68/970164168.db2.gz ZLQDBLVEHBZZNP-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CN1CC[C@]2(CC[N@@H+]([C@H]3CCCN(C)C3)C2)C1 ZINC001255492624 970255497 /nfs/dbraw/zinc/25/54/97/970255497.db2.gz IYUAJWMTJZESDD-KBPBESRZSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@]2(CC[N@H+]([C@H]3CCCN(C)C3)C2)C1 ZINC001255492624 970255508 /nfs/dbraw/zinc/25/55/08/970255508.db2.gz IYUAJWMTJZESDD-KBPBESRZSA-N 1 3 237.391 1.108 20 0 BDADHO COC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001255582673 970390437 /nfs/dbraw/zinc/39/04/37/970390437.db2.gz XFQUNXTYKKYCPU-NSHDSACASA-N 1 3 212.337 1.049 20 0 BDADHO CN1CC[NH+](C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255674406 970452182 /nfs/dbraw/zinc/45/21/82/970452182.db2.gz SIIUCMHNGYLTJW-PBWFPOADSA-N 1 3 237.391 1.249 20 0 BDADHO Cc1nccc(CN(C)CC2CC[NH+](C)CC2)n1 ZINC000351400092 970547045 /nfs/dbraw/zinc/54/70/45/970547045.db2.gz RHFHREAPUHOAFG-UHFFFAOYSA-N 1 3 248.374 1.559 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)n1cnc(CN)c1 ZINC001255941230 970563745 /nfs/dbraw/zinc/56/37/45/970563745.db2.gz LUPMBKLCXMIVEQ-LLVKDONJSA-N 1 3 224.352 1.635 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC1CC(O)C1 ZINC001255941582 970569913 /nfs/dbraw/zinc/56/99/13/970569913.db2.gz UJECYKACHROAJI-UNXYVOJBSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@H](CO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255939173 970572886 /nfs/dbraw/zinc/57/28/86/970572886.db2.gz CTCUPHYNNVVIJQ-NWDGAFQWSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@H](CO)N[C@@H](C)CC[NH+](CC)CC ZINC001255939173 970572901 /nfs/dbraw/zinc/57/29/01/970572901.db2.gz CTCUPHYNNVVIJQ-NWDGAFQWSA-N 1 3 216.369 1.467 20 0 BDADHO CN1CCC[N@@H+](C2CCN(C3CC3)CC2)CC1 ZINC001256073825 970639259 /nfs/dbraw/zinc/63/92/59/970639259.db2.gz ZWGYYMMPZZZCPG-UHFFFAOYSA-N 1 3 237.391 1.251 20 0 BDADHO CN1CCC[N@H+](C2CCN(C3CC3)CC2)CC1 ZINC001256073825 970639265 /nfs/dbraw/zinc/63/92/65/970639265.db2.gz ZWGYYMMPZZZCPG-UHFFFAOYSA-N 1 3 237.391 1.251 20 0 BDADHO CN1CCC([N@@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC001256207451 970709102 /nfs/dbraw/zinc/70/91/02/970709102.db2.gz KJYAIUXUFLZVON-AWEZNQCLSA-N 1 3 237.391 1.251 20 0 BDADHO CN1CCC([N@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC001256207451 970709112 /nfs/dbraw/zinc/70/91/12/970709112.db2.gz KJYAIUXUFLZVON-AWEZNQCLSA-N 1 3 237.391 1.251 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000401867995 970742134 /nfs/dbraw/zinc/74/21/34/970742134.db2.gz AEFOSSZTUWHUGF-AGIUHOORSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000401867995 970742144 /nfs/dbraw/zinc/74/21/44/970742144.db2.gz AEFOSSZTUWHUGF-AGIUHOORSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401867995 970742150 /nfs/dbraw/zinc/74/21/50/970742150.db2.gz AEFOSSZTUWHUGF-AGIUHOORSA-N 1 3 226.364 1.484 20 0 BDADHO [NH3+]CC1(F)CC[NH+](Cc2ccncc2[O-])CC1 ZINC001222538902 972552629 /nfs/dbraw/zinc/55/26/29/972552629.db2.gz QQDQRZUIJDQUEL-UHFFFAOYSA-N 1 3 239.294 1.050 20 0 BDADHO C[C@H](Cc1ccccn1)N1CCC[C@H]([NH3+])CC1 ZINC001246540334 972557292 /nfs/dbraw/zinc/55/72/92/972557292.db2.gz GITUMLLBQLFWBR-OLZOCXBDSA-N 1 3 233.359 1.826 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CCN1 ZINC001246552785 972739666 /nfs/dbraw/zinc/73/96/66/972739666.db2.gz VEVBGGIMLQNCJZ-SYQHCUMBSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CCN1 ZINC001246552785 972739677 /nfs/dbraw/zinc/73/96/77/972739677.db2.gz VEVBGGIMLQNCJZ-SYQHCUMBSA-N 1 3 240.391 1.610 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H](COC)C(C)C ZINC001327840657 972753281 /nfs/dbraw/zinc/75/32/81/972753281.db2.gz RGDGBMPVSNYLKY-MNOVXSKESA-N 1 3 202.342 1.245 20 0 BDADHO C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C[C@]1(C)O ZINC001246566047 972805920 /nfs/dbraw/zinc/80/59/20/972805920.db2.gz RJPDQIQJFHSFCG-XQHKEYJVSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C[C@]1(C)O ZINC001246566047 972805928 /nfs/dbraw/zinc/80/59/28/972805928.db2.gz RJPDQIQJFHSFCG-XQHKEYJVSA-N 1 3 226.364 1.220 20 0 BDADHO CSC(C)(C)C[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585732 972963958 /nfs/dbraw/zinc/96/39/58/972963958.db2.gz QFNCUKLFWVLWIJ-DCAQKATOSA-N 1 3 246.420 1.158 20 0 BDADHO CSC(C)(C)C[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585732 972963972 /nfs/dbraw/zinc/96/39/72/972963972.db2.gz QFNCUKLFWVLWIJ-DCAQKATOSA-N 1 3 246.420 1.158 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)CCN1 ZINC001246591698 972996411 /nfs/dbraw/zinc/99/64/11/972996411.db2.gz NNZMVYXBJYZYJS-REWJHTLYSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)CCN1 ZINC001246591698 972996431 /nfs/dbraw/zinc/99/64/31/972996431.db2.gz NNZMVYXBJYZYJS-REWJHTLYSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H]1C[N@@H+](C2CCNCC2)CCC[C@@]1(C)O ZINC001246590318 972998909 /nfs/dbraw/zinc/99/89/09/972998909.db2.gz JCRLEPLEGDCBOX-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1C[N@H+](C2CCNCC2)CCC[C@@]1(C)O ZINC001246590318 972998918 /nfs/dbraw/zinc/99/89/18/972998918.db2.gz JCRLEPLEGDCBOX-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806238 973113064 /nfs/dbraw/zinc/11/30/64/973113064.db2.gz HDVMBYIRCBFAOE-OUAUKWLOSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)CCN1 ZINC001246806238 973113083 /nfs/dbraw/zinc/11/30/83/973113083.db2.gz HDVMBYIRCBFAOE-OUAUKWLOSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC3(F)F)C2)CCN1 ZINC001246806238 973113092 /nfs/dbraw/zinc/11/30/92/973113092.db2.gz HDVMBYIRCBFAOE-OUAUKWLOSA-N 1 3 230.302 1.858 20 0 BDADHO Cc1nc2c(n1[C@H]1CC[C@@H](C)[NH2+]C1)CNCC2 ZINC001246859529 973165432 /nfs/dbraw/zinc/16/54/32/973165432.db2.gz GABYITICOHNROF-KOLCDFICSA-N 1 3 234.347 1.150 20 0 BDADHO COc1ccnc(NCC[C@H]2CCC[NH2+]2)c1 ZINC000257647498 974090072 /nfs/dbraw/zinc/09/00/72/974090072.db2.gz IZYSIVBDFHESMB-SNVBAGLBSA-N 1 3 221.304 1.644 20 0 BDADHO CC(C)(C[NH3+])N[C@H]1Cc2cccc(F)c2C1 ZINC001171773809 974159264 /nfs/dbraw/zinc/15/92/64/974159264.db2.gz PDQGLXIMLYPVMA-JTQLQIEISA-N 1 3 222.307 1.620 20 0 BDADHO [NH3+]C1CC(N[C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171783355 974169265 /nfs/dbraw/zinc/16/92/65/974169265.db2.gz PGUPAORHACQCJN-HSOILSAZSA-N 1 3 220.291 1.372 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1Cc2cccc(F)c2C1 ZINC001171783039 974171785 /nfs/dbraw/zinc/17/17/85/974171785.db2.gz IRWZGSMIHVUEMT-MWLCHTKSSA-N 1 3 222.307 1.477 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783039 974171793 /nfs/dbraw/zinc/17/17/93/974171793.db2.gz IRWZGSMIHVUEMT-MWLCHTKSSA-N 1 3 222.307 1.477 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(CN)n1)C2 ZINC001172103683 974366100 /nfs/dbraw/zinc/36/61/00/974366100.db2.gz WUAYQIMGDBPNJL-CLLJXQQHSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1ccc(CN)n1)C2 ZINC001172103683 974366110 /nfs/dbraw/zinc/36/61/10/974366110.db2.gz WUAYQIMGDBPNJL-CLLJXQQHSA-N 1 3 234.347 1.530 20 0 BDADHO CN([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123968 974391471 /nfs/dbraw/zinc/39/14/71/974391471.db2.gz ICPZAIXQDJWIEH-CRWXNKLISA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123968 974391480 /nfs/dbraw/zinc/39/14/80/974391480.db2.gz ICPZAIXQDJWIEH-CRWXNKLISA-N 1 3 238.375 1.722 20 0 BDADHO CC(C)COCC[C@H](C)N1CCC[C@H]1C[NH3+] ZINC001172462613 974829014 /nfs/dbraw/zinc/82/90/14/974829014.db2.gz TXBVFHLPVSMXBP-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC(N)C2)CC1 ZINC001172778092 974939650 /nfs/dbraw/zinc/93/96/50/974939650.db2.gz STWWPJPVHXQLQY-QTAHKJALSA-N 1 3 240.347 1.188 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)CC1 ZINC001172802956 974956436 /nfs/dbraw/zinc/95/64/36/974956436.db2.gz ZHSSUKQEYQEBAF-IJLUTSLNSA-N 1 3 242.363 1.293 20 0 BDADHO CC[N@@H+]1CC[C@@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC001173375250 975363093 /nfs/dbraw/zinc/36/30/93/975363093.db2.gz SBGWHYAAAZAXLF-UONOGXRCSA-N 1 3 239.407 1.495 20 0 BDADHO CC[N@H+]1CC[C@@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC001173375250 975363103 /nfs/dbraw/zinc/36/31/03/975363103.db2.gz SBGWHYAAAZAXLF-UONOGXRCSA-N 1 3 239.407 1.495 20 0 BDADHO CC1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391651 976488721 /nfs/dbraw/zinc/48/87/21/976488721.db2.gz WZKLARCMLBETRZ-MNOVXSKESA-N 1 3 242.363 1.245 20 0 BDADHO C[C@H](O)[C@H](C)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001335469550 977081535 /nfs/dbraw/zinc/08/15/35/977081535.db2.gz NBWHKZQTIOLUBF-NAKRPEOUSA-N 1 3 214.353 1.074 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCc3cccc(F)c3C2)C1 ZINC001336285864 977615584 /nfs/dbraw/zinc/61/55/84/977615584.db2.gz NGVWEIAHAIWGJZ-KLPPZKSPSA-N 1 3 234.318 1.921 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCc2ccc(F)cc2F)C1 ZINC001336326893 977631759 /nfs/dbraw/zinc/63/17/59/977631759.db2.gz YQSMLHXLIQHBDT-XYPYZODXSA-N 1 3 226.270 1.587 20 0 BDADHO CNc1ccccc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001232672775 978229152 /nfs/dbraw/zinc/22/91/52/978229152.db2.gz KDOOFDMUELWZII-OKILXGFUSA-N 1 3 245.370 1.722 20 0 BDADHO CNc1ccccc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001232672775 978229160 /nfs/dbraw/zinc/22/91/60/978229160.db2.gz KDOOFDMUELWZII-OKILXGFUSA-N 1 3 245.370 1.722 20 0 BDADHO Cn1ccc(CN2CCC[C@](C)(C[NH3+])CC2)n1 ZINC001206304718 978374216 /nfs/dbraw/zinc/37/42/16/978374216.db2.gz ONTIVAZPQGLWHX-ZDUSSCGKSA-N 1 3 236.363 1.371 20 0 BDADHO CC[C@@H](CNc1ccncc1)[NH+]1CCCC1 ZINC001337726390 978473780 /nfs/dbraw/zinc/47/37/80/978473780.db2.gz HRDLMGZBEVPVSX-ZDUSSCGKSA-N 1 3 219.332 1.790 20 0 BDADHO CC[N@H+](CCNc1ccnc(CO)c1)C1CC1 ZINC001337837470 978520422 /nfs/dbraw/zinc/52/04/22/978520422.db2.gz QUPHHBXLLQKIRY-UHFFFAOYSA-N 1 3 235.331 1.470 20 0 BDADHO CC[N@@H+](CCNc1ccnc(CO)c1)C1CC1 ZINC001337837470 978520433 /nfs/dbraw/zinc/52/04/33/978520433.db2.gz QUPHHBXLLQKIRY-UHFFFAOYSA-N 1 3 235.331 1.470 20 0 BDADHO Cn1cccc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001203260337 978836305 /nfs/dbraw/zinc/83/63/05/978836305.db2.gz SOPLKIMUQHDXLJ-OLZOCXBDSA-N 1 3 233.359 1.409 20 0 BDADHO Cn1cccc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001203260337 978836307 /nfs/dbraw/zinc/83/63/07/978836307.db2.gz SOPLKIMUQHDXLJ-OLZOCXBDSA-N 1 3 233.359 1.409 20 0 BDADHO C[C@@H](N)C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221808 978998677 /nfs/dbraw/zinc/99/86/77/978998677.db2.gz FGGWXOSBIFEKHG-HLTSFMKQSA-N 1 3 204.264 1.311 20 0 BDADHO C[C@@H](N)C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221808 978998681 /nfs/dbraw/zinc/99/86/81/978998681.db2.gz FGGWXOSBIFEKHG-HLTSFMKQSA-N 1 3 204.264 1.311 20 0 BDADHO Cc1ccc2c(n1)N(C)CCN(CCCC[NH3+])C2 ZINC001235546720 979083268 /nfs/dbraw/zinc/08/32/68/979083268.db2.gz KZCFWWOVHLETGL-UHFFFAOYSA-N 1 3 248.374 1.381 20 0 BDADHO CN(CC1CCC1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235725119 979136219 /nfs/dbraw/zinc/13/62/19/979136219.db2.gz HAGDKXHIDBRLDQ-NSHDSACASA-N 1 3 212.337 1.443 20 0 BDADHO [NH3+][C@]12CC[C@H]1CN(CCC1CCCC1)C2 ZINC001235980942 979240170 /nfs/dbraw/zinc/24/01/70/979240170.db2.gz SKCRGWXIKKIMHC-STQMWFEESA-N 1 3 208.349 1.990 20 0 BDADHO [NH3+][C@]12C[C@H]1CN(C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001236014167 979304577 /nfs/dbraw/zinc/30/45/77/979304577.db2.gz GJJMDJYARLCQHO-PPCPHDFISA-N 1 3 204.317 1.232 20 0 BDADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CCCCCO)C2 ZINC001236152971 979414621 /nfs/dbraw/zinc/41/46/21/979414621.db2.gz GFPPSXMOYPROMD-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO [NH3+][C@@H]1CCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001236174854 979436325 /nfs/dbraw/zinc/43/63/25/979436325.db2.gz ZZTWYRNYRXFHDR-SNVBAGLBSA-N 1 3 216.288 1.096 20 0 BDADHO [NH3+][C@@H]1CCN(Cc2cc3cnccc3[nH]2)C1 ZINC001236174854 979436334 /nfs/dbraw/zinc/43/63/34/979436334.db2.gz ZZTWYRNYRXFHDR-SNVBAGLBSA-N 1 3 216.288 1.096 20 0 BDADHO NC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCN2 ZINC001236251682 979471507 /nfs/dbraw/zinc/47/15/07/979471507.db2.gz XPQJBTZSKGWTMZ-CYBMUJFWSA-N 1 3 231.343 1.578 20 0 BDADHO NC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCN2 ZINC001236251682 979471511 /nfs/dbraw/zinc/47/15/11/979471511.db2.gz XPQJBTZSKGWTMZ-CYBMUJFWSA-N 1 3 231.343 1.578 20 0 BDADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCC(C)(C)[NH3+] ZINC001341763630 979547032 /nfs/dbraw/zinc/54/70/32/979547032.db2.gz FYMKVHFTKRTYMZ-GARJFASQSA-N 1 3 241.379 1.101 20 0 BDADHO CCOC(=O)CC[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001206541754 979636372 /nfs/dbraw/zinc/63/63/72/979636372.db2.gz JPCOMEYEVUXZGQ-CYBMUJFWSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CC[N@H+]1CCCC[C@](C)(CN)C1 ZINC001206541754 979636376 /nfs/dbraw/zinc/63/63/76/979636376.db2.gz JPCOMEYEVUXZGQ-CYBMUJFWSA-N 1 3 242.363 1.391 20 0 BDADHO Cc1ncc(Nc2cc[nH+]c(N)c2)n1C ZINC001206542801 979661947 /nfs/dbraw/zinc/66/19/47/979661947.db2.gz KAEOEYDQQHMDFD-UHFFFAOYSA-N 1 3 203.249 1.449 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1CNC2 ZINC001344590162 980440752 /nfs/dbraw/zinc/44/07/52/980440752.db2.gz JXXUZCRZTDENTJ-MWLCHTKSSA-N 1 3 245.326 1.226 20 0 BDADHO Cc1cccc([C@@H](O)CNC[C@@H]2CC[N@@H+](C)C2)c1 ZINC001346192558 980779785 /nfs/dbraw/zinc/77/97/85/980779785.db2.gz WCOQLLBKGXNOIA-ZFWWWQNUSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1cccc([C@@H](O)CNC[C@@H]2CC[N@H+](C)C2)c1 ZINC001346192558 980779790 /nfs/dbraw/zinc/77/97/90/980779790.db2.gz WCOQLLBKGXNOIA-ZFWWWQNUSA-N 1 3 248.370 1.570 20 0 BDADHO CN(C)Cc1cncc(-c2cncc(C[NH3+])c2)c1 ZINC001239803781 980940005 /nfs/dbraw/zinc/94/00/05/980940005.db2.gz HRNQVHYGFDAADZ-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2cccnn2)CC1 ZINC001205558060 980988834 /nfs/dbraw/zinc/98/88/34/980988834.db2.gz BFRKQIWDEOPEEB-LBPRGKRZSA-N 1 3 238.310 1.130 20 0 BDADHO OC1(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001580877666 981661687 /nfs/dbraw/zinc/66/16/87/981661687.db2.gz DAVGAYMLNVRESM-GFCCVEGCSA-N 1 3 238.375 1.223 20 0 BDADHO c1cc(CCCNC[C@]23C[C@H]2C[NH2+]C3)cs1 ZINC001580887818 981718430 /nfs/dbraw/zinc/71/84/30/981718430.db2.gz JOCHJEHZGAETGV-STQMWFEESA-N 1 3 236.384 1.880 20 0 BDADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)C1CCCCC1 ZINC001350408486 981967722 /nfs/dbraw/zinc/96/77/22/981967722.db2.gz BMWRLKRCTYWVNV-NSHDSACASA-N 1 3 241.379 1.090 20 0 BDADHO CN1CC=C(c2cnc3c(c2)C[NH2+]CC3)CC1 ZINC001241323102 982484759 /nfs/dbraw/zinc/48/47/59/982484759.db2.gz YTAKTRRBYIHOBV-UHFFFAOYSA-N 1 3 229.327 1.446 20 0 BDADHO CCN(C)[C@@H]1CC[N@H+](CCn2ccnc2C)C1 ZINC001198880771 982873180 /nfs/dbraw/zinc/87/31/80/982873180.db2.gz AWNWLERPAGUIJF-CYBMUJFWSA-N 1 3 236.363 1.218 20 0 BDADHO CCN(C)[C@@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC001198880771 982873181 /nfs/dbraw/zinc/87/31/81/982873181.db2.gz AWNWLERPAGUIJF-CYBMUJFWSA-N 1 3 236.363 1.218 20 0 BDADHO CC[NH+]1C[C@H]2CN(CCCSC)C[C@@H]2C1 ZINC001201698022 983411645 /nfs/dbraw/zinc/41/16/45/983411645.db2.gz VBFKJMHPTIRFDV-RYUDHWBXSA-N 1 3 228.405 1.623 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457356 983718967 /nfs/dbraw/zinc/71/89/67/983718967.db2.gz IBBOCEZJWVVHBS-MNOVXSKESA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@@H](N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001357990415 983810665 /nfs/dbraw/zinc/81/06/65/983810665.db2.gz IWRRQTPOJBJRPF-ZYHUDNBSSA-N 1 3 247.342 1.203 20 0 BDADHO C[C@H](NC1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059649 983822109 /nfs/dbraw/zinc/82/21/09/983822109.db2.gz LWFUCTLRFHLYOX-VIFPVBQESA-N 1 3 245.326 1.369 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@@H+]1CC[C@](C)(CF)C1 ZINC001253180989 984013147 /nfs/dbraw/zinc/01/31/47/984013147.db2.gz NHRODVXYKGCABD-CHWSQXEVSA-N 1 3 246.370 1.371 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@H+]1CC[C@](C)(CF)C1 ZINC001253180989 984013161 /nfs/dbraw/zinc/01/31/61/984013161.db2.gz NHRODVXYKGCABD-CHWSQXEVSA-N 1 3 246.370 1.371 20 0 BDADHO CC(C)OC(=O)C[C@@H](NC[C@H](C)[NH3+])C(C)C ZINC001576158759 984160246 /nfs/dbraw/zinc/16/02/46/984160246.db2.gz JHXPVYVVUDVUAL-WDEREUQCSA-N 1 3 230.352 1.290 20 0 BDADHO C[C@@]1(CN[C@@H]2C[C@H]3CC[C@@H]2O3)CCC[NH2+]C1 ZINC001576526101 984173856 /nfs/dbraw/zinc/17/38/56/984173856.db2.gz NIHCOBIVIHUMCL-FVCCEPFGSA-N 1 3 224.348 1.286 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@H](CO)CC(F)F ZINC001577052087 984187598 /nfs/dbraw/zinc/18/75/98/984187598.db2.gz IAGSEWOLMIXZOV-VIFPVBQESA-N 1 3 238.322 1.357 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC001578160934 984206474 /nfs/dbraw/zinc/20/64/74/984206474.db2.gz FNANBYCACSMNCR-NAKRPEOUSA-N 1 3 212.337 1.269 20 0 BDADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](N)C2)[C@H]1C ZINC001578803599 984227637 /nfs/dbraw/zinc/22/76/37/984227637.db2.gz UMECZCCYLKXHRI-UHFZAUJKSA-N 1 3 240.347 1.044 20 0 BDADHO COCC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N)C1 ZINC001579005309 984250617 /nfs/dbraw/zinc/25/06/17/984250617.db2.gz JZBMIJJNDAAPOU-ZIAGYGMSSA-N 1 3 234.343 1.797 20 0 BDADHO COCC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N)C1 ZINC001579005309 984250625 /nfs/dbraw/zinc/25/06/25/984250625.db2.gz JZBMIJJNDAAPOU-ZIAGYGMSSA-N 1 3 234.343 1.797 20 0 BDADHO CCCC[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001275039639 984447699 /nfs/dbraw/zinc/44/76/99/984447699.db2.gz VRDGDDTUPBUXES-GFCCVEGCSA-N 1 3 243.395 1.221 20 0 BDADHO CN(C)Cc1ccnc(C2=CC[NH2+]C2)c1 ZINC001243108833 984563191 /nfs/dbraw/zinc/56/31/91/984563191.db2.gz GPWYPLLIVLMVND-UHFFFAOYSA-N 1 3 203.289 1.130 20 0 BDADHO CCOC(=O)[C@@H](C)[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001577908374 984818902 /nfs/dbraw/zinc/81/89/02/984818902.db2.gz HIROBLYPYLJCFO-KXNHARMFSA-N 1 3 242.363 1.019 20 0 BDADHO CCO[C@H](CN[C@@H](C[NH3+])C1CC1)C1CC1 ZINC001578075189 984839451 /nfs/dbraw/zinc/83/94/51/984839451.db2.gz GNFCSOHAPFGVOR-NWDGAFQWSA-N 1 3 212.337 1.128 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093280 984845349 /nfs/dbraw/zinc/84/53/49/984845349.db2.gz GORUZEDORXTPCM-WHOHXGKFSA-N 1 3 224.348 1.413 20 0 BDADHO CCO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](N)C2)C1 ZINC001578097678 984847691 /nfs/dbraw/zinc/84/76/91/984847691.db2.gz HHISLBIBJALRRL-BJDJZHNGSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](N)C2)C1 ZINC001578097679 984848690 /nfs/dbraw/zinc/84/86/90/984848690.db2.gz HHISLBIBJALRRL-DDHJBXDOSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1OC ZINC001578148618 984854075 /nfs/dbraw/zinc/85/40/75/984854075.db2.gz DMQFLCLGLOIWNP-OBPIAQAESA-N 1 3 242.363 1.038 20 0 BDADHO CCn1cnc(Cl)c1CNC[C@H]1C[C@H]([NH3+])C1 ZINC001578357164 985000733 /nfs/dbraw/zinc/00/07/33/985000733.db2.gz NZWVYFFQWNPLOR-KYZUINATSA-N 1 3 242.754 1.383 20 0 BDADHO CO[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)CC1 ZINC000691985183 985108367 /nfs/dbraw/zinc/10/83/67/985108367.db2.gz JYAIXOYTKROGDR-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)CC1 ZINC000691985183 985108377 /nfs/dbraw/zinc/10/83/77/985108377.db2.gz JYAIXOYTKROGDR-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001578528491 985151829 /nfs/dbraw/zinc/15/18/29/985151829.db2.gz IBFZXSBRAMSIMY-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO CN1CCCC[C@@H]1C[NH2+]C[C@@H](N)CC(F)F ZINC001578528540 985154003 /nfs/dbraw/zinc/15/40/03/985154003.db2.gz IWDXJHKFAUDOIX-VHSXEESVSA-N 1 3 235.322 1.043 20 0 BDADHO C[NH2+]C[C@H](O)CN(C)C[C@H]1CCCC[C@H]1C ZINC001578652176 985260017 /nfs/dbraw/zinc/26/00/17/985260017.db2.gz FWYVCEYMVVEWSW-UPJWGTAASA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@H](O)C(C)C)C1 ZINC001578656433 985269586 /nfs/dbraw/zinc/26/95/86/985269586.db2.gz IWBYACLFZIWTDK-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@@H]1CCCSC1)CC2 ZINC001257681648 985270703 /nfs/dbraw/zinc/27/07/03/985270703.db2.gz RZKBFLTWGUYEFD-GFCCVEGCSA-N 1 3 240.416 1.910 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@]2(C)CCCCO2)C1 ZINC001578657301 985275442 /nfs/dbraw/zinc/27/54/42/985275442.db2.gz UVANSRMGNNFYOJ-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO COC(=O)C1(CN(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC001578781342 985348327 /nfs/dbraw/zinc/34/83/27/985348327.db2.gz OFHBKLGPBPAZIL-NSHDSACASA-N 1 3 242.363 1.245 20 0 BDADHO C[C@H]1COC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000687974832 985432679 /nfs/dbraw/zinc/43/26/79/985432679.db2.gz RVJIPPXUJMUGNU-QWRGUYRKSA-N 1 3 214.353 1.199 20 0 BDADHO CO[C@@H](CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC001578908961 985502078 /nfs/dbraw/zinc/50/20/78/985502078.db2.gz NKKSODFEHGIKQN-RDBSUJKOSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000688053430 985544939 /nfs/dbraw/zinc/54/49/39/985544939.db2.gz NUJGDQGUDAVCPG-NDBYEHHHSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000688053430 985544956 /nfs/dbraw/zinc/54/49/56/985544956.db2.gz NUJGDQGUDAVCPG-NDBYEHHHSA-N 1 3 224.348 1.238 20 0 BDADHO COCC[C@@H]([NH3+])CNC[C@H](OC)C(C)(C)C ZINC001579000929 985641078 /nfs/dbraw/zinc/64/10/78/985641078.db2.gz DABPMWHNAMXBCK-MNOVXSKESA-N 1 3 232.368 1.001 20 0 BDADHO COCC[C@@H]([NH3+])CNC[C@H](C)c1ccccn1 ZINC001579003060 985661114 /nfs/dbraw/zinc/66/11/14/985661114.db2.gz XISIKYNTZVQJFC-NWDGAFQWSA-N 1 3 237.347 1.139 20 0 BDADHO COc1cc(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)ccn1 ZINC001579148464 985814780 /nfs/dbraw/zinc/81/47/80/985814780.db2.gz BYSBCCNZOTZFGC-NEPJUHHUSA-N 1 3 249.358 1.348 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001579476828 985991819 /nfs/dbraw/zinc/99/18/19/985991819.db2.gz IVUGQOMSDVSMCM-GMTAPVOTSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@H]1[C@@H](O)CCCN1C[C@@H]1CCCC[NH2+]C1 ZINC001579506159 986050904 /nfs/dbraw/zinc/05/09/04/986050904.db2.gz CVYBCHVAHNSZCQ-XQQFMLRXSA-N 1 3 226.364 1.221 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2C[C@H]2[NH3+])c1 ZINC001579593067 986102013 /nfs/dbraw/zinc/10/20/13/986102013.db2.gz UKZHVFJVXLHWMO-QWHCGFSZSA-N 1 3 247.342 1.342 20 0 BDADHO Cc1ccc(C[C@H](C)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC001579684593 986178303 /nfs/dbraw/zinc/17/83/03/986178303.db2.gz MERFMGHSVMDQDU-NWANDNLSSA-N 1 3 248.370 1.096 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOCC3)[C@H]2C1 ZINC001462668176 986492918 /nfs/dbraw/zinc/49/29/18/986492918.db2.gz MUBYTEQIIJKMDY-XUXIUFHCSA-N 1 3 238.375 1.485 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]2C1 ZINC001462664477 986497661 /nfs/dbraw/zinc/49/76/61/986497661.db2.gz GZEKPKDCDZDXNE-RNJOBUHISA-N 1 3 224.348 1.095 20 0 BDADHO [NH3+][C@@H](CN[C@@H](CO)CC1CCC1)CC(F)F ZINC001580133013 986602405 /nfs/dbraw/zinc/60/24/05/986602405.db2.gz SRXBCDUUERUEJS-NXEZZACHSA-N 1 3 236.306 1.110 20 0 BDADHO [NH3+]C1(CCN2CC(C3CC3)C2)CCOCC1 ZINC001580143969 986615405 /nfs/dbraw/zinc/61/54/05/986615405.db2.gz IFRMYFKHROKSED-UHFFFAOYSA-N 1 3 224.348 1.226 20 0 BDADHO NCC1(C[NH2+][C@H](CCO)C2CCCC2)CCC1 ZINC001580244119 986695426 /nfs/dbraw/zinc/69/54/26/986695426.db2.gz PQZYQLPSOASDTA-CYBMUJFWSA-N 1 3 240.391 1.646 20 0 BDADHO NC[C@@]12C[N@H+](C[C@H](O)C3CC3)C[C@@H]1CCCC2 ZINC001580256017 986712771 /nfs/dbraw/zinc/71/27/71/986712771.db2.gz PFMIULJBGMVPTH-IHRRRGAJSA-N 1 3 238.375 1.208 20 0 BDADHO NC[C@@]12C[N@@H+](C[C@H](O)C3CC3)C[C@@H]1CCCC2 ZINC001580256017 986712781 /nfs/dbraw/zinc/71/27/81/986712781.db2.gz PFMIULJBGMVPTH-IHRRRGAJSA-N 1 3 238.375 1.208 20 0 BDADHO [NH3+]CCCN1CCC[C@H]1COc1ccccc1 ZINC001580298602 986735832 /nfs/dbraw/zinc/73/58/32/986735832.db2.gz OXPZTFZSUMSSAK-ZDUSSCGKSA-N 1 3 234.343 1.879 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC001580372009 986798779 /nfs/dbraw/zinc/79/87/79/986798779.db2.gz LRCOUOVITXHRPQ-GHMZBOCLSA-N 1 3 246.314 1.582 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CC(C)(N(C)C)C1 ZINC001255964422 987101745 /nfs/dbraw/zinc/10/17/45/987101745.db2.gz SBSGGEOIEZUADZ-CYBMUJFWSA-N 1 3 241.423 1.743 20 0 BDADHO CCCC[C@H](O)CNC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245971373 987245888 /nfs/dbraw/zinc/24/58/88/987245888.db2.gz GBVMNNLEIYINPA-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO CCCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@H]1C ZINC001245975966 987253663 /nfs/dbraw/zinc/25/36/63/987253663.db2.gz AKSBCWVRDLMQTI-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@H](O)c1ccccc1 ZINC001246001827 987285811 /nfs/dbraw/zinc/28/58/11/987285811.db2.gz ORTBZSQQSRXCPX-NEPJUHHUSA-N 1 3 208.305 1.047 20 0 BDADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC001246021124 987305182 /nfs/dbraw/zinc/30/51/82/987305182.db2.gz VIPNVLIBEFZNLE-HZSPNIEDSA-N 1 3 234.343 1.580 20 0 BDADHO CC1(C)[C@H]([NH2+]CCCF)[C@@H]2CCCN[C@@H]21 ZINC000693760790 987314976 /nfs/dbraw/zinc/31/49/76/987314976.db2.gz MKPCKRIZOGOSEO-OUAUKWLOSA-N 1 3 214.328 1.712 20 0 BDADHO CC1(C)[C@H](NCCCF)[C@@H]2CCC[NH2+][C@@H]21 ZINC000693760790 987314983 /nfs/dbraw/zinc/31/49/83/987314983.db2.gz MKPCKRIZOGOSEO-OUAUKWLOSA-N 1 3 214.328 1.712 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246027701 987324554 /nfs/dbraw/zinc/32/45/54/987324554.db2.gz YGXAODZFSLFGDB-CHWSQXEVSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001246027701 987324559 /nfs/dbraw/zinc/32/45/59/987324559.db2.gz YGXAODZFSLFGDB-CHWSQXEVSA-N 1 3 226.364 1.221 20 0 BDADHO CCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246045890 987342449 /nfs/dbraw/zinc/34/24/49/987342449.db2.gz LNULWJKFQLYCLQ-AVGNSLFASA-N 1 3 226.364 1.351 20 0 BDADHO CCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246045890 987342451 /nfs/dbraw/zinc/34/24/51/987342451.db2.gz LNULWJKFQLYCLQ-AVGNSLFASA-N 1 3 226.364 1.351 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862480 987367586 /nfs/dbraw/zinc/36/75/86/987367586.db2.gz MRUMHBDZVVHTKG-RVMXOQNASA-N 1 3 208.349 1.703 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862480 987367593 /nfs/dbraw/zinc/36/75/93/987367593.db2.gz MRUMHBDZVVHTKG-RVMXOQNASA-N 1 3 208.349 1.703 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000400770757 987368851 /nfs/dbraw/zinc/36/88/51/987368851.db2.gz CJSJUUCPSLOFAZ-RYUDHWBXSA-N 1 3 243.395 1.208 20 0 BDADHO CC[C@@H](C)OCC[C@H](C)[NH2+]C1CCNCC1 ZINC001246080270 987373414 /nfs/dbraw/zinc/37/34/14/987373414.db2.gz QMVSTDDDQYAZQG-NWDGAFQWSA-N 1 3 228.380 1.922 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246086502 987383848 /nfs/dbraw/zinc/38/38/48/987383848.db2.gz CODZTIGSSQLJFC-WCQYABFASA-N 1 3 248.374 1.425 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@H]1CCC[NH2+]C1 ZINC001246088495 987390235 /nfs/dbraw/zinc/39/02/35/987390235.db2.gz KCAUAWSUXVPINQ-LBPRGKRZSA-N 1 3 234.347 1.037 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246089400 987392565 /nfs/dbraw/zinc/39/25/65/987392565.db2.gz CUGLZIUCMOGRMQ-GRYCIOLGSA-N 1 3 242.363 1.306 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCNC[C@@H]1F ZINC001246090281 987394552 /nfs/dbraw/zinc/39/45/52/987394552.db2.gz DRJPCFJTWGECBJ-AGIUHOORSA-N 1 3 245.386 1.396 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001246098115 987415028 /nfs/dbraw/zinc/41/50/28/987415028.db2.gz JGEBHXFABRMSLA-GRYCIOLGSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@H]2CCCOC2)C1 ZINC001246099661 987420270 /nfs/dbraw/zinc/42/02/70/987420270.db2.gz MGMAEDHOTSTBQF-SRVKXCTJSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246102930 987430726 /nfs/dbraw/zinc/43/07/26/987430726.db2.gz UHCMVHZKZVOGRJ-DBIOUOCHSA-N 1 3 200.301 1.607 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1COC(C)(C)C1 ZINC001246115280 987453850 /nfs/dbraw/zinc/45/38/50/987453850.db2.gz YKKMTKGSUYJFAZ-QJPTWQEYSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]1CC(N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC001246119138 987464783 /nfs/dbraw/zinc/46/47/83/987464783.db2.gz CHYORXKJXVEOHM-DCAQKATOSA-N 1 3 212.337 1.284 20 0 BDADHO CCCC(CCC)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246146599 987503052 /nfs/dbraw/zinc/50/30/52/987503052.db2.gz GRSIGJUKFZWSEZ-IMRBUKKESA-N 1 3 240.391 1.779 20 0 BDADHO CCCCCC[C@@H](C)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149854 987508733 /nfs/dbraw/zinc/50/87/33/987508733.db2.gz VEPAZWVWQPZOER-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO COCC(C)(C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246179824 987549499 /nfs/dbraw/zinc/54/94/99/987549499.db2.gz RIKSOFJOSFLXNQ-ZACCUICWSA-N 1 3 212.337 1.284 20 0 BDADHO CCCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246208835 987603280 /nfs/dbraw/zinc/60/32/80/987603280.db2.gz FYNJZZXKAFTDGR-DAAZQVBGSA-N 1 3 226.364 1.410 20 0 BDADHO CO[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246217858 987616185 /nfs/dbraw/zinc/61/61/85/987616185.db2.gz KPEFKHOWUJOENB-PQENDOFNSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(=O)CC2)CCN1 ZINC001246229090 987626520 /nfs/dbraw/zinc/62/65/20/987626520.db2.gz KBAVBKPZJHGTET-KOLCDFICSA-N 1 3 210.321 1.228 20 0 BDADHO CCOC(CC[NH2+]C1CCNCC1)OCC ZINC001246231460 987628399 /nfs/dbraw/zinc/62/83/99/987628399.db2.gz MLWCTMHMEOTVEO-UHFFFAOYSA-N 1 3 230.352 1.117 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](O)CC2)CCN1 ZINC001246231234 987628781 /nfs/dbraw/zinc/62/87/81/987628781.db2.gz PBWNDLQJLXEMIG-FIQHERPVSA-N 1 3 212.337 1.020 20 0 BDADHO c1ccc(CCCCN[C@H]2CCC[NH2+]C2)nc1 ZINC001246237135 987635208 /nfs/dbraw/zinc/63/52/08/987635208.db2.gz GXGPOPRXKVCYHV-AWEZNQCLSA-N 1 3 233.359 1.746 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246310889 987710921 /nfs/dbraw/zinc/71/09/21/987710921.db2.gz OKVQYXWYCJDLFY-YFKTTZPYSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246310889 987710924 /nfs/dbraw/zinc/71/09/24/987710924.db2.gz OKVQYXWYCJDLFY-YFKTTZPYSA-N 1 3 240.347 1.058 20 0 BDADHO CC(=O)CC(C)(C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246329054 987735964 /nfs/dbraw/zinc/73/59/64/987735964.db2.gz NBBBENUCEBTESN-MWLCHTKSSA-N 1 3 212.337 1.474 20 0 BDADHO CC(=O)CC(C)(C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246329054 987735969 /nfs/dbraw/zinc/73/59/69/987735969.db2.gz NBBBENUCEBTESN-MWLCHTKSSA-N 1 3 212.337 1.474 20 0 BDADHO CC(=O)CC(C)(C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246329053 987736072 /nfs/dbraw/zinc/73/60/72/987736072.db2.gz NBBBENUCEBTESN-KOLCDFICSA-N 1 3 212.337 1.474 20 0 BDADHO CC(=O)CC(C)(C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246329053 987736075 /nfs/dbraw/zinc/73/60/75/987736075.db2.gz NBBBENUCEBTESN-KOLCDFICSA-N 1 3 212.337 1.474 20 0 BDADHO COC(CCC[NH2+][C@H]1CCN[C@@H](C)C1)OC ZINC001246342455 987752179 /nfs/dbraw/zinc/75/21/79/987752179.db2.gz OWPXGMDAPAEACE-QWRGUYRKSA-N 1 3 230.352 1.116 20 0 BDADHO c1ccc2c(c1)CC[C@@H](CNC1CC[NH2+]CC1)N2 ZINC001246344684 987752291 /nfs/dbraw/zinc/75/22/91/987752291.db2.gz CKFJTVHBPSBVDB-AWEZNQCLSA-N 1 3 245.370 1.755 20 0 BDADHO c1ccc2c(c1)CC[C@@H](C[NH2+]C1CCNCC1)N2 ZINC001246344684 987752299 /nfs/dbraw/zinc/75/22/99/987752299.db2.gz CKFJTVHBPSBVDB-AWEZNQCLSA-N 1 3 245.370 1.755 20 0 BDADHO COC(=O)CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246357962 987768438 /nfs/dbraw/zinc/76/84/38/987768438.db2.gz WUEHGQVVAJSHJW-GHMZBOCLSA-N 1 3 228.336 1.060 20 0 BDADHO CC1(C)C[C@@H](C[NH2+]C2CCNCC2)CCO1 ZINC001246374425 987777321 /nfs/dbraw/zinc/77/73/21/987777321.db2.gz VDJQIOXMWBVEHG-NSHDSACASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C(C)(C)C(C)(C)O)CCN1 ZINC001246391615 987780926 /nfs/dbraw/zinc/78/09/26/987780926.db2.gz SAMQUXQPLPPWJO-ZJUUUORDSA-N 1 3 214.353 1.266 20 0 BDADHO CC[C@@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246407751 987788001 /nfs/dbraw/zinc/78/80/01/987788001.db2.gz ZJMYFCAULFHAJS-WOPDTQHZSA-N 1 3 241.379 1.138 20 0 BDADHO CCC1(N[C@H]2CC[C@H](C)[NH2+]C2)CCOCC1 ZINC001246442444 987798210 /nfs/dbraw/zinc/79/82/10/987798210.db2.gz SGKMPFVQGQLFJQ-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO Cc1cccc(C2(CNC3CC[NH2+]CC3)CC2)n1 ZINC001246440482 987798717 /nfs/dbraw/zinc/79/87/17/987798717.db2.gz UQUSJTXUOQBBRJ-UHFFFAOYSA-N 1 3 245.370 1.763 20 0 BDADHO CCC1(N[C@H]2CC[C@@H](C)[NH2+]C2)CCOCC1 ZINC001246442442 987800171 /nfs/dbraw/zinc/80/01/71/987800171.db2.gz SGKMPFVQGQLFJQ-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO Fc1cccc2c1CC[C@@H]([NH2+][C@@H]1CC13CNC3)C2 ZINC001246442162 987800522 /nfs/dbraw/zinc/80/05/22/987800522.db2.gz CHUIDAKVTGPRFA-BXUZGUMPSA-N 1 3 246.329 1.635 20 0 BDADHO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC23CNC3)cc1 ZINC001246448390 987805043 /nfs/dbraw/zinc/80/50/43/987805043.db2.gz YHLVGCZMIFPSOK-GXTWGEPZSA-N 1 3 230.355 1.878 20 0 BDADHO COC(=O)[C@H]1CC[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246499423 987852369 /nfs/dbraw/zinc/85/23/69/987852369.db2.gz YDLHFUPTYDIEFY-RHYQMDGZSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC001246499423 987852377 /nfs/dbraw/zinc/85/23/77/987852377.db2.gz YDLHFUPTYDIEFY-RHYQMDGZSA-N 1 3 240.347 1.058 20 0 BDADHO CO[C@H]1CCC[C@@H](N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246498206 987854311 /nfs/dbraw/zinc/85/43/11/987854311.db2.gz GZCXZGAYQOGEGZ-LOWDOPEQSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]1C[C@H](NC[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506129 987858490 /nfs/dbraw/zinc/85/84/90/987858490.db2.gz VQDLVXDLCCDSOO-AEGPPILISA-N 1 3 248.370 1.493 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506132 987860530 /nfs/dbraw/zinc/86/05/30/987860530.db2.gz VQDLVXDLCCDSOO-VHDGCEQUSA-N 1 3 248.370 1.493 20 0 BDADHO COC(=O)CC[C@H](C)N1CCC[C@H]([NH3+])CC1 ZINC001246544928 987918215 /nfs/dbraw/zinc/91/82/15/987918215.db2.gz IGSXLCNXVBQSCO-QWRGUYRKSA-N 1 3 228.336 1.141 20 0 BDADHO CCN1CCC([N@@H+]2[C@@H](C)CC[C@H]2CN)CC1 ZINC001246550707 987944430 /nfs/dbraw/zinc/94/44/30/987944430.db2.gz YBQGBRFEEJNKFY-AAEUAGOBSA-N 1 3 225.380 1.282 20 0 BDADHO CCN1CCC([N@H+]2[C@@H](C)CC[C@H]2CN)CC1 ZINC001246550707 987944442 /nfs/dbraw/zinc/94/44/42/987944442.db2.gz YBQGBRFEEJNKFY-AAEUAGOBSA-N 1 3 225.380 1.282 20 0 BDADHO CCC[C@@H](C)CC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561535 987995158 /nfs/dbraw/zinc/99/51/58/987995158.db2.gz VPRROJAWHZFXBC-AAVRWANBSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561535 987995183 /nfs/dbraw/zinc/99/51/83/987995183.db2.gz VPRROJAWHZFXBC-AAVRWANBSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561535 987995198 /nfs/dbraw/zinc/99/51/98/987995198.db2.gz VPRROJAWHZFXBC-AAVRWANBSA-N 1 3 242.407 1.985 20 0 BDADHO Cc1csc(CCCN[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC001118058577 988001376 /nfs/dbraw/zinc/00/13/76/988001376.db2.gz LBHOLPKSIKQIRM-WDEREUQCSA-N 1 3 239.388 1.854 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H](CO)CC[C@H]2C)CCN1 ZINC001246563235 988006054 /nfs/dbraw/zinc/00/60/54/988006054.db2.gz CJCGOLYJTHVKLM-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H](CO)CC[C@H]2C)CCN1 ZINC001246563235 988006067 /nfs/dbraw/zinc/00/60/67/988006067.db2.gz CJCGOLYJTHVKLM-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(CF)C2)CCN1 ZINC001246564052 988011239 /nfs/dbraw/zinc/01/12/39/988011239.db2.gz DBQVGNZHAWZGJA-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(CF)C2)CCN1 ZINC001246564052 988011252 /nfs/dbraw/zinc/01/12/52/988011252.db2.gz DBQVGNZHAWZGJA-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(CF)C2)CCN1 ZINC001246564053 988019039 /nfs/dbraw/zinc/01/90/39/988019039.db2.gz DBQVGNZHAWZGJA-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(CF)C2)CCN1 ZINC001246564053 988019053 /nfs/dbraw/zinc/01/90/53/988019053.db2.gz DBQVGNZHAWZGJA-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO CCCCCC[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246579726 988097782 /nfs/dbraw/zinc/09/77/82/988097782.db2.gz GTCPLXZXBROAEL-IHRRRGAJSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCCC[C@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246579726 988097801 /nfs/dbraw/zinc/09/78/01/988097801.db2.gz GTCPLXZXBROAEL-IHRRRGAJSA-N 1 3 242.407 1.987 20 0 BDADHO CCCC(CCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578670 988098036 /nfs/dbraw/zinc/09/80/36/988098036.db2.gz HEESHTSCDFQATD-JQWIXIFHSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC(CCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578670 988098051 /nfs/dbraw/zinc/09/80/51/988098051.db2.gz HEESHTSCDFQATD-JQWIXIFHSA-N 1 3 214.353 1.207 20 0 BDADHO CCC1CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246581793 988108664 /nfs/dbraw/zinc/10/86/64/988108664.db2.gz VDURRWJFGYBKBL-MVKMKZAISA-N 1 3 226.364 1.207 20 0 BDADHO CCC1CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246581793 988108674 /nfs/dbraw/zinc/10/86/74/988108674.db2.gz VDURRWJFGYBKBL-MVKMKZAISA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583030 988125235 /nfs/dbraw/zinc/12/52/35/988125235.db2.gz IJRSNOVVRGQGIN-YIYPIFLZSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583030 988125250 /nfs/dbraw/zinc/12/52/50/988125250.db2.gz IJRSNOVVRGQGIN-YIYPIFLZSA-N 1 3 242.407 1.699 20 0 BDADHO CCCC[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584027 988126591 /nfs/dbraw/zinc/12/65/91/988126591.db2.gz KYKMXSYOMKJKMV-QJPTWQEYSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584027 988126600 /nfs/dbraw/zinc/12/66/00/988126600.db2.gz KYKMXSYOMKJKMV-QJPTWQEYSA-N 1 3 214.353 1.207 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246583840 988127067 /nfs/dbraw/zinc/12/70/67/988127067.db2.gz LBKOUFCQXWAAIJ-MOLYVOAJSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246583840 988127073 /nfs/dbraw/zinc/12/70/73/988127073.db2.gz LBKOUFCQXWAAIJ-MOLYVOAJSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@H]1CC([N@@H+]2C[C@H](O)[C@@H](CN)C2)C[C@H](C)C1 ZINC001246588362 988155335 /nfs/dbraw/zinc/15/53/35/988155335.db2.gz YZYVOICBZIUTPA-DCQANWLSSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@H]1CC([N@H+]2C[C@H](O)[C@@H](CN)C2)C[C@H](C)C1 ZINC001246588362 988155341 /nfs/dbraw/zinc/15/53/41/988155341.db2.gz YZYVOICBZIUTPA-DCQANWLSSA-N 1 3 226.364 1.063 20 0 BDADHO CC[C@@H]1CC[C@@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638308 988334447 /nfs/dbraw/zinc/33/44/47/988334447.db2.gz RTCRUKWZFLVFPA-MGPQQGTHSA-N 1 3 237.391 1.202 20 0 BDADHO CO[C@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)CC1 ZINC001246825992 988517898 /nfs/dbraw/zinc/51/78/98/988517898.db2.gz YBWJWLODNRYOMA-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)CC1 ZINC001246825992 988517903 /nfs/dbraw/zinc/51/79/03/988517903.db2.gz YBWJWLODNRYOMA-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO COC(=O)[C@]1(C)CCCN(C2CC[NH2+]CC2)C1 ZINC001246831712 988530136 /nfs/dbraw/zinc/53/01/36/988530136.db2.gz KGEWQQKUZYEVIB-CYBMUJFWSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)[C@]1(C)CCC[N@@H+](C2CCNCC2)C1 ZINC001246831712 988530140 /nfs/dbraw/zinc/53/01/40/988530140.db2.gz KGEWQQKUZYEVIB-CYBMUJFWSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)[C@]1(C)CCC[N@H+](C2CCNCC2)C1 ZINC001246831712 988530145 /nfs/dbraw/zinc/53/01/45/988530145.db2.gz KGEWQQKUZYEVIB-CYBMUJFWSA-N 1 3 240.347 1.014 20 0 BDADHO CC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246850916 988574663 /nfs/dbraw/zinc/57/46/63/988574663.db2.gz KCHXQFSJADVJCY-WXHSDQCUSA-N 1 3 224.348 1.428 20 0 BDADHO CC(=O)[C@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246850916 988574670 /nfs/dbraw/zinc/57/46/70/988574670.db2.gz KCHXQFSJADVJCY-WXHSDQCUSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CCN1 ZINC001246855067 988582809 /nfs/dbraw/zinc/58/28/09/988582809.db2.gz SGLCLDWCIZICLW-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCOC3)CCN1 ZINC001246855067 988582822 /nfs/dbraw/zinc/58/28/22/988582822.db2.gz SGLCLDWCIZICLW-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO CN[C@@H]1CCN1[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246895851 988668574 /nfs/dbraw/zinc/66/85/74/988668574.db2.gz FXIBHASZYQUISD-KFWWJZLASA-N 1 3 245.370 1.731 20 0 BDADHO C[C@H](NCCC[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC001324295760 988784539 /nfs/dbraw/zinc/78/45/39/988784539.db2.gz WLOKSRCTJTVNPS-LBPRGKRZSA-N 1 3 249.358 1.924 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)c1cc[nH]c(=O)c1 ZINC001324295760 988784552 /nfs/dbraw/zinc/78/45/52/988784552.db2.gz WLOKSRCTJTVNPS-LBPRGKRZSA-N 1 3 249.358 1.924 20 0 BDADHO CCCC[C@H]1C[C@H](N2CCNC2)CC[NH2+]1 ZINC001246993518 988824082 /nfs/dbraw/zinc/82/40/82/988824082.db2.gz NVMSQSGGCVTCQM-NWDGAFQWSA-N 1 3 211.353 1.160 20 0 BDADHO C[C@@H]1C[C@@H](N2CCNC3=CCCC[C@H]32)C[C@H](C)[NH2+]1 ZINC001246991373 988824646 /nfs/dbraw/zinc/82/46/46/988824646.db2.gz ANGIPIQPWGXBFU-QVHKTLOISA-N 1 3 249.402 1.857 20 0 BDADHO C[NH2+]CC[C@H](C)N1CCNC2=CCCC[C@H]21 ZINC001246997221 988827460 /nfs/dbraw/zinc/82/74/60/988827460.db2.gz SCDJQIFPRBABIA-WCQYABFASA-N 1 3 223.364 1.326 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001247000381 988831441 /nfs/dbraw/zinc/83/14/41/988831441.db2.gz ICXCBLVSZAKXHT-MDZLAQPJSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001247000381 988831445 /nfs/dbraw/zinc/83/14/45/988831445.db2.gz ICXCBLVSZAKXHT-MDZLAQPJSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@@]1(C)CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000381 988831448 /nfs/dbraw/zinc/83/14/48/988831448.db2.gz ICXCBLVSZAKXHT-MDZLAQPJSA-N 1 3 240.347 1.012 20 0 BDADHO C[N@@H+]1C[C@@H]2CCCN(c3ccncc3)[C@@H]2C1 ZINC001515221898 989006036 /nfs/dbraw/zinc/00/60/36/989006036.db2.gz JOXNDXJSQMELOY-WCQYABFASA-N 1 3 217.316 1.612 20 0 BDADHO C[N@H+]1C[C@@H]2CCCN(c3ccncc3)[C@@H]2C1 ZINC001515221898 989006044 /nfs/dbraw/zinc/00/60/44/989006044.db2.gz JOXNDXJSQMELOY-WCQYABFASA-N 1 3 217.316 1.612 20 0 BDADHO CC(=O)OC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC001119952718 989504823 /nfs/dbraw/zinc/50/48/23/989504823.db2.gz CXVBKDWIZFAHDV-LLVKDONJSA-N 1 3 228.336 1.014 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC001326688033 989654382 /nfs/dbraw/zinc/65/43/82/989654382.db2.gz MZZSKYQQHYKABO-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C1C[NH2+][C@@H](c2noc([C@@H]3CCCCCN3)n2)C1 ZINC001326978142 989795471 /nfs/dbraw/zinc/79/54/71/989795471.db2.gz NQQQASAOFPIHJY-ZJUUUORDSA-N 1 3 236.319 1.699 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NCCCCCC[NH3+] ZINC001122007771 990178025 /nfs/dbraw/zinc/17/80/25/990178025.db2.gz RANVXBYLOPGSNY-NEPJUHHUSA-N 1 3 243.395 1.385 20 0 BDADHO C[N@@H+]1CC[C@@H](CNC[C@@H](O)c2ccccc2)C1 ZINC000225100690 990887877 /nfs/dbraw/zinc/88/78/77/990887877.db2.gz OTKSAYFTKWFPIR-GXTWGEPZSA-N 1 3 234.343 1.261 20 0 BDADHO C[N@H+]1CC[C@@H](CNC[C@@H](O)c2ccccc2)C1 ZINC000225100690 990887879 /nfs/dbraw/zinc/88/78/79/990887879.db2.gz OTKSAYFTKWFPIR-GXTWGEPZSA-N 1 3 234.343 1.261 20 0 BDADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001308984299 991252020 /nfs/dbraw/zinc/25/20/20/991252020.db2.gz MMNFMNHPRAGAFL-NJMOYASZSA-N 1 3 208.349 1.715 20 0 BDADHO CSC(C)(C)C[C@H](C)[NH2+]C1CC(N)C1 ZINC001258335494 991261854 /nfs/dbraw/zinc/26/18/54/991261854.db2.gz YZSCSNIOBFRBDQ-IDKOKCKLSA-N 1 3 216.394 1.986 20 0 BDADHO CO[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055493 991368161 /nfs/dbraw/zinc/36/81/61/991368161.db2.gz BVHLQKKKNZAMSU-RFGFWPKPSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055493 991368167 /nfs/dbraw/zinc/36/81/67/991368167.db2.gz BVHLQKKKNZAMSU-RFGFWPKPSA-N 1 3 238.375 1.437 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@H+](CCCN)C(C)C ZINC001258475547 991450009 /nfs/dbraw/zinc/45/00/09/991450009.db2.gz IRMNQNHWBWSCSS-GFCCVEGCSA-N 1 3 244.379 1.777 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@@H+](CCCN)C(C)C ZINC001258475547 991450011 /nfs/dbraw/zinc/45/00/11/991450011.db2.gz IRMNQNHWBWSCSS-GFCCVEGCSA-N 1 3 244.379 1.777 20 0 BDADHO C[C@]1(F)CCN(CCCC[NH3+])C[C@@H]1F ZINC001206743542 991633984 /nfs/dbraw/zinc/63/39/84/991633984.db2.gz ACFHSVQOGBANOW-UWVGGRQHSA-N 1 3 206.280 1.497 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001258766788 991724747 /nfs/dbraw/zinc/72/47/47/991724747.db2.gz AILQLYDHSJIQNY-OLZOCXBDSA-N 1 3 244.354 1.577 20 0 BDADHO CC[NH2+][C@@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001568466759 992169425 /nfs/dbraw/zinc/16/94/25/992169425.db2.gz GMIBYPWKYSHQFU-NWDGAFQWSA-N 1 3 243.395 1.077 20 0 BDADHO CC(C)([NH2+]C[C@]1(O)CCCNC1)c1ccccc1 ZINC001573484702 992581773 /nfs/dbraw/zinc/58/17/73/992581773.db2.gz PCJSOWDRWTXRBX-HNNXBMFYSA-N 1 3 248.370 1.626 20 0 BDADHO Nc1nc(CNC2CCC(C[NH3+])CC2)cs1 ZINC001262482611 992885525 /nfs/dbraw/zinc/88/55/25/992885525.db2.gz HUZFZDVJUMCLBS-UHFFFAOYSA-N 1 3 240.376 1.332 20 0 BDADHO C(CC1CSC1)[NH2+]C1CCNCC1 ZINC001574795604 992911948 /nfs/dbraw/zinc/91/19/48/992911948.db2.gz NPKBKCYGEPXMTH-UHFFFAOYSA-N 1 3 200.351 1.081 20 0 BDADHO CC(C)(CN)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC001575314925 993010245 /nfs/dbraw/zinc/01/02/45/993010245.db2.gz DJBJYFJXMSFWDP-CHWSQXEVSA-N 1 3 240.391 1.358 20 0 BDADHO CC(C)(CN)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC001575314928 993010950 /nfs/dbraw/zinc/01/09/50/993010950.db2.gz DJBJYFJXMSFWDP-STQMWFEESA-N 1 3 240.391 1.358 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC001575422295 993041370 /nfs/dbraw/zinc/04/13/70/993041370.db2.gz HZUVDBVIQLDDKB-VXGBXAGGSA-N 1 3 242.363 1.103 20 0 BDADHO CC(C)C1(O)CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001575497619 993059482 /nfs/dbraw/zinc/05/94/82/993059482.db2.gz ZBFIETWZEDEKMX-OLZOCXBDSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941992 993133814 /nfs/dbraw/zinc/13/38/14/993133814.db2.gz ZJWYPNKFJRBIFU-UCHMUAQZSA-N 1 3 236.359 1.282 20 0 BDADHO C[C@@H](C[NH2+]CC1(CN)CC1)C(=O)OC(C)(C)C ZINC001576033369 993161726 /nfs/dbraw/zinc/16/17/26/993161726.db2.gz QVRNHOMVEXMVOH-JTQLQIEISA-N 1 3 242.363 1.293 20 0 BDADHO C[C@@H](CNCC1(C[NH3+])CC1)C(=O)OC(C)(C)C ZINC001576033369 993161737 /nfs/dbraw/zinc/16/17/37/993161737.db2.gz QVRNHOMVEXMVOH-JTQLQIEISA-N 1 3 242.363 1.293 20 0 BDADHO C[C@H](Cc1ccno1)NCCC(C)(C)[NH3+] ZINC001576065087 993168179 /nfs/dbraw/zinc/16/81/79/993168179.db2.gz BSWMGVXQGVSJMZ-SECBINFHSA-N 1 3 211.309 1.323 20 0 BDADHO C[C@@H](Cc1ccno1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001576066598 993169418 /nfs/dbraw/zinc/16/94/18/993169418.db2.gz OLOLVAQOTJGGDZ-VWYCJHECSA-N 1 3 223.320 1.051 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC001576116915 993187073 /nfs/dbraw/zinc/18/70/73/993187073.db2.gz BSJUKTMSXBVANK-JQWIXIFHSA-N 1 3 235.331 1.346 20 0 BDADHO C[C@@H]([NH2+][C@H]1C[C@H](N)C1)C1CCSCC1 ZINC001576250682 993233247 /nfs/dbraw/zinc/23/32/47/993233247.db2.gz GMRXWKIJCGEBSO-FBIMIBRVSA-N 1 3 214.378 1.597 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC001576384786 993290080 /nfs/dbraw/zinc/29/00/80/993290080.db2.gz WVJCHQYNSDOWFN-AEJSXWLSSA-N 1 3 247.333 1.041 20 0 BDADHO CC1(C)CC[C@H](CNCC[C@@H]2CCOC2)[NH2+]C1 ZINC001576421951 993300860 /nfs/dbraw/zinc/30/08/60/993300860.db2.gz SNLLOHOYILQDMN-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@]1(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CCCNC1 ZINC001576502951 993324114 /nfs/dbraw/zinc/32/41/14/993324114.db2.gz JLZBVDZZQZZLTG-XJFOESAGSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@@]1(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CCCNC1 ZINC001576502951 993324120 /nfs/dbraw/zinc/32/41/20/993324120.db2.gz JLZBVDZZQZZLTG-XJFOESAGSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@]1(CN[C@@H]2CCO[C@H]2C2CC2)CC[NH2+]C1 ZINC001576526247 993330467 /nfs/dbraw/zinc/33/04/67/993330467.db2.gz PDXOPULSFUBOFJ-AGIUHOORSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@]1(CN[C@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520138 993330547 /nfs/dbraw/zinc/33/05/47/993330547.db2.gz ZANGWJJVGAQOKG-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001576596853 993362206 /nfs/dbraw/zinc/36/22/06/993362206.db2.gz AVIRILROUCREFQ-MROQNXINSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001576596853 993362210 /nfs/dbraw/zinc/36/22/10/993362210.db2.gz AVIRILROUCREFQ-MROQNXINSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCO[C@H](C)C2)C[C@H]1[NH3+] ZINC001576599093 993362585 /nfs/dbraw/zinc/36/25/85/993362585.db2.gz RAIPXGCLAPLHOI-WISYIIOYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1COC(C)(C)O1 ZINC001576622422 993374027 /nfs/dbraw/zinc/37/40/27/993374027.db2.gz DNCUTAXEBRBDSZ-WRWGMCAJSA-N 1 3 242.363 1.257 20 0 BDADHO C[C@@H]1CCN(C[C@H]2COC(C)(C)O2)C[C@@H]1C[NH3+] ZINC001576731689 993407760 /nfs/dbraw/zinc/40/77/60/993407760.db2.gz MVSLRVJEHNTKJU-WOPDTQHZSA-N 1 3 242.363 1.055 20 0 BDADHO C[C@H]1CCN(C[C@@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729689 993409406 /nfs/dbraw/zinc/40/94/06/993409406.db2.gz WCTPPPJWXGEMAD-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@](C)(CN1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC001576949875 993465047 /nfs/dbraw/zinc/46/50/47/993465047.db2.gz TYDFGKYDAUQOOJ-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC001576969359 993472788 /nfs/dbraw/zinc/47/27/88/993472788.db2.gz BJFUVWAGQMVUBF-LOWDOPEQSA-N 1 3 240.391 1.643 20 0 BDADHO CC[C@H](C)[C@H](C(=O)OC)N1CCC(C[NH3+])CC1 ZINC001576966779 993473478 /nfs/dbraw/zinc/47/34/78/993473478.db2.gz LIINLVKZYKEKHA-CMPLNLGQSA-N 1 3 242.363 1.245 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@@H](C)C[S@](C)=O ZINC001577051830 993490603 /nfs/dbraw/zinc/49/06/03/993490603.db2.gz AKOQUVIUFYPHMV-BONVTDFDSA-N 1 3 234.409 1.108 20 0 BDADHO CCC(CC)(CN)C[NH2+]C[C@H](CO)C(C)C ZINC001577052096 993490780 /nfs/dbraw/zinc/49/07/80/993490780.db2.gz ICWUUSWOYNEXBS-GFCCVEGCSA-N 1 3 230.396 1.606 20 0 BDADHO CCC(CC)(C[NH3+])NCc1cc[nH]c(=O)c1 ZINC001577058727 993491432 /nfs/dbraw/zinc/49/14/32/993491432.db2.gz FRBPTPVMXBECED-UHFFFAOYSA-N 1 3 223.320 1.394 20 0 BDADHO CCC(CC)(CNCC(C)(C)[NH3+])C(=O)OC ZINC001577060615 993492055 /nfs/dbraw/zinc/49/20/55/993492055.db2.gz VKEDJXOOPHAUEA-UHFFFAOYSA-N 1 3 230.352 1.293 20 0 BDADHO CCC(CC)CCCN(C)C[C@](C)(O)C[NH3+] ZINC001577069839 993492390 /nfs/dbraw/zinc/49/23/90/993492390.db2.gz VUWVMXUKYLXBPJ-CYBMUJFWSA-N 1 3 230.396 1.844 20 0 BDADHO CC[C@H](CO)[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001577090099 993498760 /nfs/dbraw/zinc/49/87/60/993498760.db2.gz PKQVVAFVISCWLI-XQQFMLRXSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](CO)[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001577090099 993498766 /nfs/dbraw/zinc/49/87/66/993498766.db2.gz PKQVVAFVISCWLI-XQQFMLRXSA-N 1 3 226.364 1.208 20 0 BDADHO CCC(O)(CC)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001577179115 993532734 /nfs/dbraw/zinc/53/27/34/993532734.db2.gz DEHRYEZKYKBCLS-NEPJUHHUSA-N 1 3 228.380 1.325 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCCN(C)CC1 ZINC000384148971 993550330 /nfs/dbraw/zinc/55/03/30/993550330.db2.gz PJJXIMZAZKEMAU-ZDUSSCGKSA-N 1 3 236.363 1.265 20 0 BDADHO CCCN(CC[NH+](CC)CC)C(=O)[C@H](N)CC ZINC001577519730 993677474 /nfs/dbraw/zinc/67/74/74/993677474.db2.gz UIKATUBWRHYCGU-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](C)O ZINC000386751862 993695823 /nfs/dbraw/zinc/69/58/23/993695823.db2.gz GSNFNXGFECUSOZ-RNJOBUHISA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](C)O ZINC000386751862 993695828 /nfs/dbraw/zinc/69/58/28/993695828.db2.gz GSNFNXGFECUSOZ-RNJOBUHISA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C[C@@H]1N ZINC000389311241 993743347 /nfs/dbraw/zinc/74/33/47/993743347.db2.gz BWQIALWSKYWTGF-VWYCJHECSA-N 1 3 214.353 1.063 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C[C@@H]1N ZINC000389311241 993743355 /nfs/dbraw/zinc/74/33/55/993743355.db2.gz BWQIALWSKYWTGF-VWYCJHECSA-N 1 3 214.353 1.063 20 0 BDADHO c1ccc(COCCC[NH2+]C2CCNCC2)cc1 ZINC000390073574 993776742 /nfs/dbraw/zinc/77/67/42/993776742.db2.gz PFAVTEPGIWQIAV-UHFFFAOYSA-N 1 3 248.370 1.935 20 0 BDADHO Cc1cc(C[NH2+][C@@H]2CCCN(C)CC2)ccn1 ZINC000391191186 993810621 /nfs/dbraw/zinc/81/06/21/993810621.db2.gz YRNPQEBODYHTPQ-CQSZACIVSA-N 1 3 233.359 1.964 20 0 BDADHO CN1CCC[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000392644117 993874935 /nfs/dbraw/zinc/87/49/35/993874935.db2.gz QOGRRNWLZIGERM-LBPRGKRZSA-N 1 3 235.331 1.361 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN1CCC[C@@H](C)CC1 ZINC000393884615 994017561 /nfs/dbraw/zinc/01/75/61/994017561.db2.gz QGAWUSCKNKJIQU-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CN1CCC[C@H]1CC[NH2+]C1CCSCC1 ZINC000822127103 994418088 /nfs/dbraw/zinc/41/80/88/994418088.db2.gz FNZFLOYBDRCBFC-LBPRGKRZSA-N 1 3 228.405 1.956 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001336732426 995088658 /nfs/dbraw/zinc/08/86/58/995088658.db2.gz QDHLYWJNGHIKOL-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]([C@H](C)O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040232 995528878 /nfs/dbraw/zinc/52/88/78/995528878.db2.gz KLOLVBQWNACVRO-XQQFMLRXSA-N 1 3 249.358 1.361 20 0 BDADHO CN[C@@H](C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000518794634 349487515 /nfs/dbraw/zinc/48/75/15/349487515.db2.gz KSNRZYKFMCNLPA-WCQYABFASA-N 1 3 249.358 1.191 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000415003586 398145331 /nfs/dbraw/zinc/14/53/31/398145331.db2.gz PDEJQCCYGDMWQW-OUAUKWLOSA-N 1 3 247.333 1.104 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@H](CN)C[C@H]2C)cn1 ZINC000339407084 398156558 /nfs/dbraw/zinc/15/65/58/398156558.db2.gz KWWDFFBUYCNOTN-HIFRSBDPSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@H](CN)C[C@H]2C)cn1 ZINC000339407084 398156561 /nfs/dbraw/zinc/15/65/61/398156561.db2.gz KWWDFFBUYCNOTN-HIFRSBDPSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCCN2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000339407084 398156565 /nfs/dbraw/zinc/15/65/65/398156565.db2.gz KWWDFFBUYCNOTN-HIFRSBDPSA-N 1 3 247.386 1.992 20 0 BDADHO COC[C@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000162152924 538920992 /nfs/dbraw/zinc/92/09/92/538920992.db2.gz VUFSYBMGWXZILN-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO COC[C@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000162152924 538920993 /nfs/dbraw/zinc/92/09/93/538920993.db2.gz VUFSYBMGWXZILN-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO OC[C@H](CC1CCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000423022694 398162076 /nfs/dbraw/zinc/16/20/76/398162076.db2.gz IEXIUSZEVLFIDS-KBPBESRZSA-N 1 3 240.391 1.659 20 0 BDADHO OC[C@H](CC1CCCC1)[NH2+][C@H]1CCCNCC1 ZINC000423022694 398162079 /nfs/dbraw/zinc/16/20/79/398162079.db2.gz IEXIUSZEVLFIDS-KBPBESRZSA-N 1 3 240.391 1.659 20 0 BDADHO OC[C@@H](CC1CCCC1)[NH2+]C1CCNCC1 ZINC000423023527 398163359 /nfs/dbraw/zinc/16/33/59/398163359.db2.gz JWTBHVGYIBFLID-CYBMUJFWSA-N 1 3 226.364 1.269 20 0 BDADHO OC[C@@H](CC1CCCC1)NC1CC[NH2+]CC1 ZINC000423023527 398163363 /nfs/dbraw/zinc/16/33/63/398163363.db2.gz JWTBHVGYIBFLID-CYBMUJFWSA-N 1 3 226.364 1.269 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338009421 187326833 /nfs/dbraw/zinc/32/68/33/187326833.db2.gz RLYIDMNLVJYPSP-KBPBESRZSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1cc(C)n(CCN2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000386834592 398220965 /nfs/dbraw/zinc/22/09/65/398220965.db2.gz WOUCKRLHLWSFTN-DGCLKSJQSA-N 1 3 236.363 1.169 20 0 BDADHO CN1[C@@H]2CC[C@H]1CC([NH2+]C1CCN(C)CC1)C2 ZINC000037266992 361801045 /nfs/dbraw/zinc/80/10/45/361801045.db2.gz AHECJUAQIHJTQC-AGUYFDCRSA-N 1 3 237.391 1.295 20 0 BDADHO CCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000343634797 365613317 /nfs/dbraw/zinc/61/33/17/365613317.db2.gz VEGNQODASSVAHV-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000343634797 365613325 /nfs/dbraw/zinc/61/33/25/365613325.db2.gz VEGNQODASSVAHV-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000180507151 538958533 /nfs/dbraw/zinc/95/85/33/538958533.db2.gz WKVWVXQYNXWTRY-PWSUYJOCSA-N 1 3 236.363 1.711 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000166566363 361853731 /nfs/dbraw/zinc/85/37/31/361853731.db2.gz JOYACOLPGACSIP-VXGBXAGGSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000166566363 361853734 /nfs/dbraw/zinc/85/37/34/361853734.db2.gz JOYACOLPGACSIP-VXGBXAGGSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166566363 361853741 /nfs/dbraw/zinc/85/37/41/361853741.db2.gz JOYACOLPGACSIP-VXGBXAGGSA-N 1 3 216.369 1.730 20 0 BDADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000583937443 342728653 /nfs/dbraw/zinc/72/86/53/342728653.db2.gz NCVIGRJXTAOGCY-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO CCSCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000309618296 342753279 /nfs/dbraw/zinc/75/32/79/342753279.db2.gz FYXQBSMZAVUNSD-LBPRGKRZSA-N 1 3 228.405 1.815 20 0 BDADHO CCSCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000309618296 342753280 /nfs/dbraw/zinc/75/32/80/342753280.db2.gz FYXQBSMZAVUNSD-LBPRGKRZSA-N 1 3 228.405 1.815 20 0 BDADHO CCSCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000309618296 342753281 /nfs/dbraw/zinc/75/32/81/342753281.db2.gz FYXQBSMZAVUNSD-LBPRGKRZSA-N 1 3 228.405 1.815 20 0 BDADHO Cc1cc(CCN[C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000581835026 342811338 /nfs/dbraw/zinc/81/13/38/342811338.db2.gz KCSRZMZPSISTMV-WDEREUQCSA-N 1 3 223.320 1.385 20 0 BDADHO CN(C[C@@H]1CCC(F)(F)C1)C1CC([NH3+])C1 ZINC000384725912 344004142 /nfs/dbraw/zinc/00/41/42/344004142.db2.gz ACOXJOUKMCBVLQ-XNWIYYODSA-N 1 3 218.291 1.843 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC12CCOCC2)CN(C)C ZINC000562342275 323017208 /nfs/dbraw/zinc/01/72/08/323017208.db2.gz PJONDIUBSGNWCP-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CCCCCF)C1 ZINC000308454801 346874041 /nfs/dbraw/zinc/87/40/41/346874041.db2.gz DMEYSCGJFMEGSJ-NSHDSACASA-N 1 3 202.317 1.797 20 0 BDADHO NC[C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000308454801 346874045 /nfs/dbraw/zinc/87/40/45/346874045.db2.gz DMEYSCGJFMEGSJ-NSHDSACASA-N 1 3 202.317 1.797 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000308454801 346874048 /nfs/dbraw/zinc/87/40/48/346874048.db2.gz DMEYSCGJFMEGSJ-NSHDSACASA-N 1 3 202.317 1.797 20 0 BDADHO Cc1ccc(C[NH2+]C[C@@H](N)C2CC2)s1 ZINC000399485204 398326365 /nfs/dbraw/zinc/32/63/65/398326365.db2.gz RKWFJKQQGJNNOJ-LLVKDONJSA-N 1 3 210.346 1.883 20 0 BDADHO CC[C@]1(O)CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000495259538 529442204 /nfs/dbraw/zinc/44/22/04/529442204.db2.gz APGXOXLCYNSNJG-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@]1(O)CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000495259538 529442205 /nfs/dbraw/zinc/44/22/05/529442205.db2.gz APGXOXLCYNSNJG-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H](F)CC[NH+]1CCC(N(C)C)CC1 ZINC000351850986 136257512 /nfs/dbraw/zinc/25/75/12/136257512.db2.gz IIWPAOLFLJZYSP-SNVBAGLBSA-N 1 3 202.317 1.761 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCCN ZINC000122925974 187226501 /nfs/dbraw/zinc/22/65/01/187226501.db2.gz XATOUXIMCOFGFF-LLVKDONJSA-N 1 3 222.332 1.604 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCCN ZINC000122925974 187226503 /nfs/dbraw/zinc/22/65/03/187226503.db2.gz XATOUXIMCOFGFF-LLVKDONJSA-N 1 3 222.332 1.604 20 0 BDADHO CCC[C@H](CCO)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386485990 343068328 /nfs/dbraw/zinc/06/83/28/343068328.db2.gz SWYAAAPNFIXKBN-MCIONIFRSA-N 1 3 242.407 1.905 20 0 BDADHO CCC[C@H](CCO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386485992 343068363 /nfs/dbraw/zinc/06/83/63/343068363.db2.gz SWYAAAPNFIXKBN-MJBXVCDLSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCCO1 ZINC000042821775 362026994 /nfs/dbraw/zinc/02/69/94/362026994.db2.gz PKPAUSDVZPNXOB-UTUOFQBUSA-N 1 3 212.337 1.367 20 0 BDADHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1 ZINC000291663477 187240699 /nfs/dbraw/zinc/24/06/99/187240699.db2.gz FILRZXZYMKGOKD-GFCCVEGCSA-N 1 3 236.359 1.983 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093215215 343151325 /nfs/dbraw/zinc/15/13/25/343151325.db2.gz BGKLJHMLLWFNHA-SDDRHHMPSA-N 1 3 241.379 1.151 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093215215 343151326 /nfs/dbraw/zinc/15/13/26/343151326.db2.gz BGKLJHMLLWFNHA-SDDRHHMPSA-N 1 3 241.379 1.151 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000092133676 343153448 /nfs/dbraw/zinc/15/34/48/343153448.db2.gz JRNFTEAOWMOOQW-LLVKDONJSA-N 1 3 249.358 1.542 20 0 BDADHO C[NH+]1CCC(NC[C@@H](O)c2ccccc2)CC1 ZINC000035112655 343284836 /nfs/dbraw/zinc/28/48/36/343284836.db2.gz DGIZFRREMPSBEF-CQSZACIVSA-N 1 3 234.343 1.404 20 0 BDADHO Cc1nccn1CCC[NH2+][C@](C)(CN)C(C)C ZINC000348745346 136296170 /nfs/dbraw/zinc/29/61/70/136296170.db2.gz DFZBEHJHPZUUDY-CYBMUJFWSA-N 1 3 238.379 1.545 20 0 BDADHO CC[C@H](O)CNC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000569837695 323042185 /nfs/dbraw/zinc/04/21/85/323042185.db2.gz UFEXGGTVMBMSQI-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@H](O)CNC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000569837695 323042186 /nfs/dbraw/zinc/04/21/86/323042186.db2.gz UFEXGGTVMBMSQI-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@@H]1CCN(CC(C)C)C1 ZINC000569837695 323042187 /nfs/dbraw/zinc/04/21/87/323042187.db2.gz UFEXGGTVMBMSQI-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO c1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335636020 136300860 /nfs/dbraw/zinc/30/08/60/136300860.db2.gz SYTYKEJGYILEHP-UONOGXRCSA-N 1 3 245.370 1.903 20 0 BDADHO CC[C@@H](COC)[NH2+]CCCN1CCCC1 ZINC000070623737 343335810 /nfs/dbraw/zinc/33/58/10/343335810.db2.gz NIFIIQYGBCCLKW-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CC[C@@H](COC)NCCC[NH+]1CCCC1 ZINC000070623737 343335811 /nfs/dbraw/zinc/33/58/11/343335811.db2.gz NIFIIQYGBCCLKW-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000252709666 536878472 /nfs/dbraw/zinc/87/84/72/536878472.db2.gz DLZNKUWRCQXJRF-QNWHQSFQSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000252709666 536878477 /nfs/dbraw/zinc/87/84/77/536878477.db2.gz DLZNKUWRCQXJRF-QNWHQSFQSA-N 1 3 226.364 1.626 20 0 BDADHO CN(C[C@@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000082545996 343447958 /nfs/dbraw/zinc/44/79/58/343447958.db2.gz WXPMJPRKELCERN-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](O)CC1 ZINC000335888781 136358327 /nfs/dbraw/zinc/35/83/27/136358327.db2.gz XVRYKUDFYAFNHO-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](O)CC1 ZINC000335888781 136358328 /nfs/dbraw/zinc/35/83/28/136358328.db2.gz XVRYKUDFYAFNHO-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO COCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500490 536893848 /nfs/dbraw/zinc/89/38/48/536893848.db2.gz IHYPBBQQEGLNNX-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217348 136372689 /nfs/dbraw/zinc/37/26/89/136372689.db2.gz UPULBHXGRKMVNR-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217348 136372690 /nfs/dbraw/zinc/37/26/90/136372690.db2.gz UPULBHXGRKMVNR-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO COCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250180785 536894393 /nfs/dbraw/zinc/89/43/93/536894393.db2.gz VNEKBSMVTMNSOX-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C([NH2+]C[C@@H]1CCCOC1)[C@H]1CCCNC1 ZINC000087646741 343656169 /nfs/dbraw/zinc/65/61/69/343656169.db2.gz QZCMXWYKZUIMKS-RYUDHWBXSA-N 1 3 212.337 1.002 20 0 BDADHO COCC1(N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000309064536 349829788 /nfs/dbraw/zinc/82/97/88/349829788.db2.gz YOJJJLQBFCOQFU-GHMZBOCLSA-N 1 3 212.337 1.238 20 0 BDADHO COCC1(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000309064536 349829790 /nfs/dbraw/zinc/82/97/90/349829790.db2.gz YOJJJLQBFCOQFU-GHMZBOCLSA-N 1 3 212.337 1.238 20 0 BDADHO C1C[C@@]2(CN1C1CC[NH2+]CC1)CCCCO2 ZINC000409431417 343823343 /nfs/dbraw/zinc/82/33/43/343823343.db2.gz SFSZXKRFQNOACU-CYBMUJFWSA-N 1 3 224.348 1.383 20 0 BDADHO C1C[C@@]2(C[N@@H+]1C1CCNCC1)CCCCO2 ZINC000409431417 343823346 /nfs/dbraw/zinc/82/33/46/343823346.db2.gz SFSZXKRFQNOACU-CYBMUJFWSA-N 1 3 224.348 1.383 20 0 BDADHO C1C[C@@]2(C[N@H+]1C1CCNCC1)CCCCO2 ZINC000409431417 343823347 /nfs/dbraw/zinc/82/33/47/343823347.db2.gz SFSZXKRFQNOACU-CYBMUJFWSA-N 1 3 224.348 1.383 20 0 BDADHO C[C@@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000392765937 349876285 /nfs/dbraw/zinc/87/62/85/349876285.db2.gz SUNFLAWLANHYHK-ZYHUDNBSSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000392765937 349876288 /nfs/dbraw/zinc/87/62/88/349876288.db2.gz SUNFLAWLANHYHK-ZYHUDNBSSA-N 1 3 235.331 1.360 20 0 BDADHO CC(C)C[C@H](CNC(=O)[C@@H](N)C(C)C)[NH+](C)C ZINC000040831276 187355154 /nfs/dbraw/zinc/35/51/54/187355154.db2.gz LRLBUXOXKUELGP-NEPJUHHUSA-N 1 3 243.395 1.062 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732432 344107102 /nfs/dbraw/zinc/10/71/02/344107102.db2.gz GOYMGQFSADZTDE-SDDRHHMPSA-N 1 3 226.364 1.532 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000634733427 344113225 /nfs/dbraw/zinc/11/32/25/344113225.db2.gz FNTXKMVZKZNGEX-VXGBXAGGSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@H](C)C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733851 344114614 /nfs/dbraw/zinc/11/46/14/344114614.db2.gz PQSTZRBYNRBAHD-UTUOFQBUSA-N 1 3 212.337 1.001 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000131888440 344237895 /nfs/dbraw/zinc/23/78/95/344237895.db2.gz UOZKGEMYXMWWFF-MNOVXSKESA-N 1 3 216.369 1.587 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236648057 187289882 /nfs/dbraw/zinc/28/98/82/187289882.db2.gz OEAUQWQCVKNWER-NEPJUHHUSA-N 1 3 241.379 1.055 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CCOC1 ZINC000133302733 344316889 /nfs/dbraw/zinc/31/68/89/344316889.db2.gz FELMBQAYNXJPKN-RYUDHWBXSA-N 1 3 214.353 1.328 20 0 BDADHO COC(=O)CCCC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000600710539 344360859 /nfs/dbraw/zinc/36/08/59/344360859.db2.gz OKBXSMDQZAQZSK-WCQYABFASA-N 1 3 240.347 1.143 20 0 BDADHO COC(=O)CCCC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000600710539 344360862 /nfs/dbraw/zinc/36/08/62/344360862.db2.gz OKBXSMDQZAQZSK-WCQYABFASA-N 1 3 240.347 1.143 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CCCSCC1 ZINC000042444872 187291334 /nfs/dbraw/zinc/29/13/34/187291334.db2.gz GQUVTCJTZJTTSM-NSHDSACASA-N 1 3 216.394 1.799 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CCCSCC1 ZINC000042444872 187291336 /nfs/dbraw/zinc/29/13/36/187291336.db2.gz GQUVTCJTZJTTSM-NSHDSACASA-N 1 3 216.394 1.799 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)CCN1C ZINC000624100977 344538243 /nfs/dbraw/zinc/53/82/43/344538243.db2.gz AJSCCWPJWGCKSV-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO C([NH2+][C@@H]1CCCNCC1)[C@H]1CCCS1 ZINC000160693122 187359392 /nfs/dbraw/zinc/35/93/92/187359392.db2.gz DAJVAQUDHXIMGQ-GHMZBOCLSA-N 1 3 214.378 1.614 20 0 BDADHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCS1 ZINC000160693122 187359393 /nfs/dbraw/zinc/35/93/93/187359393.db2.gz DAJVAQUDHXIMGQ-GHMZBOCLSA-N 1 3 214.378 1.614 20 0 BDADHO CN(CCC[NH+]1CCCCC1)C[C@H]1C[C@@H](O)C1 ZINC000626046464 344697152 /nfs/dbraw/zinc/69/71/52/344697152.db2.gz DNFJDIWMXXMMNT-OKILXGFUSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)C[NH+](CC)CC)N(C)C ZINC000338970431 537872868 /nfs/dbraw/zinc/87/28/68/537872868.db2.gz SWNVKMDIXUOTFC-VXGBXAGGSA-N 1 3 243.395 1.173 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOCc1ccccc1 ZINC000390231658 259383292 /nfs/dbraw/zinc/38/32/92/259383292.db2.gz HPEZCYLLVQGAEB-CABCVRRESA-N 1 3 248.370 1.920 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000390231658 259383293 /nfs/dbraw/zinc/38/32/93/259383293.db2.gz HPEZCYLLVQGAEB-CABCVRRESA-N 1 3 248.370 1.920 20 0 BDADHO OCC1([NH2+]CC23CC(C2)CN3)CCCCC1 ZINC000634993807 345192119 /nfs/dbraw/zinc/19/21/19/345192119.db2.gz HBDYBDDFHVHBIO-UHFFFAOYSA-N 1 3 224.348 1.023 20 0 BDADHO C[C@H]1CN(Cc2ccsc2)C[C@H]1C[NH3+] ZINC000634998238 345198294 /nfs/dbraw/zinc/19/82/94/345198294.db2.gz CJPCEGHBWORHMF-GXSJLCMTSA-N 1 3 210.346 1.775 20 0 BDADHO C[C@@H]1CN(Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000634999338 345199133 /nfs/dbraw/zinc/19/91/33/345199133.db2.gz SQCAAKQCKAKLPN-BXUZGUMPSA-N 1 3 245.370 1.681 20 0 BDADHO CC(C)CCC[NH+]1CCC(NCCO)CC1 ZINC000635001457 345201384 /nfs/dbraw/zinc/20/13/84/345201384.db2.gz SQVMOGRXUGVGJO-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CCC[C@H]1[NH3+] ZINC000635003695 345207157 /nfs/dbraw/zinc/20/71/57/345207157.db2.gz KJSNZCBWCIZNFW-MXWKQRLJSA-N 1 3 200.326 1.007 20 0 BDADHO C1=C(C[NH2+]CCCN2CCCC2)COCC1 ZINC000336685364 187307076 /nfs/dbraw/zinc/30/70/76/187307076.db2.gz UCFJYJXMPXTNFH-UHFFFAOYSA-N 1 3 224.348 1.409 20 0 BDADHO CC(C)(NCC1CC[NH2+]CC1)c1nccs1 ZINC000178982835 187308455 /nfs/dbraw/zinc/30/84/55/187308455.db2.gz IXWZMNUAPCPVOB-UHFFFAOYSA-N 1 3 239.388 1.967 20 0 BDADHO OC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000159980034 345768695 /nfs/dbraw/zinc/76/86/95/345768695.db2.gz KIQNOLREJAFVAF-RYUDHWBXSA-N 1 3 224.348 1.118 20 0 BDADHO OC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000159980034 345768698 /nfs/dbraw/zinc/76/86/98/345768698.db2.gz KIQNOLREJAFVAF-RYUDHWBXSA-N 1 3 224.348 1.118 20 0 BDADHO COCC1CC[NH+](C2CCNCC2)CC1 ZINC000069631762 345786609 /nfs/dbraw/zinc/78/66/09/345786609.db2.gz JPBYTWZNZNXZMY-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO COCC1CCN(C2CC[NH2+]CC2)CC1 ZINC000069631762 345786613 /nfs/dbraw/zinc/78/66/13/345786613.db2.gz JPBYTWZNZNXZMY-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC1C[NH2+]C1 ZINC000307654537 345878124 /nfs/dbraw/zinc/87/81/24/345878124.db2.gz MRZMLAYKNHIFNP-DOMZBBRYSA-N 1 3 245.370 1.068 20 0 BDADHO [NH3+]CCOCCN(Cc1ccccc1)C1CC1 ZINC000307383133 187318231 /nfs/dbraw/zinc/31/82/31/187318231.db2.gz IIBAMLPHYXWJJY-UHFFFAOYSA-N 1 3 234.343 1.626 20 0 BDADHO CC[C@@H](CSC)NC[C@H](O)C[NH+]1CCCC1 ZINC000217329940 346299118 /nfs/dbraw/zinc/29/91/18/346299118.db2.gz AJFOZZQEOBQULH-RYUDHWBXSA-N 1 3 246.420 1.174 20 0 BDADHO CC[C@H](CSC)NC[C@@H](O)C[NH+]1CCCC1 ZINC000217329938 346299151 /nfs/dbraw/zinc/29/91/51/346299151.db2.gz AJFOZZQEOBQULH-VXGBXAGGSA-N 1 3 246.420 1.174 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000641803942 362761557 /nfs/dbraw/zinc/76/15/57/362761557.db2.gz WEZJPDOKIJIBME-RYUDHWBXSA-N 1 3 236.363 1.297 20 0 BDADHO Cc1cc(C)n(CCN[C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800804 362753322 /nfs/dbraw/zinc/75/33/22/362753322.db2.gz GFPMJTOBFQAHOM-RYUDHWBXSA-N 1 3 236.363 1.215 20 0 BDADHO Cc1cc(C)n(CC[NH2+][C@H]2C[C@H](N)C2(C)C)n1 ZINC000641800804 362753326 /nfs/dbraw/zinc/75/33/26/362753326.db2.gz GFPMJTOBFQAHOM-RYUDHWBXSA-N 1 3 236.363 1.215 20 0 BDADHO CCO[C@H](C[NH2+][C@@H]1C[C@H](N)C1(C)C)C1CC1 ZINC000641801979 362757870 /nfs/dbraw/zinc/75/78/70/362757870.db2.gz XFNALPJJFXSNPC-GRYCIOLGSA-N 1 3 226.364 1.517 20 0 BDADHO CCO[C@H](CN[C@@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000641801979 362757876 /nfs/dbraw/zinc/75/78/76/362757876.db2.gz XFNALPJJFXSNPC-GRYCIOLGSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000641802121 362758203 /nfs/dbraw/zinc/75/82/03/362758203.db2.gz XVRWGXVGLIGLOX-NEPJUHHUSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000641802121 362758208 /nfs/dbraw/zinc/75/82/08/362758208.db2.gz XVRWGXVGLIGLOX-NEPJUHHUSA-N 1 3 238.375 1.770 20 0 BDADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H](C)COC)C1 ZINC000187373832 346571995 /nfs/dbraw/zinc/57/19/95/346571995.db2.gz TWPHLSBZCGCAJW-ZIAGYGMSSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187373832 346571997 /nfs/dbraw/zinc/57/19/97/346571997.db2.gz TWPHLSBZCGCAJW-ZIAGYGMSSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187373832 346572000 /nfs/dbraw/zinc/57/20/00/346572000.db2.gz TWPHLSBZCGCAJW-ZIAGYGMSSA-N 1 3 242.407 1.933 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000624119509 346650919 /nfs/dbraw/zinc/65/09/19/346650919.db2.gz DGBPMEPGIJMCHB-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CCSC1)C2 ZINC000622004897 370655376 /nfs/dbraw/zinc/65/53/76/370655376.db2.gz WEEJOJWXRHUDEU-TUAOUCFPSA-N 1 3 226.389 1.553 20 0 BDADHO CCSCC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000601323492 347203684 /nfs/dbraw/zinc/20/36/84/347203684.db2.gz BAFPFIVDANXAFG-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCSCC[N@H+]1CCCCC[C@@H](N)C1 ZINC000601323492 347203686 /nfs/dbraw/zinc/20/36/86/347203686.db2.gz BAFPFIVDANXAFG-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCN1CCC([NH2+][C@H](C)CN(C)C(C)C)CC1 ZINC000310073755 347226438 /nfs/dbraw/zinc/22/64/38/347226438.db2.gz AIWUQYHLNQOLQS-CYBMUJFWSA-N 1 3 241.423 1.789 20 0 BDADHO CC[C@@H](NC[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581383 347678614 /nfs/dbraw/zinc/67/86/14/347678614.db2.gz SZDJRNLPUGLBCE-NXEZZACHSA-N 1 3 228.336 1.045 20 0 BDADHO Cc1ccccc1C[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313385182 179274488 /nfs/dbraw/zinc/27/44/88/179274488.db2.gz KISOJXTZYHJNFR-AWEZNQCLSA-N 1 3 234.343 1.545 20 0 BDADHO Cc1ccccc1C[N@H+]1CCCO[C@@H](CN)C1 ZINC000313385182 179274491 /nfs/dbraw/zinc/27/44/91/179274491.db2.gz KISOJXTZYHJNFR-AWEZNQCLSA-N 1 3 234.343 1.545 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414960291 323152276 /nfs/dbraw/zinc/15/22/76/323152276.db2.gz YBZNRRDXUDVMHN-VWYCJHECSA-N 1 3 200.326 1.142 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414960291 323152277 /nfs/dbraw/zinc/15/22/77/323152277.db2.gz YBZNRRDXUDVMHN-VWYCJHECSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCCCF ZINC000308458243 347669641 /nfs/dbraw/zinc/66/96/41/347669641.db2.gz FMBDFVUGSULKIB-MNOVXSKESA-N 1 3 202.317 1.938 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000308540002 347822488 /nfs/dbraw/zinc/82/24/88/347822488.db2.gz IHYVBPSDJFAPAW-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO COC(=O)CCN(CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000592493571 347787632 /nfs/dbraw/zinc/78/76/32/347787632.db2.gz VPRBKIGAPCCIIG-GFCCVEGCSA-N 1 3 242.363 1.117 20 0 BDADHO CCOC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593729009 347937677 /nfs/dbraw/zinc/93/76/77/347937677.db2.gz CPUFELPVRBFDRZ-AAEUAGOBSA-N 1 3 240.347 1.000 20 0 BDADHO CCOC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593729009 347937680 /nfs/dbraw/zinc/93/76/80/347937680.db2.gz CPUFELPVRBFDRZ-AAEUAGOBSA-N 1 3 240.347 1.000 20 0 BDADHO CCOC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593729009 347937682 /nfs/dbraw/zinc/93/76/82/347937682.db2.gz CPUFELPVRBFDRZ-AAEUAGOBSA-N 1 3 240.347 1.000 20 0 BDADHO CCSCCN1CCC(C)([NH3+])CC1 ZINC000308605909 347909472 /nfs/dbraw/zinc/90/94/72/347909472.db2.gz BTIOBLZGDXQWBW-UHFFFAOYSA-N 1 3 202.367 1.553 20 0 BDADHO CC(C)OC(=O)C[C@H]([NH2+]CCCN)C(C)C ZINC000594583230 348077130 /nfs/dbraw/zinc/07/71/30/348077130.db2.gz DFMXHAAESSIXKR-NSHDSACASA-N 1 3 230.352 1.291 20 0 BDADHO CC(C)OC(=O)C[C@H](NCCC[NH3+])C(C)C ZINC000594583230 348077132 /nfs/dbraw/zinc/07/71/32/348077132.db2.gz DFMXHAAESSIXKR-NSHDSACASA-N 1 3 230.352 1.291 20 0 BDADHO C[C@H](CSCCF)[NH2+]C[C@H](C)CN(C)C ZINC000595037768 348176094 /nfs/dbraw/zinc/17/60/94/348176094.db2.gz IAGLLJGKQGYGDH-WDEREUQCSA-N 1 3 236.400 1.865 20 0 BDADHO C[C@H](CSCCF)NC[C@H](C)C[NH+](C)C ZINC000595037768 348176097 /nfs/dbraw/zinc/17/60/97/348176097.db2.gz IAGLLJGKQGYGDH-WDEREUQCSA-N 1 3 236.400 1.865 20 0 BDADHO CCSC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000596649595 348605287 /nfs/dbraw/zinc/60/52/87/348605287.db2.gz CSNKWRCTHOUDDS-MNOVXSKESA-N 1 3 228.405 1.989 20 0 BDADHO CCSC1(CN[C@@H](C)C2C[NH2+]C2)CC1 ZINC000596651350 348606110 /nfs/dbraw/zinc/60/61/10/348606110.db2.gz NFELBIUKJLXCSM-VIFPVBQESA-N 1 3 214.378 1.470 20 0 BDADHO CCSC1(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000596651350 348606113 /nfs/dbraw/zinc/60/61/13/348606113.db2.gz NFELBIUKJLXCSM-VIFPVBQESA-N 1 3 214.378 1.470 20 0 BDADHO CC1CCC(N2CCN(CC[NH3+])CC2)CC1 ZINC000082848507 348841462 /nfs/dbraw/zinc/84/14/62/348841462.db2.gz KELUREXYSBWXBG-UHFFFAOYSA-N 1 3 225.380 1.141 20 0 BDADHO C[C@H](NCC[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211538 323211425 /nfs/dbraw/zinc/21/14/25/323211425.db2.gz METULNBIFRYAIH-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCOC2)C1 ZINC000250515992 349175085 /nfs/dbraw/zinc/17/50/85/349175085.db2.gz QPSATRDGNGMACF-RYUDHWBXSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCOC2)C1 ZINC000250515992 349175087 /nfs/dbraw/zinc/17/50/87/349175087.db2.gz QPSATRDGNGMACF-RYUDHWBXSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCOC2)C1 ZINC000250515992 349175090 /nfs/dbraw/zinc/17/50/90/349175090.db2.gz QPSATRDGNGMACF-RYUDHWBXSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250518179 349175211 /nfs/dbraw/zinc/17/52/11/349175211.db2.gz RMVQYHBINMRXKQ-ZIAGYGMSSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000251849883 362943223 /nfs/dbraw/zinc/94/32/23/362943223.db2.gz RQJPNEJGEHXPIN-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO COC[C@@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253109593 349223734 /nfs/dbraw/zinc/22/37/34/349223734.db2.gz FRLNIBUBYHMKKR-ACJTYDJDSA-N 1 3 226.364 1.484 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000132053012 191024219 /nfs/dbraw/zinc/02/42/19/191024219.db2.gz XIETVBQAYCZECT-QWHCGFSZSA-N 1 3 227.396 1.258 20 0 BDADHO C[C@H]1CN(CCc2ccccc2)CC[C@H]1[NH3+] ZINC000006780183 350212016 /nfs/dbraw/zinc/21/20/16/350212016.db2.gz LRHHXVNCKIHDJJ-GXTWGEPZSA-N 1 3 218.344 1.898 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083528256 350237420 /nfs/dbraw/zinc/23/74/20/350237420.db2.gz LUNUTPOMGLQPCF-OLZOCXBDSA-N 1 3 226.364 1.759 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCO1 ZINC000083528256 350237422 /nfs/dbraw/zinc/23/74/22/350237422.db2.gz LUNUTPOMGLQPCF-OLZOCXBDSA-N 1 3 226.364 1.759 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1CC[C@@H]1CCCO1 ZINC000083528256 350237424 /nfs/dbraw/zinc/23/74/24/350237424.db2.gz LUNUTPOMGLQPCF-OLZOCXBDSA-N 1 3 226.364 1.759 20 0 BDADHO CC[NH2+]CCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000422781737 192465275 /nfs/dbraw/zinc/46/52/75/192465275.db2.gz IZPFVDUTUMGWBV-LBPRGKRZSA-N 1 3 241.379 1.010 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328174742 350374777 /nfs/dbraw/zinc/37/47/77/350374777.db2.gz KYHARASYVSUEKO-XQQFMLRXSA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328174742 350374782 /nfs/dbraw/zinc/37/47/82/350374782.db2.gz KYHARASYVSUEKO-XQQFMLRXSA-N 1 3 226.364 1.208 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2O)C1 ZINC000328174742 350374787 /nfs/dbraw/zinc/37/47/87/350374787.db2.gz KYHARASYVSUEKO-XQQFMLRXSA-N 1 3 226.364 1.208 20 0 BDADHO CCC1(C[N@H+](C)CCCN)CCOCC1 ZINC000309444109 350497573 /nfs/dbraw/zinc/49/75/73/350497573.db2.gz KXFZMWJYJACJLE-UHFFFAOYSA-N 1 3 214.353 1.474 20 0 BDADHO CCC1(C[N@@H+](C)CCCN)CCOCC1 ZINC000309444109 350497576 /nfs/dbraw/zinc/49/75/76/350497576.db2.gz KXFZMWJYJACJLE-UHFFFAOYSA-N 1 3 214.353 1.474 20 0 BDADHO CCC1(CN(C)CCC[NH3+])CCOCC1 ZINC000309444109 350497579 /nfs/dbraw/zinc/49/75/79/350497579.db2.gz KXFZMWJYJACJLE-UHFFFAOYSA-N 1 3 214.353 1.474 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559984 362983562 /nfs/dbraw/zinc/98/35/62/362983562.db2.gz RDPVXFXCGZWQPA-LOWDOPEQSA-N 1 3 238.375 1.769 20 0 BDADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1(C)C ZINC000623559984 362983566 /nfs/dbraw/zinc/98/35/66/362983566.db2.gz RDPVXFXCGZWQPA-LOWDOPEQSA-N 1 3 238.375 1.769 20 0 BDADHO CN(C)CCN(C)CCC[NH2+]Cc1ccccc1 ZINC000623088597 350848706 /nfs/dbraw/zinc/84/87/06/350848706.db2.gz UZBHPOKZLTXALL-UHFFFAOYSA-N 1 3 249.402 1.660 20 0 BDADHO C[N@@H+]1CC[C@@H](NCCOCCF)CC1(C)C ZINC000623575404 363004932 /nfs/dbraw/zinc/00/49/32/363004932.db2.gz ZCWUSZLGMVYRDC-LLVKDONJSA-N 1 3 232.343 1.435 20 0 BDADHO C[N@H+]1CC[C@@H](NCCOCCF)CC1(C)C ZINC000623575404 363004938 /nfs/dbraw/zinc/00/49/38/363004938.db2.gz ZCWUSZLGMVYRDC-LLVKDONJSA-N 1 3 232.343 1.435 20 0 BDADHO [NH3+]CCN1CCNC[C@H]1c1ccc(Cl)cc1 ZINC000616635746 351121170 /nfs/dbraw/zinc/12/11/70/351121170.db2.gz LGTOWNYKTKHCDD-LBPRGKRZSA-N 1 3 239.750 1.245 20 0 BDADHO CCCC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336730021 351583226 /nfs/dbraw/zinc/58/32/26/351583226.db2.gz IALIDHZTUMNYBZ-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])N(C)C ZINC000637807781 351643934 /nfs/dbraw/zinc/64/39/34/351643934.db2.gz NWQRFSJYOCUBCV-IJLUTSLNSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])N(C)C ZINC000637807784 351644720 /nfs/dbraw/zinc/64/47/20/351644720.db2.gz NWQRFSJYOCUBCV-UTUOFQBUSA-N 1 3 241.379 1.055 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1nccs1 ZINC000391121262 259420015 /nfs/dbraw/zinc/42/00/15/259420015.db2.gz BJCOWZQQWNUUOV-WDEREUQCSA-N 1 3 239.388 1.793 20 0 BDADHO C(C1CCSCC1)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000638088354 351965227 /nfs/dbraw/zinc/96/52/27/351965227.db2.gz ADJQQSSXSMHEDI-QWHCGFSZSA-N 1 3 240.416 1.813 20 0 BDADHO C(C1CCSCC1)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000638088354 351965231 /nfs/dbraw/zinc/96/52/31/351965231.db2.gz ADJQQSSXSMHEDI-QWHCGFSZSA-N 1 3 240.416 1.813 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196212 352060016 /nfs/dbraw/zinc/06/00/16/352060016.db2.gz QRUVSXWNUIOXMR-LLVKDONJSA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270612 352108496 /nfs/dbraw/zinc/10/84/96/352108496.db2.gz JMGNMFFQVFZPME-GHMZBOCLSA-N 1 3 241.379 1.007 20 0 BDADHO Cc1cn[nH]c1CNC[C@@]1(C)CCC[NH2+]C1 ZINC000414915676 352266560 /nfs/dbraw/zinc/26/65/60/352266560.db2.gz ONBSHYISPCEHBM-LBPRGKRZSA-N 1 3 222.336 1.197 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415003823 352478677 /nfs/dbraw/zinc/47/86/77/352478677.db2.gz XPBBMBMEHXREOJ-NEPJUHHUSA-N 1 3 249.358 1.703 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415003826 352479335 /nfs/dbraw/zinc/47/93/35/352479335.db2.gz XPBBMBMEHXREOJ-VXGBXAGGSA-N 1 3 249.358 1.703 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638642236 352485601 /nfs/dbraw/zinc/48/56/01/352485601.db2.gz VYZWXFQHYXYENY-SRVKXCTJSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820461 353000485 /nfs/dbraw/zinc/00/04/85/353000485.db2.gz WNYWFPIUYJHBSC-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000300900128 188001524 /nfs/dbraw/zinc/00/15/24/188001524.db2.gz VZKYISKZYHTMRK-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)N(CC)CC ZINC000638934396 353097484 /nfs/dbraw/zinc/09/74/84/353097484.db2.gz HUBSQHRGPKADFK-IJLUTSLNSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)N(CC)CC ZINC000638934398 353097554 /nfs/dbraw/zinc/09/75/54/353097554.db2.gz HUBSQHRGPKADFK-SDDRHHMPSA-N 1 3 241.379 1.055 20 0 BDADHO C(CN1CCN(C2CC2)CC1)C1CC[NH2+]CC1 ZINC000042491226 188042785 /nfs/dbraw/zinc/04/27/85/188042785.db2.gz BRRFUFJCSWBMGZ-UHFFFAOYSA-N 1 3 237.391 1.156 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H](N)c1ccccc1 ZINC000638938933 353121347 /nfs/dbraw/zinc/12/13/47/353121347.db2.gz ZFSRTLKYYSODQA-RAIGVLPGSA-N 1 3 247.342 1.025 20 0 BDADHO Cc1nn(C)cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130576315 188048341 /nfs/dbraw/zinc/04/83/41/188048341.db2.gz HZOTVWLTQGAIMA-YUTCNCBUSA-N 1 3 248.374 1.288 20 0 BDADHO COc1ccc(CCN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131768155 188048861 /nfs/dbraw/zinc/04/88/61/188048861.db2.gz UYKCOJDKZSGIMB-JSGCOSHPSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000131768155 188048863 /nfs/dbraw/zinc/04/88/63/188048863.db2.gz UYKCOJDKZSGIMB-JSGCOSHPSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@H](CN)C[C@@H]2C)cc1 ZINC000131768155 188048864 /nfs/dbraw/zinc/04/88/64/188048864.db2.gz UYKCOJDKZSGIMB-JSGCOSHPSA-N 1 3 248.370 1.907 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000037619269 358475038 /nfs/dbraw/zinc/47/50/38/358475038.db2.gz KLNHHBTWRJJVMD-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000037619269 358475040 /nfs/dbraw/zinc/47/50/40/358475040.db2.gz KLNHHBTWRJJVMD-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCN1CC[C@H](C[NH2+]C2CCN(CC)CC2)C1 ZINC000037643798 358475473 /nfs/dbraw/zinc/47/54/73/358475473.db2.gz MRZOFSNUWOLKCQ-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(O)c3)C[C@@H]21 ZINC000230126208 353473526 /nfs/dbraw/zinc/47/35/26/353473526.db2.gz NYESHHZTXMSUHL-AEGPPILISA-N 1 3 246.354 1.951 20 0 BDADHO CC(C)(N)C[N@@H+]1CCSC(C)(C)CC1 ZINC000231051343 353561182 /nfs/dbraw/zinc/56/11/82/353561182.db2.gz XHOHOGNTZZUGCR-UHFFFAOYSA-N 1 3 216.394 1.941 20 0 BDADHO CC(C)(N)C[N@H+]1CCSC(C)(C)CC1 ZINC000231051343 353561184 /nfs/dbraw/zinc/56/11/84/353561184.db2.gz XHOHOGNTZZUGCR-UHFFFAOYSA-N 1 3 216.394 1.941 20 0 BDADHO CC(C)(NCC[C@H]1CC[NH2+]C1)c1nccs1 ZINC000232559937 353733479 /nfs/dbraw/zinc/73/34/79/353733479.db2.gz NDNJXVKZXKTWCA-SNVBAGLBSA-N 1 3 239.388 1.967 20 0 BDADHO C(NC1CCSCC1)[C@@H]1CCCC[NH2+]1 ZINC000232449930 353726788 /nfs/dbraw/zinc/72/67/88/353726788.db2.gz VUGRUJPSGSBPCS-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO CN(C)CCC[N@H+](C)Cc1c[nH]c2ncncc12 ZINC000639167581 354035755 /nfs/dbraw/zinc/03/57/55/354035755.db2.gz ILVHXWKSYCIQCU-UHFFFAOYSA-N 1 3 247.346 1.293 20 0 BDADHO CN(C)CCC[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC000639167581 354035758 /nfs/dbraw/zinc/03/57/58/354035758.db2.gz ILVHXWKSYCIQCU-UHFFFAOYSA-N 1 3 247.346 1.293 20 0 BDADHO CCN(CC[NH2+][C@@H]1CN(CC)C[C@H]1C)C(C)C ZINC000343907994 354036816 /nfs/dbraw/zinc/03/68/16/354036816.db2.gz GYKIPJIGCZZOBM-ZIAGYGMSSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)N(CC)CC ZINC000344651838 354338157 /nfs/dbraw/zinc/33/81/57/354338157.db2.gz GKYTXSUSSFBRRG-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)CNC2CC2)cc1 ZINC000178907962 366180571 /nfs/dbraw/zinc/18/05/71/366180571.db2.gz FHMUJISGNHYLIA-SECBINFHSA-N 1 3 233.315 1.397 20 0 BDADHO C[N@H+](CCCCCO)C[C@H]1CCCNC1 ZINC000234262795 363418236 /nfs/dbraw/zinc/41/82/36/363418236.db2.gz VCVOVWNEBRPVOB-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO C[N@@H+](CCCCCO)C[C@H]1CCCNC1 ZINC000234262795 363418242 /nfs/dbraw/zinc/41/82/42/363418242.db2.gz VCVOVWNEBRPVOB-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CN(CCCCCO)C[C@H]1CCC[NH2+]C1 ZINC000234262795 363418249 /nfs/dbraw/zinc/41/82/49/363418249.db2.gz VCVOVWNEBRPVOB-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CCOCCCN1CC[C@@H]([NH2+]CCF)[C@H](C)C1 ZINC000346557822 354967716 /nfs/dbraw/zinc/96/77/16/354967716.db2.gz ITCLIZNYFYLSBD-CHWSQXEVSA-N 1 3 246.370 1.683 20 0 BDADHO CC[C@@H]1C[C@@H](CN2CCC[C@H]2C[NH3+])CCO1 ZINC000347011697 355205083 /nfs/dbraw/zinc/20/50/83/355205083.db2.gz GTXOPLKLOZLYPH-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)OC ZINC000412975270 191346364 /nfs/dbraw/zinc/34/63/64/191346364.db2.gz FAUBFMJPSGBORE-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)OC ZINC000412975270 191346367 /nfs/dbraw/zinc/34/63/67/191346367.db2.gz FAUBFMJPSGBORE-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000412975270 191346368 /nfs/dbraw/zinc/34/63/68/191346368.db2.gz FAUBFMJPSGBORE-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000412975270 191346370 /nfs/dbraw/zinc/34/63/70/191346370.db2.gz FAUBFMJPSGBORE-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000639245353 355267025 /nfs/dbraw/zinc/26/70/25/355267025.db2.gz WTHXWBHLALNPRC-CHWSQXEVSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000639245353 355267029 /nfs/dbraw/zinc/26/70/29/355267029.db2.gz WTHXWBHLALNPRC-CHWSQXEVSA-N 1 3 248.374 1.400 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)CCO1 ZINC000388887748 355319922 /nfs/dbraw/zinc/31/99/22/355319922.db2.gz KTBVINQEKJJXDV-FVCCEPFGSA-N 1 3 226.364 1.519 20 0 BDADHO CC[C@@H](NCCCC[NH+](C)C)c1ccn(C)n1 ZINC000349465054 355386276 /nfs/dbraw/zinc/38/62/76/355386276.db2.gz UOXYBVHBRMNICH-GFCCVEGCSA-N 1 3 238.379 1.803 20 0 BDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000166370082 355390755 /nfs/dbraw/zinc/39/07/55/355390755.db2.gz MEUXJKOCCJVNPM-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000166370082 355390761 /nfs/dbraw/zinc/39/07/61/355390761.db2.gz MEUXJKOCCJVNPM-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414807448 191576720 /nfs/dbraw/zinc/57/67/20/191576720.db2.gz RHFFULAWFPKIKF-MXWKQRLJSA-N 1 3 224.348 1.271 20 0 BDADHO CC(C)([NH3+])CNC[C@@H]1NCCc2ccccc21 ZINC000414963350 191634012 /nfs/dbraw/zinc/63/40/12/191634012.db2.gz XHOKMKUGTHGGAR-ZDUSSCGKSA-N 1 3 233.359 1.200 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc(C3CC3)no2)C1 ZINC000639313493 355691020 /nfs/dbraw/zinc/69/10/20/355691020.db2.gz WGIQNGWUFBJNOU-KLPPZKSPSA-N 1 3 249.358 1.982 20 0 BDADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccnn1C ZINC000192250938 356079523 /nfs/dbraw/zinc/07/95/23/356079523.db2.gz POSMPPBRXHBKCS-LLVKDONJSA-N 1 3 236.363 1.413 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CC1(F)F ZINC000666444462 491088517 /nfs/dbraw/zinc/08/85/17/491088517.db2.gz GIOJZEOZHRVNET-KXUCPTDWSA-N 1 3 220.307 1.960 20 0 BDADHO CC(C)OC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000420295796 192203564 /nfs/dbraw/zinc/20/35/64/192203564.db2.gz AUNMNGCTVXCWRX-LBPRGKRZSA-N 1 3 230.352 1.291 20 0 BDADHO CCN(C)C(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000420295996 192205200 /nfs/dbraw/zinc/20/52/00/192205200.db2.gz WKKMNHIGVYEGDG-LBPRGKRZSA-N 1 3 243.395 1.160 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420299503 192206798 /nfs/dbraw/zinc/20/67/98/192206798.db2.gz GQVMDDBADIEIHW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000420299498 192207117 /nfs/dbraw/zinc/20/71/17/192207117.db2.gz GQVMDDBADIEIHW-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CN(CCCc1ccncc1)CC(C)(C)C[NH3+] ZINC000420290026 192201563 /nfs/dbraw/zinc/20/15/63/192201563.db2.gz LEBBZBPAJPUACC-UHFFFAOYSA-N 1 3 235.375 1.931 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120973 134091060 /nfs/dbraw/zinc/09/10/60/134091060.db2.gz GRXLJLRHXGXXKA-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120973 134091061 /nfs/dbraw/zinc/09/10/61/134091061.db2.gz GRXLJLRHXGXXKA-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO Nc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccn1 ZINC000420316409 192213397 /nfs/dbraw/zinc/21/33/97/192213397.db2.gz YCLQABWQWADEHZ-XQQFMLRXSA-N 1 3 246.358 1.053 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000420353980 192217644 /nfs/dbraw/zinc/21/76/44/192217644.db2.gz NSNRHPDSNBAWAF-QWRGUYRKSA-N 1 3 200.326 1.223 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@H](N)[C@@H]1C ZINC000420353980 192217646 /nfs/dbraw/zinc/21/76/46/192217646.db2.gz NSNRHPDSNBAWAF-QWRGUYRKSA-N 1 3 200.326 1.223 20 0 BDADHO Cc1cccc([C@H](C)[N@H+](C)C[C@@H](O)CN)c1 ZINC000420349919 192218233 /nfs/dbraw/zinc/21/82/33/192218233.db2.gz FEHLVHAMMIYQDV-AAEUAGOBSA-N 1 3 222.332 1.307 20 0 BDADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@@H](O)CN)c1 ZINC000420349919 192218234 /nfs/dbraw/zinc/21/82/34/192218234.db2.gz FEHLVHAMMIYQDV-AAEUAGOBSA-N 1 3 222.332 1.307 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000420357701 192219915 /nfs/dbraw/zinc/21/99/15/192219915.db2.gz SNYDHAWRCUZAIM-QWRGUYRKSA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CCCC[N@H+]1CC[C@H](N)[C@@H]1C ZINC000420357701 192219918 /nfs/dbraw/zinc/21/99/18/192219918.db2.gz SNYDHAWRCUZAIM-QWRGUYRKSA-N 1 3 228.336 1.141 20 0 BDADHO COc1ccccc1[C@@H](C)NCCOCC[NH3+] ZINC000420365448 192223210 /nfs/dbraw/zinc/22/32/10/192223210.db2.gz DVXDTTXPCWRUKT-LLVKDONJSA-N 1 3 238.331 1.321 20 0 BDADHO CCN1C[C@H](C)N(CCC[NH2+]C)C[C@H]1C ZINC000420365687 192223860 /nfs/dbraw/zinc/22/38/60/192223860.db2.gz SOXMXINFNNPTTE-NEPJUHHUSA-N 1 3 213.369 1.010 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420393475 192237258 /nfs/dbraw/zinc/23/72/58/192237258.db2.gz CDPGFOXIUJUZOZ-HUUCEWRRSA-N 1 3 247.386 1.631 20 0 BDADHO C[NH2+]CCCN[C@@H](C)[C@H]1COc2ccccc21 ZINC000420394069 192237263 /nfs/dbraw/zinc/23/72/63/192237263.db2.gz CLQOBIGJNOBRGW-WCQYABFASA-N 1 3 234.343 1.750 20 0 BDADHO c1c[nH]c([C@@H]2CCCN2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420378403 192232996 /nfs/dbraw/zinc/23/29/96/192232996.db2.gz UBWANCZCPXKLTB-OLZOCXBDSA-N 1 3 248.374 1.936 20 0 BDADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917130 192273530 /nfs/dbraw/zinc/27/35/30/192273530.db2.gz QPJJZVAFIALZDT-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917130 192273531 /nfs/dbraw/zinc/27/35/31/192273531.db2.gz QPJJZVAFIALZDT-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@H+](CCCN1CCCC1)Cc1cc[nH]c(=O)c1 ZINC000639623457 356542923 /nfs/dbraw/zinc/54/29/23/356542923.db2.gz PWVHNYNMTNIYLT-UHFFFAOYSA-N 1 3 249.358 1.705 20 0 BDADHO C[N@@H+](CCCN1CCCC1)Cc1cc[nH]c(=O)c1 ZINC000639623457 356542927 /nfs/dbraw/zinc/54/29/27/356542927.db2.gz PWVHNYNMTNIYLT-UHFFFAOYSA-N 1 3 249.358 1.705 20 0 BDADHO C/C=C/C[C@H](CO)N[C@H](C)C[C@H](C)[NH3+] ZINC000423045319 192551875 /nfs/dbraw/zinc/55/18/75/192551875.db2.gz BZPBOJBOEJMYJP-IHJCATOESA-N 1 3 200.326 1.029 20 0 BDADHO CC(C)SCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000393658395 356659193 /nfs/dbraw/zinc/65/91/93/356659193.db2.gz OMGOIGOJLQGXFW-WDEREUQCSA-N 1 3 216.394 1.988 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000130234162 325027624 /nfs/dbraw/zinc/02/76/24/325027624.db2.gz VAHAWEQVYJWPDO-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130234162 325027627 /nfs/dbraw/zinc/02/76/27/325027627.db2.gz VAHAWEQVYJWPDO-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130234162 325027630 /nfs/dbraw/zinc/02/76/30/325027630.db2.gz VAHAWEQVYJWPDO-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO CN(C)C(C)(C)C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623336830 356728757 /nfs/dbraw/zinc/72/87/57/356728757.db2.gz HQXJEUDXJRGNJT-LBPRGKRZSA-N 1 3 241.423 1.789 20 0 BDADHO CC[NH2+]CCCNC1CCN(CC(F)F)CC1 ZINC000578185230 366367903 /nfs/dbraw/zinc/36/79/03/366367903.db2.gz LYXRXPUOQYKLPY-UHFFFAOYSA-N 1 3 249.349 1.305 20 0 BDADHO CCNCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000578185230 366367909 /nfs/dbraw/zinc/36/79/09/366367909.db2.gz LYXRXPUOQYKLPY-UHFFFAOYSA-N 1 3 249.349 1.305 20 0 BDADHO CN1CCC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000623372509 356880745 /nfs/dbraw/zinc/88/07/45/356880745.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372509 356880748 /nfs/dbraw/zinc/88/07/48/356880748.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372509 356880750 /nfs/dbraw/zinc/88/07/50/356880750.db2.gz XIJPOIQKYSNDRP-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000623372510 356881118 /nfs/dbraw/zinc/88/11/18/356881118.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372510 356881122 /nfs/dbraw/zinc/88/11/22/356881122.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372510 356881125 /nfs/dbraw/zinc/88/11/25/356881125.db2.gz XIJPOIQKYSNDRP-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO COC[C@@H]([NH2+]CCCN)C1CCCC1 ZINC000423184338 192613890 /nfs/dbraw/zinc/61/38/90/192613890.db2.gz IJKMWQXKRQSJRP-LLVKDONJSA-N 1 3 200.326 1.130 20 0 BDADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccco1 ZINC000423185331 192615309 /nfs/dbraw/zinc/61/53/09/192615309.db2.gz VDPNOXWZLHZRKG-LBPRGKRZSA-N 1 3 237.347 1.226 20 0 BDADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ncc[nH]1 ZINC000353682228 538760474 /nfs/dbraw/zinc/76/04/74/538760474.db2.gz CJQWWLOZEVHGER-LLVKDONJSA-N 1 3 236.363 1.792 20 0 BDADHO CCN1CCC[C@H]1C[NH2+]C1CCN(CC)CC1 ZINC000019959680 356995572 /nfs/dbraw/zinc/99/55/72/356995572.db2.gz AGDCYDRBNLMGSA-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO CC(C)C[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000389822495 357044889 /nfs/dbraw/zinc/04/48/89/357044889.db2.gz QSEOACYSQGZKQG-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623395329 357018083 /nfs/dbraw/zinc/01/80/83/357018083.db2.gz HIXLYINVLLIUHI-ZDUSSCGKSA-N 1 3 241.423 1.789 20 0 BDADHO CC[C@H]1C[N@H+](C[C@H](O)CN(C)CC)CCS1 ZINC000390587754 357102441 /nfs/dbraw/zinc/10/24/41/357102441.db2.gz RJJOPLMHXPVDEI-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO CC[C@H]1C[N@@H+](C[C@H](O)CN(C)CC)CCS1 ZINC000390587754 357102444 /nfs/dbraw/zinc/10/24/44/357102444.db2.gz RJJOPLMHXPVDEI-NEPJUHHUSA-N 1 3 246.420 1.126 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000656200541 538784496 /nfs/dbraw/zinc/78/44/96/538784496.db2.gz ORRRXNMIHKYEQZ-NWDGAFQWSA-N 1 3 226.364 1.391 20 0 BDADHO CCC[NH+]1CCC(NC2(COC)CC2)CC1 ZINC000390498928 357097917 /nfs/dbraw/zinc/09/79/17/357097917.db2.gz TVADJOYHRYVEPQ-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C)C2)ccn1 ZINC000391161625 357124319 /nfs/dbraw/zinc/12/43/19/357124319.db2.gz NMDKRNZWYZHGJO-CQSZACIVSA-N 1 3 233.359 1.821 20 0 BDADHO CC(F)(F)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000393596599 357288367 /nfs/dbraw/zinc/28/83/67/357288367.db2.gz AVRSPGXMJQZZDC-IUCAKERBSA-N 1 3 206.280 1.891 20 0 BDADHO Cc1cnccc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582857292 357421930 /nfs/dbraw/zinc/42/19/30/357421930.db2.gz ZOZMJAVBSPEBLT-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000582857292 357421935 /nfs/dbraw/zinc/42/19/35/357421935.db2.gz ZOZMJAVBSPEBLT-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CCO[C@@H](C)C1 ZINC000582899098 357425381 /nfs/dbraw/zinc/42/53/81/357425381.db2.gz WNQUYIOUYPUUAU-RYUDHWBXSA-N 1 3 214.353 1.532 20 0 BDADHO CC(C)NCCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000582899098 357425384 /nfs/dbraw/zinc/42/53/84/357425384.db2.gz WNQUYIOUYPUUAU-RYUDHWBXSA-N 1 3 214.353 1.532 20 0 BDADHO Cc1nccnc1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000583078294 357473780 /nfs/dbraw/zinc/47/37/80/357473780.db2.gz LGZJFPHNNBXXMF-TZMCWYRMSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000583078294 357473781 /nfs/dbraw/zinc/47/37/81/357473781.db2.gz LGZJFPHNNBXXMF-TZMCWYRMSA-N 1 3 248.374 1.435 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396812249 357485091 /nfs/dbraw/zinc/48/50/91/357485091.db2.gz QEZWHRAARKFLLS-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396812249 357485093 /nfs/dbraw/zinc/48/50/93/357485093.db2.gz QEZWHRAARKFLLS-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396812249 357485095 /nfs/dbraw/zinc/48/50/95/357485095.db2.gz QEZWHRAARKFLLS-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO C(C[C@@H]1CCOC1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000230393035 357533432 /nfs/dbraw/zinc/53/34/32/357533432.db2.gz OTAHEXMYSBKCOO-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@@H]1CCOC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393035 357533435 /nfs/dbraw/zinc/53/34/35/357533435.db2.gz OTAHEXMYSBKCOO-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@@H]1CCOC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393035 357533439 /nfs/dbraw/zinc/53/34/39/357533439.db2.gz OTAHEXMYSBKCOO-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397604957 357626496 /nfs/dbraw/zinc/62/64/96/357626496.db2.gz PLWCJSSZKHPSQK-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO CCC(=O)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000190245298 357697181 /nfs/dbraw/zinc/69/71/81/357697181.db2.gz KEZOTBZVQIVIKN-ZDUSSCGKSA-N 1 3 238.375 1.773 20 0 BDADHO CCC(=O)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000190245298 357697183 /nfs/dbraw/zinc/69/71/83/357697183.db2.gz KEZOTBZVQIVIKN-ZDUSSCGKSA-N 1 3 238.375 1.773 20 0 BDADHO CC1(C[N@@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000381612028 357731938 /nfs/dbraw/zinc/73/19/38/357731938.db2.gz SQFZJYHCKLVXCC-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO CC1(C[N@H+]2CC[C@]3(C2)CCCNC3)CC1 ZINC000381612028 357731940 /nfs/dbraw/zinc/73/19/40/357731940.db2.gz SQFZJYHCKLVXCC-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO CC1(CN2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000381612028 357731941 /nfs/dbraw/zinc/73/19/41/357731941.db2.gz SQFZJYHCKLVXCC-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO C[C@H](Cc1ccsc1)N[C@H](C)C1C[NH2+]C1 ZINC000583257232 357732798 /nfs/dbraw/zinc/73/27/98/357732798.db2.gz QQVYAXGYCVIVEE-NXEZZACHSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@H](Cc1ccsc1)[NH2+][C@H](C)C1CNC1 ZINC000583257232 357732800 /nfs/dbraw/zinc/73/28/00/357732800.db2.gz QQVYAXGYCVIVEE-NXEZZACHSA-N 1 3 224.373 1.877 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000233765729 357744915 /nfs/dbraw/zinc/74/49/15/357744915.db2.gz ZORKIDBEMZOPOP-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH2+]C2CC2)C1(C)C ZINC000233765729 357744919 /nfs/dbraw/zinc/74/49/19/357744919.db2.gz ZORKIDBEMZOPOP-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO CSC1(C[NH2+]CCCN2CCCC2)CC1 ZINC000235228339 357858651 /nfs/dbraw/zinc/85/86/51/357858651.db2.gz PLUADHGRYLFMED-UHFFFAOYSA-N 1 3 228.405 1.958 20 0 BDADHO CSC1(CNCCC[NH+]2CCCC2)CC1 ZINC000235228339 357858652 /nfs/dbraw/zinc/85/86/52/357858652.db2.gz PLUADHGRYLFMED-UHFFFAOYSA-N 1 3 228.405 1.958 20 0 BDADHO Cc1c[nH+]ccc1N1CC[C@H](N2CC=CC2)C1 ZINC000192626374 357840502 /nfs/dbraw/zinc/84/05/02/357840502.db2.gz OOSPFPMQBBHXLV-ZDUSSCGKSA-N 1 3 229.327 1.841 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573133 134226732 /nfs/dbraw/zinc/22/67/32/134226732.db2.gz KUHWQPBHAIGDHY-VXGBXAGGSA-N 1 3 226.364 1.256 20 0 BDADHO CN(C)CCOCC[NH2+]C(C1CC1)C1CC1 ZINC000219311997 357994982 /nfs/dbraw/zinc/99/49/82/357994982.db2.gz DGTSHRXAEJVVQI-UHFFFAOYSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCCNCC1 ZINC000168712471 134246572 /nfs/dbraw/zinc/24/65/72/134246572.db2.gz BXRICCRHXNSJGH-GFCCVEGCSA-N 1 3 214.353 1.533 20 0 BDADHO CCN(CCN[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000217506184 134248711 /nfs/dbraw/zinc/24/87/11/134248711.db2.gz XGKPLESKBAKPOU-DGCLKSJQSA-N 1 3 225.380 1.188 20 0 BDADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000584839347 358199194 /nfs/dbraw/zinc/19/91/94/358199194.db2.gz ZNTCIOZATMXVLJ-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)COC2 ZINC000423304970 192693445 /nfs/dbraw/zinc/69/34/45/192693445.db2.gz ZUPYANAWIUOKKN-QWRGUYRKSA-N 1 3 234.343 1.962 20 0 BDADHO C[C@@H](c1cnccn1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226969362 358346830 /nfs/dbraw/zinc/34/68/30/358346830.db2.gz HNBYZAOTZSSICC-RYUDHWBXSA-N 1 3 234.347 1.598 20 0 BDADHO CCCN1CCC([NH2+][C@@H](C)CN(C)C)CC1 ZINC000130345215 358619361 /nfs/dbraw/zinc/61/93/61/358619361.db2.gz KAGXIHRXRSOXNO-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCO1 ZINC000049332465 358683257 /nfs/dbraw/zinc/68/32/57/358683257.db2.gz APOWJVVZSROMDE-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000049332465 358683259 /nfs/dbraw/zinc/68/32/59/358683259.db2.gz APOWJVVZSROMDE-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CN1CCC(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000131666218 358687996 /nfs/dbraw/zinc/68/79/96/358687996.db2.gz NPRGWIVHDUCONF-UHFFFAOYSA-N 1 3 247.342 1.426 20 0 BDADHO CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884664 358810219 /nfs/dbraw/zinc/81/02/19/358810219.db2.gz MBTYGOTXDJKUMA-DGCLKSJQSA-N 1 3 208.349 1.955 20 0 BDADHO CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884664 358810221 /nfs/dbraw/zinc/81/02/21/358810221.db2.gz MBTYGOTXDJKUMA-DGCLKSJQSA-N 1 3 208.349 1.955 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000134360399 358787331 /nfs/dbraw/zinc/78/73/31/358787331.db2.gz JAVBHRHMNUEONP-LEWSCRJBSA-N 1 3 234.343 1.882 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000069858059 359034411 /nfs/dbraw/zinc/03/44/11/359034411.db2.gz BNQPMUFJMMTNFP-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCOC(=O)CCCCC[N@@H+]1CC[C@H](CN)C1 ZINC000071293364 359075699 /nfs/dbraw/zinc/07/56/99/359075699.db2.gz SYSGWOZQOXAWER-GFCCVEGCSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCCCC[N@H+]1CC[C@H](CN)C1 ZINC000071293364 359075702 /nfs/dbraw/zinc/07/57/02/359075702.db2.gz SYSGWOZQOXAWER-GFCCVEGCSA-N 1 3 242.363 1.391 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246429189 359083118 /nfs/dbraw/zinc/08/31/18/359083118.db2.gz NCJDXNFGOJJOGB-CHWSQXEVSA-N 1 3 228.380 1.589 20 0 BDADHO COCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246525949 359143606 /nfs/dbraw/zinc/14/36/06/359143606.db2.gz JCXTUSMOVQFHGD-GXTWGEPZSA-N 1 3 238.375 1.582 20 0 BDADHO COCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246525949 359143607 /nfs/dbraw/zinc/14/36/07/359143607.db2.gz JCXTUSMOVQFHGD-GXTWGEPZSA-N 1 3 238.375 1.582 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000246567727 359148073 /nfs/dbraw/zinc/14/80/73/359148073.db2.gz XSDMVWLOTYMMDP-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246567727 359148081 /nfs/dbraw/zinc/14/80/81/359148081.db2.gz XSDMVWLOTYMMDP-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000246567727 359148085 /nfs/dbraw/zinc/14/80/85/359148085.db2.gz XSDMVWLOTYMMDP-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000247186338 359199806 /nfs/dbraw/zinc/19/98/06/359199806.db2.gz VMTVFTDPBUCSTM-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000247314119 359211296 /nfs/dbraw/zinc/21/12/96/359211296.db2.gz RJNWOJLUENXGSN-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000247314119 359211297 /nfs/dbraw/zinc/21/12/97/359211297.db2.gz RJNWOJLUENXGSN-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513362 192800643 /nfs/dbraw/zinc/80/06/43/192800643.db2.gz RHPWVOZPFVXPCS-UMNHJUIQSA-N 1 3 237.322 1.999 20 0 BDADHO COCCC[C@H](C)[NH2+]CCCNC1CC1 ZINC000423532830 192805627 /nfs/dbraw/zinc/80/56/27/192805627.db2.gz VYSZFDBPZDPJBD-NSHDSACASA-N 1 3 214.353 1.533 20 0 BDADHO CC[C@@H](C)N(C)C[C@H](O)C[N@H+](C)CC ZINC000379540861 359539906 /nfs/dbraw/zinc/53/99/06/359539906.db2.gz PHPGTKSGXMCGDJ-GHMZBOCLSA-N 1 3 202.342 1.029 20 0 BDADHO CC[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)CC ZINC000379540861 359539913 /nfs/dbraw/zinc/53/99/13/359539913.db2.gz PHPGTKSGXMCGDJ-GHMZBOCLSA-N 1 3 202.342 1.029 20 0 BDADHO CC(C)CN1CCC([NH2+]C2CSC2)CC1 ZINC000309025299 491142799 /nfs/dbraw/zinc/14/27/99/491142799.db2.gz ZOHVHAWSIZDCNL-UHFFFAOYSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@]1(C)CCCO1 ZINC000087233562 359903527 /nfs/dbraw/zinc/90/35/27/359903527.db2.gz JGGKUTSNUJVREX-UPJWGTAASA-N 1 3 226.364 1.676 20 0 BDADHO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000087409477 359910958 /nfs/dbraw/zinc/91/09/58/359910958.db2.gz GCCQTHBAHCJZHL-QWRGUYRKSA-N 1 3 238.379 1.719 20 0 BDADHO Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089146299 359992744 /nfs/dbraw/zinc/99/27/44/359992744.db2.gz TXIJEWCBEJHXEV-UONOGXRCSA-N 1 3 233.359 1.997 20 0 BDADHO CC[C@@H](N)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000089069461 359985470 /nfs/dbraw/zinc/98/54/70/359985470.db2.gz WIPHJFHVYZLBHR-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](N)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000089069461 359985471 /nfs/dbraw/zinc/98/54/71/359985471.db2.gz WIPHJFHVYZLBHR-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000093488501 360251616 /nfs/dbraw/zinc/25/16/16/360251616.db2.gz WJCRKKMTMXPTBX-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)C1CCOCC1 ZINC000094722679 360316339 /nfs/dbraw/zinc/31/63/39/360316339.db2.gz XTEDWMXYUTYEFX-KGLIPLIRSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000156258998 360959343 /nfs/dbraw/zinc/95/93/43/360959343.db2.gz YYFYXFAXAUQNSB-TUAOUCFPSA-N 1 3 213.369 1.009 20 0 BDADHO C[C@H](CC1CCOCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409400 361057747 /nfs/dbraw/zinc/05/77/47/361057747.db2.gz APKZKOBJJKULRD-BZPMIXESSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@@H](CC(C)C)NCC1([NH3+])CCOCC1 ZINC000629521706 361117901 /nfs/dbraw/zinc/11/79/01/361117901.db2.gz RUHBIPJCRKCLBK-GFCCVEGCSA-N 1 3 244.379 1.145 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cc(C)c(C)o1 ZINC000629530649 361145610 /nfs/dbraw/zinc/14/56/10/361145610.db2.gz MLNLQYDYJYRFIK-NSHDSACASA-N 1 3 240.347 1.783 20 0 BDADHO CC(C)CC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629525345 361125589 /nfs/dbraw/zinc/12/55/89/361125589.db2.gz XWVQWTYROZSRRF-RBKKPWLPSA-N 1 3 240.391 1.656 20 0 BDADHO COCCN(C)CCCC[NH+]1CCCCC1 ZINC000640530767 361302050 /nfs/dbraw/zinc/30/20/50/361302050.db2.gz CRSJMDNUFFRGCX-UHFFFAOYSA-N 1 3 228.380 1.831 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000622043413 370674058 /nfs/dbraw/zinc/67/40/58/370674058.db2.gz AHLAWZJKVZRAOI-BBBLOLIVSA-N 1 3 218.291 1.891 20 0 BDADHO [NH3+]CCCOCCN[C@H]1CCCc2occc21 ZINC000629539640 361407339 /nfs/dbraw/zinc/40/73/39/361407339.db2.gz QQNBJZUYKPJZTF-LBPRGKRZSA-N 1 3 238.331 1.612 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc[nH]c1=O ZINC000629544705 361423278 /nfs/dbraw/zinc/42/32/78/361423278.db2.gz KGZBJRRWZNXICD-JQWIXIFHSA-N 1 3 235.331 1.394 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629547439 361430839 /nfs/dbraw/zinc/43/08/39/361430839.db2.gz JTXZTLGODVXXIV-XUXIUFHCSA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629547439 361430843 /nfs/dbraw/zinc/43/08/43/361430843.db2.gz JTXZTLGODVXXIV-XUXIUFHCSA-N 1 3 238.375 1.661 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C ZINC000629547857 361431861 /nfs/dbraw/zinc/43/18/61/361431861.db2.gz VQDSPWWKXHTUGR-UHIISALHSA-N 1 3 248.374 1.250 20 0 BDADHO C[C@@H]1CN(CCC[NH3+])C[C@@H](C)C1(F)F ZINC000629552838 361436479 /nfs/dbraw/zinc/43/64/79/361436479.db2.gz RBJBWDQGYMWKHM-RKDXNWHRSA-N 1 3 206.280 1.558 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000629553627 361439168 /nfs/dbraw/zinc/43/91/68/361439168.db2.gz BULVSWBRPDLIMS-WISYIIOYSA-N 1 3 212.337 1.128 20 0 BDADHO CC[C@@H](NC[C@H]1C[C@@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000629553931 361439551 /nfs/dbraw/zinc/43/95/51/361439551.db2.gz DTLQLNYDLLROSL-XQHKEYJVSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)[C@@H]1CCCN1 ZINC000629553931 361439556 /nfs/dbraw/zinc/43/95/56/361439556.db2.gz DTLQLNYDLLROSL-XQHKEYJVSA-N 1 3 226.364 1.532 20 0 BDADHO COCCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000629554354 361441405 /nfs/dbraw/zinc/44/14/05/361441405.db2.gz ZMCRYUXRLDYJFR-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CN(CCN[C@@H]1CCCC[C@@H]1C[NH3+])CC(F)F ZINC000629556772 361445480 /nfs/dbraw/zinc/44/54/80/361445480.db2.gz YLXRRIYRHZALLA-GHMZBOCLSA-N 1 3 249.349 1.290 20 0 BDADHO CN(CC[NH2+][C@@H]1CCCC[C@@H]1CN)CC(F)F ZINC000629556772 361445483 /nfs/dbraw/zinc/44/54/83/361445483.db2.gz YLXRRIYRHZALLA-GHMZBOCLSA-N 1 3 249.349 1.290 20 0 BDADHO Cc1ccc2c(c1)[C@H](NCCOCCC[NH3+])CC2 ZINC000629541490 361416716 /nfs/dbraw/zinc/41/67/16/361416716.db2.gz PHKQJDSSDJZTQT-OAHLLOKOSA-N 1 3 248.370 1.937 20 0 BDADHO Cc1cccc2c1CC[C@@H]2NCCOCCC[NH3+] ZINC000629542261 361419024 /nfs/dbraw/zinc/41/90/24/361419024.db2.gz XGQLADBIUCYYCM-HNNXBMFYSA-N 1 3 248.370 1.937 20 0 BDADHO Cc1cccc([C@@H](C)N(C)CCOCC[NH3+])c1 ZINC000629579908 361466264 /nfs/dbraw/zinc/46/62/64/361466264.db2.gz YAHYFZLJVXKNGL-CYBMUJFWSA-N 1 3 236.359 1.963 20 0 BDADHO CCc1cccc(CN(C)CCOCC[NH3+])c1 ZINC000629577816 361467999 /nfs/dbraw/zinc/46/79/99/361467999.db2.gz JTMWQYTVBUFYRH-UHFFFAOYSA-N 1 3 236.359 1.656 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@@H]1CCCO1)C2 ZINC000629596347 361483725 /nfs/dbraw/zinc/48/37/25/361483725.db2.gz XAJVSPUORZTSRE-MELADBBJSA-N 1 3 238.375 1.487 20 0 BDADHO CC[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C ZINC000629611889 361502568 /nfs/dbraw/zinc/50/25/68/361502568.db2.gz JHJQMBCUOLTVKZ-VXGBXAGGSA-N 1 3 243.395 1.158 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CC2=CCCOC2)C1 ZINC000629647017 361535764 /nfs/dbraw/zinc/53/57/64/361535764.db2.gz JHNJPXGLFFIOIC-CMPLNLGQSA-N 1 3 210.321 1.002 20 0 BDADHO Cn1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000629647230 361536320 /nfs/dbraw/zinc/53/63/20/361536320.db2.gz NONKBFWHJWHQJY-BFHYXJOUSA-N 1 3 233.359 1.584 20 0 BDADHO Cn1ccc(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000629654546 361558880 /nfs/dbraw/zinc/55/88/80/361558880.db2.gz QYTROBZBHXHMHV-ZDUSSCGKSA-N 1 3 221.348 1.728 20 0 BDADHO COC1(C[NH2+][C@H](C)CCN)CCCC1 ZINC000629647640 361538070 /nfs/dbraw/zinc/53/80/70/361538070.db2.gz COVKRFVDHAVLSW-SNVBAGLBSA-N 1 3 200.326 1.273 20 0 BDADHO C[C@@H]1CCN(Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648482 361540724 /nfs/dbraw/zinc/54/07/24/361540724.db2.gz PCWWUCKCESPWID-DGCLKSJQSA-N 1 3 221.348 1.442 20 0 BDADHO Cn1ccc(CN2CCC(CC[NH3+])CC2)c1 ZINC000629649459 361544958 /nfs/dbraw/zinc/54/49/58/361544958.db2.gz BEXDKDVAHMEIFT-UHFFFAOYSA-N 1 3 221.348 1.586 20 0 BDADHO COC1(CNCC[C@@H]([NH3+])C(C)C)CCCC1 ZINC000629649558 361545145 /nfs/dbraw/zinc/54/51/45/361545145.db2.gz CZZOIGROUBESTL-GFCCVEGCSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccn(C)c2)C1 ZINC000629652015 361549500 /nfs/dbraw/zinc/54/95/00/361549500.db2.gz SMRINGNBAKYAMF-AAEUAGOBSA-N 1 3 221.348 1.584 20 0 BDADHO N[C@@H](CO)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722915 361663876 /nfs/dbraw/zinc/66/38/76/361663876.db2.gz HPLLJMGTVOCBTD-ZDUSSCGKSA-N 1 3 218.300 1.055 20 0 BDADHO CCN(CCOCCOC)[C@@H]1CCC[NH2+]CC1 ZINC000435617731 201278692 /nfs/dbraw/zinc/27/86/92/201278692.db2.gz OEAQQZSTBWNMOH-CYBMUJFWSA-N 1 3 244.379 1.113 20 0 BDADHO CNCCC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000435873140 201293897 /nfs/dbraw/zinc/29/38/97/201293897.db2.gz TYHNYAPAZZVXPW-JSGCOSHPSA-N 1 3 242.407 1.763 20 0 BDADHO C[NH2+]CCCN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000435873140 201293900 /nfs/dbraw/zinc/29/39/00/201293900.db2.gz TYHNYAPAZZVXPW-JSGCOSHPSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741418 541306807 /nfs/dbraw/zinc/30/68/07/541306807.db2.gz DMDNMNNICLFFJB-CLPYTZEMSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741418 541306810 /nfs/dbraw/zinc/30/68/10/541306810.db2.gz DMDNMNNICLFFJB-CLPYTZEMSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CCOC[C@H]2C)C[NH2+]1 ZINC000398994713 364666405 /nfs/dbraw/zinc/66/64/05/364666405.db2.gz NYJFYALVTUUGMT-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000573914374 364943678 /nfs/dbraw/zinc/94/36/78/364943678.db2.gz ZUUZRLAKCDFDRH-BFHYXJOUSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)[C@@H](C)O)C1 ZINC000573914374 364943682 /nfs/dbraw/zinc/94/36/82/364943682.db2.gz ZUUZRLAKCDFDRH-BFHYXJOUSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)[C@@H](C)O)C1 ZINC000573914374 364943686 /nfs/dbraw/zinc/94/36/86/364943686.db2.gz ZUUZRLAKCDFDRH-BFHYXJOUSA-N 1 3 242.407 1.713 20 0 BDADHO CCOC[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000574084626 364983327 /nfs/dbraw/zinc/98/33/27/364983327.db2.gz PLBQRSQLMLIXLZ-LLVKDONJSA-N 1 3 222.332 1.660 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CCO[C@H]1c1ccccc1 ZINC000574519508 365080987 /nfs/dbraw/zinc/08/09/87/365080987.db2.gz OOQPSNWOSGZKHU-DRZSPHRISA-N 1 3 220.316 1.453 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000575071798 365188520 /nfs/dbraw/zinc/18/85/20/365188520.db2.gz HQHTYQKNDDHBSS-AGIUHOORSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000575071798 365188526 /nfs/dbraw/zinc/18/85/26/365188526.db2.gz HQHTYQKNDDHBSS-AGIUHOORSA-N 1 3 240.391 1.643 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000575882029 365404999 /nfs/dbraw/zinc/40/49/99/365404999.db2.gz GJWVMTQVHASRCB-XVIXHAIJSA-N 1 3 238.375 1.804 20 0 BDADHO COC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCO1 ZINC000576052484 365466412 /nfs/dbraw/zinc/46/64/12/365466412.db2.gz MDOXNXJTVIXZCC-QNWHQSFQSA-N 1 3 242.363 1.040 20 0 BDADHO CC[C@]1(C)CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000580897309 367202071 /nfs/dbraw/zinc/20/20/71/367202071.db2.gz KRYSHKHBYINUHI-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@]1(C)CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000580897309 367202074 /nfs/dbraw/zinc/20/20/74/367202074.db2.gz KRYSHKHBYINUHI-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@]1(C)CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000580897309 367202075 /nfs/dbraw/zinc/20/20/75/367202075.db2.gz KRYSHKHBYINUHI-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO Cc1n[nH]cc1CN1CCC(CC[NH3+])CC1 ZINC000581075818 367255983 /nfs/dbraw/zinc/25/59/83/367255983.db2.gz YIILGAKOUUFMOH-UHFFFAOYSA-N 1 3 222.336 1.279 20 0 BDADHO CC[NH+]1CCC(NCCOC(C)(C)C)CC1 ZINC000381314917 367379775 /nfs/dbraw/zinc/37/97/75/367379775.db2.gz MRCOVAQWJGVZCS-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO CN(CCC[NH3+])Cc1cccc(-n2cccn2)c1 ZINC000382055306 367483103 /nfs/dbraw/zinc/48/31/03/367483103.db2.gz GZFAVLFPWLZQBB-UHFFFAOYSA-N 1 3 244.342 1.653 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC(C(C)C)CC1 ZINC000581493701 367522951 /nfs/dbraw/zinc/52/29/51/367522951.db2.gz FHXQCKTVFZSALB-ZDUSSCGKSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC000581493701 367522956 /nfs/dbraw/zinc/52/29/56/367522956.db2.gz FHXQCKTVFZSALB-ZDUSSCGKSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000581613089 367634356 /nfs/dbraw/zinc/63/43/56/367634356.db2.gz QZUZEFKHISEELV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000581613089 367634362 /nfs/dbraw/zinc/63/43/62/367634362.db2.gz QZUZEFKHISEELV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384925801 367758837 /nfs/dbraw/zinc/75/88/37/367758837.db2.gz PRTFOQPPMZWRKC-FRRDWIJNSA-N 1 3 228.380 1.872 20 0 BDADHO C[C@@H]([NH2+]CCc1ccco1)[C@H]1CCCCN1 ZINC000386011378 367897821 /nfs/dbraw/zinc/89/78/21/367897821.db2.gz MRFPMACDHJDBBM-DGCLKSJQSA-N 1 3 222.332 1.942 20 0 BDADHO CCN(CCN[C@@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000386012159 367897852 /nfs/dbraw/zinc/89/78/52/367897852.db2.gz MVKMNGJPNPTNDX-JSGCOSHPSA-N 1 3 239.407 1.591 20 0 BDADHO COC[C@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386544404 367989215 /nfs/dbraw/zinc/98/92/15/367989215.db2.gz FFKBMRBVGSSJLW-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386544413 367990392 /nfs/dbraw/zinc/99/03/92/367990392.db2.gz FFKBMRBVGSSJLW-WOPDTQHZSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H](NCCC[C@H](C)CO)[C@@H]1CCCC[NH2+]1 ZINC000386592537 367997849 /nfs/dbraw/zinc/99/78/49/367997849.db2.gz RTIQGVUEINFNPF-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NCC1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386372886 367958377 /nfs/dbraw/zinc/95/83/77/367958377.db2.gz BOUWEMJSCVRNHN-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000253180065 368591076 /nfs/dbraw/zinc/59/10/76/368591076.db2.gz DGHGXRJPSCUGGR-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)COCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086402407 368879828 /nfs/dbraw/zinc/87/98/28/368879828.db2.gz WLONOFSUKCPRSY-CHWSQXEVSA-N 1 3 228.380 1.909 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656964 368997717 /nfs/dbraw/zinc/99/77/17/368997717.db2.gz GZCQFSISQPKPLW-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656964 368997722 /nfs/dbraw/zinc/99/77/22/368997722.db2.gz GZCQFSISQPKPLW-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656966 368997820 /nfs/dbraw/zinc/99/78/20/368997820.db2.gz GZCQFSISQPKPLW-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656966 368997823 /nfs/dbraw/zinc/99/78/23/368997823.db2.gz GZCQFSISQPKPLW-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830130 369007129 /nfs/dbraw/zinc/00/71/29/369007129.db2.gz KUCAIUNIYUAUTO-RFQIPJPRSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631837768 369101522 /nfs/dbraw/zinc/10/15/22/369101522.db2.gz WRMIZCRVWIEOLT-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1CN ZINC000631837768 369101526 /nfs/dbraw/zinc/10/15/26/369101526.db2.gz WRMIZCRVWIEOLT-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H]1CN ZINC000631837768 369101530 /nfs/dbraw/zinc/10/15/30/369101530.db2.gz WRMIZCRVWIEOLT-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)C[C@@H](C)O)C[C@@H]1C ZINC000459356911 203268713 /nfs/dbraw/zinc/26/87/13/203268713.db2.gz LNZMECABCNOBID-QJPTWQEYSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)C[C@@H](C)O)C[C@@H]1C ZINC000459356911 203268715 /nfs/dbraw/zinc/26/87/15/203268715.db2.gz LNZMECABCNOBID-QJPTWQEYSA-N 1 3 214.353 1.172 20 0 BDADHO CC[NH+](CC)CCCNC(C)(C)CN(C)C ZINC000459552280 203299663 /nfs/dbraw/zinc/29/96/63/203299663.db2.gz VDDQNDNMBBPDFS-UHFFFAOYSA-N 1 3 229.412 1.648 20 0 BDADHO Cc1cccnc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000404928344 369440490 /nfs/dbraw/zinc/44/04/90/369440490.db2.gz KKFGHUMLHPTFGX-QWHCGFSZSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000404928344 369440492 /nfs/dbraw/zinc/44/04/92/369440492.db2.gz KKFGHUMLHPTFGX-QWHCGFSZSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cccnc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000404928330 369440512 /nfs/dbraw/zinc/44/05/12/369440512.db2.gz KKFGHUMLHPTFGX-CHWSQXEVSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000404928330 369440515 /nfs/dbraw/zinc/44/05/15/369440515.db2.gz KKFGHUMLHPTFGX-CHWSQXEVSA-N 1 3 233.359 1.792 20 0 BDADHO CCn1cc(CC[N@H+](C)CC(C)(C)CN)cn1 ZINC000621774513 370520515 /nfs/dbraw/zinc/52/05/15/370520515.db2.gz WAHQDQSFDUCGIY-UHFFFAOYSA-N 1 3 238.379 1.362 20 0 BDADHO CCn1cc(CC[N@@H+](C)CC(C)(C)CN)cn1 ZINC000621774513 370520521 /nfs/dbraw/zinc/52/05/21/370520521.db2.gz WAHQDQSFDUCGIY-UHFFFAOYSA-N 1 3 238.379 1.362 20 0 BDADHO CCn1nccc1CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000621775371 370522886 /nfs/dbraw/zinc/52/28/86/370522886.db2.gz NBQWYIULHKTSBV-RYUDHWBXSA-N 1 3 236.363 1.115 20 0 BDADHO Cc1cc(CN2CCC(CC[NH3+])CC2)ccn1 ZINC000621776176 370524616 /nfs/dbraw/zinc/52/46/16/370524616.db2.gz DNNNAZSWDYCXBB-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(CCC1CCC1)C2 ZINC000621783440 370533881 /nfs/dbraw/zinc/53/38/81/370533881.db2.gz BLBYCVNFZMQEIT-STQMWFEESA-N 1 3 208.349 1.990 20 0 BDADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCOC2)C1 ZINC000624120632 371321911 /nfs/dbraw/zinc/32/19/11/371321911.db2.gz CYLSHPRAOFKQFR-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCCOC2)C1 ZINC000624120632 371321917 /nfs/dbraw/zinc/32/19/17/371321917.db2.gz CYLSHPRAOFKQFR-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000624122015 371323431 /nfs/dbraw/zinc/32/34/31/371323431.db2.gz ICDZMPQIUZSIAB-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)C1CCCC1 ZINC000631836620 372624806 /nfs/dbraw/zinc/62/48/06/372624806.db2.gz COURQZODCCVTPV-MRVWCRGKSA-N 1 3 240.391 1.718 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)C1CCCC1 ZINC000631836620 372624815 /nfs/dbraw/zinc/62/48/15/372624815.db2.gz COURQZODCCVTPV-MRVWCRGKSA-N 1 3 240.391 1.718 20 0 BDADHO [NH3+]CCOCCN1CCC(CCF)CC1 ZINC000631836706 372625610 /nfs/dbraw/zinc/62/56/10/372625610.db2.gz FKKFAWYUBYQPLK-UHFFFAOYSA-N 1 3 218.316 1.033 20 0 BDADHO COCCCCC[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867471 372669253 /nfs/dbraw/zinc/66/92/53/372669253.db2.gz AWYSKBCDRMNJOF-OLZOCXBDSA-N 1 3 226.364 1.535 20 0 BDADHO Nc1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889692 372685392 /nfs/dbraw/zinc/68/53/92/372685392.db2.gz LOZCJTGBPAKXPT-HIFRSBDPSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)c1 ZINC000631889692 372685394 /nfs/dbraw/zinc/68/53/94/372685394.db2.gz LOZCJTGBPAKXPT-HIFRSBDPSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@H+]2CCC[C@@H]3CNCC[C@@H]32)c1 ZINC000631889692 372685397 /nfs/dbraw/zinc/68/53/97/372685397.db2.gz LOZCJTGBPAKXPT-HIFRSBDPSA-N 1 3 245.370 1.843 20 0 BDADHO C[C@@H]1CC[N@@H+]([C@@H]2CCSC2)C[C@@H]1N ZINC000069718288 373643349 /nfs/dbraw/zinc/64/33/49/373643349.db2.gz GBAPNXRLFNLRTC-BBBLOLIVSA-N 1 3 200.351 1.161 20 0 BDADHO C[C@@H]1CC[N@H+]([C@@H]2CCSC2)C[C@@H]1N ZINC000069718288 373643359 /nfs/dbraw/zinc/64/33/59/373643359.db2.gz GBAPNXRLFNLRTC-BBBLOLIVSA-N 1 3 200.351 1.161 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CNCCCC1CCCCC1 ZINC000414773399 205771001 /nfs/dbraw/zinc/77/10/01/205771001.db2.gz AEFNRBHYTRSACE-UONOGXRCSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@H](N)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665923 206081402 /nfs/dbraw/zinc/08/14/02/206081402.db2.gz RKIYHBPHUINVLB-SWLSCSKDSA-N 1 3 248.370 1.706 20 0 BDADHO C[C@H](N)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665923 206081405 /nfs/dbraw/zinc/08/14/05/206081405.db2.gz RKIYHBPHUINVLB-SWLSCSKDSA-N 1 3 248.370 1.706 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336678676 169077614 /nfs/dbraw/zinc/07/76/14/169077614.db2.gz BVCSIWYCAVJHQS-ZDUSSCGKSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336678676 169077616 /nfs/dbraw/zinc/07/76/16/169077616.db2.gz BVCSIWYCAVJHQS-ZDUSSCGKSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(CCCC(=O)OC)C1CC[NH2+]CC1 ZINC000037538932 169153745 /nfs/dbraw/zinc/15/37/45/169153745.db2.gz BHRLSXVDEUNZKJ-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO CCC[N@H+](CCOCC)C1CCNCC1 ZINC000037993049 169168728 /nfs/dbraw/zinc/16/87/28/169168728.db2.gz FSJUEGGGCYDIIQ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CCC[N@@H+](CCOCC)C1CCNCC1 ZINC000037993049 169168729 /nfs/dbraw/zinc/16/87/29/169168729.db2.gz FSJUEGGGCYDIIQ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CCCN(CCOCC)C1CC[NH2+]CC1 ZINC000037993049 169168731 /nfs/dbraw/zinc/16/87/31/169168731.db2.gz FSJUEGGGCYDIIQ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000353518656 169207280 /nfs/dbraw/zinc/20/72/80/169207280.db2.gz LIZIVGJJDVZBCQ-IYXRBSQSSA-N 1 3 240.391 1.611 20 0 BDADHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092630163 169387235 /nfs/dbraw/zinc/38/72/35/169387235.db2.gz WIMMSFWAPMHUPL-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000092630163 169387236 /nfs/dbraw/zinc/38/72/36/169387236.db2.gz WIMMSFWAPMHUPL-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO COC(=O)CCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000226466844 134363653 /nfs/dbraw/zinc/36/36/53/134363653.db2.gz GLYAZBQYOWDDCS-LLVKDONJSA-N 1 3 228.336 1.014 20 0 BDADHO C[C@@H]([NH3+])CN1CCCN(Cc2ccccc2)CC1 ZINC000307656440 532962097 /nfs/dbraw/zinc/96/20/97/532962097.db2.gz QMGYJPMHCWELDN-CQSZACIVSA-N 1 3 247.386 1.542 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000226588254 134367257 /nfs/dbraw/zinc/36/72/57/134367257.db2.gz SPUHRECXDWQPIQ-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCCNCC1 ZINC000313106213 383886535 /nfs/dbraw/zinc/88/65/35/383886535.db2.gz XPMLWVKRLOQLHI-SRVKXCTJSA-N 1 3 214.353 1.268 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@H]1CCC[NH2+]CC1 ZINC000313106213 383886538 /nfs/dbraw/zinc/88/65/38/383886538.db2.gz XPMLWVKRLOQLHI-SRVKXCTJSA-N 1 3 214.353 1.268 20 0 BDADHO Cc1ccc(C[NH2+]C2CCNCC2)s1 ZINC000050225373 383979162 /nfs/dbraw/zinc/97/91/62/383979162.db2.gz JJOPPZUVXGQHBS-UHFFFAOYSA-N 1 3 210.346 1.898 20 0 BDADHO COC[C@@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000300056560 383974459 /nfs/dbraw/zinc/97/44/59/383974459.db2.gz LSUVDGXHOYKLNN-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000300056560 383974461 /nfs/dbraw/zinc/97/44/61/383974461.db2.gz LSUVDGXHOYKLNN-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H](CCCCO)N[C@@H]1CCCC[NH2+]C1 ZINC000643545296 384012365 /nfs/dbraw/zinc/01/23/65/384012365.db2.gz XCRRHTDUSAMKKE-NWDGAFQWSA-N 1 3 214.353 1.269 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccccc2O)C1 ZINC000518564397 384013278 /nfs/dbraw/zinc/01/32/78/384013278.db2.gz OCHCPCGKGAKXFA-OLZOCXBDSA-N 1 3 234.343 1.794 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564397 384013284 /nfs/dbraw/zinc/01/32/84/384013284.db2.gz OCHCPCGKGAKXFA-OLZOCXBDSA-N 1 3 234.343 1.794 20 0 BDADHO COCCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397326258 384082582 /nfs/dbraw/zinc/08/25/82/384082582.db2.gz ORZUOLYBNOORSX-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO COCCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397326258 384082590 /nfs/dbraw/zinc/08/25/90/384082590.db2.gz ORZUOLYBNOORSX-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO COCCCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397326258 384082599 /nfs/dbraw/zinc/08/25/99/384082599.db2.gz ORZUOLYBNOORSX-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO CN(C)C[C@H](NC(=O)CCC[NH3+])c1ccccc1 ZINC000040809096 384165507 /nfs/dbraw/zinc/16/55/07/384165507.db2.gz ZBWMIZZDBOBILC-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO C[C@@H](NC1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000335434667 384274473 /nfs/dbraw/zinc/27/44/73/384274473.db2.gz IWWYYBNJOCARRB-ZYHUDNBSSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)CCCN1CCCO[C@H](C[NH3+])C1 ZINC000313345929 384274748 /nfs/dbraw/zinc/27/47/48/384274748.db2.gz IZIXWHFTEOFAMC-GFCCVEGCSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCCC2)CO1 ZINC000401914278 384280548 /nfs/dbraw/zinc/28/05/48/384280548.db2.gz ZNEKANLIRNCGKF-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC000236238667 384286287 /nfs/dbraw/zinc/28/62/87/384286287.db2.gz SZGDAVAXPMSASG-NXEZZACHSA-N 1 3 236.306 1.375 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOCC(F)F ZINC000236238667 384286292 /nfs/dbraw/zinc/28/62/92/384286292.db2.gz SZGDAVAXPMSASG-NXEZZACHSA-N 1 3 236.306 1.375 20 0 BDADHO Cc1ccc(CN2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000228858807 384345707 /nfs/dbraw/zinc/34/57/07/384345707.db2.gz UYWHNJYQXAGSIS-ZDUSSCGKSA-N 1 3 233.359 1.951 20 0 BDADHO CSCCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000172629503 384393234 /nfs/dbraw/zinc/39/32/34/384393234.db2.gz NKENRNHYCOCTDA-LLVKDONJSA-N 1 3 216.394 1.623 20 0 BDADHO CSCCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172629503 384393240 /nfs/dbraw/zinc/39/32/40/384393240.db2.gz NKENRNHYCOCTDA-LLVKDONJSA-N 1 3 216.394 1.623 20 0 BDADHO CC(C)(CCO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622926 384395930 /nfs/dbraw/zinc/39/59/30/384395930.db2.gz GRIQLGRTLQTMKY-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(CCO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622926 384395937 /nfs/dbraw/zinc/39/59/37/384395937.db2.gz GRIQLGRTLQTMKY-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO CSCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000084222149 384376973 /nfs/dbraw/zinc/37/69/73/384376973.db2.gz LCQVAGOWDGZYGU-ZJUUUORDSA-N 1 3 202.367 1.457 20 0 BDADHO C[C@H]1OCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607345 384380339 /nfs/dbraw/zinc/38/03/39/384380339.db2.gz RBUFMAWUCXXHPJ-PWSUYJOCSA-N 1 3 210.321 1.015 20 0 BDADHO CC(C)C[C@H](C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300837275 384598027 /nfs/dbraw/zinc/59/80/27/384598027.db2.gz CTLKADREZREWTE-AVGNSLFASA-N 1 3 210.365 1.820 20 0 BDADHO CN(CC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000086638239 384672727 /nfs/dbraw/zinc/67/27/27/384672727.db2.gz KPIMPDLIJWATTK-NSHDSACASA-N 1 3 214.353 1.472 20 0 BDADHO COCCCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495099 384660069 /nfs/dbraw/zinc/66/00/69/384660069.db2.gz PIGAQTYFOWDENW-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cnccn1 ZINC000125360054 384710966 /nfs/dbraw/zinc/71/09/66/384710966.db2.gz GFFKTDDMDQOXFG-LBPRGKRZSA-N 1 3 248.374 1.859 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549876 384745990 /nfs/dbraw/zinc/74/59/90/384745990.db2.gz WKCWKXKITFJVCU-BFHYXJOUSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCCCN1 ZINC000335026800 384771605 /nfs/dbraw/zinc/77/16/05/384771605.db2.gz ALJPZWWIQNAQTD-AAEUAGOBSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]([NH2+]C1CCN(C)CC1)[C@H]1CCCCN1 ZINC000335026801 384772355 /nfs/dbraw/zinc/77/23/55/384772355.db2.gz ALJPZWWIQNAQTD-DGCLKSJQSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCCSC1)CN(C)C ZINC000308588398 384825201 /nfs/dbraw/zinc/82/52/01/384825201.db2.gz UATZGVUMTMKDEV-QWRGUYRKSA-N 1 3 216.394 1.669 20 0 BDADHO CC(C)C[C@H]([NH3+])CNCCCOC(C)C ZINC000107786165 384781660 /nfs/dbraw/zinc/78/16/60/384781660.db2.gz GSTSYTBCRJPRMR-LBPRGKRZSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCOC2)C[C@@H]1CN ZINC000397331973 384798161 /nfs/dbraw/zinc/79/81/61/384798161.db2.gz RHHZQBMFDJUKJK-XQHKEYJVSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCOC2)C[C@@H]1CN ZINC000397331973 384798169 /nfs/dbraw/zinc/79/81/69/384798169.db2.gz RHHZQBMFDJUKJK-XQHKEYJVSA-N 1 3 226.364 1.328 20 0 BDADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372216 384836561 /nfs/dbraw/zinc/83/65/61/384836561.db2.gz GXFAWKORQFTFES-AGIUHOORSA-N 1 3 236.363 1.731 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335644682 384805968 /nfs/dbraw/zinc/80/59/68/384805968.db2.gz XHNNNMJTVOQMFI-SMDDNHRTSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403530094 384808813 /nfs/dbraw/zinc/80/88/13/384808813.db2.gz NVSKWQQWJTYPIJ-KVSVUVNWSA-N 1 3 208.349 1.844 20 0 BDADHO C[NH+]1CCC(CCNCc2cc[nH]n2)CC1 ZINC000105454127 384870181 /nfs/dbraw/zinc/87/01/81/384870181.db2.gz QYFOLDGBPOSRDX-UHFFFAOYSA-N 1 3 222.336 1.231 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOC(F)(F)F ZINC000398258116 384870753 /nfs/dbraw/zinc/87/07/53/384870753.db2.gz RNGIGEMYBRRPAL-SFYZADRCSA-N 1 3 226.242 1.240 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000398258116 384870757 /nfs/dbraw/zinc/87/07/57/384870757.db2.gz RNGIGEMYBRRPAL-SFYZADRCSA-N 1 3 226.242 1.240 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[C@H]1C1CC1 ZINC000423363677 384840771 /nfs/dbraw/zinc/84/07/71/384840771.db2.gz UVWDXGNQIWFQFI-FRRDWIJNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCCCN1 ZINC000398209393 384844307 /nfs/dbraw/zinc/84/43/07/384844307.db2.gz DCRIHPLZLGOZMT-BDAKNGLRSA-N 1 3 240.269 1.643 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000234623530 384891316 /nfs/dbraw/zinc/89/13/16/384891316.db2.gz ZLLBIQTZYZHOSA-VXGBXAGGSA-N 1 3 214.353 1.520 20 0 BDADHO C[C@@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000644513872 384916373 /nfs/dbraw/zinc/91/63/73/384916373.db2.gz ZSQCXDIVXCUYFV-CYBMUJFWSA-N 1 3 248.370 1.753 20 0 BDADHO CCc1ccc(CC[N@H+](C)C[C@@H](O)CN)cc1 ZINC000258822849 384941517 /nfs/dbraw/zinc/94/15/17/384941517.db2.gz CXKZICUFHIHECF-AWEZNQCLSA-N 1 3 236.359 1.043 20 0 BDADHO CCc1ccc(CC[N@@H+](C)C[C@@H](O)CN)cc1 ZINC000258822849 384941523 /nfs/dbraw/zinc/94/15/23/384941523.db2.gz CXKZICUFHIHECF-AWEZNQCLSA-N 1 3 236.359 1.043 20 0 BDADHO C(N[C@H]1CC[C@@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491438 385000178 /nfs/dbraw/zinc/00/01/78/385000178.db2.gz JQYDPOXPUSZLQU-UPJWGTAASA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H](O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000226437506 385019998 /nfs/dbraw/zinc/01/99/98/385019998.db2.gz FFDBCCRFMOCKGP-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H](O)C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000226437506 385020004 /nfs/dbraw/zinc/02/00/04/385020004.db2.gz FFDBCCRFMOCKGP-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](NCC(C)(C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000336644719 385053051 /nfs/dbraw/zinc/05/30/51/385053051.db2.gz CMQNKFNDYFPBAI-RYUDHWBXSA-N 1 3 228.380 1.731 20 0 BDADHO CN(CCN(C)C1CC1)C(=O)CCC(C)(C)[NH3+] ZINC000648165858 385074475 /nfs/dbraw/zinc/07/44/75/385074475.db2.gz MUGBIAJMCKGQAV-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206348 385026607 /nfs/dbraw/zinc/02/66/07/385026607.db2.gz PSRFCCHJSYWWHR-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)CO1 ZINC000647206348 385026611 /nfs/dbraw/zinc/02/66/11/385026611.db2.gz PSRFCCHJSYWWHR-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCC[C@H]1N ZINC000422721407 385201204 /nfs/dbraw/zinc/20/12/04/385201204.db2.gz VHVQBAKZFMANTR-TUAOUCFPSA-N 1 3 213.369 1.186 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644727902 385180351 /nfs/dbraw/zinc/18/03/51/385180351.db2.gz CSQHWKWOULPAGS-ZIAGYGMSSA-N 1 3 248.374 1.218 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644727902 385180357 /nfs/dbraw/zinc/18/03/57/385180357.db2.gz CSQHWKWOULPAGS-ZIAGYGMSSA-N 1 3 248.374 1.218 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000252712655 385210202 /nfs/dbraw/zinc/21/02/02/385210202.db2.gz MZQCBTLRXTZREW-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)CNCC2CC2)cc1 ZINC000178227512 385210857 /nfs/dbraw/zinc/21/08/57/385210857.db2.gz YNRPUPYDKHBIJD-SNVBAGLBSA-N 1 3 247.342 1.644 20 0 BDADHO CC(C)[C@@H](CO)[NH2+]CC[C@H]1CCCN1C ZINC000308850115 385210964 /nfs/dbraw/zinc/21/09/64/385210964.db2.gz NXWSYUHWDHIVPG-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)c1ccc(CN(C)C)cc1 ZINC000647069311 385215895 /nfs/dbraw/zinc/21/58/95/385215895.db2.gz NYXLFYSIXYBZGC-ZDUSSCGKSA-N 1 3 249.358 1.215 20 0 BDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076332 385233851 /nfs/dbraw/zinc/23/38/51/385233851.db2.gz ZKIVUGSNIMPRNC-ZANVPECISA-N 1 3 245.326 1.226 20 0 BDADHO COC[C@H](C)CN(C1CC1)C1CC[NH2+]CC1 ZINC000647482554 385205212 /nfs/dbraw/zinc/20/52/12/385205212.db2.gz PCXBGTYFUSXCHP-LLVKDONJSA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]CC1CCN(Cc2[nH]ncc2C)CC1 ZINC000647494287 385335917 /nfs/dbraw/zinc/33/59/17/385335917.db2.gz UNJUKGHGTJAZCI-UHFFFAOYSA-N 1 3 222.336 1.150 20 0 BDADHO CNCc1ccccc1NC(=O)CC(C)(C)[NH3+] ZINC000647655243 385345270 /nfs/dbraw/zinc/34/52/70/385345270.db2.gz RHXPXRYNWQPPBB-UHFFFAOYSA-N 1 3 235.331 1.472 20 0 BDADHO C[C@@H](O)CC[N@H+](C)CCCN1CCCC1 ZINC000120590289 385363507 /nfs/dbraw/zinc/36/35/07/385363507.db2.gz LUXXPNCMTHHOSC-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO C[C@@H](O)CC[N@@H+](C)CCCN1CCCC1 ZINC000120590289 385363508 /nfs/dbraw/zinc/36/35/08/385363508.db2.gz LUXXPNCMTHHOSC-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO c1ncc(CNCCC[C@@H]2CCC[NH2+]2)s1 ZINC000309018148 385372963 /nfs/dbraw/zinc/37/29/63/385372963.db2.gz VLBBDIJSOIPRIB-SNVBAGLBSA-N 1 3 225.361 1.765 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOCc1ccccc1 ZINC000405237790 385391024 /nfs/dbraw/zinc/39/10/24/385391024.db2.gz URADVVMSVBHESR-KBPBESRZSA-N 1 3 248.370 1.919 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000405237790 385391029 /nfs/dbraw/zinc/39/10/29/385391029.db2.gz URADVVMSVBHESR-KBPBESRZSA-N 1 3 248.370 1.919 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOCc1ccccc1 ZINC000405237792 385391684 /nfs/dbraw/zinc/39/16/84/385391684.db2.gz URADVVMSVBHESR-KGLIPLIRSA-N 1 3 248.370 1.919 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000405237792 385391687 /nfs/dbraw/zinc/39/16/87/385391687.db2.gz URADVVMSVBHESR-KGLIPLIRSA-N 1 3 248.370 1.919 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCC[C@@H]1CCCCO1 ZINC000405249347 385399167 /nfs/dbraw/zinc/39/91/67/385399167.db2.gz IZBUJABJPKLUGP-TUAOUCFPSA-N 1 3 226.364 1.661 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCC[C@H]1CCCCO1 ZINC000405249348 385399843 /nfs/dbraw/zinc/39/98/43/385399843.db2.gz IZBUJABJPKLUGP-UTUOFQBUSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])C2(C)C)O1 ZINC000405287714 385448663 /nfs/dbraw/zinc/44/86/63/385448663.db2.gz HIORGWXNWOFIDT-DBIOUOCHSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](N)C2(C)C)O1 ZINC000405287714 385448665 /nfs/dbraw/zinc/44/86/65/385448665.db2.gz HIORGWXNWOFIDT-DBIOUOCHSA-N 1 3 212.337 1.269 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCCO1 ZINC000183278289 385515484 /nfs/dbraw/zinc/51/54/84/385515484.db2.gz RJEBIOWCSMYDON-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183278289 385515487 /nfs/dbraw/zinc/51/54/87/385515487.db2.gz RJEBIOWCSMYDON-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000319097774 385543677 /nfs/dbraw/zinc/54/36/77/385543677.db2.gz WAQQDGXQDHINTG-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNC[C@@](C)(CC)OC)C1 ZINC000319097774 385543680 /nfs/dbraw/zinc/54/36/80/385543680.db2.gz WAQQDGXQDHINTG-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@H+]1CC[C@@H](CNC[C@@](C)(CC)OC)C1 ZINC000319097774 385543686 /nfs/dbraw/zinc/54/36/86/385543686.db2.gz WAQQDGXQDHINTG-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](O)CCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000309409205 385572678 /nfs/dbraw/zinc/57/26/78/385572678.db2.gz WJTIXTVFACKOHE-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](O)CCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000309409205 385572681 /nfs/dbraw/zinc/57/26/81/385572681.db2.gz WJTIXTVFACKOHE-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO FCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336680071 385626196 /nfs/dbraw/zinc/62/61/96/385626196.db2.gz IUDCCRMJPNSTKJ-NWDGAFQWSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336680071 385626200 /nfs/dbraw/zinc/62/62/00/385626200.db2.gz IUDCCRMJPNSTKJ-NWDGAFQWSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000336680071 385626204 /nfs/dbraw/zinc/62/62/04/385626204.db2.gz IUDCCRMJPNSTKJ-NWDGAFQWSA-N 1 3 214.328 1.953 20 0 BDADHO CCOC[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414848327 385612938 /nfs/dbraw/zinc/61/29/38/385612938.db2.gz GNRNRJKOQLVXAH-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000414848327 385612945 /nfs/dbraw/zinc/61/29/45/385612945.db2.gz GNRNRJKOQLVXAH-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000336684388 385672403 /nfs/dbraw/zinc/67/24/03/385672403.db2.gz JYCNMLCZLYNURH-MNOVXSKESA-N 1 3 202.317 1.843 20 0 BDADHO CCOC[C@@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853410 385689688 /nfs/dbraw/zinc/68/96/88/385689688.db2.gz SINIOBBQZSYJCN-DGCLKSJQSA-N 1 3 228.380 1.909 20 0 BDADHO CN(CCCCCO)C[C@]1(C)CC[NH2+]C1 ZINC000336691931 385728810 /nfs/dbraw/zinc/72/88/10/385728810.db2.gz KVPIGWSDNAXDBR-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CNCCC[NH2+][C@H](C)CCC(F)(F)F ZINC000414858794 385737138 /nfs/dbraw/zinc/73/71/38/385737138.db2.gz LLSXQIKWVPYPHY-MRVPVSSYSA-N 1 3 212.259 1.917 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414861816 385746957 /nfs/dbraw/zinc/74/69/57/385746957.db2.gz GKFSYMGBLJGENX-XQQFMLRXSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414861814 385747402 /nfs/dbraw/zinc/74/74/02/385747402.db2.gz GKFSYMGBLJGENX-UPJWGTAASA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000414944354 385777550 /nfs/dbraw/zinc/77/75/50/385777550.db2.gz NSMTXEWTVCRCMK-VNHYZAJKSA-N 1 3 247.386 1.444 20 0 BDADHO CCC[NH2+]CCNC1CCC(C(=O)OC)CC1 ZINC000414866438 385783033 /nfs/dbraw/zinc/78/30/33/385783033.db2.gz GWQOQDXCNDCSEF-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414945410 385799324 /nfs/dbraw/zinc/79/93/24/385799324.db2.gz RLOWHUKRHRQPFP-YNEHKIRRSA-N 1 3 228.380 1.779 20 0 BDADHO CCCC[C@H](COC)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945410 385799327 /nfs/dbraw/zinc/79/93/27/385799327.db2.gz RLOWHUKRHRQPFP-YNEHKIRRSA-N 1 3 228.380 1.779 20 0 BDADHO CCOCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397307856 385816600 /nfs/dbraw/zinc/81/66/00/385816600.db2.gz HTLFHJKDZMOTFV-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000647804447 385840332 /nfs/dbraw/zinc/84/03/32/385840332.db2.gz QUPINFOYENDECL-AATLWQCWSA-N 1 3 200.351 1.350 20 0 BDADHO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)[C@@H]1CCCCN1 ZINC000647804201 385840930 /nfs/dbraw/zinc/84/09/30/385840930.db2.gz LITXSXRJVJBONK-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H](C(=O)NC(C)(C)C[NH3+])[C@@H](N)c1ccccc1 ZINC000262499624 385852939 /nfs/dbraw/zinc/85/29/39/385852939.db2.gz GECCTSBMHBXJJA-ZYHUDNBSSA-N 1 3 249.358 1.176 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638076851 385795171 /nfs/dbraw/zinc/79/51/71/385795171.db2.gz OBZDSSFSPVZXKL-LBPRGKRZSA-N 1 3 235.331 1.171 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638076851 385795178 /nfs/dbraw/zinc/79/51/78/385795178.db2.gz OBZDSSFSPVZXKL-LBPRGKRZSA-N 1 3 235.331 1.171 20 0 BDADHO Cc1ccc(CCC[NH2+][C@@H]2CCNC[C@@H]2C)cn1 ZINC000414946347 385797656 /nfs/dbraw/zinc/79/76/56/385797656.db2.gz TVKDOWBRXDIPJN-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](N)c1ccccc1 ZINC000262575471 385861777 /nfs/dbraw/zinc/86/17/77/385861777.db2.gz JDYUJGKJNTURTQ-GXTWGEPZSA-N 1 3 249.358 1.320 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000647827194 385877039 /nfs/dbraw/zinc/87/70/39/385877039.db2.gz VRZCSGFFYLMHKL-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000647827194 385877042 /nfs/dbraw/zinc/87/70/42/385877042.db2.gz VRZCSGFFYLMHKL-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000647827194 385877047 /nfs/dbraw/zinc/87/70/47/385877047.db2.gz VRZCSGFFYLMHKL-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO [NH3+]C[C@H]1CCN(CCCc2ccncc2)C1 ZINC000647830268 385879465 /nfs/dbraw/zinc/87/94/65/385879465.db2.gz FHXHGTSXWNMGJJ-CYBMUJFWSA-N 1 3 219.332 1.295 20 0 BDADHO Cc1ccc(CCC[NH2+]C[C@H](C)CN)cn1 ZINC000414878633 385935074 /nfs/dbraw/zinc/93/50/74/385935074.db2.gz OMWIILVXJAEVQX-LLVKDONJSA-N 1 3 221.348 1.507 20 0 BDADHO CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053675 385953764 /nfs/dbraw/zinc/95/37/64/385953764.db2.gz ZPOKPGKYOGWIPM-JSGCOSHPSA-N 1 3 232.327 1.852 20 0 BDADHO Cc1ccc(NC(=O)[C@H](C)C[NH3+])c(CN(C)C)c1 ZINC000285793996 385964938 /nfs/dbraw/zinc/96/49/38/385964938.db2.gz PEFWRDCTZGJNPF-LLVKDONJSA-N 1 3 249.358 1.590 20 0 BDADHO Cn1cnc2cc(C[NH2+]C[C@@H](N)C3CC3)ccc21 ZINC000414882148 386006819 /nfs/dbraw/zinc/00/68/19/386006819.db2.gz BQQFYFSERYJEJU-GFCCVEGCSA-N 1 3 244.342 1.400 20 0 BDADHO CC[NH+](CC)CCCN[C@@]1(C)CCO[C@H]1C ZINC000336751880 386012624 /nfs/dbraw/zinc/01/26/24/386012624.db2.gz DBAUHVQSBYTUNB-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000336751880 386012629 /nfs/dbraw/zinc/01/26/29/386012629.db2.gz DBAUHVQSBYTUNB-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)CCO1 ZINC000335064054 386034906 /nfs/dbraw/zinc/03/49/06/386034906.db2.gz RSYXANPLRQDXRE-XHDPSFHLSA-N 1 3 246.354 1.947 20 0 BDADHO CC(C)[N@H+](C)CCNC(=O)C1(N)CCCCC1 ZINC000054133536 386109994 /nfs/dbraw/zinc/10/99/94/386109994.db2.gz IHDZHVKVRMFEIA-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)[N@@H+](C)CCNC(=O)C1(N)CCCCC1 ZINC000054133536 386109997 /nfs/dbraw/zinc/10/99/97/386109997.db2.gz IHDZHVKVRMFEIA-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000365384067 386072152 /nfs/dbraw/zinc/07/21/52/386072152.db2.gz JNAJBRNAHHZNOH-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCNC2)CCO1 ZINC000414892760 386154705 /nfs/dbraw/zinc/15/47/05/386154705.db2.gz YIGZYLQZMDPUTK-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H](O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000338953700 386184838 /nfs/dbraw/zinc/18/48/38/386184838.db2.gz KJAPVVDGHRGWQN-ZDUSSCGKSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000414988083 386126519 /nfs/dbraw/zinc/12/65/19/386126519.db2.gz LEEGODAJUCERBA-LBPRGKRZSA-N 1 3 222.332 1.831 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@]1(C)CCCO1 ZINC000340530974 386143524 /nfs/dbraw/zinc/14/35/24/386143524.db2.gz INNJTWRUIOLIJQ-JSGCOSHPSA-N 1 3 238.375 1.796 20 0 BDADHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN)C1(C)C ZINC000414697225 386202530 /nfs/dbraw/zinc/20/25/30/386202530.db2.gz IGYCNKWIUHCCRJ-WDEREUQCSA-N 1 3 214.353 1.471 20 0 BDADHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN)C1(C)C ZINC000414697225 386202533 /nfs/dbraw/zinc/20/25/33/386202533.db2.gz IGYCNKWIUHCCRJ-WDEREUQCSA-N 1 3 214.353 1.471 20 0 BDADHO CN(C)CCN1CCC([NH2+]CC2(F)CC2)CC1 ZINC000525981863 386209871 /nfs/dbraw/zinc/20/98/71/386209871.db2.gz ANCPLOKEQTXJJM-UHFFFAOYSA-N 1 3 243.370 1.104 20 0 BDADHO CN(C[C@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000647881636 386213188 /nfs/dbraw/zinc/21/31/88/386213188.db2.gz XNDCZTMOHWKTMJ-LBPRGKRZSA-N 1 3 230.355 1.695 20 0 BDADHO [NH3+]CCCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000414704151 386213913 /nfs/dbraw/zinc/21/39/13/386213913.db2.gz JKJIFXOMVPDFIQ-JSGCOSHPSA-N 1 3 237.391 1.284 20 0 BDADHO CCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125254942 386238177 /nfs/dbraw/zinc/23/81/77/386238177.db2.gz DPBFKFOMSOCFDY-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@H]1CCOC1 ZINC000162760660 386257920 /nfs/dbraw/zinc/25/79/20/386257920.db2.gz RBZLZAAZDBDVEM-AVGNSLFASA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@@H]1C[C@@H](N(C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647886672 386299621 /nfs/dbraw/zinc/29/96/21/386299621.db2.gz HDTOPBWGMPDFNO-YNEHKIRRSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H]1C[C@H](CN2CCOCC23CCC3)CC[NH2+]1 ZINC000335260615 386317893 /nfs/dbraw/zinc/31/78/93/386317893.db2.gz ZKUXYCNXZXDZAQ-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)C[C@@H](N)C[NH+]1CCC(CCCO)CC1 ZINC000414746636 386346337 /nfs/dbraw/zinc/34/63/37/386346337.db2.gz SNSVICWDPOLZRH-CQSZACIVSA-N 1 3 242.407 1.844 20 0 BDADHO Cc1c[nH]nc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000414742907 386330401 /nfs/dbraw/zinc/33/04/01/386330401.db2.gz UQKVXOMJVGDKIO-NSHDSACASA-N 1 3 222.336 1.279 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)CCN)C2 ZINC000414903377 386333456 /nfs/dbraw/zinc/33/34/56/386333456.db2.gz ZNSJHZJWIXPIIA-WCQYABFASA-N 1 3 248.370 1.879 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN(C)CC1CCCCC1 ZINC000519411365 386436852 /nfs/dbraw/zinc/43/68/52/386436852.db2.gz CHWPVKJNWTZWGO-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)[C@H](C)[C@@H]1C ZINC000414754617 386397378 /nfs/dbraw/zinc/39/73/78/386397378.db2.gz GILNVYLFAJETRO-AGIUHOORSA-N 1 3 227.396 1.384 20 0 BDADHO CCC[C@@]1(CO)CCCN1C[C@@H]([NH3+])CC(C)C ZINC000414756514 386400419 /nfs/dbraw/zinc/40/04/19/386400419.db2.gz JXGDUYUMNZEIAX-KBPBESRZSA-N 1 3 242.407 1.987 20 0 BDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CC1(O)CCC1 ZINC000336713551 386428948 /nfs/dbraw/zinc/42/89/48/386428948.db2.gz PUHPKFMATMKKQU-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@@H]1CCCC[N@H+]1C)CC1(O)CCC1 ZINC000336713551 386428951 /nfs/dbraw/zinc/42/89/51/386428951.db2.gz PUHPKFMATMKKQU-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO Cc1ncsc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000391204695 386481972 /nfs/dbraw/zinc/48/19/72/386481972.db2.gz ZHADTGRMVYDSQH-WDEREUQCSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncsc1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000391204695 386481973 /nfs/dbraw/zinc/48/19/73/386481973.db2.gz ZHADTGRMVYDSQH-WDEREUQCSA-N 1 3 239.388 1.711 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000415011145 386484620 /nfs/dbraw/zinc/48/46/20/386484620.db2.gz QGDSSTSRHXWITB-NXEZZACHSA-N 1 3 235.331 1.470 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000415011147 386485190 /nfs/dbraw/zinc/48/51/90/386485190.db2.gz QGDSSTSRHXWITB-UWVGGRQHSA-N 1 3 235.331 1.470 20 0 BDADHO CCc1cnc(CN[C@@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415042409 386529942 /nfs/dbraw/zinc/52/99/42/386529942.db2.gz QSJZTLATNSEPBO-VHSXEESVSA-N 1 3 239.388 1.923 20 0 BDADHO Cc1c[nH]nc1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415023815 386514300 /nfs/dbraw/zinc/51/43/00/386514300.db2.gz MBYRZGXNGSITTN-HAQNSBGRSA-N 1 3 236.363 1.573 20 0 BDADHO C[C@H](CCC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000415029357 386517430 /nfs/dbraw/zinc/51/74/30/386517430.db2.gz AVCCEUWBIOPDPO-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415032527 386518448 /nfs/dbraw/zinc/51/84/48/386518448.db2.gz HNESXFNWAUTKHY-SPWCGHHHSA-N 1 3 230.355 1.988 20 0 BDADHO CC[C@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415032526 386519149 /nfs/dbraw/zinc/51/91/49/386519149.db2.gz HNESXFNWAUTKHY-RZFFKMDDSA-N 1 3 230.355 1.988 20 0 BDADHO FC(F)(F)[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415030205 386519444 /nfs/dbraw/zinc/51/94/44/386519444.db2.gz DQBRZGWVIKRXSI-APLZJWDSSA-N 1 3 248.292 1.915 20 0 BDADHO C1CC1[C@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032020 386519682 /nfs/dbraw/zinc/51/96/82/386519682.db2.gz GYIQKMBPLKJSFE-QSLWVIQJSA-N 1 3 220.360 1.763 20 0 BDADHO CC(C)CC[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000415033171 386521368 /nfs/dbraw/zinc/52/13/68/386521368.db2.gz GQIIZVIDJNEAJK-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)(C)CCNC[C@@H]1C[NH2+]CCCO1 ZINC000415039961 386526876 /nfs/dbraw/zinc/52/68/76/386526876.db2.gz NSAWJRKLPQCNFI-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1C[C@@H](CN(C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770219 386454934 /nfs/dbraw/zinc/45/49/34/386454934.db2.gz XVGDKWXUCNRTSF-NEPJUHHUSA-N 1 3 236.363 1.240 20 0 BDADHO CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000395208754 386460709 /nfs/dbraw/zinc/46/07/09/386460709.db2.gz ZTMJAZQUZSHAJG-VXGBXAGGSA-N 1 3 241.379 1.023 20 0 BDADHO C[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)CN(C)C ZINC000291742314 386576144 /nfs/dbraw/zinc/57/61/44/386576144.db2.gz OZCYCYFPLACQLY-LLVKDONJSA-N 1 3 246.358 1.850 20 0 BDADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414798285 386583273 /nfs/dbraw/zinc/58/32/73/386583273.db2.gz QBTFJVIPLGVTBW-QWHCGFSZSA-N 1 3 247.342 1.003 20 0 BDADHO COc1cccc(CCCNCC(C)(C)[NH3+])c1 ZINC000415078539 386586489 /nfs/dbraw/zinc/58/64/89/386586489.db2.gz IVACJSRFISZJAM-UHFFFAOYSA-N 1 3 236.359 1.955 20 0 BDADHO OCCC1(C[NH2+]C[C@@H]2CCCNC2)CCCC1 ZINC000415079596 386591229 /nfs/dbraw/zinc/59/12/29/386591229.db2.gz ILJWEQOCJLWIKI-CYBMUJFWSA-N 1 3 240.391 1.518 20 0 BDADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)c1ccccc1 ZINC000415046624 386531283 /nfs/dbraw/zinc/53/12/83/386531283.db2.gz XQRYLJLGGCXITH-VEESAYDSSA-N 1 3 230.355 1.986 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+]C[C@@H](N)C(C)C)cc1 ZINC000414789965 386543797 /nfs/dbraw/zinc/54/37/97/386543797.db2.gz GCUMDESEXONOCB-CQSZACIVSA-N 1 3 249.358 1.718 20 0 BDADHO CCN1CCC([NH2+][C@@H](CN)C2CCCC2)CC1 ZINC000415064497 386544054 /nfs/dbraw/zinc/54/40/54/386544054.db2.gz KUKPAMFSNNUZTH-AWEZNQCLSA-N 1 3 239.407 1.578 20 0 BDADHO Cn1cncc1C[NH2+][C@H](CN)C1CCCC1 ZINC000415063722 386545470 /nfs/dbraw/zinc/54/54/70/386545470.db2.gz IYPKACLDSCKWDE-GFCCVEGCSA-N 1 3 222.336 1.027 20 0 BDADHO CC(C)[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415065917 386547105 /nfs/dbraw/zinc/54/71/05/386547105.db2.gz SPXAUKPIEYFLBM-BNDIWNMDSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@@H](Cc1ccccc1)CN(C)C[C@H](O)C[NH3+] ZINC000415068003 386552220 /nfs/dbraw/zinc/55/22/20/386552220.db2.gz LXWYNIGBTQBTJK-GXTWGEPZSA-N 1 3 236.359 1.117 20 0 BDADHO c1ccc2c(c1)CC[C@@H](NC[C@@H]1CC[NH2+]C1)CO2 ZINC000335496849 386621247 /nfs/dbraw/zinc/62/12/47/386621247.db2.gz QGBFXDBGARQMLW-TZMCWYRMSA-N 1 3 246.354 1.579 20 0 BDADHO C[NH2+]CCCN(C)C[C@H](C)CC1CCOCC1 ZINC000415139522 386633779 /nfs/dbraw/zinc/63/37/79/386633779.db2.gz XHQUEBPXSFYDAE-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO CNCCC[N@H+](C)C[C@H](C)CC1CCOCC1 ZINC000415139522 386633783 /nfs/dbraw/zinc/63/37/83/386633783.db2.gz XHQUEBPXSFYDAE-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO CNCCC[N@@H+](C)C[C@H](C)CC1CCOCC1 ZINC000415139522 386633787 /nfs/dbraw/zinc/63/37/87/386633787.db2.gz XHQUEBPXSFYDAE-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO CN(C)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000414803364 386599916 /nfs/dbraw/zinc/59/99/16/386599916.db2.gz WPFDEPLHROQJER-STQMWFEESA-N 1 3 248.374 1.365 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1CCO[C@@H]1C ZINC000414801950 386604126 /nfs/dbraw/zinc/60/41/26/386604126.db2.gz AUIJRCMBYRZIAU-ZJUUUORDSA-N 1 3 200.326 1.271 20 0 BDADHO C(N[C@H]1CCC12CCCC2)[C@H]1C[NH2+]CCCO1 ZINC000335488142 386604965 /nfs/dbraw/zinc/60/49/65/386604965.db2.gz NDZJFUXYKGSFSG-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO COC[C@@H](CC(C)C)N[C@@H](C[NH3+])C1CC1 ZINC000414805704 386606314 /nfs/dbraw/zinc/60/63/14/386606314.db2.gz MKLXDWBAKVTFQP-NEPJUHHUSA-N 1 3 214.353 1.374 20 0 BDADHO COc1cccc(C[C@H](C)NCC[C@H](C)[NH3+])n1 ZINC000414819912 386660349 /nfs/dbraw/zinc/66/03/49/386660349.db2.gz IQNKRHDSRRAKFV-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]CC[C@H](C)N)n1 ZINC000414819912 386660353 /nfs/dbraw/zinc/66/03/53/386660353.db2.gz IQNKRHDSRRAKFV-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN(C)C ZINC000425928832 386668043 /nfs/dbraw/zinc/66/80/43/386668043.db2.gz WESTWERXZXOYMY-MELADBBJSA-N 1 3 242.407 1.979 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CNCC[C@H]1CCOC1 ZINC000414926794 386674119 /nfs/dbraw/zinc/67/41/19/386674119.db2.gz KYANXPBBAVGBEQ-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO CNC[C@H](C)C[NH2+]CC(C)(C)COC ZINC000414831144 386709775 /nfs/dbraw/zinc/70/97/75/386709775.db2.gz CBHIKPVDAVWUMK-JTQLQIEISA-N 1 3 202.342 1.104 20 0 BDADHO C[NH2+]C[C@H](C)CNCC(C)(C)COC ZINC000414831144 386709782 /nfs/dbraw/zinc/70/97/82/386709782.db2.gz CBHIKPVDAVWUMK-JTQLQIEISA-N 1 3 202.342 1.104 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000335468117 386684469 /nfs/dbraw/zinc/68/44/69/386684469.db2.gz LDKVJQNAXFCYSV-RNCFNFMXSA-N 1 3 220.316 1.706 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNC[C@@H](N)c1ccccc1 ZINC000414828075 386698491 /nfs/dbraw/zinc/69/84/91/386698491.db2.gz IINHLBDWSCSIHN-ZIAGYGMSSA-N 1 3 235.375 1.649 20 0 BDADHO C[N@H+](CCCN1CCCC1)CC1(C)COC1 ZINC000337284597 386702809 /nfs/dbraw/zinc/70/28/09/386702809.db2.gz ZCKQDGFHBBNRCF-UHFFFAOYSA-N 1 3 226.364 1.441 20 0 BDADHO C[N@@H+](CCCN1CCCC1)CC1(C)COC1 ZINC000337284597 386702812 /nfs/dbraw/zinc/70/28/12/386702812.db2.gz ZCKQDGFHBBNRCF-UHFFFAOYSA-N 1 3 226.364 1.441 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@H](CN)C1CCCCC1 ZINC000414830065 386706880 /nfs/dbraw/zinc/70/68/80/386706880.db2.gz ALHYVZQBWZUOBW-UONOGXRCSA-N 1 3 241.423 1.857 20 0 BDADHO C[C@@H](N[C@H]1CCCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000335480955 386707367 /nfs/dbraw/zinc/70/73/67/386707367.db2.gz OMWXPQCEMDPECQ-BMIGLBTASA-N 1 3 245.370 1.844 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C1CNC1 ZINC000335480955 386707377 /nfs/dbraw/zinc/70/73/77/386707377.db2.gz OMWXPQCEMDPECQ-BMIGLBTASA-N 1 3 245.370 1.844 20 0 BDADHO CCOC[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414836797 386731515 /nfs/dbraw/zinc/73/15/15/386731515.db2.gz GMRUVWRZUISXIJ-NSHDSACASA-N 1 3 214.353 1.663 20 0 BDADHO CCN1CCN([C@@H](C)C[NH2+]CC2(F)CC2)CC1 ZINC000527030587 386735015 /nfs/dbraw/zinc/73/50/15/386735015.db2.gz OZUCIYCCFPJYFN-LBPRGKRZSA-N 1 3 243.370 1.104 20 0 BDADHO CC(C)CCOCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166224229 386765100 /nfs/dbraw/zinc/76/51/00/386765100.db2.gz KRSCNJXARALWMJ-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H](C[NH3+])CC(C)C ZINC000414838907 386741649 /nfs/dbraw/zinc/74/16/49/386741649.db2.gz KXQZDYFTBBTSFG-LLVKDONJSA-N 1 3 244.379 1.539 20 0 BDADHO C[C@@H](C[NH3+])NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417813695 386781832 /nfs/dbraw/zinc/78/18/32/386781832.db2.gz GLPMCNJDCZFCEQ-JQWIXIFHSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000396601070 386787742 /nfs/dbraw/zinc/78/77/42/386787742.db2.gz AURDGLJZAUVHLZ-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H](CN)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414934763 386800419 /nfs/dbraw/zinc/80/04/19/386800419.db2.gz AJFQDPVOKKIMDK-VIFPVBQESA-N 1 3 236.344 1.371 20 0 BDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H](N)c1ccccc1 ZINC000417845548 386804147 /nfs/dbraw/zinc/80/41/47/386804147.db2.gz RZPAKIABZLGOTN-WCFLWFBJSA-N 1 3 247.342 1.025 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCNCc2ccccc21 ZINC000414845646 386806711 /nfs/dbraw/zinc/80/67/11/386806711.db2.gz MHYZSPZYIHRRSL-AWEZNQCLSA-N 1 3 247.386 1.970 20 0 BDADHO CC[C@@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000163989480 386842426 /nfs/dbraw/zinc/84/24/26/386842426.db2.gz DTQVZKCLGPXXKM-TVYUQYBPSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@@H]1CCC[C@H](C)C[N@H+]1CCN1CCNCC1 ZINC000334787870 386849555 /nfs/dbraw/zinc/84/95/55/386849555.db2.gz YPSNOVMPDQIKDL-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCN1CCNCC1 ZINC000334787870 386849557 /nfs/dbraw/zinc/84/95/57/386849557.db2.gz YPSNOVMPDQIKDL-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H]1CC[NH2+]C[C@@H]1C ZINC000414943217 386896671 /nfs/dbraw/zinc/89/66/71/386896671.db2.gz NNUOOGWILDNHFY-QWRGUYRKSA-N 1 3 242.363 1.163 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@H]1CCNC[C@@H]1C ZINC000414943217 386896678 /nfs/dbraw/zinc/89/66/78/386896678.db2.gz NNUOOGWILDNHFY-QWRGUYRKSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@]1(C[NH2+][C@H]2CCCSC2)CCCNC1 ZINC000334871902 386933195 /nfs/dbraw/zinc/93/31/95/386933195.db2.gz CBWGPVALGCSEMD-NWDGAFQWSA-N 1 3 228.405 1.861 20 0 BDADHO C[C@@]1(CN[C@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871902 386933197 /nfs/dbraw/zinc/93/31/97/386933197.db2.gz CBWGPVALGCSEMD-NWDGAFQWSA-N 1 3 228.405 1.861 20 0 BDADHO NCCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000334879756 386942886 /nfs/dbraw/zinc/94/28/86/386942886.db2.gz DTOYYZLZRUECDR-UHFFFAOYSA-N 1 3 212.337 1.228 20 0 BDADHO NCCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000334879756 386942891 /nfs/dbraw/zinc/94/28/91/386942891.db2.gz DTOYYZLZRUECDR-UHFFFAOYSA-N 1 3 212.337 1.228 20 0 BDADHO [NH3+]CCCN1CCCC2(CCOCC2)C1 ZINC000334879756 386942895 /nfs/dbraw/zinc/94/28/95/386942895.db2.gz DTOYYZLZRUECDR-UHFFFAOYSA-N 1 3 212.337 1.228 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000395191320 386980909 /nfs/dbraw/zinc/98/09/09/386980909.db2.gz COVBNHSHWQUBHU-XQHKEYJVSA-N 1 3 226.364 1.674 20 0 BDADHO COCCC1(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000395197383 386982700 /nfs/dbraw/zinc/98/27/00/386982700.db2.gz KUHFPUKEEMPXSZ-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CCCC[NH+]1CCC(N[C@@H](C)CC(N)=O)CC1 ZINC000341906163 386986897 /nfs/dbraw/zinc/98/68/97/386986897.db2.gz XENNHEFAMNDPNM-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000417413875 387053537 /nfs/dbraw/zinc/05/35/37/387053537.db2.gz XWCFIZHVCSNZSW-ZDEQEGDKSA-N 1 3 224.348 1.116 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000417413875 387053539 /nfs/dbraw/zinc/05/35/39/387053539.db2.gz XWCFIZHVCSNZSW-ZDEQEGDKSA-N 1 3 224.348 1.116 20 0 BDADHO Cc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334980890 387068687 /nfs/dbraw/zinc/06/86/87/387068687.db2.gz QCLYUTPIYHIILU-STQMWFEESA-N 1 3 249.358 1.805 20 0 BDADHO c1ccc2c(c1)CNCCN2CC[C@@H]1CC[NH2+]C1 ZINC000334998949 387092026 /nfs/dbraw/zinc/09/20/26/387092026.db2.gz XCVNCPKKRBMJAZ-ZDUSSCGKSA-N 1 3 245.370 1.596 20 0 BDADHO c1ccc2c(c1)CNCCN2CC[C@H]1CC[NH2+]C1 ZINC000334998948 387092311 /nfs/dbraw/zinc/09/23/11/387092311.db2.gz XCVNCPKKRBMJAZ-CYBMUJFWSA-N 1 3 245.370 1.596 20 0 BDADHO CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CCNCC2)CCO1 ZINC000335026347 387118875 /nfs/dbraw/zinc/11/88/75/387118875.db2.gz MOGAUUDWDIIJAZ-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH+](C)CCOCCNCc1ccccc1 ZINC000074525176 387128211 /nfs/dbraw/zinc/12/82/11/387128211.db2.gz FUCMDDDTZNUMGB-UHFFFAOYSA-N 1 3 222.332 1.354 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000423298876 387129096 /nfs/dbraw/zinc/12/90/96/387129096.db2.gz PBLZOVWFHYUUPX-MCIONIFRSA-N 1 3 241.423 1.824 20 0 BDADHO C([NH2+]C1C2CC3CC(C2)CC1C3)C1CNC1 ZINC000423299526 387129466 /nfs/dbraw/zinc/12/94/66/387129466.db2.gz CBVVQUIHBHRQBV-UHFFFAOYSA-N 1 3 220.360 1.620 20 0 BDADHO C[C@H](CCc1ccccc1F)NCC1C[NH2+]C1 ZINC000423306407 387142065 /nfs/dbraw/zinc/14/20/65/387142065.db2.gz SVMPBWUFTNOUEB-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO C[C@H](CCc1ccccc1F)[NH2+]CC1CNC1 ZINC000423306407 387142070 /nfs/dbraw/zinc/14/20/70/387142070.db2.gz SVMPBWUFTNOUEB-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CCCc2ccc(O)cc21 ZINC000423307354 387144167 /nfs/dbraw/zinc/14/41/67/387144167.db2.gz MZIYNYPJMBIYIE-YGRLFVJLSA-N 1 3 234.343 1.954 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423310573 387146369 /nfs/dbraw/zinc/14/63/69/387146369.db2.gz SAOSUZOAAIEFGC-DDHJBXDOSA-N 1 3 226.364 1.374 20 0 BDADHO CCC1(CC)[C@H]([NH2+]C[C@@H](C)CN)C[C@H]1OC ZINC000423312374 387148369 /nfs/dbraw/zinc/14/83/69/387148369.db2.gz UZPKNFUCPQLDKP-QJPTWQEYSA-N 1 3 228.380 1.765 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000423332810 387179018 /nfs/dbraw/zinc/17/90/18/387179018.db2.gz PKJVRKBPOLNJBU-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423332810 387179022 /nfs/dbraw/zinc/17/90/22/387179022.db2.gz PKJVRKBPOLNJBU-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)CN)cn1 ZINC000423302050 387135601 /nfs/dbraw/zinc/13/56/01/387135601.db2.gz GSPJTYGLZCFASY-GHMZBOCLSA-N 1 3 237.347 1.206 20 0 BDADHO COc1ccc(C[C@@H](C)NC[C@H](C)C[NH3+])cn1 ZINC000423302050 387135603 /nfs/dbraw/zinc/13/56/03/387135603.db2.gz GSPJTYGLZCFASY-GHMZBOCLSA-N 1 3 237.347 1.206 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CCCc2c(O)cccc21 ZINC000423304128 387136809 /nfs/dbraw/zinc/13/68/09/387136809.db2.gz JYUJLQLZYLVVOC-GXFFZTMASA-N 1 3 234.343 1.954 20 0 BDADHO CCC[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713463 387137107 /nfs/dbraw/zinc/13/71/07/387137107.db2.gz QEJWAGCIGAMHBG-NSHDSACASA-N 1 3 241.379 1.282 20 0 BDADHO C([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C1CNC1 ZINC000423303494 387137526 /nfs/dbraw/zinc/13/75/26/387137526.db2.gz LSQZQMKOAYXOEK-OLZOCXBDSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)c1cccc(CO)c1 ZINC000423303148 387138017 /nfs/dbraw/zinc/13/80/17/387138017.db2.gz WORDDWMJNZKOHN-MNOVXSKESA-N 1 3 222.332 1.424 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCCCCO)c2ccccc21 ZINC000229108672 387140080 /nfs/dbraw/zinc/14/00/80/387140080.db2.gz FHKVJWKMLLKFKT-UONOGXRCSA-N 1 3 234.343 1.883 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000229972803 387207794 /nfs/dbraw/zinc/20/77/94/387207794.db2.gz YKTJECAPHREVRT-MGPQQGTHSA-N 1 3 234.343 1.738 20 0 BDADHO COCCC[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423356718 387207781 /nfs/dbraw/zinc/20/77/81/387207781.db2.gz HGAJHYCGWJFPIP-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO CCCCO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423357343 387208802 /nfs/dbraw/zinc/20/88/02/387208802.db2.gz ABGWSNOSCURIOE-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364140 387215649 /nfs/dbraw/zinc/21/56/49/387215649.db2.gz ATVSQSNRDRWKBH-LPWJVIDDSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423362869 387216190 /nfs/dbraw/zinc/21/61/90/387216190.db2.gz ILEDWMWURYAKEZ-GUTXKFCHSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@@H](C[NH3+])N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423362869 387216194 /nfs/dbraw/zinc/21/61/94/387216194.db2.gz ILEDWMWURYAKEZ-GUTXKFCHSA-N 1 3 247.386 1.586 20 0 BDADHO NCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000643496826 387219954 /nfs/dbraw/zinc/21/99/54/387219954.db2.gz YDCYCULFBFZJCQ-CQSZACIVSA-N 1 3 218.344 1.872 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC12CCC2 ZINC000423369704 387223694 /nfs/dbraw/zinc/22/36/94/387223694.db2.gz SZNZXRBOPDYZIU-GRYCIOLGSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@H](C)O1 ZINC000423325907 387229332 /nfs/dbraw/zinc/22/93/32/387229332.db2.gz CETFZBFXHHQHNH-MROQNXINSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCNC2)[C@H](C)O1 ZINC000423325907 387229333 /nfs/dbraw/zinc/22/93/33/387229333.db2.gz CETFZBFXHHQHNH-MROQNXINSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000423423046 387250043 /nfs/dbraw/zinc/25/00/43/387250043.db2.gz LSHNQDVPUXYMOJ-AVGNSLFASA-N 1 3 248.374 1.892 20 0 BDADHO C1CC1[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423426334 387251894 /nfs/dbraw/zinc/25/18/94/387251894.db2.gz HTPASWOSGLQPML-XQHKEYJVSA-N 1 3 206.333 1.373 20 0 BDADHO C[C@]12C[C@H]1CCC[C@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423462038 387310983 /nfs/dbraw/zinc/31/09/83/387310983.db2.gz UZRBVRJDTRJIPB-QKFSQAGISA-N 1 3 206.333 1.373 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1C[C@H]1C ZINC000321915864 387316216 /nfs/dbraw/zinc/31/62/16/387316216.db2.gz QKOULFNNTBUUHT-UTUOFQBUSA-N 1 3 214.353 1.199 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H]1CNCCC1(F)F ZINC000423469562 387316649 /nfs/dbraw/zinc/31/66/49/387316649.db2.gz COMHRGBVGLERHU-ZJUUUORDSA-N 1 3 235.322 1.091 20 0 BDADHO CCC[C@H]([NH2+]C[C@@H]1CNC[C@@H]1O)C(C)(C)C ZINC000423428862 387254370 /nfs/dbraw/zinc/25/43/70/387254370.db2.gz OPGFZOQWFDQKBQ-SRVKXCTJSA-N 1 3 228.380 1.371 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423379775 387263037 /nfs/dbraw/zinc/26/30/37/387263037.db2.gz NFDBZERMYJTJLC-LMLFDSFASA-N 1 3 200.326 1.140 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423379775 387263039 /nfs/dbraw/zinc/26/30/39/387263039.db2.gz NFDBZERMYJTJLC-LMLFDSFASA-N 1 3 200.326 1.140 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H](C)O1 ZINC000423382115 387264616 /nfs/dbraw/zinc/26/46/16/387264616.db2.gz JUXCQUDYIRXPQN-HFAKWTLXSA-N 1 3 246.354 1.945 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423386531 387272425 /nfs/dbraw/zinc/27/24/25/387272425.db2.gz HGQBVNMJPYGHEF-WOPDTQHZSA-N 1 3 208.349 1.907 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643498513 387277102 /nfs/dbraw/zinc/27/71/02/387277102.db2.gz OOFWDNXELQFKDK-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@@H](O)CCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000572249381 387279004 /nfs/dbraw/zinc/27/90/04/387279004.db2.gz HPYIEJBQYNKVQK-GFCCVEGCSA-N 1 3 248.370 1.535 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423480452 387283603 /nfs/dbraw/zinc/28/36/03/387283603.db2.gz VZZNYEZWONBVAB-QJPTWQEYSA-N 1 3 228.380 1.905 20 0 BDADHO COC[C@]1(CN[C@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439093 387287534 /nfs/dbraw/zinc/28/75/34/387287534.db2.gz VEXFYDRLDBOVJD-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H](C)[NH3+])C12CCC2 ZINC000423440327 387289708 /nfs/dbraw/zinc/28/97/08/387289708.db2.gz IOFJPTPXTOQYQS-WHOHXGKFSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)[C@H](C)N ZINC000423442240 387292233 /nfs/dbraw/zinc/29/22/33/387292233.db2.gz JSFPJCWXXQVSAN-AXFHLTTASA-N 1 3 222.332 1.565 20 0 BDADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ccc(F)cn1 ZINC000423450025 387298785 /nfs/dbraw/zinc/29/87/85/387298785.db2.gz HBTSKXBBYCFFOL-VHSXEESVSA-N 1 3 225.311 1.999 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@H+](C)[C@H](C)C2)on1 ZINC000353997168 387308308 /nfs/dbraw/zinc/30/83/08/387308308.db2.gz QMPAYROBLSJJCW-NEPJUHHUSA-N 1 3 237.347 1.598 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)on1 ZINC000353997168 387308312 /nfs/dbraw/zinc/30/83/12/387308312.db2.gz QMPAYROBLSJJCW-NEPJUHHUSA-N 1 3 237.347 1.598 20 0 BDADHO CC[C@H](NCCC1=CC[NH2+]CC1)c1ccn(C)n1 ZINC000423534859 387361369 /nfs/dbraw/zinc/36/13/69/387361369.db2.gz BCSIRYCMNJVZCU-ZDUSSCGKSA-N 1 3 248.374 1.771 20 0 BDADHO CCn1ccnc1[C@H](C)NCCC1=CC[NH2+]CC1 ZINC000423537702 387362888 /nfs/dbraw/zinc/36/28/88/387362888.db2.gz KQSNHODGUFTTJU-LBPRGKRZSA-N 1 3 248.374 1.863 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCNC2)C1(C)C ZINC000423544428 387367765 /nfs/dbraw/zinc/36/77/65/387367765.db2.gz DANCANUIFGNDDE-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](N[C@@H]1CCN(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462907 387322179 /nfs/dbraw/zinc/32/21/79/387322179.db2.gz YFGKGOTXMRPPDA-IACUBPJLSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474858 387322700 /nfs/dbraw/zinc/32/27/00/387322700.db2.gz HTRDWWIACRSSGL-DCAQKATOSA-N 1 3 247.333 1.104 20 0 BDADHO CC(C)(C)[C@@H]1CC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000423491965 387335296 /nfs/dbraw/zinc/33/52/96/387335296.db2.gz KYGAZXUWDFOTIC-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000643500762 387345100 /nfs/dbraw/zinc/34/51/00/387345100.db2.gz CCJWWBDROXJGQS-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423508856 387345950 /nfs/dbraw/zinc/34/59/50/387345950.db2.gz QZGZGFRCLKZPFY-LALPHHSUSA-N 1 3 249.402 1.964 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000084222677 387440899 /nfs/dbraw/zinc/44/08/99/387440899.db2.gz VRLUZAMIMVJPDT-LPWJVIDDSA-N 1 3 226.364 1.255 20 0 BDADHO COCCC[C@H](C)NCC[NH2+]C1CC1 ZINC000643506742 387459476 /nfs/dbraw/zinc/45/94/76/387459476.db2.gz HEZJNNWOSYLZHH-JTQLQIEISA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1COC(C)(C)C1 ZINC000396819761 387500288 /nfs/dbraw/zinc/50/02/88/387500288.db2.gz JGZOUDRWVDAXKR-MNOVXSKESA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](CN[C@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870043 387505182 /nfs/dbraw/zinc/50/51/82/387505182.db2.gz XBYLSKAMJLQAAK-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[NH2+][C@H]1COC(C)(C)C1)CN1CCCC1 ZINC000396870043 387505187 /nfs/dbraw/zinc/50/51/87/387505187.db2.gz XBYLSKAMJLQAAK-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H](N[C@H]1CC[C@@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471043 387478038 /nfs/dbraw/zinc/47/80/38/387478038.db2.gz PKZGIRJODPOWMZ-RQJABVFESA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCN1 ZINC000643471043 387478045 /nfs/dbraw/zinc/47/80/45/387478045.db2.gz PKZGIRJODPOWMZ-RQJABVFESA-N 1 3 240.391 1.658 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470985 387478221 /nfs/dbraw/zinc/47/82/21/387478221.db2.gz DIRPBVWDSLQMJO-MQYQWHSLSA-N 1 3 240.391 1.645 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CCCNC(C)C)C1 ZINC000643508406 387490953 /nfs/dbraw/zinc/49/09/53/387490953.db2.gz DPZSSGDZILCUJY-QWHCGFSZSA-N 1 3 228.380 1.922 20 0 BDADHO CO[C@@H]1CCC[C@H](NCCC[NH2+]C(C)C)C1 ZINC000643508406 387490956 /nfs/dbraw/zinc/49/09/56/387490956.db2.gz DPZSSGDZILCUJY-QWHCGFSZSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400736112 387595160 /nfs/dbraw/zinc/59/51/60/387595160.db2.gz RSVWBQZQMZQGIB-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](N)C2CCC2)c1 ZINC000422534550 387595274 /nfs/dbraw/zinc/59/52/74/387595274.db2.gz BGKOHDFMKZJASX-ZDUSSCGKSA-N 1 3 247.342 1.472 20 0 BDADHO N[C@H](C(=O)Nc1ccc(C[NH3+])cc1)C1CCC1 ZINC000422544996 387597523 /nfs/dbraw/zinc/59/75/23/387597523.db2.gz VYOZEAGEQPCIIR-LBPRGKRZSA-N 1 3 233.315 1.211 20 0 BDADHO C([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCCOC1 ZINC000527532327 387599229 /nfs/dbraw/zinc/59/92/29/387599229.db2.gz MZTJGXATYXJTDM-VXGBXAGGSA-N 1 3 224.348 1.287 20 0 BDADHO CCOC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422638737 387611352 /nfs/dbraw/zinc/61/13/52/387611352.db2.gz RHAQRPIDVSTSQP-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@@H](NC[C@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698666 387616583 /nfs/dbraw/zinc/61/65/83/387616583.db2.gz AKHLNVBIHSGBBF-MFKMUULPSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)C1CNC1 ZINC000422698666 387616586 /nfs/dbraw/zinc/61/65/86/387616586.db2.gz AKHLNVBIHSGBBF-MFKMUULPSA-N 1 3 226.364 1.125 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H](O)C1CCCCC1 ZINC000422702994 387618985 /nfs/dbraw/zinc/61/89/85/387618985.db2.gz MBAGRQVLQCGOJZ-AGIUHOORSA-N 1 3 226.364 1.397 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422707101 387620011 /nfs/dbraw/zinc/62/00/11/387620011.db2.gz GQSZTEYSNAKNNQ-ZDEQEGDKSA-N 1 3 228.380 1.643 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCCCO1 ZINC000422704429 387621792 /nfs/dbraw/zinc/62/17/92/387621792.db2.gz PQJMJQYOUIWWDM-YNEHKIRRSA-N 1 3 226.364 1.805 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000122596283 387552991 /nfs/dbraw/zinc/55/29/91/387552991.db2.gz XTNOGULTLXJWDX-LOWDOPEQSA-N 1 3 228.380 1.872 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122596283 387552993 /nfs/dbraw/zinc/55/29/93/387552993.db2.gz XTNOGULTLXJWDX-LOWDOPEQSA-N 1 3 228.380 1.872 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037051639 387559704 /nfs/dbraw/zinc/55/97/04/387559704.db2.gz XBNLSNITSGALKU-GFCCVEGCSA-N 1 3 236.363 1.339 20 0 BDADHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744852 387694351 /nfs/dbraw/zinc/69/43/51/387694351.db2.gz UGIQLWVHJWFPNH-BXUZGUMPSA-N 1 3 234.343 1.267 20 0 BDADHO CN(C)c1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422720794 387633824 /nfs/dbraw/zinc/63/38/24/387633824.db2.gz TWNSGUKOISNBPX-HIFRSBDPSA-N 1 3 247.386 1.970 20 0 BDADHO COC[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000124907081 387636988 /nfs/dbraw/zinc/63/69/88/387636988.db2.gz BIUYRWQLVQRLJF-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H](NC[C@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422728326 387639066 /nfs/dbraw/zinc/63/90/66/387639066.db2.gz JBUORPYCKOUSRI-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)C1CNC1 ZINC000422732544 387639918 /nfs/dbraw/zinc/63/99/18/387639918.db2.gz OXTRIPNACPBBRB-NSHDSACASA-N 1 3 243.354 1.908 20 0 BDADHO C[C@H](NCCc1c[nH]c2ccccc12)C1C[NH2+]C1 ZINC000422732544 387639927 /nfs/dbraw/zinc/63/99/27/387639927.db2.gz OXTRIPNACPBBRB-NSHDSACASA-N 1 3 243.354 1.908 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@H]1N)c1ccccc1 ZINC000422740629 387647764 /nfs/dbraw/zinc/64/77/64/387647764.db2.gz NWIXSOCALYTKQH-HZSPNIEDSA-N 1 3 234.343 1.844 20 0 BDADHO C[C@@H](NC[C@H](C)N(C)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000422741497 387647861 /nfs/dbraw/zinc/64/78/61/387647861.db2.gz ONNBQKKKQUOKAJ-SCRDCRAPSA-N 1 3 239.407 1.589 20 0 BDADHO C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000422741498 387647989 /nfs/dbraw/zinc/64/79/89/387647989.db2.gz ONNBQKKKQUOKAJ-YRGRVCCFSA-N 1 3 239.407 1.589 20 0 BDADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744907 387649095 /nfs/dbraw/zinc/64/90/95/387649095.db2.gz UIZVVFAWLVUWQV-GJZGRUSLSA-N 1 3 248.370 1.929 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(CO)c1 ZINC000422747805 387650670 /nfs/dbraw/zinc/65/06/70/387650670.db2.gz ZLPLMWVSFKFEHA-DOMZBBRYSA-N 1 3 248.370 1.657 20 0 BDADHO C[C@@H](CN[C@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422747234 387650985 /nfs/dbraw/zinc/65/09/85/387650985.db2.gz YDXHFJXXLXOMHQ-MDZLAQPJSA-N 1 3 225.380 1.057 20 0 BDADHO CC[C@@H](NC[C@H](C)N(C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746223 387651931 /nfs/dbraw/zinc/65/19/31/387651931.db2.gz WEWVQQOOCRDDPK-YUTCNCBUSA-N 1 3 239.407 1.589 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000422749593 387652644 /nfs/dbraw/zinc/65/26/44/387652644.db2.gz ZVCCDVBQHJNMHU-UBHSHLNASA-N 1 3 240.391 1.909 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422750338 387655097 /nfs/dbraw/zinc/65/50/97/387655097.db2.gz CTWLYAKQRNDCEE-MGPQQGTHSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](NCCn1cnc2ccccc21)C1C[NH2+]C1 ZINC000422755299 387657484 /nfs/dbraw/zinc/65/74/84/387657484.db2.gz GPRIVZLHXUUYLV-NSHDSACASA-N 1 3 244.342 1.234 20 0 BDADHO C[C@H]([NH2+]CCn1cnc2ccccc21)C1CNC1 ZINC000422755299 387657491 /nfs/dbraw/zinc/65/74/91/387657491.db2.gz GPRIVZLHXUUYLV-NSHDSACASA-N 1 3 244.342 1.234 20 0 BDADHO CN(C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422757856 387661641 /nfs/dbraw/zinc/66/16/41/387661641.db2.gz NDSKSBRZGBLAMX-QLFBSQMISA-N 1 3 247.386 1.759 20 0 BDADHO CN(C)[C@H](C[NH2+][C@H]1CCC[C@H]1N)c1ccccc1 ZINC000422757856 387661646 /nfs/dbraw/zinc/66/16/46/387661646.db2.gz NDSKSBRZGBLAMX-QLFBSQMISA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](NC[C@@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759716 387662647 /nfs/dbraw/zinc/66/26/47/387662647.db2.gz LFHFYRDYKNECRZ-JSGCOSHPSA-N 1 3 248.370 1.035 20 0 BDADHO C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C1CNC1 ZINC000422759716 387662651 /nfs/dbraw/zinc/66/26/51/387662651.db2.gz LFHFYRDYKNECRZ-JSGCOSHPSA-N 1 3 248.370 1.035 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422764153 387665001 /nfs/dbraw/zinc/66/50/01/387665001.db2.gz URLJKORSICJFGJ-DCAQKATOSA-N 1 3 216.394 1.716 20 0 BDADHO CSC[C@H](C)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422764153 387665004 /nfs/dbraw/zinc/66/50/04/387665004.db2.gz URLJKORSICJFGJ-DCAQKATOSA-N 1 3 216.394 1.716 20 0 BDADHO CCN1CCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422766501 387667978 /nfs/dbraw/zinc/66/79/78/387667978.db2.gz XLQNYODLPBOUSB-FRRDWIJNSA-N 1 3 225.380 1.201 20 0 BDADHO N[C@H]1CCCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000422770155 387670474 /nfs/dbraw/zinc/67/04/74/387670474.db2.gz UKRATVYCCOXEHR-QWHCGFSZSA-N 1 3 225.380 1.332 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CCCC1 ZINC000422770155 387670478 /nfs/dbraw/zinc/67/04/78/387670478.db2.gz UKRATVYCCOXEHR-QWHCGFSZSA-N 1 3 225.380 1.332 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCC(C)CC1 ZINC000422777774 387675467 /nfs/dbraw/zinc/67/54/67/387675467.db2.gz GNPUAAYXSBKKSE-RDBSUJKOSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@@H]1CCCN(CCN[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422861985 387743811 /nfs/dbraw/zinc/74/38/11/387743811.db2.gz PGOBPEAJEDUIBY-MGPQQGTHSA-N 1 3 239.407 1.435 20 0 BDADHO C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861062 387744241 /nfs/dbraw/zinc/74/42/41/387744241.db2.gz IWPSFOKHDXQSHP-UHXUPSOCSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2N)CN1C1CC1 ZINC000422861763 387744499 /nfs/dbraw/zinc/74/44/99/387744499.db2.gz JNNRUFPINIRTRQ-URBCHYCLSA-N 1 3 223.364 1.081 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])CN1C1CC1 ZINC000422861763 387744504 /nfs/dbraw/zinc/74/45/04/387744504.db2.gz JNNRUFPINIRTRQ-URBCHYCLSA-N 1 3 223.364 1.081 20 0 BDADHO CC(C)N1CC[C@@H]([N@H+](C)CCn2ccnc2)C1 ZINC000452117142 387746889 /nfs/dbraw/zinc/74/68/89/387746889.db2.gz NYHNGSOSXCJUDW-CYBMUJFWSA-N 1 3 236.363 1.298 20 0 BDADHO CC(C)N1CC[C@@H]([N@@H+](C)CCn2ccnc2)C1 ZINC000452117142 387746894 /nfs/dbraw/zinc/74/68/94/387746894.db2.gz NYHNGSOSXCJUDW-CYBMUJFWSA-N 1 3 236.363 1.298 20 0 BDADHO C[C@H](NCCN1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871381 387749474 /nfs/dbraw/zinc/74/94/74/387749474.db2.gz ZYKKWJFGZYPKMM-IHRRRGAJSA-N 1 3 239.407 1.448 20 0 BDADHO CN(C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188726456 387749449 /nfs/dbraw/zinc/74/94/49/387749449.db2.gz CDNGUFMOIZPQQG-ZDUSSCGKSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@H]1N ZINC000422868790 387749992 /nfs/dbraw/zinc/74/99/92/387749992.db2.gz WBBITIHZVSEVGH-UPJWGTAASA-N 1 3 225.380 1.330 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422802272 387703057 /nfs/dbraw/zinc/70/30/57/387703057.db2.gz DFJCNJNQJMAIQQ-IHRRRGAJSA-N 1 3 242.407 1.619 20 0 BDADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422814780 387714631 /nfs/dbraw/zinc/71/46/31/387714631.db2.gz WBMPQYICCJVQIP-KBPBESRZSA-N 1 3 239.407 1.722 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CCCCC1 ZINC000422814780 387714634 /nfs/dbraw/zinc/71/46/34/387714634.db2.gz WBMPQYICCJVQIP-KBPBESRZSA-N 1 3 239.407 1.722 20 0 BDADHO C[C@@H]([NH2+]CCCOC1CCCC1)C1CNC1 ZINC000422822937 387720516 /nfs/dbraw/zinc/72/05/16/387720516.db2.gz BZLMWCKNTUBKNX-LLVKDONJSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](NCCCOC1CCCC1)C1C[NH2+]C1 ZINC000422822937 387720522 /nfs/dbraw/zinc/72/05/22/387720522.db2.gz BZLMWCKNTUBKNX-LLVKDONJSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1C[C@@H](O)CN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000452069837 387721991 /nfs/dbraw/zinc/72/19/91/387721991.db2.gz NHSRSXIPWPCBBL-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1C[C@@H](O)CN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000452069837 387721993 /nfs/dbraw/zinc/72/19/93/387721993.db2.gz NHSRSXIPWPCBBL-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422830678 387723549 /nfs/dbraw/zinc/72/35/49/387723549.db2.gz WCHOXZZGJQUXGD-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO c1cn(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000127803711 387726551 /nfs/dbraw/zinc/72/65/51/387726551.db2.gz JSJBWTWGXNISNK-UONOGXRCSA-N 1 3 248.374 1.490 20 0 BDADHO c1cn(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000127803711 387726553 /nfs/dbraw/zinc/72/65/53/387726553.db2.gz JSJBWTWGXNISNK-UONOGXRCSA-N 1 3 248.374 1.490 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128068663 387734666 /nfs/dbraw/zinc/73/46/66/387734666.db2.gz BAVRBHCOWLQPJT-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128068663 387734672 /nfs/dbraw/zinc/73/46/72/387734672.db2.gz BAVRBHCOWLQPJT-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C1(C)C ZINC000422848351 387734749 /nfs/dbraw/zinc/73/47/49/387734749.db2.gz JSEPNKCCRSKPSO-VPOLOUISSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1(C)C ZINC000422848352 387735460 /nfs/dbraw/zinc/73/54/60/387735460.db2.gz JSEPNKCCRSKPSO-XWLWVQCSSA-N 1 3 212.337 1.269 20 0 BDADHO CC[C@H](O)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422894350 387764183 /nfs/dbraw/zinc/76/41/83/387764183.db2.gz SYFBSPITXQUFSA-GRYCIOLGSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422894350 387764187 /nfs/dbraw/zinc/76/41/87/387764187.db2.gz SYFBSPITXQUFSA-GRYCIOLGSA-N 1 3 214.353 1.125 20 0 BDADHO CCCCO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527579 387766382 /nfs/dbraw/zinc/76/63/82/387766382.db2.gz OSVKSTPKAZYHHA-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@@H](NC[C@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000422898547 387766756 /nfs/dbraw/zinc/76/67/56/387766756.db2.gz FIJQALZGYBTYNZ-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO CCN1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909503 387769083 /nfs/dbraw/zinc/76/90/83/387769083.db2.gz OEZNWYRHNOBTCS-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CNC1 ZINC000422911452 387769337 /nfs/dbraw/zinc/76/93/37/387769337.db2.gz SVSGLPZRIYXOGB-AAEUAGOBSA-N 1 3 230.355 1.914 20 0 BDADHO C[C@H](NC[C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911452 387769341 /nfs/dbraw/zinc/76/93/41/387769341.db2.gz SVSGLPZRIYXOGB-AAEUAGOBSA-N 1 3 230.355 1.914 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCNC(=O)c1ccccc1 ZINC000422914074 387770846 /nfs/dbraw/zinc/77/08/46/387770846.db2.gz RKSZWYYXYQJKBD-RYUDHWBXSA-N 1 3 249.358 1.132 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422921642 387776162 /nfs/dbraw/zinc/77/61/62/387776162.db2.gz OJNVIQBODHQDHY-RWMBFGLXSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCCc2c[nH]nc21 ZINC000422932978 387781516 /nfs/dbraw/zinc/78/15/16/387781516.db2.gz CWRMTUAVRJEYGZ-CMPLNLGQSA-N 1 3 236.363 1.894 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)C2C[NH2+]C2)C[C@H]1OC ZINC000422938009 387783284 /nfs/dbraw/zinc/78/32/84/387783284.db2.gz KLXGQNUEUPTVQU-RAIGVLPGSA-N 1 3 240.391 1.778 20 0 BDADHO CCC1(CC)[C@H]([NH2+][C@H](C)C2CNC2)C[C@H]1OC ZINC000422938009 387783288 /nfs/dbraw/zinc/78/32/88/387783288.db2.gz KLXGQNUEUPTVQU-RAIGVLPGSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCCN1 ZINC000422944570 387784536 /nfs/dbraw/zinc/78/45/36/387784536.db2.gz SJHJZITWOZNBSS-UHTWSYAYSA-N 1 3 248.374 1.387 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCSCCCO ZINC000422979543 387788362 /nfs/dbraw/zinc/78/83/62/387788362.db2.gz MZWDHGJMAMUVJU-NWDGAFQWSA-N 1 3 246.420 1.352 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992611 387800834 /nfs/dbraw/zinc/80/08/34/387800834.db2.gz RPDXAAFVFHUOHY-NWDGAFQWSA-N 1 3 226.364 1.256 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422990967 387801176 /nfs/dbraw/zinc/80/11/76/387801176.db2.gz OVOHPDPJBYVIAW-LPWJVIDDSA-N 1 3 225.380 1.044 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCn1cccn1 ZINC000422993568 387802964 /nfs/dbraw/zinc/80/29/64/387802964.db2.gz RMRQQYFSLCWWFH-VXGBXAGGSA-N 1 3 222.336 1.133 20 0 BDADHO CC[C@H](NC[C@H]1CCO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998213 387804257 /nfs/dbraw/zinc/80/42/57/387804257.db2.gz VYIDRRVIRZWOHF-XUXIUFHCSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)[C@@H]1CCCN1 ZINC000422998213 387804262 /nfs/dbraw/zinc/80/42/62/387804262.db2.gz VYIDRRVIRZWOHF-XUXIUFHCSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)(C)C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423002422 387807389 /nfs/dbraw/zinc/80/73/89/387807389.db2.gz YWRLBAOIQUAGTP-HNGCFSAESA-N 1 3 240.391 1.656 20 0 BDADHO COc1ccc([C@@H]2CC[N@H+](C[C@@H](C)N)C2)cc1 ZINC000442658967 387813526 /nfs/dbraw/zinc/81/35/26/387813526.db2.gz AMQPSZJQMMDHPP-DGCLKSJQSA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@@H]2CC[N@@H+](C[C@@H](C)N)C2)cc1 ZINC000442658967 387813529 /nfs/dbraw/zinc/81/35/29/387813529.db2.gz AMQPSZJQMMDHPP-DGCLKSJQSA-N 1 3 234.343 1.832 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]C2CCNCC2)c1 ZINC000422954270 387809967 /nfs/dbraw/zinc/80/99/67/387809967.db2.gz HTQIUACJZCDTKK-LBPRGKRZSA-N 1 3 248.370 1.968 20 0 BDADHO COc1cccc(C[C@H](C)NC2CC[NH2+]CC2)c1 ZINC000422954270 387809973 /nfs/dbraw/zinc/80/99/73/387809973.db2.gz HTQIUACJZCDTKK-LBPRGKRZSA-N 1 3 248.370 1.968 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955124 387810119 /nfs/dbraw/zinc/81/01/19/387810119.db2.gz IRIVEFQYRXZPOH-QSLWVIQJSA-N 1 3 240.391 1.907 20 0 BDADHO CCOc1ncccc1CN[C@H](C)CCC[NH3+] ZINC000422961431 387810911 /nfs/dbraw/zinc/81/09/11/387810911.db2.gz BWWPGAXWCXXQKQ-LLVKDONJSA-N 1 3 237.347 1.697 20 0 BDADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCCC1 ZINC000422965227 387813600 /nfs/dbraw/zinc/81/36/00/387813600.db2.gz OAANIULYFJDDID-MJBXVCDLSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)[C@H]1CCC[NH2+]1 ZINC000422887634 387761206 /nfs/dbraw/zinc/76/12/06/387761206.db2.gz LDBZJGHUGZUBTD-QNSTZXKLSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@H]1CCCN1 ZINC000422887634 387761210 /nfs/dbraw/zinc/76/12/10/387761210.db2.gz LDBZJGHUGZUBTD-QNSTZXKLSA-N 1 3 238.375 1.674 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422972180 387820779 /nfs/dbraw/zinc/82/07/79/387820779.db2.gz KSIGBEMINSCQBX-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](CCO)N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422973980 387824628 /nfs/dbraw/zinc/82/46/28/387824628.db2.gz DBICFAUDRQBHGF-MBNYWOFBSA-N 1 3 236.359 1.305 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423008672 387831653 /nfs/dbraw/zinc/83/16/53/387831653.db2.gz TZHRJEJEEVCZLD-KKUMJFAQSA-N 1 3 248.370 1.480 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](CO)c1ccccc1 ZINC000423008672 387831655 /nfs/dbraw/zinc/83/16/55/387831655.db2.gz TZHRJEJEEVCZLD-KKUMJFAQSA-N 1 3 248.370 1.480 20 0 BDADHO C[C@H]([NH2+]CC12CCC(CC1)C2)C1CNC1 ZINC000423010537 387833663 /nfs/dbraw/zinc/83/36/63/387833663.db2.gz GTYYHTZTQQWMNB-ZBOXLXRLSA-N 1 3 208.349 1.764 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1(C)C ZINC000423011607 387834055 /nfs/dbraw/zinc/83/40/55/387834055.db2.gz BCMUUNBWAJCBQQ-HHHUOAJASA-N 1 3 228.380 1.761 20 0 BDADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC000643479108 387835906 /nfs/dbraw/zinc/83/59/06/387835906.db2.gz RAILPWMEATYOJL-DGAVXFQQSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1CCCCO1 ZINC000643479108 387835912 /nfs/dbraw/zinc/83/59/12/387835912.db2.gz RAILPWMEATYOJL-DGAVXFQQSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1cnccc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423014288 387836048 /nfs/dbraw/zinc/83/60/48/387836048.db2.gz OSZAQIPXGLEPNZ-KGLIPLIRSA-N 1 3 233.359 1.650 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(CO)CC1 ZINC000643459333 387836311 /nfs/dbraw/zinc/83/63/11/387836311.db2.gz NZNXRPVDMCFLQH-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO CC[C@H](NC[C@H]1CCC[C@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012876 387837149 /nfs/dbraw/zinc/83/71/49/387837149.db2.gz DWKSGXCJXDHVCK-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)[C@@H]1CCCN1 ZINC000423012876 387837155 /nfs/dbraw/zinc/83/71/55/387837155.db2.gz DWKSGXCJXDHVCK-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)[C@@H](O)C1(CN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018259 387840175 /nfs/dbraw/zinc/84/01/75/387840175.db2.gz QNSZNGZNKGFHDI-QJPTWQEYSA-N 1 3 228.380 1.499 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423018725 387841565 /nfs/dbraw/zinc/84/15/65/387841565.db2.gz RZLZJCGRXWLNDJ-REWJHTLYSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)(C)[C@@H](CCO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423038197 387850408 /nfs/dbraw/zinc/85/04/08/387850408.db2.gz NXMZVTSYIKWLJB-ZGVCCVRISA-N 1 3 240.391 1.656 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000423041158 387854823 /nfs/dbraw/zinc/85/48/23/387854823.db2.gz WGFMUNZZNLDVIH-GARJFASQSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC000423043583 387854938 /nfs/dbraw/zinc/85/49/38/387854938.db2.gz PDZSDXADORFORR-SRVKXCTJSA-N 1 3 214.353 1.661 20 0 BDADHO CSCCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193607786 387857495 /nfs/dbraw/zinc/85/74/95/387857495.db2.gz MDMXKUUCZVKCDB-PHIMTYICSA-N 1 3 214.378 1.233 20 0 BDADHO CSCCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193607786 387857498 /nfs/dbraw/zinc/85/74/98/387857498.db2.gz MDMXKUUCZVKCDB-PHIMTYICSA-N 1 3 214.378 1.233 20 0 BDADHO CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535056 387861195 /nfs/dbraw/zinc/86/11/95/387861195.db2.gz IIIWZNNVLWEKTH-STQMWFEESA-N 1 3 248.374 1.603 20 0 BDADHO C[C@H](O)CCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000433080255 387861675 /nfs/dbraw/zinc/86/16/75/387861675.db2.gz ASKGRZNVWFRLTD-LBPRGKRZSA-N 1 3 242.407 2.000 20 0 BDADHO C[C@H](O)CCCNC1CC[NH+](C(C)(C)C)CC1 ZINC000433080255 387861678 /nfs/dbraw/zinc/86/16/78/387861678.db2.gz ASKGRZNVWFRLTD-LBPRGKRZSA-N 1 3 242.407 2.000 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCC1(CO)CCCC1 ZINC000423054170 387862489 /nfs/dbraw/zinc/86/24/89/387862489.db2.gz UACXRYIBCAFPIW-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cnccc1N ZINC000423060059 387864309 /nfs/dbraw/zinc/86/43/09/387864309.db2.gz NIONSIUTFMZJAF-LLVKDONJSA-N 1 3 248.374 1.629 20 0 BDADHO C[C@@H](NCC1([NH+](C)C)CCC1)c1cnccc1N ZINC000423060059 387864314 /nfs/dbraw/zinc/86/43/14/387864314.db2.gz NIONSIUTFMZJAF-LLVKDONJSA-N 1 3 248.374 1.629 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCC1(N(C)C)CCC1 ZINC000423063121 387866772 /nfs/dbraw/zinc/86/67/72/387866772.db2.gz VNGLZRGTHRVOBQ-WDEREUQCSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)O ZINC000423064113 387867832 /nfs/dbraw/zinc/86/78/32/387867832.db2.gz QLWBGTGPLRCGTC-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCC(C)(C)O ZINC000423064113 387867834 /nfs/dbraw/zinc/86/78/34/387867834.db2.gz QLWBGTGPLRCGTC-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000423066548 387869056 /nfs/dbraw/zinc/86/90/56/387869056.db2.gz XAJHJONNXFLHIG-YIYPIFLZSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOC(F)(F)F ZINC000423067917 387870035 /nfs/dbraw/zinc/87/00/35/387870035.db2.gz ISWUYWOLHPJKOT-DTWKUNHWSA-N 1 3 240.269 1.501 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000423066549 387870118 /nfs/dbraw/zinc/87/01/18/387870118.db2.gz XAJHJONNXFLHIG-ZOBORPQBSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000422969730 387818793 /nfs/dbraw/zinc/81/87/93/387818793.db2.gz DKACSLRJIUZNGR-XDQVBPFNSA-N 1 3 238.375 1.685 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423002878 387819347 /nfs/dbraw/zinc/81/93/47/387819347.db2.gz KFWFSSHTSKDJHR-QWRGUYRKSA-N 1 3 216.369 1.501 20 0 BDADHO CCC(CC)(CO)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423002878 387819352 /nfs/dbraw/zinc/81/93/52/387819352.db2.gz KFWFSSHTSKDJHR-QWRGUYRKSA-N 1 3 216.369 1.501 20 0 BDADHO COCC[C@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000423117599 387897827 /nfs/dbraw/zinc/89/78/27/387897827.db2.gz WERJHRHAEDFTMO-JQWIXIFHSA-N 1 3 228.380 1.635 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCC1 ZINC000423117074 387897857 /nfs/dbraw/zinc/89/78/57/387897857.db2.gz SUVGTCBJSCTUKQ-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CCNC(=O)C1(CN[C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423081223 387875736 /nfs/dbraw/zinc/87/57/36/387875736.db2.gz UQXLBKQMVNWPBB-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO CSC1(CN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423079811 387877127 /nfs/dbraw/zinc/87/71/27/387877127.db2.gz BAGIZXDIIQSSIX-IUCAKERBSA-N 1 3 200.351 1.351 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236212303 387879164 /nfs/dbraw/zinc/87/91/64/387879164.db2.gz XOZRTNPTHUQSGS-HIFRSBDPSA-N 1 3 230.355 1.871 20 0 BDADHO C[C@@H](NC[C@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423088990 387880448 /nfs/dbraw/zinc/88/04/48/387880448.db2.gz UCTBKQQUKXKCMU-UTUOFQBUSA-N 1 3 228.405 1.860 20 0 BDADHO CCn1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1=O ZINC000423090169 387883140 /nfs/dbraw/zinc/88/31/40/387883140.db2.gz USCBETJXRPTXPS-DGCLKSJQSA-N 1 3 249.358 1.085 20 0 BDADHO C[C@@H](NCCCc1ccccc1F)C1C[NH2+]C1 ZINC000423099360 387887557 /nfs/dbraw/zinc/88/75/57/387887557.db2.gz TXXUYDQUFYPGKQ-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO C[C@@H]([NH2+]CCCc1ccccc1F)C1CNC1 ZINC000423099360 387887561 /nfs/dbraw/zinc/88/75/61/387887561.db2.gz TXXUYDQUFYPGKQ-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO CC(C)SCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423103232 387888675 /nfs/dbraw/zinc/88/86/75/387888675.db2.gz GAIAWYHUNKYZNW-NXEZZACHSA-N 1 3 202.367 1.597 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423140209 387918775 /nfs/dbraw/zinc/91/87/75/387918775.db2.gz XTJUASFWGWLQJS-FXPVBKGRSA-N 1 3 200.326 1.127 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423121193 387900325 /nfs/dbraw/zinc/90/03/25/387900325.db2.gz IEICQZGLEVJCFJ-SGMGOOAPSA-N 1 3 246.354 1.880 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1COc2ccccc21 ZINC000423121193 387900327 /nfs/dbraw/zinc/90/03/27/387900327.db2.gz IEICQZGLEVJCFJ-SGMGOOAPSA-N 1 3 246.354 1.880 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423121192 387900705 /nfs/dbraw/zinc/90/07/05/387900705.db2.gz IEICQZGLEVJCFJ-SCRDCRAPSA-N 1 3 246.354 1.880 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1COc2ccccc21 ZINC000423121192 387900708 /nfs/dbraw/zinc/90/07/08/387900708.db2.gz IEICQZGLEVJCFJ-SCRDCRAPSA-N 1 3 246.354 1.880 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423124768 387902186 /nfs/dbraw/zinc/90/21/86/387902186.db2.gz PBLHHJREWYEKDL-QWRGUYRKSA-N 1 3 216.369 1.765 20 0 BDADHO CCC[C@H](C)C(=O)NCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423124691 387902201 /nfs/dbraw/zinc/90/22/01/387902201.db2.gz GZXSWHWPLDECNH-QJPTWQEYSA-N 1 3 243.395 1.254 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CCCN1 ZINC000423125158 387902228 /nfs/dbraw/zinc/90/22/28/387902228.db2.gz NCMWIJAEARGBMI-XJFOESAGSA-N 1 3 240.391 1.515 20 0 BDADHO C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@H]2CCCOC2)C1 ZINC000423133116 387909106 /nfs/dbraw/zinc/90/91/06/387909106.db2.gz VLLHPIXBQIXUPB-RFQIPJPRSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCF ZINC000423132121 387909971 /nfs/dbraw/zinc/90/99/71/387909971.db2.gz BORCZYCRWRYQGM-QWRGUYRKSA-N 1 3 202.317 1.714 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423131536 387910305 /nfs/dbraw/zinc/91/03/05/387910305.db2.gz OCFUBGUKKXZKIS-HTQZYQBOSA-N 1 3 206.280 1.747 20 0 BDADHO Cc1nccnc1CC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000423132002 387910422 /nfs/dbraw/zinc/91/04/22/387910422.db2.gz IOWIQVLUFNCWCH-WCQYABFASA-N 1 3 248.374 1.448 20 0 BDADHO Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@H]1N)C2 ZINC000423140544 387917509 /nfs/dbraw/zinc/91/75/09/387917509.db2.gz MNMYBLFSAITFJY-MGPQQGTHSA-N 1 3 246.354 1.768 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(CF)CCOCC1 ZINC000423152708 387931528 /nfs/dbraw/zinc/93/15/28/387931528.db2.gz MAUZPWYFCVICCJ-NEPJUHHUSA-N 1 3 244.354 1.340 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@H]1CCC[C@H]1F ZINC000423144756 387920267 /nfs/dbraw/zinc/92/02/67/387920267.db2.gz HWFNWFRVCCOKRO-KKOKHZNYSA-N 1 3 214.328 1.984 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423163829 387923356 /nfs/dbraw/zinc/92/33/56/387923356.db2.gz NOLWXUKMZJZUCV-FVCCEPFGSA-N 1 3 226.364 1.659 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000423167251 387951746 /nfs/dbraw/zinc/95/17/46/387951746.db2.gz DXJXVDMEPJYJKR-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000300384954 387952312 /nfs/dbraw/zinc/95/23/12/387952312.db2.gz JUEMYVUTQZZUES-KXUCPTDWSA-N 1 3 200.326 1.127 20 0 BDADHO CCO[C@@H]1CCC[C@H]1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423167962 387952616 /nfs/dbraw/zinc/95/26/16/387952616.db2.gz SXMLKLHMEIPSFY-WRWGMCAJSA-N 1 3 214.353 1.659 20 0 BDADHO CC/C=C/CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423157327 387937568 /nfs/dbraw/zinc/93/75/68/387937568.db2.gz MORANAVIZTXPDF-FOSLFWNOSA-N 1 3 238.375 1.699 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000423160037 387942149 /nfs/dbraw/zinc/94/21/49/387942149.db2.gz QHZLLDGSUBSZRG-UTUOFQBUSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOCC1CCCC1 ZINC000423161828 387943727 /nfs/dbraw/zinc/94/37/27/387943727.db2.gz JTMZIVQVNNQEEW-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NC[C@H]1CCCC[C@@H]1O ZINC000423163117 387946680 /nfs/dbraw/zinc/94/66/80/387946680.db2.gz QTEPXAWQKDQFSW-KXNHARMFSA-N 1 3 212.337 1.007 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423165445 387948295 /nfs/dbraw/zinc/94/82/95/387948295.db2.gz XXTJBVLGEKRCCY-QJPTWQEYSA-N 1 3 228.380 1.514 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000423165225 387948490 /nfs/dbraw/zinc/94/84/90/387948490.db2.gz AUXQUBCEJSMQHF-WISYIIOYSA-N 1 3 224.348 1.413 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000423164676 387948951 /nfs/dbraw/zinc/94/89/51/387948951.db2.gz OSOIMYLURCYHLX-FQUUOJAGSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423164676 387948953 /nfs/dbraw/zinc/94/89/53/387948953.db2.gz OSOIMYLURCYHLX-FQUUOJAGSA-N 1 3 240.391 1.920 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCC1 ZINC000423166184 387950465 /nfs/dbraw/zinc/95/04/65/387950465.db2.gz QUVRZTLDGUOGBF-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423166673 387950786 /nfs/dbraw/zinc/95/07/86/387950786.db2.gz VRLUZAMIMVJPDT-MROQNXINSA-N 1 3 226.364 1.255 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423172453 387959466 /nfs/dbraw/zinc/95/94/66/387959466.db2.gz SYZYMNWRSYNGIA-AVGNSLFASA-N 1 3 228.380 1.637 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2cncn2c1 ZINC000423172446 387959889 /nfs/dbraw/zinc/95/98/89/387959889.db2.gz SYCKXIODLJABKH-JSGCOSHPSA-N 1 3 244.342 1.551 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCCC2)[C@H](C)O1 ZINC000423176604 387961911 /nfs/dbraw/zinc/96/19/11/387961911.db2.gz HGDWZIFVHBZAJI-GRYCIOLGSA-N 1 3 226.364 1.804 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000423178713 387964183 /nfs/dbraw/zinc/96/41/83/387964183.db2.gz GLSIEARRKQVNDS-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO CCC1(CC)[C@@H](NCC[NH3+])C[C@@H]1OC ZINC000423180121 387965628 /nfs/dbraw/zinc/96/56/28/387965628.db2.gz IDYJZWWWKHBYSL-UWVGGRQHSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CS[C@@H](C)C1 ZINC000423179719 387966632 /nfs/dbraw/zinc/96/66/32/387966632.db2.gz JVCLDKRTELVFPO-XKNYDFJKSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@@H](CCc1ccc(F)cc1F)NCC[NH3+] ZINC000423180729 387966673 /nfs/dbraw/zinc/96/66/73/387966673.db2.gz ITDYLWBXICVSNK-VIFPVBQESA-N 1 3 228.286 1.834 20 0 BDADHO [NH3+]CCCN[C@@H]1CCc2ccccc2OC1 ZINC000423184737 387969877 /nfs/dbraw/zinc/96/98/77/387969877.db2.gz INUFQUKJMVKSNF-GFCCVEGCSA-N 1 3 220.316 1.319 20 0 BDADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CS1 ZINC000423191434 387976615 /nfs/dbraw/zinc/97/66/15/387976615.db2.gz SWQIIHLMSRLROL-LAVVOLMRSA-N 1 3 226.389 1.753 20 0 BDADHO CCO[C@H]1C[C@@H](NCC[NH3+])C1(CC)CC ZINC000423192997 387977324 /nfs/dbraw/zinc/97/73/24/387977324.db2.gz WDPNAEQAMKVGRP-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423201217 387987674 /nfs/dbraw/zinc/98/76/74/387987674.db2.gz OBRUFALNVHRTNZ-UPJWGTAASA-N 1 3 238.375 1.533 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423201217 387987677 /nfs/dbraw/zinc/98/76/77/387987677.db2.gz OBRUFALNVHRTNZ-UPJWGTAASA-N 1 3 238.375 1.533 20 0 BDADHO CCOC(=O)C1(C)CCC([NH2+]CCCN)CC1 ZINC000423197540 387983575 /nfs/dbraw/zinc/98/35/75/387983575.db2.gz ZUOJQTLSULIFGC-UHFFFAOYSA-N 1 3 242.363 1.437 20 0 BDADHO C[NH2+]CCCN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423199317 387985443 /nfs/dbraw/zinc/98/54/43/387985443.db2.gz JQUJDVXILLNSPE-VXGBXAGGSA-N 1 3 228.380 1.778 20 0 BDADHO CCN1C[C@H](C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216103 387997676 /nfs/dbraw/zinc/99/76/76/387997676.db2.gz PLCPOCSXHZXXPX-BEUHCMRWSA-N 1 3 237.391 1.199 20 0 BDADHO CC(C)CCOCCN(C)CC(C)(C)C[NH3+] ZINC000086638432 135091638 /nfs/dbraw/zinc/09/16/38/135091638.db2.gz NJWNLEFJTKKGPH-UHFFFAOYSA-N 1 3 230.396 1.966 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423228404 388013873 /nfs/dbraw/zinc/01/38/73/388013873.db2.gz ZLZHICYQMQXHPZ-IGQOVBAYSA-N 1 3 240.391 1.909 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423230284 388015205 /nfs/dbraw/zinc/01/52/05/388015205.db2.gz DFKOYHSFRLBGGT-GRYCIOLGSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423252007 388032862 /nfs/dbraw/zinc/03/28/62/388032862.db2.gz SUKJAYYKTUDFQU-GHMZBOCLSA-N 1 3 208.305 1.930 20 0 BDADHO CNC[C@@H](C)C[NH2+]C1CCC(COC)CC1 ZINC000423256567 388036726 /nfs/dbraw/zinc/03/67/26/388036726.db2.gz CAFMQCANKRPKPH-PNESKVBLSA-N 1 3 228.380 1.637 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H](C[NH3+])CC(C)C ZINC000423258847 388038530 /nfs/dbraw/zinc/03/85/30/388038530.db2.gz CQKILUJNGMWZLA-AXFHLTTASA-N 1 3 202.342 1.373 20 0 BDADHO COC[C@H](N[C@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261986 388039714 /nfs/dbraw/zinc/03/97/14/388039714.db2.gz LGTRLADKUQYDBB-RYUDHWBXSA-N 1 3 214.353 1.374 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000423266175 388043785 /nfs/dbraw/zinc/04/37/85/388043785.db2.gz CYJIOESYAFTMEY-YFKTTZPYSA-N 1 3 228.380 1.491 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000423266175 388043787 /nfs/dbraw/zinc/04/37/87/388043787.db2.gz CYJIOESYAFTMEY-YFKTTZPYSA-N 1 3 228.380 1.491 20 0 BDADHO Cn1nccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446886005 388043880 /nfs/dbraw/zinc/04/38/80/388043880.db2.gz DAEMXWXZTJPHTO-UHFFFAOYSA-N 1 3 248.374 1.384 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H](COC)C1CCCC1 ZINC000423269938 388026688 /nfs/dbraw/zinc/02/66/88/388026688.db2.gz HKALGWFXLHNUSM-WCQYABFASA-N 1 3 228.380 1.637 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](COC)C1CCCC1 ZINC000423269938 388026691 /nfs/dbraw/zinc/02/66/91/388026691.db2.gz HKALGWFXLHNUSM-WCQYABFASA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](NC[C@H](N)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244551 388027697 /nfs/dbraw/zinc/02/76/97/388027697.db2.gz HRSQNVZJZVXTPU-VHDGCEQUSA-N 1 3 247.386 1.807 20 0 BDADHO C[NH2+]CCNC1CCC(C(F)F)CC1 ZINC000423243896 388027704 /nfs/dbraw/zinc/02/77/04/388027704.db2.gz KRFHNBHAWQNPMZ-UHFFFAOYSA-N 1 3 206.280 1.619 20 0 BDADHO CC[C@H](NCC[C@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249057 388031464 /nfs/dbraw/zinc/03/14/64/388031464.db2.gz OECHOEUGUAWHBO-NEPJUHHUSA-N 1 3 236.363 1.460 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423278576 388060186 /nfs/dbraw/zinc/06/01/86/388060186.db2.gz QWQIYTSIQSUZRF-CYZMBNFOSA-N 1 3 225.380 1.042 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H](C)Cc1ccoc1 ZINC000423285741 388068273 /nfs/dbraw/zinc/06/82/73/388068273.db2.gz ZYIVDOCFYYMSNG-WDEREUQCSA-N 1 3 210.321 1.656 20 0 BDADHO C[C@H]1CC[C@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000084048027 388069632 /nfs/dbraw/zinc/06/96/32/388069632.db2.gz LQLUBQNFGDQOKT-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1CC[C@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000084048027 388069636 /nfs/dbraw/zinc/06/96/36/388069636.db2.gz LQLUBQNFGDQOKT-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000084048024 388071113 /nfs/dbraw/zinc/07/11/13/388071113.db2.gz LQLUBQNFGDQOKT-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000084048024 388071117 /nfs/dbraw/zinc/07/11/17/388071117.db2.gz LQLUBQNFGDQOKT-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084215796 388073875 /nfs/dbraw/zinc/07/38/75/388073875.db2.gz OFTVTCAOYWIPSP-OLZOCXBDSA-N 1 3 228.380 1.909 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H](COC)C(C)C ZINC000423289727 388074836 /nfs/dbraw/zinc/07/48/36/388074836.db2.gz XWXPUMYOBUNEGR-NSHDSACASA-N 1 3 216.369 1.765 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H](COC)C(C)C ZINC000423289727 388074839 /nfs/dbraw/zinc/07/48/39/388074839.db2.gz XWXPUMYOBUNEGR-NSHDSACASA-N 1 3 216.369 1.765 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000423296965 388079036 /nfs/dbraw/zinc/07/90/36/388079036.db2.gz ICOJFBMLOXDIKI-XJFOESAGSA-N 1 3 241.423 1.822 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@@H](C)OC ZINC000423298333 388079963 /nfs/dbraw/zinc/07/99/63/388079963.db2.gz OCCOFGMYWXOACU-GMTAPVOTSA-N 1 3 202.342 1.517 20 0 BDADHO CC(C)OCCCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495174 388103150 /nfs/dbraw/zinc/10/31/50/388103150.db2.gz YKBLRDCPEFMJQT-QWHCGFSZSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCCOCC1)CN1CCCC1 ZINC000086874595 388109365 /nfs/dbraw/zinc/10/93/65/388109365.db2.gz AWWTWSWUSLPNAS-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO NC[C@H]([NH2+][C@H]1CCCc2occc21)C1CC1 ZINC000423268797 388048425 /nfs/dbraw/zinc/04/84/25/388048425.db2.gz DYSIOFPNTCVLJR-RYUDHWBXSA-N 1 3 220.316 1.984 20 0 BDADHO COC[C@H]([NH2+]CCCN1CCCC1)C(C)C ZINC000083399761 388050737 /nfs/dbraw/zinc/05/07/37/388050737.db2.gz MNBPSECKIWKEIN-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@H](NCCC[NH+]1CCCC1)C(C)C ZINC000083399761 388050742 /nfs/dbraw/zinc/05/07/42/388050742.db2.gz MNBPSECKIWKEIN-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H](CO)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000163989575 388120223 /nfs/dbraw/zinc/12/02/23/388120223.db2.gz DTQVZKCLGPXXKM-XDTLVQLUSA-N 1 3 220.316 1.492 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)C2(N)CCCC2)c1 ZINC000489493864 388218243 /nfs/dbraw/zinc/21/82/43/388218243.db2.gz GNXUCLQJCCQCFK-UHFFFAOYSA-N 1 3 247.342 1.616 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)C1(C)C ZINC000451489858 388277231 /nfs/dbraw/zinc/27/72/31/388277231.db2.gz HSUUNVYYKCXPNG-FRRDWIJNSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@H](NCC[C@H]2CCC[N@@H+]2C)C1(C)C ZINC000451489858 388277232 /nfs/dbraw/zinc/27/72/32/388277232.db2.gz HSUUNVYYKCXPNG-FRRDWIJNSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@H](NCC[C@H]2CCC[N@H+]2C)C1(C)C ZINC000451489858 388277234 /nfs/dbraw/zinc/27/72/34/388277234.db2.gz HSUUNVYYKCXPNG-FRRDWIJNSA-N 1 3 240.391 1.874 20 0 BDADHO Cn1nccc1CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000300066179 388348339 /nfs/dbraw/zinc/34/83/39/388348339.db2.gz QBMLAGXPFHSJDH-UBHSHLNASA-N 1 3 248.374 1.022 20 0 BDADHO COc1ccccc1C[C@H](C)N[C@@H](C)C[NH3+] ZINC000234908583 388362836 /nfs/dbraw/zinc/36/28/36/388362836.db2.gz WRAPVMHIPPPZGR-QWRGUYRKSA-N 1 3 222.332 1.563 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCOCC1CC1 ZINC000236162749 388378686 /nfs/dbraw/zinc/37/86/86/388378686.db2.gz GMWSAGRMXLCSMO-VXGBXAGGSA-N 1 3 212.337 1.130 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCOCC1CC1 ZINC000236162749 388378689 /nfs/dbraw/zinc/37/86/89/388378689.db2.gz GMWSAGRMXLCSMO-VXGBXAGGSA-N 1 3 212.337 1.130 20 0 BDADHO CCCC[C@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236848412 388385048 /nfs/dbraw/zinc/38/50/48/388385048.db2.gz AZTRSRQPETYLJE-ZDUSSCGKSA-N 1 3 249.358 1.862 20 0 BDADHO N[C@H](CC(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578703 388388716 /nfs/dbraw/zinc/38/87/16/388388716.db2.gz BIMIZWQWZBUZNZ-SECBINFHSA-N 1 3 243.257 1.066 20 0 BDADHO C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCNCC1(C)C ZINC000300861953 388399601 /nfs/dbraw/zinc/39/96/01/388399601.db2.gz PIUBPIKVNSPJER-SRVKXCTJSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](CCO)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000397649296 388486554 /nfs/dbraw/zinc/48/65/54/388486554.db2.gz WBZVPNXYIDESPT-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)CN(C)C ZINC000340392667 388490154 /nfs/dbraw/zinc/49/01/54/388490154.db2.gz ZWQHATJJWFPRDJ-UPJWGTAASA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](F)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340467029 388490890 /nfs/dbraw/zinc/49/08/90/388490890.db2.gz NWNVTRXLRWMESY-SRVKXCTJSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@H](F)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340467029 388490891 /nfs/dbraw/zinc/49/08/91/388490891.db2.gz NWNVTRXLRWMESY-SRVKXCTJSA-N 1 3 214.328 1.951 20 0 BDADHO CN(C)Cc1ccc(C(=O)N(C)CCC[NH3+])cc1 ZINC000646782947 388500803 /nfs/dbraw/zinc/50/08/03/388500803.db2.gz DQHFRLJJGMVITE-UHFFFAOYSA-N 1 3 249.358 1.169 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CN1C1CC1 ZINC000344308494 388506065 /nfs/dbraw/zinc/50/60/65/388506065.db2.gz YTPAZAWHDNYXON-JSGCOSHPSA-N 1 3 249.402 1.463 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CN1C1CC1 ZINC000344308498 388506310 /nfs/dbraw/zinc/50/63/10/388506310.db2.gz YTPAZAWHDNYXON-TZMCWYRMSA-N 1 3 249.402 1.463 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000348152225 388525635 /nfs/dbraw/zinc/52/56/35/388525635.db2.gz BHJHPNKJPYHSFC-IMSYWVGJSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000348152225 388525637 /nfs/dbraw/zinc/52/56/37/388525637.db2.gz BHJHPNKJPYHSFC-IMSYWVGJSA-N 1 3 218.291 1.712 20 0 BDADHO CO[C@@H](CN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000379221210 388599556 /nfs/dbraw/zinc/59/95/56/388599556.db2.gz PVBSCTATORFXQW-OCCSQVGLSA-N 1 3 234.343 1.655 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224613234 388667468 /nfs/dbraw/zinc/66/74/68/388667468.db2.gz GBLFIPOKBVGAII-RYUDHWBXSA-N 1 3 228.405 1.943 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCSC1 ZINC000224613234 388667470 /nfs/dbraw/zinc/66/74/70/388667470.db2.gz GBLFIPOKBVGAII-RYUDHWBXSA-N 1 3 228.405 1.943 20 0 BDADHO COC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000248419433 388678544 /nfs/dbraw/zinc/67/85/44/388678544.db2.gz VCEHBRZGTIQUMB-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO COC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248419433 388678547 /nfs/dbraw/zinc/67/85/47/388678547.db2.gz VCEHBRZGTIQUMB-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC23CCC3)[C@@H]1C ZINC000530216041 388629085 /nfs/dbraw/zinc/62/90/85/388629085.db2.gz MCUPNQKACGFBTD-WISYIIOYSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCOC1 ZINC000530224243 388634309 /nfs/dbraw/zinc/63/43/09/388634309.db2.gz VRERNHRQMRZOTQ-RWMBFGLXSA-N 1 3 238.375 1.676 20 0 BDADHO C(C[C@@H]1CCOC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000530243894 388636418 /nfs/dbraw/zinc/63/64/18/388636418.db2.gz INLBGGJAFYCSKN-VXGBXAGGSA-N 1 3 224.348 1.287 20 0 BDADHO COC[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000125993360 388684953 /nfs/dbraw/zinc/68/49/53/388684953.db2.gz AJCQAEFGJDTUQY-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000125993360 388684954 /nfs/dbraw/zinc/68/49/54/388684954.db2.gz AJCQAEFGJDTUQY-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000125993360 388684955 /nfs/dbraw/zinc/68/49/55/388684955.db2.gz AJCQAEFGJDTUQY-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CCN1CC[C@H]([NH2+]CCN(C)C(C)C)[C@@H](C)C1 ZINC000247095759 388659099 /nfs/dbraw/zinc/65/90/99/388659099.db2.gz RZQWFTWAZCDXSE-KBPBESRZSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000247295815 388662498 /nfs/dbraw/zinc/66/24/98/388662498.db2.gz HQDFXUUXCBIYGB-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000247295815 388662499 /nfs/dbraw/zinc/66/24/99/388662499.db2.gz HQDFXUUXCBIYGB-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000251104259 388745327 /nfs/dbraw/zinc/74/53/27/388745327.db2.gz KHLBDTMVCWBFDD-ZDEQEGDKSA-N 1 3 226.364 1.255 20 0 BDADHO NC[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251529493 388748140 /nfs/dbraw/zinc/74/81/40/388748140.db2.gz XLMCKLCVFNAMPS-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251529493 388748142 /nfs/dbraw/zinc/74/81/42/388748142.db2.gz XLMCKLCVFNAMPS-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H]2CCCOC2)C1 ZINC000251529493 388748144 /nfs/dbraw/zinc/74/81/44/388748144.db2.gz XLMCKLCVFNAMPS-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@H](CNCC1=CCCOC1)C[NH+]1CCCC1 ZINC000126594784 388698669 /nfs/dbraw/zinc/69/86/69/388698669.db2.gz KWJYVLFACXAAHR-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO C[C@@H](C[NH2+]CC1=CCCOC1)CN1CCCC1 ZINC000126594784 388698672 /nfs/dbraw/zinc/69/86/72/388698672.db2.gz KWJYVLFACXAAHR-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@H](C)OC)[C@H](C)C1 ZINC000249088224 388708822 /nfs/dbraw/zinc/70/88/22/388708822.db2.gz MVYMPXPVNGPWEO-WOPDTQHZSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@H](C)OC)[C@H](C)C1 ZINC000249088224 388708825 /nfs/dbraw/zinc/70/88/25/388708825.db2.gz MVYMPXPVNGPWEO-WOPDTQHZSA-N 1 3 214.353 1.341 20 0 BDADHO Cc1nc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000226313585 388714720 /nfs/dbraw/zinc/71/47/20/388714720.db2.gz PXFUGDYQGXKGTC-WDEREUQCSA-N 1 3 239.388 1.854 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000249321012 388716961 /nfs/dbraw/zinc/71/69/61/388716961.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000249321012 388716962 /nfs/dbraw/zinc/71/69/62/388716962.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249321012 388716964 /nfs/dbraw/zinc/71/69/64/388716964.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249321012 388716967 /nfs/dbraw/zinc/71/69/67/388716967.db2.gz GDVXPUZILIQSNS-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249499553 388723810 /nfs/dbraw/zinc/72/38/10/388723810.db2.gz HIODOOAIRIBOFF-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000249499553 388723811 /nfs/dbraw/zinc/72/38/11/388723811.db2.gz HIODOOAIRIBOFF-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000252937907 388793619 /nfs/dbraw/zinc/79/36/19/388793619.db2.gz HFMARUPKSYSHEC-IHRRRGAJSA-N 1 3 240.391 1.731 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1C[C@H](O)C1(C)C ZINC000253096407 388804139 /nfs/dbraw/zinc/80/41/39/388804139.db2.gz LSOPESNUDIMQDQ-UPJWGTAASA-N 1 3 240.391 1.610 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN[C@@H]1C[C@H](O)C1(C)C ZINC000253096407 388804142 /nfs/dbraw/zinc/80/41/42/388804142.db2.gz LSOPESNUDIMQDQ-UPJWGTAASA-N 1 3 240.391 1.610 20 0 BDADHO [NH3+]CCCN(Cc1ccccc1)C[C@@H]1CCOC1 ZINC000230001134 388809572 /nfs/dbraw/zinc/80/95/72/388809572.db2.gz CTNYPMQFSNATPF-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000230001134 388809573 /nfs/dbraw/zinc/80/95/73/388809573.db2.gz CTNYPMQFSNATPF-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@H+](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000230001134 388809574 /nfs/dbraw/zinc/80/95/74/388809574.db2.gz CTNYPMQFSNATPF-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCCO ZINC000229109126 388780406 /nfs/dbraw/zinc/78/04/06/388780406.db2.gz WGXCUJALEJBVFY-NEPJUHHUSA-N 1 3 214.353 1.256 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300006942 388844849 /nfs/dbraw/zinc/84/48/49/388844849.db2.gz WZTRCIHZRCNMBQ-CHWSQXEVSA-N 1 3 238.375 1.759 20 0 BDADHO CC[C@@H]1CN(CCc2ccnn2C)CC[C@H]1[NH3+] ZINC000300015585 388848074 /nfs/dbraw/zinc/84/80/74/388848074.db2.gz GEDBKNTXRHDDKM-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000565718153 388966428 /nfs/dbraw/zinc/96/64/28/388966428.db2.gz HKONPHPLPALHIG-SDDRHHMPSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000565718153 388966426 /nfs/dbraw/zinc/96/64/26/388966426.db2.gz HKONPHPLPALHIG-SDDRHHMPSA-N 1 3 241.379 1.055 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357499 388938668 /nfs/dbraw/zinc/93/86/68/388938668.db2.gz FUZQWJWGUWQYNM-WCFLWFBJSA-N 1 3 240.391 1.765 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000566088221 388986321 /nfs/dbraw/zinc/98/63/21/388986321.db2.gz LUPCMLRFXMDDNQ-HBNTYKKESA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H](NCCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000566089086 388986957 /nfs/dbraw/zinc/98/69/57/388986957.db2.gz MRYDZXJORPYPRN-SNVBAGLBSA-N 1 3 247.342 1.571 20 0 BDADHO C[N@H+]1CC=C(CNCc2ccncc2)CC1 ZINC000271873129 389026170 /nfs/dbraw/zinc/02/61/70/389026170.db2.gz YLIJKZPQDWOOAL-UHFFFAOYSA-N 1 3 217.316 1.433 20 0 BDADHO C[N@@H+]1CC=C(CNCc2ccncc2)CC1 ZINC000271873129 389026172 /nfs/dbraw/zinc/02/61/72/389026172.db2.gz YLIJKZPQDWOOAL-UHFFFAOYSA-N 1 3 217.316 1.433 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000274423388 389046600 /nfs/dbraw/zinc/04/66/00/389046600.db2.gz LWRMCQVZTNEZSZ-ZJUUUORDSA-N 1 3 210.325 1.401 20 0 BDADHO C[C@H](NCCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491248 389033423 /nfs/dbraw/zinc/03/34/23/389033423.db2.gz NBQBNOSYYBXPDO-ZFWWWQNUSA-N 1 3 248.370 1.479 20 0 BDADHO C[C@H](NCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491248 389033428 /nfs/dbraw/zinc/03/34/28/389033428.db2.gz NBQBNOSYYBXPDO-ZFWWWQNUSA-N 1 3 248.370 1.479 20 0 BDADHO C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCNC1 ZINC000335019553 533369208 /nfs/dbraw/zinc/36/92/08/533369208.db2.gz PXNXXJWKVICCLG-VXGBXAGGSA-N 1 3 208.349 1.908 20 0 BDADHO C[C@@H]([NH2+]CC1CCSCC1)[C@H]1CCCN1 ZINC000400611685 533369205 /nfs/dbraw/zinc/36/92/05/533369205.db2.gz YOQHENIUXSKKJN-ZYHUDNBSSA-N 1 3 228.405 1.860 20 0 BDADHO C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000168739929 533372013 /nfs/dbraw/zinc/37/20/13/533372013.db2.gz BDUVJRBPKKCHBC-RYUDHWBXSA-N 1 3 212.337 1.287 20 0 BDADHO C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000168740025 533372528 /nfs/dbraw/zinc/37/25/28/533372528.db2.gz BDUVJRBPKKCHBC-NWDGAFQWSA-N 1 3 212.337 1.287 20 0 BDADHO Cc1cnccc1N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368450759 132283513 /nfs/dbraw/zinc/28/35/13/132283513.db2.gz SPJYAWHDVBNCRT-TZMCWYRMSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cnccc1N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000368450759 132283514 /nfs/dbraw/zinc/28/35/14/132283514.db2.gz SPJYAWHDVBNCRT-TZMCWYRMSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1c[nH+]ccc1N1CC[C@H]2CCN(C)[C@@H]2C1 ZINC000368450759 132283515 /nfs/dbraw/zinc/28/35/15/132283515.db2.gz SPJYAWHDVBNCRT-TZMCWYRMSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cccnc1N1CCN(CCCC[NH3+])CC1 ZINC000051040737 132359702 /nfs/dbraw/zinc/35/97/02/132359702.db2.gz MVFVUJCOFJOOHD-UHFFFAOYSA-N 1 3 248.374 1.251 20 0 BDADHO c1c[nH]c([C@H]2CCCCN2CC2CC[NH2+]CC2)n1 ZINC000336056532 134066977 /nfs/dbraw/zinc/06/69/77/134066977.db2.gz UXJBJQKTWHJDRU-CYBMUJFWSA-N 1 3 248.374 1.936 20 0 BDADHO CC[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000225155002 134351434 /nfs/dbraw/zinc/35/14/34/134351434.db2.gz VZACEFXOPGBZAC-LBPRGKRZSA-N 1 3 214.353 1.220 20 0 BDADHO Cc1nc(CC[NH2+]C[C@@H](N)CC(C)C)cs1 ZINC000226468203 134363698 /nfs/dbraw/zinc/36/36/98/134363698.db2.gz SNDNHZAVPJCWCP-NSHDSACASA-N 1 3 241.404 1.957 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000227430377 134380056 /nfs/dbraw/zinc/38/00/56/134380056.db2.gz LWYXLIKNPJKLRU-UPJWGTAASA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062033275 134805603 /nfs/dbraw/zinc/80/56/03/134805603.db2.gz JUFXFRJLEXIZQL-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251801138 135077767 /nfs/dbraw/zinc/07/77/67/135077767.db2.gz YKLGLHWILXGARU-RDBSUJKOSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251801138 135077770 /nfs/dbraw/zinc/07/77/70/135077770.db2.gz YKLGLHWILXGARU-RDBSUJKOSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCOCC2)CC[C@H]1N ZINC000251853320 135079023 /nfs/dbraw/zinc/07/90/23/135079023.db2.gz RRIWELIHBCUNAK-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1N ZINC000251853320 135079024 /nfs/dbraw/zinc/07/90/24/135079024.db2.gz RRIWELIHBCUNAK-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251853320 135079026 /nfs/dbraw/zinc/07/90/26/135079026.db2.gz RRIWELIHBCUNAK-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000252713739 135100414 /nfs/dbraw/zinc/10/04/14/135100414.db2.gz QBKNZEFZMHJDCV-DGCLKSJQSA-N 1 3 236.363 1.121 20 0 BDADHO CCC1(CN2CCC([NH2+]C)CC2)CCOCC1 ZINC000261544339 135109122 /nfs/dbraw/zinc/10/91/22/135109122.db2.gz DTAWBCKQKLSIEG-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CCC1(C[NH+]2CCC(NC)CC2)CCOCC1 ZINC000261544339 135109123 /nfs/dbraw/zinc/10/91/23/135109123.db2.gz DTAWBCKQKLSIEG-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000253069078 135120048 /nfs/dbraw/zinc/12/00/48/135120048.db2.gz LIIJGHWEHZTNSE-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO c1ncc(CN2CCC3(CC[NH2+]C3)CC2)s1 ZINC000257678195 135139304 /nfs/dbraw/zinc/13/93/04/135139304.db2.gz KIOHVQMCSPSCQW-UHFFFAOYSA-N 1 3 237.372 1.719 20 0 BDADHO Cc1ncccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257708618 135140484 /nfs/dbraw/zinc/14/04/84/135140484.db2.gz SDTAVKFVMYVVLZ-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO Cc1cc(C)c(C[N@H+](C)C[C@H](O)CN)c(C)c1 ZINC000259221193 135141286 /nfs/dbraw/zinc/14/12/86/135141286.db2.gz XOJFJHJZEZSKDL-CYBMUJFWSA-N 1 3 236.359 1.363 20 0 BDADHO Cc1cc(C)c(C[N@@H+](C)C[C@H](O)CN)c(C)c1 ZINC000259221193 135141288 /nfs/dbraw/zinc/14/12/88/135141288.db2.gz XOJFJHJZEZSKDL-CYBMUJFWSA-N 1 3 236.359 1.363 20 0 BDADHO CO[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261529143 135154844 /nfs/dbraw/zinc/15/48/44/135154844.db2.gz PILAFLIPZYKKBG-VWYCJHECSA-N 1 3 200.326 1.128 20 0 BDADHO CCSCC[NH2+][C@H]1CCNCC1(C)C ZINC000261529188 135154954 /nfs/dbraw/zinc/15/49/54/135154954.db2.gz QDAYLEASLNGCMC-JTQLQIEISA-N 1 3 216.394 1.717 20 0 BDADHO CCSCCN[C@H]1CC[NH2+]CC1(C)C ZINC000261529188 135154956 /nfs/dbraw/zinc/15/49/56/135154956.db2.gz QDAYLEASLNGCMC-JTQLQIEISA-N 1 3 216.394 1.717 20 0 BDADHO NC[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261529094 135155251 /nfs/dbraw/zinc/15/52/51/135155251.db2.gz OYCTVCKCAJTAPU-VHSXEESVSA-N 1 3 200.351 1.020 20 0 BDADHO NC[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261529094 135155252 /nfs/dbraw/zinc/15/52/52/135155252.db2.gz OYCTVCKCAJTAPU-VHSXEESVSA-N 1 3 200.351 1.020 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccs3)C[C@@H]12 ZINC000261529567 135155933 /nfs/dbraw/zinc/15/59/33/135155933.db2.gz BBGPTALPLNSOEG-MVWJERBFSA-N 1 3 222.357 1.917 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CC(C)(C)COC)C1 ZINC000261529700 135156791 /nfs/dbraw/zinc/15/67/91/135156791.db2.gz BKPGRDBQAXAXDF-NSHDSACASA-N 1 3 214.353 1.200 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H](C)[NH3+])C1(C)C ZINC000261530559 135157993 /nfs/dbraw/zinc/15/79/93/135157993.db2.gz CQVGNIDIAYOOEC-ZRUFSTJUSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@]1(CN2CCCC3(CC3)C2)CC[NH2+]C1 ZINC000261532874 135164359 /nfs/dbraw/zinc/16/43/59/135164359.db2.gz ANZZJBGIUMWINI-LBPRGKRZSA-N 1 3 208.349 1.862 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)C1CCOCC1 ZINC000261535434 135169548 /nfs/dbraw/zinc/16/95/48/135169548.db2.gz YVGZDIXEOAOPIS-WCFLWFBJSA-N 1 3 226.364 1.519 20 0 BDADHO CN(CC[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000261535290 135169769 /nfs/dbraw/zinc/16/97/69/135169769.db2.gz YBDYWKYJMNSYKY-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@H+](CC[C@H]1CCCO1)[C@H]1CCCNCC1 ZINC000261535290 135169770 /nfs/dbraw/zinc/16/97/70/135169770.db2.gz YBDYWKYJMNSYKY-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@@H+](CC[C@H]1CCCO1)[C@H]1CCCNCC1 ZINC000261535290 135169772 /nfs/dbraw/zinc/16/97/72/135169772.db2.gz YBDYWKYJMNSYKY-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO Cc1ccccc1C[N@H+]1CC[C@@H](N)[C@H]1C ZINC000261536393 135172326 /nfs/dbraw/zinc/17/23/26/135172326.db2.gz ROLNNQWVQFDLHN-DGCLKSJQSA-N 1 3 204.317 1.917 20 0 BDADHO Cc1ccccc1C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC000261536393 135172327 /nfs/dbraw/zinc/17/23/27/135172327.db2.gz ROLNNQWVQFDLHN-DGCLKSJQSA-N 1 3 204.317 1.917 20 0 BDADHO CC(C)OCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261537852 135174985 /nfs/dbraw/zinc/17/49/85/135174985.db2.gz WLOKXUNHFYPQAR-SDDRHHMPSA-N 1 3 212.337 1.081 20 0 BDADHO COCC(C)(C)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261538044 135175541 /nfs/dbraw/zinc/17/55/41/135175541.db2.gz XGSBIOFQTSSAKU-MNOVXSKESA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000261538044 135175542 /nfs/dbraw/zinc/17/55/42/135175542.db2.gz XGSBIOFQTSSAKU-MNOVXSKESA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000261538044 135175543 /nfs/dbraw/zinc/17/55/43/135175543.db2.gz XGSBIOFQTSSAKU-MNOVXSKESA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261538046 135175924 /nfs/dbraw/zinc/17/59/24/135175924.db2.gz XGSBIOFQTSSAKU-WDEREUQCSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000261538046 135175926 /nfs/dbraw/zinc/17/59/26/135175926.db2.gz XGSBIOFQTSSAKU-WDEREUQCSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000261538046 135175928 /nfs/dbraw/zinc/17/59/28/135175928.db2.gz XGSBIOFQTSSAKU-WDEREUQCSA-N 1 3 214.353 1.328 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1(C)C ZINC000261541298 135180811 /nfs/dbraw/zinc/18/08/11/135180811.db2.gz JOUPHPIVWJOOLU-ZDEQEGDKSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H]1CCSCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261544524 135185984 /nfs/dbraw/zinc/18/59/84/135185984.db2.gz IYRKAOYZBPUQBP-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC000261548902 135187611 /nfs/dbraw/zinc/18/76/11/135187611.db2.gz OAOPSRSJSOXDDF-TZMCWYRMSA-N 1 3 233.359 1.198 20 0 BDADHO C[C@@H]1C[C@@H](NCC[NH3+])CN1Cc1ccccc1 ZINC000261548902 135187613 /nfs/dbraw/zinc/18/76/13/135187613.db2.gz OAOPSRSJSOXDDF-TZMCWYRMSA-N 1 3 233.359 1.198 20 0 BDADHO CCC1(C[N@@H+]2CC[C@@H](N)[C@@H](C)C2)CCOCC1 ZINC000261553254 135192941 /nfs/dbraw/zinc/19/29/41/135192941.db2.gz NRAOLTIZDGRUQR-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@@H](N)[C@@H](C)C2)CCOCC1 ZINC000261553254 135192942 /nfs/dbraw/zinc/19/29/42/135192942.db2.gz NRAOLTIZDGRUQR-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(CN2CC[C@@H]([NH3+])[C@@H](C)C2)CCOCC1 ZINC000261553254 135192944 /nfs/dbraw/zinc/19/29/44/135192944.db2.gz NRAOLTIZDGRUQR-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084218296 135192989 /nfs/dbraw/zinc/19/29/89/135192989.db2.gz KXJORORWEYVVLU-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO CC1(C)CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000084384864 135217996 /nfs/dbraw/zinc/21/79/96/135217996.db2.gz ZHKJKWOYIPRTHV-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261576866 135218468 /nfs/dbraw/zinc/21/84/68/135218468.db2.gz KQCAVZUWPJXJKO-XQQFMLRXSA-N 1 3 228.380 1.645 20 0 BDADHO Cc1cnn(CCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261578733 135219636 /nfs/dbraw/zinc/21/96/36/135219636.db2.gz PAHLNELNJYDJQR-IHRRRGAJSA-N 1 3 248.374 1.251 20 0 BDADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000261596880 135236753 /nfs/dbraw/zinc/23/67/53/135236753.db2.gz ZAWUGJVUASMIOZ-OLZOCXBDSA-N 1 3 224.348 1.241 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261545979 135238615 /nfs/dbraw/zinc/23/86/15/135238615.db2.gz GNJOYDMIZFXODE-BFHYXJOUSA-N 1 3 231.343 1.559 20 0 BDADHO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261547703 135240690 /nfs/dbraw/zinc/24/06/90/135240690.db2.gz IOQJGLFXHJDNTG-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000261547703 135240692 /nfs/dbraw/zinc/24/06/92/135240692.db2.gz IOQJGLFXHJDNTG-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO CN(C)c1ccccc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261730553 135248249 /nfs/dbraw/zinc/24/82/49/135248249.db2.gz OFRXPCCJGKUZIN-OAHLLOKOSA-N 1 3 247.386 1.923 20 0 BDADHO C[C@]1(C[NH3+])CCN(Cc2cccc3c[nH]nc32)C1 ZINC000261728737 135248581 /nfs/dbraw/zinc/24/85/81/135248581.db2.gz OEHLCPQZYUHTKL-CQSZACIVSA-N 1 3 244.342 1.734 20 0 BDADHO C[C@]1(CN)CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728737 135248583 /nfs/dbraw/zinc/24/85/83/135248583.db2.gz OEHLCPQZYUHTKL-CQSZACIVSA-N 1 3 244.342 1.734 20 0 BDADHO C[C@]1(CN)CC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC000261728737 135248584 /nfs/dbraw/zinc/24/85/84/135248584.db2.gz OEHLCPQZYUHTKL-CQSZACIVSA-N 1 3 244.342 1.734 20 0 BDADHO COC(=O)C[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261879621 135258836 /nfs/dbraw/zinc/25/88/36/135258836.db2.gz QREZMKGUZROSEW-DGCLKSJQSA-N 1 3 240.347 1.014 20 0 BDADHO C[C@@H]1[C@H](C)N(C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000261928560 135263763 /nfs/dbraw/zinc/26/37/63/135263763.db2.gz LGZTUIATVLDGDA-FRRDWIJNSA-N 1 3 225.380 1.010 20 0 BDADHO C[C@]1(CN2CCC[C@H]3COCC[C@H]32)CC[NH2+]C1 ZINC000261954964 135265809 /nfs/dbraw/zinc/26/58/09/135265809.db2.gz GPDKQKCMUDHBMB-MJBXVCDLSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261963585 135267140 /nfs/dbraw/zinc/26/71/40/135267140.db2.gz ADYFISGTHTZKST-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CN(CC[C@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007761 135272039 /nfs/dbraw/zinc/27/20/39/135272039.db2.gz USVVRGSEVFUSSU-ICIURTGMSA-N 1 3 238.375 1.628 20 0 BDADHO Oc1ccc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC000262235532 135286459 /nfs/dbraw/zinc/28/64/59/135286459.db2.gz OLFBAKUSXBBZPY-UHFFFAOYSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@@]1(CN2CCN(C3CCC3)CC2)CC[NH2+]C1 ZINC000262245583 135287252 /nfs/dbraw/zinc/28/72/52/135287252.db2.gz POYYEEIWLTTZME-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCC[C@@H]1O ZINC000262213603 135290947 /nfs/dbraw/zinc/29/09/47/135290947.db2.gz LXPSJFVDNYXSOV-MCIONIFRSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)C[C@H]1CCCC[C@@H]1O ZINC000262213603 135290948 /nfs/dbraw/zinc/29/09/48/135290948.db2.gz LXPSJFVDNYXSOV-MCIONIFRSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)C[C@H]1CCCC[C@@H]1O ZINC000262213603 135290950 /nfs/dbraw/zinc/29/09/50/135290950.db2.gz LXPSJFVDNYXSOV-MCIONIFRSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H]([NH3+])CN1CCNC[C@H]1c1cccc(F)c1 ZINC000262297471 135291684 /nfs/dbraw/zinc/29/16/84/135291684.db2.gz WWPUUXALLLTQBY-GWCFXTLKSA-N 1 3 237.322 1.119 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC([NH3+])(CC)CC ZINC000262603433 135308100 /nfs/dbraw/zinc/30/81/00/135308100.db2.gz QWESZNWMAGJWJD-LLVKDONJSA-N 1 3 229.368 1.138 20 0 BDADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)N ZINC000262653154 135311241 /nfs/dbraw/zinc/31/12/41/135311241.db2.gz SHPPRYXKVQTIGJ-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(C)(C)N ZINC000262653154 135311243 /nfs/dbraw/zinc/31/12/43/135311243.db2.gz SHPPRYXKVQTIGJ-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[NH2+]C(C)(C)C ZINC000262712834 135314726 /nfs/dbraw/zinc/31/47/26/135314726.db2.gz SDYHSAXTZHQQTL-LBPRGKRZSA-N 1 3 229.368 1.008 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@@H]1CCCOC1 ZINC000348141633 136038917 /nfs/dbraw/zinc/03/89/17/136038917.db2.gz ZDFRSTGVUCLFPL-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H](NCC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567853 136108503 /nfs/dbraw/zinc/10/85/03/136108503.db2.gz GKBKYEFNWWIWGF-NEPJUHHUSA-N 1 3 248.374 1.868 20 0 BDADHO C[NH2+]CCCN(C)[C@H](C)CCSC ZINC000156881831 397927095 /nfs/dbraw/zinc/92/70/95/397927095.db2.gz QIDCASRMYHIWKQ-SNVBAGLBSA-N 1 3 204.383 1.669 20 0 BDADHO CNCCC[N@H+](C)[C@H](C)CCSC ZINC000156881831 397927104 /nfs/dbraw/zinc/92/71/04/397927104.db2.gz QIDCASRMYHIWKQ-SNVBAGLBSA-N 1 3 204.383 1.669 20 0 BDADHO CNCCC[N@@H+](C)[C@H](C)CCSC ZINC000156881831 397927108 /nfs/dbraw/zinc/92/71/08/397927108.db2.gz QIDCASRMYHIWKQ-SNVBAGLBSA-N 1 3 204.383 1.669 20 0 BDADHO C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCCN1 ZINC000564826142 398045657 /nfs/dbraw/zinc/04/56/57/398045657.db2.gz FERBMAFGZIDTNJ-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H](C)N1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649622687 398006702 /nfs/dbraw/zinc/00/67/02/398006702.db2.gz QUPVWAUXYQFFKZ-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H](C)N1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649622687 398006705 /nfs/dbraw/zinc/00/67/05/398006705.db2.gz QUPVWAUXYQFFKZ-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@H](C)N1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649622686 398007182 /nfs/dbraw/zinc/00/71/82/398007182.db2.gz QUPVWAUXYQFFKZ-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@H](C)N1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649622686 398007184 /nfs/dbraw/zinc/00/71/84/398007184.db2.gz QUPVWAUXYQFFKZ-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000383262632 398013712 /nfs/dbraw/zinc/01/37/12/398013712.db2.gz TWENTPMCNABILR-WTUNAVPPSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000383262632 398013714 /nfs/dbraw/zinc/01/37/14/398013714.db2.gz TWENTPMCNABILR-WTUNAVPPSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414826254 398048145 /nfs/dbraw/zinc/04/81/45/398048145.db2.gz VFQNEKCSPREFSN-SMDDNHRTSA-N 1 3 218.344 1.871 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1CCc2ccccc2C1 ZINC000414826254 398048147 /nfs/dbraw/zinc/04/81/47/398048147.db2.gz VFQNEKCSPREFSN-SMDDNHRTSA-N 1 3 218.344 1.871 20 0 BDADHO CC[C@H]1CN(Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000647934803 398034450 /nfs/dbraw/zinc/03/44/50/398034450.db2.gz REJIQZRGBQEURW-GXTWGEPZSA-N 1 3 233.359 1.828 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2c(c1)COC2 ZINC000414792301 398039522 /nfs/dbraw/zinc/03/95/22/398039522.db2.gz CCCVVFGBYFONNQ-IUODEOHRSA-N 1 3 246.354 1.934 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384711459 398103514 /nfs/dbraw/zinc/10/35/14/398103514.db2.gz GKZAHRRNLAQORW-QNWJLWSRSA-N 1 3 226.364 1.673 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccccc1CO ZINC000521609708 398097563 /nfs/dbraw/zinc/09/75/63/398097563.db2.gz IJVXIFZYRBGXMP-SMDDNHRTSA-N 1 3 234.343 1.396 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000393915702 398124908 /nfs/dbraw/zinc/12/49/08/398124908.db2.gz SRDFDBKAXUCHOF-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@@H]1CCC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000393915702 398124911 /nfs/dbraw/zinc/12/49/11/398124911.db2.gz SRDFDBKAXUCHOF-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@@H]1CCC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000393915702 398124915 /nfs/dbraw/zinc/12/49/15/398124915.db2.gz SRDFDBKAXUCHOF-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO COc1ccc(CNC[C@H](C)C[NH3+])cc1OC ZINC000258846392 322878659 /nfs/dbraw/zinc/87/86/59/322878659.db2.gz WWNUEDGQIVNYPF-SNVBAGLBSA-N 1 3 238.331 1.388 20 0 BDADHO CC[NH+]1CCC(CNCc2n[nH]cc2C)CC1 ZINC000685615058 487564461 /nfs/dbraw/zinc/56/44/61/487564461.db2.gz HXQZSVQUXQUIAM-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO CC(C)OCCCNCC1([NH3+])CCC1 ZINC000336749100 167219770 /nfs/dbraw/zinc/21/97/70/167219770.db2.gz DVFXRPSHMDJOGR-UHFFFAOYSA-N 1 3 200.326 1.273 20 0 BDADHO CO[C@@H](CN1CCC([NH3+])CC1)C1CCC1 ZINC000662241909 409528184 /nfs/dbraw/zinc/52/81/84/409528184.db2.gz YMMGXHHIPRCFHL-LBPRGKRZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@](C[NH3+])(NCCO[C@H]1CC1(F)F)C1CC1 ZINC000662246650 409545605 /nfs/dbraw/zinc/54/56/05/409545605.db2.gz ADZXQJRVCBUIOA-VHSXEESVSA-N 1 3 234.290 1.128 20 0 BDADHO C[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662253736 409552648 /nfs/dbraw/zinc/55/26/48/409552648.db2.gz CAMVOEVSNSBECC-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662253736 409552655 /nfs/dbraw/zinc/55/26/55/409552655.db2.gz CAMVOEVSNSBECC-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO Cc1noc(C)c1CNCCC1(C[NH3+])CC1 ZINC000650711940 410342268 /nfs/dbraw/zinc/34/22/68/410342268.db2.gz JWQQKCWSOCDQNC-UHFFFAOYSA-N 1 3 223.320 1.510 20 0 BDADHO C[C@H](CO)C1CC[NH+](CC(C)(C)N)CC1 ZINC000650714940 410347800 /nfs/dbraw/zinc/34/78/00/410347800.db2.gz IAOBMYHZHPOADU-SNVBAGLBSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@H](CO)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000650715197 410351183 /nfs/dbraw/zinc/35/11/83/410351183.db2.gz UBJAKLMEFMSWBX-OLZOCXBDSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@H](CO)C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000650715197 410351191 /nfs/dbraw/zinc/35/11/91/410351191.db2.gz UBJAKLMEFMSWBX-OLZOCXBDSA-N 1 3 240.391 1.326 20 0 BDADHO [NH3+]Cc1ccc(CNCC2CC2)c(F)c1 ZINC000650718287 410356252 /nfs/dbraw/zinc/35/62/52/410356252.db2.gz FWMKFTVYLBDNPL-UHFFFAOYSA-N 1 3 208.280 1.784 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C1CCCC1 ZINC000665277966 410749747 /nfs/dbraw/zinc/74/97/47/410749747.db2.gz RHKVJWZWMZGOJT-XSRFYTQQSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](NCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665277966 410749755 /nfs/dbraw/zinc/74/97/55/410749755.db2.gz RHKVJWZWMZGOJT-XSRFYTQQSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000309420017 167216696 /nfs/dbraw/zinc/21/66/96/167216696.db2.gz JTCCATGKWTULIJ-RYUDHWBXSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000309420017 167216698 /nfs/dbraw/zinc/21/66/98/167216698.db2.gz JTCCATGKWTULIJ-RYUDHWBXSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000309420017 167216700 /nfs/dbraw/zinc/21/67/00/167216700.db2.gz JTCCATGKWTULIJ-RYUDHWBXSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128144006 167246993 /nfs/dbraw/zinc/24/69/93/167246993.db2.gz QKNWLXXHBUJCKX-NEPJUHHUSA-N 1 3 214.353 1.484 20 0 BDADHO CC(C)OCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128144006 167246991 /nfs/dbraw/zinc/24/69/91/167246991.db2.gz QKNWLXXHBUJCKX-NEPJUHHUSA-N 1 3 214.353 1.484 20 0 BDADHO CCC[NH+]1CCC(N[C@@H](CO)CCF)CC1 ZINC000652024933 411081820 /nfs/dbraw/zinc/08/18/20/411081820.db2.gz PSCSXAPBTCOABL-GFCCVEGCSA-N 1 3 232.343 1.171 20 0 BDADHO COCC[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000045044483 411143633 /nfs/dbraw/zinc/14/36/33/411143633.db2.gz XFOAUPHLXATCJG-IHRRRGAJSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000651865710 411147650 /nfs/dbraw/zinc/14/76/50/411147650.db2.gz FMLKVAFEARLMQW-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO COC1([C@@H](C)[NH2+]C[C@H](C)CN(C)C)CCC1 ZINC000658018233 411198509 /nfs/dbraw/zinc/19/85/09/411198509.db2.gz PLLRCOGCXLWURJ-NWDGAFQWSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](CN[C@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019208 411199981 /nfs/dbraw/zinc/19/99/81/411199981.db2.gz WAHDMXJENSNGDB-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CCC1(O)CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000656198196 411202850 /nfs/dbraw/zinc/20/28/50/411202850.db2.gz MKGMHEBMVJEMAR-ZIHBUVQPSA-N 1 3 240.391 1.930 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000656198350 411203096 /nfs/dbraw/zinc/20/30/96/411203096.db2.gz PPGYKLJLZHIAFR-YVECIDJPSA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000656198349 411203183 /nfs/dbraw/zinc/20/31/83/411203183.db2.gz PPGYKLJLZHIAFR-MROQNXINSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@H](C)C1C[NH2+]C1 ZINC000656201064 411205864 /nfs/dbraw/zinc/20/58/64/411205864.db2.gz JHSSBYKNZIFHDQ-GHMZBOCLSA-N 1 3 219.332 1.210 20 0 BDADHO C[C@H](Cc1ccccn1)[NH2+][C@H](C)C1CNC1 ZINC000656201064 411205867 /nfs/dbraw/zinc/20/58/67/411205867.db2.gz JHSSBYKNZIFHDQ-GHMZBOCLSA-N 1 3 219.332 1.210 20 0 BDADHO CCCN1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000310258186 411230715 /nfs/dbraw/zinc/23/07/15/411230715.db2.gz PURRKEUXVNNMEH-CYBMUJFWSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCNc1ccccn1 ZINC000422827716 411233630 /nfs/dbraw/zinc/23/36/30/411233630.db2.gz FFKTWYGSQYGRLW-STQMWFEESA-N 1 3 248.374 1.471 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCCCC[C@@H]1N)C1CC1 ZINC000422883710 411233880 /nfs/dbraw/zinc/23/38/80/411233880.db2.gz VKTUNLYJJQJGOE-UONOGXRCSA-N 1 3 239.407 1.720 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422976201 411235212 /nfs/dbraw/zinc/23/52/12/411235212.db2.gz IBKPEEDPPVZVBF-KFWWJZLASA-N 1 3 248.370 1.970 20 0 BDADHO CCOC(=O)C1CCC(N[C@@H](C)C[NH2+]C)CC1 ZINC000596108760 411166786 /nfs/dbraw/zinc/16/67/86/411166786.db2.gz XVAJRSFSPHNASS-UNXYVOJBSA-N 1 3 242.363 1.306 20 0 BDADHO c1c(CNC2CCCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656468111 411279900 /nfs/dbraw/zinc/27/99/00/411279900.db2.gz UKMBISLHURVLSJ-ZDUSSCGKSA-N 1 3 249.362 1.235 20 0 BDADHO C[C@H](C[NH2+]Cc1ccc(CO)cc1)CN(C)C ZINC000383559582 411292159 /nfs/dbraw/zinc/29/21/59/411292159.db2.gz DPSNIANWIRRIHN-GFCCVEGCSA-N 1 3 236.359 1.466 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC3(F)CC3)C[C@@H]21 ZINC000309420163 411307111 /nfs/dbraw/zinc/30/71/11/411307111.db2.gz XUMCPRMISLXCHB-OUAUKWLOSA-N 1 3 212.312 1.548 20 0 BDADHO CC[N@H+](C[C@H](N)CC(C)C)[C@@H]1CCCOC1 ZINC000402727406 411310407 /nfs/dbraw/zinc/31/04/07/411310407.db2.gz ZTBTWJHDXFSOGJ-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC[N@@H+](C[C@H](N)CC(C)C)[C@@H]1CCCOC1 ZINC000402727406 411310410 /nfs/dbraw/zinc/31/04/10/411310410.db2.gz ZTBTWJHDXFSOGJ-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062071269 411325940 /nfs/dbraw/zinc/32/59/40/411325940.db2.gz ZYHLZEHWFLKYGJ-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071269 411325943 /nfs/dbraw/zinc/32/59/43/411325943.db2.gz ZYHLZEHWFLKYGJ-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO [NH3+]CCCNc1ccc([C@H]2CNCCO2)cc1 ZINC000656792399 411372681 /nfs/dbraw/zinc/37/26/81/411372681.db2.gz LKMCXROMZFOQEV-CYBMUJFWSA-N 1 3 235.331 1.108 20 0 BDADHO COC(=O)CCCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123476021 411367790 /nfs/dbraw/zinc/36/77/90/411367790.db2.gz SOWHDSMDMCUKSM-NWDGAFQWSA-N 1 3 242.363 1.354 20 0 BDADHO COC(=O)CCCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123476021 411367793 /nfs/dbraw/zinc/36/77/93/411367793.db2.gz SOWHDSMDMCUKSM-NWDGAFQWSA-N 1 3 242.363 1.354 20 0 BDADHO [NH3+]C1(CN[C@@H]2CCCSC2)CCCC1 ZINC000656789612 411369419 /nfs/dbraw/zinc/36/94/19/411369419.db2.gz SSYNEDBNVKTIOT-SNVBAGLBSA-N 1 3 214.378 1.743 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(CO)CC1 ZINC000122357407 411429725 /nfs/dbraw/zinc/42/97/25/411429725.db2.gz HPUCVGGNSLVZEG-CHWSQXEVSA-N 1 3 240.391 1.659 20 0 BDADHO CCO[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1CN ZINC000405550354 411434481 /nfs/dbraw/zinc/43/44/81/411434481.db2.gz YOOVXXWBTJDBBL-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO CCO[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1CN ZINC000405550354 411434483 /nfs/dbraw/zinc/43/44/83/411434483.db2.gz YOOVXXWBTJDBBL-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO CCO[C@@H]1CN(CCC2CCCC2)C[C@H]1C[NH3+] ZINC000405550354 411434484 /nfs/dbraw/zinc/43/44/84/411434484.db2.gz YOOVXXWBTJDBBL-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN ZINC000306285660 411441289 /nfs/dbraw/zinc/44/12/89/411441289.db2.gz JXUADLHGQYTHAD-VLEAKVRGSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@]1(CNCCc2ccccc2)CC[NH2+]C1 ZINC000415088838 411490685 /nfs/dbraw/zinc/49/06/85/411490685.db2.gz VRVYPNSQSWPPCS-AWEZNQCLSA-N 1 3 218.344 1.818 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CO[C@H](CC)C2)C1 ZINC000657327166 411465982 /nfs/dbraw/zinc/46/59/82/411465982.db2.gz ZCOLYUNJPWJDSC-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2CO[C@H](CC)C2)C1 ZINC000657327166 411465983 /nfs/dbraw/zinc/46/59/83/411465983.db2.gz ZCOLYUNJPWJDSC-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CO[C@H](CC)C2)C1 ZINC000657327166 411465985 /nfs/dbraw/zinc/46/59/85/411465985.db2.gz ZCOLYUNJPWJDSC-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000300921368 170007433 /nfs/dbraw/zinc/00/74/33/170007433.db2.gz DWMRCSBSGGDQPJ-RYUDHWBXSA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)OC)C[C@@H]1C ZINC000362183644 170009944 /nfs/dbraw/zinc/00/99/44/170009944.db2.gz PWANSSTZAJVPHL-NWDGAFQWSA-N 1 3 242.363 1.354 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)OC)C[C@@H]1C ZINC000362183644 170009945 /nfs/dbraw/zinc/00/99/45/170009945.db2.gz PWANSSTZAJVPHL-NWDGAFQWSA-N 1 3 242.363 1.354 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCN2CCC2)[C@@H](C)C1 ZINC000336780569 170011879 /nfs/dbraw/zinc/01/18/79/170011879.db2.gz RRDFKSKEYDERBU-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCN2CCC2)[C@@H](C)C1 ZINC000336780569 170011880 /nfs/dbraw/zinc/01/18/80/170011880.db2.gz RRDFKSKEYDERBU-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250332548 170015019 /nfs/dbraw/zinc/01/50/19/170015019.db2.gz ORCAHGSLGJRTPG-CHWSQXEVSA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@@H+]1CC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000250332548 170015020 /nfs/dbraw/zinc/01/50/20/170015020.db2.gz ORCAHGSLGJRTPG-CHWSQXEVSA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@H+]1CC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000250332548 170015021 /nfs/dbraw/zinc/01/50/21/170015021.db2.gz ORCAHGSLGJRTPG-CHWSQXEVSA-N 1 3 224.348 1.611 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000309469003 170016909 /nfs/dbraw/zinc/01/69/09/170016909.db2.gz UARYFVHIBRTFGB-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCO2)C1 ZINC000309469003 170016910 /nfs/dbraw/zinc/01/69/10/170016910.db2.gz UARYFVHIBRTFGB-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCO2)C1 ZINC000309469003 170016911 /nfs/dbraw/zinc/01/69/11/170016911.db2.gz UARYFVHIBRTFGB-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)OC)C[C@@H]1C ZINC000336673352 170019766 /nfs/dbraw/zinc/01/97/66/170019766.db2.gz KQHVNGLAHBKBSI-AVGNSLFASA-N 1 3 228.380 1.826 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)OC)C[C@@H]1C ZINC000336673352 170019768 /nfs/dbraw/zinc/01/97/68/170019768.db2.gz KQHVNGLAHBKBSI-AVGNSLFASA-N 1 3 228.380 1.826 20 0 BDADHO C(C[NH2+][C@@H]1COC2(CCC2)C1)CN1CCCC1 ZINC000657823933 411607763 /nfs/dbraw/zinc/60/77/63/411607763.db2.gz MDYRGCWAADSAJP-ZDUSSCGKSA-N 1 3 238.375 1.774 20 0 BDADHO C(CN[C@@H]1COC2(CCC2)C1)C[NH+]1CCCC1 ZINC000657823933 411607765 /nfs/dbraw/zinc/60/77/65/411607765.db2.gz MDYRGCWAADSAJP-ZDUSSCGKSA-N 1 3 238.375 1.774 20 0 BDADHO C[C@@H](O)CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660809 411614197 /nfs/dbraw/zinc/61/41/97/411614197.db2.gz AWGCXOMRKVMIFN-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](O)CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660809 411614199 /nfs/dbraw/zinc/61/41/99/411614199.db2.gz AWGCXOMRKVMIFN-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](CO)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665948 411616006 /nfs/dbraw/zinc/61/60/06/411616006.db2.gz ZZLZRAKPOPAFMK-OLZOCXBDSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H](CO)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665948 411616007 /nfs/dbraw/zinc/61/60/07/411616007.db2.gz ZZLZRAKPOPAFMK-OLZOCXBDSA-N 1 3 226.364 1.033 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]CC[C@@H]1CCOC1 ZINC000663502045 411685758 /nfs/dbraw/zinc/68/57/58/411685758.db2.gz DROIKOJJVVVKLS-VXGBXAGGSA-N 1 3 214.353 1.376 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]C[C@@H]1CCSC1 ZINC000663503020 411688261 /nfs/dbraw/zinc/68/82/61/411688261.db2.gz LXAFLYCXHWZZAI-WDEREUQCSA-N 1 3 216.394 1.703 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@@H](C)CC1CCOCC1 ZINC000663512097 411694660 /nfs/dbraw/zinc/69/46/60/411694660.db2.gz FHYDBRYJKDZTPR-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H](C)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000132161584 411808083 /nfs/dbraw/zinc/80/80/83/411808083.db2.gz RLWNKAQYLLBYLB-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H](C)[C@H]1O ZINC000661620991 411820073 /nfs/dbraw/zinc/82/00/73/411820073.db2.gz CADKCMKRECINNT-RFQIPJPRSA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@H](C)[C@H]1O ZINC000661620991 411820077 /nfs/dbraw/zinc/82/00/77/411820077.db2.gz CADKCMKRECINNT-RFQIPJPRSA-N 1 3 240.391 1.419 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139320 412001592 /nfs/dbraw/zinc/00/15/92/412001592.db2.gz ATYGBXMJHXKGHU-KGLIPLIRSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139320 412001594 /nfs/dbraw/zinc/00/15/94/412001594.db2.gz ATYGBXMJHXKGHU-KGLIPLIRSA-N 1 3 242.407 1.669 20 0 BDADHO CC[C@@H]1CN(C[C@H](OC)C2CCC2)CC[C@H]1[NH3+] ZINC000662270435 412059383 /nfs/dbraw/zinc/05/93/83/412059383.db2.gz KTWIITSETNQHAL-BNOWGMLFSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CN)C1 ZINC000662245248 412040856 /nfs/dbraw/zinc/04/08/56/412040856.db2.gz JMCNDVPBJUQHTA-UWVGGRQHSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](CN)C1 ZINC000662245248 412040858 /nfs/dbraw/zinc/04/08/58/412040858.db2.gz JMCNDVPBJUQHTA-UWVGGRQHSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@@H](CC(F)F)CN1CC[C@@H](C[NH3+])C1 ZINC000662245248 412040860 /nfs/dbraw/zinc/04/08/60/412040860.db2.gz JMCNDVPBJUQHTA-UWVGGRQHSA-N 1 3 220.307 1.948 20 0 BDADHO CCC[N@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662250125 412046056 /nfs/dbraw/zinc/04/60/56/412046056.db2.gz YOXXQTNAVMMBLR-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO CCC[N@@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662250125 412046060 /nfs/dbraw/zinc/04/60/60/412046060.db2.gz YOXXQTNAVMMBLR-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249658 412046100 /nfs/dbraw/zinc/04/61/00/412046100.db2.gz RQUZQZVPCSJBKC-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249658 412046105 /nfs/dbraw/zinc/04/61/05/412046105.db2.gz RQUZQZVPCSJBKC-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO CCCC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248874 412047463 /nfs/dbraw/zinc/04/74/63/412047463.db2.gz DLQLOGRVHRZHFO-LLVKDONJSA-N 1 3 212.337 1.239 20 0 BDADHO CCCC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248874 412047467 /nfs/dbraw/zinc/04/74/67/412047467.db2.gz DLQLOGRVHRZHFO-LLVKDONJSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@H]([N@H+](C)C[C@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253133 412050261 /nfs/dbraw/zinc/05/02/61/412050261.db2.gz WLSDUSCUYILEOF-NWDGAFQWSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H]([N@@H+](C)C[C@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253133 412050264 /nfs/dbraw/zinc/05/02/64/412050264.db2.gz WLSDUSCUYILEOF-NWDGAFQWSA-N 1 3 240.391 1.874 20 0 BDADHO CC1(C)CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662257600 412051466 /nfs/dbraw/zinc/05/14/66/412051466.db2.gz OPDOZLMINWOQPE-LLVKDONJSA-N 1 3 224.348 1.382 20 0 BDADHO CC1(C)CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662257600 412051468 /nfs/dbraw/zinc/05/14/68/412051468.db2.gz OPDOZLMINWOQPE-LLVKDONJSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000336719044 171083125 /nfs/dbraw/zinc/08/31/25/171083125.db2.gz RWGOOEUFLKGKFV-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000336719044 171083128 /nfs/dbraw/zinc/08/31/28/171083128.db2.gz RWGOOEUFLKGKFV-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CC1(C)CCC[C@H]1[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662280440 412071621 /nfs/dbraw/zinc/07/16/21/412071621.db2.gz DNAWVCROTLGIQO-VXGBXAGGSA-N 1 3 238.375 1.676 20 0 BDADHO CC[C@@H]1COCCN1CCC1CC[NH2+]CC1 ZINC000036326757 171106906 /nfs/dbraw/zinc/10/69/06/171106906.db2.gz UFSOZDICZMQRGN-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@@H](CN[C@@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277790 412068843 /nfs/dbraw/zinc/06/88/43/412068843.db2.gz RYFZZJPHNOOACB-RYUDHWBXSA-N 1 3 228.380 1.765 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CCNC[C@H]1C ZINC000124741918 171207077 /nfs/dbraw/zinc/20/70/77/171207077.db2.gz OIGUXPYOKPXHDW-SCVCMEIPSA-N 1 3 210.321 1.243 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000124741918 171207081 /nfs/dbraw/zinc/20/70/81/171207081.db2.gz OIGUXPYOKPXHDW-SCVCMEIPSA-N 1 3 210.321 1.243 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C ZINC000356761475 171232259 /nfs/dbraw/zinc/23/22/59/171232259.db2.gz FGFLIWMFDSXNIE-NWDGAFQWSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C ZINC000356761475 171232261 /nfs/dbraw/zinc/23/22/61/171232261.db2.gz FGFLIWMFDSXNIE-NWDGAFQWSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)N(CC)CC ZINC000346168580 171232970 /nfs/dbraw/zinc/23/29/70/171232970.db2.gz UARYRCQCCIBUIT-VXGBXAGGSA-N 1 3 243.395 1.173 20 0 BDADHO CC(C)(C)CCCNC1(CO)CC[NH2+]CC1 ZINC000662283748 412074821 /nfs/dbraw/zinc/07/48/21/412074821.db2.gz KFWWYCGLNWPXMI-UHFFFAOYSA-N 1 3 228.380 1.517 20 0 BDADHO [NH3+]CC12CC(C1)CN2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662305894 412090251 /nfs/dbraw/zinc/09/02/51/412090251.db2.gz NRHSZDORVYSCAM-VNAIHZQWSA-N 1 3 206.333 1.456 20 0 BDADHO C[C@@H](N[C@H]1CCN(C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235862 412175184 /nfs/dbraw/zinc/17/51/84/412175184.db2.gz BHNAJXZDMXYBRG-AGIUHOORSA-N 1 3 239.407 1.589 20 0 BDADHO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CCCCN1 ZINC000665244244 412184300 /nfs/dbraw/zinc/18/43/00/412184300.db2.gz JQPQULKEJMXKHL-GMTAPVOTSA-N 1 3 248.317 1.531 20 0 BDADHO C1C[C@H]([NH2+][C@H]2CCCC[C@@H]2[C@H]2CCOC2)CN1 ZINC000665241991 412185684 /nfs/dbraw/zinc/18/56/84/412185684.db2.gz HKCRTAXGVWBOMN-FQUUOJAGSA-N 1 3 238.375 1.533 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCO[C@H]1CC1(F)F ZINC000665244520 412189395 /nfs/dbraw/zinc/18/93/95/412189395.db2.gz POVZNIBHIMSRPI-GUBZILKMSA-N 1 3 234.290 1.128 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244520 412189398 /nfs/dbraw/zinc/18/93/98/412189398.db2.gz POVZNIBHIMSRPI-GUBZILKMSA-N 1 3 234.290 1.128 20 0 BDADHO CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)C1(F)F ZINC000665273724 412214920 /nfs/dbraw/zinc/21/49/20/412214920.db2.gz CIWHBNXUOWHSDZ-AEJSXWLSSA-N 1 3 232.318 1.995 20 0 BDADHO Cc1cncc(CCN[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000665273675 412215030 /nfs/dbraw/zinc/21/50/30/412215030.db2.gz BNLIITLHDFBOMH-AAEUAGOBSA-N 1 3 234.347 1.045 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2CCC[C@H]2CN)n1 ZINC000665273675 412215031 /nfs/dbraw/zinc/21/50/31/412215031.db2.gz BNLIITLHDFBOMH-AAEUAGOBSA-N 1 3 234.347 1.045 20 0 BDADHO C[C@H](NC[C@@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273690 412215035 /nfs/dbraw/zinc/21/50/35/412215035.db2.gz BQVFXCIEMHJLBE-IONNQARKSA-N 1 3 218.291 1.475 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CNC1 ZINC000665273690 412215037 /nfs/dbraw/zinc/21/50/37/412215037.db2.gz BQVFXCIEMHJLBE-IONNQARKSA-N 1 3 218.291 1.475 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261968 412204715 /nfs/dbraw/zinc/20/47/15/412204715.db2.gz PZULSBYTFYMFPR-AXFHLTTASA-N 1 3 232.343 1.467 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCC(C)(C)F ZINC000665261969 412204817 /nfs/dbraw/zinc/20/48/17/412204817.db2.gz PZULSBYTFYMFPR-DCAQKATOSA-N 1 3 232.343 1.467 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1(F)F ZINC000665265019 412209452 /nfs/dbraw/zinc/20/94/52/412209452.db2.gz NXWNQBABLFRHPJ-IVZWLZJFSA-N 1 3 218.291 1.749 20 0 BDADHO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662424491 412163454 /nfs/dbraw/zinc/16/34/54/412163454.db2.gz STTJLQWTPRIKTP-ZDUSSCGKSA-N 1 3 247.342 1.003 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000665230293 412167594 /nfs/dbraw/zinc/16/75/94/412167594.db2.gz MFSUJTXAASXYQW-BLYZHGLHSA-N 1 3 240.391 1.779 20 0 BDADHO Nc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000665232598 412170570 /nfs/dbraw/zinc/17/05/70/412170570.db2.gz PXPHDNYFWUBIBN-WCQYABFASA-N 1 3 219.332 1.486 20 0 BDADHO C[C@@H]1C[C@H](NCc2cccc(N)c2)CC[N@@H+]1C ZINC000665233863 412172426 /nfs/dbraw/zinc/17/24/26/412172426.db2.gz RKGYZYAHWBGLLO-BXUZGUMPSA-N 1 3 233.359 1.841 20 0 BDADHO C[C@@H]1C[C@H](NCc2cccc(N)c2)CC[N@H+]1C ZINC000665233863 412172430 /nfs/dbraw/zinc/17/24/30/412172430.db2.gz RKGYZYAHWBGLLO-BXUZGUMPSA-N 1 3 233.359 1.841 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279988 412224889 /nfs/dbraw/zinc/22/48/89/412224889.db2.gz QUGQVWIKVSTXKP-ZFQMDJOTSA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CC12CC(C1)CN2 ZINC000665280362 412225145 /nfs/dbraw/zinc/22/51/45/412225145.db2.gz ZQJVACXXDSDHSH-ROKHWSDSSA-N 1 3 248.374 1.249 20 0 BDADHO C[C@@H](NCC12CC(C1)C[NH2+]2)[C@H]1CC1(C)C ZINC000665279925 412225469 /nfs/dbraw/zinc/22/54/69/412225469.db2.gz PKVFFKIQCAIJKH-YLXHPXFOSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@H]1CC1(C)C ZINC000665279925 412225471 /nfs/dbraw/zinc/22/54/71/412225471.db2.gz PKVFFKIQCAIJKH-YLXHPXFOSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC(=O)NC1(C)C ZINC000665282116 412225881 /nfs/dbraw/zinc/22/58/81/412225881.db2.gz RDHABNBVOWSWQN-GHMZBOCLSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cc1cnccn1 ZINC000665281603 412226228 /nfs/dbraw/zinc/22/62/28/412226228.db2.gz HNSBYPMHZCZLQC-WCQYABFASA-N 1 3 236.363 1.371 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000662579491 412227225 /nfs/dbraw/zinc/22/72/25/412227225.db2.gz VSAOUGJTPIUCCU-GFCCVEGCSA-N 1 3 235.331 1.390 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000665282164 412227728 /nfs/dbraw/zinc/22/77/28/412227728.db2.gz SCABOLDPWVCIBK-IJLUTSLNSA-N 1 3 214.353 1.374 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665283852 412228588 /nfs/dbraw/zinc/22/85/88/412228588.db2.gz WEFPFRBSQAHSGC-WCQYABFASA-N 1 3 222.332 1.929 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H](C)c1nccn1C ZINC000665283916 412229286 /nfs/dbraw/zinc/22/92/86/412229286.db2.gz XCMAIUNVCYVRFV-GHMZBOCLSA-N 1 3 224.352 1.588 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000665298124 412246402 /nfs/dbraw/zinc/24/64/02/412246402.db2.gz SEXXYDTXBKJJCX-IGQOVBAYSA-N 1 3 240.391 1.779 20 0 BDADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000662954274 412353965 /nfs/dbraw/zinc/35/39/65/412353965.db2.gz UHJNHNDLHHMZOR-GMXVVIOVSA-N 1 3 249.358 1.047 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000368463265 173029380 /nfs/dbraw/zinc/02/93/80/173029380.db2.gz UAYBWNTVYIGULL-HZSPNIEDSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCO[C@@H]1C1CC1 ZINC000368463265 173029382 /nfs/dbraw/zinc/02/93/82/173029382.db2.gz UAYBWNTVYIGULL-HZSPNIEDSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCO[C@@H]1C1CC1 ZINC000368463265 173029384 /nfs/dbraw/zinc/02/93/84/173029384.db2.gz UAYBWNTVYIGULL-HZSPNIEDSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@]12CCOC2 ZINC000341977895 173049529 /nfs/dbraw/zinc/04/95/29/173049529.db2.gz WRFVLKWOLIHLJA-KBPBESRZSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@]12CCOC2 ZINC000341977895 173049531 /nfs/dbraw/zinc/04/95/31/173049531.db2.gz WRFVLKWOLIHLJA-KBPBESRZSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@@H+]1CC[C@H](NCCN2CCC2)[C@@H]2CCC[C@@H]21 ZINC000353640280 173152341 /nfs/dbraw/zinc/15/23/41/173152341.db2.gz BYDQQCAFTLHADS-IHRRRGAJSA-N 1 3 237.391 1.155 20 0 BDADHO C[N@H+]1CC[C@H](NCCN2CCC2)[C@@H]2CCC[C@@H]21 ZINC000353640280 173152342 /nfs/dbraw/zinc/15/23/42/173152342.db2.gz BYDQQCAFTLHADS-IHRRRGAJSA-N 1 3 237.391 1.155 20 0 BDADHO Cn1cncc1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000377796825 173155223 /nfs/dbraw/zinc/15/52/23/173155223.db2.gz VHXVJUVSOPUCBN-RDBSUJKOSA-N 1 3 248.374 1.383 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCCCCF)C[C@H]2C1 ZINC000375335247 173197096 /nfs/dbraw/zinc/19/70/96/173197096.db2.gz DVZPQQNOAQLKKJ-TXEJJXNPSA-N 1 3 214.328 1.620 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCCCCF)C[C@H]2C1 ZINC000375335247 173197099 /nfs/dbraw/zinc/19/70/99/173197099.db2.gz DVZPQQNOAQLKKJ-TXEJJXNPSA-N 1 3 214.328 1.620 20 0 BDADHO CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000052019469 173209346 /nfs/dbraw/zinc/20/93/46/173209346.db2.gz TUUDSNWKZVCHCL-UHFFFAOYSA-N 1 3 246.358 1.395 20 0 BDADHO C[NH2+]CCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000043605821 173340869 /nfs/dbraw/zinc/34/08/69/173340869.db2.gz HVCROAWSZQBLAR-ZDUSSCGKSA-N 1 3 249.358 1.015 20 0 BDADHO C[NH2+]CCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000262321735 173341330 /nfs/dbraw/zinc/34/13/30/173341330.db2.gz FHZJMVKVQGFETJ-UHFFFAOYSA-N 1 3 249.358 1.605 20 0 BDADHO C[NH2+]CCCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000037611408 173345554 /nfs/dbraw/zinc/34/55/54/173345554.db2.gz IVROQHIOCRCHLW-UHFFFAOYSA-N 1 3 249.358 1.686 20 0 BDADHO C[NH2+]CCCN(C[C@H]1CCOC1)C1CC1 ZINC000336655717 173347516 /nfs/dbraw/zinc/34/75/16/173347516.db2.gz ABWDZWDVNWRUNF-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000336655717 173347517 /nfs/dbraw/zinc/34/75/17/173347517.db2.gz ABWDZWDVNWRUNF-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000336655717 173347518 /nfs/dbraw/zinc/34/75/18/173347518.db2.gz ABWDZWDVNWRUNF-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]CCN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000237336602 173352998 /nfs/dbraw/zinc/35/29/98/173352998.db2.gz ZUGCUMZBOVETFE-UHFFFAOYSA-N 1 3 249.358 1.040 20 0 BDADHO C[NH2+]CCNc1ccnc2ccccc21 ZINC000054244728 173356888 /nfs/dbraw/zinc/35/68/88/173356888.db2.gz ZPELGCKCYASDGP-UHFFFAOYSA-N 1 3 201.273 1.866 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000295145217 173388872 /nfs/dbraw/zinc/38/88/72/173388872.db2.gz CAWWQCLFMVIUPK-UHFFFAOYSA-N 1 3 247.342 1.344 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](C)NC2CC2)cc1 ZINC000295238020 173388922 /nfs/dbraw/zinc/38/89/22/173388922.db2.gz OTAUSQMFSWVEHV-SNVBAGLBSA-N 1 3 247.342 1.485 20 0 BDADHO COC1CC([NH2+][C@H]2CCC[C@H](N(C)C)C2)C1 ZINC000336763120 174019510 /nfs/dbraw/zinc/01/95/10/174019510.db2.gz LYZODQQINQNOAQ-QCXCNERSSA-N 1 3 226.364 1.626 20 0 BDADHO COC1CC(N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000336763120 174019513 /nfs/dbraw/zinc/01/95/13/174019513.db2.gz LYZODQQINQNOAQ-QCXCNERSSA-N 1 3 226.364 1.626 20 0 BDADHO COC1CCC([N@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000226438408 174021832 /nfs/dbraw/zinc/02/18/32/174021832.db2.gz IHHUTFQFFXOWLU-IYXRBSQSSA-N 1 3 240.391 1.875 20 0 BDADHO COC1CCC([N@@H+](C)C[C@@H]2CCCNC2)CC1 ZINC000226438408 174021833 /nfs/dbraw/zinc/02/18/33/174021833.db2.gz IHHUTFQFFXOWLU-IYXRBSQSSA-N 1 3 240.391 1.875 20 0 BDADHO COC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000361259417 174028635 /nfs/dbraw/zinc/02/86/35/174028635.db2.gz ARYOUZITPRBHKJ-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO COCC1(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000356363526 174111623 /nfs/dbraw/zinc/11/16/23/174111623.db2.gz QXVNFGQFXADHDQ-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO COCC1(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000356363526 174111625 /nfs/dbraw/zinc/11/16/25/174111625.db2.gz QXVNFGQFXADHDQ-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO COCC1([NH2+][C@H]2CCN3CCC[C@H]3C2)CCC1 ZINC000356363526 174111627 /nfs/dbraw/zinc/11/16/27/174111627.db2.gz QXVNFGQFXADHDQ-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO COCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000069631732 174120357 /nfs/dbraw/zinc/12/03/57/174120357.db2.gz DRLNSTGBPWOODT-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO COCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000069631732 174120359 /nfs/dbraw/zinc/12/03/59/174120359.db2.gz DRLNSTGBPWOODT-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO COCCCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000044659202 174195194 /nfs/dbraw/zinc/19/51/94/174195194.db2.gz VICKWRAWTYSDCB-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO COc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107933283 175102927 /nfs/dbraw/zinc/10/29/27/175102927.db2.gz WYPLPSQCHCNULW-YPMHNXCESA-N 1 3 234.343 1.864 20 0 BDADHO COc1ccc(OC)c(CNCCCC[NH3+])c1 ZINC000037715041 175165843 /nfs/dbraw/zinc/16/58/43/175165843.db2.gz NLVYBKLKKRFTNE-UHFFFAOYSA-N 1 3 238.331 1.532 20 0 BDADHO COc1cccc(C[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000291703341 175264607 /nfs/dbraw/zinc/26/46/07/175264607.db2.gz KLKSGAZPSPQORC-GFCCVEGCSA-N 1 3 236.359 1.983 20 0 BDADHO COc1cccc(CNCCCC[NH3+])c1OC ZINC000037715037 175264770 /nfs/dbraw/zinc/26/47/70/175264770.db2.gz GMCHHRCPWUYABN-UHFFFAOYSA-N 1 3 238.331 1.532 20 0 BDADHO COc1cccc([C@@H](C)NC[C@H](C)C[NH3+])c1 ZINC000309396976 175287047 /nfs/dbraw/zinc/28/70/47/175287047.db2.gz UQCKTLZEAJDSHV-GHMZBOCLSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)[C@H]1CO ZINC000305705900 176098357 /nfs/dbraw/zinc/09/83/57/176098357.db2.gz YEKXBHLNCLOALY-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)[C@H]1CO ZINC000305705900 176098358 /nfs/dbraw/zinc/09/83/58/176098358.db2.gz YEKXBHLNCLOALY-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358412117 176274398 /nfs/dbraw/zinc/27/43/98/176274398.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358412117 176274399 /nfs/dbraw/zinc/27/43/99/176274399.db2.gz XZKSRGJISUASFM-MQYQWHSLSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCn1cccn1 ZINC000042539470 176278408 /nfs/dbraw/zinc/27/84/08/176278408.db2.gz VCHCBWVGOFMDHZ-JHJVBQTASA-N 1 3 236.363 1.201 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCn1cccn1 ZINC000042539470 176278409 /nfs/dbraw/zinc/27/84/09/176278409.db2.gz VCHCBWVGOFMDHZ-JHJVBQTASA-N 1 3 236.363 1.201 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045694725 176288656 /nfs/dbraw/zinc/28/86/56/176288656.db2.gz MTMDEOQROOTEKO-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCOCCN(C)C ZINC000300425423 177118557 /nfs/dbraw/zinc/11/85/57/177118557.db2.gz YHWIVBMEJJKZJO-WDNDVIMCSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000359724972 177234696 /nfs/dbraw/zinc/23/46/96/177234696.db2.gz YAPSHFDAYZPXIJ-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000073655445 177284651 /nfs/dbraw/zinc/28/46/51/177284651.db2.gz CLPZCFXGDJOALG-AAEUAGOBSA-N 1 3 204.317 1.774 20 0 BDADHO C[C@H]1COCC[N@H+](CCCN2CCCCC2)C1 ZINC000375254303 177287884 /nfs/dbraw/zinc/28/78/84/177287884.db2.gz YJRXNSGYWKBHEP-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO C[C@H]1COCC[N@@H+](CCCN2CCCCC2)C1 ZINC000375254303 177287885 /nfs/dbraw/zinc/28/78/85/177287885.db2.gz YJRXNSGYWKBHEP-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000235369521 177302050 /nfs/dbraw/zinc/30/20/50/177302050.db2.gz VZHXFYDLZVSCJQ-YVECIDJPSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]1C[C@@H](NCCCC[NH3+])c2nccn21 ZINC000345362101 177330698 /nfs/dbraw/zinc/33/06/98/177330698.db2.gz VDPHDCLJVOLIDB-VHSXEESVSA-N 1 3 208.309 1.217 20 0 BDADHO C[C@H]1C[C@@H](NC2CCC([NH3+])CC2)c2nccn21 ZINC000329257053 177330741 /nfs/dbraw/zinc/33/07/41/177330741.db2.gz DUPKSXVPPMPCLD-WNYYMSAVSA-N 1 3 234.347 1.748 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCn1cccn1 ZINC000042539467 177370684 /nfs/dbraw/zinc/37/06/84/177370684.db2.gz VCHCBWVGOFMDHZ-AGIUHOORSA-N 1 3 236.363 1.201 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCn1cccn1 ZINC000042539467 177370685 /nfs/dbraw/zinc/37/06/85/177370685.db2.gz VCHCBWVGOFMDHZ-AGIUHOORSA-N 1 3 236.363 1.201 20 0 BDADHO C[C@H](NCCC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000402005456 226363888 /nfs/dbraw/zinc/36/38/88/226363888.db2.gz QJWCYJUMVYYGKB-IHRRRGAJSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCc1cncn1C ZINC000314401033 487665324 /nfs/dbraw/zinc/66/53/24/487665324.db2.gz TWNBSKUCMBUXCO-NEPJUHHUSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCc1cncn1C ZINC000314401033 487665330 /nfs/dbraw/zinc/66/53/30/487665330.db2.gz TWNBSKUCMBUXCO-NEPJUHHUSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCc1cncn1C ZINC000314401033 487665334 /nfs/dbraw/zinc/66/53/34/487665334.db2.gz TWNBSKUCMBUXCO-NEPJUHHUSA-N 1 3 236.363 1.022 20 0 BDADHO CC(C)N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000036189990 487684107 /nfs/dbraw/zinc/68/41/07/487684107.db2.gz AANZJZNWPHMHRY-UHFFFAOYSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CC12CC2 ZINC000527863788 262886044 /nfs/dbraw/zinc/88/60/44/262886044.db2.gz JCQHCWHZGUTTPC-VXGBXAGGSA-N 1 3 238.375 1.221 20 0 BDADHO COCC[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251269222 487752186 /nfs/dbraw/zinc/75/21/86/487752186.db2.gz XFOAUPHLXATCJG-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H]1C[N@H+](CC2CCOCC2)CC[C@H]1N ZINC000251577347 487771229 /nfs/dbraw/zinc/77/12/29/487771229.db2.gz CDUMVBXKIJGCDL-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1N ZINC000251577347 487771236 /nfs/dbraw/zinc/77/12/36/487771236.db2.gz CDUMVBXKIJGCDL-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000234263832 487788294 /nfs/dbraw/zinc/78/82/94/487788294.db2.gz CYSFVLAYDCXEPQ-GFCCVEGCSA-N 1 3 244.379 1.112 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797751 /nfs/dbraw/zinc/79/77/51/487797751.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797755 /nfs/dbraw/zinc/79/77/55/487797755.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797761 /nfs/dbraw/zinc/79/77/61/487797761.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN([C@H]3CCCOC3)CC[C@@H]21 ZINC000675983302 487797764 /nfs/dbraw/zinc/79/77/64/487797764.db2.gz PBERLFULPMERJY-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)CC[C@H]1N ZINC000251879940 487804989 /nfs/dbraw/zinc/80/49/89/487804989.db2.gz VDFJSUUYPJRFCB-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC[C@H]1N ZINC000251879940 487804994 /nfs/dbraw/zinc/80/49/94/487804994.db2.gz VDFJSUUYPJRFCB-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000251879940 487804998 /nfs/dbraw/zinc/80/49/98/487804998.db2.gz VDFJSUUYPJRFCB-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@H](C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224011155 487814768 /nfs/dbraw/zinc/81/47/68/487814768.db2.gz IAHRMIUQCXLUEJ-UPJWGTAASA-N 1 3 228.380 1.922 20 0 BDADHO [NH3+]CCCN1CC[C@@H](COc2ccccc2)C1 ZINC000414711132 487819526 /nfs/dbraw/zinc/81/95/26/487819526.db2.gz MAPFHOGOAIQGNC-CYBMUJFWSA-N 1 3 234.343 1.736 20 0 BDADHO CC(C)(C)[C@H]1CCN(CCC[NH3+])C[C@@H]1O ZINC000414755682 487821311 /nfs/dbraw/zinc/82/13/11/487821311.db2.gz ICYJUMAPIBTHMK-QWRGUYRKSA-N 1 3 214.353 1.064 20 0 BDADHO Cc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000415012666 487833987 /nfs/dbraw/zinc/83/39/87/487833987.db2.gz TYKYWEKFAPSZPR-LSDHHAIUSA-N 1 3 245.370 1.868 20 0 BDADHO C[C@H](C[NH2+]CCCN)Cc1cccs1 ZINC000415087459 487836387 /nfs/dbraw/zinc/83/63/87/487836387.db2.gz UQGTZKWBXCNRAG-JTQLQIEISA-N 1 3 212.362 1.865 20 0 BDADHO COCCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000234630967 487845509 /nfs/dbraw/zinc/84/55/09/487845509.db2.gz JFWGBVVRZHNWDU-RYUDHWBXSA-N 1 3 214.353 1.663 20 0 BDADHO c1ccc2c(c1)CN(CC[C@@H]1CC[NH2+]C1)CCO2 ZINC000089749479 487852480 /nfs/dbraw/zinc/85/24/80/487852480.db2.gz VRZGBQKIEKFLJZ-ZDUSSCGKSA-N 1 3 246.354 1.881 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000234691781 487856049 /nfs/dbraw/zinc/85/60/49/487856049.db2.gz DQKWXTDPTDQLAK-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+][C@@H](CNC[C@H]1CCOc2ccccc21)C1CC1 ZINC000666834211 487870754 /nfs/dbraw/zinc/87/07/54/487870754.db2.gz CBKJBQOCVAKMFF-OCCSQVGLSA-N 1 3 246.354 1.880 20 0 BDADHO CCCC[C@H](CN)[NH2+]Cc1cnc2ccccn12 ZINC000666758747 487874217 /nfs/dbraw/zinc/87/42/17/487874217.db2.gz SXCNGQZEGXZJDS-GFCCVEGCSA-N 1 3 246.358 1.941 20 0 BDADHO C[C@@H](CC1CCOCC1)NC[C@H]1CCCC[NH2+]1 ZINC000666769844 487875485 /nfs/dbraw/zinc/87/54/85/487875485.db2.gz FZNVVLUHNQAEPH-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO CCc1nn(C)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666954034 487916096 /nfs/dbraw/zinc/91/60/96/487916096.db2.gz OJATZJCLHLSWAB-CYBMUJFWSA-N 1 3 248.374 1.214 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCC12CCOCC2)CN(C)C ZINC000562342277 323017171 /nfs/dbraw/zinc/01/71/71/323017171.db2.gz PJONDIUBSGNWCP-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO CCC(C)(C)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000562564982 323024714 /nfs/dbraw/zinc/02/47/14/323024714.db2.gz CWENJGGDRZJINT-LBPRGKRZSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000562603554 323025423 /nfs/dbraw/zinc/02/54/23/323025423.db2.gz PZSCEOBCHHVPFS-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO COC(=O)CCC1CCN(CCC[NH3+])CC1 ZINC000562746581 323029569 /nfs/dbraw/zinc/02/95/69/323029569.db2.gz KAAMIJPLUVMVNF-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO COC(=O)CCC1CC[NH+](CCCN)CC1 ZINC000562746581 323029570 /nfs/dbraw/zinc/02/95/70/323029570.db2.gz KAAMIJPLUVMVNF-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cn1 ZINC000562959599 323035319 /nfs/dbraw/zinc/03/53/19/323035319.db2.gz KWEKIQPRCLMGDW-OLZOCXBDSA-N 1 3 219.332 1.402 20 0 BDADHO C[C@H]1CCCCN1CCNC(=O)CCCC[NH3+] ZINC000569690367 323037122 /nfs/dbraw/zinc/03/71/22/323037122.db2.gz RSOAOHRRMFCSGH-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708979 323038050 /nfs/dbraw/zinc/03/80/50/323038050.db2.gz WZJKCDCLEVFDKS-RYUDHWBXSA-N 1 3 244.354 1.612 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(O)Cc2ccccc2C1 ZINC000569957566 323045725 /nfs/dbraw/zinc/04/57/25/323045725.db2.gz KENNNDYZXWUTMO-VXGBXAGGSA-N 1 3 248.370 1.232 20 0 BDADHO CC[C@@H](N)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000570428351 323059229 /nfs/dbraw/zinc/05/92/29/323059229.db2.gz VWYJQEQYXHCUOQ-CYBMUJFWSA-N 1 3 249.358 1.101 20 0 BDADHO Cc1noc(CCCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000570528783 323062477 /nfs/dbraw/zinc/06/24/77/323062477.db2.gz DLYMWFVVKFKEBR-WDEREUQCSA-N 1 3 238.335 1.170 20 0 BDADHO Cc1noc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)n1 ZINC000570528783 323062478 /nfs/dbraw/zinc/06/24/78/323062478.db2.gz DLYMWFVVKFKEBR-WDEREUQCSA-N 1 3 238.335 1.170 20 0 BDADHO CC(C)(O)CNC1CC[NH+](CC2CC2)CC1 ZINC000160596556 323073371 /nfs/dbraw/zinc/07/33/71/323073371.db2.gz GALHXKXWFKMUCM-UHFFFAOYSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)C(F)F ZINC000570942077 323076150 /nfs/dbraw/zinc/07/61/50/323076150.db2.gz NZWVCUSIAPWRCW-QCLAVDOMSA-N 1 3 236.306 1.251 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069014 323084500 /nfs/dbraw/zinc/08/45/00/323084500.db2.gz BVPULASDQNMABF-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069014 323084501 /nfs/dbraw/zinc/08/45/01/323084501.db2.gz BVPULASDQNMABF-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000531727698 323111577 /nfs/dbraw/zinc/11/15/77/323111577.db2.gz GQAISRONKMGPFK-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO CC[C@H](CCO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395140097 323188690 /nfs/dbraw/zinc/18/86/90/323188690.db2.gz GSXBLUAZKJHEMO-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCC12CC(C1)CO2 ZINC000530220298 323217830 /nfs/dbraw/zinc/21/78/30/323217830.db2.gz MUUGOQUBTGYSDG-CMOBGSAGSA-N 1 3 224.348 1.415 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000130157918 325018581 /nfs/dbraw/zinc/01/85/81/325018581.db2.gz MTROGMRTUGCPBV-SRVKXCTJSA-N 1 3 213.369 1.009 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000130157496 325018791 /nfs/dbraw/zinc/01/87/91/325018791.db2.gz MTROGMRTUGCPBV-SDDRHHMPSA-N 1 3 213.369 1.009 20 0 BDADHO CCOCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130256413 325030859 /nfs/dbraw/zinc/03/08/59/325030859.db2.gz DDNDQPWXNGZRSK-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO CCOCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130256413 325030861 /nfs/dbraw/zinc/03/08/61/325030861.db2.gz DDNDQPWXNGZRSK-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C=C[C@H](CO)C2)[C@H](C)C1 ZINC000134645600 325369794 /nfs/dbraw/zinc/36/97/94/325369794.db2.gz SUIYHDNQDAJEAX-RQJABVFESA-N 1 3 238.375 1.243 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C=C[C@H](CO)C2)[C@H](C)C1 ZINC000134645600 325369796 /nfs/dbraw/zinc/36/97/96/325369796.db2.gz SUIYHDNQDAJEAX-RQJABVFESA-N 1 3 238.375 1.243 20 0 BDADHO CC[C@H](C)C[NH+](CCN(C)C)CCN(C)C ZINC000554875871 325739050 /nfs/dbraw/zinc/73/90/50/325739050.db2.gz VPLOFSUSDYDLBR-ZDUSSCGKSA-N 1 3 229.412 1.458 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000565775677 325956075 /nfs/dbraw/zinc/95/60/75/325956075.db2.gz NLOPNELJRSGHIW-QWQWKMKNSA-N 1 3 244.354 1.609 20 0 BDADHO COC(=O)CC1([NH2+]C[C@H](N)CC(C)C)CC1 ZINC000566316976 326032631 /nfs/dbraw/zinc/03/26/31/326032631.db2.gz AOOPJXDXKKTIGD-SNVBAGLBSA-N 1 3 228.336 1.045 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688455 326074561 /nfs/dbraw/zinc/07/45/61/326074561.db2.gz ABFXRLVHTFSXAL-MVWJERBFSA-N 1 3 235.331 1.708 20 0 BDADHO CC[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154405117 326143094 /nfs/dbraw/zinc/14/30/94/326143094.db2.gz NZSZYZHBTFLSTG-CYBMUJFWSA-N 1 3 227.396 1.402 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547693 326150017 /nfs/dbraw/zinc/15/00/17/326150017.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547693 326150018 /nfs/dbraw/zinc/15/00/18/326150018.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547693 326150020 /nfs/dbraw/zinc/15/00/20/326150020.db2.gz JOZOLLDQHBAEDZ-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)nnn2C ZINC000567871003 326274061 /nfs/dbraw/zinc/27/40/61/326274061.db2.gz FIBOMCBJKVPORA-VHSXEESVSA-N 1 3 247.346 1.184 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)nnn2C ZINC000567871004 326274159 /nfs/dbraw/zinc/27/41/59/326274159.db2.gz FIBOMCBJKVPORA-ZJUUUORDSA-N 1 3 247.346 1.184 20 0 BDADHO CC[C@H](C)C[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000568175094 326320091 /nfs/dbraw/zinc/32/00/91/326320091.db2.gz RHWKLOFPXBOTSQ-ZDUSSCGKSA-N 1 3 242.407 1.857 20 0 BDADHO [NH3+]CCOCCN1CCC[C@H]1c1cccnc1 ZINC000569104363 326390132 /nfs/dbraw/zinc/39/01/32/326390132.db2.gz GVOQFDNJUBYAEB-ZDUSSCGKSA-N 1 3 235.331 1.194 20 0 BDADHO Cc1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000569228143 326396144 /nfs/dbraw/zinc/39/61/44/326396144.db2.gz IGGLIGICCVQAIJ-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)cn1 ZINC000569228143 326396146 /nfs/dbraw/zinc/39/61/46/326396146.db2.gz IGGLIGICCVQAIJ-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO CC1(F)CC(N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000572855789 326415280 /nfs/dbraw/zinc/41/52/80/326415280.db2.gz MIJUYPQHFHOVFS-NKVNRFPTSA-N 1 3 200.301 1.737 20 0 BDADHO C[NH2+]CCCC(=O)Nc1ccc2c(c1)CNC2 ZINC000573247039 326437666 /nfs/dbraw/zinc/43/76/66/326437666.db2.gz UEWGGGAZTBRUKT-UHFFFAOYSA-N 1 3 233.315 1.228 20 0 BDADHO CCC[C@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000229954904 488010247 /nfs/dbraw/zinc/01/02/47/488010247.db2.gz SERSEIJLUBHFBZ-NSHDSACASA-N 1 3 237.351 1.174 20 0 BDADHO CO[C@H](C)CN(C[C@H]1CC[NH2+]C1)C(C)C ZINC000390818950 488045438 /nfs/dbraw/zinc/04/54/38/488045438.db2.gz RZJKQILOYBMZDU-NEPJUHHUSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H]1CCN[C@@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508369 488108875 /nfs/dbraw/zinc/10/88/75/488108875.db2.gz OVRVEYPHFBOUOE-GXFFZTMASA-N 1 3 247.342 1.472 20 0 BDADHO [NH3+]Cc1cccc(NC(=O)CNCC2CC2)c1 ZINC000669508316 488109024 /nfs/dbraw/zinc/10/90/24/488109024.db2.gz FEJKFMYMTZDMBL-UHFFFAOYSA-N 1 3 233.315 1.083 20 0 BDADHO C[C@H](C[NH3+])NC[C@@H]1CCOc2ccccc21 ZINC000161986310 487531462 /nfs/dbraw/zinc/53/14/62/487531462.db2.gz WAMCJGGJYMBILW-MNOVXSKESA-N 1 3 220.316 1.490 20 0 BDADHO Cc1nocc1CN1CCC(C[NH3+])CC1 ZINC000662236254 487471035 /nfs/dbraw/zinc/47/10/35/487471035.db2.gz WOBUYILUQSHSAB-UHFFFAOYSA-N 1 3 209.293 1.154 20 0 BDADHO COC[C@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500525 487514730 /nfs/dbraw/zinc/51/47/30/487514730.db2.gz HHTNNGLKCPWQDP-RWMBFGLXSA-N 1 3 228.380 1.922 20 0 BDADHO CO[C@H](CN1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000662273552 490045125 /nfs/dbraw/zinc/04/51/25/490045125.db2.gz OELRZWOYUVFJQP-MGPQQGTHSA-N 1 3 238.375 1.485 20 0 BDADHO COCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418985 487824203 /nfs/dbraw/zinc/82/42/03/487824203.db2.gz XPNLBAOBDMKBDB-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1nc2c(s1)CCC2 ZINC000666941488 487908621 /nfs/dbraw/zinc/90/86/21/487908621.db2.gz JMMOWVQRORZIME-VIFPVBQESA-N 1 3 239.388 1.849 20 0 BDADHO CN(Cc1ccccc1)CC(C)(C)NCCC[NH3+] ZINC000379657584 488145957 /nfs/dbraw/zinc/14/59/57/488145957.db2.gz TWACWTUNXGYZFR-UHFFFAOYSA-N 1 3 249.402 1.835 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667924285 488159424 /nfs/dbraw/zinc/15/94/24/488159424.db2.gz LAFYIWPMNOMJKP-KGLIPLIRSA-N 1 3 236.359 1.405 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667924284 488159492 /nfs/dbraw/zinc/15/94/92/488159492.db2.gz LAFYIWPMNOMJKP-KBPBESRZSA-N 1 3 236.359 1.405 20 0 BDADHO CC[N@H+](CCO)Cc1ccc(CN(C)C)cc1 ZINC000678121145 488200279 /nfs/dbraw/zinc/20/02/79/488200279.db2.gz RWYSWYRLSSZPHR-UHFFFAOYSA-N 1 3 236.359 1.562 20 0 BDADHO CC[N@@H+](CCO)Cc1ccc(CN(C)C)cc1 ZINC000678121145 488200284 /nfs/dbraw/zinc/20/02/84/488200284.db2.gz RWYSWYRLSSZPHR-UHFFFAOYSA-N 1 3 236.359 1.562 20 0 BDADHO CCN(CCO)Cc1ccc(C[NH+](C)C)cc1 ZINC000678121145 488200287 /nfs/dbraw/zinc/20/02/87/488200287.db2.gz RWYSWYRLSSZPHR-UHFFFAOYSA-N 1 3 236.359 1.562 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013447 490197652 /nfs/dbraw/zinc/19/76/52/490197652.db2.gz UMBLDQGRHRINAJ-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCOC2)C1 ZINC000070013447 490197656 /nfs/dbraw/zinc/19/76/56/490197656.db2.gz UMBLDQGRHRINAJ-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCOC2)C1 ZINC000070013447 490197660 /nfs/dbraw/zinc/19/76/60/490197660.db2.gz UMBLDQGRHRINAJ-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[NH+](C)CCCNC[C@H]1C[C@@]1(C)Br ZINC000892430052 582884912 /nfs/dbraw/zinc/88/49/12/582884912.db2.gz ZLTHHACEEACXFZ-NXEZZACHSA-N 1 3 249.196 1.701 20 0 BDADHO CC(=O)CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062032903 526424620 /nfs/dbraw/zinc/42/46/20/526424620.db2.gz BEKCNXQVGIGHDC-UHFFFAOYSA-N 1 3 238.375 1.773 20 0 BDADHO CCN(CC)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400499373 528137735 /nfs/dbraw/zinc/13/77/35/528137735.db2.gz ICQJSXWDJHIHQM-VXGBXAGGSA-N 1 3 213.369 1.058 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336054875 535231472 /nfs/dbraw/zinc/23/14/72/535231472.db2.gz PCCNXHNVAAFOSY-ZIAGYGMSSA-N 1 3 239.407 1.258 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084221037 535691976 /nfs/dbraw/zinc/69/19/76/535691976.db2.gz WRWXRZGVAVHTIC-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO CCOC[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221037 535691981 /nfs/dbraw/zinc/69/19/81/535691981.db2.gz WRWXRZGVAVHTIC-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO COc1ccccc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000230287015 537039862 /nfs/dbraw/zinc/03/98/62/537039862.db2.gz HLVFAVJYALXGHD-KGLIPLIRSA-N 1 3 248.370 1.955 20 0 BDADHO COc1ccccc1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000230287015 537039864 /nfs/dbraw/zinc/03/98/64/537039864.db2.gz HLVFAVJYALXGHD-KGLIPLIRSA-N 1 3 248.370 1.955 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC1SCCS1 ZINC000853022928 588716653 /nfs/dbraw/zinc/71/66/53/588716653.db2.gz HVRWQTITVIBUST-VHSXEESVSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC1SCCS1 ZINC000853022928 588716654 /nfs/dbraw/zinc/71/66/54/588716654.db2.gz HVRWQTITVIBUST-VHSXEESVSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@H](CCO)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853239287 588728161 /nfs/dbraw/zinc/72/81/61/588728161.db2.gz DKIUPTFSVDHRDD-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@]12OCCC[C@H]1C2(F)F ZINC000854229759 588781036 /nfs/dbraw/zinc/78/10/36/588781036.db2.gz WQYDKKGVJBBWLG-YTWAJWBKSA-N 1 3 248.317 1.516 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@]12OCCC[C@H]1C2(F)F ZINC000854229760 588780822 /nfs/dbraw/zinc/78/08/22/588780822.db2.gz WQYDKKGVJBBWLG-ZDCRXTMVSA-N 1 3 248.317 1.516 20 0 BDADHO C[C@H](CNC(=[NH2+])NC(C)(C)C)N1CCCC1 ZINC000112800795 588817213 /nfs/dbraw/zinc/81/72/13/588817213.db2.gz DFMFSAQJZNWOBB-SNVBAGLBSA-N 1 3 226.368 1.383 20 0 BDADHO C[C@H]1CCC[N@H+](CCNc2ccncc2CO)C1 ZINC000891838236 582728161 /nfs/dbraw/zinc/72/81/61/582728161.db2.gz PXJYFNJFKPRDOC-LBPRGKRZSA-N 1 3 249.358 1.140 20 0 BDADHO C[C@H]1CCC[N@@H+](CCNc2ccncc2CO)C1 ZINC000891838236 582728163 /nfs/dbraw/zinc/72/81/63/582728163.db2.gz PXJYFNJFKPRDOC-LBPRGKRZSA-N 1 3 249.358 1.140 20 0 BDADHO CC1CC[NH+](CCNc2ccncc2CO)CC1 ZINC000891830705 582728186 /nfs/dbraw/zinc/72/81/86/582728186.db2.gz VNVWFPXGGOCBKB-UHFFFAOYSA-N 1 3 249.358 1.140 20 0 BDADHO COC1CCC(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892251543 582813542 /nfs/dbraw/zinc/81/35/42/582813542.db2.gz IWSKPYVHCCKZMU-AKJUYKBHSA-N 1 3 238.375 1.343 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000848986599 582818294 /nfs/dbraw/zinc/81/82/94/582818294.db2.gz KUUHBHXVFSIBQX-GHMZBOCLSA-N 1 3 226.368 1.383 20 0 BDADHO CN(C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000892429157 582885122 /nfs/dbraw/zinc/88/51/22/582885122.db2.gz GFOLZYMAIOUHTE-UHFFFAOYSA-N 1 3 238.360 1.437 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000726844446 583378662 /nfs/dbraw/zinc/37/86/62/583378662.db2.gz PXRJMFMZVWLUNT-TXEJJXNPSA-N 1 3 226.364 1.437 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(c3ccncc3CO)CC[C@H]21 ZINC000895022067 583569763 /nfs/dbraw/zinc/56/97/63/583569763.db2.gz JYDGGGJQCVRBSZ-WCQYABFASA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@H]2CN(c3ccncc3CO)CC[C@H]21 ZINC000895022067 583569766 /nfs/dbraw/zinc/56/97/66/583569766.db2.gz JYDGGGJQCVRBSZ-WCQYABFASA-N 1 3 247.342 1.104 20 0 BDADHO CO[C@@](C)(CNCC[C@@H](C)[NH+](C)C)C1CC1 ZINC000895294376 583638391 /nfs/dbraw/zinc/63/83/91/583638391.db2.gz VIUFPBICDPYMDD-YPMHNXCESA-N 1 3 228.380 1.731 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+]CC[C@H](C)N(C)C ZINC000895294399 583638396 /nfs/dbraw/zinc/63/83/96/583638396.db2.gz PXSHWEIMJDTEFV-NSHDSACASA-N 1 3 244.379 1.506 20 0 BDADHO COC(=O)C(C)(C)CCNCC[C@H](C)[NH+](C)C ZINC000895294399 583638397 /nfs/dbraw/zinc/63/83/97/583638397.db2.gz PXSHWEIMJDTEFV-NSHDSACASA-N 1 3 244.379 1.506 20 0 BDADHO CC(C)SCC[NH2+]C1CCNCC1 ZINC000214400731 583731131 /nfs/dbraw/zinc/73/11/31/583731131.db2.gz VIJWXJUAAGVCCO-UHFFFAOYSA-N 1 3 202.367 1.470 20 0 BDADHO CC(C)SCCNC1CC[NH2+]CC1 ZINC000214400731 583731133 /nfs/dbraw/zinc/73/11/33/583731133.db2.gz VIJWXJUAAGVCCO-UHFFFAOYSA-N 1 3 202.367 1.470 20 0 BDADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000858127594 588934676 /nfs/dbraw/zinc/93/46/76/588934676.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127594 588934678 /nfs/dbraw/zinc/93/46/78/588934678.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127594 588934679 /nfs/dbraw/zinc/93/46/79/588934679.db2.gz JRVKPMQUPFJKBG-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872143021 583948224 /nfs/dbraw/zinc/94/82/24/583948224.db2.gz JFEUYXISWXPGAS-QWHCGFSZSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@]1(CN)CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872143021 583948225 /nfs/dbraw/zinc/94/82/25/583948225.db2.gz JFEUYXISWXPGAS-QWHCGFSZSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@]1(CN)CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872143021 583948227 /nfs/dbraw/zinc/94/82/27/583948227.db2.gz JFEUYXISWXPGAS-QWHCGFSZSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143020 583948234 /nfs/dbraw/zinc/94/82/34/583948234.db2.gz JFEUYXISWXPGAS-OLZOCXBDSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@@]1(CN)CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143020 583948236 /nfs/dbraw/zinc/94/82/36/583948236.db2.gz JFEUYXISWXPGAS-OLZOCXBDSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143020 583948237 /nfs/dbraw/zinc/94/82/37/583948237.db2.gz JFEUYXISWXPGAS-OLZOCXBDSA-N 1 3 238.375 1.616 20 0 BDADHO C[NH+]1CCC(Nc2ccnc(CO)c2)CC1 ZINC000858322763 588945627 /nfs/dbraw/zinc/94/56/27/588945627.db2.gz IPLAKJAADSVVOK-UHFFFAOYSA-N 1 3 221.304 1.080 20 0 BDADHO C[NH+](C)[C@@H](CNc1ccnc(CO)c1)C1CC1 ZINC000858393769 588951138 /nfs/dbraw/zinc/95/11/38/588951138.db2.gz ZDFGCUCBFUHDMX-ZDUSSCGKSA-N 1 3 235.331 1.326 20 0 BDADHO CC(C)[NH+]1CCC(NCC[C@H](O)C2CC2)CC1 ZINC000898202868 584089573 /nfs/dbraw/zinc/08/95/73/584089573.db2.gz DUWPZIZBVCHZCC-AWEZNQCLSA-N 1 3 240.391 1.610 20 0 BDADHO CN(CC[N@H+](C)C1CC1)c1ccnc(CO)c1 ZINC000858486937 588960100 /nfs/dbraw/zinc/96/01/00/588960100.db2.gz RIFQAODXARZWHX-UHFFFAOYSA-N 1 3 235.331 1.104 20 0 BDADHO CN(CC[N@@H+](C)C1CC1)c1ccnc(CO)c1 ZINC000858486937 588960101 /nfs/dbraw/zinc/96/01/01/588960101.db2.gz RIFQAODXARZWHX-UHFFFAOYSA-N 1 3 235.331 1.104 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321134 584552202 /nfs/dbraw/zinc/55/22/02/584552202.db2.gz UXISSJKIGLVDCJ-RWMBFGLXSA-N 1 3 242.407 1.761 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902321134 584552203 /nfs/dbraw/zinc/55/22/03/584552203.db2.gz UXISSJKIGLVDCJ-RWMBFGLXSA-N 1 3 242.407 1.761 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902347093 584559023 /nfs/dbraw/zinc/55/90/23/584559023.db2.gz KTOKROPDBRWIME-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@H](O)CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347093 584559024 /nfs/dbraw/zinc/55/90/24/584559024.db2.gz KTOKROPDBRWIME-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CSCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326127 584560505 /nfs/dbraw/zinc/56/05/05/584560505.db2.gz BCAUPAJNUYDSNL-JTQLQIEISA-N 1 3 216.394 1.717 20 0 BDADHO CSCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902326127 584560506 /nfs/dbraw/zinc/56/05/06/584560506.db2.gz BCAUPAJNUYDSNL-JTQLQIEISA-N 1 3 216.394 1.717 20 0 BDADHO CC[C@@H](CCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902358693 584570888 /nfs/dbraw/zinc/57/08/88/584570888.db2.gz CMIIGRRBXBOHJZ-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000902412461 584576204 /nfs/dbraw/zinc/57/62/04/584576204.db2.gz AHGMHUBCFLNHBQ-NWDGAFQWSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H](CN(C)C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384347 584577533 /nfs/dbraw/zinc/57/75/33/584577533.db2.gz JFAZJSYDJSTLLP-NWDGAFQWSA-N 1 3 227.396 1.304 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902384509 584577713 /nfs/dbraw/zinc/57/77/13/584577713.db2.gz LQCSRMWVXSXQSN-QWHCGFSZSA-N 1 3 242.407 1.619 20 0 BDADHO CC(C)(CO)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902387309 584579132 /nfs/dbraw/zinc/57/91/32/584579132.db2.gz JJGFSLGYMIWBLN-GFCCVEGCSA-N 1 3 242.407 1.763 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@@H](C)O ZINC000902389172 584580670 /nfs/dbraw/zinc/58/06/70/584580670.db2.gz VOFBRGPQNLNTDZ-WOPDTQHZSA-N 1 3 228.380 1.514 20 0 BDADHO CC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](C)O ZINC000902389172 584580671 /nfs/dbraw/zinc/58/06/71/584580671.db2.gz VOFBRGPQNLNTDZ-WOPDTQHZSA-N 1 3 228.380 1.514 20 0 BDADHO CO[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389084 584580679 /nfs/dbraw/zinc/58/06/79/584580679.db2.gz RXXQWEBDJNIFKF-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000902391457 584581895 /nfs/dbraw/zinc/58/18/95/584581895.db2.gz GEOOMLPYWBOHPH-CHWSQXEVSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H](CO)C2CCC2)C1 ZINC000902391457 584581897 /nfs/dbraw/zinc/58/18/97/584581897.db2.gz GEOOMLPYWBOHPH-CHWSQXEVSA-N 1 3 240.391 1.515 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCNCC(C)(C)C2)CC1 ZINC000902391445 584582420 /nfs/dbraw/zinc/58/24/20/584582420.db2.gz GAUWFWYQIVRZGP-GFCCVEGCSA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000902392083 584583053 /nfs/dbraw/zinc/58/30/53/584583053.db2.gz JZJOFEXCRMQYRJ-LOWDOPEQSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394518 584584550 /nfs/dbraw/zinc/58/45/50/584584550.db2.gz YLQTXNWOTHZCGS-UTUOFQBUSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](CSC(C)(C)C)NCC1([NH3+])CC1 ZINC000902416449 584590657 /nfs/dbraw/zinc/59/06/57/584590657.db2.gz OIKFYIXLCGJZGH-VIFPVBQESA-N 1 3 216.394 1.988 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000902434291 584596231 /nfs/dbraw/zinc/59/62/31/584596231.db2.gz NDVHIZHQHHZWNE-ZGKBOVNRSA-N 1 3 245.370 1.328 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000902434287 584596240 /nfs/dbraw/zinc/59/62/40/584596240.db2.gz NDVHIZHQHHZWNE-NMFUWQPSSA-N 1 3 245.370 1.328 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436569 584596739 /nfs/dbraw/zinc/59/67/39/584596739.db2.gz ZWDQIYDJYCQVQF-CJYSPXJISA-N 1 3 245.370 1.199 20 0 BDADHO CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000902444252 584598122 /nfs/dbraw/zinc/59/81/22/584598122.db2.gz MXZPBWGIYGJVGD-TUAOUCFPSA-N 1 3 208.349 1.763 20 0 BDADHO Cc1ccncc1[C@@H](C)[NH2+]CC1(N)CC1 ZINC000902414239 584599841 /nfs/dbraw/zinc/59/98/41/584599841.db2.gz UDWHXPPKNDSOJJ-SNVBAGLBSA-N 1 3 205.305 1.532 20 0 BDADHO C[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CN1C1CC1 ZINC000902474493 584601951 /nfs/dbraw/zinc/60/19/51/584601951.db2.gz FPECVYALCYHSLE-QPKSUZNQSA-N 1 3 235.375 1.094 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452866 584607884 /nfs/dbraw/zinc/60/78/84/584607884.db2.gz MTGRGFATDMFNEI-QLHLUDRRSA-N 1 3 234.343 1.022 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452866 584607885 /nfs/dbraw/zinc/60/78/85/584607885.db2.gz MTGRGFATDMFNEI-QLHLUDRRSA-N 1 3 234.343 1.022 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCN1CCC(C)(C)C1 ZINC000902456654 584610193 /nfs/dbraw/zinc/61/01/93/584610193.db2.gz QADQPTLNIXCPQH-CHWSQXEVSA-N 1 3 239.407 1.448 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902464257 584613009 /nfs/dbraw/zinc/61/30/09/584613009.db2.gz AWJMYYYNLJTCQN-ODXJTPSBSA-N 1 3 238.375 1.673 20 0 BDADHO C1CC2(CCOCC2)[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468914 584615731 /nfs/dbraw/zinc/61/57/31/584615731.db2.gz YAXMFKJTXJEFIA-XQHKEYJVSA-N 1 3 236.359 1.428 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902471231 584616814 /nfs/dbraw/zinc/61/68/14/584616814.db2.gz KQBDHXUECULBAZ-PREPNJAASA-N 1 3 210.321 1.036 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCC[C@@H](O)C2CC2)C12CCC2 ZINC000902504613 584621341 /nfs/dbraw/zinc/62/13/41/584621341.db2.gz OYNFGDSDQDMKJR-UTUOFQBUSA-N 1 3 224.348 1.007 20 0 BDADHO Cc1nccnc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487920 584626739 /nfs/dbraw/zinc/62/67/39/584626739.db2.gz VWIFQBGFSVJNPI-DCAQKATOSA-N 1 3 220.320 1.173 20 0 BDADHO Cc1ncccc1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000902514266 584629469 /nfs/dbraw/zinc/62/94/69/584629469.db2.gz RJQRHBJGVACJNK-STQMWFEESA-N 1 3 219.332 1.402 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC/C=C\Cl ZINC000902517487 584630064 /nfs/dbraw/zinc/63/00/64/584630064.db2.gz IIBFQQXOLXYGMA-YWWWGHDXSA-N 1 3 202.729 1.846 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C/C=C/Cl ZINC000902518139 584631065 /nfs/dbraw/zinc/63/10/65/584631065.db2.gz KXCQDYQBPHESMJ-WQFVMHTJSA-N 1 3 202.729 1.989 20 0 BDADHO C[C@H]1NCCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902518470 584631105 /nfs/dbraw/zinc/63/11/05/584631105.db2.gz LORNUGCUWMGXBQ-AQNFWKISSA-N 1 3 246.354 1.375 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(CCO)CC(C)(C)C ZINC000903434276 584762002 /nfs/dbraw/zinc/76/20/02/584762002.db2.gz ABMMSVSCZUZTRM-NEPJUHHUSA-N 1 3 228.380 1.182 20 0 BDADHO C(C[N@H+](C1CC1)C1CCNCC1)OC1CC1 ZINC000903420526 584763991 /nfs/dbraw/zinc/76/39/91/584763991.db2.gz ARDLVLOIMHGIEC-UHFFFAOYSA-N 1 3 224.348 1.382 20 0 BDADHO C(C[N@@H+](C1CC1)C1CCNCC1)OC1CC1 ZINC000903420526 584763992 /nfs/dbraw/zinc/76/39/92/584763992.db2.gz ARDLVLOIMHGIEC-UHFFFAOYSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1CCO ZINC000903463981 584767272 /nfs/dbraw/zinc/76/72/72/584767272.db2.gz VLKPZRLMCKXJOG-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(c2ncc[nH]2)CC1 ZINC000903442603 584767668 /nfs/dbraw/zinc/76/76/68/584767668.db2.gz UCINPFPQNJMUHZ-YPMHNXCESA-N 1 3 248.374 1.445 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](c2ccccn2)C1 ZINC000903455277 584773920 /nfs/dbraw/zinc/77/39/20/584773920.db2.gz SHSPISQULRSGFG-MCIONIFRSA-N 1 3 245.370 1.726 20 0 BDADHO C1=CCC(C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903471474 584775653 /nfs/dbraw/zinc/77/56/53/584775653.db2.gz JPCQAPMAOQENMJ-GFCCVEGCSA-N 1 3 206.333 1.827 20 0 BDADHO [NH3+]CCCN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491212 584780905 /nfs/dbraw/zinc/78/09/05/584780905.db2.gz ZIWUSLNTESUDNR-KGLIPLIRSA-N 1 3 216.328 1.609 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903560058 584782426 /nfs/dbraw/zinc/78/24/26/584782426.db2.gz RWCGGMDKUCXKMK-GARJFASQSA-N 1 3 212.337 1.081 20 0 BDADHO COCCCCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903854464 584809090 /nfs/dbraw/zinc/80/90/90/584809090.db2.gz JGMCJHAQCLKYDG-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO Cc1c(C[C@@H](C[NH3+])CN(C)C(C)C)cnn1C ZINC000903873635 584816133 /nfs/dbraw/zinc/81/61/33/584816133.db2.gz VXZSVQWMXPNBCD-LBPRGKRZSA-N 1 3 238.379 1.186 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903874479 584816432 /nfs/dbraw/zinc/81/64/32/584816432.db2.gz BQXLDRJMAQMPEU-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CNCCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903874479 584816433 /nfs/dbraw/zinc/81/64/33/584816433.db2.gz BQXLDRJMAQMPEU-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@H]([NH3+])CC(F)F ZINC000903923159 584823476 /nfs/dbraw/zinc/82/34/76/584823476.db2.gz MYWQJDHDNJRPNR-ZJUUUORDSA-N 1 3 238.322 1.356 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@H]([NH3+])CC(F)F ZINC000903923156 584823571 /nfs/dbraw/zinc/82/35/71/584823571.db2.gz MYWQJDHDNJRPNR-NXEZZACHSA-N 1 3 238.322 1.356 20 0 BDADHO Cc1cc(CNCC2C[C@H]3CC[C@@H](C2)[NH2+]3)on1 ZINC000903926296 584824481 /nfs/dbraw/zinc/82/44/81/584824481.db2.gz KJEJBSPQEMOJBK-YOGCLGLASA-N 1 3 235.331 1.603 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969775 584832260 /nfs/dbraw/zinc/83/22/60/584832260.db2.gz KXIWKLIXDQQDNW-UPJWGTAASA-N 1 3 238.375 1.391 20 0 BDADHO CC(C)(C)CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974114 584832574 /nfs/dbraw/zinc/83/25/74/584832574.db2.gz MCDVNICOVJEHLP-GFCCVEGCSA-N 1 3 240.391 1.781 20 0 BDADHO COC1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 ZINC000903963682 584833743 /nfs/dbraw/zinc/83/37/43/584833743.db2.gz FRORINPXHBGEFZ-HBIQZDMRSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)[C@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966746 584834343 /nfs/dbraw/zinc/83/43/43/584834343.db2.gz AWTOWWIGJDEELS-XJFOESAGSA-N 1 3 240.391 1.635 20 0 BDADHO CN(CCCCCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904341967 584867084 /nfs/dbraw/zinc/86/70/84/584867084.db2.gz SMGIUPXAIJPWCD-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO C[N@H+](CCCCCO)C[C@]1(C)CCCNC1 ZINC000904341967 584867085 /nfs/dbraw/zinc/86/70/85/584867085.db2.gz SMGIUPXAIJPWCD-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO C[N@@H+](CCCCCO)C[C@]1(C)CCCNC1 ZINC000904341967 584867086 /nfs/dbraw/zinc/86/70/86/584867086.db2.gz SMGIUPXAIJPWCD-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO [NH3+]C[C@@H]1CC2(CO1)CCN(CC1(F)CC1)CC2 ZINC000904393418 584875699 /nfs/dbraw/zinc/87/56/99/584875699.db2.gz SZBHUKLCOFEXLM-NSHDSACASA-N 1 3 242.338 1.318 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412930 584879970 /nfs/dbraw/zinc/87/99/70/584879970.db2.gz ZKDVZUGUQGZCPL-ZYHUDNBSSA-N 1 3 249.358 1.512 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412930 584879972 /nfs/dbraw/zinc/87/99/72/584879972.db2.gz ZKDVZUGUQGZCPL-ZYHUDNBSSA-N 1 3 249.358 1.512 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913808 584991408 /nfs/dbraw/zinc/99/14/08/584991408.db2.gz SWADAPKEYKFGFC-ZIHBUVQPSA-N 1 3 240.391 1.658 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000361674980 585025123 /nfs/dbraw/zinc/02/51/23/585025123.db2.gz JBCWAYDKFXECLB-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000361674980 585025124 /nfs/dbraw/zinc/02/51/24/585025124.db2.gz JBCWAYDKFXECLB-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CCCN(C)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000741215600 585111434 /nfs/dbraw/zinc/11/14/34/585111434.db2.gz IWPDQTUUSDJNHN-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO C[C@@H]1CC(C)(C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000839659409 585333617 /nfs/dbraw/zinc/33/36/17/585333617.db2.gz CTDRAHVYPKYSPK-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCN1C ZINC000761079505 585406765 /nfs/dbraw/zinc/40/67/65/585406765.db2.gz ZXMDERBLMWPIFG-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCN1C ZINC000761079505 585406766 /nfs/dbraw/zinc/40/67/66/585406766.db2.gz ZXMDERBLMWPIFG-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H]2C[C@H]21 ZINC000761088070 585407738 /nfs/dbraw/zinc/40/77/38/585407738.db2.gz QAKDCBDRWMCDML-YNEHKIRRSA-N 1 3 208.349 1.955 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2C[C@H]21 ZINC000761088070 585407739 /nfs/dbraw/zinc/40/77/39/585407739.db2.gz QAKDCBDRWMCDML-YNEHKIRRSA-N 1 3 208.349 1.955 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779393282 585753149 /nfs/dbraw/zinc/75/31/49/585753149.db2.gz RCYUWICCVGJMTL-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1CN(CCC[NH+]2CCCCC2)CCN1C ZINC000781904154 585805271 /nfs/dbraw/zinc/80/52/71/585805271.db2.gz NKFGVGXLLAVBFG-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@@H](NCCN1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912361 586831393 /nfs/dbraw/zinc/83/13/93/586831393.db2.gz GJFOLGAYJMAQTG-XQQFMLRXSA-N 1 3 225.380 1.201 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817892207 586832847 /nfs/dbraw/zinc/83/28/47/586832847.db2.gz KHCJXEGVNGCJLB-RBSFLKMASA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)c1ccccc1 ZINC000817894323 586834066 /nfs/dbraw/zinc/83/40/66/586834066.db2.gz LLAKNQKJQUSKQS-GVXVVHGQSA-N 1 3 222.332 1.435 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000817904122 586837048 /nfs/dbraw/zinc/83/70/48/586837048.db2.gz UZBGNCXUQDINIC-AGIUHOORSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000817904122 586837049 /nfs/dbraw/zinc/83/70/49/586837049.db2.gz UZBGNCXUQDINIC-AGIUHOORSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccco1 ZINC000817913853 586838948 /nfs/dbraw/zinc/83/89/48/586838948.db2.gz NGIDLANOKYUCIU-DCAQKATOSA-N 1 3 210.321 1.926 20 0 BDADHO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000817926371 586840899 /nfs/dbraw/zinc/84/08/99/586840899.db2.gz HOUIESMCOILDPX-IHRRRGAJSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC=CO1 ZINC000817924867 586841680 /nfs/dbraw/zinc/84/16/80/586841680.db2.gz ZPQOUIAKIIOGDZ-AGIUHOORSA-N 1 3 224.348 1.657 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000817924867 586841682 /nfs/dbraw/zinc/84/16/82/586841682.db2.gz ZPQOUIAKIIOGDZ-AGIUHOORSA-N 1 3 224.348 1.657 20 0 BDADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000817933173 586843621 /nfs/dbraw/zinc/84/36/21/586843621.db2.gz ZASUEEXGKZYIRX-QLFBSQMISA-N 1 3 248.370 1.806 20 0 BDADHO c1[nH]nc2c1[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976622 586860249 /nfs/dbraw/zinc/86/02/49/586860249.db2.gz PSLIIIXYFOOALX-DGCLKSJQSA-N 1 3 246.358 1.519 20 0 BDADHO C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820807264 587073338 /nfs/dbraw/zinc/07/33/38/587073338.db2.gz DSJCUEFTXVOCQU-KVAMGIGCSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820807264 587073340 /nfs/dbraw/zinc/07/33/40/587073340.db2.gz DSJCUEFTXVOCQU-KVAMGIGCSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@H](CCO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820810951 587073915 /nfs/dbraw/zinc/07/39/15/587073915.db2.gz HZMATWWWJJSNNX-WDFAYWTNSA-N 1 3 238.375 1.505 20 0 BDADHO C[C@H](CCO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820810951 587073917 /nfs/dbraw/zinc/07/39/17/587073917.db2.gz HZMATWWWJJSNNX-WDFAYWTNSA-N 1 3 238.375 1.505 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)CO)c1cccc(CN(C)C)c1 ZINC000820812300 587074291 /nfs/dbraw/zinc/07/42/91/587074291.db2.gz HZVXFQOGAMPGCW-NWDGAFQWSA-N 1 3 236.359 1.780 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000834452689 587755483 /nfs/dbraw/zinc/75/54/83/587755483.db2.gz JQSLHBTUPNZDEA-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCCNCC2)CCO1 ZINC000841057126 587940778 /nfs/dbraw/zinc/94/07/78/587940778.db2.gz ILTKIMOAJSQPFK-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841076939 587944204 /nfs/dbraw/zinc/94/42/04/587944204.db2.gz UHOASAODHHDFAJ-FBDQPXRJSA-N 1 3 246.445 1.691 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](NCc2cccnc2Cl)C1 ZINC000841084440 587945747 /nfs/dbraw/zinc/94/57/47/587945747.db2.gz JKMHMTKHZBBIIL-ONGXEEELSA-N 1 3 239.750 1.952 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(CN)c1 ZINC000841850281 587977732 /nfs/dbraw/zinc/97/77/32/587977732.db2.gz JMVSIHFVCUJXGC-GWCFXTLKSA-N 1 3 247.342 1.016 20 0 BDADHO CC[C@@H](NCCCCCC[NH3+])c1nccn1C ZINC000843340368 588101160 /nfs/dbraw/zinc/10/11/60/588101160.db2.gz BOQYXYCCMCWUHY-GFCCVEGCSA-N 1 3 238.379 1.980 20 0 BDADHO NCc1cccc(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000843514050 588118237 /nfs/dbraw/zinc/11/82/37/588118237.db2.gz RFAFKLKUVFLIKC-UHFFFAOYSA-N 1 3 247.342 1.017 20 0 BDADHO COC[C@@H]1CN(CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221377 588261014 /nfs/dbraw/zinc/26/10/14/588261014.db2.gz XYJKQAHLMLNVLG-OLZOCXBDSA-N 1 3 244.379 1.241 20 0 BDADHO CN(CCOCC[NH3+])[C@H]1C[C@@H]1c1ccccc1 ZINC000846221341 588261098 /nfs/dbraw/zinc/26/10/98/588261098.db2.gz BZTNIGZXNAUHPD-KGLIPLIRSA-N 1 3 234.343 1.450 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848717269 588407795 /nfs/dbraw/zinc/40/77/95/588407795.db2.gz PUTRIVXEOOFGNB-SOUVJXGZSA-N 1 3 248.370 1.888 20 0 BDADHO CC[C@H](CNC(=[NH2+])NC1CCC1)N1CCCC1 ZINC000848986327 588425614 /nfs/dbraw/zinc/42/56/14/588425614.db2.gz CLILDKALPYAPNL-GFCCVEGCSA-N 1 3 238.379 1.527 20 0 BDADHO CCCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000848987009 588425624 /nfs/dbraw/zinc/42/56/24/588425624.db2.gz DOKVTPDBIKHSSY-VXGBXAGGSA-N 1 3 240.395 1.773 20 0 BDADHO CC(C)CCNC(=[NH2+])NCCNc1ccncc1 ZINC000848995431 588428789 /nfs/dbraw/zinc/42/87/89/588428789.db2.gz WQUCZIYOAJJTMO-UHFFFAOYSA-N 1 3 249.362 1.075 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CC ZINC000849028045 588441287 /nfs/dbraw/zinc/44/12/87/588441287.db2.gz YYLJZIIASKMSLO-RYUDHWBXSA-N 1 3 240.395 1.773 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N(CC)CC ZINC000849027885 588441625 /nfs/dbraw/zinc/44/16/25/588441625.db2.gz OIFZUMQJBGQCKH-LBPRGKRZSA-N 1 3 240.395 1.727 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771947 588625751 /nfs/dbraw/zinc/62/57/51/588625751.db2.gz SKPKXJSDRRZANG-VXGBXAGGSA-N 1 3 242.363 1.021 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771947 588625752 /nfs/dbraw/zinc/62/57/52/588625752.db2.gz SKPKXJSDRRZANG-VXGBXAGGSA-N 1 3 242.363 1.021 20 0 BDADHO COC(CC[N@H+](C)CCCN1CCCC1)OC ZINC000852008440 588654862 /nfs/dbraw/zinc/65/48/62/588654862.db2.gz VLECKEAFDIAWCT-UHFFFAOYSA-N 1 3 244.379 1.413 20 0 BDADHO COC(CC[N@@H+](C)CCCN1CCCC1)OC ZINC000852008440 588654863 /nfs/dbraw/zinc/65/48/63/588654863.db2.gz VLECKEAFDIAWCT-UHFFFAOYSA-N 1 3 244.379 1.413 20 0 BDADHO NCC[N@H+](CCO)CC[C@@H]1CCc2ccccc21 ZINC000852747053 588699243 /nfs/dbraw/zinc/69/92/43/588699243.db2.gz WIOKKRXIIBJHMR-AWEZNQCLSA-N 1 3 248.370 1.360 20 0 BDADHO NCC[N@@H+](CCO)CC[C@@H]1CCc2ccccc21 ZINC000852747053 588699244 /nfs/dbraw/zinc/69/92/44/588699244.db2.gz WIOKKRXIIBJHMR-AWEZNQCLSA-N 1 3 248.370 1.360 20 0 BDADHO CC1(C[NH2+][C@@H]2CCNC23CCC3)CCOCC1 ZINC000863483265 589292528 /nfs/dbraw/zinc/29/25/28/589292528.db2.gz TYSZXLHFOQIRCJ-GFCCVEGCSA-N 1 3 238.375 1.677 20 0 BDADHO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC23CCC3)CCO1 ZINC000863483743 589293108 /nfs/dbraw/zinc/29/31/08/589293108.db2.gz ZRVVHVGFZLQSAX-AGIUHOORSA-N 1 3 238.375 1.676 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+][C@@H]2CCNC2)CCO1 ZINC000863489374 589293651 /nfs/dbraw/zinc/29/36/51/589293651.db2.gz YIGZYLQZMDPUTK-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO CN1CC=C(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864462639 589369745 /nfs/dbraw/zinc/36/97/45/589369745.db2.gz OFAQTBSUPLOHQD-UHFFFAOYSA-N 1 3 236.363 1.162 20 0 BDADHO C[C@H]1C[C@H]1NC(=[NH2+])NCCN1CCCC1(C)C ZINC000864465677 589371101 /nfs/dbraw/zinc/37/11/01/589371101.db2.gz BLBTWITYUYJNLT-WDEREUQCSA-N 1 3 238.379 1.383 20 0 BDADHO CN1CC[C@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000866585427 589501654 /nfs/dbraw/zinc/50/16/54/589501654.db2.gz XYWIALXVWAQLIS-AAEUAGOBSA-N 1 3 208.349 1.955 20 0 BDADHO CN1CC[C@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000866585427 589501656 /nfs/dbraw/zinc/50/16/56/589501656.db2.gz XYWIALXVWAQLIS-AAEUAGOBSA-N 1 3 208.349 1.955 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(CCCC1CC1)C2 ZINC000866668686 589509994 /nfs/dbraw/zinc/50/99/94/589509994.db2.gz ICXIQMNESWLGRH-STQMWFEESA-N 1 3 208.349 1.990 20 0 BDADHO CCCCOC(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000866671921 589510696 /nfs/dbraw/zinc/51/06/96/589510696.db2.gz CLGIQVQUSCJFDX-VXGBXAGGSA-N 1 3 242.363 1.246 20 0 BDADHO CCO[C@H](CN1CC[NH2+]CCC1(C)C)C1CC1 ZINC000866697395 589512706 /nfs/dbraw/zinc/51/27/06/589512706.db2.gz OLRZJCXPYVRLME-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[NH3+])C(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867988464 589542550 /nfs/dbraw/zinc/54/25/50/589542550.db2.gz MHHMONQKUBNLRX-BXKDBHETSA-N 1 3 247.342 1.406 20 0 BDADHO NCc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870933814 589698053 /nfs/dbraw/zinc/69/80/53/589698053.db2.gz XUPPARWCELFDCW-TXEJJXNPSA-N 1 3 247.342 1.601 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872141903 589882623 /nfs/dbraw/zinc/88/26/23/589882623.db2.gz ZCLSFPLDWDJWAM-NEPJUHHUSA-N 1 3 224.348 1.369 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000872141903 589882624 /nfs/dbraw/zinc/88/26/24/589882624.db2.gz ZCLSFPLDWDJWAM-NEPJUHHUSA-N 1 3 224.348 1.369 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145581 589884254 /nfs/dbraw/zinc/88/42/54/589884254.db2.gz UTNRMSAUQWWAJN-UPJWGTAASA-N 1 3 238.375 1.472 20 0 BDADHO CC1(C)CO[C@H](CN[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000872144479 589884382 /nfs/dbraw/zinc/88/43/82/589884382.db2.gz GDZQRYFBYXTKCO-QJPTWQEYSA-N 1 3 226.364 1.661 20 0 BDADHO Cc1conc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000872145575 589884480 /nfs/dbraw/zinc/88/44/80/589884480.db2.gz UDNGSBQOGIRBLT-GFCCVEGCSA-N 1 3 249.358 1.947 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCOC2)C1 ZINC000872252578 589900454 /nfs/dbraw/zinc/90/04/54/589900454.db2.gz ULYAYLQYVCPQIU-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H]([NH3+])CNCc1cc2c(s1)CCNC2 ZINC000873212162 589996683 /nfs/dbraw/zinc/99/66/83/589996683.db2.gz IWRPARWEMQEEAI-JTQLQIEISA-N 1 3 239.388 1.221 20 0 BDADHO [NH3+]CCCNC1([C@H]2CCCCO2)CCC1 ZINC000873224642 590001122 /nfs/dbraw/zinc/00/11/22/590001122.db2.gz DLPTWYFAZWJUAL-LLVKDONJSA-N 1 3 212.337 1.417 20 0 BDADHO NCCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000873224642 590001124 /nfs/dbraw/zinc/00/11/24/590001124.db2.gz DLPTWYFAZWJUAL-LLVKDONJSA-N 1 3 212.337 1.417 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCC1CC1 ZINC000873253554 590009351 /nfs/dbraw/zinc/00/93/51/590009351.db2.gz ZBBFMLKVBNNHGB-YUTCNCBUSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnccn1 ZINC000873259955 590013658 /nfs/dbraw/zinc/01/36/58/590013658.db2.gz PEOSAFBDJMYMMI-FVCCEPFGSA-N 1 3 246.358 1.658 20 0 BDADHO C[C@@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269184 590015785 /nfs/dbraw/zinc/01/57/85/590015785.db2.gz DLFSHRFYDPTBNJ-NQBHXWOUSA-N 1 3 248.374 1.867 20 0 BDADHO C[C@H](N[C@@H](C)C1CC[NH2+]CC1)c1nccn1C ZINC000873271409 590016001 /nfs/dbraw/zinc/01/60/01/590016001.db2.gz HCCJTLASTHQANU-QWRGUYRKSA-N 1 3 236.363 1.459 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CC(C)(C)CO1 ZINC000873282954 590019228 /nfs/dbraw/zinc/01/92/28/590019228.db2.gz XQPHJPDBIRYQMD-AXFHLTTASA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cc(N)cc(F)c1 ZINC000873291555 590023402 /nfs/dbraw/zinc/02/34/02/590023402.db2.gz XDHUCYNGWIJOIO-RKDXNWHRSA-N 1 3 225.311 1.623 20 0 BDADHO c1ccc2c(c1)CN[C@H](CNC1CC[NH2+]CC1)C2 ZINC000873296688 590024728 /nfs/dbraw/zinc/02/47/28/590024728.db2.gz LEOXEUSYLJQAFW-HNNXBMFYSA-N 1 3 245.370 1.043 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1Cc2ccccc2CN1 ZINC000873296931 590024779 /nfs/dbraw/zinc/02/47/79/590024779.db2.gz NWLWCBSKEFUXJV-KFWWJZLASA-N 1 3 245.370 1.170 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000877095715 590281745 /nfs/dbraw/zinc/28/17/45/590281745.db2.gz PKCBOPOKLKISIC-GMXVVIOVSA-N 1 3 249.358 1.128 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000877106907 590285225 /nfs/dbraw/zinc/28/52/25/590285225.db2.gz XVPCRJZSPYHYSE-GXFFZTMASA-N 1 3 247.342 1.027 20 0 BDADHO NCc1cccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000877293017 590307876 /nfs/dbraw/zinc/30/78/76/590307876.db2.gz WDHIIIFRMJVGND-JOCQHMNTSA-N 1 3 247.342 1.145 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578011 590815284 /nfs/dbraw/zinc/81/52/84/590815284.db2.gz AEAJIKGZVMSZOL-STQMWFEESA-N 1 3 238.375 1.318 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578011 590815290 /nfs/dbraw/zinc/81/52/90/590815290.db2.gz AEAJIKGZVMSZOL-STQMWFEESA-N 1 3 238.375 1.318 20 0 BDADHO CN1CCC[C@H]1CC[NH+]1CCC(F)CC1 ZINC000880239919 590972276 /nfs/dbraw/zinc/97/22/76/590972276.db2.gz KAMOJNJOOAVWHZ-LBPRGKRZSA-N 1 3 214.328 1.905 20 0 BDADHO CO[C@@H](C)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260026 590980063 /nfs/dbraw/zinc/98/00/63/590980063.db2.gz MJQUFRYTHVBLOG-OLZOCXBDSA-N 1 3 249.358 1.627 20 0 BDADHO C[C@@H]1CN(CCCF)CCN1c1cc[nH+]cc1 ZINC000880260909 590980075 /nfs/dbraw/zinc/98/00/75/590980075.db2.gz GPGHQLMJFVQXIZ-GFCCVEGCSA-N 1 3 237.322 1.952 20 0 BDADHO CCC[C@@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880474377 591054168 /nfs/dbraw/zinc/05/41/68/591054168.db2.gz HNSZPMOWDFRWGZ-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CCCCOC(=O)CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000883442858 591670060 /nfs/dbraw/zinc/67/00/60/591670060.db2.gz UOMCBEDNSDWBKQ-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO CCCCOC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000883442858 591670061 /nfs/dbraw/zinc/67/00/61/591670061.db2.gz UOMCBEDNSDWBKQ-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@](C[NH3+])(NCCSC(F)(F)F)C1CC1 ZINC000886830675 592355108 /nfs/dbraw/zinc/35/51/08/592355108.db2.gz VWWOOKYASPMIFS-MRVPVSSYSA-N 1 3 242.310 1.956 20 0 BDADHO COC1CC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000220841180 592364824 /nfs/dbraw/zinc/36/48/24/592364824.db2.gz JJGLXWWJBRMXRZ-TYUFSLCMSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000220841180 592364827 /nfs/dbraw/zinc/36/48/27/592364827.db2.gz JJGLXWWJBRMXRZ-TYUFSLCMSA-N 1 3 224.348 1.380 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859732 592371478 /nfs/dbraw/zinc/37/14/78/592371478.db2.gz CJCIDXVKGNOJKX-MGPQQGTHSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859732 592371480 /nfs/dbraw/zinc/37/14/80/592371480.db2.gz CJCIDXVKGNOJKX-MGPQQGTHSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@H]1C[C@@H](NC[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734852 592445159 /nfs/dbraw/zinc/44/51/59/592445159.db2.gz MMILFXRAWYPNRF-AEGPPILISA-N 1 3 248.370 1.792 20 0 BDADHO C[C@H]1C[C@@H](NC[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734852 592445162 /nfs/dbraw/zinc/44/51/62/592445162.db2.gz MMILFXRAWYPNRF-AEGPPILISA-N 1 3 248.370 1.792 20 0 BDADHO CC[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133077 592450107 /nfs/dbraw/zinc/45/01/07/592450107.db2.gz SSEAZDWVQVJRAU-TZMCWYRMSA-N 1 3 249.358 1.363 20 0 BDADHO CC[C@H](CNC(=[NH2+])NCC(F)F)N1CCCC1 ZINC000887348526 592484518 /nfs/dbraw/zinc/48/45/18/592484518.db2.gz MKMOPIZWOBFXGV-SECBINFHSA-N 1 3 248.321 1.240 20 0 BDADHO O[C@@H](CN1CCCCCC1)C[NH+]1CCCC1 ZINC000309060162 631834916 /nfs/dbraw/zinc/83/49/16/631834916.db2.gz WLXBAPWQLOWVDZ-ZDUSSCGKSA-N 1 3 226.364 1.319 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2OC)C1 ZINC000309372307 632025389 /nfs/dbraw/zinc/02/53/89/632025389.db2.gz POEMHOXNCQWNIT-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@]1(CNC[C@H]([NH3+])CC(F)F)CCCO1 ZINC000309044876 632623274 /nfs/dbraw/zinc/62/32/74/632623274.db2.gz MKLPPAHONNQFJN-PSASIEDQSA-N 1 3 222.279 1.128 20 0 BDADHO CC[C@]1(C)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983434 632690019 /nfs/dbraw/zinc/69/00/19/632690019.db2.gz YINUTVVAGUNNHG-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)S[C@@H](C)C1 ZINC000235665111 632809180 /nfs/dbraw/zinc/80/91/80/632809180.db2.gz HZLSABUIZNZRBW-RHYQMDGZSA-N 1 3 228.405 1.668 20 0 BDADHO C[C@@H](CN)[N@H+](C)CCc1cccc(F)c1 ZINC000107151145 635827731 /nfs/dbraw/zinc/82/77/31/635827731.db2.gz CEOWOPFAZZRUHH-JTQLQIEISA-N 1 3 210.296 1.647 20 0 BDADHO C[C@@H](CN)[N@@H+](C)CCc1cccc(F)c1 ZINC000107151145 635827734 /nfs/dbraw/zinc/82/77/34/635827734.db2.gz CEOWOPFAZZRUHH-JTQLQIEISA-N 1 3 210.296 1.647 20 0 BDADHO C1=CC[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328419651 633763142 /nfs/dbraw/zinc/76/31/42/633763142.db2.gz JLVCWLXIKADBDM-UQGHGMQMSA-N 1 3 232.371 1.929 20 0 BDADHO C[C@@H]1CCC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925504647 633833184 /nfs/dbraw/zinc/83/31/84/633833184.db2.gz LIRDHMCZFQJGNK-UPJWGTAASA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1(CCO)CCCC1 ZINC000925525597 633904633 /nfs/dbraw/zinc/90/46/33/633904633.db2.gz DHAZXVWJPWLRFE-OLZOCXBDSA-N 1 3 240.391 1.659 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000309955503 634050629 /nfs/dbraw/zinc/05/06/29/634050629.db2.gz IBIHXAOATKLVJS-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@]1(C)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983431 634058659 /nfs/dbraw/zinc/05/86/59/634058659.db2.gz YINUTVVAGUNNHG-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925661949 634225913 /nfs/dbraw/zinc/22/59/13/634225913.db2.gz FTSVTDKEGDEKLF-CYDGBPFRSA-N 1 3 238.375 1.804 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2C[C@@H](N)C23CCC3)cn1 ZINC000925683694 634286864 /nfs/dbraw/zinc/28/68/64/634286864.db2.gz AHLWDJAXMQPZIM-CHWSQXEVSA-N 1 3 246.358 1.187 20 0 BDADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689466 634308681 /nfs/dbraw/zinc/30/86/81/634308681.db2.gz AAIDLAQBPJFQGN-VHSXEESVSA-N 1 3 208.309 1.060 20 0 BDADHO CC1(C)CCC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925692966 634329845 /nfs/dbraw/zinc/32/98/45/634329845.db2.gz PZGWJIPUMIPUPK-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925697280 634357767 /nfs/dbraw/zinc/35/77/67/634357767.db2.gz XJJLXBKNAAYFQD-QNWHQSFQSA-N 1 3 238.375 1.802 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000925782749 635280637 /nfs/dbraw/zinc/28/06/37/635280637.db2.gz HQDNSRHTUNVIIM-DDHJBXDOSA-N 1 3 214.328 1.712 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(N)n1 ZINC000227497906 635450341 /nfs/dbraw/zinc/45/03/41/635450341.db2.gz YMNBTYAMECPSPR-VHSXEESVSA-N 1 3 235.335 1.262 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N)n1 ZINC000227497906 635450346 /nfs/dbraw/zinc/45/03/46/635450346.db2.gz YMNBTYAMECPSPR-VHSXEESVSA-N 1 3 235.335 1.262 20 0 BDADHO COC[C@H](C[NH2+][C@H](C)C1CNC1)C(C)C ZINC000925874523 635595576 /nfs/dbraw/zinc/59/55/76/635595576.db2.gz SJFVOJUHIBLXLC-PWSUYJOCSA-N 1 3 214.353 1.103 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000310386218 635820889 /nfs/dbraw/zinc/82/08/89/635820889.db2.gz HTYHCNKQZSOORC-XJFOESAGSA-N 1 3 238.375 1.173 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCC[C@H]3O)C[C@@H]2C1 ZINC000310386218 635820895 /nfs/dbraw/zinc/82/08/95/635820895.db2.gz HTYHCNKQZSOORC-XJFOESAGSA-N 1 3 238.375 1.173 20 0 BDADHO CCCCN(CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903718592 637376887 /nfs/dbraw/zinc/37/68/87/637376887.db2.gz PHCXJHKCYSHXAV-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO Cc1cn(C)nc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000903789634 637383927 /nfs/dbraw/zinc/38/39/27/637383927.db2.gz YPZGYMZHAKKUSN-ZYHUDNBSSA-N 1 3 236.363 1.145 20 0 BDADHO NC1(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000904443540 637411076 /nfs/dbraw/zinc/41/10/76/637411076.db2.gz LJGYPZQTLFLKFN-UHFFFAOYSA-N 1 3 230.311 1.543 20 0 BDADHO [NH3+]C1(CNC[C@H]2CCOc3ccccc32)CC1 ZINC000904448546 637414385 /nfs/dbraw/zinc/41/43/85/637414385.db2.gz AYNYCSNEVQMQPI-LLVKDONJSA-N 1 3 232.327 1.634 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1COC[C@H]1C1CC1 ZINC000904475127 637425192 /nfs/dbraw/zinc/42/51/92/637425192.db2.gz ISTGYNQRZMGIGN-SAXRGWBVSA-N 1 3 238.375 1.532 20 0 BDADHO [NH3+]C1CC(NC[C@H]2CCOc3ccccc32)C1 ZINC000906509538 638181247 /nfs/dbraw/zinc/18/12/47/638181247.db2.gz IJAFGVFGTNGXOZ-VOMCLLRMSA-N 1 3 232.327 1.632 20 0 BDADHO NC1CC([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000906509538 638181249 /nfs/dbraw/zinc/18/12/49/638181249.db2.gz IJAFGVFGTNGXOZ-VOMCLLRMSA-N 1 3 232.327 1.632 20 0 BDADHO C[C@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2CN)O1 ZINC000149751171 639110612 /nfs/dbraw/zinc/11/06/12/639110612.db2.gz JUBNNJOMWWZCGI-TUAOUCFPSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2CN)O1 ZINC000149751171 639110615 /nfs/dbraw/zinc/11/06/15/639110615.db2.gz JUBNNJOMWWZCGI-TUAOUCFPSA-N 1 3 212.337 1.367 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000911858465 639861436 /nfs/dbraw/zinc/86/14/36/639861436.db2.gz RODQQBQFAAZCHC-GHMZBOCLSA-N 1 3 243.395 1.384 20 0 BDADHO C[NH+](C)[C@@H]1[C@H]2CN(CCCCCCCO)C[C@H]21 ZINC000931279190 640132046 /nfs/dbraw/zinc/13/20/46/640132046.db2.gz BOQCZJOYCYNCRU-WDNDVIMCSA-N 1 3 240.391 1.421 20 0 BDADHO COC[C@H](C)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312728 640140718 /nfs/dbraw/zinc/14/07/18/640140718.db2.gz YVCKSSFLFOAMOV-YNEHKIRRSA-N 1 3 226.364 1.295 20 0 BDADHO C[N@@H+]1C[C@@]2(C)CN(CC3(C)COC3)C[C@@]2(C)C1 ZINC000931312427 640145680 /nfs/dbraw/zinc/14/56/80/640145680.db2.gz XLJYRZCTLLIITD-OKILXGFUSA-N 1 3 238.375 1.297 20 0 BDADHO C[N@H+]1C[C@@]2(C)CN(CC3(C)COC3)C[C@@]2(C)C1 ZINC000931312427 640145684 /nfs/dbraw/zinc/14/56/84/640145684.db2.gz XLJYRZCTLLIITD-OKILXGFUSA-N 1 3 238.375 1.297 20 0 BDADHO CO[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435617 640202602 /nfs/dbraw/zinc/20/26/02/640202602.db2.gz BVHLQKKKNZAMSU-DGAVXFQQSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435617 640202606 /nfs/dbraw/zinc/20/26/06/640202606.db2.gz BVHLQKKKNZAMSU-DGAVXFQQSA-N 1 3 238.375 1.437 20 0 BDADHO CC[C@@H](CO)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931685065 640315838 /nfs/dbraw/zinc/31/58/38/640315838.db2.gz YICZWJQSWCUVPH-OLZOCXBDSA-N 1 3 249.358 1.363 20 0 BDADHO CCO[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000932969366 640656007 /nfs/dbraw/zinc/65/60/07/640656007.db2.gz DDRFDTPOWGBRMQ-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO CCO[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000932969366 640656010 /nfs/dbraw/zinc/65/60/10/640656010.db2.gz DDRFDTPOWGBRMQ-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO CC(C)OCCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741653 640749935 /nfs/dbraw/zinc/74/99/35/640749935.db2.gz ZQZZSFAACPXBSL-UONOGXRCSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)OCCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741653 640749938 /nfs/dbraw/zinc/74/99/38/640749938.db2.gz ZQZZSFAACPXBSL-UONOGXRCSA-N 1 3 240.391 1.685 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231940084 641216463 /nfs/dbraw/zinc/21/64/63/641216463.db2.gz VUXLGQRQFKHDCF-YUMQZZPRSA-N 1 3 242.310 1.956 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)c2ccsc2)C1 ZINC000231978902 641226064 /nfs/dbraw/zinc/22/60/64/641226064.db2.gz HPJUXBDKWVKXMA-IJLUTSLNSA-N 1 3 240.372 1.641 20 0 BDADHO CN(CC1CC[NH+](C)CC1)c1ccnc(CO)c1 ZINC000063121359 642310651 /nfs/dbraw/zinc/31/06/51/642310651.db2.gz RTTYPZUZWOYEQV-UHFFFAOYSA-N 1 3 249.358 1.352 20 0 BDADHO CC[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915241 642711748 /nfs/dbraw/zinc/71/17/48/642711748.db2.gz FUSYZYKRNSWOFM-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@H+](CCCNC1CC1)CC1CCOCC1 ZINC000082544596 643339328 /nfs/dbraw/zinc/33/93/28/643339328.db2.gz IITBYTYIVZMFRA-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CCCNC1CC1)CC1CCOCC1 ZINC000082544596 643339331 /nfs/dbraw/zinc/33/93/31/643339331.db2.gz IITBYTYIVZMFRA-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO O=c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc[nH]1 ZINC000921526813 643587376 /nfs/dbraw/zinc/58/73/76/643587376.db2.gz IITMMUQMPDVJAU-LBPRGKRZSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc[nH]1 ZINC000921526813 643587380 /nfs/dbraw/zinc/58/73/80/643587380.db2.gz IITMMUQMPDVJAU-LBPRGKRZSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1cc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc[nH]1 ZINC000921526813 643587386 /nfs/dbraw/zinc/58/73/86/643587386.db2.gz IITMMUQMPDVJAU-LBPRGKRZSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc[nH]1 ZINC000921526811 643588283 /nfs/dbraw/zinc/58/82/83/643588283.db2.gz IITMMUQMPDVJAU-GFCCVEGCSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc[nH]1 ZINC000921526811 643588289 /nfs/dbraw/zinc/58/82/89/643588289.db2.gz IITMMUQMPDVJAU-GFCCVEGCSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1cc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc[nH]1 ZINC000921526811 643588294 /nfs/dbraw/zinc/58/82/94/643588294.db2.gz IITMMUQMPDVJAU-GFCCVEGCSA-N 1 3 247.342 1.361 20 0 BDADHO CC(C)CC[C@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923279019 644311815 /nfs/dbraw/zinc/31/18/15/644311815.db2.gz AIMPPMGCONWAMI-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)CC[C@H](O)C[N@H+](C)C1CCNCC1 ZINC000923279019 644311821 /nfs/dbraw/zinc/31/18/21/644311821.db2.gz AIMPPMGCONWAMI-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)CC[C@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923279019 644311828 /nfs/dbraw/zinc/31/18/28/644311828.db2.gz AIMPPMGCONWAMI-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)Cc1ccc(CNC(CN)C[NH3+])cc1 ZINC000923351326 644368243 /nfs/dbraw/zinc/36/82/43/644368243.db2.gz IHHHOXMRUIZPEB-UHFFFAOYSA-N 1 3 235.375 1.261 20 0 BDADHO CC(C)OCC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923366933 644377567 /nfs/dbraw/zinc/37/75/67/644377567.db2.gz BFRRMDBCVXHIHY-NWDGAFQWSA-N 1 3 246.395 1.125 20 0 BDADHO CCCCOC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368593 644380315 /nfs/dbraw/zinc/38/03/15/644380315.db2.gz RVUNRQYTPXRPDI-VXGBXAGGSA-N 1 3 246.395 1.127 20 0 BDADHO C[C@H]1CN(CCC[NH2+]C2CC2)[C@@H](C)CN1C ZINC000923370159 644381273 /nfs/dbraw/zinc/38/12/73/644381273.db2.gz DDXCQLFFDCPWIV-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO CSC[C@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923374198 644388427 /nfs/dbraw/zinc/38/84/27/644388427.db2.gz SBAXAHLMHUEANV-VXGBXAGGSA-N 1 3 246.420 1.208 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000923391914 644399995 /nfs/dbraw/zinc/39/99/95/644399995.db2.gz GRXAIOZNGAEZIO-AGIUHOORSA-N 1 3 228.380 1.595 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000923422882 644419684 /nfs/dbraw/zinc/41/96/84/644419684.db2.gz URXRBSIDSBZJCY-JHJVBQTASA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)CC1CCCC1 ZINC000923422882 644419689 /nfs/dbraw/zinc/41/96/89/644419689.db2.gz URXRBSIDSBZJCY-JHJVBQTASA-N 1 3 240.391 1.643 20 0 BDADHO CC[C@H](c1ccccc1)[NH+]1CCNCCNCC1 ZINC000923463954 644450067 /nfs/dbraw/zinc/45/00/67/644450067.db2.gz YCFQOMGKXZNLRB-OAHLLOKOSA-N 1 3 247.386 1.633 20 0 BDADHO CCOC(=O)[C@H](CC)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496349 644462181 /nfs/dbraw/zinc/46/21/81/644462181.db2.gz HMVDQEBVHKXWBM-WOPDTQHZSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@@H]1CN(Cc2cc(C3CC3)no2)CC[C@H]1C[NH3+] ZINC000923489403 644465794 /nfs/dbraw/zinc/46/57/94/644465794.db2.gz JNROOINFZBCKNR-PWSUYJOCSA-N 1 3 249.358 1.969 20 0 BDADHO C[C@@H]1CN(Cc2ccns2)CC[C@@H]1C[NH3+] ZINC000923492133 644468806 /nfs/dbraw/zinc/46/88/06/644468806.db2.gz WGEQKMQAHYPIBV-NXEZZACHSA-N 1 3 225.361 1.560 20 0 BDADHO Cc1c[nH]nc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923493718 644469383 /nfs/dbraw/zinc/46/93/83/644469383.db2.gz UMCLZBBCHLTLFW-QWRGUYRKSA-N 1 3 222.336 1.135 20 0 BDADHO CCc1ncc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493771 644469670 /nfs/dbraw/zinc/46/96/70/644469670.db2.gz VEKRNWSREHVWKS-MNOVXSKESA-N 1 3 237.347 1.654 20 0 BDADHO CC(C)CC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515850 644480809 /nfs/dbraw/zinc/48/08/09/644480809.db2.gz OPROINVVOLLRIH-MJBXVCDLSA-N 1 3 240.391 1.325 20 0 BDADHO CCN1CC[C@H]([NH2+]CC2(C)OCCO2)[C@@H](C)C1 ZINC000245620401 644532727 /nfs/dbraw/zinc/53/27/27/644532727.db2.gz WNTLGBRHQVUBCP-RYUDHWBXSA-N 1 3 242.363 1.069 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N)n1 ZINC000090795330 644606183 /nfs/dbraw/zinc/60/61/83/644606183.db2.gz YMNBTYAMECPSPR-NXEZZACHSA-N 1 3 235.335 1.262 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N)n1 ZINC000090795330 644606186 /nfs/dbraw/zinc/60/61/86/644606186.db2.gz YMNBTYAMECPSPR-NXEZZACHSA-N 1 3 235.335 1.262 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)[C@H]1CCCO1 ZINC000251211272 644797002 /nfs/dbraw/zinc/79/70/02/644797002.db2.gz MLUAIXUIPBFLDD-FVCCEPFGSA-N 1 3 226.364 1.674 20 0 BDADHO CC[NH2+]CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000844187838 645316223 /nfs/dbraw/zinc/31/62/23/645316223.db2.gz OXZNSHQQAQENNG-UHFFFAOYSA-N 1 3 249.358 1.605 20 0 BDADHO C(N[C@@H]1C[NH2+]CCOC1)C1CCCCCCC1 ZINC000925487499 645466826 /nfs/dbraw/zinc/46/68/26/645466826.db2.gz ZBZJMIQDONKNHM-CQSZACIVSA-N 1 3 240.391 1.925 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCCO1 ZINC000925247897 646219829 /nfs/dbraw/zinc/21/98/29/646219829.db2.gz CSIFGDIHWILSAO-QNMSZWNNSA-N 1 3 238.375 1.485 20 0 BDADHO CC[C@H](CO)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929717939 646270663 /nfs/dbraw/zinc/27/06/63/646270663.db2.gz BCZANSIRNVVVQJ-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](CO)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929764168 646293439 /nfs/dbraw/zinc/29/34/39/646293439.db2.gz QMQNRHHKAKJDDS-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@H](CO)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764168 646293442 /nfs/dbraw/zinc/29/34/42/646293442.db2.gz QMQNRHHKAKJDDS-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925482118 646295522 /nfs/dbraw/zinc/29/55/22/646295522.db2.gz LFMXJOLOYSMHDI-USZNOCQGSA-N 1 3 226.364 1.253 20 0 BDADHO CCCC[C@H](CC)CN[C@@H]1C[NH2+]CCOC1 ZINC000925500169 646303284 /nfs/dbraw/zinc/30/32/84/646303284.db2.gz AKLXZZQNNPNQKA-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@H]1CCC[NH2+][C@H]1C ZINC000925525649 646316801 /nfs/dbraw/zinc/31/68/01/646316801.db2.gz DKEXVMZYTRZCOD-IHRRRGAJSA-N 1 3 242.407 1.761 20 0 BDADHO C(CN1CCCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925531806 646319534 /nfs/dbraw/zinc/31/95/34/646319534.db2.gz AJORPXMVGWESJK-ZDUSSCGKSA-N 1 3 237.391 1.347 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925550840 646328768 /nfs/dbraw/zinc/32/87/68/646328768.db2.gz DJTQVXPLFCNYQI-VZZFWQQMSA-N 1 3 249.402 1.329 20 0 BDADHO CC[C@@](C)(O)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925609219 646358607 /nfs/dbraw/zinc/35/86/07/646358607.db2.gz QRGGMOWFICLVLB-GFQSEFKGSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@@](C)(O)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609219 646358610 /nfs/dbraw/zinc/35/86/10/646358610.db2.gz QRGGMOWFICLVLB-GFQSEFKGSA-N 1 3 240.391 1.514 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925614452 646362026 /nfs/dbraw/zinc/36/20/26/646362026.db2.gz IWDTXZHWKSNXSF-GFCCVEGCSA-N 1 3 240.391 1.659 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)[C@@H]1CCCO1 ZINC000925626289 646372851 /nfs/dbraw/zinc/37/28/51/646372851.db2.gz PJBJDEDSXMOKRK-ZDEQEGDKSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H](CO)CCC[NH2+][C@H]1CCNC12CCC2 ZINC000925630047 646374291 /nfs/dbraw/zinc/37/42/91/646374291.db2.gz PYDWSHOPJKOGHM-NEPJUHHUSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@@H](O)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925629288 646374613 /nfs/dbraw/zinc/37/46/13/646374613.db2.gz IPBKKDKOVLQIOX-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](O)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925629288 646374608 /nfs/dbraw/zinc/37/46/08/646374608.db2.gz IPBKKDKOVLQIOX-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO OCCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925656227 646393690 /nfs/dbraw/zinc/39/36/90/646393690.db2.gz JBKROEWPUYEISY-UONOGXRCSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925662007 646396666 /nfs/dbraw/zinc/39/66/66/646396666.db2.gz GAEVMCWRBPYOMN-GRYCIOLGSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925670546 646401096 /nfs/dbraw/zinc/40/10/96/646401096.db2.gz LXNGXPSMGPSITR-JHJVBQTASA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H](CCO)CC[NH2+][C@H]1CCNC12CCC2 ZINC000925677788 646406744 /nfs/dbraw/zinc/40/67/44/646406744.db2.gz AVMFAIAWKIZSFU-NEPJUHHUSA-N 1 3 226.364 1.269 20 0 BDADHO CC1(C)C[C@@H](NC/C=C\CO)C[C@@H]([NH3+])C1 ZINC000925710355 646433873 /nfs/dbraw/zinc/43/38/73/646433873.db2.gz WTQMKBNMIKBNEC-CJOPTALJSA-N 1 3 212.337 1.031 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925709843 646434280 /nfs/dbraw/zinc/43/42/80/646434280.db2.gz OSVKUIGAZXRPPU-RDBSUJKOSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](CN[C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925716437 646440380 /nfs/dbraw/zinc/44/03/80/646440380.db2.gz QQUYIGUTBCOWFR-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H](CN[C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925716435 646441504 /nfs/dbraw/zinc/44/15/04/646441504.db2.gz QQUYIGUTBCOWFR-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925718140 646441932 /nfs/dbraw/zinc/44/19/32/646441932.db2.gz HJHBZACPRGANJE-JHJVBQTASA-N 1 3 240.391 1.643 20 0 BDADHO C(C[C@@H]1CCCOC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000925720435 646445728 /nfs/dbraw/zinc/44/57/28/646445728.db2.gz HLQRHRMXTPDSJG-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO CC[C@@H](NC[C@H]1C[C@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000925735346 646457593 /nfs/dbraw/zinc/45/75/93/646457593.db2.gz DTLQLNYDLLROSL-LPWJVIDDSA-N 1 3 226.364 1.532 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773560 646472932 /nfs/dbraw/zinc/47/29/32/646472932.db2.gz DEOZPXZMRLMUES-IJLUTSLNSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CCCO1 ZINC000925775290 646476310 /nfs/dbraw/zinc/47/63/10/646476310.db2.gz PGDFWGAINMCOBV-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO CCOCCOCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000925875325 646525944 /nfs/dbraw/zinc/52/59/44/646525944.db2.gz QUSYGKUAOXXFJO-OLZOCXBDSA-N 1 3 244.379 1.017 20 0 BDADHO CCOCCOCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000925875383 646526311 /nfs/dbraw/zinc/52/63/11/646526311.db2.gz SGQUOXIEFSHSKY-STQMWFEESA-N 1 3 244.379 1.017 20 0 BDADHO C[C@H](NC1([C@H]2CCCCO2)CC1)[C@@H]1CC[NH2+]C1 ZINC000925893204 646534954 /nfs/dbraw/zinc/53/49/54/646534954.db2.gz MZABUVHNUMVDDI-YNEHKIRRSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1COC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000926337988 646618966 /nfs/dbraw/zinc/61/89/66/646618966.db2.gz UUPKGQZVAVAIHC-GFJIZPEISA-N 1 3 238.375 1.628 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(F)F ZINC000926496044 646662215 /nfs/dbraw/zinc/66/22/15/646662215.db2.gz YQZVRDORRRGUTM-ZACCUICWSA-N 1 3 232.318 1.962 20 0 BDADHO Cc1cn(C)nc1CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723886003 711543355 /nfs/dbraw/zinc/54/33/55/711543355.db2.gz FSEHRANIZNZKFC-ZYHUDNBSSA-N 1 3 236.363 1.145 20 0 BDADHO Cc1nnsc1CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907378 711544868 /nfs/dbraw/zinc/54/48/68/711544868.db2.gz AUPCSSUBNFRZGT-PSASIEDQSA-N 1 3 240.376 1.263 20 0 BDADHO COCC(C)(C)C[NH2+]CC[C@@H](C)N(C)C ZINC000700607526 712001277 /nfs/dbraw/zinc/00/12/77/712001277.db2.gz RNHDIBQZEKUEIR-LLVKDONJSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(CCCC1CC1)C2 ZINC000702102998 712039152 /nfs/dbraw/zinc/03/91/52/712039152.db2.gz ADRNRFFLFAOGLK-QWHCGFSZSA-N 1 3 208.349 1.718 20 0 BDADHO CC(C)[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000707208942 712166209 /nfs/dbraw/zinc/16/62/09/712166209.db2.gz QZJBJUJMUNHTTJ-AGIUHOORSA-N 1 3 242.432 1.915 20 0 BDADHO CC1(C)CO[C@@H](CN2CC[C@H](C[NH3+])C2)C1 ZINC000708341330 712189051 /nfs/dbraw/zinc/18/90/51/712189051.db2.gz RTXCRTWXVFGUII-GHMZBOCLSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](C(=O)NC1CC1)N(C)CCCCCC[NH3+] ZINC000710752257 712256586 /nfs/dbraw/zinc/25/65/86/712256586.db2.gz XZUUNQKKVPHACN-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@]1(CN2CCC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711454822 712303756 /nfs/dbraw/zinc/30/37/56/712303756.db2.gz NKDZCOTZKJSTFP-RYUDHWBXSA-N 1 3 214.328 1.668 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](CF)C1 ZINC000711458851 712304662 /nfs/dbraw/zinc/30/46/62/712304662.db2.gz YZDSOALUVWZOMZ-QWRGUYRKSA-N 1 3 202.317 1.651 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@H](CF)C1 ZINC000711458851 712304663 /nfs/dbraw/zinc/30/46/63/712304663.db2.gz YZDSOALUVWZOMZ-QWRGUYRKSA-N 1 3 202.317 1.651 20 0 BDADHO CCc1ncc(CN2CC[C@@H](CC[NH3+])C2)o1 ZINC000923480163 712334692 /nfs/dbraw/zinc/33/46/92/712334692.db2.gz WAFSBGLCEGXOLM-SNVBAGLBSA-N 1 3 223.320 1.408 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712437945 712430117 /nfs/dbraw/zinc/43/01/17/712430117.db2.gz MASLIUIWJNKMAR-NEPJUHHUSA-N 1 3 224.348 1.511 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712437945 712430119 /nfs/dbraw/zinc/43/01/19/712430119.db2.gz MASLIUIWJNKMAR-NEPJUHHUSA-N 1 3 224.348 1.511 20 0 BDADHO C[C@@H]1OC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)[C@@H]1C ZINC000715545842 712527131 /nfs/dbraw/zinc/52/71/31/712527131.db2.gz ZBUPGNDBBNZMEQ-ITGHMWBKSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H]1C ZINC000715545842 712527132 /nfs/dbraw/zinc/52/71/32/712527132.db2.gz ZBUPGNDBBNZMEQ-ITGHMWBKSA-N 1 3 240.391 1.872 20 0 BDADHO CCC[C@@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145228 712827815 /nfs/dbraw/zinc/82/78/15/712827815.db2.gz WBHBHZYZMQHVDI-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720294611 712830141 /nfs/dbraw/zinc/83/01/41/712830141.db2.gz LLWWWZIDGYHMLH-NSHDSACASA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CCCCCC[NH3+] ZINC000380422780 712900623 /nfs/dbraw/zinc/90/06/23/712900623.db2.gz DBSHMNQOHITQCW-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1nccs1 ZINC000722521408 710716133 /nfs/dbraw/zinc/71/61/33/710716133.db2.gz OXBQQVSWEMKLBN-NXEZZACHSA-N 1 3 225.361 1.478 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCSC(C)(C)C1 ZINC000133354626 710970545 /nfs/dbraw/zinc/97/05/45/710970545.db2.gz KQKSBUPIKOEMCE-MNOVXSKESA-N 1 3 228.405 1.669 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CCC[C@@H]1OC ZINC000380700234 712902671 /nfs/dbraw/zinc/90/26/71/712902671.db2.gz KTGXJKROVJREHJ-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000380700234 712902672 /nfs/dbraw/zinc/90/26/72/712902672.db2.gz KTGXJKROVJREHJ-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO C(C1CC1)N1CCC([NH2+]C2CSC2)CC1 ZINC000389593294 711082064 /nfs/dbraw/zinc/08/20/64/711082064.db2.gz NKTLPEDCORNBIS-UHFFFAOYSA-N 1 3 226.389 1.566 20 0 BDADHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCC1 ZINC000392838463 711153303 /nfs/dbraw/zinc/15/33/03/711153303.db2.gz PAMKMLHUDATVDK-KOSSCTIKSA-N 1 3 220.360 1.761 20 0 BDADHO CCOCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396579217 711357255 /nfs/dbraw/zinc/35/72/55/711357255.db2.gz ONUPWWFJCMVXKD-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCn1cccn1 ZINC000396732379 711367992 /nfs/dbraw/zinc/36/79/92/711367992.db2.gz ZJQIUIFNHDEJAT-NEPJUHHUSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@H]([NH3+])CC(F)F)O1 ZINC000398124174 711402083 /nfs/dbraw/zinc/40/20/83/711402083.db2.gz SCRGQOYOPGWQAR-IWSPIJDZSA-N 1 3 222.279 1.126 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@@H]([NH3+])CC(F)F)O1 ZINC000398124172 711402574 /nfs/dbraw/zinc/40/25/74/711402574.db2.gz SCRGQOYOPGWQAR-HRDYMLBCSA-N 1 3 222.279 1.126 20 0 BDADHO CCOCC(C)(C)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396668657 711364066 /nfs/dbraw/zinc/36/40/66/711364066.db2.gz PTYNHDWCXHOAJJ-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCC(C)(C)CO ZINC000396699229 711365066 /nfs/dbraw/zinc/36/50/66/711365066.db2.gz KNZPIGFDCLPZOV-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO Cc1cc(CN2CC[C@H](CC[NH3+])C2)on1 ZINC000723691784 711534212 /nfs/dbraw/zinc/53/42/12/711534212.db2.gz URUYQBNLXSKNHT-JTQLQIEISA-N 1 3 209.293 1.154 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723901035 711544341 /nfs/dbraw/zinc/54/43/41/711544341.db2.gz MGVCNRYOYOBETI-ZYHUDNBSSA-N 1 3 249.358 1.512 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723901035 711544338 /nfs/dbraw/zinc/54/43/38/711544338.db2.gz MGVCNRYOYOBETI-ZYHUDNBSSA-N 1 3 249.358 1.512 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)C1CNC1)[C@@H]1CCCOC1 ZINC000724013343 711555783 /nfs/dbraw/zinc/55/57/83/711555783.db2.gz QETODOALOSGDEU-LOWVWBTDSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000382219632 711614114 /nfs/dbraw/zinc/61/41/14/711614114.db2.gz MRIVEJOQHHJSEQ-MHBZJKCTSA-N 1 3 220.360 1.619 20 0 BDADHO CC(F)(F)CCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000718573823 711661187 /nfs/dbraw/zinc/66/11/87/711661187.db2.gz XJBIHLYXXQYNMH-WDEREUQCSA-N 1 3 232.318 1.963 20 0 BDADHO C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CC(F)F ZINC000700029618 711983229 /nfs/dbraw/zinc/98/32/29/711983229.db2.gz NSPROQFMMPIUBT-TZSFNEBQSA-N 1 3 244.329 1.864 20 0 BDADHO CCN(C[C@@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700383385 711991290 /nfs/dbraw/zinc/99/12/90/711991290.db2.gz IXRPVFBVGBJIOQ-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(CC[C@@H]1CCCO1)C2 ZINC000702053736 712037651 /nfs/dbraw/zinc/03/76/51/712037651.db2.gz ONVNHZIVFDLGBX-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1CCC(F)(F)C1)C2 ZINC000702096650 712038923 /nfs/dbraw/zinc/03/89/23/712038923.db2.gz AYCDXHXUNAZIAC-SDDRHHMPSA-N 1 3 244.329 1.963 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1CCCOC1)C2 ZINC000702615866 712056955 /nfs/dbraw/zinc/05/69/55/712056955.db2.gz MONBLOOXORLZIM-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCC(C)(O)CC1 ZINC000703603704 712081845 /nfs/dbraw/zinc/08/18/45/712081845.db2.gz FLWAUWVMWVNPBE-CQLXCSJHSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCC(C)(O)CC1 ZINC000703603707 712081848 /nfs/dbraw/zinc/08/18/48/712081848.db2.gz FLWAUWVMWVNPBE-IGJPJIBNSA-N 1 3 226.364 1.410 20 0 BDADHO CN[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681289 712215177 /nfs/dbraw/zinc/21/51/77/712215177.db2.gz BBOUTSAKQSOYBG-RYUDHWBXSA-N 1 3 240.391 1.874 20 0 BDADHO CN[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681289 712215179 /nfs/dbraw/zinc/21/51/79/712215179.db2.gz BBOUTSAKQSOYBG-RYUDHWBXSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC(C)(C)OC2(C)C)C[C@H]1[NH3+] ZINC000709695123 712216037 /nfs/dbraw/zinc/21/60/37/712216037.db2.gz BYHNRJXVVNKKOP-IJLUTSLNSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCCOC1)[NH2+]2 ZINC000709447043 712222117 /nfs/dbraw/zinc/22/21/17/712222117.db2.gz DYCPQVFOXOROTN-SJHCENCUSA-N 1 3 224.348 1.284 20 0 BDADHO Cc1cnc(CN(C)CCCCCC[NH3+])cn1 ZINC000710806144 712257495 /nfs/dbraw/zinc/25/74/95/712257495.db2.gz YPLOFQKGIWCMLO-UHFFFAOYSA-N 1 3 236.363 1.736 20 0 BDADHO CC[C@@H]1COC[C@@H]1NC[C@H](C)C[NH+](C)C ZINC000711075135 712279122 /nfs/dbraw/zinc/27/91/22/712279122.db2.gz OZTHGTJNVVOIPF-TUAOUCFPSA-N 1 3 214.353 1.199 20 0 BDADHO CC[C@@H]1COC[C@H]1[NH2+]C[C@@H]1CCN(CC)C1 ZINC000711106659 712280938 /nfs/dbraw/zinc/28/09/38/712280938.db2.gz GULXXJZBNJRJTB-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO FC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000711446219 712300572 /nfs/dbraw/zinc/30/05/72/712300572.db2.gz WCXUGARCEQDYKP-RYUDHWBXSA-N 1 3 214.328 1.668 20 0 BDADHO CC[C@H]1CN(CCOC2CC2)CC[C@H]1[NH3+] ZINC000711731109 712319813 /nfs/dbraw/zinc/31/98/13/712319813.db2.gz MAERFDKLNGBMDP-CMPLNLGQSA-N 1 3 212.337 1.225 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712581727 712433455 /nfs/dbraw/zinc/43/34/55/712433455.db2.gz NSJVOPDBIAWRDN-BFHYXJOUSA-N 1 3 237.391 1.297 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712581727 712433457 /nfs/dbraw/zinc/43/34/57/712433457.db2.gz NSJVOPDBIAWRDN-BFHYXJOUSA-N 1 3 237.391 1.297 20 0 BDADHO C(C[N@@H+]1CCCNCC1)[C@@H]1C[C@H]1C1CC1 ZINC000712666955 712439529 /nfs/dbraw/zinc/43/95/29/712439529.db2.gz JYHKVVBJERJEPC-OLZOCXBDSA-N 1 3 208.349 1.718 20 0 BDADHO C(C[N@H+]1CCCNCC1)[C@@H]1C[C@H]1C1CC1 ZINC000712666955 712439530 /nfs/dbraw/zinc/43/95/30/712439530.db2.gz JYHKVVBJERJEPC-OLZOCXBDSA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000716612299 712567601 /nfs/dbraw/zinc/56/76/01/712567601.db2.gz YXGGXGWZNUCSCB-YCHQMCSQSA-N 1 3 246.398 1.865 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CCN(C)[C@H]2C)CC1 ZINC000719649013 712820754 /nfs/dbraw/zinc/82/07/54/712820754.db2.gz SDOPBEGBXYCUBE-JSGCOSHPSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C1CNC1 ZINC000720929728 712879647 /nfs/dbraw/zinc/87/96/47/712879647.db2.gz XVBFVZODBQTWAN-MRVPVSSYSA-N 1 3 218.291 1.619 20 0 BDADHO CC(C)CN1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000055085570 719328789 /nfs/dbraw/zinc/32/87/89/719328789.db2.gz NWHIYOLPNQJQMD-UHFFFAOYSA-N 1 3 234.347 1.442 20 0 BDADHO [NH3+]CC[C@H]1CCN(Cc2cncs2)C1 ZINC000690739031 958857660 /nfs/dbraw/zinc/85/76/60/958857660.db2.gz PNJACEKVABQERE-VIFPVBQESA-N 1 3 211.334 1.314 20 0 BDADHO COC1CCC([N@@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC000708876493 960005380 /nfs/dbraw/zinc/00/53/80/960005380.db2.gz XCTUKBBTYRTNAV-ZFDZMSFRSA-N 1 3 226.364 1.471 20 0 BDADHO COC1CCC([N@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC000708876493 960005401 /nfs/dbraw/zinc/00/54/01/960005401.db2.gz XCTUKBBTYRTNAV-ZFDZMSFRSA-N 1 3 226.364 1.471 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCCOCC1 ZINC000710454343 962382364 /nfs/dbraw/zinc/38/23/64/962382364.db2.gz LTUJFPWQXNYCQW-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO C[C@@H](CCN[C@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857869 964569712 /nfs/dbraw/zinc/56/97/12/964569712.db2.gz KWCLGVUINOGSQR-DCAQKATOSA-N 1 3 200.326 1.094 20 0 BDADHO CC[C@@H](COC)NCC[C@H](C)[NH+](C)C ZINC000697871882 964598357 /nfs/dbraw/zinc/59/83/57/964598357.db2.gz PNEYPHORDIZWCQ-QWRGUYRKSA-N 1 3 202.342 1.341 20 0 BDADHO C[C@@H](CC[NH2+]C[C@@H]1CCSC1)N(C)C ZINC000697873161 964599391 /nfs/dbraw/zinc/59/93/91/964599391.db2.gz UCHPWALQMLUFQY-QWRGUYRKSA-N 1 3 216.394 1.669 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N(C)C)CCO1 ZINC000697911256 964676851 /nfs/dbraw/zinc/67/68/51/964676851.db2.gz YQEDWPQXWZFPOU-RWMBFGLXSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168465166 965802922 /nfs/dbraw/zinc/80/29/22/965802922.db2.gz PKSWMNCVIMNELF-MNOVXSKESA-N 1 3 224.323 1.941 20 0 BDADHO Cc1c[nH]c(CN2C[C@H](C)[C@H](C[NH3+])C2)c1C ZINC001205141206 967389001 /nfs/dbraw/zinc/38/90/01/967389001.db2.gz YKRPDZFODAMQCN-CMPLNLGQSA-N 1 3 221.348 1.658 20 0 BDADHO CC1(C)OC[C@H](CN2CCC[C@@](C)([NH3+])CC2)O1 ZINC001205257143 967446227 /nfs/dbraw/zinc/44/62/27/967446227.db2.gz SPEGNEQWEGMLSC-WCQYABFASA-N 1 3 242.363 1.341 20 0 BDADHO CC(C)[N@H+](CCCCO)[C@@H]1CCCNCC1 ZINC001206581558 968401017 /nfs/dbraw/zinc/40/10/17/968401017.db2.gz KFAZPPOFHPRLOF-CYBMUJFWSA-N 1 3 228.380 1.611 20 0 BDADHO CC(C)[N@@H+](CCCCO)[C@@H]1CCCNCC1 ZINC001206581558 968401020 /nfs/dbraw/zinc/40/10/20/968401020.db2.gz KFAZPPOFHPRLOF-CYBMUJFWSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@H](O)C[NH2+]CC[C@H]1CCCN1C ZINC001252113365 968600108 /nfs/dbraw/zinc/60/01/08/968600108.db2.gz YPWFWTUZZZVAHP-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@H](O)CNCC[C@H]1CCC[N@@H+]1C ZINC001252113365 968600115 /nfs/dbraw/zinc/60/01/15/968600115.db2.gz YPWFWTUZZZVAHP-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@H](O)CNCC[C@H]1CCC[N@H+]1C ZINC001252113365 968600119 /nfs/dbraw/zinc/60/01/19/968600119.db2.gz YPWFWTUZZZVAHP-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO CN(C)CC(C)(C)C[N@@H+](C)C1CCN(C)CC1 ZINC001207274996 968707091 /nfs/dbraw/zinc/70/70/91/968707091.db2.gz IFAORCIFXOXSOY-UHFFFAOYSA-N 1 3 241.423 1.600 20 0 BDADHO C[C@H]1C[N@H+](CC2CCN(C)CC2)CCCC1=O ZINC001207391620 968747318 /nfs/dbraw/zinc/74/73/18/968747318.db2.gz JGJNRZYVVFAKMB-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1C[N@@H+](CC2CCN(C)CC2)CCCC1=O ZINC001207391620 968747329 /nfs/dbraw/zinc/74/73/29/968747329.db2.gz JGJNRZYVVFAKMB-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1CC(=O)CCN1CC1CC[NH2+]CC1 ZINC001207436580 968768209 /nfs/dbraw/zinc/76/82/09/968768209.db2.gz OQEBOHSPBVZYRZ-JTQLQIEISA-N 1 3 210.321 1.039 20 0 BDADHO C[C@@H]1CC(=O)CCN1CC1CC[NH2+]CC1 ZINC001207436581 968769830 /nfs/dbraw/zinc/76/98/30/968769830.db2.gz OQEBOHSPBVZYRZ-SNVBAGLBSA-N 1 3 210.321 1.039 20 0 BDADHO C[NH+]1CCC(CCN2CCCC23COC3)CC1 ZINC001207484909 968798378 /nfs/dbraw/zinc/79/83/78/968798378.db2.gz OLUCNIULUVJBIE-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CCN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208104323 969002784 /nfs/dbraw/zinc/00/27/84/969002784.db2.gz LPIDOUQPCAGLAY-UHFFFAOYSA-N 1 3 239.407 1.356 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185359 969100890 /nfs/dbraw/zinc/10/08/90/969100890.db2.gz FXAADIBSANZMMY-WUHRBBMRSA-N 1 3 244.354 1.121 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185359 969100896 /nfs/dbraw/zinc/10/08/96/969100896.db2.gz FXAADIBSANZMMY-WUHRBBMRSA-N 1 3 244.354 1.121 20 0 BDADHO C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384097 969146282 /nfs/dbraw/zinc/14/62/82/969146282.db2.gz PATJJRWAFVTTBS-AVGNSLFASA-N 1 3 242.407 1.904 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2CCC(F)CC2)C1 ZINC001208604497 969157045 /nfs/dbraw/zinc/15/70/45/969157045.db2.gz PIDXYPMOBBRYKF-LLVKDONJSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2CCC(F)CC2)C1 ZINC001208604497 969157050 /nfs/dbraw/zinc/15/70/50/969157050.db2.gz PIDXYPMOBBRYKF-LLVKDONJSA-N 1 3 214.328 1.762 20 0 BDADHO COC(C)(C)CCN(C)CCC[NH+](C)C ZINC001209404471 969473064 /nfs/dbraw/zinc/47/30/64/969473064.db2.gz ZULGUIOVIRNWSK-UHFFFAOYSA-N 1 3 216.369 1.685 20 0 BDADHO CSCCN(C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254528763 969720586 /nfs/dbraw/zinc/72/05/86/969720586.db2.gz AEBBVZWFUBOMIW-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CSCCN(C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254528763 969720596 /nfs/dbraw/zinc/72/05/96/969720596.db2.gz AEBBVZWFUBOMIW-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CCN1CCN([C@@H]2CCC[N@H+](C)CC2)C[C@H]1C ZINC001254531067 969725884 /nfs/dbraw/zinc/72/58/84/969725884.db2.gz CGUSYSOIRLBPEV-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN([C@@H]2CCC[N@@H+](C)CC2)C[C@H]1C ZINC001254531067 969725891 /nfs/dbraw/zinc/72/58/91/969725891.db2.gz CGUSYSOIRLBPEV-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255292672 970055041 /nfs/dbraw/zinc/05/50/41/970055041.db2.gz HULZVRPQVCRDOR-FRRDWIJNSA-N 1 3 240.416 1.766 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255292672 970055050 /nfs/dbraw/zinc/05/50/50/970055050.db2.gz HULZVRPQVCRDOR-FRRDWIJNSA-N 1 3 240.416 1.766 20 0 BDADHO CCCCN1CCN([C@@H]2CC[N@H+](C)C2)CC1 ZINC001255436748 970164283 /nfs/dbraw/zinc/16/42/83/970164283.db2.gz ULXQOCUBDQOYNL-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO CCCCN1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255436748 970164287 /nfs/dbraw/zinc/16/42/87/970164287.db2.gz ULXQOCUBDQOYNL-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO COC[C@@H](C)NC1CC[NH+](CC2CCC2)CC1 ZINC001255562619 970346790 /nfs/dbraw/zinc/34/67/90/970346790.db2.gz DUNAMKWFZQJNRD-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)COC)C[C@@H]2C1 ZINC001255582931 970387159 /nfs/dbraw/zinc/38/71/59/970387159.db2.gz FCMQKXMUKNAGKQ-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2C1 ZINC001255582931 970387167 /nfs/dbraw/zinc/38/71/67/970387167.db2.gz FCMQKXMUKNAGKQ-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCC1(O)CC1 ZINC001255941689 970571957 /nfs/dbraw/zinc/57/19/57/970571957.db2.gz XCGYQVARORYCFR-NSHDSACASA-N 1 3 214.353 1.221 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC1(O)CC1 ZINC001255941689 970571964 /nfs/dbraw/zinc/57/19/64/970571964.db2.gz XCGYQVARORYCFR-NSHDSACASA-N 1 3 214.353 1.221 20 0 BDADHO CC[NH+](CC)CC[C@H](C)n1ccc(CN)n1 ZINC001255943660 970576847 /nfs/dbraw/zinc/57/68/47/970576847.db2.gz PQULGDIYKJVXSH-NSHDSACASA-N 1 3 224.352 1.635 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CCC[C@H](O)CC1 ZINC001255956031 970593060 /nfs/dbraw/zinc/59/30/60/970593060.db2.gz GBFKHZTWRLHYJE-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO C[NH+](C)[C@@H]1C[C@@H](NC[C@H](O)C2CC2)C1(C)C ZINC001335469588 977080508 /nfs/dbraw/zinc/08/05/08/977080508.db2.gz NSQQIWKXBVMAFR-QJPTWQEYSA-N 1 3 226.364 1.076 20 0 BDADHO [NH3+]CCCCN1CCc2ncc(Cl)cc2C1 ZINC001236158519 979413051 /nfs/dbraw/zinc/41/30/51/979413051.db2.gz QJFXDJXUJUOWAX-UHFFFAOYSA-N 1 3 239.750 1.832 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H](COC)C1CCCC1 ZINC001345482163 980617371 /nfs/dbraw/zinc/61/73/71/980617371.db2.gz KSPPGHHKVNMBKQ-YPMHNXCESA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001575470408 984127045 /nfs/dbraw/zinc/12/70/45/984127045.db2.gz AAOOBKZMNKPUCF-GMTAPVOTSA-N 1 3 214.353 1.109 20 0 BDADHO CC[C@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC001246541477 972563392 /nfs/dbraw/zinc/56/33/92/972563392.db2.gz LSBPDULUYBABJV-RNJOBUHISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC001246541477 972563408 /nfs/dbraw/zinc/56/34/08/972563408.db2.gz LSBPDULUYBABJV-RNJOBUHISA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875147 973269909 /nfs/dbraw/zinc/26/99/09/973269909.db2.gz XQPBCQDUYOSPGS-KZZRWZIVSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875147 973269923 /nfs/dbraw/zinc/26/99/23/973269923.db2.gz XQPBCQDUYOSPGS-KZZRWZIVSA-N 1 3 212.312 1.274 20 0 BDADHO CN1CCC12CN(CCC1CC[NH+](C)CC1)C2 ZINC001276725550 970801162 /nfs/dbraw/zinc/80/11/62/970801162.db2.gz AJBAUXGJIZAZSS-UHFFFAOYSA-N 1 3 237.391 1.108 20 0 BDADHO [NH3+]C1CC(N[C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256792402 970986880 /nfs/dbraw/zinc/98/68/80/970986880.db2.gz JVVVHQPZGJWMQZ-JYVUQVBGSA-N 1 3 246.354 1.986 20 0 BDADHO NC1CC([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256792402 970986891 /nfs/dbraw/zinc/98/68/91/970986891.db2.gz JVVVHQPZGJWMQZ-JYVUQVBGSA-N 1 3 246.354 1.986 20 0 BDADHO CCc1cc(-n2cc(C[NH3+])cn2)ccn1 ZINC000307785203 971177531 /nfs/dbraw/zinc/17/75/31/971177531.db2.gz LXXKSXYNTTYIOJ-UHFFFAOYSA-N 1 3 202.261 1.288 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405218446 971207088 /nfs/dbraw/zinc/20/70/88/971207088.db2.gz AEUIBLAVLUQPBG-UTUOFQBUSA-N 1 3 224.348 1.271 20 0 BDADHO CO[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)C1CC1 ZINC000405218446 971207098 /nfs/dbraw/zinc/20/70/98/971207098.db2.gz AEUIBLAVLUQPBG-UTUOFQBUSA-N 1 3 224.348 1.271 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC=CO2)C12CCC2 ZINC000405304297 971232232 /nfs/dbraw/zinc/23/22/32/971232232.db2.gz KARTVPBTSNJGLQ-TUAOUCFPSA-N 1 3 222.332 1.539 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCC=CO2)C12CCC2 ZINC000405304297 971232241 /nfs/dbraw/zinc/23/22/41/971232241.db2.gz KARTVPBTSNJGLQ-TUAOUCFPSA-N 1 3 222.332 1.539 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCSC2)C12CCC2 ZINC000405329053 971236559 /nfs/dbraw/zinc/23/65/59/971236559.db2.gz VVGDBELJSZAWST-IVZWLZJFSA-N 1 3 212.362 1.351 20 0 BDADHO CC[C@H](O)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405362844 971241092 /nfs/dbraw/zinc/24/10/92/971241092.db2.gz VBMRQNXIBBUYNI-HBNTYKKESA-N 1 3 212.337 1.007 20 0 BDADHO CC[C@H](O)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405362840 971241241 /nfs/dbraw/zinc/24/12/41/971241241.db2.gz VBMRQNXIBBUYNI-DCAQKATOSA-N 1 3 212.337 1.007 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405361568 971242926 /nfs/dbraw/zinc/24/29/26/971242926.db2.gz ULVUEDWPZHDPRA-DCAQKATOSA-N 1 3 212.337 1.007 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405388004 971247022 /nfs/dbraw/zinc/24/70/22/971247022.db2.gz FPOXILWSTAIDBR-GHMZBOCLSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@@H]1OC[C@H](NCCC[NH+]2CCCCC2)[C@@H]1C ZINC000405551412 971269858 /nfs/dbraw/zinc/26/98/58/971269858.db2.gz SFKZOHJLFBNUFO-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000405562668 971276241 /nfs/dbraw/zinc/27/62/41/971276241.db2.gz ARABXHXDVHKTKV-BJJPWKGXSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1C ZINC000405562668 971276245 /nfs/dbraw/zinc/27/62/45/971276245.db2.gz ARABXHXDVHKTKV-BJJPWKGXSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@H](c1ccccn1)N1CC[C@@H](OCCC[NH3+])C1 ZINC001217908586 971509656 /nfs/dbraw/zinc/50/96/56/971509656.db2.gz JWSBSJMJYJQGOE-CHWSQXEVSA-N 1 3 249.358 1.582 20 0 BDADHO F[C@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1CNC2 ZINC001217958617 971544611 /nfs/dbraw/zinc/54/46/11/971544611.db2.gz FYVXJHZNRVSHPQ-AAEUAGOBSA-N 1 3 236.290 1.369 20 0 BDADHO CC(C)CN1CCC([NH+]2CC=CC2)CC1 ZINC001258011075 971552969 /nfs/dbraw/zinc/55/29/69/971552969.db2.gz IFWJQTSVEGYVMG-UHFFFAOYSA-N 1 3 208.349 1.979 20 0 BDADHO CC(C)CN1CCC([NH2+]CCC2COC2)CC1 ZINC001258003355 971555249 /nfs/dbraw/zinc/55/52/49/971555249.db2.gz HBFOOWAHUOKACO-UHFFFAOYSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1C[C@H](Oc2cccc3c2CNC3)CC[NH2+]1 ZINC001218059460 971595656 /nfs/dbraw/zinc/59/56/56/971595656.db2.gz JLAOAPQMFRQSHQ-ZYHUDNBSSA-N 1 3 232.327 1.809 20 0 BDADHO c1cc2c(c(O[C@@H]3CC[C@@]34CC[NH2+]C4)c1)CNC2 ZINC001218119662 971600875 /nfs/dbraw/zinc/60/08/75/971600875.db2.gz RJBDTFAIJDJTCT-CABCVRRESA-N 1 3 244.338 1.811 20 0 BDADHO CN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1(C)C ZINC000216750371 971646874 /nfs/dbraw/zinc/64/68/74/971646874.db2.gz HHWITQUOWGMGAY-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO c1cc2c(c(O[C@H]3C=CC[NH2+]C3)c1)CNC2 ZINC001218334279 971714958 /nfs/dbraw/zinc/71/49/58/971714958.db2.gz NKGWGWIBXBVQIP-NSHDSACASA-N 1 3 216.284 1.197 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224448 974459892 /nfs/dbraw/zinc/45/98/92/974459892.db2.gz PUHMMQXRPVFUDI-YEJSDXFRSA-N 1 3 212.337 1.223 20 0 BDADHO CO[C@@H]1CCC[C@@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246539277 972539749 /nfs/dbraw/zinc/53/97/49/972539749.db2.gz GTKFGRFGRNNATL-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@@H]1CCC[C@@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246539277 972539781 /nfs/dbraw/zinc/53/97/81/972539781.db2.gz GTKFGRFGRNNATL-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2C ZINC001246538225 972533430 /nfs/dbraw/zinc/53/34/30/972533430.db2.gz NBVBBPXALHFJMR-VJBQPNPTSA-N 1 3 237.391 1.423 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1C1C[C@H]2CC[C@@H](C1)N2C ZINC001246538225 972533444 /nfs/dbraw/zinc/53/34/44/972533444.db2.gz NBVBBPXALHFJMR-VJBQPNPTSA-N 1 3 237.391 1.423 20 0 BDADHO Cc1cc(C)c(NC(=O)[C@H](N)CCC[NH3+])cc1C ZINC001219007151 971973125 /nfs/dbraw/zinc/97/31/25/971973125.db2.gz JPSXUYVUQDVUOR-GFCCVEGCSA-N 1 3 249.358 1.617 20 0 BDADHO C[C@H]1c2ccc(N[C@@H](N)CCC[NH3+])cc2NC1=O ZINC001170899416 972061463 /nfs/dbraw/zinc/06/14/63/972061463.db2.gz JWFAOFDCZGPFJF-QPUJVOFHSA-N 1 3 248.330 1.178 20 0 BDADHO Cc1ccc(N)cc1N[C@@H](N)CCC[NH3+] ZINC001170900854 972068673 /nfs/dbraw/zinc/06/86/73/972068673.db2.gz YRHGLJXGGSSCAN-LLVKDONJSA-N 1 3 208.309 1.013 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)CCO2 ZINC001170900061 972063732 /nfs/dbraw/zinc/06/37/32/972063732.db2.gz ORNMQWIPOGWZTA-GFCCVEGCSA-N 1 3 221.304 1.057 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)CCC2 ZINC001170899729 972063992 /nfs/dbraw/zinc/06/39/92/972063992.db2.gz LYPSXKUZDPHXAV-CYBMUJFWSA-N 1 3 219.332 1.611 20 0 BDADHO COc1ccc(N[C@@H](N)CCC[NH3+])c(C)c1 ZINC001170899741 972066009 /nfs/dbraw/zinc/06/60/09/972066009.db2.gz MCKWINKTOMGRKV-GFCCVEGCSA-N 1 3 223.320 1.439 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)CCOC2 ZINC001170900380 972066166 /nfs/dbraw/zinc/06/61/66/972066166.db2.gz SXSJPGCCZUUYNR-ZDUSSCGKSA-N 1 3 235.331 1.195 20 0 BDADHO Cc1cc(N[C@H](N)CCC[NH3+])ccc1N ZINC001170901002 972067325 /nfs/dbraw/zinc/06/73/25/972067325.db2.gz SUEMTVPWFGLMRG-NSHDSACASA-N 1 3 208.309 1.013 20 0 BDADHO C[C@H]([NH3+])CCNC[C@H](O)c1ccccc1 ZINC001245990771 972112033 /nfs/dbraw/zinc/11/20/33/972112033.db2.gz AOMIJOVFCUQXMW-JQWIXIFHSA-N 1 3 208.305 1.047 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246089859 972143967 /nfs/dbraw/zinc/14/39/67/972143967.db2.gz CAHRANNIXDARLX-IRCOFANPSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)CCN1 ZINC001246090501 972144341 /nfs/dbraw/zinc/14/43/41/972144341.db2.gz YBQVRBWLHOAEFF-YFKTTZPYSA-N 1 3 214.328 1.997 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246108603 972173051 /nfs/dbraw/zinc/17/30/51/972173051.db2.gz CNXWMXYSVDHHTH-MJBXVCDLSA-N 1 3 247.386 1.848 20 0 BDADHO COc1cccc(CCN[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246119237 972183237 /nfs/dbraw/zinc/18/32/37/972183237.db2.gz JADBSJGXWNDONT-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]1CCC[NH2+][C@@H]1C ZINC001246115373 972183301 /nfs/dbraw/zinc/18/33/01/972183301.db2.gz YPYJWTRUUDOVNE-MCIONIFRSA-N 1 3 247.386 1.990 20 0 BDADHO COc1cccc(CCN[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246119268 972183934 /nfs/dbraw/zinc/18/39/34/972183934.db2.gz JADBSJGXWNDONT-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO COCC(C)(C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246177272 972207398 /nfs/dbraw/zinc/20/73/98/972207398.db2.gz IBJSMGONHBTQRY-UWVGGRQHSA-N 1 3 200.326 1.142 20 0 BDADHO COCC(C)(C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246177272 972207404 /nfs/dbraw/zinc/20/74/04/972207404.db2.gz IBJSMGONHBTQRY-UWVGGRQHSA-N 1 3 200.326 1.142 20 0 BDADHO O[C@@H](CCNC1CC[NH2+]CC1)c1ccccc1 ZINC001246213424 972219533 /nfs/dbraw/zinc/21/95/33/972219533.db2.gz UYQRXJAYOSNBTR-AWEZNQCLSA-N 1 3 234.343 1.452 20 0 BDADHO C[C@H](CCCC(C)(C)O)[NH2+]C1CCNCC1 ZINC001246229016 972232920 /nfs/dbraw/zinc/23/29/20/972232920.db2.gz HWXSLQDELSQOEZ-LLVKDONJSA-N 1 3 228.380 1.658 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CCOCC23CCC3)C1 ZINC001208613129 957099803 /nfs/dbraw/zinc/09/98/03/957099803.db2.gz PQZXYJXMVLZAAY-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CCOCC23CCC3)C1 ZINC001208613129 957099812 /nfs/dbraw/zinc/09/98/12/957099812.db2.gz PQZXYJXMVLZAAY-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278974 972253014 /nfs/dbraw/zinc/25/30/14/972253014.db2.gz COYPDEQGTCYBIX-XBFCOCLRSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCCCC2)CCN1 ZINC001246278974 972253019 /nfs/dbraw/zinc/25/30/19/972253019.db2.gz COYPDEQGTCYBIX-XBFCOCLRSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246445444 972314111 /nfs/dbraw/zinc/31/41/11/972314111.db2.gz OHLLIHQZAFXKRY-CABCVRRESA-N 1 3 242.366 1.804 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@]2(C)CCCN(C)C2)C[NH2+]1 ZINC001246464689 972338911 /nfs/dbraw/zinc/33/89/11/972338911.db2.gz SNIAJACDFCIFSS-JHJVBQTASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@@H]2CCCCN2C)C[NH2+]1 ZINC000399008861 958486421 /nfs/dbraw/zinc/48/64/21/958486421.db2.gz BJEIVOYMMXXVRX-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1nccs1 ZINC000693546430 958757616 /nfs/dbraw/zinc/75/76/16/958757616.db2.gz OSIMDJARZISEPE-CIUDSAMLSA-N 1 3 211.334 1.531 20 0 BDADHO COC1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207276045 958847086 /nfs/dbraw/zinc/84/70/86/958847086.db2.gz TVDPIKBPRSNLGK-UHFFFAOYSA-N 1 3 228.380 1.685 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCCC2)C12CCC2 ZINC000405496698 959451285 /nfs/dbraw/zinc/45/12/85/959451285.db2.gz QBLJHPPPZDJIAJ-UPJWGTAASA-N 1 3 238.375 1.397 20 0 BDADHO CC1(C)N[C@@H](CO[C@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877864 959699338 /nfs/dbraw/zinc/69/93/38/959699338.db2.gz DFWFEOWTKSXTIX-QWRGUYRKSA-N 1 3 242.363 1.116 20 0 BDADHO C[C@H]1CN(C[C@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708851955 959922858 /nfs/dbraw/zinc/92/28/58/959922858.db2.gz GMZYKURPMVGZOP-YUTCNCBUSA-N 1 3 234.343 1.247 20 0 BDADHO C[C@@H]1CC[C@@H](Oc2cccc3c2CNC3)C[NH2+]1 ZINC001218402823 960063883 /nfs/dbraw/zinc/06/38/83/960063883.db2.gz WJYAWNIBEDHEHH-ZYHUDNBSSA-N 1 3 232.327 1.809 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1cc[nH]c1)CC2 ZINC001140707898 960523356 /nfs/dbraw/zinc/52/33/56/960523356.db2.gz HMPUHQHJJFACSL-UHFFFAOYSA-N 1 3 219.332 1.542 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)CCN1 ZINC000709374943 960536107 /nfs/dbraw/zinc/53/61/07/960536107.db2.gz LTAMWKBWWZZCOI-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO CCC[C@H](C)C[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491425 972515836 /nfs/dbraw/zinc/51/58/36/972515836.db2.gz AQZAZPHGFGYHLQ-IHRRRGAJSA-N 1 3 239.407 1.448 20 0 BDADHO CCC[C@H](C)C[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491425 972515849 /nfs/dbraw/zinc/51/58/49/972515849.db2.gz AQZAZPHGFGYHLQ-IHRRRGAJSA-N 1 3 239.407 1.448 20 0 BDADHO CN1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709486738 960619220 /nfs/dbraw/zinc/61/92/20/960619220.db2.gz GNDGUXYPGXAQHD-QNMSZWNNSA-N 1 3 237.391 1.343 20 0 BDADHO Cc1cc(CN2CCC(F)(C[NH3+])CC2)ccn1 ZINC001222531988 960681353 /nfs/dbraw/zinc/68/13/53/960681353.db2.gz IFZIQDNILOBJQK-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO N=CNc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001167866003 961346017 /nfs/dbraw/zinc/34/60/17/961346017.db2.gz YGEWCOIMMVINDT-UHFFFAOYSA-N 1 3 215.260 1.040 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1ccns1 ZINC000709968023 961381174 /nfs/dbraw/zinc/38/11/74/961381174.db2.gz UNWIWBBUVBVDCO-ZJUUUORDSA-N 1 3 225.361 1.401 20 0 BDADHO CC[C@H](C(=O)N(C)CC[N@H+](C)C(C)C)N(C)C ZINC001268240014 961468659 /nfs/dbraw/zinc/46/86/59/961468659.db2.gz GQTOBRMPVASHLE-GFCCVEGCSA-N 1 3 243.395 1.125 20 0 BDADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)C(C)C)N(C)C ZINC001268240014 961468675 /nfs/dbraw/zinc/46/86/75/961468675.db2.gz GQTOBRMPVASHLE-GFCCVEGCSA-N 1 3 243.395 1.125 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167902717 961655629 /nfs/dbraw/zinc/65/56/29/961655629.db2.gz NVILNQRWPLHREM-MROQNXINSA-N 1 3 208.349 1.859 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712769365 962975034 /nfs/dbraw/zinc/97/50/34/962975034.db2.gz STYXGGIGLULXPZ-RYUDHWBXSA-N 1 3 240.347 1.095 20 0 BDADHO N[C@H]1CCC[N@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC000712769365 962975045 /nfs/dbraw/zinc/97/50/45/962975045.db2.gz STYXGGIGLULXPZ-RYUDHWBXSA-N 1 3 240.347 1.095 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1[C@H]1CCCC2(C1)OCCO2 ZINC000712782803 963153418 /nfs/dbraw/zinc/15/34/18/963153418.db2.gz KEQMAPWURZTHQP-GRYCIOLGSA-N 1 3 240.347 1.094 20 0 BDADHO COC(C)(C)CN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000697036386 963664673 /nfs/dbraw/zinc/66/46/73/963664673.db2.gz KWFXCBNFFZTYNK-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cnc(N2CCC[C@@H]([NH3+])[C@@H]2C)cc1N ZINC001157742932 963712857 /nfs/dbraw/zinc/71/28/57/963712857.db2.gz GIRYPBOAYLHLOP-VHSXEESVSA-N 1 3 220.320 1.288 20 0 BDADHO C[C@H]1[C@H]([NH3+])CCCN1c1cc(CN(C)C)ccn1 ZINC001157746816 963715545 /nfs/dbraw/zinc/71/55/45/963715545.db2.gz NWDJMIGVZOGOCS-WCQYABFASA-N 1 3 248.374 1.459 20 0 BDADHO CCN(C)C1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC001168141805 963848009 /nfs/dbraw/zinc/84/80/09/963848009.db2.gz JZUVISBUAOHDIO-TZMCWYRMSA-N 1 3 240.391 1.970 20 0 BDADHO COc1ccc2c(c1)C[C@H](NC(C)(C)C[NH3+])C2 ZINC001168233026 964019772 /nfs/dbraw/zinc/01/97/72/964019772.db2.gz XKZYRFFYHDXJKB-GFCCVEGCSA-N 1 3 234.343 1.489 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)CN)C2 ZINC001168245441 964056293 /nfs/dbraw/zinc/05/62/93/964056293.db2.gz YXCUKFQFWTYAMT-GWCFXTLKSA-N 1 3 234.343 1.347 20 0 BDADHO C(=Nc1cc([C@@H]2CCCN2)no1)C1CC[NH2+]CC1 ZINC001159304778 964060355 /nfs/dbraw/zinc/06/03/55/964060355.db2.gz BZOCAOPMWQAIAG-NSHDSACASA-N 1 3 248.330 1.778 20 0 BDADHO c1c(N=C2CCCNC2)onc1[C@H]1CCC[NH2+]1 ZINC001159304796 964060418 /nfs/dbraw/zinc/06/04/18/964060418.db2.gz CPRLLAHPPBMLSO-SNVBAGLBSA-N 1 3 234.303 1.388 20 0 BDADHO CC(C)([NH3+])CNc1cc(N2CCCC2)ccn1 ZINC001160032399 964240300 /nfs/dbraw/zinc/24/03/00/964240300.db2.gz REIOJJGRDOJDJD-UHFFFAOYSA-N 1 3 234.347 1.831 20 0 BDADHO C[NH+](C)C1CCC(N2C[C@H]3C[C@@H](C2)O3)CC1 ZINC001168327620 964460850 /nfs/dbraw/zinc/46/08/50/964460850.db2.gz PPJHLKCIJAYGTM-BPNZPQAUSA-N 1 3 224.348 1.332 20 0 BDADHO CCc1cc(-n2cnc(CN)c2)cc[nH+]1 ZINC001162304707 964911101 /nfs/dbraw/zinc/91/11/01/964911101.db2.gz QWYSGJWNIPOMGU-UHFFFAOYSA-N 1 3 202.261 1.288 20 0 BDADHO CN(C)Cc1ccnc(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162331915 964935223 /nfs/dbraw/zinc/93/52/23/964935223.db2.gz WHPNZDRHXVTCSD-BJHJDKERSA-N 1 3 234.347 1.435 20 0 BDADHO C[C@@H]1C[C@@H](CNc2c[nH]cc3ccnc2-3)C[NH2+]1 ZINC001162556838 965049108 /nfs/dbraw/zinc/04/91/08/965049108.db2.gz XQOOWNFLHNXIDM-NXEZZACHSA-N 1 3 230.315 1.973 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N(c2cc(N)ccn2)C1 ZINC001164063301 965723001 /nfs/dbraw/zinc/72/30/01/965723001.db2.gz RJXPLFMVDJJYSF-ONGXEEELSA-N 1 3 220.320 1.227 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CCC[C@@H]3[NH2+]C[C@@H]32)n1 ZINC001165390224 966086368 /nfs/dbraw/zinc/08/63/68/966086368.db2.gz DDZRSYLHYIGKGJ-AAEUAGOBSA-N 1 3 242.326 1.812 20 0 BDADHO Cc1nc(N(C)C2C[NH2+]C2)cc2[nH]ccc21 ZINC001166977963 966501565 /nfs/dbraw/zinc/50/15/65/966501565.db2.gz GHIVTZWZFBNONK-UHFFFAOYSA-N 1 3 216.288 1.279 20 0 BDADHO CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@](C)(N)C1 ZINC001204762663 967156588 /nfs/dbraw/zinc/15/65/88/967156588.db2.gz APIPCYXPRRYXOC-ZDUSSCGKSA-N 1 3 242.363 1.531 20 0 BDADHO CC(=O)OC(C)(C)CCC[N@H+]1CC[C@](C)(N)C1 ZINC001204762663 967156593 /nfs/dbraw/zinc/15/65/93/967156593.db2.gz APIPCYXPRRYXOC-ZDUSSCGKSA-N 1 3 242.363 1.531 20 0 BDADHO COc1ncc(CN2CCC(C[NH3+])CC2)cc1C ZINC001205033717 967298466 /nfs/dbraw/zinc/29/84/66/967298466.db2.gz MQZADJFDLKRWPZ-UHFFFAOYSA-N 1 3 249.358 1.569 20 0 BDADHO Nc1c(F)cccc1CN1CCC(C[NH3+])CC1 ZINC001205053556 967308096 /nfs/dbraw/zinc/30/80/96/967308096.db2.gz PAVUCLFMCBTNCA-UHFFFAOYSA-N 1 3 237.322 1.579 20 0 BDADHO C[C@H]1CN(CCc2ccccc2F)C[C@H]1C[NH3+] ZINC001205130389 967378477 /nfs/dbraw/zinc/37/84/77/967378477.db2.gz CXKVCDQXYHGDBO-WCQYABFASA-N 1 3 236.334 1.895 20 0 BDADHO C[C@]1([NH3+])CCC[N@H+](Cc2ncccc2[O-])CC1 ZINC001205264820 967457379 /nfs/dbraw/zinc/45/73/79/967457379.db2.gz NFAQBZYISLGKLR-ZDUSSCGKSA-N 1 3 235.331 1.491 20 0 BDADHO C[C@]1([NH3+])CCC[N@@H+](Cc2ncccc2[O-])CC1 ZINC001205264820 967457384 /nfs/dbraw/zinc/45/73/84/967457384.db2.gz NFAQBZYISLGKLR-ZDUSSCGKSA-N 1 3 235.331 1.491 20 0 BDADHO C[C@]1([NH3+])CCCN(Cc2ncccc2O)CC1 ZINC001205264820 967457396 /nfs/dbraw/zinc/45/73/96/967457396.db2.gz NFAQBZYISLGKLR-ZDUSSCGKSA-N 1 3 235.331 1.491 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168704800 967548175 /nfs/dbraw/zinc/54/81/75/967548175.db2.gz PFHIPXGATBNXCN-GXSJLCMTSA-N 1 3 238.762 1.992 20 0 BDADHO Cc1ncc(CN2CCC[C@@](F)(C[NH3+])CC2)o1 ZINC001205582104 967704461 /nfs/dbraw/zinc/70/44/61/967704461.db2.gz WSWHVFJCGNXEDO-LBPRGKRZSA-N 1 3 241.310 1.636 20 0 BDADHO C[C@H]1CC[N@H+](Cc2cncc([O-])c2)CC[C@H]1C[NH3+] ZINC001205639012 967733197 /nfs/dbraw/zinc/73/31/97/967733197.db2.gz UTDCVVVQFLZTHR-AAEUAGOBSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1CC[N@@H+](Cc2cncc([O-])c2)CC[C@H]1C[NH3+] ZINC001205639012 967733205 /nfs/dbraw/zinc/73/32/05/967733205.db2.gz UTDCVVVQFLZTHR-AAEUAGOBSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CN(Cc2ccon2)CCC[C@H]1C[NH3+] ZINC001205996560 967949488 /nfs/dbraw/zinc/94/94/88/967949488.db2.gz XGPOYRVXVRELQI-MNOVXSKESA-N 1 3 223.320 1.481 20 0 BDADHO CCCC[C@@H](CC)C[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458365 968319182 /nfs/dbraw/zinc/31/91/82/968319182.db2.gz YPHOMGXKAWJBQP-FRRDWIJNSA-N 1 3 228.380 1.454 20 0 BDADHO CCCC[C@@H](CC)C[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458365 968319190 /nfs/dbraw/zinc/31/91/90/968319190.db2.gz YPHOMGXKAWJBQP-FRRDWIJNSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H](C[N@@H+]1C[C@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206511818 968347270 /nfs/dbraw/zinc/34/72/70/968347270.db2.gz CKTICMCSWGAUAK-UBHSHLNASA-N 1 3 234.343 1.042 20 0 BDADHO C[C@@H](C[N@H+]1C[C@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206511818 968347275 /nfs/dbraw/zinc/34/72/75/968347275.db2.gz CKTICMCSWGAUAK-UBHSHLNASA-N 1 3 234.343 1.042 20 0 BDADHO CCCC[C@H](O)C[NH+]1C[C@H]2CN(CC)C[C@@H]2C1 ZINC001252096457 968577195 /nfs/dbraw/zinc/57/71/95/968577195.db2.gz CCGDDXIOIIEQIY-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO CN(C)CC(C)(C)C[N@H+](C)C1CCN(C)CC1 ZINC001207274996 968707081 /nfs/dbraw/zinc/70/70/81/968707081.db2.gz IFAORCIFXOXSOY-UHFFFAOYSA-N 1 3 241.423 1.600 20 0 BDADHO COCC1C[NH+](CC(C)(C)CN(C)C)C1 ZINC001207276304 968714067 /nfs/dbraw/zinc/71/40/67/968714067.db2.gz VDNGKPCCTLLYQU-UHFFFAOYSA-N 1 3 214.353 1.152 20 0 BDADHO COC1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001207836610 968895106 /nfs/dbraw/zinc/89/51/06/968895106.db2.gz KARBTFVSPVSBSF-HQXFNHHZSA-N 1 3 224.348 1.094 20 0 BDADHO CN1CCC([N@H+](C)C[C@H]2CCCN(C)C2)CC1 ZINC001208603313 969154066 /nfs/dbraw/zinc/15/40/66/969154066.db2.gz AXBFPFDSXFGWBM-ZDUSSCGKSA-N 1 3 239.407 1.354 20 0 BDADHO CN1CCC([N@@H+](C)C[C@H]2CCCN(C)C2)CC1 ZINC001208603313 969154072 /nfs/dbraw/zinc/15/40/72/969154072.db2.gz AXBFPFDSXFGWBM-ZDUSSCGKSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253412834 969165305 /nfs/dbraw/zinc/16/53/05/969165305.db2.gz UJHYMOWOMCJTGE-QNWHQSFQSA-N 1 3 242.407 1.760 20 0 BDADHO C[C@H]1CC[C@H](C)C1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253412835 969166784 /nfs/dbraw/zinc/16/67/84/969166784.db2.gz UJHYMOWOMCJTGE-SRVKXCTJSA-N 1 3 242.407 1.760 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN(C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208617549 969178192 /nfs/dbraw/zinc/17/81/92/969178192.db2.gz PXDCZJJWOOLQRX-MCIONIFRSA-N 1 3 237.391 1.107 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN(C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208617549 969178195 /nfs/dbraw/zinc/17/81/95/969178195.db2.gz PXDCZJJWOOLQRX-MCIONIFRSA-N 1 3 237.391 1.107 20 0 BDADHO CO[C@@H]1CCC[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470238 969318065 /nfs/dbraw/zinc/31/80/65/969318065.db2.gz RNBWMODQHZIIDR-DDHJBXDOSA-N 1 3 212.337 1.223 20 0 BDADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C[C@H](O)C(C)(C)C)C2 ZINC001253731113 969353055 /nfs/dbraw/zinc/35/30/55/969353055.db2.gz LYUSOEWKBVPNFX-MBNYWOFBSA-N 1 3 240.391 1.277 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1CN)C2 ZINC001169081359 969403062 /nfs/dbraw/zinc/40/30/62/969403062.db2.gz RYMCKEMYSJNURW-URLYPYJESA-N 1 3 220.320 1.140 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cncc1CN)C2 ZINC001169081359 969403065 /nfs/dbraw/zinc/40/30/65/969403065.db2.gz RYMCKEMYSJNURW-URLYPYJESA-N 1 3 220.320 1.140 20 0 BDADHO Cn1cccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169081607 969403176 /nfs/dbraw/zinc/40/31/76/969403176.db2.gz UHJMZJRPSSAOCA-CLLJXQQHSA-N 1 3 233.359 1.740 20 0 BDADHO C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125382 969425672 /nfs/dbraw/zinc/42/56/72/969425672.db2.gz HMHNDUAAMNJCKF-YIYPIFLZSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125382 969425678 /nfs/dbraw/zinc/42/56/78/969425678.db2.gz HMHNDUAAMNJCKF-YIYPIFLZSA-N 1 3 238.375 1.722 20 0 BDADHO CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169114787 969452371 /nfs/dbraw/zinc/45/23/71/969452371.db2.gz YNCAJBMOCHARLB-YIYPIFLZSA-N 1 3 237.391 1.295 20 0 BDADHO CC[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001169245515 969528473 /nfs/dbraw/zinc/52/84/73/969528473.db2.gz GNBRYPCAYMFYLE-UHFFFAOYSA-N 1 3 214.328 1.905 20 0 BDADHO CN(C)[C@H]1CC[N@@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254516326 969689382 /nfs/dbraw/zinc/68/93/82/969689382.db2.gz LWMDVDJUEAXQNT-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)[C@H]1CC[N@H+]([C@@H]2CCCN(C)CC2)C1 ZINC001254516326 969689395 /nfs/dbraw/zinc/68/93/95/969689395.db2.gz LWMDVDJUEAXQNT-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CCC[C@@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530603 969731117 /nfs/dbraw/zinc/73/11/17/969731117.db2.gz ZIULRYXSJBBFGR-MELADBBJSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530603 969731125 /nfs/dbraw/zinc/73/11/25/969731125.db2.gz ZIULRYXSJBBFGR-MELADBBJSA-N 1 3 238.375 1.439 20 0 BDADHO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CC2CCN(CC2)C1 ZINC001254866525 969813320 /nfs/dbraw/zinc/81/33/20/969813320.db2.gz PKKUSRWCEJDDBN-ZNMIVQPWSA-N 1 3 249.402 1.249 20 0 BDADHO CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CC2CCN(CC2)C1 ZINC001254866525 969813322 /nfs/dbraw/zinc/81/33/22/969813322.db2.gz PKKUSRWCEJDDBN-ZNMIVQPWSA-N 1 3 249.402 1.249 20 0 BDADHO NCc1cc(NCC23CC[NH+](CC2)CC3)ccn1 ZINC001169803307 969850179 /nfs/dbraw/zinc/85/01/79/969850179.db2.gz WNYJBHQYBRPFHH-UHFFFAOYSA-N 1 3 246.358 1.438 20 0 BDADHO CCCN1C[C@@H]2C[NH+]([C@H](C)COC)C[C@H]2C1 ZINC001255582930 970388801 /nfs/dbraw/zinc/38/88/01/970388801.db2.gz FCMQKXMUKNAGKQ-JHJVBQTASA-N 1 3 226.364 1.295 20 0 BDADHO C[C@H](CN)C[N@@H+](C)C1CCC2(CC1)OCCO2 ZINC001255617577 970401989 /nfs/dbraw/zinc/40/19/89/970401989.db2.gz OMJIEGYSIOKJGC-LLVKDONJSA-N 1 3 242.363 1.199 20 0 BDADHO C[C@H](CN)C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC001255617577 970401978 /nfs/dbraw/zinc/40/19/78/970401978.db2.gz OMJIEGYSIOKJGC-LLVKDONJSA-N 1 3 242.363 1.199 20 0 BDADHO CC[C@@H]1C[C@H]([N@H+](C)C[C@@H](C)CN)CCO1 ZINC001170182609 970559267 /nfs/dbraw/zinc/55/92/67/970559267.db2.gz NJWQBDHFWWZNMU-QJPTWQEYSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C)CN)CCO1 ZINC001170182609 970559273 /nfs/dbraw/zinc/55/92/73/970559273.db2.gz NJWQBDHFWWZNMU-QJPTWQEYSA-N 1 3 214.353 1.471 20 0 BDADHO CC[NH+](CC)CC[C@H](C)n1nc(CN)cc1C ZINC001255941948 970568369 /nfs/dbraw/zinc/56/83/69/970568369.db2.gz CGNWQKOCSBWKIU-NSHDSACASA-N 1 3 238.379 1.943 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCCN(C)C ZINC001255940083 970569536 /nfs/dbraw/zinc/56/95/36/970569536.db2.gz OBSSXYIKGKYHPO-LBPRGKRZSA-N 1 3 215.385 1.258 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCCCO ZINC001255940143 970572696 /nfs/dbraw/zinc/57/26/96/970572696.db2.gz QOGYOBUSYMIIPL-LBPRGKRZSA-N 1 3 216.369 1.469 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC001255941879 970578283 /nfs/dbraw/zinc/57/82/83/970578283.db2.gz YSQGEMJRMMKJCW-MJBXVCDLSA-N 1 3 242.407 1.857 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000400783450 970629776 /nfs/dbraw/zinc/62/97/76/970629776.db2.gz IFRCVLMTPKHINF-TUAOUCFPSA-N 1 3 243.395 1.206 20 0 BDADHO CN1CC(CNc2cc[nH+]c(C3CC3)c2)C1 ZINC001170256511 970637674 /nfs/dbraw/zinc/63/76/74/970637674.db2.gz PLYOGFZJGCQCOF-UHFFFAOYSA-N 1 3 217.316 1.933 20 0 BDADHO C[C@@H](Cc1ccccn1)N1CCC[C@@H]([NH3+])CC1 ZINC001246540337 972556170 /nfs/dbraw/zinc/55/61/70/972556170.db2.gz GITUMLLBQLFWBR-QWHCGFSZSA-N 1 3 233.359 1.826 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H](O)CC2)CCN1 ZINC001246557677 972770918 /nfs/dbraw/zinc/77/09/18/972770918.db2.gz NVVWNFMKJMAQBY-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CCN1 ZINC001246557677 972770914 /nfs/dbraw/zinc/77/09/14/972770914.db2.gz NVVWNFMKJMAQBY-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO CC[C@@H](Cc1ccccc1)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246574886 972870977 /nfs/dbraw/zinc/87/09/77/972870977.db2.gz BXMXIIGFXJPUJO-SOUVJXGZSA-N 1 3 248.370 1.259 20 0 BDADHO CC[C@@H](Cc1ccccc1)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246574886 972870984 /nfs/dbraw/zinc/87/09/84/972870984.db2.gz BXMXIIGFXJPUJO-SOUVJXGZSA-N 1 3 248.370 1.259 20 0 BDADHO COC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)[C@H]1C ZINC001246825094 973121766 /nfs/dbraw/zinc/12/17/66/973121766.db2.gz UCJVQJKUDVHCJW-CMPLNLGQSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)[C@H]1C ZINC001246825094 973121783 /nfs/dbraw/zinc/12/17/83/973121783.db2.gz UCJVQJKUDVHCJW-CMPLNLGQSA-N 1 3 240.347 1.012 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875152 973266430 /nfs/dbraw/zinc/26/64/30/973266430.db2.gz XQPBCQDUYOSPGS-ROHXPCBUSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875152 973266457 /nfs/dbraw/zinc/26/64/57/973266457.db2.gz XQPBCQDUYOSPGS-ROHXPCBUSA-N 1 3 212.312 1.274 20 0 BDADHO CN[C@@H]1CCN1[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904908 973382837 /nfs/dbraw/zinc/38/28/37/973382837.db2.gz YSVAFYMHWXHCFG-STQMWFEESA-N 1 3 237.391 1.693 20 0 BDADHO CC1(C)C[C@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246998475 973794902 /nfs/dbraw/zinc/79/49/02/973794902.db2.gz XHASJDNJJNKFDA-OCCSQVGLSA-N 1 3 249.402 1.859 20 0 BDADHO CC(C)(C[NH3+])N[C@@H]1Cc2cccc(F)c2C1 ZINC001171773810 974159082 /nfs/dbraw/zinc/15/90/82/974159082.db2.gz PDQGLXIMLYPVMA-SNVBAGLBSA-N 1 3 222.307 1.620 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]1CN)C2 ZINC001172104835 974367283 /nfs/dbraw/zinc/36/72/83/974367283.db2.gz GIVREJKUDPJGCR-RFQIPJPRSA-N 1 3 237.391 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H]1CN)C2 ZINC001172104835 974367295 /nfs/dbraw/zinc/36/72/95/974367295.db2.gz GIVREJKUDPJGCR-RFQIPJPRSA-N 1 3 237.391 1.425 20 0 BDADHO C[C@@H](CN)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224448 974459882 /nfs/dbraw/zinc/45/98/82/974459882.db2.gz PUHMMQXRPVFUDI-YEJSDXFRSA-N 1 3 212.337 1.223 20 0 BDADHO CC(C)COCC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172463436 974829042 /nfs/dbraw/zinc/82/90/42/974829042.db2.gz OKHBQCGKHPTSNM-STQMWFEESA-N 1 3 230.396 1.964 20 0 BDADHO CC(C)COCC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172463436 974829046 /nfs/dbraw/zinc/82/90/46/974829046.db2.gz OKHBQCGKHPTSNM-STQMWFEESA-N 1 3 230.396 1.964 20 0 BDADHO CC[NH+]1CCC(Oc2ccnc(N)c2)CC1 ZINC001226656907 975003209 /nfs/dbraw/zinc/00/32/09/975003209.db2.gz NHMJUAGKTOGJOF-UHFFFAOYSA-N 1 3 221.304 1.527 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC001332402822 975094284 /nfs/dbraw/zinc/09/42/84/975094284.db2.gz SPRGRCNCXHKQBE-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO CCN1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001173350000 975290752 /nfs/dbraw/zinc/29/07/52/975290752.db2.gz HVSBYROIOCOBEI-GFCCVEGCSA-N 1 3 232.331 1.481 20 0 BDADHO CC[N@@H+]1CC[C@@H](Nc2cccc(F)c2CN)C1 ZINC001173349457 975293239 /nfs/dbraw/zinc/29/32/39/975293239.db2.gz GMKFSGZZTGAARZ-SNVBAGLBSA-N 1 3 237.322 1.791 20 0 BDADHO CC[N@H+]1CC[C@@H](Nc2cccc(F)c2CN)C1 ZINC001173349457 975293245 /nfs/dbraw/zinc/29/32/45/975293245.db2.gz GMKFSGZZTGAARZ-SNVBAGLBSA-N 1 3 237.322 1.791 20 0 BDADHO CC1(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391652 976489301 /nfs/dbraw/zinc/48/93/01/976489301.db2.gz WZKLARCMLBETRZ-QWRGUYRKSA-N 1 3 242.363 1.245 20 0 BDADHO CC(C)OCC[C@@H](O)CNCC[C@@H](C)[NH+](C)C ZINC001335381654 977014154 /nfs/dbraw/zinc/01/41/54/977014154.db2.gz OTTFVHJMTQBSFT-CHWSQXEVSA-N 1 3 246.395 1.092 20 0 BDADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccncc1 ZINC001336410859 977667703 /nfs/dbraw/zinc/66/77/03/977667703.db2.gz QITUQDXDXZHTLK-CHWSQXEVSA-N 1 3 217.316 1.755 20 0 BDADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccncc1 ZINC001336410859 977667712 /nfs/dbraw/zinc/66/77/12/977667712.db2.gz QITUQDXDXZHTLK-CHWSQXEVSA-N 1 3 217.316 1.755 20 0 BDADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC001338491142 978695655 /nfs/dbraw/zinc/69/56/55/978695655.db2.gz FHTXRBVIIAXTDS-WCQYABFASA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)[N@H+]1CC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC001338491142 978695659 /nfs/dbraw/zinc/69/56/59/978695659.db2.gz FHTXRBVIIAXTDS-WCQYABFASA-N 1 3 240.391 1.467 20 0 BDADHO CCC[C@@H](C)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052535 978962756 /nfs/dbraw/zinc/96/27/56/978962756.db2.gz GXWNHYMCXGNJIR-CHWSQXEVSA-N 1 3 225.380 1.060 20 0 BDADHO c1ccc([C@@H]2CN(C[C@@H]3CC[NH2+]C3)CCN2)cc1 ZINC001235859830 979172920 /nfs/dbraw/zinc/17/29/20/979172920.db2.gz PNVGMRFWUQIVOO-HIFRSBDPSA-N 1 3 245.370 1.242 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977280 979240677 /nfs/dbraw/zinc/24/06/77/979240677.db2.gz FZRVTKFCGOSMNG-ZIAGYGMSSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977280 979240689 /nfs/dbraw/zinc/24/06/89/979240689.db2.gz FZRVTKFCGOSMNG-ZIAGYGMSSA-N 1 3 231.343 1.437 20 0 BDADHO [NH3+]CCCCN1CCc2nc(C3CC3)ncc2C1 ZINC001236045507 979335525 /nfs/dbraw/zinc/33/55/25/979335525.db2.gz VJYGMCSGOVWKJY-UHFFFAOYSA-N 1 3 246.358 1.451 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(CCCCCO)C[C@H]2C1 ZINC001236323214 979539133 /nfs/dbraw/zinc/53/91/33/979539133.db2.gz XSTMHBIIKQVQSX-ZIAGYGMSSA-N 1 3 240.391 1.423 20 0 BDADHO CCCN1C[C@@H]2C[NH+](CCCCCO)C[C@H]2C1 ZINC001236323214 979539143 /nfs/dbraw/zinc/53/91/43/979539143.db2.gz XSTMHBIIKQVQSX-ZIAGYGMSSA-N 1 3 240.391 1.423 20 0 BDADHO CC1(CN2CCC[C@@](C)([NH3+])CC2)COC1 ZINC001205254860 979728355 /nfs/dbraw/zinc/72/83/55/979728355.db2.gz CQHCQOOEZCWFPC-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(C[NH3+])CCCN(CCCCCO)C1 ZINC001237060246 979812080 /nfs/dbraw/zinc/81/20/80/979812080.db2.gz YUNJFEQUNLITGO-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO CCc1[nH]ncc1CN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001237653834 980020083 /nfs/dbraw/zinc/02/00/83/980020083.db2.gz PZLRMDMYJFAFEC-TZMCWYRMSA-N 1 3 248.374 1.356 20 0 BDADHO Nc1nc2cc(C3=CCC[NH2+]CC3)ccc2[nH]1 ZINC001238946555 980386760 /nfs/dbraw/zinc/38/67/60/980386760.db2.gz WYTUWGVRJQHDTQ-UHFFFAOYSA-N 1 3 228.299 1.912 20 0 BDADHO Nc1nc2ccc(C3=CCC[NH2+]CC3)cc2[nH]1 ZINC001238946555 980386767 /nfs/dbraw/zinc/38/67/67/980386767.db2.gz WYTUWGVRJQHDTQ-UHFFFAOYSA-N 1 3 228.299 1.912 20 0 BDADHO Cc1cnc(-c2cncc(C[NH3+])c2)cc1N ZINC001239791475 980931981 /nfs/dbraw/zinc/93/19/81/980931981.db2.gz OZJNOOKDIJEMMX-UHFFFAOYSA-N 1 3 214.272 1.493 20 0 BDADHO C[C@H]1CCN(Cc2nccn2C)CC[C@@H]1C[NH3+] ZINC001205600439 981155025 /nfs/dbraw/zinc/15/50/25/981155025.db2.gz BSOWVDRUGCBFMA-NWDGAFQWSA-N 1 3 236.363 1.227 20 0 BDADHO O[C@H]1C[NH2+]CC[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001580879763 981669247 /nfs/dbraw/zinc/66/92/47/981669247.db2.gz FBHHYIIDJCXKFL-AJNGGQMLSA-N 1 3 246.354 1.103 20 0 BDADHO O[C@@]1(CN[C@@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880741 981681041 /nfs/dbraw/zinc/68/10/41/981681041.db2.gz XDTGQRKXWSHPDS-YPMHNXCESA-N 1 3 224.348 1.023 20 0 BDADHO OC[C@H]([NH2+]CC12CC(C1)CN2)C1CCCCC1 ZINC001580881851 981688064 /nfs/dbraw/zinc/68/80/64/981688064.db2.gz LYAZHXCCSAZTDD-QRMWWUJWSA-N 1 3 238.375 1.269 20 0 BDADHO c1ccc([C@H]2C[C@H](NCC3C[NH2+]C3)CCO2)nc1 ZINC001580895607 981726321 /nfs/dbraw/zinc/72/63/21/981726321.db2.gz OKGPSCLAFKQOSL-TZMCWYRMSA-N 1 3 247.342 1.111 20 0 BDADHO C(c1ccc2c(n1)CNCC2)=C1CC[NH2+]CC1 ZINC001240874647 981919044 /nfs/dbraw/zinc/91/90/44/981919044.db2.gz WZAIZRZBIPTFNU-UHFFFAOYSA-N 1 3 229.327 1.494 20 0 BDADHO CN(C)C1CN(c2cc[nH+]cc2C2CC2)C1 ZINC001352117464 982479129 /nfs/dbraw/zinc/47/91/29/982479129.db2.gz VYPWZUCUOLZHBZ-UHFFFAOYSA-N 1 3 217.316 1.709 20 0 BDADHO C[C@@H](NC1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059648 983821117 /nfs/dbraw/zinc/82/11/17/983821117.db2.gz LWFUCTLRFHLYOX-SECBINFHSA-N 1 3 245.326 1.369 20 0 BDADHO CC(C)[NH2+]CCC(=O)Nc1cccc2c1CNC2 ZINC001358059595 983822370 /nfs/dbraw/zinc/82/23/70/983822370.db2.gz JXLUZORRQBPNPV-UHFFFAOYSA-N 1 3 247.342 1.616 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001202530996 983876255 /nfs/dbraw/zinc/87/62/55/983876255.db2.gz YGJHOUIBSANXSD-MELADBBJSA-N 1 3 238.375 1.297 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2C1 ZINC001202530996 983876258 /nfs/dbraw/zinc/87/62/58/983876258.db2.gz YGJHOUIBSANXSD-MELADBBJSA-N 1 3 238.375 1.297 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1(C)CC1 ZINC001253384633 984140329 /nfs/dbraw/zinc/14/03/29/984140329.db2.gz DAENNEOUHONVPS-JTQLQIEISA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1(C)CC1 ZINC001253384633 984140351 /nfs/dbraw/zinc/14/03/51/984140351.db2.gz DAENNEOUHONVPS-JTQLQIEISA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@]1(CN[C@]23CCC[C@H]2OCC3)CC[NH2+]C1 ZINC001576526069 984172362 /nfs/dbraw/zinc/17/23/62/984172362.db2.gz MTIBUEVCZMHIAQ-UPJWGTAASA-N 1 3 224.348 1.287 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@@H](CO)CC(F)F ZINC001577052086 984186240 /nfs/dbraw/zinc/18/62/40/984186240.db2.gz IAGSEWOLMIXZOV-SECBINFHSA-N 1 3 238.322 1.357 20 0 BDADHO CCCC[C@H](COC)N[C@H]1C[C@@H]([NH3+])C1 ZINC001577400927 984195118 /nfs/dbraw/zinc/19/51/18/984195118.db2.gz PJUPVGKDRPPULV-MXWKQRLJSA-N 1 3 200.326 1.271 20 0 BDADHO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](CN)C(C)C ZINC001577908512 984201517 /nfs/dbraw/zinc/20/15/17/984201517.db2.gz KNOYAHMRNJVEPF-IJLUTSLNSA-N 1 3 244.379 1.395 20 0 BDADHO COCC[C@H]([NH3+])CN[C@@H]1C[C@](C)(OC)C1(C)C ZINC001579001573 984244878 /nfs/dbraw/zinc/24/48/78/984244878.db2.gz JIPLAFKQQHZILB-LOWVWBTDSA-N 1 3 244.379 1.143 20 0 BDADHO C[NH2+]Cc1cccc(-c2cc(CN)ncn2)c1 ZINC001242995154 984358974 /nfs/dbraw/zinc/35/89/74/984358974.db2.gz CANPBBADQGZMSC-UHFFFAOYSA-N 1 3 228.299 1.322 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC001580430517 984537693 /nfs/dbraw/zinc/53/76/93/984537693.db2.gz POYGAELGGYSAPW-AULYBMBSSA-N 1 3 246.358 1.130 20 0 BDADHO [NH3+][C@H]1C[C@H](NC2CCN(c3ccccn3)CC2)C1 ZINC001580430517 984537697 /nfs/dbraw/zinc/53/76/97/984537697.db2.gz POYGAELGGYSAPW-AULYBMBSSA-N 1 3 246.358 1.130 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1cc[nH]c1)C2 ZINC001276103235 984814815 /nfs/dbraw/zinc/81/48/15/984814815.db2.gz GTKASMQPDCYARK-AWEZNQCLSA-N 1 3 233.359 1.932 20 0 BDADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1cc[nH]c1)C2 ZINC001276103235 984814828 /nfs/dbraw/zinc/81/48/28/984814828.db2.gz GTKASMQPDCYARK-AWEZNQCLSA-N 1 3 233.359 1.932 20 0 BDADHO CCOC(=O)C1=CC[C@H]([NH2+]CC(C)(C)CN)C1 ZINC001577932366 984822195 /nfs/dbraw/zinc/82/21/95/984822195.db2.gz OKDGUDXUNOQIFN-NSHDSACASA-N 1 3 240.347 1.213 20 0 BDADHO CCOC(=O)C1=CC[C@H](NCC(C)(C)C[NH3+])C1 ZINC001577932366 984822197 /nfs/dbraw/zinc/82/21/97/984822197.db2.gz OKDGUDXUNOQIFN-NSHDSACASA-N 1 3 240.347 1.213 20 0 BDADHO CCOC(=O)CCN(CCC[NH2+]C)CC1CC1 ZINC001577948436 984829713 /nfs/dbraw/zinc/82/97/13/984829713.db2.gz BTOUOICRDJRBNC-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO CCOC(=O)[C@H]1CC[C@H](NC(C)(C)C[NH3+])C1 ZINC001257034654 984847727 /nfs/dbraw/zinc/84/77/27/984847727.db2.gz XSBCYLKHYPCFGZ-UWVGGRQHSA-N 1 3 228.336 1.045 20 0 BDADHO CCOCCO[C@H]1CCN(CC(C)(C)C[NH3+])C1 ZINC001578119975 984851539 /nfs/dbraw/zinc/85/15/39/984851539.db2.gz OJDPMZSFCMFIMT-LBPRGKRZSA-N 1 3 244.379 1.099 20 0 BDADHO CO[C@@H]1CCN(C2CC[NH+](C(C)C)CC2)C1 ZINC001257214606 984853634 /nfs/dbraw/zinc/85/36/34/984853634.db2.gz HRFHIOMSOSMXAU-CYBMUJFWSA-N 1 3 226.364 1.580 20 0 BDADHO CCC[C@@H](CC)[NH+](CCN(C)C)CCN(C)C ZINC001257262590 984861222 /nfs/dbraw/zinc/86/12/22/984861222.db2.gz CRUVPQATRVGFHD-CQSZACIVSA-N 1 3 243.439 1.990 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001578160824 984863841 /nfs/dbraw/zinc/86/38/41/984863841.db2.gz FBTJODMNPGHGCV-KXNHARMFSA-N 1 3 212.337 1.413 20 0 BDADHO CN1CC[C@@H]1C[NH2+]C[C@H](N)CCC(C)(C)C ZINC001578526065 985151626 /nfs/dbraw/zinc/15/16/26/985151626.db2.gz YMZOVWOAICALTI-VXGBXAGGSA-N 1 3 227.396 1.434 20 0 BDADHO CN1CC[C@@H]1CNC[C@H]([NH3+])CCC(C)(C)C ZINC001578526065 985151638 /nfs/dbraw/zinc/15/16/38/985151638.db2.gz YMZOVWOAICALTI-VXGBXAGGSA-N 1 3 227.396 1.434 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622345 985237414 /nfs/dbraw/zinc/23/74/14/985237414.db2.gz SCGWUHOIHVAJQI-YPMHNXCESA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622345 985237427 /nfs/dbraw/zinc/23/74/27/985237427.db2.gz SCGWUHOIHVAJQI-YPMHNXCESA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](SC)C1 ZINC001578638367 985248375 /nfs/dbraw/zinc/24/83/75/985248375.db2.gz MLIMXXDHWLJRNX-HBNTYKKESA-N 1 3 216.394 1.858 20 0 BDADHO CNC[C@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001578654717 985275363 /nfs/dbraw/zinc/27/53/63/985275363.db2.gz XRQRVQSPBNMCGZ-LBPRGKRZSA-N 1 3 226.364 1.269 20 0 BDADHO C[NH2+]CCCN(C)CC1(O)CCCCCC1 ZINC001578687327 985286693 /nfs/dbraw/zinc/28/66/93/985286693.db2.gz IJOJCYFNOCPHDG-UHFFFAOYSA-N 1 3 228.380 1.613 20 0 BDADHO COC(=O)[C@@H](C[NH2+]CC1(CN)CC1)CC(C)C ZINC001578774949 985344792 /nfs/dbraw/zinc/34/47/92/985344792.db2.gz SHWDMVFHQMMIGN-LLVKDONJSA-N 1 3 242.363 1.150 20 0 BDADHO COC(=O)[C@@H](CNCC1(C[NH3+])CC1)CC(C)C ZINC001578774949 985344797 /nfs/dbraw/zinc/34/47/97/985344797.db2.gz SHWDMVFHQMMIGN-LLVKDONJSA-N 1 3 242.363 1.150 20 0 BDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC001578787967 985354821 /nfs/dbraw/zinc/35/48/21/985354821.db2.gz GQMQFNNAHBMESS-DDHJBXDOSA-N 1 3 242.363 1.147 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](N)C2)[C@H]1C ZINC001578803596 985372289 /nfs/dbraw/zinc/37/22/89/985372289.db2.gz UMECZCCYLKXHRI-HTFCKZLJSA-N 1 3 240.347 1.044 20 0 BDADHO CCCC[NH+]1CCC(N[C@@H]2COC[C@@H]2C)CC1 ZINC000688026632 985500031 /nfs/dbraw/zinc/50/00/31/985500031.db2.gz WASNEEUGQPWJDM-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]([C@H](C)O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001459524351 985518403 /nfs/dbraw/zinc/51/84/03/985518403.db2.gz CNLGMUNGMLZULD-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617373 985562544 /nfs/dbraw/zinc/56/25/44/985562544.db2.gz XBNNZRHVKKYSLG-WCQYABFASA-N 1 3 236.363 1.367 20 0 BDADHO C[C@H]1C[C@H](N(C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617373 985562573 /nfs/dbraw/zinc/56/25/73/985562573.db2.gz XBNNZRHVKKYSLG-WCQYABFASA-N 1 3 236.363 1.367 20 0 BDADHO COC[C@@H](CC1CCOCC1)NC(C)(C)C[NH3+] ZINC001578960364 985582482 /nfs/dbraw/zinc/58/24/82/985582482.db2.gz GJFIPAVEDJPVJL-GFCCVEGCSA-N 1 3 244.379 1.145 20 0 BDADHO COCC[C@H]([NH3+])CN[C@@H](COC)CC(C)(C)C ZINC001579000673 985616121 /nfs/dbraw/zinc/61/61/21/985616121.db2.gz AOAIFUQTBFXVSO-NWDGAFQWSA-N 1 3 246.395 1.391 20 0 BDADHO COCC[C@@H]([NH3+])CNC[C@H](C)c1ccncc1 ZINC001579002025 985651559 /nfs/dbraw/zinc/65/15/59/985651559.db2.gz NASZETDOYULYHV-WCQYABFASA-N 1 3 237.347 1.139 20 0 BDADHO COc1cc(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)ccn1 ZINC001579148467 985815649 /nfs/dbraw/zinc/81/56/49/985815649.db2.gz BYSBCCNZOTZFGC-VXGBXAGGSA-N 1 3 249.358 1.348 20 0 BDADHO COc1ccc(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC001579209109 985821304 /nfs/dbraw/zinc/82/13/04/985821304.db2.gz IPYAOWTWPQIIBG-NWDGAFQWSA-N 1 3 249.358 1.348 20 0 BDADHO COC(=O)CC[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC001258355904 985837048 /nfs/dbraw/zinc/83/70/48/985837048.db2.gz LRXDFKYNJPPJNG-VXGBXAGGSA-N 1 3 242.363 1.402 20 0 BDADHO CS[C@H]1CC[C@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC001579366918 985855184 /nfs/dbraw/zinc/85/51/84/985855184.db2.gz GJQJFAMWCBDFJK-YTWAJWBKSA-N 1 3 214.378 1.326 20 0 BDADHO C[C@@H]1CN(CCC(=O)OC(C)(C)C)C[C@H]1C[NH3+] ZINC001579440293 985930206 /nfs/dbraw/zinc/93/02/06/985930206.db2.gz UHIJIOFNWZAWEM-GHMZBOCLSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@@H]1CCCC[C@H]1O)C2 ZINC001579473581 985981159 /nfs/dbraw/zinc/98/11/59/985981159.db2.gz GJSVDTFSAZQBTP-DGAVXFQQSA-N 1 3 238.375 1.079 20 0 BDADHO C[Si](C)(C)C[N@@H+]1CC[C@]12CCCNC2 ZINC001579510070 986064531 /nfs/dbraw/zinc/06/45/31/986064531.db2.gz RPPQBHBFJISDAE-NSHDSACASA-N 1 3 212.413 1.692 20 0 BDADHO C[Si](C)(C)C[N@H+]1CC[C@]12CCCNC2 ZINC001579510070 986064538 /nfs/dbraw/zinc/06/45/38/986064538.db2.gz RPPQBHBFJISDAE-NSHDSACASA-N 1 3 212.413 1.692 20 0 BDADHO C[Si](C)(C)C[N@@H+]1CC[C@@]12CCCNC2 ZINC001579510069 986064963 /nfs/dbraw/zinc/06/49/63/986064963.db2.gz RPPQBHBFJISDAE-LLVKDONJSA-N 1 3 212.413 1.692 20 0 BDADHO C[Si](C)(C)C[N@H+]1CC[C@@]12CCCNC2 ZINC001579510069 986064980 /nfs/dbraw/zinc/06/49/80/986064980.db2.gz RPPQBHBFJISDAE-LLVKDONJSA-N 1 3 212.413 1.692 20 0 BDADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCN2)cc1 ZINC001579684935 986171068 /nfs/dbraw/zinc/17/10/68/986171068.db2.gz ZDEAPVVXPLMKQB-OCCSQVGLSA-N 1 3 218.344 1.878 20 0 BDADHO Cc1ccncc1CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC001579814846 986235716 /nfs/dbraw/zinc/23/57/16/986235716.db2.gz PYHWQJPEYDJDRL-STQMWFEESA-N 1 3 233.359 1.648 20 0 BDADHO Cc1nccnc1[C@H](C)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001579882585 986302580 /nfs/dbraw/zinc/30/25/80/986302580.db2.gz AQDZXCMIKXKIKS-URAGZPLESA-N 1 3 232.331 1.315 20 0 BDADHO CC[C@H](C)C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001462638362 986481342 /nfs/dbraw/zinc/48/13/42/986481342.db2.gz YGGFNQSMYIDLGP-WCQYABFASA-N 1 3 210.365 1.964 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001462662566 986488065 /nfs/dbraw/zinc/48/80/65/986488065.db2.gz CXPNCRDIXHMUSA-CKIKVBCHSA-N 1 3 226.364 1.340 20 0 BDADHO CSC1(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)CC1 ZINC001462663611 986492265 /nfs/dbraw/zinc/49/22/65/986492265.db2.gz FJLVMZACWACTNW-IJLUTSLNSA-N 1 3 240.416 1.812 20 0 BDADHO [NH3+]C1CC(N[C@H](CO)CCc2ccccc2)C1 ZINC001580164366 986631418 /nfs/dbraw/zinc/63/14/18/986631418.db2.gz HTHSAOZZFNJKJZ-MOKVOYLWSA-N 1 3 234.343 1.059 20 0 BDADHO NC1CC([NH2+]C[C@@H]2C[C@@H]2C2CCCC2)C1 ZINC001580162625 986637075 /nfs/dbraw/zinc/63/70/75/986637075.db2.gz CIZGRQFQESYBAO-YWPUVAFDSA-N 1 3 208.349 1.892 20 0 BDADHO CN1CCC[C@@H]([N@@H+]2CC[C@@H](F)C2)CC1 ZINC001254515858 986662932 /nfs/dbraw/zinc/66/29/32/986662932.db2.gz FJRFOTXMKSEJHV-GHMZBOCLSA-N 1 3 200.301 1.515 20 0 BDADHO CN1CCC[C@@H]([N@H+]2CC[C@@H](F)C2)CC1 ZINC001254515858 986662941 /nfs/dbraw/zinc/66/29/41/986662941.db2.gz FJRFOTXMKSEJHV-GHMZBOCLSA-N 1 3 200.301 1.515 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCC[C@H]1CCO1 ZINC001580254676 986710919 /nfs/dbraw/zinc/71/09/19/986710919.db2.gz YWPOONUTLGVJSO-FRRDWIJNSA-N 1 3 224.348 1.369 20 0 BDADHO NC[C@]12C[N@H+](CCc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580256695 986710865 /nfs/dbraw/zinc/71/08/65/986710865.db2.gz WYMBXYUZQYLQHQ-UONOGXRCSA-N 1 3 248.374 1.403 20 0 BDADHO NC[C@]12C[N@@H+](CCc3cn[nH]c3)C[C@@H]1CCCC2 ZINC001580256695 986710870 /nfs/dbraw/zinc/71/08/70/986710870.db2.gz WYMBXYUZQYLQHQ-UONOGXRCSA-N 1 3 248.374 1.403 20 0 BDADHO NC[C@@]12C[N@H+](CCn3ccnc3)C[C@H]1CCCC2 ZINC001580256453 986711235 /nfs/dbraw/zinc/71/12/35/986711235.db2.gz ULPQVVXOOSYMTQ-KGLIPLIRSA-N 1 3 248.374 1.334 20 0 BDADHO NC[C@@]12C[N@@H+](CCn3ccnc3)C[C@H]1CCCC2 ZINC001580256453 986711243 /nfs/dbraw/zinc/71/12/43/986711243.db2.gz ULPQVVXOOSYMTQ-KGLIPLIRSA-N 1 3 248.374 1.334 20 0 BDADHO [NH3+]CCCCCCCN1CC[C@@](F)(CO)C1 ZINC001580293186 986735777 /nfs/dbraw/zinc/73/57/77/986735777.db2.gz WEMMDDVTSZYACI-LBPRGKRZSA-N 1 3 232.343 1.302 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC001580429979 986847367 /nfs/dbraw/zinc/84/73/67/986847367.db2.gz DYHVKPLDICUFMJ-ZKCHVHJHSA-N 1 3 204.264 1.154 20 0 BDADHO [NH3+][C@H]1C[C@H](NC2CC(CF)(CF)C2)C1 ZINC001580429979 986847368 /nfs/dbraw/zinc/84/73/68/986847368.db2.gz DYHVKPLDICUFMJ-ZKCHVHJHSA-N 1 3 204.264 1.154 20 0 BDADHO CO[C@@H]1CC[N@@H+](C2CCN(C(C)(C)C)CC2)C1 ZINC001256569420 987230912 /nfs/dbraw/zinc/23/09/12/987230912.db2.gz FFKTWWDQBIFKOL-CYBMUJFWSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[N@H+](C2CCN(C(C)(C)C)CC2)C1 ZINC001256569420 987230923 /nfs/dbraw/zinc/23/09/23/987230923.db2.gz FFKTWWDQBIFKOL-CYBMUJFWSA-N 1 3 240.391 1.970 20 0 BDADHO CCCC[C@H](O)CNC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245971376 987239931 /nfs/dbraw/zinc/23/99/31/987239931.db2.gz GBVMNNLEIYINPA-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO CCCC[C@H](O)CNC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245971360 987245542 /nfs/dbraw/zinc/24/55/42/987245542.db2.gz GBVMNNLEIYINPA-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)CN1 ZINC001245976349 987250793 /nfs/dbraw/zinc/25/07/93/987250793.db2.gz SCLYKGUDOOWSPZ-AEGPPILISA-N 1 3 248.370 1.624 20 0 BDADHO CCCCC[C@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245982547 987261010 /nfs/dbraw/zinc/26/10/10/987261010.db2.gz FWNXGWOTIPVJIZ-STQMWFEESA-N 1 3 228.380 1.517 20 0 BDADHO CCC[C@@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246015431 987295606 /nfs/dbraw/zinc/29/56/06/987295606.db2.gz BRDUIHXPXGSTFI-MXWKQRLJSA-N 1 3 200.326 1.007 20 0 BDADHO [NH3+][C@@H]1CCCN(C[C@@H](O)c2ccccc2)CC1 ZINC001246017024 987304210 /nfs/dbraw/zinc/30/42/10/987304210.db2.gz PRHQDNGGTXOQGI-ZIAGYGMSSA-N 1 3 234.343 1.533 20 0 BDADHO N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC001246021131 987307749 /nfs/dbraw/zinc/30/77/49/987307749.db2.gz VIPNVLIBEFZNLE-RDBSUJKOSA-N 1 3 234.343 1.580 20 0 BDADHO CCCCC[C@H](O)C[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246045889 987342679 /nfs/dbraw/zinc/34/26/79/987342679.db2.gz LNULWJKFQLYCLQ-AGIUHOORSA-N 1 3 226.364 1.351 20 0 BDADHO CCCCC[C@H](O)C[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246045889 987342687 /nfs/dbraw/zinc/34/26/87/987342687.db2.gz LNULWJKFQLYCLQ-AGIUHOORSA-N 1 3 226.364 1.351 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCNC[C@H]2F)CC1 ZINC001246087459 987383990 /nfs/dbraw/zinc/38/39/90/987383990.db2.gz OINRTHCZVJIKII-OLZOCXBDSA-N 1 3 243.370 1.150 20 0 BDADHO CC(C)OCC[C@@H](C)N[C@H]1CC[NH2+]C[C@H]1F ZINC001246096411 987407411 /nfs/dbraw/zinc/40/74/11/987407411.db2.gz MMWLLGQUMFNLOS-UTUOFQBUSA-N 1 3 232.343 1.480 20 0 BDADHO F[C@@H]1CCC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC001246098705 987411826 /nfs/dbraw/zinc/41/18/26/987411826.db2.gz RLZCSHWRLQQORR-HBNTYKKESA-N 1 3 200.301 1.466 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)CCN1 ZINC001246101013 987422986 /nfs/dbraw/zinc/42/29/86/987422986.db2.gz YNGZDBQYGCWQOJ-FIQHERPVSA-N 1 3 214.328 1.855 20 0 BDADHO CO[C@@H]1CCC[C@H](NC[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246103227 987428898 /nfs/dbraw/zinc/42/88/98/987428898.db2.gz GSGOTMNTIBRBPA-XJFOESAGSA-N 1 3 240.391 1.922 20 0 BDADHO C1C[C@H]2CC(N[C@H]3CCC[NH2+]C3)C[C@@H]1O2 ZINC001246122046 987467215 /nfs/dbraw/zinc/46/72/15/987467215.db2.gz DZRJJKDGPSGXLK-YEJSDXFRSA-N 1 3 210.321 1.038 20 0 BDADHO CCOC1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246129069 987475625 /nfs/dbraw/zinc/47/56/25/987475625.db2.gz GCKGMZYBKWQIQO-BPCQOVAHSA-N 1 3 238.375 1.676 20 0 BDADHO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246133422 987486607 /nfs/dbraw/zinc/48/66/07/987486607.db2.gz NXHWYFSATUPRNO-UTUOFQBUSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)CCC[C@@H](C)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150227 987508039 /nfs/dbraw/zinc/50/80/39/987508039.db2.gz VQOAZEABGWYCGE-YIYPIFLZSA-N 1 3 240.391 1.778 20 0 BDADHO Fc1ccc(OCC[NH2+][C@@H]2CCCNC2)cc1 ZINC001246165073 987526266 /nfs/dbraw/zinc/52/62/66/987526266.db2.gz FCENVWPYBIPXQD-GFCCVEGCSA-N 1 3 238.306 1.546 20 0 BDADHO CCOC(CCCN[C@H]1CCC[NH2+]C1)OCC ZINC001246163834 987529681 /nfs/dbraw/zinc/52/96/81/987529681.db2.gz KRVDBXGROJXMPJ-LBPRGKRZSA-N 1 3 244.379 1.507 20 0 BDADHO C[C@H]1C[C@H](Nc2cccc(F)c2CN)CC[NH2+]1 ZINC001246173823 987537102 /nfs/dbraw/zinc/53/71/02/987537102.db2.gz VTUTWHIRYGSFSZ-VHSXEESVSA-N 1 3 237.322 1.837 20 0 BDADHO CCOC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246191981 987576950 /nfs/dbraw/zinc/57/69/50/987576950.db2.gz CTIUHXMQCMSPSR-WSMDXJOWSA-N 1 3 240.347 1.201 20 0 BDADHO NCc1nn([C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC001246197786 987592230 /nfs/dbraw/zinc/59/22/30/987592230.db2.gz AOOODVVQOTYYEJ-SNVBAGLBSA-N 1 3 230.315 1.420 20 0 BDADHO COc1cc(CCN[C@@H]2CC[NH2+][C@@H](C)C2)ccn1 ZINC001246241145 987642800 /nfs/dbraw/zinc/64/28/00/987642800.db2.gz QLTKOOSXJDPIBM-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO COc1cc(CC[NH2+][C@@H]2CCN[C@@H](C)C2)ccn1 ZINC001246241145 987642804 /nfs/dbraw/zinc/64/28/04/987642804.db2.gz QLTKOOSXJDPIBM-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO CCOC(=O)CCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246243698 987645008 /nfs/dbraw/zinc/64/50/08/987645008.db2.gz LBQMYLGBAYECEP-GFCCVEGCSA-N 1 3 242.363 1.452 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[Si](C)(C)C)CCN1 ZINC001246265526 987658597 /nfs/dbraw/zinc/65/85/97/987658597.db2.gz HULQKPPLNXKXTO-VHSXEESVSA-N 1 3 200.402 1.594 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2Cc3ccccc3CN2)C[NH2+]1 ZINC001246276981 987668854 /nfs/dbraw/zinc/66/88/54/987668854.db2.gz GPKNZODMKIPFGV-UGFHNGPFSA-N 1 3 245.370 1.041 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)NCC[C@H](C)[NH3+] ZINC001246299158 987694015 /nfs/dbraw/zinc/69/40/15/987694015.db2.gz GGHWJTARUQZRSX-QWRGUYRKSA-N 1 3 230.352 1.434 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC1CC[NH2+]CC1 ZINC001246327573 987734067 /nfs/dbraw/zinc/73/40/67/987734067.db2.gz OKQBIAJLMYJFHB-NEPJUHHUSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC001246327573 987734074 /nfs/dbraw/zinc/73/40/74/987734074.db2.gz OKQBIAJLMYJFHB-NEPJUHHUSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCNCC1 ZINC001246345541 987755283 /nfs/dbraw/zinc/75/52/83/987755283.db2.gz FNCAJIFRVYTMJC-LLVKDONJSA-N 1 3 234.343 1.665 20 0 BDADHO CCC1([NH2+][C@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246441248 987790388 /nfs/dbraw/zinc/79/03/88/987790388.db2.gz LOQYJJRYHNJYOR-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO FC1(F)CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246444642 987791347 /nfs/dbraw/zinc/79/13/47/987791347.db2.gz KOYYXXZQFAGDRF-SECBINFHSA-N 1 3 216.275 1.516 20 0 BDADHO FC1(F)CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246444642 987791353 /nfs/dbraw/zinc/79/13/53/987791353.db2.gz KOYYXXZQFAGDRF-SECBINFHSA-N 1 3 216.275 1.516 20 0 BDADHO Fc1ccc(C2(CNC3CC[NH2+]CC3)CC2)nc1 ZINC001246439959 987798395 /nfs/dbraw/zinc/79/83/95/987798395.db2.gz DBLKZRCNUUUNCE-UHFFFAOYSA-N 1 3 249.333 1.594 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CCN1 ZINC001246446275 987804773 /nfs/dbraw/zinc/80/47/73/987804773.db2.gz LXQJHVBRDOUBEF-WFASDCNBSA-N 1 3 248.370 1.452 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21)C1CC1 ZINC001474756353 987819259 /nfs/dbraw/zinc/81/92/59/987819259.db2.gz CVCBODRNAKOLIH-XYJRDEOASA-N 1 3 208.349 1.715 20 0 BDADHO COC(=O)[C@H]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246499422 987853728 /nfs/dbraw/zinc/85/37/28/987853728.db2.gz YDLHFUPTYDIEFY-NOOOWODRSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC001246499422 987853732 /nfs/dbraw/zinc/85/37/32/987853732.db2.gz YDLHFUPTYDIEFY-NOOOWODRSA-N 1 3 240.347 1.058 20 0 BDADHO CCCC[C@H](CCC)N1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246537871 987896750 /nfs/dbraw/zinc/89/67/50/987896750.db2.gz DRALCXUBEFUXIS-FRRDWIJNSA-N 1 3 228.380 1.739 20 0 BDADHO CCOC(=O)CC[C@H](C)N1CCC[C@H]([NH3+])CC1 ZINC001246539204 987904236 /nfs/dbraw/zinc/90/42/36/987904236.db2.gz CNRODPLDRFNTPW-RYUDHWBXSA-N 1 3 242.363 1.531 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543101 987909997 /nfs/dbraw/zinc/90/99/97/987909997.db2.gz TVLOEZJUKZTTEZ-QJPTWQEYSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543101 987910002 /nfs/dbraw/zinc/91/00/02/987910002.db2.gz TVLOEZJUKZTTEZ-QJPTWQEYSA-N 1 3 212.337 1.367 20 0 BDADHO CC[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552705 987952411 /nfs/dbraw/zinc/95/24/11/987952411.db2.gz YXKZYXSYCOMAKD-WRWGMCAJSA-N 1 3 212.337 1.366 20 0 BDADHO CC(C)OCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246565712 988015156 /nfs/dbraw/zinc/01/51/56/988015156.db2.gz PQDKWVVXNXYRAG-UPJWGTAASA-N 1 3 228.380 1.859 20 0 BDADHO CC(C)OCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246565712 988015170 /nfs/dbraw/zinc/01/51/70/988015170.db2.gz PQDKWVVXNXYRAG-UPJWGTAASA-N 1 3 228.380 1.859 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246567664 988025206 /nfs/dbraw/zinc/02/52/06/988025206.db2.gz NJEJPQCEZOIWKV-RMPHRYRLSA-N 1 3 208.349 1.700 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(CF)C2)CCN1 ZINC001246573973 988069214 /nfs/dbraw/zinc/06/92/14/988069214.db2.gz HEACTTYDCUMSDT-IJLUTSLNSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(CF)C2)CCN1 ZINC001246573973 988069231 /nfs/dbraw/zinc/06/92/31/988069231.db2.gz HEACTTYDCUMSDT-IJLUTSLNSA-N 1 3 214.328 1.808 20 0 BDADHO CCCCCC[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246578205 988090412 /nfs/dbraw/zinc/09/04/12/988090412.db2.gz GTCPLXZXBROAEL-BFHYXJOUSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246578205 988090428 /nfs/dbraw/zinc/09/04/28/988090428.db2.gz GTCPLXZXBROAEL-BFHYXJOUSA-N 1 3 242.407 1.987 20 0 BDADHO CCN1CCC([N@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001246578735 988097221 /nfs/dbraw/zinc/09/72/21/988097221.db2.gz BUYVQBCQBNHQGS-OLZOCXBDSA-N 1 3 243.370 1.232 20 0 BDADHO CCN1CCC([N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001246578735 988097235 /nfs/dbraw/zinc/09/72/35/988097235.db2.gz BUYVQBCQBNHQGS-OLZOCXBDSA-N 1 3 243.370 1.232 20 0 BDADHO COC[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246579093 988102293 /nfs/dbraw/zinc/10/22/93/988102293.db2.gz APQYYBLZDVJQJE-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246579093 988102308 /nfs/dbraw/zinc/10/23/08/988102308.db2.gz APQYYBLZDVJQJE-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246581991 988109099 /nfs/dbraw/zinc/10/90/99/988109099.db2.gz LYSFVZJDJXJBQH-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246581991 988109115 /nfs/dbraw/zinc/10/91/15/988109115.db2.gz LYSFVZJDJXJBQH-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583029 988124469 /nfs/dbraw/zinc/12/44/69/988124469.db2.gz IJRSNOVVRGQGIN-XDQVBPFNSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583029 988124482 /nfs/dbraw/zinc/12/44/82/988124482.db2.gz IJRSNOVVRGQGIN-XDQVBPFNSA-N 1 3 242.407 1.699 20 0 BDADHO CC1(C)CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246582992 988125481 /nfs/dbraw/zinc/12/54/81/988125481.db2.gz IADOLAGIJZQHPL-CMPLNLGQSA-N 1 3 226.364 1.207 20 0 BDADHO CC1(C)CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246582992 988125491 /nfs/dbraw/zinc/12/54/91/988125491.db2.gz IADOLAGIJZQHPL-CMPLNLGQSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586559 988141722 /nfs/dbraw/zinc/14/17/22/988141722.db2.gz RGSBJDUSWQZTGG-MROQNXINSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586559 988141736 /nfs/dbraw/zinc/14/17/36/988141736.db2.gz RGSBJDUSWQZTGG-MROQNXINSA-N 1 3 240.391 1.453 20 0 BDADHO C[NH2+][C@H](C)CCNC(=O)[C@@H](N)C1CCCCC1 ZINC001118256390 988154807 /nfs/dbraw/zinc/15/48/07/988154807.db2.gz SCGSYNHBBFAKES-PWSUYJOCSA-N 1 3 241.379 1.008 20 0 BDADHO CC1(C[NH3+])CN([C@@H]2CCOC(C)(C)C2)C1 ZINC001246600662 988209058 /nfs/dbraw/zinc/20/90/58/988209058.db2.gz UBZGNYVATSMBPO-SNVBAGLBSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609700 988231352 /nfs/dbraw/zinc/23/13/52/988231352.db2.gz MSMAHNJHACJBHL-MJBXVCDLSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609700 988231371 /nfs/dbraw/zinc/23/13/71/988231371.db2.gz MSMAHNJHACJBHL-MJBXVCDLSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@H](N2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609700 988231395 /nfs/dbraw/zinc/23/13/95/988231395.db2.gz MSMAHNJHACJBHL-MJBXVCDLSA-N 1 3 238.375 1.772 20 0 BDADHO C1CC12CCC(N1CCN[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001246637873 988329115 /nfs/dbraw/zinc/32/91/15/988329115.db2.gz AEICSNSHEFBGKO-OAHLLOKOSA-N 1 3 249.402 1.347 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N3CCN[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645349 988362693 /nfs/dbraw/zinc/36/26/93/988362693.db2.gz UMPMPPXRRSZKEW-QVHKTLOISA-N 1 3 249.402 1.058 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645516 988363754 /nfs/dbraw/zinc/36/37/54/988363754.db2.gz BYHCNMRWUGTRTL-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645516 988363766 /nfs/dbraw/zinc/36/37/66/988363766.db2.gz BYHCNMRWUGTRTL-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]1C[C@H](N2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645516 988363781 /nfs/dbraw/zinc/36/37/81/988363781.db2.gz BYHCNMRWUGTRTL-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N3CCN[C@@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645346 988364171 /nfs/dbraw/zinc/36/41/71/988364171.db2.gz UMPMPPXRRSZKEW-GUIRCDHDSA-N 1 3 249.402 1.058 20 0 BDADHO CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001322683245 988366407 /nfs/dbraw/zinc/36/64/07/988366407.db2.gz PUHWDPKZNMYKTP-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO C1C[C@@H]2CC[N@@H+]([C@H]3CCCNC3)C[C@@H]2C1 ZINC001246657437 988382356 /nfs/dbraw/zinc/38/23/56/988382356.db2.gz QMAHJCPQQJIMTA-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C1C[C@@H]2CC[N@H+]([C@H]3CCCNC3)C[C@@H]2C1 ZINC001246657437 988382364 /nfs/dbraw/zinc/38/23/64/988382364.db2.gz QMAHJCPQQJIMTA-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H](N2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670077 988412036 /nfs/dbraw/zinc/41/20/36/988412036.db2.gz WFFAZSYEPLDAFS-DBIOUOCHSA-N 1 3 246.301 1.093 20 0 BDADHO C[C@@H]1C[C@@H](N2C[C@H](C)N(C)C[C@H]2C)CC[NH2+]1 ZINC001246687613 988435934 /nfs/dbraw/zinc/43/59/34/988435934.db2.gz AWJJZOAAYKLIJU-XQHKEYJVSA-N 1 3 225.380 1.151 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(C)C)N(C)C ZINC001498115102 988454865 /nfs/dbraw/zinc/45/48/65/988454865.db2.gz OFZGWKCVZFAQEX-RYUDHWBXSA-N 1 3 243.395 1.077 20 0 BDADHO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC001246850911 988566998 /nfs/dbraw/zinc/56/69/98/988566998.db2.gz KCHXQFSJADVJCY-CYZMBNFOSA-N 1 3 224.348 1.428 20 0 BDADHO CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC001246850911 988567001 /nfs/dbraw/zinc/56/70/01/988567001.db2.gz KCHXQFSJADVJCY-CYZMBNFOSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]12 ZINC001246854537 988568242 /nfs/dbraw/zinc/56/82/42/988568242.db2.gz PZZRAWNOMBXRMQ-KSSYENDESA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CCN[C@@H](C)C3)C[C@H]12 ZINC001246854537 988568246 /nfs/dbraw/zinc/56/82/46/988568246.db2.gz PZZRAWNOMBXRMQ-KSSYENDESA-N 1 3 224.348 1.094 20 0 BDADHO Cc1nc2c(n1[C@@H]1CC[NH2+][C@@H](C)C1)CNCC2 ZINC001246860352 988601740 /nfs/dbraw/zinc/60/17/40/988601740.db2.gz HSMAHKHNQCCAQS-GXSJLCMTSA-N 1 3 234.347 1.150 20 0 BDADHO F[C@H]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246863315 988614208 /nfs/dbraw/zinc/61/42/08/988614208.db2.gz WKJHOBFUIGINRQ-SJWJYTFFSA-N 1 3 224.323 1.702 20 0 BDADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001503588507 988668361 /nfs/dbraw/zinc/66/83/61/988668361.db2.gz DNJHSCBNMFSYHY-LBPRGKRZSA-N 1 3 243.395 1.221 20 0 BDADHO CN[C@@H]1CCN1[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246901435 988675636 /nfs/dbraw/zinc/67/56/36/988675636.db2.gz XPBFTAJQBMHCDR-UTUOFQBUSA-N 1 3 225.380 1.404 20 0 BDADHO CC[C@@H]1CC(N2CC[C@H]2NC)C[C@@H](CC)[NH2+]1 ZINC001246899913 988675699 /nfs/dbraw/zinc/67/56/99/988675699.db2.gz QWZCISLUGVPGHQ-WZRBSPASSA-N 1 3 225.380 1.547 20 0 BDADHO CC(C)COCC[C@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246918060 988716139 /nfs/dbraw/zinc/71/61/39/988716139.db2.gz TXBVFHLPVSMXBP-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CCN(CCC(=O)OC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246918552 988719039 /nfs/dbraw/zinc/71/90/39/988719039.db2.gz FGPQZOLLUVRGHH-QWRGUYRKSA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@H+](CCC(=O)OC)[C@H]1CCN[C@@H](C)C1 ZINC001246918552 988719074 /nfs/dbraw/zinc/71/90/74/988719074.db2.gz FGPQZOLLUVRGHH-QWRGUYRKSA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@@H+](CCC(=O)OC)[C@H]1CCN[C@@H](C)C1 ZINC001246918552 988719089 /nfs/dbraw/zinc/71/90/89/988719089.db2.gz FGPQZOLLUVRGHH-QWRGUYRKSA-N 1 3 228.336 1.012 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001118932741 988720692 /nfs/dbraw/zinc/72/06/92/988720692.db2.gz CHCKVXWYROSWQG-LPEHRKFASA-N 1 3 200.351 1.019 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC001118932741 988720701 /nfs/dbraw/zinc/72/07/01/988720701.db2.gz CHCKVXWYROSWQG-LPEHRKFASA-N 1 3 200.351 1.019 20 0 BDADHO CC(C)[N@H+](CCCCCO)[C@H]1CCN[C@@H](C)C1 ZINC001246925065 988751378 /nfs/dbraw/zinc/75/13/78/988751378.db2.gz KULQREPLQKLFCQ-KBPBESRZSA-N 1 3 242.407 2.000 20 0 BDADHO CC(C)[N@@H+](CCCCCO)[C@H]1CCN[C@@H](C)C1 ZINC001246925065 988751386 /nfs/dbraw/zinc/75/13/86/988751386.db2.gz KULQREPLQKLFCQ-KBPBESRZSA-N 1 3 242.407 2.000 20 0 BDADHO CC[C@H](N)C[N@H+](C)[C@@H](C)CC(=O)N(CC)CC ZINC001246974792 988806173 /nfs/dbraw/zinc/80/61/73/988806173.db2.gz RAGNYKCNBWGKEG-RYUDHWBXSA-N 1 3 243.395 1.303 20 0 BDADHO CC[C@H](N)C[N@@H+](C)[C@@H](C)CC(=O)N(CC)CC ZINC001246974792 988806177 /nfs/dbraw/zinc/80/61/77/988806177.db2.gz RAGNYKCNBWGKEG-RYUDHWBXSA-N 1 3 243.395 1.303 20 0 BDADHO CC[C@@H]1CC(N2CCNC2)C[C@@H](CC)[NH2+]1 ZINC001246997609 988831172 /nfs/dbraw/zinc/83/11/72/988831172.db2.gz WEXGDFCAPMHJIH-GHMZBOCLSA-N 1 3 211.353 1.158 20 0 BDADHO CCN1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997353 988832126 /nfs/dbraw/zinc/83/21/26/988832126.db2.gz UDPYIDZINOGPTG-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO CCC[C@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC001119237839 988856363 /nfs/dbraw/zinc/85/63/63/988856363.db2.gz NNZNKXJBADQKQX-CYBMUJFWSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H](Cn1cccn1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001119631949 989268206 /nfs/dbraw/zinc/26/82/06/989268206.db2.gz JADZWEXBMOPVLA-BFHYXJOUSA-N 1 3 248.374 1.393 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC001326688133 989653969 /nfs/dbraw/zinc/65/39/69/989653969.db2.gz OYLQGKQWCWHIGD-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001122017897 990186631 /nfs/dbraw/zinc/18/66/31/990186631.db2.gz ZCZMAXDIYXEFHY-USZNOCQGSA-N 1 3 241.379 1.136 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccc(F)nc1)CC2 ZINC001137742804 990846693 /nfs/dbraw/zinc/84/66/93/990846693.db2.gz LBZNCFKVCGZCBO-UHFFFAOYSA-N 1 3 249.333 1.748 20 0 BDADHO CCC[N@H+](CCCN)[C@H](C)CCC(=O)OCC ZINC001258475093 991445145 /nfs/dbraw/zinc/44/51/45/991445145.db2.gz AHBASTQUIILEAL-GFCCVEGCSA-N 1 3 244.379 1.779 20 0 BDADHO CCC[N@@H+](CCCN)[C@H](C)CCC(=O)OCC ZINC001258475093 991445149 /nfs/dbraw/zinc/44/51/49/991445149.db2.gz AHBASTQUIILEAL-GFCCVEGCSA-N 1 3 244.379 1.779 20 0 BDADHO CC[C@H](C(=O)N(C)CC[NH2+]CC(C)C)N(C)C ZINC001317653180 991572040 /nfs/dbraw/zinc/57/20/40/991572040.db2.gz FGLUBSUUYZXCBS-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CCC[NH+]1CCC(N2CC(N(C)C)C2)CC1 ZINC001258771588 991737187 /nfs/dbraw/zinc/73/71/87/991737187.db2.gz KZVXSARFAFGNPJ-UHFFFAOYSA-N 1 3 225.380 1.107 20 0 BDADHO CCC[NH+]1CCC(N2CCN3CC[C@@H]3C2)CC1 ZINC001258777914 991744447 /nfs/dbraw/zinc/74/44/47/991744447.db2.gz NDOPVRPNLHLKLJ-CQSZACIVSA-N 1 3 237.391 1.251 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)n1nncc1CN ZINC001258900355 991893918 /nfs/dbraw/zinc/89/39/18/991893918.db2.gz JWKBQTXDUVQRKC-LLVKDONJSA-N 1 3 239.367 1.420 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H]1COC[C@@H]1F ZINC001258907213 991894384 /nfs/dbraw/zinc/89/43/84/991894384.db2.gz OQZHGXVFUHNROP-FRRDWIJNSA-N 1 3 246.370 1.823 20 0 BDADHO Cn1nc(CNCC2CC[NH2+]CC2)cc1C1CC1 ZINC001574227042 992824855 /nfs/dbraw/zinc/82/48/55/992824855.db2.gz YEBIUJYIEDYEHW-UHFFFAOYSA-N 1 3 248.374 1.387 20 0 BDADHO CC(C)(C[NH3+])CNCc1ccc2nonc2c1 ZINC001575315313 993010106 /nfs/dbraw/zinc/01/01/06/993010106.db2.gz NPGZBWABQKNZSG-UHFFFAOYSA-N 1 3 234.303 1.297 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+]CC[C@@H](O)C1CCCC1 ZINC001575423064 993040738 /nfs/dbraw/zinc/04/07/38/993040738.db2.gz OPJSWQYAZQYPHR-UONOGXRCSA-N 1 3 242.407 1.748 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC001575497662 993058284 /nfs/dbraw/zinc/05/82/84/993058284.db2.gz GCGPTAKFVQPYGX-BJDJZHNGSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)CC1(C)CCN(C[C@](C)(O)C[NH3+])CC1 ZINC001575550086 993070525 /nfs/dbraw/zinc/07/05/25/993070525.db2.gz YGVDHTFYZODDFM-CQSZACIVSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941990 993133885 /nfs/dbraw/zinc/13/38/85/993133885.db2.gz ZJWYPNKFJRBIFU-OSBMCDJTSA-N 1 3 236.359 1.282 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001575940936 993134023 /nfs/dbraw/zinc/13/40/23/993134023.db2.gz FDXIXJHOGIYPBB-JLLWLGSASA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H](CCO)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC001575967388 993144421 /nfs/dbraw/zinc/14/44/21/993144421.db2.gz MXGFJQFHBRDZKE-JSGCOSHPSA-N 1 3 236.359 1.307 20 0 BDADHO C[C@@H](Cc1ccno1)NCCC(C)(C)[NH3+] ZINC001576065088 993166730 /nfs/dbraw/zinc/16/67/30/993166730.db2.gz BSWMGVXQGVSJMZ-VIFPVBQESA-N 1 3 211.309 1.323 20 0 BDADHO CC(C)OC(=O)C[C@@H](NC[C@@H](C)[NH3+])C(C)C ZINC001576158756 993199137 /nfs/dbraw/zinc/19/91/37/993199137.db2.gz JHXPVYVVUDVUAL-GHMZBOCLSA-N 1 3 230.352 1.290 20 0 BDADHO Cc1cccnc1CN1CCCC[C@H](C[NH3+])C1 ZINC000379939630 993295691 /nfs/dbraw/zinc/29/56/91/993295691.db2.gz WYUBNFWCSUNJIF-CYBMUJFWSA-N 1 3 233.359 1.951 20 0 BDADHO CC1(C)OC[C@H](CN2CCCC[C@H]2CC[NH3+])O1 ZINC001576494737 993314138 /nfs/dbraw/zinc/31/41/38/993314138.db2.gz FFWZXTARJOOWCI-RYUDHWBXSA-N 1 3 242.363 1.341 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](N)CCC(C)(C)C ZINC001576572454 993349980 /nfs/dbraw/zinc/34/99/80/993349980.db2.gz LOHLKVNSKYKUKV-UPJWGTAASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](N)CCC(C)(C)C ZINC001576572454 993349983 /nfs/dbraw/zinc/34/99/83/993349983.db2.gz LOHLKVNSKYKUKV-UPJWGTAASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1CCCC[C@@H]1CN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001576689653 993395424 /nfs/dbraw/zinc/39/54/24/993395424.db2.gz DSEBCOGKLPZIHM-POQQGIQPSA-N 1 3 222.376 1.962 20 0 BDADHO C[C@H](O)[C@H]1C[C@H](C)CCN1CCC[NH2+]C1CC1 ZINC001576730987 993409434 /nfs/dbraw/zinc/40/94/34/993409434.db2.gz BPRBWXUQKRSAAB-MBNYWOFBSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@H](C)[C@](C)(O)CNC[C@@H]([NH3+])CC(F)F ZINC001576962640 993467398 /nfs/dbraw/zinc/46/73/98/993467398.db2.gz UIRKZQRYMYPEEP-ATZCPNFKSA-N 1 3 238.322 1.356 20 0 BDADHO C[C@@H]1CN(CC23CC(C)(C2)OC3)CC[C@@H]1[NH3+] ZINC001576801684 993428162 /nfs/dbraw/zinc/42/81/62/993428162.db2.gz SWVNYJYLQZXZOL-IALDZJHCSA-N 1 3 224.348 1.225 20 0 BDADHO CC[C@@](C)(CNC[C@H]([NH3+])CC(F)(F)F)OC ZINC001576949797 993464390 /nfs/dbraw/zinc/46/43/90/993464390.db2.gz QPUMIRZCUKQKHB-BDAKNGLRSA-N 1 3 242.285 1.671 20 0 BDADHO CC[C@@](C)(O)CN1C2CCC1(C[NH3+])CC2 ZINC001576961643 993467094 /nfs/dbraw/zinc/46/70/94/993467094.db2.gz VPZIWUWOKCUZON-MOENNCHZSA-N 1 3 212.337 1.103 20 0 BDADHO CC[C@H](C)C[C@H](CO)NC[C@H]([NH3+])CC(F)F ZINC001576971906 993477540 /nfs/dbraw/zinc/47/75/40/993477540.db2.gz RVULCRRMSLTDKS-IVZWLZJFSA-N 1 3 238.322 1.356 20 0 BDADHO CC[C@@H](C)[C@@H](CN[C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973660 993477557 /nfs/dbraw/zinc/47/75/57/993477557.db2.gz YGSQWFXBDMAIDF-CHWFTXMASA-N 1 3 200.326 1.127 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@H](C)C[S@@](C)=O ZINC001577051831 993488705 /nfs/dbraw/zinc/48/87/05/993488705.db2.gz AKOQUVIUFYPHMV-MEBBXXQBSA-N 1 3 234.409 1.108 20 0 BDADHO CCC(CC)(CN)C[NH2+]C[C@]1(OC)CCOC1 ZINC001577051919 993489822 /nfs/dbraw/zinc/48/98/22/993489822.db2.gz GGMTUMNRKBSDOT-CYBMUJFWSA-N 1 3 244.379 1.147 20 0 BDADHO CCC(CC)(CC(=O)OC)NC[C@H](C)[NH3+] ZINC001577049701 993490221 /nfs/dbraw/zinc/49/02/21/993490221.db2.gz AIJCKBOPAXKDGJ-VIFPVBQESA-N 1 3 216.325 1.045 20 0 BDADHO CC[C@@H](CNC1CC([NH3+])C1)C(=O)OC(C)(C)C ZINC001577089837 993498709 /nfs/dbraw/zinc/49/87/09/993498709.db2.gz NKJKOCYTVCYIQB-WHXUTIOJSA-N 1 3 242.363 1.434 20 0 BDADHO CC[C@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC001577241211 993556656 /nfs/dbraw/zinc/55/66/56/993556656.db2.gz ROFRVTXYAMURML-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@H]1[C@H](CO)CC[N@H+]1C[C@@H]1CCCNC1 ZINC001577241211 993556664 /nfs/dbraw/zinc/55/66/64/993556664.db2.gz ROFRVTXYAMURML-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc(N)n1 ZINC001333601740 994484175 /nfs/dbraw/zinc/48/41/75/994484175.db2.gz JZQHQMCYQHPPPX-QWRGUYRKSA-N 1 3 249.362 1.652 20 0 BDADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]C(C)C)N(C)C ZINC001492113848 995020780 /nfs/dbraw/zinc/02/07/80/995020780.db2.gz XSAASABKMQFYBN-NEPJUHHUSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H](O)[C@H](C)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040230 995530848 /nfs/dbraw/zinc/53/08/48/995530848.db2.gz KLOLVBQWNACVRO-AVGNSLFASA-N 1 3 249.358 1.361 20 0 BDADHO CC(C)(CO)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000161270302 538915086 /nfs/dbraw/zinc/91/50/86/538915086.db2.gz NCSDYTDOAZFUMM-UHFFFAOYSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)(CO)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000161270302 538915087 /nfs/dbraw/zinc/91/50/87/538915087.db2.gz NCSDYTDOAZFUMM-UHFFFAOYSA-N 1 3 242.407 1.857 20 0 BDADHO C[N@H+](CCCN1CCCC1)[C@@H]1CCOC1 ZINC000161712472 349489585 /nfs/dbraw/zinc/48/95/85/349489585.db2.gz WGUUDUGLNSJTBR-GFCCVEGCSA-N 1 3 212.337 1.193 20 0 BDADHO C[N@@H+](CCCN1CCCC1)[C@@H]1CCOC1 ZINC000161712472 349489589 /nfs/dbraw/zinc/48/95/89/349489589.db2.gz WGUUDUGLNSJTBR-GFCCVEGCSA-N 1 3 212.337 1.193 20 0 BDADHO C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCCOCC3)CCN2C1 ZINC000157464999 136213786 /nfs/dbraw/zinc/21/37/86/136213786.db2.gz KVJXTTURKVJTNR-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000379805619 398168277 /nfs/dbraw/zinc/16/82/77/398168277.db2.gz NXRNJNKXZXYOLY-RQJABVFESA-N 1 3 238.375 1.615 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000379805619 398168280 /nfs/dbraw/zinc/16/82/80/398168280.db2.gz NXRNJNKXZXYOLY-RQJABVFESA-N 1 3 238.375 1.615 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835305 398170465 /nfs/dbraw/zinc/17/04/65/398170465.db2.gz DIRPBVWDSLQMJO-HHTDUIENSA-N 1 3 240.391 1.645 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944066 398160226 /nfs/dbraw/zinc/16/02/26/398160226.db2.gz RKVXBKUNNZGNCA-OLZOCXBDSA-N 1 3 238.306 1.674 20 0 BDADHO CS[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422943904 398160299 /nfs/dbraw/zinc/16/02/99/398160299.db2.gz ZBIDJIGXOSGATB-GKDVJIACSA-N 1 3 214.378 1.611 20 0 BDADHO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000422976750 398161037 /nfs/dbraw/zinc/16/10/37/398161037.db2.gz IXLINWAGASNMSG-WHOHXGKFSA-N 1 3 246.420 1.219 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCCSC1)CN(C)C ZINC000308588399 398161652 /nfs/dbraw/zinc/16/16/52/398161652.db2.gz UATZGVUMTMKDEV-WDEREUQCSA-N 1 3 216.394 1.669 20 0 BDADHO OC[C@@H](CC1CCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000423022696 398162297 /nfs/dbraw/zinc/16/22/97/398162297.db2.gz IEXIUSZEVLFIDS-UONOGXRCSA-N 1 3 240.391 1.659 20 0 BDADHO OC[C@@H](CC1CCCC1)[NH2+][C@H]1CCCNCC1 ZINC000423022696 398162301 /nfs/dbraw/zinc/16/23/01/398162301.db2.gz IEXIUSZEVLFIDS-UONOGXRCSA-N 1 3 240.391 1.659 20 0 BDADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccccn1 ZINC000423174550 398164253 /nfs/dbraw/zinc/16/42/53/398164253.db2.gz BAGSFUTTWQZVOE-CYBMUJFWSA-N 1 3 248.374 1.028 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1C ZINC000396714363 398167003 /nfs/dbraw/zinc/16/70/03/398167003.db2.gz QPOQORHKYYHOGG-RVMXOQNASA-N 1 3 225.380 1.199 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN[C@H]2C)CCN1C ZINC000396714368 398167280 /nfs/dbraw/zinc/16/72/80/398167280.db2.gz QPOQORHKYYHOGG-XQHKEYJVSA-N 1 3 225.380 1.199 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)C[C@H](O)C1CC1 ZINC000162562017 538923596 /nfs/dbraw/zinc/92/35/96/538923596.db2.gz YFMNHFXIYORCQM-OLZOCXBDSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)C[C@H](O)C1CC1 ZINC000162562017 538923597 /nfs/dbraw/zinc/92/35/97/538923597.db2.gz YFMNHFXIYORCQM-OLZOCXBDSA-N 1 3 226.364 1.173 20 0 BDADHO CC[NH+]1CCC(NCCc2cnccn2)CC1 ZINC000341871880 365528415 /nfs/dbraw/zinc/52/84/15/365528415.db2.gz GEIHTKPSCUGAAL-UHFFFAOYSA-N 1 3 234.347 1.093 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CNC1 ZINC000647800523 398206016 /nfs/dbraw/zinc/20/60/16/398206016.db2.gz DTPXBQISVBQRLM-UXIGCNINSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000647800523 398206022 /nfs/dbraw/zinc/20/60/22/398206022.db2.gz DTPXBQISVBQRLM-UXIGCNINSA-N 1 3 230.355 1.988 20 0 BDADHO C([NH2+]C[C@@H]1CCCNC1)[C@@H]1CCSC1 ZINC000228553595 192027937 /nfs/dbraw/zinc/02/79/37/192027937.db2.gz HMMGFFJMGPRJKK-MNOVXSKESA-N 1 3 214.378 1.329 20 0 BDADHO C[C@H](CCc1ccccc1)NC[C@H](C)[NH3+] ZINC000199981060 398217018 /nfs/dbraw/zinc/21/70/18/398217018.db2.gz IJWHTFRKNCJMNR-NWDGAFQWSA-N 1 3 206.333 1.945 20 0 BDADHO Cc1n[nH]cc1[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000643512131 398224518 /nfs/dbraw/zinc/22/45/18/398224518.db2.gz QQNZCNVMIWRCMA-UFGOTCBOSA-N 1 3 236.363 1.886 20 0 BDADHO C(CN1CCO[C@H]2CCCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000250820650 187330674 /nfs/dbraw/zinc/33/06/74/187330674.db2.gz GBAISRMOYHXHFL-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO Cc1cc(N[C@@H](C)CN2CCN(C)CC2)cc[nH+]1 ZINC000274938810 178178726 /nfs/dbraw/zinc/17/87/26/178178726.db2.gz SMZCEFNNCISDJS-ZDUSSCGKSA-N 1 3 248.374 1.438 20 0 BDADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430764837 398230820 /nfs/dbraw/zinc/23/08/20/398230820.db2.gz UDIVDUDBZVDEGY-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430764837 398230823 /nfs/dbraw/zinc/23/08/23/398230823.db2.gz UDIVDUDBZVDEGY-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccncc1 ZINC000344298622 365679171 /nfs/dbraw/zinc/67/91/71/365679171.db2.gz CRGNZAJZXPLPGU-LBPRGKRZSA-N 1 3 231.343 1.994 20 0 BDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccncc1 ZINC000344298622 365679175 /nfs/dbraw/zinc/67/91/75/365679175.db2.gz CRGNZAJZXPLPGU-LBPRGKRZSA-N 1 3 231.343 1.994 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CN(C)C ZINC000378758786 346826423 /nfs/dbraw/zinc/82/64/23/346826423.db2.gz ZQEFCAFWKBNHEK-RVMXOQNASA-N 1 3 210.365 1.962 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@@H]1CCSC1 ZINC000166561305 361851821 /nfs/dbraw/zinc/85/18/21/361851821.db2.gz CWVXEXUWRWFVEP-LLVKDONJSA-N 1 3 216.394 1.812 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@@H]1CCSC1 ZINC000166561305 361851826 /nfs/dbraw/zinc/85/18/26/361851826.db2.gz CWVXEXUWRWFVEP-LLVKDONJSA-N 1 3 216.394 1.812 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCSC1 ZINC000166561305 361851830 /nfs/dbraw/zinc/85/18/30/361851830.db2.gz CWVXEXUWRWFVEP-LLVKDONJSA-N 1 3 216.394 1.812 20 0 BDADHO OCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000183231812 538966057 /nfs/dbraw/zinc/96/60/57/538966057.db2.gz IBBWNTPQGNSYEY-QWHCGFSZSA-N 1 3 238.375 1.365 20 0 BDADHO OCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000183231812 538966059 /nfs/dbraw/zinc/96/60/59/538966059.db2.gz IBBWNTPQGNSYEY-QWHCGFSZSA-N 1 3 238.375 1.365 20 0 BDADHO C[N@H+](C[C@@H](O)CNCC1=CCCCC1)C1CC1 ZINC000379757555 361868448 /nfs/dbraw/zinc/86/84/48/361868448.db2.gz ZECGCELGGUGKFJ-AWEZNQCLSA-N 1 3 238.375 1.532 20 0 BDADHO C[N@@H+](C[C@@H](O)CNCC1=CCCCC1)C1CC1 ZINC000379757555 361868452 /nfs/dbraw/zinc/86/84/52/361868452.db2.gz ZECGCELGGUGKFJ-AWEZNQCLSA-N 1 3 238.375 1.532 20 0 BDADHO Cc1cc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000581835023 342811302 /nfs/dbraw/zinc/81/13/02/342811302.db2.gz KCSRZMZPSISTMV-GHMZBOCLSA-N 1 3 223.320 1.385 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCCO1)C2 ZINC000382493188 361950769 /nfs/dbraw/zinc/95/07/69/361950769.db2.gz OCNXGWYRISNXKY-IHRRRGAJSA-N 1 3 238.375 1.616 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000382493188 361950775 /nfs/dbraw/zinc/95/07/75/361950775.db2.gz OCNXGWYRISNXKY-IHRRRGAJSA-N 1 3 238.375 1.616 20 0 BDADHO c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633525 136241814 /nfs/dbraw/zinc/24/18/14/136241814.db2.gz IYFFDWFRSNFCQM-NEPJUHHUSA-N 1 3 234.347 1.231 20 0 BDADHO CN(CCC[NH3+])CC[C@@H]1CCCCO1 ZINC000382082874 398304796 /nfs/dbraw/zinc/30/47/96/398304796.db2.gz QNZCQNVNSSNSBC-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO Cc1ccncc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000167244004 136245206 /nfs/dbraw/zinc/24/52/06/136245206.db2.gz AEMMCIHIJDJJRO-AAEUAGOBSA-N 1 3 219.332 1.607 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004475 342900353 /nfs/dbraw/zinc/90/03/53/342900353.db2.gz LYVPREKAMZYCSC-NNYUYHANSA-N 1 3 220.316 1.995 20 0 BDADHO CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000308588452 259340372 /nfs/dbraw/zinc/34/03/72/259340372.db2.gz UDPNAGMVFQRCMR-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@@H]1CCOC1 ZINC000305250994 529620897 /nfs/dbraw/zinc/62/08/97/529620897.db2.gz HLBSECYRTHQGMQ-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CCC([NH2+]C[C@H](C)N(C)C)CC1 ZINC000038088995 343059206 /nfs/dbraw/zinc/05/92/06/343059206.db2.gz VABNZVFLXNZDMO-NSHDSACASA-N 1 3 213.369 1.010 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCc1ccncc1 ZINC000576834446 365699279 /nfs/dbraw/zinc/69/92/79/365699279.db2.gz LCCSOBDYMVZVSV-TZMCWYRMSA-N 1 3 233.359 1.826 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCCO1 ZINC000042821782 362026806 /nfs/dbraw/zinc/02/68/06/362026806.db2.gz PKPAUSDVZPNXOB-WOPDTQHZSA-N 1 3 212.337 1.367 20 0 BDADHO C(CN1CCCC1)[NH2+]C1CCN(C2CC2)CC1 ZINC000336704588 187231524 /nfs/dbraw/zinc/23/15/24/187231524.db2.gz KXDZTQXITYEBNZ-UHFFFAOYSA-N 1 3 237.391 1.299 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOCC(F)F)C1 ZINC000236293964 343088892 /nfs/dbraw/zinc/08/88/92/343088892.db2.gz XTJXZXAHMCGNOP-BDAKNGLRSA-N 1 3 222.279 1.128 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1CCOC1 ZINC000158484433 343200770 /nfs/dbraw/zinc/20/07/70/343200770.db2.gz VEAWRATWVCGNFD-FIQHERPVSA-N 1 3 212.337 1.271 20 0 BDADHO COC[C@H](C)CN(C)CC[C@H]([NH3+])C(C)C ZINC000163553010 343206698 /nfs/dbraw/zinc/20/66/98/343206698.db2.gz AKTLJMIKFZKEHB-NEPJUHHUSA-N 1 3 216.369 1.574 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCC[C@@H]3C[NH2+]CC[C@@H]32)O1 ZINC000634688510 343247947 /nfs/dbraw/zinc/24/79/47/343247947.db2.gz VBFUBPYLCHSQQP-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)O1 ZINC000634688510 343247948 /nfs/dbraw/zinc/24/79/48/343247948.db2.gz VBFUBPYLCHSQQP-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3CNCC[C@@H]32)O1 ZINC000634688510 343247949 /nfs/dbraw/zinc/24/79/49/343247949.db2.gz VBFUBPYLCHSQQP-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H](COC)NCC(C)(C)C[NH+](C)C ZINC000070623655 343335861 /nfs/dbraw/zinc/33/58/61/343335861.db2.gz PIQOBFRBDKAWIU-NSHDSACASA-N 1 3 216.369 1.589 20 0 BDADHO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNC2 ZINC000335653880 136305932 /nfs/dbraw/zinc/30/59/32/136305932.db2.gz ODJMXOJTMJXPFG-GFCCVEGCSA-N 1 3 245.326 1.370 20 0 BDADHO CC[NH+](CC)Cc1ccc(CNC(=O)CN)cc1 ZINC000040833159 343410027 /nfs/dbraw/zinc/41/00/27/343410027.db2.gz NZKGNUBVUZRDOJ-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400338069 529711832 /nfs/dbraw/zinc/71/18/32/529711832.db2.gz HYOCWSNXJRFILL-BJDJZHNGSA-N 1 3 214.353 1.124 20 0 BDADHO COCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247977545 136373457 /nfs/dbraw/zinc/37/34/57/136373457.db2.gz HZDYTZCEUBXQIZ-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO COCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247977545 136373458 /nfs/dbraw/zinc/37/34/58/136373458.db2.gz HZDYTZCEUBXQIZ-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CSC[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261542347 136374376 /nfs/dbraw/zinc/37/43/76/136374376.db2.gz GSWVJVZDUFGBSN-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C(CN1CCN([C@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000398662623 488221632 /nfs/dbraw/zinc/22/16/32/488221632.db2.gz PARSVPOGHQBLDU-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO C[C@H](O)C[N@H+](CCCN)C1CCCCC1 ZINC000083676397 343495598 /nfs/dbraw/zinc/49/55/98/343495598.db2.gz RKZWFTZBGGQNCW-NSHDSACASA-N 1 3 214.353 1.351 20 0 BDADHO C[C@H](O)C[N@@H+](CCCN)C1CCCCC1 ZINC000083676397 343495599 /nfs/dbraw/zinc/49/55/99/343495599.db2.gz RKZWFTZBGGQNCW-NSHDSACASA-N 1 3 214.353 1.351 20 0 BDADHO CC[NH2+]CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000580562678 365760241 /nfs/dbraw/zinc/76/02/41/365760241.db2.gz XDBZBJPCIFEMNC-UHFFFAOYSA-N 1 3 247.342 1.019 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044500606 343504306 /nfs/dbraw/zinc/50/43/06/343504306.db2.gz JGYSYZXSKHNGMC-MNOVXSKESA-N 1 3 224.352 1.411 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CNCC2=CCCOC2)C1 ZINC000379584274 343577840 /nfs/dbraw/zinc/57/78/40/343577840.db2.gz ULUYCBHBOAMSCN-ZDUSSCGKSA-N 1 3 238.375 1.653 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CNCC2=CCCOC2)C1 ZINC000379584274 343577842 /nfs/dbraw/zinc/57/78/42/343577842.db2.gz ULUYCBHBOAMSCN-ZDUSSCGKSA-N 1 3 238.375 1.653 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000379584274 343577844 /nfs/dbraw/zinc/57/78/44/343577844.db2.gz ULUYCBHBOAMSCN-ZDUSSCGKSA-N 1 3 238.375 1.653 20 0 BDADHO CCN1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@H](C)C1 ZINC000624257621 343619780 /nfs/dbraw/zinc/61/97/80/343619780.db2.gz KMIKIVDLTZEVCS-YPMHNXCESA-N 1 3 249.358 1.607 20 0 BDADHO CCCCN(CCO)C[C@@H]1CCC[NH2+]C1 ZINC000087647799 343656129 /nfs/dbraw/zinc/65/61/29/343656129.db2.gz BLVFEYFFQZCQSS-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CCCC[N@H+](CCO)C[C@@H]1CCCNC1 ZINC000087647799 343656131 /nfs/dbraw/zinc/65/61/31/343656131.db2.gz BLVFEYFFQZCQSS-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CCCC[N@@H+](CCO)C[C@@H]1CCCNC1 ZINC000087647799 343656133 /nfs/dbraw/zinc/65/61/33/343656133.db2.gz BLVFEYFFQZCQSS-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CC[C@@H](NCCOCC[NH3+])c1c(C)noc1C ZINC000570451265 323059928 /nfs/dbraw/zinc/05/99/28/323059928.db2.gz CHFHTTHFPVKOPM-LLVKDONJSA-N 1 3 241.335 1.307 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@H]21)C1CC[NH2+]CC1 ZINC000043425691 187354592 /nfs/dbraw/zinc/35/45/92/187354592.db2.gz RDXMTKJGSMBUBN-KGLIPLIRSA-N 1 3 238.375 1.629 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000621785041 343908312 /nfs/dbraw/zinc/90/83/12/343908312.db2.gz YCGDLSLHVNDTDB-NDKCEZKHSA-N 1 3 220.360 1.846 20 0 BDADHO COC(=O)CCCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000600708209 344360620 /nfs/dbraw/zinc/36/06/20/344360620.db2.gz DOAJRFRZNZYDBU-NWDGAFQWSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000600708209 344360622 /nfs/dbraw/zinc/36/06/22/344360622.db2.gz DOAJRFRZNZYDBU-NWDGAFQWSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000600708209 344360624 /nfs/dbraw/zinc/36/06/24/344360624.db2.gz DOAJRFRZNZYDBU-NWDGAFQWSA-N 1 3 242.363 1.246 20 0 BDADHO CC[C@H]1CN(CCCCC(=O)OC)CC[C@H]1[NH3+] ZINC000600709270 344361092 /nfs/dbraw/zinc/36/10/92/344361092.db2.gz IBDBCZHFLRJOPW-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO C(NC[C@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000042825215 344468807 /nfs/dbraw/zinc/46/88/07/344468807.db2.gz WINJCAJZPZFHCO-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO C([NH2+]C[C@H]1CCCNC1)[C@H]1CCCCO1 ZINC000042825215 344468809 /nfs/dbraw/zinc/46/88/09/344468809.db2.gz WINJCAJZPZFHCO-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000381211319 344485701 /nfs/dbraw/zinc/48/57/01/344485701.db2.gz DZCKFNRMGXMCKP-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO CSC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000389359625 344496839 /nfs/dbraw/zinc/49/68/39/344496839.db2.gz CUOGNDINFISMKT-QWRGUYRKSA-N 1 3 226.389 1.423 20 0 BDADHO CC(C)C[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000161879308 187359464 /nfs/dbraw/zinc/35/94/64/187359464.db2.gz KOIKJYZNRUUXPF-NEPJUHHUSA-N 1 3 243.395 1.192 20 0 BDADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](O)C(F)F ZINC000570942076 323076116 /nfs/dbraw/zinc/07/61/16/323076116.db2.gz NZWVCUSIAPWRCW-JXUBOQSCSA-N 1 3 236.306 1.251 20 0 BDADHO CN1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408974 530058060 /nfs/dbraw/zinc/05/80/60/530058060.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408974 530058061 /nfs/dbraw/zinc/05/80/61/530058061.db2.gz WMABSQNIQCQQLA-MELADBBJSA-N 1 3 237.391 1.297 20 0 BDADHO C([C@@H]1CCSC1)[N@@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000300231225 187297589 /nfs/dbraw/zinc/29/75/89/187297589.db2.gz GOMXQUDRBACKBA-QJPTWQEYSA-N 1 3 226.389 1.423 20 0 BDADHO C([C@@H]1CCSC1)[N@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000300231225 187297591 /nfs/dbraw/zinc/29/75/91/187297591.db2.gz GOMXQUDRBACKBA-QJPTWQEYSA-N 1 3 226.389 1.423 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@](C)(CN)C2)O1 ZINC000235347230 537890647 /nfs/dbraw/zinc/89/06/47/537890647.db2.gz BEKQYVJLHIGCSH-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@](C)(CN)C2)O1 ZINC000235347230 537890660 /nfs/dbraw/zinc/89/06/60/537890660.db2.gz BEKQYVJLHIGCSH-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C(N1C[C@@H]2CCCC[C@@H]2C1)C12CC(C1)C[NH2+]2 ZINC000634996781 345181300 /nfs/dbraw/zinc/18/13/00/345181300.db2.gz VGCNMJBPDLSNLS-AKJUYKBHSA-N 1 3 220.360 1.860 20 0 BDADHO CC(C)[C@H](C[NH3+])CNC[C@H](N)c1ccccc1 ZINC000634995246 345184201 /nfs/dbraw/zinc/18/42/01/345184201.db2.gz YXAOTBQCUDPQLQ-KGLIPLIRSA-N 1 3 235.375 1.507 20 0 BDADHO C[C@@H]1CC[C@@H](CN2CC[C@@](C)(C[NH3+])C2)O1 ZINC000235347230 537890639 /nfs/dbraw/zinc/89/06/39/537890639.db2.gz BEKQYVJLHIGCSH-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000635003901 345207127 /nfs/dbraw/zinc/20/71/27/345207127.db2.gz MJCMEXPPNSQOHM-TUAOUCFPSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000635004519 345207630 /nfs/dbraw/zinc/20/76/30/345207630.db2.gz IQOKZTVMCKJFSC-AJBSGBCOSA-N 1 3 200.326 1.268 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC(C)(C)F ZINC000635005566 345209636 /nfs/dbraw/zinc/20/96/36/345209636.db2.gz VDHXWKFOCROORL-IVZWLZJFSA-N 1 3 218.316 1.076 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000635011715 345213672 /nfs/dbraw/zinc/21/36/72/345213672.db2.gz PAULGQFSPRYQHJ-CPCZMJQVSA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000635011717 345213688 /nfs/dbraw/zinc/21/36/88/345213688.db2.gz PAULGQFSPRYQHJ-OTTFEQOBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635011885 345213736 /nfs/dbraw/zinc/21/37/36/345213736.db2.gz PXACSZVVTSTCSF-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@@H](CCC[NH3+])N[C@@H]1C[C@H]1C(F)(F)F ZINC000635011791 345213995 /nfs/dbraw/zinc/21/39/95/345213995.db2.gz HTRCGBOIULGXHX-IWSPIJDZSA-N 1 3 240.269 1.281 20 0 BDADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH+](C)C ZINC000635255061 345288644 /nfs/dbraw/zinc/28/86/44/345288644.db2.gz KTYACGLGYMMFHW-LLVKDONJSA-N 1 3 243.395 1.031 20 0 BDADHO CC(C)C[C@@H](C)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300837279 187302229 /nfs/dbraw/zinc/30/22/29/187302229.db2.gz CTLKADREZREWTE-UPJWGTAASA-N 1 3 210.365 1.820 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CC3CC3)CC[C@@H]21 ZINC000158684912 345363269 /nfs/dbraw/zinc/36/32/69/345363269.db2.gz HPPXMLGVMLDJHV-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CC3CC3)CC[C@@H]21 ZINC000158684912 345363272 /nfs/dbraw/zinc/36/32/72/345363272.db2.gz HPPXMLGVMLDJHV-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC000158684912 345363285 /nfs/dbraw/zinc/36/32/85/345363285.db2.gz HPPXMLGVMLDJHV-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000158684912 345363288 /nfs/dbraw/zinc/36/32/88/345363288.db2.gz HPPXMLGVMLDJHV-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO COCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158906191 345389404 /nfs/dbraw/zinc/38/94/04/345389404.db2.gz CDLYIXOXIZCYQS-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO COCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158906191 345389407 /nfs/dbraw/zinc/38/94/07/345389407.db2.gz CDLYIXOXIZCYQS-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)N1CCC([NH2+]C[C@H](C)N(C)C)CC1 ZINC000038088991 187302860 /nfs/dbraw/zinc/30/28/60/187302860.db2.gz ZITVOZOATJAFLU-LBPRGKRZSA-N 1 3 227.396 1.399 20 0 BDADHO C[C@H](CCNC(N)=[NH2+])N(C)Cc1ccccc1 ZINC000081781045 345492171 /nfs/dbraw/zinc/49/21/71/345492171.db2.gz DKOMZKDJPPQAOU-LLVKDONJSA-N 1 3 234.347 1.380 20 0 BDADHO C([NH2+][C@H]1CCCOCC1)[C@@H]1CCCNC1 ZINC000308811443 187307158 /nfs/dbraw/zinc/30/71/58/187307158.db2.gz COJDFTFJWPJSJH-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO CN(C)Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000137411805 345625642 /nfs/dbraw/zinc/62/56/42/345625642.db2.gz GQZWAWXMHZQJFK-UHFFFAOYSA-N 1 3 249.358 1.672 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000563135046 323094633 /nfs/dbraw/zinc/09/46/33/323094633.db2.gz DECLVUKOMZXHLD-DCAQKATOSA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159988804 345772684 /nfs/dbraw/zinc/77/26/84/345772684.db2.gz DBIFVIOGBOMAEP-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159988804 345772686 /nfs/dbraw/zinc/77/26/86/345772686.db2.gz DBIFVIOGBOMAEP-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)N(C)CCN[C@H]1CCC[NH2+]CC1 ZINC000168748157 535010850 /nfs/dbraw/zinc/01/08/50/535010850.db2.gz PFHUKGXSTJQILD-LBPRGKRZSA-N 1 3 213.369 1.058 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)C(C)(C)N)cc1 ZINC000563164155 323099044 /nfs/dbraw/zinc/09/90/44/323099044.db2.gz ZPOMBYSLQZIVHW-UHFFFAOYSA-N 1 3 221.304 1.082 20 0 BDADHO CC[C@@H](CSC)NC[C@@H](O)C[NH+]1CCCC1 ZINC000217329936 346299397 /nfs/dbraw/zinc/29/93/97/346299397.db2.gz AJFOZZQEOBQULH-NWDGAFQWSA-N 1 3 246.420 1.174 20 0 BDADHO CO[C@H](CC(C)C)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000419200960 192102461 /nfs/dbraw/zinc/10/24/61/192102461.db2.gz FCMFTEBRAKELNH-UONOGXRCSA-N 1 3 242.407 1.931 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CN)C[C@H](C)O1 ZINC000563435565 323125435 /nfs/dbraw/zinc/12/54/35/323125435.db2.gz NAKROTHDUJEHAJ-NZEXEKPDSA-N 1 3 226.364 1.659 20 0 BDADHO Cc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])o1 ZINC000580708733 346504991 /nfs/dbraw/zinc/50/49/91/346504991.db2.gz QGQGJEGRVHWKBG-UWVGGRQHSA-N 1 3 210.321 1.846 20 0 BDADHO CC1(C)c2ccccc2CCN1CCOCC[NH3+] ZINC000641801558 362755994 /nfs/dbraw/zinc/75/59/94/362755994.db2.gz SJCLBLGOZHRKRG-UHFFFAOYSA-N 1 3 248.370 1.755 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)C1(C)C)C1CCC1 ZINC000641801548 362756407 /nfs/dbraw/zinc/75/64/07/362756407.db2.gz SEWCYTHWHNMICC-GRYCIOLGSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801548 362756414 /nfs/dbraw/zinc/75/64/14/362756414.db2.gz SEWCYTHWHNMICC-GRYCIOLGSA-N 1 3 226.364 1.517 20 0 BDADHO CC1(C)[C@H]([NH2+]Cc2cccc(N)c2)C[C@@H]1N ZINC000641802781 362759526 /nfs/dbraw/zinc/75/95/26/362759526.db2.gz OUGRQEDZDLZSBN-NWDGAFQWSA-N 1 3 219.332 1.484 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CO1 ZINC000402166837 349974834 /nfs/dbraw/zinc/97/48/34/349974834.db2.gz SWHTWMRZCATHNU-XVIXHAIJSA-N 1 3 238.375 1.674 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000352766356 187370661 /nfs/dbraw/zinc/37/06/61/187370661.db2.gz WICHDASYENUEMI-ZDUSSCGKSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH+]1CCC(NCc2[nH]nc3ccccc32)CC1 ZINC000589843262 346743507 /nfs/dbraw/zinc/74/35/07/346743507.db2.gz BBHVRZGLIYQKDR-UHFFFAOYSA-N 1 3 244.342 1.747 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000580329009 347168641 /nfs/dbraw/zinc/16/86/41/347168641.db2.gz SZGQEAQKYMYNAI-RYUDHWBXSA-N 1 3 226.364 1.520 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000388382075 347375622 /nfs/dbraw/zinc/37/56/22/347375622.db2.gz RQMPSXVDXBJIFX-OLZOCXBDSA-N 1 3 228.380 1.910 20 0 BDADHO C[C@H]1CC[C@@H](CN(C)CC(C)(C)C[NH3+])O1 ZINC000149781200 347518267 /nfs/dbraw/zinc/51/82/67/347518267.db2.gz RDGPMMVRCIHPAD-QWRGUYRKSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CC[C@H]1CCCO1 ZINC000252688914 535063839 /nfs/dbraw/zinc/06/38/39/535063839.db2.gz PSOQIHLSVWJVDI-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CCOC(=O)CCN(CCC[NH3+])CC1CC1 ZINC000591272159 347636513 /nfs/dbraw/zinc/63/65/13/347636513.db2.gz ILBKCXRXRZCAGG-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO CCOC(=O)CC[N@H+](CCCN)CC1CC1 ZINC000591272159 347636515 /nfs/dbraw/zinc/63/65/15/347636515.db2.gz ILBKCXRXRZCAGG-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO CCOC(=O)CC[N@@H+](CCCN)CC1CC1 ZINC000591272159 347636518 /nfs/dbraw/zinc/63/65/18/347636518.db2.gz ILBKCXRXRZCAGG-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000251509078 362883659 /nfs/dbraw/zinc/88/36/59/362883659.db2.gz IGJHLVAFQFHWMU-XQQFMLRXSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000251509078 362883665 /nfs/dbraw/zinc/88/36/65/362883665.db2.gz IGJHLVAFQFHWMU-XQQFMLRXSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)O1 ZINC000397477155 362888355 /nfs/dbraw/zinc/88/83/55/362888355.db2.gz IEYINBGWWCEONU-MQLXINIDSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)O1 ZINC000397477155 362888357 /nfs/dbraw/zinc/88/83/57/362888357.db2.gz IEYINBGWWCEONU-MQLXINIDSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)O1 ZINC000397477155 362888360 /nfs/dbraw/zinc/88/83/60/362888360.db2.gz IEYINBGWWCEONU-MQLXINIDSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2CN)O1 ZINC000251751695 362906054 /nfs/dbraw/zinc/90/60/54/362906054.db2.gz JUBNNJOMWWZCGI-GRYCIOLGSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@H]2CN)O1 ZINC000251751695 362906060 /nfs/dbraw/zinc/90/60/60/362906060.db2.gz JUBNNJOMWWZCGI-GRYCIOLGSA-N 1 3 212.337 1.367 20 0 BDADHO Cc1cnc(CNCCCC[NH+](C)C)s1 ZINC000295226987 179605014 /nfs/dbraw/zinc/60/50/14/179605014.db2.gz ROCRLIXWJUJLFE-UHFFFAOYSA-N 1 3 227.377 1.883 20 0 BDADHO COC(=O)CCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000599292534 349149301 /nfs/dbraw/zinc/14/93/01/349149301.db2.gz GAJLVKKIEDMFPW-LBPRGKRZSA-N 1 3 242.363 1.213 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252745301 349208573 /nfs/dbraw/zinc/20/85/73/349208573.db2.gz PEVNENPVNFGETM-XQQFMLRXSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCO[C@H]2C)C1 ZINC000252745301 349208577 /nfs/dbraw/zinc/20/85/77/349208577.db2.gz PEVNENPVNFGETM-XQQFMLRXSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCO[C@H]2C)C1 ZINC000252745301 349208582 /nfs/dbraw/zinc/20/85/82/349208582.db2.gz PEVNENPVNFGETM-XQQFMLRXSA-N 1 3 226.364 1.484 20 0 BDADHO CC[C@H](CNC1CC[NH+](CC2CC2)CC1)OC ZINC000583470451 349253383 /nfs/dbraw/zinc/25/33/83/349253383.db2.gz NJKRDXLIRIIWPN-CQSZACIVSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528545 362946930 /nfs/dbraw/zinc/94/69/30/362946930.db2.gz SMZPSWIXISAJPH-NWDGAFQWSA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528545 362946936 /nfs/dbraw/zinc/94/69/36/362946936.db2.gz SMZPSWIXISAJPH-NWDGAFQWSA-N 1 3 228.380 1.874 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCNCC1(C)C ZINC000300914674 349429482 /nfs/dbraw/zinc/42/94/82/349429482.db2.gz XVKYVXGTAYIPII-MNOVXSKESA-N 1 3 214.353 1.247 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCOC2)C1 ZINC000070968182 350077156 /nfs/dbraw/zinc/07/71/56/350077156.db2.gz QPSATRDGNGMACF-NWDGAFQWSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCOC2)C1 ZINC000070968182 350077159 /nfs/dbraw/zinc/07/71/59/350077159.db2.gz QPSATRDGNGMACF-NWDGAFQWSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000070968182 350077163 /nfs/dbraw/zinc/07/71/63/350077163.db2.gz QPSATRDGNGMACF-NWDGAFQWSA-N 1 3 212.337 1.095 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000124404238 490359022 /nfs/dbraw/zinc/35/90/22/490359022.db2.gz NCFAYMQSUVPCPF-YIYPIFLZSA-N 1 3 240.391 1.658 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000309210523 350191518 /nfs/dbraw/zinc/19/15/18/350191518.db2.gz DLCRYDDHGKTZIW-AVGNSLFASA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)[C@@H](C)C1 ZINC000309210523 350191521 /nfs/dbraw/zinc/19/15/21/350191521.db2.gz DLCRYDDHGKTZIW-AVGNSLFASA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)SCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309478738 350564308 /nfs/dbraw/zinc/56/43/08/350564308.db2.gz VNAUKHAAWQJCOP-GFCCVEGCSA-N 1 3 246.420 1.173 20 0 BDADHO CC(C)SCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309478738 350564309 /nfs/dbraw/zinc/56/43/09/350564309.db2.gz VNAUKHAAWQJCOP-GFCCVEGCSA-N 1 3 246.420 1.173 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551636 362972030 /nfs/dbraw/zinc/97/20/30/362972030.db2.gz ACLIYBMUZMAENM-WZRBSPASSA-N 1 3 226.364 1.362 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551636 362972033 /nfs/dbraw/zinc/97/20/33/362972033.db2.gz ACLIYBMUZMAENM-WZRBSPASSA-N 1 3 226.364 1.362 20 0 BDADHO CCCCOCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422791448 192469992 /nfs/dbraw/zinc/46/99/92/192469992.db2.gz YMCNWMWNCRLUDN-MNOVXSKESA-N 1 3 202.342 1.519 20 0 BDADHO Cc1ncc(CNCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000628308899 350784809 /nfs/dbraw/zinc/78/48/09/350784809.db2.gz PNUQCJBILNWQHZ-GFCCVEGCSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1ncc(CNCC[C@H]2CCC[N@H+](C)C2)o1 ZINC000628308899 350784810 /nfs/dbraw/zinc/78/48/10/350784810.db2.gz PNUQCJBILNWQHZ-GFCCVEGCSA-N 1 3 237.347 1.805 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+]CC2(C)C)O1 ZINC000398097994 363005574 /nfs/dbraw/zinc/00/55/74/363005574.db2.gz QXNWNYKVNYDYSW-UTUOFQBUSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCNCC2(C)C)O1 ZINC000398097994 363005577 /nfs/dbraw/zinc/00/55/77/363005577.db2.gz QXNWNYKVNYDYSW-UTUOFQBUSA-N 1 3 226.364 1.532 20 0 BDADHO CCC1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000571648454 351388847 /nfs/dbraw/zinc/38/88/47/351388847.db2.gz QUHXTOQKMMKAJG-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO CCC1CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000571648454 351388849 /nfs/dbraw/zinc/38/88/49/351388849.db2.gz QUHXTOQKMMKAJG-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO Cc1ccc(CN2CCC(C[NH3+])CC2)nc1 ZINC000088135750 351624833 /nfs/dbraw/zinc/62/48/33/351624833.db2.gz GZQQROMCAZLSQX-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO CCN[C@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000637857449 351717638 /nfs/dbraw/zinc/71/76/38/351717638.db2.gz WKYYMYVQTNWMIB-VHSXEESVSA-N 1 3 235.331 1.643 20 0 BDADHO CC[C@H](C)[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638076824 351949607 /nfs/dbraw/zinc/94/96/07/351949607.db2.gz NHNCPKPZFAGDDP-MELADBBJSA-N 1 3 242.407 1.931 20 0 BDADHO CC[C@H](C)[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186075 352051140 /nfs/dbraw/zinc/05/11/40/352051140.db2.gz KLHTZZWSPFYAET-WUHRBBMRSA-N 1 3 226.364 1.199 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638197411 352059700 /nfs/dbraw/zinc/05/97/00/352059700.db2.gz JOMMECPTMKDSOO-WOPDTQHZSA-N 1 3 241.379 1.136 20 0 BDADHO CCN[C@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000638257673 352100806 /nfs/dbraw/zinc/10/08/06/352100806.db2.gz ZHBUTPZNOFFVLG-SNVBAGLBSA-N 1 3 235.331 1.343 20 0 BDADHO CCN1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638381000 352190803 /nfs/dbraw/zinc/19/08/03/352190803.db2.gz HCINXGGAFNTFPG-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638381348 352192912 /nfs/dbraw/zinc/19/29/12/352192912.db2.gz KIWYSVDBZDIRDN-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638381349 352193249 /nfs/dbraw/zinc/19/32/49/352193249.db2.gz KIWYSVDBZDIRDN-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](OC)C2CC2)C1 ZINC000638410248 352217603 /nfs/dbraw/zinc/21/76/03/352217603.db2.gz YIISTLAGQIPXGI-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@H](OC)C2CC2)C1 ZINC000638410248 352217605 /nfs/dbraw/zinc/21/76/05/352217605.db2.gz YIISTLAGQIPXGI-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638410248 352217608 /nfs/dbraw/zinc/21/76/08/352217608.db2.gz YIISTLAGQIPXGI-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638452235 352262225 /nfs/dbraw/zinc/26/22/25/352262225.db2.gz VVVOSTJXQLJWAY-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@H](N)CC1CCCCC1 ZINC000638516258 352343886 /nfs/dbraw/zinc/34/38/86/352343886.db2.gz PZBMRUSJSAWNKM-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO COC1(C[N@@H+]2CC[C@H](CN)C2)CCCC1 ZINC000393630875 352711195 /nfs/dbraw/zinc/71/11/95/352711195.db2.gz NDSKQSHZHDDZKE-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO COC1(C[N@H+]2CC[C@H](CN)C2)CCCC1 ZINC000393630875 352711199 /nfs/dbraw/zinc/71/11/99/352711199.db2.gz NDSKQSHZHDDZKE-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO CN1CC=C(C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638839106 353023922 /nfs/dbraw/zinc/02/39/22/353023922.db2.gz XLGWGYOBFBDPHY-UHFFFAOYSA-N 1 3 246.358 1.438 20 0 BDADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)N(C)C ZINC000638816420 352997370 /nfs/dbraw/zinc/99/73/70/352997370.db2.gz SCDVPOSZJHWPEF-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000398681565 353129325 /nfs/dbraw/zinc/12/93/25/353129325.db2.gz NSEZYHVSCBBCQU-BJDJZHNGSA-N 1 3 214.353 1.253 20 0 BDADHO C(CN1CCCCCC1)NC1CC[NH2+]CC1 ZINC000040767960 188043154 /nfs/dbraw/zinc/04/31/54/188043154.db2.gz ZEFZZQLTCOYSNC-UHFFFAOYSA-N 1 3 225.380 1.204 20 0 BDADHO CC(C)C[C@H](CN(C)C)NC(=O)CC[C@@H](C)[NH3+] ZINC000070315055 188047281 /nfs/dbraw/zinc/04/72/81/188047281.db2.gz FSRZWLNFPASERK-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)CC1=CCCOC1 ZINC000336526520 188056996 /nfs/dbraw/zinc/05/69/96/188056996.db2.gz NDGKUJITANXLKI-JSGCOSHPSA-N 1 3 238.375 1.605 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)CC1=CCCOC1 ZINC000336526520 188056998 /nfs/dbraw/zinc/05/69/98/188056998.db2.gz NDGKUJITANXLKI-JSGCOSHPSA-N 1 3 238.375 1.605 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C2CCN(CC)CC2)C1 ZINC000037643797 358475184 /nfs/dbraw/zinc/47/51/84/358475184.db2.gz MRZOFSNUWOLKCQ-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO COC[C@H]1CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000162153072 538111763 /nfs/dbraw/zinc/11/17/63/538111763.db2.gz VUFSYBMGWXZILN-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO COC[C@H]1CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000162153072 538111764 /nfs/dbraw/zinc/11/17/64/538111764.db2.gz VUFSYBMGWXZILN-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CC[C@@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]1 ZINC000134365217 538111853 /nfs/dbraw/zinc/11/18/53/538111853.db2.gz MLYPYPOOLUIEGA-AWEZNQCLSA-N 1 3 247.342 1.616 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C(C)C)N(C)C ZINC000162778931 353330617 /nfs/dbraw/zinc/33/06/17/353330617.db2.gz SBQQSSZVDAQKTM-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@H](CC(N)=O)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000252982592 353314108 /nfs/dbraw/zinc/31/41/08/353314108.db2.gz XEJMKZCMDWAZQP-IJLUTSLNSA-N 1 3 241.379 1.151 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CC(C)(C)O ZINC000227737315 363247467 /nfs/dbraw/zinc/24/74/67/363247467.db2.gz ZDZONPNLBLIGPA-JTQLQIEISA-N 1 3 202.342 1.063 20 0 BDADHO C[C@H]1CN(CC[NH+]2CCCCC2)[C@@H](C)CN1C ZINC000334522782 353890162 /nfs/dbraw/zinc/89/01/62/353890162.db2.gz ZSHBDNXDGRLWTB-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1CC[NH+]1CCCCC1 ZINC000334522797 353890769 /nfs/dbraw/zinc/89/07/69/353890769.db2.gz ZSHBDNXDGRLWTB-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CSCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000229209177 363274048 /nfs/dbraw/zinc/27/40/48/363274048.db2.gz LKTXRHXXOPQOJW-GHMZBOCLSA-N 1 3 216.394 1.847 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000334558970 354007637 /nfs/dbraw/zinc/00/76/37/354007637.db2.gz JEQWWQCAKJKXLU-CMPLNLGQSA-N 1 3 244.342 1.732 20 0 BDADHO CO[C@@](C)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000639168422 354073587 /nfs/dbraw/zinc/07/35/87/354073587.db2.gz UDUPPVHWYQNLCO-ZDUSSCGKSA-N 1 3 228.380 1.685 20 0 BDADHO C[C@@H]1C[C@H](CO)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000344137928 354151758 /nfs/dbraw/zinc/15/17/58/354151758.db2.gz KADOROJGTGXWLV-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1C[C@H](CO)CCN1CC[C@H]1CCC[N@H+]1C ZINC000344137928 354151765 /nfs/dbraw/zinc/15/17/65/354151765.db2.gz KADOROJGTGXWLV-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449679979 202001132 /nfs/dbraw/zinc/00/11/32/202001132.db2.gz ATYYDFSLQZVAMT-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449679980 202001308 /nfs/dbraw/zinc/00/13/08/202001308.db2.gz ATYYDFSLQZVAMT-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)C[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449689477 202002334 /nfs/dbraw/zinc/00/23/34/202002334.db2.gz ZPJNKEGCGHLPQU-NEPJUHHUSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000231676156 363347997 /nfs/dbraw/zinc/34/79/97/363347997.db2.gz UYSBWWFIRBDLDJ-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN(CCCF)C2)C1 ZINC000334615366 354301674 /nfs/dbraw/zinc/30/16/74/354301674.db2.gz IPKPDRLRWHRJAS-NSHDSACASA-N 1 3 200.301 1.374 20 0 BDADHO C[N@H+]1CC[C@]2(CCN(CCCF)C2)C1 ZINC000334615366 354301677 /nfs/dbraw/zinc/30/16/77/354301677.db2.gz IPKPDRLRWHRJAS-NSHDSACASA-N 1 3 200.301 1.374 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN(CCCF)C2)C1 ZINC000334615354 354301939 /nfs/dbraw/zinc/30/19/39/354301939.db2.gz IPKPDRLRWHRJAS-LLVKDONJSA-N 1 3 200.301 1.374 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN(CCCF)C2)C1 ZINC000334615354 354301944 /nfs/dbraw/zinc/30/19/44/354301944.db2.gz IPKPDRLRWHRJAS-LLVKDONJSA-N 1 3 200.301 1.374 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336054873 535260181 /nfs/dbraw/zinc/26/01/81/535260181.db2.gz PCCNXHNVAAFOSY-KGLIPLIRSA-N 1 3 239.407 1.258 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000334760840 354580924 /nfs/dbraw/zinc/58/09/24/354580924.db2.gz PVPOZOFCYMTDTO-GFCCVEGCSA-N 1 3 248.374 1.341 20 0 BDADHO Cc1ccc(CCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000334766647 354588640 /nfs/dbraw/zinc/58/86/40/354588640.db2.gz ORTUTIKJBUVWCJ-GASCZTMLSA-N 1 3 230.355 1.689 20 0 BDADHO CCC[C@@H](CN1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000639204284 354616082 /nfs/dbraw/zinc/61/60/82/354616082.db2.gz QIDBTGDHDJLBFW-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@@H](CN1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204284 354616084 /nfs/dbraw/zinc/61/60/84/354616084.db2.gz QIDBTGDHDJLBFW-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@H](CN1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000639204286 354616110 /nfs/dbraw/zinc/61/61/10/354616110.db2.gz QIDBTGDHDJLBFW-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@H](CN1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204286 354616111 /nfs/dbraw/zinc/61/61/11/354616111.db2.gz QIDBTGDHDJLBFW-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000335133951 354782162 /nfs/dbraw/zinc/78/21/62/354782162.db2.gz XKUQUQUOPYQIDB-GZMMTYOYSA-N 1 3 219.288 1.007 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH2+]C)C1(C)C ZINC000233765175 363407413 /nfs/dbraw/zinc/40/74/13/363407413.db2.gz PYCWGTHUKLRJLB-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1N(C)C ZINC000346693068 355075665 /nfs/dbraw/zinc/07/56/65/355075665.db2.gz KQZLTPWNUXXVQV-OLZOCXBDSA-N 1 3 247.386 1.922 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2C[C@H](CN)C[C@@H]2C)CCO1 ZINC000346695203 355077270 /nfs/dbraw/zinc/07/72/70/355077270.db2.gz YVIYEVUPGKGQCI-RFQIPJPRSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2C[C@H](CN)C[C@@H]2C)CCO1 ZINC000346695203 355077271 /nfs/dbraw/zinc/07/72/71/355077271.db2.gz YVIYEVUPGKGQCI-RFQIPJPRSA-N 1 3 240.391 1.861 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346853504 355138736 /nfs/dbraw/zinc/13/87/36/355138736.db2.gz SSJUDUBRWRKZPU-WCFLWFBJSA-N 1 3 234.347 1.196 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000113514115 355250343 /nfs/dbraw/zinc/25/03/43/355250343.db2.gz FETVCOITLPFTLZ-GFCCVEGCSA-N 1 3 228.380 1.685 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000113514115 355250345 /nfs/dbraw/zinc/25/03/45/355250345.db2.gz FETVCOITLPFTLZ-GFCCVEGCSA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000113514674 355251241 /nfs/dbraw/zinc/25/12/41/355251241.db2.gz OTHNUMFFPXYTBH-LBPRGKRZSA-N 1 3 214.353 1.295 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000113514674 355251247 /nfs/dbraw/zinc/25/12/47/355251247.db2.gz OTHNUMFFPXYTBH-LBPRGKRZSA-N 1 3 214.353 1.295 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)CCO1 ZINC000388975913 355382636 /nfs/dbraw/zinc/38/26/36/355382636.db2.gz ZAIUJDDRNDOUKH-FDYHWXHSSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000166444303 355464294 /nfs/dbraw/zinc/46/42/94/355464294.db2.gz NGNASSOGARBSRM-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H](CCCCO)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398646570 355547913 /nfs/dbraw/zinc/54/79/13/355547913.db2.gz AENNAGVZJURPFX-UPJWGTAASA-N 1 3 228.380 1.658 20 0 BDADHO C[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1C ZINC000415036437 191658963 /nfs/dbraw/zinc/65/89/63/191658963.db2.gz LUAPEEWCPHQXMW-DZDPUUJWSA-N 1 3 208.349 1.619 20 0 BDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)N(C)C ZINC000350898356 355870688 /nfs/dbraw/zinc/87/06/88/355870688.db2.gz VIRMPLGXFSZXHZ-VXGBXAGGSA-N 1 3 243.395 1.219 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261547610 535292964 /nfs/dbraw/zinc/29/29/64/535292964.db2.gz IGBCSPZRKBMWGM-UPJWGTAASA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)(C(=O)NCCC[NH3+])[C@H](N)c1ccccc1 ZINC000417814579 191930013 /nfs/dbraw/zinc/93/00/13/191930013.db2.gz QPHWYXXFGQLZKQ-GFCCVEGCSA-N 1 3 249.358 1.178 20 0 BDADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417858241 191935738 /nfs/dbraw/zinc/93/57/38/191935738.db2.gz UWAKKMFHLQMCNF-WOPDTQHZSA-N 1 3 241.379 1.008 20 0 BDADHO Cc1cnn(CC[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000335917788 356163790 /nfs/dbraw/zinc/16/37/90/356163790.db2.gz MEPPXCCAGLEIRU-CQSZACIVSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1cnn(CC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000335917788 356163793 /nfs/dbraw/zinc/16/37/93/356163793.db2.gz MEPPXCCAGLEIRU-CQSZACIVSA-N 1 3 248.374 1.219 20 0 BDADHO C[C@H]1OCC[C@@H]1CN1CCC([NH+](C)C)CC1 ZINC000639450514 356234796 /nfs/dbraw/zinc/23/47/96/356234796.db2.gz QJRRRRNIPILGEG-VXGBXAGGSA-N 1 3 226.364 1.437 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000420297593 192204375 /nfs/dbraw/zinc/20/43/75/192204375.db2.gz YVHRCIDEQOUZNZ-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CC1(CN[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000420295852 192205551 /nfs/dbraw/zinc/20/55/51/192205551.db2.gz AZSUXPIOZDQGNS-LBPRGKRZSA-N 1 3 240.347 1.047 20 0 BDADHO CN(Cc1cc[nH]c(=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000639494007 356317831 /nfs/dbraw/zinc/31/78/31/356317831.db2.gz HNEYDCUGUNDVFZ-CYBMUJFWSA-N 1 3 249.358 1.561 20 0 BDADHO CN(Cc1cc[nH]c(=O)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000639494007 356317832 /nfs/dbraw/zinc/31/78/32/356317832.db2.gz HNEYDCUGUNDVFZ-CYBMUJFWSA-N 1 3 249.358 1.561 20 0 BDADHO C[C@@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509743 356339381 /nfs/dbraw/zinc/33/93/81/356339381.db2.gz LBXPBQYWMHPDNG-DGCLKSJQSA-N 1 3 249.358 1.702 20 0 BDADHO C[C@@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509743 356339383 /nfs/dbraw/zinc/33/93/83/356339383.db2.gz LBXPBQYWMHPDNG-DGCLKSJQSA-N 1 3 249.358 1.702 20 0 BDADHO CN(CCCc1cccc(F)c1)C[C@H](O)C[NH3+] ZINC000420354553 192218995 /nfs/dbraw/zinc/21/89/95/192218995.db2.gz OQWRMLKWFNZTHD-CYBMUJFWSA-N 1 3 240.322 1.010 20 0 BDADHO C[N@H+](CCCc1cccc(F)c1)C[C@H](O)CN ZINC000420354553 192218996 /nfs/dbraw/zinc/21/89/96/192218996.db2.gz OQWRMLKWFNZTHD-CYBMUJFWSA-N 1 3 240.322 1.010 20 0 BDADHO C[N@@H+](CCCc1cccc(F)c1)C[C@H](O)CN ZINC000420354553 192218999 /nfs/dbraw/zinc/21/89/99/192218999.db2.gz OQWRMLKWFNZTHD-CYBMUJFWSA-N 1 3 240.322 1.010 20 0 BDADHO CC(C)(C)[C@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420304951 192208742 /nfs/dbraw/zinc/20/87/42/192208742.db2.gz PABNHTZYMSMCKE-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)(C)[C@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420304951 192208745 /nfs/dbraw/zinc/20/87/45/192208745.db2.gz PABNHTZYMSMCKE-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000420311307 192210747 /nfs/dbraw/zinc/21/07/47/192210747.db2.gz GVJLWCMFDISWLQ-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CCCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000420311307 192210750 /nfs/dbraw/zinc/21/07/50/192210750.db2.gz GVJLWCMFDISWLQ-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO c1cc(CCCN2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420309736 192211736 /nfs/dbraw/zinc/21/17/36/192211736.db2.gz FILSPTNKWCLTRK-GJZGRUSLSA-N 1 3 245.370 1.556 20 0 BDADHO C(CN1CCOC[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000420370658 192227040 /nfs/dbraw/zinc/22/70/40/192227040.db2.gz YVVOSYSSFMQHAY-YPMHNXCESA-N 1 3 224.348 1.097 20 0 BDADHO CC[C@@H](c1ccccc1)N(C)C[C@H](O)C[NH3+] ZINC000420357689 192219848 /nfs/dbraw/zinc/21/98/48/192219848.db2.gz SLLCRVMFVPKMCD-OLZOCXBDSA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)CN ZINC000420357689 192219849 /nfs/dbraw/zinc/21/98/49/192219849.db2.gz SLLCRVMFVPKMCD-OLZOCXBDSA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)CN ZINC000420357689 192219852 /nfs/dbraw/zinc/21/98/52/192219852.db2.gz SLLCRVMFVPKMCD-OLZOCXBDSA-N 1 3 222.332 1.389 20 0 BDADHO C[NH2+]CCCN1CCN(C2CCCCC2)CC1 ZINC000420359945 192222772 /nfs/dbraw/zinc/22/27/72/192222772.db2.gz LGPRLYBMLWTXDR-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO CCOCCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420384463 192234669 /nfs/dbraw/zinc/23/46/69/192234669.db2.gz DVNNHRKKXKFPDO-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH2+]CCCN(C)CCCn1ccnc1C ZINC000420391259 192236449 /nfs/dbraw/zinc/23/64/49/192236449.db2.gz RVYTYJGRDVIULU-UHFFFAOYSA-N 1 3 224.352 1.123 20 0 BDADHO C[C@H](N)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000420412070 192238859 /nfs/dbraw/zinc/23/88/59/192238859.db2.gz SAMALEPZILWFLF-UBHSHLNASA-N 1 3 234.343 1.701 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420412514 192241294 /nfs/dbraw/zinc/24/12/94/192241294.db2.gz SGYNQWJREWEEJN-IACUBPJLSA-N 1 3 233.359 1.369 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420412514 192241296 /nfs/dbraw/zinc/24/12/96/192241296.db2.gz SGYNQWJREWEEJN-IACUBPJLSA-N 1 3 233.359 1.369 20 0 BDADHO C[C@H]1CCN(CCCc2ccncc2)C[C@H]1C[NH3+] ZINC000420421837 192241757 /nfs/dbraw/zinc/24/17/57/192241757.db2.gz YVMMEHNWAAZXJB-DZGCQCFKSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@H]1CC[N@H+](CCCc2ccncc2)C[C@H]1CN ZINC000420421837 192241758 /nfs/dbraw/zinc/24/17/58/192241758.db2.gz YVMMEHNWAAZXJB-DZGCQCFKSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@H]1CC[N@@H+](CCCc2ccncc2)C[C@H]1CN ZINC000420421837 192241760 /nfs/dbraw/zinc/24/17/60/192241760.db2.gz YVMMEHNWAAZXJB-DZGCQCFKSA-N 1 3 247.386 1.931 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000352676905 356401694 /nfs/dbraw/zinc/40/16/94/356401694.db2.gz VCQHGEUDAOXYIC-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000352676905 356401699 /nfs/dbraw/zinc/40/16/99/356401699.db2.gz VCQHGEUDAOXYIC-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CCc1nc(CCN[C@@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422901181 192512589 /nfs/dbraw/zinc/51/25/89/192512589.db2.gz KNULCRXEBGQPEF-ZJUUUORDSA-N 1 3 241.404 1.963 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422950579 192523771 /nfs/dbraw/zinc/52/37/71/192523771.db2.gz YKDGVDDMLHQQIU-IRCOFANPSA-N 1 3 212.337 1.142 20 0 BDADHO CCc1cc(N2CCO[C@H](CN(C)C)C2)cc[nH+]1 ZINC000450318467 202128382 /nfs/dbraw/zinc/12/83/82/202128382.db2.gz JTXSFXUJROEBEV-CQSZACIVSA-N 1 3 249.358 1.411 20 0 BDADHO CCSCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000167667339 134153547 /nfs/dbraw/zinc/15/35/47/134153547.db2.gz GSDVLQOPYKUWTK-GHMZBOCLSA-N 1 3 216.394 1.656 20 0 BDADHO CC(C)=CCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761532 356677764 /nfs/dbraw/zinc/67/77/64/356677764.db2.gz GELUBXGINJVSRD-CQSZACIVSA-N 1 3 240.391 1.731 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCc2n[nH]cc2C1 ZINC000578185497 366369117 /nfs/dbraw/zinc/36/91/17/366369117.db2.gz MLRWTIFVQSGUDF-YRGRVCCFSA-N 1 3 248.374 1.517 20 0 BDADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000041680202 358513062 /nfs/dbraw/zinc/51/30/62/358513062.db2.gz FHAMXZDZAAHRBN-WDEREUQCSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000353536557 538749494 /nfs/dbraw/zinc/74/94/94/538749494.db2.gz YDFINWMNEMECKM-CHWSQXEVSA-N 1 3 240.391 1.467 20 0 BDADHO CCO[C@H](CC[NH+](C)C)CNCC1(F)CC1 ZINC000390502929 357098688 /nfs/dbraw/zinc/09/86/88/357098688.db2.gz VQMZPUQAQNBKIM-LLVKDONJSA-N 1 3 232.343 1.435 20 0 BDADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000391143188 357122997 /nfs/dbraw/zinc/12/29/97/357122997.db2.gz SCHCDIOIABNPPQ-STQMWFEESA-N 1 3 219.332 1.750 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000393605132 357288945 /nfs/dbraw/zinc/28/89/45/357288945.db2.gz XSYKRXDAYZRUBC-MNOVXSKESA-N 1 3 228.380 1.643 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000393605132 357288947 /nfs/dbraw/zinc/28/89/47/357288947.db2.gz XSYKRXDAYZRUBC-MNOVXSKESA-N 1 3 228.380 1.643 20 0 BDADHO CC(C)SCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393658390 357291710 /nfs/dbraw/zinc/29/17/10/357291710.db2.gz OMGOIGOJLQGXFW-GHMZBOCLSA-N 1 3 216.394 1.988 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628425599 357252250 /nfs/dbraw/zinc/25/22/50/357252250.db2.gz PWYMOGDTZQRBQG-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000394034325 357316092 /nfs/dbraw/zinc/31/60/92/357316092.db2.gz FTOHIZXBCRVECE-QJPTWQEYSA-N 1 3 214.353 1.110 20 0 BDADHO CCCC[C@@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230711106 357572914 /nfs/dbraw/zinc/57/29/14/357572914.db2.gz NSIXRYRQNBQZQW-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CC[C@H](N)C(=O)N(CC)CCC[NH+](CC)CC ZINC000230712206 357574101 /nfs/dbraw/zinc/57/41/01/357574101.db2.gz PNBJEPFVUJRXIH-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCCO ZINC000235476945 357871319 /nfs/dbraw/zinc/87/13/19/357871319.db2.gz NSTOFDFKBGPDAZ-CHWSQXEVSA-N 1 3 228.380 1.659 20 0 BDADHO COc1ccc2c(c1)[C@@H](NCCC[NH3+])CC2 ZINC000086244599 357875827 /nfs/dbraw/zinc/87/58/27/357875827.db2.gz GDGVIASPGWDJGR-ZDUSSCGKSA-N 1 3 220.316 1.621 20 0 BDADHO COCCCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584411094 357913865 /nfs/dbraw/zinc/91/38/65/357913865.db2.gz JFIXPMKUOIDQPA-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO COCCCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000584411094 357913869 /nfs/dbraw/zinc/91/38/69/357913869.db2.gz JFIXPMKUOIDQPA-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO COCCCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000584411094 357913875 /nfs/dbraw/zinc/91/38/75/357913875.db2.gz JFIXPMKUOIDQPA-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO C[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CCCO1 ZINC000168771328 134247546 /nfs/dbraw/zinc/24/75/46/134247546.db2.gz LPPUDGLYOBDEQU-NEPJUHHUSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@@]1(C[NH2+][C@@H]2CCCNCC2)CCCO1 ZINC000168771328 134247547 /nfs/dbraw/zinc/24/75/47/134247547.db2.gz LPPUDGLYOBDEQU-NEPJUHHUSA-N 1 3 212.337 1.287 20 0 BDADHO CCN1CCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168705150 134246471 /nfs/dbraw/zinc/24/64/71/134246471.db2.gz POGIJXCSSGIMQV-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO CC[C@]1(O)CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000640036877 358137110 /nfs/dbraw/zinc/13/71/10/358137110.db2.gz YOOIRUZQSVECBD-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@]1(O)CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000640036877 358137113 /nfs/dbraw/zinc/13/71/13/358137113.db2.gz YOOIRUZQSVECBD-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803413 358246486 /nfs/dbraw/zinc/24/64/86/358246486.db2.gz PCMAARGGFHVABR-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040802607 358246953 /nfs/dbraw/zinc/24/69/53/358246953.db2.gz IIOAJCGKAXNRHC-CHWSQXEVSA-N 1 3 249.358 1.143 20 0 BDADHO CSCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000229208025 358363629 /nfs/dbraw/zinc/36/36/29/358363629.db2.gz DTOILFWZXJCSDX-QWRGUYRKSA-N 1 3 216.394 1.989 20 0 BDADHO Cc1ccc([C@H](C)NCCOCC[NH+](C)C)o1 ZINC000219309803 134281247 /nfs/dbraw/zinc/28/12/47/134281247.db2.gz JQBBGRZUQJJVBO-LBPRGKRZSA-N 1 3 240.347 1.817 20 0 BDADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000129948122 358602925 /nfs/dbraw/zinc/60/29/25/358602925.db2.gz XFBJUXVGMJBEBB-LBPRGKRZSA-N 1 3 243.395 1.029 20 0 BDADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000129948122 358602926 /nfs/dbraw/zinc/60/29/26/358602926.db2.gz XFBJUXVGMJBEBB-LBPRGKRZSA-N 1 3 243.395 1.029 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129375564 358585480 /nfs/dbraw/zinc/58/54/80/358585480.db2.gz ZEQLVQKLKQDWLQ-FVCCEPFGSA-N 1 3 238.375 1.362 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129375564 358585483 /nfs/dbraw/zinc/58/54/83/358585483.db2.gz ZEQLVQKLKQDWLQ-FVCCEPFGSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@H]1C[C@@H](NCCc2ccco2)CC[N@@H+]1C ZINC000129668921 358592495 /nfs/dbraw/zinc/59/24/95/358592495.db2.gz OAWUAXKSRJLLKG-RYUDHWBXSA-N 1 3 222.332 1.894 20 0 BDADHO C[C@H]1C[C@@H](NCCc2ccco2)CC[N@H+]1C ZINC000129668921 358592498 /nfs/dbraw/zinc/59/24/98/358592498.db2.gz OAWUAXKSRJLLKG-RYUDHWBXSA-N 1 3 222.332 1.894 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCCO1 ZINC000049332469 358683558 /nfs/dbraw/zinc/68/35/58/358683558.db2.gz APOWJVVZSROMDE-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCCO1 ZINC000049332469 358683563 /nfs/dbraw/zinc/68/35/63/358683563.db2.gz APOWJVVZSROMDE-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)N1CCC([NH2+][C@H](C)CCN(C)C)CC1 ZINC000049551847 358694506 /nfs/dbraw/zinc/69/45/06/358694506.db2.gz MRZNWBOVQXXLNA-CYBMUJFWSA-N 1 3 241.423 1.789 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000054110299 358852727 /nfs/dbraw/zinc/85/27/27/358852727.db2.gz VPIWQBAQYPIIRB-RWMBFGLXSA-N 1 3 227.396 1.256 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000247230831 359203698 /nfs/dbraw/zinc/20/36/98/359203698.db2.gz YGXYBQFRVCBFAV-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](COC)C2CC2)C1 ZINC000247230831 359203702 /nfs/dbraw/zinc/20/37/02/359203702.db2.gz YGXYBQFRVCBFAV-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](COC)C2CC2)C1 ZINC000247230831 359203705 /nfs/dbraw/zinc/20/37/05/359203705.db2.gz YGXYBQFRVCBFAV-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CCO1 ZINC000423541643 192808847 /nfs/dbraw/zinc/80/88/47/192808847.db2.gz FSORKFKMSJTUTM-LPWJVIDDSA-N 1 3 226.364 1.661 20 0 BDADHO CN(CCC[NH+](C)C)C[C@@H]1CCSC1 ZINC000580498892 359761743 /nfs/dbraw/zinc/76/17/43/359761743.db2.gz FXGAAHPXNMBLIV-NSHDSACASA-N 1 3 216.394 1.623 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@]1(C)CCCO1 ZINC000087233558 359903023 /nfs/dbraw/zinc/90/30/23/359903023.db2.gz JGGKUTSNUJVREX-AGIUHOORSA-N 1 3 226.364 1.676 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1(N)CC1 ZINC000088129669 359937557 /nfs/dbraw/zinc/93/75/57/359937557.db2.gz CDKRFEZMNQOZOL-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C(C)C)C1CC1 ZINC000578838187 366656047 /nfs/dbraw/zinc/65/60/47/366656047.db2.gz UHLQIXBQZALHRE-GFCCVEGCSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C(C)C)C1CC1 ZINC000578838187 366656050 /nfs/dbraw/zinc/65/60/50/366656050.db2.gz UHLQIXBQZALHRE-GFCCVEGCSA-N 1 3 214.353 1.172 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000089140585 359992781 /nfs/dbraw/zinc/99/27/81/359992781.db2.gz UWTHAWMYKCWFCI-KGLIPLIRSA-N 1 3 240.391 1.910 20 0 BDADHO COC(=O)[C@@H](C)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000089425418 360019809 /nfs/dbraw/zinc/01/98/09/360019809.db2.gz KEFYJNRRFMVCLE-RYUDHWBXSA-N 1 3 242.363 1.212 20 0 BDADHO COC(=O)[C@@H](C)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000089425418 360019814 /nfs/dbraw/zinc/01/98/14/360019814.db2.gz KEFYJNRRFMVCLE-RYUDHWBXSA-N 1 3 242.363 1.212 20 0 BDADHO C1C[C@H]2C[C@@H]([NH2+]C3CCOCC3)CCN2C1 ZINC000090714583 360084974 /nfs/dbraw/zinc/08/49/74/360084974.db2.gz BVZBHRHPPHGKLX-STQMWFEESA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@@H](NC3CCOCC3)CC[N@@H+]2C1 ZINC000090714583 360084980 /nfs/dbraw/zinc/08/49/80/360084980.db2.gz BVZBHRHPPHGKLX-STQMWFEESA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@@H](NC3CCOCC3)CC[N@H+]2C1 ZINC000090714583 360084988 /nfs/dbraw/zinc/08/49/88/360084988.db2.gz BVZBHRHPPHGKLX-STQMWFEESA-N 1 3 224.348 1.382 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392073 360113904 /nfs/dbraw/zinc/11/39/04/360113904.db2.gz FIANRIORAXJUIG-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)[C@@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516881 360256194 /nfs/dbraw/zinc/25/61/94/360256194.db2.gz JZCFXZIJIQESCD-HZSPNIEDSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@H](CCO)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516830 360256215 /nfs/dbraw/zinc/25/62/15/360256215.db2.gz JUGVEPPFFCIUIB-MCIONIFRSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@]1(C[NH2+]C[C@@H]2CCCOC2)CCCNC1 ZINC000414902896 200779160 /nfs/dbraw/zinc/77/91/60/200779160.db2.gz HVJDSVNONMEFHV-QWHCGFSZSA-N 1 3 226.364 1.392 20 0 BDADHO CCc1cc(OC)ccc1CNC[C@@H](C)C[NH3+] ZINC000414882318 200774002 /nfs/dbraw/zinc/77/40/02/200774002.db2.gz UATNSJAGNBFWBI-NSHDSACASA-N 1 3 236.359 1.942 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000069908613 361014236 /nfs/dbraw/zinc/01/42/36/361014236.db2.gz SSCOMXVEGUVBQE-GMTAPVOTSA-N 1 3 214.378 1.422 20 0 BDADHO Cc1cc(C)cc(C[NH2+]CC2(N)CCOCC2)c1 ZINC000629387378 361038824 /nfs/dbraw/zinc/03/88/24/361038824.db2.gz IDABTIAMHIUVHT-UHFFFAOYSA-N 1 3 248.370 1.901 20 0 BDADHO COC1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629397372 361047533 /nfs/dbraw/zinc/04/75/33/361047533.db2.gz UGHBXGAERSXSMP-IGJPJIBNSA-N 1 3 226.364 1.674 20 0 BDADHO CCCC[C@@H](COC)NCC1([NH3+])CCOCC1 ZINC000629521395 361117951 /nfs/dbraw/zinc/11/79/51/361117951.db2.gz OUFPUFUNRWHPNU-LBPRGKRZSA-N 1 3 244.379 1.289 20 0 BDADHO CCO[C@@H](C[N@@H+]1CC[C@H](CN)C1)C1CC1 ZINC000629511915 361106040 /nfs/dbraw/zinc/10/60/40/361106040.db2.gz NJZRRDMHNVEJAS-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H](C[N@H+]1CC[C@H](CN)C1)C1CC1 ZINC000629511915 361106046 /nfs/dbraw/zinc/10/60/46/361106046.db2.gz NJZRRDMHNVEJAS-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H](CN1CC[C@H](C[NH3+])C1)C1CC1 ZINC000629511915 361106048 /nfs/dbraw/zinc/10/60/48/361106048.db2.gz NJZRRDMHNVEJAS-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@H]1N)CO2 ZINC000629515982 361109840 /nfs/dbraw/zinc/10/98/40/361109840.db2.gz YOPYWDQCAHZVHD-YUTCNCBUSA-N 1 3 246.354 1.768 20 0 BDADHO C[NH2+]CCOCCN[C@H]1CCCc2occc21 ZINC000629530431 361144542 /nfs/dbraw/zinc/14/45/42/361144542.db2.gz GWGTVBUXJDMUDH-LBPRGKRZSA-N 1 3 238.331 1.483 20 0 BDADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@@H]1CCOC1 ZINC000629526217 361127899 /nfs/dbraw/zinc/12/78/99/361127899.db2.gz NOIOIADRZVUWIX-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC2=CCCOC2)C1 ZINC000379738568 361380979 /nfs/dbraw/zinc/38/09/79/361380979.db2.gz WILARBMIIIEFTC-VXGBXAGGSA-N 1 3 210.321 1.193 20 0 BDADHO CCOCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000429540023 201112161 /nfs/dbraw/zinc/11/21/61/201112161.db2.gz SAGHQGPTVNUJLY-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429540023 201112163 /nfs/dbraw/zinc/11/21/63/201112163.db2.gz SAGHQGPTVNUJLY-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429540023 201112165 /nfs/dbraw/zinc/11/21/65/201112165.db2.gz SAGHQGPTVNUJLY-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NCCOC1CCOCC1 ZINC000629537742 361401386 /nfs/dbraw/zinc/40/13/86/361401386.db2.gz QJJJWEKVCQRSKB-LBPRGKRZSA-N 1 3 244.379 1.145 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1cncs1 ZINC000629537870 361402409 /nfs/dbraw/zinc/40/24/09/361402409.db2.gz LCGCYGACRFJBLQ-SECBINFHSA-N 1 3 229.349 1.159 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629543581 361411251 /nfs/dbraw/zinc/41/12/51/361411251.db2.gz DFLKPQMRJKBZBW-WHOHXGKFSA-N 1 3 212.337 1.284 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1)C1CC1 ZINC000629540892 361415520 /nfs/dbraw/zinc/41/55/20/361415520.db2.gz YFQZLUSFPQCJNE-KWCYVHTRSA-N 1 3 240.391 1.718 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](CN)C1)C1CC1 ZINC000629540892 361415523 /nfs/dbraw/zinc/41/55/23/361415523.db2.gz YFQZLUSFPQCJNE-KWCYVHTRSA-N 1 3 240.391 1.718 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000629548648 361434459 /nfs/dbraw/zinc/43/44/59/361434459.db2.gz OLFZUHWARZYFAK-VOAKCMCISA-N 1 3 224.348 1.413 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H](C)C[C@H](C)N)C1 ZINC000629554620 361438105 /nfs/dbraw/zinc/43/81/05/361438105.db2.gz KVQOJACLCLJAAU-ZRUFSTJUSA-N 1 3 200.326 1.127 20 0 BDADHO FCC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000629580710 361469871 /nfs/dbraw/zinc/46/98/71/361469871.db2.gz FADQBMAXEHAUNY-QWHCGFSZSA-N 1 3 244.354 1.437 20 0 BDADHO O[C@H](CNCCC1(F)CCC1)C[NH+]1CCCC1 ZINC000629581376 361471240 /nfs/dbraw/zinc/47/12/40/361471240.db2.gz YQBHGHQBLINTCC-GFCCVEGCSA-N 1 3 244.354 1.315 20 0 BDADHO COCC[C@@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585219 361474497 /nfs/dbraw/zinc/47/44/97/361474497.db2.gz NODJVGCPFNRYPL-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C ZINC000629611887 361502238 /nfs/dbraw/zinc/50/22/38/361502238.db2.gz JHJQMBCUOLTVKZ-NWDGAFQWSA-N 1 3 243.395 1.158 20 0 BDADHO Cn1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000629647856 361539091 /nfs/dbraw/zinc/53/90/91/361539091.db2.gz CDCJKPVNFUIKAP-VXGBXAGGSA-N 1 3 207.321 1.385 20 0 BDADHO C1=C(C[NH2+][C@@H]2CCNC3(CCC3)C2)COCC1 ZINC000629647811 361539698 /nfs/dbraw/zinc/53/96/98/361539698.db2.gz AYJOVCQAOHQGGK-CYBMUJFWSA-N 1 3 236.359 1.597 20 0 BDADHO C[C@@H]1CN(Cc2ccn(C)c2)C[C@@]1(C)C[NH3+] ZINC000629648564 361540679 /nfs/dbraw/zinc/54/06/79/361540679.db2.gz QZNAETJZQGNBAY-DGCLKSJQSA-N 1 3 221.348 1.442 20 0 BDADHO C[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@@]1(C)CN ZINC000629648564 361540683 /nfs/dbraw/zinc/54/06/83/361540683.db2.gz QZNAETJZQGNBAY-DGCLKSJQSA-N 1 3 221.348 1.442 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2ccn(C)c2)C[C@@]1(C)CN ZINC000629648564 361540686 /nfs/dbraw/zinc/54/06/86/361540686.db2.gz QZNAETJZQGNBAY-DGCLKSJQSA-N 1 3 221.348 1.442 20 0 BDADHO C[C@@H](N(C)CC[C@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546768 201201816 /nfs/dbraw/zinc/20/18/16/201201816.db2.gz MFMPEHSLLNKQFI-VXGBXAGGSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@@H](N(C)CC[C@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546768 201201819 /nfs/dbraw/zinc/20/18/19/201201819.db2.gz MFMPEHSLLNKQFI-VXGBXAGGSA-N 1 3 228.380 1.562 20 0 BDADHO Cn1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000629649662 361546960 /nfs/dbraw/zinc/54/69/60/361546960.db2.gz YUGHTAHTZVGCDB-VXGBXAGGSA-N 1 3 207.321 1.385 20 0 BDADHO C[C@H]1CCCN(Cc2ccn(C)c2)[C@H]1CC[NH3+] ZINC000629650702 361547795 /nfs/dbraw/zinc/54/77/95/361547795.db2.gz ZTAASMMBWUNKBA-JSGCOSHPSA-N 1 3 235.375 1.974 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000629671563 361590547 /nfs/dbraw/zinc/59/05/47/361590547.db2.gz AEBWOSGWSPOTNQ-LPEHRKFASA-N 1 3 200.351 1.080 20 0 BDADHO CNCCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000435875665 201291710 /nfs/dbraw/zinc/29/17/10/201291710.db2.gz DVJSXMJLPWYZMM-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO CNCCC[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000435875665 201291714 /nfs/dbraw/zinc/29/17/14/201291714.db2.gz DVJSXMJLPWYZMM-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO C[NH2+]CCCN1CCCC2(CCOCC2)C1 ZINC000435874148 201292961 /nfs/dbraw/zinc/29/29/61/201292961.db2.gz ZHQBUXRTRYMHTF-UHFFFAOYSA-N 1 3 226.364 1.489 20 0 BDADHO CNCCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000435874148 201292964 /nfs/dbraw/zinc/29/29/64/201292964.db2.gz ZHQBUXRTRYMHTF-UHFFFAOYSA-N 1 3 226.364 1.489 20 0 BDADHO CNCCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000435874148 201292967 /nfs/dbraw/zinc/29/29/67/201292967.db2.gz ZHQBUXRTRYMHTF-UHFFFAOYSA-N 1 3 226.364 1.489 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H]1Cn1ccnc1C ZINC000435881998 201295627 /nfs/dbraw/zinc/29/56/27/201295627.db2.gz RJMGFOIXLBHMLX-CYBMUJFWSA-N 1 3 236.363 1.265 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN)C[C@@H]1C ZINC000437805161 201375658 /nfs/dbraw/zinc/37/56/58/201375658.db2.gz WPMVPJFGQRFIOX-SDDRHHMPSA-N 1 3 242.363 1.293 20 0 BDADHO CC1(C)OCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000328272497 363871397 /nfs/dbraw/zinc/87/13/97/363871397.db2.gz WLXPMKLTCJQHPM-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CC1(C)OCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000328272497 363871401 /nfs/dbraw/zinc/87/14/01/363871401.db2.gz WLXPMKLTCJQHPM-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608085 364334276 /nfs/dbraw/zinc/33/42/76/364334276.db2.gz VDIAWVLOHZAWQB-NSHDSACASA-N 1 3 231.303 1.136 20 0 BDADHO Cc1ccccc1C[C@@H](C)[NH2+]CCCN ZINC000135294118 364433201 /nfs/dbraw/zinc/43/32/01/364433201.db2.gz LNXDNADZWBTADD-GFCCVEGCSA-N 1 3 206.333 1.864 20 0 BDADHO Cc1ccccc1C[C@@H](C)NCCC[NH3+] ZINC000135294118 364433206 /nfs/dbraw/zinc/43/32/06/364433206.db2.gz LNXDNADZWBTADD-GFCCVEGCSA-N 1 3 206.333 1.864 20 0 BDADHO C[C@H](CCCCO)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996354 364666638 /nfs/dbraw/zinc/66/66/38/364666638.db2.gz ABZANKVCYRDBBM-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CCOC[C@@H]2C)C[NH2+]1 ZINC000398994711 364667037 /nfs/dbraw/zinc/66/70/37/364667037.db2.gz NYJFYALVTUUGMT-WHOHXGKFSA-N 1 3 212.337 1.142 20 0 BDADHO [NH3+]CCCCNCc1c(F)cccc1F ZINC000037714650 181377875 /nfs/dbraw/zinc/37/78/75/181377875.db2.gz GHWPBNJYUUUKGU-UHFFFAOYSA-N 1 3 214.259 1.793 20 0 BDADHO [NH3+]CCCN1CCCc2ccccc2C1 ZINC000062944365 181381109 /nfs/dbraw/zinc/38/11/09/181381109.db2.gz OIURFNARCZHYEU-UHFFFAOYSA-N 1 3 204.317 1.784 20 0 BDADHO [NH3+]CCOCCN1CC[C@H](Nc2ccccc2)C1 ZINC000357071464 181398896 /nfs/dbraw/zinc/39/88/96/181398896.db2.gz CCBXLKNNZAGZFA-AWEZNQCLSA-N 1 3 249.358 1.148 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220681791 181427927 /nfs/dbraw/zinc/42/79/27/181427927.db2.gz LKFFZVZPRBUNGK-JQWIXIFHSA-N 1 3 228.405 1.989 20 0 BDADHO COCC[N@H+](CCCN1CCCCC1)C1CC1 ZINC000444571273 193050227 /nfs/dbraw/zinc/05/02/27/193050227.db2.gz JFNNZMJBIKVWAN-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO COCC[N@@H+](CCCN1CCCCC1)C1CC1 ZINC000444571273 193050229 /nfs/dbraw/zinc/05/02/29/193050229.db2.gz JFNNZMJBIKVWAN-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@@H](C)[C@H]2C)CC[NH2+]1 ZINC000380565353 367244436 /nfs/dbraw/zinc/24/44/36/367244436.db2.gz OJDMCLRZBCSMGE-FVCCEPFGSA-N 1 3 226.364 1.484 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cn1 ZINC000581185353 367287209 /nfs/dbraw/zinc/28/72/09/367287209.db2.gz XCKJZDMSOQYMGU-ZIAGYGMSSA-N 1 3 233.359 1.650 20 0 BDADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[NH2+]CC1 ZINC000383280613 367610895 /nfs/dbraw/zinc/61/08/95/367610895.db2.gz IJBYSJRBHCTZJV-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCNCC1 ZINC000383280613 367610899 /nfs/dbraw/zinc/61/08/99/367610899.db2.gz IJBYSJRBHCTZJV-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCNCC1 ZINC000383280613 367610906 /nfs/dbraw/zinc/61/09/06/367610906.db2.gz IJBYSJRBHCTZJV-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)OCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000383518724 367633584 /nfs/dbraw/zinc/63/35/84/367633584.db2.gz IIEREASEJREYSM-NWDGAFQWSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@@H](c1ccncc1)N(C)CCOCC[NH3+] ZINC000383881613 367657381 /nfs/dbraw/zinc/65/73/81/367657381.db2.gz WIYPVMUQKHPUOK-NSHDSACASA-N 1 3 223.320 1.050 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000384339923 367685673 /nfs/dbraw/zinc/68/56/73/367685673.db2.gz CAZVMJOMYMUHJB-AGIUHOORSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000384877071 367748706 /nfs/dbraw/zinc/74/87/06/367748706.db2.gz PUOQRUZWLOASBQ-VWYCJHECSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000384877071 367748711 /nfs/dbraw/zinc/74/87/11/367748711.db2.gz PUOQRUZWLOASBQ-VWYCJHECSA-N 1 3 214.353 1.395 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@@H](C)O[C@@H]1C ZINC000384925808 367758716 /nfs/dbraw/zinc/75/87/16/367758716.db2.gz PRTFOQPPMZWRKC-UPJWGTAASA-N 1 3 228.380 1.872 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000384949152 367762526 /nfs/dbraw/zinc/76/25/26/367762526.db2.gz FYFISAPBJZFJRM-IJLUTSLNSA-N 1 3 228.380 1.643 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000581720386 367782299 /nfs/dbraw/zinc/78/22/99/367782299.db2.gz PYGDJBGEBGJAPM-WISYIIOYSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H](C)O1 ZINC000385098821 367791066 /nfs/dbraw/zinc/79/10/66/367791066.db2.gz HHWORCLBQKTIBX-POQQGIQPSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H](C)O1 ZINC000385098821 367791074 /nfs/dbraw/zinc/79/10/74/367791074.db2.gz HHWORCLBQKTIBX-POQQGIQPSA-N 1 3 238.375 1.769 20 0 BDADHO CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000386080776 367909074 /nfs/dbraw/zinc/90/90/74/367909074.db2.gz GTYIYUYDIAPAEW-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H]([NH2+]CCOCC1CC1)[C@H]1CCCCN1 ZINC000386076609 367909710 /nfs/dbraw/zinc/90/97/10/367909710.db2.gz GDMISNRRMKKZIR-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]CCOCC1CC1)[C@@H]1CCCCN1 ZINC000386076607 367909728 /nfs/dbraw/zinc/90/97/28/367909728.db2.gz GDMISNRRMKKZIR-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO CN(CCNC1CC[NH2+]CC1)Cc1ccccc1 ZINC000386921957 368035240 /nfs/dbraw/zinc/03/52/40/368035240.db2.gz RPBJBYNTWWQWBZ-UHFFFAOYSA-N 1 3 247.386 1.460 20 0 BDADHO CN(CC[NH2+]C1CCNCC1)Cc1ccccc1 ZINC000386921957 368035247 /nfs/dbraw/zinc/03/52/47/368035247.db2.gz RPBJBYNTWWQWBZ-UHFFFAOYSA-N 1 3 247.386 1.460 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775083 368062204 /nfs/dbraw/zinc/06/22/04/368062204.db2.gz JYTSSSUCOZXTHI-DDHJBXDOSA-N 1 3 212.337 1.223 20 0 BDADHO C[NH+](C)CCCC(C)(C)NCc1cc[nH]n1 ZINC000387214210 368110667 /nfs/dbraw/zinc/11/06/67/368110667.db2.gz QXSCXFWGYGUXKC-UHFFFAOYSA-N 1 3 224.352 1.620 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@H]1CCCNC1 ZINC000581997172 368098743 /nfs/dbraw/zinc/09/87/43/368098743.db2.gz FNXQXMHGRHYGOA-QNSTZXKLSA-N 1 3 238.375 1.532 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOC2CCCC2)C1 ZINC000086404264 368881478 /nfs/dbraw/zinc/88/14/78/368881478.db2.gz BZYOZARDSSUSDY-NWDGAFQWSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H]1OCC[C@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000623657184 368998240 /nfs/dbraw/zinc/99/82/40/368998240.db2.gz KYKMQIYUBKZVCE-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1OCC[C@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623657184 368998241 /nfs/dbraw/zinc/99/82/41/368998241.db2.gz KYKMQIYUBKZVCE-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO Cn1ccc(C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623657098 368998255 /nfs/dbraw/zinc/99/82/55/368998255.db2.gz JTKXDWJMUNYIJL-ZDUSSCGKSA-N 1 3 235.375 1.847 20 0 BDADHO CC(C)COCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838668 369120219 /nfs/dbraw/zinc/12/02/19/369120219.db2.gz SMWIZYVRIVSOGD-VXGBXAGGSA-N 1 3 214.353 1.186 20 0 BDADHO CSCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250959321 369624305 /nfs/dbraw/zinc/62/43/05/369624305.db2.gz UDCNLRBJXQEVKE-MNOVXSKESA-N 1 3 214.378 1.566 20 0 BDADHO CSCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250959321 369624308 /nfs/dbraw/zinc/62/43/08/369624308.db2.gz UDCNLRBJXQEVKE-MNOVXSKESA-N 1 3 214.378 1.566 20 0 BDADHO C[C@H](c1cccnc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699922 370116882 /nfs/dbraw/zinc/11/68/82/370116882.db2.gz WYJDESBQTYMWOO-IJLUTSLNSA-N 1 3 219.332 1.812 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1CO ZINC000621372527 370309563 /nfs/dbraw/zinc/30/95/63/370309563.db2.gz XBEQLIWEWXGXTF-MGPQQGTHSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1CO ZINC000621372527 370309568 /nfs/dbraw/zinc/30/95/68/370309568.db2.gz XBEQLIWEWXGXTF-MGPQQGTHSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621372116 370309933 /nfs/dbraw/zinc/30/99/33/370309933.db2.gz PMPRXSGNPJCRQE-KBPBESRZSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621372116 370309934 /nfs/dbraw/zinc/30/99/34/370309934.db2.gz PMPRXSGNPJCRQE-KBPBESRZSA-N 1 3 242.407 1.669 20 0 BDADHO Cc1nccn1CCCN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784842 370537510 /nfs/dbraw/zinc/53/75/10/370537510.db2.gz VUTMNOKTSZLMRK-KGLIPLIRSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621784842 370537516 /nfs/dbraw/zinc/53/75/16/370537516.db2.gz VUTMNOKTSZLMRK-KGLIPLIRSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621784842 370537519 /nfs/dbraw/zinc/53/75/19/370537519.db2.gz VUTMNOKTSZLMRK-KGLIPLIRSA-N 1 3 248.374 1.395 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNC(=O)CN(CC)CC ZINC000066124917 370552123 /nfs/dbraw/zinc/55/21/23/370552123.db2.gz QRJMJQBIEBTNHT-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CN(CC)CC ZINC000066124917 370552129 /nfs/dbraw/zinc/55/21/29/370552129.db2.gz QRJMJQBIEBTNHT-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCn1cc(CCN2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000621775570 370523481 /nfs/dbraw/zinc/52/34/81/370523481.db2.gz SAPPDESVNQCIMK-DGCLKSJQSA-N 1 3 236.363 1.115 20 0 BDADHO [NH3+][C@@]12CCC[C@@H]1CN(CC1CCOCC1)C2 ZINC000621780567 370528851 /nfs/dbraw/zinc/52/88/51/370528851.db2.gz SQPMTSCEMBATGK-CHWSQXEVSA-N 1 3 224.348 1.226 20 0 BDADHO C[C@H]([NH2+]CC(C1CC1)C1CC1)C1CNC1 ZINC000568499430 326359672 /nfs/dbraw/zinc/35/96/72/326359672.db2.gz ZVRRPBCUUVKICS-VIFPVBQESA-N 1 3 208.349 1.620 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000623824044 371108375 /nfs/dbraw/zinc/10/83/75/371108375.db2.gz VMGYQAGMNXPKJI-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCOC2)C1 ZINC000624120633 371321302 /nfs/dbraw/zinc/32/13/02/371321302.db2.gz CYLSHPRAOFKQFR-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCOC2)C1 ZINC000624120633 371321304 /nfs/dbraw/zinc/32/13/04/371321304.db2.gz CYLSHPRAOFKQFR-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CCOC1 ZINC000624120540 371321372 /nfs/dbraw/zinc/32/13/72/371321372.db2.gz BKGAUVXZRUMSKN-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CCOC1CC([NH2+]C[C@@H]2CCCCN(C)C2)C1 ZINC000624122054 371323215 /nfs/dbraw/zinc/32/32/15/371323215.db2.gz ITQRXHGHDOQJCH-HSBZDZAISA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631823670 372586274 /nfs/dbraw/zinc/58/62/74/372586274.db2.gz KVZDCBNOLPCBEC-NNYUYHANSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631823670 372586279 /nfs/dbraw/zinc/58/62/79/372586279.db2.gz KVZDCBNOLPCBEC-NNYUYHANSA-N 1 3 212.337 1.081 20 0 BDADHO FCCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000631837218 372626490 /nfs/dbraw/zinc/62/64/90/372626490.db2.gz PFBJJHMDKGWHMK-GFCCVEGCSA-N 1 3 214.328 1.668 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H]2C)CC[C@H]1N ZINC000631824805 372603801 /nfs/dbraw/zinc/60/38/01/372603801.db2.gz QTTPCWQSEHPCJK-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)CC[C@H]1N ZINC000631824805 372603806 /nfs/dbraw/zinc/60/38/06/372603806.db2.gz QTTPCWQSEHPCJK-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCO[C@@H]2C)CC[C@H]1[NH3+] ZINC000631824805 372603812 /nfs/dbraw/zinc/60/38/12/372603812.db2.gz QTTPCWQSEHPCJK-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO OCC[NH2+]C1CCN(CCC2CCCC2)CC1 ZINC000631864240 372666488 /nfs/dbraw/zinc/66/64/88/372666488.db2.gz KVLVJMVWNSMSSR-UHFFFAOYSA-N 1 3 240.391 1.613 20 0 BDADHO CCOCC[N@@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631883900 372679369 /nfs/dbraw/zinc/67/93/69/372679369.db2.gz DAWMGYCYFGWGLD-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCC[N@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631883900 372679374 /nfs/dbraw/zinc/67/93/74/372679374.db2.gz DAWMGYCYFGWGLD-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO c1cncc(CC[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)c1 ZINC000631891032 372686733 /nfs/dbraw/zinc/68/67/33/372686733.db2.gz XLUCLDJSTFASCY-CABCVRRESA-N 1 3 245.370 1.698 20 0 BDADHO c1cncc(CC[N@H+]2CCC[C@@H]3CNCC[C@@H]32)c1 ZINC000631891032 372686741 /nfs/dbraw/zinc/68/67/41/372686741.db2.gz XLUCLDJSTFASCY-CABCVRRESA-N 1 3 245.370 1.698 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2ccncc2)C1 ZINC000459730603 206013140 /nfs/dbraw/zinc/01/31/40/206013140.db2.gz KTWLQWXCFWRJSY-CQSZACIVSA-N 1 3 233.359 1.903 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2ccncc2)C1 ZINC000459730603 206013145 /nfs/dbraw/zinc/01/31/45/206013145.db2.gz KTWLQWXCFWRJSY-CQSZACIVSA-N 1 3 233.359 1.903 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459734497 206013247 /nfs/dbraw/zinc/01/32/47/206013247.db2.gz CMJJGXCPQQZYMX-SYQHCUMBSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459734497 206013253 /nfs/dbraw/zinc/01/32/53/206013253.db2.gz CMJJGXCPQQZYMX-SYQHCUMBSA-N 1 3 238.375 1.770 20 0 BDADHO Cc1c[nH]nc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459777142 206015505 /nfs/dbraw/zinc/01/55/05/206015505.db2.gz KCNHDIMEWWGJIU-LBPRGKRZSA-N 1 3 236.363 1.540 20 0 BDADHO Cc1c[nH]nc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459777142 206015510 /nfs/dbraw/zinc/01/55/10/206015510.db2.gz KCNHDIMEWWGJIU-LBPRGKRZSA-N 1 3 236.363 1.540 20 0 BDADHO CN1CCC([NH2+]C[C@H](N)c2ccccc2)CC1 ZINC000437740539 206072394 /nfs/dbraw/zinc/07/23/94/206072394.db2.gz YRCWXWCUEORYQG-AWEZNQCLSA-N 1 3 233.359 1.370 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000178631495 134312029 /nfs/dbraw/zinc/31/20/29/134312029.db2.gz ZTJCXGSEZDFJGO-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000250397698 170397919 /nfs/dbraw/zinc/39/79/19/170397919.db2.gz PPAFFHSLSCRNGJ-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000250397698 170397920 /nfs/dbraw/zinc/39/79/20/170397920.db2.gz PPAFFHSLSCRNGJ-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000037619268 169007612 /nfs/dbraw/zinc/00/76/12/169007612.db2.gz KLNHHBTWRJJVMD-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000037619268 169007613 /nfs/dbraw/zinc/00/76/13/169007613.db2.gz KLNHHBTWRJJVMD-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCCN1CCC([NH2+]CCN(C)C(C)C)CC1 ZINC000054110738 169188216 /nfs/dbraw/zinc/18/82/16/169188216.db2.gz CPWKGYUXXSBUFP-UHFFFAOYSA-N 1 3 241.423 1.791 20 0 BDADHO CCCN1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000020073773 169203390 /nfs/dbraw/zinc/20/33/90/169203390.db2.gz RBTISLLEJXSJLP-CYBMUJFWSA-N 1 3 227.396 1.387 20 0 BDADHO CCC[C@@H](C)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000310090716 169357845 /nfs/dbraw/zinc/35/78/45/169357845.db2.gz DWXRQGADYNOEMS-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1ccccc1C[NH2+]CC ZINC000236788983 169392053 /nfs/dbraw/zinc/39/20/53/169392053.db2.gz LUIHSUPRWNSAEQ-GFCCVEGCSA-N 1 3 249.358 1.862 20 0 BDADHO C[C@@H]1CSCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000179249603 134319388 /nfs/dbraw/zinc/31/93/88/134319388.db2.gz URJKUOIPASQPNQ-NEPJUHHUSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H]1CSCC[N@H+]1CC[C@@H]1CCCN1C ZINC000179249603 134319389 /nfs/dbraw/zinc/31/93/89/134319389.db2.gz URJKUOIPASQPNQ-NEPJUHHUSA-N 1 3 228.405 1.908 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCCCCOC)C1 ZINC000226420612 134365747 /nfs/dbraw/zinc/36/57/47/134365747.db2.gz JKTHFQYJNBWODE-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000227425863 134380282 /nfs/dbraw/zinc/38/02/82/134380282.db2.gz VFRCXJKLFDHXQK-MGPQQGTHSA-N 1 3 242.407 1.892 20 0 BDADHO C[NH+](C)Cc1cccc(NC(=O)C2(N)CC2)c1 ZINC000088129937 383879832 /nfs/dbraw/zinc/87/98/32/383879832.db2.gz ZDXHHHJZDVNGLX-UHFFFAOYSA-N 1 3 233.315 1.178 20 0 BDADHO CC[C@@H]1CN(C)CCN1CCC[NH+]1CCCC1 ZINC000564880801 383935416 /nfs/dbraw/zinc/93/54/16/383935416.db2.gz FFGJPEDYPRYTGH-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CO[C@@H](CN[C@@H](C)CC[NH+](C)C)C1CC1 ZINC000400242111 383979379 /nfs/dbraw/zinc/97/93/79/383979379.db2.gz GNHSMDTZHJCVSY-JQWIXIFHSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1C[C@H](NCCCC[NH+](C)C)c2nccn21 ZINC000345364582 383976654 /nfs/dbraw/zinc/97/66/54/383976654.db2.gz XTBTYIRRKSQQEO-NEPJUHHUSA-N 1 3 236.363 1.820 20 0 BDADHO CO[C@@H](CN[C@@H](C)CC[NH+](C)C)CC(C)C ZINC000669572614 487528471 /nfs/dbraw/zinc/52/84/71/487528471.db2.gz VZRZALCWHVKFEW-QWHCGFSZSA-N 1 3 230.396 1.977 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401899550 384241389 /nfs/dbraw/zinc/24/13/89/384241389.db2.gz PPAHQHUBRRYUSZ-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000401899550 384241393 /nfs/dbraw/zinc/24/13/93/384241393.db2.gz PPAHQHUBRRYUSZ-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000401899550 384241396 /nfs/dbraw/zinc/24/13/96/384241396.db2.gz PPAHQHUBRRYUSZ-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO COC1(C[N@@H+]2C[C@@H](CN)C[C@@H]2C)CCCC1 ZINC000319230000 384215584 /nfs/dbraw/zinc/21/55/84/384215584.db2.gz VBNXAYLFBAIROM-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2C[C@@H](CN)C[C@@H]2C)CCCC1 ZINC000319230000 384215588 /nfs/dbraw/zinc/21/55/88/384215588.db2.gz VBNXAYLFBAIROM-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO NC[C@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357063 384279145 /nfs/dbraw/zinc/27/91/45/384279145.db2.gz SUVQLGVAMIOWQA-MNOVXSKESA-N 1 3 248.317 1.471 20 0 BDADHO NC[C@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357063 384279149 /nfs/dbraw/zinc/27/91/49/384279149.db2.gz SUVQLGVAMIOWQA-MNOVXSKESA-N 1 3 248.317 1.471 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000569576191 384280916 /nfs/dbraw/zinc/28/09/16/384280916.db2.gz HEPANHSUIQTIKX-JTQLQIEISA-N 1 3 247.342 1.126 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236261036 384300427 /nfs/dbraw/zinc/30/04/27/384300427.db2.gz SZGDAVAXPMSASG-UWVGGRQHSA-N 1 3 236.306 1.375 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOCC(F)F ZINC000236261036 384300434 /nfs/dbraw/zinc/30/04/34/384300434.db2.gz SZGDAVAXPMSASG-UWVGGRQHSA-N 1 3 236.306 1.375 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000168928724 384355048 /nfs/dbraw/zinc/35/50/48/384355048.db2.gz JKKPCTSJCNICJL-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000168928724 384355057 /nfs/dbraw/zinc/35/50/57/384355057.db2.gz JKKPCTSJCNICJL-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)NCCC[NH+](C)C ZINC000120033439 384324248 /nfs/dbraw/zinc/32/42/48/384324248.db2.gz JRIALFOICPVADS-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CN1CCC(O)(C[NH2+]C2CC(C)(C)C2)CC1 ZINC000335642434 384414591 /nfs/dbraw/zinc/41/45/91/384414591.db2.gz BSVWOHXACWHLPR-UHFFFAOYSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1NCCC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335644679 384418322 /nfs/dbraw/zinc/41/83/22/384418322.db2.gz XHNNNMJTVOQMFI-BXUZGUMPSA-N 1 3 237.391 1.343 20 0 BDADHO CSCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000084222151 384377511 /nfs/dbraw/zinc/37/75/11/384377511.db2.gz LCQVAGOWDGZYGU-VHSXEESVSA-N 1 3 202.367 1.457 20 0 BDADHO COCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000647513976 384428422 /nfs/dbraw/zinc/42/84/22/384428422.db2.gz ZLYGULLJDAXEEN-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO COCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000647513976 384428426 /nfs/dbraw/zinc/42/84/26/384428426.db2.gz ZLYGULLJDAXEEN-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)[NH2+]CCCNC1CCSCC1 ZINC000572593394 384516463 /nfs/dbraw/zinc/51/64/63/384516463.db2.gz PSWZCMBDLUBOHX-UHFFFAOYSA-N 1 3 216.394 1.860 20 0 BDADHO CC(C)NCCC[NH2+]C1CCSCC1 ZINC000572593394 384516466 /nfs/dbraw/zinc/51/64/66/384516466.db2.gz PSWZCMBDLUBOHX-UHFFFAOYSA-N 1 3 216.394 1.860 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590674 384518937 /nfs/dbraw/zinc/51/89/37/384518937.db2.gz PTPCHCLMAWZAIG-NXEZZACHSA-N 1 3 200.351 1.305 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000061590674 384518943 /nfs/dbraw/zinc/51/89/43/384518943.db2.gz PTPCHCLMAWZAIG-NXEZZACHSA-N 1 3 200.351 1.305 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000647179659 384531247 /nfs/dbraw/zinc/53/12/47/384531247.db2.gz KCGNELDTOIMMPQ-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647179659 384531249 /nfs/dbraw/zinc/53/12/49/384531249.db2.gz KCGNELDTOIMMPQ-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647179659 384531253 /nfs/dbraw/zinc/53/12/53/384531253.db2.gz KCGNELDTOIMMPQ-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000373060607 384544164 /nfs/dbraw/zinc/54/41/64/384544164.db2.gz XIOBUUURXUBZCM-GSPSYOTPSA-N 1 3 240.391 1.872 20 0 BDADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000373060607 384544167 /nfs/dbraw/zinc/54/41/67/384544167.db2.gz XIOBUUURXUBZCM-GSPSYOTPSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H](C)Cn1cccn1 ZINC000309738879 384569659 /nfs/dbraw/zinc/56/96/59/384569659.db2.gz HEIMYJVRQFWIKJ-VXGBXAGGSA-N 1 3 224.352 1.201 20 0 BDADHO CC(C)OCCC[NH+]1CCC(N(C)C)CC1 ZINC000171498918 384590323 /nfs/dbraw/zinc/59/03/23/384590323.db2.gz GOAKGBQHRFEVNZ-UHFFFAOYSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@H](COC)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404407 384647686 /nfs/dbraw/zinc/64/76/86/384647686.db2.gz OJDOEFKKROWIHP-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CN1CCC[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000044534690 384658766 /nfs/dbraw/zinc/65/87/66/384658766.db2.gz GTVWZUCUVJFKFH-CYBMUJFWSA-N 1 3 234.343 1.824 20 0 BDADHO C[C@H]1CC[C@H](NC2CCSCC2)C[NH2+]1 ZINC000306686083 384660930 /nfs/dbraw/zinc/66/09/30/384660930.db2.gz JULUPLWTVGSGGB-ONGXEEELSA-N 1 3 214.378 1.612 20 0 BDADHO CC1(F)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000258787544 384661245 /nfs/dbraw/zinc/66/12/45/384661245.db2.gz GLTYYRDNMQWTHC-NSHDSACASA-N 1 3 214.328 1.810 20 0 BDADHO CC1(F)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000258787544 384661257 /nfs/dbraw/zinc/66/12/57/384661257.db2.gz GLTYYRDNMQWTHC-NSHDSACASA-N 1 3 214.328 1.810 20 0 BDADHO COC1(C[NH2+]C[C@H](C)CN)CCCC1 ZINC000308516073 384777299 /nfs/dbraw/zinc/77/72/99/384777299.db2.gz NKOLYPVUUVSIAS-SNVBAGLBSA-N 1 3 200.326 1.130 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCSC1)CN(C)C ZINC000308588397 384826148 /nfs/dbraw/zinc/82/61/48/384826148.db2.gz UATZGVUMTMKDEV-MNOVXSKESA-N 1 3 216.394 1.669 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cnccc1N ZINC000423358595 384833261 /nfs/dbraw/zinc/83/32/61/384833261.db2.gz BWUNWJBSYKKCDH-HBNTYKKESA-N 1 3 234.347 1.415 20 0 BDADHO CC(C)CC[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077339226 384872235 /nfs/dbraw/zinc/87/22/35/384872235.db2.gz SWQTUJYQFGIOMJ-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)CC[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077339226 384872241 /nfs/dbraw/zinc/87/22/41/384872241.db2.gz SWQTUJYQFGIOMJ-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[C@H]1C1CC1 ZINC000423363675 384842762 /nfs/dbraw/zinc/84/27/62/384842762.db2.gz UVWDXGNQIWFQFI-AGIUHOORSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000259221238 384958398 /nfs/dbraw/zinc/95/83/98/384958398.db2.gz XOLHKZZQMZULET-QWHCGFSZSA-N 1 3 233.359 1.829 20 0 BDADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc2c(c1)OCO2 ZINC000310201913 384902217 /nfs/dbraw/zinc/90/22/17/384902217.db2.gz BWTMIOOWMSKGSI-VHSXEESVSA-N 1 3 236.315 1.661 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000310201914 384902270 /nfs/dbraw/zinc/90/22/70/384902270.db2.gz BWTMIOOWMSKGSI-ZJUUUORDSA-N 1 3 236.315 1.661 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000306016296 384919072 /nfs/dbraw/zinc/91/90/72/384919072.db2.gz RYPDKCRVIWFVOZ-HZSPNIEDSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000644525403 384935746 /nfs/dbraw/zinc/93/57/46/384935746.db2.gz GUVIKIVAGXVGSD-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCCC1 ZINC000644525403 384935753 /nfs/dbraw/zinc/93/57/53/384935753.db2.gz GUVIKIVAGXVGSD-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO Cc1ccc(CNC[C@H](C)C[NH3+])cc1C ZINC000258741682 384940897 /nfs/dbraw/zinc/94/08/97/384940897.db2.gz KZFLYEMKAGWVJI-SNVBAGLBSA-N 1 3 206.333 1.988 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256454 385004023 /nfs/dbraw/zinc/00/40/23/385004023.db2.gz GGWUZEJPPSUIQH-OLZOCXBDSA-N 1 3 221.348 1.977 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367239 385007116 /nfs/dbraw/zinc/00/71/16/385007116.db2.gz WNBJQRLDPRZVHT-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000310367239 385007121 /nfs/dbraw/zinc/00/71/21/385007121.db2.gz WNBJQRLDPRZVHT-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398181 385008828 /nfs/dbraw/zinc/00/88/28/385008828.db2.gz LPCNMDHMVCPNIL-ZDUSSCGKSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398181 385008832 /nfs/dbraw/zinc/00/88/32/385008832.db2.gz LPCNMDHMVCPNIL-ZDUSSCGKSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](NCC(C)(C)C[NH+](C)C)[C@H]1CCCO1 ZINC000336644718 385050987 /nfs/dbraw/zinc/05/09/87/385050987.db2.gz CMQNKFNDYFPBAI-NWDGAFQWSA-N 1 3 228.380 1.731 20 0 BDADHO CC1(C)[C@H](NCCc2ccccc2)C[C@@H]1[NH3+] ZINC000404789850 385062942 /nfs/dbraw/zinc/06/29/42/385062942.db2.gz QVDRLMAACBDANJ-QWHCGFSZSA-N 1 3 218.344 1.945 20 0 BDADHO CC(=O)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150842442 385067529 /nfs/dbraw/zinc/06/75/29/385067529.db2.gz VMLROBZCUPYJRU-ZDUSSCGKSA-N 1 3 224.348 1.383 20 0 BDADHO CC(=O)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150842442 385067536 /nfs/dbraw/zinc/06/75/36/385067536.db2.gz VMLROBZCUPYJRU-ZDUSSCGKSA-N 1 3 224.348 1.383 20 0 BDADHO C[C@](O)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403646 385043579 /nfs/dbraw/zinc/04/35/79/385043579.db2.gz LFZDCBIZEWOIRL-MJBXVCDLSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@](O)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000310403646 385043588 /nfs/dbraw/zinc/04/35/88/385043588.db2.gz LFZDCBIZEWOIRL-MJBXVCDLSA-N 1 3 238.375 1.364 20 0 BDADHO COC1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000622045335 385086209 /nfs/dbraw/zinc/08/62/09/385086209.db2.gz NKVJZJNYLSBBGP-WHXUTIOJSA-N 1 3 200.326 1.271 20 0 BDADHO CCN(C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540413 385157961 /nfs/dbraw/zinc/15/79/61/385157961.db2.gz WWZYGKBGEIAKAZ-ZIAGYGMSSA-N 1 3 233.359 1.673 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000644784224 385169284 /nfs/dbraw/zinc/16/92/84/385169284.db2.gz WKKJNCGJSSBYPI-QWHCGFSZSA-N 1 3 224.348 1.193 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000644784224 385169287 /nfs/dbraw/zinc/16/92/87/385169287.db2.gz WKKJNCGJSSBYPI-QWHCGFSZSA-N 1 3 224.348 1.193 20 0 BDADHO CC(C)OCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164662461 385223335 /nfs/dbraw/zinc/22/33/35/385223335.db2.gz XVGASSZFNNERDX-RYUDHWBXSA-N 1 3 214.353 1.328 20 0 BDADHO CC(C)OCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164662343 385223974 /nfs/dbraw/zinc/22/39/74/385223974.db2.gz XVGASSZFNNERDX-NEPJUHHUSA-N 1 3 214.353 1.328 20 0 BDADHO CC(C)[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000108323998 385233412 /nfs/dbraw/zinc/23/34/12/385233412.db2.gz CGECBUXDRCIOCS-CHWSQXEVSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000108323998 385233419 /nfs/dbraw/zinc/23/34/19/385233419.db2.gz CGECBUXDRCIOCS-CHWSQXEVSA-N 1 3 210.365 1.964 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000336352566 385240353 /nfs/dbraw/zinc/24/03/53/385240353.db2.gz YMWWKQCRULNQHY-GFCCVEGCSA-N 1 3 224.348 1.405 20 0 BDADHO C[NH+](C)CCCCNCc1ccccn1 ZINC000045598329 385271563 /nfs/dbraw/zinc/27/15/63/385271563.db2.gz BVYUWDLSBGTQOC-UHFFFAOYSA-N 1 3 207.321 1.513 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)CC(C)C)c1 ZINC000647096247 385287965 /nfs/dbraw/zinc/28/79/65/385287965.db2.gz KYQIEDSPQZSBDK-CYBMUJFWSA-N 1 3 249.358 1.766 20 0 BDADHO CC1(C)[C@H]([NH2+]CCOc2ccccc2)C[C@@H]1N ZINC000405285600 385452222 /nfs/dbraw/zinc/45/22/22/385452222.db2.gz FXDBFMNTBHJGAP-QWHCGFSZSA-N 1 3 234.343 1.781 20 0 BDADHO COC[C@H]([NH2+]CC[C@@H]1CCCN1C)C1CC1 ZINC000183427272 385545524 /nfs/dbraw/zinc/54/55/24/385545524.db2.gz JITDOZHYEACNBP-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](NCC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000183427272 385545528 /nfs/dbraw/zinc/54/55/28/385545528.db2.gz JITDOZHYEACNBP-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](NCC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000183427272 385545532 /nfs/dbraw/zinc/54/55/32/385545532.db2.gz JITDOZHYEACNBP-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO CCOC[C@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000414853411 385688451 /nfs/dbraw/zinc/68/84/51/385688451.db2.gz SINIOBBQZSYJCN-WCQYABFASA-N 1 3 228.380 1.909 20 0 BDADHO C(N[C@H]1CCC[C@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854412 385693471 /nfs/dbraw/zinc/69/34/71/385693471.db2.gz ZJOAPICCBKXLBZ-AVGNSLFASA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@H]1CCC[C@H]1C1CC1)[C@@H]1CCCN1 ZINC000414854412 385693475 /nfs/dbraw/zinc/69/34/75/385693475.db2.gz ZJOAPICCBKXLBZ-AVGNSLFASA-N 1 3 208.349 1.907 20 0 BDADHO Fc1cccnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794154 385734640 /nfs/dbraw/zinc/73/46/40/385734640.db2.gz SEDCIVXFVBRMFH-GRYCIOLGSA-N 1 3 249.333 1.698 20 0 BDADHO C[NH2+]CCCNC1Cc2ccccc2C1 ZINC000414860326 385747375 /nfs/dbraw/zinc/74/73/75/385747375.db2.gz PIYJBDFYLWGCLS-UHFFFAOYSA-N 1 3 204.317 1.353 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1ccn(C(C)C)n1 ZINC000414862110 385749828 /nfs/dbraw/zinc/74/98/28/385749828.db2.gz URONPVACUARYSW-LBPRGKRZSA-N 1 3 238.379 1.594 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCc2ccccc2C1 ZINC000414857194 385725007 /nfs/dbraw/zinc/72/50/07/385725007.db2.gz BTBRLLLZESGGCQ-CQSZACIVSA-N 1 3 218.344 1.743 20 0 BDADHO CNCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000414857194 385725012 /nfs/dbraw/zinc/72/50/12/385725012.db2.gz BTBRLLLZESGGCQ-CQSZACIVSA-N 1 3 218.344 1.743 20 0 BDADHO C[C@H](CCc1n[nH]c2ccccc12)N[C@@H](C)C[NH3+] ZINC000414947344 385803960 /nfs/dbraw/zinc/80/39/60/385803960.db2.gz UYJDWCOLJGAFPU-MNOVXSKESA-N 1 3 246.358 1.821 20 0 BDADHO C[C@H](N[C@H]1CCS[C@@H]1C)C1C[NH2+]C1 ZINC000647804175 385840621 /nfs/dbraw/zinc/84/06/21/385840621.db2.gz KQJFBEXCNDLTOJ-XKSSXDPKSA-N 1 3 200.351 1.078 20 0 BDADHO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)C1CNC1 ZINC000647804175 385840625 /nfs/dbraw/zinc/84/06/25/385840625.db2.gz KQJFBEXCNDLTOJ-XKSSXDPKSA-N 1 3 200.351 1.078 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000647804452 385841430 /nfs/dbraw/zinc/84/14/30/385841430.db2.gz QUPINFOYENDECL-XKNYDFJKSA-N 1 3 200.351 1.350 20 0 BDADHO CC[C@H](N)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262494197 385851238 /nfs/dbraw/zinc/85/12/38/385851238.db2.gz VWYJQEQYXHCUOQ-ZDUSSCGKSA-N 1 3 249.358 1.101 20 0 BDADHO COc1cccc(CCC[N@H+](C)CCCN)c1 ZINC000647848148 385898581 /nfs/dbraw/zinc/89/85/81/385898581.db2.gz HJUNTJLHBCNQAV-UHFFFAOYSA-N 1 3 236.359 1.908 20 0 BDADHO COc1cccc(CCC[N@@H+](C)CCCN)c1 ZINC000647848148 385898585 /nfs/dbraw/zinc/89/85/85/385898585.db2.gz HJUNTJLHBCNQAV-UHFFFAOYSA-N 1 3 236.359 1.908 20 0 BDADHO COCCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814844 385868517 /nfs/dbraw/zinc/86/85/17/385868517.db2.gz IHXLJXUPKPLBCZ-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000295151807 385978395 /nfs/dbraw/zinc/97/83/95/385978395.db2.gz CSLHTGACHDYOFC-WXHSDQCUSA-N 1 3 249.358 1.176 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC1Cc2ccccc2C1 ZINC000335042536 385936339 /nfs/dbraw/zinc/93/63/39/385936339.db2.gz SOYBJNUSFODWKF-ZIAGYGMSSA-N 1 3 216.328 1.623 20 0 BDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC1CC1 ZINC000335043749 385937012 /nfs/dbraw/zinc/93/70/12/385937012.db2.gz WVHUKJYJTQSQON-DZGCQCFKSA-N 1 3 244.338 1.994 20 0 BDADHO CC1([NH3+])CCN(CC[C@H]2CCCCO2)CC1 ZINC000647924093 385939978 /nfs/dbraw/zinc/93/99/78/385939978.db2.gz FAIPRMUIYVSNKW-GFCCVEGCSA-N 1 3 226.364 1.759 20 0 BDADHO CCN(CC)CCC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000338281967 385948764 /nfs/dbraw/zinc/94/87/64/385948764.db2.gz NWXWLUBBDCGSDJ-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000338281967 385948766 /nfs/dbraw/zinc/94/87/66/385948766.db2.gz NWXWLUBBDCGSDJ-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO C[NH+](C)CCCN[C@H]1CCc2ccccc2OC1 ZINC000338326817 385960194 /nfs/dbraw/zinc/96/01/94/385960194.db2.gz UHXBKWQCJLMMOL-AWEZNQCLSA-N 1 3 248.370 1.922 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000335059890 385961721 /nfs/dbraw/zinc/96/17/21/385961721.db2.gz FZFAOMYVHNQYEG-ZYHUDNBSSA-N 1 3 247.342 1.030 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1cccc(COC)c1 ZINC000414973176 385999529 /nfs/dbraw/zinc/99/95/29/385999529.db2.gz BWJVXKKTKHAYFB-ZDUSSCGKSA-N 1 3 222.332 1.660 20 0 BDADHO CN(CCN1CCCC1)C[C@H]1CCC[N@@H+]1C ZINC000643256095 386000680 /nfs/dbraw/zinc/00/06/80/386000680.db2.gz QZVAOMCRCBKOIX-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO CN(CCN1CCCC1)C[C@H]1CCC[N@H+]1C ZINC000643256095 386000682 /nfs/dbraw/zinc/00/06/82/386000682.db2.gz QZVAOMCRCBKOIX-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO COC1(CN2CC[C@@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000309504240 386013428 /nfs/dbraw/zinc/01/34/28/386013428.db2.gz MOAJWTLPQBCLRA-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@@H+]2CC[C@@H](N)[C@@H](C)C2)CCCC1 ZINC000309504240 386013433 /nfs/dbraw/zinc/01/34/33/386013433.db2.gz MOAJWTLPQBCLRA-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2CC[C@@H](N)[C@@H](C)C2)CCCC1 ZINC000309504240 386013437 /nfs/dbraw/zinc/01/34/37/386013437.db2.gz MOAJWTLPQBCLRA-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO CN(C[C@@H](O)C[NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000336753425 386024363 /nfs/dbraw/zinc/02/43/63/386024363.db2.gz WHUOGMQLKARIIQ-ZJUUUORDSA-N 1 3 236.306 1.063 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414978016 386036089 /nfs/dbraw/zinc/03/60/89/386036089.db2.gz KXTUXAUWKUKBET-ZDUSSCGKSA-N 1 3 244.342 1.699 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccccc1OC ZINC000414982261 386065973 /nfs/dbraw/zinc/06/59/73/386065973.db2.gz CNTFSNPUYVRCGS-AAEUAGOBSA-N 1 3 236.359 1.953 20 0 BDADHO [NH3+][C@@H](CN[C@H]1CCc2ccccc2C1)C1CC1 ZINC000414886731 386077030 /nfs/dbraw/zinc/07/70/30/386077030.db2.gz HWBPSLPCLJOUHF-GJZGRUSLSA-N 1 3 230.355 1.871 20 0 BDADHO [NH3+][C@H](CN[C@H]1CCc2ccccc2C1)C1CC1 ZINC000414886740 386078483 /nfs/dbraw/zinc/07/84/83/386078483.db2.gz HWBPSLPCLJOUHF-LSDHHAIUSA-N 1 3 230.355 1.871 20 0 BDADHO COC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365424649 386087710 /nfs/dbraw/zinc/08/77/10/386087710.db2.gz XWPINOSWNHDECU-RYUDHWBXSA-N 1 3 214.353 1.437 20 0 BDADHO COC[C@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365424649 386087712 /nfs/dbraw/zinc/08/77/12/386087712.db2.gz XWPINOSWNHDECU-RYUDHWBXSA-N 1 3 214.353 1.437 20 0 BDADHO CCC[N@H+](CCO)C[C@H](N)CC(C)C ZINC000414679965 386162125 /nfs/dbraw/zinc/16/21/25/386162125.db2.gz MMRFJUPGTOKWSA-LLVKDONJSA-N 1 3 202.342 1.064 20 0 BDADHO CCC[N@@H+](CCO)C[C@H](N)CC(C)C ZINC000414679965 386162129 /nfs/dbraw/zinc/16/21/29/386162129.db2.gz MMRFJUPGTOKWSA-LLVKDONJSA-N 1 3 202.342 1.064 20 0 BDADHO CC[C@@H](C(=O)N(CC)CCC[NH+](C)C)N(C)C ZINC000338893700 386169703 /nfs/dbraw/zinc/16/97/03/386169703.db2.gz YBEOFIOCALYKEU-LBPRGKRZSA-N 1 3 243.395 1.127 20 0 BDADHO C[C@H](CC[NH3+])NCc1cccc2c[nH]nc21 ZINC000414894624 386175795 /nfs/dbraw/zinc/17/57/95/386175795.db2.gz ZSGLZVASKPDKRZ-SECBINFHSA-N 1 3 218.304 1.390 20 0 BDADHO CCCCOCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164647012 386176083 /nfs/dbraw/zinc/17/60/83/386176083.db2.gz ZVCAIADUJZJGST-CHWSQXEVSA-N 1 3 228.380 1.720 20 0 BDADHO [NH3+]CCCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000414693192 386187686 /nfs/dbraw/zinc/18/76/86/386187686.db2.gz LHQDYSQJLCGKSH-GFCCVEGCSA-N 1 3 222.307 1.964 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)OC)[C@H](C)C1 ZINC000188119165 386188769 /nfs/dbraw/zinc/18/87/69/386188769.db2.gz MVYMPXPVNGPWEO-UTUOFQBUSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@@H](C)OC)[C@H](C)C1 ZINC000188119165 386188779 /nfs/dbraw/zinc/18/87/79/386188779.db2.gz MVYMPXPVNGPWEO-UTUOFQBUSA-N 1 3 214.353 1.341 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000414674866 386141938 /nfs/dbraw/zinc/14/19/38/386141938.db2.gz SGHWCVMTBJLHJC-TUAOUCFPSA-N 1 3 234.347 1.277 20 0 BDADHO CC[C@H]([NH3+])CNCCCc1ccc2c(c1)CCO2 ZINC000414990108 386142059 /nfs/dbraw/zinc/14/20/59/386142059.db2.gz OSENLSHZAYMIJR-AWEZNQCLSA-N 1 3 248.370 1.881 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000414674864 386142397 /nfs/dbraw/zinc/14/23/97/386142397.db2.gz SGHWCVMTBJLHJC-SRVKXCTJSA-N 1 3 234.347 1.277 20 0 BDADHO [NH3+]CCCN(CCCO)[C@@H]1CCc2ccccc21 ZINC000414697716 386201012 /nfs/dbraw/zinc/20/10/12/386201012.db2.gz QCRHTURCNKJJAT-OAHLLOKOSA-N 1 3 248.370 1.707 20 0 BDADHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN)C1(C)C ZINC000414697220 386202131 /nfs/dbraw/zinc/20/21/31/386202131.db2.gz IGYCNKWIUHCCRJ-GHMZBOCLSA-N 1 3 214.353 1.471 20 0 BDADHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN)C1(C)C ZINC000414697220 386202133 /nfs/dbraw/zinc/20/21/33/386202133.db2.gz IGYCNKWIUHCCRJ-GHMZBOCLSA-N 1 3 214.353 1.471 20 0 BDADHO CS[C@H]1CCCC[N@H+](CCCN)C1 ZINC000414699754 386205845 /nfs/dbraw/zinc/20/58/45/386205845.db2.gz FJMNTHFANUMNAJ-JTQLQIEISA-N 1 3 202.367 1.553 20 0 BDADHO CS[C@H]1CCCC[N@@H+](CCCN)C1 ZINC000414699754 386205847 /nfs/dbraw/zinc/20/58/47/386205847.db2.gz FJMNTHFANUMNAJ-JTQLQIEISA-N 1 3 202.367 1.553 20 0 BDADHO CS[C@H]1CCCCN(CCC[NH3+])C1 ZINC000414699754 386205849 /nfs/dbraw/zinc/20/58/49/386205849.db2.gz FJMNTHFANUMNAJ-JTQLQIEISA-N 1 3 202.367 1.553 20 0 BDADHO C[C@H](CC1CCOCC1)CN1CCC[C@@H]1C[NH3+] ZINC000347084874 386242194 /nfs/dbraw/zinc/24/21/94/386242194.db2.gz CIOOPEKCAFZMLK-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO COc1ccccc1C[C@H](C)NC[C@@H]([NH3+])C1CC1 ZINC000414895759 386192567 /nfs/dbraw/zinc/19/25/67/386192567.db2.gz ZIHUCSRHJOKJFJ-SMDDNHRTSA-N 1 3 248.370 1.953 20 0 BDADHO COc1ccccc1C[C@@H](C)NC[C@@H]([NH3+])C1CC1 ZINC000414895756 386194508 /nfs/dbraw/zinc/19/45/08/386194508.db2.gz ZIHUCSRHJOKJFJ-BXUZGUMPSA-N 1 3 248.370 1.953 20 0 BDADHO Cc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414900644 386280597 /nfs/dbraw/zinc/28/05/97/386280597.db2.gz WHSZBXUFOOHFJV-CYBMUJFWSA-N 1 3 204.317 1.822 20 0 BDADHO Cc1nn(C)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415005600 386298196 /nfs/dbraw/zinc/29/81/96/386298196.db2.gz JGFBXPLBRDPXFR-UONOGXRCSA-N 1 3 248.374 1.206 20 0 BDADHO Cc1c[nH]nc1C[NH2+]CCCCn1ccnc1C ZINC000289445531 386307708 /nfs/dbraw/zinc/30/77/08/386307708.db2.gz GLDLOJOTBRYWDX-UHFFFAOYSA-N 1 3 247.346 1.793 20 0 BDADHO COC1CC([NH2+]C[C@@H]2CCCN(C(C)C)C2)C1 ZINC000347304593 386308546 /nfs/dbraw/zinc/30/85/46/386308546.db2.gz DJOUNMDALBRJRU-HSBZDZAISA-N 1 3 240.391 1.874 20 0 BDADHO COC1CC(NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000347304593 386308550 /nfs/dbraw/zinc/30/85/50/386308550.db2.gz DJOUNMDALBRJRU-HSBZDZAISA-N 1 3 240.391 1.874 20 0 BDADHO COC1CC(NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000347304593 386308554 /nfs/dbraw/zinc/30/85/54/386308554.db2.gz DJOUNMDALBRJRU-HSBZDZAISA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](CN2CCOCC23CCC3)CC[NH2+]1 ZINC000335260611 386318303 /nfs/dbraw/zinc/31/83/03/386318303.db2.gz ZKUXYCNXZXDZAQ-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CN(CC[NH2+]C(C)(C)C)[C@@H](C)CN1C ZINC000414739142 386321245 /nfs/dbraw/zinc/32/12/45/386321245.db2.gz JYBMTERMIWWGRV-NEPJUHHUSA-N 1 3 227.396 1.399 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cn2cccn2)C1 ZINC000347185024 386271969 /nfs/dbraw/zinc/27/19/69/386271969.db2.gz HRYYWSYVGIIJLZ-OLZOCXBDSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)Cn2cccn2)C1 ZINC000347185024 386271974 /nfs/dbraw/zinc/27/19/74/386271974.db2.gz HRYYWSYVGIIJLZ-OLZOCXBDSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@H](C)Cn2cccn2)C1 ZINC000347185024 386271981 /nfs/dbraw/zinc/27/19/81/386271981.db2.gz HRYYWSYVGIIJLZ-OLZOCXBDSA-N 1 3 236.363 1.203 20 0 BDADHO COC1CCC(N(C)C[C@H]2CC[NH2+]C2)CC1 ZINC000647885672 386279076 /nfs/dbraw/zinc/27/90/76/386279076.db2.gz CUQJJLSUBOHVEW-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)[C@@H](C(C)C)C1 ZINC000414744857 386342010 /nfs/dbraw/zinc/34/20/10/386342010.db2.gz QHKWDNZGWMOVIU-UONOGXRCSA-N 1 3 241.423 1.632 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCC[C@]2(CCCOC2)C1 ZINC000647888186 386342502 /nfs/dbraw/zinc/34/25/02/386342502.db2.gz YBGXHYDCAGNJES-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO CCn1nc(CNCCCC[NH3+])c2ccccc21 ZINC000414905281 386355929 /nfs/dbraw/zinc/35/59/29/386355929.db2.gz NVIQBLAILYKUDI-UHFFFAOYSA-N 1 3 246.358 1.885 20 0 BDADHO c1ccc2c(c1)CC(NCC[C@H]1CCC[NH2+]1)C2 ZINC000414905150 386356202 /nfs/dbraw/zinc/35/62/02/386356202.db2.gz MZKYMDPZGSHGPU-CQSZACIVSA-N 1 3 230.355 1.886 20 0 BDADHO CC[C@]1(CO)CCCN1C[C@H]([NH3+])CC(C)C ZINC000414748263 386360562 /nfs/dbraw/zinc/36/05/62/386360562.db2.gz WMSZJUAFTFGPQP-CHWSQXEVSA-N 1 3 228.380 1.597 20 0 BDADHO Cc1c[nH]nc1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000289593711 386332583 /nfs/dbraw/zinc/33/25/83/386332583.db2.gz UHVWECVUEMSDMD-JTQLQIEISA-N 1 3 247.346 1.649 20 0 BDADHO c1ccc([C@@H]2CNCCN2C[C@@H]2CC[NH2+]C2)cc1 ZINC000647992614 386446773 /nfs/dbraw/zinc/44/67/73/386446773.db2.gz RZWDVTNVNKMEIY-HIFRSBDPSA-N 1 3 245.370 1.242 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H](C)Cc1cnccn1 ZINC000347353319 386391961 /nfs/dbraw/zinc/39/19/61/386391961.db2.gz ACEOAHOWRPPUNT-NEPJUHHUSA-N 1 3 236.363 1.337 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)NC1CCSCC1 ZINC000414907699 386393201 /nfs/dbraw/zinc/39/32/01/386393201.db2.gz QWTCXQDCFKBWTL-SNVBAGLBSA-N 1 3 214.378 1.614 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336700646 386400739 /nfs/dbraw/zinc/40/07/39/386400739.db2.gz KNJOMLOCDKGBTK-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336700646 386400745 /nfs/dbraw/zinc/40/07/45/386400745.db2.gz KNJOMLOCDKGBTK-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO Cc1ccc(CCCN2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000339408676 386413878 /nfs/dbraw/zinc/41/38/78/386413878.db2.gz URZQKDOIPLBCKI-DZGCQCFKSA-N 1 3 247.386 1.992 20 0 BDADHO COc1cc(C)nc(CNCCCC[NH3+])c1 ZINC000414909429 386415725 /nfs/dbraw/zinc/41/57/25/386415725.db2.gz REXMPVNQWLIRGW-UHFFFAOYSA-N 1 3 223.320 1.227 20 0 BDADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000414909733 386416958 /nfs/dbraw/zinc/41/69/58/386416958.db2.gz CJHGSWGZPZDECA-QWHCGFSZSA-N 1 3 247.342 1.145 20 0 BDADHO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](C)N ZINC000442663569 386418274 /nfs/dbraw/zinc/41/82/74/386418274.db2.gz HVCRIZULYNQSAJ-CMPLNLGQSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](C)N ZINC000442663569 386418279 /nfs/dbraw/zinc/41/82/79/386418279.db2.gz HVCRIZULYNQSAJ-CMPLNLGQSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1c(CN2CCC([C@@H](C)[NH3+])CC2)cnn1C ZINC000093651367 386433219 /nfs/dbraw/zinc/43/32/19/386433219.db2.gz KXROHTIINLSYIQ-SNVBAGLBSA-N 1 3 236.363 1.288 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCOC2)C[C@@H]1CN ZINC000397312739 386435401 /nfs/dbraw/zinc/43/54/01/386435401.db2.gz PKKOKHACEFXEJF-RQJABVFESA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCOC2)C[C@@H]1CN ZINC000397312739 386435407 /nfs/dbraw/zinc/43/54/07/386435407.db2.gz PKKOKHACEFXEJF-RQJABVFESA-N 1 3 240.391 1.718 20 0 BDADHO Cc1ncccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000414787899 386528619 /nfs/dbraw/zinc/52/86/19/386528619.db2.gz CWPFVIUKOZLCHJ-WCQYABFASA-N 1 3 219.332 1.607 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414780336 386494480 /nfs/dbraw/zinc/49/44/80/386494480.db2.gz LIKUCWYIHKKDKM-FRRDWIJNSA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414780336 386494484 /nfs/dbraw/zinc/49/44/84/386494484.db2.gz LIKUCWYIHKKDKM-FRRDWIJNSA-N 1 3 238.375 1.330 20 0 BDADHO COc1cc(C)nc(CN[C@@H](C)CCC[NH3+])c1 ZINC000415016531 386503132 /nfs/dbraw/zinc/50/31/32/386503132.db2.gz CQGSFAXQNORNPR-JTQLQIEISA-N 1 3 237.347 1.616 20 0 BDADHO COC(=O)c1ccc(CN[C@H](C)CCC[NH3+])o1 ZINC000415020255 386508549 /nfs/dbraw/zinc/50/85/49/386508549.db2.gz JLNGVGPJNKEZGW-SECBINFHSA-N 1 3 240.303 1.283 20 0 BDADHO C1CC2(C1)[C@H]([NH2+]C1CCNCC1)[C@H]1CCO[C@@H]12 ZINC000414784461 386513121 /nfs/dbraw/zinc/51/31/21/386513121.db2.gz SISMTPXGYQFRGM-UPJWGTAASA-N 1 3 236.359 1.286 20 0 BDADHO C1CC2(C1)[C@H](NC1CC[NH2+]CC1)[C@H]1CCO[C@@H]12 ZINC000414784461 386513125 /nfs/dbraw/zinc/51/31/25/386513125.db2.gz SISMTPXGYQFRGM-UPJWGTAASA-N 1 3 236.359 1.286 20 0 BDADHO CC(C)CC[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000415033173 386521115 /nfs/dbraw/zinc/52/11/15/386521115.db2.gz GQIIZVIDJNEAJK-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO C1CC([C@@H]2CC[C@@H]2[NH2+]C2CCNCC2)C1 ZINC000335452327 386526963 /nfs/dbraw/zinc/52/69/63/386526963.db2.gz OIMYWUVDHXPNIV-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](CN)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000414922121 386590787 /nfs/dbraw/zinc/59/07/87/386590787.db2.gz BYEQHLYDITVFOU-SECBINFHSA-N 1 3 233.290 1.811 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000415082783 386593948 /nfs/dbraw/zinc/59/39/48/386593948.db2.gz OVSGBMRNQBIJDA-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415082791 386594030 /nfs/dbraw/zinc/59/40/30/386594030.db2.gz OVSGBMRNQBIJDA-ZDEQEGDKSA-N 1 3 226.364 1.532 20 0 BDADHO CCN1CCCC[C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000415083285 386594896 /nfs/dbraw/zinc/59/48/96/386594896.db2.gz PQMJGMSTQHUKGS-KBPBESRZSA-N 1 3 239.407 1.450 20 0 BDADHO C[C@@H](NCC(C)(C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000336644709 386595313 /nfs/dbraw/zinc/59/53/13/386595313.db2.gz CMQNKFNDYFPBAI-NEPJUHHUSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@]1(CN2CCN(CC3CC3)CC2)CC[NH2+]C1 ZINC000062911729 386532919 /nfs/dbraw/zinc/53/29/19/386532919.db2.gz WUVVEIQQPITVNI-AWEZNQCLSA-N 1 3 237.391 1.014 20 0 BDADHO c1ccc([C@@H]2CNC[C@H]2[NH2+]CC2CC2)cc1 ZINC000415057487 386539442 /nfs/dbraw/zinc/53/94/42/386539442.db2.gz UKFIGANQINBUHA-UONOGXRCSA-N 1 3 216.328 1.742 20 0 BDADHO C[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1C ZINC000415061945 386541483 /nfs/dbraw/zinc/54/14/83/386541483.db2.gz LUAPEEWCPHQXMW-HKLHZYFVSA-N 1 3 208.349 1.619 20 0 BDADHO CC(C)[C@H](N)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414789948 386542185 /nfs/dbraw/zinc/54/21/85/386542185.db2.gz GBWHHOCIXUGOTL-GFCCVEGCSA-N 1 3 232.331 1.636 20 0 BDADHO C([NH2+][C@@H]1CCCC12CCCC2)C1CNC1 ZINC000335463734 386548302 /nfs/dbraw/zinc/54/83/02/386548302.db2.gz ZFPCMVBNCMNGRB-GFCCVEGCSA-N 1 3 208.349 1.908 20 0 BDADHO C[N@H+](C[C@H](O)CN)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065391 386548749 /nfs/dbraw/zinc/54/87/49/386548749.db2.gz GBVHPRNXOATLCO-MJBXVCDLSA-N 1 3 234.343 1.042 20 0 BDADHO C[N@@H+](C[C@H](O)CN)C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065391 386548754 /nfs/dbraw/zinc/54/87/54/386548754.db2.gz GBVHPRNXOATLCO-MJBXVCDLSA-N 1 3 234.343 1.042 20 0 BDADHO CN(C[C@H](O)C[NH3+])C[C@@H]1C[C@H]1c1ccccc1 ZINC000415065391 386548760 /nfs/dbraw/zinc/54/87/60/386548760.db2.gz GBVHPRNXOATLCO-MJBXVCDLSA-N 1 3 234.343 1.042 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000308538038 386551367 /nfs/dbraw/zinc/55/13/67/386551367.db2.gz GSRJTRQJRYYWKB-OUAUKWLOSA-N 1 3 200.326 1.128 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762391 386551839 /nfs/dbraw/zinc/55/18/39/386551839.db2.gz AXPHYGUBFQLJIA-UPOSSJBDSA-N 1 3 212.337 1.007 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414793109 386565169 /nfs/dbraw/zinc/56/51/69/386565169.db2.gz JUENMMQTRWRMQH-UMSGYPCISA-N 1 3 238.375 1.517 20 0 BDADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414793231 386565337 /nfs/dbraw/zinc/56/53/37/386565337.db2.gz JZBZGPWIRJNZJD-LBPRGKRZSA-N 1 3 246.358 1.646 20 0 BDADHO C[C@H](N)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000335409375 386571761 /nfs/dbraw/zinc/57/17/61/386571761.db2.gz YCIAZEIQNGMKMO-NSHDSACASA-N 1 3 226.364 1.472 20 0 BDADHO C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCNC1 ZINC000415103711 386625338 /nfs/dbraw/zinc/62/53/38/386625338.db2.gz CWLSWCRAZPMCMP-NDBYEHHHSA-N 1 3 208.349 1.764 20 0 BDADHO C[NH2+]CCCN(C)CCCc1ccc(C)nc1 ZINC000415119927 386632711 /nfs/dbraw/zinc/63/27/11/386632711.db2.gz FWAGBJPSRHZDAC-UHFFFAOYSA-N 1 3 235.375 1.864 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H](C)Cn1cccn1 ZINC000414815587 386648438 /nfs/dbraw/zinc/64/84/38/386648438.db2.gz XROHMQPZOGQSTF-LLVKDONJSA-N 1 3 224.352 1.379 20 0 BDADHO CC(C)(N)C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000415086933 386604379 /nfs/dbraw/zinc/60/43/79/386604379.db2.gz VKFFVDDSCANCGE-GFCCVEGCSA-N 1 3 233.359 1.592 20 0 BDADHO CC(C)(N)C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000415086935 386605321 /nfs/dbraw/zinc/60/53/21/386605321.db2.gz VKFFVDDSCANCGE-LBPRGKRZSA-N 1 3 233.359 1.592 20 0 BDADHO CC[C@H]([NH2+]CCNC(C)(C)C)[C@H]1CCCO1 ZINC000415087647 386606599 /nfs/dbraw/zinc/60/65/99/386606599.db2.gz WHPXGYIJLKFGIS-NWDGAFQWSA-N 1 3 228.380 1.922 20 0 BDADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000428119844 386662353 /nfs/dbraw/zinc/66/23/53/386662353.db2.gz JJYALWSVTMZAJC-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN1 ZINC000414820080 386664942 /nfs/dbraw/zinc/66/49/42/386664942.db2.gz AFHVMFKJZVFHSZ-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](COC)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826845 386687257 /nfs/dbraw/zinc/68/72/57/386687257.db2.gz WTRUQBCXLKRELV-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](COC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000414826845 386687262 /nfs/dbraw/zinc/68/72/62/386687262.db2.gz WTRUQBCXLKRELV-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)(C)[NH2+]CCNC[C@H](N)c1ccccc1 ZINC000414827128 386687679 /nfs/dbraw/zinc/68/76/79/386687679.db2.gz GPJYTRGUGBNTKH-ZDUSSCGKSA-N 1 3 235.375 1.664 20 0 BDADHO CCN1CCC([NH2+][C@H](CN)CC(C)C)CC1 ZINC000414836264 386731163 /nfs/dbraw/zinc/73/11/63/386731163.db2.gz IIZLTIXIEARBHL-ZDUSSCGKSA-N 1 3 227.396 1.434 20 0 BDADHO CC[NH2+]CCNC[C@H](C)CC1CCOCC1 ZINC000414837437 386735081 /nfs/dbraw/zinc/73/50/81/386735081.db2.gz XKOTWCUHYANQQW-GFCCVEGCSA-N 1 3 228.380 1.638 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414832568 386716504 /nfs/dbraw/zinc/71/65/04/386716504.db2.gz FEMNKDLDPNNREA-WUHRBBMRSA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414832568 386716508 /nfs/dbraw/zinc/71/65/08/386716508.db2.gz FEMNKDLDPNNREA-WUHRBBMRSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@H]1CC2(CN1Cc1nccn1C)CC[NH2+]CC2 ZINC000335543948 386727882 /nfs/dbraw/zinc/72/78/82/386727882.db2.gz NVHWXGPTBRPXEZ-LBPRGKRZSA-N 1 3 248.374 1.384 20 0 BDADHO CC[C@H](COC)N[C@H](C[NH3+])CC(C)C ZINC000414840095 386746886 /nfs/dbraw/zinc/74/68/86/386746886.db2.gz MGNHPSLKPZHIFU-MNOVXSKESA-N 1 3 202.342 1.374 20 0 BDADHO COCc1ccc(C[NH2+][C@@H]2CNCC[C@H]2C)cc1 ZINC000414931557 386763213 /nfs/dbraw/zinc/76/32/13/386763213.db2.gz QEJVJOARNUUMOL-IUODEOHRSA-N 1 3 248.370 1.921 20 0 BDADHO Cc1ccc(CCC[NH2+]C[C@H]2CCCNC2)cn1 ZINC000414844250 386763596 /nfs/dbraw/zinc/76/35/96/386763596.db2.gz CPFAFWLDJXBDID-OAHLLOKOSA-N 1 3 247.386 1.912 20 0 BDADHO Cc1ccc(CCCNC[C@H]2CCC[NH2+]C2)cn1 ZINC000414844250 386763601 /nfs/dbraw/zinc/76/36/01/386763601.db2.gz CPFAFWLDJXBDID-OAHLLOKOSA-N 1 3 247.386 1.912 20 0 BDADHO CCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417834253 386792427 /nfs/dbraw/zinc/79/24/27/386792427.db2.gz MRFYRHNFFYQUJY-NEPJUHHUSA-N 1 3 241.379 1.138 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417834256 386793402 /nfs/dbraw/zinc/79/34/02/386793402.db2.gz MRFYRHNFFYQUJY-RYUDHWBXSA-N 1 3 241.379 1.138 20 0 BDADHO CNC[C@H](C)C[NH2+]C1CCSCC1 ZINC000414844484 386775226 /nfs/dbraw/zinc/77/52/26/386775226.db2.gz RNLGVSODXDZKMN-VIFPVBQESA-N 1 3 202.367 1.327 20 0 BDADHO CCCC[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000357639671 386818905 /nfs/dbraw/zinc/81/89/05/386818905.db2.gz VOGHKZYDDBNUAC-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](C[C@H](C)O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341289175 386864269 /nfs/dbraw/zinc/86/42/69/386864269.db2.gz URNSNESAUAEKJL-NEPJUHHUSA-N 1 3 242.407 1.998 20 0 BDADHO Cc1cn[nH]c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000334840989 386885985 /nfs/dbraw/zinc/88/59/85/386885985.db2.gz FQYKHFLZASLMEC-ZDUSSCGKSA-N 1 3 248.374 1.540 20 0 BDADHO C[C@H](Cc1ccccc1F)N[C@@H](C)C[NH3+] ZINC000414941586 386887225 /nfs/dbraw/zinc/88/72/25/386887225.db2.gz IYFHXFVVECQTHX-ZJUUUORDSA-N 1 3 210.296 1.694 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CC[NH2+]C[C@H]1C ZINC000414943213 386896280 /nfs/dbraw/zinc/89/62/80/386896280.db2.gz NNUOOGWILDNHFY-GHMZBOCLSA-N 1 3 242.363 1.163 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCNC[C@H]1C ZINC000414943213 386896285 /nfs/dbraw/zinc/89/62/85/386896285.db2.gz NNUOOGWILDNHFY-GHMZBOCLSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H](CN)[NH2+]Cc1cccc2c1NCC2 ZINC000414943446 386907452 /nfs/dbraw/zinc/90/74/52/386907452.db2.gz LVNTUBWWHIKJPC-VIFPVBQESA-N 1 3 205.305 1.091 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856231 386909183 /nfs/dbraw/zinc/90/91/83/386909183.db2.gz HELSRTADXIKENJ-ZWNOBZJWSA-N 1 3 244.342 1.651 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@@H](C2CCC2)C1 ZINC000334856492 386909635 /nfs/dbraw/zinc/90/96/35/386909635.db2.gz ZKSMUDOCOBLHOP-CQSZACIVSA-N 1 3 238.375 1.487 20 0 BDADHO CN(C)C1(CNC(N)=[NH2+])CCCCCC1 ZINC000331903851 386924767 /nfs/dbraw/zinc/92/47/67/386924767.db2.gz RTPCGRWFRIADHH-UHFFFAOYSA-N 1 3 212.341 1.124 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CCN1 ZINC000334871105 386930269 /nfs/dbraw/zinc/93/02/69/386930269.db2.gz XVUIFEPVDMYONK-FZMZJTMJSA-N 1 3 230.355 1.884 20 0 BDADHO C[C@H]1C[C@@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871105 386930274 /nfs/dbraw/zinc/93/02/74/386930274.db2.gz XVUIFEPVDMYONK-FZMZJTMJSA-N 1 3 230.355 1.884 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000332046949 386947724 /nfs/dbraw/zinc/94/77/24/386947724.db2.gz VGJBCXHOFFGEHJ-HBNTYKKESA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000352902879 386955921 /nfs/dbraw/zinc/95/59/21/386955921.db2.gz SPFLNQHMZATZCE-YRGRVCCFSA-N 1 3 239.407 1.399 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2O)CC1 ZINC000334889488 386962472 /nfs/dbraw/zinc/96/24/72/386962472.db2.gz ZRGCCDNNTFUYED-CHWSQXEVSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CCCCN1 ZINC000332644900 386996538 /nfs/dbraw/zinc/99/65/38/386996538.db2.gz SJHJZITWOZNBSS-WCFLWFBJSA-N 1 3 248.374 1.387 20 0 BDADHO N[C@@H](C(=O)Nc1cccc(C[NH3+])c1)C1CCC1 ZINC000643425979 386996606 /nfs/dbraw/zinc/99/66/06/386996606.db2.gz AUDODRLVNNAEIH-GFCCVEGCSA-N 1 3 233.315 1.211 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000359034316 387046544 /nfs/dbraw/zinc/04/65/44/387046544.db2.gz YSQPBSRTIRMHFU-MCIONIFRSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H](CC(N)=O)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000341966994 387011284 /nfs/dbraw/zinc/01/12/84/387011284.db2.gz JAQLVFSWCUMNIE-NSHDSACASA-N 1 3 249.358 1.102 20 0 BDADHO C[C@@H](CC(N)=O)NCc1cccc(C[NH+](C)C)c1 ZINC000341966994 387011285 /nfs/dbraw/zinc/01/12/85/387011285.db2.gz JAQLVFSWCUMNIE-NSHDSACASA-N 1 3 249.358 1.102 20 0 BDADHO C[C@H](N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCC[NH2+]1 ZINC000333227059 387023321 /nfs/dbraw/zinc/02/33/21/387023321.db2.gz BDAJQBUNTZFQHP-QJPTWQEYSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H](N[C@@H]1CCc2[nH]cnc2C1)[C@H]1CCCC[NH2+]1 ZINC000333227059 387023324 /nfs/dbraw/zinc/02/33/24/387023324.db2.gz BDAJQBUNTZFQHP-QJPTWQEYSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCCN1 ZINC000333227059 387023325 /nfs/dbraw/zinc/02/33/25/387023325.db2.gz BDAJQBUNTZFQHP-QJPTWQEYSA-N 1 3 248.374 1.387 20 0 BDADHO C(CN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]C1 ZINC000085540497 387069892 /nfs/dbraw/zinc/06/98/92/387069892.db2.gz DGLIUSZWRAOTAA-RWMBFGLXSA-N 1 3 224.348 1.239 20 0 BDADHO C[NH+](C)C[C@@]1(O)CCCN(CCCCF)C1 ZINC000639766911 387070901 /nfs/dbraw/zinc/07/09/01/387070901.db2.gz PQHRAWOUPDCKEM-LBPRGKRZSA-N 1 3 232.343 1.125 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000228329627 387081858 /nfs/dbraw/zinc/08/18/58/387081858.db2.gz ZGAXGIOKAZGFNJ-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000228329627 387081861 /nfs/dbraw/zinc/08/18/61/387081861.db2.gz ZGAXGIOKAZGFNJ-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOC(C)C)[C@@H](C)C1 ZINC000228619279 387113164 /nfs/dbraw/zinc/11/31/64/387113164.db2.gz DUSBSCPYPNTXIF-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOC(C)C)[C@@H](C)C1 ZINC000228619279 387113169 /nfs/dbraw/zinc/11/31/69/387113169.db2.gz DUSBSCPYPNTXIF-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000423308724 387143051 /nfs/dbraw/zinc/14/30/51/387143051.db2.gz YETWKPJZENARCB-CHWSQXEVSA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C ZINC000423308724 387143055 /nfs/dbraw/zinc/14/30/55/387143055.db2.gz YETWKPJZENARCB-CHWSQXEVSA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)O[C@H]1C[C@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423311871 387147881 /nfs/dbraw/zinc/14/78/81/387147881.db2.gz UOBNRGRFGKRVSI-WOPDTQHZSA-N 1 3 228.380 1.763 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2ccccc2OC1 ZINC000423311236 387149213 /nfs/dbraw/zinc/14/92/13/387149213.db2.gz TVCDMWAVVJKTAJ-WCQYABFASA-N 1 3 234.343 1.565 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000423311236 387149216 /nfs/dbraw/zinc/14/92/16/387149216.db2.gz TVCDMWAVVJKTAJ-WCQYABFASA-N 1 3 234.343 1.565 20 0 BDADHO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](C)CN ZINC000423312452 387149293 /nfs/dbraw/zinc/14/92/93/387149293.db2.gz VEZLMUKHUZKUKA-QWHCGFSZSA-N 1 3 235.375 1.977 20 0 BDADHO c1cncc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000249910572 387150985 /nfs/dbraw/zinc/15/09/85/387150985.db2.gz NNGFNXBMGMWBOO-GJZGRUSLSA-N 1 3 245.370 1.841 20 0 BDADHO c1cncc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000249910572 387150990 /nfs/dbraw/zinc/15/09/90/387150990.db2.gz NNGFNXBMGMWBOO-GJZGRUSLSA-N 1 3 245.370 1.841 20 0 BDADHO Cc1ccncc1[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423315241 387155289 /nfs/dbraw/zinc/15/52/89/387155289.db2.gz ZIINERSGNHFCLY-GXSJLCMTSA-N 1 3 207.321 1.635 20 0 BDADHO CCCCO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423315618 387156818 /nfs/dbraw/zinc/15/68/18/387156818.db2.gz ABGWSNOSCURIOE-IJLUTSLNSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)NCC1([NH3+])CCC1 ZINC000423325109 387168685 /nfs/dbraw/zinc/16/86/85/387168685.db2.gz KUSZTNOBJQAQJT-GFCCVEGCSA-N 1 3 236.363 1.379 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000370673766 387133617 /nfs/dbraw/zinc/13/36/17/387133617.db2.gz PORXELYCRYPVLA-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000370673766 387133623 /nfs/dbraw/zinc/13/36/23/387133623.db2.gz PORXELYCRYPVLA-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CNC2)cc1 ZINC000423302845 387134267 /nfs/dbraw/zinc/13/42/67/387134267.db2.gz KSVPUQPVRHJMTL-NEPJUHHUSA-N 1 3 248.370 1.996 20 0 BDADHO COc1ccc([C@H](C)[C@H](C)NCC2C[NH2+]C2)cc1 ZINC000423302845 387134271 /nfs/dbraw/zinc/13/42/71/387134271.db2.gz KSVPUQPVRHJMTL-NEPJUHHUSA-N 1 3 248.370 1.996 20 0 BDADHO C[C@H]([NH2+]CC1CNC1)C1C(C)(C)C1(C)C ZINC000423302197 387134645 /nfs/dbraw/zinc/13/46/45/387134645.db2.gz JFWPJFOTBZYEOD-VIFPVBQESA-N 1 3 210.365 1.866 20 0 BDADHO C[C@@H](NC[C@@H](C)C[NH3+])c1cccc(CO)c1 ZINC000423303150 387136927 /nfs/dbraw/zinc/13/69/27/387136927.db2.gz WORDDWMJNZKOHN-WDEREUQCSA-N 1 3 222.332 1.424 20 0 BDADHO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423305828 387141112 /nfs/dbraw/zinc/14/11/12/387141112.db2.gz RSXPXLPZWQLXKU-VHSXEESVSA-N 1 3 236.281 1.917 20 0 BDADHO CC(C)[C@H](CCO)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000300408939 387205549 /nfs/dbraw/zinc/20/55/49/387205549.db2.gz SZRBZBOEGVXBAI-IHRRRGAJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408939 387205553 /nfs/dbraw/zinc/20/55/53/387205553.db2.gz SZRBZBOEGVXBAI-IHRRRGAJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408939 387205557 /nfs/dbraw/zinc/20/55/57/387205557.db2.gz SZRBZBOEGVXBAI-IHRRRGAJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000229972816 387206753 /nfs/dbraw/zinc/20/67/53/387206753.db2.gz YKTJECAPHREVRT-HZSPNIEDSA-N 1 3 234.343 1.738 20 0 BDADHO CCN1C[C@@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356309 387207293 /nfs/dbraw/zinc/20/72/93/387207293.db2.gz GMTFSATUTVKATG-JHJVBQTASA-N 1 3 225.380 1.058 20 0 BDADHO CCN(C)CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423356533 387207484 /nfs/dbraw/zinc/20/74/84/387207484.db2.gz KDYRZJAABPCNED-NSHDSACASA-N 1 3 249.358 1.388 20 0 BDADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)N(C)C)cc1 ZINC000423356121 387207648 /nfs/dbraw/zinc/20/76/48/387207648.db2.gz QATQACZAYJVLMC-GHMZBOCLSA-N 1 3 249.358 1.386 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(CC)CC ZINC000423360678 387211909 /nfs/dbraw/zinc/21/19/09/387211909.db2.gz GDWOLBIZHJALJN-TUAOUCFPSA-N 1 3 228.380 1.907 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423366640 387218108 /nfs/dbraw/zinc/21/81/08/387218108.db2.gz CSFNHDVMNQQCBY-QNWHQSFQSA-N 1 3 225.380 1.057 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C12CCCC2 ZINC000423368581 387221557 /nfs/dbraw/zinc/22/15/57/387221557.db2.gz NJLTZGNLRMHOSQ-QJPTWQEYSA-N 1 3 226.364 1.661 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000423403273 387237459 /nfs/dbraw/zinc/23/74/59/387237459.db2.gz RYWWZUTYGQIVHP-XUXIUFHCSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1(C)C ZINC000423404709 387239782 /nfs/dbraw/zinc/23/97/82/387239782.db2.gz ZDVIENGSRPJOJZ-ZDEQEGDKSA-N 1 3 240.391 1.920 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423404709 387239785 /nfs/dbraw/zinc/23/97/85/387239785.db2.gz ZDVIENGSRPJOJZ-ZDEQEGDKSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CN1C1CC1 ZINC000423403615 387240484 /nfs/dbraw/zinc/24/04/84/387240484.db2.gz YQXCHVDGZGMPDU-MNXVOIDGSA-N 1 3 237.391 1.342 20 0 BDADHO CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414577 387247160 /nfs/dbraw/zinc/24/71/60/387247160.db2.gz NERMOHBJMCANIO-KGLIPLIRSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423467070 387315149 /nfs/dbraw/zinc/31/51/49/387315149.db2.gz YVXBOWIOWQNCME-KIJLLGNVSA-N 1 3 208.349 1.763 20 0 BDADHO CCC[C@H]([NH2+]C[C@@H]1CNC[C@H]1O)C(C)(C)C ZINC000423428864 387255521 /nfs/dbraw/zinc/25/55/21/387255521.db2.gz OPGFZOQWFDQKBQ-TUAOUCFPSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423375677 387257944 /nfs/dbraw/zinc/25/79/44/387257944.db2.gz DBPWQWLJHKDTAQ-FRRDWIJNSA-N 1 3 239.407 1.304 20 0 BDADHO CCN[C@H](C)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423382989 387264972 /nfs/dbraw/zinc/26/49/72/387264972.db2.gz OYQTUDXEVCHOKH-OCCSQVGLSA-N 1 3 248.370 1.968 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H](C)O1 ZINC000423382119 387265636 /nfs/dbraw/zinc/26/56/36/387265636.db2.gz JUXCQUDYIRXPQN-ZETOZRRWSA-N 1 3 246.354 1.945 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423385208 387269105 /nfs/dbraw/zinc/26/91/05/387269105.db2.gz QQBNQVDZHPPKJD-GRYCIOLGSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H](O)CCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000572249382 387278734 /nfs/dbraw/zinc/27/87/34/387278734.db2.gz HPYIEJBQYNKVQK-LBPRGKRZSA-N 1 3 248.370 1.535 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1NC[C@H](C)[NH2+]C ZINC000423394603 387280542 /nfs/dbraw/zinc/28/05/42/387280542.db2.gz QJVGDUHPASCJFS-SRVKXCTJSA-N 1 3 214.353 1.389 20 0 BDADHO NC[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000302238941 387281542 /nfs/dbraw/zinc/28/15/42/387281542.db2.gz CDZRHEQTEXXIKU-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO NC[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302238941 387281547 /nfs/dbraw/zinc/28/15/47/387281547.db2.gz CDZRHEQTEXXIKU-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO C1CC1[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423430994 387281745 /nfs/dbraw/zinc/28/17/45/387281745.db2.gz NAXYKJHOZFAWEH-RQJABVFESA-N 1 3 220.360 1.763 20 0 BDADHO C1CCC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@H]12 ZINC000423433055 387284360 /nfs/dbraw/zinc/28/43/60/387284360.db2.gz MUOKWVPKTHUGLV-PRSXHHODSA-N 1 3 248.370 1.142 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423438337 387287561 /nfs/dbraw/zinc/28/75/61/387287561.db2.gz RHVKVTRJNFZEKG-GCHJQGSQSA-N 1 3 208.349 1.619 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423437671 387288817 /nfs/dbraw/zinc/28/88/17/387288817.db2.gz GLDSZZQKZLKIFZ-WHOHXGKFSA-N 1 3 228.380 1.904 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@@H](C)[NH3+])C12CCC2 ZINC000423440326 387290961 /nfs/dbraw/zinc/29/09/61/387290961.db2.gz IOFJPTPXTOQYQS-NOOOWODRSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H](CCC[NH3+])N[C@H](C)c1ccncc1F ZINC000423443378 387293319 /nfs/dbraw/zinc/29/33/19/387293319.db2.gz AIYNCXVPCQCNEV-NXEZZACHSA-N 1 3 225.311 1.999 20 0 BDADHO Cc1ncc(CNCC2CC[NH+](C)CC2)n1C ZINC000514798895 387294629 /nfs/dbraw/zinc/29/46/29/387294629.db2.gz MKVJTHYKZYLYNP-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cccs2)C1 ZINC000160572036 387303616 /nfs/dbraw/zinc/30/36/16/387303616.db2.gz UIPRNJNAECUJFO-ZJUUUORDSA-N 1 3 210.346 1.917 20 0 BDADHO COC[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1CCCC1 ZINC000423457864 387306949 /nfs/dbraw/zinc/30/69/49/387306949.db2.gz GFXCFJLBFYJXLZ-SCVCMEIPSA-N 1 3 214.353 1.517 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccncc1 ZINC000423459802 387308317 /nfs/dbraw/zinc/30/83/17/387308317.db2.gz IKAXYTNULFOKIK-SCVCMEIPSA-N 1 3 207.321 1.858 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423481547 387363483 /nfs/dbraw/zinc/36/34/83/387363483.db2.gz WVPXGTNHHCKIJT-QCNOEVLYSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCNCC[C@H]2C)CCO1 ZINC000423559059 387375832 /nfs/dbraw/zinc/37/58/32/387375832.db2.gz SXSWFJRQXKBDMI-SYQHCUMBSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)CCO1 ZINC000423559058 387376279 /nfs/dbraw/zinc/37/62/79/387376279.db2.gz SXSWFJRQXKBDMI-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000515404015 387377475 /nfs/dbraw/zinc/37/74/75/387377475.db2.gz BAHJPRZVEJJVCS-ZJUUUORDSA-N 1 3 208.305 1.693 20 0 BDADHO CC[C@H](C)[C@@H](CN[C@@H](C)CC[NH+](C)C)OC ZINC000648659528 387379799 /nfs/dbraw/zinc/37/97/99/387379799.db2.gz SRCJTMMARXDSGP-RWMBFGLXSA-N 1 3 230.396 1.977 20 0 BDADHO C[C@@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474863 387321339 /nfs/dbraw/zinc/32/13/39/387321339.db2.gz HTRDWWIACRSSGL-OUAUKWLOSA-N 1 3 247.333 1.104 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475178 387322005 /nfs/dbraw/zinc/32/20/05/387322005.db2.gz RSMAMGGZIVFPCY-FVCCEPFGSA-N 1 3 238.375 1.661 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[NH2+]C1CC1 ZINC000423519237 387352961 /nfs/dbraw/zinc/35/29/61/387352961.db2.gz DBSPKLNHGHWUIS-VHSXEESVSA-N 1 3 200.326 1.142 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]CCCNC1CC1 ZINC000423519237 387352965 /nfs/dbraw/zinc/35/29/65/387352965.db2.gz DBSPKLNHGHWUIS-VHSXEESVSA-N 1 3 200.326 1.142 20 0 BDADHO CN(CCC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1O ZINC000352665059 387426854 /nfs/dbraw/zinc/42/68/54/387426854.db2.gz DEVKFXBFFCBGPE-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216847 387440706 /nfs/dbraw/zinc/44/07/06/387440706.db2.gz UYEUDUSAUCFYEM-UTUOFQBUSA-N 1 3 212.337 1.273 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000361405167 387455187 /nfs/dbraw/zinc/45/51/87/387455187.db2.gz WTQOBTSVDCFBOD-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](O)C1(C)C ZINC000361405167 387455192 /nfs/dbraw/zinc/45/51/92/387455192.db2.gz WTQOBTSVDCFBOD-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCCCCO)C1 ZINC000304294965 387458612 /nfs/dbraw/zinc/45/86/12/387458612.db2.gz FGBBVTLWOPLWNN-CYBMUJFWSA-N 1 3 228.380 1.423 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCCCCO)C1 ZINC000304294965 387458615 /nfs/dbraw/zinc/45/86/15/387458615.db2.gz FGBBVTLWOPLWNN-CYBMUJFWSA-N 1 3 228.380 1.423 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCCCCO)C1 ZINC000304294965 387458616 /nfs/dbraw/zinc/45/86/16/387458616.db2.gz FGBBVTLWOPLWNN-CYBMUJFWSA-N 1 3 228.380 1.423 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCCCCO)C1 ZINC000304294965 387458618 /nfs/dbraw/zinc/45/86/18/387458618.db2.gz FGBBVTLWOPLWNN-CYBMUJFWSA-N 1 3 228.380 1.423 20 0 BDADHO CC1(C)SC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000307093281 387530052 /nfs/dbraw/zinc/53/00/52/387530052.db2.gz CSUDBBIHBROWPX-NXEZZACHSA-N 1 3 214.378 1.612 20 0 BDADHO CC[C@H](C(=O)N(C)CCC[NH2+]C)N(CC)CC ZINC000424018772 387466888 /nfs/dbraw/zinc/46/68/88/387466888.db2.gz JWOJRNDWTNAPMB-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)CC[NH3+] ZINC000424048883 387469891 /nfs/dbraw/zinc/46/98/91/387469891.db2.gz SSTGJYACYLJPBJ-PHIMTYICSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000643471022 387477834 /nfs/dbraw/zinc/47/78/34/387477834.db2.gz LXYUMJQNINQUKO-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO CCC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375989859 387599471 /nfs/dbraw/zinc/59/94/71/387599471.db2.gz JZWKFVFZNQJBJB-LBPRGKRZSA-N 1 3 247.342 1.398 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCC[C@H]1N ZINC000422708264 387622936 /nfs/dbraw/zinc/62/29/36/387622936.db2.gz ISTVTSITBPASTD-VXGBXAGGSA-N 1 3 213.369 1.188 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000124595762 387623580 /nfs/dbraw/zinc/62/35/80/387623580.db2.gz QPTMQSPCGKCMGM-XJFOESAGSA-N 1 3 240.391 1.514 20 0 BDADHO CC[NH2+]CC1CCN(CCOCC2CC2)CC1 ZINC000430578245 387629775 /nfs/dbraw/zinc/62/97/75/387629775.db2.gz DYVIEFTVUSDYHO-UHFFFAOYSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCOC1 ZINC000397150593 387545542 /nfs/dbraw/zinc/54/55/42/387545542.db2.gz LVJCQJXGQUCLKX-YNEHKIRRSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2CN)CCOC1 ZINC000397150592 387545885 /nfs/dbraw/zinc/54/58/85/387545885.db2.gz LVJCQJXGQUCLKX-RWMBFGLXSA-N 1 3 226.364 1.520 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266628 387552853 /nfs/dbraw/zinc/55/28/53/387552853.db2.gz ZFJPPVDUMGBDTL-MGPQQGTHSA-N 1 3 240.391 1.706 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266628 387552858 /nfs/dbraw/zinc/55/28/58/387552858.db2.gz ZFJPPVDUMGBDTL-MGPQQGTHSA-N 1 3 240.391 1.706 20 0 BDADHO Cc1ncsc1CCN[C@](C)(C[NH3+])C(C)C ZINC000430547318 387627363 /nfs/dbraw/zinc/62/73/63/387627363.db2.gz KSPVZDKRPQDHTF-GFCCVEGCSA-N 1 3 241.404 1.957 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422791553 387694162 /nfs/dbraw/zinc/69/41/62/387694162.db2.gz YQLUZCCCNJWEJZ-JHJVBQTASA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(N(C)C)c1 ZINC000422721157 387634059 /nfs/dbraw/zinc/63/40/59/387634059.db2.gz UTFNKXSCDTVPAD-VXGBXAGGSA-N 1 3 235.375 1.968 20 0 BDADHO CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@H]1N ZINC000422725473 387636410 /nfs/dbraw/zinc/63/64/10/387636410.db2.gz BMGOUNKUYOTKHU-MCIONIFRSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H]([NH2+]CCCc1ccccc1)C1CNC1 ZINC000422729491 387638422 /nfs/dbraw/zinc/63/84/22/387638422.db2.gz IEZDWHGLNXGBRO-LBPRGKRZSA-N 1 3 218.344 1.817 20 0 BDADHO C[C@H](NCCCc1ccccc1)C1C[NH2+]C1 ZINC000422729491 387638424 /nfs/dbraw/zinc/63/84/24/387638424.db2.gz IEZDWHGLNXGBRO-LBPRGKRZSA-N 1 3 218.344 1.817 20 0 BDADHO CCOCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422735061 387642599 /nfs/dbraw/zinc/64/25/99/387642599.db2.gz UKJFDNAETIIDQJ-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H](NC[C@H](C)N(C)C1CC1)[C@H]1CCC[NH2+]1 ZINC000422737404 387645413 /nfs/dbraw/zinc/64/54/13/387645413.db2.gz IAOIYJJKTMDZLR-DMDPSCGWSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)N(C)C ZINC000422738128 387645623 /nfs/dbraw/zinc/64/56/23/387645623.db2.gz JFKKLBQDBMCVRH-WOPDTQHZSA-N 1 3 213.369 1.186 20 0 BDADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744909 387648052 /nfs/dbraw/zinc/64/80/52/387648052.db2.gz UIZVVFAWLVUWQV-LSDHHAIUSA-N 1 3 248.370 1.929 20 0 BDADHO CCN(CC)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422741575 387648379 /nfs/dbraw/zinc/64/83/79/387648379.db2.gz DUVBGFWYXQERQY-FUNVUKJBSA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746701 387651029 /nfs/dbraw/zinc/65/10/29/387651029.db2.gz WYOYHQNTXVMIEF-BNOWGMLFSA-N 1 3 237.391 1.343 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@H](C)[NH3+] ZINC000430805623 387654660 /nfs/dbraw/zinc/65/46/60/387654660.db2.gz FULHQRCQHURXDN-NSHDSACASA-N 1 3 249.358 1.732 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCn1cnc2ccccc21 ZINC000422755272 387658581 /nfs/dbraw/zinc/65/85/81/387658581.db2.gz GOEXXAFJXAQZEN-RYUDHWBXSA-N 1 3 244.342 1.506 20 0 BDADHO CC[C@H](NC[C@@H]1CCCN1CC)[C@@H]1CCC[NH2+]1 ZINC000422755595 387658851 /nfs/dbraw/zinc/65/88/51/387658851.db2.gz KRGHPSQDGCUDHO-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](NCCN(C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753317 387659366 /nfs/dbraw/zinc/65/93/66/387659366.db2.gz GDGZVFFVQHXUDY-ZDUSSCGKSA-N 1 3 247.386 1.316 20 0 BDADHO CN(C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422757863 387660013 /nfs/dbraw/zinc/66/00/13/387660013.db2.gz NDSKSBRZGBLAMX-RRFJBIMHSA-N 1 3 247.386 1.759 20 0 BDADHO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)c1ccccc1 ZINC000422757863 387660018 /nfs/dbraw/zinc/66/00/18/387660018.db2.gz NDSKSBRZGBLAMX-RRFJBIMHSA-N 1 3 247.386 1.759 20 0 BDADHO Cc1ccc(OCC[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422759064 387661385 /nfs/dbraw/zinc/66/13/85/387661385.db2.gz OUOZLLBIUWAUFE-KGLIPLIRSA-N 1 3 234.343 1.843 20 0 BDADHO CSC[C@H](C)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000422756894 387661579 /nfs/dbraw/zinc/66/15/79/387661579.db2.gz MCIMTRNJFXBYKF-AXFHLTTASA-N 1 3 216.394 1.988 20 0 BDADHO Cc1ccccc1CCN[C@H](C)C1C[NH2+]C1 ZINC000422762837 387663160 /nfs/dbraw/zinc/66/31/60/387663160.db2.gz MWNCRYJFKSWFJF-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccccc1CC[NH2+][C@H](C)C1CNC1 ZINC000422762837 387663165 /nfs/dbraw/zinc/66/31/65/387663165.db2.gz MWNCRYJFKSWFJF-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO C[C@@H](NC[C@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759718 387663510 /nfs/dbraw/zinc/66/35/10/387663510.db2.gz LFHFYRDYKNECRZ-TZMCWYRMSA-N 1 3 248.370 1.035 20 0 BDADHO C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)C1CNC1 ZINC000422759718 387663514 /nfs/dbraw/zinc/66/35/14/387663514.db2.gz LFHFYRDYKNECRZ-TZMCWYRMSA-N 1 3 248.370 1.035 20 0 BDADHO Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422764853 387665824 /nfs/dbraw/zinc/66/58/24/387665824.db2.gz OPYGIDLVZYROAJ-BPLDGKMQSA-N 1 3 248.370 1.837 20 0 BDADHO C[C@@H]([NH3+])CCNC(=O)c1ccccc1CN(C)C ZINC000422776409 387671979 /nfs/dbraw/zinc/67/19/79/387671979.db2.gz DLUHAKXYKDECLP-LLVKDONJSA-N 1 3 249.358 1.215 20 0 BDADHO CCCCOCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422776537 387673320 /nfs/dbraw/zinc/67/33/20/387673320.db2.gz CVTHXIIOKTYXJF-FRRDWIJNSA-N 1 3 244.379 1.145 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)[C@H](N)CC1CCCCC1 ZINC000422776576 387674195 /nfs/dbraw/zinc/67/41/95/387674195.db2.gz DADGQRHUHCIBCB-CMPLNLGQSA-N 1 3 241.379 1.138 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000422782858 387681272 /nfs/dbraw/zinc/68/12/72/387681272.db2.gz NLNMAKKDKXKYQW-ZDEQEGDKSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCOCC1CC1 ZINC000422782943 387681926 /nfs/dbraw/zinc/68/19/26/387681926.db2.gz KHESJBUCDZRDHE-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H](Cc1ccccc1F)N[C@@H](C)C1C[NH2+]C1 ZINC000422744472 387689339 /nfs/dbraw/zinc/68/93/39/387689339.db2.gz WDCKTYUMNSXSRG-QWRGUYRKSA-N 1 3 236.334 1.954 20 0 BDADHO C[C@@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CNC1 ZINC000422744472 387689348 /nfs/dbraw/zinc/68/93/48/387689348.db2.gz WDCKTYUMNSXSRG-QWRGUYRKSA-N 1 3 236.334 1.954 20 0 BDADHO CCOC[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000044688324 387690085 /nfs/dbraw/zinc/69/00/85/387690085.db2.gz FENNUXIFLWGNER-GFCCVEGCSA-N 1 3 228.380 1.874 20 0 BDADHO CC1(C)[C@H]([NH2+]C2CCNCC2)[C@@H]2CCCO[C@H]21 ZINC000422788475 387690635 /nfs/dbraw/zinc/69/06/35/387690635.db2.gz VLKTTZFLJNLFTO-YNEHKIRRSA-N 1 3 238.375 1.532 20 0 BDADHO CC1(C)[C@H](NC2CC[NH2+]CC2)[C@@H]2CCCO[C@H]21 ZINC000422788475 387690639 /nfs/dbraw/zinc/69/06/39/387690639.db2.gz VLKTTZFLJNLFTO-YNEHKIRRSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H](NCCN1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862088 387744700 /nfs/dbraw/zinc/74/47/00/387744700.db2.gz NJVMRFHSXYPWOY-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO CCN(CCN[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000422876908 387756344 /nfs/dbraw/zinc/75/63/44/387756344.db2.gz GRKZTBBYPVUQPH-MNOVXSKESA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H](NC[C@H](C)N1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422869793 387749710 /nfs/dbraw/zinc/74/97/10/387749710.db2.gz YATXJORIZGMFBL-FRRDWIJNSA-N 1 3 239.407 1.304 20 0 BDADHO CN(C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188726474 387750226 /nfs/dbraw/zinc/75/02/26/387750226.db2.gz CDNGUFMOIZPQQG-CYBMUJFWSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)CN1C1CC1 ZINC000422871870 387750493 /nfs/dbraw/zinc/75/04/93/387750493.db2.gz ZXQXANVCUAXFRP-BYNQJWBRSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000422873312 387753044 /nfs/dbraw/zinc/75/30/44/387753044.db2.gz KZKOYQCRYSZTAB-BLFANLJRSA-N 1 3 225.380 1.185 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(CCO)CCCC1 ZINC000422802691 387703527 /nfs/dbraw/zinc/70/35/27/387703527.db2.gz BSGKIDMWPWDWQU-OLZOCXBDSA-N 1 3 240.391 1.517 20 0 BDADHO COCc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422806862 387705244 /nfs/dbraw/zinc/70/52/44/387705244.db2.gz NZNGIQFJAODQNQ-UONOGXRCSA-N 1 3 234.343 1.802 20 0 BDADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422806365 387706312 /nfs/dbraw/zinc/70/63/12/387706312.db2.gz KMRXSBOXCGKSBI-RWMBFGLXSA-N 1 3 228.380 1.635 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)C(C)C ZINC000422806365 387706317 /nfs/dbraw/zinc/70/63/17/387706317.db2.gz KMRXSBOXCGKSBI-RWMBFGLXSA-N 1 3 228.380 1.635 20 0 BDADHO COCc1ccccc1C[NH2+][C@@H]1CNCC[C@@H]1C ZINC000422808950 387707713 /nfs/dbraw/zinc/70/77/13/387707713.db2.gz QZDYWKGDRMNRCY-SWLSCSKDSA-N 1 3 248.370 1.921 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422808596 387708062 /nfs/dbraw/zinc/70/80/62/387708062.db2.gz OOLJXUHUWNZYRR-GARJFASQSA-N 1 3 202.342 1.373 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCCCCO)CC1 ZINC000377267430 387708239 /nfs/dbraw/zinc/70/82/39/387708239.db2.gz PGPIXJBWBXJXTE-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCCCCO)CC1 ZINC000377267430 387708244 /nfs/dbraw/zinc/70/82/44/387708244.db2.gz PGPIXJBWBXJXTE-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCCCCO)CC1 ZINC000377267430 387708248 /nfs/dbraw/zinc/70/82/48/387708248.db2.gz PGPIXJBWBXJXTE-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422808560 387709255 /nfs/dbraw/zinc/70/92/55/387709255.db2.gz OKLZXFUNFLCZDX-UONOGXRCSA-N 1 3 234.343 1.802 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C(C)(C)C ZINC000422811563 387709614 /nfs/dbraw/zinc/70/96/14/387709614.db2.gz PEDUGZJXCRPAOK-GMTAPVOTSA-N 1 3 214.353 1.517 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000422813074 387710395 /nfs/dbraw/zinc/71/03/95/387710395.db2.gz RKBFOGPGALYIJU-NEPJUHHUSA-N 1 3 230.396 1.891 20 0 BDADHO C[C@@H](C(=O)Nc1cccc2c1CNCC2)[C@H](C)[NH3+] ZINC000367513879 387718156 /nfs/dbraw/zinc/71/81/56/387718156.db2.gz OUFPHNUJIJWSLG-ZJUUUORDSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCCSC1 ZINC000422818982 387718591 /nfs/dbraw/zinc/71/85/91/387718591.db2.gz LWLZCJYNEDKPHL-IVZWLZJFSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCSC1 ZINC000422818982 387718594 /nfs/dbraw/zinc/71/85/94/387718594.db2.gz LWLZCJYNEDKPHL-IVZWLZJFSA-N 1 3 202.367 1.597 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1cccnc1 ZINC000422824013 387719805 /nfs/dbraw/zinc/71/98/05/387719805.db2.gz FXTSLLYVHCYBKK-KBPBESRZSA-N 1 3 233.359 1.874 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1cccnc1 ZINC000422830038 387722050 /nfs/dbraw/zinc/72/20/50/387722050.db2.gz QPJDILKVZPUTLE-GXTWGEPZSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1cccnc1 ZINC000422830038 387722059 /nfs/dbraw/zinc/72/20/59/387722059.db2.gz QPJDILKVZPUTLE-GXTWGEPZSA-N 1 3 233.359 1.602 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422828115 387724459 /nfs/dbraw/zinc/72/44/59/387724459.db2.gz SVVDCGCXIUNUDV-KGLIPLIRSA-N 1 3 241.423 1.968 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@H](C)C[C@H](C)[NH3+] ZINC000422832818 387726701 /nfs/dbraw/zinc/72/67/01/387726701.db2.gz GDSSAGYDJFEBHU-QJPTWQEYSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+][C@H](C)C[C@H](C)N ZINC000422832818 387726704 /nfs/dbraw/zinc/72/67/04/387726704.db2.gz GDSSAGYDJFEBHU-QJPTWQEYSA-N 1 3 221.348 1.728 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422789779 387730788 /nfs/dbraw/zinc/73/07/88/387730788.db2.gz WYTSWMAZJQPLPX-YNEHKIRRSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422789779 387730795 /nfs/dbraw/zinc/73/07/95/387730795.db2.gz WYTSWMAZJQPLPX-YNEHKIRRSA-N 1 3 228.380 1.371 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCCOC1 ZINC000422855593 387737165 /nfs/dbraw/zinc/73/71/65/387737165.db2.gz CODPDARBERRPKO-TUAOUCFPSA-N 1 3 212.337 1.415 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527518 387766097 /nfs/dbraw/zinc/76/60/97/387766097.db2.gz NWAGCCZMUOYEQZ-HBNTYKKESA-N 1 3 214.353 1.515 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000643528251 387767624 /nfs/dbraw/zinc/76/76/24/387767624.db2.gz GBPUKWBLYYDYPC-QPUJVOFHSA-N 1 3 208.280 1.750 20 0 BDADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000643528219 387768360 /nfs/dbraw/zinc/76/83/60/387768360.db2.gz FPEXICQXYGSMJY-UWVGGRQHSA-N 1 3 247.342 1.569 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422910279 387769839 /nfs/dbraw/zinc/76/98/39/387769839.db2.gz QDIWCILGBBICFQ-FRRDWIJNSA-N 1 3 227.396 1.576 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422915039 387771047 /nfs/dbraw/zinc/77/10/47/387771047.db2.gz AMJMKPUFFJMUPM-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000643529246 387771885 /nfs/dbraw/zinc/77/18/85/387771885.db2.gz XNCSBEDQPZWJNZ-PRHODGIISA-N 1 3 208.280 1.750 20 0 BDADHO C[C@H]([NH3+])CNC1CCN(c2ccccc2)CC1 ZINC000643528758 387773267 /nfs/dbraw/zinc/77/32/67/387773267.db2.gz OEPAFBNNLBYINE-LBPRGKRZSA-N 1 3 233.359 1.592 20 0 BDADHO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H](C)C1CNC1 ZINC000422921238 387776108 /nfs/dbraw/zinc/77/61/08/387776108.db2.gz PGWGXHMGTQXPPF-BZPMIXESSA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)C1(C[NH2+][C@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422919338 387776134 /nfs/dbraw/zinc/77/61/34/387776134.db2.gz JPUOQAONGWAHGR-XQQFMLRXSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@H](N[C@H]1C[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921880 387777550 /nfs/dbraw/zinc/77/75/50/387777550.db2.gz PIYIVVFBJUFPBD-LNSITVRQSA-N 1 3 230.355 1.815 20 0 BDADHO C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)C1CNC1 ZINC000422921880 387777555 /nfs/dbraw/zinc/77/75/55/387777555.db2.gz PIYIVVFBJUFPBD-LNSITVRQSA-N 1 3 230.355 1.815 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2ccccn2)C1 ZINC000422963908 387813652 /nfs/dbraw/zinc/81/36/52/387813652.db2.gz HGAXUTAZLNPZHX-AVGNSLFASA-N 1 3 248.374 1.376 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000422982436 387794372 /nfs/dbraw/zinc/79/43/72/387794372.db2.gz WTQBQBZXBKCTEM-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CCC[NH3+])N[C@H](CO)c1cccc(F)c1 ZINC000422985621 387795035 /nfs/dbraw/zinc/79/50/35/387795035.db2.gz FMFQKNWAACZWSF-ZWNOBZJWSA-N 1 3 240.322 1.576 20 0 BDADHO C[C@H](CCC[NH3+])N[C@@H](CO)c1cccc(F)c1 ZINC000422985620 387795394 /nfs/dbraw/zinc/79/53/94/387795394.db2.gz FMFQKNWAACZWSF-MFKMUULPSA-N 1 3 240.322 1.576 20 0 BDADHO C[C@@H](NC[C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422989766 387797696 /nfs/dbraw/zinc/79/76/96/387797696.db2.gz MKVPZFJLQHDQAW-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](NC[C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422989767 387798688 /nfs/dbraw/zinc/79/86/88/387798688.db2.gz MKVPZFJLQHDQAW-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ncccc1F ZINC000422992980 387799536 /nfs/dbraw/zinc/79/95/36/387799536.db2.gz DQWARZQNWQHSEY-ZJUUUORDSA-N 1 3 241.310 1.315 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)[nH]n1 ZINC000422991872 387800213 /nfs/dbraw/zinc/80/02/13/387800213.db2.gz QGYDJSZMVKAQFH-GBIKHYSHSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)n[nH]1 ZINC000422991872 387800219 /nfs/dbraw/zinc/80/02/19/387800219.db2.gz QGYDJSZMVKAQFH-GBIKHYSHSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)[nH]n1 ZINC000422991872 387800224 /nfs/dbraw/zinc/80/02/24/387800224.db2.gz QGYDJSZMVKAQFH-GBIKHYSHSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)n[nH]1 ZINC000422991872 387800230 /nfs/dbraw/zinc/80/02/30/387800230.db2.gz QGYDJSZMVKAQFH-GBIKHYSHSA-N 1 3 236.363 1.237 20 0 BDADHO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)C1CNC1 ZINC000422991350 387801106 /nfs/dbraw/zinc/80/11/06/387801106.db2.gz PKSRSMBXXVCDTE-SGMGOOAPSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1CNC1 ZINC000643477991 387801305 /nfs/dbraw/zinc/80/13/05/387801305.db2.gz MLBORIVJNGEIEH-STQMWFEESA-N 1 3 244.382 1.989 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000151135303 387801250 /nfs/dbraw/zinc/80/12/50/387801250.db2.gz PUFMRCOLNBXLQX-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCNCC[C@H]2C)CCO1 ZINC000422999336 387804672 /nfs/dbraw/zinc/80/46/72/387804672.db2.gz XSQVMBIGPQHPDI-SYQHCUMBSA-N 1 3 240.391 1.779 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000222052643 387805090 /nfs/dbraw/zinc/80/50/90/387805090.db2.gz MTHINVHAJPAYTJ-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CC[N@H+](CC)C1 ZINC000222052643 387805094 /nfs/dbraw/zinc/80/50/94/387805094.db2.gz MTHINVHAJPAYTJ-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CC[N@@H+](CC)C1 ZINC000222052643 387805099 /nfs/dbraw/zinc/80/50/99/387805099.db2.gz MTHINVHAJPAYTJ-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H](NC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998010 387805832 /nfs/dbraw/zinc/80/58/32/387805832.db2.gz VYIDRRVIRZWOHF-CRWXNKLISA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCCN1 ZINC000422998010 387805835 /nfs/dbraw/zinc/80/58/35/387805835.db2.gz VYIDRRVIRZWOHF-CRWXNKLISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000422999800 387805938 /nfs/dbraw/zinc/80/59/38/387805938.db2.gz YLGKIUNACRPLDV-QWRGUYRKSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001999 387806685 /nfs/dbraw/zinc/80/66/85/387806685.db2.gz FNGYGIOXNILQJO-XUXIUFHCSA-N 1 3 240.391 1.515 20 0 BDADHO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000423001882 387806947 /nfs/dbraw/zinc/80/69/47/387806947.db2.gz ITJXQEKOMDPROM-UONOGXRCSA-N 1 3 234.343 1.973 20 0 BDADHO CCOc1ncccc1CN[C@@H](C)CCC[NH3+] ZINC000422961432 387811422 /nfs/dbraw/zinc/81/14/22/387811422.db2.gz BWWPGAXWCXXQKQ-NSHDSACASA-N 1 3 237.347 1.697 20 0 BDADHO CC[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N1CCCC1 ZINC000422961231 387811488 /nfs/dbraw/zinc/81/14/88/387811488.db2.gz BEEJXBVQOQOPTQ-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H](N[C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880916 387757640 /nfs/dbraw/zinc/75/76/40/387757640.db2.gz XUEMCGTWQYRBRU-OXHZDVMGSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000643527047 387759398 /nfs/dbraw/zinc/75/93/98/387759398.db2.gz CGFGHOLDIPYJPE-GUTXKFCHSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000643527047 387759404 /nfs/dbraw/zinc/75/94/04/387759404.db2.gz CGFGHOLDIPYJPE-GUTXKFCHSA-N 1 3 247.386 1.586 20 0 BDADHO CCCC(O)(CCC)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422975004 387822851 /nfs/dbraw/zinc/82/28/51/387822851.db2.gz GCCUQIVGAIJADV-NWDGAFQWSA-N 1 3 228.380 1.787 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H](CCO)c1ccccc1 ZINC000422975275 387823410 /nfs/dbraw/zinc/82/34/10/387823410.db2.gz GJJFHHXMGRXEAG-SGMGOOAPSA-N 1 3 236.359 1.826 20 0 BDADHO COc1cccc(CCN[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000423005026 387825485 /nfs/dbraw/zinc/82/54/85/387825485.db2.gz LMTJHSRFCARNSM-GHMZBOCLSA-N 1 3 237.347 1.348 20 0 BDADHO COc1cccc(CC[NH2+][C@H](C)C[C@@H](C)N)n1 ZINC000423005026 387825492 /nfs/dbraw/zinc/82/54/92/387825492.db2.gz LMTJHSRFCARNSM-GHMZBOCLSA-N 1 3 237.347 1.348 20 0 BDADHO C[C@H]([NH2+]CC1(CCO)CCCCC1)C1CNC1 ZINC000423007756 387828431 /nfs/dbraw/zinc/82/84/31/387828431.db2.gz RMDBIZOXYAJVNM-LBPRGKRZSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@H](NCC1(CCO)CCCCC1)C1C[NH2+]C1 ZINC000423007756 387828434 /nfs/dbraw/zinc/82/84/34/387828434.db2.gz RMDBIZOXYAJVNM-LBPRGKRZSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423013344 387836781 /nfs/dbraw/zinc/83/67/81/387836781.db2.gz MQVMORXUNZLODG-AVGNSLFASA-N 1 3 228.380 1.373 20 0 BDADHO CO[C@@H]1CCC[C@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013144 387836805 /nfs/dbraw/zinc/83/68/05/387836805.db2.gz FFENVEBAYRSRKQ-IGQOVBAYSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCSCC(F)(F)F ZINC000423018963 387841659 /nfs/dbraw/zinc/84/16/59/387841659.db2.gz SQXXOLLTEIBEGH-JGVFFNPUSA-N 1 3 244.326 1.997 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1ccc(Cl)cn1 ZINC000423018959 387842208 /nfs/dbraw/zinc/84/22/08/387842208.db2.gz SPYNZMFCQBGISQ-VIFPVBQESA-N 1 3 227.739 1.952 20 0 BDADHO CC1(C)C[C@@H]1N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423027735 387843795 /nfs/dbraw/zinc/84/37/95/387843795.db2.gz POQFPFSOLGINEF-LPWJVIDDSA-N 1 3 238.375 1.532 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H](O)CCc1ccccc1 ZINC000423026165 387843870 /nfs/dbraw/zinc/84/38/70/387843870.db2.gz AUSUGHWISPWTIG-ZNMIVQPWSA-N 1 3 248.370 1.450 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H](O)CCc1ccccc1 ZINC000423026162 387844752 /nfs/dbraw/zinc/84/47/52/387844752.db2.gz AUSUGHWISPWTIG-KFWWJZLASA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H](NCC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423030932 387846574 /nfs/dbraw/zinc/84/65/74/387846574.db2.gz KISCTQCXYBDGDA-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CS[C@@H](C[NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000423033668 387849086 /nfs/dbraw/zinc/84/90/86/387849086.db2.gz OVXVIXLUUAXSBF-ONGXEEELSA-N 1 3 230.421 1.962 20 0 BDADHO CS[C@@H](CN[C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033668 387849089 /nfs/dbraw/zinc/84/90/89/387849089.db2.gz OVXVIXLUUAXSBF-ONGXEEELSA-N 1 3 230.421 1.962 20 0 BDADHO CC1=CCN(CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000423035734 387850791 /nfs/dbraw/zinc/85/07/91/387850791.db2.gz JWNHVSYOMLXTLZ-CQSZACIVSA-N 1 3 237.391 1.370 20 0 BDADHO CC1=CCN(CC[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000423039145 387852663 /nfs/dbraw/zinc/85/26/63/387852663.db2.gz PXZPMTDXTHEKLU-OLZOCXBDSA-N 1 3 223.364 1.108 20 0 BDADHO CC1=CCN(CCN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039145 387852666 /nfs/dbraw/zinc/85/26/66/387852666.db2.gz PXZPMTDXTHEKLU-OLZOCXBDSA-N 1 3 223.364 1.108 20 0 BDADHO CC(C)OCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423041131 387853562 /nfs/dbraw/zinc/85/35/62/387853562.db2.gz WDZZBMRSYUMCPZ-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000423046038 387857055 /nfs/dbraw/zinc/85/70/55/387857055.db2.gz DVMOCIBSHOGBOR-RUZUBIRVSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423051459 387860828 /nfs/dbraw/zinc/86/08/28/387860828.db2.gz NJWHGJCFGRTCMQ-UBHSHLNASA-N 1 3 240.391 1.778 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423051459 387860832 /nfs/dbraw/zinc/86/08/32/387860832.db2.gz NJWHGJCFGRTCMQ-UBHSHLNASA-N 1 3 240.391 1.778 20 0 BDADHO CC[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535055 387861294 /nfs/dbraw/zinc/86/12/94/387861294.db2.gz IIIWZNNVLWEKTH-QWHCGFSZSA-N 1 3 248.374 1.603 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000423057596 387861831 /nfs/dbraw/zinc/86/18/31/387861831.db2.gz ZRBHUZOHJKMCGK-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCC1(CO)CCCC1 ZINC000423057596 387861837 /nfs/dbraw/zinc/86/18/37/387861837.db2.gz ZRBHUZOHJKMCGK-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003100 387863581 /nfs/dbraw/zinc/86/35/81/387863581.db2.gz GXMKXSXESSLCGA-ZDEQEGDKSA-N 1 3 226.364 1.255 20 0 BDADHO CC1(C)[C@H](O)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423066160 387868946 /nfs/dbraw/zinc/86/89/46/387868946.db2.gz WFBXNLWWRQGKNF-FXVHWTKVSA-N 1 3 224.348 1.018 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@@H](O)C1(C)C ZINC000423065323 387869485 /nfs/dbraw/zinc/86/94/85/387869485.db2.gz UBQONFUTLYKTHR-WRWGMCAJSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](NC[C@H]1CC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000423070671 387872120 /nfs/dbraw/zinc/87/21/20/387872120.db2.gz NJMXNJXKCAJSPR-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO COc1ccc([C@@H]2CC[N@H+](C[C@H](C)N)C2)cc1 ZINC000442658969 387814099 /nfs/dbraw/zinc/81/40/99/387814099.db2.gz AMQPSZJQMMDHPP-WCQYABFASA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@@H]2CC[N@@H+](C[C@H](C)N)C2)cc1 ZINC000442658969 387814102 /nfs/dbraw/zinc/81/41/02/387814102.db2.gz AMQPSZJQMMDHPP-WCQYABFASA-N 1 3 234.343 1.832 20 0 BDADHO CCC(O)(CC)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423070709 387872636 /nfs/dbraw/zinc/87/26/36/387872636.db2.gz NKOWZVFMOQRGCJ-FUNVUKJBSA-N 1 3 240.391 1.800 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(CO)cc1 ZINC000643478216 387814879 /nfs/dbraw/zinc/81/48/79/387814879.db2.gz FVMHSBAQQWTISF-KGLIPLIRSA-N 1 3 234.343 1.191 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423102292 387889836 /nfs/dbraw/zinc/88/98/36/387889836.db2.gz DYPDRNIJCPWMMA-REWJHTLYSA-N 1 3 240.391 1.637 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000423115971 387898162 /nfs/dbraw/zinc/89/81/62/387898162.db2.gz ZHBDJRLKFDUFQD-XKNYDFJKSA-N 1 3 202.367 1.453 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CSC[C@@H]1C ZINC000423115971 387898166 /nfs/dbraw/zinc/89/81/66/387898166.db2.gz ZHBDJRLKFDUFQD-XKNYDFJKSA-N 1 3 202.367 1.453 20 0 BDADHO CC[C@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCCN1 ZINC000423076264 387876794 /nfs/dbraw/zinc/87/67/94/387876794.db2.gz QPNKDGAJMJXSIB-TYUFSLCMSA-N 1 3 226.364 1.268 20 0 BDADHO CSC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423082984 387878558 /nfs/dbraw/zinc/87/85/58/387878558.db2.gz GADXYMJBIQREMN-WDEREUQCSA-N 1 3 228.405 1.860 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423092836 387882233 /nfs/dbraw/zinc/88/22/33/387882233.db2.gz DPWGNUYRFPDBQR-KXNHARMFSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000423092836 387882238 /nfs/dbraw/zinc/88/22/38/387882238.db2.gz DPWGNUYRFPDBQR-KXNHARMFSA-N 1 3 242.363 1.434 20 0 BDADHO C[C@H](NCCc1ccc2[nH]ccc2c1)C1C[NH2+]C1 ZINC000423101582 387888851 /nfs/dbraw/zinc/88/88/51/387888851.db2.gz NQIMBOORDKAVKC-NSHDSACASA-N 1 3 243.354 1.908 20 0 BDADHO C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)C1CNC1 ZINC000423101582 387888855 /nfs/dbraw/zinc/88/88/55/387888855.db2.gz NQIMBOORDKAVKC-NSHDSACASA-N 1 3 243.354 1.908 20 0 BDADHO Cc1cccc2c1OC[C@H]([NH2+][C@H]1CCC[C@@H]1N)C2 ZINC000423140545 387917818 /nfs/dbraw/zinc/91/78/18/387917818.db2.gz MNMYBLFSAITFJY-RDBSUJKOSA-N 1 3 246.354 1.768 20 0 BDADHO COc1ncccc1CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423141058 387917857 /nfs/dbraw/zinc/91/78/57/387917857.db2.gz NSKDUTSLHDVZPK-DGCLKSJQSA-N 1 3 249.358 1.220 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423140208 387918605 /nfs/dbraw/zinc/91/86/05/387918605.db2.gz XTJUASFWGWLQJS-ATZCPNFKSA-N 1 3 200.326 1.127 20 0 BDADHO CCOCC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423123630 387903005 /nfs/dbraw/zinc/90/30/05/387903005.db2.gz NCJFTJWNIJXNIB-FUNVUKJBSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1cn[nH]c1 ZINC000423126617 387905535 /nfs/dbraw/zinc/90/55/35/387905535.db2.gz RYLVSZLXHAZGLU-NWDGAFQWSA-N 1 3 222.336 1.202 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000236743674 387906223 /nfs/dbraw/zinc/90/62/23/387906223.db2.gz YCKXNXADMVXWGX-GFCCVEGCSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000236743674 387906228 /nfs/dbraw/zinc/90/62/28/387906228.db2.gz YCKXNXADMVXWGX-GFCCVEGCSA-N 1 3 243.395 1.350 20 0 BDADHO CC[N@H+](CCNC(=O)[C@H](N)CC(C)C)C(C)C ZINC000236863313 387907718 /nfs/dbraw/zinc/90/77/18/387907718.db2.gz BGROWWYHYRNQAZ-GFCCVEGCSA-N 1 3 243.395 1.206 20 0 BDADHO CC[N@@H+](CCNC(=O)[C@H](N)CC(C)C)C(C)C ZINC000236863313 387907722 /nfs/dbraw/zinc/90/77/22/387907722.db2.gz BGROWWYHYRNQAZ-GFCCVEGCSA-N 1 3 243.395 1.206 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423132817 387909202 /nfs/dbraw/zinc/90/92/02/387909202.db2.gz UYZSOUWVLIZPTE-ZDCRXTMVSA-N 1 3 200.301 1.594 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000423137610 387913822 /nfs/dbraw/zinc/91/38/22/387913822.db2.gz IHVLLOKAJCENAN-MXWKQRLJSA-N 1 3 200.326 1.142 20 0 BDADHO COc1ncccc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423139029 387916840 /nfs/dbraw/zinc/91/68/40/387916840.db2.gz JZWXPBDPEXRWAH-GHMZBOCLSA-N 1 3 237.347 1.348 20 0 BDADHO COc1ncccc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000423139029 387916849 /nfs/dbraw/zinc/91/68/49/387916849.db2.gz JZWXPBDPEXRWAH-GHMZBOCLSA-N 1 3 237.347 1.348 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000423153260 387932204 /nfs/dbraw/zinc/93/22/04/387932204.db2.gz HENHQHSDZSADFK-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1cccnc1CCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423155099 387934090 /nfs/dbraw/zinc/93/40/90/387934090.db2.gz PXUCBZRGBXGWLQ-JSGCOSHPSA-N 1 3 233.359 1.792 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])OC ZINC000423155050 387934109 /nfs/dbraw/zinc/93/41/09/387934109.db2.gz ISMSACMNQKXLFJ-BJDJZHNGSA-N 1 3 216.369 1.763 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])OC ZINC000423155052 387934402 /nfs/dbraw/zinc/93/44/02/387934402.db2.gz ISMSACMNQKXLFJ-USZNOCQGSA-N 1 3 216.369 1.763 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423157108 387936632 /nfs/dbraw/zinc/93/66/32/387936632.db2.gz AHKJAXNJDIJJKY-RXGFPQBGSA-N 1 3 224.348 1.020 20 0 BDADHO CCn1ccc(CN[C@@H](C)CCCC[NH3+])n1 ZINC000423167686 387951907 /nfs/dbraw/zinc/95/19/07/387951907.db2.gz FNJQEYZFRROARB-NSHDSACASA-N 1 3 224.352 1.510 20 0 BDADHO CCN1CCC([NH2+]C[C@@H]2CCCN(C)C2)CC1 ZINC000044535184 387937669 /nfs/dbraw/zinc/93/76/69/387937669.db2.gz FCVWTAXSTRILTK-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)C2CNC2)CCO1 ZINC000423158136 387939766 /nfs/dbraw/zinc/93/97/66/387939766.db2.gz WJTCOUSWYSMCOB-OBJOEFQTSA-N 1 3 240.391 1.635 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000424226350 387940155 /nfs/dbraw/zinc/94/01/55/387940155.db2.gz RNKKRBOGGLKJDF-LBPRGKRZSA-N 1 3 247.342 1.534 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159756 387940784 /nfs/dbraw/zinc/94/07/84/387940784.db2.gz GGBSONZHUJGTER-MROQNXINSA-N 1 3 208.349 1.750 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)NC2CC2)c1 ZINC000424237390 387941258 /nfs/dbraw/zinc/94/12/58/387941258.db2.gz KDQBSPKHCNNESY-JTQLQIEISA-N 1 3 247.342 1.533 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424243712 387942395 /nfs/dbraw/zinc/94/23/95/387942395.db2.gz QFIKCVAJXBZQNU-JTQLQIEISA-N 1 3 235.331 1.248 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1cc(C)cc(CN)c1 ZINC000424243713 387942937 /nfs/dbraw/zinc/94/29/37/387942937.db2.gz QFIKCVAJXBZQNU-SNVBAGLBSA-N 1 3 235.331 1.248 20 0 BDADHO C[C@H](NC1CCC(C[NH3+])CC1)c1ccn(C)n1 ZINC000423172488 387959697 /nfs/dbraw/zinc/95/96/97/387959697.db2.gz TXAFBOUUTMWXFC-UNXYVOJBSA-N 1 3 236.363 1.588 20 0 BDADHO COCC1CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000423177366 387964066 /nfs/dbraw/zinc/96/40/66/387964066.db2.gz HIXJATIUQKUFDE-IALDZJHCSA-N 1 3 228.380 1.907 20 0 BDADHO COc1ccc(C[C@H](C)[NH2+]C2CCNCC2)cn1 ZINC000423178055 387964615 /nfs/dbraw/zinc/96/46/15/387964615.db2.gz FOWUQJSEAFKRPM-NSHDSACASA-N 1 3 249.358 1.363 20 0 BDADHO COc1ccc(C[C@H](C)NC2CC[NH2+]CC2)cn1 ZINC000423178055 387964621 /nfs/dbraw/zinc/96/46/21/387964621.db2.gz FOWUQJSEAFKRPM-NSHDSACASA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCCC[C@H]1F ZINC000423184133 387970030 /nfs/dbraw/zinc/97/00/30/387970030.db2.gz MZQOGNPKKOLENL-GWOFURMSSA-N 1 3 202.317 1.983 20 0 BDADHO CSc1ccccc1C[C@H](C)NCC[NH3+] ZINC000423188051 387971958 /nfs/dbraw/zinc/97/19/58/387971958.db2.gz POAYASOPZOCIPI-JTQLQIEISA-N 1 3 224.373 1.888 20 0 BDADHO COc1cccc(C[C@H]([NH2+]CCCN)C2CC2)c1 ZINC000423189136 387974242 /nfs/dbraw/zinc/97/42/42/387974242.db2.gz MLUVLNRLGLMTGG-HNNXBMFYSA-N 1 3 248.370 1.955 20 0 BDADHO C[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000249727360 135044489 /nfs/dbraw/zinc/04/44/89/135044489.db2.gz QWCPPINYDBGYDO-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000249727360 135044490 /nfs/dbraw/zinc/04/44/90/135044490.db2.gz QWCPPINYDBGYDO-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000423204492 387989770 /nfs/dbraw/zinc/98/97/70/387989770.db2.gz BAFREBWHTDHARV-BETNDFDFSA-N 1 3 224.348 1.425 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423205013 387990971 /nfs/dbraw/zinc/99/09/71/387990971.db2.gz VAXQFKLIUXATQX-SDDRHHMPSA-N 1 3 242.363 1.163 20 0 BDADHO C1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CN1 ZINC000423210329 387995648 /nfs/dbraw/zinc/99/56/48/387995648.db2.gz HKCRTAXGVWBOMN-AAVRWANBSA-N 1 3 238.375 1.533 20 0 BDADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000423215135 387998480 /nfs/dbraw/zinc/99/84/80/387998480.db2.gz NLKILTPBWONLSC-TUAOUCFPSA-N 1 3 214.328 1.856 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423216596 387999047 /nfs/dbraw/zinc/99/90/47/387999047.db2.gz RWTGPVVEYPTMTG-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000424385592 388000904 /nfs/dbraw/zinc/00/09/04/388000904.db2.gz WMGSHGIDAMYLEV-MLGHIDQZSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN1 ZINC000424385592 388000906 /nfs/dbraw/zinc/00/09/06/388000906.db2.gz WMGSHGIDAMYLEV-MLGHIDQZSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@@H](NCC[C@H](C)[NH3+])c1ccncc1 ZINC000423222865 388003256 /nfs/dbraw/zinc/00/32/56/388003256.db2.gz CZWOKWCOLFGSRJ-CMPLNLGQSA-N 1 3 207.321 1.860 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423223172 388003699 /nfs/dbraw/zinc/00/36/99/388003699.db2.gz FDXITHQVQZZEPR-IGQOVBAYSA-N 1 3 240.391 1.909 20 0 BDADHO CC[NH2+]CCN[C@H]1CCC[C@H]1CCOC ZINC000423230210 388015955 /nfs/dbraw/zinc/01/59/55/388015955.db2.gz CYLGHOJHGBUGQM-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251153 388034046 /nfs/dbraw/zinc/03/40/46/388034046.db2.gz RLHPBCHPCILMTK-MNOVXSKESA-N 1 3 237.322 1.871 20 0 BDADHO C[NH2+]CCN[C@H]1CCC[C@H]1CCOC ZINC000423250870 388034338 /nfs/dbraw/zinc/03/43/38/388034338.db2.gz UVSFKDIZQGBNQT-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000423264685 388042743 /nfs/dbraw/zinc/04/27/43/388042743.db2.gz QATKILUAOQTYHO-WRWGMCAJSA-N 1 3 214.353 1.515 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423272380 388051695 /nfs/dbraw/zinc/05/16/95/388051695.db2.gz HXQPIKGNTORRAS-AVGNSLFASA-N 1 3 228.380 1.909 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H](C)C[NH2+]C ZINC000423281960 388064349 /nfs/dbraw/zinc/06/43/49/388064349.db2.gz VZVJINYIGPCMGU-RYUDHWBXSA-N 1 3 243.395 1.079 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H](COC)C(C)C ZINC000423284648 388067741 /nfs/dbraw/zinc/06/77/41/388067741.db2.gz YQBMBPVWAWBYJN-MNOVXSKESA-N 1 3 202.342 1.103 20 0 BDADHO CCC1(CC)[C@H](NCC(C)(C)[NH3+])C[C@H]1OC ZINC000423286789 388071859 /nfs/dbraw/zinc/07/18/59/388071859.db2.gz IUFVNKHJFNIHOZ-GHMZBOCLSA-N 1 3 228.380 1.907 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccnc1 ZINC000084215728 388073436 /nfs/dbraw/zinc/07/34/36/388073436.db2.gz CMAJMEOLUJCZDF-QWHCGFSZSA-N 1 3 219.332 1.689 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccnc1 ZINC000084215724 388073997 /nfs/dbraw/zinc/07/39/97/388073997.db2.gz CMAJMEOLUJCZDF-CHWSQXEVSA-N 1 3 219.332 1.689 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000084219911 388075579 /nfs/dbraw/zinc/07/55/79/388075579.db2.gz ABSDZPVOZVRCTE-OLZOCXBDSA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1cccnc1 ZINC000084219911 388075581 /nfs/dbraw/zinc/07/55/81/388075581.db2.gz ABSDZPVOZVRCTE-OLZOCXBDSA-N 1 3 219.332 1.341 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)O[C@H]1C ZINC000423297091 388078023 /nfs/dbraw/zinc/07/80/23/388078023.db2.gz IRGLACPRLHCFAN-NNYUYHANSA-N 1 3 214.353 1.659 20 0 BDADHO CN(CC[C@H]1CC[NH2+]C1)Cc1cccnc1 ZINC000084384804 388078293 /nfs/dbraw/zinc/07/82/93/388078293.db2.gz SGFZKZTTYRNPHV-GFCCVEGCSA-N 1 3 219.332 1.513 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000423296962 388078811 /nfs/dbraw/zinc/07/88/11/388078811.db2.gz ICOJFBMLOXDIKI-AAVRWANBSA-N 1 3 241.423 1.822 20 0 BDADHO CCc1cc(N[C@H]2CCCN(C)[C@H]2C)cc[nH+]1 ZINC000450437961 388256220 /nfs/dbraw/zinc/25/62/20/388256220.db2.gz LRWVUDYWTYHLBA-FZMZJTMJSA-N 1 3 233.359 1.961 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489459912 388216553 /nfs/dbraw/zinc/21/65/53/388216553.db2.gz AFMSNLYCFDSYPO-CABZTGNLSA-N 1 3 235.331 1.628 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000451568691 388281779 /nfs/dbraw/zinc/28/17/79/388281779.db2.gz NYSOUUOTGZKZGV-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000451568691 388281780 /nfs/dbraw/zinc/28/17/80/388281780.db2.gz NYSOUUOTGZKZGV-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000451568689 388281948 /nfs/dbraw/zinc/28/19/48/388281948.db2.gz NYSOUUOTGZKZGV-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000451568689 388281950 /nfs/dbraw/zinc/28/19/50/388281950.db2.gz NYSOUUOTGZKZGV-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H](C[NH2+]C/C=C/c1ccncc1)CN(C)C ZINC000491597211 388304825 /nfs/dbraw/zinc/30/48/25/388304825.db2.gz SHBFLHBNTHGQME-IHVVCDCBSA-N 1 3 233.359 1.882 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)c2ccccc21 ZINC000315997612 388404773 /nfs/dbraw/zinc/40/47/73/388404773.db2.gz QDSIDPODUXGHTN-ILXRZTDVSA-N 1 3 246.354 1.882 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000163322937 388360639 /nfs/dbraw/zinc/36/06/39/388360639.db2.gz BYLKVGZRLDYSCQ-OLZOCXBDSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC2C[NH2+]C2)C1 ZINC000572749226 388372839 /nfs/dbraw/zinc/37/28/39/388372839.db2.gz KBOTUUDKARUOCN-TZMCWYRMSA-N 1 3 245.370 1.383 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCCN1C(C)C ZINC000572760948 388374781 /nfs/dbraw/zinc/37/47/81/388374781.db2.gz KMEVKWBCBXRJOK-VXGBXAGGSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236748371 388382931 /nfs/dbraw/zinc/38/29/31/388382931.db2.gz ATPLIFOTZCYCBF-NWDGAFQWSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646579306 388388699 /nfs/dbraw/zinc/38/86/99/388388699.db2.gz VJLXGFDZDKCIDW-IUCAKERBSA-N 1 3 221.304 1.067 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCc2cccnc2)C[C@H]1CN ZINC000397264852 388455840 /nfs/dbraw/zinc/45/58/40/388455840.db2.gz ISELQNXNDRMBPI-UMVBOHGHSA-N 1 3 247.386 1.929 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2cccnc2)C[C@H]1CN ZINC000397264852 388455842 /nfs/dbraw/zinc/45/58/42/388455842.db2.gz ISELQNXNDRMBPI-UMVBOHGHSA-N 1 3 247.386 1.929 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1C[C@@H](O)C1(C)C ZINC000166363987 388426366 /nfs/dbraw/zinc/42/63/66/388426366.db2.gz BKOLJGLGUGIYEB-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000166363987 388426369 /nfs/dbraw/zinc/42/63/69/388426369.db2.gz BKOLJGLGUGIYEB-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000393428958 388429207 /nfs/dbraw/zinc/42/92/07/388429207.db2.gz RJMISIYQELZYAQ-NEPJUHHUSA-N 1 3 228.380 1.502 20 0 BDADHO Cc1cc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])on1 ZINC000573197673 388430637 /nfs/dbraw/zinc/43/06/37/388430637.db2.gz SEBFXEPYONPLHE-DGCLKSJQSA-N 1 3 237.347 1.633 20 0 BDADHO Cc1cc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)on1 ZINC000573197673 388430640 /nfs/dbraw/zinc/43/06/40/388430640.db2.gz SEBFXEPYONPLHE-DGCLKSJQSA-N 1 3 237.347 1.633 20 0 BDADHO c1n[nH]cc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353625291 388542795 /nfs/dbraw/zinc/54/27/95/388542795.db2.gz FXUDARNSPPVKCO-STQMWFEESA-N 1 3 234.347 1.169 20 0 BDADHO c1n[nH]cc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353625291 388542797 /nfs/dbraw/zinc/54/27/97/388542797.db2.gz FXUDARNSPPVKCO-STQMWFEESA-N 1 3 234.347 1.169 20 0 BDADHO C[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000310433992 388483003 /nfs/dbraw/zinc/48/30/03/388483003.db2.gz NWPVFMDBBWTEIE-BZPMIXESSA-N 1 3 240.391 1.562 20 0 BDADHO C[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000310433992 388483004 /nfs/dbraw/zinc/48/30/04/388483004.db2.gz NWPVFMDBBWTEIE-BZPMIXESSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)C1CC([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000397624600 388485241 /nfs/dbraw/zinc/48/52/41/388485241.db2.gz XNYHZMKMPBKIMY-UHFFFAOYSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H](NCC[C@H](C)CCO)[C@@H]1CCCC[NH2+]1 ZINC000397649300 388486787 /nfs/dbraw/zinc/48/67/87/388486787.db2.gz WBZVPNXYIDESPT-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO CCN1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000397797497 388500528 /nfs/dbraw/zinc/50/05/28/388500528.db2.gz UKSWCEXJIWCVFF-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO CCOC[C@@H](C)NCCC[NH2+]C(C)C ZINC000516642928 388512069 /nfs/dbraw/zinc/51/20/69/388512069.db2.gz DBHNKKXGVNOEBN-LLVKDONJSA-N 1 3 202.342 1.389 20 0 BDADHO COC1CCC([NH2+]CC2=CCN(C)CC2)CC1 ZINC000346313928 388519767 /nfs/dbraw/zinc/51/97/67/388519767.db2.gz HRNCFBXMKZLIIL-UHFFFAOYSA-N 1 3 238.375 1.796 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186493850 388600494 /nfs/dbraw/zinc/60/04/94/388600494.db2.gz MVWZRMHOXCJXBK-CLQVMCNMSA-N 1 3 238.375 1.530 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186493850 388600496 /nfs/dbraw/zinc/60/04/96/388600496.db2.gz MVWZRMHOXCJXBK-CLQVMCNMSA-N 1 3 238.375 1.530 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220681854 388606090 /nfs/dbraw/zinc/60/60/90/388606090.db2.gz LKFFZVZPRBUNGK-PWSUYJOCSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367626635 388566227 /nfs/dbraw/zinc/56/62/27/388566227.db2.gz PPIRKHCEDNOUDZ-PWSUYJOCSA-N 1 3 236.363 1.717 20 0 BDADHO Cc1cnccc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000385061702 388573333 /nfs/dbraw/zinc/57/33/33/388573333.db2.gz UPBDZKFUKABZEG-NEPJUHHUSA-N 1 3 219.332 1.559 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1C[C@@H]1CCSC1 ZINC000224613281 388666958 /nfs/dbraw/zinc/66/69/58/388666958.db2.gz GBLFIPOKBVGAII-NWDGAFQWSA-N 1 3 228.405 1.943 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1C[C@@H]1CCSC1 ZINC000224613281 388666960 /nfs/dbraw/zinc/66/69/60/388666960.db2.gz GBLFIPOKBVGAII-NWDGAFQWSA-N 1 3 228.405 1.943 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000191823451 388670905 /nfs/dbraw/zinc/67/09/05/388670905.db2.gz FWENTQYXOJLASG-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000191823451 388670907 /nfs/dbraw/zinc/67/09/07/388670907.db2.gz FWENTQYXOJLASG-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209521 388626227 /nfs/dbraw/zinc/62/62/27/388626227.db2.gz IKLMGCJMQRDXLA-RWMBFGLXSA-N 1 3 226.364 1.520 20 0 BDADHO COCCC1CCN([C@H]2CCC[NH2+]CC2)CC1 ZINC000530206606 388626866 /nfs/dbraw/zinc/62/68/66/388626866.db2.gz AVEGMUUKPQLZGD-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO COCCC1CC[NH+]([C@H]2CCCNCC2)CC1 ZINC000530206606 388626869 /nfs/dbraw/zinc/62/68/69/388626869.db2.gz AVEGMUUKPQLZGD-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO C(C[C@H]1CCCOC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530213700 388628607 /nfs/dbraw/zinc/62/86/07/388628607.db2.gz VJJJXXXCCPXNCD-HABKJSAYSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccncc1 ZINC000530218788 388631847 /nfs/dbraw/zinc/63/18/47/388631847.db2.gz HFHWUOGHJOJVLP-KGYLQXTDSA-N 1 3 219.332 1.655 20 0 BDADHO COCCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000530220621 388632591 /nfs/dbraw/zinc/63/25/91/388632591.db2.gz BFUPUPFKQBXJSB-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO COCCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000530220621 388632593 /nfs/dbraw/zinc/63/25/93/388632593.db2.gz BFUPUPFKQBXJSB-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@H]1CC(F)(F)CCN1CCOCC[NH3+] ZINC000530232451 388636591 /nfs/dbraw/zinc/63/65/91/388636591.db2.gz PNLNRXZJLFKQLV-VIFPVBQESA-N 1 3 222.279 1.081 20 0 BDADHO C[C@@H](CNC[C@@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244952 388638994 /nfs/dbraw/zinc/63/89/94/388638994.db2.gz RIBCLUOAOBDKBV-JSGCOSHPSA-N 1 3 233.359 1.774 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000223089462 388648520 /nfs/dbraw/zinc/64/85/20/388648520.db2.gz QJLZJUBUBXQEIY-MELADBBJSA-N 1 3 241.423 1.789 20 0 BDADHO CC[N@@H+]1CC[C@H](CNCC2=CCCOC2)C1 ZINC000124651784 388664542 /nfs/dbraw/zinc/66/45/42/388664542.db2.gz MEOFFLNNGNWDSZ-GFCCVEGCSA-N 1 3 224.348 1.265 20 0 BDADHO CC[N@H+]1CC[C@H](CNCC2=CCCOC2)C1 ZINC000124651784 388664543 /nfs/dbraw/zinc/66/45/43/388664543.db2.gz MEOFFLNNGNWDSZ-GFCCVEGCSA-N 1 3 224.348 1.265 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000124651784 388664545 /nfs/dbraw/zinc/66/45/45/388664545.db2.gz MEOFFLNNGNWDSZ-GFCCVEGCSA-N 1 3 224.348 1.265 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000249948409 388734551 /nfs/dbraw/zinc/73/45/51/388734551.db2.gz USMVYLLRWOPXOT-STQMWFEESA-N 1 3 228.380 1.590 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000250832561 388741560 /nfs/dbraw/zinc/74/15/60/388741560.db2.gz JPXKDXXEUODRLV-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000250832561 388741561 /nfs/dbraw/zinc/74/15/61/388741561.db2.gz JPXKDXXEUODRLV-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251535955 388748881 /nfs/dbraw/zinc/74/88/81/388748881.db2.gz KNYZEJJRHDJDDL-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251535955 388748883 /nfs/dbraw/zinc/74/88/83/388748883.db2.gz KNYZEJJRHDJDDL-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CC[C@@H]1CCC[N@@H+]1C ZINC000248734732 388692058 /nfs/dbraw/zinc/69/20/58/388692058.db2.gz BSCBFNJPFCSRII-CRWXNKLISA-N 1 3 240.391 1.704 20 0 BDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CC[C@@H]1CCC[N@H+]1C ZINC000248734732 388692061 /nfs/dbraw/zinc/69/20/61/388692061.db2.gz BSCBFNJPFCSRII-CRWXNKLISA-N 1 3 240.391 1.704 20 0 BDADHO C[C@H]1CCN(CCC[NH+]2CCCCC2)[C@H]1CO ZINC000248941151 388700086 /nfs/dbraw/zinc/70/00/86/388700086.db2.gz NYNRJIIERZFAIW-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CN(C)CCSCC[C@H]1CCC[N@@H+]1C ZINC000126768362 388701673 /nfs/dbraw/zinc/70/16/73/388701673.db2.gz JSQVTBOWZCSRDE-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CN(C)CCSCC[C@H]1CCC[N@H+]1C ZINC000126768362 388701677 /nfs/dbraw/zinc/70/16/77/388701677.db2.gz JSQVTBOWZCSRDE-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000253126115 388805299 /nfs/dbraw/zinc/80/52/99/388805299.db2.gz RCDDHLHRFCIKDH-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000253126115 388805300 /nfs/dbraw/zinc/80/53/00/388805300.db2.gz RCDDHLHRFCIKDH-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971304 388808267 /nfs/dbraw/zinc/80/82/67/388808267.db2.gz YSYJIDAWXDDHMJ-AGIUHOORSA-N 1 3 228.380 1.658 20 0 BDADHO CC(C)N1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000565038899 388910203 /nfs/dbraw/zinc/91/02/03/388910203.db2.gz VOPRPSGJGPKDBK-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000565353202 388939381 /nfs/dbraw/zinc/93/93/81/388939381.db2.gz FXSSWNJPFUCDNA-GFCCVEGCSA-N 1 3 233.315 1.008 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357498 388939580 /nfs/dbraw/zinc/93/95/80/388939580.db2.gz FUZQWJWGUWQYNM-UHTWSYAYSA-N 1 3 240.391 1.765 20 0 BDADHO CC[NH+]1CCC(N[C@@H]2C[C@@H]2C(F)F)CC1 ZINC000348145063 136039225 /nfs/dbraw/zinc/03/92/25/136039225.db2.gz CCUWWCMNLHUCGN-VHSXEESVSA-N 1 3 218.291 1.714 20 0 BDADHO Cc1ccc(N2CCN(CCCC[NH3+])CC2)nc1 ZINC000037039494 132343318 /nfs/dbraw/zinc/34/33/18/132343318.db2.gz HPBOGWNHLJNHDS-UHFFFAOYSA-N 1 3 248.374 1.251 20 0 BDADHO C[C@H](C(=O)N[C@@H](C)CC[NH3+])N1CCCCCC1 ZINC000349952350 133927017 /nfs/dbraw/zinc/92/70/17/133927017.db2.gz OTJARCSMFLITJD-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)[C@H](C)CN1C ZINC000351925670 134007352 /nfs/dbraw/zinc/00/73/52/134007352.db2.gz FHQYIAVJIWIBDQ-MCIONIFRSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)[C@H](C)CN1C ZINC000351925670 134007353 /nfs/dbraw/zinc/00/73/53/134007353.db2.gz FHQYIAVJIWIBDQ-MCIONIFRSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]([NH3+])CN1CCN(C)CC12CCCCC2 ZINC000336171662 134115326 /nfs/dbraw/zinc/11/53/26/134115326.db2.gz LTNUPNYTHPMREX-GFCCVEGCSA-N 1 3 225.380 1.284 20 0 BDADHO C[C@H]([NH3+])CN1CCN(C)CC12CCCCC2 ZINC000336171672 134115388 /nfs/dbraw/zinc/11/53/88/134115388.db2.gz LTNUPNYTHPMREX-LBPRGKRZSA-N 1 3 225.380 1.284 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCO1 ZINC000168934812 134249170 /nfs/dbraw/zinc/24/91/70/134249170.db2.gz WJQADPZNLFFCHD-DGAVXFQQSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCO1 ZINC000168934812 134249171 /nfs/dbraw/zinc/24/91/71/134249171.db2.gz WJQADPZNLFFCHD-DGAVXFQQSA-N 1 3 238.375 1.770 20 0 BDADHO COc1ccc(CCN2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000219754282 134290883 /nfs/dbraw/zinc/29/08/83/134290883.db2.gz GWVWTAYJWVNJNN-SWLSCSKDSA-N 1 3 248.370 1.907 20 0 BDADHO C[C@@H]([NH3+])CCNC(=O)c1cccc(CN(C)C)c1 ZINC000178641105 134312424 /nfs/dbraw/zinc/31/24/24/134312424.db2.gz MBEOLDYJPOGCJL-LLVKDONJSA-N 1 3 249.358 1.215 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958881 134313786 /nfs/dbraw/zinc/31/37/86/134313786.db2.gz BFROUUUEOMLWIE-QNSTZXKLSA-N 1 3 236.359 1.523 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958881 134313787 /nfs/dbraw/zinc/31/37/87/134313787.db2.gz BFROUUUEOMLWIE-QNSTZXKLSA-N 1 3 236.359 1.523 20 0 BDADHO CC(C)N(CCO)CC[C@H]1CCC[N@@H+]1C ZINC000179308645 134319934 /nfs/dbraw/zinc/31/99/34/134319934.db2.gz YEODWFGIHNHRNY-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO CC(C)N(CCO)CC[C@H]1CCC[N@H+]1C ZINC000179308645 134319935 /nfs/dbraw/zinc/31/99/35/134319935.db2.gz YEODWFGIHNHRNY-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000222910672 134336432 /nfs/dbraw/zinc/33/64/32/134336432.db2.gz YUMQSZFHNVZGQL-AGIUHOORSA-N 1 3 227.396 1.399 20 0 BDADHO C[C@@H]1C[C@H](NCCOCC2CC2)CC[N@@H+]1C ZINC000223378376 134338742 /nfs/dbraw/zinc/33/87/42/134338742.db2.gz RUOHJBQAFPCMPA-DGCLKSJQSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H](NCCOCC2CC2)CC[N@H+]1C ZINC000223378376 134338743 /nfs/dbraw/zinc/33/87/43/134338743.db2.gz RUOHJBQAFPCMPA-DGCLKSJQSA-N 1 3 226.364 1.485 20 0 BDADHO COC(=O)CCCN(C)CC[C@H]([NH3+])C(C)C ZINC000227734952 134385691 /nfs/dbraw/zinc/38/56/91/134385691.db2.gz DLNNWNFMWNJNEC-NSHDSACASA-N 1 3 230.352 1.245 20 0 BDADHO CC(C)OCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000158927254 134755441 /nfs/dbraw/zinc/75/54/41/134755441.db2.gz PYCRPELDNVZWJL-MNOVXSKESA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)OCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000158927254 134755444 /nfs/dbraw/zinc/75/54/44/134755444.db2.gz PYCRPELDNVZWJL-MNOVXSKESA-N 1 3 200.326 1.128 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248409765 135006719 /nfs/dbraw/zinc/00/67/19/135006719.db2.gz CUHKNBTVCKJBTK-FRRDWIJNSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248409765 135006721 /nfs/dbraw/zinc/00/67/21/135006721.db2.gz CUHKNBTVCKJBTK-FRRDWIJNSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248409765 135006724 /nfs/dbraw/zinc/00/67/24/135006724.db2.gz CUHKNBTVCKJBTK-FRRDWIJNSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248409765 135006727 /nfs/dbraw/zinc/00/67/27/135006727.db2.gz CUHKNBTVCKJBTK-FRRDWIJNSA-N 1 3 226.364 1.437 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000249088653 135032140 /nfs/dbraw/zinc/03/21/40/135032140.db2.gz JUWYQFPONZWPOL-SYQHCUMBSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251212288 135066215 /nfs/dbraw/zinc/06/62/15/135066215.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251212288 135066217 /nfs/dbraw/zinc/06/62/17/135066217.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251212288 135066219 /nfs/dbraw/zinc/06/62/19/135066219.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251212288 135066221 /nfs/dbraw/zinc/06/62/21/135066221.db2.gz MQCHQAIYIHSWMU-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)C[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251424406 135069800 /nfs/dbraw/zinc/06/98/00/135069800.db2.gz QNPCSHOMKHONFJ-MJBXVCDLSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251424406 135069802 /nfs/dbraw/zinc/06/98/02/135069802.db2.gz QNPCSHOMKHONFJ-MJBXVCDLSA-N 1 3 240.391 1.610 20 0 BDADHO [NH3+]CCOCCN(Cc1cccs1)C1CC1 ZINC000086435508 135084128 /nfs/dbraw/zinc/08/41/28/135084128.db2.gz HJUJFSSZHWWIMW-UHFFFAOYSA-N 1 3 240.372 1.688 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CCO1 ZINC000252186828 135086828 /nfs/dbraw/zinc/08/68/28/135086828.db2.gz UKGFSANMQHMMEW-RQJABVFESA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000252186828 135086829 /nfs/dbraw/zinc/08/68/29/135086829.db2.gz UKGFSANMQHMMEW-RQJABVFESA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000252186828 135086830 /nfs/dbraw/zinc/08/68/30/135086830.db2.gz UKGFSANMQHMMEW-RQJABVFESA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000252712384 135100728 /nfs/dbraw/zinc/10/07/28/135100728.db2.gz MHTDNIYVGZITHB-SYQHCUMBSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000252765626 135108608 /nfs/dbraw/zinc/10/86/08/135108608.db2.gz FWEUKUPVMIDZJJ-HBEIAFGSSA-N 1 3 232.327 1.898 20 0 BDADHO CCSCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252911228 135116377 /nfs/dbraw/zinc/11/63/77/135116377.db2.gz GMZFJCFKEPLYBU-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO CCSCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252911228 135116378 /nfs/dbraw/zinc/11/63/78/135116378.db2.gz GMZFJCFKEPLYBU-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000253036921 135120209 /nfs/dbraw/zinc/12/02/09/135120209.db2.gz XTBGDNCUMRMMET-GARJFASQSA-N 1 3 246.445 1.552 20 0 BDADHO Cc1n[nH]cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000257710586 135140448 /nfs/dbraw/zinc/14/04/48/135140448.db2.gz STODAEORPFHLOJ-UHFFFAOYSA-N 1 3 234.347 1.294 20 0 BDADHO c1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000259413154 135142333 /nfs/dbraw/zinc/14/23/33/135142333.db2.gz YRCSOODMJWDEKM-OAHLLOKOSA-N 1 3 245.370 1.903 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000261528600 135154544 /nfs/dbraw/zinc/15/45/44/135154544.db2.gz MNZUIWMKZQMCCZ-DCAQKATOSA-N 1 3 214.378 1.599 20 0 BDADHO c1ccc(CCNC[C@@H]2CCC[NH2+]C2)nc1 ZINC000087646007 135161266 /nfs/dbraw/zinc/16/12/66/135161266.db2.gz GFQNMILFVRHMBQ-GFCCVEGCSA-N 1 3 219.332 1.213 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000261532847 135163062 /nfs/dbraw/zinc/16/30/62/135163062.db2.gz KKEHBGARZMRBAL-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261532847 135163064 /nfs/dbraw/zinc/16/30/64/135163064.db2.gz KKEHBGARZMRBAL-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261532847 135163066 /nfs/dbraw/zinc/16/30/66/135163066.db2.gz KKEHBGARZMRBAL-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCOC[C@H]2C)CC[NH2+]1 ZINC000261533241 135163863 /nfs/dbraw/zinc/16/38/63/135163863.db2.gz KMWGHAQLRWSNJM-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO COc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000261535866 135170901 /nfs/dbraw/zinc/17/09/01/135170901.db2.gz PMLPSDMUCDYHGL-VHSXEESVSA-N 1 3 208.305 1.521 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261539343 135177649 /nfs/dbraw/zinc/17/76/49/135177649.db2.gz CEIHLMAIGROKGF-JHJVBQTASA-N 1 3 208.349 1.718 20 0 BDADHO C[C@H](c1ccccn1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544355 135185312 /nfs/dbraw/zinc/18/53/12/135185312.db2.gz DTTFGHRVXBJJHE-YVECIDJPSA-N 1 3 231.343 1.812 20 0 BDADHO C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)[C@H]1CCOC1 ZINC000261544111 135185620 /nfs/dbraw/zinc/18/56/20/135185620.db2.gz WTFSLPMCTKZHPF-AVGNSLFASA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261544688 135185785 /nfs/dbraw/zinc/18/57/85/135185785.db2.gz YTTYLMAJYFGYSP-XJFOESAGSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CCSCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261544525 135185921 /nfs/dbraw/zinc/18/59/21/135185921.db2.gz IYRKAOYZBPUQBP-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO Cc1cnn(CCN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000261549020 135187413 /nfs/dbraw/zinc/18/74/13/135187413.db2.gz KDHIASSEWPTDNB-OLZOCXBDSA-N 1 3 236.363 1.251 20 0 BDADHO CC1(CN2CCN([C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000261549292 135188713 /nfs/dbraw/zinc/18/87/13/135188713.db2.gz KIJAOWDMEGDXSE-ZDUSSCGKSA-N 1 3 237.391 1.156 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000261551599 135190734 /nfs/dbraw/zinc/19/07/34/135190734.db2.gz MIHSMHJSPLWEJH-UTLUCORTSA-N 1 3 236.315 1.802 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000261551597 135190861 /nfs/dbraw/zinc/19/08/61/135190861.db2.gz MIHSMHJSPLWEJH-BBBLOLIVSA-N 1 3 236.315 1.802 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000084216307 135192242 /nfs/dbraw/zinc/19/22/42/135192242.db2.gz OODNOXPNNFINRG-AVGNSLFASA-N 1 3 226.364 1.520 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccncc1 ZINC000084218147 135193047 /nfs/dbraw/zinc/19/30/47/135193047.db2.gz ZHTRZCMQAJFFHQ-NWDGAFQWSA-N 1 3 205.305 1.299 20 0 BDADHO COc1ccccc1C[C@H](C)N[C@H](C)[C@H](C)[NH3+] ZINC000261554154 135193755 /nfs/dbraw/zinc/19/37/55/135193755.db2.gz OOJZAAIZBMCJGN-SDDRHHMPSA-N 1 3 236.359 1.952 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261561090 135202017 /nfs/dbraw/zinc/20/20/17/135202017.db2.gz VBLMUKKOSUIYLL-KGLIPLIRSA-N 1 3 240.391 1.910 20 0 BDADHO CN(CC[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000261564089 135206061 /nfs/dbraw/zinc/20/60/61/135206061.db2.gz CFXXRBKBBFGQAH-LLVKDONJSA-N 1 3 214.353 1.330 20 0 BDADHO Cc1nn(C)c(C)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261579702 135220274 /nfs/dbraw/zinc/22/02/74/135220274.db2.gz PQOGSUVXDXWWLJ-YUTCNCBUSA-N 1 3 248.374 1.206 20 0 BDADHO C[C@@H](N[C@@H]1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000261580247 135220477 /nfs/dbraw/zinc/22/04/77/135220477.db2.gz MUUSGEAJCXNHND-MISXGVKJSA-N 1 3 218.344 1.869 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCCNCC2)CCC1 ZINC000261581758 135222876 /nfs/dbraw/zinc/22/28/76/135222876.db2.gz NXGKRMZFFQBQER-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO CC1(C[N@@H+]2CC[C@H](N3CCNCC3)C2)CCC1 ZINC000261548233 135241465 /nfs/dbraw/zinc/24/14/65/135241465.db2.gz JDRDJBIMYGLKSF-ZDUSSCGKSA-N 1 3 237.391 1.156 20 0 BDADHO CC1(C[N@H+]2CC[C@H](N3CCNCC3)C2)CCC1 ZINC000261548233 135241466 /nfs/dbraw/zinc/24/14/66/135241466.db2.gz JDRDJBIMYGLKSF-ZDUSSCGKSA-N 1 3 237.391 1.156 20 0 BDADHO CCc1ccc([C@H]2CNCCN2C[C@@H](C)[NH3+])cc1 ZINC000261689185 135246049 /nfs/dbraw/zinc/24/60/49/135246049.db2.gz IXSCBVLSUWFLKL-IUODEOHRSA-N 1 3 247.386 1.543 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000261833776 135255972 /nfs/dbraw/zinc/25/59/72/135255972.db2.gz JIIBOUWMLFHXBU-MGPQQGTHSA-N 1 3 238.375 1.344 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000261833776 135255973 /nfs/dbraw/zinc/25/59/73/135255973.db2.gz JIIBOUWMLFHXBU-MGPQQGTHSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H]([NH2+]C1CCNCC1)[C@@H]1CCCCO1 ZINC000261986183 135269707 /nfs/dbraw/zinc/26/97/07/135269707.db2.gz JZELNBBXCIQSQE-JQWIXIFHSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](NC1CC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261986183 135269708 /nfs/dbraw/zinc/26/97/08/135269708.db2.gz JZELNBBXCIQSQE-JQWIXIFHSA-N 1 3 212.337 1.286 20 0 BDADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000261997215 135270498 /nfs/dbraw/zinc/27/04/98/135270498.db2.gz KYECFSVHPLATGM-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@H]1C ZINC000262030874 135273847 /nfs/dbraw/zinc/27/38/47/135273847.db2.gz XDKRHSCEZAEDFG-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000262023503 135274208 /nfs/dbraw/zinc/27/42/08/135274208.db2.gz WLHBXXPUDYEHFO-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@@]1(CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000262023503 135274211 /nfs/dbraw/zinc/27/42/11/135274211.db2.gz WLHBXXPUDYEHFO-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO N[C@@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000262404651 135295129 /nfs/dbraw/zinc/29/51/29/135295129.db2.gz ARXCVRXEZXDYAL-LBPRGKRZSA-N 1 3 247.342 1.074 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC[C@H]1CCCO1 ZINC000342607917 135302588 /nfs/dbraw/zinc/30/25/88/135302588.db2.gz RWAMHLBMILFIKC-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC[C@H]1CCCO1 ZINC000342607917 135302589 /nfs/dbraw/zinc/30/25/89/135302589.db2.gz RWAMHLBMILFIKC-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO NC(=[NH2+])NCCN1CCC2(CCCCC2)CC1 ZINC000262773588 135317428 /nfs/dbraw/zinc/31/74/28/135317428.db2.gz IKEVMUVOQSYBCL-UHFFFAOYSA-N 1 3 238.379 1.516 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)[C@H]1CCCOC1 ZINC000348141630 136039162 /nfs/dbraw/zinc/03/91/62/136039162.db2.gz ZDFRSTGVUCLFPL-IHRRRGAJSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH+]1CCC(N[C@H]2C[C@H]2C(F)F)CC1 ZINC000348145064 136039260 /nfs/dbraw/zinc/03/92/60/136039260.db2.gz CCUWWCMNLHUCGN-ZJUUUORDSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[C@H]1C(F)F ZINC000348156666 136040794 /nfs/dbraw/zinc/04/07/94/136040794.db2.gz ITHHUOWOUMUFOI-APLZJWDSSA-N 1 3 232.318 1.958 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[C@H]1C(F)F ZINC000348156666 136040795 /nfs/dbraw/zinc/04/07/95/136040795.db2.gz ITHHUOWOUMUFOI-APLZJWDSSA-N 1 3 232.318 1.958 20 0 BDADHO F[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000335386119 136089029 /nfs/dbraw/zinc/08/90/29/136089029.db2.gz MZXYFYWKPNEAIU-KOLCDFICSA-N 1 3 200.301 1.609 20 0 BDADHO FC(F)C1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000335562875 136106761 /nfs/dbraw/zinc/10/67/61/136106761.db2.gz ZKGRRJYNSIFPQG-AUYFUSPOSA-N 1 3 230.302 1.618 20 0 BDADHO CO[C@@H](C)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571677 136109831 /nfs/dbraw/zinc/10/98/31/136109831.db2.gz ZNIKERQHRUTZGJ-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO CO[C@@H](C)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335571677 136109832 /nfs/dbraw/zinc/10/98/32/136109832.db2.gz ZNIKERQHRUTZGJ-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1CCn1cccn1 ZINC000082594410 397965533 /nfs/dbraw/zinc/96/55/33/397965533.db2.gz FYGDKENNMBXWDC-LBPRGKRZSA-N 1 3 222.336 1.086 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000649571763 397963077 /nfs/dbraw/zinc/96/30/77/397963077.db2.gz WBGBXZNRAKJZEC-MELADBBJSA-N 1 3 239.407 1.495 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000649571763 397963079 /nfs/dbraw/zinc/96/30/79/397963079.db2.gz WBGBXZNRAKJZEC-MELADBBJSA-N 1 3 239.407 1.495 20 0 BDADHO COCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000164643796 397999932 /nfs/dbraw/zinc/99/99/32/397999932.db2.gz JRZHALIPDXOQHE-RYUDHWBXSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000164643796 397999935 /nfs/dbraw/zinc/99/99/35/397999935.db2.gz JRZHALIPDXOQHE-RYUDHWBXSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164643796 397999941 /nfs/dbraw/zinc/99/99/41/397999941.db2.gz JRZHALIPDXOQHE-RYUDHWBXSA-N 1 3 214.353 1.330 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CCC12CCOCC2 ZINC000564823286 398045934 /nfs/dbraw/zinc/04/59/34/398045934.db2.gz ZHMNJDVGGSMPPP-CYBMUJFWSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)NCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000564823286 398045935 /nfs/dbraw/zinc/04/59/35/398045935.db2.gz ZHMNJDVGGSMPPP-CYBMUJFWSA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000383262630 398013531 /nfs/dbraw/zinc/01/35/31/398013531.db2.gz TWENTPMCNABILR-GSPSYOTPSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000383262630 398013533 /nfs/dbraw/zinc/01/35/33/398013533.db2.gz TWENTPMCNABILR-GSPSYOTPSA-N 1 3 238.375 1.626 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+]CC[C@H](C)N)C2 ZINC000414818297 398043361 /nfs/dbraw/zinc/04/33/61/398043361.db2.gz DNFYQDWJSNIGQF-AAEUAGOBSA-N 1 3 248.370 1.879 20 0 BDADHO COc1cccc2c1CC[C@H](NCC[C@H](C)[NH3+])C2 ZINC000414818297 398043363 /nfs/dbraw/zinc/04/33/63/398043363.db2.gz DNFYQDWJSNIGQF-AAEUAGOBSA-N 1 3 248.370 1.879 20 0 BDADHO CC(C)(CO)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000643475060 398076403 /nfs/dbraw/zinc/07/64/03/398076403.db2.gz ULNIBISUQBXFPD-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@H](N)C2)CCOC1 ZINC000397229571 398055297 /nfs/dbraw/zinc/05/52/97/398055297.db2.gz PTFPACQKMGITOB-SDDRHHMPSA-N 1 3 212.337 1.273 20 0 BDADHO CC(C)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360928391 167030669 /nfs/dbraw/zinc/03/06/69/167030669.db2.gz UBACTOHFIHUTLQ-AVGNSLFASA-N 1 3 208.349 1.811 20 0 BDADHO CC(C)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360928391 167030674 /nfs/dbraw/zinc/03/06/74/167030674.db2.gz UBACTOHFIHUTLQ-AVGNSLFASA-N 1 3 208.349 1.811 20 0 BDADHO c1ccc(CNCC[C@H]2CCC[NH2+]C2)nc1 ZINC000258678638 322875016 /nfs/dbraw/zinc/87/50/16/322875016.db2.gz IDKJMPCHGGEYBO-GFCCVEGCSA-N 1 3 219.332 1.561 20 0 BDADHO CC(C)OC[C@@H](C)NCCC[NH+](C)C ZINC000308647872 167255761 /nfs/dbraw/zinc/25/57/61/167255761.db2.gz IOUBAIABUAKLOP-LLVKDONJSA-N 1 3 202.342 1.341 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)CC1 ZINC000393873846 487587397 /nfs/dbraw/zinc/58/73/97/487587397.db2.gz CAJYJAFICOUKEV-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)CC1 ZINC000393873846 487587400 /nfs/dbraw/zinc/58/74/00/487587400.db2.gz CAJYJAFICOUKEV-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO Cc1ccncc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000162657230 487607901 /nfs/dbraw/zinc/60/79/01/487607901.db2.gz YGJNSJNUMYWQSO-GXTWGEPZSA-N 1 3 233.359 1.997 20 0 BDADHO Cc1cc(CN2CCC([C@H](C)[NH3+])CC2)nc(C)n1 ZINC000662247193 409544155 /nfs/dbraw/zinc/54/41/55/409544155.db2.gz VFYBNQCHPXDVNV-NSHDSACASA-N 1 3 248.374 1.653 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H](OC)C2CCC2)C1 ZINC000662247160 409544787 /nfs/dbraw/zinc/54/47/87/409544787.db2.gz UKRGGAIIMMZYNE-AAEUAGOBSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@H](CN[C@](C)(C[NH3+])C1CC1)C1CCCC1 ZINC000662248195 409546655 /nfs/dbraw/zinc/54/66/55/409546655.db2.gz VXHPBLBJYRLEIC-ZIAGYGMSSA-N 1 3 240.391 1.909 20 0 BDADHO CN(CC[C@@H]1CCc2ccccc21)C[C@H](O)C[NH3+] ZINC000662276527 409591238 /nfs/dbraw/zinc/59/12/38/409591238.db2.gz JTKPAWSVUGXLLS-UONOGXRCSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@H+](CC[C@@H]1CCc2ccccc21)C[C@H](O)CN ZINC000662276527 409591245 /nfs/dbraw/zinc/59/12/45/409591245.db2.gz JTKPAWSVUGXLLS-UONOGXRCSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@H](O)CN ZINC000662276527 409591248 /nfs/dbraw/zinc/59/12/48/409591248.db2.gz JTKPAWSVUGXLLS-UONOGXRCSA-N 1 3 248.370 1.358 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CC1CC=CC1 ZINC000662276811 409591558 /nfs/dbraw/zinc/59/15/58/409591558.db2.gz LDVHUJGVRCWIBC-GFCCVEGCSA-N 1 3 208.349 1.930 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](C)C1 ZINC000308980720 410192018 /nfs/dbraw/zinc/19/20/18/410192018.db2.gz DUIQPRKADBWTPC-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C)C1 ZINC000308980720 410192023 /nfs/dbraw/zinc/19/20/23/410192023.db2.gz DUIQPRKADBWTPC-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H]1OCC[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650718107 410356531 /nfs/dbraw/zinc/35/65/31/410356531.db2.gz YFZMDOMMAINWMC-RNCFNFMXSA-N 1 3 238.306 1.551 20 0 BDADHO Cn1ccnc1[C@H](NCCC1(C[NH3+])CC1)C1CC1 ZINC000650745778 410382947 /nfs/dbraw/zinc/38/29/47/410382947.db2.gz NQHOIKYGDGCDGA-GFCCVEGCSA-N 1 3 248.374 1.590 20 0 BDADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000665261365 410737316 /nfs/dbraw/zinc/73/73/16/410737316.db2.gz ACEJUMHTLKSBRZ-VHSXEESVSA-N 1 3 202.317 1.984 20 0 BDADHO CC(C)(F)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000665261364 410737415 /nfs/dbraw/zinc/73/74/15/410737415.db2.gz ACEJUMHTLKSBRZ-UWVGGRQHSA-N 1 3 202.317 1.984 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2CCCC[C@@H]2CN)n1 ZINC000665274076 410743710 /nfs/dbraw/zinc/74/37/10/410743710.db2.gz JHADMQWUSDVKTB-OCCSQVGLSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cncc(CCN[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000665274076 410743716 /nfs/dbraw/zinc/74/37/16/410743716.db2.gz JHADMQWUSDVKTB-OCCSQVGLSA-N 1 3 248.374 1.435 20 0 BDADHO C([NH2+][C@H]1CCC12CCC2)C12CC(C1)CN2 ZINC000665279616 410755514 /nfs/dbraw/zinc/75/55/14/410755514.db2.gz HHJIJTVWIBBDCX-AKJDGMEZSA-N 1 3 206.333 1.661 20 0 BDADHO CC[C@@H]([NH2+]CC[C@@H](N)C(C)C)[C@H]1CCOC1 ZINC000665280822 410757122 /nfs/dbraw/zinc/75/71/22/410757122.db2.gz MJCFIGWPKDYYPJ-YNEHKIRRSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H]([NH3+])CC(=O)NCc1ccccc1CN(C)C ZINC000040855298 410897124 /nfs/dbraw/zinc/89/71/24/410897124.db2.gz JGCBEGQYJZFXGC-NSHDSACASA-N 1 3 249.358 1.102 20 0 BDADHO COC[C@@H](NCCC[NH2+]C(C)C)C1CC1 ZINC000398034280 410940132 /nfs/dbraw/zinc/94/01/32/410940132.db2.gz MNHIZVROGFUEHZ-GFCCVEGCSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](CCCCO)[NH2+]CCCNC1CC1 ZINC000398479996 410967554 /nfs/dbraw/zinc/96/75/54/410967554.db2.gz LMPOYKBJRCGHBA-LLVKDONJSA-N 1 3 214.353 1.269 20 0 BDADHO COCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000106878772 411130399 /nfs/dbraw/zinc/13/03/99/411130399.db2.gz NEKGNHLXZRQBHA-JTQLQIEISA-N 1 3 200.326 1.095 20 0 BDADHO COCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000106878772 411130402 /nfs/dbraw/zinc/13/04/02/411130402.db2.gz NEKGNHLXZRQBHA-JTQLQIEISA-N 1 3 200.326 1.095 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000651865709 411147613 /nfs/dbraw/zinc/14/76/13/411147613.db2.gz FMLKVAFEARLMQW-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000082666940 411152539 /nfs/dbraw/zinc/15/25/39/411152539.db2.gz WFWLODQYNNXXKN-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000082666940 411152543 /nfs/dbraw/zinc/15/25/43/411152543.db2.gz WFWLODQYNNXXKN-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000300391428 411120952 /nfs/dbraw/zinc/12/09/52/411120952.db2.gz XNKPZHFVVMPKKH-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO CN1CC=C(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657939004 411174306 /nfs/dbraw/zinc/17/43/06/411174306.db2.gz SSUHPYOQQNKJLR-UHFFFAOYSA-N 1 3 244.329 1.926 20 0 BDADHO c1csc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401060202 411175469 /nfs/dbraw/zinc/17/54/69/411175469.db2.gz JIFGBLWCECUOFH-HBNTYKKESA-N 1 3 237.372 1.621 20 0 BDADHO CCn1ccnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401087344 411176441 /nfs/dbraw/zinc/17/64/41/411176441.db2.gz SBMAOSJQRSNPGX-FRRDWIJNSA-N 1 3 248.374 1.381 20 0 BDADHO CCOCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404309025 411183140 /nfs/dbraw/zinc/18/31/40/411183140.db2.gz JMNPKXJPFYBAKE-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404309025 411183144 /nfs/dbraw/zinc/18/31/44/411183144.db2.gz JMNPKXJPFYBAKE-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404309025 411183148 /nfs/dbraw/zinc/18/31/48/411183148.db2.gz JMNPKXJPFYBAKE-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000656199052 411201980 /nfs/dbraw/zinc/20/19/80/411201980.db2.gz DHBJHRDCXHSDCT-LPWJVIDDSA-N 1 3 226.364 1.397 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199078 411202293 /nfs/dbraw/zinc/20/22/93/411202293.db2.gz KFTLZHUVKYQGHY-NWDGAFQWSA-N 1 3 234.347 1.187 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000656198348 411203066 /nfs/dbraw/zinc/20/30/66/411203066.db2.gz PPGYKLJLZHIAFR-FVCCEPFGSA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000656198347 411203072 /nfs/dbraw/zinc/20/30/72/411203072.db2.gz PPGYKLJLZHIAFR-FDYHWXHSSA-N 1 3 226.364 1.661 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198082 411203157 /nfs/dbraw/zinc/20/31/57/411203157.db2.gz HHMMVJJYTWILRE-HUUCEWRRSA-N 1 3 248.370 1.581 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(CO)cc2)C1 ZINC000656198082 411203158 /nfs/dbraw/zinc/20/31/58/411203158.db2.gz HHMMVJJYTWILRE-HUUCEWRRSA-N 1 3 248.370 1.581 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000656200296 411203996 /nfs/dbraw/zinc/20/39/96/411203996.db2.gz LBBKVJKNAUCPMO-QWRGUYRKSA-N 1 3 212.337 1.273 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000656200294 411205140 /nfs/dbraw/zinc/20/51/40/411205140.db2.gz LBBKVJKNAUCPMO-GHMZBOCLSA-N 1 3 212.337 1.273 20 0 BDADHO COC[C@@H](CC(C)(C)C)N[C@H](C)C1C[NH2+]C1 ZINC000656202161 411206898 /nfs/dbraw/zinc/20/68/98/411206898.db2.gz ZEHQTELIFROALT-ZYHUDNBSSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@@H](CC(C)(C)C)[NH2+][C@H](C)C1CNC1 ZINC000656202161 411206901 /nfs/dbraw/zinc/20/69/01/411206901.db2.gz ZEHQTELIFROALT-ZYHUDNBSSA-N 1 3 228.380 1.635 20 0 BDADHO FC1(F)CCC(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000656417019 411245907 /nfs/dbraw/zinc/24/59/07/411245907.db2.gz IVKQUVJJTSICOI-VXGBXAGGSA-N 1 3 244.329 1.963 20 0 BDADHO COC1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000309756722 411222727 /nfs/dbraw/zinc/22/27/27/411222727.db2.gz LSMYBRDDSIUKDH-PNESKVBLSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOCC1CC1 ZINC000422884287 411233366 /nfs/dbraw/zinc/23/33/66/411233366.db2.gz DTLKUBSWKNDSAK-AAEUAGOBSA-N 1 3 226.364 1.391 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H](C)C[C@@H](C)[NH3+] ZINC000423173681 411236058 /nfs/dbraw/zinc/23/60/58/411236058.db2.gz ZRWBRBADOTYIKG-DBIOUOCHSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173585 411236364 /nfs/dbraw/zinc/23/63/64/411236364.db2.gz ZGYOWLUECJAZIS-PPCPHDFISA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCN1 ZINC000423173585 411236367 /nfs/dbraw/zinc/23/63/67/411236367.db2.gz ZGYOWLUECJAZIS-PPCPHDFISA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173584 411236720 /nfs/dbraw/zinc/23/67/20/411236720.db2.gz ZGYOWLUECJAZIS-OFTGVCEQSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCN1 ZINC000423173584 411236721 /nfs/dbraw/zinc/23/67/21/411236721.db2.gz ZGYOWLUECJAZIS-OFTGVCEQSA-N 1 3 208.349 1.905 20 0 BDADHO CC[NH2+]CCN[C@H]1CCCC12CCOCC2 ZINC000423232918 411238114 /nfs/dbraw/zinc/23/81/14/411238114.db2.gz JBEAVXZLQJOXFZ-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO C(CC1CC[NH2+]CC1)CN1CCSCC1 ZINC000050952491 411269499 /nfs/dbraw/zinc/26/94/99/411269499.db2.gz NHOPMJUVHBWBEN-UHFFFAOYSA-N 1 3 228.405 1.815 20 0 BDADHO CC(C)(C)[C@@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466724 411279705 /nfs/dbraw/zinc/27/97/05/411279705.db2.gz HHYCOTMEKSVXTH-ONGXEEELSA-N 1 3 237.351 1.249 20 0 BDADHO CCC(CC)N(CCOC)C[C@@H]1CC[NH2+]C1 ZINC000051889829 411284730 /nfs/dbraw/zinc/28/47/30/411284730.db2.gz GJFUWDRHWYGBOE-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]CC1(N)CCCC1 ZINC000656789073 411369131 /nfs/dbraw/zinc/36/91/31/411369131.db2.gz IEZYECJBAYFZHZ-LBPRGKRZSA-N 1 3 228.380 1.909 20 0 BDADHO COC[C@H](CC(C)C)NCC1([NH3+])CCCC1 ZINC000656789073 411369133 /nfs/dbraw/zinc/36/91/33/411369133.db2.gz IEZYECJBAYFZHZ-LBPRGKRZSA-N 1 3 228.380 1.909 20 0 BDADHO Nc1ccc2c(c1)CC[C@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000656791669 411370702 /nfs/dbraw/zinc/37/07/02/411370702.db2.gz KTHHXEPYPUXEMD-UKRRQHHQSA-N 1 3 245.370 1.988 20 0 BDADHO [NH3+]CCCNc1ccc([C@@H]2CNCCO2)cc1 ZINC000656792400 411371553 /nfs/dbraw/zinc/37/15/53/411371553.db2.gz LKMCXROMZFOQEV-ZDUSSCGKSA-N 1 3 235.331 1.108 20 0 BDADHO CCC[C@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661538 411376067 /nfs/dbraw/zinc/37/60/67/411376067.db2.gz DGSIAXBETKWCKT-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661538 411376069 /nfs/dbraw/zinc/37/60/69/411376069.db2.gz DGSIAXBETKWCKT-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125483519 411376338 /nfs/dbraw/zinc/37/63/38/411376338.db2.gz ZMTOCHQXWOPZSZ-CHWSQXEVSA-N 1 3 240.391 1.646 20 0 BDADHO COCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404313862 411390659 /nfs/dbraw/zinc/39/06/59/411390659.db2.gz MYRDUWOPQHKILM-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404313862 411390664 /nfs/dbraw/zinc/39/06/64/411390664.db2.gz MYRDUWOPQHKILM-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COCCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404313863 411391109 /nfs/dbraw/zinc/39/11/09/411391109.db2.gz MYRDUWOPQHKILM-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO COCCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404313863 411391114 /nfs/dbraw/zinc/39/11/14/411391114.db2.gz MYRDUWOPQHKILM-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1CCCN(CCn2cccn2)[C@@H]1CC[NH3+] ZINC000404384471 411392525 /nfs/dbraw/zinc/39/25/25/411392525.db2.gz NQLORVYCEKHICK-CHWSQXEVSA-N 1 3 236.363 1.332 20 0 BDADHO CC(C)O[C@@H]1CCCN(CCC[NH3+])C1 ZINC000404800223 411408312 /nfs/dbraw/zinc/40/83/12/411408312.db2.gz YFSMGZYALPRFIC-LLVKDONJSA-N 1 3 200.326 1.225 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000414707571 411441030 /nfs/dbraw/zinc/44/10/30/411441030.db2.gz IAVBJZRVQBKPPF-UTUOFQBUSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000414707571 411441034 /nfs/dbraw/zinc/44/10/34/411441034.db2.gz IAVBJZRVQBKPPF-UTUOFQBUSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@H]1C[C@H]([NH2+]CCCN(CC)CC)CO1 ZINC000657285274 411444363 /nfs/dbraw/zinc/44/43/63/411444363.db2.gz AUWVIRJBRMBBOI-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337181 411472103 /nfs/dbraw/zinc/47/21/03/411472103.db2.gz LKPCZMHTFPYVSJ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337181 411472106 /nfs/dbraw/zinc/47/21/06/411472106.db2.gz LKPCZMHTFPYVSJ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C(CC1CCC1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659850490 411475630 /nfs/dbraw/zinc/47/56/30/411475630.db2.gz QSBKQFUPCICRCJ-CHWSQXEVSA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccn(C)n1 ZINC000655803887 411518681 /nfs/dbraw/zinc/51/86/81/411518681.db2.gz GYYYSVGOHXGBQM-UTUOFQBUSA-N 1 3 236.363 1.411 20 0 BDADHO Cc1cnc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)s1 ZINC000655824867 411527216 /nfs/dbraw/zinc/52/72/16/411527216.db2.gz QAGSSZNVSYRILT-PHIMTYICSA-N 1 3 239.388 1.881 20 0 BDADHO COCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000655817697 411528410 /nfs/dbraw/zinc/52/84/10/411528410.db2.gz ODAFBAYGPCGBAQ-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO COCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000655817697 411528413 /nfs/dbraw/zinc/52/84/13/411528413.db2.gz ODAFBAYGPCGBAQ-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CCN1C[C@H]([NH2+][C@H](C)CCN(C)C)[C@@H](C)C1 ZINC000309958786 170036918 /nfs/dbraw/zinc/03/69/18/170036918.db2.gz JYJUHKZTQMTMRO-XQQFMLRXSA-N 1 3 227.396 1.256 20 0 BDADHO CCOC(=O)C1CCC([NH2+]C[C@H](C)CN)CC1 ZINC000336708345 170192053 /nfs/dbraw/zinc/19/20/53/170192053.db2.gz MFMHNHOKRRTPKB-VOMCLLRMSA-N 1 3 242.363 1.293 20 0 BDADHO CCOC(=O)C1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC000336708342 170192177 /nfs/dbraw/zinc/19/21/77/170192177.db2.gz MFMHNHOKRRTPKB-UNXYVOJBSA-N 1 3 242.363 1.293 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@H](C)C1 ZINC000660310609 411567410 /nfs/dbraw/zinc/56/74/10/411567410.db2.gz OUGNRKKVIPUIBY-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC[C@H](C)C1 ZINC000660310609 411567411 /nfs/dbraw/zinc/56/74/11/411567411.db2.gz OUGNRKKVIPUIBY-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CCOC(=O)[C@H](CC)N1CCC[C@@H](CC[NH3+])C1 ZINC000227082883 170272118 /nfs/dbraw/zinc/27/21/18/170272118.db2.gz BITQYMXXLXTMAY-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO CCOCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250408631 170398605 /nfs/dbraw/zinc/39/86/05/170398605.db2.gz UQTCOSXEPWFCFC-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO CC1=C(C)C[N@H+](C[C@H](O)CN(C)C(C)C)CC1 ZINC000660454637 411587480 /nfs/dbraw/zinc/58/74/80/411587480.db2.gz ABOQIERFERWFKK-CQSZACIVSA-N 1 3 240.391 1.730 20 0 BDADHO CC1=C(C)C[N@@H+](C[C@H](O)CN(C)C(C)C)CC1 ZINC000660454637 411587481 /nfs/dbraw/zinc/58/74/81/411587481.db2.gz ABOQIERFERWFKK-CQSZACIVSA-N 1 3 240.391 1.730 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842008 411610051 /nfs/dbraw/zinc/61/00/51/411610051.db2.gz SHWPLYKPDVQJAR-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2COC3(CCC3)C2)C1 ZINC000657842008 411610052 /nfs/dbraw/zinc/61/00/52/411610052.db2.gz SHWPLYKPDVQJAR-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2COC3(CCC3)C2)C1 ZINC000657842008 411610053 /nfs/dbraw/zinc/61/00/53/411610053.db2.gz SHWPLYKPDVQJAR-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@H+](CCn1ccnc1)C2 ZINC000660656863 411613984 /nfs/dbraw/zinc/61/39/84/411613984.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCn1ccnc1)C2 ZINC000660656863 411613986 /nfs/dbraw/zinc/61/39/86/411613986.db2.gz AHBDQCLMFNJUNH-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO CN1CC[C@H]([NH2+]CCOCCF)[C@@H]2CCC[C@H]21 ZINC000663459427 411662290 /nfs/dbraw/zinc/66/22/90/411662290.db2.gz CEJQNCUAHUTXNH-RWMBFGLXSA-N 1 3 244.354 1.435 20 0 BDADHO C[N@@H+]1CC[C@H](NCCOCCF)[C@@H]2CCC[C@H]21 ZINC000663459427 411662292 /nfs/dbraw/zinc/66/22/92/411662292.db2.gz CEJQNCUAHUTXNH-RWMBFGLXSA-N 1 3 244.354 1.435 20 0 BDADHO C[N@H+]1CC[C@H](NCCOCCF)[C@@H]2CCC[C@H]21 ZINC000663459427 411662296 /nfs/dbraw/zinc/66/22/96/411662296.db2.gz CEJQNCUAHUTXNH-RWMBFGLXSA-N 1 3 244.354 1.435 20 0 BDADHO C([NH2+]C1CCSCC1)C12CC(C1)CN2 ZINC000663497057 411678851 /nfs/dbraw/zinc/67/88/51/411678851.db2.gz AOMGWUXLIUHXDU-UHFFFAOYSA-N 1 3 212.362 1.224 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1N ZINC000662242934 412037443 /nfs/dbraw/zinc/03/74/43/412037443.db2.gz FOIITAUPCVRVFJ-LBELIVKGSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1N ZINC000662242934 412037445 /nfs/dbraw/zinc/03/74/45/412037445.db2.gz FOIITAUPCVRVFJ-LBELIVKGSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1[NH3+] ZINC000662242934 412037448 /nfs/dbraw/zinc/03/74/48/412037448.db2.gz FOIITAUPCVRVFJ-LBELIVKGSA-N 1 3 208.349 1.702 20 0 BDADHO CO[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)C1CCCC1 ZINC000662244929 412042112 /nfs/dbraw/zinc/04/21/12/412042112.db2.gz PQKDDNWQQSLRBX-MRVWCRGKSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662248870 412047477 /nfs/dbraw/zinc/04/74/77/412047477.db2.gz DHTKSBWJVXGOJL-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662248870 412047478 /nfs/dbraw/zinc/04/74/78/412047478.db2.gz DHTKSBWJVXGOJL-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662248871 412047698 /nfs/dbraw/zinc/04/76/98/412047698.db2.gz DHTKSBWJVXGOJL-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662248871 412047701 /nfs/dbraw/zinc/04/77/01/412047701.db2.gz DHTKSBWJVXGOJL-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(C)CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662252122 412048973 /nfs/dbraw/zinc/04/89/73/412048973.db2.gz JYQRNTLEFCSDEU-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO CC1(C)CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662252122 412048975 /nfs/dbraw/zinc/04/89/75/412048975.db2.gz JYQRNTLEFCSDEU-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]([N@H+](C)C[C@@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253132 412049004 /nfs/dbraw/zinc/04/90/04/412049004.db2.gz WLSDUSCUYILEOF-NEPJUHHUSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]([N@@H+](C)C[C@@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253132 412049006 /nfs/dbraw/zinc/04/90/06/412049006.db2.gz WLSDUSCUYILEOF-NEPJUHHUSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662250767 412049067 /nfs/dbraw/zinc/04/90/67/412049067.db2.gz NOXIQUQKTABHQS-CHWSQXEVSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662250767 412049068 /nfs/dbraw/zinc/04/90/68/412049068.db2.gz NOXIQUQKTABHQS-CHWSQXEVSA-N 1 3 238.375 1.628 20 0 BDADHO CCC[C@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252093 412049581 /nfs/dbraw/zinc/04/95/81/412049581.db2.gz JTJNUTCGQPFBRA-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CCC[C@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252093 412049585 /nfs/dbraw/zinc/04/95/85/412049585.db2.gz JTJNUTCGQPFBRA-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@](C)(CN)C1)C1CCC1 ZINC000662272269 412062051 /nfs/dbraw/zinc/06/20/51/412062051.db2.gz DAFKUWGNXWOPDZ-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@](C)(CN)C1)C1CCC1 ZINC000662272269 412062054 /nfs/dbraw/zinc/06/20/54/412062054.db2.gz DAFKUWGNXWOPDZ-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H](C(=O)NCCC[N@H+](C)C(C)C)N(C)C ZINC000338209147 171228336 /nfs/dbraw/zinc/22/83/36/171228336.db2.gz ZYFABLHBOXAQHC-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C(=O)NCCC[N@@H+](C)C(C)C)N(C)C ZINC000338209147 171228338 /nfs/dbraw/zinc/22/83/38/171228338.db2.gz ZYFABLHBOXAQHC-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397200 171395382 /nfs/dbraw/zinc/39/53/82/171395382.db2.gz CRJKPTLMDMLVAO-SRVKXCTJSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397200 171395383 /nfs/dbraw/zinc/39/53/83/171395383.db2.gz CRJKPTLMDMLVAO-SRVKXCTJSA-N 1 3 243.395 1.206 20 0 BDADHO C[NH+](C)CCC[C@H]1CN(C2CCCC2)CCO1 ZINC000662324676 412102599 /nfs/dbraw/zinc/10/25/99/412102599.db2.gz ALTHIXXVGOSCDV-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(CN)c1 ZINC000662392278 412143531 /nfs/dbraw/zinc/14/35/31/412143531.db2.gz HIQAPWSHQRXMAQ-LBPRGKRZSA-N 1 3 247.342 1.472 20 0 BDADHO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCCCN1 ZINC000665244242 412185240 /nfs/dbraw/zinc/18/52/40/412185240.db2.gz JQPQULKEJMXKHL-DCAQKATOSA-N 1 3 248.317 1.531 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCO[C@@H]2CC2(F)F)C1 ZINC000665244701 412188770 /nfs/dbraw/zinc/18/87/70/412188770.db2.gz TYCPBXLXOWCWLH-KXUCPTDWSA-N 1 3 234.290 1.270 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCCC1)[C@H]1CCCO1 ZINC000665247978 412192814 /nfs/dbraw/zinc/19/28/14/412192814.db2.gz MXPNGGBNYFCZFZ-WDEREUQCSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](NCC1([NH3+])CCCC1)[C@H]1CCCO1 ZINC000665247978 412192817 /nfs/dbraw/zinc/19/28/17/412192817.db2.gz MXPNGGBNYFCZFZ-WDEREUQCSA-N 1 3 212.337 1.415 20 0 BDADHO CCCN1CC[C@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273864 412215005 /nfs/dbraw/zinc/21/50/05/412215005.db2.gz FVMIYVUEDBIGAR-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@]1(C)CC1(F)F ZINC000665267572 412204179 /nfs/dbraw/zinc/20/41/79/412204179.db2.gz YSNYILBINLNILL-YIZRAAEISA-N 1 3 206.280 1.747 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)O1 ZINC000665265113 412208966 /nfs/dbraw/zinc/20/89/66/412208966.db2.gz PQJSCCIVXHPZQT-LPWJVIDDSA-N 1 3 226.364 1.661 20 0 BDADHO COC[C@@H](NCC[C@@H]([NH3+])C(C)C)C(C)C ZINC000665281310 412213537 /nfs/dbraw/zinc/21/35/37/412213537.db2.gz ZKVXIIZHVAISIU-VXGBXAGGSA-N 1 3 216.369 1.620 20 0 BDADHO Nc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000665232046 412170072 /nfs/dbraw/zinc/17/00/72/412170072.db2.gz FBZLAXXAPZJBCR-GXTWGEPZSA-N 1 3 233.359 1.876 20 0 BDADHO C[C@H]1C[C@H](NCc2cccc(N)c2)CC[N@@H+]1C ZINC000665233866 412172883 /nfs/dbraw/zinc/17/28/83/412172883.db2.gz RKGYZYAHWBGLLO-SMDDNHRTSA-N 1 3 233.359 1.841 20 0 BDADHO C[C@H]1C[C@H](NCc2cccc(N)c2)CC[N@H+]1C ZINC000665233866 412172885 /nfs/dbraw/zinc/17/28/85/412172885.db2.gz RKGYZYAHWBGLLO-SMDDNHRTSA-N 1 3 233.359 1.841 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)c2ccccc21 ZINC000665234289 412173661 /nfs/dbraw/zinc/17/36/61/412173661.db2.gz AIPCIEXWFRWGPN-KFWWJZLASA-N 1 3 246.354 1.882 20 0 BDADHO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2cnccc2N)C1 ZINC000665274828 412216700 /nfs/dbraw/zinc/21/67/00/412216700.db2.gz ZEVDSAZJTFQCQG-VXGBXAGGSA-N 1 3 248.374 1.629 20 0 BDADHO CCC[N@H+]1CC[C@@H](N[C@H](C)c2cnccc2N)C1 ZINC000665274828 412216703 /nfs/dbraw/zinc/21/67/03/412216703.db2.gz ZEVDSAZJTFQCQG-VXGBXAGGSA-N 1 3 248.374 1.629 20 0 BDADHO CCCN1CC[C@@H]([NH2+][C@H](C)c2cnccc2N)C1 ZINC000665274828 412216704 /nfs/dbraw/zinc/21/67/04/412216704.db2.gz ZEVDSAZJTFQCQG-VXGBXAGGSA-N 1 3 248.374 1.629 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCCOC1 ZINC000665279049 412223068 /nfs/dbraw/zinc/22/30/68/412223068.db2.gz VSOLYPMAGROIAD-QCXCNERSSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CC1(C)C ZINC000665279924 412224240 /nfs/dbraw/zinc/22/42/40/412224240.db2.gz PKVFFKIQCAIJKH-URAGZPLESA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CC1(C)C ZINC000665279924 412224242 /nfs/dbraw/zinc/22/42/42/412224242.db2.gz PKVFFKIQCAIJKH-URAGZPLESA-N 1 3 208.349 1.763 20 0 BDADHO COCCC[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280855 412224679 /nfs/dbraw/zinc/22/46/79/412224679.db2.gz NCQUTENIUKVBRK-NWDGAFQWSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@]12C[C@H]1CCC[C@H]2NCC12CC(C1)C[NH2+]2 ZINC000665280083 412224774 /nfs/dbraw/zinc/22/47/74/412224774.db2.gz SMCFGUHXXNQVJM-PXELTDHWSA-N 1 3 220.360 1.907 20 0 BDADHO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC12CC(C1)CN2 ZINC000665280083 412224776 /nfs/dbraw/zinc/22/47/76/412224776.db2.gz SMCFGUHXXNQVJM-PXELTDHWSA-N 1 3 220.360 1.907 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662820234 412311154 /nfs/dbraw/zinc/31/11/54/412311154.db2.gz RNUZEACKQVYZAW-XYPYZODXSA-N 1 3 233.315 1.130 20 0 BDADHO CC(C)[C@H]([NH3+])CCNC(=O)C1(N)CCCCC1 ZINC000662925175 412346812 /nfs/dbraw/zinc/34/68/12/412346812.db2.gz OKVCMVQGJMDPLW-LLVKDONJSA-N 1 3 241.379 1.138 20 0 BDADHO C[NH2+]C[C@H](C)NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000662954276 412353645 /nfs/dbraw/zinc/35/36/45/412353645.db2.gz UHJNHNDLHHMZOR-LOWVWBTDSA-N 1 3 249.358 1.047 20 0 BDADHO CCn1cc(CN2CCC(C[NH2+]C)CC2)cn1 ZINC000051756239 172163109 /nfs/dbraw/zinc/16/31/09/172163109.db2.gz VZWJDYJGHQMQNL-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCn2cnnc2C2CC2)C1 ZINC000568249465 322930575 /nfs/dbraw/zinc/93/05/75/322930575.db2.gz QYKLETMECXIOCC-VXGBXAGGSA-N 1 3 249.362 1.015 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](O)CC1 ZINC000334245611 173004935 /nfs/dbraw/zinc/00/49/35/173004935.db2.gz SYCVIMHDAYTLJG-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](O)CC1 ZINC000334245611 173004936 /nfs/dbraw/zinc/00/49/36/173004936.db2.gz SYCVIMHDAYTLJG-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H](CO)C(C)(C)C ZINC000309555871 173027980 /nfs/dbraw/zinc/02/79/80/173027980.db2.gz JQRFOFSOCJEKHK-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](CO)C(C)(C)C ZINC000309555871 173027981 /nfs/dbraw/zinc/02/79/81/173027981.db2.gz JQRFOFSOCJEKHK-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H](CO)C(C)(C)C ZINC000309555871 173027983 /nfs/dbraw/zinc/02/79/83/173027983.db2.gz JQRFOFSOCJEKHK-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036851 /nfs/dbraw/zinc/03/68/51/173036851.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036853 /nfs/dbraw/zinc/03/68/53/173036853.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036854 /nfs/dbraw/zinc/03/68/54/173036854.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CC3(C)COC3)CC[C@@H]21 ZINC000336689564 173036857 /nfs/dbraw/zinc/03/68/57/173036857.db2.gz HSZZJYRTKZKMMF-OLZOCXBDSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC000370556864 173044385 /nfs/dbraw/zinc/04/43/85/173044385.db2.gz IPHJBOPIQYDSGB-AWEZNQCLSA-N 1 3 237.391 1.108 20 0 BDADHO C[N@H+]1CCC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC000370556864 173044388 /nfs/dbraw/zinc/04/43/88/173044388.db2.gz IPHJBOPIQYDSGB-AWEZNQCLSA-N 1 3 237.391 1.108 20 0 BDADHO Cn1nccc1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367616171 173153198 /nfs/dbraw/zinc/15/31/98/173153198.db2.gz LJMKKGUEXORFJX-MELADBBJSA-N 1 3 248.374 1.383 20 0 BDADHO CN1CC[C@]2(CC[N@H+](CCOCC3CC3)C2)C1 ZINC000336684175 173168434 /nfs/dbraw/zinc/16/84/34/173168434.db2.gz FOSDVWZTUWXGJK-AWEZNQCLSA-N 1 3 238.375 1.441 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](CCOCC3CC3)C2)C1 ZINC000336684175 173168436 /nfs/dbraw/zinc/16/84/36/173168436.db2.gz FOSDVWZTUWXGJK-AWEZNQCLSA-N 1 3 238.375 1.441 20 0 BDADHO C[NH2+]CC1CCN(Cc2cn(C)nc2C)CC1 ZINC000128247394 173338804 /nfs/dbraw/zinc/33/88/04/173338804.db2.gz YJRPDSXTQZGLFR-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO C[NH2+]CCCN(C[C@@H]1CCOC1)C1CC1 ZINC000336655718 173346949 /nfs/dbraw/zinc/34/69/49/173346949.db2.gz ABWDZWDVNWRUNF-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336655718 173346951 /nfs/dbraw/zinc/34/69/51/173346951.db2.gz ABWDZWDVNWRUNF-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336655718 173346952 /nfs/dbraw/zinc/34/69/52/173346952.db2.gz ABWDZWDVNWRUNF-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000223650594 173371035 /nfs/dbraw/zinc/37/10/35/173371035.db2.gz DMCQVHFLWACOOH-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1 ZINC000295173385 173389131 /nfs/dbraw/zinc/38/91/31/173389131.db2.gz GKJBVYSMNLQFDZ-ZDUSSCGKSA-N 1 3 249.358 1.718 20 0 BDADHO COCC1(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363525 174111016 /nfs/dbraw/zinc/11/10/16/174111016.db2.gz QXVNFGQFXADHDQ-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO COCC1(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363525 174111019 /nfs/dbraw/zinc/11/10/19/174111019.db2.gz QXVNFGQFXADHDQ-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO COCC1([NH2+][C@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000356363525 174111022 /nfs/dbraw/zinc/11/10/22/174111022.db2.gz QXVNFGQFXADHDQ-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000234683072 174144100 /nfs/dbraw/zinc/14/41/00/174144100.db2.gz OSGBJNPNEVCXNE-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO COCCCCCN(C)CC(C)(C)C[NH3+] ZINC000309446257 174175153 /nfs/dbraw/zinc/17/51/53/174175153.db2.gz LJUJEFWPQKFNAY-UHFFFAOYSA-N 1 3 216.369 1.720 20 0 BDADHO COCCCCCN(C)C1CC[NH2+]CC1 ZINC000309539267 174176020 /nfs/dbraw/zinc/17/60/20/174176020.db2.gz XYAFJZYLJXZRGG-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO COCCCCN(C)CCC[NH+]1CCCC1 ZINC000337240839 174187142 /nfs/dbraw/zinc/18/71/42/174187142.db2.gz GOIFGXUZBODMKW-UHFFFAOYSA-N 1 3 228.380 1.831 20 0 BDADHO COCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128018375 174203486 /nfs/dbraw/zinc/20/34/86/174203486.db2.gz BCBUIKCBMWKLRF-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO COCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128018375 174203487 /nfs/dbraw/zinc/20/34/87/174203487.db2.gz BCBUIKCBMWKLRF-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO COCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000128018375 174203488 /nfs/dbraw/zinc/20/34/88/174203488.db2.gz BCBUIKCBMWKLRF-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO COCCC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336774393 174263154 /nfs/dbraw/zinc/26/31/54/174263154.db2.gz WUHZGMBOHBQKHE-LBPRGKRZSA-N 1 3 226.364 1.653 20 0 BDADHO COCC[N@H+](C)CCCNCc1cc[nH]c1 ZINC000086250853 174275569 /nfs/dbraw/zinc/27/55/69/174275569.db2.gz OJDRTMUUMXBJII-UHFFFAOYSA-N 1 3 225.336 1.073 20 0 BDADHO COCC[N@@H+](C)CCCNCc1cc[nH]c1 ZINC000086250853 174275571 /nfs/dbraw/zinc/27/55/71/174275571.db2.gz OJDRTMUUMXBJII-UHFFFAOYSA-N 1 3 225.336 1.073 20 0 BDADHO COCCN(CC(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000062911887 174287444 /nfs/dbraw/zinc/28/74/44/174287444.db2.gz TWMWNZCMBOTQLW-CYBMUJFWSA-N 1 3 228.380 1.590 20 0 BDADHO COc1ccc(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000107933280 175102846 /nfs/dbraw/zinc/10/28/46/175102846.db2.gz WYPLPSQCHCNULW-AAEUAGOBSA-N 1 3 234.343 1.864 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CC=CCC1 ZINC000359075420 176269739 /nfs/dbraw/zinc/26/97/39/176269739.db2.gz ZIBLBICMTMDSFS-KGLIPLIRSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CC=CCC1 ZINC000359075420 176269741 /nfs/dbraw/zinc/26/97/41/176269741.db2.gz ZIBLBICMTMDSFS-KGLIPLIRSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000359724973 176271333 /nfs/dbraw/zinc/27/13/33/176271333.db2.gz YAPSHFDAYZPXIJ-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1C[C@@H](CN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055660 176368416 /nfs/dbraw/zinc/36/84/16/176368416.db2.gz JMGJTQBPYGUTDS-XQHKEYJVSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@@H](NCCNc2ccccn2)CC[N@@H+]1C ZINC000268996053 176375830 /nfs/dbraw/zinc/37/58/30/176375830.db2.gz NRGJTDSLZHJIJB-OLZOCXBDSA-N 1 3 248.374 1.566 20 0 BDADHO C[C@@H]1C[C@@H](NCCNc2ccccn2)CC[N@H+]1C ZINC000268996053 176375832 /nfs/dbraw/zinc/37/58/32/176375832.db2.gz NRGJTDSLZHJIJB-OLZOCXBDSA-N 1 3 248.374 1.566 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2cnccn2)CC[N@@H+]1C ZINC000341883021 176376157 /nfs/dbraw/zinc/37/61/57/176376157.db2.gz TZKJPRVMKUMOMR-NEPJUHHUSA-N 1 3 234.347 1.091 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2cnccn2)CC[N@H+]1C ZINC000341883021 176376158 /nfs/dbraw/zinc/37/61/58/176376158.db2.gz TZKJPRVMKUMOMR-NEPJUHHUSA-N 1 3 234.347 1.091 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CCN1C ZINC000353632653 176378576 /nfs/dbraw/zinc/37/85/76/176378576.db2.gz UBIIFHVCKHTDTK-WOPDTQHZSA-N 1 3 248.374 1.339 20 0 BDADHO C[C@H]1CCN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336363473 177157301 /nfs/dbraw/zinc/15/73/01/177157301.db2.gz DULVOPPJNQKNIZ-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCSCC1 ZINC000335160050 177174837 /nfs/dbraw/zinc/17/48/37/177174837.db2.gz ZFHFNWOBLVXPBY-JQWIXIFHSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H]1COCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000336453310 177287895 /nfs/dbraw/zinc/28/78/95/177287895.db2.gz JMMOBBXRSYFFOS-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1COCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000336453310 177287896 /nfs/dbraw/zinc/28/78/96/177287896.db2.gz JMMOBBXRSYFFOS-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1C[C@@H](CN(C)Cc2ccccn2)CC[NH2+]1 ZINC000235697929 177323301 /nfs/dbraw/zinc/32/33/01/177323301.db2.gz CVVUTSXZVYSSHJ-STQMWFEESA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H]1C[C@@H](NCCC[NH3+])CN1Cc1ccccc1 ZINC000309960586 177331124 /nfs/dbraw/zinc/33/11/24/177331124.db2.gz YEJDTUDZWWPDOO-DZGCQCFKSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1cnccn1 ZINC000341901522 177332844 /nfs/dbraw/zinc/33/28/44/177332844.db2.gz YWNSGEWQDQZGNX-MBNYWOFBSA-N 1 3 248.374 1.337 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1cnccn1 ZINC000341901522 177332846 /nfs/dbraw/zinc/33/28/46/177332846.db2.gz YWNSGEWQDQZGNX-MBNYWOFBSA-N 1 3 248.374 1.337 20 0 BDADHO C[C@H](C[NH2+]C[C@H]1C[C@@H]1C)CN1CCCC1 ZINC000336765719 177345902 /nfs/dbraw/zinc/34/59/02/177345902.db2.gz RKBDWUYFRGHQBB-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccs1 ZINC000126711886 177361674 /nfs/dbraw/zinc/36/16/74/177361674.db2.gz NDKVMJFEXHNQOS-VHSXEESVSA-N 1 3 210.346 1.917 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000328276573 487642216 /nfs/dbraw/zinc/64/22/16/487642216.db2.gz QWUHCPJUENBEAU-MJBXVCDLSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H]1C[C@@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000488336813 225377652 /nfs/dbraw/zinc/37/76/52/225377652.db2.gz IGQRTXLQWODLEP-QWHCGFSZSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C)CCCCN1 ZINC000495147011 226277190 /nfs/dbraw/zinc/27/71/90/226277190.db2.gz NCZRVRLKGYAOIV-AAEUAGOBSA-N 1 3 241.379 1.152 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614889 974887362 /nfs/dbraw/zinc/88/73/62/974887362.db2.gz ZMWHDIGSBUNAKU-WHOHXGKFSA-N 1 3 240.347 1.188 20 0 BDADHO CCO[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000250523702 487734345 /nfs/dbraw/zinc/73/43/45/487734345.db2.gz QMIRMCQQHAWJDK-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCC[N@H+](C1CC1)C1CCNCC1 ZINC000379463975 487734518 /nfs/dbraw/zinc/73/45/18/487734518.db2.gz VVOLYVVNDJOTNZ-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CCOCC[N@@H+](C1CC1)C1CCNCC1 ZINC000379463975 487734523 /nfs/dbraw/zinc/73/45/23/487734523.db2.gz VVOLYVVNDJOTNZ-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO NC[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649592 487788676 /nfs/dbraw/zinc/78/86/76/487788676.db2.gz KWTCGFSWGBFBBW-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649592 487788679 /nfs/dbraw/zinc/78/86/79/487788679.db2.gz KWTCGFSWGBFBBW-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000223649592 487788686 /nfs/dbraw/zinc/78/86/86/487788686.db2.gz KWTCGFSWGBFBBW-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO CO[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000223868611 487798545 /nfs/dbraw/zinc/79/85/45/487798545.db2.gz PILAFLIPZYKKBG-GMTAPVOTSA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@@H]1COc2ccccc2C1 ZINC000415088459 487809106 /nfs/dbraw/zinc/80/91/06/487809106.db2.gz XNWNMAFJVVBENR-KGLIPLIRSA-N 1 3 248.370 1.953 20 0 BDADHO CCO[C@H]1C[C@H]([N@H+](C)CCCN)C12CCC2 ZINC000414697666 487817286 /nfs/dbraw/zinc/81/72/86/487817286.db2.gz CPYGIKOGVPLZCR-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN)C12CCC2 ZINC000414697666 487817289 /nfs/dbraw/zinc/81/72/89/487817289.db2.gz CPYGIKOGVPLZCR-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO CCCN1CC[C@H](NC(=O)[C@](C)([NH3+])CCC)C1 ZINC000389737946 487833567 /nfs/dbraw/zinc/83/35/67/487833567.db2.gz LFSZXPAVXYCAOZ-WCQYABFASA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cccc(OC[C@H](C)NCCC[NH3+])c1 ZINC000415082535 487835738 /nfs/dbraw/zinc/83/57/38/487835738.db2.gz ONNBOVNSFSYKBJ-LBPRGKRZSA-N 1 3 222.332 1.701 20 0 BDADHO CCOc1ccccc1CC[NH2+]C1CCNCC1 ZINC000415073799 487836595 /nfs/dbraw/zinc/83/65/95/487836595.db2.gz BOQWWGXQXPDSPN-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO CCOc1ccccc1CCNC1CC[NH2+]CC1 ZINC000415073799 487836600 /nfs/dbraw/zinc/83/66/00/487836600.db2.gz BOQWWGXQXPDSPN-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000253075683 487846789 /nfs/dbraw/zinc/84/67/89/487846789.db2.gz QQABFKAWRLVJCR-SDDRHHMPSA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000253075682 487846654 /nfs/dbraw/zinc/84/66/54/487846654.db2.gz QQABFKAWRLVJCR-GRYCIOLGSA-N 1 3 214.353 1.374 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCOCc2ccccc2)C1 ZINC000309912008 487847376 /nfs/dbraw/zinc/84/73/76/487847376.db2.gz SEDOYZFCQPYMML-DZGCQCFKSA-N 1 3 248.370 1.872 20 0 BDADHO CC[C@H]1CN(CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403813909 487890734 /nfs/dbraw/zinc/89/07/34/487890734.db2.gz LKFKCGZCJZYCQD-YPMHNXCESA-N 1 3 226.364 1.485 20 0 BDADHO CCCn1cc(CN[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000666952388 487890236 /nfs/dbraw/zinc/89/02/36/487890236.db2.gz UWMOPVSOKCZAKM-ZDUSSCGKSA-N 1 3 248.374 1.525 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993842 487902656 /nfs/dbraw/zinc/90/26/56/487902656.db2.gz NXTKYPWVADBOKJ-GRYCIOLGSA-N 1 3 208.349 1.907 20 0 BDADHO CN(CCN1CCCCC1)C[C@H]1CC[NH2+]C1 ZINC000652363489 487933320 /nfs/dbraw/zinc/93/33/20/487933320.db2.gz FYVPIPQBSDWDEI-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO c1n[nH]cc1CCNC1CC[NH+](CC2CC2)CC1 ZINC000562100582 323012056 /nfs/dbraw/zinc/01/20/56/323012056.db2.gz SSOJMHBFYGBQQW-UHFFFAOYSA-N 1 3 248.374 1.416 20 0 BDADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000569825395 323042053 /nfs/dbraw/zinc/04/20/53/323042053.db2.gz PGGASKYVOKUKRB-VXGBXAGGSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)N(C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000570400430 323058510 /nfs/dbraw/zinc/05/85/10/323058510.db2.gz YFSIEABBVVBRDM-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)[C@H](C)N ZINC000570422905 323059128 /nfs/dbraw/zinc/05/91/28/323059128.db2.gz JJVPIOGTQNBZKW-NWDGAFQWSA-N 1 3 244.342 1.698 20 0 BDADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CCC1 ZINC000397576723 323081092 /nfs/dbraw/zinc/08/10/92/323081092.db2.gz GIXHGQNAJIMRNR-ZDUSSCGKSA-N 1 3 240.391 1.611 20 0 BDADHO CCC[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000390072371 323083369 /nfs/dbraw/zinc/08/33/69/323083369.db2.gz OGTCKSLCNPFMOB-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000563154564 323095716 /nfs/dbraw/zinc/09/57/16/323095716.db2.gz PVCPGDMPJTYWSQ-QCNOEVLYSA-N 1 3 214.328 1.984 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394733240 323096423 /nfs/dbraw/zinc/09/64/23/323096423.db2.gz LXNQWYXSOPCKOS-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)N(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000224539690 323097580 /nfs/dbraw/zinc/09/75/80/323097580.db2.gz WQZLGIKGXFYPHX-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000567123326 323119763 /nfs/dbraw/zinc/11/97/63/323119763.db2.gz DHBJHRDCXHSDCT-ZDEQEGDKSA-N 1 3 226.364 1.397 20 0 BDADHO CC(C)C[N@@H+]1CC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000563528760 323129196 /nfs/dbraw/zinc/12/91/96/323129196.db2.gz FAAJUUOQQIWFKI-FRRDWIJNSA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)C[N@H+]1CC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000563528760 323129197 /nfs/dbraw/zinc/12/91/97/323129197.db2.gz FAAJUUOQQIWFKI-FRRDWIJNSA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)CN1CC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000563528760 323129198 /nfs/dbraw/zinc/12/91/98/323129198.db2.gz FAAJUUOQQIWFKI-FRRDWIJNSA-N 1 3 228.380 1.323 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC12CCOCC2 ZINC000563616186 323131565 /nfs/dbraw/zinc/13/15/65/323131565.db2.gz NYGSYTIBPQIJKI-FRRDWIJNSA-N 1 3 238.375 1.533 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000571111893 323135905 /nfs/dbraw/zinc/13/59/05/323135905.db2.gz CJGNMHZXBHFLGY-ZUWCUPBKSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000571111893 323135906 /nfs/dbraw/zinc/13/59/06/323135906.db2.gz CJGNMHZXBHFLGY-ZUWCUPBKSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000571111893 323135907 /nfs/dbraw/zinc/13/59/07/323135907.db2.gz CJGNMHZXBHFLGY-ZUWCUPBKSA-N 1 3 238.375 1.626 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NC[C@@H](O)Cc2ccccc2)C1 ZINC000571416569 323144306 /nfs/dbraw/zinc/14/43/06/323144306.db2.gz GQYMPYXRLDRSHO-ZNMIVQPWSA-N 1 3 248.370 1.450 20 0 BDADHO CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000395063882 323186713 /nfs/dbraw/zinc/18/67/13/323186713.db2.gz ANPGCXPGAVECGI-NEPJUHHUSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@H](NCCCCF)[C@H]1CCCC[NH2+]1 ZINC000395106701 323187099 /nfs/dbraw/zinc/18/70/99/323187099.db2.gz XHSMTFZYRNEKGG-WDEREUQCSA-N 1 3 202.317 1.856 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000309043893 323205452 /nfs/dbraw/zinc/20/54/52/323205452.db2.gz NBYMTQJZXNGMJN-LLVKDONJSA-N 1 3 214.328 1.810 20 0 BDADHO COCCC1CCN([C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000530209402 323209460 /nfs/dbraw/zinc/20/94/60/323209460.db2.gz HENUZDRJAUKZOO-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](NCC[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211534 323211572 /nfs/dbraw/zinc/21/15/72/323211572.db2.gz METULNBIFRYAIH-IHRRRGAJSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530214166 324530173 /nfs/dbraw/zinc/53/01/73/324530173.db2.gz BRFLHMQVDRHVAF-WCQYABFASA-N 1 3 208.349 1.930 20 0 BDADHO CC[C@H](C(=O)NCC[N@H+](CC)C(C)C)N(C)C ZINC000131457419 325153271 /nfs/dbraw/zinc/15/32/71/325153271.db2.gz KTUOTOKMIGCBNA-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C(=O)NCC[N@@H+](CC)C(C)C)N(C)C ZINC000131457419 325153274 /nfs/dbraw/zinc/15/32/74/325153274.db2.gz KTUOTOKMIGCBNA-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000566614422 326068029 /nfs/dbraw/zinc/06/80/29/326068029.db2.gz RIVPDDYRNJXMHD-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000566807308 326085506 /nfs/dbraw/zinc/08/55/06/326085506.db2.gz MCPXYFITYRYZIO-WUHRBBMRSA-N 1 3 228.380 1.643 20 0 BDADHO CC[C@H](N)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000567045928 326106335 /nfs/dbraw/zinc/10/63/35/326106335.db2.gz JXFCDRATGNKVQX-LBPRGKRZSA-N 1 3 243.395 1.349 20 0 BDADHO CN(CC[C@H]1CC[NH2+]C1)Cc1cccc(O)c1 ZINC000567456510 326195865 /nfs/dbraw/zinc/19/58/65/326195865.db2.gz SOMGXFXOIKLUJB-GFCCVEGCSA-N 1 3 234.343 1.824 20 0 BDADHO C(CNC1CC1)C[NH2+][C@H]1CCC12CCOCC2 ZINC000567652966 326239105 /nfs/dbraw/zinc/23/91/05/326239105.db2.gz ZZYBMHSLKKVBNB-ZDUSSCGKSA-N 1 3 238.375 1.677 20 0 BDADHO C[C@H](c1cnccn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000567888729 326276930 /nfs/dbraw/zinc/27/69/30/326276930.db2.gz PLVCSSBOYHTFTI-GFCCVEGCSA-N 1 3 246.358 1.613 20 0 BDADHO CN(C)CCN(C)CCC[N@H+](C)C1CCCC1 ZINC000677221234 488002947 /nfs/dbraw/zinc/00/29/47/488002947.db2.gz ISQBOVQKODFBLJ-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CN(C)CCN(C)CCC[N@@H+](C)C1CCCC1 ZINC000677221234 488002951 /nfs/dbraw/zinc/00/29/51/488002951.db2.gz ISQBOVQKODFBLJ-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO COCCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135416070 488035083 /nfs/dbraw/zinc/03/50/83/488035083.db2.gz XCGTXMZQEZCTMS-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1CN(C)C ZINC000655448850 488036887 /nfs/dbraw/zinc/03/68/87/488036887.db2.gz ZRHSCDPVKKKSEK-NSHDSACASA-N 1 3 249.358 1.603 20 0 BDADHO CC1(C)CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497279 488046525 /nfs/dbraw/zinc/04/65/25/488046525.db2.gz CQDLQFPQNXFOHJ-AKJDGMEZSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663497279 488046531 /nfs/dbraw/zinc/04/65/31/488046531.db2.gz CQDLQFPQNXFOHJ-AKJDGMEZSA-N 1 3 208.349 1.907 20 0 BDADHO CCCN1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000389253515 488085277 /nfs/dbraw/zinc/08/52/77/488085277.db2.gz NEFRJFHHLQVUGP-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000669508422 488109217 /nfs/dbraw/zinc/10/92/17/488109217.db2.gz WMGNESODXITJRY-OLZOCXBDSA-N 1 3 247.342 1.472 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1COC ZINC000683140588 488118391 /nfs/dbraw/zinc/11/83/91/488118391.db2.gz AXXIXZVGUSXWFH-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H]1COC ZINC000683140588 488118392 /nfs/dbraw/zinc/11/83/92/488118392.db2.gz AXXIXZVGUSXWFH-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CNCCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403271925 488119933 /nfs/dbraw/zinc/11/99/33/488119933.db2.gz KKURHXOGCKMKCO-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO CNCCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403271925 488119936 /nfs/dbraw/zinc/11/99/36/488119936.db2.gz KKURHXOGCKMKCO-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403271925 488119940 /nfs/dbraw/zinc/11/99/40/488119940.db2.gz KKURHXOGCKMKCO-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000669513925 488122122 /nfs/dbraw/zinc/12/21/22/488122122.db2.gz ADZCYYHOSDRQAD-GFCCVEGCSA-N 1 3 235.331 1.457 20 0 BDADHO CN[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403457720 488124617 /nfs/dbraw/zinc/12/46/17/488124617.db2.gz ZOAUQUBLSFQAAP-FVCCEPFGSA-N 1 3 208.349 1.716 20 0 BDADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403457720 488124623 /nfs/dbraw/zinc/12/46/23/488124623.db2.gz ZOAUQUBLSFQAAP-FVCCEPFGSA-N 1 3 208.349 1.716 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1CO[C@H](C2CC2)C1 ZINC000667823483 488130128 /nfs/dbraw/zinc/13/01/28/488130128.db2.gz SIBJOFYVQNVTPB-RTXFEEFZSA-N 1 3 226.364 1.484 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+](C)[C@@H]1CCCOC1 ZINC000674301351 487552860 /nfs/dbraw/zinc/55/28/60/487552860.db2.gz ATRFVRKKGGZQGT-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000674301351 487552864 /nfs/dbraw/zinc/55/28/64/487552864.db2.gz ATRFVRKKGGZQGT-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H]1CCC2(CNC2)O1 ZINC000662257603 487493690 /nfs/dbraw/zinc/49/36/90/487493690.db2.gz DYNTWWBBJDSQHD-IJLUTSLNSA-N 1 3 224.348 1.380 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)CCC(C)(C)C ZINC000399690519 487495622 /nfs/dbraw/zinc/49/56/22/487495622.db2.gz VSMGSEVZGCZXJA-GFCCVEGCSA-N 1 3 230.396 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)CCC(C)(C)C ZINC000399690519 487495628 /nfs/dbraw/zinc/49/56/28/487495628.db2.gz VSMGSEVZGCZXJA-GFCCVEGCSA-N 1 3 230.396 1.667 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@H]1C ZINC000381101007 487497423 /nfs/dbraw/zinc/49/74/23/487497423.db2.gz XVRYJCMNNHOKJT-JHJVBQTASA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@H]1C ZINC000381101007 487497426 /nfs/dbraw/zinc/49/74/26/487497426.db2.gz XVRYJCMNNHOKJT-JHJVBQTASA-N 1 3 228.380 1.418 20 0 BDADHO Cc1csc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000086404115 487500845 /nfs/dbraw/zinc/50/08/45/487500845.db2.gz NIQUAPMBFMVWSY-GHMZBOCLSA-N 1 3 239.388 1.854 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000304656466 487513669 /nfs/dbraw/zinc/51/36/69/487513669.db2.gz ZDQCQZSIEMXVKZ-XQQFMLRXSA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](N)CC(C)C ZINC000167193724 488144152 /nfs/dbraw/zinc/14/41/52/488144152.db2.gz YKIDYQWIDLQTBN-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](N)CC(C)C ZINC000167193724 488144158 /nfs/dbraw/zinc/14/41/58/488144158.db2.gz YKIDYQWIDLQTBN-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO Cc1cnn(CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000385231313 487774651 /nfs/dbraw/zinc/77/46/51/487774651.db2.gz HFVHTNVPJOAHFP-KBPBESRZSA-N 1 3 248.374 1.252 20 0 BDADHO Cc1cnn(CCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000385231313 487774638 /nfs/dbraw/zinc/77/46/38/487774638.db2.gz HFVHTNVPJOAHFP-KBPBESRZSA-N 1 3 248.374 1.252 20 0 BDADHO Cc1cnn(CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000385231313 487774644 /nfs/dbraw/zinc/77/46/44/487774644.db2.gz HFVHTNVPJOAHFP-KBPBESRZSA-N 1 3 248.374 1.252 20 0 BDADHO CC[C@@H]1CN(CCc2ccnn2C)CC[C@@H]1[NH3+] ZINC000230745768 488150553 /nfs/dbraw/zinc/15/05/53/488150553.db2.gz GEDBKNTXRHDDKM-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO OC[C@H](CC1CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678604992 488271149 /nfs/dbraw/zinc/27/11/49/488271149.db2.gz BIQNWGTWGALADC-IHRRRGAJSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](CC1CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678604992 488271152 /nfs/dbraw/zinc/27/11/52/488271152.db2.gz BIQNWGTWGALADC-IHRRRGAJSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](CCCCO)[NH2+]C[C@H](C)CN1CCCC1 ZINC000679333329 488340573 /nfs/dbraw/zinc/34/05/73/488340573.db2.gz JMSZZTIIVYFKMP-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340019 488341824 /nfs/dbraw/zinc/34/18/24/488341824.db2.gz MYYYOBLAOVTHAT-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@@H]([NH3+])[C@@H](C)C2)O1 ZINC000227079372 490156226 /nfs/dbraw/zinc/15/62/26/490156226.db2.gz SJLGAHGNYGNTEG-IRCOFANPSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000223198697 491112929 /nfs/dbraw/zinc/11/29/29/491112929.db2.gz YYFYXFAXAUQNSB-SDDRHHMPSA-N 1 3 213.369 1.009 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCCO2)CC1(C)C ZINC000084500142 491122031 /nfs/dbraw/zinc/12/20/31/491122031.db2.gz CWIZESWBRKHWBX-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@@H]2CCCO2)CC1(C)C ZINC000084500142 491122033 /nfs/dbraw/zinc/12/20/33/491122033.db2.gz CWIZESWBRKHWBX-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCc2ccncc2)C1 ZINC000086402363 491123840 /nfs/dbraw/zinc/12/38/40/491123840.db2.gz VLRXSHVMRFIHKG-NWDGAFQWSA-N 1 3 205.305 1.441 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCc2ccncc2)C1 ZINC000086402365 491123859 /nfs/dbraw/zinc/12/38/59/491123859.db2.gz VLRXSHVMRFIHKG-RYUDHWBXSA-N 1 3 205.305 1.441 20 0 BDADHO C[C@H](NC1CCN(C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000400400147 533809589 /nfs/dbraw/zinc/80/95/89/533809589.db2.gz PMUWQTQYVMTWLN-SMDDNHRTSA-N 1 3 237.391 1.343 20 0 BDADHO CCN1CCC[C@@H]1CN(C)C(=O)CC[C@H](C)[NH3+] ZINC000252582920 535544659 /nfs/dbraw/zinc/54/46/59/535544659.db2.gz WNOFEWCRYPRBHQ-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CN)C2)CCO1 ZINC000347125394 535897138 /nfs/dbraw/zinc/89/71/38/535897138.db2.gz YFPDQGAISILSDJ-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CN)C2)CCO1 ZINC000347125394 535897144 /nfs/dbraw/zinc/89/71/44/535897144.db2.gz YFPDQGAISILSDJ-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070656533 536123131 /nfs/dbraw/zinc/12/31/31/536123131.db2.gz CGMRGDHGNPGZHT-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000070656533 536123133 /nfs/dbraw/zinc/12/31/33/536123133.db2.gz CGMRGDHGNPGZHT-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO CC(C)CC[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219321458 534914316 /nfs/dbraw/zinc/91/43/16/534914316.db2.gz RRDNLASXTNRPKR-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000300629839 527834550 /nfs/dbraw/zinc/83/45/50/527834550.db2.gz MCUDFVZLIAMCTA-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH+](C)C)[C@@H]1SC ZINC000459369412 527938690 /nfs/dbraw/zinc/93/86/90/527938690.db2.gz NUMINPNYUPKMIU-TUAOUCFPSA-N 1 3 246.420 1.437 20 0 BDADHO CC(C)C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N(C)C ZINC000400758835 528533351 /nfs/dbraw/zinc/53/33/51/528533351.db2.gz XRFIBLPGOHNZBG-MCIONIFRSA-N 1 3 241.423 1.693 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000253017734 535158603 /nfs/dbraw/zinc/15/86/03/535158603.db2.gz IBIXLGQASCBINE-QJPTWQEYSA-N 1 3 214.353 1.110 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCCNCC2)CCOCC1 ZINC000261545912 535296464 /nfs/dbraw/zinc/29/64/64/535296464.db2.gz GJNLDDQPTZGVRF-CYBMUJFWSA-N 1 3 240.391 1.925 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262441388 535347331 /nfs/dbraw/zinc/34/73/31/535347331.db2.gz NHXSAEYHHMFSMJ-VXGBXAGGSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CN)C2)CCO1 ZINC000347114100 535898476 /nfs/dbraw/zinc/89/84/76/535898476.db2.gz SDCDJROLUDYZCO-FRRDWIJNSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CN)C2)CCO1 ZINC000347114100 535898483 /nfs/dbraw/zinc/89/84/83/535898483.db2.gz SDCDJROLUDYZCO-FRRDWIJNSA-N 1 3 226.364 1.472 20 0 BDADHO C[N@H+](CCC1CCOCC1)C[C@H]1CCCNC1 ZINC000258942760 536326650 /nfs/dbraw/zinc/32/66/50/536326650.db2.gz IATAZRYMMFJBQI-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](CCC1CCOCC1)C[C@H]1CCCNC1 ZINC000258942760 536326652 /nfs/dbraw/zinc/32/66/52/536326652.db2.gz IATAZRYMMFJBQI-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO CN(CCC1CCOCC1)C[C@H]1CCC[NH2+]C1 ZINC000258942760 536326654 /nfs/dbraw/zinc/32/66/54/536326654.db2.gz IATAZRYMMFJBQI-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO CN(CCC[NH3+])CCCOCc1ccccc1 ZINC000306854638 536342642 /nfs/dbraw/zinc/34/26/42/536342642.db2.gz VBXURPFXUSVHMU-UHFFFAOYSA-N 1 3 236.359 1.874 20 0 BDADHO CN1CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000084215964 536345584 /nfs/dbraw/zinc/34/55/84/536345584.db2.gz IAONFDYUWWRLCP-AAEUAGOBSA-N 1 3 225.380 1.188 20 0 BDADHO COCCCCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422416 536872794 /nfs/dbraw/zinc/87/27/94/536872794.db2.gz YJVBPVVAPZAPNA-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC1SCCS1 ZINC000853022926 588716780 /nfs/dbraw/zinc/71/67/80/588716780.db2.gz HVRWQTITVIBUST-NXEZZACHSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC1SCCS1 ZINC000853022926 588716781 /nfs/dbraw/zinc/71/67/81/588716781.db2.gz HVRWQTITVIBUST-NXEZZACHSA-N 1 3 246.445 1.852 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229192 588781061 /nfs/dbraw/zinc/78/10/61/588781061.db2.gz HWPZYAMKABKDCO-DBIOUOCHSA-N 1 3 246.301 1.270 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1SCCS1 ZINC000854230293 588780961 /nfs/dbraw/zinc/78/09/61/588780961.db2.gz LYNIGMLFQCDGSQ-RKDXNWHRSA-N 1 3 234.434 1.898 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCC1SCCS1 ZINC000854230293 588780962 /nfs/dbraw/zinc/78/09/62/588780962.db2.gz LYNIGMLFQCDGSQ-RKDXNWHRSA-N 1 3 234.434 1.898 20 0 BDADHO C[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000892051952 582775025 /nfs/dbraw/zinc/77/50/25/582775025.db2.gz COZXMVMOQUMUND-BETUJISGSA-N 1 3 224.348 1.191 20 0 BDADHO CC(C)[NH2+][C@H]1CCCN(c2ccncc2CO)C1 ZINC000892176546 582805345 /nfs/dbraw/zinc/80/53/45/582805345.db2.gz WGYTZUUARVRDTC-ZDUSSCGKSA-N 1 3 249.358 1.541 20 0 BDADHO Cc1ccncc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000135499789 582806978 /nfs/dbraw/zinc/80/69/78/582806978.db2.gz PGKPKHKJZAVSDI-GFCCVEGCSA-N 1 3 233.359 1.949 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC1CCN(C)CC1 ZINC000893668434 583192289 /nfs/dbraw/zinc/19/22/89/583192289.db2.gz FJVUPDOEYQSXKL-QWHCGFSZSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CC1CCN(C)CC1 ZINC000893668434 583192291 /nfs/dbraw/zinc/19/22/91/583192291.db2.gz FJVUPDOEYQSXKL-QWHCGFSZSA-N 1 3 239.407 1.353 20 0 BDADHO CO[C@]1(C)CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000894136791 583314929 /nfs/dbraw/zinc/31/49/29/583314929.db2.gz SCNMASBRYOYCMZ-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@]1(C)CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894136791 583314931 /nfs/dbraw/zinc/31/49/31/583314931.db2.gz SCNMASBRYOYCMZ-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO NCc1cccc(C(=O)NC2(C[NH3+])CCCC2)c1 ZINC000841848648 583363732 /nfs/dbraw/zinc/36/37/32/583363732.db2.gz OCIRWWRAOMIIOS-UHFFFAOYSA-N 1 3 247.342 1.147 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166777 583365221 /nfs/dbraw/zinc/36/52/21/583365221.db2.gz FNJGCUFGWSWBPQ-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166777 583365223 /nfs/dbraw/zinc/36/52/23/583365223.db2.gz FNJGCUFGWSWBPQ-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CC[C@@H]1C[N@H+](CC2CCN(C)CC2)CCCO1 ZINC000894246362 583389794 /nfs/dbraw/zinc/38/97/94/583389794.db2.gz RUGYYXQALSSZJY-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H]1C[N@@H+](CC2CCN(C)CC2)CCCO1 ZINC000894246362 583389796 /nfs/dbraw/zinc/38/97/96/583389796.db2.gz RUGYYXQALSSZJY-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1cc(N)nc(NC2CCC([NH+](C)C)CC2)n1 ZINC000894245450 583389827 /nfs/dbraw/zinc/38/98/27/583389827.db2.gz BEAMSSGACTUCLU-UHFFFAOYSA-N 1 3 249.362 1.652 20 0 BDADHO CO[C@H]1CC[N@H+](CC2CCN(C)CC2)[C@H](C)C1 ZINC000894252923 583393098 /nfs/dbraw/zinc/39/30/98/583393098.db2.gz CSQMBZATLOXKPT-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1CC[N@@H+](CC2CCN(C)CC2)[C@H](C)C1 ZINC000894252923 583393100 /nfs/dbraw/zinc/39/31/00/583393100.db2.gz CSQMBZATLOXKPT-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H]1C[C@H]1C[NH2+]CCCN1CCCN(C)CC1 ZINC000894377748 583441983 /nfs/dbraw/zinc/44/19/83/583441983.db2.gz FWZZOIKECRLHAT-KBPBESRZSA-N 1 3 239.407 1.260 20 0 BDADHO Cc1ncoc1CNCC1CC[NH+](C2CC2)CC1 ZINC000894575172 583486628 /nfs/dbraw/zinc/48/66/28/583486628.db2.gz AFHZWXDZLFMSOQ-UHFFFAOYSA-N 1 3 249.358 1.947 20 0 BDADHO C[C@H](CC[NH2+][C@H](C)C1CCOCC1)N(C)C ZINC000895292558 583636989 /nfs/dbraw/zinc/63/69/89/583636989.db2.gz GUUONFIFZULHCR-VXGBXAGGSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)OC1CC([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895294079 583638470 /nfs/dbraw/zinc/63/84/70/583638470.db2.gz OQQDILSONWJXFQ-HIFPTAJRSA-N 1 3 228.380 1.872 20 0 BDADHO CC(C)OC1CC(NCC[C@H](C)[NH+](C)C)C1 ZINC000895294079 583638473 /nfs/dbraw/zinc/63/84/73/583638473.db2.gz OQQDILSONWJXFQ-HIFPTAJRSA-N 1 3 228.380 1.872 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+](C)C2CCNCC2)O1 ZINC000232018118 583849296 /nfs/dbraw/zinc/84/92/96/583849296.db2.gz AJZYNOCKPXLSPA-ZYHUDNBSSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+](C)C2CCNCC2)O1 ZINC000232018118 583849298 /nfs/dbraw/zinc/84/92/98/583849298.db2.gz AJZYNOCKPXLSPA-ZYHUDNBSSA-N 1 3 212.337 1.238 20 0 BDADHO C[NH+](C)CC(C)(C)CNc1ccnc(CO)c1 ZINC000858312102 588944405 /nfs/dbraw/zinc/94/44/05/588944405.db2.gz QEIDCDRVSCLNAG-UHFFFAOYSA-N 1 3 237.347 1.574 20 0 BDADHO C[C@H]1C[C@@H]1NC(=[NH2+])NCCN1CCCCCC1 ZINC000864453646 584005502 /nfs/dbraw/zinc/00/55/02/584005502.db2.gz YHUWYSPFLGHKCW-RYUDHWBXSA-N 1 3 238.379 1.385 20 0 BDADHO CC[NH+]1CCC(CNc2ccnc(CO)c2)CC1 ZINC000858361750 588948633 /nfs/dbraw/zinc/94/86/33/588948633.db2.gz ASFIYMTUKOMCHX-UHFFFAOYSA-N 1 3 249.358 1.718 20 0 BDADHO C[C@H]1CCN(CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864456202 584006101 /nfs/dbraw/zinc/00/61/01/584006101.db2.gz DOFFKIQPMPTMAH-NSHDSACASA-N 1 3 238.379 1.242 20 0 BDADHO C[N@H+](CCNc1ccnc(CO)c1)C1CC1 ZINC000858363167 588948939 /nfs/dbraw/zinc/94/89/39/588948939.db2.gz QEXBIXJKQGGBSL-UHFFFAOYSA-N 1 3 221.304 1.080 20 0 BDADHO C[N@@H+](CCNc1ccnc(CO)c1)C1CC1 ZINC000858363167 588948940 /nfs/dbraw/zinc/94/89/40/588948940.db2.gz QEXBIXJKQGGBSL-UHFFFAOYSA-N 1 3 221.304 1.080 20 0 BDADHO CC[N@H+](CCNc1ccnc(CO)c1)C(C)C ZINC000858384516 588950031 /nfs/dbraw/zinc/95/00/31/588950031.db2.gz BBUZNKWAKPVDHY-UHFFFAOYSA-N 1 3 237.347 1.716 20 0 BDADHO CC[N@@H+](CCNc1ccnc(CO)c1)C(C)C ZINC000858384516 588950032 /nfs/dbraw/zinc/95/00/32/588950032.db2.gz BBUZNKWAKPVDHY-UHFFFAOYSA-N 1 3 237.347 1.716 20 0 BDADHO CC(C)[N@H+](C)CCNc1ccnc(CO)c1 ZINC000858384114 588950140 /nfs/dbraw/zinc/95/01/40/588950140.db2.gz FFCPLULSIPNAHO-UHFFFAOYSA-N 1 3 223.320 1.326 20 0 BDADHO CC(C)[N@@H+](C)CCNc1ccnc(CO)c1 ZINC000858384114 588950142 /nfs/dbraw/zinc/95/01/42/588950142.db2.gz FFCPLULSIPNAHO-UHFFFAOYSA-N 1 3 223.320 1.326 20 0 BDADHO C[NH+]1CCC(CNc2ccnc(CO)c2)CC1 ZINC000858381050 588950251 /nfs/dbraw/zinc/95/02/51/588950251.db2.gz APTFSNFBOUFDPX-UHFFFAOYSA-N 1 3 235.331 1.328 20 0 BDADHO C[C@@H](NC(=[NH2+])NC[C@H](C)N1CCCC1)C1CC1 ZINC000899266753 584190004 /nfs/dbraw/zinc/19/00/04/584190004.db2.gz XDVYWGKVPNWTIT-WDEREUQCSA-N 1 3 238.379 1.383 20 0 BDADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899263758 584190908 /nfs/dbraw/zinc/19/09/08/584190908.db2.gz MWUDEOBIUMCXKL-PWSUYJOCSA-N 1 3 238.379 1.383 20 0 BDADHO [NH3+][C@H]1CCc2cc(C=C3CNC3)ccc2C1 ZINC000899327807 584197725 /nfs/dbraw/zinc/19/77/25/584197725.db2.gz HSTOLWSVHAXITK-AWEZNQCLSA-N 1 3 214.312 1.489 20 0 BDADHO C[C@@H](CNc1ccnc(CO)c1)C[NH+](C)C ZINC000858553685 588965206 /nfs/dbraw/zinc/96/52/06/588965206.db2.gz VNOFTMDKDLXZKS-JTQLQIEISA-N 1 3 223.320 1.184 20 0 BDADHO C[C@H](CCNc1ccnc(CO)c1)[NH+](C)C ZINC000858625523 588971778 /nfs/dbraw/zinc/97/17/78/588971778.db2.gz VAOSWLMAYNQKJR-SNVBAGLBSA-N 1 3 223.320 1.326 20 0 BDADHO COCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902316146 584555684 /nfs/dbraw/zinc/55/56/84/584555684.db2.gz FBYHEMSQAZLKNL-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC2(CO)CCC2)C1 ZINC000902374222 584567247 /nfs/dbraw/zinc/56/72/47/584567247.db2.gz KKWWOJCDFXRQOF-GFCCVEGCSA-N 1 3 240.391 1.517 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000902374222 584567248 /nfs/dbraw/zinc/56/72/48/584567248.db2.gz KKWWOJCDFXRQOF-GFCCVEGCSA-N 1 3 240.391 1.517 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C1 ZINC000902378159 584568481 /nfs/dbraw/zinc/56/84/81/584568481.db2.gz UOFKJXVPOPERIE-AGIUHOORSA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)[C@@H](CO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902384507 584577594 /nfs/dbraw/zinc/57/75/94/584577594.db2.gz LQCSRMWVXSXQSN-CHWSQXEVSA-N 1 3 242.407 1.619 20 0 BDADHO C[C@@H](CC(C)(C)O)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902388254 584579783 /nfs/dbraw/zinc/57/97/83/584579783.db2.gz NASWRSQGCQUSOS-RYUDHWBXSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H](CC(C)(C)O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388254 584579784 /nfs/dbraw/zinc/57/97/84/584579784.db2.gz NASWRSQGCQUSOS-RYUDHWBXSA-N 1 3 242.407 1.904 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391721 584582645 /nfs/dbraw/zinc/58/26/45/584582645.db2.gz ZJICHMVCAMQYEG-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO CCC[C@@H](O)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404053 584589105 /nfs/dbraw/zinc/58/91/05/584589105.db2.gz ISPPLPSYMQRLJV-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CCC[C@@H](O)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902404053 584589106 /nfs/dbraw/zinc/58/91/06/584589106.db2.gz ISPPLPSYMQRLJV-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCON ZINC000902415785 584589783 /nfs/dbraw/zinc/58/97/83/584589783.db2.gz QZFDDIVQTZPLKH-VXGBXAGGSA-N 1 3 229.368 1.167 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452531 584607564 /nfs/dbraw/zinc/60/75/64/584607564.db2.gz KSZRYSCQLFHGSX-IKCGXLOGSA-N 1 3 222.332 1.022 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2nonc2c1 ZINC000902458092 584610132 /nfs/dbraw/zinc/61/01/32/584610132.db2.gz STZFOONBWFTAFH-GHMZBOCLSA-N 1 3 246.314 1.440 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902456804 584610348 /nfs/dbraw/zinc/61/03/48/584610348.db2.gz PPTAVEVIUQPNJB-ZSOGLFGHSA-N 1 3 238.375 1.517 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CCCC1 ZINC000902467782 584615061 /nfs/dbraw/zinc/61/50/61/584615061.db2.gz KYLLOXHYJFFDQL-REWJHTLYSA-N 1 3 238.375 1.674 20 0 BDADHO C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470263 584616923 /nfs/dbraw/zinc/61/69/23/584616923.db2.gz VQSKVDXURAJQFM-QCNOEVLYSA-N 1 3 206.333 1.802 20 0 BDADHO Cn1ccnc1[C@@H](N[C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000902491797 584618198 /nfs/dbraw/zinc/61/81/98/584618198.db2.gz ZWTQDVDOLQAFDJ-DLOVCJGASA-N 1 3 234.347 1.198 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902482490 584624276 /nfs/dbraw/zinc/62/42/76/584624276.db2.gz LZUSOGRBJMZTKY-AGIUHOORSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000902485970 584625532 /nfs/dbraw/zinc/62/55/32/584625532.db2.gz DGBDYIRPQSAURK-QXEWZRGKSA-N 1 3 223.295 1.609 20 0 BDADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cc2n(n1)CCC2 ZINC000902487689 584626575 /nfs/dbraw/zinc/62/65/75/584626575.db2.gz LWKCCFZXKVDCAE-GMTAPVOTSA-N 1 3 234.347 1.217 20 0 BDADHO Cc1ccc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)o1 ZINC000902488461 584626847 /nfs/dbraw/zinc/62/68/47/584626847.db2.gz MTRGWEOPTNOIEE-DCAQKATOSA-N 1 3 208.305 1.976 20 0 BDADHO Cc1ncccc1CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000902514151 584629353 /nfs/dbraw/zinc/62/93/53/584629353.db2.gz RAALDYZRISFGJE-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000902514151 584629356 /nfs/dbraw/zinc/62/93/56/584629356.db2.gz RAALDYZRISFGJE-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO COC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903055756 584722020 /nfs/dbraw/zinc/72/20/20/584722020.db2.gz LFIQXPIJZWTYQX-WDFAYWTNSA-N 1 3 238.375 1.769 20 0 BDADHO COC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055756 584722021 /nfs/dbraw/zinc/72/20/21/584722021.db2.gz LFIQXPIJZWTYQX-WDFAYWTNSA-N 1 3 238.375 1.769 20 0 BDADHO COC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903055755 584722175 /nfs/dbraw/zinc/72/21/75/584722175.db2.gz LFIQXPIJZWTYQX-CRMUJIHISA-N 1 3 238.375 1.769 20 0 BDADHO COC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903055755 584722177 /nfs/dbraw/zinc/72/21/77/584722177.db2.gz LFIQXPIJZWTYQX-CRMUJIHISA-N 1 3 238.375 1.769 20 0 BDADHO CN1CC[C@@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000903316721 584749883 /nfs/dbraw/zinc/74/98/83/584749883.db2.gz QNMNUVMJQCSPDP-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316721 584749885 /nfs/dbraw/zinc/74/98/85/584749885.db2.gz QNMNUVMJQCSPDP-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316721 584749887 /nfs/dbraw/zinc/74/98/87/584749887.db2.gz QNMNUVMJQCSPDP-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000903482182 584778881 /nfs/dbraw/zinc/77/88/81/584778881.db2.gz YWZCJLYQKJDMLM-RFGFWPKPSA-N 1 3 238.375 1.343 20 0 BDADHO CCCOC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499713 584780039 /nfs/dbraw/zinc/78/00/39/584780039.db2.gz MBVDCYNVQBULKU-IJLUTSLNSA-N 1 3 242.363 1.245 20 0 BDADHO CC1CC(CN2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903770033 584797846 /nfs/dbraw/zinc/79/78/46/584797846.db2.gz RRJMMMIREFHQDN-TYUFSLCMSA-N 1 3 208.349 1.846 20 0 BDADHO CC1CC(CN2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000903770031 584798039 /nfs/dbraw/zinc/79/80/39/584798039.db2.gz RRJMMMIREFHQDN-TUUUFIMRSA-N 1 3 208.349 1.846 20 0 BDADHO FC1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783430 584800418 /nfs/dbraw/zinc/80/04/18/584800418.db2.gz YRUONBREWIOLHL-OLZOCXBDSA-N 1 3 242.338 1.189 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCCSC[C@@H]1C1CC1 ZINC000903825960 584804590 /nfs/dbraw/zinc/80/45/90/584804590.db2.gz GFRCQFQMPJOGHP-DGCLKSJQSA-N 1 3 240.416 1.813 20 0 BDADHO Cc1cccc(C)c1CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000903827902 584804920 /nfs/dbraw/zinc/80/49/20/584804920.db2.gz ZIYKRHSTVXFWFX-QEJZJMRPSA-N 1 3 248.370 1.586 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC000903838266 584806864 /nfs/dbraw/zinc/80/68/64/584806864.db2.gz AWPCUMPWGGZNDB-MQLXINIDSA-N 1 3 236.359 1.225 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@@]13CCOC3)C2 ZINC000903838266 584806865 /nfs/dbraw/zinc/80/68/65/584806865.db2.gz AWPCUMPWGGZNDB-MQLXINIDSA-N 1 3 236.359 1.225 20 0 BDADHO Cn1cncc1CCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903860347 584811575 /nfs/dbraw/zinc/81/15/75/584811575.db2.gz QWUSRKGOFGZSFV-OCCSQVGLSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903860347 584811576 /nfs/dbraw/zinc/81/15/76/584811576.db2.gz QWUSRKGOFGZSFV-OCCSQVGLSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903860347 584811577 /nfs/dbraw/zinc/81/15/77/584811577.db2.gz QWUSRKGOFGZSFV-OCCSQVGLSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903860349 584812485 /nfs/dbraw/zinc/81/24/85/584812485.db2.gz QWUSRKGOFGZSFV-TZMCWYRMSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903860349 584812486 /nfs/dbraw/zinc/81/24/86/584812486.db2.gz QWUSRKGOFGZSFV-TZMCWYRMSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903860349 584812487 /nfs/dbraw/zinc/81/24/87/584812487.db2.gz QWUSRKGOFGZSFV-TZMCWYRMSA-N 1 3 248.374 1.166 20 0 BDADHO CCCN(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879765 584817255 /nfs/dbraw/zinc/81/72/55/584817255.db2.gz JFMNXFMBPQVDSR-LBPRGKRZSA-N 1 3 238.379 1.188 20 0 BDADHO C[C@@]1(C2CC2)COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000903881617 584817778 /nfs/dbraw/zinc/81/77/78/584817778.db2.gz HWFLEHIOVUJSLV-JSGCOSHPSA-N 1 3 238.375 1.487 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@H]1C ZINC000903909988 584821921 /nfs/dbraw/zinc/82/19/21/584821921.db2.gz ZCDFNKQKWSMOEY-OUAUKWLOSA-N 1 3 249.349 1.383 20 0 BDADHO NC[C@@H]([NH2+]C[C@@H](N)CC(F)F)C1CCCC1 ZINC000903919067 584822881 /nfs/dbraw/zinc/82/28/81/584822881.db2.gz LEDMQGCSYQSFJF-VHSXEESVSA-N 1 3 235.322 1.076 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+]CCC(C)(C)N)CCO1 ZINC000903938715 584827149 /nfs/dbraw/zinc/82/71/49/584827149.db2.gz IBBKDROAULCRSO-VXGBXAGGSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)[C@H]1C[C@H](NCCC(C)(C)[NH3+])CCO1 ZINC000903938715 584827151 /nfs/dbraw/zinc/82/71/51/584827151.db2.gz IBBKDROAULCRSO-VXGBXAGGSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@]1(CN2CC[C@@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953379 584831485 /nfs/dbraw/zinc/83/14/85/584831485.db2.gz DQLSGVYUKRAKFJ-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO [NH3+][C@H](CN[C@@H]1CCO[C@H]1C1CC1)CC(F)F ZINC000903986583 584835608 /nfs/dbraw/zinc/83/56/08/584835608.db2.gz MQYHHABUBKLIEZ-NGZCFLSTSA-N 1 3 234.290 1.126 20 0 BDADHO C[C@@H](c1ccccn1)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329767 584865785 /nfs/dbraw/zinc/86/57/85/584865785.db2.gz UEWJOSHXBBIFDP-SDDRHHMPSA-N 1 3 219.332 1.812 20 0 BDADHO COC(=O)[C@@H]1CCCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332885 584866077 /nfs/dbraw/zinc/86/60/77/584866077.db2.gz SHRMZEMWSFAMRM-TUAOUCFPSA-N 1 3 240.347 1.141 20 0 BDADHO C[C@]1(CNC[C@@H](N)c2ccccc2)CCC[NH2+]C1 ZINC000904353199 584870013 /nfs/dbraw/zinc/87/00/13/584870013.db2.gz IJZZDTAEQAQDBO-CABCVRRESA-N 1 3 247.386 1.666 20 0 BDADHO [NH3+]C[C@H]1CC[C@@H](NCc2nccn2C2CC2)C1 ZINC000904355365 584870954 /nfs/dbraw/zinc/87/09/54/584870954.db2.gz QTISNDZILUFHNX-WDEREUQCSA-N 1 3 234.347 1.435 20 0 BDADHO COCCCNC[C@H]([NH3+])CCC(C)(C)C ZINC000904367947 584872709 /nfs/dbraw/zinc/87/27/09/584872709.db2.gz KZWOOEZKQRNYCT-LLVKDONJSA-N 1 3 216.369 1.766 20 0 BDADHO CC(C)OCCC[NH2+]C[C@]1(C)CCCNC1 ZINC000904363672 584874175 /nfs/dbraw/zinc/87/41/75/584874175.db2.gz AZRRQAZAZPIOHN-CYBMUJFWSA-N 1 3 228.380 1.781 20 0 BDADHO CC(C)(C)CC[C@@H]([NH3+])CNCCn1ccnc1 ZINC000904363749 584874463 /nfs/dbraw/zinc/87/44/63/584874463.db2.gz BRJYMVQZSLVKQU-GFCCVEGCSA-N 1 3 238.379 1.626 20 0 BDADHO CC[C@H]1C[C@@H](C[N@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000904417422 584881729 /nfs/dbraw/zinc/88/17/29/584881729.db2.gz BOSXQUGZEJGJKO-RQJABVFESA-N 1 3 240.391 1.718 20 0 BDADHO CC[C@H]1C[C@@H](C[N@@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000904417422 584881730 /nfs/dbraw/zinc/88/17/30/584881730.db2.gz BOSXQUGZEJGJKO-RQJABVFESA-N 1 3 240.391 1.718 20 0 BDADHO CCCC[N@H+](C)CCNc1cc(C)nc(N)n1 ZINC000732805118 584941316 /nfs/dbraw/zinc/94/13/16/584941316.db2.gz FAGMCQUWIUBEED-UHFFFAOYSA-N 1 3 237.351 1.511 20 0 BDADHO CCCC[N@@H+](C)CCNc1cc(C)nc(N)n1 ZINC000732805118 584941317 /nfs/dbraw/zinc/94/13/17/584941317.db2.gz FAGMCQUWIUBEED-UHFFFAOYSA-N 1 3 237.351 1.511 20 0 BDADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)CN(C)C(C)C ZINC000733163711 584943998 /nfs/dbraw/zinc/94/39/98/584943998.db2.gz HGYRTOGXVNSISL-GFCCVEGCSA-N 1 3 243.395 1.029 20 0 BDADHO CC[C@H](NCCN1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914156 584991352 /nfs/dbraw/zinc/99/13/52/584991352.db2.gz UKRBKMCJWHDPAS-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@@H](NCCN1CCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914158 584991355 /nfs/dbraw/zinc/99/13/55/584991355.db2.gz UKRBKMCJWHDPAS-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000886839584 585182740 /nfs/dbraw/zinc/18/27/40/585182740.db2.gz HWYKUZDCSAPKRT-XQQFMLRXSA-N 1 3 240.391 1.907 20 0 BDADHO COCC[C@@H](C)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872233 585186647 /nfs/dbraw/zinc/18/66/47/585186647.db2.gz NDRCXIIROMPVGA-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621519 585823074 /nfs/dbraw/zinc/82/30/74/585823074.db2.gz SQYTWPPSEPWCJY-BFHYXJOUSA-N 1 3 238.375 1.175 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782621519 585823075 /nfs/dbraw/zinc/82/30/75/585823075.db2.gz SQYTWPPSEPWCJY-BFHYXJOUSA-N 1 3 238.375 1.175 20 0 BDADHO C[C@@H]1CC[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000783221780 585831200 /nfs/dbraw/zinc/83/12/00/585831200.db2.gz HXJDAUXMYGLOHJ-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CC[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000783240806 585831830 /nfs/dbraw/zinc/83/18/30/585831830.db2.gz RQVMGUWTCGXSOD-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C)C1 ZINC000817888101 586832068 /nfs/dbraw/zinc/83/20/68/586832068.db2.gz APGVWMCURJWDGY-AEGPPILISA-N 1 3 247.386 1.239 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CCN(C)C1 ZINC000817888101 586832070 /nfs/dbraw/zinc/83/20/70/586832070.db2.gz APGVWMCURJWDGY-AEGPPILISA-N 1 3 247.386 1.239 20 0 BDADHO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000817891822 586832857 /nfs/dbraw/zinc/83/28/57/586832857.db2.gz HOUIESMCOILDPX-BFHYXJOUSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)c1ccc(F)cc1 ZINC000817901543 586836260 /nfs/dbraw/zinc/83/62/60/586836260.db2.gz WTZQFJKOPBZGBH-CWSCBRNRSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@@H](NC[C@H](C)N1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000817913184 586837945 /nfs/dbraw/zinc/83/79/45/586837945.db2.gz HHVFZHVXUMJGRW-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](O)c1ccco1 ZINC000817912327 586837965 /nfs/dbraw/zinc/83/79/65/586837965.db2.gz ABKRUQWMRKIQBX-SDDRHHMPSA-N 1 3 238.331 1.420 20 0 BDADHO Cn1nccc1CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000817922590 586840630 /nfs/dbraw/zinc/84/06/30/586840630.db2.gz HONCEZPOKZNKPN-STQMWFEESA-N 1 3 236.363 1.212 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817926493 586840957 /nfs/dbraw/zinc/84/09/57/586840957.db2.gz KHCJXEGVNGCJLB-ILXRZTDVSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H](N[C@@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927374 586841612 /nfs/dbraw/zinc/84/16/12/586841612.db2.gz FPQLNQSKCKOCSR-WFASDCNBSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)C1CNC1 ZINC000817927374 586841613 /nfs/dbraw/zinc/84/16/13/586841613.db2.gz FPQLNQSKCKOCSR-WFASDCNBSA-N 1 3 248.370 1.178 20 0 BDADHO C(N[C@@H]1CCC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000817950816 586846978 /nfs/dbraw/zinc/84/69/78/586846978.db2.gz ZTWYFWOFPITHAW-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO C(N[C@H]1CCC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000817950817 586848018 /nfs/dbraw/zinc/84/80/18/586848018.db2.gz ZTWYFWOFPITHAW-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO CCNCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000818525036 586897065 /nfs/dbraw/zinc/89/70/65/586897065.db2.gz VIUCNFKLHNNXNU-SECBINFHSA-N 1 3 221.304 1.254 20 0 BDADHO C[C@@H]([NH2+]CCCO)c1cccc(CN(C)C)c1 ZINC000820806076 587073451 /nfs/dbraw/zinc/07/34/51/587073451.db2.gz ZRASDWMAFVIJHR-GFCCVEGCSA-N 1 3 236.359 1.781 20 0 BDADHO CCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000830028105 587532559 /nfs/dbraw/zinc/53/25/59/587532559.db2.gz DZMQGRGYRWLYAV-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000830028105 587532560 /nfs/dbraw/zinc/53/25/60/587532560.db2.gz DZMQGRGYRWLYAV-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000834813129 587767346 /nfs/dbraw/zinc/76/73/46/587767346.db2.gz FGUDDHXVRMWQGV-SNVBAGLBSA-N 1 3 235.331 1.003 20 0 BDADHO [NH3+]CCc1ccc(CNCC2(F)CC2)cc1 ZINC000841032267 587937272 /nfs/dbraw/zinc/93/72/72/587937272.db2.gz ARUQEKVZAWRHHR-UHFFFAOYSA-N 1 3 222.307 1.780 20 0 BDADHO CCCCC[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000841088391 587943808 /nfs/dbraw/zinc/94/38/08/587943808.db2.gz ZULYAENZMJQNLY-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1cccnc1Cl ZINC000841081870 587944589 /nfs/dbraw/zinc/94/45/89/587944589.db2.gz YSROOIMBLUNOSO-VIFPVBQESA-N 1 3 227.739 1.952 20 0 BDADHO Cc1ncc(CN[C@H]2CC23CC[NH2+]CC3)s1 ZINC000841079740 587944740 /nfs/dbraw/zinc/94/47/40/587944740.db2.gz NBIRUKPGTVZPNW-NSHDSACASA-N 1 3 237.372 1.683 20 0 BDADHO [NH3+]Cc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000842645847 588048027 /nfs/dbraw/zinc/04/80/27/588048027.db2.gz NBRNBYLXDAOLIE-LLVKDONJSA-N 1 3 244.298 1.620 20 0 BDADHO CCCCOC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000843356152 588103172 /nfs/dbraw/zinc/10/31/72/588103172.db2.gz RUUGOEXKOFOUSL-ZDUSSCGKSA-N 1 3 242.363 1.437 20 0 BDADHO COC[C@H]1CN(CCCCCC[NH3+])C[C@@H](C)O1 ZINC000846221376 588261447 /nfs/dbraw/zinc/26/14/47/588261447.db2.gz XYJKQAHLMLNVLG-CHWSQXEVSA-N 1 3 244.379 1.241 20 0 BDADHO CC(C)C(=O)NCCN(C)CCCCCC[NH3+] ZINC000846224477 588261674 /nfs/dbraw/zinc/26/16/74/588261674.db2.gz YCWMNQHGSKXCMZ-UHFFFAOYSA-N 1 3 243.395 1.210 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCNc2ccccc2)C1 ZINC000848718595 588408531 /nfs/dbraw/zinc/40/85/31/588408531.db2.gz NRYUAXMVCVVCCH-JSGCOSHPSA-N 1 3 233.359 1.958 20 0 BDADHO CC(C)(CNC(=[NH2+])N1CCC1)N1CCCCC1 ZINC000848981627 588423501 /nfs/dbraw/zinc/42/35/01/588423501.db2.gz GJOHGXPUNGJGRZ-UHFFFAOYSA-N 1 3 238.379 1.481 20 0 BDADHO CCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000848987006 588425556 /nfs/dbraw/zinc/42/55/56/588425556.db2.gz DOKVTPDBIKHSSY-NEPJUHHUSA-N 1 3 240.395 1.773 20 0 BDADHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000848999142 588430050 /nfs/dbraw/zinc/43/00/50/588430050.db2.gz XAJDMEFLIINYRF-GFCCVEGCSA-N 1 3 240.395 1.727 20 0 BDADHO C[C@@H]1CCN(CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849004374 588431589 /nfs/dbraw/zinc/43/15/89/588431589.db2.gz OCRAOSSOARILLG-GFCCVEGCSA-N 1 3 246.358 1.965 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004257 588431624 /nfs/dbraw/zinc/43/16/24/588431624.db2.gz JQXRNHFKZYNXCJ-GHMZBOCLSA-N 1 3 226.368 1.241 20 0 BDADHO CCCCNC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004255 588431633 /nfs/dbraw/zinc/43/16/33/588431633.db2.gz JPTUGZBPANBPCC-LLVKDONJSA-N 1 3 226.368 1.242 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)CN(C)C ZINC000849029999 588442214 /nfs/dbraw/zinc/44/22/14/588442214.db2.gz CFROLKQEWHFILO-RYUDHWBXSA-N 1 3 240.395 1.440 20 0 BDADHO CCCCCCNC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030360 588442466 /nfs/dbraw/zinc/44/24/66/588442466.db2.gz LNYYPOMIAAOUMI-GFCCVEGCSA-N 1 3 242.411 1.878 20 0 BDADHO CC1(C)CCCN1CCNC(=[NH2+])NC1CC1 ZINC000849039153 588446640 /nfs/dbraw/zinc/44/66/40/588446640.db2.gz KNYOXZOYMNVWAW-UHFFFAOYSA-N 1 3 224.352 1.137 20 0 BDADHO CC[N@@H+]1CCCN(CCN2CCCC2)[C@H](C)C1 ZINC000852165965 588668862 /nfs/dbraw/zinc/66/88/62/588668862.db2.gz NPJVCJHOCIGVDH-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CC[N@H+]1CCCN(CCN2CCCC2)[C@H](C)C1 ZINC000852165965 588668863 /nfs/dbraw/zinc/66/88/63/588668863.db2.gz NPJVCJHOCIGVDH-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO FC(F)OCCN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000852750081 588700234 /nfs/dbraw/zinc/70/02/34/588700234.db2.gz VMXDUPIMPPJGTL-LLVKDONJSA-N 1 3 248.317 1.690 20 0 BDADHO CCO[C@@H](CN1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000863539549 589295508 /nfs/dbraw/zinc/29/55/08/589295508.db2.gz DZXXVLIUFHQNGS-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H](C[N@@H+]1CCC[C@H](CN)C1)C1CC1 ZINC000863539549 589295509 /nfs/dbraw/zinc/29/55/09/589295509.db2.gz DZXXVLIUFHQNGS-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H](C[N@H+]1CCC[C@H](CN)C1)C1CC1 ZINC000863539549 589295510 /nfs/dbraw/zinc/29/55/10/589295510.db2.gz DZXXVLIUFHQNGS-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]([NH3+])c1ccc(-c2cnn3c2CNCC3)cc1 ZINC000863713619 589312368 /nfs/dbraw/zinc/31/23/68/589312368.db2.gz PDQUWKPDIOUTJN-JTQLQIEISA-N 1 3 242.326 1.673 20 0 BDADHO CN1CC[C@@H]2C[N@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703718 589513945 /nfs/dbraw/zinc/51/39/45/589513945.db2.gz KTYGXBKQAHCKKH-UKRRQHHQSA-N 1 3 245.370 1.795 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703718 589513946 /nfs/dbraw/zinc/51/39/46/589513946.db2.gz KTYGXBKQAHCKKH-UKRRQHHQSA-N 1 3 245.370 1.795 20 0 BDADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867987282 589542543 /nfs/dbraw/zinc/54/25/43/589542543.db2.gz JENVDILCFWJHDX-JFGNBEQYSA-N 1 3 245.326 1.159 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141869 589882463 /nfs/dbraw/zinc/88/24/63/589882463.db2.gz XJHWUSKGPVEATO-CHWSQXEVSA-N 1 3 238.375 1.616 20 0 BDADHO [NH3+]CCCN1CC[C@]2(CCc3ccccc32)C1 ZINC000872146247 589884666 /nfs/dbraw/zinc/88/46/66/589884666.db2.gz IZEVMYWIVFLSIW-OAHLLOKOSA-N 1 3 230.355 1.925 20 0 BDADHO [NH3+]CCCN1CC[C@@]2(CCc3ccccc32)C1 ZINC000872146246 589884919 /nfs/dbraw/zinc/88/49/19/589884919.db2.gz IZEVMYWIVFLSIW-HNNXBMFYSA-N 1 3 230.355 1.925 20 0 BDADHO C[C@@H]1COCC[C@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236501 590004395 /nfs/dbraw/zinc/00/43/95/590004395.db2.gz HQJXQJQZMGALTL-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO CCn1ccnc1[C@H](C)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000873249106 590007485 /nfs/dbraw/zinc/00/74/85/590007485.db2.gz ILWIFQHFZFUXDT-GARJFASQSA-N 1 3 222.336 1.291 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)C1CNC1 ZINC000873249832 590007638 /nfs/dbraw/zinc/00/76/38/590007638.db2.gz CPWCZRMYMDOIPX-YPMHNXCESA-N 1 3 238.375 1.391 20 0 BDADHO CCn1ccnc1[C@@H](C)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000873249107 590007790 /nfs/dbraw/zinc/00/77/90/590007790.db2.gz ILWIFQHFZFUXDT-MXWKQRLJSA-N 1 3 222.336 1.291 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873255878 590010744 /nfs/dbraw/zinc/01/07/44/590010744.db2.gz JPZCNWQIGUPONG-DCAQKATOSA-N 1 3 234.347 1.217 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873281202 590018504 /nfs/dbraw/zinc/01/85/04/590018504.db2.gz HBNJYUIGONKYPF-PEDHHIEDSA-N 1 3 238.375 1.661 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(CN)c1 ZINC000877022528 590270557 /nfs/dbraw/zinc/27/05/57/590270557.db2.gz XXINELOOKUULLH-QWHCGFSZSA-N 1 3 247.342 1.016 20 0 BDADHO C[C@H]1CC[C@H](NC(=O)c2cccc(CN)c2)C[NH2+]1 ZINC000877052204 590274897 /nfs/dbraw/zinc/27/48/97/590274897.db2.gz QGHHCRZUFLRLRG-GWCFXTLKSA-N 1 3 247.342 1.016 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000877105845 590285047 /nfs/dbraw/zinc/28/50/47/590285047.db2.gz SLEZGYNUIXTJCW-JQWIXIFHSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@@H](C(=O)N(C)CCCCCC[NH3+])N(C)C ZINC000877436986 590328039 /nfs/dbraw/zinc/32/80/39/590328039.db2.gz QXIZXPOXAKPYJH-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877739247 590406051 /nfs/dbraw/zinc/40/60/51/590406051.db2.gz FTLHRMAQHDQCQG-YVECIDJPSA-N 1 3 208.349 1.668 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877739247 590406052 /nfs/dbraw/zinc/40/60/52/590406052.db2.gz FTLHRMAQHDQCQG-YVECIDJPSA-N 1 3 208.349 1.668 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877741282 590407981 /nfs/dbraw/zinc/40/79/81/590407981.db2.gz MKAOZVTZYPZFLU-UTUOFQBUSA-N 1 3 212.337 1.047 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877741282 590407984 /nfs/dbraw/zinc/40/79/84/590407984.db2.gz MKAOZVTZYPZFLU-UTUOFQBUSA-N 1 3 212.337 1.047 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570791 590808720 /nfs/dbraw/zinc/80/87/20/590808720.db2.gz FTVMTJHFUJUMPN-XJFOESAGSA-N 1 3 238.375 1.316 20 0 BDADHO C[N@H+]1CC[C@@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570791 590808724 /nfs/dbraw/zinc/80/87/24/590808724.db2.gz FTVMTJHFUJUMPN-XJFOESAGSA-N 1 3 238.375 1.316 20 0 BDADHO Cc1nccn1CCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880138092 590940225 /nfs/dbraw/zinc/94/02/25/590940225.db2.gz PTXCHBSUXSKZPB-KBPBESRZSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880138092 590940227 /nfs/dbraw/zinc/94/02/27/590940227.db2.gz PTXCHBSUXSKZPB-KBPBESRZSA-N 1 3 248.374 1.360 20 0 BDADHO CC(C)c1c[nH]c(CNCCCC[NH+](C)C)n1 ZINC000882940266 591479804 /nfs/dbraw/zinc/47/98/04/591479804.db2.gz PEDKWABCPQZHRU-UHFFFAOYSA-N 1 3 238.379 1.965 20 0 BDADHO CCN1CC[C@@H]1CNc1cc[nH+]cc1C1CC1 ZINC000882958634 591483882 /nfs/dbraw/zinc/48/38/82/591483882.db2.gz GIGMDBPEVYSDJH-GFCCVEGCSA-N 1 3 231.343 1.887 20 0 BDADHO C[C@@](C[NH3+])(NC[C@@H]1CCC2(CCC2)O1)C1CC1 ZINC000883418985 591654480 /nfs/dbraw/zinc/65/44/80/591654480.db2.gz XGOCHRQUIXXYFL-STQMWFEESA-N 1 3 238.375 1.805 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCNCCC1(C)C ZINC000883439562 591668762 /nfs/dbraw/zinc/66/87/62/591668762.db2.gz VIFWTVHFBXUXQI-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO Cn1cncc1CC[N@H+]1CCNCCC1(C)C ZINC000883439562 591668763 /nfs/dbraw/zinc/66/87/63/591668763.db2.gz VIFWTVHFBXUXQI-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO CC1(C)Nc2ccccc2[C@@H]1[NH2+]CCN ZINC000883464415 591675646 /nfs/dbraw/zinc/67/56/46/591675646.db2.gz MVSNFSOPAVOMNI-NSHDSACASA-N 1 3 205.305 1.480 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884298659 591898541 /nfs/dbraw/zinc/89/85/41/591898541.db2.gz ZSQCTCKWRGGJSI-ZDUSSCGKSA-N 1 3 247.342 1.472 20 0 BDADHO C[NH2+]C1CCN(C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886827625 592350269 /nfs/dbraw/zinc/35/02/69/592350269.db2.gz OKUSOSPLSYJPKG-AAEUAGOBSA-N 1 3 224.348 1.097 20 0 BDADHO CNC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886827625 592350274 /nfs/dbraw/zinc/35/02/74/592350274.db2.gz OKUSOSPLSYJPKG-AAEUAGOBSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1CN ZINC000886840343 592359770 /nfs/dbraw/zinc/35/97/70/592359770.db2.gz ZMGWDPQWFMAMKV-MQYQWHSLSA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1CN ZINC000886840343 592359775 /nfs/dbraw/zinc/35/97/75/592359775.db2.gz ZMGWDPQWFMAMKV-MQYQWHSLSA-N 1 3 238.375 1.330 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1C[C@@]13CCOC3)C2 ZINC000886841271 592360092 /nfs/dbraw/zinc/36/00/92/592360092.db2.gz GTQZJBRKFVJXON-SYQHCUMBSA-N 1 3 236.359 1.226 20 0 BDADHO C[NH2+]CCCN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859801 592372882 /nfs/dbraw/zinc/37/28/82/592372882.db2.gz GDMABZGWSWEZER-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859801 592372885 /nfs/dbraw/zinc/37/28/85/592372885.db2.gz GDMABZGWSWEZER-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859801 592372892 /nfs/dbraw/zinc/37/28/92/592372892.db2.gz GDMABZGWSWEZER-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865320 592374201 /nfs/dbraw/zinc/37/42/01/592374201.db2.gz HHMLNJYWSIMMKS-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO COC[C@@H](C)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872477 592377758 /nfs/dbraw/zinc/37/77/58/592377758.db2.gz SYQZLIMOVJOACB-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380176 /nfs/dbraw/zinc/38/01/76/592380176.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 1 3 238.375 1.173 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380180 /nfs/dbraw/zinc/38/01/80/592380180.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 1 3 238.375 1.173 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380181 /nfs/dbraw/zinc/38/01/81/592380181.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 1 3 238.375 1.173 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000220959011 592380188 /nfs/dbraw/zinc/38/01/88/592380188.db2.gz BRYMXAAMAAUUIW-HZSPNIEDSA-N 1 3 238.375 1.173 20 0 BDADHO CC1(C)CCCN1CCNC(=[NH2+])NCC1CC1 ZINC000887361736 592490776 /nfs/dbraw/zinc/49/07/76/592490776.db2.gz IAAHDYVPBDJYOH-UHFFFAOYSA-N 1 3 238.379 1.385 20 0 BDADHO FC1CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925713860 634416826 /nfs/dbraw/zinc/41/68/26/634416826.db2.gz VIEWUYCBDAHRNG-HTAVTVPLSA-N 1 3 230.327 1.093 20 0 BDADHO C[C@@H](CN[C@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024123 634439125 /nfs/dbraw/zinc/43/91/25/634439125.db2.gz BQTNZSUUZZYGOW-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](C[NH2+][C@H]1COCC1(C)C)CN1CCCC1 ZINC000313024123 634439127 /nfs/dbraw/zinc/43/91/27/634439127.db2.gz BQTNZSUUZZYGOW-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925715653 634443032 /nfs/dbraw/zinc/44/30/32/634443032.db2.gz GNKVQDSUTSPEIS-WUHRBBMRSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]([NH3+])[C@@H](NC[C@@H]1CCCN1C)c1ccccc1 ZINC000925716567 634446376 /nfs/dbraw/zinc/44/63/76/634446376.db2.gz AACJZCUQYCLISH-VHDGCEQUSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C[C@H]1CN ZINC000253179353 634516242 /nfs/dbraw/zinc/51/62/42/634516242.db2.gz CUAWNJXQLKRCRC-FRRDWIJNSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C[C@H]1CN ZINC000253179353 634516246 /nfs/dbraw/zinc/51/62/46/634516246.db2.gz CUAWNJXQLKRCRC-FRRDWIJNSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]([NH2+]CC1(CC2CC2)CC1)C1CNC1 ZINC000925734187 634582979 /nfs/dbraw/zinc/58/29/79/634582979.db2.gz OABLOOFXCIXVCH-SNVBAGLBSA-N 1 3 208.349 1.764 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC000309372306 632026551 /nfs/dbraw/zinc/02/65/51/632026551.db2.gz POEMHOXNCQWNIT-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO NCC(C[NH3+])NCc1ccc(Cl)c(Cl)c1 ZINC000309582249 632550934 /nfs/dbraw/zinc/55/09/34/632550934.db2.gz SWAIBZNPBLSPEL-UHFFFAOYSA-N 1 3 248.157 1.369 20 0 BDADHO CCCCN1CCCC[C@@H]1CNC(NC)=[NH+]C ZINC000066245828 632861044 /nfs/dbraw/zinc/86/10/44/632861044.db2.gz TYSPCZOHENPYQX-GFCCVEGCSA-N 1 3 240.395 1.436 20 0 BDADHO CC(C)(C)NCc1cn(CC(C)(C)C[NH3+])nn1 ZINC000320224787 636140137 /nfs/dbraw/zinc/14/01/37/636140137.db2.gz UHEBEJATBIUMAH-UHFFFAOYSA-N 1 3 239.367 1.151 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328564649 633776416 /nfs/dbraw/zinc/77/64/16/633776416.db2.gz KRMAPPCQACORNU-GYFJUXSHSA-N 1 3 206.333 1.228 20 0 BDADHO CC1(C)[C@H](NCCn2ccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510816 633850732 /nfs/dbraw/zinc/85/07/32/633850732.db2.gz ZQJSGGNNVDYIDR-FRRDWIJNSA-N 1 3 248.374 1.249 20 0 BDADHO C[C@H]1CCCCN1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925550454 633994948 /nfs/dbraw/zinc/99/49/48/633994948.db2.gz MPVBHHYCGLSLAZ-QWHCGFSZSA-N 1 3 239.407 1.591 20 0 BDADHO CCCCN(C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309983042 634025446 /nfs/dbraw/zinc/02/54/46/634025446.db2.gz POFLFVSQWZMUFE-CQSZACIVSA-N 1 3 240.391 1.708 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925645213 634197203 /nfs/dbraw/zinc/19/72/03/634197203.db2.gz OSFXFJSYYKNPEP-XBFCOCLRSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925645213 634197210 /nfs/dbraw/zinc/19/72/10/634197210.db2.gz OSFXFJSYYKNPEP-XBFCOCLRSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)[C@H](O)C(C)C ZINC000925691535 634317440 /nfs/dbraw/zinc/31/74/40/634317440.db2.gz OGTKCHRUSRYMLS-WUHRBBMRSA-N 1 3 240.391 1.641 20 0 BDADHO C[C@H]1CN(CCC[NH3+])Cc2ccccc21 ZINC000082791066 636447420 /nfs/dbraw/zinc/44/74/20/636447420.db2.gz KUENAXTYIDPLEB-NSHDSACASA-N 1 3 204.317 1.955 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704249 637012107 /nfs/dbraw/zinc/01/21/07/637012107.db2.gz CDSPJNFJYRBPCI-VXGBXAGGSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704249 637012110 /nfs/dbraw/zinc/01/21/10/637012110.db2.gz CDSPJNFJYRBPCI-VXGBXAGGSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704249 637012121 /nfs/dbraw/zinc/01/21/21/637012121.db2.gz CDSPJNFJYRBPCI-VXGBXAGGSA-N 1 3 249.358 1.780 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924706590 637015001 /nfs/dbraw/zinc/01/50/01/637015001.db2.gz QEDGGYVBSQOTEG-RYUDHWBXSA-N 1 3 228.380 1.325 20 0 BDADHO CCn1cnc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000902615903 637314695 /nfs/dbraw/zinc/31/46/95/637314695.db2.gz MYFFHOCXFRYIJX-BJHJDKERSA-N 1 3 236.363 1.333 20 0 BDADHO CCCCN(CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903437157 637360212 /nfs/dbraw/zinc/36/02/12/637360212.db2.gz GJESACUVFSZDBQ-OLZOCXBDSA-N 1 3 228.380 1.590 20 0 BDADHO CCc1noc([C@H]2CC[C@H]([NH2+]CCCN)C2)n1 ZINC000904428122 637399107 /nfs/dbraw/zinc/39/91/07/637399107.db2.gz DPASUTVFBBINRI-UWVGGRQHSA-N 1 3 238.335 1.207 20 0 BDADHO CN(C)c1ccccc1C[NH2+]CC1(N)CC1 ZINC000904451663 637417520 /nfs/dbraw/zinc/41/75/20/637417520.db2.gz YWPQEHDJXKUCFQ-UHFFFAOYSA-N 1 3 219.332 1.334 20 0 BDADHO [NH3+][C@H]1C[C@H](NCc2cc(-n3ccnc3)cs2)C1 ZINC000906516294 638186232 /nfs/dbraw/zinc/18/62/32/638186232.db2.gz BEWNUGIABXWLEX-MGCOHNPYSA-N 1 3 248.355 1.513 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000906500767 638194861 /nfs/dbraw/zinc/19/48/61/638194861.db2.gz NNGJWHXGCDSOGU-AAEUAGOBSA-N 1 3 248.374 1.203 20 0 BDADHO C[C@@H](NC[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241537 711459589 /nfs/dbraw/zinc/45/95/89/711459589.db2.gz XHCWLYYGPIALQM-PWSUYJOCSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](C1CC1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076045 640059218 /nfs/dbraw/zinc/05/92/18/640059218.db2.gz MWLNFGIUDMBZGI-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435624 640201459 /nfs/dbraw/zinc/20/14/59/640201459.db2.gz BVHLQKKKNZAMSU-RFQIPJPRSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435624 640201460 /nfs/dbraw/zinc/20/14/60/640201460.db2.gz BVHLQKKKNZAMSU-RFQIPJPRSA-N 1 3 238.375 1.437 20 0 BDADHO COCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931438022 640203644 /nfs/dbraw/zinc/20/36/44/640203644.db2.gz XXBZPYJPAPMTET-FRRDWIJNSA-N 1 3 226.364 1.295 20 0 BDADHO COCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931438022 640203649 /nfs/dbraw/zinc/20/36/49/640203649.db2.gz XXBZPYJPAPMTET-FRRDWIJNSA-N 1 3 226.364 1.295 20 0 BDADHO [NH3+]CCC1CCN(C/C=C/Cl)CC1 ZINC000069730061 642898148 /nfs/dbraw/zinc/89/81/48/642898148.db2.gz SXRHSCKRNAJIRV-ORCRQEGFSA-N 1 3 202.729 1.800 20 0 BDADHO C[C@@H]1COCCN1CCCCCCC[NH3+] ZINC000035776839 643254228 /nfs/dbraw/zinc/25/42/28/643254228.db2.gz MOFUCZUMTRDORF-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CN1CCN(CCC[NH2+]C2CC2)CC1(C)C ZINC000082478050 643318567 /nfs/dbraw/zinc/31/85/67/643318567.db2.gz HRPGWDBELPSBCI-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921620861 643629067 /nfs/dbraw/zinc/62/90/67/643629067.db2.gz VPSHWCGICXKEKA-ZDUSSCGKSA-N 1 3 249.358 1.607 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921620861 643629073 /nfs/dbraw/zinc/62/90/73/643629073.db2.gz VPSHWCGICXKEKA-ZDUSSCGKSA-N 1 3 249.358 1.607 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000050268397 643670885 /nfs/dbraw/zinc/67/08/85/643670885.db2.gz WWNBESDDZQMXLS-MJBXVCDLSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000050268397 643670890 /nfs/dbraw/zinc/67/08/90/643670890.db2.gz WWNBESDDZQMXLS-MJBXVCDLSA-N 1 3 236.359 1.896 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)[C@@H]1CCCO1 ZINC000086495205 644142146 /nfs/dbraw/zinc/14/21/46/644142146.db2.gz MLUAIXUIPBFLDD-VOAKCMCISA-N 1 3 226.364 1.674 20 0 BDADHO NC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923279783 644312022 /nfs/dbraw/zinc/31/20/22/644312022.db2.gz CXZVYNCKVAJHDD-CABCVRRESA-N 1 3 248.370 1.403 20 0 BDADHO NC[C@H]1CCCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923279783 644312028 /nfs/dbraw/zinc/31/20/28/644312028.db2.gz CXZVYNCKVAJHDD-CABCVRRESA-N 1 3 248.370 1.403 20 0 BDADHO C[C@H](NC(CN)C[NH3+])c1ccc(F)c(Cl)c1 ZINC000923351402 644367950 /nfs/dbraw/zinc/36/79/50/644367950.db2.gz KPHHSFRPMDEMEV-ZETCQYMHSA-N 1 3 245.729 1.416 20 0 BDADHO CCCCCC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923356896 644375245 /nfs/dbraw/zinc/37/52/45/644375245.db2.gz VOMRJNMLPGYGBM-KGLIPLIRSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923367879 644379226 /nfs/dbraw/zinc/37/92/26/644379226.db2.gz KKCSFTIIIZXDDW-QEJZJMRPSA-N 1 3 248.370 1.402 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000923367879 644379231 /nfs/dbraw/zinc/37/92/31/644379231.db2.gz KKCSFTIIIZXDDW-QEJZJMRPSA-N 1 3 248.370 1.402 20 0 BDADHO C[C@]12COC[C@@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923387248 644400297 /nfs/dbraw/zinc/40/02/97/644400297.db2.gz CFQUHOJBGAPJHY-AAEUAGOBSA-N 1 3 224.348 1.097 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000084215984 644421373 /nfs/dbraw/zinc/42/13/73/644421373.db2.gz UDCAOJYQQWQFPN-WCQYABFASA-N 1 3 222.332 1.929 20 0 BDADHO Cc1cccc([C@H](C)N2CCNCC[NH2+]CC2)c1 ZINC000923462067 644446327 /nfs/dbraw/zinc/44/63/27/644446327.db2.gz CBHRTJSNQKFOHV-AWEZNQCLSA-N 1 3 247.386 1.551 20 0 BDADHO CCC[C@@H](C)CCC[NH+]1CCNCCNCC1 ZINC000923461530 644447226 /nfs/dbraw/zinc/44/72/26/644447226.db2.gz YHBFPRWFCIFHKD-CQSZACIVSA-N 1 3 241.423 1.698 20 0 BDADHO C[C@@H]1C[NH+](C[C@]2(C)CCCNC2)C[C@H]1C ZINC000086015460 644456843 /nfs/dbraw/zinc/45/68/43/644456843.db2.gz WHTVMMTVUIIJGB-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO Cc1nccnc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923491026 644465597 /nfs/dbraw/zinc/46/55/97/644465597.db2.gz QBAUHZNULNOFKG-CMPLNLGQSA-N 1 3 234.347 1.202 20 0 BDADHO C([C@@H]1CCCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516243 644480492 /nfs/dbraw/zinc/48/04/92/644480492.db2.gz WPPFARPVLVDDGL-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO COC[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000250776143 644779496 /nfs/dbraw/zinc/77/94/96/644779496.db2.gz AJQQHKHJSNMZKC-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000250776143 644779506 /nfs/dbraw/zinc/77/95/06/644779506.db2.gz AJQQHKHJSNMZKC-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250888007 644785986 /nfs/dbraw/zinc/78/59/86/644785986.db2.gz WWNBESDDZQMXLS-BFHYXJOUSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250888007 644785990 /nfs/dbraw/zinc/78/59/90/644785990.db2.gz WWNBESDDZQMXLS-BFHYXJOUSA-N 1 3 236.359 1.896 20 0 BDADHO C[C@@H]1CCCCN1CCC[NH2+][C@H]1CCOC1 ZINC000252231421 644843383 /nfs/dbraw/zinc/84/33/83/644843383.db2.gz ZWLAAUDIYCDONZ-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C=CCC1 ZINC000926838923 645449784 /nfs/dbraw/zinc/44/97/84/645449784.db2.gz WNMSDXWAMZZEMY-ICIURTGMSA-N 1 3 220.360 1.882 20 0 BDADHO CCN1CCC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925494099 645731759 /nfs/dbraw/zinc/73/17/59/645731759.db2.gz NJDVRGXIMUDFOB-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)C1CC1 ZINC000925040399 646164225 /nfs/dbraw/zinc/16/42/25/646164225.db2.gz MJRPKSGFSHLEDU-ZZWXXDIBSA-N 1 3 238.375 1.077 20 0 BDADHO CC[C@@H](CO)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000929717937 646271221 /nfs/dbraw/zinc/27/12/21/646271221.db2.gz BCZANSIRNVVVQJ-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]CCOc1cccnc1 ZINC000925487024 646297235 /nfs/dbraw/zinc/29/72/35/646297235.db2.gz ARLOHWDIXCQNMZ-WCQYABFASA-N 1 3 235.331 1.191 20 0 BDADHO C1CC1[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925492826 646298659 /nfs/dbraw/zinc/29/86/59/646298659.db2.gz IIYQQHLOCHWNMW-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)[C@H](N[C@@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549498 646326823 /nfs/dbraw/zinc/32/68/23/646326823.db2.gz LTVYYYCUOUSREG-FVCCEPFGSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCn2ccnc21 ZINC000925607387 646357144 /nfs/dbraw/zinc/35/71/44/646357144.db2.gz PBTHJPGBRSWPHI-AVGNSLFASA-N 1 3 248.374 1.491 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000925607387 646357148 /nfs/dbraw/zinc/35/71/48/646357148.db2.gz PBTHJPGBRSWPHI-AVGNSLFASA-N 1 3 248.374 1.491 20 0 BDADHO C[C@@H]1CCCN1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925624663 646369588 /nfs/dbraw/zinc/36/95/88/646369588.db2.gz ZLGKSUOYSKKTSW-OLZOCXBDSA-N 1 3 237.391 1.345 20 0 BDADHO C[C@@H]1CCCN1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925624662 646370555 /nfs/dbraw/zinc/37/05/55/646370555.db2.gz ZLGKSUOYSKKTSW-CHWSQXEVSA-N 1 3 237.391 1.345 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925678036 646401284 /nfs/dbraw/zinc/40/12/84/646401284.db2.gz YNMACCAQSUVXRF-DBIOUOCHSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925678036 646401293 /nfs/dbraw/zinc/40/12/93/646401293.db2.gz YNMACCAQSUVXRF-DBIOUOCHSA-N 1 3 212.337 1.269 20 0 BDADHO CC1(C)C[C@@H]([NH3+])C[C@@H](NCc2ccc[nH]c2=O)C1 ZINC000925720680 646445931 /nfs/dbraw/zinc/44/59/31/646445931.db2.gz ZTIBVDRGPXSFDA-NWDGAFQWSA-N 1 3 249.358 1.783 20 0 BDADHO Nc1ccnc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925768085 646468513 /nfs/dbraw/zinc/46/85/13/646468513.db2.gz SFUGGVMWHYEDCY-VXGBXAGGSA-N 1 3 232.331 1.023 20 0 BDADHO CC[C@@H](NCc1cc(N)ccn1)[C@@H]1CCC[NH2+]1 ZINC000925767431 646469079 /nfs/dbraw/zinc/46/90/79/646469079.db2.gz OQQRBUDOPSITSU-OLZOCXBDSA-N 1 3 234.347 1.284 20 0 BDADHO CC1(C)C[C@@H](NCc2cc(N)ccn2)C[C@@H]([NH3+])C1 ZINC000925768093 646469257 /nfs/dbraw/zinc/46/92/57/646469257.db2.gz SKFHIQPGRJKLOY-NEPJUHHUSA-N 1 3 248.374 1.659 20 0 BDADHO C[C@H](NC[C@@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772735 646472855 /nfs/dbraw/zinc/47/28/55/646472855.db2.gz JOTHSMFAQAFQSI-JQWIXIFHSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000925782429 646479885 /nfs/dbraw/zinc/47/98/85/646479885.db2.gz GHKMPJUFOMWLFB-VEGXAWMVSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1CN ZINC000925824475 646496847 /nfs/dbraw/zinc/49/68/47/646496847.db2.gz UDSVGOCJUPCZEO-HDLKOFKZSA-N 1 3 208.349 1.748 20 0 BDADHO C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[C@H]3N)ccc2O1 ZINC000925829296 646500068 /nfs/dbraw/zinc/50/00/68/646500068.db2.gz AUYAYHIXWVEFGL-HONMWMINSA-N 1 3 246.354 1.979 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CNC1 ZINC000925833633 646502768 /nfs/dbraw/zinc/50/27/68/646502768.db2.gz UNCLDMIBNDHCNM-ACLDMZEESA-N 1 3 222.254 1.382 20 0 BDADHO CCOCCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000925875387 646526429 /nfs/dbraw/zinc/52/64/29/646526429.db2.gz SIZNNMYUYVREQP-STQMWFEESA-N 1 3 244.379 1.160 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000926259822 646607686 /nfs/dbraw/zinc/60/76/86/646607686.db2.gz QHHHUQAJSWHFGA-UKIXVXPJSA-N 1 3 238.375 1.077 20 0 BDADHO C[C@@H]1COC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276400 646610040 /nfs/dbraw/zinc/61/00/40/646610040.db2.gz XANNVZFXIAKNSW-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1COC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000926276400 646610042 /nfs/dbraw/zinc/61/00/42/646610042.db2.gz XANNVZFXIAKNSW-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)CN(C)C ZINC000926468240 646652428 /nfs/dbraw/zinc/65/24/28/646652428.db2.gz ASMABZFKGWFJJQ-KBHBFKLGSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cc[nH]c(=O)c1 ZINC000926475792 646653845 /nfs/dbraw/zinc/65/38/45/646653845.db2.gz WYARVTMCCIPXPJ-WDEREUQCSA-N 1 3 237.347 1.636 20 0 BDADHO C[C@@H](NC[C@H](C)C[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000926475792 646653851 /nfs/dbraw/zinc/65/38/51/646653851.db2.gz WYARVTMCCIPXPJ-WDEREUQCSA-N 1 3 237.347 1.636 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCCCCCO)C[C@@H]1CN ZINC000397302721 711705317 /nfs/dbraw/zinc/70/53/17/711705317.db2.gz LDRXSKAWULCUKC-RDBSUJKOSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCCCCCO)C[C@@H]1CN ZINC000397302721 711705318 /nfs/dbraw/zinc/70/53/18/711705318.db2.gz LDRXSKAWULCUKC-RDBSUJKOSA-N 1 3 242.407 1.844 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313147688 711713788 /nfs/dbraw/zinc/71/37/88/711713788.db2.gz SVKKGPINQDGLAT-NWDGAFQWSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@@H](N[C@@H](C)CCCC[NH3+])c1ncc[nH]1 ZINC000379854587 711812714 /nfs/dbraw/zinc/81/27/14/711812714.db2.gz BKJHXZOCHFZYIJ-VHSXEESVSA-N 1 3 210.325 1.578 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CCO[C@H](C)C1)N(C)C ZINC000700421935 711992991 /nfs/dbraw/zinc/99/29/91/711992991.db2.gz HMOZGDLSJXWKKL-IJLUTSLNSA-N 1 3 214.353 1.484 20 0 BDADHO CC1(O)CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000703606820 712080750 /nfs/dbraw/zinc/08/07/50/712080750.db2.gz ZQVADKHESZDNNF-NELGMTEASA-N 1 3 240.391 1.787 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708325826 712187370 /nfs/dbraw/zinc/18/73/70/712187370.db2.gz YESNWMVNFSIIAR-IJLUTSLNSA-N 1 3 226.364 1.471 20 0 BDADHO CC1(C)CO[C@@H](CN2CCC[C@@H](C[NH3+])C2)C1 ZINC000708332140 712188067 /nfs/dbraw/zinc/18/80/67/712188067.db2.gz PMQHDYGCKXYEMX-NWDGAFQWSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCNCCC2(C)C)O1 ZINC000712555630 712445237 /nfs/dbraw/zinc/44/52/37/712445237.db2.gz WYYIDXXHOAEZSP-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCNCCC2(C)C)O1 ZINC000712555630 712445238 /nfs/dbraw/zinc/44/52/38/712445238.db2.gz WYYIDXXHOAEZSP-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000715509649 712524254 /nfs/dbraw/zinc/52/42/54/712524254.db2.gz NWCWXGUUHZIJIW-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)CO1 ZINC000715554629 712528347 /nfs/dbraw/zinc/52/83/47/712528347.db2.gz WTKDAKNQHCFVLM-MROQNXINSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CO1 ZINC000715554629 712528348 /nfs/dbraw/zinc/52/83/48/712528348.db2.gz WTKDAKNQHCFVLM-MROQNXINSA-N 1 3 226.364 1.626 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CCC[NH2+][C@@H]1C ZINC000716843563 712578421 /nfs/dbraw/zinc/57/84/21/712578421.db2.gz KPFJVHOKFTWTGY-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000717282044 712644596 /nfs/dbraw/zinc/64/45/96/712644596.db2.gz FWZOXMFFAWVCDN-UPJWGTAASA-N 1 3 240.391 1.909 20 0 BDADHO COc1ccccc1C[C@@H](C)NCC[NH3+] ZINC000037712945 712744890 /nfs/dbraw/zinc/74/48/90/712744890.db2.gz GYRBCMTYVGBBNC-SNVBAGLBSA-N 1 3 208.305 1.175 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H](CN)C1)C(C)C ZINC000721915169 710688670 /nfs/dbraw/zinc/68/86/70/710688670.db2.gz UDXBEBARNXRJAE-RYUDHWBXSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H](CN)C1)C(C)C ZINC000721915169 710688673 /nfs/dbraw/zinc/68/86/73/710688673.db2.gz UDXBEBARNXRJAE-RYUDHWBXSA-N 1 3 214.353 1.186 20 0 BDADHO C1CCC(N[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000382117200 710794330 /nfs/dbraw/zinc/79/43/30/710794330.db2.gz FTQKWNLVVBCPFA-WXDOIIRRSA-N 1 3 206.333 1.515 20 0 BDADHO CC1(C)CN(CC2CCOCC2)C[C@@H]1[NH3+] ZINC000388012091 711049779 /nfs/dbraw/zinc/04/97/79/711049779.db2.gz CVRXQPRSJOJTIB-NSHDSACASA-N 1 3 212.337 1.082 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000389630400 711084026 /nfs/dbraw/zinc/08/40/26/711084026.db2.gz LZWCANVUMKNPJG-QJPTWQEYSA-N 1 3 228.405 1.669 20 0 BDADHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCC1 ZINC000392838465 711153639 /nfs/dbraw/zinc/15/36/39/711153639.db2.gz PAMKMLHUDATVDK-VXCXXBFVSA-N 1 3 220.360 1.761 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCOC(F)F ZINC000398273103 711406548 /nfs/dbraw/zinc/40/65/48/711406548.db2.gz HGIUBMYAMNTTSX-IUCAKERBSA-N 1 3 222.279 1.346 20 0 BDADHO C[N@H+](CCCN)CC[C@H]1CC1(Cl)Cl ZINC000399270091 711426269 /nfs/dbraw/zinc/42/62/69/711426269.db2.gz UAKHGSWWWCBSJJ-QMMMGPOBSA-N 1 3 225.163 1.851 20 0 BDADHO C[N@@H+](CCCN)CC[C@H]1CC1(Cl)Cl ZINC000399270091 711426270 /nfs/dbraw/zinc/42/62/70/711426270.db2.gz UAKHGSWWWCBSJJ-QMMMGPOBSA-N 1 3 225.163 1.851 20 0 BDADHO CN(CCC[NH3+])CC[C@H]1CC1(Cl)Cl ZINC000399270091 711426272 /nfs/dbraw/zinc/42/62/72/711426272.db2.gz UAKHGSWWWCBSJJ-QMMMGPOBSA-N 1 3 225.163 1.851 20 0 BDADHO CO[C@H]1C[C@@H](CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000721969935 710695384 /nfs/dbraw/zinc/69/53/84/710695384.db2.gz FOTIIUGGEGWOEH-KPWCQOOUSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1C[C@H](NCc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645035 711150459 /nfs/dbraw/zinc/15/04/59/711150459.db2.gz RADFWXWGXKPCIK-ZYHUDNBSSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@@H]1C[C@H](NCc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645035 711150462 /nfs/dbraw/zinc/15/04/62/711150462.db2.gz RADFWXWGXKPCIK-ZYHUDNBSSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@@H]([NH3+])CC(F)F)O1 ZINC000398124176 711402022 /nfs/dbraw/zinc/40/20/22/711402022.db2.gz SCRGQOYOPGWQAR-VGMNWLOBSA-N 1 3 222.279 1.126 20 0 BDADHO CSC[C@H]1CCCN1CCC[NH2+]C1CC1 ZINC000400003585 711437718 /nfs/dbraw/zinc/43/77/18/711437718.db2.gz PSQQZBLUQZHTNE-GFCCVEGCSA-N 1 3 228.405 1.956 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H](CN)C1)C(C)C ZINC000721915167 711694296 /nfs/dbraw/zinc/69/42/96/711694296.db2.gz UDXBEBARNXRJAE-NEPJUHHUSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H](CN)C1)C(C)C ZINC000721915167 711694298 /nfs/dbraw/zinc/69/42/98/711694298.db2.gz UDXBEBARNXRJAE-NEPJUHHUSA-N 1 3 214.353 1.186 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)[C@H](CN)C2)C1 ZINC000721928803 711694559 /nfs/dbraw/zinc/69/45/59/711694559.db2.gz VQDLSSMZUJPJGR-LPWJVIDDSA-N 1 3 226.364 1.328 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C)[C@H](CN)C2)C1 ZINC000721928803 711694560 /nfs/dbraw/zinc/69/45/60/711694560.db2.gz VQDLSSMZUJPJGR-LPWJVIDDSA-N 1 3 226.364 1.328 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000722324426 711737593 /nfs/dbraw/zinc/73/75/93/711737593.db2.gz KNQRNLYVYMCPAS-XQHKEYJVSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722324426 711737594 /nfs/dbraw/zinc/73/75/94/711737594.db2.gz KNQRNLYVYMCPAS-XQHKEYJVSA-N 1 3 238.375 1.659 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880308 711762032 /nfs/dbraw/zinc/76/20/32/711762032.db2.gz IZYUFFCFEDEJCP-LOWDOPEQSA-N 1 3 208.349 1.894 20 0 BDADHO C[C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000229084087 711837591 /nfs/dbraw/zinc/83/75/91/711837591.db2.gz OQJWCQZFKBXCLG-AEGPPILISA-N 1 3 248.370 1.637 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CCO[C@H](C)C1)N(C)C ZINC000700421936 711992756 /nfs/dbraw/zinc/99/27/56/711992756.db2.gz HMOZGDLSJXWKKL-QJPTWQEYSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@H](C)C[NH2+]CC[C@H](C)N(C)C ZINC000700489455 711994588 /nfs/dbraw/zinc/99/45/88/711994588.db2.gz RMWISZVAAXLOPZ-MNOVXSKESA-N 1 3 202.342 1.199 20 0 BDADHO C[C@H](C[C@H]1CCOC1)[NH2+]CC[C@@H](C)N(C)C ZINC000700602492 712000326 /nfs/dbraw/zinc/00/03/26/712000326.db2.gz BJQNMGNIWMTQSW-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000700793546 712004925 /nfs/dbraw/zinc/00/49/25/712004925.db2.gz RQJOFLPLRWJURF-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO CC1(O)CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000703602932 712082290 /nfs/dbraw/zinc/08/22/90/712082290.db2.gz MSSUJIPRKNXHKK-IGJPJIBNSA-N 1 3 226.364 1.397 20 0 BDADHO COC1CC(CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000703855413 712090805 /nfs/dbraw/zinc/09/08/05/712090805.db2.gz LUKKIOZBLHVARG-WXRRBKDZSA-N 1 3 224.348 1.097 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC2CC(OC)C2)C1 ZINC000703867411 712091850 /nfs/dbraw/zinc/09/18/50/712091850.db2.gz WTLMJUDEUHDGMF-PNESKVBLSA-N 1 3 226.364 1.343 20 0 BDADHO C[NH+]1C[C@]2(C)CN(CCCCO)C[C@@]2(C)C1 ZINC000705659366 712135228 /nfs/dbraw/zinc/13/52/28/712135228.db2.gz NFCNMKOHFRDFPR-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO CC[C@@H](O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000707874144 712180523 /nfs/dbraw/zinc/18/05/23/712180523.db2.gz ZZAKUFFYOFMEAL-AGIUHOORSA-N 1 3 226.364 1.031 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708332116 712188202 /nfs/dbraw/zinc/18/82/02/712188202.db2.gz PHLCUMQOWMGDJD-FRRDWIJNSA-N 1 3 240.391 1.861 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1ccns1 ZINC000709824819 712228905 /nfs/dbraw/zinc/22/89/05/712228905.db2.gz JBPGDLPIQFNBCI-PWSUYJOCSA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709824819 712228906 /nfs/dbraw/zinc/22/89/06/712228906.db2.gz JBPGDLPIQFNBCI-PWSUYJOCSA-N 1 3 239.388 1.793 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC000710326349 712252233 /nfs/dbraw/zinc/25/22/33/712252233.db2.gz VYJRAGPINRDKJR-AAVRWANBSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000711110252 712281420 /nfs/dbraw/zinc/28/14/20/712281420.db2.gz PCDKUMJLPNSCCS-MQYQWHSLSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000711110252 712281421 /nfs/dbraw/zinc/28/14/21/712281421.db2.gz PCDKUMJLPNSCCS-MQYQWHSLSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000379007785 712367965 /nfs/dbraw/zinc/36/79/65/712367965.db2.gz IFYCWOKJZFYWCS-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000379007785 712367967 /nfs/dbraw/zinc/36/79/67/712367967.db2.gz IFYCWOKJZFYWCS-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1CNC1 ZINC000712738754 712448600 /nfs/dbraw/zinc/44/86/00/712448600.db2.gz CLVZLMORJOJQIC-XWIASGKRSA-N 1 3 208.349 1.620 20 0 BDADHO C(C[N@@H+]1CCNCCC12CCC2)OC1CC1 ZINC000713263314 712457355 /nfs/dbraw/zinc/45/73/55/712457355.db2.gz QDLRVVHPWYQKMX-UHFFFAOYSA-N 1 3 224.348 1.383 20 0 BDADHO C(C[N@H+]1CCNCCC12CCC2)OC1CC1 ZINC000713263314 712457356 /nfs/dbraw/zinc/45/73/56/712457356.db2.gz QDLRVVHPWYQKMX-UHFFFAOYSA-N 1 3 224.348 1.383 20 0 BDADHO C[N@H+](CCCOC(F)(F)F)CC(C)(C)N ZINC000713424913 712459752 /nfs/dbraw/zinc/45/97/52/712459752.db2.gz YSRZFHOFFZRKJH-UHFFFAOYSA-N 1 3 228.258 1.582 20 0 BDADHO C[N@@H+](CCCOC(F)(F)F)CC(C)(C)N ZINC000713424913 712459753 /nfs/dbraw/zinc/45/97/53/712459753.db2.gz YSRZFHOFFZRKJH-UHFFFAOYSA-N 1 3 228.258 1.582 20 0 BDADHO C=C/C=C/CCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000713751706 712471118 /nfs/dbraw/zinc/47/11/18/712471118.db2.gz ZXMXYLCVSNPBKW-XGACYXMMSA-N 1 3 235.375 1.098 20 0 BDADHO CCC1([NH3+])CCN(CC(C)(C)COC)CC1 ZINC000714756725 712497892 /nfs/dbraw/zinc/49/78/92/712497892.db2.gz MSDRMMDGVJONAD-UHFFFAOYSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715421957 712518372 /nfs/dbraw/zinc/51/83/72/712518372.db2.gz DKCRZJWMJRFSFD-ZRJCITRHSA-N 1 3 238.375 1.471 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715509180 712524226 /nfs/dbraw/zinc/52/42/26/712524226.db2.gz MIUQNUNEVZQLKV-YUTCNCBUSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715562833 712528876 /nfs/dbraw/zinc/52/88/76/712528876.db2.gz RKBPVHXUYSWXLK-XQHKEYJVSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562833 712528877 /nfs/dbraw/zinc/52/88/77/712528877.db2.gz RKBPVHXUYSWXLK-XQHKEYJVSA-N 1 3 226.364 1.484 20 0 BDADHO CCCN1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000716794675 712574031 /nfs/dbraw/zinc/57/40/31/712574031.db2.gz JBQBGFDHXQTQHZ-UHFFFAOYSA-N 1 3 242.363 1.213 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000379817532 712611647 /nfs/dbraw/zinc/61/16/47/712611647.db2.gz RZHOVHSSWDRCFV-KXUCPTDWSA-N 1 3 232.418 1.304 20 0 BDADHO C1=CCC(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000717355922 712650508 /nfs/dbraw/zinc/65/05/08/712650508.db2.gz KMHFPGSXWMWZLR-QSLWVIQJSA-N 1 3 218.344 1.539 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CC(C)(C)CO1 ZINC000717370382 712652465 /nfs/dbraw/zinc/65/24/65/712652465.db2.gz CZIQWUIOCRVRHM-AVGNSLFASA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](C)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720869951 712871733 /nfs/dbraw/zinc/87/17/33/712871733.db2.gz AHEGJGOCWWIQKH-YIZRAAEISA-N 1 3 224.270 1.854 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207887932 956875715 /nfs/dbraw/zinc/87/57/15/956875715.db2.gz SAXGFAQWYQYTLO-GFCCVEGCSA-N 1 3 224.348 1.193 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC000149953190 957817751 /nfs/dbraw/zinc/81/77/51/957817751.db2.gz MQIBSXNUCYAMDD-BETUJISGSA-N 1 3 208.349 1.670 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC000149953190 957817752 /nfs/dbraw/zinc/81/77/52/957817752.db2.gz MQIBSXNUCYAMDD-BETUJISGSA-N 1 3 208.349 1.670 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(CC3CC3)C[C@H]2C1 ZINC000149953190 957817764 /nfs/dbraw/zinc/81/77/64/957817764.db2.gz MQIBSXNUCYAMDD-BETUJISGSA-N 1 3 208.349 1.670 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(CC3CC3)C[C@H]2C1 ZINC000149953190 957817770 /nfs/dbraw/zinc/81/77/70/957817770.db2.gz MQIBSXNUCYAMDD-BETUJISGSA-N 1 3 208.349 1.670 20 0 BDADHO C[C@@H]1CSC[C@H]1[NH2+]CCCN1CCCC1 ZINC000308963257 959551349 /nfs/dbraw/zinc/55/13/49/959551349.db2.gz KQMOWRJLUJYFAS-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001268670556 962260260 /nfs/dbraw/zinc/26/02/60/962260260.db2.gz FAXYEQVFABEEAX-NEPJUHHUSA-N 1 3 243.395 1.075 20 0 BDADHO CCC[N@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001268760633 962336303 /nfs/dbraw/zinc/33/63/03/962336303.db2.gz WOVBUVBDSZPYDN-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CCC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001268760633 962336323 /nfs/dbraw/zinc/33/63/23/962336323.db2.gz WOVBUVBDSZPYDN-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO COCC1(C[NH2+]CC[C@@H](C)N(C)C)CCC1 ZINC000697854637 964570325 /nfs/dbraw/zinc/57/03/25/964570325.db2.gz ZMRLYTXFJQFSNO-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CCOC[C@H]1C)N(C)C ZINC000697891322 964650860 /nfs/dbraw/zinc/65/08/60/964650860.db2.gz RLPBRZIHCRKVBK-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO Cc1cnc(N(C(C)C)C(C)(C)C[NH3+])cc1N ZINC001163188754 965295218 /nfs/dbraw/zinc/29/52/18/965295218.db2.gz FEOHFZUTEKALNN-UHFFFAOYSA-N 1 3 236.363 1.924 20 0 BDADHO Cc1nc(F)ccc1CN1CCC(C[NH3+])CC1 ZINC001205053432 967307194 /nfs/dbraw/zinc/30/71/94/967307194.db2.gz MSZWSUYGBBQUFY-UHFFFAOYSA-N 1 3 237.322 1.700 20 0 BDADHO COC1CC(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000703882325 967882031 /nfs/dbraw/zinc/88/20/31/967882031.db2.gz FOTIIUGGEGWOEH-LLZFXZEUSA-N 1 3 238.375 1.343 20 0 BDADHO COCOCCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC001206606286 968415275 /nfs/dbraw/zinc/41/52/75/968415275.db2.gz JCGIUGZELNDIEQ-LBPRGKRZSA-N 1 3 230.352 1.058 20 0 BDADHO COCOCCC[N@H+]1CCCC[C@@H](CN)C1 ZINC001206606286 968415287 /nfs/dbraw/zinc/41/52/87/968415287.db2.gz JCGIUGZELNDIEQ-LBPRGKRZSA-N 1 3 230.352 1.058 20 0 BDADHO CCCN(CCC[NH+](C)C)C[C@H](O)COCC ZINC001252032245 968452040 /nfs/dbraw/zinc/45/20/40/968452040.db2.gz GQTATOKXCCLEMT-ZDUSSCGKSA-N 1 3 246.395 1.048 20 0 BDADHO CCCC[C@@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001252093976 968574225 /nfs/dbraw/zinc/57/42/25/968574225.db2.gz KWZBDDNFFUTDHO-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CCCC[C@@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252093976 968574237 /nfs/dbraw/zinc/57/42/37/968574237.db2.gz KWZBDDNFFUTDHO-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1CCN(CC(C)(C)C[NH+](C)C)C[C@]1(C)O ZINC001207274723 968705731 /nfs/dbraw/zinc/70/57/31/968705731.db2.gz FLJCGBICZACDLV-OCCSQVGLSA-N 1 3 242.407 1.667 20 0 BDADHO CN1CC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001207801780 968887487 /nfs/dbraw/zinc/88/74/87/968887487.db2.gz SPWPINGPIGAVBP-UHFFFAOYSA-N 1 3 224.348 1.051 20 0 BDADHO C[NH+]1CCC2(CN(C[C@H]3CCCCO3)C2)CC1 ZINC001207959599 968953750 /nfs/dbraw/zinc/95/37/50/968953750.db2.gz NNOLPLUKPXKOBN-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO C[NH+]1CCC(C)(CN2CCOC3(CC3)C2)CC1 ZINC001208111335 969008515 /nfs/dbraw/zinc/00/85/15/969008515.db2.gz KIGUJQWSOMQESQ-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CN(C)CC1(C[N@H+](C)[C@H]2CCOC2)CCCC1 ZINC001208189648 969119103 /nfs/dbraw/zinc/11/91/03/969119103.db2.gz XJHPHJPBSJSNPV-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)CC1(C[N@@H+](C)[C@H]2CCOC2)CCCC1 ZINC001208189648 969119109 /nfs/dbraw/zinc/11/91/09/969119109.db2.gz XJHPHJPBSJSNPV-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)CC1(C[N@H+](C)[C@@H]2CCOC2)CCCC1 ZINC001208192707 969121140 /nfs/dbraw/zinc/12/11/40/969121140.db2.gz XJHPHJPBSJSNPV-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)CC1(C[N@@H+](C)[C@@H]2CCOC2)CCCC1 ZINC001208192707 969121143 /nfs/dbraw/zinc/12/11/43/969121143.db2.gz XJHPHJPBSJSNPV-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CC[NH+]1CCC(CN2CCCC23COC3)CC1 ZINC001208597293 969151738 /nfs/dbraw/zinc/15/17/38/969151738.db2.gz FSZIRASFZUITMG-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605092 969157647 /nfs/dbraw/zinc/15/76/47/969157647.db2.gz YMZJTZUPPOWDEU-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605092 969157656 /nfs/dbraw/zinc/15/76/56/969157656.db2.gz YMZJTZUPPOWDEU-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1CCC[C@H]1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253405865 969158302 /nfs/dbraw/zinc/15/83/02/969158302.db2.gz SXVQKCNDZCUHKR-SDDRHHMPSA-N 1 3 228.380 1.514 20 0 BDADHO CN(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC001208608010 969166315 /nfs/dbraw/zinc/16/63/15/969166315.db2.gz FCVSASGANSMMAX-KGLIPLIRSA-N 1 3 239.407 1.354 20 0 BDADHO CN(C)C[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C)C1 ZINC001208608010 969166322 /nfs/dbraw/zinc/16/63/22/969166322.db2.gz FCVSASGANSMMAX-KGLIPLIRSA-N 1 3 239.407 1.354 20 0 BDADHO CC/C=C\CCN1CCN(CC[NH+](C)C)CC1 ZINC001208723678 969207233 /nfs/dbraw/zinc/20/72/33/969207233.db2.gz FDWGPVIYDCYWQZ-WAYWQWQTSA-N 1 3 239.407 1.522 20 0 BDADHO CC(C)[C@@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001253766149 969384498 /nfs/dbraw/zinc/38/44/98/969384498.db2.gz BUJDLQNSPIEOCL-LBPRGKRZSA-N 1 3 226.364 1.031 20 0 BDADHO CCCN(CCC[NH+](C)C)CCOC ZINC001209215026 969400656 /nfs/dbraw/zinc/40/06/56/969400656.db2.gz LQACLDVMYNOKOA-UHFFFAOYSA-N 1 3 202.342 1.297 20 0 BDADHO COCCN(C)[C@H]1CCC[N@H+](C)CC1 ZINC001254516019 969693033 /nfs/dbraw/zinc/69/30/33/969693033.db2.gz IPQRNODWMGWVGF-NSHDSACASA-N 1 3 200.326 1.049 20 0 BDADHO COCCN(C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254516019 969693039 /nfs/dbraw/zinc/69/30/39/969693039.db2.gz IPQRNODWMGWVGF-NSHDSACASA-N 1 3 200.326 1.049 20 0 BDADHO CO[C@H](C)C1CN([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532106 969733602 /nfs/dbraw/zinc/73/36/02/969733602.db2.gz PDCFXONGLUDKDZ-YPMHNXCESA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)C1CN([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532106 969733613 /nfs/dbraw/zinc/73/36/13/969733613.db2.gz PDCFXONGLUDKDZ-YPMHNXCESA-N 1 3 226.364 1.437 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255287146 970044652 /nfs/dbraw/zinc/04/46/52/970044652.db2.gz VRRNQLFCKNCYJS-GRYCIOLGSA-N 1 3 226.389 1.375 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCSC3)C[C@@H]2C1 ZINC001255287146 970044657 /nfs/dbraw/zinc/04/46/57/970044657.db2.gz VRRNQLFCKNCYJS-GRYCIOLGSA-N 1 3 226.389 1.375 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+]([C@@H]3CCCN(C)C3)C2)C1 ZINC001255492627 970253335 /nfs/dbraw/zinc/25/33/35/970253335.db2.gz IYUAJWMTJZESDD-ZIAGYGMSSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@@]2(CC[N@H+]([C@@H]3CCCN(C)C3)C2)C1 ZINC001255492627 970253351 /nfs/dbraw/zinc/25/33/51/970253351.db2.gz IYUAJWMTJZESDD-ZIAGYGMSSA-N 1 3 237.391 1.108 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC001255942067 970579030 /nfs/dbraw/zinc/57/90/30/970579030.db2.gz BTZLDEIDDZQBCT-JHJVBQTASA-N 1 3 228.380 1.467 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1C[C@@H](O)C1 ZINC001255946388 970583640 /nfs/dbraw/zinc/58/36/40/970583640.db2.gz UJECYKACHROAJI-UTUOFQBUSA-N 1 3 214.353 1.220 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@H](C)[C@H](C)O ZINC001335413252 977039642 /nfs/dbraw/zinc/03/96/42/977039642.db2.gz OISYTGSSHKVNFM-NEPJUHHUSA-N 1 3 216.369 1.323 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@H](C)[C@H](C)O ZINC001335413252 977039653 /nfs/dbraw/zinc/03/96/53/977039653.db2.gz OISYTGSSHKVNFM-NEPJUHHUSA-N 1 3 216.369 1.323 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCCN(C3CC3)C2)C1 ZINC001277921912 978974574 /nfs/dbraw/zinc/97/45/74/978974574.db2.gz HSWYHXIWWUEMQY-CYBMUJFWSA-N 1 3 208.349 1.957 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCCN(C3CC3)C2)C1 ZINC001277921912 978974577 /nfs/dbraw/zinc/97/45/77/978974577.db2.gz HSWYHXIWWUEMQY-CYBMUJFWSA-N 1 3 208.349 1.957 20 0 BDADHO CC1(C)[NH2+]C[C@@H](CN2CCC3(CCC3)C2)O1 ZINC001235919154 979202504 /nfs/dbraw/zinc/20/25/04/979202504.db2.gz UVCRAZAFJOMMDP-NSHDSACASA-N 1 3 224.348 1.587 20 0 BDADHO C[C@@H]1CN(c2cc[nH+]cc2)C[C@H](C)N1C ZINC001354019562 983118082 /nfs/dbraw/zinc/11/80/82/983118082.db2.gz QYCRLJRDQJRWDY-PHIMTYICSA-N 1 3 205.305 1.610 20 0 BDADHO CCCCCCN1CCN(CC[NH+](C)C)CC1 ZINC001201743090 983445578 /nfs/dbraw/zinc/44/55/78/983445578.db2.gz JUCBFIBQLMWOLJ-UHFFFAOYSA-N 1 3 241.423 1.746 20 0 BDADHO CC(C)OCC[C@H](C)NC1(C[NH3+])CC1 ZINC001172443701 974805959 /nfs/dbraw/zinc/80/59/59/974805959.db2.gz HFUVWBFVUZDVAO-JTQLQIEISA-N 1 3 200.326 1.271 20 0 BDADHO COC(=O)CC(C)(C)[N@H+](C)C[C@@H](N)CC(C)C ZINC001327414957 972570767 /nfs/dbraw/zinc/57/07/67/972570767.db2.gz GLAXDLMXPHJLBN-NSHDSACASA-N 1 3 244.379 1.633 20 0 BDADHO COC(=O)CC(C)(C)[N@@H+](C)C[C@@H](N)CC(C)C ZINC001327414957 972570777 /nfs/dbraw/zinc/57/07/77/972570777.db2.gz GLAXDLMXPHJLBN-NSHDSACASA-N 1 3 244.379 1.633 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@](O)(CF)CC2)CCN1 ZINC001246568171 972824116 /nfs/dbraw/zinc/82/41/16/972824116.db2.gz MDANXLFNXZTQNH-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@](O)(CF)CC2)CCN1 ZINC001246568171 972824119 /nfs/dbraw/zinc/82/41/19/972824119.db2.gz MDANXLFNXZTQNH-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@](O)(CF)CC2)CC[NH2+]1 ZINC001246568171 972824128 /nfs/dbraw/zinc/82/41/28/972824128.db2.gz MDANXLFNXZTQNH-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H](Cc1ccccn1)NC(C)(C)C[NH3+] ZINC001256397304 970802076 /nfs/dbraw/zinc/80/20/76/970802076.db2.gz QTIKOOXKKPSVSD-JTQLQIEISA-N 1 3 207.321 1.340 20 0 BDADHO C[C@@H]1C[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677130 970918404 /nfs/dbraw/zinc/91/84/04/970918404.db2.gz KZFOJNQJMCXAEM-BLYZHGLHSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccncc1 ZINC001256730955 970952111 /nfs/dbraw/zinc/95/21/11/970952111.db2.gz YPOVQHZYZVYUQV-MNOVXSKESA-N 1 3 207.321 1.197 20 0 BDADHO [NH3+]C1CC(N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256792401 970987752 /nfs/dbraw/zinc/98/77/52/970987752.db2.gz JVVVHQPZGJWMQZ-HXSCFSKGSA-N 1 3 246.354 1.986 20 0 BDADHO NC1CC([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256792401 970987764 /nfs/dbraw/zinc/98/77/64/970987764.db2.gz JVVVHQPZGJWMQZ-HXSCFSKGSA-N 1 3 246.354 1.986 20 0 BDADHO CNCc1cc(/C=C/C2CC[NH2+]CC2)ncn1 ZINC001243895070 971017226 /nfs/dbraw/zinc/01/72/26/971017226.db2.gz RUGBXOKNYADMIU-NSCUHMNNSA-N 1 3 232.331 1.209 20 0 BDADHO COC1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001257213134 971129143 /nfs/dbraw/zinc/12/91/43/971129143.db2.gz HFFJGVWTACQKPN-UHFFFAOYSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)[NH+]1CCC(N2CCCC[C@H]2CO)CC1 ZINC001257213521 971130778 /nfs/dbraw/zinc/13/07/78/971130778.db2.gz PEPXQXRCWQVCFX-AWEZNQCLSA-N 1 3 240.391 1.706 20 0 BDADHO COC(C)(C)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000404209195 971145127 /nfs/dbraw/zinc/14/51/27/971145127.db2.gz SYKDUZSCGBMYIX-MNOVXSKESA-N 1 3 214.353 1.199 20 0 BDADHO C[C@H]1CCC[N@H+](CCCCCCO)[C@H]1CCN ZINC000404401991 971157288 /nfs/dbraw/zinc/15/72/88/971157288.db2.gz RUSFISKNBYWYQF-KBPBESRZSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@H]1CCC[N@@H+](CCCCCCO)[C@H]1CCN ZINC000404401991 971157300 /nfs/dbraw/zinc/15/73/00/971157300.db2.gz RUSFISKNBYWYQF-KBPBESRZSA-N 1 3 242.407 1.988 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405218447 971210767 /nfs/dbraw/zinc/21/07/67/971210767.db2.gz AEUIBLAVLUQPBG-WOPDTQHZSA-N 1 3 224.348 1.271 20 0 BDADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)C1CC1 ZINC000405218447 971210774 /nfs/dbraw/zinc/21/07/74/971210774.db2.gz AEUIBLAVLUQPBG-WOPDTQHZSA-N 1 3 224.348 1.271 20 0 BDADHO COC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405223469 971215482 /nfs/dbraw/zinc/21/54/82/971215482.db2.gz NNGKFJUWCBHAAG-QJPTWQEYSA-N 1 3 224.348 1.271 20 0 BDADHO CC[C@H]([NH2+][C@H]1C[C@H](N)C12CCC2)C(C)(C)O ZINC000405226901 971216431 /nfs/dbraw/zinc/21/64/31/971216431.db2.gz DNSLWPOYUXSLCK-DCAQKATOSA-N 1 3 226.364 1.395 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCOCC(F)F)C12CCC2 ZINC000405293393 971227695 /nfs/dbraw/zinc/22/76/95/971227695.db2.gz ZJUVNTZLMABWKM-RKDXNWHRSA-N 1 3 234.290 1.128 20 0 BDADHO C[C@H]([NH3+])c1ccc(N[C@@H](C)[C@H]2CNCCO2)cc1 ZINC001170575478 971229159 /nfs/dbraw/zinc/22/91/59/971229159.db2.gz XJBGQFWJWBRDOG-COPLHBTASA-N 1 3 249.358 1.495 20 0 BDADHO CC[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405316513 971230521 /nfs/dbraw/zinc/23/05/21/971230521.db2.gz RRYGEXINEUJMOP-OUAUKWLOSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)OC ZINC000405316513 971230527 /nfs/dbraw/zinc/23/05/27/971230527.db2.gz RRYGEXINEUJMOP-OUAUKWLOSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405361570 971240924 /nfs/dbraw/zinc/24/09/24/971240924.db2.gz ULVUEDWPZHDPRA-VWYCJHECSA-N 1 3 212.337 1.007 20 0 BDADHO CCOC[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405367898 971241930 /nfs/dbraw/zinc/24/19/30/971241930.db2.gz XKSQQNMFCBFHHL-GARJFASQSA-N 1 3 212.337 1.271 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405367898 971241938 /nfs/dbraw/zinc/24/19/38/971241938.db2.gz XKSQQNMFCBFHHL-GARJFASQSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](O)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405362838 971242745 /nfs/dbraw/zinc/24/27/45/971242745.db2.gz VBMRQNXIBBUYNI-AXFHLTTASA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCc2ccc(O)cc2)C12CCC2 ZINC000405536170 971263134 /nfs/dbraw/zinc/26/31/34/971263134.db2.gz ZQHPBMDKYQXZFB-ZIAGYGMSSA-N 1 3 246.354 1.794 20 0 BDADHO CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405501181 971263893 /nfs/dbraw/zinc/26/38/93/971263893.db2.gz QXPGBZKFJSJMSU-UTUOFQBUSA-N 1 3 240.391 1.643 20 0 BDADHO C[NH+](C)CCC(C)(C)Nc1cc(CN)ncn1 ZINC001158757105 971432356 /nfs/dbraw/zinc/43/23/56/971432356.db2.gz JPYHYYFLWNAEAH-UHFFFAOYSA-N 1 3 237.351 1.078 20 0 BDADHO COC(=O)C1CCC([N@H+](C)C[C@@H](C)CN)CC1 ZINC001257858852 971503583 /nfs/dbraw/zinc/50/35/83/971503583.db2.gz WCGVGYNSUGYGLI-UNXYVOJBSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)C1CCC([N@@H+](C)C[C@@H](C)CN)CC1 ZINC001257858852 971503592 /nfs/dbraw/zinc/50/35/92/971503592.db2.gz WCGVGYNSUGYGLI-UNXYVOJBSA-N 1 3 242.363 1.245 20 0 BDADHO CC(C)CN1CCC([NH2+]CC[C@@H](C)CO)CC1 ZINC001258005057 971551554 /nfs/dbraw/zinc/55/15/54/971551554.db2.gz OFIWGSVIDILJKR-CYBMUJFWSA-N 1 3 242.407 1.715 20 0 BDADHO F[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1CNC2 ZINC001218069710 971594261 /nfs/dbraw/zinc/59/42/61/971594261.db2.gz JZTDENSPONGTGD-AAEUAGOBSA-N 1 3 236.290 1.369 20 0 BDADHO c1cc2c(c(O[C@H]3C[C@H]4C[NH2+]C[C@H]4C3)c1)CNC2 ZINC001218136172 971604599 /nfs/dbraw/zinc/60/45/99/971604599.db2.gz LFABPUJHUMKXPJ-CLLJXQQHSA-N 1 3 244.338 1.667 20 0 BDADHO [NH3+]Cc1cccc(O[C@H]2CC[C@@H]3NCCO[C@H]32)c1 ZINC001218151084 971607497 /nfs/dbraw/zinc/60/74/97/971607497.db2.gz SRIVOPOFDWADQV-MELADBBJSA-N 1 3 248.326 1.044 20 0 BDADHO c1cc2c(c(O[C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c1)CNC2 ZINC001218185404 971622212 /nfs/dbraw/zinc/62/22/12/971622212.db2.gz BGHOJMRVIZVOJI-CLLJXQQHSA-N 1 3 244.338 1.952 20 0 BDADHO CC[C@H](C)C[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133962427 971627786 /nfs/dbraw/zinc/62/77/86/971627786.db2.gz IYEYQJWSIWRJFZ-RYUDHWBXSA-N 1 3 243.395 1.079 20 0 BDADHO CN(C)Cc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218283411 971675410 /nfs/dbraw/zinc/67/54/10/971675410.db2.gz IAEHUAWPXBDVTR-ZDUSSCGKSA-N 1 3 234.343 1.879 20 0 BDADHO c1cc2c(c(O[C@@H]3C[C@H]4C[NH2+][C@@H]3C4)c1)CNC2 ZINC001218488369 971831247 /nfs/dbraw/zinc/83/12/47/971831247.db2.gz FKCQXZJEBNRCNA-MRCXROJRSA-N 1 3 230.311 1.419 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc2c1CNC2 ZINC001218994716 971972539 /nfs/dbraw/zinc/97/25/39/971972539.db2.gz NOVRIZCXWGKPRF-ZYHUDNBSSA-N 1 3 245.326 1.356 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2[nH]ccc2c1 ZINC001170899658 972057483 /nfs/dbraw/zinc/05/74/83/972057483.db2.gz KNZMXPCBNORCBD-LBPRGKRZSA-N 1 3 218.304 1.604 20 0 BDADHO CC1(C)COc2ccc(N[C@@H](N)CCC[NH3+])cc21 ZINC001170903291 972075303 /nfs/dbraw/zinc/07/53/03/972075303.db2.gz IWWJXBSYQZCRMA-CYBMUJFWSA-N 1 3 249.358 1.792 20 0 BDADHO C[C@H](N)c1nccn1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079199 972134861 /nfs/dbraw/zinc/13/48/61/972134861.db2.gz DWWCZYGKBPSNRQ-KXUCPTDWSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@@H]1CC[C@H](Nc2cccc(F)c2CN)C[NH2+]1 ZINC001246175439 972206542 /nfs/dbraw/zinc/20/65/42/972206542.db2.gz ZFWQODIUROUHGA-ZJUUUORDSA-N 1 3 237.322 1.837 20 0 BDADHO O[C@H](CCNC1CC[NH2+]CC1)c1ccccc1 ZINC001246213426 972218613 /nfs/dbraw/zinc/21/86/13/972218613.db2.gz UYQRXJAYOSNBTR-CQSZACIVSA-N 1 3 234.343 1.452 20 0 BDADHO C[C@H](C[NH3+])CN(C)[C@@H]1COC(C)(C)C1 ZINC000396634021 957095558 /nfs/dbraw/zinc/09/55/58/957095558.db2.gz HCDDZNXYCUXHCB-ZJUUUORDSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C23CCC(O)(CC2)CC3)CCN1 ZINC001246262181 972251236 /nfs/dbraw/zinc/25/12/36/972251236.db2.gz APUMJRQIOARDFQ-MRFVTOPCSA-N 1 3 238.375 1.554 20 0 BDADHO CN1C[C@@H]2C[N@@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC000194539815 972257106 /nfs/dbraw/zinc/25/71/06/972257106.db2.gz YJOAPIAMKLRDMB-TXEJJXNPSA-N 1 3 205.305 1.008 20 0 BDADHO CN1C[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@@H]2C1 ZINC000194539815 972257110 /nfs/dbraw/zinc/25/71/10/972257110.db2.gz YJOAPIAMKLRDMB-TXEJJXNPSA-N 1 3 205.305 1.008 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](C)Cc1cccc(OC)c1 ZINC001246313718 972275325 /nfs/dbraw/zinc/27/53/25/972275325.db2.gz KKIKGDMNJCXTIF-YPMHNXCESA-N 1 3 236.359 1.953 20 0 BDADHO C[NH2+]CC[C@H](C)N[C@H]1CNc2ccccc2C1 ZINC001246317014 972275757 /nfs/dbraw/zinc/27/57/57/972275757.db2.gz PYMDMUGMNPJLNZ-WCQYABFASA-N 1 3 233.359 1.611 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@H](NC[C@@H]([NH3+])CC)C1 ZINC001246320114 972277899 /nfs/dbraw/zinc/27/78/99/972277899.db2.gz XSDXGHHZRJXBNA-WOPDTQHZSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CCN1 ZINC001246367909 972307263 /nfs/dbraw/zinc/30/72/63/972307263.db2.gz AYWYUAIRLHHZPK-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CCN1 ZINC001246367885 972308522 /nfs/dbraw/zinc/30/85/22/972308522.db2.gz AYWYUAIRLHHZPK-AGIUHOORSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](C)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403216713 958429815 /nfs/dbraw/zinc/42/98/15/958429815.db2.gz GUHCHZMXIDPGAF-UWVGGRQHSA-N 1 3 220.307 1.948 20 0 BDADHO CC1CCN(CCN[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004416 958485945 /nfs/dbraw/zinc/48/59/45/958485945.db2.gz WCPNRRKYOVUOTC-UONOGXRCSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1nccs1 ZINC000693546436 958755550 /nfs/dbraw/zinc/75/55/50/958755550.db2.gz OSIMDJARZISEPE-IWSPIJDZSA-N 1 3 211.334 1.531 20 0 BDADHO CC[C@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000693703719 959204807 /nfs/dbraw/zinc/20/48/07/959204807.db2.gz JAPJKLGZXNKPHJ-FVCCEPFGSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001222237451 972413968 /nfs/dbraw/zinc/41/39/68/972413968.db2.gz KGUGHEALFLOMLP-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@]12CCCNC2 ZINC001222237451 972413973 /nfs/dbraw/zinc/41/39/73/972413973.db2.gz KGUGHEALFLOMLP-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCC[C@@]12CCC[NH2+]C2 ZINC001222237451 972413983 /nfs/dbraw/zinc/41/39/83/972413983.db2.gz KGUGHEALFLOMLP-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)CN(C)C ZINC000926473602 959271112 /nfs/dbraw/zinc/27/11/12/959271112.db2.gz MBSNQVGTFFPSKX-QWRGUYRKSA-N 1 3 216.369 1.181 20 0 BDADHO Cc1ncc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)[nH]1 ZINC000724777856 959446029 /nfs/dbraw/zinc/44/60/29/959446029.db2.gz KMTIYIHNOPUTOM-NEPJUHHUSA-N 1 3 234.347 1.102 20 0 BDADHO Cc1ncc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)[nH]1 ZINC000724777856 959446033 /nfs/dbraw/zinc/44/60/33/959446033.db2.gz KMTIYIHNOPUTOM-NEPJUHHUSA-N 1 3 234.347 1.102 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CO[C@H]1C ZINC000405693554 959489466 /nfs/dbraw/zinc/48/94/66/959489466.db2.gz WZSOTOSJLIHNBO-HPCHECBXSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CO[C@H]1C ZINC000405693554 959489469 /nfs/dbraw/zinc/48/94/69/959489469.db2.gz WZSOTOSJLIHNBO-HPCHECBXSA-N 1 3 238.375 1.626 20 0 BDADHO C[NH+]1CCC(CN2CCc3occc3C2)CC1 ZINC001207399872 959744118 /nfs/dbraw/zinc/74/41/18/959744118.db2.gz YARDNKOUESIOTN-UHFFFAOYSA-N 1 3 234.343 1.980 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](C)O[C@@H](C)C1 ZINC000694888810 960023129 /nfs/dbraw/zinc/02/31/29/960023129.db2.gz ZSGSNDDLZWUNMF-NDBYEHHHSA-N 1 3 226.364 1.341 20 0 BDADHO CC(C)(C)c1ccc(CNC(CN)C[NH3+])cc1 ZINC000695339182 960202744 /nfs/dbraw/zinc/20/27/44/960202744.db2.gz BYZXKBLGESUADU-UHFFFAOYSA-N 1 3 235.375 1.360 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)CCN1 ZINC000709375002 960536522 /nfs/dbraw/zinc/53/65/22/960536522.db2.gz LTAMWKBWWZZCOI-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CO)CC2)CCN1 ZINC000709467565 960611758 /nfs/dbraw/zinc/61/17/58/960611758.db2.gz UOZFVKAPBBTGBR-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO c1ccc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000709452184 960613938 /nfs/dbraw/zinc/61/39/38/960613938.db2.gz ABIXTNZQUZSDKP-YIONKMFJSA-N 1 3 245.370 1.887 20 0 BDADHO C[C@@H]1C[C@@H](O)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488516 960619099 /nfs/dbraw/zinc/61/90/99/960619099.db2.gz BHCTVOQGKBFTNM-VKYHIEHISA-N 1 3 224.348 1.115 20 0 BDADHO OC[C@@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709474355 960623297 /nfs/dbraw/zinc/62/32/97/960623297.db2.gz HYBLMCVMBWRIBH-FXJUQPSGSA-N 1 3 224.348 1.116 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCC(F)(C[NH3+])CC1 ZINC001222533423 960683563 /nfs/dbraw/zinc/68/35/63/960683563.db2.gz YMANKMSOJLYXLM-UHFFFAOYSA-N 1 3 240.326 1.289 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104876 962207208 /nfs/dbraw/zinc/20/72/08/962207208.db2.gz CVNLSBBFGXEMPL-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104876 962207220 /nfs/dbraw/zinc/20/72/20/962207220.db2.gz CVNLSBBFGXEMPL-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CN(Cc1ccc(N2CC[C@@H]([NH3+])C2)nc1)C1CC1 ZINC001156232087 963294961 /nfs/dbraw/zinc/29/49/61/963294961.db2.gz CGMMVAUAIDGVCE-GFCCVEGCSA-N 1 3 246.358 1.213 20 0 BDADHO C[C@H]1[C@@H]([NH3+])CCCN1c1cc(CN(C)C)ccn1 ZINC001157746810 963716858 /nfs/dbraw/zinc/71/68/58/963716858.db2.gz NWDJMIGVZOGOCS-AAEUAGOBSA-N 1 3 248.374 1.459 20 0 BDADHO Cc1cnc(N(C(C)C)[C@H]2CC[NH2+]C2)cc1N ZINC001158032642 963795078 /nfs/dbraw/zinc/79/50/78/963795078.db2.gz JUMZYAVRBBDLAW-NSHDSACASA-N 1 3 234.347 1.549 20 0 BDADHO C[C@@H](Cc1ccc(Cl)cc1)NC[C@H](O)C[NH3+] ZINC001168150154 963869412 /nfs/dbraw/zinc/86/94/12/963869412.db2.gz RHKHAXQRKNZWSN-JOYOIKCWSA-N 1 3 242.750 1.180 20 0 BDADHO CC(C)N1CCN(c2cc(N)cc[nH+]2)C[C@@H]1C ZINC001158494213 963882039 /nfs/dbraw/zinc/88/20/39/963882039.db2.gz XDOXCIZFMLLUEI-NSHDSACASA-N 1 3 234.347 1.583 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)CN)C2 ZINC001168245444 964059806 /nfs/dbraw/zinc/05/98/06/964059806.db2.gz YXCUKFQFWTYAMT-ZWNOBZJWSA-N 1 3 234.343 1.347 20 0 BDADHO CN(C(=O)[C@@H](N)CCCC[NH+](C)C)C(C)(C)C ZINC001160420657 964297545 /nfs/dbraw/zinc/29/75/45/964297545.db2.gz HBXOCOVSVRYYRM-NSHDSACASA-N 1 3 243.395 1.303 20 0 BDADHO CN(Cc1cnccn1)C1CCC([NH+](C)C)CC1 ZINC001168324046 964450445 /nfs/dbraw/zinc/45/04/45/964450445.db2.gz HMFCNRISRLUQMW-UHFFFAOYSA-N 1 3 248.374 1.781 20 0 BDADHO CCCN(C)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001161038621 964495840 /nfs/dbraw/zinc/49/58/40/964495840.db2.gz KLJAANDRTGFKRV-LBPRGKRZSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H](CCN[C@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857874 964569362 /nfs/dbraw/zinc/56/93/62/964569362.db2.gz KWCLGVUINOGSQR-VWYCJHECSA-N 1 3 200.326 1.094 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000697910325 964677217 /nfs/dbraw/zinc/67/72/17/964677217.db2.gz SUQWLCYSIBQAJU-FRRDWIJNSA-N 1 3 228.380 1.874 20 0 BDADHO C[NH+](C)CCCCNc1ccc2c(n1)CNCC2 ZINC001161728560 964716774 /nfs/dbraw/zinc/71/67/74/964716774.db2.gz OPQLMMVCPQCSHH-UHFFFAOYSA-N 1 3 248.374 1.481 20 0 BDADHO CCc1cc(-n2nccc2C[NH3+])ccn1 ZINC001162596661 965067979 /nfs/dbraw/zinc/06/79/79/965067979.db2.gz BGSLXTHLJUQPLZ-UHFFFAOYSA-N 1 3 202.261 1.288 20 0 BDADHO Cc1cc(C)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001162790819 965179531 /nfs/dbraw/zinc/17/95/31/965179531.db2.gz WCGXSBGBKKOSSL-YNEHKIRRSA-N 1 3 229.327 1.884 20 0 BDADHO COc1ccnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001162802484 965188191 /nfs/dbraw/zinc/18/81/91/965188191.db2.gz SQOLEAXSHCSUTD-ONGXEEELSA-N 1 3 239.294 1.450 20 0 BDADHO N[C@H]1CC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400728 965203277 /nfs/dbraw/zinc/20/32/77/965203277.db2.gz QHVAZZLAFWRWBU-UONOGXRCSA-N 1 3 234.318 1.716 20 0 BDADHO N[C@H]1CC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400728 965203285 /nfs/dbraw/zinc/20/32/85/965203285.db2.gz QHVAZZLAFWRWBU-UONOGXRCSA-N 1 3 234.318 1.716 20 0 BDADHO Cc1cc(CN)nn1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001163986068 965676931 /nfs/dbraw/zinc/67/69/31/965676931.db2.gz QQNIRZBLMDYEOS-ZDUSSCGKSA-N 1 3 242.326 1.585 20 0 BDADHO Cc1cc(CN)nn1-c1cc(C)[nH+]c(C)c1 ZINC001163985313 965680469 /nfs/dbraw/zinc/68/04/69/965680469.db2.gz MJWDHHAWSCMXGW-UHFFFAOYSA-N 1 3 216.288 1.651 20 0 BDADHO CC[C@@H]1COC[C@H]1NCCC[NH+]1CCCCC1 ZINC000699538890 965956435 /nfs/dbraw/zinc/95/64/35/965956435.db2.gz DLMLZICSDNKKMO-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO Cn1c(=O)cccc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165291214 966036528 /nfs/dbraw/zinc/03/65/28/966036528.db2.gz ZACLUPUEWYALPF-GFCCVEGCSA-N 1 3 249.358 1.529 20 0 BDADHO Cn1c(=O)cccc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165291214 966036541 /nfs/dbraw/zinc/03/65/41/966036541.db2.gz ZACLUPUEWYALPF-GFCCVEGCSA-N 1 3 249.358 1.529 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2COC[C@@H]2C)CC1 ZINC000699804784 966093316 /nfs/dbraw/zinc/09/33/16/966093316.db2.gz IIMCICXDNASSMV-JSGCOSHPSA-N 1 3 240.391 1.731 20 0 BDADHO COC1CCC(CN2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235976831 966191694 /nfs/dbraw/zinc/19/16/94/966191694.db2.gz CCNWZIROQHIWGS-HHTDUIENSA-N 1 3 238.375 1.615 20 0 BDADHO CN(CCO)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001236255816 966322471 /nfs/dbraw/zinc/32/24/71/966322471.db2.gz IAPYMBPLURXNPS-UHFFFAOYSA-N 1 3 240.322 1.311 20 0 BDADHO CC[C@@H](C)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403216715 966836894 /nfs/dbraw/zinc/83/68/94/966836894.db2.gz GUHCHZMXIDPGAF-ZJUUUORDSA-N 1 3 220.307 1.948 20 0 BDADHO [NH3+]CC1CCN(Cc2cccc3nccn32)CC1 ZINC001205053510 967306719 /nfs/dbraw/zinc/30/67/19/967306719.db2.gz ODILLCUAGOMYKP-UHFFFAOYSA-N 1 3 244.342 1.505 20 0 BDADHO C[C@H]1CN(Cc2cnc3[nH]ccc3c2)C[C@H]1C[NH3+] ZINC001205136131 967381209 /nfs/dbraw/zinc/38/12/09/967381209.db2.gz QCZNXQAGEOVABT-GXFFZTMASA-N 1 3 244.342 1.590 20 0 BDADHO Cc1cc(CCC[NH+]2CCN(C)CC2)cnc1N ZINC001250230177 967544592 /nfs/dbraw/zinc/54/45/92/967544592.db2.gz DKABSROJXZMXOF-UHFFFAOYSA-N 1 3 248.374 1.152 20 0 BDADHO Cc1nc[nH]c1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205546607 967691361 /nfs/dbraw/zinc/69/13/61/967691361.db2.gz XBMVOWGLVMRCLA-GFCCVEGCSA-N 1 3 240.326 1.371 20 0 BDADHO CCCC[C@H](CC)C[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205939011 967890766 /nfs/dbraw/zinc/89/07/66/967890766.db2.gz MVWNVWSJOJVTLO-YNEHKIRRSA-N 1 3 228.380 1.597 20 0 BDADHO CCCC[C@H](CC)C[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205939011 967890771 /nfs/dbraw/zinc/89/07/71/967890771.db2.gz MVWNVWSJOJVTLO-YNEHKIRRSA-N 1 3 228.380 1.597 20 0 BDADHO Cc1c[nH]c(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC001206004184 967956339 /nfs/dbraw/zinc/95/63/39/967956339.db2.gz RALPPUSIXISPAO-PWSUYJOCSA-N 1 3 236.363 1.525 20 0 BDADHO Cc1c[nH]c(CN2CCC[C@H](C[NH3+])[C@H](C)C2)n1 ZINC001206004185 967958993 /nfs/dbraw/zinc/95/89/93/967958993.db2.gz RALPPUSIXISPAO-ZYHUDNBSSA-N 1 3 236.363 1.525 20 0 BDADHO Cc1cccc(CC[N@H+]2C[C@@H](C)[C@H](N)C2)c1 ZINC001206049495 968015048 /nfs/dbraw/zinc/01/50/48/968015048.db2.gz MTTMFNSWCCISOR-TZMCWYRMSA-N 1 3 218.344 1.817 20 0 BDADHO Cc1cccc(CC[N@@H+]2C[C@@H](C)[C@H](N)C2)c1 ZINC001206049495 968015052 /nfs/dbraw/zinc/01/50/52/968015052.db2.gz MTTMFNSWCCISOR-TZMCWYRMSA-N 1 3 218.344 1.817 20 0 BDADHO C[C@@H]1C[N@H+](Cc2cccc3c2ccn3C)C[C@H]1N ZINC001206058691 968030836 /nfs/dbraw/zinc/03/08/36/968030836.db2.gz OPQWBAVBNSOZMB-BXUZGUMPSA-N 1 3 243.354 1.957 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2cccc3c2ccn3C)C[C@H]1N ZINC001206058691 968030844 /nfs/dbraw/zinc/03/08/44/968030844.db2.gz OPQWBAVBNSOZMB-BXUZGUMPSA-N 1 3 243.354 1.957 20 0 BDADHO Cc1cnccc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206165780 968100998 /nfs/dbraw/zinc/10/09/98/968100998.db2.gz OTWFLEBDWBFWTE-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cnccc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206165780 968101006 /nfs/dbraw/zinc/10/10/06/968101006.db2.gz OTWFLEBDWBFWTE-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO COCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693661543 968153116 /nfs/dbraw/zinc/15/31/16/968153116.db2.gz CUBJQVKHIBAUDJ-GRYCIOLGSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNCC(C)(C)O)C1 ZINC001252365500 968644918 /nfs/dbraw/zinc/64/49/18/968644918.db2.gz WNTUVAOKEIFNMH-CHWSQXEVSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2CCC1CC1 ZINC001276514016 968687532 /nfs/dbraw/zinc/68/75/32/968687532.db2.gz UOERUWFSFWTPPY-OKILXGFUSA-N 1 3 237.391 1.107 20 0 BDADHO COC(=O)[C@H](C(C)C)N(C)CC1CC[NH2+]CC1 ZINC001207440669 968775363 /nfs/dbraw/zinc/77/53/63/968775363.db2.gz BNFCVHDRQHFISW-LBPRGKRZSA-N 1 3 242.363 1.115 20 0 BDADHO CCCN(CCC[NH+](C)C)C[C@H]1CCCO1 ZINC001207894696 968917640 /nfs/dbraw/zinc/91/76/40/968917640.db2.gz UKNXQSPPQLQSKH-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCC[C@@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001252789252 968967685 /nfs/dbraw/zinc/96/76/85/968967685.db2.gz OZFCNSDLDQFMOT-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@H+]1C[C@H]2CN(CCCn3cccn3)C[C@H]2C1 ZINC001208086116 968990658 /nfs/dbraw/zinc/99/06/58/968990658.db2.gz FOSWGNPBFVEQGQ-OKILXGFUSA-N 1 3 248.374 1.157 20 0 BDADHO CC[N@@H+]1C[C@H]2CN(CCCn3cccn3)C[C@H]2C1 ZINC001208086116 968990682 /nfs/dbraw/zinc/99/06/82/968990682.db2.gz FOSWGNPBFVEQGQ-OKILXGFUSA-N 1 3 248.374 1.157 20 0 BDADHO CN(C)C1CN(CC2(C[NH+](C)C)CCCC2)C1 ZINC001208184792 969119529 /nfs/dbraw/zinc/11/95/29/969119529.db2.gz PPSWBADUMBYNAD-UHFFFAOYSA-N 1 3 239.407 1.354 20 0 BDADHO CC[NH+]1CCC(CN2C[C@@H](C)OC[C@H]2C)CC1 ZINC001208601619 969158717 /nfs/dbraw/zinc/15/87/17/969158717.db2.gz OATBUKOJLKKLPI-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001253412242 969167102 /nfs/dbraw/zinc/16/71/02/969167102.db2.gz CUZPJQQKIOYSCL-LBPRGKRZSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1CC(C)(C)C1 ZINC001253412242 969167107 /nfs/dbraw/zinc/16/71/07/969167107.db2.gz CUZPJQQKIOYSCL-LBPRGKRZSA-N 1 3 242.407 1.761 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@]3(CCO3)C2)C1 ZINC001208613439 969168863 /nfs/dbraw/zinc/16/88/63/969168863.db2.gz UENYJDBIZUMZBF-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@H](CN2CCC[C@@]3(CCO3)C2)C1 ZINC001208613439 969168866 /nfs/dbraw/zinc/16/88/66/969168866.db2.gz UENYJDBIZUMZBF-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CC[C@@H]([NH3+])C2)n1 ZINC001156227138 969229012 /nfs/dbraw/zinc/22/90/12/969229012.db2.gz PSPYXZXNLDDFKB-SECBINFHSA-N 1 3 216.288 1.409 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@H](O)C(C)(C)C)CC2 ZINC001253730358 969352938 /nfs/dbraw/zinc/35/29/38/969352938.db2.gz SZCMOCPJLQDDFQ-LBPRGKRZSA-N 1 3 240.391 1.421 20 0 BDADHO COC[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078355 969395565 /nfs/dbraw/zinc/39/55/65/969395565.db2.gz DKTIHLPDDWBLLX-KKOKHZNYSA-N 1 3 212.337 1.236 20 0 BDADHO COC[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078355 969395574 /nfs/dbraw/zinc/39/55/74/969395574.db2.gz DKTIHLPDDWBLLX-KKOKHZNYSA-N 1 3 212.337 1.236 20 0 BDADHO COC[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078358 969395639 /nfs/dbraw/zinc/39/56/39/969395639.db2.gz DKTIHLPDDWBLLX-YFKTTZPYSA-N 1 3 212.337 1.236 20 0 BDADHO COC[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078358 969395649 /nfs/dbraw/zinc/39/56/49/969395649.db2.gz DKTIHLPDDWBLLX-YFKTTZPYSA-N 1 3 212.337 1.236 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccncc1)C2 ZINC001169080288 969402789 /nfs/dbraw/zinc/40/27/89/969402789.db2.gz MHLIXRSHBGDEJK-ZSOGYDGISA-N 1 3 231.343 1.796 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC(C3COC3)C1)C2 ZINC001169125770 969424880 /nfs/dbraw/zinc/42/48/80/969424880.db2.gz LABXZQLDTSIMMK-WDNDVIMCSA-N 1 3 236.359 1.190 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC(C3COC3)C1)C2 ZINC001169125770 969424885 /nfs/dbraw/zinc/42/48/85/969424885.db2.gz LABXZQLDTSIMMK-WDNDVIMCSA-N 1 3 236.359 1.190 20 0 BDADHO CCN1CCC([NH2+]C(C)(C)CCN(C)C)CC1 ZINC001169230091 969500752 /nfs/dbraw/zinc/50/07/52/969500752.db2.gz OZWDAUSWZGHRCZ-UHFFFAOYSA-N 1 3 241.423 1.791 20 0 BDADHO CN([C@@H]1CCOC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522048 969708751 /nfs/dbraw/zinc/70/87/51/969708751.db2.gz BCOUGOBFKZCYOA-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO CN([C@@H]1CCOC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522048 969708754 /nfs/dbraw/zinc/70/87/54/969708754.db2.gz BCOUGOBFKZCYOA-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530602 969725482 /nfs/dbraw/zinc/72/54/82/969725482.db2.gz ZIULRYXSJBBFGR-IHRRRGAJSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001254530602 969725488 /nfs/dbraw/zinc/72/54/88/969725488.db2.gz ZIULRYXSJBBFGR-IHRRRGAJSA-N 1 3 238.375 1.439 20 0 BDADHO C[C@@H]1C[N@H+](Cc2cncc([O-])c2)CCC[C@H]1C[NH3+] ZINC001206012764 969737657 /nfs/dbraw/zinc/73/76/57/969737657.db2.gz NPTUJSVRDKUWAF-YPMHNXCESA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2cncc([O-])c2)CCC[C@H]1C[NH3+] ZINC001206012764 969737662 /nfs/dbraw/zinc/73/76/62/969737662.db2.gz NPTUJSVRDKUWAF-YPMHNXCESA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H](N)c1ccn([C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254840593 969800549 /nfs/dbraw/zinc/80/05/49/969800549.db2.gz JXYBOPIYMKQBQQ-JQWIXIFHSA-N 1 3 234.347 1.560 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169921723 969887447 /nfs/dbraw/zinc/88/74/47/969887447.db2.gz ATRQRKPAPVUERE-VXGBXAGGSA-N 1 3 242.363 1.199 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169921723 969887446 /nfs/dbraw/zinc/88/74/46/969887446.db2.gz ATRQRKPAPVUERE-VXGBXAGGSA-N 1 3 242.363 1.199 20 0 BDADHO CN1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255415267 970134567 /nfs/dbraw/zinc/13/45/67/970134567.db2.gz GNTKNYGRHAJGGD-LLVKDONJSA-N 1 3 218.304 1.091 20 0 BDADHO C[N@@H+]1CC[C@@H](N2CCN(C3CCCC3)CC2)C1 ZINC001255435254 970161211 /nfs/dbraw/zinc/16/12/11/970161211.db2.gz CMFRDSSYOXIPPJ-CQSZACIVSA-N 1 3 237.391 1.251 20 0 BDADHO C[N@H+]1CC[C@@H](N2CCN(C3CCCC3)CC2)C1 ZINC001255435254 970161214 /nfs/dbraw/zinc/16/12/14/970161214.db2.gz CMFRDSSYOXIPPJ-CQSZACIVSA-N 1 3 237.391 1.251 20 0 BDADHO CC[C@@H](O)CN[C@@H](C)CC[NH+](CC)CC ZINC001255942153 970564663 /nfs/dbraw/zinc/56/46/63/970564663.db2.gz DUDRSRJMJCQSSJ-NWDGAFQWSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H](C)CCN(CC)CC ZINC001255942153 970564676 /nfs/dbraw/zinc/56/46/76/970564676.db2.gz DUDRSRJMJCQSSJ-NWDGAFQWSA-N 1 3 216.369 1.467 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@H](C)O ZINC001255940033 970572757 /nfs/dbraw/zinc/57/27/57/970572757.db2.gz LUNTWFFAGSAHKM-QWRGUYRKSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H](C)O ZINC001255940033 970572770 /nfs/dbraw/zinc/57/27/70/970572770.db2.gz LUNTWFFAGSAHKM-QWRGUYRKSA-N 1 3 202.342 1.077 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC1CC(O)C1 ZINC001255941583 970573181 /nfs/dbraw/zinc/57/31/81/970573181.db2.gz UJECYKACHROAJI-VOMCLLRMSA-N 1 3 214.353 1.220 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H](C)CO ZINC001255942268 970576433 /nfs/dbraw/zinc/57/64/33/970576433.db2.gz DXKUVHUAXIYTJV-VXGBXAGGSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@@](C)(O)C1 ZINC001255945347 970576581 /nfs/dbraw/zinc/57/65/81/970576581.db2.gz KLVFQKYWOUOZIF-RWMBFGLXSA-N 1 3 228.380 1.610 20 0 BDADHO C1CC1[NH+]1CCC(N2CC(N3CCCC3)C2)CC1 ZINC001256076076 970646954 /nfs/dbraw/zinc/64/69/54/970646954.db2.gz AXSKJAHFOPLDIU-UHFFFAOYSA-N 1 3 249.402 1.393 20 0 BDADHO CN(C1CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001256210300 970716415 /nfs/dbraw/zinc/71/64/15/970716415.db2.gz GTQASEQHYDQLEV-CQSZACIVSA-N 1 3 237.391 1.249 20 0 BDADHO CN(C1CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001256210300 970716421 /nfs/dbraw/zinc/71/64/21/970716421.db2.gz GTQASEQHYDQLEV-CQSZACIVSA-N 1 3 237.391 1.249 20 0 BDADHO Cc1ccc(CN2CCC(F)(C[NH3+])CC2)o1 ZINC001222532483 972556422 /nfs/dbraw/zinc/55/64/22/972556422.db2.gz MIAXUZLSFVSUKM-UHFFFAOYSA-N 1 3 226.295 1.851 20 0 BDADHO C[NH2+][C@@H](C)CCN[C@@H](COC)C(C)C ZINC001327840658 972755799 /nfs/dbraw/zinc/75/57/99/972755799.db2.gz RGDGBMPVSNYLKY-QWRGUYRKSA-N 1 3 202.342 1.245 20 0 BDADHO CC1(C)CCC[C@@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)C1 ZINC001246586966 972976319 /nfs/dbraw/zinc/97/63/19/972976319.db2.gz UWFWWDCRMNCIBR-TUAOUCFPSA-N 1 3 226.364 1.207 20 0 BDADHO CC1(C)CCC[C@@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)C1 ZINC001246586966 972976344 /nfs/dbraw/zinc/97/63/44/972976344.db2.gz UWFWWDCRMNCIBR-TUAOUCFPSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@H](Cc1ccco1)[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246850705 973148262 /nfs/dbraw/zinc/14/82/62/973148262.db2.gz DCCKKQVYEUCXND-NTZNESFSSA-N 1 3 220.316 1.634 20 0 BDADHO C[C@H](Cc1ccco1)[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246850705 973148267 /nfs/dbraw/zinc/14/82/67/973148267.db2.gz DCCKKQVYEUCXND-NTZNESFSSA-N 1 3 220.316 1.634 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CC[C@]3(N)C1)C2 ZINC001246854680 973167107 /nfs/dbraw/zinc/16/71/07/973167107.db2.gz QNXZIYBFVHBBJL-QNSTZXKLSA-N 1 3 235.375 1.035 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CC[C@]3(N)C1)C2 ZINC001246854680 973167118 /nfs/dbraw/zinc/16/71/18/973167118.db2.gz QNXZIYBFVHBBJL-QNSTZXKLSA-N 1 3 235.375 1.035 20 0 BDADHO NCc1cccc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001171335686 973879521 /nfs/dbraw/zinc/87/95/21/973879521.db2.gz QTTJZMOMDOWZJM-NSHDSACASA-N 1 3 220.320 1.094 20 0 BDADHO [NH3+]C1CC(N[C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171410722 974018471 /nfs/dbraw/zinc/01/84/71/974018471.db2.gz WYJDYJZSALPNGE-MOENNCHZSA-N 1 3 234.318 1.762 20 0 BDADHO NC1CC([NH2+][C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171410722 974018482 /nfs/dbraw/zinc/01/84/82/974018482.db2.gz WYJDYJZSALPNGE-MOENNCHZSA-N 1 3 234.318 1.762 20 0 BDADHO C[C@@H](O)CC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171625159 974121234 /nfs/dbraw/zinc/12/12/34/974121234.db2.gz DGBUSEMNTUKXAG-LLVKDONJSA-N 1 3 242.407 1.998 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(CN)c1)C2 ZINC001172099876 974347675 /nfs/dbraw/zinc/34/76/75/974347675.db2.gz NTEODASJHDDZML-CLLJXQQHSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cnc(CN)c1)C2 ZINC001172099876 974347677 /nfs/dbraw/zinc/34/76/77/974347677.db2.gz NTEODASJHDDZML-CLLJXQQHSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CC[C@H]3C1)C2 ZINC001172133623 974354194 /nfs/dbraw/zinc/35/41/94/974354194.db2.gz UAGREEMBGVHSPQ-XGUBFFRZSA-N 1 3 249.402 1.392 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CC[C@H]3C1)C2 ZINC001172133623 974354204 /nfs/dbraw/zinc/35/42/04/974354204.db2.gz UAGREEMBGVHSPQ-XGUBFFRZSA-N 1 3 249.402 1.392 20 0 BDADHO CN([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123973 974389639 /nfs/dbraw/zinc/38/96/39/974389639.db2.gz ICPZAIXQDJWIEH-XJFOESAGSA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@@H]1CCOC1)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123973 974389646 /nfs/dbraw/zinc/38/96/46/974389646.db2.gz ICPZAIXQDJWIEH-XJFOESAGSA-N 1 3 238.375 1.722 20 0 BDADHO CC(C)[N@H+](CCCN)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233409 974476344 /nfs/dbraw/zinc/47/63/44/974476344.db2.gz YDGBQPIYPJKFHN-YHWZYXNKSA-N 1 3 224.348 1.532 20 0 BDADHO CC(C)[N@@H+](CCCN)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233409 974476349 /nfs/dbraw/zinc/47/63/49/974476349.db2.gz YDGBQPIYPJKFHN-YHWZYXNKSA-N 1 3 224.348 1.532 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330957527 974541655 /nfs/dbraw/zinc/54/16/55/974541655.db2.gz OHPGKRPFNWQZNI-MNOVXSKESA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC(N)C1 ZINC001172346373 974615607 /nfs/dbraw/zinc/61/56/07/974615607.db2.gz ZLNPAKANVIFXSE-DMOGRIERSA-N 1 3 214.353 1.659 20 0 BDADHO CC[C@@H](C)OCC[C@H](C)NC1CC([NH3+])C1 ZINC001172346373 974615608 /nfs/dbraw/zinc/61/56/08/974615608.db2.gz ZLNPAKANVIFXSE-DMOGRIERSA-N 1 3 214.353 1.659 20 0 BDADHO Cc1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)[nH]1 ZINC001206164168 974633462 /nfs/dbraw/zinc/63/34/62/974633462.db2.gz JHTQULWHKBUDCZ-NEPJUHHUSA-N 1 3 225.311 1.584 20 0 BDADHO Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)[nH]1 ZINC001206164168 974633468 /nfs/dbraw/zinc/63/34/68/974633468.db2.gz JHTQULWHKBUDCZ-NEPJUHHUSA-N 1 3 225.311 1.584 20 0 BDADHO CCOCC[C@@H](C)N1CCC([NH+]2CCC2)CC1 ZINC001172430929 974713675 /nfs/dbraw/zinc/71/36/75/974713675.db2.gz KGFSFYGRCDKIKC-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](Oc2ccnc(N)c2)C1 ZINC001226655467 975002677 /nfs/dbraw/zinc/00/26/77/975002677.db2.gz HGFCSGWSZHDTEA-LLVKDONJSA-N 1 3 221.304 1.525 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](Oc2ccnc(N)c2)C1 ZINC001226655467 975002681 /nfs/dbraw/zinc/00/26/81/975002681.db2.gz HGFCSGWSZHDTEA-LLVKDONJSA-N 1 3 221.304 1.525 20 0 BDADHO C[C@]1(CN2CC[C@@H]3OCCC[C@H]3C2)CC[NH2+]C1 ZINC001332338367 975061641 /nfs/dbraw/zinc/06/16/41/975061641.db2.gz CURGSCINSVJWIA-IHRRRGAJSA-N 1 3 238.375 1.487 20 0 BDADHO CC(C)N(C)CC(=O)NCc1ccccc1C[NH3+] ZINC001332507729 975181622 /nfs/dbraw/zinc/18/16/22/975181622.db2.gz RPVRXDCQJJLYRG-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO COC(=O)CCCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001173446499 975389033 /nfs/dbraw/zinc/38/90/33/975389033.db2.gz WDIZMMFUBVTFDQ-GHMZBOCLSA-N 1 3 230.352 1.293 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC001335935885 977374974 /nfs/dbraw/zinc/37/49/74/977374974.db2.gz YPFVPZVVYZAFSN-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC001335935881 977375006 /nfs/dbraw/zinc/37/50/06/977375006.db2.gz YPFVPZVVYZAFSN-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001336660491 977835928 /nfs/dbraw/zinc/83/59/28/977835928.db2.gz QNXZBDSDMMUQEW-CYBMUJFWSA-N 1 3 249.358 1.135 20 0 BDADHO CCN(CC[NH+](C)C)Cc1cc2c[nH]ccc-2n1 ZINC001232012197 977838886 /nfs/dbraw/zinc/83/88/86/977838886.db2.gz VNFRDMAABYEIBA-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO c1c[nH]c(Nc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC001176081940 977875798 /nfs/dbraw/zinc/87/57/98/977875798.db2.gz LKCJQFFJROALAN-UHFFFAOYSA-N 1 3 245.286 1.385 20 0 BDADHO c1c[nH]c(Nc2c[nH+]ccc2N2CCOCC2)n1 ZINC001176082688 977882516 /nfs/dbraw/zinc/88/25/16/977882516.db2.gz RVRMEMOPMTYPLP-UHFFFAOYSA-N 1 3 245.286 1.385 20 0 BDADHO C[C@H]([C@H](C)O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281683 978007423 /nfs/dbraw/zinc/00/74/23/978007423.db2.gz ONYITLPOOFENAP-UPJWGTAASA-N 1 3 249.358 1.361 20 0 BDADHO [NH3+]C1CC(NCCc2ccc(F)cc2F)C1 ZINC001337887503 978550661 /nfs/dbraw/zinc/55/06/61/978550661.db2.gz YQSMLHXLIQHBDT-UHFFFAOYSA-N 1 3 226.270 1.587 20 0 BDADHO [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCCOC2)C1 ZINC001206337321 978602250 /nfs/dbraw/zinc/60/22/50/978602250.db2.gz SYGFTWYRBFFCPC-STQMWFEESA-N 1 3 244.354 1.566 20 0 BDADHO Cc1ccc(CNCC[C@H]2CCC[N@H+](C)C2)nn1 ZINC001178916950 978644404 /nfs/dbraw/zinc/64/44/04/978644404.db2.gz RXKUKXCQFYEIBA-CYBMUJFWSA-N 1 3 248.374 1.607 20 0 BDADHO Cc1ccc(CNCC[C@H]2CCC[N@@H+](C)C2)nn1 ZINC001178916950 978644399 /nfs/dbraw/zinc/64/43/99/978644399.db2.gz RXKUKXCQFYEIBA-CYBMUJFWSA-N 1 3 248.374 1.607 20 0 BDADHO CC[C@H](C)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001277807024 978696237 /nfs/dbraw/zinc/69/62/37/978696237.db2.gz KFSJFSJRSQERHH-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO O[C@H]1CCC[C@@H]1N1CCN(c2cc[nH+]cc2)CC1 ZINC001339450806 978853177 /nfs/dbraw/zinc/85/31/77/978853177.db2.gz LSLKVFAQAQPQFK-KBPBESRZSA-N 1 3 247.342 1.117 20 0 BDADHO C[C@@H](N)C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088693 978974926 /nfs/dbraw/zinc/97/49/26/978974926.db2.gz KQECVAUKFDBDEA-HLTSFMKQSA-N 1 3 204.264 1.311 20 0 BDADHO CCC[C@H](C)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052936 978963104 /nfs/dbraw/zinc/96/31/04/978963104.db2.gz GXWNHYMCXGNJIR-STQMWFEESA-N 1 3 225.380 1.060 20 0 BDADHO [NH3+][C@H]1C[C@H](F)CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001206437477 978969546 /nfs/dbraw/zinc/96/95/46/978969546.db2.gz WCUARTLVPUKJIW-QWRGUYRKSA-N 1 3 248.305 1.434 20 0 BDADHO [NH3+][C@H]1C[C@H](F)CN(Cc2cc3cnccc3[nH]2)C1 ZINC001206437477 978969549 /nfs/dbraw/zinc/96/95/49/978969549.db2.gz WCUARTLVPUKJIW-QWRGUYRKSA-N 1 3 248.305 1.434 20 0 BDADHO C[C@@H](N)C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088693 978974919 /nfs/dbraw/zinc/97/49/19/978974919.db2.gz KQECVAUKFDBDEA-HLTSFMKQSA-N 1 3 204.264 1.311 20 0 BDADHO C[C@H](N)C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221811 978998428 /nfs/dbraw/zinc/99/84/28/978998428.db2.gz FGGWXOSBIFEKHG-YIZRAAEISA-N 1 3 204.264 1.311 20 0 BDADHO C[C@H](N)C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235221811 978998437 /nfs/dbraw/zinc/99/84/37/978998437.db2.gz FGGWXOSBIFEKHG-YIZRAAEISA-N 1 3 204.264 1.311 20 0 BDADHO CO[C@H](C)CNCC(C)(C)C[NH+]1CCCC1 ZINC001181426738 979084191 /nfs/dbraw/zinc/08/41/91/979084191.db2.gz COHFQUYKBGOWFC-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO CO[C@H](C)C[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426738 979084200 /nfs/dbraw/zinc/08/42/00/979084200.db2.gz COHFQUYKBGOWFC-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCO ZINC001235973950 979242215 /nfs/dbraw/zinc/24/22/15/979242215.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1CCO ZINC001235973950 979242223 /nfs/dbraw/zinc/24/22/23/979242223.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCO ZINC001235973950 979242233 /nfs/dbraw/zinc/24/22/33/979242233.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCO ZINC001235973950 979242242 /nfs/dbraw/zinc/24/22/42/979242242.db2.gz QITPYDRMDQSLPL-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)cc1 ZINC001235980594 979250195 /nfs/dbraw/zinc/25/01/95/979250195.db2.gz RDYMSRHPJFTMTP-DZGCQCFKSA-N 1 3 246.354 1.661 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@@H]3CC[C@@]3(N)C2)cc1 ZINC001235980594 979250207 /nfs/dbraw/zinc/25/02/07/979250207.db2.gz RDYMSRHPJFTMTP-DZGCQCFKSA-N 1 3 246.354 1.661 20 0 BDADHO CC/C=C\CCCCC[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206512912 979534188 /nfs/dbraw/zinc/53/41/88/979534188.db2.gz VYKBKDVGXDVYPI-NMEQGOOXSA-N 1 3 240.391 1.764 20 0 BDADHO CC/C=C\CCCCC[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206512912 979534195 /nfs/dbraw/zinc/53/41/95/979534195.db2.gz VYKBKDVGXDVYPI-NMEQGOOXSA-N 1 3 240.391 1.764 20 0 BDADHO C[C@H](N)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001342259336 979740160 /nfs/dbraw/zinc/74/01/60/979740160.db2.gz LXBKUZCIQHHWSW-QMMMGPOBSA-N 1 3 221.304 1.166 20 0 BDADHO CCN1C[C@@H]2C[NH+](Cc3cccc(N)c3)C[C@H]2C1 ZINC001237222697 979853604 /nfs/dbraw/zinc/85/36/04/979853604.db2.gz GPYCOTXFIDALNM-ZIAGYGMSSA-N 1 3 245.370 1.652 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(C(F)F)C3)[C@H]2C1 ZINC001184389161 980063748 /nfs/dbraw/zinc/06/37/48/980063748.db2.gz VIHOCNCPJBEKFK-RFAQPDLFSA-N 1 3 244.329 1.960 20 0 BDADHO CN1CC2(C1)CC[NH+](CCCn1cccc1)CC2 ZINC001278189989 980160185 /nfs/dbraw/zinc/16/01/85/980160185.db2.gz YRABPBGIQDEUCB-UHFFFAOYSA-N 1 3 247.386 1.906 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100335 980547580 /nfs/dbraw/zinc/54/75/80/980547580.db2.gz PHBDTKFJXFRRPL-RBKKPWLPSA-N 1 3 240.391 1.453 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100335 980547585 /nfs/dbraw/zinc/54/75/85/980547585.db2.gz PHBDTKFJXFRRPL-RBKKPWLPSA-N 1 3 240.391 1.453 20 0 BDADHO [NH3+]Cc1cncc(-c2ccc3c(n2)CNCC3)c1 ZINC001239792345 980932253 /nfs/dbraw/zinc/93/22/53/980932253.db2.gz WIOUDWNPVYPIFF-UHFFFAOYSA-N 1 3 240.310 1.248 20 0 BDADHO c1nc2c(cc1C1=CCC[NH2+]C1)CNCC2 ZINC001240664287 981572906 /nfs/dbraw/zinc/57/29/06/981572906.db2.gz HEXQVWKFMFBQQN-UHFFFAOYSA-N 1 3 215.300 1.104 20 0 BDADHO O[C@H]1C[NH2+]CC[C@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001580879765 981676019 /nfs/dbraw/zinc/67/60/19/981676019.db2.gz FBHHYIIDJCXKFL-XQLPTFJDSA-N 1 3 246.354 1.103 20 0 BDADHO OC[C@@H]([NH2+]CC12CC(C1)CN2)C1CCCCC1 ZINC001580881850 981679452 /nfs/dbraw/zinc/67/94/52/981679452.db2.gz LYAZHXCCSAZTDD-HRDQMINSSA-N 1 3 238.375 1.269 20 0 BDADHO OC[C@]1(NC[C@@H]2CC[C@H]3C[C@H]3C2)CCC[NH2+]C1 ZINC001580882483 981684686 /nfs/dbraw/zinc/68/46/86/981684686.db2.gz RRFNIPISWRGYBE-RQJABVFESA-N 1 3 238.375 1.127 20 0 BDADHO c1ccc([C@H]2CCN2CCN2CC[NH2+]CC2)cc1 ZINC001580892653 981722986 /nfs/dbraw/zinc/72/29/86/981722986.db2.gz AZNHFPXJRPPUDM-OAHLLOKOSA-N 1 3 245.370 1.339 20 0 BDADHO Cc1cccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c1 ZINC001205662938 981769094 /nfs/dbraw/zinc/76/90/94/981769094.db2.gz FZOWBJRQZDUROU-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1cccc(C[N@H+]2CCCC[C@](O)(CN)C2)c1 ZINC001205662938 981769120 /nfs/dbraw/zinc/76/91/20/981769120.db2.gz FZOWBJRQZDUROU-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1cccc(CN2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205662938 981769145 /nfs/dbraw/zinc/76/91/45/981769145.db2.gz FZOWBJRQZDUROU-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO OCc1cnccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001351950553 982413849 /nfs/dbraw/zinc/41/38/49/982413849.db2.gz PXIDVAWNEGGDQF-CHWSQXEVSA-N 1 3 247.342 1.035 20 0 BDADHO OCc1cnccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001351950553 982413853 /nfs/dbraw/zinc/41/38/53/982413853.db2.gz PXIDVAWNEGGDQF-CHWSQXEVSA-N 1 3 247.342 1.035 20 0 BDADHO COCCOC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC001352010953 982434051 /nfs/dbraw/zinc/43/40/51/982434051.db2.gz DYIFLLFPOUSNCY-CYBMUJFWSA-N 1 3 244.379 1.113 20 0 BDADHO COCCOC[C@@H](C)NCCC[NH+]1CCCC1 ZINC001352010953 982434058 /nfs/dbraw/zinc/43/40/58/982434058.db2.gz DYIFLLFPOUSNCY-CYBMUJFWSA-N 1 3 244.379 1.113 20 0 BDADHO CN1CC=C(c2cc(C[NH3+])ccn2)CC1 ZINC001241309024 982448347 /nfs/dbraw/zinc/44/83/47/982448347.db2.gz YJJOGSBNRDGLLJ-UHFFFAOYSA-N 1 3 203.289 1.259 20 0 BDADHO [NH3+]Cc1ccc(-c2ncc3c(n2)CNCC3)cc1 ZINC001241911933 983127874 /nfs/dbraw/zinc/12/78/74/983127874.db2.gz ULLWISQKZCXPJV-UHFFFAOYSA-N 1 3 240.310 1.248 20 0 BDADHO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(N)n1 ZINC001354132220 983168068 /nfs/dbraw/zinc/16/80/68/983168068.db2.gz VRMCGAPWQMBMJN-GZMMTYOYSA-N 1 3 247.346 1.262 20 0 BDADHO Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(N)n1 ZINC001354132220 983168074 /nfs/dbraw/zinc/16/80/74/983168074.db2.gz VRMCGAPWQMBMJN-GZMMTYOYSA-N 1 3 247.346 1.262 20 0 BDADHO CCC(CC)C[NH+]1CCN(CCN(C)C)CC1 ZINC001201521569 983320777 /nfs/dbraw/zinc/32/07/77/983320777.db2.gz UWRICAPNOCQTBL-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457355 983718297 /nfs/dbraw/zinc/71/82/97/983718297.db2.gz IBBOCEZJWVVHBS-GHMZBOCLSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454412 983718608 /nfs/dbraw/zinc/71/86/08/983718608.db2.gz VJLNWFMMCDDQST-ZWNOBZJWSA-N 1 3 249.358 1.847 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005048 983812692 /nfs/dbraw/zinc/81/26/92/983812692.db2.gz UPBDZZKTECLAOT-DDHJBXDOSA-N 1 3 241.379 1.136 20 0 BDADHO Nc1ccnc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242672567 984037602 /nfs/dbraw/zinc/03/76/02/984037602.db2.gz YDANFCBZMCWABI-UHFFFAOYSA-N 1 3 211.268 1.934 20 0 BDADHO CCCC[C@H](COC)N[C@H]1C[C@H]([NH3+])C1 ZINC001577400926 984195895 /nfs/dbraw/zinc/19/58/95/984195895.db2.gz PJUPVGKDRPPULV-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC001578160940 984207225 /nfs/dbraw/zinc/20/72/25/984207225.db2.gz FNANBYCACSMNCR-XWLWVQCSSA-N 1 3 212.337 1.269 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622161 984215311 /nfs/dbraw/zinc/21/53/11/984215311.db2.gz PMBLOBKIJBYWDS-AAEUAGOBSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001578622161 984215320 /nfs/dbraw/zinc/21/53/20/984215320.db2.gz PMBLOBKIJBYWDS-AAEUAGOBSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](C)C(C)(C)C1 ZINC001578622161 984215325 /nfs/dbraw/zinc/21/53/25/984215325.db2.gz PMBLOBKIJBYWDS-AAEUAGOBSA-N 1 3 228.380 1.325 20 0 BDADHO NCC1(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC001580243395 984472406 /nfs/dbraw/zinc/47/24/06/984472406.db2.gz FHDZRXUIGGBJMU-STQMWFEESA-N 1 3 238.375 1.112 20 0 BDADHO CCOC(=O)C[C@](C)(NC[C@H](C)[NH3+])C(C)C ZINC001577939317 984822990 /nfs/dbraw/zinc/82/29/90/984822990.db2.gz CVMOUDUGIYRXSP-JQWIXIFHSA-N 1 3 230.352 1.291 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093079 984845212 /nfs/dbraw/zinc/84/52/12/984845212.db2.gz FIHDSEVWTGLEAT-ZDEQEGDKSA-N 1 3 238.375 1.804 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)C12CCCC2 ZINC001578093079 984845214 /nfs/dbraw/zinc/84/52/14/984845214.db2.gz FIHDSEVWTGLEAT-ZDEQEGDKSA-N 1 3 238.375 1.804 20 0 BDADHO CC(=O)OCC[NH2+]C1CCN(C(C)C)CC1 ZINC001257213291 984853453 /nfs/dbraw/zinc/85/34/53/984853453.db2.gz JNXSQHHKWUCEFW-UHFFFAOYSA-N 1 3 228.336 1.012 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@H]2[NH3+])c1 ZINC001578421443 985053271 /nfs/dbraw/zinc/05/32/71/985053271.db2.gz QOPZZOPUXKVDHN-NWDGAFQWSA-N 1 3 233.315 1.034 20 0 BDADHO CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578445668 985074750 /nfs/dbraw/zinc/07/47/50/985074750.db2.gz SCYAIONXHBTXQN-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO CN(C[C@@H]1CCC[C@H]1O)CC1(C[NH3+])CCC1 ZINC001578451305 985082502 /nfs/dbraw/zinc/08/25/02/985082502.db2.gz GPMMKSHZSQPADT-NWDGAFQWSA-N 1 3 226.364 1.208 20 0 BDADHO CNC[C@H](O)C[NH2+][C@@H](C)C1CCCCCC1 ZINC001578654268 985273450 /nfs/dbraw/zinc/27/34/50/985273450.db2.gz LQQPSQAXBGGZSE-AAEUAGOBSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1COC[C@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000688022581 985490256 /nfs/dbraw/zinc/49/02/56/985490256.db2.gz FIUQOVGXWBNFOW-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000688022581 985490303 /nfs/dbraw/zinc/49/03/03/985490303.db2.gz FIUQOVGXWBNFOW-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000688022581 985490320 /nfs/dbraw/zinc/49/03/20/985490320.db2.gz FIUQOVGXWBNFOW-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1COC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000688047459 985521961 /nfs/dbraw/zinc/52/19/61/985521961.db2.gz ZWTZTLIKUWCPOE-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1COC[C@H]1NCCC[NH+]1CCCCC1 ZINC000688047454 985522347 /nfs/dbraw/zinc/52/23/47/985522347.db2.gz ZWTZTLIKUWCPOE-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO COC1(CCN2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578927367 985531000 /nfs/dbraw/zinc/53/10/00/985531000.db2.gz WLGKMBLFPBHXOW-JSGCOSHPSA-N 1 3 238.375 1.759 20 0 BDADHO COCC[C@@H](C)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001578995671 985628930 /nfs/dbraw/zinc/62/89/30/985628930.db2.gz UCUTUMPUKXWDCY-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO CSCC[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001579374954 985866224 /nfs/dbraw/zinc/86/62/24/985866224.db2.gz ZVIXDOYDHIEZOT-RYUDHWBXSA-N 1 3 228.405 1.800 20 0 BDADHO CSCC[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001579374954 985866232 /nfs/dbraw/zinc/86/62/32/985866232.db2.gz ZVIXDOYDHIEZOT-RYUDHWBXSA-N 1 3 228.405 1.800 20 0 BDADHO C[C@H]1NCC[C@@H]1[NH2+]CC1CCSCC1 ZINC001579505307 986048287 /nfs/dbraw/zinc/04/82/87/986048287.db2.gz UXMXTVUJPISBDZ-KOLCDFICSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H]1[C@@H](O)CCCN1C[C@H]1CCCC[NH2+]C1 ZINC001579506158 986048400 /nfs/dbraw/zinc/04/84/00/986048400.db2.gz CVYBCHVAHNSZCQ-AVGNSLFASA-N 1 3 226.364 1.221 20 0 BDADHO Cc1ccc(C[C@H](C)NC[C@]2(O)CC[NH2+]C2)cc1 ZINC001579684737 986172430 /nfs/dbraw/zinc/17/24/30/986172430.db2.gz QVSKFKBDVYEDMW-ZFWWWQNUSA-N 1 3 248.370 1.240 20 0 BDADHO Cc1ccncc1CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001579814844 986236782 /nfs/dbraw/zinc/23/67/82/986236782.db2.gz PYHWQJPEYDJDRL-OLZOCXBDSA-N 1 3 233.359 1.648 20 0 BDADHO Cc1ccncc1CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001579814843 986237215 /nfs/dbraw/zinc/23/72/15/986237215.db2.gz PYHWQJPEYDJDRL-CHWSQXEVSA-N 1 3 233.359 1.648 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccnc1N ZINC001462203702 986305727 /nfs/dbraw/zinc/30/57/27/986305727.db2.gz QZNMHGSXYIKHIE-YPMHNXCESA-N 1 3 248.374 1.436 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccnc1N ZINC001462203702 986305739 /nfs/dbraw/zinc/30/57/39/986305739.db2.gz QZNMHGSXYIKHIE-YPMHNXCESA-N 1 3 248.374 1.436 20 0 BDADHO C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001462671041 986495396 /nfs/dbraw/zinc/49/53/96/986495396.db2.gz QHUVCKWZPVOITE-ZMJPVWNMSA-N 1 3 249.358 1.535 20 0 BDADHO CSC1(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)CC1 ZINC001462663613 986498759 /nfs/dbraw/zinc/49/87/59/986498759.db2.gz FJLVMZACWACTNW-QJPTWQEYSA-N 1 3 240.416 1.812 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163435 986637654 /nfs/dbraw/zinc/63/76/54/986637654.db2.gz AYOMFNWNVGDVMH-MTVMDMGHSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163435 986637661 /nfs/dbraw/zinc/63/76/61/986637661.db2.gz AYOMFNWNVGDVMH-MTVMDMGHSA-N 1 3 222.332 1.166 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@H](F)C2)CC1 ZINC001254515860 986662122 /nfs/dbraw/zinc/66/21/22/986662122.db2.gz FJRFOTXMKSEJHV-QWRGUYRKSA-N 1 3 200.301 1.515 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@H](F)C2)CC1 ZINC001254515860 986662146 /nfs/dbraw/zinc/66/21/46/986662146.db2.gz FJRFOTXMKSEJHV-QWRGUYRKSA-N 1 3 200.301 1.515 20 0 BDADHO [NH3+]C[C@@H](NC[C@H](O)CCc1ccccc1)C1CC1 ZINC001580229912 986679813 /nfs/dbraw/zinc/67/98/13/986679813.db2.gz WQMORIMBQBEPCT-HUUCEWRRSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@]12C[N@H+](CC3(O)CCC3)C[C@H]1CCCC2 ZINC001580256240 986707723 /nfs/dbraw/zinc/70/77/23/986707723.db2.gz RUBJXMIZFPVOGP-CHWSQXEVSA-N 1 3 238.375 1.352 20 0 BDADHO NC[C@]12C[N@@H+](CC3(O)CCC3)C[C@H]1CCCC2 ZINC001580256240 986707731 /nfs/dbraw/zinc/70/77/31/986707731.db2.gz RUBJXMIZFPVOGP-CHWSQXEVSA-N 1 3 238.375 1.352 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCc2ccc3nc[nH]c3c2)C1 ZINC001580423020 986841424 /nfs/dbraw/zinc/84/14/24/986841424.db2.gz MCTOVVMRLLXQTQ-AOOOYVTPSA-N 1 3 216.288 1.142 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC001580423122 986842026 /nfs/dbraw/zinc/84/20/26/986842026.db2.gz PTAMOPHWWJEIPX-UPJWGTAASA-N 1 3 231.343 1.408 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CC2CCSCC2)C1 ZINC001580429923 986848581 /nfs/dbraw/zinc/84/85/81/986848581.db2.gz BMIZPFUXOSGWLO-MGCOHNPYSA-N 1 3 200.351 1.209 20 0 BDADHO NCc1ccc(-c2ccncc2C[NH3+])cn1 ZINC001245560214 986904973 /nfs/dbraw/zinc/90/49/73/986904973.db2.gz PBOURTXWRHTNKS-UHFFFAOYSA-N 1 3 214.272 1.061 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@]1(C)CCOC1 ZINC000397403405 986996344 /nfs/dbraw/zinc/99/63/44/986996344.db2.gz UZAWWJCEMGGQOM-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)([NH3+])c1ccc(-c2cc(CN)ncn2)cc1 ZINC001245908704 987136735 /nfs/dbraw/zinc/13/67/35/987136735.db2.gz SWGQFESJXRFRAN-UHFFFAOYSA-N 1 3 242.326 1.796 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001245999631 987275745 /nfs/dbraw/zinc/27/57/45/987275745.db2.gz BGEMCXJPSULUQZ-NWDGAFQWSA-N 1 3 226.295 1.186 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@H](O)c1ccccc1 ZINC001246001829 987288411 /nfs/dbraw/zinc/28/84/11/987288411.db2.gz ORTBZSQQSRXCPX-RYUDHWBXSA-N 1 3 208.305 1.047 20 0 BDADHO CC1(C)[C@H]([NH2+]CCCCO)[C@@H]2CCCN[C@@H]21 ZINC000693768167 987315721 /nfs/dbraw/zinc/31/57/21/987315721.db2.gz YMXBDQBFOGWLLG-TUAOUCFPSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[C@H](NC2(C)CCOCC2)C[NH2+]1 ZINC001246080090 987373244 /nfs/dbraw/zinc/37/32/44/987373244.db2.gz DRHNUXINOKGUHE-MNOVXSKESA-N 1 3 212.337 1.286 20 0 BDADHO CCCC(CCC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246081900 987378701 /nfs/dbraw/zinc/37/87/01/987378701.db2.gz JWOYGUYNCCWXTF-QWHCGFSZSA-N 1 3 246.370 1.607 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCNC[C@@H]2F)CC1 ZINC001246087461 987383735 /nfs/dbraw/zinc/38/37/35/987383735.db2.gz OINRTHCZVJIKII-QWHCGFSZSA-N 1 3 243.370 1.150 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCNC[C@@H]2F)CC1 ZINC001246087465 987385607 /nfs/dbraw/zinc/38/56/07/987385607.db2.gz OINRTHCZVJIKII-STQMWFEESA-N 1 3 243.370 1.150 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2(C)CCOCC2)CCN1 ZINC001246088272 987389387 /nfs/dbraw/zinc/38/93/87/987389387.db2.gz SPUUQGMZBAXMQM-WDEREUQCSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2(C)CCOCC2)CCN1 ZINC001246088225 987391419 /nfs/dbraw/zinc/39/14/19/987391419.db2.gz SPUUQGMZBAXMQM-GHMZBOCLSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC001246089959 987393898 /nfs/dbraw/zinc/39/38/98/987393898.db2.gz IEGSGNZHRIRSFQ-YVECIDJPSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]1CC[C@@H](NC[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090969 987398608 /nfs/dbraw/zinc/39/86/08/987398608.db2.gz CHFVDHNADLMSLW-NNYUYHANSA-N 1 3 214.328 1.855 20 0 BDADHO CC(C)COCC[C@H](C)N[C@H]1CC[NH2+]C[C@H]1F ZINC001246096825 987407242 /nfs/dbraw/zinc/40/72/42/987407242.db2.gz MWGLYBDRFOKHJZ-XQQFMLRXSA-N 1 3 246.370 1.727 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246102932 987426484 /nfs/dbraw/zinc/42/64/84/987426484.db2.gz UHCMVHZKZVOGRJ-LNFKQOIKSA-N 1 3 200.301 1.607 20 0 BDADHO CSCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246102529 987428403 /nfs/dbraw/zinc/42/84/03/987428403.db2.gz QAFAKHHFSJZGMX-GMTAPVOTSA-N 1 3 216.394 1.716 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246129604 987478419 /nfs/dbraw/zinc/47/84/19/987478419.db2.gz GFHAUDMMXKBOFW-UTUOFQBUSA-N 1 3 224.348 1.286 20 0 BDADHO CCCC[C@H](CCC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135934 987494589 /nfs/dbraw/zinc/49/45/89/987494589.db2.gz SSRXLSSHLIYNLR-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO CCCC[C@H](CC)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246147832 987504918 /nfs/dbraw/zinc/50/49/18/987504918.db2.gz KFACWCQGUZWIBY-RFQIPJPRSA-N 1 3 240.391 1.779 20 0 BDADHO CCOC(CCC[NH2+]C1CCNCC1)OCC ZINC001246166582 987527080 /nfs/dbraw/zinc/52/70/80/987527080.db2.gz WCUZEWSICZRLGN-UHFFFAOYSA-N 1 3 244.379 1.507 20 0 BDADHO CCOC(=O)C[C@@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246194029 987587371 /nfs/dbraw/zinc/58/73/71/987587371.db2.gz QBTJGLFBYJZIPI-MXWKQRLJSA-N 1 3 228.336 1.058 20 0 BDADHO COCC1(N[C@@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246196508 987592131 /nfs/dbraw/zinc/59/21/31/987592131.db2.gz SXWSAZXVQCKJRN-GHMZBOCLSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@@H](NCC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197204 987592680 /nfs/dbraw/zinc/59/26/80/987592680.db2.gz ZJCIKRYAXOSANI-NEPJUHHUSA-N 1 3 248.374 1.484 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246206332 987604217 /nfs/dbraw/zinc/60/42/17/987604217.db2.gz ZNZJKGBEMFYDMU-MLGHIDQZSA-N 1 3 236.359 1.604 20 0 BDADHO C[C@@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246236140 987635110 /nfs/dbraw/zinc/63/51/10/987635110.db2.gz JYSIHPBMWOYUAJ-ACJTYDJDSA-N 1 3 246.358 1.280 20 0 BDADHO C[C@H](N)c1ccn([C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249340 987650098 /nfs/dbraw/zinc/65/00/98/987650098.db2.gz OKWJOQQFGZOXOP-UTLUCORTSA-N 1 3 208.309 1.216 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283020 987678634 /nfs/dbraw/zinc/67/86/34/987678634.db2.gz YDLHFUPTYDIEFY-WYUUTHIRSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC001246283020 987678638 /nfs/dbraw/zinc/67/86/38/987678638.db2.gz YDLHFUPTYDIEFY-WYUUTHIRSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CCN1 ZINC001246299086 987693335 /nfs/dbraw/zinc/69/33/35/987693335.db2.gz FCBQAJQZLDWGSW-MNOVXSKESA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CNC[C@H]2CO)CC(C)(C)C1 ZINC001246304071 987700555 /nfs/dbraw/zinc/70/05/55/987700555.db2.gz GSBYPXQEGNUHOA-VOAKCMCISA-N 1 3 240.391 1.371 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H](NCC[C@H](C)[NH3+])C1 ZINC001246305129 987705008 /nfs/dbraw/zinc/70/50/08/987705008.db2.gz NNOCJSHJGLGDGF-QJPTWQEYSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@H](N)CC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246306673 987705113 /nfs/dbraw/zinc/70/51/13/987705113.db2.gz RRIQSCUCXXIICP-IVZWLZJFSA-N 1 3 210.321 1.071 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H](NC[C@H]([NH3+])CC)C1 ZINC001246320107 987723795 /nfs/dbraw/zinc/72/37/95/987723795.db2.gz XSDXGHHZRJXBNA-IJLUTSLNSA-N 1 3 242.363 1.435 20 0 BDADHO COC[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC001246389685 987778590 /nfs/dbraw/zinc/77/85/90/987778590.db2.gz MUMFYMRAJUCTGJ-ADEWGFFLSA-N 1 3 212.337 1.142 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC1 ZINC001246389685 987778596 /nfs/dbraw/zinc/77/85/96/987778596.db2.gz MUMFYMRAJUCTGJ-ADEWGFFLSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(N)c2)CCN1 ZINC001246465791 987825827 /nfs/dbraw/zinc/82/58/27/987825827.db2.gz LWKRNMVQCRFXIS-RISCZKNCSA-N 1 3 233.359 1.541 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCN[C@@H](C)C1)C(C)C ZINC001246468529 987826229 /nfs/dbraw/zinc/82/62/29/987826229.db2.gz YOZMGIPTIBMQMM-SDDRHHMPSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@@H](N[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC001246468529 987826235 /nfs/dbraw/zinc/82/62/35/987826235.db2.gz YOZMGIPTIBMQMM-SDDRHHMPSA-N 1 3 214.353 1.388 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC001246500059 987852868 /nfs/dbraw/zinc/85/28/68/987852868.db2.gz NYDDPDBFCYJZRD-NDBYEHHHSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1[C@H]1CCCN(C)CC1 ZINC001246537794 987898027 /nfs/dbraw/zinc/89/80/27/987898027.db2.gz LFSXLHLKFONYIC-AVGNSLFASA-N 1 3 225.380 1.282 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1[C@H]1CCCN(C)CC1 ZINC001246537794 987898030 /nfs/dbraw/zinc/89/80/30/987898030.db2.gz LFSXLHLKFONYIC-AVGNSLFASA-N 1 3 225.380 1.282 20 0 BDADHO CSCC[C@@H](C)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246544879 987917949 /nfs/dbraw/zinc/91/79/49/987917949.db2.gz HUOAGUZGCKBSCZ-GHMZBOCLSA-N 1 3 216.394 1.941 20 0 BDADHO CSCC[C@@H](C)[N@H+]1CCC[C@@H](N)CC1 ZINC001246544879 987917955 /nfs/dbraw/zinc/91/79/55/987917955.db2.gz HUOAGUZGCKBSCZ-GHMZBOCLSA-N 1 3 216.394 1.941 20 0 BDADHO C[C@H](Cc1cccnc1)N1CCC[C@@H]([NH3+])CC1 ZINC001246548198 987938246 /nfs/dbraw/zinc/93/82/46/987938246.db2.gz SPLYOHDTJUXIPH-TZMCWYRMSA-N 1 3 233.359 1.826 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@@H]2CO)CCN1 ZINC001246561187 987993934 /nfs/dbraw/zinc/99/39/34/987993934.db2.gz FJXAYSQSEOTVQM-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@@H]2CO)CCN1 ZINC001246561187 987993995 /nfs/dbraw/zinc/99/39/95/987993995.db2.gz FJXAYSQSEOTVQM-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(CF)C2)CCN1 ZINC001246564050 988022254 /nfs/dbraw/zinc/02/22/54/988022254.db2.gz DBQVGNZHAWZGJA-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(CF)C2)CCN1 ZINC001246564050 988022269 /nfs/dbraw/zinc/02/22/69/988022269.db2.gz DBQVGNZHAWZGJA-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@@H](C)[NH2+]C)C1(C)C ZINC001118122047 988024685 /nfs/dbraw/zinc/02/46/85/988024685.db2.gz NGOZMBUCKLFCHM-GRYCIOLGSA-N 1 3 228.380 1.778 20 0 BDADHO CCC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001322050457 988086075 /nfs/dbraw/zinc/08/60/75/988086075.db2.gz QFQOJDDNVNQUKC-RYUDHWBXSA-N 1 3 243.395 1.077 20 0 BDADHO CC[C@@H](Cc1ccccc1)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578432 988087484 /nfs/dbraw/zinc/08/74/84/988087484.db2.gz BXMXIIGFXJPUJO-KKUMJFAQSA-N 1 3 248.370 1.259 20 0 BDADHO CC[C@@H](Cc1ccccc1)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578432 988087500 /nfs/dbraw/zinc/08/75/00/988087500.db2.gz BXMXIIGFXJPUJO-KKUMJFAQSA-N 1 3 248.370 1.259 20 0 BDADHO Cc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](CN)C2)cc1 ZINC001246583603 988126531 /nfs/dbraw/zinc/12/65/31/988126531.db2.gz KAKONXQDCYMRHB-VHDGCEQUSA-N 1 3 248.370 1.177 20 0 BDADHO Cc1ccc(C[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](CN)C2)cc1 ZINC001246583603 988126547 /nfs/dbraw/zinc/12/65/47/988126547.db2.gz KAKONXQDCYMRHB-VHDGCEQUSA-N 1 3 248.370 1.177 20 0 BDADHO C[C@H]1CC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@H](C)C1 ZINC001246589098 988153319 /nfs/dbraw/zinc/15/33/19/988153319.db2.gz YZYVOICBZIUTPA-HNCHTBHHSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@H]1CC([N@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@H](C)C1 ZINC001246589098 988153337 /nfs/dbraw/zinc/15/33/37/988153337.db2.gz YZYVOICBZIUTPA-HNCHTBHHSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@H](Cc1ccco1)N1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589045 988157782 /nfs/dbraw/zinc/15/77/82/988157782.db2.gz QZEGGBTUZSQYGI-KGYLQXTDSA-N 1 3 240.322 1.972 20 0 BDADHO FC1(F)C[C@@H]2C[N@@H+]([C@@H]3CCCNC3)C[C@@H]21 ZINC001246636313 988331966 /nfs/dbraw/zinc/33/19/66/988331966.db2.gz URMXXJTUELIUSV-BBBLOLIVSA-N 1 3 216.275 1.325 20 0 BDADHO FC1(F)C[C@@H]2C[N@H+]([C@@H]3CCCNC3)C[C@@H]21 ZINC001246636313 988331984 /nfs/dbraw/zinc/33/19/84/988331984.db2.gz URMXXJTUELIUSV-BBBLOLIVSA-N 1 3 216.275 1.325 20 0 BDADHO CC(C)CC[C@@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246642976 988355154 /nfs/dbraw/zinc/35/51/54/988355154.db2.gz NQUBCXVLGLEJDH-ZIAGYGMSSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679282 988425318 /nfs/dbraw/zinc/42/53/18/988425318.db2.gz TUGMSVWKWBOUSN-WYUUTHIRSA-N 1 3 222.332 1.323 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679282 988425329 /nfs/dbraw/zinc/42/53/29/988425329.db2.gz TUGMSVWKWBOUSN-WYUUTHIRSA-N 1 3 222.332 1.323 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(C)C)N(C)C ZINC001497964362 988434136 /nfs/dbraw/zinc/43/41/36/988434136.db2.gz OFZGWKCVZFAQEX-NEPJUHHUSA-N 1 3 243.395 1.077 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246852657 988570679 /nfs/dbraw/zinc/57/06/79/988570679.db2.gz JIGNGHMGFMTYAX-XQQFMLRXSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246852657 988570692 /nfs/dbraw/zinc/57/06/92/988570692.db2.gz JIGNGHMGFMTYAX-XQQFMLRXSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246852655 988572158 /nfs/dbraw/zinc/57/21/58/988572158.db2.gz JIGNGHMGFMTYAX-RWMBFGLXSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246852655 988572164 /nfs/dbraw/zinc/57/21/64/988572164.db2.gz JIGNGHMGFMTYAX-RWMBFGLXSA-N 1 3 226.364 1.613 20 0 BDADHO C1C[C@]2(C[N@@H+]1C1CCNCC1)CCCOC2 ZINC001246854605 988582900 /nfs/dbraw/zinc/58/29/00/988582900.db2.gz QJPWSPCFQXQZME-ZDUSSCGKSA-N 1 3 224.348 1.241 20 0 BDADHO C1C[C@]2(C[N@H+]1C1CCNCC1)CCCOC2 ZINC001246854605 988582911 /nfs/dbraw/zinc/58/29/11/988582911.db2.gz QJPWSPCFQXQZME-ZDUSSCGKSA-N 1 3 224.348 1.241 20 0 BDADHO CCN(CCn1ccnc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246917499 988714489 /nfs/dbraw/zinc/71/44/89/988714489.db2.gz DFHBZHXNUOZRIU-QWHCGFSZSA-N 1 3 236.363 1.346 20 0 BDADHO CCN(CCC(=O)OC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246918550 988715562 /nfs/dbraw/zinc/71/55/62/988715562.db2.gz FGPQZOLLUVRGHH-MNOVXSKESA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@H+](CCC(=O)OC)[C@H]1CCN[C@H](C)C1 ZINC001246918550 988715567 /nfs/dbraw/zinc/71/55/67/988715567.db2.gz FGPQZOLLUVRGHH-MNOVXSKESA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@@H+](CCC(=O)OC)[C@H]1CCN[C@H](C)C1 ZINC001246918550 988715589 /nfs/dbraw/zinc/71/55/89/988715589.db2.gz FGPQZOLLUVRGHH-MNOVXSKESA-N 1 3 228.336 1.012 20 0 BDADHO CCN(CCn1ccnc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246917506 988722093 /nfs/dbraw/zinc/72/20/93/988722093.db2.gz DFHBZHXNUOZRIU-STQMWFEESA-N 1 3 236.363 1.346 20 0 BDADHO CC(C)(C)[C@@H]1C[C@H](N2CCNC2)CC[NH2+]1 ZINC001246989840 988818748 /nfs/dbraw/zinc/81/87/48/988818748.db2.gz IPJFTULWRYYVIC-MNOVXSKESA-N 1 3 211.353 1.016 20 0 BDADHO CCN1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246995967 988828263 /nfs/dbraw/zinc/82/82/63/988828263.db2.gz WSHLPLDFTKJRBW-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H]1C[C@@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996528 988830018 /nfs/dbraw/zinc/83/00/18/988830018.db2.gz PBGBFFFZAKGMPQ-MBNYWOFBSA-N 1 3 235.375 1.469 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CNc2ccnc(CO)c2)C1 ZINC001120007046 989560974 /nfs/dbraw/zinc/56/09/74/989560974.db2.gz FUXRMGQYQCPMCG-LBPRGKRZSA-N 1 3 249.358 1.718 20 0 BDADHO CC[N@H+]1CCC[C@@H](CNc2ccnc(CO)c2)C1 ZINC001120007046 989560987 /nfs/dbraw/zinc/56/09/87/989560987.db2.gz FUXRMGQYQCPMCG-LBPRGKRZSA-N 1 3 249.358 1.718 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC001326688136 989652045 /nfs/dbraw/zinc/65/20/45/989652045.db2.gz OYLQGKQWCWHIGD-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](O)CN[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001120521371 989692630 /nfs/dbraw/zinc/69/26/30/989692630.db2.gz JPEYIHDJNGVGFF-SDDRHHMPSA-N 1 3 226.364 1.220 20 0 BDADHO CCC[NH2+][C@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001522512515 989860066 /nfs/dbraw/zinc/86/00/66/989860066.db2.gz ROTWJOALUZFDMP-SNVBAGLBSA-N 1 3 247.342 1.616 20 0 BDADHO CSCC[C@H](C)N1CCN(CCC[NH3+])CC1 ZINC001258205549 991125162 /nfs/dbraw/zinc/12/51/62/991125162.db2.gz JQBWENMXMWYTLI-LBPRGKRZSA-N 1 3 245.436 1.094 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1ccc(=O)[nH]c1)CC2 ZINC001139469558 991251382 /nfs/dbraw/zinc/25/13/82/991251382.db2.gz XDGRKSSNTRGBPP-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO COC(=O)CC[C@H](C)NC(C)(C)C(C)(C)[NH3+] ZINC001258358900 991297747 /nfs/dbraw/zinc/29/77/47/991297747.db2.gz MLSMRTOUUQLWCT-VIFPVBQESA-N 1 3 230.352 1.434 20 0 BDADHO CCN(CCC[NH+](C)C)[C@H](C)CCC(=O)OC ZINC001258376680 991334019 /nfs/dbraw/zinc/33/40/19/991334019.db2.gz HAQDFOVHTMZSLS-GFCCVEGCSA-N 1 3 244.379 1.602 20 0 BDADHO CCOC(=O)CC[C@H](C)N(C)C[C@H](C)C[NH3+] ZINC001258484668 991454038 /nfs/dbraw/zinc/45/40/38/991454038.db2.gz WIBACVUIDQQWAH-MNOVXSKESA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001258484668 991454041 /nfs/dbraw/zinc/45/40/41/991454041.db2.gz WIBACVUIDQQWAH-MNOVXSKESA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001258484668 991454045 /nfs/dbraw/zinc/45/40/45/991454045.db2.gz WIBACVUIDQQWAH-MNOVXSKESA-N 1 3 230.352 1.245 20 0 BDADHO C[C@@]1(F)CCN(CCCC[NH3+])C[C@H]1F ZINC001206743541 991634433 /nfs/dbraw/zinc/63/44/33/991634433.db2.gz ACFHSVQOGBANOW-NXEZZACHSA-N 1 3 206.280 1.497 20 0 BDADHO C[C@@]1(F)CCN(CCCC[NH3+])C[C@@H]1F ZINC001206743543 991634845 /nfs/dbraw/zinc/63/48/45/991634845.db2.gz ACFHSVQOGBANOW-VHSXEESVSA-N 1 3 206.280 1.497 20 0 BDADHO C(C1=NOCC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001574800520 992915868 /nfs/dbraw/zinc/91/58/68/992915868.db2.gz JFABOBRCANADRZ-CYBMUJFWSA-N 1 3 237.347 1.227 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCCN(CC2CC2)C1)[C@H](C)O ZINC001262570184 992927797 /nfs/dbraw/zinc/92/77/97/992927797.db2.gz PMJFKNBAHYMOIJ-MBNYWOFBSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(CN[C@H]1C[C@H]([NH3+])C1)Oc1ccccc1 ZINC001575334481 993013569 /nfs/dbraw/zinc/01/35/69/993013569.db2.gz LEEQIBGZLAWPCR-HAQNSBGRSA-N 1 3 234.343 1.923 20 0 BDADHO CC(C)CC[C@H](O)CN1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001575565732 993071372 /nfs/dbraw/zinc/07/13/72/993071372.db2.gz OPROINVVOLLRIH-RDBSUJKOSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H](CCO)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC001575967387 993142988 /nfs/dbraw/zinc/14/29/88/993142988.db2.gz MXGFJQFHBRDZKE-GXTWGEPZSA-N 1 3 236.359 1.307 20 0 BDADHO C[C@@H](CNCC12CC(C1)C[NH2+]2)N1CCCCC1 ZINC001576032253 993163120 /nfs/dbraw/zinc/16/31/20/993163120.db2.gz AJUXOXOXFGHOIA-HSBZDZAISA-N 1 3 237.391 1.202 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCN[C@@H]1C)C1CCOCC1 ZINC001576252796 993219557 /nfs/dbraw/zinc/21/95/57/993219557.db2.gz TXHMITURNDSSDU-FOGDFJRCSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240479 993228154 /nfs/dbraw/zinc/22/81/54/993228154.db2.gz ZRFXFHMKXFTUNL-SDDRHHMPSA-N 1 3 242.363 1.258 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380560 993283961 /nfs/dbraw/zinc/28/39/61/993283961.db2.gz UNHBTLRZPDXCMR-VPJKUYQRSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380560 993283972 /nfs/dbraw/zinc/28/39/72/993283972.db2.gz UNHBTLRZPDXCMR-VPJKUYQRSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC[C@H](O)Cc1ccccc1 ZINC001576380524 993287352 /nfs/dbraw/zinc/28/73/52/993287352.db2.gz TWUWCNWXICBORD-RDBSUJKOSA-N 1 3 248.370 1.305 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCC1(C2(O)CCC2)CC1 ZINC001576381629 993290625 /nfs/dbraw/zinc/29/06/25/993290625.db2.gz CDOBWKQJYLJRNC-MNOVXSKESA-N 1 3 238.375 1.397 20 0 BDADHO C[C@]1(CN[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520136 993331732 /nfs/dbraw/zinc/33/17/32/993331732.db2.gz ZANGWJJVGAQOKG-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@]1(C)CCCNC1 ZINC001576572303 993349840 /nfs/dbraw/zinc/34/98/40/993349840.db2.gz KOCRCHYSYNXENY-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@]1(C)CCCNC1 ZINC001576572303 993349845 /nfs/dbraw/zinc/34/98/45/993349845.db2.gz KOCRCHYSYNXENY-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1N[C@H]1CCO[C@@H](C)C1 ZINC001576622181 993374463 /nfs/dbraw/zinc/37/44/63/993374463.db2.gz AURDGLJZAUVHLZ-WHOHXGKFSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]1CN(C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC001576806040 993426331 /nfs/dbraw/zinc/42/63/31/993426331.db2.gz ALWITKBWAFVTNM-VTPLQMEGSA-N 1 3 248.374 1.193 20 0 BDADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC001576914762 993452776 /nfs/dbraw/zinc/45/27/76/993452776.db2.gz NGOIACOOZCYFJS-LOTCAWRZSA-N 1 3 212.337 1.029 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576914762 993452779 /nfs/dbraw/zinc/45/27/79/993452779.db2.gz NGOIACOOZCYFJS-LOTCAWRZSA-N 1 3 212.337 1.029 20 0 BDADHO CC[C@@H](C)[C@H](C(=O)OC)N1CCC(C[NH3+])CC1 ZINC001576966784 993473386 /nfs/dbraw/zinc/47/33/86/993473386.db2.gz LIINLVKZYKEKHA-ZYHUDNBSSA-N 1 3 242.363 1.245 20 0 BDADHO CC[C@H](CSC)NC[C@@H]([NH3+])CCOC ZINC001577092847 993503646 /nfs/dbraw/zinc/50/36/46/993503646.db2.gz JIZYJLLLYCNXJV-VHSXEESVSA-N 1 3 220.382 1.081 20 0 BDADHO Cc1nc2c(n1[C@@H]1CCC[N@@H+](C)C1)CNCC2 ZINC000383941423 993529469 /nfs/dbraw/zinc/52/94/69/993529469.db2.gz VFGJAEBAMIHEKR-LLVKDONJSA-N 1 3 234.347 1.104 20 0 BDADHO Cc1nc2c(n1[C@@H]1CCC[N@H+](C)C1)CNCC2 ZINC000383941423 993529481 /nfs/dbraw/zinc/52/94/81/993529481.db2.gz VFGJAEBAMIHEKR-LLVKDONJSA-N 1 3 234.347 1.104 20 0 BDADHO CC[C@H](NC[C@H]([NH3+])CCOC)[C@@H]1CCCCO1 ZINC001577176216 993534669 /nfs/dbraw/zinc/53/46/69/993534669.db2.gz WGFWGMXWRYPSHV-AGIUHOORSA-N 1 3 244.379 1.288 20 0 BDADHO CC[C@]1(C)CCCN(C[C@]2(O)CC[NH2+]C2)C1 ZINC001577205653 993545452 /nfs/dbraw/zinc/54/54/52/993545452.db2.gz VVTYUEMRNDHTJA-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]CC2CNC2)CCO1 ZINC001577240876 993550383 /nfs/dbraw/zinc/55/03/83/993550383.db2.gz NSWLJSJQPWSIQR-ZYHUDNBSSA-N 1 3 212.337 1.001 20 0 BDADHO CC(C)[NH+]1CCC(n2cnc(CN)c2)CC1 ZINC000387443990 993708037 /nfs/dbraw/zinc/70/80/37/993708037.db2.gz ZNIBVYCVIWYUQS-UHFFFAOYSA-N 1 3 222.336 1.387 20 0 BDADHO COC(C)(C)CC[N@@H+]1CCCC[C@H](CN)C1 ZINC000393758869 994004078 /nfs/dbraw/zinc/00/40/78/994004078.db2.gz YXPYGIRZGWPNHK-GFCCVEGCSA-N 1 3 228.380 1.862 20 0 BDADHO COC(C)(C)CC[N@H+]1CCCC[C@H](CN)C1 ZINC000393758869 994004085 /nfs/dbraw/zinc/00/40/85/994004085.db2.gz YXPYGIRZGWPNHK-GFCCVEGCSA-N 1 3 228.380 1.862 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN(CC1CC1)C1CC1 ZINC000393859763 994018835 /nfs/dbraw/zinc/01/88/35/994018835.db2.gz FKZZRQHZYXFVAY-AWEZNQCLSA-N 1 3 240.391 1.564 20 0 BDADHO CCOC(C)(C)CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000702665518 994030500 /nfs/dbraw/zinc/03/05/00/994030500.db2.gz YRGAJGOXYZUFFC-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCC1(O)CCC1 ZINC000643488736 398144783 /nfs/dbraw/zinc/14/47/83/398144783.db2.gz LIGBMHVVOMMVQQ-RYUDHWBXSA-N 1 3 226.364 1.541 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCC1(O)CCC1 ZINC000643488735 398144956 /nfs/dbraw/zinc/14/49/56/398144956.db2.gz LIGBMHVVOMMVQQ-NWDGAFQWSA-N 1 3 226.364 1.541 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422906188 398157392 /nfs/dbraw/zinc/15/73/92/398157392.db2.gz UIJBPBOGDABNEZ-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000422976751 398161083 /nfs/dbraw/zinc/16/10/83/398161083.db2.gz IXLINWAGASNMSG-WISYIIOYSA-N 1 3 246.420 1.219 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000423174001 398164536 /nfs/dbraw/zinc/16/45/36/398164536.db2.gz AWVRVFMPFCVCBU-MQYQWHSLSA-N 1 3 240.391 1.515 20 0 BDADHO COC[C@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)C ZINC000423327083 398166311 /nfs/dbraw/zinc/16/63/11/398166311.db2.gz LAXBZELUTFBZHZ-STQMWFEESA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@H](NC[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327083 398166314 /nfs/dbraw/zinc/16/63/14/398166314.db2.gz LAXBZELUTFBZHZ-STQMWFEESA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334260154 398194707 /nfs/dbraw/zinc/19/47/07/398194707.db2.gz RKCLILJIDLWLMO-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@H](C)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334260154 398194708 /nfs/dbraw/zinc/19/47/08/398194708.db2.gz RKCLILJIDLWLMO-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO Cc1cc(N2CC[C@@H]3CCN(C)C[C@@H]32)cc[nH+]1 ZINC000274814446 178117077 /nfs/dbraw/zinc/11/70/77/178117077.db2.gz YSVSNVOVMJPPAQ-JSGCOSHPSA-N 1 3 231.343 1.920 20 0 BDADHO CCC[C@@H](CN[C@@H](C)CC[NH+](C)C)OC ZINC000386556226 398213394 /nfs/dbraw/zinc/21/33/94/398213394.db2.gz IBCVDGAEWLZHPV-RYUDHWBXSA-N 1 3 216.369 1.731 20 0 BDADHO Cc1noc(C)c1CN1CCC[C@H](CC[NH3+])C1 ZINC000070169480 398221645 /nfs/dbraw/zinc/22/16/45/398221645.db2.gz UJJNAUUKBRZSSS-GFCCVEGCSA-N 1 3 237.347 1.852 20 0 BDADHO Cc1cc(N[C@H](C)CN2CCN(C)CC2)cc[nH+]1 ZINC000274938808 178186071 /nfs/dbraw/zinc/18/60/71/178186071.db2.gz SMZCEFNNCISDJS-CYBMUJFWSA-N 1 3 248.374 1.438 20 0 BDADHO COCCCCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430557199 398227791 /nfs/dbraw/zinc/22/77/91/398227791.db2.gz SBOGVXAWMLFLSY-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H](CNC(=O)CCC[NH3+])N1CCCC[C@@H]1C ZINC000430766223 398231732 /nfs/dbraw/zinc/23/17/32/398231732.db2.gz WMPMCXXZNBIQAR-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCOC2)c2ccccc21 ZINC000252792393 136227011 /nfs/dbraw/zinc/22/70/11/136227011.db2.gz VLIBFBLATPZYFO-HONMWMINSA-N 1 3 232.327 1.757 20 0 BDADHO NCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576703095 365662820 /nfs/dbraw/zinc/66/28/20/365662820.db2.gz AMWOUYPHNRKBAS-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO NCCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576703095 365662828 /nfs/dbraw/zinc/66/28/28/365662828.db2.gz AMWOUYPHNRKBAS-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CC(C)CN1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649471989 398273424 /nfs/dbraw/zinc/27/34/24/398273424.db2.gz XZHPMDDUNMJUQL-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO CC(C)CN1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649471989 398273425 /nfs/dbraw/zinc/27/34/25/398273425.db2.gz XZHPMDDUNMJUQL-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO OCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000166471666 361851885 /nfs/dbraw/zinc/85/18/85/361851885.db2.gz BBOUITQFPVFTEM-UHFFFAOYSA-N 1 3 226.364 1.365 20 0 BDADHO Cc1n[nH]cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632695 136241380 /nfs/dbraw/zinc/24/13/80/136241380.db2.gz IONBJLKQMMHLOA-STQMWFEESA-N 1 3 248.374 1.540 20 0 BDADHO c1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633526 136241754 /nfs/dbraw/zinc/24/17/54/136241754.db2.gz IYFFDWFRSNFCQM-NWDGAFQWSA-N 1 3 234.347 1.231 20 0 BDADHO CCO[C@@H](CN1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000625166752 342899070 /nfs/dbraw/zinc/89/90/70/342899070.db2.gz LHXUCVRXDONLTH-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386046899 342905309 /nfs/dbraw/zinc/90/53/09/342905309.db2.gz UOBKQQRAOVDZPV-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000495260838 529573967 /nfs/dbraw/zinc/57/39/67/529573967.db2.gz HZFZFUUGRZVZRN-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000495260838 529573971 /nfs/dbraw/zinc/57/39/71/529573971.db2.gz HZFZFUUGRZVZRN-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CCN1CCC([NH2+]C[C@@H](C)N(C)C)CC1 ZINC000038088994 343059354 /nfs/dbraw/zinc/05/93/54/343059354.db2.gz VABNZVFLXNZDMO-LLVKDONJSA-N 1 3 213.369 1.010 20 0 BDADHO CNCc1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000576849432 365704027 /nfs/dbraw/zinc/70/40/27/365704027.db2.gz XZRBGVXYVOTMOB-AWEZNQCLSA-N 1 3 247.342 1.487 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOCC2CC2)C1 ZINC000236310582 343091538 /nfs/dbraw/zinc/09/15/38/343091538.db2.gz HBYKKVYXLZDSCG-NEPJUHHUSA-N 1 3 212.337 1.273 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOCC2CC2)C1 ZINC000236323324 343091795 /nfs/dbraw/zinc/09/17/95/343091795.db2.gz HBYKKVYXLZDSCG-RYUDHWBXSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCC[C@@H]3C[NH2+]CC[C@H]32)O1 ZINC000634688508 343248201 /nfs/dbraw/zinc/24/82/01/343248201.db2.gz VBFUBPYLCHSQQP-AAVRWANBSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]3CNCC[C@H]32)O1 ZINC000634688508 343248202 /nfs/dbraw/zinc/24/82/02/343248202.db2.gz VBFUBPYLCHSQQP-AAVRWANBSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]3CNCC[C@H]32)O1 ZINC000634688508 343248204 /nfs/dbraw/zinc/24/82/04/343248204.db2.gz VBFUBPYLCHSQQP-AAVRWANBSA-N 1 3 238.375 1.628 20 0 BDADHO COCC[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000069724597 343290098 /nfs/dbraw/zinc/29/00/98/343290098.db2.gz CJWZJWKVFHNYDL-TUAOUCFPSA-N 1 3 214.353 1.471 20 0 BDADHO COCC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000069724597 343290099 /nfs/dbraw/zinc/29/00/99/343290099.db2.gz CJWZJWKVFHNYDL-TUAOUCFPSA-N 1 3 214.353 1.471 20 0 BDADHO Cc1c[nH+]ccc1NCCN(C)C1CC1 ZINC000070047392 343297576 /nfs/dbraw/zinc/29/75/76/343297576.db2.gz RICFNVOMTWIBKS-UHFFFAOYSA-N 1 3 205.305 1.896 20 0 BDADHO c1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335636021 136300746 /nfs/dbraw/zinc/30/07/46/136300746.db2.gz SYTYKEJGYILEHP-ZIAGYGMSSA-N 1 3 245.370 1.903 20 0 BDADHO CCc1cnc(CNCC[C@H]2CC[NH2+]C2)s1 ZINC000234222186 343374938 /nfs/dbraw/zinc/37/49/38/343374938.db2.gz PPGAUNWUXRRMBU-SNVBAGLBSA-N 1 3 239.388 1.795 20 0 BDADHO CC[C@H](COC)NCCC[NH+](CC)CC ZINC000070623682 343335967 /nfs/dbraw/zinc/33/59/67/343335967.db2.gz MWTTYYDOYBQEEL-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO CC[C@H](COC)[NH2+]CCCN(CC)CC ZINC000070623682 343335969 /nfs/dbraw/zinc/33/59/69/343335969.db2.gz MWTTYYDOYBQEEL-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO CCCCOCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166227904 136314025 /nfs/dbraw/zinc/31/40/25/136314025.db2.gz YUBOLZSXFJALAC-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1N ZINC000082544839 343447103 /nfs/dbraw/zinc/44/71/03/343447103.db2.gz RRIWELIHBCUNAK-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1N ZINC000082544839 343447105 /nfs/dbraw/zinc/44/71/05/343447105.db2.gz RRIWELIHBCUNAK-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1CN(CC2CCOCC2)CC[C@@H]1[NH3+] ZINC000082544839 343447107 /nfs/dbraw/zinc/44/71/07/343447107.db2.gz RRIWELIHBCUNAK-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000247980715 136373623 /nfs/dbraw/zinc/37/36/23/136373623.db2.gz MPLZFJZKKGQBPV-ZFWWWQNUSA-N 1 3 247.386 1.944 20 0 BDADHO CC[N@H+]1CC[C@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000247980715 136373624 /nfs/dbraw/zinc/37/36/24/136373624.db2.gz MPLZFJZKKGQBPV-ZFWWWQNUSA-N 1 3 247.386 1.944 20 0 BDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)N ZINC000083903409 178545227 /nfs/dbraw/zinc/54/52/27/178545227.db2.gz ZGXMBVJXVWSWGP-SNVBAGLBSA-N 1 3 235.331 1.342 20 0 BDADHO C[C@@]1(CNC[C@]2(C)CCCO2)CC[NH2+]C1 ZINC000087255591 343641978 /nfs/dbraw/zinc/64/19/78/343641978.db2.gz RVNBPJFBTPZFFR-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO FC(F)C1CC[NH+](C2CCNCC2)CC1 ZINC000307890525 343789899 /nfs/dbraw/zinc/78/98/99/343789899.db2.gz PVYKWSDCFOJBCF-UHFFFAOYSA-N 1 3 218.291 1.716 20 0 BDADHO FC1(F)CC[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]21 ZINC000409427503 343801290 /nfs/dbraw/zinc/80/12/90/343801290.db2.gz KOJWKIWZRZVBIB-KOLCDFICSA-N 1 3 230.302 1.716 20 0 BDADHO FC1(F)CC[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]21 ZINC000409427503 343801291 /nfs/dbraw/zinc/80/12/91/343801291.db2.gz KOJWKIWZRZVBIB-KOLCDFICSA-N 1 3 230.302 1.716 20 0 BDADHO Cc1cccc(C)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000096811122 343903986 /nfs/dbraw/zinc/90/39/86/343903986.db2.gz MDOCYSXRSQJNGP-KBPBESRZSA-N 1 3 230.355 1.955 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732433 344106921 /nfs/dbraw/zinc/10/69/21/344106921.db2.gz GOYMGQFSADZTDE-SRVKXCTJSA-N 1 3 226.364 1.532 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000634733675 344114021 /nfs/dbraw/zinc/11/40/21/344114021.db2.gz KXYPYDSYXXIGAO-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CCOC[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000133009457 344310448 /nfs/dbraw/zinc/31/04/48/344310448.db2.gz BPCGSVXIIZWKGY-QWRGUYRKSA-N 1 3 202.342 1.341 20 0 BDADHO COCC[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000133298082 344316634 /nfs/dbraw/zinc/31/66/34/344316634.db2.gz CNELLXXHFDQRMY-RYUDHWBXSA-N 1 3 216.369 1.717 20 0 BDADHO CC[C@@H]1CN(CCCCC(=O)OC)CC[C@H]1[NH3+] ZINC000600709272 344360970 /nfs/dbraw/zinc/36/09/70/344360970.db2.gz IBDBCZHFLRJOPW-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000600711822 344361791 /nfs/dbraw/zinc/36/17/91/344361791.db2.gz SQHRRBBENYDYAW-GFCCVEGCSA-N 1 3 228.336 1.000 20 0 BDADHO COC(=O)CCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000600711822 344361792 /nfs/dbraw/zinc/36/17/92/344361792.db2.gz SQHRRBBENYDYAW-GFCCVEGCSA-N 1 3 228.336 1.000 20 0 BDADHO COC(=O)CCCCN1CC[C@](C)(C[NH3+])C1 ZINC000600711822 344361793 /nfs/dbraw/zinc/36/17/93/344361793.db2.gz SQHRRBBENYDYAW-GFCCVEGCSA-N 1 3 228.336 1.000 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000381211325 344485727 /nfs/dbraw/zinc/48/57/27/344485727.db2.gz DZCKFNRMGXMCKP-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336782948 537852785 /nfs/dbraw/zinc/85/27/85/537852785.db2.gz ZBWYRSQDVNZBIL-QWHCGFSZSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]Cc1cccnc1 ZINC000049551900 344652967 /nfs/dbraw/zinc/65/29/67/344652967.db2.gz HXVLTVMUGVUGHL-LLVKDONJSA-N 1 3 207.321 1.511 20 0 BDADHO [NH3+][C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000050227976 344660210 /nfs/dbraw/zinc/66/02/10/344660210.db2.gz UYCYGECWSULEDD-LSDHHAIUSA-N 1 3 245.370 1.294 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046124 344695194 /nfs/dbraw/zinc/69/51/94/344695194.db2.gz QPFPKPVUEIMWIU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046124 344695197 /nfs/dbraw/zinc/69/51/97/344695197.db2.gz QPFPKPVUEIMWIU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156008809 345117418 /nfs/dbraw/zinc/11/74/18/345117418.db2.gz JRWQOLWWUOKJTH-MGPQQGTHSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156008809 345117421 /nfs/dbraw/zinc/11/74/21/345117421.db2.gz JRWQOLWWUOKJTH-MGPQQGTHSA-N 1 3 248.374 1.488 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000155692307 345096916 /nfs/dbraw/zinc/09/69/16/345096916.db2.gz YGLKODRVZILGKG-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000155692307 345096917 /nfs/dbraw/zinc/09/69/17/345096917.db2.gz YGLKODRVZILGKG-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO C(N1CCN(C2CCCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634991444 345177632 /nfs/dbraw/zinc/17/76/32/345177632.db2.gz DUNAICQVAALRFR-UHFFFAOYSA-N 1 3 249.402 1.299 20 0 BDADHO CC(C)[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156146232 345128120 /nfs/dbraw/zinc/12/81/20/345128120.db2.gz LRJTWZTUJXHHKO-XQQFMLRXSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156146232 345128122 /nfs/dbraw/zinc/12/81/22/345128122.db2.gz LRJTWZTUJXHHKO-XQQFMLRXSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@]2(C)CC[NH2+]C2)[C@@H](C)O1 ZINC000635001723 345201883 /nfs/dbraw/zinc/20/18/83/345201883.db2.gz ZBLWCPGKDKVUOH-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)(F)C[NH2+][C@H]1CCCCC[C@H]1N ZINC000635002966 345205367 /nfs/dbraw/zinc/20/53/67/345205367.db2.gz CLAVCRIJHBFHRG-ZJUUUORDSA-N 1 3 202.317 1.984 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)O1 ZINC000635007840 345209379 /nfs/dbraw/zinc/20/93/79/345209379.db2.gz BNQUTHJPYFEJOW-LPWJVIDDSA-N 1 3 240.391 1.920 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007096 345211206 /nfs/dbraw/zinc/21/12/06/345211206.db2.gz ABHBAEYTAPHYHD-QJPTWQEYSA-N 1 3 228.380 1.778 20 0 BDADHO CCOC[C@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635010424 345212613 /nfs/dbraw/zinc/21/26/13/345212613.db2.gz KTECSISOEOKJQV-LBPRGKRZSA-N 1 3 248.370 1.847 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010419 345212666 /nfs/dbraw/zinc/21/26/66/345212666.db2.gz ZXIGGBAUOITVPX-CFVMTHIKSA-N 1 3 248.370 1.714 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010419 345212667 /nfs/dbraw/zinc/21/26/67/345212667.db2.gz ZXIGGBAUOITVPX-CFVMTHIKSA-N 1 3 248.370 1.714 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635010773 345212819 /nfs/dbraw/zinc/21/28/19/345212819.db2.gz BEFRGAMIYPRDBO-FNCVBFRFSA-N 1 3 222.254 1.654 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CNc2ccccc21)C1CNC1 ZINC000635007875 345214906 /nfs/dbraw/zinc/21/49/06/345214906.db2.gz QCSNHNPGXVDEHB-VXGBXAGGSA-N 1 3 245.370 1.783 20 0 BDADHO C[C@@H](NCC[C@@H]1CNc2ccccc21)C1C[NH2+]C1 ZINC000635007875 345214908 /nfs/dbraw/zinc/21/49/08/345214908.db2.gz QCSNHNPGXVDEHB-VXGBXAGGSA-N 1 3 245.370 1.783 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)O1 ZINC000397477220 345353789 /nfs/dbraw/zinc/35/37/89/345353789.db2.gz IEYINBGWWCEONU-XGFWRYKXSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)O1 ZINC000397477220 345353790 /nfs/dbraw/zinc/35/37/90/345353790.db2.gz IEYINBGWWCEONU-XGFWRYKXSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)O1 ZINC000397477220 345353791 /nfs/dbraw/zinc/35/37/91/345353791.db2.gz IEYINBGWWCEONU-XGFWRYKXSA-N 1 3 240.391 1.859 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000223024735 535005073 /nfs/dbraw/zinc/00/50/73/535005073.db2.gz SWPBKKKDAUYUAN-QWHCGFSZSA-N 1 3 228.380 1.874 20 0 BDADHO COc1ccc(CN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000216022164 345743618 /nfs/dbraw/zinc/74/36/18/345743618.db2.gz DHDHXXOSFZCFAD-YPMHNXCESA-N 1 3 234.343 1.864 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000563153887 323096005 /nfs/dbraw/zinc/09/60/05/323096005.db2.gz GDFWRSRLPXMDLC-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CNCCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000563153887 323096006 /nfs/dbraw/zinc/09/60/06/323096006.db2.gz GDFWRSRLPXMDLC-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159984654 345772005 /nfs/dbraw/zinc/77/20/05/345772005.db2.gz UJDVILIIVPKLJE-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159984654 345772007 /nfs/dbraw/zinc/77/20/07/345772007.db2.gz UJDVILIIVPKLJE-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000159984654 345772008 /nfs/dbraw/zinc/77/20/08/345772008.db2.gz UJDVILIIVPKLJE-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H](CO)Cc2ccccc2)C1 ZINC000093216088 345857690 /nfs/dbraw/zinc/85/76/90/345857690.db2.gz FSDRREZNGRPVKW-SOUVJXGZSA-N 1 3 248.370 1.450 20 0 BDADHO CC(C)N(C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250491761 535010607 /nfs/dbraw/zinc/01/06/07/535010607.db2.gz HHZSKLWNHDFVEZ-KBPBESRZSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)N(C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250491761 535010615 /nfs/dbraw/zinc/01/06/15/535010615.db2.gz HHZSKLWNHDFVEZ-KBPBESRZSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408973 345927853 /nfs/dbraw/zinc/92/78/53/345927853.db2.gz WMABSQNIQCQQLA-HZSPNIEDSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408973 345927858 /nfs/dbraw/zinc/92/78/58/345927858.db2.gz WMABSQNIQCQQLA-HZSPNIEDSA-N 1 3 237.391 1.297 20 0 BDADHO Cc1noc(CCCN[C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800243 362750599 /nfs/dbraw/zinc/75/05/99/362750599.db2.gz AEUAEVUVXUXKEB-VHSXEESVSA-N 1 3 238.335 1.026 20 0 BDADHO Cn1cncc1CCN1CCCC[C@@H]1CC[NH3+] ZINC000641798179 362743121 /nfs/dbraw/zinc/74/31/21/362743121.db2.gz IJIHCVPCCAWXTK-GFCCVEGCSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCCC[C@@H]1CCN ZINC000641798179 362743124 /nfs/dbraw/zinc/74/31/24/362743124.db2.gz IJIHCVPCCAWXTK-GFCCVEGCSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCCC[C@@H]1CCN ZINC000641798179 362743129 /nfs/dbraw/zinc/74/31/29/362743129.db2.gz IJIHCVPCCAWXTK-GFCCVEGCSA-N 1 3 236.363 1.166 20 0 BDADHO CO[C@@H](CC(C)C)CN1CC[C@H](C[NH+](C)C)C1 ZINC000419200959 192103218 /nfs/dbraw/zinc/10/32/18/192103218.db2.gz FCMFTEBRAKELNH-KGLIPLIRSA-N 1 3 242.407 1.931 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300375569 346531163 /nfs/dbraw/zinc/53/11/63/346531163.db2.gz FYMGSDXKUSUHPS-AGIUHOORSA-N 1 3 228.380 1.645 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187399329 346573702 /nfs/dbraw/zinc/57/37/02/346573702.db2.gz KPRBEUSLXYOFIO-CHWSQXEVSA-N 1 3 228.380 1.543 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187399329 346573703 /nfs/dbraw/zinc/57/37/03/346573703.db2.gz KPRBEUSLXYOFIO-CHWSQXEVSA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)COC)C1 ZINC000187399329 346573705 /nfs/dbraw/zinc/57/37/05/346573705.db2.gz KPRBEUSLXYOFIO-CHWSQXEVSA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)COC)C1 ZINC000187399329 346573707 /nfs/dbraw/zinc/57/37/07/346573707.db2.gz KPRBEUSLXYOFIO-CHWSQXEVSA-N 1 3 228.380 1.543 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000187469007 346578422 /nfs/dbraw/zinc/57/84/22/346578422.db2.gz HIODOOAIRIBOFF-MGPQQGTHSA-N 1 3 240.391 1.685 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000187469007 346578424 /nfs/dbraw/zinc/57/84/24/346578424.db2.gz HIODOOAIRIBOFF-MGPQQGTHSA-N 1 3 240.391 1.685 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000250682258 362817313 /nfs/dbraw/zinc/81/73/13/362817313.db2.gz YZFXFIXNIHVMIP-GMTAPVOTSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCS2)C1 ZINC000250682258 362817320 /nfs/dbraw/zinc/81/73/20/362817320.db2.gz YZFXFIXNIHVMIP-GMTAPVOTSA-N 1 3 214.378 1.742 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000388357852 347354367 /nfs/dbraw/zinc/35/43/67/347354367.db2.gz JWKSNYBVSCBHRQ-VXGBXAGGSA-N 1 3 214.353 1.520 20 0 BDADHO CCOCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000388383155 347376268 /nfs/dbraw/zinc/37/62/68/347376268.db2.gz VBDOMIMWZLQKFZ-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO CCC[NH+]1CCC(CNCc2cn[nH]c2)CC1 ZINC000591708003 347687873 /nfs/dbraw/zinc/68/78/73/347687873.db2.gz FSXMAFHTJZPZLP-UHFFFAOYSA-N 1 3 236.363 1.621 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414983346 323152383 /nfs/dbraw/zinc/15/23/83/323152383.db2.gz TUFREAYMMBAJQW-LBPRGKRZSA-N 1 3 235.331 1.472 20 0 BDADHO CSCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000591567881 347670639 /nfs/dbraw/zinc/67/06/39/347670639.db2.gz YZCULIPWJOMPRJ-VIFPVBQESA-N 1 3 239.388 1.862 20 0 BDADHO CC1(C)SC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000307093284 187392849 /nfs/dbraw/zinc/39/28/49/187392849.db2.gz CSUDBBIHBROWPX-ZJUUUORDSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1CCCCO1 ZINC000251509080 362883515 /nfs/dbraw/zinc/88/35/15/362883515.db2.gz IGJHLVAFQFHWMU-YNEHKIRRSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@H]1CCCCO1 ZINC000251509080 362883519 /nfs/dbraw/zinc/88/35/19/362883519.db2.gz IGJHLVAFQFHWMU-YNEHKIRRSA-N 1 3 226.364 1.757 20 0 BDADHO C(NC1CCCCC1)[C@@H]1C[NH2+]CCCO1 ZINC000335627682 187393116 /nfs/dbraw/zinc/39/31/16/187393116.db2.gz GLPCDFJLURGYJV-LBPRGKRZSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000070315879 349993635 /nfs/dbraw/zinc/99/36/35/349993635.db2.gz BNLVHOVLSMLQDV-LLVKDONJSA-N 1 3 249.358 1.814 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCOC1)CN1CCCCC1 ZINC000070464855 490215626 /nfs/dbraw/zinc/21/56/26/490215626.db2.gz XCOFYJDWYKDMKI-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](CN[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464855 490215633 /nfs/dbraw/zinc/21/56/33/490215633.db2.gz XCOFYJDWYKDMKI-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CCCC[C@H]1CCN ZINC000253110352 349224165 /nfs/dbraw/zinc/22/41/65/349224165.db2.gz GDFAZGAUGUMLHW-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@@H](C)C[N@H+]1CCCC[C@H]1CCN ZINC000253110352 349224167 /nfs/dbraw/zinc/22/41/67/349224167.db2.gz GDFAZGAUGUMLHW-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@H]1CCCOC1 ZINC000252109825 349196796 /nfs/dbraw/zinc/19/67/96/349196796.db2.gz JKKMCGOAWBBARK-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@H]1CCCOC1 ZINC000252109825 349196798 /nfs/dbraw/zinc/19/67/98/349196798.db2.gz JKKMCGOAWBBARK-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCCOC1 ZINC000252109825 349196800 /nfs/dbraw/zinc/19/68/00/349196800.db2.gz JKKMCGOAWBBARK-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO CC[C@@H](CNC1CC[NH+](CC2CC2)CC1)OC ZINC000583470450 349253908 /nfs/dbraw/zinc/25/39/08/349253908.db2.gz NJKRDXLIRIIWPN-AWEZNQCLSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH+]1CCC(CN[C@@H](C)c2cnccn2)CC1 ZINC000070479538 350014216 /nfs/dbraw/zinc/01/42/16/350014216.db2.gz OSISIYXGDHSWOV-LBPRGKRZSA-N 1 3 248.374 1.859 20 0 BDADHO CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000132170484 191026024 /nfs/dbraw/zinc/02/60/24/191026024.db2.gz DOTDWQFRHDVYEW-MGPQQGTHSA-N 1 3 234.343 1.738 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000422731739 192445758 /nfs/dbraw/zinc/44/57/58/192445758.db2.gz OCMDHKCTLRPCEF-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCOC1 ZINC000132248804 191029721 /nfs/dbraw/zinc/02/97/21/191029721.db2.gz YBMINTWUQYJWDN-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000132374035 191030940 /nfs/dbraw/zinc/03/09/40/191030940.db2.gz UQSGAVUCFNJFBO-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000132374035 191030943 /nfs/dbraw/zinc/03/09/43/191030943.db2.gz UQSGAVUCFNJFBO-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO COC(=O)C(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000304343435 350155157 /nfs/dbraw/zinc/15/51/57/350155157.db2.gz BQQFGRGAZNSMBA-VHSXEESVSA-N 1 3 228.336 1.045 20 0 BDADHO COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000304343435 350155161 /nfs/dbraw/zinc/15/51/61/350155161.db2.gz BQQFGRGAZNSMBA-VHSXEESVSA-N 1 3 228.336 1.045 20 0 BDADHO CCCC[C@H](COC)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422761650 192458800 /nfs/dbraw/zinc/45/88/00/192458800.db2.gz RJVSAJFCVLFXOM-GRYCIOLGSA-N 1 3 216.369 1.907 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCn1cnc2ccccc21 ZINC000422772156 192462160 /nfs/dbraw/zinc/46/21/60/192462160.db2.gz YXGCTWPWRGRIDU-VXGBXAGGSA-N 1 3 246.358 1.752 20 0 BDADHO Cc1ncsc1CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000228079809 180308437 /nfs/dbraw/zinc/30/84/37/180308437.db2.gz SXLOFNQZYGEJKN-KOLCDFICSA-N 1 3 239.388 1.663 20 0 BDADHO CC[C@@H]1CCCN(C[C@@H](O)C[N@H+](C)CC)C1 ZINC000309253542 323332996 /nfs/dbraw/zinc/33/29/96/323332996.db2.gz NRQDEHOMIAYHDP-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000309253542 323332997 /nfs/dbraw/zinc/33/29/97/323332997.db2.gz NRQDEHOMIAYHDP-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCCCN1 ZINC000131329126 191099528 /nfs/dbraw/zinc/09/95/28/191099528.db2.gz KAQVNCNQHZVJMA-AWEZNQCLSA-N 1 3 247.342 1.616 20 0 BDADHO C([NH2+]C[C@H]1CCCNC1)[C@@H]1CCSC1 ZINC000228553601 191105826 /nfs/dbraw/zinc/10/58/26/191105826.db2.gz HMMGFFJMGPRJKK-QWRGUYRKSA-N 1 3 214.378 1.329 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+]1CCCOCC1 ZINC000335253937 538093413 /nfs/dbraw/zinc/09/34/13/538093413.db2.gz FDIJSPKDCZVLAD-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+]1CCCOCC1 ZINC000335253937 538093416 /nfs/dbraw/zinc/09/34/16/538093416.db2.gz FDIJSPKDCZVLAD-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO CCN1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000336653227 350586867 /nfs/dbraw/zinc/58/68/67/350586867.db2.gz GBRRMYFRXLQPMN-LBPRGKRZSA-N 1 3 227.396 1.258 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)CC[C@H]1[NH3+] ZINC000251865285 362972249 /nfs/dbraw/zinc/97/22/49/362972249.db2.gz TZBXVQJDUAHLEG-FVCCEPFGSA-N 1 3 226.364 1.613 20 0 BDADHO CCOCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000336684311 350920365 /nfs/dbraw/zinc/92/03/65/350920365.db2.gz FAALJTOTVAJJAB-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCOCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000336684311 350920369 /nfs/dbraw/zinc/92/03/69/350920369.db2.gz FAALJTOTVAJJAB-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H](O)C1(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351369 351313373 /nfs/dbraw/zinc/31/33/73/351313373.db2.gz CSYNVZDVLOOOEC-MNOVXSKESA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H](O)C1(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351369 351313376 /nfs/dbraw/zinc/31/33/76/351313376.db2.gz CSYNVZDVLOOOEC-MNOVXSKESA-N 1 3 226.364 1.362 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852229 351711446 /nfs/dbraw/zinc/71/14/46/351711446.db2.gz VCRNKUYXUYXGGQ-AAEUAGOBSA-N 1 3 243.395 1.240 20 0 BDADHO CC[C@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)N(C)C ZINC000637852665 351712175 /nfs/dbraw/zinc/71/21/75/351712175.db2.gz WSGATYSACRHUFF-DGCLKSJQSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000638084418 351960154 /nfs/dbraw/zinc/96/01/54/351960154.db2.gz LJBXYHPAWVMSAG-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)C1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000638186444 352051291 /nfs/dbraw/zinc/05/12/91/352051291.db2.gz UBRMQBKQWIFBMN-TXEJJXNPSA-N 1 3 208.349 1.574 20 0 BDADHO C[C@H](NCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638290930 352125087 /nfs/dbraw/zinc/12/50/87/352125087.db2.gz WMCFQLWFWFIVEX-IUCAKERBSA-N 1 3 206.280 1.571 20 0 BDADHO CCN1CC[C@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638381345 352193007 /nfs/dbraw/zinc/19/30/07/352193007.db2.gz KIVSWSOQXXBNDO-IYXRBSQSSA-N 1 3 248.374 1.518 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000638410533 352219301 /nfs/dbraw/zinc/21/93/01/352219301.db2.gz FIKCODWHECWFAA-LLVKDONJSA-N 1 3 241.379 1.138 20 0 BDADHO CC(C)COCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000261536986 535176665 /nfs/dbraw/zinc/17/66/65/535176665.db2.gz ULLLLBHXCBDGJH-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H](N)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638545394 352375117 /nfs/dbraw/zinc/37/51/17/352375117.db2.gz RSNPJXQMAJDLER-GFCCVEGCSA-N 1 3 247.342 1.162 20 0 BDADHO CCC[C@H](CC)NC[C@@]1(COC)CCC[NH2+]1 ZINC000414955859 352375297 /nfs/dbraw/zinc/37/52/97/352375297.db2.gz NUAYESLVZXZPHB-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C1 ZINC000300377536 352561455 /nfs/dbraw/zinc/56/14/55/352561455.db2.gz QZTKOVMFJQZVJE-NDBYEHHHSA-N 1 3 226.364 1.397 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCO[C@H]2C2CC2)C1 ZINC000300384614 352562008 /nfs/dbraw/zinc/56/20/08/352562008.db2.gz JFVIRNZTIXDQLG-VOAKCMCISA-N 1 3 224.348 1.413 20 0 BDADHO CN1CC=C(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638838320 353023295 /nfs/dbraw/zinc/02/32/95/353023295.db2.gz GCSQXMQQXRNSSI-CYBMUJFWSA-N 1 3 224.348 1.407 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821911 353002579 /nfs/dbraw/zinc/00/25/79/353002579.db2.gz DDNXXAHVOQFWLX-AAEUAGOBSA-N 1 3 241.379 1.234 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726794 188084834 /nfs/dbraw/zinc/08/48/34/188084834.db2.gz LJVZVUQDZNIGEK-XQQFMLRXSA-N 1 3 224.348 1.382 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCO1 ZINC000127726794 188084835 /nfs/dbraw/zinc/08/48/35/188084835.db2.gz LJVZVUQDZNIGEK-XQQFMLRXSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C(C)(C)C ZINC000336759166 353169077 /nfs/dbraw/zinc/16/90/77/353169077.db2.gz ZYVSMKIMLNYMHZ-LLVKDONJSA-N 1 3 228.380 1.467 20 0 BDADHO C(CN1CCCCC1)O[C@@H]1CCC[NH2+]C1 ZINC000051787188 188157085 /nfs/dbraw/zinc/15/70/85/188157085.db2.gz AWISSAOMJWCGMB-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO C(CN[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000020128716 188175107 /nfs/dbraw/zinc/17/51/07/188175107.db2.gz CBCXEAWTIBXIBK-LBPRGKRZSA-N 1 3 228.405 1.958 20 0 BDADHO CC(C)[NH+]1CCC(N(C)CC[C@@H](C)O)CC1 ZINC000336674050 188181451 /nfs/dbraw/zinc/18/14/51/188181451.db2.gz LAVGWBWCMSZGAF-GFCCVEGCSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[C@H](O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336668203 188181490 /nfs/dbraw/zinc/18/14/90/188181490.db2.gz RUVZQHYQSRDKED-CHWSQXEVSA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)[C@H](O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336668203 188181491 /nfs/dbraw/zinc/18/14/91/188181491.db2.gz RUVZQHYQSRDKED-CHWSQXEVSA-N 1 3 228.380 1.277 20 0 BDADHO NC1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCCCC1 ZINC000639022244 353277645 /nfs/dbraw/zinc/27/76/45/353277645.db2.gz JTUIKKVTRHXRHW-XYPYZODXSA-N 1 3 239.363 1.034 20 0 BDADHO CC(C)(O)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331892374 188227160 /nfs/dbraw/zinc/22/71/60/188227160.db2.gz DKFRZWWBUAEYAO-MNOVXSKESA-N 1 3 214.353 1.397 20 0 BDADHO CC(C)CCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336691425 538117526 /nfs/dbraw/zinc/11/75/26/538117526.db2.gz HATVOYAKXASVDI-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000405461626 353497037 /nfs/dbraw/zinc/49/70/37/353497037.db2.gz IUROQWWGKUNSIR-RYUDHWBXSA-N 1 3 204.317 1.902 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)c2cccnc2)C1 ZINC000577865695 366091460 /nfs/dbraw/zinc/09/14/60/366091460.db2.gz KIGOYIORGATVSH-MGPQQGTHSA-N 1 3 249.358 1.017 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)c2cccnc2)C1 ZINC000577865695 366091461 /nfs/dbraw/zinc/09/14/61/366091461.db2.gz KIGOYIORGATVSH-MGPQQGTHSA-N 1 3 249.358 1.017 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)c2cccnc2)C1 ZINC000577865693 366091500 /nfs/dbraw/zinc/09/15/00/366091500.db2.gz KIGOYIORGATVSH-BFHYXJOUSA-N 1 3 249.358 1.017 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)c2cccnc2)C1 ZINC000577865693 366091503 /nfs/dbraw/zinc/09/15/03/366091503.db2.gz KIGOYIORGATVSH-BFHYXJOUSA-N 1 3 249.358 1.017 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CN(CC)C[C@H]2C)C1 ZINC000343557948 353921143 /nfs/dbraw/zinc/92/11/43/353921143.db2.gz GOHAHIVIBIXIQJ-MCIONIFRSA-N 1 3 239.407 1.258 20 0 BDADHO CCN(CC[NH2+][C@H]1CN(CC)C[C@@H]1C)C(C)C ZINC000343907990 354036550 /nfs/dbraw/zinc/03/65/50/354036550.db2.gz GYKIPJIGCZZOBM-KBPBESRZSA-N 1 3 241.423 1.647 20 0 BDADHO C[N@H+](C[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000231669136 363347669 /nfs/dbraw/zinc/34/76/69/363347669.db2.gz CGAIQBLTQDXZFI-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000231669136 363347673 /nfs/dbraw/zinc/34/76/73/363347673.db2.gz CGAIQBLTQDXZFI-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344331020 354227122 /nfs/dbraw/zinc/22/71/22/354227122.db2.gz ONQSEEWSNXMLDQ-DOMZBBRYSA-N 1 3 249.402 1.321 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000344772172 354359954 /nfs/dbraw/zinc/35/99/54/354359954.db2.gz MMWWIBIADFUOHD-ZIAGYGMSSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H](O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334624978 354364128 /nfs/dbraw/zinc/36/41/28/354364128.db2.gz SEEGXRPWHTWIFS-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334624978 354364131 /nfs/dbraw/zinc/36/41/31/354364131.db2.gz SEEGXRPWHTWIFS-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)OCC ZINC000530212541 324527569 /nfs/dbraw/zinc/52/75/69/324527569.db2.gz QSMKOLKEJVMRAW-JHJVBQTASA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335229465 355071920 /nfs/dbraw/zinc/07/19/20/355071920.db2.gz GWJRGKVJJIUHGN-JSGCOSHPSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335229465 355071923 /nfs/dbraw/zinc/07/19/23/355071923.db2.gz GWJRGKVJJIUHGN-JSGCOSHPSA-N 1 3 218.344 1.997 20 0 BDADHO CN(C[C@H]1CCC[C@H]1O)C[C@@H]1CCC[NH2+]C1 ZINC000346975395 355209974 /nfs/dbraw/zinc/20/99/74/355209974.db2.gz IXAQGMSLXPTZOT-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[N@H+](C[C@H]1CCC[C@H]1O)C[C@@H]1CCCNC1 ZINC000346975395 355209975 /nfs/dbraw/zinc/20/99/75/355209975.db2.gz IXAQGMSLXPTZOT-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[N@@H+](C[C@H]1CCC[C@H]1O)C[C@@H]1CCCNC1 ZINC000346975395 355209976 /nfs/dbraw/zinc/20/99/76/355209976.db2.gz IXAQGMSLXPTZOT-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2C)CC1 ZINC000347004690 355201887 /nfs/dbraw/zinc/20/18/87/355201887.db2.gz AOMCTGQSPSJYDZ-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO CC[C@@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000412979335 191347979 /nfs/dbraw/zinc/34/79/79/191347979.db2.gz TYBJFWRAPFJTKG-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000412979335 191347982 /nfs/dbraw/zinc/34/79/82/191347982.db2.gz TYBJFWRAPFJTKG-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CCCCOCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000113516119 355252858 /nfs/dbraw/zinc/25/28/58/355252858.db2.gz ICJAZTPLRUNNPB-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCCCOCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000113516119 355252862 /nfs/dbraw/zinc/25/28/62/355252862.db2.gz ICJAZTPLRUNNPB-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](N)C2)CCO1 ZINC000388975921 355382302 /nfs/dbraw/zinc/38/23/02/355382302.db2.gz ZAIUJDDRNDOUKH-NDBYEHHHSA-N 1 3 226.364 1.661 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414831708 191592051 /nfs/dbraw/zinc/59/20/51/191592051.db2.gz DMGOJPVZFJPGCJ-AVGNSLFASA-N 1 3 228.380 1.635 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000417413860 191834943 /nfs/dbraw/zinc/83/49/43/191834943.db2.gz XWCFIZHVCSNZSW-WUHRBBMRSA-N 1 3 224.348 1.116 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000417413860 191834944 /nfs/dbraw/zinc/83/49/44/191834944.db2.gz XWCFIZHVCSNZSW-WUHRBBMRSA-N 1 3 224.348 1.116 20 0 BDADHO CC(C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000070585083 535290801 /nfs/dbraw/zinc/29/08/01/535290801.db2.gz ANZKXSWTJPJAMV-LBPRGKRZSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCN(C)c2ccccc2)C1 ZINC000351863475 356100082 /nfs/dbraw/zinc/10/00/82/356100082.db2.gz UBWTYRIOBSURGO-KBPBESRZSA-N 1 3 247.386 1.792 20 0 BDADHO Cc1nccn1CCCN(C)C1CC([NH3+])C1 ZINC000420344335 192216409 /nfs/dbraw/zinc/21/64/09/192216409.db2.gz XUIHAZWVJGEQFS-UHFFFAOYSA-N 1 3 222.336 1.003 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639510519 356343639 /nfs/dbraw/zinc/34/36/39/356343639.db2.gz BBRGJSVHTBKSRB-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639510519 356343642 /nfs/dbraw/zinc/34/36/42/356343642.db2.gz BBRGJSVHTBKSRB-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CC[C@@H]1Cc2ccccc2CN1CCOCC[NH3+] ZINC000420353236 192218178 /nfs/dbraw/zinc/21/81/78/192218178.db2.gz BLERLNCHJMRJAI-OAHLLOKOSA-N 1 3 248.370 1.799 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420299500 192207911 /nfs/dbraw/zinc/20/79/11/192207911.db2.gz GQVMDDBADIEIHW-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCCc2ccncc2)C1 ZINC000420305508 192208445 /nfs/dbraw/zinc/20/84/45/192208445.db2.gz KKEZKQSIEJNQDL-GXTWGEPZSA-N 1 3 233.359 1.683 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420306999 192208478 /nfs/dbraw/zinc/20/84/78/192208478.db2.gz LOQWOKNKEHXERE-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO CC(C)OC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000420312896 192210117 /nfs/dbraw/zinc/21/01/17/192210117.db2.gz JBNHJXMBFJJRTR-GFCCVEGCSA-N 1 3 242.363 1.531 20 0 BDADHO CN(CC[C@H]1CCCCO1)C1CC([NH3+])C1 ZINC000420322647 192227325 /nfs/dbraw/zinc/22/73/25/192227325.db2.gz AQJMXBSRCCBTHL-HTAVTVPLSA-N 1 3 212.337 1.367 20 0 BDADHO COC(=O)CC1(CN[C@](C)(C[NH3+])C(C)C)CC1 ZINC000420325051 192228919 /nfs/dbraw/zinc/22/89/19/192228919.db2.gz WBBQBFNPTRQEFL-GFCCVEGCSA-N 1 3 242.363 1.293 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000383740018 491090500 /nfs/dbraw/zinc/09/05/00/491090500.db2.gz IDYGMBAKTWMGNB-MCIONIFRSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]2CCC[C@@H]2C1 ZINC000383740018 491090501 /nfs/dbraw/zinc/09/05/01/491090501.db2.gz IDYGMBAKTWMGNB-MCIONIFRSA-N 1 3 240.391 1.419 20 0 BDADHO CCOCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361979 192222692 /nfs/dbraw/zinc/22/26/92/192222692.db2.gz HKYBUZAGRDDZPT-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO CCC[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000420364347 192223791 /nfs/dbraw/zinc/22/37/91/192223791.db2.gz QOKGUGJDFHQEFP-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO COCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420383692 192234816 /nfs/dbraw/zinc/23/48/16/192234816.db2.gz DNRSSHIOGOYZMU-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)OCCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420396985 192236394 /nfs/dbraw/zinc/23/63/94/192236394.db2.gz FPLZBMVWRNTCCW-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000420396985 192236397 /nfs/dbraw/zinc/23/63/97/192236397.db2.gz FPLZBMVWRNTCCW-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000420396985 192236400 /nfs/dbraw/zinc/23/64/00/192236400.db2.gz FPLZBMVWRNTCCW-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO FCCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420409950 192238850 /nfs/dbraw/zinc/23/88/50/192238850.db2.gz XRTGPZVEICGTFY-VXGBXAGGSA-N 1 3 214.328 1.810 20 0 BDADHO CC[C@H](C)N(CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377075 192231185 /nfs/dbraw/zinc/23/11/85/192231185.db2.gz RNYCDYNOYVAPPM-NWDGAFQWSA-N 1 3 242.363 1.260 20 0 BDADHO CCOCCCN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420376578 192232077 /nfs/dbraw/zinc/23/20/77/192232077.db2.gz VFIPFWLZOBPTQA-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422937199 192511937 /nfs/dbraw/zinc/51/19/37/192511937.db2.gz NVXICCATPZQWCA-MXWKQRLJSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccccc1O ZINC000422976878 192514703 /nfs/dbraw/zinc/51/47/03/192514703.db2.gz VTBVDZKFBHYOLJ-WDEREUQCSA-N 1 3 222.332 1.650 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CN ZINC000423019277 192541759 /nfs/dbraw/zinc/54/17/59/192541759.db2.gz UYXVSEJGKQRFJD-UMSGYPCISA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](N[C@@H](CO)CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000423023697 192543601 /nfs/dbraw/zinc/54/36/01/192543601.db2.gz KELJSRRPHJMFFE-FPMFFAJLSA-N 1 3 240.391 1.515 20 0 BDADHO COCC(C)(C)CCC[NH2+][C@H](C)C1CNC1 ZINC000423124501 192576255 /nfs/dbraw/zinc/57/62/55/192576255.db2.gz MOUDVSGDGIXJJU-LLVKDONJSA-N 1 3 228.380 1.637 20 0 BDADHO CCC[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000450434631 202167474 /nfs/dbraw/zinc/16/74/74/202167474.db2.gz DLPWFLNNLZGHNC-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000450434631 202167476 /nfs/dbraw/zinc/16/74/76/202167476.db2.gz DLPWFLNNLZGHNC-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO COC[C@@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335384 356716975 /nfs/dbraw/zinc/71/69/75/356716975.db2.gz KXDIYPHACVHTLS-GHMZBOCLSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335384 356716976 /nfs/dbraw/zinc/71/69/76/356716976.db2.gz KXDIYPHACVHTLS-GHMZBOCLSA-N 1 3 214.353 1.484 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000130264030 325032126 /nfs/dbraw/zinc/03/21/26/325032126.db2.gz KPBMKOMEARGXFF-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO CC[C@@H]1CCCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000383698762 538664558 /nfs/dbraw/zinc/66/45/58/538664558.db2.gz VGLADBNNUUTJCX-KGLIPLIRSA-N 1 3 242.407 1.952 20 0 BDADHO CC[C@@H]1CCCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000383698762 538664561 /nfs/dbraw/zinc/66/45/61/538664561.db2.gz VGLADBNNUUTJCX-KGLIPLIRSA-N 1 3 242.407 1.952 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623383935 356909107 /nfs/dbraw/zinc/90/91/07/356909107.db2.gz HYLHPHOZXPEHSN-STQMWFEESA-N 1 3 241.423 1.789 20 0 BDADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ncc[nH]1 ZINC000353682229 538760883 /nfs/dbraw/zinc/76/08/83/538760883.db2.gz CJQWWLOZEVHGER-NSHDSACASA-N 1 3 236.363 1.792 20 0 BDADHO CN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000156056386 538761219 /nfs/dbraw/zinc/76/12/19/538761219.db2.gz KOMYMQCDAUTKKJ-HZSPNIEDSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000156056386 538761220 /nfs/dbraw/zinc/76/12/20/538761220.db2.gz KOMYMQCDAUTKKJ-HZSPNIEDSA-N 1 3 237.391 1.297 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@@H]2CCO[C@H]2C)CC1 ZINC000120057941 357031190 /nfs/dbraw/zinc/03/11/90/357031190.db2.gz CLPVBBSZNJIBLU-GXTWGEPZSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)N1CCC([NH2+]CC2(F)CC2)CC1 ZINC000389894214 357061331 /nfs/dbraw/zinc/06/13/31/357061331.db2.gz XRRYYJZGEZSTEA-UHFFFAOYSA-N 1 3 214.328 1.951 20 0 BDADHO CC(F)(F)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000393596600 357288215 /nfs/dbraw/zinc/28/82/15/357288215.db2.gz AVRSPGXMJQZZDC-RKDXNWHRSA-N 1 3 206.280 1.891 20 0 BDADHO C[C@@H](O)[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000582541361 357340671 /nfs/dbraw/zinc/34/06/71/357340671.db2.gz AAUVFJIHPRUIQA-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@@H](O)[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000582541361 357340677 /nfs/dbraw/zinc/34/06/77/357340677.db2.gz AAUVFJIHPRUIQA-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000230500743 357551844 /nfs/dbraw/zinc/55/18/44/357551844.db2.gz SJMXUIZQXVHHDM-FRRDWIJNSA-N 1 3 228.380 1.501 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@H]1CCO ZINC000191479557 357773764 /nfs/dbraw/zinc/77/37/64/357773764.db2.gz KDRCWYYLZLTDBW-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@H]1CCO ZINC000191479557 357773768 /nfs/dbraw/zinc/77/37/68/357773768.db2.gz KDRCWYYLZLTDBW-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO COC[C@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000234736071 357833826 /nfs/dbraw/zinc/83/38/26/357833826.db2.gz LSUVDGXHOYKLNN-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000234736071 357833829 /nfs/dbraw/zinc/83/38/29/357833829.db2.gz LSUVDGXHOYKLNN-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO Cc1c[nH+]ccc1NC[C@@H](C)N1CCN(C)CC1 ZINC000192558956 357844085 /nfs/dbraw/zinc/84/40/85/357844085.db2.gz NAPZICICHVHGIO-CYBMUJFWSA-N 1 3 248.374 1.438 20 0 BDADHO C[C@@]1(C(=O)Nc2ccc3c(c2)CNC3)CCC[NH2+]1 ZINC000583742290 357932512 /nfs/dbraw/zinc/93/25/12/357932512.db2.gz DVFYQIBSRPCJEU-AWEZNQCLSA-N 1 3 245.326 1.370 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccco1 ZINC000584584749 358097348 /nfs/dbraw/zinc/09/73/48/358097348.db2.gz NZWSMUPFYZNLBE-QWRGUYRKSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000584584749 358097350 /nfs/dbraw/zinc/09/73/50/358097350.db2.gz NZWSMUPFYZNLBE-QWRGUYRKSA-N 1 3 210.321 1.928 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCCCO)C1 ZINC000229106707 358345279 /nfs/dbraw/zinc/34/52/79/358345279.db2.gz ROCOLGQTIBMMFJ-WDEREUQCSA-N 1 3 200.326 1.009 20 0 BDADHO COC[C@H](C)[NH2+]CCCN1CCCC1 ZINC000049332221 358683212 /nfs/dbraw/zinc/68/32/12/358683212.db2.gz QWIZVXLTFUFZGH-NSHDSACASA-N 1 3 200.326 1.097 20 0 BDADHO COC[C@H](C)NCCC[NH+]1CCCC1 ZINC000049332221 358683213 /nfs/dbraw/zinc/68/32/13/358683213.db2.gz QWIZVXLTFUFZGH-NSHDSACASA-N 1 3 200.326 1.097 20 0 BDADHO COC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000133671671 358762689 /nfs/dbraw/zinc/76/26/89/358762689.db2.gz MDUIJXTUAGIJLC-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000133671671 358762691 /nfs/dbraw/zinc/76/26/91/358762691.db2.gz MDUIJXTUAGIJLC-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCn2cccn2)[C@H](C)C1 ZINC000134076852 358779027 /nfs/dbraw/zinc/77/90/27/358779027.db2.gz CNRNDYLSULFQQC-CHWSQXEVSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCn2cccn2)[C@H](C)C1 ZINC000134076852 358779030 /nfs/dbraw/zinc/77/90/30/358779030.db2.gz CNRNDYLSULFQQC-CHWSQXEVSA-N 1 3 236.363 1.203 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000134360440 358787499 /nfs/dbraw/zinc/78/74/99/358787499.db2.gz JAVBHRHMNUEONP-BPNCWPANSA-N 1 3 234.343 1.882 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086404500 358968653 /nfs/dbraw/zinc/96/86/53/358968653.db2.gz FMQYTJARATZKAY-DCAQKATOSA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC1(C)C ZINC000423434082 192768048 /nfs/dbraw/zinc/76/80/48/192768048.db2.gz PSMXKHRBJKDFEJ-LVEVGFFFSA-N 1 3 208.349 1.619 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@@H](OC)C12CCC2 ZINC000578433830 366566673 /nfs/dbraw/zinc/56/66/73/366566673.db2.gz JJPAHQZOJHAWCE-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO COc1ccccc1C[C@H](C)[N@H+](C)CCCN ZINC000088193931 359941617 /nfs/dbraw/zinc/94/16/17/359941617.db2.gz YVIYWKWCGXFEJD-LBPRGKRZSA-N 1 3 236.359 1.907 20 0 BDADHO COc1ccccc1C[C@H](C)[N@@H+](C)CCCN ZINC000088193931 359941619 /nfs/dbraw/zinc/94/16/19/359941619.db2.gz YVIYWKWCGXFEJD-LBPRGKRZSA-N 1 3 236.359 1.907 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000089139536 359991603 /nfs/dbraw/zinc/99/16/03/359991603.db2.gz QCQYJKVQQQKFPC-GXTWGEPZSA-N 1 3 233.359 1.731 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1ccccn1 ZINC000089139536 359991606 /nfs/dbraw/zinc/99/16/06/359991606.db2.gz QCQYJKVQQQKFPC-GXTWGEPZSA-N 1 3 233.359 1.731 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](C)O)C1 ZINC000578880547 366666271 /nfs/dbraw/zinc/66/62/71/366666271.db2.gz HIKOODPGHKDNSQ-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](C)O)C1 ZINC000578880547 366666276 /nfs/dbraw/zinc/66/62/76/366666276.db2.gz HIKOODPGHKDNSQ-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000578880547 366666281 /nfs/dbraw/zinc/66/62/81/366666281.db2.gz HIKOODPGHKDNSQ-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO COc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000089146305 359993050 /nfs/dbraw/zinc/99/30/50/359993050.db2.gz WQNJWAPADNKPNZ-OLZOCXBDSA-N 1 3 249.358 1.697 20 0 BDADHO COc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089140517 359993071 /nfs/dbraw/zinc/99/30/71/359993071.db2.gz DBUPZUMLDANGEA-QWHCGFSZSA-N 1 3 249.358 1.697 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146685 359993205 /nfs/dbraw/zinc/99/32/05/359993205.db2.gz YYEFIKSUSJVZRJ-QWHCGFSZSA-N 1 3 240.391 1.789 20 0 BDADHO CCOCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093451107 360244079 /nfs/dbraw/zinc/24/40/79/360244079.db2.gz NOPXQGZKWNOZFH-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461799 360245529 /nfs/dbraw/zinc/24/55/29/360245529.db2.gz KTGCNXWPRLQPKE-YIYPIFLZSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1Cc2ccccc2[C@H]1NCCC[NH3+] ZINC000415089122 200794098 /nfs/dbraw/zinc/79/40/98/200794098.db2.gz MTEUZNRLPABENH-GWCFXTLKSA-N 1 3 204.317 1.858 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000629388728 361035209 /nfs/dbraw/zinc/03/52/09/361035209.db2.gz PFRRPFYLMRLMFJ-YXCITZCRSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H](CC1CCOCC1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409404 361058186 /nfs/dbraw/zinc/05/81/86/361058186.db2.gz APKZKOBJJKULRD-YRGRVCCFSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410582 361060628 /nfs/dbraw/zinc/06/06/28/361060628.db2.gz HBWHGHPAIILXEY-OPDFLTKYSA-N 1 3 237.391 1.199 20 0 BDADHO CC(C)[C@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000629418386 361063103 /nfs/dbraw/zinc/06/31/03/361063103.db2.gz XNZFGHAYUURGIG-YIYPIFLZSA-N 1 3 240.391 1.920 20 0 BDADHO CCO[C@@H](CN1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519282 361120656 /nfs/dbraw/zinc/12/06/56/361120656.db2.gz OITXLURMDLCRQV-UONOGXRCSA-N 1 3 238.375 1.487 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cccs1 ZINC000629529190 361138020 /nfs/dbraw/zinc/13/80/20/361138020.db2.gz UWBQBNGTJCEWDM-JTQLQIEISA-N 1 3 228.361 1.635 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccc(F)cc1 ZINC000629529276 361138849 /nfs/dbraw/zinc/13/88/49/361138849.db2.gz XMOQHZHCHVVCET-LLVKDONJSA-N 1 3 240.322 1.712 20 0 BDADHO CC[C@@H](NCCOCC[NH2+]C)c1ccncc1 ZINC000629530315 361144459 /nfs/dbraw/zinc/14/44/59/361144459.db2.gz CJBZQPWGBQNSES-CYBMUJFWSA-N 1 3 237.347 1.358 20 0 BDADHO CCO[C@H](CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000629532307 361151273 /nfs/dbraw/zinc/15/12/73/361151273.db2.gz UVKKJMIJNWKQRS-HZSPNIEDSA-N 1 3 238.375 1.485 20 0 BDADHO NC1(C[NH2+][C@H]2CCc3ccccc32)CCOCC1 ZINC000629524691 361125709 /nfs/dbraw/zinc/12/57/09/361125709.db2.gz TZBDUWIAQIAVAB-AWEZNQCLSA-N 1 3 246.354 1.771 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]CC[C@H](C)N)C1 ZINC000622044520 370676875 /nfs/dbraw/zinc/67/68/75/370676875.db2.gz JAWHPTUBKKXMET-DCAQKATOSA-N 1 3 200.326 1.271 20 0 BDADHO NC1(C[NH2+]CCOc2ccccc2)CCC1 ZINC000342147952 181331888 /nfs/dbraw/zinc/33/18/88/181331888.db2.gz ZTNDXDJUXOGMTO-UHFFFAOYSA-N 1 3 220.316 1.536 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528673 201113028 /nfs/dbraw/zinc/11/30/28/201113028.db2.gz NFCIRHWZMNOEOZ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528673 201113029 /nfs/dbraw/zinc/11/30/29/201113029.db2.gz NFCIRHWZMNOEOZ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000429528673 201113031 /nfs/dbraw/zinc/11/30/31/201113031.db2.gz NFCIRHWZMNOEOZ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCN[C@H]2C)CC1 ZINC000629543939 361412932 /nfs/dbraw/zinc/41/29/32/361412932.db2.gz DTZUXRPHAPFGCX-YWPUVAFDSA-N 1 3 226.364 1.532 20 0 BDADHO COCCC[C@H](C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629534865 361408518 /nfs/dbraw/zinc/40/85/18/361408518.db2.gz BDQZPHTUYOJENX-SDDRHHMPSA-N 1 3 214.353 1.532 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1CC[NH2+][C@H]1C ZINC000629547850 361431967 /nfs/dbraw/zinc/43/19/67/361431967.db2.gz VQDSPWWKXHTUGR-COPLHBTASA-N 1 3 248.374 1.250 20 0 BDADHO CO[C@H]1C[C@@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000629554350 361441467 /nfs/dbraw/zinc/44/14/67/361441467.db2.gz HYHXPJGKRGDGJE-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO CN(CCN[C@@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000629555360 361447282 /nfs/dbraw/zinc/44/72/82/361447282.db2.gz VIXRZCPURKZACI-VHSXEESVSA-N 1 3 235.322 1.043 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1ccc(C)cc1 ZINC000629568414 361460708 /nfs/dbraw/zinc/46/07/08/361460708.db2.gz VGVHOFOTRNJPEC-UHFFFAOYSA-N 1 3 236.359 1.663 20 0 BDADHO C[C@@H]1C[C@@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593213 361484809 /nfs/dbraw/zinc/48/48/09/361484809.db2.gz ITGCTSFYSLNRGJ-LPWJVIDDSA-N 1 3 208.349 1.574 20 0 BDADHO NCc1cccc2c1N(C[C@@H]1CC[NH2+]C1)CCC2 ZINC000629558306 361452966 /nfs/dbraw/zinc/45/29/66/361452966.db2.gz FOMVTMPRLVGJGY-GFCCVEGCSA-N 1 3 245.370 1.507 20 0 BDADHO C(CN1CCO[C@@H]2CCC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC000629567788 361457523 /nfs/dbraw/zinc/45/75/23/361457523.db2.gz LFKHSYNDUJJOKI-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO CCN1CC[C@@H]([NH2+]CCCN(C)C)[C@H](C)C1 ZINC000151922074 201187593 /nfs/dbraw/zinc/18/75/93/201187593.db2.gz WHINNSFCBLSKAR-CHWSQXEVSA-N 1 3 227.396 1.258 20 0 BDADHO Cn1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000629653840 361554257 /nfs/dbraw/zinc/55/42/57/361554257.db2.gz KTZDUZWSCAQWAZ-OLZOCXBDSA-N 1 3 221.348 1.632 20 0 BDADHO CN(C/C=C\c1ccccc1)CCOCC[NH3+] ZINC000629663030 361595576 /nfs/dbraw/zinc/59/55/76/361595576.db2.gz JEJDQADWFUEFJK-YVMONPNESA-N 1 3 234.343 1.607 20 0 BDADHO CC[N@H+](C[C@@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000435388714 201267773 /nfs/dbraw/zinc/26/77/73/201267773.db2.gz GWEIRQQMOCSVOY-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000435388714 201267775 /nfs/dbraw/zinc/26/77/75/201267775.db2.gz GWEIRQQMOCSVOY-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO c1cc([C@H]2CNCCO2)ccc1C1=CC[NH2+]CC1 ZINC000629722900 361663369 /nfs/dbraw/zinc/66/33/69/361663369.db2.gz GVHIOSZGZUFOTB-OAHLLOKOSA-N 1 3 244.338 1.724 20 0 BDADHO c1cc(C2=CC[NH2+]CC2)cc([C@H]2CNCCO2)c1 ZINC000629722812 361663677 /nfs/dbraw/zinc/66/36/77/361663677.db2.gz FDBVHWJSHBAZRB-OAHLLOKOSA-N 1 3 244.338 1.724 20 0 BDADHO CCCO[C@@H]1CCCN(CCC[NH2+]C)CC1 ZINC000435883425 201296892 /nfs/dbraw/zinc/29/68/92/201296892.db2.gz KTVINGGARLPMFV-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CCCO[C@@H]1CCC[N@H+](CCCNC)CC1 ZINC000435883425 201296894 /nfs/dbraw/zinc/29/68/94/201296894.db2.gz KTVINGGARLPMFV-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CCCO[C@@H]1CCC[N@@H+](CCCNC)CC1 ZINC000435883425 201296896 /nfs/dbraw/zinc/29/68/96/201296896.db2.gz KTVINGGARLPMFV-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO C[NH2+]CCCN1CCC[C@H]1Cn1ccnc1C ZINC000435881999 201294666 /nfs/dbraw/zinc/29/46/66/201294666.db2.gz RJMGFOIXLBHMLX-ZDUSSCGKSA-N 1 3 236.363 1.265 20 0 BDADHO CCCO[C@H]1CCCN(CCC[NH2+]C)CC1 ZINC000435883426 201295165 /nfs/dbraw/zinc/29/51/65/201295165.db2.gz KTVINGGARLPMFV-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CCCO[C@H]1CCC[N@H+](CCCNC)CC1 ZINC000435883426 201295167 /nfs/dbraw/zinc/29/51/67/201295167.db2.gz KTVINGGARLPMFV-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CCCO[C@H]1CCC[N@@H+](CCCNC)CC1 ZINC000435883426 201295170 /nfs/dbraw/zinc/29/51/70/201295170.db2.gz KTVINGGARLPMFV-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO [NH3+]C1CCN(C[C@H]2CCSC2)CC1 ZINC000224608346 181344274 /nfs/dbraw/zinc/34/42/74/181344274.db2.gz PECSOIITNIVHCE-SECBINFHSA-N 1 3 200.351 1.163 20 0 BDADHO O[C@@H]1CCCC[C@H]1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000328317588 364826113 /nfs/dbraw/zinc/82/61/13/364826113.db2.gz CVZLSHZRIXVGMF-MJBXVCDLSA-N 1 3 238.375 1.223 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000328533578 364868919 /nfs/dbraw/zinc/86/89/19/364868919.db2.gz ZCNUTKSFCHQFGP-FDYHWXHSSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000328533578 364868925 /nfs/dbraw/zinc/86/89/25/364868925.db2.gz ZCNUTKSFCHQFGP-FDYHWXHSSA-N 1 3 226.364 1.207 20 0 BDADHO CN(C)Cc1cccc(C[NH2+]CC(C)(C)O)c1 ZINC000574032669 364971415 /nfs/dbraw/zinc/97/14/15/364971415.db2.gz NZGXPDHUFYPOQC-UHFFFAOYSA-N 1 3 236.359 1.609 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590188 364964832 /nfs/dbraw/zinc/96/48/32/364964832.db2.gz ZCCDMXXTSCRRKS-RYUDHWBXSA-N 1 3 226.364 1.399 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCC2(CO)CCCC2)C1 ZINC000168590188 364964836 /nfs/dbraw/zinc/96/48/36/364964836.db2.gz ZCCDMXXTSCRRKS-RYUDHWBXSA-N 1 3 226.364 1.399 20 0 BDADHO CCOC[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000574084629 364984071 /nfs/dbraw/zinc/98/40/71/364984071.db2.gz PLBQRSQLMLIXLZ-NSHDSACASA-N 1 3 222.332 1.660 20 0 BDADHO NCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037713789 181383876 /nfs/dbraw/zinc/38/38/76/181383876.db2.gz ULNDGTBGXBLEII-CYBMUJFWSA-N 1 3 204.317 1.482 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CCC2(CC[NH2+]2)CC1 ZINC000574643916 365110732 /nfs/dbraw/zinc/11/07/32/365110732.db2.gz CQXATUXQYCLENY-CHWSQXEVSA-N 1 3 238.375 1.365 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000574822633 365153065 /nfs/dbraw/zinc/15/30/65/365153065.db2.gz MOKKYJXCCJBTQT-OCCSQVGLSA-N 1 3 233.359 1.792 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOC[C@H]1CCCO1 ZINC000575060264 365182824 /nfs/dbraw/zinc/18/28/24/365182824.db2.gz ARJWHJYZKZGABV-OLZOCXBDSA-N 1 3 244.379 1.145 20 0 BDADHO COC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCO1 ZINC000576052482 365466532 /nfs/dbraw/zinc/46/65/32/365466532.db2.gz MDOXNXJTVIXZCC-FVCCEPFGSA-N 1 3 242.363 1.040 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000576002981 365445300 /nfs/dbraw/zinc/44/53/00/365445300.db2.gz IHTONSIYTFQQKK-CHWFTXMASA-N 1 3 200.326 1.269 20 0 BDADHO C[C@H]1C[C@@H](NCCOCC2CCC2)CC[N@@H+]1C ZINC000576203766 365520061 /nfs/dbraw/zinc/52/00/61/365520061.db2.gz QKTZEQDOXVQSFT-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[C@@H](NCCOCC2CCC2)CC[N@H+]1C ZINC000576203766 365520070 /nfs/dbraw/zinc/52/00/70/365520070.db2.gz QKTZEQDOXVQSFT-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000380321512 367177692 /nfs/dbraw/zinc/17/76/92/367177692.db2.gz KPTWKOUKPQMKMT-AGIUHOORSA-N 1 3 210.365 1.962 20 0 BDADHO COC[C@@H]([NH2+]CC[C@H]1CCCN1C)C(C)C ZINC000381745153 367453301 /nfs/dbraw/zinc/45/33/01/367453301.db2.gz PWDVBEXTHIIRLC-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](NCC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000381745153 367453307 /nfs/dbraw/zinc/45/33/07/367453307.db2.gz PWDVBEXTHIIRLC-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](NCC[C@H]1CCC[N@H+]1C)C(C)C ZINC000381745153 367453314 /nfs/dbraw/zinc/45/33/14/367453314.db2.gz PWDVBEXTHIIRLC-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H]([NH2+]CCCNC1CC1)C1CCOCC1 ZINC000382581147 367544917 /nfs/dbraw/zinc/54/49/17/367544917.db2.gz MDSVFZVQDPJSHN-NSHDSACASA-N 1 3 226.364 1.533 20 0 BDADHO CN(C[C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]CC1 ZINC000383280610 367610861 /nfs/dbraw/zinc/61/08/61/367610861.db2.gz IJBYSJRBHCTZJV-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCNCC1 ZINC000383280610 367610866 /nfs/dbraw/zinc/61/08/66/367610866.db2.gz IJBYSJRBHCTZJV-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CCCNCC1 ZINC000383280610 367610870 /nfs/dbraw/zinc/61/08/70/367610870.db2.gz IJBYSJRBHCTZJV-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1cnccc1CN1CCC(CC[NH3+])CC1 ZINC000385034826 367776913 /nfs/dbraw/zinc/77/69/13/367776913.db2.gz LXANKJRKWAUGPG-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO CN(CCCOCC(F)(F)F)C1CC([NH3+])C1 ZINC000385091714 367788230 /nfs/dbraw/zinc/78/82/30/367788230.db2.gz YCWIFQLEQDRKLB-UHFFFAOYSA-N 1 3 240.269 1.377 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)CN1 ZINC000399192904 367897889 /nfs/dbraw/zinc/89/78/89/367897889.db2.gz QRJVCCLGOBOMHZ-YPMHNXCESA-N 1 3 237.391 1.343 20 0 BDADHO CCN(C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386575480 367993983 /nfs/dbraw/zinc/99/39/83/367993983.db2.gz NBHLPOKCNABZMG-NEPJUHHUSA-N 1 3 213.369 1.058 20 0 BDADHO C[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CCCCN1 ZINC000386586038 367997270 /nfs/dbraw/zinc/99/72/70/367997270.db2.gz PZCMJGMEUQLDAQ-ZJUUUORDSA-N 1 3 236.306 1.388 20 0 BDADHO C[C@H](NC[C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000386598727 368000388 /nfs/dbraw/zinc/00/03/88/368000388.db2.gz UCTBKQQUKXKCMU-SRVKXCTJSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CCO[C@H](C)C2)C[NH2+]1 ZINC000399255649 368047470 /nfs/dbraw/zinc/04/74/70/368047470.db2.gz ZRWMARUUHFEZHX-WYUUTHIRSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)CCO1 ZINC000623657231 368997143 /nfs/dbraw/zinc/99/71/43/368997143.db2.gz LSWQXAYDKFHDEC-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623655867 368991403 /nfs/dbraw/zinc/99/14/03/368991403.db2.gz HUQJDWARACYUHJ-HZSPNIEDSA-N 1 3 239.407 1.258 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](C)O)C[C@H]1C ZINC000459356595 203268162 /nfs/dbraw/zinc/26/81/62/203268162.db2.gz LNZMECABCNOBID-GRYCIOLGSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](C)O)C[C@H]1C ZINC000459356595 203268164 /nfs/dbraw/zinc/26/81/64/203268164.db2.gz LNZMECABCNOBID-GRYCIOLGSA-N 1 3 214.353 1.172 20 0 BDADHO CN(C)CC(C)(C)[NH2+]CC[C@@H]1CCCN1C ZINC000459551565 203298450 /nfs/dbraw/zinc/29/84/50/203298450.db2.gz SFUWGQBPACLPQI-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO C[C@H](C[S@](C)=O)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000252803748 370134116 /nfs/dbraw/zinc/13/41/16/370134116.db2.gz CBGNXDQGYRUZIW-UVWXRNBGSA-N 1 3 246.420 1.073 20 0 BDADHO Cn1cncc1CCCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867437 370229227 /nfs/dbraw/zinc/22/92/27/370229227.db2.gz UVYQNLJFDRONSY-OCCSQVGLSA-N 1 3 248.374 1.084 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000568261430 326336839 /nfs/dbraw/zinc/33/68/39/326336839.db2.gz UMEMEEMSPWFOBP-CHWSQXEVSA-N 1 3 226.364 1.172 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000568261430 326336841 /nfs/dbraw/zinc/33/68/41/326336841.db2.gz UMEMEEMSPWFOBP-CHWSQXEVSA-N 1 3 226.364 1.172 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000623867090 371134837 /nfs/dbraw/zinc/13/48/37/371134837.db2.gz QQJQFOGHRXIEGW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCCO2)C1 ZINC000623867090 371134840 /nfs/dbraw/zinc/13/48/40/371134840.db2.gz QQJQFOGHRXIEGW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCCO2)C1 ZINC000623867090 371134843 /nfs/dbraw/zinc/13/48/43/371134843.db2.gz QQJQFOGHRXIEGW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CCOC1 ZINC000624120537 371321326 /nfs/dbraw/zinc/32/13/26/371321326.db2.gz BKGAUVXZRUMSKN-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO COCC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121316 371321411 /nfs/dbraw/zinc/32/14/11/371321411.db2.gz SZQOJTOIUDOCBT-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000624124140 371324387 /nfs/dbraw/zinc/32/43/87/371324387.db2.gz YHYMGVRBLXJBCG-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000624124140 371324393 /nfs/dbraw/zinc/32/43/93/371324393.db2.gz YHYMGVRBLXJBCG-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@]2(CCOC2)C1 ZINC000163263215 371962273 /nfs/dbraw/zinc/96/22/73/371962273.db2.gz POZQOGOLHROHTF-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CC[C@]2(CCOC2)C1 ZINC000163263215 371962276 /nfs/dbraw/zinc/96/22/76/371962276.db2.gz POZQOGOLHROHTF-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO C([C@@H]1CCCCO1)[N@H+](C1CC1)C1CCNCC1 ZINC000631820778 372592997 /nfs/dbraw/zinc/59/29/97/372592997.db2.gz FWMSZRLIXCGLQU-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO C([C@@H]1CCCCO1)[N@@H+](C1CC1)C1CCNCC1 ZINC000631820778 372593001 /nfs/dbraw/zinc/59/30/01/372593001.db2.gz FWMSZRLIXCGLQU-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829638 372611135 /nfs/dbraw/zinc/61/11/35/372611135.db2.gz WNSIVSKVZWOFPN-RFGFWPKPSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829638 372611139 /nfs/dbraw/zinc/61/11/39/372611139.db2.gz WNSIVSKVZWOFPN-RFGFWPKPSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000631829657 372613226 /nfs/dbraw/zinc/61/32/26/372613226.db2.gz WZYAIWYTKQNGMI-YIYPIFLZSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000631829657 372613229 /nfs/dbraw/zinc/61/32/29/372613229.db2.gz WZYAIWYTKQNGMI-YIYPIFLZSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000631830531 372613354 /nfs/dbraw/zinc/61/33/54/372613354.db2.gz UZRMBZNSXJWZLB-LOWDOPEQSA-N 1 3 224.348 1.225 20 0 BDADHO N[C@@H]1CCCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000631834692 372620190 /nfs/dbraw/zinc/62/01/90/372620190.db2.gz DEXKVVSEUQDOAF-CHWSQXEVSA-N 1 3 226.364 1.759 20 0 BDADHO N[C@@H]1CCCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000631834692 372620197 /nfs/dbraw/zinc/62/01/97/372620197.db2.gz DEXKVVSEUQDOAF-CHWSQXEVSA-N 1 3 226.364 1.759 20 0 BDADHO C[C@H](c1cccnc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841053 372637829 /nfs/dbraw/zinc/63/78/29/372637829.db2.gz XNCBJRYFVSRNOG-NQBHXWOUSA-N 1 3 219.332 1.669 20 0 BDADHO C([C@H]1CCCCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890095 372685888 /nfs/dbraw/zinc/68/58/88/372685888.db2.gz MCWNEHULHGQGNZ-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631890095 372685893 /nfs/dbraw/zinc/68/58/93/372685893.db2.gz MCWNEHULHGQGNZ-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631890095 372685903 /nfs/dbraw/zinc/68/59/03/372685903.db2.gz MCWNEHULHGQGNZ-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369347 206038555 /nfs/dbraw/zinc/03/85/55/206038555.db2.gz BLIXVLYXMKMZPY-LNFKQOIKSA-N 1 3 200.326 1.269 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378132 206039003 /nfs/dbraw/zinc/03/90/03/206039003.db2.gz SFCSOMCDABTUED-MROQNXINSA-N 1 3 208.349 1.892 20 0 BDADHO CCNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425893750 206046001 /nfs/dbraw/zinc/04/60/01/206046001.db2.gz DZQSKVQVEUAFTA-UHFFFAOYSA-N 1 3 209.293 1.251 20 0 BDADHO CCCN(C)CC(=O)NCCC[N@H+](C)C(C)C ZINC000359340640 169070569 /nfs/dbraw/zinc/07/05/69/169070569.db2.gz LGLBLIXXXYYHLM-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000359340640 169070571 /nfs/dbraw/zinc/07/05/71/169070571.db2.gz LGLBLIXXXYYHLM-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336701867 169077383 /nfs/dbraw/zinc/07/73/83/169077383.db2.gz JYTVYSSVAOGTKD-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336701867 169077384 /nfs/dbraw/zinc/07/73/84/169077384.db2.gz JYTVYSSVAOGTKD-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128026242 183189438 /nfs/dbraw/zinc/18/94/38/183189438.db2.gz LQGUNSNPUSZUJB-YIYPIFLZSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128026242 183189439 /nfs/dbraw/zinc/18/94/39/183189439.db2.gz LQGUNSNPUSZUJB-YIYPIFLZSA-N 1 3 238.375 1.506 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)CC(C)C ZINC000226406809 169120333 /nfs/dbraw/zinc/12/03/33/169120333.db2.gz NCHATSLYTYTWDX-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)CC(C)C ZINC000226406809 169120335 /nfs/dbraw/zinc/12/03/35/169120335.db2.gz NCHATSLYTYTWDX-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[NH+]1CCC(CNCc2ncc[nH]2)CC1 ZINC000066593900 169186421 /nfs/dbraw/zinc/18/64/21/169186421.db2.gz HVGNWGVHUZMBET-UHFFFAOYSA-N 1 3 236.363 1.621 20 0 BDADHO c1n[nH]c2c1CCC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000333234861 183320194 /nfs/dbraw/zinc/32/01/94/183320194.db2.gz CVHAWEYMLGWHQH-RYUDHWBXSA-N 1 3 234.347 1.519 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](OC)C2CC2)CC1 ZINC000340489144 169188079 /nfs/dbraw/zinc/18/80/79/169188079.db2.gz QYKMBRLNJUIQBQ-AWEZNQCLSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000336764431 169209261 /nfs/dbraw/zinc/20/92/61/169209261.db2.gz PXSSUWJPSMANDS-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256498 169211423 /nfs/dbraw/zinc/21/14/23/169211423.db2.gz LGGQIRCURAUPAC-UPJWGTAASA-N 1 3 208.349 1.813 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256498 169211424 /nfs/dbraw/zinc/21/14/24/169211424.db2.gz LGGQIRCURAUPAC-UPJWGTAASA-N 1 3 208.349 1.813 20 0 BDADHO c1ccc(CC[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000041231977 183392695 /nfs/dbraw/zinc/39/26/95/183392695.db2.gz SWSMFPHBGCLFFH-CQSZACIVSA-N 1 3 218.344 1.818 20 0 BDADHO c1ccc(CCNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000041231977 183392698 /nfs/dbraw/zinc/39/26/98/183392698.db2.gz SWSMFPHBGCLFFH-CQSZACIVSA-N 1 3 218.344 1.818 20 0 BDADHO CCC[C@@H](N)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000236899698 169386636 /nfs/dbraw/zinc/38/66/36/169386636.db2.gz IQUYIFHMJYHYBV-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](C)N(C)CC[NH2+]C1CCN(C)CC1 ZINC000226318232 134360356 /nfs/dbraw/zinc/36/03/56/134360356.db2.gz OJZHXRFVNMJZQX-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745125 134370666 /nfs/dbraw/zinc/37/06/66/134370666.db2.gz DHBJZWXZOPLNFW-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313090356 383867341 /nfs/dbraw/zinc/86/73/41/383867341.db2.gz ACQLIBKQBBEQLB-MQYQWHSLSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313090356 383867345 /nfs/dbraw/zinc/86/73/45/383867345.db2.gz ACQLIBKQBBEQLB-MQYQWHSLSA-N 1 3 240.391 1.752 20 0 BDADHO COC[C@@H](C)C[NH2+]CCCN(C)C(C)C ZINC000220565350 383883011 /nfs/dbraw/zinc/88/30/11/383883011.db2.gz BAKNOOMEROTBOI-LBPRGKRZSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@H]([NH3+])C1CCN(CCC(F)(F)F)CC1 ZINC000070911473 383960092 /nfs/dbraw/zinc/96/00/92/383960092.db2.gz ZQWWCAGQUKFESP-QMMMGPOBSA-N 1 3 224.270 1.998 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)O1 ZINC000643548388 384035831 /nfs/dbraw/zinc/03/58/31/384035831.db2.gz OPNGYRFNHITFTH-VOAKCMCISA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@H](C)O1 ZINC000643548388 384035837 /nfs/dbraw/zinc/03/58/37/384035837.db2.gz OPNGYRFNHITFTH-VOAKCMCISA-N 1 3 238.375 1.817 20 0 BDADHO N[C@@H](CC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000569455531 384060997 /nfs/dbraw/zinc/06/09/97/384060997.db2.gz JWQRYHWOIUMACO-ZDUSSCGKSA-N 1 3 247.342 1.026 20 0 BDADHO Cn1cc(CCC[NH2+]CC2=CCN(C)CC2)cn1 ZINC000314550146 384114188 /nfs/dbraw/zinc/11/41/88/384114188.db2.gz RTQALPVHTKUVDT-UHFFFAOYSA-N 1 3 248.374 1.204 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000569503107 384136067 /nfs/dbraw/zinc/13/60/67/384136067.db2.gz NUIYAPVASXGNNK-GRYCIOLGSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000569503107 384136070 /nfs/dbraw/zinc/13/60/70/384136070.db2.gz NUIYAPVASXGNNK-GRYCIOLGSA-N 1 3 214.353 1.253 20 0 BDADHO CN(C)CCSCC[NH+]1CCCCC1 ZINC000007056147 384172982 /nfs/dbraw/zinc/17/29/82/384172982.db2.gz KGWZHXLPGRAGRL-UHFFFAOYSA-N 1 3 216.394 1.767 20 0 BDADHO C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])N1CCCCCC1 ZINC000237437055 384195375 /nfs/dbraw/zinc/19/53/75/384195375.db2.gz RUBNPIMIOAYDKZ-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC2(OC)CCCC2)C1 ZINC000319461191 384250214 /nfs/dbraw/zinc/25/02/14/384250214.db2.gz OZHIJWLRROJZPT-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CNC[C@@H]1CCC[N@H+](CC2(OC)CCCC2)C1 ZINC000319461191 384250218 /nfs/dbraw/zinc/25/02/18/384250218.db2.gz OZHIJWLRROJZPT-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000319461191 384250222 /nfs/dbraw/zinc/25/02/22/384250222.db2.gz OZHIJWLRROJZPT-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN(CCC3(O)CCC3)C2)C1 ZINC000335473944 384290708 /nfs/dbraw/zinc/29/07/08/384290708.db2.gz FWAYGLLNKLFXNB-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN(CCC3(O)CCC3)C2)C1 ZINC000335473944 384290709 /nfs/dbraw/zinc/29/07/09/384290709.db2.gz FWAYGLLNKLFXNB-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO CC(C)(C)CN(CCO)C[C@H]1CCC[NH2+]C1 ZINC000647515762 384457872 /nfs/dbraw/zinc/45/78/72/384457872.db2.gz KQKNLXKPMNTZNA-LBPRGKRZSA-N 1 3 228.380 1.326 20 0 BDADHO CC(C)(C)C[N@H+](CCO)C[C@H]1CCCNC1 ZINC000647515762 384457875 /nfs/dbraw/zinc/45/78/75/384457875.db2.gz KQKNLXKPMNTZNA-LBPRGKRZSA-N 1 3 228.380 1.326 20 0 BDADHO CC(C)(C)C[N@@H+](CCO)C[C@H]1CCCNC1 ZINC000647515762 384457880 /nfs/dbraw/zinc/45/78/80/384457880.db2.gz KQKNLXKPMNTZNA-LBPRGKRZSA-N 1 3 228.380 1.326 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CO[C@@H](C)C2)C1 ZINC000647177220 384500640 /nfs/dbraw/zinc/50/06/40/384500640.db2.gz QHRFXOFCQUNNFZ-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CO[C@@H](C)C2)C1 ZINC000647177220 384500644 /nfs/dbraw/zinc/50/06/44/384500644.db2.gz QHRFXOFCQUNNFZ-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000647179658 384531100 /nfs/dbraw/zinc/53/11/00/384531100.db2.gz KCGNELDTOIMMPQ-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647179658 384531106 /nfs/dbraw/zinc/53/11/06/384531106.db2.gz KCGNELDTOIMMPQ-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647179658 384531108 /nfs/dbraw/zinc/53/11/08/384531108.db2.gz KCGNELDTOIMMPQ-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)[C@H](C)CC ZINC000236712409 384558668 /nfs/dbraw/zinc/55/86/68/384558668.db2.gz OQKSSRZMUJCFNW-NEPJUHHUSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)[C@H](C)CC ZINC000236712409 384558678 /nfs/dbraw/zinc/55/86/78/384558678.db2.gz OQKSSRZMUJCFNW-NEPJUHHUSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H](C)Cn1cccn1 ZINC000309738874 384568455 /nfs/dbraw/zinc/56/84/55/384568455.db2.gz HEIMYJVRQFWIKJ-NEPJUHHUSA-N 1 3 224.352 1.201 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@@H](C)O)CC1 ZINC000171594678 384611000 /nfs/dbraw/zinc/61/10/00/384611000.db2.gz JHMDXFKPOHALEN-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@H](OCC)C12CCC2 ZINC000564822253 384631717 /nfs/dbraw/zinc/63/17/17/384631717.db2.gz JHZAAUBEBFFVBM-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271847171 384647540 /nfs/dbraw/zinc/64/75/40/384647540.db2.gz ICFVOBFNIUIVTE-NSHDSACASA-N 1 3 234.347 1.333 20 0 BDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271847171 384647543 /nfs/dbraw/zinc/64/75/43/384647543.db2.gz ICFVOBFNIUIVTE-NSHDSACASA-N 1 3 234.347 1.333 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCC12CCC2 ZINC000309836331 384651257 /nfs/dbraw/zinc/65/12/57/384651257.db2.gz BENXHTIUBMTAAF-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CCC1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309619457 384656033 /nfs/dbraw/zinc/65/60/33/384656033.db2.gz CUPZQTZITFTBBC-WXRRBKDZSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](NC(=O)[C@H](C)N1CCCCCC1)[C@H](C)[NH3+] ZINC000449604762 384693929 /nfs/dbraw/zinc/69/39/29/384693929.db2.gz UPEILVXZBCFEJI-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@@H]1CCCNC1 ZINC000423221236 384779096 /nfs/dbraw/zinc/77/90/96/384779096.db2.gz ZLCUXBNLKABNEC-RTXFEEFZSA-N 1 3 208.349 1.764 20 0 BDADHO C[NH+]1CCC(CN[C@@H]2CCn3ccnc32)CC1 ZINC000335953903 384735866 /nfs/dbraw/zinc/73/58/66/384735866.db2.gz GXVIGQLBZFOWRO-GFCCVEGCSA-N 1 3 234.347 1.259 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647549877 384748318 /nfs/dbraw/zinc/74/83/18/384748318.db2.gz WKCWKXKITFJVCU-HZSPNIEDSA-N 1 3 239.407 1.448 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1C[NH2+]C[C@H](C)C1 ZINC000647549879 384748552 /nfs/dbraw/zinc/74/85/52/384748552.db2.gz WKCWKXKITFJVCU-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1(C)C ZINC000310100022 384832616 /nfs/dbraw/zinc/83/26/16/384832616.db2.gz BBLJPVKBPHAGGU-JHJVBQTASA-N 1 3 242.407 1.977 20 0 BDADHO c1ccc(COCCNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000390011223 384807230 /nfs/dbraw/zinc/80/72/30/384807230.db2.gz JDKAEBOCEAMTET-OAHLLOKOSA-N 1 3 248.370 1.792 20 0 BDADHO c1ccc(COCC[NH2+]C[C@@H]2CCCNC2)cc1 ZINC000390011223 384807236 /nfs/dbraw/zinc/80/72/36/384807236.db2.gz JDKAEBOCEAMTET-OAHLLOKOSA-N 1 3 248.370 1.792 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[C@@H]1C1CC1 ZINC000423363678 384841048 /nfs/dbraw/zinc/84/10/48/384841048.db2.gz UVWDXGNQIWFQFI-JHJVBQTASA-N 1 3 208.349 1.907 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCOC(F)(F)F ZINC000398258111 384867863 /nfs/dbraw/zinc/86/78/63/384867863.db2.gz RNGIGEMYBRRPAL-HTQZYQBOSA-N 1 3 226.242 1.240 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000398258111 384867865 /nfs/dbraw/zinc/86/78/65/384867865.db2.gz RNGIGEMYBRRPAL-HTQZYQBOSA-N 1 3 226.242 1.240 20 0 BDADHO CCC[NH+](CCC)CCCN[C@H](C)[C@@H](C)O ZINC000644543964 384953945 /nfs/dbraw/zinc/95/39/45/384953945.db2.gz DSLJGZZMQDYFPS-CHWSQXEVSA-N 1 3 230.396 1.857 20 0 BDADHO CCCC[NH+]1CCC(NC[C@@H](C)O)CC1 ZINC000644557040 384958323 /nfs/dbraw/zinc/95/83/23/384958323.db2.gz WVSYOJYOQPPPAM-LLVKDONJSA-N 1 3 214.353 1.221 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336145830 384923173 /nfs/dbraw/zinc/92/31/73/384923173.db2.gz NKWMORNLNRXPAB-GXTWGEPZSA-N 1 3 237.391 1.178 20 0 BDADHO C[NH+]1CCC(CNCc2ccns2)CC1 ZINC000404456057 385004068 /nfs/dbraw/zinc/00/40/68/385004068.db2.gz PISBPBVXBZTZIJ-UHFFFAOYSA-N 1 3 225.361 1.575 20 0 BDADHO Cc1nc(CCNC[C@]2(C)CC[NH2+]C2)cs1 ZINC000226467893 385016391 /nfs/dbraw/zinc/01/63/91/385016391.db2.gz DSCBBBRTZOWWLO-LBPRGKRZSA-N 1 3 239.388 1.583 20 0 BDADHO CCSCCN1CCCC[C@@H]1CC[NH3+] ZINC000130007509 385017201 /nfs/dbraw/zinc/01/72/01/385017201.db2.gz UYALTSQUKJDBFK-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCSCC[N@@H+]1CCCC[C@@H]1CCN ZINC000130007509 385017209 /nfs/dbraw/zinc/01/72/09/385017209.db2.gz UYALTSQUKJDBFK-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCSCC[N@H+]1CCCC[C@@H]1CCN ZINC000130007509 385017211 /nfs/dbraw/zinc/01/72/11/385017211.db2.gz UYALTSQUKJDBFK-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CC(C)CCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000310536680 385110626 /nfs/dbraw/zinc/11/06/26/385110626.db2.gz RLFHAYQBMCWSJB-MELADBBJSA-N 1 3 240.391 1.718 20 0 BDADHO FC1(CN2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000568883143 385098104 /nfs/dbraw/zinc/09/81/04/385098104.db2.gz RRMXAVDYSFQYSV-GFCCVEGCSA-N 1 3 226.339 1.810 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCC[C@@H]1CCCO1 ZINC000404844523 385104858 /nfs/dbraw/zinc/10/48/58/385104858.db2.gz OJDMYHCZZKTFAQ-AXFHLTTASA-N 1 3 212.337 1.271 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422715473 385195417 /nfs/dbraw/zinc/19/54/17/385195417.db2.gz MHVAQNMIELSCDK-BFHYXJOUSA-N 1 3 241.423 1.966 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000062113542 385157054 /nfs/dbraw/zinc/15/70/54/385157054.db2.gz VPSZJUSUQTZCIY-LBPRGKRZSA-N 1 3 247.342 1.296 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000252712654 385211809 /nfs/dbraw/zinc/21/18/09/385211809.db2.gz MZQCBTLRXTZREW-FRRDWIJNSA-N 1 3 225.380 1.010 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCCC[NH+](CC)CC ZINC000037621299 385232325 /nfs/dbraw/zinc/23/23/25/385232325.db2.gz HGAYAKBRTNPRGR-CYBMUJFWSA-N 1 3 243.395 1.352 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000308962108 385314740 /nfs/dbraw/zinc/31/47/40/385314740.db2.gz ZZQAFPWNJXECMF-UTUOFQBUSA-N 1 3 214.353 1.519 20 0 BDADHO COC[C@H](NC[C@H](C)C[NH+](C)C)C1CC1 ZINC000308902992 385273823 /nfs/dbraw/zinc/27/38/23/385273823.db2.gz KQPVYRUOAKCURK-JQWIXIFHSA-N 1 3 214.353 1.199 20 0 BDADHO CCOC[C@@H]1CCCN(CCC[NH3+])C1 ZINC000409425674 385333291 /nfs/dbraw/zinc/33/32/91/385333291.db2.gz GLNVIOLIMUBKJY-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO C[C@H]1C[C@@H](NCCOC(F)(F)F)CC[N@@H+]1C ZINC000158226197 385370427 /nfs/dbraw/zinc/37/04/27/385370427.db2.gz YZMAXNISVMVEHE-IUCAKERBSA-N 1 3 240.269 1.595 20 0 BDADHO C[C@H]1C[C@@H](NCCOC(F)(F)F)CC[N@H+]1C ZINC000158226197 385370430 /nfs/dbraw/zinc/37/04/30/385370430.db2.gz YZMAXNISVMVEHE-IUCAKERBSA-N 1 3 240.269 1.595 20 0 BDADHO CC1(C)[C@H](NCCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000405237793 385391357 /nfs/dbraw/zinc/39/13/57/385391357.db2.gz URADVVMSVBHESR-UONOGXRCSA-N 1 3 248.370 1.919 20 0 BDADHO CC1(C)[C@H]([NH2+]CCOCc2ccccc2)C[C@@H]1N ZINC000405237793 385391360 /nfs/dbraw/zinc/39/13/60/385391360.db2.gz URADVVMSVBHESR-UONOGXRCSA-N 1 3 248.370 1.919 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000644072848 385420399 /nfs/dbraw/zinc/42/03/99/385420399.db2.gz KCFJNPHOBMKFAM-BXKDBHETSA-N 1 3 247.342 1.643 20 0 BDADHO CCCCN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309130611 385430501 /nfs/dbraw/zinc/43/05/01/385430501.db2.gz XSZNQKJCHDHKJU-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO CCCCN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309130611 385430505 /nfs/dbraw/zinc/43/05/05/385430505.db2.gz XSZNQKJCHDHKJU-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO CO[C@H](C)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182187420 385433229 /nfs/dbraw/zinc/43/32/29/385433229.db2.gz ZXSAYAPZPNXNSJ-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CO[C@H](C)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182187420 385433231 /nfs/dbraw/zinc/43/32/31/385433231.db2.gz ZXSAYAPZPNXNSJ-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CC(C)CCOCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405315201 385483088 /nfs/dbraw/zinc/48/30/88/385483088.db2.gz OYJSJGZANMMTTF-NEPJUHHUSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CCOCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000405315201 385483090 /nfs/dbraw/zinc/48/30/90/385483090.db2.gz OYJSJGZANMMTTF-NEPJUHHUSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]([NH2+]CCc1cncn1C)[C@H]1CCCCN1 ZINC000401649591 385492463 /nfs/dbraw/zinc/49/24/63/385492463.db2.gz OHHBYJNZPBCXHB-DGCLKSJQSA-N 1 3 236.363 1.083 20 0 BDADHO CN(CCC1CC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309465119 385595721 /nfs/dbraw/zinc/59/57/21/385595721.db2.gz SNRGICZWQKWIBL-ZDUSSCGKSA-N 1 3 226.364 1.173 20 0 BDADHO CN(CCC1CC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309465119 385595722 /nfs/dbraw/zinc/59/57/22/385595722.db2.gz SNRGICZWQKWIBL-ZDUSSCGKSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CCCNC1 ZINC000414849101 385617798 /nfs/dbraw/zinc/61/77/98/385617798.db2.gz HDDLHIHCJWVYKQ-QJPTWQEYSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](N[C@@H]1CCCSC1)[C@@H]1CCC[NH2+]C1 ZINC000414849101 385617802 /nfs/dbraw/zinc/61/78/02/385617802.db2.gz HDDLHIHCJWVYKQ-QJPTWQEYSA-N 1 3 228.405 1.860 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000647793774 385728909 /nfs/dbraw/zinc/72/89/09/385728909.db2.gz HXRKPLKLJQOFMJ-JHJVBQTASA-N 1 3 246.358 1.263 20 0 BDADHO C[C@@H](CC1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000414858976 385733841 /nfs/dbraw/zinc/73/38/41/385733841.db2.gz AEKRGUPVJVTENX-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO CNCCC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414859779 385739349 /nfs/dbraw/zinc/73/93/49/385739349.db2.gz NSZCNFUVNRKEOV-LBPRGKRZSA-N 1 3 228.380 1.638 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1ccccc1OC ZINC000414861064 385744965 /nfs/dbraw/zinc/74/49/65/385744965.db2.gz RIVDWOOXDIDZKD-GFCCVEGCSA-N 1 3 236.359 1.825 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]CCCNC)CCO1 ZINC000414861650 385751909 /nfs/dbraw/zinc/75/19/09/385751909.db2.gz SPXBEOQWERFWER-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccn(C)n1 ZINC000647799763 385802088 /nfs/dbraw/zinc/80/20/88/385802088.db2.gz QDFCBAAQPXBKOB-WUHRBBMRSA-N 1 3 248.374 1.459 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)CCO1 ZINC000414950899 385819686 /nfs/dbraw/zinc/81/96/86/385819686.db2.gz PEARLJAUWGVNME-SYQHCUMBSA-N 1 3 240.391 1.920 20 0 BDADHO Cc1noc(C)c1CNCCC[C@@H]1CCC[NH2+]1 ZINC000337928631 385827941 /nfs/dbraw/zinc/82/79/41/385827941.db2.gz RDPZURAOXHKEBH-GFCCVEGCSA-N 1 3 237.347 1.913 20 0 BDADHO CCC1(C[NH2+][C@H]2CCN[C@@H](C)C2)CCOCC1 ZINC000414954099 385834157 /nfs/dbraw/zinc/83/41/57/385834157.db2.gz SFDOTRAKNBOMHH-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CCOCC1 ZINC000414954097 385834818 /nfs/dbraw/zinc/83/48/18/385834818.db2.gz SFDOTRAKNBOMHH-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC000112310182 385839662 /nfs/dbraw/zinc/83/96/62/385839662.db2.gz HCDJZPXXJXULDS-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC000112310182 385839665 /nfs/dbraw/zinc/83/96/65/385839665.db2.gz HCDJZPXXJXULDS-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO COC[C@@]1(CN[C@@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962400 385891297 /nfs/dbraw/zinc/89/12/97/385891297.db2.gz WBCDHRZYYSKBCY-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC[C@H]1CCCCO1 ZINC000308880163 385902526 /nfs/dbraw/zinc/90/25/26/385902526.db2.gz VLCJCVCNJPKBNV-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000414876600 385908501 /nfs/dbraw/zinc/90/85/01/385908501.db2.gz LTUDCHJYNZLMRB-QWRGUYRKSA-N 1 3 224.323 1.941 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccccc1F ZINC000414876600 385908506 /nfs/dbraw/zinc/90/85/06/385908506.db2.gz LTUDCHJYNZLMRB-QWRGUYRKSA-N 1 3 224.323 1.941 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)CN)CC2 ZINC000414873672 385878214 /nfs/dbraw/zinc/87/82/14/385878214.db2.gz HSPSCQZOVMTXCT-BXUZGUMPSA-N 1 3 248.370 1.737 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CC(C(F)(F)F)C1 ZINC000335018958 385977708 /nfs/dbraw/zinc/97/77/08/385977708.db2.gz XYKURWZWBFPYOB-WOOKNIGNSA-N 1 3 236.281 1.915 20 0 BDADHO COc1cc(C[NH2+]C[C@@H](N)C2CC2)ccc1C ZINC000414881300 385995040 /nfs/dbraw/zinc/99/50/40/385995040.db2.gz AEUBABNNYZPEJU-CYBMUJFWSA-N 1 3 234.343 1.831 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](OC)C2CC2)C1 ZINC000425417307 385992719 /nfs/dbraw/zinc/99/27/19/385992719.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](OC)C2CC2)C1 ZINC000425417307 385992723 /nfs/dbraw/zinc/99/27/23/385992723.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000425417307 385992729 /nfs/dbraw/zinc/99/27/29/385992729.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425417307 385992732 /nfs/dbraw/zinc/99/27/32/385992732.db2.gz HKGOQSWKQQNBCI-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC000342088595 385937164 /nfs/dbraw/zinc/93/71/64/385937164.db2.gz ADRCXNCNJJPVPY-BFHYXJOUSA-N 1 3 238.375 1.472 20 0 BDADHO CC[NH2+][C@H](C)CNCC[C@H]1CCOC1 ZINC000414967503 385947566 /nfs/dbraw/zinc/94/75/66/385947566.db2.gz XKKYVTLCQAKNHQ-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO Cc1cccc(C)c1CNC[C@H](C)C[NH3+] ZINC000414879858 385951086 /nfs/dbraw/zinc/95/10/86/385951086.db2.gz PZIWNXVVRIISAH-SNVBAGLBSA-N 1 3 206.333 1.988 20 0 BDADHO COc1ncc(CNCCCC[NH+](C)C)s1 ZINC000309265064 385999894 /nfs/dbraw/zinc/99/98/94/385999894.db2.gz COOFIDXRCGYBAF-UHFFFAOYSA-N 1 3 243.376 1.583 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCNC1)CC1CCOCC1 ZINC000414882391 386012390 /nfs/dbraw/zinc/01/23/90/386012390.db2.gz MHZCKWUBPSYYSR-AAEUAGOBSA-N 1 3 226.364 1.391 20 0 BDADHO COC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000309637898 386020366 /nfs/dbraw/zinc/02/03/66/386020366.db2.gz JXEZGKXPLVODAA-TXEJJXNPSA-N 1 3 224.348 1.097 20 0 BDADHO CSC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404930 386079735 /nfs/dbraw/zinc/07/97/35/386079735.db2.gz RLQJCHUSQOKUTO-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO CSC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404930 386079740 /nfs/dbraw/zinc/07/97/40/386079740.db2.gz RLQJCHUSQOKUTO-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCC2OCCO2)CC1 ZINC000365407310 386080185 /nfs/dbraw/zinc/08/01/85/386080185.db2.gz ZOPBMJUBVNKQCW-LBPRGKRZSA-N 1 3 242.363 1.166 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000365407310 386080189 /nfs/dbraw/zinc/08/01/89/386080189.db2.gz ZOPBMJUBVNKQCW-LBPRGKRZSA-N 1 3 242.363 1.166 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000365407310 386080193 /nfs/dbraw/zinc/08/01/93/386080193.db2.gz ZOPBMJUBVNKQCW-LBPRGKRZSA-N 1 3 242.363 1.166 20 0 BDADHO COC[C@@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365424651 386087807 /nfs/dbraw/zinc/08/78/07/386087807.db2.gz XWPINOSWNHDECU-VXGBXAGGSA-N 1 3 214.353 1.437 20 0 BDADHO COC[C@@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365424651 386087812 /nfs/dbraw/zinc/08/78/12/386087812.db2.gz XWPINOSWNHDECU-VXGBXAGGSA-N 1 3 214.353 1.437 20 0 BDADHO Cc1ccccc1C[NH2+]C[C@@H](N)C1CC1 ZINC000414890494 386133957 /nfs/dbraw/zinc/13/39/57/386133957.db2.gz HKNJKMVKKPVVTN-CYBMUJFWSA-N 1 3 204.317 1.822 20 0 BDADHO CC[C@@H]([NH3+])CNCCCc1ccc2c(c1)CCO2 ZINC000414990110 386143083 /nfs/dbraw/zinc/14/30/83/386143083.db2.gz OSENLSHZAYMIJR-CQSZACIVSA-N 1 3 248.370 1.881 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414706024 386220058 /nfs/dbraw/zinc/22/00/58/386220058.db2.gz OFTDSZWOFVUFQU-XQQFMLRXSA-N 1 3 240.391 1.861 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414706024 386220063 /nfs/dbraw/zinc/22/00/63/386220063.db2.gz OFTDSZWOFVUFQU-XQQFMLRXSA-N 1 3 240.391 1.861 20 0 BDADHO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414714088 386239513 /nfs/dbraw/zinc/23/95/13/386239513.db2.gz WZBYINXMVXJPGA-WCQYABFASA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414714088 386239514 /nfs/dbraw/zinc/23/95/14/386239514.db2.gz WZBYINXMVXJPGA-WCQYABFASA-N 1 3 242.363 1.245 20 0 BDADHO COCCN(C[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000647883385 386245529 /nfs/dbraw/zinc/24/55/29/386245529.db2.gz MXRXNAUIUZFUEM-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cnn1C ZINC000415003272 386253758 /nfs/dbraw/zinc/25/37/58/386253758.db2.gz FQIYQEIOKWKQKT-UONOGXRCSA-N 1 3 248.374 1.206 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)COC1 ZINC000393959545 386258910 /nfs/dbraw/zinc/25/89/10/386258910.db2.gz BESVJSFVJQOXSD-VXGBXAGGSA-N 1 3 226.364 1.520 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCC([C@H]2CCCO2)CC1 ZINC000647988757 386318453 /nfs/dbraw/zinc/31/84/53/386318453.db2.gz IGFJSTFNIFFJTI-GXTWGEPZSA-N 1 3 238.375 1.487 20 0 BDADHO COC1CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000414900018 386265221 /nfs/dbraw/zinc/26/52/21/386265221.db2.gz CZACTXXIQAQAHZ-JXQTWKCFSA-N 1 3 240.391 1.923 20 0 BDADHO CCCO[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647884536 386268177 /nfs/dbraw/zinc/26/81/77/386268177.db2.gz BTAHZJXPLOCNPN-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@H](C)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000336682269 386341139 /nfs/dbraw/zinc/34/11/39/386341139.db2.gz JIZAJPNDZDJXSE-NEPJUHHUSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@H](C)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000336682269 386341145 /nfs/dbraw/zinc/34/11/45/386341145.db2.gz JIZAJPNDZDJXSE-NEPJUHHUSA-N 1 3 214.353 1.437 20 0 BDADHO Cc1cnc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000335278665 386346681 /nfs/dbraw/zinc/34/66/81/386346681.db2.gz MGUJPUSZYSMIHK-LLVKDONJSA-N 1 3 249.358 1.947 20 0 BDADHO C[C@H](Cn1cccn1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414905086 386352848 /nfs/dbraw/zinc/35/28/48/386352848.db2.gz LDYPBXAAQLCJPO-CHWSQXEVSA-N 1 3 236.363 1.251 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905086 386352853 /nfs/dbraw/zinc/35/28/53/386352853.db2.gz LDYPBXAAQLCJPO-CHWSQXEVSA-N 1 3 236.363 1.251 20 0 BDADHO C[C@]1(C[NH2+]C[C@@H]2CCCOC2)CCCNC1 ZINC000414902898 386326944 /nfs/dbraw/zinc/32/69/44/386326944.db2.gz HVJDSVNONMEFHV-STQMWFEESA-N 1 3 226.364 1.392 20 0 BDADHO CCC[C@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236938664 386328046 /nfs/dbraw/zinc/32/80/46/386328046.db2.gz IWFKIMLDJZCUTD-LBPRGKRZSA-N 1 3 235.331 1.472 20 0 BDADHO COCC(C)(C)CNCC[C@H]1CCC[NH2+]1 ZINC000414902945 386328501 /nfs/dbraw/zinc/32/85/01/386328501.db2.gz IYFBHQIZTXSFQS-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO Cc1c[nH]nc1CN1CCC[C@H](CC[NH3+])C1 ZINC000414742903 386329770 /nfs/dbraw/zinc/32/97/70/386329770.db2.gz UQKVXOMJVGDKIO-LLVKDONJSA-N 1 3 222.336 1.279 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677914 386329799 /nfs/dbraw/zinc/32/97/99/386329799.db2.gz ACYQAHLJMIWIHS-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677914 386329805 /nfs/dbraw/zinc/32/98/05/386329805.db2.gz ACYQAHLJMIWIHS-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C(C)(C)C)C1 ZINC000336677914 386329808 /nfs/dbraw/zinc/32/98/08/386329808.db2.gz ACYQAHLJMIWIHS-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)C(C)(C)C)C1 ZINC000336677914 386329811 /nfs/dbraw/zinc/32/98/11/386329811.db2.gz ACYQAHLJMIWIHS-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO Cc1ccc(-c2n[nH]cc2CN[C@H](C)CC[NH3+])o1 ZINC000414902539 386329973 /nfs/dbraw/zinc/32/99/73/386329973.db2.gz YOXKJPTVIUIZAX-SECBINFHSA-N 1 3 248.330 1.805 20 0 BDADHO CC(C)[C@H](O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000336684010 386331648 /nfs/dbraw/zinc/33/16/48/386331648.db2.gz CPCPPGLJZLPUEB-CQSZACIVSA-N 1 3 242.407 1.808 20 0 BDADHO CC[C@H]1C[C@H](CN(C)C2CC([NH3+])C2)CCO1 ZINC000414768080 386442440 /nfs/dbraw/zinc/44/24/40/386442440.db2.gz HEWVPTLLSVDGHJ-XVSSEFHLSA-N 1 3 226.364 1.613 20 0 BDADHO COC[C@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000336775478 386388501 /nfs/dbraw/zinc/38/85/01/386388501.db2.gz ZEBSWOZAQZDGMW-ZDUSSCGKSA-N 1 3 224.348 1.263 20 0 BDADHO COCC[N@H+](CC[C@@H]1CCCN1C)C1CC1 ZINC000336705526 386395683 /nfs/dbraw/zinc/39/56/83/386395683.db2.gz QTCUETDXZXBPMC-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO COCC[N@@H+](CC[C@@H]1CCCN1C)C1CC1 ZINC000336705526 386395686 /nfs/dbraw/zinc/39/56/86/386395686.db2.gz QTCUETDXZXBPMC-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO CCC[C@@]1(CO)CCCN1C[C@H]([NH3+])CC(C)C ZINC000414756515 386399776 /nfs/dbraw/zinc/39/97/76/386399776.db2.gz JXGDUYUMNZEIAX-KGLIPLIRSA-N 1 3 242.407 1.987 20 0 BDADHO Cc1ccc(CCCN2CC[C@H]([NH3+])[C@@H](C)C2)cn1 ZINC000339411219 386415048 /nfs/dbraw/zinc/41/50/48/386415048.db2.gz VYFLHTYLEAVAAC-WFASDCNBSA-N 1 3 247.386 1.992 20 0 BDADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCc1ccccn1 ZINC000093462305 386416468 /nfs/dbraw/zinc/41/64/68/386416468.db2.gz QKVNAHRSROSOSH-JSGCOSHPSA-N 1 3 233.359 1.744 20 0 BDADHO COC[C@H](Cc1ccccc1)[NH2+]C1CCNCC1 ZINC000414777691 386483988 /nfs/dbraw/zinc/48/39/88/386483988.db2.gz HFUUBUWNUKHCQE-HNNXBMFYSA-N 1 3 248.370 1.586 20 0 BDADHO C[C@@H](C[NH2+]C1CCNCC1)CC1CCOCC1 ZINC000414780430 386495474 /nfs/dbraw/zinc/49/54/74/386495474.db2.gz BBADUMMJVZOVDR-GFCCVEGCSA-N 1 3 240.391 1.781 20 0 BDADHO CCN(CCC[NH+]1CCCCC1)[C@@H](C)CO ZINC000339634120 386502442 /nfs/dbraw/zinc/50/24/42/386502442.db2.gz LSHYBUDKHZNDRS-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CC[C@@H](C)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784148 386506574 /nfs/dbraw/zinc/50/65/74/386506574.db2.gz QVWBIRQOFYIJLS-OLZOCXBDSA-N 1 3 240.391 1.720 20 0 BDADHO CC[C@@H](C)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784148 386506579 /nfs/dbraw/zinc/50/65/79/386506579.db2.gz QVWBIRQOFYIJLS-OLZOCXBDSA-N 1 3 240.391 1.720 20 0 BDADHO CC[C@H](C)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784152 386508143 /nfs/dbraw/zinc/50/81/43/386508143.db2.gz QVWBIRQOFYIJLS-STQMWFEESA-N 1 3 240.391 1.720 20 0 BDADHO CC[C@H](C)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414784152 386508149 /nfs/dbraw/zinc/50/81/49/386508149.db2.gz QVWBIRQOFYIJLS-STQMWFEESA-N 1 3 240.391 1.720 20 0 BDADHO c1ccc2c(c1)CC[C@@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000415021018 386510395 /nfs/dbraw/zinc/51/03/95/386510395.db2.gz BJRBGPNDDTXDRH-KBXIAJHMSA-N 1 3 228.339 1.351 20 0 BDADHO C1CC2(C1)[C@H]([NH2+]C1CCNCC1)[C@H]1CCO[C@H]12 ZINC000414784455 386513582 /nfs/dbraw/zinc/51/35/82/386513582.db2.gz SISMTPXGYQFRGM-JHJVBQTASA-N 1 3 236.359 1.286 20 0 BDADHO C1CC2(C1)[C@H](NC1CC[NH2+]CC1)[C@H]1CCO[C@H]12 ZINC000414784455 386513586 /nfs/dbraw/zinc/51/35/86/386513586.db2.gz SISMTPXGYQFRGM-JHJVBQTASA-N 1 3 236.359 1.286 20 0 BDADHO C1CC2(C1)[C@H]([NH2+]C1CCNCC1)[C@@H]1CCO[C@H]12 ZINC000414784467 386514588 /nfs/dbraw/zinc/51/45/88/386514588.db2.gz SISMTPXGYQFRGM-YNEHKIRRSA-N 1 3 236.359 1.286 20 0 BDADHO C1CC2(C1)[C@H](NC1CC[NH2+]CC1)[C@@H]1CCO[C@H]12 ZINC000414784467 386514597 /nfs/dbraw/zinc/51/45/97/386514597.db2.gz SISMTPXGYQFRGM-YNEHKIRRSA-N 1 3 236.359 1.286 20 0 BDADHO CCN1CCCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000519641838 386514901 /nfs/dbraw/zinc/51/49/01/386514901.db2.gz HQXGBIGXFALMPK-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C1CC1[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032019 386519628 /nfs/dbraw/zinc/51/96/28/386519628.db2.gz GYIQKMBPLKJSFE-BJJPWKGXSA-N 1 3 220.360 1.763 20 0 BDADHO C1CC1[C@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042969 386530356 /nfs/dbraw/zinc/53/03/56/386530356.db2.gz TWLHPCAYDZADDD-DGTMBMJNSA-N 1 3 220.360 1.763 20 0 BDADHO C[C@H](CCc1ccc(F)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037671 386525192 /nfs/dbraw/zinc/52/51/92/386525192.db2.gz NAELLECIRUOMKD-RABLLNBGSA-N 1 3 248.345 1.954 20 0 BDADHO C[C@]1(C[NH2+]CC[C@@H]2CCOC2)CCCNC1 ZINC000414917007 386525944 /nfs/dbraw/zinc/52/59/44/386525944.db2.gz QUAWTBPJHSORBC-OLZOCXBDSA-N 1 3 226.364 1.392 20 0 BDADHO C[C@]1(C[NH2+]CC[C@H]2CCOC2)CCCNC1 ZINC000414917009 386525980 /nfs/dbraw/zinc/52/59/80/386525980.db2.gz QUAWTBPJHSORBC-STQMWFEESA-N 1 3 226.364 1.392 20 0 BDADHO CC[C@H](NC[C@@H]([NH3+])CC(C)C)[C@H]1CCCO1 ZINC000415076907 386577539 /nfs/dbraw/zinc/57/75/39/386577539.db2.gz GYFIPGPTJLYYMJ-RWMBFGLXSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H](C[NH2+]Cc1cccc2nccn21)CN(C)C ZINC000291781044 386582530 /nfs/dbraw/zinc/58/25/30/386582530.db2.gz UVTYTZRTYOCZBB-LBPRGKRZSA-N 1 3 246.358 1.622 20 0 BDADHO NC(=O)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414798286 386583971 /nfs/dbraw/zinc/58/39/71/386583971.db2.gz QBTFJVIPLGVTBW-STQMWFEESA-N 1 3 247.342 1.003 20 0 BDADHO C[C@H](NCCC[NH3+])c1cccc(-n2cccn2)c1 ZINC000415082400 386598509 /nfs/dbraw/zinc/59/85/09/386598509.db2.gz LYUBNYBFPWYITC-LBPRGKRZSA-N 1 3 244.342 1.872 20 0 BDADHO c1nc2ccccc2n1CC[NH2+]C1CCNCC1 ZINC000415080102 386586351 /nfs/dbraw/zinc/58/63/51/386586351.db2.gz IUQUFMRAHJFXFP-UHFFFAOYSA-N 1 3 244.342 1.378 20 0 BDADHO c1nc2ccccc2n1CCNC1CC[NH2+]CC1 ZINC000415080102 386586354 /nfs/dbraw/zinc/58/63/54/386586354.db2.gz IUQUFMRAHJFXFP-UHFFFAOYSA-N 1 3 244.342 1.378 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000414790885 386536255 /nfs/dbraw/zinc/53/62/55/386536255.db2.gz AOYYUEJLCXEXPC-KGLIPLIRSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@H](CCO)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332045855 386546292 /nfs/dbraw/zinc/54/62/92/386546292.db2.gz VDVCKBRDRMILMN-VWYCJHECSA-N 1 3 200.326 1.007 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CN(C)C[C@H]1C ZINC000336755830 386546684 /nfs/dbraw/zinc/54/66/84/386546684.db2.gz GNLGIAKQYNXRBD-OLZOCXBDSA-N 1 3 227.396 1.258 20 0 BDADHO C[C@H](Cc1ccccc1)CN(C)C[C@@H](O)C[NH3+] ZINC000415068006 386550861 /nfs/dbraw/zinc/55/08/61/386550861.db2.gz LXWYNIGBTQBTJK-OCCSQVGLSA-N 1 3 236.359 1.117 20 0 BDADHO CC(C)(CN[C@H]1CCCCC[C@H]1[NH3+])C(N)=O ZINC000332058571 386556103 /nfs/dbraw/zinc/55/61/03/386556103.db2.gz XYWBJVYADPOVPA-ZJUUUORDSA-N 1 3 227.352 1.797 20 0 BDADHO COC(=O)C(C)(C)CCNCCC[NH2+]C1CC1 ZINC000415071454 386556807 /nfs/dbraw/zinc/55/68/07/386556807.db2.gz TYUIAIMZWDTDNZ-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+]CCCNC1CC1 ZINC000415071454 386556814 /nfs/dbraw/zinc/55/68/14/386556814.db2.gz TYUIAIMZWDTDNZ-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@@H]1CCC[C@@H](CN(C)C[C@@H](O)C[NH3+])C1 ZINC000415073869 386572078 /nfs/dbraw/zinc/57/20/78/386572078.db2.gz YZGYODJPVZMNFR-UPJWGTAASA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@]1(CNC[C@@H]2CCCCO2)CC[NH2+]C1 ZINC000062912052 386655800 /nfs/dbraw/zinc/65/58/00/386655800.db2.gz FOJFSDNPZGRIHB-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000415132763 386639216 /nfs/dbraw/zinc/63/92/16/386639216.db2.gz ULGPPXCKXJKGKV-VXGBXAGGSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000415132763 386639220 /nfs/dbraw/zinc/63/92/20/386639220.db2.gz ULGPPXCKXJKGKV-VXGBXAGGSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415132763 386639226 /nfs/dbraw/zinc/63/92/26/386639226.db2.gz ULGPPXCKXJKGKV-VXGBXAGGSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000415132761 386639494 /nfs/dbraw/zinc/63/94/94/386639494.db2.gz ULGPPXCKXJKGKV-RYUDHWBXSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000415132761 386639503 /nfs/dbraw/zinc/63/95/03/386639503.db2.gz ULGPPXCKXJKGKV-RYUDHWBXSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415132761 386639506 /nfs/dbraw/zinc/63/95/06/386639506.db2.gz ULGPPXCKXJKGKV-RYUDHWBXSA-N 1 3 228.380 1.576 20 0 BDADHO CCCC[C@@H](CN)[NH2+]C1CCN(CC)CC1 ZINC000414814509 386645862 /nfs/dbraw/zinc/64/58/62/386645862.db2.gz NYFWOEKOFVVTKN-ZDUSSCGKSA-N 1 3 227.396 1.578 20 0 BDADHO CC(C)OCCCNC[C@@]1(C)CC[NH2+]C1 ZINC000415090964 386611828 /nfs/dbraw/zinc/61/18/28/386611828.db2.gz ZZYSACIIPXTKPK-GFCCVEGCSA-N 1 3 214.353 1.391 20 0 BDADHO C[NH2+]CCN[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414820666 386666354 /nfs/dbraw/zinc/66/63/54/386666354.db2.gz CNMJEXLKZCGXDO-HIFRSBDPSA-N 1 3 247.386 1.631 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CC[C@@H]2CC[NH2+]C2)n1 ZINC000414831293 386709677 /nfs/dbraw/zinc/70/96/77/386709677.db2.gz NATFKMGRYKKYRG-NSHDSACASA-N 1 3 235.331 1.185 20 0 BDADHO CN1CCC([NH2+][C@H](CN)C2CCCCC2)CC1 ZINC000414830669 386710104 /nfs/dbraw/zinc/71/01/04/386710104.db2.gz BIVPOJOMBOCATH-CQSZACIVSA-N 1 3 239.407 1.578 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H](C)N)CC2 ZINC000414825347 386690455 /nfs/dbraw/zinc/69/04/55/386690455.db2.gz SGMGYWSRDLZBEL-SMDDNHRTSA-N 1 3 248.370 1.879 20 0 BDADHO COc1ccc2c(c1)C[C@H](NCC[C@H](C)[NH3+])CC2 ZINC000414825347 386690458 /nfs/dbraw/zinc/69/04/58/386690458.db2.gz SGMGYWSRDLZBEL-SMDDNHRTSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@@H]1Cc2ccccc2CN1CCOCC[NH3+] ZINC000357090981 386715761 /nfs/dbraw/zinc/71/57/61/386715761.db2.gz VPUKBOGCWZWHRT-GFCCVEGCSA-N 1 3 234.343 1.409 20 0 BDADHO COCc1cccc(C[NH2+][C@H]2CNCC[C@@H]2C)c1 ZINC000414928675 386720378 /nfs/dbraw/zinc/72/03/78/386720378.db2.gz NDWFDCLOMQBCQA-WFASDCNBSA-N 1 3 248.370 1.921 20 0 BDADHO N[C@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834733 386723687 /nfs/dbraw/zinc/72/36/87/386723687.db2.gz QTECQCFNXBTEIV-QWHCGFSZSA-N 1 3 219.332 1.028 20 0 BDADHO CC(C)C[C@@H](C[NH3+])N[C@@H](C)Cn1cccn1 ZINC000414835727 386728586 /nfs/dbraw/zinc/72/85/86/386728586.db2.gz HPUYEQSCOOZHLK-RYUDHWBXSA-N 1 3 224.352 1.235 20 0 BDADHO CCCCCN(CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000340714192 386760579 /nfs/dbraw/zinc/76/05/79/386760579.db2.gz RQRDWNRWEKIXKV-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CC[NH2+]CCN[C@H](C)CC1CCOCC1 ZINC000414845083 386789761 /nfs/dbraw/zinc/78/97/61/386789761.db2.gz LNHGXYPHSPOWDP-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417831770 386793292 /nfs/dbraw/zinc/79/32/92/386793292.db2.gz KVQNRECUZOGDIA-QWHCGFSZSA-N 1 3 249.358 1.320 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000398387937 386819055 /nfs/dbraw/zinc/81/90/55/386819055.db2.gz PRONCKDEUFUWFF-FRRDWIJNSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000398387938 386819276 /nfs/dbraw/zinc/81/92/76/386819276.db2.gz PRONCKDEUFUWFF-JHJVBQTASA-N 1 3 228.380 1.645 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417864951 386809015 /nfs/dbraw/zinc/80/90/15/386809015.db2.gz BUCZTVJHTCFGGL-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417864951 386809024 /nfs/dbraw/zinc/80/90/24/386809024.db2.gz BUCZTVJHTCFGGL-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417864951 386809031 /nfs/dbraw/zinc/80/90/31/386809031.db2.gz BUCZTVJHTCFGGL-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000414937250 386846626 /nfs/dbraw/zinc/84/66/26/386846626.db2.gz VIWSPWQTTYLDIY-DGAVXFQQSA-N 1 3 240.391 1.778 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000645187920 386850547 /nfs/dbraw/zinc/85/05/47/386850547.db2.gz LDQXSMMQPIDCDJ-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000645187920 386850552 /nfs/dbraw/zinc/85/05/52/386850552.db2.gz LDQXSMMQPIDCDJ-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000645187917 386850843 /nfs/dbraw/zinc/85/08/43/386850843.db2.gz LDQXSMMQPIDCDJ-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000645187917 386850847 /nfs/dbraw/zinc/85/08/47/386850847.db2.gz LDQXSMMQPIDCDJ-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000331598217 386873648 /nfs/dbraw/zinc/87/36/48/386873648.db2.gz NXFMYDPCONJKEE-RFQIPJPRSA-N 1 3 232.327 1.634 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331870909 386919587 /nfs/dbraw/zinc/91/95/87/386919587.db2.gz BFVIWKSHRCQTFD-TUAOUCFPSA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331903091 386924151 /nfs/dbraw/zinc/92/41/51/386924151.db2.gz FJMLYWRIQJIRDM-QJPTWQEYSA-N 1 3 214.353 1.397 20 0 BDADHO c1cc(CN2CCC3(C2)CC[NH2+]CC3)on1 ZINC000334931199 387007536 /nfs/dbraw/zinc/00/75/36/387007536.db2.gz YZWFKPRQDWJUSV-UHFFFAOYSA-N 1 3 221.304 1.250 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000425363735 386972825 /nfs/dbraw/zinc/97/28/25/386972825.db2.gz XTVCDTNMNPLTEN-WOPDTQHZSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CC[C@@H]2SC)C1 ZINC000425363735 386972828 /nfs/dbraw/zinc/97/28/28/386972828.db2.gz XTVCDTNMNPLTEN-WOPDTQHZSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CC[C@@H]2SC)C1 ZINC000425363735 386972832 /nfs/dbraw/zinc/97/28/32/386972832.db2.gz XTVCDTNMNPLTEN-WOPDTQHZSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)(C)[NH+]1CCC(NCC2(O)CCC2)CC1 ZINC000358715082 387001123 /nfs/dbraw/zinc/00/11/23/387001123.db2.gz MPHHXEKRLQHJTQ-UHFFFAOYSA-N 1 3 240.391 1.754 20 0 BDADHO Cc1cn[nH]c1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000334820657 386949434 /nfs/dbraw/zinc/94/94/34/386949434.db2.gz MECNUFBBIDXEOP-MWLCHTKSSA-N 1 3 222.336 1.135 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358913278 387032249 /nfs/dbraw/zinc/03/22/49/387032249.db2.gz HDNCFTKKAGWVTP-GFCCVEGCSA-N 1 3 236.363 1.339 20 0 BDADHO CC(C)(CO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000168597032 387036656 /nfs/dbraw/zinc/03/66/56/387036656.db2.gz SCDDMVXOQUBKGQ-GHMZBOCLSA-N 1 3 214.353 1.112 20 0 BDADHO CC[C@H](N[C@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[NH2+]1 ZINC000333227017 387023742 /nfs/dbraw/zinc/02/37/42/387023742.db2.gz BCJRAEXKJVHDNG-SRVKXCTJSA-N 1 3 248.374 1.387 20 0 BDADHO CC[C@H](N[C@H]1CCc2[nH]cnc2C1)[C@@H]1CCC[NH2+]1 ZINC000333227017 387023745 /nfs/dbraw/zinc/02/37/45/387023745.db2.gz BCJRAEXKJVHDNG-SRVKXCTJSA-N 1 3 248.374 1.387 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCC1(CO)CC2(CCC2)C1 ZINC000333328227 387028611 /nfs/dbraw/zinc/02/86/11/387028611.db2.gz VRYVJRMXTKUFJI-RYUDHWBXSA-N 1 3 238.375 1.399 20 0 BDADHO CC[C@H](C)[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000334981536 387068737 /nfs/dbraw/zinc/06/87/37/387068737.db2.gz RMGLNTYCFYALBV-NWDGAFQWSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H](C)[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000334981536 387068739 /nfs/dbraw/zinc/06/87/39/387068739.db2.gz RMGLNTYCFYALBV-NWDGAFQWSA-N 1 3 226.364 1.472 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000228451281 387093125 /nfs/dbraw/zinc/09/31/25/387093125.db2.gz DTKCZVSFRLTDMA-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000228451281 387093131 /nfs/dbraw/zinc/09/31/31/387093131.db2.gz DTKCZVSFRLTDMA-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)N(C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000067570597 387094991 /nfs/dbraw/zinc/09/49/91/387094991.db2.gz NSXNCFUHRLOJTI-UHFFFAOYSA-N 1 3 243.395 1.031 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC1CC(C)(F)C1 ZINC000335004743 387099218 /nfs/dbraw/zinc/09/92/18/387099218.db2.gz DTPPEROUUJBIKA-QTAHKJALSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004743 387099221 /nfs/dbraw/zinc/09/92/21/387099221.db2.gz DTPPEROUUJBIKA-QTAHKJALSA-N 1 3 214.328 1.855 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2C[NH2+]C2)C1(CC)CC ZINC000423300098 387131585 /nfs/dbraw/zinc/13/15/85/387131585.db2.gz DHELWANEVVCYBV-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1=CCOCC1 ZINC000335010654 387105182 /nfs/dbraw/zinc/10/51/82/387105182.db2.gz JBCMLIIDTSJAAZ-STQMWFEESA-N 1 3 224.348 1.583 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CC2CNC2)C1(CC)CC ZINC000423300098 387131589 /nfs/dbraw/zinc/13/15/89/387131589.db2.gz DHELWANEVVCYBV-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](CC)Cn1cncn1 ZINC000423299987 387132405 /nfs/dbraw/zinc/13/24/05/387132405.db2.gz QRAKFLKCVNZTLX-VXGBXAGGSA-N 1 3 239.367 1.164 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2C[NH2+]C2)C1(CC)CC ZINC000423300097 387132413 /nfs/dbraw/zinc/13/24/13/387132413.db2.gz DHELWANEVVCYBV-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CNC2)C1(CC)CC ZINC000423300097 387132415 /nfs/dbraw/zinc/13/24/15/387132415.db2.gz DHELWANEVVCYBV-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO CC[NH+](CC)CCCN1CCCC[C@@H](CO)C1 ZINC000370622369 387129138 /nfs/dbraw/zinc/12/91/38/387129138.db2.gz NHFHIHASMMCROV-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000370622369 387129144 /nfs/dbraw/zinc/12/91/44/387129144.db2.gz NHFHIHASMMCROV-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@@H](CO)C1 ZINC000370622369 387129146 /nfs/dbraw/zinc/12/91/46/387129146.db2.gz NHFHIHASMMCROV-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CNC2)C1 ZINC000423305827 387141771 /nfs/dbraw/zinc/14/17/71/387141771.db2.gz RSXPXLPZWQLXKU-UWVGGRQHSA-N 1 3 236.281 1.917 20 0 BDADHO C[C@@H]1[C@@H](NCC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423305548 387142290 /nfs/dbraw/zinc/14/22/90/387142290.db2.gz RDNHVXJRWKJIRG-CQDKDKBSSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@@H]1[C@@H]([NH2+]CC2CNC2)C[C@@H]1c1ccccc1 ZINC000423305548 387142293 /nfs/dbraw/zinc/14/22/93/387142293.db2.gz RDNHVXJRWKJIRG-CQDKDKBSSA-N 1 3 230.355 1.988 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000459631826 387143565 /nfs/dbraw/zinc/14/35/65/387143565.db2.gz KSEZDVZKHZGETA-SYQHCUMBSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459631826 387143571 /nfs/dbraw/zinc/14/35/71/387143571.db2.gz KSEZDVZKHZGETA-SYQHCUMBSA-N 1 3 238.375 1.770 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)C[NH3+])C[C@H]1OC ZINC000423320481 387161645 /nfs/dbraw/zinc/16/16/45/387161645.db2.gz GQJAVDVKHNEHAQ-GMTAPVOTSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423320425 387162145 /nfs/dbraw/zinc/16/21/45/387162145.db2.gz GKGVJPKEKJRYKH-IJLUTSLNSA-N 1 3 228.380 1.763 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H](C)C[NH3+])C1(CC)CC ZINC000423320315 387163228 /nfs/dbraw/zinc/16/32/28/387163228.db2.gz GDWOLBIZHJALJN-UTUOFQBUSA-N 1 3 228.380 1.907 20 0 BDADHO Nc1ncc(CN2CCC[C@@H](CC[NH3+])C2)s1 ZINC000571762392 387164144 /nfs/dbraw/zinc/16/41/44/387164144.db2.gz IDKQNENHCZATLL-VIFPVBQESA-N 1 3 240.376 1.116 20 0 BDADHO Cc1ccnc([C@@H](C)NCCCC[NH3+])c1 ZINC000423332065 387178689 /nfs/dbraw/zinc/17/86/89/387178689.db2.gz QOARKLLGYLQTAN-LLVKDONJSA-N 1 3 207.321 1.780 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN ZINC000423302125 387134152 /nfs/dbraw/zinc/13/41/52/387134152.db2.gz HCOGTPVHTBEBML-SDDRHHMPSA-N 1 3 214.353 1.376 20 0 BDADHO COCCC[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423356719 387208706 /nfs/dbraw/zinc/20/87/06/387208706.db2.gz HGAJHYCGWJFPIP-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO COC[C@H](N[C@@H](C)C[NH3+])C1CCCC1 ZINC000423359254 387209535 /nfs/dbraw/zinc/20/95/35/387209535.db2.gz DBLLGQUZEWEGLX-ONGXEEELSA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423362884 387214946 /nfs/dbraw/zinc/21/49/46/387214946.db2.gz ILNAFWKYGVYRBV-GARJFASQSA-N 1 3 214.353 1.515 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000300652487 387234566 /nfs/dbraw/zinc/23/45/66/387234566.db2.gz ZORKIDBEMZOPOP-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH2+]C2CC2)C1(C)C ZINC000300652487 387234572 /nfs/dbraw/zinc/23/45/72/387234572.db2.gz ZORKIDBEMZOPOP-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CN1C1CC1 ZINC000423403610 387240454 /nfs/dbraw/zinc/24/04/54/387240454.db2.gz YQXCHVDGZGMPDU-CZXHOFHRSA-N 1 3 237.391 1.342 20 0 BDADHO Nc1cccc(CN2CCCC[C@H]2CC[NH3+])c1 ZINC000352488281 387247122 /nfs/dbraw/zinc/24/71/22/387247122.db2.gz OHNNXDYOUXIHNQ-AWEZNQCLSA-N 1 3 233.359 1.972 20 0 BDADHO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CCCO1 ZINC000423348300 387197312 /nfs/dbraw/zinc/19/73/12/387197312.db2.gz SXGDSCZWSVEFRL-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1CCCO1 ZINC000423348300 387197316 /nfs/dbraw/zinc/19/73/16/387197316.db2.gz SXGDSCZWSVEFRL-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CC[C@@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423467571 387314199 /nfs/dbraw/zinc/31/41/99/387314199.db2.gz XTSZMUIPCUWLPO-HKLHZYFVSA-N 1 3 208.349 1.619 20 0 BDADHO CCN1CCC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000161851514 387273518 /nfs/dbraw/zinc/27/35/18/387273518.db2.gz DMAMVTJHHTVAJB-CYBMUJFWSA-N 1 3 235.375 1.847 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](CC)[C@@H]1CCOC1 ZINC000423393600 387278711 /nfs/dbraw/zinc/27/87/11/387278711.db2.gz YYVCWDJUGYICBW-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000393694719 259709916 /nfs/dbraw/zinc/70/99/16/259709916.db2.gz OFBZNYAXEMFYFG-TUAOUCFPSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395170 387282207 /nfs/dbraw/zinc/28/22/07/387282207.db2.gz NGAGPHVSSLNMBN-UHXUPSOCSA-N 1 3 237.391 1.199 20 0 BDADHO CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432131 387284557 /nfs/dbraw/zinc/28/45/57/387284557.db2.gz QRQZOKPHESTWGB-QWHCGFSZSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](CCCc1cccnc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434760 387285711 /nfs/dbraw/zinc/28/57/11/387285711.db2.gz QMQWAKGKXFNUAA-RZFFKMDDSA-N 1 3 245.370 1.600 20 0 BDADHO FCCC[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434777 387285904 /nfs/dbraw/zinc/28/59/04/387285904.db2.gz QPFRBXQDQDUEEH-KIJLLGNVSA-N 1 3 226.339 1.712 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)[C@@H](C)[NH3+])C[C@H]1OC ZINC000423442800 387292726 /nfs/dbraw/zinc/29/27/26/387292726.db2.gz KBKWNZFNMBBXEF-DDHJBXDOSA-N 1 3 228.380 1.905 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1NCCc2ccccc21 ZINC000423443325 387293056 /nfs/dbraw/zinc/29/30/56/387293056.db2.gz WYNSXBLWKGHEFA-RBSFLKMASA-N 1 3 245.370 1.343 20 0 BDADHO Cc1cnn(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000285949375 387296074 /nfs/dbraw/zinc/29/60/74/387296074.db2.gz MPCLFDAFWSNKRF-UHFFFAOYSA-N 1 3 234.347 1.080 20 0 BDADHO Cc1cnn(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000285949375 387296078 /nfs/dbraw/zinc/29/60/78/387296078.db2.gz MPCLFDAFWSNKRF-UHFFFAOYSA-N 1 3 234.347 1.080 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000423480465 387297657 /nfs/dbraw/zinc/29/76/57/387297657.db2.gz NHYPKXFKSOWPIP-DCAQKATOSA-N 1 3 247.333 1.091 20 0 BDADHO CC[C@@H]1CCC[N@H+](C[C@](C)(O)CNC)CC1 ZINC000515305616 387361802 /nfs/dbraw/zinc/36/18/02/387361802.db2.gz CEBUMBFIBUJULP-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H]1CCC[N@@H+](C[C@](C)(O)CNC)CC1 ZINC000515305616 387361806 /nfs/dbraw/zinc/36/18/06/387361806.db2.gz CEBUMBFIBUJULP-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H]1CCCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000515305616 387361813 /nfs/dbraw/zinc/36/18/13/387361813.db2.gz CEBUMBFIBUJULP-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO COc1ccc(C[C@H](C)N[C@H](C)[C@H](C)[NH3+])cn1 ZINC000423481128 387363213 /nfs/dbraw/zinc/36/32/13/387363213.db2.gz WQVYIZFFXFRLFU-GARJFASQSA-N 1 3 237.347 1.347 20 0 BDADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000423549169 387369949 /nfs/dbraw/zinc/36/99/49/387369949.db2.gz HMRSLQAHAVHUQQ-RAIGVLPGSA-N 1 3 240.391 1.778 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)CCO1 ZINC000423559057 387374861 /nfs/dbraw/zinc/37/48/61/387374861.db2.gz SXSWFJRQXKBDMI-DGAVXFQQSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423572636 387379275 /nfs/dbraw/zinc/37/92/75/387379275.db2.gz YMQRESVQEGRMPD-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423570049 387379381 /nfs/dbraw/zinc/37/93/81/387379381.db2.gz WSNAXNLHEDEXMT-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423571991 387379760 /nfs/dbraw/zinc/37/97/60/387379760.db2.gz YAQQMXBUPYFJRJ-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCN(CC2CC2)C1 ZINC000643462872 387322318 /nfs/dbraw/zinc/32/23/18/387322318.db2.gz PXONHHBTUQVDBE-KWCYVHTRSA-N 1 3 237.391 1.058 20 0 BDADHO CC[C@H](N[C@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475390 387322481 /nfs/dbraw/zinc/32/24/81/387322481.db2.gz HWJPTOUECIOJGG-DCAQKATOSA-N 1 3 247.333 1.104 20 0 BDADHO C[C@H](CC(C)(C)C)NC[C@@H]1C[NH2+]CCCO1 ZINC000423495737 387337549 /nfs/dbraw/zinc/33/75/49/387337549.db2.gz VEGBYMBAEREAIX-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352699402 387442479 /nfs/dbraw/zinc/44/24/79/387442479.db2.gz QRINWZYJSIESRI-JHJVBQTASA-N 1 3 226.364 1.316 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352699402 387442484 /nfs/dbraw/zinc/44/24/84/387442484.db2.gz QRINWZYJSIESRI-JHJVBQTASA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H](NC(=O)[C@H](N)CC1CCCCC1)[C@H](C)[NH3+] ZINC000423676280 387395019 /nfs/dbraw/zinc/39/50/19/387395019.db2.gz IQJFJWCKYYGPSX-HOSYDEDBSA-N 1 3 241.379 1.136 20 0 BDADHO CO[C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475461 387509683 /nfs/dbraw/zinc/50/96/83/387509683.db2.gz UZMNUYFYVLDVTQ-SYCZCVCYSA-N 1 3 238.375 1.817 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396894518 387510197 /nfs/dbraw/zinc/51/01/97/387510197.db2.gz RYVXHEFPOVHPAX-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCC2(CO)CC2)C1 ZINC000395940640 387515034 /nfs/dbraw/zinc/51/50/34/387515034.db2.gz KVRXDJIYEOUXPT-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO CC[C@H](NC1CCC(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471300 387480390 /nfs/dbraw/zinc/48/03/90/387480390.db2.gz PKZGIRJODPOWMZ-HOAMVYINSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCN1 ZINC000643471300 387480395 /nfs/dbraw/zinc/48/03/95/387480395.db2.gz PKZGIRJODPOWMZ-HOAMVYINSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1CCC[N@H+](CCOCC2CC2)[C@@H]1CN ZINC000430544291 387628350 /nfs/dbraw/zinc/62/83/50/387628350.db2.gz FUBHLVBWQIBGOL-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCOCC2CC2)[C@@H]1CN ZINC000430544291 387628353 /nfs/dbraw/zinc/62/83/53/387628353.db2.gz FUBHLVBWQIBGOL-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1CCC[N@H+](CCOCC2CC2)[C@H]1CN ZINC000430544289 387628382 /nfs/dbraw/zinc/62/83/82/387628382.db2.gz FUBHLVBWQIBGOL-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1CCC[N@@H+](CCOCC2CC2)[C@H]1CN ZINC000430544289 387628386 /nfs/dbraw/zinc/62/83/86/387628386.db2.gz FUBHLVBWQIBGOL-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO Fc1cccc(F)c1CC[NH2+]C1CCNCC1 ZINC000422695381 387612287 /nfs/dbraw/zinc/61/22/87/387612287.db2.gz PTOJTADHYQDFJC-UHFFFAOYSA-N 1 3 240.297 1.849 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422715147 387629367 /nfs/dbraw/zinc/62/93/67/387629367.db2.gz RVUBJJKFDAUQQX-WUHRBBMRSA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422715147 387629372 /nfs/dbraw/zinc/62/93/72/387629372.db2.gz RVUBJJKFDAUQQX-WUHRBBMRSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H](Cc1ccsc1)NCC1C[NH2+]C1 ZINC000643516038 387618520 /nfs/dbraw/zinc/61/85/20/387618520.db2.gz QZPYZXNXXZVYIY-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO C[C@@H](Cc1ccsc1)[NH2+]CC1CNC1 ZINC000643516038 387618524 /nfs/dbraw/zinc/61/85/24/387618524.db2.gz QZPYZXNXXZVYIY-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO CCCCN(C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422707204 387620593 /nfs/dbraw/zinc/62/05/93/387620593.db2.gz GSTHYIVRRXRSJG-UONOGXRCSA-N 1 3 241.423 1.696 20 0 BDADHO Cc1ccc(CN[C@H](C)CCC[NH3+])nc1 ZINC000400845415 387573625 /nfs/dbraw/zinc/57/36/25/387573625.db2.gz ZIJHLSDTFVCRJR-LLVKDONJSA-N 1 3 207.321 1.607 20 0 BDADHO CC(C)C[C@@H](CN(C)C)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422717126 387631674 /nfs/dbraw/zinc/63/16/74/387631674.db2.gz OGVDQHSTVGMRHD-MELADBBJSA-N 1 3 241.423 1.693 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422724546 387634212 /nfs/dbraw/zinc/63/42/12/387634212.db2.gz VYQDRJDHWBNTRY-OLZOCXBDSA-N 1 3 236.363 1.299 20 0 BDADHO CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@@H]1N ZINC000422725475 387635855 /nfs/dbraw/zinc/63/58/55/387635855.db2.gz BMGOUNKUYOTKHU-RDBSUJKOSA-N 1 3 239.407 1.720 20 0 BDADHO Cc1nccn1CCCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422726413 387636057 /nfs/dbraw/zinc/63/60/57/387636057.db2.gz ZUMNBXDAOBPYAB-WCQYABFASA-N 1 3 236.363 1.312 20 0 BDADHO COC[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000124906872 387636777 /nfs/dbraw/zinc/63/67/77/387636777.db2.gz BIUYRWQLVQRLJF-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CCCCOCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000422729548 387637750 /nfs/dbraw/zinc/63/77/50/387637750.db2.gz KWRQGXLSRQXWND-RYUDHWBXSA-N 1 3 216.369 1.909 20 0 BDADHO C[C@@H](NCCc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422729611 387639324 /nfs/dbraw/zinc/63/93/24/387639324.db2.gz KYOBTPDNOQCYKE-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO C[C@@H]([NH2+]CCc1ccc(F)cc1)C1CNC1 ZINC000422729611 387639326 /nfs/dbraw/zinc/63/93/26/387639326.db2.gz KYOBTPDNOQCYKE-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO CCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422732038 387641149 /nfs/dbraw/zinc/64/11/49/387641149.db2.gz NDEIVSQBIITESC-OUAUKWLOSA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000430795687 387651448 /nfs/dbraw/zinc/65/14/48/387651448.db2.gz HKONPHPLPALHIG-SRVKXCTJSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000430795687 387651450 /nfs/dbraw/zinc/65/14/50/387651450.db2.gz HKONPHPLPALHIG-SRVKXCTJSA-N 1 3 241.379 1.055 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)c1cnccc1N)N(C)C1CC1 ZINC000422747883 387651554 /nfs/dbraw/zinc/65/15/54/387651554.db2.gz ZSSIWNRFMGLENZ-QWRGUYRKSA-N 1 3 248.374 1.627 20 0 BDADHO C[C@@H](CN[C@@H](C)c1cnccc1N)[N@H+](C)C1CC1 ZINC000422747883 387651557 /nfs/dbraw/zinc/65/15/57/387651557.db2.gz ZSSIWNRFMGLENZ-QWRGUYRKSA-N 1 3 248.374 1.627 20 0 BDADHO C[C@@H](CN[C@@H](C)c1cnccc1N)[N@@H+](C)C1CC1 ZINC000422747883 387651562 /nfs/dbraw/zinc/65/15/62/387651562.db2.gz ZSSIWNRFMGLENZ-QWRGUYRKSA-N 1 3 248.374 1.627 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCCNc1ccccc1 ZINC000422756473 387660977 /nfs/dbraw/zinc/66/09/77/387660977.db2.gz LNWPQPFTCUAZHM-KGLIPLIRSA-N 1 3 233.359 1.958 20 0 BDADHO CSC[C@H](C)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422756900 387661256 /nfs/dbraw/zinc/66/12/56/387661256.db2.gz MCIMTRNJFXBYKF-GARJFASQSA-N 1 3 216.394 1.988 20 0 BDADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422760688 387662553 /nfs/dbraw/zinc/66/25/53/387662553.db2.gz GYVKNACAFRDWLL-MROQNXINSA-N 1 3 228.380 1.620 20 0 BDADHO Cc1ccc([C@H](C)[NH2+][C@H](C)CN)c(C)n1 ZINC000643519855 387662690 /nfs/dbraw/zinc/66/26/90/387662690.db2.gz ZNSQQIUMCWEKDI-KOLCDFICSA-N 1 3 207.321 1.696 20 0 BDADHO CCC[C@H](C(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000422767767 387668156 /nfs/dbraw/zinc/66/81/56/387668156.db2.gz RMXVOQQTNHDZCO-HTAVTVPLSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422773241 387670285 /nfs/dbraw/zinc/67/02/85/387670285.db2.gz ZNFFDQKSURHMMS-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)N1CCC(C)CC1 ZINC000422778338 387674489 /nfs/dbraw/zinc/67/44/89/387674489.db2.gz HHOKMELXBBZBNV-STQMWFEESA-N 1 3 239.407 1.304 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCOCC1CC1 ZINC000422782942 387680105 /nfs/dbraw/zinc/68/01/05/387680105.db2.gz KHESJBUCDZRDHE-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2N)CCN1C ZINC000422784078 387684824 /nfs/dbraw/zinc/68/48/24/387684824.db2.gz PFYHGSQHOQRGNX-YIYPIFLZSA-N 1 3 239.407 1.719 20 0 BDADHO CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2N)CCCC1 ZINC000422786439 387687389 /nfs/dbraw/zinc/68/73/89/387687389.db2.gz ORQDCXIKGGNQAZ-VXGBXAGGSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)N(C)C1CC1 ZINC000422743904 387690264 /nfs/dbraw/zinc/69/02/64/387690264.db2.gz SDDZISNOVSUJHI-KWCYVHTRSA-N 1 3 239.407 1.719 20 0 BDADHO CCCCOCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422791447 387693894 /nfs/dbraw/zinc/69/38/94/387693894.db2.gz YMCNWMWNCRLUDN-GHMZBOCLSA-N 1 3 202.342 1.519 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2N)CN1C1CC1 ZINC000422861762 387744665 /nfs/dbraw/zinc/74/46/65/387744665.db2.gz JNNRUFPINIRTRQ-RSLMWUCJSA-N 1 3 223.364 1.081 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])CN1C1CC1 ZINC000422861762 387744666 /nfs/dbraw/zinc/74/46/66/387744666.db2.gz JNNRUFPINIRTRQ-RSLMWUCJSA-N 1 3 223.364 1.081 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877132 387756311 /nfs/dbraw/zinc/75/63/11/387756311.db2.gz RBJJWJFLIZZDDN-MHDGFBEUSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422877132 387756316 /nfs/dbraw/zinc/75/63/16/387756316.db2.gz RBJJWJFLIZZDDN-MHDGFBEUSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CCC(C)CC1 ZINC000422867007 387746013 /nfs/dbraw/zinc/74/60/13/387746013.db2.gz RNQDATOUGXOURR-CHWSQXEVSA-N 1 3 227.396 1.434 20 0 BDADHO CCN(CCN[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422876909 387754817 /nfs/dbraw/zinc/75/48/17/387754817.db2.gz GRKZTBBYPVUQPH-QWRGUYRKSA-N 1 3 213.369 1.186 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C(C)(C)C ZINC000422809357 387706931 /nfs/dbraw/zinc/70/69/31/387706931.db2.gz MCHPEJRABPPMAC-IJLUTSLNSA-N 1 3 228.380 1.765 20 0 BDADHO Cc1cccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c1 ZINC000422810954 387707547 /nfs/dbraw/zinc/70/75/47/387707547.db2.gz VAKHVAHCXXZXLX-NWANDNLSSA-N 1 3 248.370 1.837 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1Cc2ccccc2O1 ZINC000422810947 387708023 /nfs/dbraw/zinc/70/80/23/387708023.db2.gz SPPRGAXYSZDCFU-GMXVVIOVSA-N 1 3 234.343 1.706 20 0 BDADHO C[C@@H](NCC1(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422815346 387713598 /nfs/dbraw/zinc/71/35/98/387713598.db2.gz XLDVCJXSKUIQNL-GFCCVEGCSA-N 1 3 230.355 1.916 20 0 BDADHO C[C@@H]([NH2+]CC1(c2ccccc2)CC1)C1CNC1 ZINC000422815346 387713602 /nfs/dbraw/zinc/71/36/02/387713602.db2.gz XLDVCJXSKUIQNL-GFCCVEGCSA-N 1 3 230.355 1.916 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000422820267 387716425 /nfs/dbraw/zinc/71/64/25/387716425.db2.gz PSSNENWBHBVAMP-UTUOFQBUSA-N 1 3 228.405 1.860 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C ZINC000356761474 387716506 /nfs/dbraw/zinc/71/65/06/387716506.db2.gz FGFLIWMFDSXNIE-NEPJUHHUSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C ZINC000356761474 387716515 /nfs/dbraw/zinc/71/65/15/387716515.db2.gz FGFLIWMFDSXNIE-NEPJUHHUSA-N 1 3 243.395 1.172 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCCSC1 ZINC000422821192 387717639 /nfs/dbraw/zinc/71/76/39/387717639.db2.gz UXJSWDFBCJHCGZ-OPRDCNLKSA-N 1 3 200.351 1.351 20 0 BDADHO CC(C)C[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000422821689 387717978 /nfs/dbraw/zinc/71/79/78/387717978.db2.gz XVVCJVKNXTZNKS-MJBXVCDLSA-N 1 3 241.423 1.550 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@@H]2[NH3+])CCCC[C@@H]1O ZINC000422823366 387720603 /nfs/dbraw/zinc/72/06/03/387720603.db2.gz LJCPFGUSRQNEKY-QNWHQSFQSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000422829707 387723976 /nfs/dbraw/zinc/72/39/76/387723976.db2.gz HSHTVWODOPKVJY-NEPJUHHUSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nccs1 ZINC000422839818 387729335 /nfs/dbraw/zinc/72/93/35/387729335.db2.gz RMFKMTXRUZIBNA-GHMZBOCLSA-N 1 3 239.388 1.663 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000422878481 387755839 /nfs/dbraw/zinc/75/58/39/387755839.db2.gz TWWNFQHZKKZRAG-LPEHRKFASA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCS1 ZINC000422878481 387755843 /nfs/dbraw/zinc/75/58/43/387755843.db2.gz TWWNFQHZKKZRAG-LPEHRKFASA-N 1 3 202.367 1.597 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1(C)C ZINC000422849387 387735659 /nfs/dbraw/zinc/73/56/59/387735659.db2.gz LTTRTUCAXRRJHO-ZDEQEGDKSA-N 1 3 240.391 1.778 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1 ZINC000643524444 387737775 /nfs/dbraw/zinc/73/77/75/387737775.db2.gz FSQJFAUZUMRQPA-RVMXOQNASA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000643524233 387738878 /nfs/dbraw/zinc/73/88/78/387738878.db2.gz XBFLSVBUTRCPKP-ZDEQEGDKSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@H]([NH3+])CN[C@@H](C)CCc1n[nH]c2ccccc12 ZINC000643527371 387762447 /nfs/dbraw/zinc/76/24/47/387762447.db2.gz LRMOMODDCXJDJM-QWRGUYRKSA-N 1 3 246.358 1.821 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C12CCCC2 ZINC000643527160 387763371 /nfs/dbraw/zinc/76/33/71/387763371.db2.gz KFVSNHAONOYAKJ-QJPTWQEYSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](NCCN1[C@H](C)CCC[C@H]1C)C1C[NH2+]C1 ZINC000422892432 387764411 /nfs/dbraw/zinc/76/44/11/387764411.db2.gz YNYLHUIDMYPZCY-UPJWGTAASA-N 1 3 239.407 1.447 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527522 387765740 /nfs/dbraw/zinc/76/57/40/387765740.db2.gz NWPUWFPYVHMYCU-SDDRHHMPSA-N 1 3 228.380 1.763 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422915042 387772877 /nfs/dbraw/zinc/77/28/77/387772877.db2.gz AMJMKPUFFJMUPM-RWMBFGLXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NCCc1cccc(F)c1F)C1C[NH2+]C1 ZINC000422961246 387812299 /nfs/dbraw/zinc/81/22/99/387812299.db2.gz YTCZWDQJRLLCSU-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO C[C@H]([NH2+]CCc1cccc(F)c1F)C1CNC1 ZINC000422961246 387812303 /nfs/dbraw/zinc/81/23/03/387812303.db2.gz YTCZWDQJRLLCSU-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO CC[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)N1CCCC1 ZINC000422961229 387812536 /nfs/dbraw/zinc/81/25/36/387812536.db2.gz BEEJXBVQOQOPTQ-MCIONIFRSA-N 1 3 239.407 1.448 20 0 BDADHO CCc1nc(CCN[C@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422901178 387785385 /nfs/dbraw/zinc/78/53/85/387785385.db2.gz KNULCRXEBGQPEF-NXEZZACHSA-N 1 3 241.404 1.963 20 0 BDADHO CC[C@H](CCO)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422981444 387791854 /nfs/dbraw/zinc/79/18/54/387791854.db2.gz SVCUTSXMPUNFJN-TUAOUCFPSA-N 1 3 214.353 1.125 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989602 387797954 /nfs/dbraw/zinc/79/79/54/387797954.db2.gz LYPUMYBOFIITRO-STQMWFEESA-N 1 3 240.391 1.646 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(O)cc1 ZINC000422988266 387798657 /nfs/dbraw/zinc/79/86/57/387798657.db2.gz KCHBFYSXIZYKPU-QWHCGFSZSA-N 1 3 220.316 1.404 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000422994529 387803061 /nfs/dbraw/zinc/80/30/61/387803061.db2.gz IBIXWCCNRSHPKI-UKRRQHHQSA-N 1 3 247.386 1.992 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)CCCO ZINC000422999801 387804489 /nfs/dbraw/zinc/80/44/89/387804489.db2.gz YLGKIUNACRPLDV-WDEREUQCSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCNCC[C@@H]2C)CCO1 ZINC000422999334 387804945 /nfs/dbraw/zinc/80/49/45/387804945.db2.gz XSQVMBIGPQHPDI-DGAVXFQQSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1ccccn1 ZINC000423000039 387805000 /nfs/dbraw/zinc/80/50/00/387805000.db2.gz ULKDPPQFERMXHI-RYUDHWBXSA-N 1 3 221.348 1.730 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCCc1ccccn1 ZINC000423000039 387805002 /nfs/dbraw/zinc/80/50/02/387805002.db2.gz ULKDPPQFERMXHI-RYUDHWBXSA-N 1 3 221.348 1.730 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527998236 387805812 /nfs/dbraw/zinc/80/58/12/387805812.db2.gz KXDQACVWTAULRE-FQUUOJAGSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527998236 387805815 /nfs/dbraw/zinc/80/58/15/387805815.db2.gz KXDQACVWTAULRE-FQUUOJAGSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000527998237 387806274 /nfs/dbraw/zinc/80/62/74/387806274.db2.gz KXDQACVWTAULRE-RQJABVFESA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000527998237 387806278 /nfs/dbraw/zinc/80/62/78/387806278.db2.gz KXDQACVWTAULRE-RQJABVFESA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000423002630 387806554 /nfs/dbraw/zinc/80/65/54/387806554.db2.gz GHZITGUZFMRKTN-RYUDHWBXSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000422951888 387806600 /nfs/dbraw/zinc/80/66/00/387806600.db2.gz AQOQOUBPVPMZGV-AVGNSLFASA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001997 387808288 /nfs/dbraw/zinc/80/82/88/387808288.db2.gz FNGYGIOXNILQJO-XDQVBPFNSA-N 1 3 240.391 1.515 20 0 BDADHO COc1cccc(CCC[NH2+][C@@H](C)C2CNC2)c1 ZINC000422949254 387808310 /nfs/dbraw/zinc/80/83/10/387808310.db2.gz UOZCPOXYDZQZJC-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO COc1cccc(CCCN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422949254 387808313 /nfs/dbraw/zinc/80/83/13/387808313.db2.gz UOZCPOXYDZQZJC-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO COc1cccc2c1CC[C@@H](NC[C@H](C)[NH3+])C2 ZINC000643526553 387757828 /nfs/dbraw/zinc/75/78/28/387757828.db2.gz AYOMXTJCIXXEQU-CMPLNLGQSA-N 1 3 234.343 1.489 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C12CCC2 ZINC000643526968 387761019 /nfs/dbraw/zinc/76/10/19/387761019.db2.gz IAUOIHKNGCPNDX-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422972622 387820969 /nfs/dbraw/zinc/82/09/69/387820969.db2.gz AATUPBSKVCDZBU-MXWKQRLJSA-N 1 3 200.326 1.007 20 0 BDADHO CCC(O)(CC)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422973659 387823801 /nfs/dbraw/zinc/82/38/01/387823801.db2.gz PFAWALWHMUAVDR-ZJUUUORDSA-N 1 3 200.326 1.007 20 0 BDADHO COc1cccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000423003618 387825591 /nfs/dbraw/zinc/82/55/91/387825591.db2.gz IGZUEUWJEUJNLM-NEPJUHHUSA-N 1 3 249.358 1.220 20 0 BDADHO C[C@@H]([NH2+]CC1(CCO)CCCCC1)C1CNC1 ZINC000423007755 387829041 /nfs/dbraw/zinc/82/90/41/387829041.db2.gz RMDBIZOXYAJVNM-GFCCVEGCSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@@H](NCC1(CCO)CCCCC1)C1C[NH2+]C1 ZINC000423007755 387829047 /nfs/dbraw/zinc/82/90/47/387829047.db2.gz RMDBIZOXYAJVNM-GFCCVEGCSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423011335 387833075 /nfs/dbraw/zinc/83/30/75/387833075.db2.gz IQIOMKMACSITBD-VGMNWLOBSA-N 1 3 240.269 1.017 20 0 BDADHO C[C@H](NC[C@H]1CCC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000423010101 387834377 /nfs/dbraw/zinc/83/43/77/387834377.db2.gz WYYTUBNNADSIGZ-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C[C@H](C)N ZINC000423013772 387835949 /nfs/dbraw/zinc/83/59/49/387835949.db2.gz GRGAIKQMQUPUJV-IRCOFANPSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423014394 387838190 /nfs/dbraw/zinc/83/81/90/387838190.db2.gz IIRNMYWAURMSNZ-IRCOFANPSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](CO)CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423015794 387838421 /nfs/dbraw/zinc/83/84/21/387838421.db2.gz RTIQGVUEINFNPF-FRRDWIJNSA-N 1 3 228.380 1.515 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423073904 387873528 /nfs/dbraw/zinc/87/35/28/387873528.db2.gz SONWTBNHXVBDJS-NNYUYHANSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423018726 387841441 /nfs/dbraw/zinc/84/14/41/387841441.db2.gz RZLZJCGRXWLNDJ-RFQIPJPRSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000423031536 387845286 /nfs/dbraw/zinc/84/52/86/387845286.db2.gz LGIRFAKMHDCHKU-JHJVBQTASA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCCS1 ZINC000423032370 387848648 /nfs/dbraw/zinc/84/86/48/387848648.db2.gz MHCRAJMVTXDBEE-HBNTYKKESA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCCS1 ZINC000423032370 387848651 /nfs/dbraw/zinc/84/86/51/387848651.db2.gz MHCRAJMVTXDBEE-HBNTYKKESA-N 1 3 216.394 1.988 20 0 BDADHO C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034160 387849025 /nfs/dbraw/zinc/84/90/25/387849025.db2.gz PMIFKRZYGLBJDQ-SYCZCVCYSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@H](NC[C@@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038389 387852815 /nfs/dbraw/zinc/85/28/15/387852815.db2.gz YPMYQUNTEZFXKD-WFASDCNBSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1CNC1 ZINC000423038389 387852817 /nfs/dbraw/zinc/85/28/17/387852817.db2.gz YPMYQUNTEZFXKD-WFASDCNBSA-N 1 3 248.370 1.178 20 0 BDADHO C/C=C/C[C@H](CO)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423045323 387856249 /nfs/dbraw/zinc/85/62/49/387856249.db2.gz BZPBOJBOEJMYJP-VMZVSEJASA-N 1 3 200.326 1.029 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC[C@H]1CCCCO1 ZINC000423042897 387856282 /nfs/dbraw/zinc/85/62/82/387856282.db2.gz MPDLCNNFOHUOAG-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000423048776 387856840 /nfs/dbraw/zinc/85/68/40/387856840.db2.gz ITXIQYPDZKCIJF-RKDXNWHRSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000423047940 387857581 /nfs/dbraw/zinc/85/75/81/387857581.db2.gz HTWVNQWGECMEQF-IMIFBBOLSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000423046040 387857667 /nfs/dbraw/zinc/85/76/67/387857667.db2.gz DVMOCIBSHOGBOR-VZZFWQQMSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)C(F)(F)F ZINC000423051895 387859241 /nfs/dbraw/zinc/85/92/41/387859241.db2.gz OOGKCFGRXOOMBW-BIIVOSGPSA-N 1 3 212.259 1.900 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)C(F)(F)F ZINC000423053652 387861927 /nfs/dbraw/zinc/86/19/27/387861927.db2.gz SEBYPEUVPUARLR-GJMOJQLCSA-N 1 3 210.243 1.654 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](CO)Cc1ccccc1 ZINC000423056782 387862969 /nfs/dbraw/zinc/86/29/69/387862969.db2.gz GGZRUESVYYMBOJ-BZPMIXESSA-N 1 3 236.359 1.305 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000423057597 387863423 /nfs/dbraw/zinc/86/34/23/387863423.db2.gz ZRBHUZOHJKMCGK-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCC1(CO)CCCC1 ZINC000423057597 387863426 /nfs/dbraw/zinc/86/34/26/387863426.db2.gz ZRBHUZOHJKMCGK-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423061530 387865018 /nfs/dbraw/zinc/86/50/18/387865018.db2.gz RCACSCYVTULACC-OUAUKWLOSA-N 1 3 200.326 1.271 20 0 BDADHO CN(C)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423063189 387866805 /nfs/dbraw/zinc/86/68/05/387866805.db2.gz VXEOODWSIWIPSU-FUNVUKJBSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000423066546 387869640 /nfs/dbraw/zinc/86/96/40/387869640.db2.gz XAJHJONNXFLHIG-MQYQWHSLSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)[C@@H](O)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423066159 387869815 /nfs/dbraw/zinc/86/98/15/387869815.db2.gz WFBXNLWWRQGKNF-CFKCVQHJSA-N 1 3 224.348 1.018 20 0 BDADHO CC1(C)CCCN(CC[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000423070515 387872591 /nfs/dbraw/zinc/87/25/91/387872591.db2.gz CYLYFIVCZFSKIJ-OLZOCXBDSA-N 1 3 239.407 1.578 20 0 BDADHO CC1(C)CCCN(CCN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000423070515 387872594 /nfs/dbraw/zinc/87/25/94/387872594.db2.gz CYLYFIVCZFSKIJ-OLZOCXBDSA-N 1 3 239.407 1.578 20 0 BDADHO CC[C@H]([NH2+]CCOCCN(C)C)[C@@H]1C[C@@H]1C ZINC000322060101 387872705 /nfs/dbraw/zinc/87/27/05/387872705.db2.gz QWEJEBMYHBZSNW-XQQFMLRXSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCCN1C1CC1 ZINC000423071863 387872732 /nfs/dbraw/zinc/87/27/32/387872732.db2.gz GCNVRHCNGMCGJL-SCRDCRAPSA-N 1 3 239.407 1.719 20 0 BDADHO FC(F)O[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000423110457 387892721 /nfs/dbraw/zinc/89/27/21/387892721.db2.gz IDYPFRMFKLDMIF-NXEZZACHSA-N 1 3 234.290 1.488 20 0 BDADHO FC(F)O[C@@H]1CCC[C@H]1NC1CC[NH2+]CC1 ZINC000423110457 387892728 /nfs/dbraw/zinc/89/27/28/387892728.db2.gz IDYPFRMFKLDMIF-NXEZZACHSA-N 1 3 234.290 1.488 20 0 BDADHO C[C@H](NC[C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109697 387892867 /nfs/dbraw/zinc/89/28/67/387892867.db2.gz NZXIYQRIBCLMJB-XQHKEYJVSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCCN1 ZINC000423109697 387892871 /nfs/dbraw/zinc/89/28/71/387892871.db2.gz NZXIYQRIBCLMJB-XQHKEYJVSA-N 1 3 226.364 1.389 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000423112172 387895670 /nfs/dbraw/zinc/89/56/70/387895670.db2.gz RNMPJWGVGJHGRW-RGOKHQFPSA-N 1 3 218.291 1.747 20 0 BDADHO Cc1cccc(CCCN[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000423112827 387896116 /nfs/dbraw/zinc/89/61/16/387896116.db2.gz YBPCIVIGPDDNGU-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO CSC1(CN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423079812 387876161 /nfs/dbraw/zinc/87/61/61/387876161.db2.gz BAGIZXDIIQSSIX-RKDXNWHRSA-N 1 3 200.351 1.351 20 0 BDADHO [NH3+]CCCCNCc1cc(F)c(F)cc1F ZINC000236210414 387877547 /nfs/dbraw/zinc/87/75/47/387877547.db2.gz WFVOEOHUXWMIKG-UHFFFAOYSA-N 1 3 232.249 1.932 20 0 BDADHO CC[C@@H](NC[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084806 387878065 /nfs/dbraw/zinc/87/80/65/387878065.db2.gz IZCZVYVLYZQVSZ-UTUOFQBUSA-N 1 3 228.405 1.860 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423084305 387878840 /nfs/dbraw/zinc/87/88/40/387878840.db2.gz HQGUDRDPGSSQMT-CHWFTXMASA-N 1 3 228.336 1.044 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000423084305 387878846 /nfs/dbraw/zinc/87/88/46/387878846.db2.gz HQGUDRDPGSSQMT-CHWFTXMASA-N 1 3 228.336 1.044 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423117902 387898461 /nfs/dbraw/zinc/89/84/61/387898461.db2.gz XTIWEDPJXXDWRD-GRYCIOLGSA-N 1 3 246.420 1.472 20 0 BDADHO C[C@@H](NC[C@@H]1CCSC1)[C@@H]1CCCC[NH2+]1 ZINC000423088991 387880530 /nfs/dbraw/zinc/88/05/30/387880530.db2.gz UCTBKQQUKXKCMU-WOPDTQHZSA-N 1 3 228.405 1.860 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423099070 387887205 /nfs/dbraw/zinc/88/72/05/387887205.db2.gz AFSNDRDZKDGFSE-JGVFFNPUSA-N 1 3 222.254 1.798 20 0 BDADHO CCCN1CCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423116116 387899352 /nfs/dbraw/zinc/89/93/52/387899352.db2.gz ZPJMGJAPMFLHLB-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](NCCc1cccc2[nH]ccc21)C1C[NH2+]C1 ZINC000423117590 387899488 /nfs/dbraw/zinc/89/94/88/387899488.db2.gz WDZIKBMHIWNUMY-LLVKDONJSA-N 1 3 243.354 1.908 20 0 BDADHO C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)C1CNC1 ZINC000423117590 387899497 /nfs/dbraw/zinc/89/94/97/387899497.db2.gz WDZIKBMHIWNUMY-LLVKDONJSA-N 1 3 243.354 1.908 20 0 BDADHO C1CC1C([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000168709767 387905014 /nfs/dbraw/zinc/90/50/14/387905014.db2.gz HGOMFZNNIHBKKV-LBPRGKRZSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](NC[C@@H]1COc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000423125960 387905516 /nfs/dbraw/zinc/90/55/16/387905516.db2.gz RAXTUHUCWIZRQS-RWMBFGLXSA-N 1 3 246.354 1.750 20 0 BDADHO COCC(C)(C)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423131481 387909555 /nfs/dbraw/zinc/90/95/55/387909555.db2.gz NZFIAGDSKLDWIB-WDEREUQCSA-N 1 3 214.353 1.247 20 0 BDADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000423133445 387912615 /nfs/dbraw/zinc/91/26/15/387912615.db2.gz KMNCWPMVABKWOE-CYZMBNFOSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)C1CC1 ZINC000423133445 387912619 /nfs/dbraw/zinc/91/26/19/387912619.db2.gz KMNCWPMVABKWOE-CYZMBNFOSA-N 1 3 226.364 1.389 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000423163797 387917774 /nfs/dbraw/zinc/91/77/74/387917774.db2.gz NKCVDOAHHVYEAK-WUHRBBMRSA-N 1 3 226.364 1.661 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423157105 387936959 /nfs/dbraw/zinc/93/69/59/387936959.db2.gz AHKJAXNJDIJJKY-FPYNETTCSA-N 1 3 224.348 1.020 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C2CNC2)CCCCC1 ZINC000423143723 387920013 /nfs/dbraw/zinc/92/00/13/387920013.db2.gz XOXWERBVHFPLOF-LBPRGKRZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423146088 387921788 /nfs/dbraw/zinc/92/17/88/387921788.db2.gz NYGHVQLTIXOAES-YNEHKIRRSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423146086 387923489 /nfs/dbraw/zinc/92/34/89/387923489.db2.gz NYGHVQLTIXOAES-RWMBFGLXSA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@@H](N[C@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150246 387926864 /nfs/dbraw/zinc/92/68/64/387926864.db2.gz BIPIUBGHQBRGOX-UPJWGTAASA-N 1 3 228.380 1.658 20 0 BDADHO CC[C@@H]([NH2+][C@H](C)CCCCO)[C@@H]1CCCN1 ZINC000423150246 387926867 /nfs/dbraw/zinc/92/68/67/387926867.db2.gz BIPIUBGHQBRGOX-UPJWGTAASA-N 1 3 228.380 1.658 20 0 BDADHO COC[C@H](CCC[NH3+])N[C@H]1CCC[C@H]1F ZINC000423149169 387927058 /nfs/dbraw/zinc/92/70/58/387927058.db2.gz XHOQXBIRCFNMEK-AXFHLTTASA-N 1 3 218.316 1.221 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000423148569 387927412 /nfs/dbraw/zinc/92/74/12/387927412.db2.gz VYXOZUMWQCGOMV-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000423148568 387928512 /nfs/dbraw/zinc/92/85/12/387928512.db2.gz VYXOZUMWQCGOMV-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423167069 387951775 /nfs/dbraw/zinc/95/17/75/387951775.db2.gz WDZOKLLONBHSJY-ZOBORPQBSA-N 1 3 240.391 1.645 20 0 BDADHO CC1(C)CCCN1CC[NH2+][C@H]1CCC[C@@H]1N ZINC000423168338 387953096 /nfs/dbraw/zinc/95/30/96/387953096.db2.gz UKWBBGMRVCDJME-RYUDHWBXSA-N 1 3 225.380 1.330 20 0 BDADHO COc1cccc2c1C[C@H](N[C@H](C)C[C@@H](C)[NH3+])C2 ZINC000423170004 387954699 /nfs/dbraw/zinc/95/46/99/387954699.db2.gz KZLKOMMEDWTRQT-NQBHXWOUSA-N 1 3 248.370 1.878 20 0 BDADHO COc1cccc2c1C[C@H]([NH2+][C@H](C)C[C@@H](C)N)C2 ZINC000423170004 387954705 /nfs/dbraw/zinc/95/47/05/387954705.db2.gz KZLKOMMEDWTRQT-NQBHXWOUSA-N 1 3 248.370 1.878 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000423157981 387939380 /nfs/dbraw/zinc/93/93/80/387939380.db2.gz NJNJLDKYGPFIOA-SWHYSGLUSA-N 1 3 232.327 1.900 20 0 BDADHO Cc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])nc1 ZINC000423162388 387942943 /nfs/dbraw/zinc/94/29/43/387942943.db2.gz KYWBNHQTKWTRKJ-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)N)nc1 ZINC000423162388 387942945 /nfs/dbraw/zinc/94/29/45/387942945.db2.gz KYWBNHQTKWTRKJ-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@@H](O)C1 ZINC000423161638 387943396 /nfs/dbraw/zinc/94/33/96/387943396.db2.gz JLYBHDWGDOQXEB-XQHKEYJVSA-N 1 3 226.364 1.410 20 0 BDADHO C[NH2+]CCC(=O)Nc1cc(C)cc(CN)c1 ZINC000424252831 387944605 /nfs/dbraw/zinc/94/46/05/387944605.db2.gz ZNZVORAHXLGNJH-UHFFFAOYSA-N 1 3 221.304 1.002 20 0 BDADHO C[C@@H]1C[C@@H](NC2CCC([NH3+])CC2)c2nccn21 ZINC000329257046 387944748 /nfs/dbraw/zinc/94/47/48/387944748.db2.gz DUPKSXVPPMPCLD-HBIQZDMRSA-N 1 3 234.347 1.748 20 0 BDADHO CCN(C)C(=O)[C@@H](N[C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000423163986 387946457 /nfs/dbraw/zinc/94/64/57/387946457.db2.gz WIQCOMIWYQCKDX-TUAOUCFPSA-N 1 3 243.395 1.205 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000423165224 387947373 /nfs/dbraw/zinc/94/73/73/387947373.db2.gz AUXQUBCEJSMQHF-WHOHXGKFSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000423165717 387947759 /nfs/dbraw/zinc/94/77/59/387947759.db2.gz QEVVMHUCPSCKPZ-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)C1CCC1 ZINC000423165717 387947764 /nfs/dbraw/zinc/94/77/64/387947764.db2.gz QEVVMHUCPSCKPZ-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](NCCN1CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423170393 387956431 /nfs/dbraw/zinc/95/64/31/387956431.db2.gz XYFMNDQJRZYKBO-OLZOCXBDSA-N 1 3 239.407 1.591 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000245452908 387949565 /nfs/dbraw/zinc/94/95/65/387949565.db2.gz QUMBPHPURSNYRJ-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000245452908 387949568 /nfs/dbraw/zinc/94/95/68/387949568.db2.gz QUMBPHPURSNYRJ-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCCC1 ZINC000423166185 387950225 /nfs/dbraw/zinc/95/02/25/387950225.db2.gz QUVRZTLDGUOGBF-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCCC2)[C@@H](C)O1 ZINC000423176605 387963013 /nfs/dbraw/zinc/96/30/13/387963013.db2.gz HGDWZIFVHBZAJI-IJLUTSLNSA-N 1 3 226.364 1.804 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@H]1CCO ZINC000245581645 387964232 /nfs/dbraw/zinc/96/42/32/387964232.db2.gz CPJFBVIWRCCDNV-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCCC[C@H]1CCO ZINC000245581645 387964234 /nfs/dbraw/zinc/96/42/34/387964234.db2.gz CPJFBVIWRCCDNV-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)CS1 ZINC000423183549 387968559 /nfs/dbraw/zinc/96/85/59/387968559.db2.gz MOPVDDHFZMDUNR-WISYIIOYSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)CS1 ZINC000423183549 387968561 /nfs/dbraw/zinc/96/85/61/387968561.db2.gz MOPVDDHFZMDUNR-WISYIIOYSA-N 1 3 228.405 1.858 20 0 BDADHO CO[C@H](c1ccccc1)[C@@H](C)NCCC[NH3+] ZINC000423183826 387969477 /nfs/dbraw/zinc/96/94/77/387969477.db2.gz HWDZNGNJJCWFQO-YPMHNXCESA-N 1 3 222.332 1.701 20 0 BDADHO COCC[C@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171410 387956955 /nfs/dbraw/zinc/95/69/55/387956955.db2.gz OITYWNWIDJJVBT-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO COc1cccc2c1C[C@H](N[C@H]1CCC[C@H]1[NH3+])C2 ZINC000423170909 387957098 /nfs/dbraw/zinc/95/70/98/387957098.db2.gz NDEKUZZXBKJJLT-BNOWGMLFSA-N 1 3 246.354 1.632 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@@H](CO)C1 ZINC000423195047 387980471 /nfs/dbraw/zinc/98/04/71/387980471.db2.gz XHXBHGXIIPLBJQ-NDBYEHHHSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](Cc1coc2ccccc12)NCC[NH3+] ZINC000423186980 387972418 /nfs/dbraw/zinc/97/24/18/387972418.db2.gz OSPAAUHXEDPYGK-SNVBAGLBSA-N 1 3 218.300 1.912 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423202602 387987566 /nfs/dbraw/zinc/98/75/66/387987566.db2.gz BCUPMWWTDATXNN-IHRRRGAJSA-N 1 3 240.391 1.781 20 0 BDADHO CNCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423202253 387988092 /nfs/dbraw/zinc/98/80/92/387988092.db2.gz QLBJZNBLAIEPCB-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO c1cc2c(o1)CCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423201129 387988480 /nfs/dbraw/zinc/98/84/80/387988480.db2.gz HPVDGHSBAKBMRI-CYBMUJFWSA-N 1 3 249.358 1.152 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424368148 387992601 /nfs/dbraw/zinc/99/26/01/387992601.db2.gz AREMZWHLJUZQPC-QPHKQPEJSA-N 1 3 224.348 1.127 20 0 BDADHO [NH3+]CCCN[C@@H](c1cccnc1)C1CCC1 ZINC000423196073 387982171 /nfs/dbraw/zinc/98/21/71/387982171.db2.gz UQEHDPCIXVSFOZ-CYBMUJFWSA-N 1 3 219.332 1.861 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH2+]C)C12CCC2 ZINC000423197676 387983780 /nfs/dbraw/zinc/98/37/80/387983780.db2.gz ANWMBBUFCMRWMQ-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CNC(=O)C[C@@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423200515 387985707 /nfs/dbraw/zinc/98/57/07/387985707.db2.gz MHKJMTFCXNXSGR-LLVKDONJSA-N 1 3 241.379 1.152 20 0 BDADHO C[NH2+]CCCN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000423199315 387986737 /nfs/dbraw/zinc/98/67/37/387986737.db2.gz JQUJDVXILLNSPE-NWDGAFQWSA-N 1 3 228.380 1.778 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)CN1C1CC1 ZINC000424371336 387996987 /nfs/dbraw/zinc/99/69/87/387996987.db2.gz FUPJNEBRRXIZKG-ZMJPVWNMSA-N 1 3 237.391 1.471 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371336 387996993 /nfs/dbraw/zinc/99/69/93/387996993.db2.gz FUPJNEBRRXIZKG-ZMJPVWNMSA-N 1 3 237.391 1.471 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423216597 387999611 /nfs/dbraw/zinc/99/96/11/387999611.db2.gz RWTGPVVEYPTMTG-IHRRRGAJSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246015476 388003185 /nfs/dbraw/zinc/00/31/85/388003185.db2.gz SSCZUFZLJGZCTH-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246015476 388003188 /nfs/dbraw/zinc/00/31/88/388003188.db2.gz SSCZUFZLJGZCTH-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](NCC[C@H](C)[NH3+])c1ccncc1 ZINC000423222866 388003528 /nfs/dbraw/zinc/00/35/28/388003528.db2.gz CZWOKWCOLFGSRJ-JQWIXIFHSA-N 1 3 207.321 1.860 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227568 388010601 /nfs/dbraw/zinc/01/06/01/388010601.db2.gz WFOWKAMUCQZZTI-UMSGYPCISA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423214252 387996694 /nfs/dbraw/zinc/99/66/94/387996694.db2.gz ONFHYTGPMPNHSH-DYEKYZERSA-N 1 3 237.391 1.058 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423227567 388012166 /nfs/dbraw/zinc/01/21/66/388012166.db2.gz WFOWKAMUCQZZTI-RVMXOQNASA-N 1 3 238.375 1.661 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N)[C@@H]1C ZINC000423227825 388013141 /nfs/dbraw/zinc/01/31/41/388013141.db2.gz XEAXPEJAXKXSKK-USZNOCQGSA-N 1 3 242.363 1.291 20 0 BDADHO C[NH2+]CCN[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423228078 388013478 /nfs/dbraw/zinc/01/34/78/388013478.db2.gz YCCAZDZJTJOUQN-ZFWWWQNUSA-N 1 3 247.386 1.458 20 0 BDADHO N[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423249335 388032313 /nfs/dbraw/zinc/03/23/13/388032313.db2.gz ORRZXNSMHJUKDK-ZNMIVQPWSA-N 1 3 247.386 1.794 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000156794499 388035720 /nfs/dbraw/zinc/03/57/20/388035720.db2.gz UCSIHKNYUFXXSP-UONOGXRCSA-N 1 3 241.423 1.648 20 0 BDADHO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](CN)CC(C)C ZINC000423262764 388040190 /nfs/dbraw/zinc/04/01/90/388040190.db2.gz NKKMVVKNSMHKLY-JQWIXIFHSA-N 1 3 238.379 1.753 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H](C)O[C@H]1C ZINC000423264684 388041939 /nfs/dbraw/zinc/04/19/39/388041939.db2.gz QATKILUAOQTYHO-NNYUYHANSA-N 1 3 214.353 1.515 20 0 BDADHO COC[C@@H](NC[C@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263255 388042387 /nfs/dbraw/zinc/04/23/87/388042387.db2.gz ANFOEDWXLZCSFB-QWHCGFSZSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)SCC[NH2+][C@H]1CCC[C@H]1CN ZINC000261527406 135151731 /nfs/dbraw/zinc/15/17/31/135151731.db2.gz AUCNTZVSKBYIFJ-QWRGUYRKSA-N 1 3 216.394 1.845 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+][C@H](CN)CC(C)C)C1 ZINC000423265356 388044096 /nfs/dbraw/zinc/04/40/96/388044096.db2.gz QVGYGPYEOYFBRB-RWMBFGLXSA-N 1 3 227.396 1.290 20 0 BDADHO CC[C@H](NC[C@@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249307 388031394 /nfs/dbraw/zinc/03/13/94/388031394.db2.gz OPFZOBFNLSCNRV-ILXRZTDVSA-N 1 3 247.386 1.807 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423275557 388057155 /nfs/dbraw/zinc/05/71/55/388057155.db2.gz LTNPUVOKDLCLKZ-IRCOFANPSA-N 1 3 214.353 1.517 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H](C)C[NH2+]C ZINC000423281961 388063439 /nfs/dbraw/zinc/06/34/39/388063439.db2.gz VZVJINYIGPCMGU-VXGBXAGGSA-N 1 3 243.395 1.079 20 0 BDADHO CC(C)O[C@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423287788 388072834 /nfs/dbraw/zinc/07/28/34/388072834.db2.gz OOMBPVNZSCXLPL-QWRGUYRKSA-N 1 3 228.380 1.905 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CCO[C@@H](C)C1 ZINC000423288722 388073633 /nfs/dbraw/zinc/07/36/33/388073633.db2.gz UQTJQGSUMJYFGG-WDEREUQCSA-N 1 3 214.353 1.661 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423289324 388074380 /nfs/dbraw/zinc/07/43/80/388074380.db2.gz WTQBLWRGYPYSTG-TUAOUCFPSA-N 1 3 238.375 1.661 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000084217587 388074802 /nfs/dbraw/zinc/07/48/02/388074802.db2.gz TZXRQPSWHSXFOB-YPMHNXCESA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccccn1 ZINC000084217587 388074806 /nfs/dbraw/zinc/07/48/06/388074806.db2.gz TZXRQPSWHSXFOB-YPMHNXCESA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOC1CCCC1 ZINC000084222067 388075723 /nfs/dbraw/zinc/07/57/23/388075723.db2.gz NIHQFJTZPGDDDD-YPMHNXCESA-N 1 3 226.364 1.663 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000084222067 388075727 /nfs/dbraw/zinc/07/57/27/388075727.db2.gz NIHQFJTZPGDDDD-YPMHNXCESA-N 1 3 226.364 1.663 20 0 BDADHO [NH3+]C[C@H]1CCCN1C[C@H]1CCSC1 ZINC000261527745 135152358 /nfs/dbraw/zinc/15/23/58/135152358.db2.gz GRVPJQXRTHZVOF-NXEZZACHSA-N 1 3 200.351 1.163 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000423297090 388078035 /nfs/dbraw/zinc/07/80/35/388078035.db2.gz IRGLACPRLHCFAN-IRCOFANPSA-N 1 3 214.353 1.659 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H]1CCC(=O)NC1(C)C ZINC000423296911 388078410 /nfs/dbraw/zinc/07/84/10/388078410.db2.gz HZGCTDYYNIRYTM-GHMZBOCLSA-N 1 3 241.379 1.151 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423297367 388079492 /nfs/dbraw/zinc/07/94/92/388079492.db2.gz KAJOYTAACUWRRW-LPWJVIDDSA-N 1 3 238.375 1.519 20 0 BDADHO COCC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166567922 388254927 /nfs/dbraw/zinc/25/49/27/388254927.db2.gz SRCBFKQHQDVCIW-LBPRGKRZSA-N 1 3 216.369 1.731 20 0 BDADHO C[C@@H]1[C@H](CO)CCN1CCC[NH+]1CCCCC1 ZINC000488750517 388194343 /nfs/dbraw/zinc/19/43/43/388194343.db2.gz UMCUWDLYZCPCGF-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](CNC1CC[NH+](C(C)(C)C)CC1)N(C)C ZINC000449557385 388232097 /nfs/dbraw/zinc/23/20/97/388232097.db2.gz QLROQGRTYAOIDX-LBPRGKRZSA-N 1 3 241.423 1.789 20 0 BDADHO C[C@H](C[NH2+]C/C=C\c1ccncc1)CN(C)C ZINC000491597210 388304810 /nfs/dbraw/zinc/30/48/10/388304810.db2.gz SHBFLHBNTHGQME-DSYXLKISSA-N 1 3 233.359 1.882 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C(C)C ZINC000336662761 388261414 /nfs/dbraw/zinc/26/14/14/388261414.db2.gz CPKPLUPSNKASLC-TUAOUCFPSA-N 1 3 214.353 1.245 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000336662761 388261416 /nfs/dbraw/zinc/26/14/16/388261416.db2.gz CPKPLUPSNKASLC-TUAOUCFPSA-N 1 3 214.353 1.245 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1(C)C ZINC000234859671 388362372 /nfs/dbraw/zinc/36/23/72/388362372.db2.gz WCNAWOGZIQSAJG-WISYIIOYSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000234859671 388362376 /nfs/dbraw/zinc/36/23/76/388362376.db2.gz WCNAWOGZIQSAJG-WISYIIOYSA-N 1 3 226.364 1.659 20 0 BDADHO Cc1ccccc1C[C@@H](C)N[C@@H](C)C[NH3+] ZINC000235151117 388366458 /nfs/dbraw/zinc/36/64/58/388366458.db2.gz PIBVJKMFCMZMPQ-NEPJUHHUSA-N 1 3 206.333 1.863 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCn2cccn2)C1 ZINC000163723197 388367017 /nfs/dbraw/zinc/36/70/17/388367017.db2.gz WKOXTYDTZYMVKW-NWDGAFQWSA-N 1 3 222.336 1.133 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@](C)(O)C1 ZINC000228219649 388379811 /nfs/dbraw/zinc/37/98/11/388379811.db2.gz TVGZXACRYXXBJO-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@](C)(O)C1 ZINC000228219649 388379812 /nfs/dbraw/zinc/37/98/12/388379812.db2.gz TVGZXACRYXXBJO-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236748663 388382550 /nfs/dbraw/zinc/38/25/50/388382550.db2.gz ATPLIFOTZCYCBF-VXGBXAGGSA-N 1 3 241.379 1.010 20 0 BDADHO NCc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000646579802 388388355 /nfs/dbraw/zinc/38/83/55/388388355.db2.gz PXZHPKHJZLJYLE-UHFFFAOYSA-N 1 3 233.315 1.213 20 0 BDADHO CNCc1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000237253260 388392204 /nfs/dbraw/zinc/39/22/04/388392204.db2.gz WBCSRNIIADXMLQ-SNVBAGLBSA-N 1 3 235.331 1.200 20 0 BDADHO [NH3+]C1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000300807286 388395827 /nfs/dbraw/zinc/39/58/27/388395827.db2.gz DQXZUCJNEDXWFY-SECBINFHSA-N 1 3 218.291 1.845 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNCC1(C)C ZINC000300861954 388399680 /nfs/dbraw/zinc/39/96/80/388399680.db2.gz PIUBPIKVNSPJER-TUAOUCFPSA-N 1 3 226.364 1.389 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573058835 388414941 /nfs/dbraw/zinc/41/49/41/388414941.db2.gz FIERLNXUEIDLDO-RFQIPJPRSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000393633847 388435801 /nfs/dbraw/zinc/43/58/01/388435801.db2.gz LJBUGROSDCADHJ-RWMBFGLXSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)CN(C)C ZINC000340392662 388489373 /nfs/dbraw/zinc/48/93/73/388489373.db2.gz ZWQHATJJWFPRDJ-AGIUHOORSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](F)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340467028 388490655 /nfs/dbraw/zinc/49/06/55/388490655.db2.gz NWNVTRXLRWMESY-SDDRHHMPSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@H](F)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340467028 388490659 /nfs/dbraw/zinc/49/06/59/388490659.db2.gz NWNVTRXLRWMESY-SDDRHHMPSA-N 1 3 214.328 1.951 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397776169 388498246 /nfs/dbraw/zinc/49/82/46/388498246.db2.gz MXOKQXZIDXYRTM-IEECTRCBSA-N 1 3 208.349 1.892 20 0 BDADHO CCOC[C@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000261556894 135197275 /nfs/dbraw/zinc/19/72/75/135197275.db2.gz WNPNUMKJGCIHBG-NSHDSACASA-N 1 3 214.353 1.472 20 0 BDADHO CCOC[C@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000261556894 135197276 /nfs/dbraw/zinc/19/72/76/135197276.db2.gz WNPNUMKJGCIHBG-NSHDSACASA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860843 388507701 /nfs/dbraw/zinc/50/77/01/388507701.db2.gz YEABWGIHOOOONL-NEPJUHHUSA-N 1 3 225.380 1.010 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000520838199 256815648 /nfs/dbraw/zinc/81/56/48/256815648.db2.gz SWYVQKRQCYSHFQ-BFHYXJOUSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H](c1cccnc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841054 388604528 /nfs/dbraw/zinc/60/45/28/388604528.db2.gz XNCBJRYFVSRNOG-NTZNESFSSA-N 1 3 219.332 1.669 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCCOC1 ZINC000356836048 388550959 /nfs/dbraw/zinc/55/09/59/388550959.db2.gz CUSSNQJIFBRIOY-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCOC1 ZINC000356836050 388551080 /nfs/dbraw/zinc/55/10/80/388551080.db2.gz CUSSNQJIFBRIOY-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000621702205 388677232 /nfs/dbraw/zinc/67/72/32/388677232.db2.gz LBTLXMNYHCMQJH-GXFFZTMASA-N 1 3 247.342 1.075 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)OC)[C@@H](C)C1 ZINC000248416165 388678279 /nfs/dbraw/zinc/67/82/79/388678279.db2.gz IOFRTIOQOZPPFE-AVGNSLFASA-N 1 3 228.380 1.683 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)OC)[C@@H](C)C1 ZINC000248416165 388678282 /nfs/dbraw/zinc/67/82/82/388678282.db2.gz IOFRTIOQOZPPFE-AVGNSLFASA-N 1 3 228.380 1.683 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1CO ZINC000521609707 388618665 /nfs/dbraw/zinc/61/86/65/388618665.db2.gz IJVXIFZYRBGXMP-RISCZKNCSA-N 1 3 234.343 1.396 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530176843 388622156 /nfs/dbraw/zinc/62/21/56/388622156.db2.gz DCTWFGLGMJLHDU-WXRRBKDZSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000530179944 388622708 /nfs/dbraw/zinc/62/27/08/388622708.db2.gz ZAEJYUAEVZIECD-BZPMIXESSA-N 1 3 249.402 1.486 20 0 BDADHO COC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C1CC1 ZINC000248560714 388684241 /nfs/dbraw/zinc/68/42/41/388684241.db2.gz JITDOZHYEACNBP-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000248560714 388684244 /nfs/dbraw/zinc/68/42/44/388684244.db2.gz JITDOZHYEACNBP-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@@H](NCC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000248560714 388684247 /nfs/dbraw/zinc/68/42/47/388684247.db2.gz JITDOZHYEACNBP-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCOC2)CCN1 ZINC000530213016 388627486 /nfs/dbraw/zinc/62/74/86/388627486.db2.gz SUBAAPHHJYUASD-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)C[C@H]([NH2+]CC[C@H]2CCCOC2)CCN1 ZINC000530212954 388627503 /nfs/dbraw/zinc/62/75/03/388627503.db2.gz SGFNHPLIWZYNBT-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2cn(C)nc2c1 ZINC000530219013 388632027 /nfs/dbraw/zinc/63/20/27/388632027.db2.gz OOKKEVLGDAJSLE-MNOVXSKESA-N 1 3 246.358 1.789 20 0 BDADHO COCCC1CC[NH+](C[C@H](C)N)CC1 ZINC000530221491 388633236 /nfs/dbraw/zinc/63/32/36/388633236.db2.gz DZZNYPQZGWMRPF-JTQLQIEISA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H]1CC(F)(F)CCN1CCN1CC[NH2+]CC1 ZINC000530231178 388637175 /nfs/dbraw/zinc/63/71/75/388637175.db2.gz FMJHNMNNBNPYFH-NSHDSACASA-N 1 3 247.333 1.011 20 0 BDADHO CCOCCN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246479291 388637489 /nfs/dbraw/zinc/63/74/89/388637489.db2.gz HNOYXUSXEGZNQP-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CCOCCN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246479291 388637493 /nfs/dbraw/zinc/63/74/93/388637493.db2.gz HNOYXUSXEGZNQP-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000251469883 388644471 /nfs/dbraw/zinc/64/44/71/388644471.db2.gz VRLUZAMIMVJPDT-RNJOBUHISA-N 1 3 226.364 1.255 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@H](C)C(=O)OC ZINC000191450390 388662653 /nfs/dbraw/zinc/66/26/53/388662653.db2.gz UAZIXVDDNWBDDM-LBPRGKRZSA-N 1 3 244.379 1.459 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000191450390 388662655 /nfs/dbraw/zinc/66/26/55/388662655.db2.gz UAZIXVDDNWBDDM-LBPRGKRZSA-N 1 3 244.379 1.459 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128025793 388736595 /nfs/dbraw/zinc/73/65/95/388736595.db2.gz LQGUNSNPUSZUJB-AAVRWANBSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128025793 388736598 /nfs/dbraw/zinc/73/65/98/388736598.db2.gz LQGUNSNPUSZUJB-AAVRWANBSA-N 1 3 238.375 1.506 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000250838232 388741624 /nfs/dbraw/zinc/74/16/24/388741624.db2.gz LGBOJPPCTGFUNF-QJPTWQEYSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@@H](CO)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227536228 388752300 /nfs/dbraw/zinc/75/23/00/388752300.db2.gz UHWHQDPSACDLKS-AXTRIDKLSA-N 1 3 206.289 1.102 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248639521 388688102 /nfs/dbraw/zinc/68/81/02/388688102.db2.gz MVWZRMHOXCJXBK-LZLIAMDJSA-N 1 3 238.375 1.530 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248639521 388688105 /nfs/dbraw/zinc/68/81/05/388688105.db2.gz MVWZRMHOXCJXBK-LZLIAMDJSA-N 1 3 238.375 1.530 20 0 BDADHO C[C@H]1C[N@H+](CCCN2CCCCC2)CC[C@H]1O ZINC000249297551 388716461 /nfs/dbraw/zinc/71/64/61/388716461.db2.gz BNUSZNCXPSGADQ-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1C[N@@H+](CCCN2CCCCC2)CC[C@H]1O ZINC000249297551 388716463 /nfs/dbraw/zinc/71/64/63/388716463.db2.gz BNUSZNCXPSGADQ-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO COC[C@@H](C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249452211 388721838 /nfs/dbraw/zinc/72/18/38/388721838.db2.gz CPTQOTDBTDMPPK-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249452211 388721841 /nfs/dbraw/zinc/72/18/41/388721841.db2.gz CPTQOTDBTDMPPK-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@@H](C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249452211 388721842 /nfs/dbraw/zinc/72/18/42/388721842.db2.gz CPTQOTDBTDMPPK-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN[C@H]1C[C@@H](O)C1(C)C ZINC000253096406 388802823 /nfs/dbraw/zinc/80/28/23/388802823.db2.gz LSOPESNUDIMQDQ-FRRDWIJNSA-N 1 3 240.391 1.610 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN[C@H]1C[C@@H](O)C1(C)C ZINC000253096406 388802825 /nfs/dbraw/zinc/80/28/25/388802825.db2.gz LSOPESNUDIMQDQ-FRRDWIJNSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000229971564 388808758 /nfs/dbraw/zinc/80/87/58/388808758.db2.gz IBIXLGQASCBINE-GRYCIOLGSA-N 1 3 214.353 1.110 20 0 BDADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000252733219 388778557 /nfs/dbraw/zinc/77/85/57/388778557.db2.gz YKQGSUPOBNAGAZ-AAVRWANBSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000252733219 388778558 /nfs/dbraw/zinc/77/85/58/388778558.db2.gz YKQGSUPOBNAGAZ-AAVRWANBSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000252733219 388778561 /nfs/dbraw/zinc/77/85/61/388778561.db2.gz YKQGSUPOBNAGAZ-AAVRWANBSA-N 1 3 238.375 1.506 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)CN1CCCC1 ZINC000129155386 388821825 /nfs/dbraw/zinc/82/18/25/388821825.db2.gz HVGJPHPBMFMEEN-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](CNCc1ccc2[nH]cnc2c1)C[NH+](C)C ZINC000555582198 388855590 /nfs/dbraw/zinc/85/55/90/388855590.db2.gz DQCXVMUHHXNVAQ-NSHDSACASA-N 1 3 246.358 1.850 20 0 BDADHO C[C@@H](CNCc1ccc2nc[nH]c2c1)C[NH+](C)C ZINC000555582198 388855596 /nfs/dbraw/zinc/85/55/96/388855596.db2.gz DQCXVMUHHXNVAQ-NSHDSACASA-N 1 3 246.358 1.850 20 0 BDADHO CS[C@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000556111483 388868020 /nfs/dbraw/zinc/86/80/20/388868020.db2.gz UZBZXMWXCQODBJ-LBPRGKRZSA-N 1 3 228.405 1.910 20 0 BDADHO CS[C@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000556111483 388868022 /nfs/dbraw/zinc/86/80/22/388868022.db2.gz UZBZXMWXCQODBJ-LBPRGKRZSA-N 1 3 228.405 1.910 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2)CCN1C ZINC000129731591 388868583 /nfs/dbraw/zinc/86/85/83/388868583.db2.gz NWNMNMZTWHLIBD-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CCC3(CCCC3)O2)C1 ZINC000300006944 388845663 /nfs/dbraw/zinc/84/56/63/388845663.db2.gz WZTRCIHZRCNMBQ-QWHCGFSZSA-N 1 3 238.375 1.759 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+]CC1(N)CCCCC1 ZINC000564822858 388891545 /nfs/dbraw/zinc/89/15/45/388891545.db2.gz NPEZZKFNLIAHSK-GFCCVEGCSA-N 1 3 248.374 1.659 20 0 BDADHO Cc1cnccc1CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000564897658 388897048 /nfs/dbraw/zinc/89/70/48/388897048.db2.gz UTOZPMPFHCVVMA-CQSZACIVSA-N 1 3 247.386 1.816 20 0 BDADHO Cc1cnccc1CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000564897658 388897049 /nfs/dbraw/zinc/89/70/49/388897049.db2.gz UTOZPMPFHCVVMA-CQSZACIVSA-N 1 3 247.386 1.816 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000564440438 388876335 /nfs/dbraw/zinc/87/63/35/388876335.db2.gz FHHOQZCXAZQGPQ-ZDEQEGDKSA-N 1 3 226.364 1.532 20 0 BDADHO CC1(C)C[N@H+](CCCN2CCCCC2)C[C@H]1O ZINC000564527341 388877180 /nfs/dbraw/zinc/87/71/80/388877180.db2.gz HFTYLDCIYYCXQI-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC1(C)C[N@@H+](CCCN2CCCCC2)C[C@H]1O ZINC000564527341 388877184 /nfs/dbraw/zinc/87/71/84/388877184.db2.gz HFTYLDCIYYCXQI-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CCNCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000566004137 388982261 /nfs/dbraw/zinc/98/22/61/388982261.db2.gz WNYQZSYZZCUVIS-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH2+]CCCN[C@H]1CCO[C@@H](C(C)C)C1 ZINC000566004137 388982263 /nfs/dbraw/zinc/98/22/63/388982263.db2.gz WNYQZSYZZCUVIS-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO C([C@H]1CCSC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257641398 533376397 /nfs/dbraw/zinc/37/63/97/533376397.db2.gz AZZBCXLCSLVXBO-NEPJUHHUSA-N 1 3 226.389 1.425 20 0 BDADHO C[C@@H](N[C@@H](C)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400709338 533495458 /nfs/dbraw/zinc/49/54/58/533495458.db2.gz LWASCNCEWQBUGW-DMDPSCGWSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCCN1 ZINC000400709338 533495463 /nfs/dbraw/zinc/49/54/63/533495463.db2.gz LWASCNCEWQBUGW-DMDPSCGWSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc(N)c2)C1 ZINC000335964115 134027679 /nfs/dbraw/zinc/02/76/79/134027679.db2.gz QUZSZADBNGOKGV-ZYHUDNBSSA-N 1 3 219.332 1.438 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H](O)C2)CC1 ZINC000336210476 134134089 /nfs/dbraw/zinc/13/40/89/134134089.db2.gz TUJGASAXFLVQQY-TXEJJXNPSA-N 1 3 226.364 1.362 20 0 BDADHO COC[C@@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000220372964 134306276 /nfs/dbraw/zinc/30/62/76/134306276.db2.gz FFQPPOQSNNTSNE-SNVBAGLBSA-N 1 3 200.326 1.082 20 0 BDADHO COC[C@@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000220372964 134306277 /nfs/dbraw/zinc/30/62/77/134306277.db2.gz FFQPPOQSNNTSNE-SNVBAGLBSA-N 1 3 200.326 1.082 20 0 BDADHO CC[NH+](CC)CCCNC1CC(OC)C1 ZINC000221253189 134322330 /nfs/dbraw/zinc/32/23/30/134322330.db2.gz FWJVLCJHLCBQQG-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CCN(CC)CCC[NH2+]C1CC(OC)C1 ZINC000221253189 134322331 /nfs/dbraw/zinc/32/23/31/134322331.db2.gz FWJVLCJHLCBQQG-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CC[C@H](COC)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223020433 134336138 /nfs/dbraw/zinc/33/61/38/134336138.db2.gz OJDOEFKKROWIHP-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+]C1CCN(CC)CC1 ZINC000223096122 134336287 /nfs/dbraw/zinc/33/62/87/134336287.db2.gz PHISBFDRXCTTIZ-ZDUSSCGKSA-N 1 3 241.423 1.791 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000250358136 135052821 /nfs/dbraw/zinc/05/28/21/135052821.db2.gz SPUHRECXDWQPIQ-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1N ZINC000251914471 135080916 /nfs/dbraw/zinc/08/09/16/135080916.db2.gz XLLLBAVUSWFOFR-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@H]1N ZINC000251914471 135080917 /nfs/dbraw/zinc/08/09/17/135080917.db2.gz XLLLBAVUSWFOFR-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000251914471 135080919 /nfs/dbraw/zinc/08/09/19/135080919.db2.gz XLLLBAVUSWFOFR-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO CN(CCOCC[NH3+])Cc1cccs1 ZINC000086435391 135084268 /nfs/dbraw/zinc/08/42/68/135084268.db2.gz LKFZRBOMWNHYKZ-UHFFFAOYSA-N 1 3 214.334 1.155 20 0 BDADHO C[C@@H]1C[C@@H]1N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000252166564 135085616 /nfs/dbraw/zinc/08/56/16/135085616.db2.gz QNPRAFJMGYZFPL-SJHCENCUSA-N 1 3 208.349 1.905 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000252689866 135097080 /nfs/dbraw/zinc/09/70/80/135097080.db2.gz SLDVMTLEWAVPDO-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCO[C@@H]2C)C1 ZINC000252689866 135097081 /nfs/dbraw/zinc/09/70/81/135097081.db2.gz SLDVMTLEWAVPDO-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CCO[C@@H]2C)C1 ZINC000252689866 135097083 /nfs/dbraw/zinc/09/70/83/135097083.db2.gz SLDVMTLEWAVPDO-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252691600 135097303 /nfs/dbraw/zinc/09/73/03/135097303.db2.gz YMSOLVLADSQKEY-CYDGBPFRSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252691600 135097305 /nfs/dbraw/zinc/09/73/05/135097305.db2.gz YMSOLVLADSQKEY-CYDGBPFRSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H]1CN(C)CCN1CC[C@H]1CCC[NH2+]C1 ZINC000257772796 135100613 /nfs/dbraw/zinc/10/06/13/135100613.db2.gz DOALNLRSWXMMOR-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000252712382 135100703 /nfs/dbraw/zinc/10/07/03/135100703.db2.gz MHTDNIYVGZITHB-MQYQWHSLSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@H](O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000252745820 135106246 /nfs/dbraw/zinc/10/62/46/135106246.db2.gz PPHOWPQNJJQMOL-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000252745820 135106248 /nfs/dbraw/zinc/10/62/48/135106248.db2.gz PPHOWPQNJJQMOL-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2ccccc21)[C@H](C)N ZINC000261535821 135109057 /nfs/dbraw/zinc/10/90/57/135109057.db2.gz PHZHYRZJNBMEFY-CWSCBRNRSA-N 1 3 204.317 1.999 20 0 BDADHO CO[C@H](C)CN(C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000261975261 135113140 /nfs/dbraw/zinc/11/31/40/135113140.db2.gz IQXHNQIBHBGQPG-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253020461 135119203 /nfs/dbraw/zinc/11/92/03/135119203.db2.gz JSWWDOPBEFBJRN-REWJHTLYSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000258884648 135135560 /nfs/dbraw/zinc/13/55/60/135135560.db2.gz GQZJEGYPKRHNMB-CHWSQXEVSA-N 1 3 204.317 1.964 20 0 BDADHO C([C@H]1CCCOC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257673719 135138386 /nfs/dbraw/zinc/13/83/86/135138386.db2.gz JEOCGPBGTNUWTB-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccsc3)C[C@@H]12 ZINC000261531457 135159904 /nfs/dbraw/zinc/15/99/04/135159904.db2.gz GOSNKUFOSOYWGI-QJPTWQEYSA-N 1 3 222.357 1.917 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000261532442 135162272 /nfs/dbraw/zinc/16/22/72/135162272.db2.gz BMEWYWSUQLJXTR-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CN(CC[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000261533688 135165893 /nfs/dbraw/zinc/16/58/93/135165893.db2.gz KAQNKDPROJECQL-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+](CC[C@H]1CCCO1)C[C@H]1CCCNC1 ZINC000261533688 135165894 /nfs/dbraw/zinc/16/58/94/135165894.db2.gz KAQNKDPROJECQL-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC[C@H]1CCCO1)C[C@H]1CCCNC1 ZINC000261533688 135165895 /nfs/dbraw/zinc/16/58/95/135165895.db2.gz KAQNKDPROJECQL-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261534912 135168979 /nfs/dbraw/zinc/16/89/79/135168979.db2.gz NJPZKYIVEGKNRB-WDEREUQCSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C[C@@H]1CN ZINC000261535779 135170557 /nfs/dbraw/zinc/17/05/57/135170557.db2.gz PDHGBUKNOZAVBG-UTUOFQBUSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C[C@@H]1CN ZINC000261535779 135170558 /nfs/dbraw/zinc/17/05/58/135170558.db2.gz PDHGBUKNOZAVBG-UTUOFQBUSA-N 1 3 228.405 1.656 20 0 BDADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000261537050 135173232 /nfs/dbraw/zinc/17/32/32/135173232.db2.gz URKCBNFTZWTUJP-DGCLKSJQSA-N 1 3 204.317 1.774 20 0 BDADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000261537050 135173233 /nfs/dbraw/zinc/17/32/33/135173233.db2.gz URKCBNFTZWTUJP-DGCLKSJQSA-N 1 3 204.317 1.774 20 0 BDADHO CC(C)OCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261537854 135174440 /nfs/dbraw/zinc/17/44/40/135174440.db2.gz WLOKXUNHFYPQAR-TUAOUCFPSA-N 1 3 212.337 1.081 20 0 BDADHO Cc1noc(C)c1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261538313 135175768 /nfs/dbraw/zinc/17/57/68/135175768.db2.gz ZELCKBZFYYUCOG-VXGBXAGGSA-N 1 3 237.347 1.899 20 0 BDADHO CSC[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261539267 135177851 /nfs/dbraw/zinc/17/78/51/135177851.db2.gz BZNSXUIEKIOBLO-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO CSC[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261539267 135177852 /nfs/dbraw/zinc/17/78/52/135177852.db2.gz BZNSXUIEKIOBLO-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccccc3)C[C@H]12 ZINC000261558204 135198633 /nfs/dbraw/zinc/19/86/33/135198633.db2.gz CZMBIXKLBILUPF-AEGPPILISA-N 1 3 246.354 1.735 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000261560069 135201508 /nfs/dbraw/zinc/20/15/08/135201508.db2.gz ZMCNCLMPIYBPAL-YPMHNXCESA-N 1 3 208.349 1.718 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000261560069 135201509 /nfs/dbraw/zinc/20/15/09/135201509.db2.gz ZMCNCLMPIYBPAL-YPMHNXCESA-N 1 3 208.349 1.718 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCC1 ZINC000261568738 135210755 /nfs/dbraw/zinc/21/07/55/135210755.db2.gz FURRKIAPTHYYGC-NEPJUHHUSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@](C[NH3+])(NCCOCC1CC1)C1CC1 ZINC000261585462 135226748 /nfs/dbraw/zinc/22/67/48/135226748.db2.gz QJTOLVWZJGRPNJ-GFCCVEGCSA-N 1 3 212.337 1.130 20 0 BDADHO NC[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261595782 135236248 /nfs/dbraw/zinc/23/62/48/135236248.db2.gz YLVXPRZFJUJMTH-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261595782 135236249 /nfs/dbraw/zinc/23/62/49/135236249.db2.gz YLVXPRZFJUJMTH-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@H]1CCCN(CC[C@@H]2CCOC2)C1 ZINC000261595782 135236251 /nfs/dbraw/zinc/23/62/51/135236251.db2.gz YLVXPRZFJUJMTH-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000261596882 135237241 /nfs/dbraw/zinc/23/72/41/135237241.db2.gz ZAWUGJVUASMIOZ-STQMWFEESA-N 1 3 224.348 1.241 20 0 BDADHO C[C@@H]1N(CC(C)(C)[NH3+])CCC12CCOCC2 ZINC000261652208 135242309 /nfs/dbraw/zinc/24/23/09/135242309.db2.gz BCEADHIQDUXBDC-NSHDSACASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@H](C)CN1C ZINC000261654268 135242579 /nfs/dbraw/zinc/24/25/79/135242579.db2.gz BGTBJKWNSHSIJM-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO Cc1cc(CNC[C@H]2CC[NH2+][C@@H](C)C2)on1 ZINC000261728682 135248371 /nfs/dbraw/zinc/24/83/71/135248371.db2.gz ODOKIPLFGAXXRU-ONGXEEELSA-N 1 3 223.320 1.461 20 0 BDADHO CC[C@]1(CO)CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261749220 135250021 /nfs/dbraw/zinc/25/00/21/135250021.db2.gz CBSKYKYCVNPEET-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@]1(CO)CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261749220 135250022 /nfs/dbraw/zinc/25/00/22/135250022.db2.gz CBSKYKYCVNPEET-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@]1(CO)CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261749220 135250023 /nfs/dbraw/zinc/25/00/23/135250023.db2.gz CBSKYKYCVNPEET-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000261833773 135255857 /nfs/dbraw/zinc/25/58/57/135255857.db2.gz JIIBOUWMLFHXBU-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000261833773 135255860 /nfs/dbraw/zinc/25/58/60/135255860.db2.gz JIIBOUWMLFHXBU-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO CN(CC[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261948453 135265497 /nfs/dbraw/zinc/26/54/97/135265497.db2.gz FQPVHTSTAKKGPG-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262009935 135272062 /nfs/dbraw/zinc/27/20/62/135272062.db2.gz BWAPFUAKUKZEHW-JTQLQIEISA-N 1 3 247.342 1.200 20 0 BDADHO COC[C@@H]1CCCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044697 135275831 /nfs/dbraw/zinc/27/58/31/135275831.db2.gz PPJNTWBATUJNHI-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CNCC1CCCCCC1 ZINC000262069754 135276470 /nfs/dbraw/zinc/27/64/70/135276470.db2.gz BZLVTNNNLHSCIB-QWHCGFSZSA-N 1 3 226.364 1.127 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000262069754 135276471 /nfs/dbraw/zinc/27/64/71/135276471.db2.gz BZLVTNNNLHSCIB-QWHCGFSZSA-N 1 3 226.364 1.127 20 0 BDADHO CCOC[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262144618 135281299 /nfs/dbraw/zinc/28/12/99/135281299.db2.gz ZKTXBLNUGNXVJE-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CC[C@@H]1CCC[N@H+](CCN2CCNCC2)CC1 ZINC000079342598 135307015 /nfs/dbraw/zinc/30/70/15/135307015.db2.gz VCDZMYNMZPVNAI-CQSZACIVSA-N 1 3 239.407 1.404 20 0 BDADHO CC[C@@H]1CCC[N@@H+](CCN2CCNCC2)CC1 ZINC000079342598 135307017 /nfs/dbraw/zinc/30/70/17/135307017.db2.gz VCDZMYNMZPVNAI-CQSZACIVSA-N 1 3 239.407 1.404 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262589639 135307546 /nfs/dbraw/zinc/30/75/46/135307546.db2.gz QNCJRQHLHDBQIS-LOWVWBTDSA-N 1 3 241.379 1.090 20 0 BDADHO NC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000262757960 135317038 /nfs/dbraw/zinc/31/70/38/135317038.db2.gz FAEJVLVDHGRYEL-GHMZBOCLSA-N 1 3 239.363 1.034 20 0 BDADHO C(C[N@@H+]1C[C@H]2CCCN[C@@H]2C1)[C@@H]1CCOC1 ZINC000348102677 136036698 /nfs/dbraw/zinc/03/66/98/136036698.db2.gz BFUXBZUKXWVOOC-JHJVBQTASA-N 1 3 224.348 1.097 20 0 BDADHO C(C[N@H+]1C[C@H]2CCCN[C@@H]2C1)[C@@H]1CCOC1 ZINC000348102677 136036699 /nfs/dbraw/zinc/03/66/99/136036699.db2.gz BFUXBZUKXWVOOC-JHJVBQTASA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C(F)F)CC[N@@H+]1C ZINC000348152227 136039867 /nfs/dbraw/zinc/03/98/67/136039867.db2.gz BHJHPNKJPYHSFC-ZYUZMQFOSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]2C(F)F)CC[N@H+]1C ZINC000348152227 136039868 /nfs/dbraw/zinc/03/98/68/136039868.db2.gz BHJHPNKJPYHSFC-ZYUZMQFOSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@@H]([NH3+])c1ccc(C(=O)N2CCCNCC2)cc1 ZINC000335390031 136090732 /nfs/dbraw/zinc/09/07/32/136090732.db2.gz KSFRJRXRFBDTKV-LLVKDONJSA-N 1 3 247.342 1.142 20 0 BDADHO CN1CCC[C@@H]1C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000649539489 397933550 /nfs/dbraw/zinc/93/35/50/397933550.db2.gz XDJDHCACNSTFRO-UONOGXRCSA-N 1 3 239.407 1.354 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000649539489 397933551 /nfs/dbraw/zinc/93/35/51/397933551.db2.gz XDJDHCACNSTFRO-UONOGXRCSA-N 1 3 239.407 1.354 20 0 BDADHO NCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000414669044 398011909 /nfs/dbraw/zinc/01/19/09/398011909.db2.gz BBWYYXFNQAOQME-AWEZNQCLSA-N 1 3 218.344 1.900 20 0 BDADHO NCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000414669044 398011911 /nfs/dbraw/zinc/01/19/11/398011911.db2.gz BBWYYXFNQAOQME-AWEZNQCLSA-N 1 3 218.344 1.900 20 0 BDADHO [NH3+]CCCN1CC[C@@H](Cc2ccccc2)C1 ZINC000414669044 398011913 /nfs/dbraw/zinc/01/19/13/398011913.db2.gz BBWYYXFNQAOQME-AWEZNQCLSA-N 1 3 218.344 1.900 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000414829652 398050333 /nfs/dbraw/zinc/05/03/33/398050333.db2.gz MYGJRIHPKATSQT-RKDXNWHRSA-N 1 3 224.270 1.917 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)CC[C@@H]1C ZINC000414690018 398019880 /nfs/dbraw/zinc/01/98/80/398019880.db2.gz HFLVHVMSLWPQMG-STQMWFEESA-N 1 3 227.396 1.386 20 0 BDADHO [NH3+]CCCN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000414705537 398021840 /nfs/dbraw/zinc/02/18/40/398021840.db2.gz KMGFRADJNYXWSU-LLVKDONJSA-N 1 3 249.362 1.210 20 0 BDADHO [NH3+]CCCN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000414705537 398021844 /nfs/dbraw/zinc/02/18/44/398021844.db2.gz KMGFRADJNYXWSU-LLVKDONJSA-N 1 3 249.362 1.210 20 0 BDADHO C[C@H]1C[C@@H](CN2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763669 398028206 /nfs/dbraw/zinc/02/82/06/398028206.db2.gz NFLYSROMDVKDLP-FQUUOJAGSA-N 1 3 238.375 1.628 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414948258 398122289 /nfs/dbraw/zinc/12/22/89/398122289.db2.gz LYHVJAXHLXMOIQ-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+]C1(C)CCNCC1 ZINC000414948462 398122834 /nfs/dbraw/zinc/12/28/34/398122834.db2.gz YKNCBUXONWGZQR-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO COC(=O)C(C)(C)CCNC1(C)CC[NH2+]CC1 ZINC000414948462 398122836 /nfs/dbraw/zinc/12/28/36/398122836.db2.gz YKNCBUXONWGZQR-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO CCC[C@@H](C)CNC[C@@]1(COC)CCC[NH2+]1 ZINC000414948281 398122938 /nfs/dbraw/zinc/12/29/38/398122938.db2.gz WYQCWYMMPBUXLR-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CO[C@@H](C[NH2+][C@H]1CCNCC1(C)C)C1CCC1 ZINC000662275549 487529359 /nfs/dbraw/zinc/52/93/59/487529359.db2.gz BVXAROKVTMWQGG-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](CN[C@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275549 487529362 /nfs/dbraw/zinc/52/93/62/487529362.db2.gz BVXAROKVTMWQGG-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)OCCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000336679603 167214778 /nfs/dbraw/zinc/21/47/78/167214778.db2.gz ALMQLIAUOJWWLK-NEPJUHHUSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000370696377 167232350 /nfs/dbraw/zinc/23/23/50/167232350.db2.gz GDDSQZYAOCKWGY-ZDUSSCGKSA-N 1 3 228.380 1.828 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000370696377 167232355 /nfs/dbraw/zinc/23/23/55/167232355.db2.gz GDDSQZYAOCKWGY-ZDUSSCGKSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000532291111 487601735 /nfs/dbraw/zinc/60/17/35/487601735.db2.gz HYHXUJUGUIIRMQ-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000532291111 487601740 /nfs/dbraw/zinc/60/17/40/487601740.db2.gz HYHXUJUGUIIRMQ-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532291111 487601742 /nfs/dbraw/zinc/60/17/42/487601742.db2.gz HYHXUJUGUIIRMQ-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404313865 409665285 /nfs/dbraw/zinc/66/52/85/409665285.db2.gz MYRDUWOPQHKILM-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COCCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404313865 409665293 /nfs/dbraw/zinc/66/52/93/409665293.db2.gz MYRDUWOPQHKILM-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H](CO)C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000650714926 410347981 /nfs/dbraw/zinc/34/79/81/410347981.db2.gz HPZMFVYAMXXKCE-JSGCOSHPSA-N 1 3 240.391 1.326 20 0 BDADHO CC[C@H](COC)NCc1ccc(C[NH3+])cc1F ZINC000650717405 410353030 /nfs/dbraw/zinc/35/30/30/410353030.db2.gz ZNBJGVMDSNUANP-GFCCVEGCSA-N 1 3 240.322 1.799 20 0 BDADHO Nc1ccc(CN2CCC(CC[NH3+])CC2)cn1 ZINC000650721692 410361616 /nfs/dbraw/zinc/36/16/16/410361616.db2.gz YGFYNZBUMKVNCM-UHFFFAOYSA-N 1 3 234.347 1.055 20 0 BDADHO COC[C@H](CC[NH2+][C@@H]1CCNCC[C@@H]1C)OC ZINC000665234782 410726674 /nfs/dbraw/zinc/72/66/74/410726674.db2.gz KBBMURKPGUYZQS-RWMBFGLXSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccoc1 ZINC000665261890 410734281 /nfs/dbraw/zinc/73/42/81/410734281.db2.gz NYSCHLJEXUHEBN-WCQYABFASA-N 1 3 222.332 1.800 20 0 BDADHO C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265035 410737186 /nfs/dbraw/zinc/73/71/86/410737186.db2.gz OCRIBDGTMVFGCU-FOGDFJRCSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)C1CNC1 ZINC000665265035 410737192 /nfs/dbraw/zinc/73/71/92/410737192.db2.gz OCRIBDGTMVFGCU-FOGDFJRCSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOCCF ZINC000665298821 410831181 /nfs/dbraw/zinc/83/11/81/410831181.db2.gz AIEOBAZHMGKZLD-QWHCGFSZSA-N 1 3 246.370 1.873 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOCCF ZINC000665298822 410831495 /nfs/dbraw/zinc/83/14/95/410831495.db2.gz AIEOBAZHMGKZLD-STQMWFEESA-N 1 3 246.370 1.873 20 0 BDADHO CC(C)OCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250581194 167231106 /nfs/dbraw/zinc/23/11/06/167231106.db2.gz IVRGDSBDPPXOST-NWDGAFQWSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367635168 167244587 /nfs/dbraw/zinc/24/45/87/167244587.db2.gz KOZPTKCVPXWQMP-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367635168 167244588 /nfs/dbraw/zinc/24/45/88/167244588.db2.gz KOZPTKCVPXWQMP-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367635168 167244591 /nfs/dbraw/zinc/24/45/91/167244591.db2.gz KOZPTKCVPXWQMP-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@H](CO)CCF)[C@H](C)C1 ZINC000652019087 410999130 /nfs/dbraw/zinc/99/91/30/410999130.db2.gz JIYCNMMVPJLCQP-WOPDTQHZSA-N 1 3 232.343 1.027 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@H](CO)CCF)[C@H](C)C1 ZINC000652019087 410999133 /nfs/dbraw/zinc/99/91/33/410999133.db2.gz JIYCNMMVPJLCQP-WOPDTQHZSA-N 1 3 232.343 1.027 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000651864884 411147658 /nfs/dbraw/zinc/14/76/58/411147658.db2.gz HXGVCHPODZXCEK-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@H]1CN(C)C[C@@H]1C ZINC000651865663 411147766 /nfs/dbraw/zinc/14/77/66/411147766.db2.gz CPUZCZURDWCWFF-KBPBESRZSA-N 1 3 241.423 1.504 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@H]1CN(C)C[C@@H]1C ZINC000651865663 411147767 /nfs/dbraw/zinc/14/77/67/411147767.db2.gz CPUZCZURDWCWFF-KBPBESRZSA-N 1 3 241.423 1.504 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@H]1N ZINC000400676889 411158518 /nfs/dbraw/zinc/15/85/18/411158518.db2.gz UZWHSHJJBILITO-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1N ZINC000400676889 411158520 /nfs/dbraw/zinc/15/85/20/411158520.db2.gz UZWHSHJJBILITO-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000400676889 411158523 /nfs/dbraw/zinc/15/85/23/411158523.db2.gz UZWHSHJJBILITO-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1C1CC1 ZINC000659879980 411177962 /nfs/dbraw/zinc/17/79/62/411177962.db2.gz YYGSTXKBUTXNJP-ZIAGYGMSSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1C1CC1 ZINC000659879980 411177963 /nfs/dbraw/zinc/17/79/63/411177963.db2.gz YYGSTXKBUTXNJP-ZIAGYGMSSA-N 1 3 240.391 1.562 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000656193227 411199550 /nfs/dbraw/zinc/19/95/50/411199550.db2.gz ALBXDCPCBDYGIJ-DYEKYZERSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@@H](Cc1ccccn1)N[C@H]1CCC[NH2+]CC1 ZINC000656193912 411200092 /nfs/dbraw/zinc/20/00/92/411200092.db2.gz YGGPNMFYWXXPOK-STQMWFEESA-N 1 3 233.359 1.744 20 0 BDADHO COCC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000656200022 411203886 /nfs/dbraw/zinc/20/38/86/411203886.db2.gz IJVHIZPPNUNCQR-WDEREUQCSA-N 1 3 212.337 1.001 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)C1CCCCC1 ZINC000310345244 411235126 /nfs/dbraw/zinc/23/51/26/411235126.db2.gz FUMDCIDWELPIHU-CQSZACIVSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C1CCCCC1 ZINC000310345244 411235130 /nfs/dbraw/zinc/23/51/30/411235130.db2.gz FUMDCIDWELPIHU-CQSZACIVSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)CC1CCCC1 ZINC000310508475 411239264 /nfs/dbraw/zinc/23/92/64/411239264.db2.gz JRIJQCHYQWAVJS-CQSZACIVSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)CC1CCCC1 ZINC000310508475 411239265 /nfs/dbraw/zinc/23/92/65/411239265.db2.gz JRIJQCHYQWAVJS-CQSZACIVSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@H]1C[NH2+]C[C@@H](NCC2CCOCC2)C1 ZINC000401710284 411299376 /nfs/dbraw/zinc/29/93/76/411299376.db2.gz DHYQHBQXHPGFOZ-PWSUYJOCSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402819578 411317708 /nfs/dbraw/zinc/31/77/08/411317708.db2.gz AMERIRAXSCCHQN-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO COC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402819578 411317712 /nfs/dbraw/zinc/31/77/12/411317712.db2.gz AMERIRAXSCCHQN-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1cc(C)cc(OCCN2CC[C@H](C[NH3+])C2)c1 ZINC000050247460 411255572 /nfs/dbraw/zinc/25/55/72/411255572.db2.gz UHIUEDQBGGEEHU-CQSZACIVSA-N 1 3 248.370 1.963 20 0 BDADHO CO[C@@]1(C)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000658330011 411337066 /nfs/dbraw/zinc/33/70/66/411337066.db2.gz GZYPQIBWMZTDNS-OLZOCXBDSA-N 1 3 224.348 1.380 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[NH2+]CCc1ccoc1 ZINC000656714147 411338761 /nfs/dbraw/zinc/33/87/61/411338761.db2.gz LSLYYWPTBUSWIQ-ZDUSSCGKSA-N 1 3 240.347 1.113 20 0 BDADHO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000658333043 411340714 /nfs/dbraw/zinc/34/07/14/411340714.db2.gz SGHKZJDAWDEKNS-MRTXSQPYSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658333043 411340717 /nfs/dbraw/zinc/34/07/17/411340717.db2.gz SGHKZJDAWDEKNS-MRTXSQPYSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658333043 411340720 /nfs/dbraw/zinc/34/07/20/411340720.db2.gz SGHKZJDAWDEKNS-MRTXSQPYSA-N 1 3 238.375 1.626 20 0 BDADHO c1cc([C@H]2CNCCO2)ccc1N[C@@H]1CC[NH2+]C1 ZINC000656793258 411372468 /nfs/dbraw/zinc/37/24/68/411372468.db2.gz SBMXXVUNSXSABO-ZIAGYGMSSA-N 1 3 247.342 1.121 20 0 BDADHO C[C@H]1OCC[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000119912959 168179675 /nfs/dbraw/zinc/17/96/75/168179675.db2.gz XWHDGIPELOSKPD-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)CNC(C)C ZINC000659302299 411391269 /nfs/dbraw/zinc/39/12/69/411391269.db2.gz DOTPPRYWGWVMGN-UHFFFAOYSA-N 1 3 249.358 1.733 20 0 BDADHO CC(C)[C@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000644996388 411386576 /nfs/dbraw/zinc/38/65/76/411386576.db2.gz HHPCVJNZANDDON-CQSZACIVSA-N 1 3 249.358 1.221 20 0 BDADHO COCCCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404427704 411396339 /nfs/dbraw/zinc/39/63/39/411396339.db2.gz MRNCJLMHBREFJU-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO COCCCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404427704 411396342 /nfs/dbraw/zinc/39/63/42/411396342.db2.gz MRNCJLMHBREFJU-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO NCc1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000653043242 411401864 /nfs/dbraw/zinc/40/18/64/411401864.db2.gz JHULKHWVLDVAMF-WCQYABFASA-N 1 3 247.342 1.601 20 0 BDADHO CCO[C@@H]1CN(CCc2ccccc2)C[C@H]1C[NH3+] ZINC000405442265 411429579 /nfs/dbraw/zinc/42/95/79/411429579.db2.gz LNDKGCONHSCTCV-HUUCEWRRSA-N 1 3 248.370 1.525 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000657427393 411503596 /nfs/dbraw/zinc/50/35/96/411503596.db2.gz MXPKQVXYEYEVGF-QWHCGFSZSA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H]1C[C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803878 411518432 /nfs/dbraw/zinc/51/84/32/411518432.db2.gz GWFRJLSBNHOUFF-RVMXOQNASA-N 1 3 248.374 1.819 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H]2CCn3ccnc32)C1 ZINC000655804567 411519256 /nfs/dbraw/zinc/51/92/56/411519256.db2.gz ZRQLSMVYGDVDBA-TUAOUCFPSA-N 1 3 234.347 1.258 20 0 BDADHO CC[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483148 411528714 /nfs/dbraw/zinc/52/87/14/411528714.db2.gz KUFJLTWDULRXNI-URSGVKGYSA-N 1 3 238.375 1.769 20 0 BDADHO CC[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483148 411528717 /nfs/dbraw/zinc/52/87/17/411528717.db2.gz KUFJLTWDULRXNI-URSGVKGYSA-N 1 3 238.375 1.769 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cscn2)C1 ZINC000655826571 411529757 /nfs/dbraw/zinc/52/97/57/411529757.db2.gz JGUPDAVQCNBPPJ-JGZJWPJOSA-N 1 3 225.361 1.573 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCCO)C[C@H]1C ZINC000336650806 170009254 /nfs/dbraw/zinc/00/92/54/170009254.db2.gz TVUZJAMTSLRBLA-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCCO)C[C@H]1C ZINC000336650806 170009255 /nfs/dbraw/zinc/00/92/55/170009255.db2.gz TVUZJAMTSLRBLA-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[NH2+]CC1CCN(Cc2cnn(C)c2)CC1 ZINC000053659218 170111886 /nfs/dbraw/zinc/11/18/86/170111886.db2.gz YMXZBQJKGXVIFF-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC[C@H](C)C1 ZINC000660310611 411567234 /nfs/dbraw/zinc/56/72/34/411567234.db2.gz OUGNRKKVIPUIBY-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCC[C@H](C)C1 ZINC000660310611 411567236 /nfs/dbraw/zinc/56/72/36/411567236.db2.gz OUGNRKKVIPUIBY-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CCOCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127725121 170383309 /nfs/dbraw/zinc/38/33/09/170383309.db2.gz VASQPDOOOQYKPS-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO CCOCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127725121 170383310 /nfs/dbraw/zinc/38/33/10/170383310.db2.gz VASQPDOOOQYKPS-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO COC[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345872 411633450 /nfs/dbraw/zinc/63/34/50/411633450.db2.gz NDQPFBGKYNVRGH-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345872 411633455 /nfs/dbraw/zinc/63/34/55/411633455.db2.gz NDQPFBGKYNVRGH-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663345872 411633458 /nfs/dbraw/zinc/63/34/58/411633458.db2.gz NDQPFBGKYNVRGH-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345875 411633784 /nfs/dbraw/zinc/63/37/84/411633784.db2.gz NDQPFBGKYNVRGH-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345875 411633788 /nfs/dbraw/zinc/63/37/88/411633788.db2.gz NDQPFBGKYNVRGH-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663345875 411633797 /nfs/dbraw/zinc/63/37/97/411633797.db2.gz NDQPFBGKYNVRGH-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415159 411581252 /nfs/dbraw/zinc/58/12/52/411581252.db2.gz ALDRBSOLWOIQSS-OLZOCXBDSA-N 1 3 240.391 1.970 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660415159 411581254 /nfs/dbraw/zinc/58/12/54/411581254.db2.gz ALDRBSOLWOIQSS-OLZOCXBDSA-N 1 3 240.391 1.970 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616122 411608087 /nfs/dbraw/zinc/60/80/87/411608087.db2.gz GYRYAQIMWJEQFC-GXTWGEPZSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616122 411608088 /nfs/dbraw/zinc/60/80/88/411608088.db2.gz GYRYAQIMWJEQFC-GXTWGEPZSA-N 1 3 238.375 1.582 20 0 BDADHO COC[C@@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659190 411614367 /nfs/dbraw/zinc/61/43/67/411614367.db2.gz NLYSBKXYQBSYSD-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659190 411614368 /nfs/dbraw/zinc/61/43/68/411614368.db2.gz NLYSBKXYQBSYSD-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660024 411614930 /nfs/dbraw/zinc/61/49/30/411614930.db2.gz SLEBMCJAUFAYRZ-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660024 411614931 /nfs/dbraw/zinc/61/49/31/411614931.db2.gz SLEBMCJAUFAYRZ-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO CO[C@@H](C)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665122 411616037 /nfs/dbraw/zinc/61/60/37/411616037.db2.gz UMBIYJKXVPAACV-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@@H](C)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665122 411616038 /nfs/dbraw/zinc/61/60/38/411616038.db2.gz UMBIYJKXVPAACV-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C[C@H](C)O1 ZINC000661855230 411904228 /nfs/dbraw/zinc/90/42/28/411904228.db2.gz AHXWTZMHGNDIHC-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C[C@H](C)O1 ZINC000661855230 411904231 /nfs/dbraw/zinc/90/42/31/411904231.db2.gz AHXWTZMHGNDIHC-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO CN(CC1CN(C)C1)c1[nH+]ccc2[nH]ccc21 ZINC000664328967 411922381 /nfs/dbraw/zinc/92/23/81/411922381.db2.gz HQIUQINYGLPBRE-UHFFFAOYSA-N 1 3 230.315 1.561 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC2(COC2)C1 ZINC000662076024 411976376 /nfs/dbraw/zinc/97/63/76/411976376.db2.gz QLLMWQJVPQOQJO-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CCC2(COC2)C1 ZINC000662076024 411976378 /nfs/dbraw/zinc/97/63/78/411976378.db2.gz QLLMWQJVPQOQJO-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139322 412001159 /nfs/dbraw/zinc/00/11/59/412001159.db2.gz ATYGBXMJHXKGHU-ZIAGYGMSSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139322 412001161 /nfs/dbraw/zinc/00/11/61/412001161.db2.gz ATYGBXMJHXKGHU-ZIAGYGMSSA-N 1 3 242.407 1.669 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H](N)C1)C1CCCCC1 ZINC000662240794 412036763 /nfs/dbraw/zinc/03/67/63/412036763.db2.gz MXBFLHPEZFCVKV-CHWSQXEVSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H](N)C1)C1CCCCC1 ZINC000662240794 412036766 /nfs/dbraw/zinc/03/67/66/412036766.db2.gz MXBFLHPEZFCVKV-CHWSQXEVSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCO[C@@H]1CC1(F)F ZINC000662249942 412046561 /nfs/dbraw/zinc/04/65/61/412046561.db2.gz VWUABVZFMKHDGO-NXEZZACHSA-N 1 3 236.306 1.374 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[NH+]1CCCCCC1 ZINC000662248922 412047352 /nfs/dbraw/zinc/04/73/52/412047352.db2.gz FNKQGGRZEZBSTA-LBPRGKRZSA-N 1 3 224.348 1.383 20 0 BDADHO CC1(C)CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662256128 412052027 /nfs/dbraw/zinc/05/20/27/412052027.db2.gz GRVPXTIUHQCFLW-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264958 412056154 /nfs/dbraw/zinc/05/61/54/412056154.db2.gz FOCWNSDPSBUGNR-YYHQMBLXSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264958 412056156 /nfs/dbraw/zinc/05/61/56/412056156.db2.gz FOCWNSDPSBUGNR-YYHQMBLXSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662276257 412068589 /nfs/dbraw/zinc/06/85/89/412068589.db2.gz IAIVDJAZCQJVGX-QWQWKMKNSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@@H]1CC[N@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281920 412072615 /nfs/dbraw/zinc/07/26/15/412072615.db2.gz MMUSJOKOUFVORT-YPMHNXCESA-N 1 3 208.349 1.869 20 0 BDADHO C[C@@H]1CC[N@@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281920 412072616 /nfs/dbraw/zinc/07/26/16/412072616.db2.gz MMUSJOKOUFVORT-YPMHNXCESA-N 1 3 208.349 1.869 20 0 BDADHO CC[C@@H](C)[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662290194 412080529 /nfs/dbraw/zinc/08/05/29/412080529.db2.gz MSBCVIWVCLKBIG-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H](C)[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662290194 412080532 /nfs/dbraw/zinc/08/05/32/412080532.db2.gz MSBCVIWVCLKBIG-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244176 412187458 /nfs/dbraw/zinc/18/74/58/412187458.db2.gz HSIOGQZLMCALAL-HBNTYKKESA-N 1 3 248.317 1.518 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCO[C@@H]1CC1(F)F ZINC000665244176 412187460 /nfs/dbraw/zinc/18/74/60/412187460.db2.gz HSIOGQZLMCALAL-HBNTYKKESA-N 1 3 248.317 1.518 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665262949 412205103 /nfs/dbraw/zinc/20/51/03/412205103.db2.gz CKSSJDGEDRLIQG-OLZOCXBDSA-N 1 3 222.332 1.929 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1ccoc1 ZINC000665262949 412205108 /nfs/dbraw/zinc/20/51/08/412205108.db2.gz CKSSJDGEDRLIQG-OLZOCXBDSA-N 1 3 222.332 1.929 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665262167 412205996 /nfs/dbraw/zinc/20/59/96/412205996.db2.gz VTIFRUBFSBJSOY-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO COCc1csc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000665263686 412207565 /nfs/dbraw/zinc/20/75/65/412207565.db2.gz RXIZEJJDDRZRQI-RYUDHWBXSA-N 1 3 240.372 1.864 20 0 BDADHO C[C@@H]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265062 412208762 /nfs/dbraw/zinc/20/87/62/412208762.db2.gz OMRKNQAYRKSCJI-SYCZCVCYSA-N 1 3 238.375 1.817 20 0 BDADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[C@H]1C[NH3+] ZINC000665272939 412213318 /nfs/dbraw/zinc/21/33/18/412213318.db2.gz NUJMXLDEZHPHBN-CQDKDKBSSA-N 1 3 245.370 1.973 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665272939 412213321 /nfs/dbraw/zinc/21/33/21/412213321.db2.gz NUJMXLDEZHPHBN-CQDKDKBSSA-N 1 3 245.370 1.973 20 0 BDADHO C[C@H](CN1CCC(C)CC1)N[C@H](C)C1C[NH2+]C1 ZINC000665272443 412213345 /nfs/dbraw/zinc/21/33/45/412213345.db2.gz FOKNHGMUDPUNGJ-CHWSQXEVSA-N 1 3 239.407 1.304 20 0 BDADHO OC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000665235155 412174103 /nfs/dbraw/zinc/17/41/03/412174103.db2.gz QNLYFXMNCSELCU-HNGCFSAESA-N 1 3 224.348 1.020 20 0 BDADHO CCCN1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665274381 412217330 /nfs/dbraw/zinc/21/73/30/412217330.db2.gz PAEQJILZUDEYCT-FRRDWIJNSA-N 1 3 225.380 1.058 20 0 BDADHO COC[C@H]([NH2+]CC12CC(C1)CN2)C1CCCC1 ZINC000665278609 412220211 /nfs/dbraw/zinc/22/02/11/412220211.db2.gz JYLVSHOCPPDQNC-QRMWWUJWSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCCOC1 ZINC000665279047 412223020 /nfs/dbraw/zinc/22/30/20/412223020.db2.gz VSOLYPMAGROIAD-GMKTYKIGSA-N 1 3 224.348 1.143 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](C)O[C@@H]1C ZINC000665282407 412227967 /nfs/dbraw/zinc/22/79/67/412227967.db2.gz XPEONEGTZDPBAC-KKOKHZNYSA-N 1 3 214.353 1.515 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283850 412228615 /nfs/dbraw/zinc/22/86/15/412228615.db2.gz WEFPFRBSQAHSGC-AAEUAGOBSA-N 1 3 222.332 1.929 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1ccco1 ZINC000665283853 412229331 /nfs/dbraw/zinc/22/93/31/412229331.db2.gz WEFPFRBSQAHSGC-YPMHNXCESA-N 1 3 222.332 1.929 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCCC12CCOCC2 ZINC000665297487 412244507 /nfs/dbraw/zinc/24/45/07/412244507.db2.gz HAHDOXWUXXAMDH-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@@H]2CCOC2)[C@H](C)C1 ZINC000133048360 412393080 /nfs/dbraw/zinc/39/30/80/412393080.db2.gz ZXVVOTLLGNNSHJ-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@@H]2CCOC2)[C@H](C)C1 ZINC000133048360 412393081 /nfs/dbraw/zinc/39/30/81/412393081.db2.gz ZXVVOTLLGNNSHJ-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](CO)CC1 ZINC000339750624 173028510 /nfs/dbraw/zinc/02/85/10/173028510.db2.gz OIRKECHBJWMBGP-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](CO)CC1 ZINC000339750624 173028511 /nfs/dbraw/zinc/02/85/11/173028511.db2.gz OIRKECHBJWMBGP-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1CO ZINC000119137993 173029549 /nfs/dbraw/zinc/02/95/49/173029549.db2.gz JIMIIOMNKFYVJP-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1CO ZINC000119137993 173029551 /nfs/dbraw/zinc/02/95/51/173029551.db2.gz JIMIIOMNKFYVJP-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN(CCO)CC1CC1 ZINC000336702087 173051203 /nfs/dbraw/zinc/05/12/03/173051203.db2.gz MZJKKHFUTTVGAQ-ZDUSSCGKSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN(CCO)CC1CC1 ZINC000336702087 173051205 /nfs/dbraw/zinc/05/12/05/173051205.db2.gz MZJKKHFUTTVGAQ-ZDUSSCGKSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536332 173054737 /nfs/dbraw/zinc/05/47/37/173054737.db2.gz ZPEGWJDLKMHYIS-QWHCGFSZSA-N 1 3 249.362 1.009 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536332 173054738 /nfs/dbraw/zinc/05/47/38/173054738.db2.gz ZPEGWJDLKMHYIS-QWHCGFSZSA-N 1 3 249.362 1.009 20 0 BDADHO CNC(=O)C(C)(C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331978390 173220551 /nfs/dbraw/zinc/22/05/51/173220551.db2.gz MDSYIZVRTQUHON-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054629100 173323841 /nfs/dbraw/zinc/32/38/41/173323841.db2.gz OTAFQXNMFTYENI-FUDCBSFHSA-N 1 3 238.375 1.628 20 0 BDADHO CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054629100 173323842 /nfs/dbraw/zinc/32/38/42/173323842.db2.gz OTAFQXNMFTYENI-FUDCBSFHSA-N 1 3 238.375 1.628 20 0 BDADHO C[NH2+]CCC1CCN(Cc2ccccn2)CC1 ZINC000070188746 173342704 /nfs/dbraw/zinc/34/27/04/173342704.db2.gz ZVXLABZQMLUKEN-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO C[NH2+]CCCNC[C@H](C)c1ccccc1 ZINC000010435507 173349259 /nfs/dbraw/zinc/34/92/59/173349259.db2.gz NHDRMFQVTZVFDA-LBPRGKRZSA-N 1 3 206.333 1.989 20 0 BDADHO CNCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000010435507 173349261 /nfs/dbraw/zinc/34/92/61/173349261.db2.gz NHDRMFQVTZVFDA-LBPRGKRZSA-N 1 3 206.333 1.989 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000250702078 173379202 /nfs/dbraw/zinc/37/92/02/173379202.db2.gz DBHZOSFHPBCUEE-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)C(C)C)cc1 ZINC000295206318 173388931 /nfs/dbraw/zinc/38/89/31/173388931.db2.gz KUUHOQZCJQVSLL-LBPRGKRZSA-N 1 3 235.331 1.328 20 0 BDADHO COCC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000069633133 174120581 /nfs/dbraw/zinc/12/05/81/174120581.db2.gz CLUBVNJMWOQUHF-CYBMUJFWSA-N 1 3 228.380 1.718 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000234690984 174143413 /nfs/dbraw/zinc/14/34/13/174143413.db2.gz OSGBJNPNEVCXNE-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000234892895 174156786 /nfs/dbraw/zinc/15/67/86/174156786.db2.gz FKKMHQICUYODFP-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO COCCC[N@H+](C)CC[C@H]1CCCN1C ZINC000120411397 174216385 /nfs/dbraw/zinc/21/63/85/174216385.db2.gz LKKOHVOQPRFJOJ-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO COCCC[N@@H+](C)CC[C@H]1CCCN1C ZINC000120411397 174216387 /nfs/dbraw/zinc/21/63/87/174216387.db2.gz LKKOHVOQPRFJOJ-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C(C)C ZINC000362976518 174868744 /nfs/dbraw/zinc/86/87/44/174868744.db2.gz KTBUXGCTHGMEDO-QJPTWQEYSA-N 1 3 214.353 1.374 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000128847769 175091427 /nfs/dbraw/zinc/09/14/27/175091427.db2.gz UTVBQSBRQWKRAQ-CQSZACIVSA-N 1 3 248.370 1.969 20 0 BDADHO COc1ccc(CC[NH2+][C@@H]2CCCNCC2)cc1 ZINC000128847769 175091428 /nfs/dbraw/zinc/09/14/28/175091428.db2.gz UTVBQSBRQWKRAQ-CQSZACIVSA-N 1 3 248.370 1.969 20 0 BDADHO COc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000038040527 175091521 /nfs/dbraw/zinc/09/15/21/175091521.db2.gz KZVPOXMWEVDSCS-UHFFFAOYSA-N 1 3 234.343 1.579 20 0 BDADHO COc1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000038040527 175091522 /nfs/dbraw/zinc/09/15/22/175091522.db2.gz KZVPOXMWEVDSCS-UHFFFAOYSA-N 1 3 234.343 1.579 20 0 BDADHO COc1ccc(CC[NH2+]C[C@H]2CCCNC2)cc1 ZINC000107787460 175091770 /nfs/dbraw/zinc/09/17/70/175091770.db2.gz RYXUSNOHUPXYDD-AWEZNQCLSA-N 1 3 248.370 1.827 20 0 BDADHO COc1ccc(CCNC[C@H]2CCC[NH2+]C2)cc1 ZINC000107787460 175091771 /nfs/dbraw/zinc/09/17/71/175091771.db2.gz RYXUSNOHUPXYDD-AWEZNQCLSA-N 1 3 248.370 1.827 20 0 BDADHO COc1ccc(C[NH2+][C@H](C)CN)cc1OC ZINC000144906921 175110838 /nfs/dbraw/zinc/11/08/38/175110838.db2.gz SLGVNWXSUFGDSR-SECBINFHSA-N 1 3 224.304 1.141 20 0 BDADHO C[C@@H](C[NH3+])C(=O)N(CCN(C)C)c1ccccc1 ZINC000262357876 175704486 /nfs/dbraw/zinc/70/44/86/175704486.db2.gz JZMUCHUQCKQXCD-LBPRGKRZSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCc1ccccn1 ZINC000093462307 175766919 /nfs/dbraw/zinc/76/69/19/175766919.db2.gz QKVNAHRSROSOSH-GXTWGEPZSA-N 1 3 233.359 1.744 20 0 BDADHO C[C@@H](c1ccccc1)N(C)CCN1CC[NH2+]CC1 ZINC000070069805 176021177 /nfs/dbraw/zinc/02/11/77/176021177.db2.gz YPCKPHUGOPICNA-AWEZNQCLSA-N 1 3 247.386 1.585 20 0 BDADHO C[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)[C@@H]1CO ZINC000305705904 176097859 /nfs/dbraw/zinc/09/78/59/176097859.db2.gz YEKXBHLNCLOALY-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)[C@@H]1CO ZINC000305705904 176097860 /nfs/dbraw/zinc/09/78/60/176097860.db2.gz YEKXBHLNCLOALY-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCOCC[N@@H+]1CCCN1CCCC1 ZINC000374986854 176187985 /nfs/dbraw/zinc/18/79/85/176187985.db2.gz BVFNUOXJOVCHLF-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO C[C@@H]1CCOCC[N@H+]1CCCN1CCCC1 ZINC000374986854 176187987 /nfs/dbraw/zinc/18/79/87/176187987.db2.gz BVFNUOXJOVCHLF-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000161644169 176292596 /nfs/dbraw/zinc/29/25/96/176292596.db2.gz FFAHLMFXPGDBOF-NEPJUHHUSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCS1 ZINC000161644169 176292597 /nfs/dbraw/zinc/29/25/97/176292597.db2.gz FFAHLMFXPGDBOF-NEPJUHHUSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000305855738 176341317 /nfs/dbraw/zinc/34/13/17/176341317.db2.gz BMZSLFVOERXFKK-MQYQWHSLSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000336773825 176353308 /nfs/dbraw/zinc/35/33/08/176353308.db2.gz ZFRSRHNHIQRAAK-WOPDTQHZSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000305823743 177008990 /nfs/dbraw/zinc/00/89/90/177008990.db2.gz RRZVZBUWHLZVDN-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000305823743 177008991 /nfs/dbraw/zinc/00/89/91/177008991.db2.gz RRZVZBUWHLZVDN-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1CN(CC[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251672308 177253904 /nfs/dbraw/zinc/25/39/04/177253904.db2.gz LRWULZNGZSAONH-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223223508 177301653 /nfs/dbraw/zinc/30/16/53/177301653.db2.gz ONCCOLGQBLIQFL-WDEREUQCSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(N)=[NH2+])C1 ZINC000303252844 177312060 /nfs/dbraw/zinc/31/20/60/177312060.db2.gz CCHHICYQEBFFCK-AOOOYVTPSA-N 1 3 226.368 1.226 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCSCC1 ZINC000307082268 177395234 /nfs/dbraw/zinc/39/52/34/177395234.db2.gz HKAGCSRXNXVDMN-KOLCDFICSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400736117 226350787 /nfs/dbraw/zinc/35/07/87/226350787.db2.gz RSVWBQZQMZQGIB-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO C([C@H]1CCOC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225877951 487650297 /nfs/dbraw/zinc/65/02/97/487650297.db2.gz NZGKLXVHEHVFJR-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO CSCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902326136 584560283 /nfs/dbraw/zinc/56/02/83/584560283.db2.gz BCAUPAJNUYDSNL-SNVBAGLBSA-N 1 3 216.394 1.717 20 0 BDADHO C[C@@H](O)CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000141877809 487765123 /nfs/dbraw/zinc/76/51/23/487765123.db2.gz OZNXKLKFHKOIKP-SECBINFHSA-N 1 3 214.353 1.266 20 0 BDADHO C[C@@H](O)C[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000141877809 487765128 /nfs/dbraw/zinc/76/51/28/487765128.db2.gz OZNXKLKFHKOIKP-SECBINFHSA-N 1 3 214.353 1.266 20 0 BDADHO CCN(CC)CC(=O)NCCC[NH+](CC)CC ZINC000357411815 487766301 /nfs/dbraw/zinc/76/63/01/487766301.db2.gz JABIZCGJGMELKW-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000662968021 487775995 /nfs/dbraw/zinc/77/59/95/487775995.db2.gz QBOVGDDXUPOJKI-PWSUYJOCSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@@H]1CCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242868 487806027 /nfs/dbraw/zinc/80/60/27/487806027.db2.gz LDYHAHBALMJDTE-CHWSQXEVSA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242868 487806029 /nfs/dbraw/zinc/80/60/29/487806029.db2.gz LDYHAHBALMJDTE-CHWSQXEVSA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242870 487805895 /nfs/dbraw/zinc/80/58/95/487805895.db2.gz LDYHAHBALMJDTE-OLZOCXBDSA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242870 487805899 /nfs/dbraw/zinc/80/58/99/487805899.db2.gz LDYHAHBALMJDTE-OLZOCXBDSA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@@H]1CN([C@@H](C)COC)CC[C@@H]1[NH3+] ZINC000211212551 487806469 /nfs/dbraw/zinc/80/64/69/487806469.db2.gz KHFKDFUCOOHEBR-AXFHLTTASA-N 1 3 200.326 1.081 20 0 BDADHO CCC[C@H](C)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000309256100 487808632 /nfs/dbraw/zinc/80/86/32/487808632.db2.gz OGMNRBBAFKUGAK-QWHCGFSZSA-N 1 3 230.396 1.808 20 0 BDADHO CCC[C@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309256100 487808636 /nfs/dbraw/zinc/80/86/36/487808636.db2.gz OGMNRBBAFKUGAK-QWHCGFSZSA-N 1 3 230.396 1.808 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000307587422 487819260 /nfs/dbraw/zinc/81/92/60/487819260.db2.gz TXQUJQUDJHWLLK-ZDCRXTMVSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000307587422 487819265 /nfs/dbraw/zinc/81/92/65/487819265.db2.gz TXQUJQUDJHWLLK-ZDCRXTMVSA-N 1 3 214.378 1.740 20 0 BDADHO CC(C)(C)[C@@H]1CCN(CCC[NH3+])C[C@H]1O ZINC000414755679 487821094 /nfs/dbraw/zinc/82/10/94/487821094.db2.gz ICYJUMAPIBTHMK-GHMZBOCLSA-N 1 3 214.353 1.064 20 0 BDADHO NCCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000414754087 487821261 /nfs/dbraw/zinc/82/12/61/487821261.db2.gz FQULRPDDKMETCV-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO NCCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000414754087 487821265 /nfs/dbraw/zinc/82/12/65/487821265.db2.gz FQULRPDDKMETCV-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1C[C@@H](c2cccnc2)N(CCC[NH3+])C1 ZINC000414748525 487821583 /nfs/dbraw/zinc/82/15/83/487821583.db2.gz WRDYGDWUMHDZGH-YPMHNXCESA-N 1 3 219.332 1.813 20 0 BDADHO C[C@@H]1[C@H](C)SCCN1C[C@H]1CC[NH2+]C1 ZINC000252682477 487828824 /nfs/dbraw/zinc/82/88/24/487828824.db2.gz CCSVXVCDJIGQOH-VWYCJHECSA-N 1 3 214.378 1.422 20 0 BDADHO [NH3+]CCCN[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000415134399 487838287 /nfs/dbraw/zinc/83/82/87/487838287.db2.gz DSIJWYGLAZSVJN-GFCCVEGCSA-N 1 3 237.322 1.343 20 0 BDADHO CCOCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000309429036 487844754 /nfs/dbraw/zinc/84/47/54/487844754.db2.gz FUFOIDBUOJGZKR-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309429036 487844757 /nfs/dbraw/zinc/84/47/57/487844757.db2.gz FUFOIDBUOJGZKR-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309429036 487844761 /nfs/dbraw/zinc/84/47/61/487844761.db2.gz FUFOIDBUOJGZKR-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000234623876 487844764 /nfs/dbraw/zinc/84/47/64/487844764.db2.gz JFWGBVVRZHNWDU-NWDGAFQWSA-N 1 3 214.353 1.663 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000666638413 487849541 /nfs/dbraw/zinc/84/95/41/487849541.db2.gz LXZPYHRXDVZWRN-STQMWFEESA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000666638413 487849548 /nfs/dbraw/zinc/84/95/48/487849548.db2.gz LXZPYHRXDVZWRN-STQMWFEESA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](CCO)CC(C)(C)C ZINC000666639266 487849799 /nfs/dbraw/zinc/84/97/99/487849799.db2.gz WIOXMNLGSVIXMK-LBPRGKRZSA-N 1 3 230.396 1.700 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](CCO)CC(C)(C)C ZINC000666639266 487849803 /nfs/dbraw/zinc/84/98/03/487849803.db2.gz WIOXMNLGSVIXMK-LBPRGKRZSA-N 1 3 230.396 1.700 20 0 BDADHO CC[C@@H](C)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000379855762 487850248 /nfs/dbraw/zinc/85/02/48/487850248.db2.gz BZDFGLUQKGDQFI-NEPJUHHUSA-N 1 3 216.369 1.418 20 0 BDADHO CC[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379855762 487850252 /nfs/dbraw/zinc/85/02/52/487850252.db2.gz BZDFGLUQKGDQFI-NEPJUHHUSA-N 1 3 216.369 1.418 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000923423191 644420286 /nfs/dbraw/zinc/42/02/86/644420286.db2.gz VTXAQCNHGRFQSK-RNJXMRFFSA-N 1 3 240.269 1.015 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)CC(F)(F)F ZINC000923423191 644420294 /nfs/dbraw/zinc/42/02/94/644420294.db2.gz VTXAQCNHGRFQSK-RNJXMRFFSA-N 1 3 240.269 1.015 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403809734 487891543 /nfs/dbraw/zinc/89/15/43/487891543.db2.gz KJHULAXKYXSEMQ-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO COc1ccccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950928 487912982 /nfs/dbraw/zinc/91/29/82/487912982.db2.gz QVNBEUDCKLFAIL-AWEZNQCLSA-N 1 3 246.354 1.927 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995317 487925409 /nfs/dbraw/zinc/92/54/09/487925409.db2.gz KBFDSPZHHDZQSL-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995317 487925413 /nfs/dbraw/zinc/92/54/13/487925413.db2.gz KBFDSPZHHDZQSL-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CS1 ZINC000306873753 323032466 /nfs/dbraw/zinc/03/24/66/323032466.db2.gz YHVBKUSZKZTBLS-YTWAJWBKSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CS1 ZINC000306873753 323032467 /nfs/dbraw/zinc/03/24/67/323032467.db2.gz YHVBKUSZKZTBLS-YTWAJWBKSA-N 1 3 214.378 1.740 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC12CCOCC2 ZINC000562962311 323036317 /nfs/dbraw/zinc/03/63/17/323036317.db2.gz ROIIROPNQOBOGL-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708978 323038041 /nfs/dbraw/zinc/03/80/41/323038041.db2.gz WZJKCDCLEVFDKS-NWDGAFQWSA-N 1 3 244.354 1.612 20 0 BDADHO CCN1CCC([NH2+]Cc2cnc(C)n2C)CC1 ZINC000569941870 323045448 /nfs/dbraw/zinc/04/54/48/323045448.db2.gz OAMIVWRDPWTHNC-UHFFFAOYSA-N 1 3 236.363 1.302 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000570422909 323059110 /nfs/dbraw/zinc/05/91/10/323059110.db2.gz JJVPIOGTQNBZKW-VXGBXAGGSA-N 1 3 244.342 1.698 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCOC1 ZINC000563135048 323094673 /nfs/dbraw/zinc/09/46/73/323094673.db2.gz DECLVUKOMZXHLD-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO Cc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000391165269 323099468 /nfs/dbraw/zinc/09/94/68/323099468.db2.gz OTNLDHNSMAMALE-UONOGXRCSA-N 1 3 233.359 1.997 20 0 BDADHO CN(C)C1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000397903896 323100802 /nfs/dbraw/zinc/10/08/02/323100802.db2.gz WEKMFCLXONTNLH-STQMWFEESA-N 1 3 237.391 1.297 20 0 BDADHO CN(C)C1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000397903896 323100803 /nfs/dbraw/zinc/10/08/03/323100803.db2.gz WEKMFCLXONTNLH-STQMWFEESA-N 1 3 237.391 1.297 20 0 BDADHO COCC[C@@H]1CCCC[N@H+](CCCN)C1 ZINC000414756834 323151530 /nfs/dbraw/zinc/15/15/30/323151530.db2.gz KJRLFPYVIOYELI-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO COCC[C@@H]1CCCC[N@@H+](CCCN)C1 ZINC000414756834 323151531 /nfs/dbraw/zinc/15/15/31/323151531.db2.gz KJRLFPYVIOYELI-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000395116271 323187555 /nfs/dbraw/zinc/18/75/55/323187555.db2.gz DKTWFPIVUZNIIH-VXGBXAGGSA-N 1 3 241.379 1.021 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000395158490 323189408 /nfs/dbraw/zinc/18/94/08/323189408.db2.gz MRQMNAQRAACVMK-WUHRBBMRSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000395158490 323189409 /nfs/dbraw/zinc/18/94/09/323189409.db2.gz MRQMNAQRAACVMK-WUHRBBMRSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000395158490 323189410 /nfs/dbraw/zinc/18/94/10/323189410.db2.gz MRQMNAQRAACVMK-WUHRBBMRSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H](NCC[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211539 323211663 /nfs/dbraw/zinc/21/16/63/323211663.db2.gz METULNBIFRYAIH-RDBSUJKOSA-N 1 3 240.391 1.923 20 0 BDADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403023 323224906 /nfs/dbraw/zinc/22/49/06/323224906.db2.gz HQHWJNINLQXSGT-ZDUSSCGKSA-N 1 3 240.391 1.562 20 0 BDADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403023 323224909 /nfs/dbraw/zinc/22/49/09/323224909.db2.gz HQHWJNINLQXSGT-ZDUSSCGKSA-N 1 3 240.391 1.562 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)CCc1ccco1 ZINC000309125173 323318179 /nfs/dbraw/zinc/31/81/79/323318179.db2.gz WALLEHHLKNDVTB-GMTAPVOTSA-N 1 3 210.321 1.926 20 0 BDADHO CCC1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000309214834 323329046 /nfs/dbraw/zinc/32/90/46/323329046.db2.gz FHUQSSPYJBOIPW-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO CCC1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000309214834 323329051 /nfs/dbraw/zinc/32/90/51/323329051.db2.gz FHUQSSPYJBOIPW-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCCN[C@H]1C ZINC000396623824 323393787 /nfs/dbraw/zinc/39/37/87/323393787.db2.gz VTPQKXJLKTUOBF-VOAKCMCISA-N 1 3 225.380 1.057 20 0 BDADHO C[C@H](CNC[C@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244956 324555331 /nfs/dbraw/zinc/55/53/31/324555331.db2.gz RIBCLUOAOBDKBV-TZMCWYRMSA-N 1 3 233.359 1.774 20 0 BDADHO c1cc2c(cc1N[C@H]1CCC[NH2+]C1)OCCNC2 ZINC000530246060 324556317 /nfs/dbraw/zinc/55/63/17/324556317.db2.gz AIZWJDXZICBGIT-ZDUSSCGKSA-N 1 3 247.342 1.333 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109897 325199998 /nfs/dbraw/zinc/19/99/98/325199998.db2.gz KUXJKMIIFIGTHT-DDTOSNHZSA-N 1 3 232.327 1.900 20 0 BDADHO CCOCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860587 325317896 /nfs/dbraw/zinc/31/78/96/325317896.db2.gz AUMHFWHZKNDVKZ-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860587 325317899 /nfs/dbraw/zinc/31/78/99/325317899.db2.gz AUMHFWHZKNDVKZ-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086402146 325614557 /nfs/dbraw/zinc/61/45/57/325614557.db2.gz AQJRTGQIYDJXMZ-MNOVXSKESA-N 1 3 200.326 1.273 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C[C@H](C)O1 ZINC000566090656 325992831 /nfs/dbraw/zinc/99/28/31/325992831.db2.gz HHKCRRHXFFXRJQ-PDWCTOEPSA-N 1 3 240.391 1.920 20 0 BDADHO CNCc1ccccc1NC(=O)CC[C@@H](C)[NH3+] ZINC000566240011 326021141 /nfs/dbraw/zinc/02/11/41/326021141.db2.gz CEGNEWUPDZDDEQ-SNVBAGLBSA-N 1 3 235.331 1.472 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000566614424 326067853 /nfs/dbraw/zinc/06/78/53/326067853.db2.gz RIVPDDYRNJXMHD-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CC[C@@H](C)[NH2+]CCCCN1CCN(CC)CC1 ZINC000154513722 326147990 /nfs/dbraw/zinc/14/79/90/326147990.db2.gz JEXRTBOQFYXLRM-CQSZACIVSA-N 1 3 241.423 1.792 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735406 326241204 /nfs/dbraw/zinc/24/12/04/326241204.db2.gz JCHJREHFLYAOLI-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCC2(CCO)CC2)C1 ZINC000156735406 326241206 /nfs/dbraw/zinc/24/12/06/326241206.db2.gz JCHJREHFLYAOLI-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1NCCCC1(C)C ZINC000567925223 326284252 /nfs/dbraw/zinc/28/42/52/326284252.db2.gz GFUPKAUBUADJBY-GARJFASQSA-N 1 3 241.379 1.007 20 0 BDADHO CC[C@@H](C)C[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000568175093 326319975 /nfs/dbraw/zinc/31/99/75/326319975.db2.gz RHWKLOFPXBOTSQ-CYBMUJFWSA-N 1 3 242.407 1.857 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000568415243 326356185 /nfs/dbraw/zinc/35/61/85/326356185.db2.gz MACQJSVTUHBRJM-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCF ZINC000569093429 326389262 /nfs/dbraw/zinc/38/92/62/326389262.db2.gz VIPYLJCLGTWEBZ-DGCLKSJQSA-N 1 3 224.323 1.894 20 0 BDADHO CCOCCCN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147449588 488024353 /nfs/dbraw/zinc/02/43/53/488024353.db2.gz YPIQQQOWGFMRJP-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO Cc1csc(CCN[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000084221772 488038661 /nfs/dbraw/zinc/03/86/61/488038661.db2.gz OIGBYRWSIAUOEA-WDEREUQCSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1csc(CC[NH2+][C@@H]2CCC[C@H]2CN)n1 ZINC000084221772 488038669 /nfs/dbraw/zinc/03/86/69/488038669.db2.gz OIGBYRWSIAUOEA-WDEREUQCSA-N 1 3 239.388 1.711 20 0 BDADHO C[C@@H](CCN)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000136136888 488083137 /nfs/dbraw/zinc/08/31/37/488083137.db2.gz IZFXBBNIOQLDSR-RYUDHWBXSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@@H](CC[NH3+])NC[C@@H]1CCOc2ccccc21 ZINC000136136888 488083140 /nfs/dbraw/zinc/08/31/40/488083140.db2.gz IZFXBBNIOQLDSR-RYUDHWBXSA-N 1 3 234.343 1.880 20 0 BDADHO CC[C@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236954662 488097965 /nfs/dbraw/zinc/09/79/65/488097965.db2.gz DEMGRSBIPSXISF-NSHDSACASA-N 1 3 221.304 1.082 20 0 BDADHO CCCN1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000389715082 488108702 /nfs/dbraw/zinc/10/87/02/488108702.db2.gz GFTCVLJAUVTYNZ-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CNCc1cccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000669509258 488109236 /nfs/dbraw/zinc/10/92/36/488109236.db2.gz VWNSTDKCOCIONG-GWCFXTLKSA-N 1 3 247.342 1.343 20 0 BDADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508371 488109139 /nfs/dbraw/zinc/10/91/39/488109139.db2.gz OVRVEYPHFBOUOE-ZWNOBZJWSA-N 1 3 247.342 1.472 20 0 BDADHO NCc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000669508352 488109149 /nfs/dbraw/zinc/10/91/49/488109149.db2.gz NSOANRKHPKFAJX-NEPJUHHUSA-N 1 3 247.342 1.601 20 0 BDADHO C[C@@H](C(=O)N(C)CCC[NH3+])[C@H](N)c1ccccc1 ZINC000669511872 488117262 /nfs/dbraw/zinc/11/72/62/488117262.db2.gz KRGKEFADZWLLGU-YPMHNXCESA-N 1 3 249.358 1.130 20 0 BDADHO C[C@@H](O)C1(NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000668699694 488132220 /nfs/dbraw/zinc/13/22/20/488132220.db2.gz QMMHGOJDOWJCOZ-LLVKDONJSA-N 1 3 238.375 1.364 20 0 BDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)N ZINC000166371824 488133161 /nfs/dbraw/zinc/13/31/61/488133161.db2.gz MEUXJKOCCJVNPM-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)N ZINC000166371824 488133166 /nfs/dbraw/zinc/13/31/66/488133166.db2.gz MEUXJKOCCJVNPM-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](O)C1(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000668700620 488135492 /nfs/dbraw/zinc/13/54/92/488135492.db2.gz UKTHASBMQOAUCD-NSHDSACASA-N 1 3 240.391 1.752 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](C2CC2)C1 ZINC000399987480 487498848 /nfs/dbraw/zinc/49/88/48/487498848.db2.gz CYNUDQSWNUAYJE-KBPBESRZSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](C2CC2)C1 ZINC000399987480 487498851 /nfs/dbraw/zinc/49/88/51/487498851.db2.gz CYNUDQSWNUAYJE-KBPBESRZSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)C[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000161879188 487523113 /nfs/dbraw/zinc/52/31/13/487523113.db2.gz KOIKJYZNRUUXPF-NWDGAFQWSA-N 1 3 243.395 1.192 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667927906 488161080 /nfs/dbraw/zinc/16/10/80/488161080.db2.gz JVJUTJJAMKDIHT-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396721989 490220424 /nfs/dbraw/zinc/22/04/24/490220424.db2.gz WNZVTHGMNSXTOY-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO C[N@H+](C[C@@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527265 490223746 /nfs/dbraw/zinc/22/37/46/490223746.db2.gz ZECZUUBFWUMMCW-UPJWGTAASA-N 1 3 238.375 1.029 20 0 BDADHO C[N@@H+](C[C@@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527265 490223750 /nfs/dbraw/zinc/22/37/50/490223750.db2.gz ZECZUUBFWUMMCW-UPJWGTAASA-N 1 3 238.375 1.029 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000084500828 491121972 /nfs/dbraw/zinc/12/19/72/491121972.db2.gz UHZWWBRECBLHHV-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CN(Cc1cncnc1)CC1CC[NH+](C)CC1 ZINC000132203192 491134677 /nfs/dbraw/zinc/13/46/77/491134677.db2.gz XHERXUPBHAYNJL-UHFFFAOYSA-N 1 3 234.347 1.250 20 0 BDADHO C[C@H](NCC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400502475 533834023 /nfs/dbraw/zinc/83/40/23/533834023.db2.gz CLFOGIFZAPOPJR-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CS1 ZINC000306767019 533961511 /nfs/dbraw/zinc/96/15/11/533961511.db2.gz CBAOOTYRTNSYNR-VPOLOUISSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)CCCO1 ZINC000891916770 582737791 /nfs/dbraw/zinc/73/77/91/582737791.db2.gz ORUFWEMLUZATNR-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)CCCO1 ZINC000891916770 582737793 /nfs/dbraw/zinc/73/77/93/582737793.db2.gz ORUFWEMLUZATNR-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)(C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000257680727 534605243 /nfs/dbraw/zinc/60/52/43/534605243.db2.gz GXOVKIPWUKIJEY-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)(C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000257680727 534605247 /nfs/dbraw/zinc/60/52/47/534605247.db2.gz GXOVKIPWUKIJEY-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494686566 527894514 /nfs/dbraw/zinc/89/45/14/527894514.db2.gz OVYRDIGQNGEYPF-ZYHUDNBSSA-N 1 3 229.368 1.138 20 0 BDADHO CCN(CCN[C@@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400721422 528512618 /nfs/dbraw/zinc/51/26/18/528512618.db2.gz OPQZJLAHFPCJKX-WCQYABFASA-N 1 3 225.380 1.201 20 0 BDADHO CCN(CCN[C@H](C)[C@H]1CCC[NH2+]1)C1CC1 ZINC000400721421 528517462 /nfs/dbraw/zinc/51/74/62/528517462.db2.gz OPQZJLAHFPCJKX-DGCLKSJQSA-N 1 3 225.380 1.201 20 0 BDADHO CCCC[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495100840 528835556 /nfs/dbraw/zinc/83/55/56/528835556.db2.gz KJFCALJUXXPCBF-WDEREUQCSA-N 1 3 229.368 1.138 20 0 BDADHO CC(C)COCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000261591123 535176511 /nfs/dbraw/zinc/17/65/11/535176511.db2.gz VBQZYCBCAHQAHS-GFCCVEGCSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)COCC[NH2+][C@@H]1CCNCC1(C)C ZINC000261591123 535176514 /nfs/dbraw/zinc/17/65/14/535176514.db2.gz VBQZYCBCAHQAHS-GFCCVEGCSA-N 1 3 228.380 1.637 20 0 BDADHO CCOCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084216115 535627797 /nfs/dbraw/zinc/62/77/97/535627797.db2.gz BONGANRAPBWHLJ-QWRGUYRKSA-N 1 3 200.326 1.130 20 0 BDADHO CCOCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000084216115 535627803 /nfs/dbraw/zinc/62/78/03/535627803.db2.gz BONGANRAPBWHLJ-QWRGUYRKSA-N 1 3 200.326 1.130 20 0 BDADHO CCC[C@]1(CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261811346 535767355 /nfs/dbraw/zinc/76/73/55/535767355.db2.gz HRIHHOKRPPIRET-UONOGXRCSA-N 1 3 240.391 1.613 20 0 BDADHO CCC[C@]1(CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261811346 535767360 /nfs/dbraw/zinc/76/73/60/535767360.db2.gz HRIHHOKRPPIRET-UONOGXRCSA-N 1 3 240.391 1.613 20 0 BDADHO CCN1C[C@H](NCCC[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000343153627 535783842 /nfs/dbraw/zinc/78/38/42/535783842.db2.gz DOGZDUYSWFMMMR-KBPBESRZSA-N 1 3 241.423 1.647 20 0 BDADHO CCN1C[C@H](NCCC[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000343153627 535783843 /nfs/dbraw/zinc/78/38/43/535783843.db2.gz DOGZDUYSWFMMMR-KBPBESRZSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@H](C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052762 535895405 /nfs/dbraw/zinc/89/54/05/535895405.db2.gz XUXIEZKAWCCLOE-WYTNZGFTSA-N 1 3 240.391 1.608 20 0 BDADHO CC[C@H](C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052762 535895407 /nfs/dbraw/zinc/89/54/07/535895407.db2.gz XUXIEZKAWCCLOE-WYTNZGFTSA-N 1 3 240.391 1.608 20 0 BDADHO CN(C)Cc1cccc(C(=O)NC(C)(C)C[NH3+])c1 ZINC000262549490 536024572 /nfs/dbraw/zinc/02/45/72/536024572.db2.gz PZXRVEKHWVFWFZ-UHFFFAOYSA-N 1 3 249.358 1.215 20 0 BDADHO C[N@H+](CCC1CCOCC1)C[C@@H]1CCCNC1 ZINC000258942761 536326210 /nfs/dbraw/zinc/32/62/10/536326210.db2.gz IATAZRYMMFJBQI-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](CCC1CCOCC1)C[C@@H]1CCCNC1 ZINC000258942761 536326213 /nfs/dbraw/zinc/32/62/13/536326213.db2.gz IATAZRYMMFJBQI-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO CN(CCC1CCOCC1)C[C@@H]1CCC[NH2+]C1 ZINC000258942761 536326214 /nfs/dbraw/zinc/32/62/14/536326214.db2.gz IATAZRYMMFJBQI-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO COCCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500635 536591704 /nfs/dbraw/zinc/59/17/04/536591704.db2.gz FCPMHAXNEHBALT-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C1CC1 ZINC000261967510 536646315 /nfs/dbraw/zinc/64/63/15/536646315.db2.gz BSSYFLCJQOIDJX-QJPTWQEYSA-N 1 3 212.337 1.128 20 0 BDADHO COCC[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000251275311 536767618 /nfs/dbraw/zinc/76/76/18/536767618.db2.gz CNELLXXHFDQRMY-NEPJUHHUSA-N 1 3 216.369 1.717 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348105145 566264935 /nfs/dbraw/zinc/26/49/35/566264935.db2.gz FSOXVFMBKOTXLC-OLZOCXBDSA-N 1 3 238.375 1.221 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]C[C@@H]1CCCOC1 ZINC000853247434 588729034 /nfs/dbraw/zinc/72/90/34/588729034.db2.gz PJCUUANPKRTIJW-NWDGAFQWSA-N 1 3 214.353 1.376 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@@H](O)c2ccccc21 ZINC000854229307 588780992 /nfs/dbraw/zinc/78/09/92/588780992.db2.gz KRPXOVJBXNYWOJ-FBUXBERBSA-N 1 3 246.354 1.882 20 0 BDADHO Cc1cc(NCC2CC[NH+](C)CC2)nc(N)n1 ZINC000112013426 588780223 /nfs/dbraw/zinc/78/02/23/588780223.db2.gz SUGVDMXLHUWMFA-UHFFFAOYSA-N 1 3 235.335 1.121 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1C=CCC1 ZINC000854221731 588780247 /nfs/dbraw/zinc/78/02/47/588780247.db2.gz UBQHAPBOAFURHH-FIQHERPVSA-N 1 3 210.321 1.047 20 0 BDADHO CC[NH+](CC)C[C@H](C)Nc1ccncc1CO ZINC000892033964 582767287 /nfs/dbraw/zinc/76/72/87/582767287.db2.gz YJNIPLAYVGNHMJ-NSHDSACASA-N 1 3 237.347 1.138 20 0 BDADHO C[C@H]1C[NH+](CC2CCN(C)CC2)C[C@@H]1C ZINC000892068312 582782878 /nfs/dbraw/zinc/78/28/78/582782878.db2.gz KLANFNVVVDYVCD-RYUDHWBXSA-N 1 3 210.365 1.916 20 0 BDADHO COC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000319189525 582855446 /nfs/dbraw/zinc/85/54/46/582855446.db2.gz OKKQRPJSPUZYEU-BETUJISGSA-N 1 3 238.375 1.487 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892668842 582946511 /nfs/dbraw/zinc/94/65/11/582946511.db2.gz RIDFHIRHNXMKNE-WCQYABFASA-N 1 3 242.363 1.260 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166778 583365367 /nfs/dbraw/zinc/36/53/67/583365367.db2.gz FNJGCUFGWSWBPQ-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878166778 583365370 /nfs/dbraw/zinc/36/53/70/583365370.db2.gz FNJGCUFGWSWBPQ-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CO[C@H]1CC[N@H+](CC2CCN(C)CC2)C[C@@H]1C ZINC000894720305 583513143 /nfs/dbraw/zinc/51/31/43/583513143.db2.gz UUUYSAIKXOPZCX-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@@H]1C ZINC000894720305 583513144 /nfs/dbraw/zinc/51/31/44/583513144.db2.gz UUUYSAIKXOPZCX-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO C[NH+]1CCC(CN2CC(C(F)F)C2)CC1 ZINC000894829155 583527158 /nfs/dbraw/zinc/52/71/58/583527158.db2.gz YXTZENPKPGIEOB-UHFFFAOYSA-N 1 3 218.291 1.525 20 0 BDADHO CN1CCC(C[NH+]2CC(C(C)(C)O)C2)CC1 ZINC000894830091 583527211 /nfs/dbraw/zinc/52/72/11/583527211.db2.gz IZGWCSFVYNPECL-UHFFFAOYSA-N 1 3 226.364 1.031 20 0 BDADHO C[NH+]1CCC(CN2CCC[C@@H](F)C2)CC1 ZINC000895191620 583621723 /nfs/dbraw/zinc/62/17/23/583621723.db2.gz QOSSLVUZUYBOML-GFCCVEGCSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@H](CC[NH2+][C@@H](C)C1CCOCC1)N(C)C ZINC000895292555 583636985 /nfs/dbraw/zinc/63/69/85/583636985.db2.gz GUUONFIFZULHCR-NEPJUHHUSA-N 1 3 228.380 1.731 20 0 BDADHO CC1=NO[C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000895302969 583644880 /nfs/dbraw/zinc/64/48/80/583644880.db2.gz XZGMUNKUIHBKGN-NWDGAFQWSA-N 1 3 239.363 1.614 20 0 BDADHO CC1=NO[C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000895302972 583645018 /nfs/dbraw/zinc/64/50/18/583645018.db2.gz XZGMUNKUIHBKGN-VXGBXAGGSA-N 1 3 239.363 1.614 20 0 BDADHO C[C@H](CC[NH2+]C1CC2(C1)CO[C@@H](C)C2)N(C)C ZINC000895429263 583669093 /nfs/dbraw/zinc/66/90/93/583669093.db2.gz LZWXOCKJHHMGEE-KBHBFKLGSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@@H](C)CN1CCC(C)([NH+]2CCC2)CC1 ZINC000895671455 583706324 /nfs/dbraw/zinc/70/63/24/583706324.db2.gz PFBSDNCHNVWYTK-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CC1(C)CC(NC[C@H](O)C2CC2)CC(C)(C)[NH2+]1 ZINC000840732611 583945625 /nfs/dbraw/zinc/94/56/25/583945625.db2.gz FWVHXDCEEDRCFQ-LBPRGKRZSA-N 1 3 240.391 1.656 20 0 BDADHO CC1(C)CC([NH2+]C[C@H](O)C2CC2)CC(C)(C)N1 ZINC000840732611 583945626 /nfs/dbraw/zinc/94/56/26/583945626.db2.gz FWVHXDCEEDRCFQ-LBPRGKRZSA-N 1 3 240.391 1.656 20 0 BDADHO CC[NH+]1CCC(Nc2ccnc(CO)c2)CC1 ZINC000858327105 588945954 /nfs/dbraw/zinc/94/59/54/588945954.db2.gz HMUHISDTOXNFLY-UHFFFAOYSA-N 1 3 235.331 1.470 20 0 BDADHO OCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000858355833 588948415 /nfs/dbraw/zinc/94/84/15/588948415.db2.gz WNGXHJPZPGOEGY-TZMCWYRMSA-N 1 3 247.342 1.613 20 0 BDADHO OCc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000858355833 588948417 /nfs/dbraw/zinc/94/84/17/588948417.db2.gz WNGXHJPZPGOEGY-TZMCWYRMSA-N 1 3 247.342 1.613 20 0 BDADHO C[N@@H+]1C[C@@H]2CN(CCC[C@@H]3CCO3)C[C@]2(C)C1 ZINC000897620075 584032450 /nfs/dbraw/zinc/03/24/50/584032450.db2.gz GKNFWMBHCDDDMU-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1C[C@@H]2CN(CCC[C@@H]3CCO3)C[C@]2(C)C1 ZINC000897620075 584032451 /nfs/dbraw/zinc/03/24/51/584032451.db2.gz GKNFWMBHCDDDMU-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO C[C@H](NC[C@@H]1C[C@@H]2CCC[C@H]2O1)C1C[NH2+]C1 ZINC000873281881 584128660 /nfs/dbraw/zinc/12/86/60/584128660.db2.gz QHEQROHBYUACRI-XRRVDJEJSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CNC1 ZINC000873281881 584128663 /nfs/dbraw/zinc/12/86/63/584128663.db2.gz QHEQROHBYUACRI-XRRVDJEJSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@@H](NC(=[NH2+])NCC1=CCN(C)CC1)C1CC1 ZINC000899270940 584191165 /nfs/dbraw/zinc/19/11/65/584191165.db2.gz QRZFOFWLKBWHLF-SNVBAGLBSA-N 1 3 236.363 1.161 20 0 BDADHO C[NH+](C)C1(CNc2ccnc(CO)c2)CC1 ZINC000858572761 588967759 /nfs/dbraw/zinc/96/77/59/588967759.db2.gz SZVKKHLFFQCWEZ-UHFFFAOYSA-N 1 3 221.304 1.080 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321137 584551911 /nfs/dbraw/zinc/55/19/11/584551911.db2.gz UXISSJKIGLVDCJ-YNEHKIRRSA-N 1 3 242.407 1.761 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902321137 584551913 /nfs/dbraw/zinc/55/19/13/584551913.db2.gz UXISSJKIGLVDCJ-YNEHKIRRSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316175 584555988 /nfs/dbraw/zinc/55/59/88/584555988.db2.gz FGLZAIZUCLTQHC-NWDGAFQWSA-N 1 3 227.396 1.304 20 0 BDADHO CSCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902326136 584560280 /nfs/dbraw/zinc/56/02/80/584560280.db2.gz BCAUPAJNUYDSNL-SNVBAGLBSA-N 1 3 216.394 1.717 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902371746 584566769 /nfs/dbraw/zinc/56/67/69/584566769.db2.gz UOYCUDGQOMJBRR-SRVKXCTJSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371746 584566770 /nfs/dbraw/zinc/56/67/70/584566770.db2.gz UOYCUDGQOMJBRR-SRVKXCTJSA-N 1 3 228.380 1.514 20 0 BDADHO C/C=C/C[C@H](CO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374401 584567527 /nfs/dbraw/zinc/56/75/27/584567527.db2.gz LPFCSYRHSVIMRO-QITAHTHBSA-N 1 3 240.391 1.681 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000902407196 584574868 /nfs/dbraw/zinc/57/48/68/584574868.db2.gz QALSAETUIQKKAI-WDEREUQCSA-N 1 3 226.364 1.659 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000902407190 584575048 /nfs/dbraw/zinc/57/50/48/584575048.db2.gz QALSAETUIQKKAI-GHMZBOCLSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@@H](CCCO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902386404 584578209 /nfs/dbraw/zinc/57/82/09/584578209.db2.gz DESIMKAQVHOJJE-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902387273 584579179 /nfs/dbraw/zinc/57/91/79/584579179.db2.gz IXRBISYNBOBVDU-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H](CCO)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902387272 584579239 /nfs/dbraw/zinc/57/92/39/584579239.db2.gz IXRBISYNBOBVDU-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000902389667 584580708 /nfs/dbraw/zinc/58/07/08/584580708.db2.gz ZCOZMBVMSUIMSN-YNEHKIRRSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394519 584584742 /nfs/dbraw/zinc/58/47/42/584584742.db2.gz YLQTXNWOTHZCGS-WOPDTQHZSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453297 584607906 /nfs/dbraw/zinc/60/79/06/584607906.db2.gz OVTNGYKDPWDXNE-ICTWVBNZSA-N 1 3 248.370 1.281 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453296 584608300 /nfs/dbraw/zinc/60/83/00/584608300.db2.gz OVTNGYKDPWDXNE-FKGQBLIQSA-N 1 3 248.370 1.281 20 0 BDADHO C1=CCC[C@@H](CN[C@H]2C[NH2+]CCOC2)CCC1 ZINC000902457993 584610404 /nfs/dbraw/zinc/61/04/04/584610404.db2.gz WILTUABZJACHAE-KGLIPLIRSA-N 1 3 238.375 1.701 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1cn(C)cn1 ZINC000902460672 584611489 /nfs/dbraw/zinc/61/14/89/584611489.db2.gz IHUMRMPKRZMVFA-JTQLQIEISA-N 1 3 210.325 1.027 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CN1C1CC1 ZINC000902465015 584613098 /nfs/dbraw/zinc/61/30/98/584613098.db2.gz FPECVYALCYHSLE-XBNNWQEZSA-N 1 3 235.375 1.094 20 0 BDADHO C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470256 584616931 /nfs/dbraw/zinc/61/69/31/584616931.db2.gz VNFWWUHNTLXKQT-JZRPKSSGSA-N 1 3 206.333 1.658 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCC[C@H](O)C2CC2)C12CCC2 ZINC000902504610 584621404 /nfs/dbraw/zinc/62/14/04/584621404.db2.gz OYNFGDSDQDMKJR-QJPTWQEYSA-N 1 3 224.348 1.007 20 0 BDADHO C[C@@H](NC[C@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000902483969 584624590 /nfs/dbraw/zinc/62/45/90/584624590.db2.gz TZSJHFUTMXWVQB-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CCN1CCC[C@H]1C[NH2+]C1CCN(C)CC1 ZINC000019959653 584654870 /nfs/dbraw/zinc/65/48/70/584654870.db2.gz TZVQHGIYHKBLAT-ZDUSSCGKSA-N 1 3 225.380 1.155 20 0 BDADHO CN1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903091107 584725753 /nfs/dbraw/zinc/72/57/53/584725753.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 1 3 249.402 1.438 20 0 BDADHO CN1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903091107 584725756 /nfs/dbraw/zinc/72/57/56/584725756.db2.gz NHXWBDDBPQOSBA-IKKMQULASA-N 1 3 249.402 1.438 20 0 BDADHO CO[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158088 584731295 /nfs/dbraw/zinc/73/12/95/584731295.db2.gz QNKYWYSWFIDREN-CRMUJIHISA-N 1 3 238.375 1.769 20 0 BDADHO CO[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158088 584731296 /nfs/dbraw/zinc/73/12/96/584731296.db2.gz QNKYWYSWFIDREN-CRMUJIHISA-N 1 3 238.375 1.769 20 0 BDADHO CN1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224158 584738323 /nfs/dbraw/zinc/73/83/23/584738323.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 1 3 249.402 1.438 20 0 BDADHO CN1CC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224158 584738325 /nfs/dbraw/zinc/73/83/25/584738325.db2.gz QTWSGJPLOPDBCM-CHEQUFIKSA-N 1 3 249.402 1.438 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903287376 584745863 /nfs/dbraw/zinc/74/58/63/584745863.db2.gz REBPNEUSOWESDG-BVYDJPLYSA-N 1 3 248.370 1.092 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000903287376 584745864 /nfs/dbraw/zinc/74/58/64/584745864.db2.gz REBPNEUSOWESDG-BVYDJPLYSA-N 1 3 248.370 1.092 20 0 BDADHO CN1CC[C@@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000903324042 584747385 /nfs/dbraw/zinc/74/73/85/584747385.db2.gz UDKWVXYFPSTWJA-CYBMUJFWSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CC[C@@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000903324042 584747386 /nfs/dbraw/zinc/74/73/86/584747386.db2.gz UDKWVXYFPSTWJA-CYBMUJFWSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C[C@H]1CCOC1)C1CC1 ZINC000903431203 584761519 /nfs/dbraw/zinc/76/15/19/584761519.db2.gz IKAZRKOTIFACPA-UPJWGTAASA-N 1 3 238.375 1.343 20 0 BDADHO COC(=O)CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903471319 584775430 /nfs/dbraw/zinc/77/54/30/584775430.db2.gz IMGJSTMTJYTXMY-NSHDSACASA-N 1 3 240.347 1.204 20 0 BDADHO C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000903472931 584775958 /nfs/dbraw/zinc/77/59/58/584775958.db2.gz XDWTWHUTAWVCLC-SRVKXCTJSA-N 1 3 224.348 1.286 20 0 BDADHO OCC[C@@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903768681 584798084 /nfs/dbraw/zinc/79/80/84/584798084.db2.gz PABONHHAMZYOOX-KBPBESRZSA-N 1 3 240.391 1.613 20 0 BDADHO CC1(C)C[C@@H](O)CN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778024 584799871 /nfs/dbraw/zinc/79/98/71/584799871.db2.gz IUGZKINHEJKNOG-CHWSQXEVSA-N 1 3 240.391 1.469 20 0 BDADHO N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC=CC1)C2 ZINC000903842990 584807744 /nfs/dbraw/zinc/80/77/44/584807744.db2.gz ZYJVMTOJSYOEAQ-AVGNSLFASA-N 1 3 206.333 1.764 20 0 BDADHO N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC=CC1)C2 ZINC000903842990 584807745 /nfs/dbraw/zinc/80/77/45/584807745.db2.gz ZYJVMTOJSYOEAQ-AVGNSLFASA-N 1 3 206.333 1.764 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903856191 584809119 /nfs/dbraw/zinc/80/91/19/584809119.db2.gz QIKITQPULRUASU-KBPBESRZSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903856191 584809120 /nfs/dbraw/zinc/80/91/20/584809120.db2.gz QIKITQPULRUASU-KBPBESRZSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856191 584809121 /nfs/dbraw/zinc/80/91/21/584809121.db2.gz QIKITQPULRUASU-KBPBESRZSA-N 1 3 248.374 1.395 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CCCCCCO ZINC000903857447 584810196 /nfs/dbraw/zinc/81/01/96/584810196.db2.gz VHJLBKXALSRGQB-QWHCGFSZSA-N 1 3 226.364 1.352 20 0 BDADHO CO[C@H]1C[C@@H](CN2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000903860979 584811679 /nfs/dbraw/zinc/81/16/79/584811679.db2.gz VERDMQJFKHRPRN-FVCCEPFGSA-N 1 3 224.348 1.225 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000903909987 584822051 /nfs/dbraw/zinc/82/20/51/584822051.db2.gz ZCDFNKQKWSMOEY-GARJFASQSA-N 1 3 249.349 1.383 20 0 BDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNCCC1CC1 ZINC000903923515 584823510 /nfs/dbraw/zinc/82/35/10/584823510.db2.gz WBQNYCJYFBUNIZ-LBPRGKRZSA-N 1 3 249.362 1.092 20 0 BDADHO C[C@@H](CNC[C@@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932375 584824832 /nfs/dbraw/zinc/82/48/32/584824832.db2.gz CECQDDOUUMHTDR-UWVGGRQHSA-N 1 3 243.301 1.757 20 0 BDADHO C[C@@H](CNC[C@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932376 584825188 /nfs/dbraw/zinc/82/51/88/584825188.db2.gz CECQDDOUUMHTDR-VHSXEESVSA-N 1 3 243.301 1.757 20 0 BDADHO Cc1c(C[C@H](C[NH3+])CN[C@@H]2C=CCC2)cnn1C ZINC000903933318 584825316 /nfs/dbraw/zinc/82/53/16/584825316.db2.gz OVBURYZDIWQIQE-TZMCWYRMSA-N 1 3 248.374 1.154 20 0 BDADHO C[C@@]1(CN2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904301552 584861638 /nfs/dbraw/zinc/86/16/38/584861638.db2.gz NRRORSCUCNEWEZ-CHWSQXEVSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@]1(C[N@@H+]2CCC[C@@H](CO)C2)CCCNC1 ZINC000904301552 584861639 /nfs/dbraw/zinc/86/16/39/584861639.db2.gz NRRORSCUCNEWEZ-CHWSQXEVSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@]1(C[N@H+]2CCC[C@@H](CO)C2)CCCNC1 ZINC000904301552 584861640 /nfs/dbraw/zinc/86/16/40/584861640.db2.gz NRRORSCUCNEWEZ-CHWSQXEVSA-N 1 3 226.364 1.080 20 0 BDADHO CC[N@H+](C[C@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000904310017 584862583 /nfs/dbraw/zinc/86/25/83/584862583.db2.gz UVZBZHNELGPPLF-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CC[N@@H+](C[C@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000904310017 584862584 /nfs/dbraw/zinc/86/25/84/584862584.db2.gz UVZBZHNELGPPLF-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCc3c(F)cccc3C2)C1 ZINC000904318707 584863981 /nfs/dbraw/zinc/86/39/81/584863981.db2.gz TZGISFXSCUZCIV-KLPPZKSPSA-N 1 3 234.318 1.921 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@]1(C)CCCNC1 ZINC000904321942 584864702 /nfs/dbraw/zinc/86/47/02/584864702.db2.gz KXNCWNHRFDHVNY-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@]1(C)CCCNC1 ZINC000904321942 584864704 /nfs/dbraw/zinc/86/47/04/584864704.db2.gz KXNCWNHRFDHVNY-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@@H]1O ZINC000904341479 584867502 /nfs/dbraw/zinc/86/75/02/584867502.db2.gz RWKLUHKDQLUERY-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)CC[C@@H]1O ZINC000904341479 584867503 /nfs/dbraw/zinc/86/75/03/584867503.db2.gz RWKLUHKDQLUERY-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)CC[C@@H]1O ZINC000904341479 584867504 /nfs/dbraw/zinc/86/75/04/584867504.db2.gz RWKLUHKDQLUERY-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@]12COC[C@H]1C[N@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379811 584876594 /nfs/dbraw/zinc/87/65/94/584876594.db2.gz XWFZFFVFOUWFGU-HZSPNIEDSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@]12COC[C@H]1C[N@@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379811 584876595 /nfs/dbraw/zinc/87/65/95/584876595.db2.gz XWFZFFVFOUWFGU-HZSPNIEDSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H](NCc1nccn1C1CC1)C1CC[NH2+]CC1 ZINC000904383995 584877292 /nfs/dbraw/zinc/87/72/92/584877292.db2.gz GEQQKFGRKUPOKU-NSHDSACASA-N 1 3 248.374 1.696 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1CO ZINC000904381587 584877433 /nfs/dbraw/zinc/87/74/33/584877433.db2.gz ZERDAMOKVKWUSE-MCIONIFRSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C[C@@H]1CO ZINC000904381587 584877434 /nfs/dbraw/zinc/87/74/34/584877434.db2.gz ZERDAMOKVKWUSE-MCIONIFRSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C[C@@H]1CO ZINC000904381587 584877436 /nfs/dbraw/zinc/87/74/36/584877436.db2.gz ZERDAMOKVKWUSE-MCIONIFRSA-N 1 3 240.391 1.326 20 0 BDADHO [NH3+]CC1CC(N[C@@H]2CCCn3nccc32)C1 ZINC000904384840 584877474 /nfs/dbraw/zinc/87/74/74/584877474.db2.gz NOZLIIFIYGWMLP-VQXHTEKXSA-N 1 3 220.320 1.045 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000904385324 584877939 /nfs/dbraw/zinc/87/79/39/584877939.db2.gz VPTVVMZASHHUIS-XQQFMLRXSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000904385324 584877940 /nfs/dbraw/zinc/87/79/40/584877940.db2.gz VPTVVMZASHHUIS-XQQFMLRXSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H]1CN(CC2(F)CC2)CC[C@H]1C[NH3+] ZINC000904409744 584879075 /nfs/dbraw/zinc/87/90/75/584879075.db2.gz HMDWKTTZKSMIMH-UWVGGRQHSA-N 1 3 200.301 1.405 20 0 BDADHO Cc1nn(C)cc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412178 584879552 /nfs/dbraw/zinc/87/95/52/584879552.db2.gz RUTMRIOKRARMCU-JQWIXIFHSA-N 1 3 236.363 1.145 20 0 BDADHO Cc1cccc(CN2CCNCC[NH2+]CC2)c1C ZINC000904397194 584880248 /nfs/dbraw/zinc/88/02/48/584880248.db2.gz BHQJGJABDURKIE-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO Cc1cccc(C[NH+]2CCNCCNCC2)c1C ZINC000904397194 584880250 /nfs/dbraw/zinc/88/02/50/584880250.db2.gz BHQJGJABDURKIE-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO CC[C@H]1C[C@H](C[N@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000904417423 584881564 /nfs/dbraw/zinc/88/15/64/584881564.db2.gz BOSXQUGZEJGJKO-SYQHCUMBSA-N 1 3 240.391 1.718 20 0 BDADHO CC[C@H]1C[C@H](C[N@@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000904417423 584881565 /nfs/dbraw/zinc/88/15/65/584881565.db2.gz BOSXQUGZEJGJKO-SYQHCUMBSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H](CCO)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342027 585751870 /nfs/dbraw/zinc/75/18/70/585751870.db2.gz QBSWFSFSVLHYCF-MJBXVCDLSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H](CCO)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342027 585751871 /nfs/dbraw/zinc/75/18/71/585751871.db2.gz QBSWFSFSVLHYCF-MJBXVCDLSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H](CCO)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000779342027 585751872 /nfs/dbraw/zinc/75/18/72/585751872.db2.gz QBSWFSFSVLHYCF-MJBXVCDLSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779346095 585752185 /nfs/dbraw/zinc/75/21/85/585752185.db2.gz UHNSWFLGDFINJL-STQMWFEESA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1cc[nH]c(=O)c1 ZINC000788694063 585929117 /nfs/dbraw/zinc/92/91/17/585929117.db2.gz UQGPNPKQGPRXBG-NSHDSACASA-N 1 3 247.342 1.700 20 0 BDADHO CC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815143318 586669294 /nfs/dbraw/zinc/66/92/94/586669294.db2.gz HFDQNMAJQJCJLB-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815143318 586669296 /nfs/dbraw/zinc/66/92/96/586669296.db2.gz HFDQNMAJQJCJLB-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CSCCS1 ZINC000817898553 586831436 /nfs/dbraw/zinc/83/14/36/586831436.db2.gz ISNKCBAHHVABKB-AEJSXWLSSA-N 1 3 232.418 1.304 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)c1cccc(F)c1 ZINC000817888751 586831953 /nfs/dbraw/zinc/83/19/53/586831953.db2.gz KCSRDXFTTFHNJD-CWSCBRNRSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1COc2ccccc2C1 ZINC000817892645 586833179 /nfs/dbraw/zinc/83/31/79/586833179.db2.gz VWFSFBNPLMNDDX-AVGNSLFASA-N 1 3 248.370 1.953 20 0 BDADHO CSCC[C@H](C)[NH2+][C@H](C)C[C@H](C)N ZINC000817894116 586833986 /nfs/dbraw/zinc/83/39/86/586833986.db2.gz BRHJXSWVENREKN-LPEHRKFASA-N 1 3 204.383 1.843 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N1CCCCC1 ZINC000817913185 586838157 /nfs/dbraw/zinc/83/81/57/586838157.db2.gz HHVFZHVXUMJGRW-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000817913186 586838468 /nfs/dbraw/zinc/83/84/68/586838468.db2.gz HHVFZHVXUMJGRW-MGPQQGTHSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC=CO1 ZINC000817924872 586840935 /nfs/dbraw/zinc/84/09/35/586840935.db2.gz ZPQOUIAKIIOGDZ-UPJWGTAASA-N 1 3 224.348 1.657 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000817924872 586840937 /nfs/dbraw/zinc/84/09/37/586840937.db2.gz ZPQOUIAKIIOGDZ-UPJWGTAASA-N 1 3 224.348 1.657 20 0 BDADHO CC1(C[NH2+][C@@H]2CCCCC[C@H]2N)OCCCO1 ZINC000817926417 586841321 /nfs/dbraw/zinc/84/13/21/586841321.db2.gz IFIGTENZPAYTAA-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000817925269 586841326 /nfs/dbraw/zinc/84/13/26/586841326.db2.gz UQXNXAZOMHVKTF-KBPBESRZSA-N 1 3 248.370 1.883 20 0 BDADHO CCc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000817928930 586842400 /nfs/dbraw/zinc/84/24/00/586842400.db2.gz IJZXWWPKRMZZBP-RRFJBIMHSA-N 1 3 248.370 1.752 20 0 BDADHO C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000817928619 586842423 /nfs/dbraw/zinc/84/24/23/586842423.db2.gz ZEROTPHYRUURRK-FRRDWIJNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]([NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817971783 586859625 /nfs/dbraw/zinc/85/96/25/586859625.db2.gz PZQVZVXJONTRGC-IUCAKERBSA-N 1 3 204.383 1.843 20 0 BDADHO C(N[C@H]1CC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949633 586847428 /nfs/dbraw/zinc/84/74/28/586847428.db2.gz LCQKKHUJDAVYSL-UPJWGTAASA-N 1 3 208.349 1.907 20 0 BDADHO NCc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000818533011 586898359 /nfs/dbraw/zinc/89/83/59/586898359.db2.gz ZVWFOGSFNNWZKJ-CYBMUJFWSA-N 1 3 247.342 1.099 20 0 BDADHO C[C@](C[NH3+])(NC(=O)c1cccc(CN)c1)C1CC1 ZINC000818554556 586900018 /nfs/dbraw/zinc/90/00/18/586900018.db2.gz WKSYFRDTBWUNKH-CQSZACIVSA-N 1 3 247.342 1.003 20 0 BDADHO CC(C)(CCC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000818602626 586904626 /nfs/dbraw/zinc/90/46/26/586904626.db2.gz OYYOBRPGSYGVCY-UHFFFAOYSA-N 1 3 249.358 1.393 20 0 BDADHO C[C@H](O)C[NH2+][C@@H](C)c1cccc(CN(C)C)c1 ZINC000820803373 587072634 /nfs/dbraw/zinc/07/26/34/587072634.db2.gz OBIUWAFBAOGTAC-RYUDHWBXSA-N 1 3 236.359 1.780 20 0 BDADHO NC1(C[NH2+]Cc2ccc3c(c2)COC3)CCC1 ZINC000841048778 587940281 /nfs/dbraw/zinc/94/02/81/587940281.db2.gz LQZDKCIHXOKIOS-UHFFFAOYSA-N 1 3 232.327 1.688 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCCC1CCOCC1 ZINC000841064243 587941913 /nfs/dbraw/zinc/94/19/13/587941913.db2.gz WMOUCGVDLBJMAI-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO C1[NH2+]C[C@@H]2[C@H]1[C@H]2NC1CCCCCCC1 ZINC000841078957 587945017 /nfs/dbraw/zinc/94/50/17/587945017.db2.gz FTBOHGQGDADQJL-ITGUQSILSA-N 1 3 208.349 1.907 20 0 BDADHO CN(Cc1cnc(N)s1)C1CCC([NH3+])CC1 ZINC000843054922 588078001 /nfs/dbraw/zinc/07/80/01/588078001.db2.gz NRXGIXJLEBFWKG-UHFFFAOYSA-N 1 3 240.376 1.427 20 0 BDADHO Cn1nccc1CNCCCCCC[NH3+] ZINC000843127833 588084896 /nfs/dbraw/zinc/08/48/96/588084896.db2.gz JBTUCOLRUFRBFI-UHFFFAOYSA-N 1 3 210.325 1.029 20 0 BDADHO [NH3+]CCCCCCN[C@@H]1CCn2ccnc21 ZINC000843342943 588101574 /nfs/dbraw/zinc/10/15/74/588101574.db2.gz VPHJRESTVZNPPF-LLVKDONJSA-N 1 3 222.336 1.437 20 0 BDADHO C[C@@](CN)([NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC000843356662 588103607 /nfs/dbraw/zinc/10/36/07/588103607.db2.gz ZPWZMDAVMKVLQN-LBPRGKRZSA-N 1 3 239.750 1.952 20 0 BDADHO Cn1c(Cl)cnc1CNCCC1(C[NH3+])CC1 ZINC000844903904 588219094 /nfs/dbraw/zinc/21/90/94/588219094.db2.gz RJENFYPDQGEPEB-UHFFFAOYSA-N 1 3 242.754 1.292 20 0 BDADHO Cl/C=C\CN1CCC2(C1)CC[NH2+]CC2 ZINC000846219669 588260665 /nfs/dbraw/zinc/26/06/65/588260665.db2.gz FAIBVDXYDUNICG-KTAJNNJTSA-N 1 3 214.740 1.814 20 0 BDADHO CN(CCC[NH3+])[C@@H]1C[C@H]1c1ccccc1 ZINC000846222012 588261005 /nfs/dbraw/zinc/26/10/05/588261005.db2.gz KHCDUOHRJVKMOI-QWHCGFSZSA-N 1 3 204.317 1.823 20 0 BDADHO CCNC(=[NH2+])NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000848997225 588429719 /nfs/dbraw/zinc/42/97/19/588429719.db2.gz LVHJSCYINYHMGR-LLVKDONJSA-N 1 3 240.395 1.631 20 0 BDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCF ZINC000849030080 588442309 /nfs/dbraw/zinc/44/23/09/588442309.db2.gz BSBMMDSZHCOUFZ-NSHDSACASA-N 1 3 244.358 1.334 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NCCN1CCCC1(C)C ZINC000849039304 588446869 /nfs/dbraw/zinc/44/68/69/588446869.db2.gz REWIYKYGFSRHDE-NSHDSACASA-N 1 3 240.395 1.773 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)C1CC1)C2 ZINC000852107453 588664248 /nfs/dbraw/zinc/66/42/48/588664248.db2.gz LLNVHQWJLKBRTB-ZIAGYGMSSA-N 1 3 238.375 1.175 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)C1CC1)C2 ZINC000852107453 588664249 /nfs/dbraw/zinc/66/42/49/588664249.db2.gz LLNVHQWJLKBRTB-ZIAGYGMSSA-N 1 3 238.375 1.175 20 0 BDADHO CCc1nocc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000852746678 588698769 /nfs/dbraw/zinc/69/87/69/588698769.db2.gz OGVVWHCMZAZXLB-UHFFFAOYSA-N 1 3 249.358 1.813 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)C1CCCC1 ZINC000852744317 588698831 /nfs/dbraw/zinc/69/88/31/588698831.db2.gz YIQGFIHCBLVXAL-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@@H](CN)C1)C1CCCC1 ZINC000852744317 588698832 /nfs/dbraw/zinc/69/88/32/588698832.db2.gz YIQGFIHCBLVXAL-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](CN1CCC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852744317 588698833 /nfs/dbraw/zinc/69/88/33/588698833.db2.gz YIQGFIHCBLVXAL-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC23CCC3)C[C@H](C)O1 ZINC000863483058 589292403 /nfs/dbraw/zinc/29/24/03/589292403.db2.gz POYYYZCHYOKUQE-YVECIDJPSA-N 1 3 238.375 1.817 20 0 BDADHO CC[C@@H]1CCN(C(=[NH2+])NC[C@@H](C)CN(C)C)C1 ZINC000864465833 589370707 /nfs/dbraw/zinc/37/07/07/589370707.db2.gz BYUIFMLIYSVMHC-VXGBXAGGSA-N 1 3 240.395 1.440 20 0 BDADHO [NH3+]CCCN1CC[C@H]2CSC[C@@H]2C1 ZINC000866704196 589513759 /nfs/dbraw/zinc/51/37/59/589513759.db2.gz RJSDDRIZNCHHFZ-UWVGGRQHSA-N 1 3 200.351 1.020 20 0 BDADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)[C@H]1CC[NH2+]1 ZINC000867987165 589542764 /nfs/dbraw/zinc/54/27/64/589542764.db2.gz HWNSNVIGODYQCK-PWSUYJOCSA-N 1 3 245.326 1.174 20 0 BDADHO CN(C[C@H]1CC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000872141847 589882567 /nfs/dbraw/zinc/88/25/67/589882567.db2.gz WEHOGRGZIQXQII-GFCCVEGCSA-N 1 3 240.391 1.862 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000872253883 589899535 /nfs/dbraw/zinc/89/95/35/589899535.db2.gz LRUMXUDRYJLDON-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO CN(CCC1OCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000124399497 589984401 /nfs/dbraw/zinc/98/44/01/589984401.db2.gz KKHRNAOCDLYJFV-LBPRGKRZSA-N 1 3 242.363 1.023 20 0 BDADHO CN(CCC1OCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000124399497 589984402 /nfs/dbraw/zinc/98/44/02/589984402.db2.gz KKHRNAOCDLYJFV-LBPRGKRZSA-N 1 3 242.363 1.023 20 0 BDADHO CC(C)(C)NCC[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873215924 589998073 /nfs/dbraw/zinc/99/80/73/589998073.db2.gz HKTYCPCLDSBLJP-OBPIAQAESA-N 1 3 238.375 1.388 20 0 BDADHO C(C[C@@H]1CCOC1)[NH2+][C@@]12CCC[C@@H]1NCC2 ZINC000873231051 590002894 /nfs/dbraw/zinc/00/28/94/590002894.db2.gz FQEALWBLVPQNCM-FRRDWIJNSA-N 1 3 224.348 1.287 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873239109 590005829 /nfs/dbraw/zinc/00/58/29/590005829.db2.gz OAJFOXFOEJKBGA-WGSKYGEUSA-N 1 3 236.359 1.127 20 0 BDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCCC[C@@H]1F ZINC000873239095 590006115 /nfs/dbraw/zinc/00/61/15/590006115.db2.gz NPUWUWNYYDTAOJ-SDDRHHMPSA-N 1 3 232.343 1.611 20 0 BDADHO CN1Cc2ccccc2[C@@H]1C[NH2+][C@H]1CCC[C@H]1N ZINC000873266786 590014696 /nfs/dbraw/zinc/01/46/96/590014696.db2.gz QNOZSFUPUXFVAX-ILXRZTDVSA-N 1 3 245.370 1.643 20 0 BDADHO C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)c1cnccn1 ZINC000873270066 590016016 /nfs/dbraw/zinc/01/60/16/590016016.db2.gz OPVNVBKZJVXNQT-WDEREUQCSA-N 1 3 234.347 1.515 20 0 BDADHO C[C@H](N[C@@H](C)C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000873272051 590016149 /nfs/dbraw/zinc/01/61/49/590016149.db2.gz OEQZJXNQAHTCPU-QWRGUYRKSA-N 1 3 236.363 1.459 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133688 590291218 /nfs/dbraw/zinc/29/12/18/590291218.db2.gz GZIBILVTVCKOOV-SDDRHHMPSA-N 1 3 233.315 1.177 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877741280 590408267 /nfs/dbraw/zinc/40/82/67/590408267.db2.gz MKAOZVTZYPZFLU-IJLUTSLNSA-N 1 3 212.337 1.047 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000877741280 590408270 /nfs/dbraw/zinc/40/82/70/590408270.db2.gz MKAOZVTZYPZFLU-IJLUTSLNSA-N 1 3 212.337 1.047 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1)C1CC1 ZINC000877741385 590408635 /nfs/dbraw/zinc/40/86/35/590408635.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1)C1CC1 ZINC000877741385 590408637 /nfs/dbraw/zinc/40/86/37/590408637.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741385 590408639 /nfs/dbraw/zinc/40/86/39/590408639.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741385 590408641 /nfs/dbraw/zinc/40/86/41/590408641.db2.gz VLNLIRDDHFYOLF-MELADBBJSA-N 1 3 238.375 1.437 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000879577552 590815486 /nfs/dbraw/zinc/81/54/86/590815486.db2.gz YANASPRHYZRBCW-WDEREUQCSA-N 1 3 200.301 1.372 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000879577552 590815488 /nfs/dbraw/zinc/81/54/88/590815488.db2.gz YANASPRHYZRBCW-WDEREUQCSA-N 1 3 200.301 1.372 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580864 590820153 /nfs/dbraw/zinc/82/01/53/590820153.db2.gz VDCBAHXXZBFNKK-BFHYXJOUSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580864 590820156 /nfs/dbraw/zinc/82/01/56/590820156.db2.gz VDCBAHXXZBFNKK-BFHYXJOUSA-N 1 3 240.391 1.419 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148322 590946214 /nfs/dbraw/zinc/94/62/14/590946214.db2.gz VNKYGAGQPGOQMO-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148322 590946215 /nfs/dbraw/zinc/94/62/15/590946215.db2.gz VNKYGAGQPGOQMO-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CO[C@@H](C)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260028 590979616 /nfs/dbraw/zinc/97/96/16/590979616.db2.gz MJQUFRYTHVBLOG-STQMWFEESA-N 1 3 249.358 1.627 20 0 BDADHO N[C@H](CC1CC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000884007278 591795384 /nfs/dbraw/zinc/79/53/84/591795384.db2.gz VUSYHVLHUFYYCR-GFCCVEGCSA-N 1 3 233.315 1.211 20 0 BDADHO CN[C@@H](CC(C)C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000884253509 591885147 /nfs/dbraw/zinc/88/51/47/591885147.db2.gz MJDLOQKXWRPQKO-ZDUSSCGKSA-N 1 3 249.358 1.718 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859989 592371614 /nfs/dbraw/zinc/37/16/14/592371614.db2.gz MTKZMKDEVHIIPC-UPJWGTAASA-N 1 3 224.348 1.097 20 0 BDADHO CC(C)OCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886868080 592375005 /nfs/dbraw/zinc/37/50/05/592375005.db2.gz VHWQPADKYPMKOA-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@H]1CN(CCCCCCO)CC[C@H]1[NH3+] ZINC000300333966 592507629 /nfs/dbraw/zinc/50/76/29/592507629.db2.gz VCHLNCUGOOMGCH-QWHCGFSZSA-N 1 3 228.380 1.598 20 0 BDADHO CC[C@H]1C[N@H+](CCCCCCO)CC[C@H]1N ZINC000300333966 592507631 /nfs/dbraw/zinc/50/76/31/592507631.db2.gz VCHLNCUGOOMGCH-QWHCGFSZSA-N 1 3 228.380 1.598 20 0 BDADHO CC[C@H]1C[N@@H+](CCCCCCO)CC[C@H]1N ZINC000300333966 592507632 /nfs/dbraw/zinc/50/76/32/592507632.db2.gz VCHLNCUGOOMGCH-QWHCGFSZSA-N 1 3 228.380 1.598 20 0 BDADHO FC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000258153356 634578073 /nfs/dbraw/zinc/57/80/73/634578073.db2.gz SDSOAENSQJQTED-SNVBAGLBSA-N 1 3 200.301 1.420 20 0 BDADHO C[NH+](C)CCOCCN[C@@H]1CCc2cccnc21 ZINC000234264021 635551966 /nfs/dbraw/zinc/55/19/66/635551966.db2.gz SLQJMTRGNUOANS-CYBMUJFWSA-N 1 3 249.358 1.237 20 0 BDADHO [NH3+]CCCNC[C@@H](O)c1ccc2ccccc2c1 ZINC000051356164 631566049 /nfs/dbraw/zinc/56/60/49/631566049.db2.gz AXEZEKUEJFOZMO-OAHLLOKOSA-N 1 3 244.338 1.812 20 0 BDADHO COC[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000062078985 631646187 /nfs/dbraw/zinc/64/61/87/631646187.db2.gz MYOLWZJPMDVLOR-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062078985 631646189 /nfs/dbraw/zinc/64/61/89/631646189.db2.gz MYOLWZJPMDVLOR-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CCC(C)=O)C1 ZINC000176283733 631669890 /nfs/dbraw/zinc/66/98/90/631669890.db2.gz KBZVXSFEOBLSFU-CYBMUJFWSA-N 1 3 226.364 1.629 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000176283733 631669894 /nfs/dbraw/zinc/66/98/94/631669894.db2.gz KBZVXSFEOBLSFU-CYBMUJFWSA-N 1 3 226.364 1.629 20 0 BDADHO Cc1cc(N2CCC(C[NH+](C)C)CC2)nc(N)n1 ZINC000052404296 632400721 /nfs/dbraw/zinc/40/07/21/632400721.db2.gz QHPJKUFBHZZBIK-UHFFFAOYSA-N 1 3 249.362 1.145 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328546028 633774590 /nfs/dbraw/zinc/77/45/90/633774590.db2.gz NHNBUTJCHWHBFB-XDSHMYFISA-N 1 3 249.402 1.057 20 0 BDADHO CC(C)CN1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000019933585 633804612 /nfs/dbraw/zinc/80/46/12/633804612.db2.gz WVPKVEYCBJIBLZ-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO CCCC[NH+]1CCC(N[C@H](C)COC)CC1 ZINC000053174555 633876646 /nfs/dbraw/zinc/87/66/46/633876646.db2.gz NYXDXBGFWNKVEL-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCNc2ccccc2)C12CCC2 ZINC000925537575 633940489 /nfs/dbraw/zinc/94/04/89/633940489.db2.gz MHJUGFUDEALUNY-KGLIPLIRSA-N 1 3 245.370 1.958 20 0 BDADHO C[C@H]([NH3+])[C@H](NC[C@H]1CCCN1C)c1ccccc1 ZINC000925563057 634044003 /nfs/dbraw/zinc/04/40/03/634044003.db2.gz AACJZCUQYCLISH-CFVMTHIKSA-N 1 3 247.386 1.759 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616233 634161907 /nfs/dbraw/zinc/16/19/07/634161907.db2.gz LLCUSLYVGIRMFA-UONOGXRCSA-N 1 3 246.354 1.794 20 0 BDADHO [NH3+][C@H]1C[C@@H](NC[C@H]2CCCO2)C12CCC2 ZINC000925680579 634279980 /nfs/dbraw/zinc/27/99/80/634279980.db2.gz RXYURRRVNDAPGO-OUAUKWLOSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)C12CCC2 ZINC000925680579 634279983 /nfs/dbraw/zinc/27/99/83/634279983.db2.gz RXYURRRVNDAPGO-OUAUKWLOSA-N 1 3 210.321 1.025 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2C[C@H](N)C23CCC3)cn1 ZINC000925683700 634286876 /nfs/dbraw/zinc/28/68/76/634286876.db2.gz AHLWDJAXMQPZIM-STQMWFEESA-N 1 3 246.358 1.187 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1(CF)CCOCC1 ZINC000925683348 634288268 /nfs/dbraw/zinc/28/82/68/634288268.db2.gz PDDLHIHLBMMUPK-NWDGAFQWSA-N 1 3 244.354 1.483 20 0 BDADHO CN(CCC[NH3+])CCc1cccc(F)c1 ZINC000258805191 635204948 /nfs/dbraw/zinc/20/49/48/635204948.db2.gz RVHRTHWCRJNLET-UHFFFAOYSA-N 1 3 210.296 1.649 20 0 BDADHO Cn1cnc2cc(C[NH2+][C@H]3CCC[C@H]3N)ccc21 ZINC000259102175 635241548 /nfs/dbraw/zinc/24/15/48/635241548.db2.gz SFTXVDHBYHCVBX-NEPJUHHUSA-N 1 3 244.342 1.543 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCC(F)(F)F ZINC000925236612 636480477 /nfs/dbraw/zinc/48/04/77/636480477.db2.gz QLKMPSAPPNKEIJ-ULKQDVFKSA-N 1 3 236.281 1.869 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCC(F)(F)F ZINC000925236612 636480484 /nfs/dbraw/zinc/48/04/84/636480484.db2.gz QLKMPSAPPNKEIJ-ULKQDVFKSA-N 1 3 236.281 1.869 20 0 BDADHO C[C@H](C[NH2+][C@H](C)C(C)(C)CO)CN1CCCC1 ZINC000924718535 637032179 /nfs/dbraw/zinc/03/21/79/637032179.db2.gz ZKOVJQDABHEYLI-CHWSQXEVSA-N 1 3 242.407 1.715 20 0 BDADHO CCN(CC)CCC[NH2+]C1CCN(OC)CC1 ZINC000323524140 637084196 /nfs/dbraw/zinc/08/41/96/637084196.db2.gz VARPPUDTKPKNKI-UHFFFAOYSA-N 1 3 243.395 1.334 20 0 BDADHO COCC1(N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902363383 637297797 /nfs/dbraw/zinc/29/77/97/637297797.db2.gz LWXIRRCGRPJASD-NSHDSACASA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)(C)OC[C@@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000903565380 637370640 /nfs/dbraw/zinc/37/06/40/637370640.db2.gz IOEFPVSRINWHQK-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCCCCN(CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903725092 637379114 /nfs/dbraw/zinc/37/91/14/637379114.db2.gz WKMDSPNGTQAONI-CQSZACIVSA-N 1 3 242.407 1.861 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1COC[C@H]1C1CC1 ZINC000904475128 637426576 /nfs/dbraw/zinc/42/65/76/637426576.db2.gz ISTGYNQRZMGIGN-VZZFWQQMSA-N 1 3 238.375 1.532 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911831622 639842495 /nfs/dbraw/zinc/84/24/95/639842495.db2.gz LWIAPPFGFHEDIA-GMXVVIOVSA-N 1 3 243.395 1.240 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931279329 640135133 /nfs/dbraw/zinc/13/51/33/640135133.db2.gz AVFHJDPGKYTSQN-WDNDVIMCSA-N 1 3 248.374 1.073 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931279329 640135141 /nfs/dbraw/zinc/13/51/41/640135141.db2.gz AVFHJDPGKYTSQN-WDNDVIMCSA-N 1 3 248.374 1.073 20 0 BDADHO Cc1nccn1CCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931279329 640135150 /nfs/dbraw/zinc/13/51/50/640135150.db2.gz AVFHJDPGKYTSQN-WDNDVIMCSA-N 1 3 248.374 1.073 20 0 BDADHO Cc1cnccc1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931441577 640205602 /nfs/dbraw/zinc/20/56/02/640205602.db2.gz KOFYLMFSWPZFEA-CABCVRRESA-N 1 3 245.370 1.774 20 0 BDADHO Cc1cnccc1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931441577 640205603 /nfs/dbraw/zinc/20/56/03/640205603.db2.gz KOFYLMFSWPZFEA-CABCVRRESA-N 1 3 245.370 1.774 20 0 BDADHO C[C@H]1CC[N@H+](CC[C@@H]2CCCCN2C)CCO1 ZINC000932348973 640489725 /nfs/dbraw/zinc/48/97/25/640489725.db2.gz CWLZMKAEWZITGZ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)CCO1 ZINC000932348973 640489728 /nfs/dbraw/zinc/48/97/28/640489728.db2.gz CWLZMKAEWZITGZ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO Cc1nc(CCN[C@@H]2CCC[NH2+]CC2)cs1 ZINC000226313432 640745747 /nfs/dbraw/zinc/74/57/47/640745747.db2.gz GTGQABQOGKMMLP-LLVKDONJSA-N 1 3 239.388 1.726 20 0 BDADHO CC[C@@H](CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933734477 640757359 /nfs/dbraw/zinc/75/73/59/640757359.db2.gz TZTNIYBNPTYWQI-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO CC[C@@H](CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933734477 640757362 /nfs/dbraw/zinc/75/73/62/640757362.db2.gz TZTNIYBNPTYWQI-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2cnn(C)c2)C1 ZINC000226422547 640762819 /nfs/dbraw/zinc/76/28/19/640762819.db2.gz LKLUOWMHUZADJF-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CN(C[C@@H](O)CC2CCCC2)CC[C@@H]1[NH3+] ZINC000232121860 641242357 /nfs/dbraw/zinc/24/23/57/641242357.db2.gz PPNUBXAHVAWBPK-XBFCOCLRSA-N 1 3 240.391 1.597 20 0 BDADHO CN(CCC[NH3+])C[C@H](O)CC1CCCC1 ZINC000232148807 641249558 /nfs/dbraw/zinc/24/95/58/641249558.db2.gz NFNUGZYOSVYTMP-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000156741656 641610256 /nfs/dbraw/zinc/61/02/56/641610256.db2.gz CVKCXMJDZZCYSN-NEPJUHHUSA-N 1 3 226.364 1.256 20 0 BDADHO C[C@@H]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925472160 642391940 /nfs/dbraw/zinc/39/19/40/642391940.db2.gz AWBHLRUIHTXBOU-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCNCC2)C1(C)C ZINC000233782127 642694997 /nfs/dbraw/zinc/69/49/97/642694997.db2.gz DCYAHDZGSJRFIQ-VXGBXAGGSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915235 642711493 /nfs/dbraw/zinc/71/14/93/642711493.db2.gz FUSYZYKRNSWOFM-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCN(CC[NH2+]C(C)(C)C)CC1(C)C ZINC000082478059 643319188 /nfs/dbraw/zinc/31/91/88/643319188.db2.gz QJQDQOJJTPQRNI-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)C(C)(C)C1 ZINC000082485464 643320968 /nfs/dbraw/zinc/32/09/68/643320968.db2.gz XVIXYQYWJITSHT-GFCCVEGCSA-N 1 3 227.396 1.386 20 0 BDADHO CN(CCC[NH2+]C1CC1)C[C@@H]1CCCOC1 ZINC000082544462 643340167 /nfs/dbraw/zinc/34/01/67/643340167.db2.gz QBDFFJORBSMJFT-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+](CCCNC1CC1)C[C@@H]1CCCOC1 ZINC000082544462 643340170 /nfs/dbraw/zinc/34/01/70/643340170.db2.gz QBDFFJORBSMJFT-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CCCNC1CC1)C[C@@H]1CCCOC1 ZINC000082544462 643340173 /nfs/dbraw/zinc/34/01/73/643340173.db2.gz QBDFFJORBSMJFT-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1nccs1 ZINC000085016153 643524226 /nfs/dbraw/zinc/52/42/26/643524226.db2.gz JDVYBYDDFMSCQG-AEJSXWLSSA-N 1 3 225.361 1.921 20 0 BDADHO CCc1ncc(CN2CCC([C@@H](C)[NH3+])CC2)o1 ZINC000923284291 644309605 /nfs/dbraw/zinc/30/96/05/644309605.db2.gz LFAKDTKCGKRKAV-SNVBAGLBSA-N 1 3 237.347 1.796 20 0 BDADHO CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000923279389 644311677 /nfs/dbraw/zinc/31/16/77/644311677.db2.gz NDDUJZBGXANQKP-MELADBBJSA-N 1 3 242.407 1.985 20 0 BDADHO CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000923279389 644311684 /nfs/dbraw/zinc/31/16/84/644311684.db2.gz NDDUJZBGXANQKP-MELADBBJSA-N 1 3 242.407 1.985 20 0 BDADHO NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923279784 644312241 /nfs/dbraw/zinc/31/22/41/644312241.db2.gz CXZVYNCKVAJHDD-GJZGRUSLSA-N 1 3 248.370 1.403 20 0 BDADHO NC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000923279784 644312244 /nfs/dbraw/zinc/31/22/44/644312244.db2.gz CXZVYNCKVAJHDD-GJZGRUSLSA-N 1 3 248.370 1.403 20 0 BDADHO C[C@@H]1CN(C[C@H](O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000923291429 644318015 /nfs/dbraw/zinc/31/80/15/644318015.db2.gz SGYSPEZMXQWBAF-BPLDGKMQSA-N 1 3 248.370 1.259 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923287385 644321315 /nfs/dbraw/zinc/32/13/15/644321315.db2.gz DROOUVPBZRZJJV-AGIUHOORSA-N 1 3 228.380 1.453 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923289792 644322284 /nfs/dbraw/zinc/32/22/84/644322284.db2.gz LZJFASCAHNUPAJ-MELADBBJSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@H](C[NH2+]C)C1 ZINC000923288748 644323395 /nfs/dbraw/zinc/32/33/95/644323395.db2.gz CEFJUKNVQGSCEX-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CCCCOC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923296532 644335192 /nfs/dbraw/zinc/33/51/92/644335192.db2.gz UTQGKODEXWXLLO-STQMWFEESA-N 1 3 246.395 1.127 20 0 BDADHO CCN(Cc1ccccc1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923303017 644339700 /nfs/dbraw/zinc/33/97/00/644339700.db2.gz GZRROOLLADFSMO-KKUMJFAQSA-N 1 3 248.370 1.668 20 0 BDADHO CC(C)(C)C[N@H+](CCCO)CCCNC1CC1 ZINC000923311818 644347570 /nfs/dbraw/zinc/34/75/70/644347570.db2.gz YBISSNBTIULUBU-UHFFFAOYSA-N 1 3 242.407 1.859 20 0 BDADHO CC(C)(C)C[N@@H+](CCCO)CCCNC1CC1 ZINC000923311818 644347575 /nfs/dbraw/zinc/34/75/75/644347575.db2.gz YBISSNBTIULUBU-UHFFFAOYSA-N 1 3 242.407 1.859 20 0 BDADHO CC(C)(C)CN(CCCO)CCC[NH2+]C1CC1 ZINC000923311818 644347578 /nfs/dbraw/zinc/34/75/78/644347578.db2.gz YBISSNBTIULUBU-UHFFFAOYSA-N 1 3 242.407 1.859 20 0 BDADHO Cc1ccc([C@H](O)CN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000923330773 644348779 /nfs/dbraw/zinc/34/87/79/644348779.db2.gz IOCNDTFWJVXEMD-AEGPPILISA-N 1 3 248.370 1.698 20 0 BDADHO C[C@@H](NC(CN)C[NH3+])c1ccc2ccccc2c1 ZINC000923351388 644366551 /nfs/dbraw/zinc/36/65/51/644366551.db2.gz KLCLRVUWVQJENE-LLVKDONJSA-N 1 3 243.354 1.776 20 0 BDADHO CCSc1ccccc1CNC(CN)C[NH3+] ZINC000923357246 644376159 /nfs/dbraw/zinc/37/61/59/644376159.db2.gz VJOYYVBZTFMTRS-UHFFFAOYSA-N 1 3 239.388 1.174 20 0 BDADHO CCCCCC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](N)C1 ZINC000923366202 644377887 /nfs/dbraw/zinc/37/78/87/644377887.db2.gz KXQXNEFRXHFIFV-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](N)C1 ZINC000923366202 644377891 /nfs/dbraw/zinc/37/78/91/644377891.db2.gz KXQXNEFRXHFIFV-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)CC[C@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923368345 644381467 /nfs/dbraw/zinc/38/14/67/644381467.db2.gz AWJKUZHNOYPQIG-QWHCGFSZSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)CC[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923368345 644381472 /nfs/dbraw/zinc/38/14/72/644381472.db2.gz AWJKUZHNOYPQIG-QWHCGFSZSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1CN(CCC[NH2+]C2CC2)[C@@H](C)CN1C ZINC000923370157 644382317 /nfs/dbraw/zinc/38/23/17/644382317.db2.gz DDXCQLFFDCPWIV-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](NC[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376453 644392615 /nfs/dbraw/zinc/39/26/15/644392615.db2.gz AXEVGETUNHYUTL-RYUDHWBXSA-N 1 3 247.342 1.111 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000923384245 644396463 /nfs/dbraw/zinc/39/64/63/644396463.db2.gz VIPNVLIBEFZNLE-MGPQQGTHSA-N 1 3 234.343 1.580 20 0 BDADHO FC1(F)CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923402359 644407505 /nfs/dbraw/zinc/40/75/05/644407505.db2.gz FKOJVUMKHJHJOD-SNVBAGLBSA-N 1 3 246.301 1.096 20 0 BDADHO CC(C)CC[C@@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000923412207 644413427 /nfs/dbraw/zinc/41/34/27/644413427.db2.gz PZJAPHYWROQKOE-ZIAGYGMSSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)CC[C@@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000923412207 644413430 /nfs/dbraw/zinc/41/34/30/644413430.db2.gz PZJAPHYWROQKOE-ZIAGYGMSSA-N 1 3 242.407 1.987 20 0 BDADHO Cc1cnc([C@H](C)N2CC[C@H](CC[NH3+])C2)o1 ZINC000923482233 644460517 /nfs/dbraw/zinc/46/05/17/644460517.db2.gz XVWXWEGMZCIVTJ-QWRGUYRKSA-N 1 3 223.320 1.715 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093213268 644681571 /nfs/dbraw/zinc/68/15/71/644681571.db2.gz OLFCCVGRNYYJCG-GVXVVHGQSA-N 1 3 248.374 1.657 20 0 BDADHO OC[C@@]12C[C@@H]1C[N@H+](CCCN1CCCCC1)C2 ZINC000782602298 644742654 /nfs/dbraw/zinc/74/26/54/644742654.db2.gz BOYOWEAKERUAFF-KGLIPLIRSA-N 1 3 238.375 1.177 20 0 BDADHO OC[C@@]12C[C@@H]1C[N@@H+](CCCN1CCCCC1)C2 ZINC000782602298 644742659 /nfs/dbraw/zinc/74/26/59/644742659.db2.gz BOYOWEAKERUAFF-KGLIPLIRSA-N 1 3 238.375 1.177 20 0 BDADHO CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250386764 644757039 /nfs/dbraw/zinc/75/70/39/644757039.db2.gz KQPRSWXKQFCHCR-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CN(CCc2cccs2)CC[C@H]1[NH3+] ZINC000251891184 644830197 /nfs/dbraw/zinc/83/01/97/644830197.db2.gz VPECSFKSULBOID-ZYHUDNBSSA-N 1 3 224.373 1.960 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(CO)CC1 ZINC000926534688 645260361 /nfs/dbraw/zinc/26/03/61/645260361.db2.gz HDMUYJPQGLJYGO-FUNVUKJBSA-N 1 3 238.375 1.079 20 0 BDADHO C/C=C/CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926771099 645416575 /nfs/dbraw/zinc/41/65/75/645416575.db2.gz YVTCGJGKYCVXCC-RXVMTUIBSA-N 1 3 238.375 1.794 20 0 BDADHO C/C=C/CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926771099 645416578 /nfs/dbraw/zinc/41/65/78/645416578.db2.gz YVTCGJGKYCVXCC-RXVMTUIBSA-N 1 3 238.375 1.794 20 0 BDADHO CN1CC[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487226 645463858 /nfs/dbraw/zinc/46/38/58/645463858.db2.gz LYJLVFDMTFCKSB-FVCCEPFGSA-N 1 3 237.391 1.057 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCN[C@H]1C ZINC000925482925 645909456 /nfs/dbraw/zinc/90/94/56/645909456.db2.gz OWYPPQFXHQHKFM-NWANDNLSSA-N 1 3 248.370 1.759 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924618380 646078928 /nfs/dbraw/zinc/07/89/28/646078928.db2.gz ZAUFOGGWBJAGIW-LBPRGKRZSA-N 1 3 230.396 1.713 20 0 BDADHO CC(C)N(C)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924616681 646079236 /nfs/dbraw/zinc/07/92/36/646079236.db2.gz FMJDBTJEFXCBFB-CHWSQXEVSA-N 1 3 242.407 1.977 20 0 BDADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697318 646091327 /nfs/dbraw/zinc/09/13/27/646091327.db2.gz KTERKOAZRBAXJX-AVGNSLFASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)CO ZINC000924697318 646091335 /nfs/dbraw/zinc/09/13/35/646091335.db2.gz KTERKOAZRBAXJX-AVGNSLFASA-N 1 3 240.391 1.610 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925480393 646292595 /nfs/dbraw/zinc/29/25/95/646292595.db2.gz JZLGNGVJLRKDCG-NDBYEHHHSA-N 1 3 240.391 1.635 20 0 BDADHO C1CC1[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925492830 646300187 /nfs/dbraw/zinc/30/01/87/646300187.db2.gz IIYQQHLOCHWNMW-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)C(C)(C)C ZINC000925525929 646317535 /nfs/dbraw/zinc/31/75/35/646317535.db2.gz GIMULOBUXAJPQA-IJLUTSLNSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525929 646317540 /nfs/dbraw/zinc/31/75/40/646317540.db2.gz GIMULOBUXAJPQA-IJLUTSLNSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)C(C)(C)C ZINC000925525927 646318257 /nfs/dbraw/zinc/31/82/57/646318257.db2.gz GIMULOBUXAJPQA-GRYCIOLGSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525927 646318265 /nfs/dbraw/zinc/31/82/65/646318265.db2.gz GIMULOBUXAJPQA-GRYCIOLGSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)[C@@H](N[C@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549502 646326104 /nfs/dbraw/zinc/32/61/04/646326104.db2.gz LTVYYYCUOUSREG-RNJOBUHISA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1CCCCN1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925550453 646329617 /nfs/dbraw/zinc/32/96/17/646329617.db2.gz MPVBHHYCGLSLAZ-OLZOCXBDSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)[C@H]1CCCO1 ZINC000925626287 646372106 /nfs/dbraw/zinc/37/21/06/646372106.db2.gz PJBJDEDSXMOKRK-UMSGYPCISA-N 1 3 238.375 1.804 20 0 BDADHO OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000925644539 646384200 /nfs/dbraw/zinc/38/42/00/646384200.db2.gz NELWLBQSPXEDCP-AVGNSLFASA-N 1 3 238.375 1.412 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925645209 646386560 /nfs/dbraw/zinc/38/65/60/646386560.db2.gz OSFXFJSYYKNPEP-KWCYVHTRSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925645209 646386561 /nfs/dbraw/zinc/38/65/61/646386561.db2.gz OSFXFJSYYKNPEP-KWCYVHTRSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCCOC1)[NH2+]2 ZINC000925667706 646397667 /nfs/dbraw/zinc/39/76/67/646397667.db2.gz DYCPQVFOXOROTN-NWBUJAPZSA-N 1 3 224.348 1.284 20 0 BDADHO CC[C@@H](CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925675529 646404972 /nfs/dbraw/zinc/40/49/72/646404972.db2.gz JAPJKLGZXNKPHJ-QNWHQSFQSA-N 1 3 240.391 1.778 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@H]2CCCOC2)C12CCC2 ZINC000925675092 646405760 /nfs/dbraw/zinc/40/57/60/646405760.db2.gz UWHFAFOSQSTVLJ-DCAQKATOSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000925675092 646405761 /nfs/dbraw/zinc/40/57/61/646405761.db2.gz UWHFAFOSQSTVLJ-DCAQKATOSA-N 1 3 210.321 1.025 20 0 BDADHO C[C@@H](CCCO)C[NH2+][C@H]1CCNC12CCC2 ZINC000925680768 646408988 /nfs/dbraw/zinc/40/89/88/646408988.db2.gz UBKHLSICSHWPIN-RYUDHWBXSA-N 1 3 226.364 1.269 20 0 BDADHO C[NH2+]CCN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925696261 646421463 /nfs/dbraw/zinc/42/14/63/646421463.db2.gz YOSPAKIXJPLEBT-IJLUTSLNSA-N 1 3 212.337 1.001 20 0 BDADHO CCCN1CC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925708245 646432393 /nfs/dbraw/zinc/43/23/93/646432393.db2.gz REBWWOABXNGTOX-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925712092 646436318 /nfs/dbraw/zinc/43/63/18/646436318.db2.gz OSFXFJSYYKNPEP-FPMFFAJLSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](C)C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925712092 646436322 /nfs/dbraw/zinc/43/63/22/646436322.db2.gz OSFXFJSYYKNPEP-FPMFFAJLSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713477 646439454 /nfs/dbraw/zinc/43/94/54/646439454.db2.gz UBDFJPNXWQSJNQ-DKYFYASOSA-N 1 3 236.359 1.425 20 0 BDADHO Nc1ccnc(CN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000925767149 646469240 /nfs/dbraw/zinc/46/92/40/646469240.db2.gz NIPFPNCFOQFCHA-OLZOCXBDSA-N 1 3 234.347 1.413 20 0 BDADHO C[C@@H](NC[C@@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772738 646472913 /nfs/dbraw/zinc/47/29/13/646472913.db2.gz JOTHSMFAQAFQSI-PWSUYJOCSA-N 1 3 224.348 1.143 20 0 BDADHO CCOC[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840899 646506036 /nfs/dbraw/zinc/50/60/36/646506036.db2.gz DELKGVBNRGFOGD-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](COC)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844513 646508095 /nfs/dbraw/zinc/50/80/95/646508095.db2.gz TVUDPFYKFVMDEA-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1COC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000926337986 646618334 /nfs/dbraw/zinc/61/83/34/646618334.db2.gz UUPKGQZVAVAIHC-BLYZHGLHSA-N 1 3 238.375 1.628 20 0 BDADHO COC[C@H](CN1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000721909651 711814594 /nfs/dbraw/zinc/81/45/94/711814594.db2.gz AZZFHHYXGUPTRB-GRYCIOLGSA-N 1 3 214.353 1.184 20 0 BDADHO COC1(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCCC1 ZINC000702123429 712039469 /nfs/dbraw/zinc/03/94/69/712039469.db2.gz CLUQXVSPPZSNJD-QWHCGFSZSA-N 1 3 238.375 1.487 20 0 BDADHO CC[C@@H]1C[N@H+](CC2CC(OC)C2)CC[C@@H]1N ZINC000703909240 712093762 /nfs/dbraw/zinc/09/37/62/712093762.db2.gz YLSAMDBBCMMBOZ-KPFVRQRISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[N@@H+](CC2CC(OC)C2)CC[C@@H]1N ZINC000703909240 712093763 /nfs/dbraw/zinc/09/37/63/712093763.db2.gz YLSAMDBBCMMBOZ-KPFVRQRISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(CC2CC(OC)C2)CC[C@@H]1[NH3+] ZINC000703909240 712093764 /nfs/dbraw/zinc/09/37/64/712093764.db2.gz YLSAMDBBCMMBOZ-KPFVRQRISA-N 1 3 226.364 1.471 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704813535 712118526 /nfs/dbraw/zinc/11/85/26/712118526.db2.gz IIEMOSUYGYBFKN-GRYCIOLGSA-N 1 3 228.405 1.847 20 0 BDADHO C[NH+]1C[C@]2(C)CN(C[C@@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664256 712135217 /nfs/dbraw/zinc/13/52/17/712135217.db2.gz YCMBUBVWHXPBQL-MGPQQGTHSA-N 1 3 238.375 1.031 20 0 BDADHO CC1(C)C[C@H](CN2CC[C@@H]([NH3+])C2)C(C)(C)O1 ZINC000709689612 712215216 /nfs/dbraw/zinc/21/52/16/712215216.db2.gz WNDXHNYZUWLRLL-GHMZBOCLSA-N 1 3 226.364 1.613 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1COC[C@@H]1C ZINC000710852594 712259560 /nfs/dbraw/zinc/25/95/60/712259560.db2.gz MCSOUBSSCNXZGD-CRWXNKLISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](CF)C1 ZINC000711454812 712303808 /nfs/dbraw/zinc/30/38/08/712303808.db2.gz NJRQTCAVEXUZRC-UTUOFQBUSA-N 1 3 214.328 1.523 20 0 BDADHO C[C@@]1(CN2CCC[C@H](CF)C2)CC[NH2+]C1 ZINC000711454825 712304000 /nfs/dbraw/zinc/30/40/00/712304000.db2.gz NKDZCOTZKJSTFP-VXGBXAGGSA-N 1 3 214.328 1.668 20 0 BDADHO CCN1CC[C@@H]1C[NH2+]C1CCN(C(C)C)CC1 ZINC000712584458 712434025 /nfs/dbraw/zinc/43/40/25/712434025.db2.gz BCGNNZYUPSELFF-CQSZACIVSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H]1CC[C@H](C[N@@H+]2CCNCCC2(C)C)O1 ZINC000712555628 712445095 /nfs/dbraw/zinc/44/50/95/712445095.db2.gz WYYIDXXHOAEZSP-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]1CC[C@H](C[N@H+]2CCNCCC2(C)C)O1 ZINC000712555628 712445097 /nfs/dbraw/zinc/44/50/97/712445097.db2.gz WYYIDXXHOAEZSP-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CC1(C)CO[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000717612271 712662327 /nfs/dbraw/zinc/66/23/27/712662327.db2.gz DSGYBBQMGLIHCJ-SDDRHHMPSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)CO[C@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)C1 ZINC000717612271 712662328 /nfs/dbraw/zinc/66/23/28/712662328.db2.gz DSGYBBQMGLIHCJ-SDDRHHMPSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1CN(CCc2ccns2)C[C@H]1C[NH3+] ZINC000719872993 712824646 /nfs/dbraw/zinc/82/46/46/712824646.db2.gz ONUJMEFTHBMYNM-NXEZZACHSA-N 1 3 225.361 1.212 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN(c3ccncc3CO)C2)C1 ZINC000386612892 711034130 /nfs/dbraw/zinc/03/41/30/711034130.db2.gz MUZKWXGMQMSWNQ-AWEZNQCLSA-N 1 3 247.342 1.106 20 0 BDADHO C[N@H+]1CC[C@]2(CCN(c3ccncc3CO)C2)C1 ZINC000386612892 711034134 /nfs/dbraw/zinc/03/41/34/711034134.db2.gz MUZKWXGMQMSWNQ-AWEZNQCLSA-N 1 3 247.342 1.106 20 0 BDADHO CCN(C[C@@H](O)C[N@H+](C)C(C)C)C(C)C ZINC000389600488 711082666 /nfs/dbraw/zinc/08/26/66/711082666.db2.gz UFOXCOKFSIUXOM-LBPRGKRZSA-N 1 3 216.369 1.418 20 0 BDADHO CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C ZINC000389600488 711082669 /nfs/dbraw/zinc/08/26/69/711082669.db2.gz UFOXCOKFSIUXOM-LBPRGKRZSA-N 1 3 216.369 1.418 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000389630401 711083624 /nfs/dbraw/zinc/08/36/24/711083624.db2.gz LZWCANVUMKNPJG-TUAOUCFPSA-N 1 3 228.405 1.669 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1ncc(Cl)n1C ZINC000393271126 711156603 /nfs/dbraw/zinc/15/66/03/711156603.db2.gz AEYONXSLYZRFIA-VIFPVBQESA-N 1 3 244.770 1.681 20 0 BDADHO COCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000396585936 711357947 /nfs/dbraw/zinc/35/79/47/711357947.db2.gz HPCOPAKRDDQHLJ-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000398595533 711413062 /nfs/dbraw/zinc/41/30/62/711413062.db2.gz BTHYXWXNUIWWHG-YFKTTZPYSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@H]2CCCOC2)C[NH2+]1 ZINC000398989356 711416977 /nfs/dbraw/zinc/41/69/77/711416977.db2.gz JLSJACCNWDOZPL-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCCOC2)C[NH2+]1 ZINC000398989354 711417500 /nfs/dbraw/zinc/41/75/00/711417500.db2.gz JLSJACCNWDOZPL-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](CC[NH+](C)C)NCc1cc[nH]c(=O)c1 ZINC000380979017 710596324 /nfs/dbraw/zinc/59/63/24/710596324.db2.gz HXIQPEJSBUIDRA-SNVBAGLBSA-N 1 3 223.320 1.217 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000381431303 710636766 /nfs/dbraw/zinc/63/67/66/710636766.db2.gz BPEDKULMRUURPF-QWHCGFSZSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+]1CCC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000392655237 711149729 /nfs/dbraw/zinc/14/97/29/711149729.db2.gz XGHUUMZBSJIMEE-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO C[N@H+]1CCC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000392655237 711149733 /nfs/dbraw/zinc/14/97/33/711149733.db2.gz XGHUUMZBSJIMEE-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCC(C)(C)CO ZINC000396699228 711365111 /nfs/dbraw/zinc/36/51/11/711365111.db2.gz KNZPIGFDCLPZOV-QWRGUYRKSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CN(Cc2nccs2)C[C@H]1CC[NH3+] ZINC000723910898 711544943 /nfs/dbraw/zinc/54/49/43/711544943.db2.gz YOCHWOJISRMJIQ-NXEZZACHSA-N 1 3 225.361 1.560 20 0 BDADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000723957065 711547524 /nfs/dbraw/zinc/54/75/24/711547524.db2.gz SYOZPSRLIDWIKG-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325349 711737434 /nfs/dbraw/zinc/73/74/34/711737434.db2.gz PPAAEPCRZLBFCZ-TVYUQYBPSA-N 1 3 224.348 1.142 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H](COC)C(C)C)CC[C@@H]1N ZINC000721913811 711918172 /nfs/dbraw/zinc/91/81/72/711918172.db2.gz QDNNNIHELPZHOJ-MCIONIFRSA-N 1 3 242.407 1.964 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H](COC)C(C)C)CC[C@@H]1N ZINC000721913811 711918173 /nfs/dbraw/zinc/91/81/73/711918173.db2.gz QDNNNIHELPZHOJ-MCIONIFRSA-N 1 3 242.407 1.964 20 0 BDADHO COC[C@@H](C)C[NH2+]CC[C@H](C)N(C)C ZINC000700489456 711994217 /nfs/dbraw/zinc/99/42/17/711994217.db2.gz RMWISZVAAXLOPZ-QWRGUYRKSA-N 1 3 202.342 1.199 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCO[C@H](CCF)C2)C1 ZINC000700555850 711997111 /nfs/dbraw/zinc/99/71/11/711997111.db2.gz IUEUVKUPWGNCJS-QJPTWQEYSA-N 1 3 230.327 1.174 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCC1(F)CCC1 ZINC000702520665 712054346 /nfs/dbraw/zinc/05/43/46/712054346.db2.gz NWWFLSXQSOMYDY-MNOVXSKESA-N 1 3 214.328 1.999 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1SCCS1 ZINC000703396004 712075046 /nfs/dbraw/zinc/07/50/46/712075046.db2.gz IUHSLBVWXPFRPA-VHSXEESVSA-N 1 3 246.445 1.900 20 0 BDADHO COC1CC(C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)C1 ZINC000703870375 712091800 /nfs/dbraw/zinc/09/18/00/712091800.db2.gz DVWSGUXTMKOSGO-YCQMLSDISA-N 1 3 240.391 1.717 20 0 BDADHO COC1CC(C[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)C1 ZINC000703870375 712091803 /nfs/dbraw/zinc/09/18/03/712091803.db2.gz DVWSGUXTMKOSGO-YCQMLSDISA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708348311 712189783 /nfs/dbraw/zinc/18/97/83/712189783.db2.gz MLFOAIQXHICKMT-UPJWGTAASA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC1(C)C)[NH2+]2 ZINC000709384122 712220517 /nfs/dbraw/zinc/22/05/17/712220517.db2.gz HFLDCHKWMAUOHK-ROHXPCBUSA-N 1 3 208.349 1.904 20 0 BDADHO CC1(C)[C@H](NC[C@H]2CCC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000711251112 712290645 /nfs/dbraw/zinc/29/06/45/712290645.db2.gz PRMLBXQXDRAWIM-GRYCIOLGSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)[C@H]([NH2+]C[C@H]2CCC(C)(C)CO2)C[C@@H]1N ZINC000711251112 712290646 /nfs/dbraw/zinc/29/06/46/712290646.db2.gz PRMLBXQXDRAWIM-GRYCIOLGSA-N 1 3 240.391 1.907 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](NCc2cc[nH]c(=O)c2)C1 ZINC000715217474 712513869 /nfs/dbraw/zinc/51/38/69/712513869.db2.gz HXTIMBWDOPAQKC-QWHCGFSZSA-N 1 3 249.358 1.750 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH3+] ZINC000715391229 712522178 /nfs/dbraw/zinc/52/21/78/712522178.db2.gz DKCRZJWMJRFSFD-RUZUBIRVSA-N 1 3 238.375 1.471 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715493417 712523521 /nfs/dbraw/zinc/52/35/21/712523521.db2.gz BYFRHEVXVUFTFA-MELADBBJSA-N 1 3 238.375 1.615 20 0 BDADHO Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(N)n1 ZINC000715570010 712529371 /nfs/dbraw/zinc/52/93/71/712529371.db2.gz JMFVPPFNGVIBMO-WDEREUQCSA-N 1 3 249.362 1.652 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715750837 712531361 /nfs/dbraw/zinc/53/13/61/712531361.db2.gz BWQYMJDCZJWGKX-QJPTWQEYSA-N 1 3 228.405 1.989 20 0 BDADHO C1=CCC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000717355926 712650468 /nfs/dbraw/zinc/65/04/68/712650468.db2.gz KMHFPGSXWMWZLR-YHQUGGNUSA-N 1 3 218.344 1.539 20 0 BDADHO CC1(C)CO[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000717601024 712662176 /nfs/dbraw/zinc/66/21/76/712662176.db2.gz PIAGCUFOJBJYLX-ZGVCCVRISA-N 1 3 238.375 1.674 20 0 BDADHO COCC(C)(C)CC[NH2+][C@H](C)C1CNC1 ZINC000718741388 712779990 /nfs/dbraw/zinc/77/99/90/712779990.db2.gz OUOBIMOQKTXQHM-SNVBAGLBSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@H]1CN(c2cc(N)cc[nH+]2)[C@@H](C)CN1C ZINC001164632159 719149018 /nfs/dbraw/zinc/14/90/18/719149018.db2.gz PXFBQEHTOSRWBC-UWVGGRQHSA-N 1 3 220.320 1.193 20 0 BDADHO CCC[NH+]1C[C@H]2CN(CCCCOC)C[C@@H]2C1 ZINC001209219032 957366275 /nfs/dbraw/zinc/36/62/75/957366275.db2.gz AFFIGWISBVJZST-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN1C[C@H]2C[NH+](CCCCOC)C[C@@H]2C1 ZINC001209219032 957366287 /nfs/dbraw/zinc/36/62/87/957366287.db2.gz AFFIGWISBVJZST-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693703806 959206275 /nfs/dbraw/zinc/20/62/75/959206275.db2.gz JZLGNGVJLRKDCG-FVCCEPFGSA-N 1 3 240.391 1.635 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CO)CC2)CCN1 ZINC000709467565 960611764 /nfs/dbraw/zinc/61/17/64/960611764.db2.gz UOZFVKAPBBTGBR-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO CN1CC[C@]2(CC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755947 961303071 /nfs/dbraw/zinc/30/30/71/961303071.db2.gz IYUHNZQBTLIGOO-ZDUSSCGKSA-N 1 3 219.332 1.542 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755947 961303080 /nfs/dbraw/zinc/30/30/80/961303080.db2.gz IYUHNZQBTLIGOO-ZDUSSCGKSA-N 1 3 219.332 1.542 20 0 BDADHO CCCN(CCC)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160858520 964423497 /nfs/dbraw/zinc/42/34/97/964423497.db2.gz HKJLQNFPVHVLAO-NSHDSACASA-N 1 3 229.368 1.091 20 0 BDADHO CC1(C[NH3+])CN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206710944 966185721 /nfs/dbraw/zinc/18/57/21/966185721.db2.gz BJJXCCZGGAXSHN-TUAOUCFPSA-N 1 3 206.333 1.479 20 0 BDADHO CC1(CN)C[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206710944 966185731 /nfs/dbraw/zinc/18/57/31/966185731.db2.gz BJJXCCZGGAXSHN-TUAOUCFPSA-N 1 3 206.333 1.479 20 0 BDADHO C[C@@H](CC[N@@H+]1C[C@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206511842 968345000 /nfs/dbraw/zinc/34/50/00/968345000.db2.gz DKNSNPCGUNRRFR-AVGNSLFASA-N 1 3 242.407 1.700 20 0 BDADHO C[C@@H](CC[N@H+]1C[C@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206511842 968345009 /nfs/dbraw/zinc/34/50/09/968345009.db2.gz DKNSNPCGUNRRFR-AVGNSLFASA-N 1 3 242.407 1.700 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1CC(C)(C)C[NH+](C)C ZINC001207280318 968710146 /nfs/dbraw/zinc/71/01/46/968710146.db2.gz VACSWTWRNONNQW-QWHCGFSZSA-N 1 3 241.423 1.599 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCCC[C@H](O)C1 ZINC001207275023 968708296 /nfs/dbraw/zinc/70/82/96/968708296.db2.gz INJVVAQHHDXZEQ-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO C[NH+]1CCC2(CN(C[C@@H]3CCCO3)C2)CC1 ZINC001207887225 968913394 /nfs/dbraw/zinc/91/33/94/968913394.db2.gz FFISUQRGJXGTKM-LBPRGKRZSA-N 1 3 224.348 1.193 20 0 BDADHO CCC[C@H](O)CNCCC[NH+](CC)CC ZINC001252772276 968941492 /nfs/dbraw/zinc/94/14/92/968941492.db2.gz YLYUWMWPINXIAJ-LBPRGKRZSA-N 1 3 216.369 1.469 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[C@H]1C[C@H](F)C1 ZINC001253405147 969158232 /nfs/dbraw/zinc/15/82/32/969158232.db2.gz QEUQSLUFRPPQOB-DCAQKATOSA-N 1 3 232.343 1.073 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC[C@H]1C[C@H](F)C1 ZINC001253405147 969158235 /nfs/dbraw/zinc/15/82/35/969158235.db2.gz QEUQSLUFRPPQOB-DCAQKATOSA-N 1 3 232.343 1.073 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C(C)(C)C1CC1 ZINC001253404899 969160448 /nfs/dbraw/zinc/16/04/48/969160448.db2.gz BTTVMDOAYJRNIG-LLVKDONJSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@@H]1COCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607909 969161218 /nfs/dbraw/zinc/16/12/18/969161218.db2.gz NUXNRRMEFDHZDV-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@@H]1COCCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607909 969161225 /nfs/dbraw/zinc/16/12/25/969161225.db2.gz NUXNRRMEFDHZDV-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO CC(C)[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001253777935 969400159 /nfs/dbraw/zinc/40/01/59/969400159.db2.gz XJAQGKXYIRSSQG-CQSZACIVSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)[C@H](O)CNCCC[NH+]1CCC(C)CC1 ZINC001253777935 969400163 /nfs/dbraw/zinc/40/01/63/969400163.db2.gz XJAQGKXYIRSSQG-CQSZACIVSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@H]1COCC[N@@H+]1[C@H]1CCCN(C)CC1 ZINC001254526984 969720339 /nfs/dbraw/zinc/72/03/39/969720339.db2.gz VDGGNYCLYYDDQZ-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CC[C@@H]1COCC[N@H+]1[C@H]1CCCN(C)CC1 ZINC001254526984 969720344 /nfs/dbraw/zinc/72/03/44/969720344.db2.gz VDGGNYCLYYDDQZ-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCCCC(=O)OC ZINC001255940778 970568513 /nfs/dbraw/zinc/56/85/13/970568513.db2.gz GKAAJSOSOMAJRY-GFCCVEGCSA-N 1 3 244.379 1.650 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCCC(=O)OC ZINC001255940778 970568519 /nfs/dbraw/zinc/56/85/19/970568519.db2.gz GKAAJSOSOMAJRY-GFCCVEGCSA-N 1 3 244.379 1.650 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1C[C@@](C)(O)C1 ZINC001255945353 970575791 /nfs/dbraw/zinc/57/57/91/970575791.db2.gz KLVFQKYWOUOZIF-UPJWGTAASA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H](O)CF ZINC001255954172 970589061 /nfs/dbraw/zinc/58/90/61/970589061.db2.gz ASLRQKVGPRGEBJ-GHMZBOCLSA-N 1 3 220.332 1.027 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H](C)CC(=O)OC ZINC001255953182 970591379 /nfs/dbraw/zinc/59/13/79/970591379.db2.gz YJZBZEHDIZJXLD-NWDGAFQWSA-N 1 3 244.379 1.648 20 0 BDADHO CN1CC[C@@H]([N@H+](C)C2CCN(C3CC3)CC2)C1 ZINC001256078892 970651525 /nfs/dbraw/zinc/65/15/25/970651525.db2.gz DNRWIWONQVVAOG-CQSZACIVSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CC[C@@H]([N@@H+](C)C2CCN(C3CC3)CC2)C1 ZINC001256078892 970651536 /nfs/dbraw/zinc/65/15/36/970651536.db2.gz DNRWIWONQVVAOG-CQSZACIVSA-N 1 3 237.391 1.249 20 0 BDADHO CCCOC1CCC([NH2+]C2CC(N)C2)CC1 ZINC001173094019 975018516 /nfs/dbraw/zinc/01/85/16/975018516.db2.gz FTRILDUIDMAXOJ-UHFFFAOYSA-N 1 3 226.364 1.804 20 0 BDADHO CCSC[C@@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001173301855 975202506 /nfs/dbraw/zinc/20/25/06/975202506.db2.gz LZIHFOZSCGHTNU-KXUCPTDWSA-N 1 3 202.367 1.597 20 0 BDADHO CC1(C)C[C@H](CN2C[C@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001235977321 979241001 /nfs/dbraw/zinc/24/10/01/979241001.db2.gz GNBDFIITDLRFLJ-BZPMIXESSA-N 1 3 238.375 1.615 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@H+](C[C@H](C)N)C[C@@H]1C ZINC001237114647 979817840 /nfs/dbraw/zinc/81/78/40/979817840.db2.gz LMMRFVHBHLQUFP-SRVKXCTJSA-N 1 3 242.363 1.245 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@@H+](C[C@H](C)N)C[C@@H]1C ZINC001237114647 979817846 /nfs/dbraw/zinc/81/78/46/979817846.db2.gz LMMRFVHBHLQUFP-SRVKXCTJSA-N 1 3 242.363 1.245 20 0 BDADHO CCCC[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC001252107152 983671863 /nfs/dbraw/zinc/67/18/63/983671863.db2.gz FUCLJJBCIQBNFA-AWEZNQCLSA-N 1 3 242.407 2.000 20 0 BDADHO CC(C)OCC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001172442085 974802315 /nfs/dbraw/zinc/80/23/15/974802315.db2.gz RHIJNENBSCWHAU-VXGBXAGGSA-N 1 3 216.369 1.717 20 0 BDADHO CC(C)OCC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172442085 974802316 /nfs/dbraw/zinc/80/23/16/974802316.db2.gz RHIJNENBSCWHAU-VXGBXAGGSA-N 1 3 216.369 1.717 20 0 BDADHO C[C@H]1C[N@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC001246544678 972608130 /nfs/dbraw/zinc/60/81/30/972608130.db2.gz YBFIBKKXXOYUNK-FIQHERPVSA-N 1 3 226.364 1.469 20 0 BDADHO C[C@@H](Cc1ccccn1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001256403765 970810484 /nfs/dbraw/zinc/81/04/84/970810484.db2.gz ALBXDCPCBDYGIJ-OBJOEFQTSA-N 1 3 233.359 1.872 20 0 BDADHO CC1([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256675592 970914137 /nfs/dbraw/zinc/91/41/37/970914137.db2.gz DNWPUTLYAPNJFT-UHFFFAOYSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H](Cc1ccncc1)N(C)C[C@@H](C)C[NH3+] ZINC001256726732 970948664 /nfs/dbraw/zinc/94/86/64/970948664.db2.gz BLLOASLMTXXPHI-NWDGAFQWSA-N 1 3 221.348 1.539 20 0 BDADHO CN(CCF)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256865729 971000978 /nfs/dbraw/zinc/00/09/78/971000978.db2.gz TWKSREJZXSBTAC-UHFFFAOYSA-N 1 3 237.322 1.952 20 0 BDADHO NCc1ccnn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894372 971011889 /nfs/dbraw/zinc/01/18/89/971011889.db2.gz HUPYEJZHONNQKN-AWEZNQCLSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1ccnn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894372 971011895 /nfs/dbraw/zinc/01/18/95/971011895.db2.gz HUPYEJZHONNQKN-AWEZNQCLSA-N 1 3 248.374 1.921 20 0 BDADHO COC(=O)CC1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001256973997 971058335 /nfs/dbraw/zinc/05/83/35/971058335.db2.gz GBRIGHRCCGGCGN-MOENNCHZSA-N 1 3 240.347 1.141 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@H]2CCO2)CC1 ZINC001257205294 971123970 /nfs/dbraw/zinc/12/39/70/971123970.db2.gz ITKZASPJHXBUGG-GFCCVEGCSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000405212248 971207532 /nfs/dbraw/zinc/20/75/32/971207532.db2.gz IOOXAQYQRUNWGO-WYUUTHIRSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](N)C23CCC3)O1 ZINC000405212248 971207539 /nfs/dbraw/zinc/20/75/39/971207539.db2.gz IOOXAQYQRUNWGO-WYUUTHIRSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)OC ZINC000405215559 971207675 /nfs/dbraw/zinc/20/76/75/971207675.db2.gz JUQZVMAZRNYVGD-WUHRBBMRSA-N 1 3 240.391 1.907 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405215559 971207683 /nfs/dbraw/zinc/20/76/83/971207683.db2.gz JUQZVMAZRNYVGD-WUHRBBMRSA-N 1 3 240.391 1.907 20 0 BDADHO CCC[C@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001257320235 971217191 /nfs/dbraw/zinc/21/71/91/971217191.db2.gz HYMDXTUYIYOCKA-ZDUSSCGKSA-N 1 3 229.412 1.600 20 0 BDADHO CC(C)(O)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313186 971230233 /nfs/dbraw/zinc/23/02/33/971230233.db2.gz PZROGHCTWUJDKN-UWVGGRQHSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCC2(O)CCC2)C12CCC2 ZINC000405299741 971232892 /nfs/dbraw/zinc/23/28/92/971232892.db2.gz ITVJWORILYGEBO-QWRGUYRKSA-N 1 3 224.348 1.151 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCN2CC=CCC2)C12CCC2 ZINC000405335837 971238693 /nfs/dbraw/zinc/23/86/93/971238693.db2.gz ZFTAWSBLVQOFEY-QWHCGFSZSA-N 1 3 235.375 1.108 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405378836 971245947 /nfs/dbraw/zinc/24/59/47/971245947.db2.gz CGSYAVGMFXXYSM-WOPDTQHZSA-N 1 3 226.364 1.397 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405388010 971246375 /nfs/dbraw/zinc/24/63/75/971246375.db2.gz FPOXILWSTAIDBR-QWRGUYRKSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@H]1C)CN1CCCC1 ZINC000405565408 971275327 /nfs/dbraw/zinc/27/53/27/971275327.db2.gz ZZJYHBNKSIYQSL-AAVRWANBSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@H](C)[C@H]1C)C[NH+]1CCCC1 ZINC000405565408 971275341 /nfs/dbraw/zinc/27/53/41/971275341.db2.gz ZZJYHBNKSIYQSL-AAVRWANBSA-N 1 3 240.391 1.731 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1N[C@@H]1CCCSC1 ZINC001257668743 971469662 /nfs/dbraw/zinc/46/96/62/971469662.db2.gz UXJSWDFBCJHCGZ-KXUCPTDWSA-N 1 3 200.351 1.351 20 0 BDADHO COC(=O)C1CCC([N@H+](C)C[C@H](C)CN)CC1 ZINC001257858853 971505544 /nfs/dbraw/zinc/50/55/44/971505544.db2.gz WCGVGYNSUGYGLI-VOMCLLRMSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)C1CCC([N@@H+](C)C[C@H](C)CN)CC1 ZINC001257858853 971505546 /nfs/dbraw/zinc/50/55/46/971505546.db2.gz WCGVGYNSUGYGLI-VOMCLLRMSA-N 1 3 242.363 1.245 20 0 BDADHO CC1(C)N[C@H](CO[C@@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936258 971539451 /nfs/dbraw/zinc/53/94/51/971539451.db2.gz DMNQBDHXNXUVBZ-GHMZBOCLSA-N 1 3 242.363 1.258 20 0 BDADHO CC(C)C[NH+]1CCC(n2cnc(CN)c2)CC1 ZINC001258001632 971552424 /nfs/dbraw/zinc/55/24/24/971552424.db2.gz XVAZQQKMQZTGTF-UHFFFAOYSA-N 1 3 236.363 1.635 20 0 BDADHO CC(C)CN1CCC([N@H+](C)[C@@H]2CCOC2)CC1 ZINC001258014499 971557446 /nfs/dbraw/zinc/55/74/46/971557446.db2.gz MBHFCGVESVHRPP-CQSZACIVSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)CN1CCC([N@@H+](C)[C@@H]2CCOC2)CC1 ZINC001258014499 971557453 /nfs/dbraw/zinc/55/74/53/971557453.db2.gz MBHFCGVESVHRPP-CQSZACIVSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2c1CNC2 ZINC001218033527 971577391 /nfs/dbraw/zinc/57/73/91/971577391.db2.gz BERLNWIWWNCGAM-NOZJJQNGSA-N 1 3 218.300 1.277 20 0 BDADHO [NH3+]Cc1cccc(O[C@H]2CCNC[C@@H]2F)c1 ZINC001218073683 971597837 /nfs/dbraw/zinc/59/78/37/971597837.db2.gz VQFSXQWQRGTADM-RYUDHWBXSA-N 1 3 224.279 1.224 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@H]1CCCOCC1 ZINC001170792822 971832066 /nfs/dbraw/zinc/83/20/66/971832066.db2.gz TXSNANOTDBPMGD-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCCOCC1 ZINC001170792822 971832069 /nfs/dbraw/zinc/83/20/69/971832069.db2.gz TXSNANOTDBPMGD-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO [NH3+]CC1(F)CCN(Cc2ccco2)CC1 ZINC001222532071 972544912 /nfs/dbraw/zinc/54/49/12/972544912.db2.gz JPFHOGUNGIEGMI-UHFFFAOYSA-N 1 3 212.268 1.542 20 0 BDADHO C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1CNCCO1 ZINC001159488190 971912637 /nfs/dbraw/zinc/91/26/37/971912637.db2.gz ATWLAIKLPWSSHT-CABZTGNLSA-N 1 3 246.314 1.352 20 0 BDADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2cc[nH]c2c1 ZINC001218942331 971966882 /nfs/dbraw/zinc/96/68/82/971966882.db2.gz HKPCSFMPUGONAH-NSHDSACASA-N 1 3 246.314 1.173 20 0 BDADHO NC1(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)CC1 ZINC001218995525 971971277 /nfs/dbraw/zinc/97/12/77/971971277.db2.gz RCKHJGNUNITPTI-NSHDSACASA-N 1 3 245.326 1.193 20 0 BDADHO C=Cc1cccc(N[C@@H](N)CCC[NH3+])c1 ZINC001170900382 972063526 /nfs/dbraw/zinc/06/35/26/972063526.db2.gz SZFUMXURXXAULX-GFCCVEGCSA-N 1 3 205.305 1.765 20 0 BDADHO Cc1[nH]c2ncc(N[C@@H](N)CCC[NH3+])cc2c1C ZINC001170900343 972064011 /nfs/dbraw/zinc/06/40/11/972064011.db2.gz KIIHLWQNKWHSFZ-GFCCVEGCSA-N 1 3 247.346 1.615 20 0 BDADHO CCc1cc2cc(N[C@H](N)CCC[NH3+])cnc2[nH]1 ZINC001170900759 972069324 /nfs/dbraw/zinc/06/93/24/972069324.db2.gz XVPHSFIECZFMNX-LBPRGKRZSA-N 1 3 247.346 1.561 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccccc1C1CC1 ZINC001170902118 972075164 /nfs/dbraw/zinc/07/51/64/972075164.db2.gz BEKGDVIGHZXDEG-ZDUSSCGKSA-N 1 3 219.332 2.000 20 0 BDADHO N[C@H](CCC[NH3+])N[C@H](F)c1ccnc(Cl)c1 ZINC001159784466 972110738 /nfs/dbraw/zinc/11/07/38/972110738.db2.gz JBRDUKWUOSLBHW-UWVGGRQHSA-N 1 3 246.717 1.316 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](F)CC2)CCN1 ZINC001246090493 972143012 /nfs/dbraw/zinc/14/30/12/972143012.db2.gz YBQVRBWLHOAEFF-WYUUTHIRSA-N 1 3 214.328 1.997 20 0 BDADHO N[C@@H](CCC[NH3+])C(=O)NCCC1=CCCCC1 ZINC001220253750 972197850 /nfs/dbraw/zinc/19/78/50/972197850.db2.gz BITDOSUGTGRNAM-LBPRGKRZSA-N 1 3 239.363 1.059 20 0 BDADHO CCOC(=O)CCCCN[C@H]1CCC[NH2+]C1 ZINC001246185173 972209425 /nfs/dbraw/zinc/20/94/25/972209425.db2.gz ABYLPDQDCICFAB-NSHDSACASA-N 1 3 228.336 1.061 20 0 BDADHO CCOC(=O)CCCC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246185487 972210325 /nfs/dbraw/zinc/21/03/25/972210325.db2.gz FCZRXOBYBDACLN-RYUDHWBXSA-N 1 3 242.363 1.450 20 0 BDADHO CC/C=C/NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220560358 972240432 /nfs/dbraw/zinc/24/04/32/972240432.db2.gz FEUNNKPPPVUIIU-NKLKJHRZSA-N 1 3 227.352 1.086 20 0 BDADHO COC1CC(C[NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000705481734 957264174 /nfs/dbraw/zinc/26/41/74/957264174.db2.gz KRQZONJTCUDQFD-UZEXVOJHSA-N 1 3 212.337 1.142 20 0 BDADHO Cc1ncccc1C[NH2+][C@H]1CCCN(C)CC1 ZINC000705532328 957305360 /nfs/dbraw/zinc/30/53/60/957305360.db2.gz MMDDUCPHUVDBLX-AWEZNQCLSA-N 1 3 233.359 1.964 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1cccnc1 ZINC001246306894 972267678 /nfs/dbraw/zinc/26/76/78/972267678.db2.gz UDQHZZKXUQXGLZ-QWRGUYRKSA-N 1 3 207.321 1.340 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@H](NC[C@H]([NH3+])CC)C1 ZINC001246320109 972279101 /nfs/dbraw/zinc/27/91/01/972279101.db2.gz XSDXGHHZRJXBNA-UTUOFQBUSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CCN1 ZINC000707564120 958589534 /nfs/dbraw/zinc/58/95/34/958589534.db2.gz KIWREYDVEYAZHL-WOPDTQHZSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)CCN1 ZINC000707564120 958589540 /nfs/dbraw/zinc/58/95/40/958589540.db2.gz KIWREYDVEYAZHL-WOPDTQHZSA-N 1 3 226.364 1.362 20 0 BDADHO CO[C@H](C)C1C[NH+](CC(C)(C)CN(C)C)C1 ZINC001207289142 958889542 /nfs/dbraw/zinc/88/95/42/958889542.db2.gz ZWPJBVYWNXZWCX-LLVKDONJSA-N 1 3 228.380 1.541 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1cscn1 ZINC000693599093 958925305 /nfs/dbraw/zinc/92/53/05/958925305.db2.gz RQUNYUPXFBDVLK-CIUDSAMLSA-N 1 3 211.334 1.531 20 0 BDADHO CO[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@@H]1C ZINC000300354912 959378305 /nfs/dbraw/zinc/37/83/05/959378305.db2.gz FIPIVYQXKZEJCS-RNJOBUHISA-N 1 3 226.364 1.199 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCCC2)C12CCC2 ZINC000405496700 959452267 /nfs/dbraw/zinc/45/22/67/959452267.db2.gz QBLJHPPPZDJIAJ-YNEHKIRRSA-N 1 3 238.375 1.397 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CCN1 ZINC000709334048 959631989 /nfs/dbraw/zinc/63/19/89/959631989.db2.gz XBJYIOGQJOSSJM-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO C[NH2+]CCNc1cc(CN2CCCCC2)ccn1 ZINC001167723129 960222961 /nfs/dbraw/zinc/22/29/61/960222961.db2.gz KMWOFIWTVPLGCS-UHFFFAOYSA-N 1 3 248.374 1.699 20 0 BDADHO [NH3+]CCc1ccn(-c2ccnc(C3CC3)c2)n1 ZINC001167731202 960271468 /nfs/dbraw/zinc/27/14/68/960271468.db2.gz BQHSSFUSZNCALB-UHFFFAOYSA-N 1 3 228.299 1.646 20 0 BDADHO C[C@H]1CCCCN1CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925549974 960326256 /nfs/dbraw/zinc/32/62/56/960326256.db2.gz JYNBHWZWBURKAV-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925633264 960484003 /nfs/dbraw/zinc/48/40/03/960484003.db2.gz CTTMYWIZPOICRR-WJTVCTBASA-N 1 3 240.391 1.512 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925633264 960484007 /nfs/dbraw/zinc/48/40/07/960484007.db2.gz CTTMYWIZPOICRR-WJTVCTBASA-N 1 3 240.391 1.512 20 0 BDADHO C[C@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CCN1 ZINC000709477053 960618224 /nfs/dbraw/zinc/61/82/24/960618224.db2.gz ITQWROZXUQJWPA-JSGCOSHPSA-N 1 3 233.359 1.696 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+](C)CCc2ccncc2)CCN1 ZINC000709477053 960618231 /nfs/dbraw/zinc/61/82/31/960618231.db2.gz ITQWROZXUQJWPA-JSGCOSHPSA-N 1 3 233.359 1.696 20 0 BDADHO CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001268670557 962262715 /nfs/dbraw/zinc/26/27/15/962262715.db2.gz FAXYEQVFABEEAX-VXGBXAGGSA-N 1 3 243.395 1.075 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCOCC1 ZINC000710454342 962379074 /nfs/dbraw/zinc/37/90/74/962379074.db2.gz LTUJFPWQXNYCQW-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO C(C1CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710814967 962481840 /nfs/dbraw/zinc/48/18/40/962481840.db2.gz OUCQJCHONKGQHB-YIONKMFJSA-N 1 3 249.402 1.297 20 0 BDADHO Cc1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1N ZINC001155410710 963069052 /nfs/dbraw/zinc/06/90/52/963069052.db2.gz LLZRWRYVCTWWQP-WCQYABFASA-N 1 3 232.331 1.669 20 0 BDADHO Cc1nc(NC(=N)SCC[NH3+])cc2[nH]ccc21 ZINC001157131012 963538940 /nfs/dbraw/zinc/53/89/40/963538940.db2.gz ULNLMAKTODTACL-UHFFFAOYSA-N 1 3 249.343 1.910 20 0 BDADHO CN(Cc1ccc(NCC(C)(C)[NH3+])nc1)C1CC1 ZINC001160032379 964242006 /nfs/dbraw/zinc/24/20/06/964242006.db2.gz UGQKRTYNBOHLNO-UHFFFAOYSA-N 1 3 248.374 1.825 20 0 BDADHO CN(C)Cc1ccnc(NC/C=C/C[NH3+])c1 ZINC001160982069 964467352 /nfs/dbraw/zinc/46/73/52/964467352.db2.gz BWRAJKHUFJZGTB-ONEGZZNKSA-N 1 3 220.320 1.070 20 0 BDADHO COCC1(C[NH2+]CC[C@H](C)N(C)C)CCC1 ZINC000697854638 964567720 /nfs/dbraw/zinc/56/77/20/964567720.db2.gz ZMRLYTXFJQFSNO-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](CC[NH2+]CC[C@H]1CCOC1)N(C)C ZINC000697874489 964599196 /nfs/dbraw/zinc/59/91/96/964599196.db2.gz ZHGVEVUPQNSRKQ-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](CC[NH2+]C[C@H]1CCSC1)N(C)C ZINC000697873159 964599295 /nfs/dbraw/zinc/59/92/95/964599295.db2.gz UCHPWALQMLUFQY-GHMZBOCLSA-N 1 3 216.394 1.669 20 0 BDADHO C[C@@H](CC[NH2+]CCCc1cnn(C)c1)N(C)C ZINC000697871141 964600368 /nfs/dbraw/zinc/60/03/68/964600368.db2.gz NWTDRGVCFDSQGA-LBPRGKRZSA-N 1 3 238.379 1.283 20 0 BDADHO Cc1cc(-n2cnc(CN)c2)cc(C)[nH+]1 ZINC001162302503 964917948 /nfs/dbraw/zinc/91/79/48/964917948.db2.gz UCTJDKUZMHAFNX-UHFFFAOYSA-N 1 3 202.261 1.343 20 0 BDADHO NCc1cn(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cn1 ZINC001162303953 964919333 /nfs/dbraw/zinc/91/93/33/964919333.db2.gz BGLJFVFUMIRNPH-AWEZNQCLSA-N 1 3 242.326 1.756 20 0 BDADHO Nc1ccnc(NC[C@]2(CC3CC3)CCC[NH2+]2)c1 ZINC001162349545 964941886 /nfs/dbraw/zinc/94/18/86/964941886.db2.gz BKRKOCQVNFQILJ-CQSZACIVSA-N 1 3 246.358 1.998 20 0 BDADHO Cc1nc2ccc(NC[C@@H]3C[C@H](F)C[NH2+]3)cc2[nH]1 ZINC001162477738 964991747 /nfs/dbraw/zinc/99/17/47/964991747.db2.gz OKYIMYMNFMRJFZ-ONGXEEELSA-N 1 3 248.305 1.983 20 0 BDADHO NCc1ccnn1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001162593231 965062107 /nfs/dbraw/zinc/06/21/07/965062107.db2.gz DHJYWRYUFZBWMG-CQSZACIVSA-N 1 3 242.326 1.756 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1Nc1nccc2c1CCN2 ZINC001162667050 965102220 /nfs/dbraw/zinc/10/22/20/965102220.db2.gz UONUUCJHYNGFLF-PSASIEDQSA-N 1 3 218.304 1.212 20 0 BDADHO C1=C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000698205073 965106372 /nfs/dbraw/zinc/10/63/72/965106372.db2.gz NMYDZAAWFJFNCH-AVGNSLFASA-N 1 3 206.333 1.921 20 0 BDADHO C1=C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000698205073 965106379 /nfs/dbraw/zinc/10/63/79/965106379.db2.gz NMYDZAAWFJFNCH-AVGNSLFASA-N 1 3 206.333 1.921 20 0 BDADHO N[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400729 965204422 /nfs/dbraw/zinc/20/44/22/965204422.db2.gz QHVAZZLAFWRWBU-ZIAGYGMSSA-N 1 3 234.318 1.716 20 0 BDADHO N[C@@H]1CC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400729 965204430 /nfs/dbraw/zinc/20/44/30/965204430.db2.gz QHVAZZLAFWRWBU-ZIAGYGMSSA-N 1 3 234.318 1.716 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC001172412590 974677298 /nfs/dbraw/zinc/67/72/98/974677298.db2.gz ZFOOMLLWZJTGNO-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC001172412590 974677301 /nfs/dbraw/zinc/67/73/01/974677301.db2.gz ZFOOMLLWZJTGNO-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO [NH3+]C[C@H]1CN(CC2CCC2)CCC1(F)F ZINC000403248230 965604439 /nfs/dbraw/zinc/60/44/39/965604439.db2.gz RRUGAAGZCATUAI-JTQLQIEISA-N 1 3 218.291 1.702 20 0 BDADHO Cc1c[nH]c(=O)c(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117907 965874015 /nfs/dbraw/zinc/87/40/15/965874015.db2.gz YPTTVHQVUFYVBP-GFCCVEGCSA-N 1 3 235.331 1.409 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2cccc3cncn32)CC1 ZINC001205124010 965886499 /nfs/dbraw/zinc/88/64/99/965886499.db2.gz IMPCGQUXNRRXJH-GFCCVEGCSA-N 1 3 244.342 1.648 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000699500004 965923184 /nfs/dbraw/zinc/92/31/84/965923184.db2.gz ZOPDAKVBMZWGOL-MQYQWHSLSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000699500004 965923189 /nfs/dbraw/zinc/92/31/89/965923189.db2.gz ZOPDAKVBMZWGOL-MQYQWHSLSA-N 1 3 238.375 1.628 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccco1)CC2 ZINC001203283570 966594903 /nfs/dbraw/zinc/59/49/03/966594903.db2.gz JZKNJLASZPBTGI-UHFFFAOYSA-N 1 3 220.316 1.807 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC001203283570 966594908 /nfs/dbraw/zinc/59/49/08/966594908.db2.gz JZKNJLASZPBTGI-UHFFFAOYSA-N 1 3 220.316 1.807 20 0 BDADHO CCc1[nH]ncc1CN1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001237656022 966688451 /nfs/dbraw/zinc/68/84/51/966688451.db2.gz SGBJVXIHHFRZKL-STQMWFEESA-N 1 3 248.374 1.356 20 0 BDADHO c1c(CN2CCC[NH2+]CC2)nc2cc[nH]cc1-2 ZINC001204675130 967133565 /nfs/dbraw/zinc/13/35/65/967133565.db2.gz HWKUWPRCTMRHAT-UHFFFAOYSA-N 1 3 230.315 1.358 20 0 BDADHO c1c2cnccc2[nH]c1CN1CCC[NH2+]CC1 ZINC001204675130 967133569 /nfs/dbraw/zinc/13/35/69/967133569.db2.gz HWKUWPRCTMRHAT-UHFFFAOYSA-N 1 3 230.315 1.358 20 0 BDADHO C[C@H](CC[N@H+]1C[C@H](N)C[C@H](O)C1)CC(C)(C)C ZINC001204955966 967253973 /nfs/dbraw/zinc/25/39/73/967253973.db2.gz MPEHMYGEKKQPSI-UPJWGTAASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](CC[N@@H+]1C[C@H](N)C[C@H](O)C1)CC(C)(C)C ZINC001204955966 967253965 /nfs/dbraw/zinc/25/39/65/967253965.db2.gz MPEHMYGEKKQPSI-UPJWGTAASA-N 1 3 242.407 1.843 20 0 BDADHO [NH3+]CC1CCN(Cc2cc3ccncc3[nH]2)CC1 ZINC001205047473 967305812 /nfs/dbraw/zinc/30/58/12/967305812.db2.gz VQHSBNGIJMHJIX-UHFFFAOYSA-N 1 3 244.342 1.734 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2c[nH]c3ccncc23)CC1 ZINC001205109151 967354521 /nfs/dbraw/zinc/35/45/21/967354521.db2.gz BPDMYZVHIFMWJJ-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc3n[nH]cc3c2)CC1 ZINC001205110136 967356298 /nfs/dbraw/zinc/35/62/98/967356298.db2.gz PJJZRABBMRUCJY-ZDUSSCGKSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@H]1CN(Cc2ccc3cc[nH]c3n2)C[C@H]1C[NH3+] ZINC001205145700 967390747 /nfs/dbraw/zinc/39/07/47/967390747.db2.gz BFIIMTRIQSVMEN-CMPLNLGQSA-N 1 3 244.342 1.590 20 0 BDADHO CCOC(=O)CCN1CCC[C@@](C)([NH3+])CC1 ZINC001205256532 967448455 /nfs/dbraw/zinc/44/84/55/967448455.db2.gz PEBOZOJSYQRWED-GFCCVEGCSA-N 1 3 228.336 1.143 20 0 BDADHO C[C@H]1CCNCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001205332367 967547193 /nfs/dbraw/zinc/54/71/93/967547193.db2.gz PTDMGKPTWRZQEU-LBPRGKRZSA-N 1 3 245.370 1.838 20 0 BDADHO C[C@H]1CCNCC[N@H+]1Cc1cccc2c1CCN2 ZINC001205332367 967547204 /nfs/dbraw/zinc/54/72/04/967547204.db2.gz PTDMGKPTWRZQEU-LBPRGKRZSA-N 1 3 245.370 1.838 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccncn2)CC1 ZINC001205558999 967696828 /nfs/dbraw/zinc/69/68/28/967696828.db2.gz MUZHXNRAMXHSMZ-GFCCVEGCSA-N 1 3 238.310 1.130 20 0 BDADHO C[C@H]1CC[N@H+](Cc2cncc([O-])c2)CC[C@@H]1C[NH3+] ZINC001205639014 967736321 /nfs/dbraw/zinc/73/63/21/967736321.db2.gz UTDCVVVQFLZTHR-WCQYABFASA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1CC[N@@H+](Cc2cncc([O-])c2)CC[C@@H]1C[NH3+] ZINC001205639014 967736331 /nfs/dbraw/zinc/73/63/31/967736331.db2.gz UTDCVVVQFLZTHR-WCQYABFASA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803317 967827744 /nfs/dbraw/zinc/82/77/44/967827744.db2.gz GBOMHPKOCYZWML-WOPDTQHZSA-N 1 3 242.363 1.197 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803317 967827745 /nfs/dbraw/zinc/82/77/45/967827745.db2.gz GBOMHPKOCYZWML-WOPDTQHZSA-N 1 3 242.363 1.197 20 0 BDADHO CCc1[nH]ncc1CN1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205855615 967856521 /nfs/dbraw/zinc/85/65/21/967856521.db2.gz OJBXYPQMRNNKKP-JQWIXIFHSA-N 1 3 236.363 1.531 20 0 BDADHO C[C@@H]1CN(Cc2nccn2C)CCC[C@@H]1C[NH3+] ZINC001205996738 967949178 /nfs/dbraw/zinc/94/91/78/967949178.db2.gz XZVSMFPHAPTWGE-VXGBXAGGSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@H]1CN(Cc2nccs2)CCC[C@@H]1C[NH3+] ZINC001205992928 967951178 /nfs/dbraw/zinc/95/11/78/967951178.db2.gz GFIAOJLOJIKNQU-WDEREUQCSA-N 1 3 239.388 1.950 20 0 BDADHO C[C@H]1CN(Cc2ccon2)CCC[C@H]1C[NH3+] ZINC001205996561 967952270 /nfs/dbraw/zinc/95/22/70/967952270.db2.gz XGPOYRVXVRELQI-QWRGUYRKSA-N 1 3 223.320 1.481 20 0 BDADHO C[C@H]1CNCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001206276040 968190364 /nfs/dbraw/zinc/19/03/64/968190364.db2.gz AUMYWBMCENNBFN-LBPRGKRZSA-N 1 3 245.370 1.696 20 0 BDADHO C[C@H]1CNCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001206276040 968190370 /nfs/dbraw/zinc/19/03/70/968190370.db2.gz AUMYWBMCENNBFN-LBPRGKRZSA-N 1 3 245.370 1.696 20 0 BDADHO CC[C@H](C(=O)NCc1ccccc1C[NH3+])N(C)C ZINC001119236195 968292364 /nfs/dbraw/zinc/29/23/64/968292364.db2.gz XWHNXOJIWJNHLR-CYBMUJFWSA-N 1 3 249.358 1.102 20 0 BDADHO CC[C@@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001251814020 968348673 /nfs/dbraw/zinc/34/86/73/968348673.db2.gz KWOILQWUILYWTG-LLVKDONJSA-N 1 3 233.315 1.466 20 0 BDADHO Cc1cccc(C)c1CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206518634 968351280 /nfs/dbraw/zinc/35/12/80/968351280.db2.gz BCTGGTKSDFVBFP-JSGCOSHPSA-N 1 3 234.343 1.055 20 0 BDADHO Cc1cc(C)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206525367 968356117 /nfs/dbraw/zinc/35/61/17/968356117.db2.gz ODTONBIMZQDGBI-GJZGRUSLSA-N 1 3 248.370 1.363 20 0 BDADHO COC(=O)CCC[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001206542115 968366891 /nfs/dbraw/zinc/36/68/91/968366891.db2.gz RQXIZSXPBMHLER-CYBMUJFWSA-N 1 3 242.363 1.391 20 0 BDADHO COC(=O)CCC[N@H+]1CCCC[C@](C)(CN)C1 ZINC001206542115 968366894 /nfs/dbraw/zinc/36/68/94/968366894.db2.gz RQXIZSXPBMHLER-CYBMUJFWSA-N 1 3 242.363 1.391 20 0 BDADHO Cc1cc2[nH]ccc2c(N(C)C2C[NH2+]C2)n1 ZINC001166978232 968413434 /nfs/dbraw/zinc/41/34/34/968413434.db2.gz KHIILPTWNPKXON-UHFFFAOYSA-N 1 3 216.288 1.279 20 0 BDADHO [NH3+]CCCCN1CCCC(F)(F)[C@H](F)C1 ZINC001206744193 968451720 /nfs/dbraw/zinc/45/17/20/968451720.db2.gz GXWFXLVAGIZJIR-SECBINFHSA-N 1 3 224.270 1.795 20 0 BDADHO CCOC(=O)CC[N@H+](C)CC(C)(C)CN(C)C ZINC001207285377 968718996 /nfs/dbraw/zinc/71/89/96/968718996.db2.gz ITISSFKAJIOJHO-UHFFFAOYSA-N 1 3 244.379 1.459 20 0 BDADHO CCOC(=O)CC[N@@H+](C)CC(C)(C)CN(C)C ZINC001207285377 968719003 /nfs/dbraw/zinc/71/90/03/968719003.db2.gz ITISSFKAJIOJHO-UHFFFAOYSA-N 1 3 244.379 1.459 20 0 BDADHO CCN(CC1CC[NH+](C)CC1)C1COC1 ZINC001207399060 968752554 /nfs/dbraw/zinc/75/25/54/968752554.db2.gz XKQRMJMHEMERFI-UHFFFAOYSA-N 1 3 212.337 1.049 20 0 BDADHO CC1(C)CN(CC2CC[NH2+]CC2)CCC1=O ZINC001207439080 968774543 /nfs/dbraw/zinc/77/45/43/968774543.db2.gz LIBAOSBBAGARHS-UHFFFAOYSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001207479015 968793460 /nfs/dbraw/zinc/79/34/60/968793460.db2.gz ARVUCGYAMMUJLH-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CC(=O)[C@@H]1CCCN1CCC1CC[NH+](C)CC1 ZINC001207489217 968801204 /nfs/dbraw/zinc/80/12/04/968801204.db2.gz VLOIYUJHVZMBKH-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO CO[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000829274887 968825805 /nfs/dbraw/zinc/82/58/05/968825805.db2.gz IFVZBKLZUZTLMK-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN[C@H]1CC[C@@H](F)C1 ZINC001253202547 969108599 /nfs/dbraw/zinc/10/85/99/969108599.db2.gz KAZYSMWEIXXJSP-GRYCIOLGSA-N 1 3 232.343 1.169 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2CCC[C@]3(CCO3)C2)C1 ZINC001208613437 969170045 /nfs/dbraw/zinc/17/00/45/969170045.db2.gz UENYJDBIZUMZBF-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@H](CN2CCC[C@]3(CCO3)C2)C1 ZINC001208613437 969170051 /nfs/dbraw/zinc/17/00/51/969170051.db2.gz UENYJDBIZUMZBF-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN(C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208617552 969175262 /nfs/dbraw/zinc/17/52/62/969175262.db2.gz PXDCZJJWOOLQRX-MELADBBJSA-N 1 3 237.391 1.107 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN(C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208617552 969175269 /nfs/dbraw/zinc/17/52/69/969175269.db2.gz PXDCZJJWOOLQRX-MELADBBJSA-N 1 3 237.391 1.107 20 0 BDADHO CO[C@H]1CCC[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470240 969318844 /nfs/dbraw/zinc/31/88/44/969318844.db2.gz RNBWMODQHZIIDR-WISYIIOYSA-N 1 3 212.337 1.223 20 0 BDADHO CCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091677 969408451 /nfs/dbraw/zinc/40/84/51/969408451.db2.gz UNVFMZZTKPDVHH-XYYAHUGASA-N 1 3 226.364 1.628 20 0 BDADHO CCCOCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091677 969408453 /nfs/dbraw/zinc/40/84/53/969408453.db2.gz UNVFMZZTKPDVHH-XYYAHUGASA-N 1 3 226.364 1.628 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1cnoc1)C2 ZINC001169116374 969411705 /nfs/dbraw/zinc/41/17/05/969411705.db2.gz QASQXWCKEJFESQ-CLLJXQQHSA-N 1 3 235.331 1.432 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCN(C)CC1)C2 ZINC001169126968 969433527 /nfs/dbraw/zinc/43/35/27/969433527.db2.gz YMMGWKLXAQZHFA-WDNDVIMCSA-N 1 3 237.391 1.249 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCN(C)CC1)C2 ZINC001169126968 969433530 /nfs/dbraw/zinc/43/35/30/969433530.db2.gz YMMGWKLXAQZHFA-WDNDVIMCSA-N 1 3 237.391 1.249 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001169144138 969461700 /nfs/dbraw/zinc/46/17/00/969461700.db2.gz JTCZAENEDZGHIQ-MQYQWHSLSA-N 1 3 237.391 1.248 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001169144138 969461709 /nfs/dbraw/zinc/46/17/09/969461709.db2.gz JTCZAENEDZGHIQ-MQYQWHSLSA-N 1 3 237.391 1.248 20 0 BDADHO CN(C)C1(C)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169145942 969463285 /nfs/dbraw/zinc/46/32/85/969463285.db2.gz NMODRKZTFUQNSL-CLLJXQQHSA-N 1 3 237.391 1.248 20 0 BDADHO CN(C)C1(C)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169145942 969463295 /nfs/dbraw/zinc/46/32/95/969463295.db2.gz NMODRKZTFUQNSL-CLLJXQQHSA-N 1 3 237.391 1.248 20 0 BDADHO Cc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)nc(N)n1 ZINC000690358577 969469500 /nfs/dbraw/zinc/46/95/00/969469500.db2.gz TYHQADWVURZGDI-JTQLQIEISA-N 1 3 249.362 1.652 20 0 BDADHO Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)nc(N)n1 ZINC000690358577 969469511 /nfs/dbraw/zinc/46/95/11/969469511.db2.gz TYHQADWVURZGDI-JTQLQIEISA-N 1 3 249.362 1.652 20 0 BDADHO CN(C)C1(C)CN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254525415 969723357 /nfs/dbraw/zinc/72/33/57/969723357.db2.gz HZABREIDOADINJ-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)C1(C)CN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254525415 969723364 /nfs/dbraw/zinc/72/33/64/969723364.db2.gz HZABREIDOADINJ-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO Cc1ncn(C)c1Nc1c[nH+]c(N)cc1C ZINC001209968411 969737535 /nfs/dbraw/zinc/73/75/35/969737535.db2.gz ZEQGXCRTJUNAOT-UHFFFAOYSA-N 1 3 217.276 1.758 20 0 BDADHO CN1CC[C@H](C[NH2+][C@@H]2CC3CCN(CC3)C2)C1 ZINC001254836496 969798278 /nfs/dbraw/zinc/79/82/78/969798278.db2.gz LZWWNUQSCAKIOB-ZIAGYGMSSA-N 1 3 237.391 1.012 20 0 BDADHO CC1([NH3+])CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254926798 969824035 /nfs/dbraw/zinc/82/40/35/969824035.db2.gz GVSRMJRUWBSQBK-QWRGUYRKSA-N 1 3 236.359 1.557 20 0 BDADHO CN(C)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255279226 970029060 /nfs/dbraw/zinc/02/90/60/970029060.db2.gz HSSIVCOCYXIESL-LLVKDONJSA-N 1 3 214.378 1.518 20 0 BDADHO CN(c1nccc2c1CCN2)C(C)(C)C[NH3+] ZINC001170052626 970091073 /nfs/dbraw/zinc/09/10/73/970091073.db2.gz IYMCWSUTHJRAPY-UHFFFAOYSA-N 1 3 220.320 1.223 20 0 BDADHO CCC1([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)COC1 ZINC001255667762 970448907 /nfs/dbraw/zinc/44/89/07/970448907.db2.gz QVNDUHKMWPJDRG-YHWZYXNKSA-N 1 3 238.375 1.770 20 0 BDADHO [NH3+][C@H]1CCN(C[C@H]2CC3CCC2CC3)C1 ZINC000400134198 970559881 /nfs/dbraw/zinc/55/98/81/970559881.db2.gz WNNQSYDYQQUPCO-TUUUFIMRSA-N 1 3 208.349 1.846 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@](C)(CO)C1 ZINC001255956510 970597533 /nfs/dbraw/zinc/59/75/33/970597533.db2.gz KUSNERYUAWSEKL-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@](C)(CO)C1 ZINC001255956510 970597539 /nfs/dbraw/zinc/59/75/39/970597539.db2.gz KUSNERYUAWSEKL-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000400783448 970627297 /nfs/dbraw/zinc/62/72/97/970627297.db2.gz IFRCVLMTPKHINF-SDDRHHMPSA-N 1 3 243.395 1.206 20 0 BDADHO [NH3+]CC1(F)CCN(Cc2cccnc2)CC1 ZINC001222532331 972547965 /nfs/dbraw/zinc/54/79/65/972547965.db2.gz KPTTVGHHMKKBMW-UHFFFAOYSA-N 1 3 223.295 1.344 20 0 BDADHO C[C@H]1C[N@@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC001246544678 972608124 /nfs/dbraw/zinc/60/81/24/972608124.db2.gz YBFIBKKXXOYUNK-FIQHERPVSA-N 1 3 226.364 1.469 20 0 BDADHO NC[C@H]1CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581346 972944710 /nfs/dbraw/zinc/94/47/10/972944710.db2.gz JEBXRSMYDNDRSW-RLAWYHOSSA-N 1 3 236.359 1.533 20 0 BDADHO NC[C@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581346 972944714 /nfs/dbraw/zinc/94/47/14/972944714.db2.gz JEBXRSMYDNDRSW-RLAWYHOSSA-N 1 3 236.359 1.533 20 0 BDADHO [NH3+][C@]12CC[C@H]1CN([C@H]1CCc3ncsc3C1)C2 ZINC001246851271 973152190 /nfs/dbraw/zinc/15/21/90/973152190.db2.gz FBWJRAYDEHXMSH-KWBADKCTSA-N 1 3 249.383 1.424 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CC[C@@]3(N)C1)C2 ZINC001246856326 973175974 /nfs/dbraw/zinc/17/59/74/973175974.db2.gz WTQBASGZKWHPEG-VQJWOFKYSA-N 1 3 249.402 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CC[C@@]3(N)C1)C2 ZINC001246856326 973175990 /nfs/dbraw/zinc/17/59/90/973175990.db2.gz WTQBASGZKWHPEG-VQJWOFKYSA-N 1 3 249.402 1.425 20 0 BDADHO C1=C2NCCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2CCC1 ZINC001246991155 973772190 /nfs/dbraw/zinc/77/21/90/973772190.db2.gz AAEIRGVWTFNPJV-JLNYLFASSA-N 1 3 247.386 1.611 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171412441 974022574 /nfs/dbraw/zinc/02/25/74/974022574.db2.gz WZMMNFUYTIONEP-ZYHUDNBSSA-N 1 3 236.334 1.867 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1CCN(CC)C(=O)C1 ZINC001172023689 974279030 /nfs/dbraw/zinc/27/90/30/974279030.db2.gz PSFZFQBTUBNPAB-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1CCN(CC)C(=O)C1 ZINC001172023689 974279037 /nfs/dbraw/zinc/27/90/37/974279037.db2.gz PSFZFQBTUBNPAB-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO N[C@H]1CC[N@H+](Cc2ccc[nH]2)CC[C@@H]1F ZINC001206155594 974331618 /nfs/dbraw/zinc/33/16/18/974331618.db2.gz MODYWXHOCALZML-QWRGUYRKSA-N 1 3 211.284 1.276 20 0 BDADHO N[C@H]1CC[N@@H+](Cc2ccc[nH]2)CC[C@@H]1F ZINC001206155594 974331629 /nfs/dbraw/zinc/33/16/29/974331629.db2.gz MODYWXHOCALZML-QWRGUYRKSA-N 1 3 211.284 1.276 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103666 974370227 /nfs/dbraw/zinc/37/02/27/974370227.db2.gz WKQZYDKUPPMYIT-SYQHCUMBSA-N 1 3 239.407 1.541 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1cnoc1)C2 ZINC001172112553 974372477 /nfs/dbraw/zinc/37/24/77/974372477.db2.gz XNYHFUGWZSOLTE-BTTYYORXSA-N 1 3 249.358 1.822 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1cnoc1)C2 ZINC001172112553 974372483 /nfs/dbraw/zinc/37/24/83/974372483.db2.gz XNYHFUGWZSOLTE-BTTYYORXSA-N 1 3 249.358 1.822 20 0 BDADHO Cc1ncccc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206167039 974884169 /nfs/dbraw/zinc/88/41/69/974884169.db2.gz WGPQJIXMRGWHRQ-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ncccc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206167039 974884173 /nfs/dbraw/zinc/88/41/73/974884173.db2.gz WGPQJIXMRGWHRQ-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO C[N@@H+]1CCC[C@@H](Oc2ccnc(N)c2)C1 ZINC001226655339 975002086 /nfs/dbraw/zinc/00/20/86/975002086.db2.gz FQPJSNUKXPGMNQ-SNVBAGLBSA-N 1 3 207.277 1.137 20 0 BDADHO C[N@H+]1CCC[C@@H](Oc2ccnc(N)c2)C1 ZINC001226655339 975002095 /nfs/dbraw/zinc/00/20/95/975002095.db2.gz FQPJSNUKXPGMNQ-SNVBAGLBSA-N 1 3 207.277 1.137 20 0 BDADHO C[NH+](C)C1CCC(Oc2ccnc(N)c2)CC1 ZINC001226657423 975004864 /nfs/dbraw/zinc/00/48/64/975004864.db2.gz PNTIUZACUVOFMS-UHFFFAOYSA-N 1 3 235.331 1.915 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173128144 975037269 /nfs/dbraw/zinc/03/72/69/975037269.db2.gz HJZBFCFFMUKCQE-BDAKNGLRSA-N 1 3 225.361 1.185 20 0 BDADHO C[C@]1(CN2CC[C@H]3OCCC[C@H]3C2)CC[NH2+]C1 ZINC001332338374 975061300 /nfs/dbraw/zinc/06/13/00/975061300.db2.gz CURGSCINSVJWIA-MJBXVCDLSA-N 1 3 238.375 1.487 20 0 BDADHO CCSC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC001173293805 975172066 /nfs/dbraw/zinc/17/20/66/975172066.db2.gz GPAKGCJPSOYOBV-SNVBAGLBSA-N 1 3 216.394 1.941 20 0 BDADHO CC[N@@H+]1CC[C@@H](n2nc(CN)c3ccccc32)C1 ZINC001173352510 975299528 /nfs/dbraw/zinc/29/95/28/975299528.db2.gz OKAUWNCFVFDJOT-LLVKDONJSA-N 1 3 244.342 1.762 20 0 BDADHO CC[N@H+]1CC[C@@H](n2nc(CN)c3ccccc32)C1 ZINC001173352510 975299536 /nfs/dbraw/zinc/29/95/36/975299536.db2.gz OKAUWNCFVFDJOT-LLVKDONJSA-N 1 3 244.342 1.762 20 0 BDADHO COc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cn1 ZINC001335380381 977010570 /nfs/dbraw/zinc/01/05/70/977010570.db2.gz FRJMKPQPZVYSLV-GHMZBOCLSA-N 1 3 237.347 1.348 20 0 BDADHO CN(C[C@H]1CCC[N@@H+]1C)c1ccncc1 ZINC001337707794 978468735 /nfs/dbraw/zinc/46/87/35/978468735.db2.gz RMZQGGOCAVSSNI-GFCCVEGCSA-N 1 3 205.305 1.612 20 0 BDADHO CN(C[C@H]1CCC[N@H+]1C)c1ccncc1 ZINC001337707794 978468742 /nfs/dbraw/zinc/46/87/42/978468742.db2.gz RMZQGGOCAVSSNI-GFCCVEGCSA-N 1 3 205.305 1.612 20 0 BDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC001338491141 978696369 /nfs/dbraw/zinc/69/63/69/978696369.db2.gz FHTXRBVIIAXTDS-DGCLKSJQSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC001338491141 978696374 /nfs/dbraw/zinc/69/63/74/978696374.db2.gz FHTXRBVIIAXTDS-DGCLKSJQSA-N 1 3 240.391 1.467 20 0 BDADHO CCN(CC)CC(=O)NCCCCC[NH+](C)C ZINC001180390431 978873635 /nfs/dbraw/zinc/87/36/35/978873635.db2.gz UEGXIVYMQABQKU-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO c1ccc([C@H]2CN(C[C@H]3CC[NH2+]C3)CCN2)cc1 ZINC001235859828 979175230 /nfs/dbraw/zinc/17/52/30/979175230.db2.gz PNVGMRFWUQIVOO-DZGCQCFKSA-N 1 3 245.370 1.242 20 0 BDADHO N[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CC[C@H]1F ZINC001235910345 979200026 /nfs/dbraw/zinc/20/00/26/979200026.db2.gz FYEXBRFDYDGCMZ-ZIAGYGMSSA-N 1 3 249.333 1.161 20 0 BDADHO CC1(CN2C[C@H]3CC[C@@]3([NH3+])C2)CCOCC1 ZINC001235980867 979263754 /nfs/dbraw/zinc/26/37/54/979263754.db2.gz RYIFFDCKNHANHJ-DGCLKSJQSA-N 1 3 224.348 1.226 20 0 BDADHO CC/C=C\CCCCC[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206457966 979267952 /nfs/dbraw/zinc/26/79/52/979267952.db2.gz VYKBKDVGXDVYPI-KBIGUFJUSA-N 1 3 240.391 1.764 20 0 BDADHO CC/C=C\CCCCC[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206457966 979267970 /nfs/dbraw/zinc/26/79/70/979267970.db2.gz VYKBKDVGXDVYPI-KBIGUFJUSA-N 1 3 240.391 1.764 20 0 BDADHO Cc1cccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992783 979278078 /nfs/dbraw/zinc/27/80/78/979278078.db2.gz LSFIAROFTANLID-YIONKMFJSA-N 1 3 246.354 1.401 20 0 BDADHO C[C@@H]([NH3+])CN(C)CCN(C)Cc1ccccc1 ZINC001236308592 979512028 /nfs/dbraw/zinc/51/20/28/979512028.db2.gz UDHOVBNLJPJRSH-CYBMUJFWSA-N 1 3 235.375 1.397 20 0 BDADHO C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCC(C)(C)[NH3+] ZINC001341763631 979539319 /nfs/dbraw/zinc/53/93/19/979539319.db2.gz FYMKVHFTKRTYMZ-OUAUKWLOSA-N 1 3 241.379 1.101 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC001342124519 979670432 /nfs/dbraw/zinc/67/04/32/979670432.db2.gz JXOHXGJJUHUQEZ-ZYHUDNBSSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H]([NH3+])CN(C)Cc1cc2c[nH]ccc-2n1 ZINC001236903416 979786233 /nfs/dbraw/zinc/78/62/33/979786233.db2.gz CACFCCNSBKSQLC-VIFPVBQESA-N 1 3 218.304 1.342 20 0 BDADHO C[C@H]([NH3+])CN(C)Cc1cc2cnccc2[nH]1 ZINC001236903416 979786237 /nfs/dbraw/zinc/78/62/37/979786237.db2.gz CACFCCNSBKSQLC-VIFPVBQESA-N 1 3 218.304 1.342 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CC[NH3+] ZINC001236998063 979798914 /nfs/dbraw/zinc/79/89/14/979798914.db2.gz BRPOUAIOXRZNQO-ZIAGYGMSSA-N 1 3 247.386 1.540 20 0 BDADHO C[C@]1([NH3+])CCCN(Cc2ccc(=O)[nH]c2)CC1 ZINC001205263790 979813552 /nfs/dbraw/zinc/81/35/52/979813552.db2.gz CBNFXSHLRPHGML-ZDUSSCGKSA-N 1 3 235.331 1.491 20 0 BDADHO C1=C2NCCN(CC[C@@H]3CCCC[NH2+]3)[C@@H]2CCC1 ZINC001237220501 979851695 /nfs/dbraw/zinc/85/16/95/979851695.db2.gz RQVJFZFKLINPCZ-DZGCQCFKSA-N 1 3 249.402 1.860 20 0 BDADHO C[NH+]1CCC2(CN(Cc3cccc(N)c3)C2)CC1 ZINC001237220702 979852061 /nfs/dbraw/zinc/85/20/61/979852061.db2.gz ZPKLXXMLTZDVQX-UHFFFAOYSA-N 1 3 245.370 1.796 20 0 BDADHO C1=C2NCCN(CC[C@H]3CCCC[NH2+]3)[C@@H]2CCC1 ZINC001237220503 979853020 /nfs/dbraw/zinc/85/30/20/979853020.db2.gz RQVJFZFKLINPCZ-UKRRQHHQSA-N 1 3 249.402 1.860 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001184387969 980060190 /nfs/dbraw/zinc/06/01/90/980060190.db2.gz OCCXOEJXKHLHGN-YNEHKIRRSA-N 1 3 210.365 1.962 20 0 BDADHO C[NH2+][C@@H](C)CCNCCC(C)(C)C(=O)OC ZINC001345103165 980551214 /nfs/dbraw/zinc/55/12/14/980551214.db2.gz DAEBEXYICCZNDN-JTQLQIEISA-N 1 3 230.352 1.163 20 0 BDADHO c1cc(CNC[C@H]2CCC[NH2+]CC2)no1 ZINC001580888031 981717813 /nfs/dbraw/zinc/71/78/13/981717813.db2.gz OYNQEFANIURFKZ-JTQLQIEISA-N 1 3 209.293 1.154 20 0 BDADHO Cc1nccn1CCCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001194519303 981819274 /nfs/dbraw/zinc/81/92/74/981819274.db2.gz LHSGYALMGYXQMA-KGLIPLIRSA-N 1 3 248.374 1.218 20 0 BDADHO Cc1nccn1CCCN1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001194519303 981819276 /nfs/dbraw/zinc/81/92/76/981819276.db2.gz LHSGYALMGYXQMA-KGLIPLIRSA-N 1 3 248.374 1.218 20 0 BDADHO NCc1cccc(C=C2CC[NH2+]CC2)n1 ZINC001240873349 981912985 /nfs/dbraw/zinc/91/29/85/981912985.db2.gz BARCHSBGUSAXDT-UHFFFAOYSA-N 1 3 203.289 1.307 20 0 BDADHO CN1CC=C(c2ccccc2CC[NH3+])CC1 ZINC001241327706 982487645 /nfs/dbraw/zinc/48/76/45/982487645.db2.gz PJEOOPIEVYHNLY-UHFFFAOYSA-N 1 3 216.328 1.907 20 0 BDADHO CC(C)([NH3+])CCNC(=O)c1cccc2c1CNC2 ZINC001353125852 982706255 /nfs/dbraw/zinc/70/62/55/982706255.db2.gz JGQCGRQMCNLCIM-UHFFFAOYSA-N 1 3 247.342 1.147 20 0 BDADHO Cn1ccnc1Nc1ccc(C[NH3+])cc1 ZINC000082639201 983133979 /nfs/dbraw/zinc/13/39/79/983133979.db2.gz PUAAARJNDPCKOV-UHFFFAOYSA-N 1 3 202.261 1.622 20 0 BDADHO [NH3+][C@@H](CC(=O)Nc1cccc2c1CNC2)C1CC1 ZINC001354661167 983339400 /nfs/dbraw/zinc/33/94/00/983339400.db2.gz SUNHOCYZUQQUSU-LBPRGKRZSA-N 1 3 245.326 1.356 20 0 BDADHO [NH3+]C1(CC(=O)Nc2cccc3c2CNC3)CC1 ZINC001358060357 983821552 /nfs/dbraw/zinc/82/15/52/983821552.db2.gz WIDKMDYTHDNZNR-UHFFFAOYSA-N 1 3 231.299 1.110 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCCC[C@]12CCOC2 ZINC001574799655 984116992 /nfs/dbraw/zinc/11/69/92/984116992.db2.gz FHXHCMHTUDSGER-CHWSQXEVSA-N 1 3 224.348 1.241 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001575470413 984126701 /nfs/dbraw/zinc/12/67/01/984126701.db2.gz AAOOBKZMNKPUCF-OUAUKWLOSA-N 1 3 214.353 1.109 20 0 BDADHO C[C@H](O)[C@H](C)[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001576261775 984157616 /nfs/dbraw/zinc/15/76/16/984157616.db2.gz AXDLPMVBRMZZNJ-WUHRBBMRSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@H](O)[C@H](C)[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001576261775 984157624 /nfs/dbraw/zinc/15/76/24/984157624.db2.gz AXDLPMVBRMZZNJ-WUHRBBMRSA-N 1 3 226.364 1.207 20 0 BDADHO CCC[C@H](CCO)[NH2+]CC(C)(C)CN ZINC001577358162 984193847 /nfs/dbraw/zinc/19/38/47/984193847.db2.gz RVVYESONVSKWFT-SNVBAGLBSA-N 1 3 202.342 1.112 20 0 BDADHO CN1CCCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001578528757 984217259 /nfs/dbraw/zinc/21/72/59/984217259.db2.gz KZKWWBDBEXAYQQ-STQMWFEESA-N 1 3 237.391 1.345 20 0 BDADHO COCC[C@@H]([NH3+])CN[C@@H]1C[C@H]1CC(C)C ZINC001579004108 984244684 /nfs/dbraw/zinc/24/46/84/984244684.db2.gz PQWVSBLYXYMJPM-IJLUTSLNSA-N 1 3 214.353 1.374 20 0 BDADHO CO[C@]1(C)CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC001578924961 984232526 /nfs/dbraw/zinc/23/25/26/984232526.db2.gz WGJODFXKBNNELH-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@]1(C)CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC001578924961 984232535 /nfs/dbraw/zinc/23/25/35/984232535.db2.gz WGJODFXKBNNELH-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)CCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001275103247 984488137 /nfs/dbraw/zinc/48/81/37/984488137.db2.gz YTSMIXAZBMXGFD-UHFFFAOYSA-N 1 3 239.407 1.354 20 0 BDADHO CC(C)C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001275459484 984569158 /nfs/dbraw/zinc/56/91/58/984569158.db2.gz QGAHRCZVJNIARG-LBPRGKRZSA-N 1 3 243.395 1.077 20 0 BDADHO CCN(CCC(=O)OC)C[C@@H]1CCCC[NH2+]C1 ZINC001577710930 984649030 /nfs/dbraw/zinc/64/90/30/984649030.db2.gz JFBNPJQLHAGNDK-GFCCVEGCSA-N 1 3 242.363 1.261 20 0 BDADHO CC[N@H+](CCSC)C[C@H](N)CCOC ZINC001577728839 984699087 /nfs/dbraw/zinc/69/90/87/984699087.db2.gz SGDJQTGWUXAVGO-SNVBAGLBSA-N 1 3 220.382 1.035 20 0 BDADHO CC[N@@H+](CCSC)C[C@H](N)CCOC ZINC001577728839 984699149 /nfs/dbraw/zinc/69/91/49/984699149.db2.gz SGDJQTGWUXAVGO-SNVBAGLBSA-N 1 3 220.382 1.035 20 0 BDADHO CCN1CCCC[C@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001577770149 984746990 /nfs/dbraw/zinc/74/69/90/984746990.db2.gz APHZKYSDULZAKS-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC1(CN)CCC1 ZINC001577908433 984814962 /nfs/dbraw/zinc/81/49/62/984814962.db2.gz IVEATRGMRUTVPU-WDEREUQCSA-N 1 3 242.363 1.293 20 0 BDADHO CCO[C@@H](CN[C@@H](C[NH3+])C1CC1)C1CC1 ZINC001578075191 984838278 /nfs/dbraw/zinc/83/82/78/984838278.db2.gz GNFCSOHAPFGVOR-RYUDHWBXSA-N 1 3 212.337 1.128 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2)C12CCC2 ZINC001578093316 984845520 /nfs/dbraw/zinc/84/55/20/984845520.db2.gz HDSMTMLGRSTAET-SDDRHHMPSA-N 1 3 224.348 1.286 20 0 BDADHO CCOC1CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578097743 984847811 /nfs/dbraw/zinc/84/78/11/984847811.db2.gz ITJMPHXMRPBLEQ-CIWCUSHGSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]C[C@H](CN)C(C)C)C1 ZINC001578161853 984864230 /nfs/dbraw/zinc/86/42/30/984864230.db2.gz ZHEAATIOQCAZPE-SDDRHHMPSA-N 1 3 214.353 1.374 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CC2(CN)CCC2)C1 ZINC001578161828 984865227 /nfs/dbraw/zinc/86/52/27/984865227.db2.gz XPEZCRMXDBAIHR-PHIMTYICSA-N 1 3 212.337 1.273 20 0 BDADHO CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCC[C@H]1O ZINC001578445670 985078370 /nfs/dbraw/zinc/07/83/70/985078370.db2.gz SCYAIONXHBTXQN-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO CN(Cc1c(C[NH3+])cnn1C)C[C@H]1CC1(C)C ZINC001578486383 985111575 /nfs/dbraw/zinc/11/15/75/985111575.db2.gz OPYGJXIMMYAXQP-LLVKDONJSA-N 1 3 236.363 1.357 20 0 BDADHO CN1CC[C@H]1C[NH2+]C[C@H](N)CCC(C)(C)C ZINC001578526062 985152348 /nfs/dbraw/zinc/15/23/48/985152348.db2.gz YMZOVWOAICALTI-NEPJUHHUSA-N 1 3 227.396 1.434 20 0 BDADHO CN1CC[C@H]1CNC[C@H]([NH3+])CCC(C)(C)C ZINC001578526062 985152357 /nfs/dbraw/zinc/15/23/57/985152357.db2.gz YMZOVWOAICALTI-NEPJUHHUSA-N 1 3 227.396 1.434 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622343 985234295 /nfs/dbraw/zinc/23/42/95/985234295.db2.gz SCGWUHOIHVAJQI-DGCLKSJQSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001578622343 985234306 /nfs/dbraw/zinc/23/43/06/985234306.db2.gz SCGWUHOIHVAJQI-DGCLKSJQSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@H](O)C[NH2+][C@@H](C)C1CCCCCC1 ZINC001578654269 985271096 /nfs/dbraw/zinc/27/10/96/985271096.db2.gz LQQPSQAXBGGZSE-WCQYABFASA-N 1 3 228.380 1.515 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@]2(C)CCCCO2)C1 ZINC001578657302 985278060 /nfs/dbraw/zinc/27/80/60/985278060.db2.gz UVANSRMGNNFYOJ-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1COC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000688026150 985501138 /nfs/dbraw/zinc/50/11/38/985501138.db2.gz UHCYQBWLRGKUTH-AAEUAGOBSA-N 1 3 240.391 1.874 20 0 BDADHO C(=C/C1CC[NH2+]CC1)\c1cc2c(nn1)CCNC2 ZINC001243892180 985552562 /nfs/dbraw/zinc/55/25/62/985552562.db2.gz HKXYEVUIAJLUPS-OWOJBTEDSA-N 1 3 244.342 1.135 20 0 BDADHO C[C@H]([NH3+])c1ccc(C2=CNCCC2)cn1 ZINC001243953878 985665082 /nfs/dbraw/zinc/66/50/82/985665082.db2.gz NYKGIGGWTYOMDG-VIFPVBQESA-N 1 3 203.289 1.826 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H](CO)C(C)(C)C ZINC001579454503 985941862 /nfs/dbraw/zinc/94/18/62/985941862.db2.gz HSIOMQXYYWYYHI-WOPDTQHZSA-N 1 3 228.380 1.181 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C2(O)CC2)CC1 ZINC001579454422 985942939 /nfs/dbraw/zinc/94/29/39/985942939.db2.gz AYPPHUMSWSKPAL-NEPJUHHUSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@H]1NCC[C@@H]1[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001579504953 986044116 /nfs/dbraw/zinc/04/41/16/986044116.db2.gz ACYRLRVHXHFROW-LZRJYULZSA-N 1 3 236.359 1.140 20 0 BDADHO Cc1ccc(C[C@@H](C)NC[C@@]2(O)CC[NH2+]C2)cc1 ZINC001579684736 986178849 /nfs/dbraw/zinc/17/88/49/986178849.db2.gz QVSKFKBDVYEDMW-UKRRQHHQSA-N 1 3 248.370 1.240 20 0 BDADHO C[N@H+]1C[C@H]2CN(C[C@]3(C)CCCCO3)C[C@H]2C1 ZINC001462170542 986300633 /nfs/dbraw/zinc/30/06/33/986300633.db2.gz KKRVRYAYERQCMB-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1C[C@H]2CN(C[C@]3(C)CCCCO3)C[C@H]2C1 ZINC001462170542 986300640 /nfs/dbraw/zinc/30/06/40/986300640.db2.gz KKRVRYAYERQCMB-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001462671024 986498253 /nfs/dbraw/zinc/49/82/53/986498253.db2.gz QHUVCKWZPVOITE-MHDGFBEUSA-N 1 3 249.358 1.535 20 0 BDADHO NC[C@]12C[N@H+](CC3(O)CCC3)C[C@@H]1CCCC2 ZINC001580256242 986711833 /nfs/dbraw/zinc/71/18/33/986711833.db2.gz RUBJXMIZFPVOGP-QWHCGFSZSA-N 1 3 238.375 1.352 20 0 BDADHO NC[C@]12C[N@@H+](CC3(O)CCC3)C[C@@H]1CCCC2 ZINC001580256242 986711848 /nfs/dbraw/zinc/71/18/48/986711848.db2.gz RUBJXMIZFPVOGP-QWHCGFSZSA-N 1 3 238.375 1.352 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC001580423461 986842740 /nfs/dbraw/zinc/84/27/40/986842740.db2.gz ZVBSIZKSABESJT-BBBLOLIVSA-N 1 3 200.351 1.351 20 0 BDADHO CCC[C@H](O)CNC[C@H]1CCC[NH2+][C@H]1C ZINC001245981546 987256570 /nfs/dbraw/zinc/25/65/70/987256570.db2.gz HZPXYOZOVRYYHB-TUAOUCFPSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001245999630 987279748 /nfs/dbraw/zinc/27/97/48/987279748.db2.gz BGEMCXJPSULUQZ-NEPJUHHUSA-N 1 3 226.295 1.186 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001246006824 987286083 /nfs/dbraw/zinc/28/60/83/987286083.db2.gz VTMDDZFPUQAQAC-BXKDBHETSA-N 1 3 244.285 1.325 20 0 BDADHO C[C@]1([NH3+])CCCN(C[C@H](O)c2ccccc2)CC1 ZINC001246022919 987313768 /nfs/dbraw/zinc/31/37/68/987313768.db2.gz QYFVLABNFKUADZ-GJZGRUSLSA-N 1 3 248.370 1.923 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCC2SCCS2)C1 ZINC000693776855 987314857 /nfs/dbraw/zinc/31/48/57/987314857.db2.gz KSGYPEGHWXIEOE-JTQLQIEISA-N 1 3 246.445 1.724 20 0 BDADHO CCOC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000697089091 987351998 /nfs/dbraw/zinc/35/19/98/987351998.db2.gz UUHPXBKTPIIDCO-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCNCC2)C1 ZINC001246077860 987369167 /nfs/dbraw/zinc/36/91/67/987369167.db2.gz LBWAGTBCVGGOER-CMPLNLGQSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)[C@H]1CC[C@@H](NC2CC[NH2+]CC2)C1 ZINC001246077860 987369177 /nfs/dbraw/zinc/36/91/77/987369177.db2.gz LBWAGTBCVGGOER-CMPLNLGQSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CCN1 ZINC001246088227 987388642 /nfs/dbraw/zinc/38/86/42/987388642.db2.gz SPUUQGMZBAXMQM-QWRGUYRKSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2CCCOC2)C[NH2+]1 ZINC001246096882 987408594 /nfs/dbraw/zinc/40/85/94/987408594.db2.gz NGVXFUOHZUNREP-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([C@H](C)O)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001473379867 987409490 /nfs/dbraw/zinc/40/94/90/987409490.db2.gz NLQWWCTVDDKTRE-GRYCIOLGSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H]([C@H](C)O)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001473379867 987409520 /nfs/dbraw/zinc/40/95/20/987409520.db2.gz NLQWWCTVDDKTRE-GRYCIOLGSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H]([C@H](C)O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001473379867 987409527 /nfs/dbraw/zinc/40/95/27/987409527.db2.gz NLQWWCTVDDKTRE-GRYCIOLGSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104027 987428609 /nfs/dbraw/zinc/42/86/09/987428609.db2.gz ZOCLKUIIJNOBOH-UTUOFQBUSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1CCCOC1 ZINC001246111927 987444432 /nfs/dbraw/zinc/44/44/32/987444432.db2.gz PNJLWSRYSCTDFT-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO COC1CCC(NC[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246113320 987450502 /nfs/dbraw/zinc/45/05/02/987450502.db2.gz NRQAJKNHTAAMKO-ZIHBUVQPSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)OCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116072 987455718 /nfs/dbraw/zinc/45/57/18/987455718.db2.gz DKWDIJKLYITREK-FRRDWIJNSA-N 1 3 228.380 1.778 20 0 BDADHO CC[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC001246127671 987477839 /nfs/dbraw/zinc/47/78/39/987477839.db2.gz MDEAEKUMOUPLFY-SRVKXCTJSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@@H](Nc2cccc(F)c2CN)CC[NH2+]1 ZINC001246173829 987537032 /nfs/dbraw/zinc/53/70/32/987537032.db2.gz VTUTWHIRYGSFSZ-ZJUUUORDSA-N 1 3 237.322 1.837 20 0 BDADHO CCOC(=O)CC[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001246196981 987589455 /nfs/dbraw/zinc/58/94/55/987589455.db2.gz JDZUWFKZWZTOLT-NWDGAFQWSA-N 1 3 242.363 1.307 20 0 BDADHO O=C1C[C@H]2C[C@H]([NH2+]C[C@H]3CCCNC3)C[C@H]2C1 ZINC001246199694 987594952 /nfs/dbraw/zinc/59/49/52/987594952.db2.gz NCNNBMCEFZVGBI-WUHRBBMRSA-N 1 3 236.359 1.333 20 0 BDADHO CC(C)(O)CCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246302063 987697018 /nfs/dbraw/zinc/69/70/18/987697018.db2.gz VRIAICIUJOCZOJ-FOSCPWQOSA-N 1 3 226.364 1.410 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1Cc2ccc(OC)cc2C1 ZINC001246312694 987717787 /nfs/dbraw/zinc/71/77/87/987717787.db2.gz GYGTZZAIGQNBNU-STQMWFEESA-N 1 3 234.343 1.489 20 0 BDADHO CCCc1cc(CN)nn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246318715 987723297 /nfs/dbraw/zinc/72/32/97/987723297.db2.gz BRTAPVQBLLLCKN-BVUQATHDSA-N 1 3 248.374 1.750 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246320940 987728272 /nfs/dbraw/zinc/72/82/72/987728272.db2.gz LSEHPBGNNYNAMD-GXFFZTMASA-N 1 3 236.363 1.607 20 0 BDADHO C[C@@H]1CC[C@@H](Nc2ccc(CN)nc2)C[NH2+]1 ZINC001246328502 987733889 /nfs/dbraw/zinc/73/38/89/987733889.db2.gz YIPBYUJYJJZBNO-MWLCHTKSSA-N 1 3 220.320 1.093 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCC(O)CC2)CCN1 ZINC001246336607 987745777 /nfs/dbraw/zinc/74/57/77/987745777.db2.gz PRQUSJAVRUQCHJ-ZIHBUVQPSA-N 1 3 240.391 1.658 20 0 BDADHO COC(=O)CCCC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246357418 987765744 /nfs/dbraw/zinc/76/57/44/987765744.db2.gz UJFDHWXZJUWMEZ-GHMZBOCLSA-N 1 3 228.336 1.060 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CC2(c3cnccn3)CC2)CN1 ZINC001246388947 987780585 /nfs/dbraw/zinc/78/05/85/987780585.db2.gz NWWGXYBOVBOKID-VXGBXAGGSA-N 1 3 246.358 1.238 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+][C@H]2CC23CNC3)c1 ZINC001246447762 987807056 /nfs/dbraw/zinc/80/70/56/987807056.db2.gz WPGSPWDZGAMVAB-FZMZJTMJSA-N 1 3 246.354 1.578 20 0 BDADHO C[C@H]1C[C@H](NC2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447724 987807411 /nfs/dbraw/zinc/80/74/11/987807411.db2.gz QVBFWWDGNCLBRL-GXTWGEPZSA-N 1 3 245.370 1.887 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246454031 987808269 /nfs/dbraw/zinc/80/82/69/987808269.db2.gz BXLPBDGIAYMQSM-NAWOPXAZSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CCN1 ZINC001246463608 987823625 /nfs/dbraw/zinc/82/36/25/987823625.db2.gz WHHQZHCCVORYSN-RNJOBUHISA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@@]23CCCOC3)CC[NH2+]1 ZINC001246465287 987824097 /nfs/dbraw/zinc/82/40/97/987824097.db2.gz MEEGETHMIJQWQW-FVCCEPFGSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]23CCCOC3)CCN1 ZINC001246465287 987824100 /nfs/dbraw/zinc/82/41/00/987824100.db2.gz MEEGETHMIJQWQW-FVCCEPFGSA-N 1 3 224.348 1.286 20 0 BDADHO [NH3+][C@@H]1CCCC[C@@H]1N[C@H]1CCSC1 ZINC001246475345 987832081 /nfs/dbraw/zinc/83/20/81/987832081.db2.gz FZMBMJOCUMIKPQ-AEJSXWLSSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@H]1C[C@H](NC[C@@H]2Cc3ccccc3CN2)C[NH2+]1 ZINC001246504921 987859986 /nfs/dbraw/zinc/85/99/86/987859986.db2.gz GPKNZODMKIPFGV-CQDKDKBSSA-N 1 3 245.370 1.041 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCO1 ZINC001246522567 987873139 /nfs/dbraw/zinc/87/31/39/987873139.db2.gz DEOYSYIDAHYXJM-BJDJZHNGSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)[C@@H]1CCCO1 ZINC001246522567 987873141 /nfs/dbraw/zinc/87/31/41/987873141.db2.gz DEOYSYIDAHYXJM-BJDJZHNGSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@]1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246526402 987879528 /nfs/dbraw/zinc/87/95/28/987879528.db2.gz BLGNPDQRYCWQNX-YATPEIPISA-N 1 3 210.321 1.120 20 0 BDADHO CCC[N@H+](CCOC)[C@H]1CCN[C@H](C)C1 ZINC001246530922 987885500 /nfs/dbraw/zinc/88/55/00/987885500.db2.gz QKQLHFKBUFGZPQ-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)COCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246532583 987889961 /nfs/dbraw/zinc/88/99/61/987889961.db2.gz WXGCMHZESMLCNS-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246532583 987889967 /nfs/dbraw/zinc/88/99/67/987889967.db2.gz WXGCMHZESMLCNS-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N1[C@@H]1CCSC1 ZINC001246536679 987894464 /nfs/dbraw/zinc/89/44/64/987894464.db2.gz BHJGFLHLQHJCMU-LPEHRKFASA-N 1 3 200.351 1.304 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C1C[C@H]2CC[C@@H](C1)O2 ZINC001246543807 987912662 /nfs/dbraw/zinc/91/26/62/987912662.db2.gz OBNWRYLMWJVUKR-RIEIUKCASA-N 1 3 210.321 1.118 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH2+]C)C12CCC2 ZINC001118121218 988018142 /nfs/dbraw/zinc/01/81/42/988018142.db2.gz CBNSEXAHTMQRII-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO COC(=O)CN(CC(C)C)CC1CC[NH2+]CC1 ZINC001118179599 988074660 /nfs/dbraw/zinc/07/46/60/988074660.db2.gz ZMDSDKLPODAPOS-UHFFFAOYSA-N 1 3 242.363 1.117 20 0 BDADHO CCCCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582407 988111637 /nfs/dbraw/zinc/11/16/37/988111637.db2.gz XQTIKJSSXCLNDE-WOPDTQHZSA-N 1 3 214.353 1.207 20 0 BDADHO CCCCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582407 988111652 /nfs/dbraw/zinc/11/16/52/988111652.db2.gz XQTIKJSSXCLNDE-WOPDTQHZSA-N 1 3 214.353 1.207 20 0 BDADHO CCCCC[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585291 988130795 /nfs/dbraw/zinc/13/07/95/988130795.db2.gz NHCKIKKIRRWEGH-YNEHKIRRSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585291 988130801 /nfs/dbraw/zinc/13/08/01/988130801.db2.gz NHCKIKKIRRWEGH-YNEHKIRRSA-N 1 3 228.380 1.597 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586171 988131215 /nfs/dbraw/zinc/13/12/15/988131215.db2.gz RGSBJDUSWQZTGG-VOAKCMCISA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586171 988131234 /nfs/dbraw/zinc/13/12/34/988131234.db2.gz RGSBJDUSWQZTGG-VOAKCMCISA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC(C)(C)C[C@]2(C)CO)CCN1 ZINC001246588099 988156907 /nfs/dbraw/zinc/15/69/07/988156907.db2.gz JHEFWSRSBLQCKY-MBNYWOFBSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC(C)(C)C[C@]2(C)CO)CCN1 ZINC001246588099 988156924 /nfs/dbraw/zinc/15/69/24/988156924.db2.gz JHEFWSRSBLQCKY-MBNYWOFBSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CCN1 ZINC001246593018 988175899 /nfs/dbraw/zinc/17/58/99/988175899.db2.gz RJPDQIQJFHSFCG-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CCN1 ZINC001246593018 988175911 /nfs/dbraw/zinc/17/59/11/988175911.db2.gz RJPDQIQJFHSFCG-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO CCC[C@H](C)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246619609 988269735 /nfs/dbraw/zinc/26/97/35/988269735.db2.gz SKWXPOJQZYXCIP-AVGNSLFASA-N 1 3 225.380 1.201 20 0 BDADHO CCC[C@H](C)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246619609 988269748 /nfs/dbraw/zinc/26/97/48/988269748.db2.gz SKWXPOJQZYXCIP-AVGNSLFASA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@@H]1CC[C@@H](N2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638305 988336511 /nfs/dbraw/zinc/33/65/11/988336511.db2.gz RTCRUKWZFLVFPA-MCIONIFRSA-N 1 3 237.391 1.202 20 0 BDADHO CC[C@@H]1CC[C@H](N2CCN[C@]3(CC[NH2+]C3)C2)C1 ZINC001246638310 988340587 /nfs/dbraw/zinc/34/05/87/988340587.db2.gz RTCRUKWZFLVFPA-RDBSUJKOSA-N 1 3 237.391 1.202 20 0 BDADHO CCC[NH2+]CC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001497269035 988368756 /nfs/dbraw/zinc/36/87/56/988368756.db2.gz SUECAZSZMROWEY-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO COCC[C@@H]1CCCC[N@@H+]1C1CCNCC1 ZINC001246788594 988468799 /nfs/dbraw/zinc/46/87/99/988468799.db2.gz UKNVZYIHQXCSRK-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO COCC[C@@H]1CCCC[N@H+]1C1CCNCC1 ZINC001246788594 988468807 /nfs/dbraw/zinc/46/88/07/988468807.db2.gz UKNVZYIHQXCSRK-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO c1ccc(C[C@@H]2CCCN2C2CC[NH2+]CC2)nc1 ZINC001246802093 988483590 /nfs/dbraw/zinc/48/35/90/988483590.db2.gz JFVTVZAIHPCIFO-HNNXBMFYSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(C[C@@H]2CCC[N@@H+]2C2CCNCC2)nc1 ZINC001246802093 988483596 /nfs/dbraw/zinc/48/35/96/988483596.db2.gz JFVTVZAIHPCIFO-HNNXBMFYSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(C[C@@H]2CCC[N@H+]2C2CCNCC2)nc1 ZINC001246802093 988483603 /nfs/dbraw/zinc/48/36/03/988483603.db2.gz JFVTVZAIHPCIFO-HNNXBMFYSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc([C@H]2CN([C@H]3CCC[NH2+]C3)CCN2)cc1 ZINC001246827970 988514080 /nfs/dbraw/zinc/51/40/80/988514080.db2.gz PBTQHMGLNJYFCU-LSDHHAIUSA-N 1 3 245.370 1.385 20 0 BDADHO C1[NH2+]CC12C[C@H](N1C3CCCC1CCC3)CCN2 ZINC001246906668 988681972 /nfs/dbraw/zinc/68/19/72/988681972.db2.gz RNHYFRZZVJUHQR-JXQTWKCFSA-N 1 3 249.402 1.487 20 0 BDADHO CC(C)N1CCN([C@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980770 988809687 /nfs/dbraw/zinc/80/96/87/988809687.db2.gz SMYFBYCJTRUOMJ-IHRRRGAJSA-N 1 3 239.407 1.541 20 0 BDADHO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001247000382 988832096 /nfs/dbraw/zinc/83/20/96/988832096.db2.gz ICXCBLVSZAKXHT-NQBHXWOUSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001247000382 988832104 /nfs/dbraw/zinc/83/21/04/988832104.db2.gz ICXCBLVSZAKXHT-NQBHXWOUSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000382 988832105 /nfs/dbraw/zinc/83/21/05/988832105.db2.gz ICXCBLVSZAKXHT-NQBHXWOUSA-N 1 3 240.347 1.012 20 0 BDADHO C[C@@H](N)C[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC001119607235 989233279 /nfs/dbraw/zinc/23/32/79/989233279.db2.gz ZGZDMSOQPQRPBT-MNOVXSKESA-N 1 3 214.353 1.613 20 0 BDADHO C[C@@H](N)C[N@H+]1CCC[C@H]1COC(C)(C)C ZINC001119607235 989233291 /nfs/dbraw/zinc/23/32/91/989233291.db2.gz ZGZDMSOQPQRPBT-MNOVXSKESA-N 1 3 214.353 1.613 20 0 BDADHO C[C@@H](NCCc1ccc(N(C)C)cc1)C1C[NH2+]C1 ZINC001326458792 989569507 /nfs/dbraw/zinc/56/95/07/989569507.db2.gz KRUDHKNIZKABGC-GFCCVEGCSA-N 1 3 247.386 1.493 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c[nH]cn3)C[C@H]2C1 ZINC001120072145 989587704 /nfs/dbraw/zinc/58/77/04/989587704.db2.gz RSUBSCMTIFAMAF-OUCADQQQSA-N 1 3 248.374 1.572 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC001326688534 989652112 /nfs/dbraw/zinc/65/21/12/989652112.db2.gz SOBVYCRYRQUVEM-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)C[N@H+](C)CCCNCC1(O)CCC1 ZINC001120503570 989688858 /nfs/dbraw/zinc/68/88/58/989688858.db2.gz UHPYLKMIRRVRJB-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)C[N@@H+](C)CCCNCC1(O)CCC1 ZINC001120503570 989688863 /nfs/dbraw/zinc/68/88/63/989688863.db2.gz UHPYLKMIRRVRJB-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)[N@H+](C)CCCNC[C@@H](O)C1CC1 ZINC001120569578 989739747 /nfs/dbraw/zinc/73/97/47/989739747.db2.gz BYNJXMYVYAFRPT-GFCCVEGCSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+](C)CCCNC[C@@H](O)C1CC1 ZINC001120569578 989739753 /nfs/dbraw/zinc/73/97/53/989739753.db2.gz BYNJXMYVYAFRPT-GFCCVEGCSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)N(C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC001120569578 989739757 /nfs/dbraw/zinc/73/97/57/989739757.db2.gz BYNJXMYVYAFRPT-GFCCVEGCSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@H+](CCCN)[C@H](C)CCC(=O)OC ZINC001258346342 991271565 /nfs/dbraw/zinc/27/15/65/991271565.db2.gz BXKCOSMCJKDURY-LLVKDONJSA-N 1 3 230.352 1.389 20 0 BDADHO CCC[N@@H+](CCCN)[C@H](C)CCC(=O)OC ZINC001258346342 991271580 /nfs/dbraw/zinc/27/15/80/991271580.db2.gz BXKCOSMCJKDURY-LLVKDONJSA-N 1 3 230.352 1.389 20 0 BDADHO CCOC(=O)CC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001258483440 991452570 /nfs/dbraw/zinc/45/25/70/991452570.db2.gz HUGDJRZSIQVFJH-SRVKXCTJSA-N 1 3 242.363 1.578 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]C(C)C)N(C)C ZINC001320606430 992270513 /nfs/dbraw/zinc/27/05/13/992270513.db2.gz GLHANLGRHPSRFP-VXGBXAGGSA-N 1 3 243.395 1.219 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001262008497 992593366 /nfs/dbraw/zinc/59/33/66/992593366.db2.gz OOKAOYVHTSNLJH-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO COCC1(CN[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC001573974154 992784153 /nfs/dbraw/zinc/78/41/53/992784153.db2.gz IEYOZLXSQRZKGQ-CYBMUJFWSA-N 1 3 240.391 1.925 20 0 BDADHO CC[C@H](O)CN[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001262576205 992932523 /nfs/dbraw/zinc/93/25/23/992932523.db2.gz JVJCZMPYKZCVCQ-DCAQKATOSA-N 1 3 214.353 1.076 20 0 BDADHO CC(C)(C)CC[C@@H](CO)[NH2+]CC1(CN)CC1 ZINC001575131803 992993076 /nfs/dbraw/zinc/99/30/76/992993076.db2.gz WUPWHYBFPCILEH-NSHDSACASA-N 1 3 228.380 1.502 20 0 BDADHO CC(C)(CN)C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC001575315702 993003493 /nfs/dbraw/zinc/00/34/93/993003493.db2.gz WITQPYYSELKLJL-GFCCVEGCSA-N 1 3 240.347 1.005 20 0 BDADHO CC(C)[C@@H]([NH2+]C1CC(N)C1)[C@@H](CO)C(C)C ZINC001575431621 993041036 /nfs/dbraw/zinc/04/10/36/993041036.db2.gz DGIZWPOESDXKJE-IFWUJCSASA-N 1 3 228.380 1.355 20 0 BDADHO CC(C)[C@H](CO)[C@@H]([NH2+]C1CC(N)C1)C(C)C ZINC001575431626 993042010 /nfs/dbraw/zinc/04/20/10/993042010.db2.gz DGIZWPOESDXKJE-TYUFSLCMSA-N 1 3 228.380 1.355 20 0 BDADHO CC(C)CC[C@H](CO)N[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC001575555331 993071965 /nfs/dbraw/zinc/07/19/65/993071965.db2.gz RMQHAEBXYDNTPP-BFHYXJOUSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H](CCc1ccccc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001575966925 993143502 /nfs/dbraw/zinc/14/35/02/993143502.db2.gz TUSPQBAYUUARKL-NWANDNLSSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H](CCn1cccn1)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 ZINC001575971470 993146015 /nfs/dbraw/zinc/14/60/15/993146015.db2.gz GAUDDOBPZOMGSY-NDBYEHHHSA-N 1 3 234.347 1.144 20 0 BDADHO C[C@H](Cc1cccc(F)c1)NCC1([NH3+])CC1 ZINC001576053013 993167279 /nfs/dbraw/zinc/16/72/79/993167279.db2.gz RASNXAUUWNAXOJ-SNVBAGLBSA-N 1 3 222.307 1.838 20 0 BDADHO C[C@@H](NC(C)(C)C[NH3+])[C@H]1CCCCO1 ZINC001576234348 993221824 /nfs/dbraw/zinc/22/18/24/993221824.db2.gz WCAFLTIWYIKDHS-NXEZZACHSA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)N1CC([NH2+][C@H]2CCCN(C)CC2)C1 ZINC000379228582 993232970 /nfs/dbraw/zinc/23/29/70/993232970.db2.gz YCEZQBIENSGRNM-LBPRGKRZSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@]1(CCCO)CCC[N@@H+]1CCCNC1CC1 ZINC001576500949 993321499 /nfs/dbraw/zinc/32/14/99/993321499.db2.gz ONFDWGTZUIVRSU-AWEZNQCLSA-N 1 3 240.391 1.756 20 0 BDADHO C[C@@]1(CCCO)CCC[N@H+]1CCCNC1CC1 ZINC001576500949 993321504 /nfs/dbraw/zinc/32/15/04/993321504.db2.gz ONFDWGTZUIVRSU-AWEZNQCLSA-N 1 3 240.391 1.756 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN(C)CC1CCC1 ZINC000381034163 993362600 /nfs/dbraw/zinc/36/26/00/993362600.db2.gz DWPNMDLAXPXXPY-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC[C@H]1CCCN1C ZINC001576750092 993415104 /nfs/dbraw/zinc/41/51/04/993415104.db2.gz VGOAHIBOAQYHEQ-XQHKEYJVSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@@H]1CN(C[C@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799780 993424892 /nfs/dbraw/zinc/42/48/92/993424892.db2.gz CNZPXQFCLVDGIT-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CN(CC23CC(C)(C2)OC3)CC[C@H]1[NH3+] ZINC001576801685 993429069 /nfs/dbraw/zinc/42/90/69/993429069.db2.gz SWVNYJYLQZXZOL-OKZRHMCRSA-N 1 3 224.348 1.225 20 0 BDADHO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC001576969362 993472312 /nfs/dbraw/zinc/47/23/12/993472312.db2.gz BJFUVWAGQMVUBF-UMSGYPCISA-N 1 3 240.391 1.643 20 0 BDADHO CC[C@H](C)C[C@@H](CO)[NH2+]CC1(CN)CC1 ZINC001576972545 993477443 /nfs/dbraw/zinc/47/74/43/993477443.db2.gz WAVPFNSPJUDPLW-QWRGUYRKSA-N 1 3 214.353 1.112 20 0 BDADHO CCC(CC)(CN)C[NH2+]CCC(C)(C)O ZINC001577051899 993489696 /nfs/dbraw/zinc/48/96/96/993489696.db2.gz FGRUBYZPAOHLMJ-UHFFFAOYSA-N 1 3 216.369 1.502 20 0 BDADHO CCC(CC)(CN)C[NH2+]C[C@H](O)C1CC1 ZINC001577051924 993490351 /nfs/dbraw/zinc/49/03/51/993490351.db2.gz GOZQBZBCHXMUMA-NSHDSACASA-N 1 3 214.353 1.112 20 0 BDADHO CC[C@@H]1CCN([C@@H]2C[NH2+]CC[C@]2(C)O)[C@H]1C ZINC001577262966 993570580 /nfs/dbraw/zinc/57/05/80/993570580.db2.gz NHFJWVRDXVHQLP-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)CN(C)C1CCC1 ZINC001577390795 993637919 /nfs/dbraw/zinc/63/79/19/993637919.db2.gz XIOSOYCAZNHEMU-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](C(=O)OC)N1CC[C@H](CC[NH3+])C1 ZINC001577387950 993638262 /nfs/dbraw/zinc/63/82/62/993638262.db2.gz CNOHTNBKUHXDFD-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CC[C@H]1CCCN1C[C@@H](O)C[NH+](CC)CC ZINC000390599917 993798805 /nfs/dbraw/zinc/79/88/05/993798805.db2.gz VQKCXHLYTQBIQH-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](CN)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000702217695 993971741 /nfs/dbraw/zinc/97/17/41/993971741.db2.gz XBJVYZZQRKFBSC-UTLUCORTSA-N 1 3 200.326 1.127 20 0 BDADHO CCOC(C)(C)CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000702665519 994031879 /nfs/dbraw/zinc/03/18/79/994031879.db2.gz YRGAJGOXYZUFFC-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)N(C)C ZINC001282413816 994231558 /nfs/dbraw/zinc/23/15/58/994231558.db2.gz TWHRGGUKBUPQQD-NWDGAFQWSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C(C)C)N(C)C ZINC001282413816 994231562 /nfs/dbraw/zinc/23/15/62/994231562.db2.gz TWHRGGUKBUPQQD-NWDGAFQWSA-N 1 3 243.395 1.172 20 0 BDADHO Cc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)nc(N)n1 ZINC001333601753 994484394 /nfs/dbraw/zinc/48/43/94/994484394.db2.gz JZQHQMCYQHPPPX-WDEREUQCSA-N 1 3 249.362 1.652 20 0 BDADHO C[NH+](C)[C@@H]1C[C@H](NCC2(O)CCC2)C12CCC2 ZINC001335531579 994806529 /nfs/dbraw/zinc/80/65/29/994806529.db2.gz VNGOLIKYORZWNK-NWDGAFQWSA-N 1 3 238.375 1.364 20 0 BDADHO C[NH+](C)CC1CCN(CC2=NOCC2)CC1 ZINC001307416420 995352199 /nfs/dbraw/zinc/35/21/99/995352199.db2.gz WJEGGGQXNLRMGD-UHFFFAOYSA-N 1 3 225.336 1.036 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000563201402 398146592 /nfs/dbraw/zinc/14/65/92/398146592.db2.gz UDIVDUDBZVDEGY-QJPTWQEYSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000563201402 398146595 /nfs/dbraw/zinc/14/65/95/398146595.db2.gz UDIVDUDBZVDEGY-QJPTWQEYSA-N 1 3 241.379 1.103 20 0 BDADHO CCO[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000161965703 538920207 /nfs/dbraw/zinc/92/02/07/538920207.db2.gz YMVWZCYQOGVULW-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CCO[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000161965703 538920209 /nfs/dbraw/zinc/92/02/09/538920209.db2.gz YMVWZCYQOGVULW-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@H]1COc2ccccc2C1 ZINC000415088464 398157832 /nfs/dbraw/zinc/15/78/32/398157832.db2.gz XNWNMAFJVVBENR-ZIAGYGMSSA-N 1 3 248.370 1.953 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000423019854 398161002 /nfs/dbraw/zinc/16/10/02/398161002.db2.gz XLUSTZMQCUQUIU-FRRDWIJNSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](N[C@@H](CO)CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000423023698 398163048 /nfs/dbraw/zinc/16/30/48/398163048.db2.gz KELJSRRPHJMFFE-IACUBPJLSA-N 1 3 240.391 1.515 20 0 BDADHO Cc1cncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000386208580 398199937 /nfs/dbraw/zinc/19/99/37/398199937.db2.gz MLAFOMVLRNNNHH-GASCZTMLSA-N 1 3 245.370 1.821 20 0 BDADHO Cc1cc(C)n(CCN[C@](C)(C[NH3+])C2CC2)n1 ZINC000649410448 398209501 /nfs/dbraw/zinc/20/95/01/398209501.db2.gz BLZWDYBBZPICFY-CYBMUJFWSA-N 1 3 236.363 1.217 20 0 BDADHO CC[C@@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000576450960 365598312 /nfs/dbraw/zinc/59/83/12/365598312.db2.gz KVQNRECUZOGDIA-CHWSQXEVSA-N 1 3 249.358 1.320 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000191895203 361778417 /nfs/dbraw/zinc/77/84/17/361778417.db2.gz VADRAAFRJVPMJX-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000191895203 361778418 /nfs/dbraw/zinc/77/84/18/361778418.db2.gz VADRAAFRJVPMJX-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCN1CCC[C@@H]1CN(C)C(=O)CC[C@@H](C)[NH3+] ZINC000092630085 398235498 /nfs/dbraw/zinc/23/54/98/398235498.db2.gz WNOFEWCRYPRBHQ-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017621 349524840 /nfs/dbraw/zinc/52/48/40/349524840.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 1 3 236.363 1.298 20 0 BDADHO C[C@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@H+]1C ZINC000162017621 349524842 /nfs/dbraw/zinc/52/48/42/349524842.db2.gz BHRVHZHDOJOYKJ-STQMWFEESA-N 1 3 236.363 1.298 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H](CO)Cc1ccccc1 ZINC000089150660 259308152 /nfs/dbraw/zinc/30/81/52/259308152.db2.gz AFJDUXITULVNIY-RBSFLKMASA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000089150660 259308154 /nfs/dbraw/zinc/30/81/54/259308154.db2.gz AFJDUXITULVNIY-RBSFLKMASA-N 1 3 248.370 1.307 20 0 BDADHO CC[C@H](C)[C@H](CNCCC[NH+](C)C)OC ZINC000381267028 398242371 /nfs/dbraw/zinc/24/23/71/398242371.db2.gz GNZJKDRBUSRXFK-RYUDHWBXSA-N 1 3 216.369 1.589 20 0 BDADHO C[NH2+]CCCN[C@@H](C)CCc1ccco1 ZINC000571669384 398243149 /nfs/dbraw/zinc/24/31/49/398243149.db2.gz JPSNTPNGZPNSLQ-NSHDSACASA-N 1 3 210.321 1.800 20 0 BDADHO CNCCC[NH2+][C@@H](C)CCc1ccco1 ZINC000571669384 398243152 /nfs/dbraw/zinc/24/31/52/398243152.db2.gz JPSNTPNGZPNSLQ-NSHDSACASA-N 1 3 210.321 1.800 20 0 BDADHO NCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576703093 365662542 /nfs/dbraw/zinc/66/25/42/365662542.db2.gz AMWOUYPHNRKBAS-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO NCCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576703093 365662550 /nfs/dbraw/zinc/66/25/50/365662550.db2.gz AMWOUYPHNRKBAS-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000576708097 365665424 /nfs/dbraw/zinc/66/54/24/365665424.db2.gz DKQLMQUQAIADNT-LOWDOPEQSA-N 1 3 228.380 1.371 20 0 BDADHO CC[NH2+]CCCN[C@H](C)Cc1ccoc1 ZINC000564722719 323007516 /nfs/dbraw/zinc/00/75/16/323007516.db2.gz QYYPTZVSPUVJPI-LLVKDONJSA-N 1 3 210.321 1.800 20 0 BDADHO CC[C@H](COC)NCCC[N@H+](C)C(C)C ZINC000166568530 361852780 /nfs/dbraw/zinc/85/27/80/361852780.db2.gz XZQRQOCCKRYUSJ-GFCCVEGCSA-N 1 3 216.369 1.731 20 0 BDADHO CC[C@H](COC)NCCC[N@@H+](C)C(C)C ZINC000166568530 361852782 /nfs/dbraw/zinc/85/27/82/361852782.db2.gz XZQRQOCCKRYUSJ-GFCCVEGCSA-N 1 3 216.369 1.731 20 0 BDADHO CC[C@H](COC)[NH2+]CCCN(C)C(C)C ZINC000166568530 361852785 /nfs/dbraw/zinc/85/27/85/361852785.db2.gz XZQRQOCCKRYUSJ-GFCCVEGCSA-N 1 3 216.369 1.731 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](C)OC)CC1 ZINC000167040566 361860229 /nfs/dbraw/zinc/86/02/29/361860229.db2.gz HCOYLQADBGGDFW-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040671748 538972481 /nfs/dbraw/zinc/97/24/81/538972481.db2.gz AAUUYEYZWOATCV-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCCN(C)C2)CC1 ZINC000040671748 538972482 /nfs/dbraw/zinc/97/24/82/538972482.db2.gz AAUUYEYZWOATCV-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO O[C@@H]1CCN(CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000624677783 342818004 /nfs/dbraw/zinc/81/80/04/342818004.db2.gz DVDGHOHNODCNHM-SNVBAGLBSA-N 1 3 246.314 1.041 20 0 BDADHO NC1(C(=O)Nc2ccc(C[NH3+])cc2)CCCC1 ZINC000335681658 398292874 /nfs/dbraw/zinc/29/28/74/398292874.db2.gz QSINVWKYCNZGMB-UHFFFAOYSA-N 1 3 233.315 1.355 20 0 BDADHO CCSCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767115 398302795 /nfs/dbraw/zinc/30/27/95/398302795.db2.gz JJZAOMFPFCVFCV-UWVGGRQHSA-N 1 3 202.367 1.409 20 0 BDADHO CCO[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000625166751 342898936 /nfs/dbraw/zinc/89/89/36/342898936.db2.gz LHXUCVRXDONLTH-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@@H](OCC)C1(C)C ZINC000233510838 342910050 /nfs/dbraw/zinc/91/00/50/342910050.db2.gz GOCJIGTUJLKIGF-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO CCCCCN1CCCO[C@H](C[NH3+])C1 ZINC000313357859 259334072 /nfs/dbraw/zinc/33/40/72/259334072.db2.gz UIAXMBSBHMBPRN-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000678081881 488192513 /nfs/dbraw/zinc/19/25/13/488192513.db2.gz GDVPCYAIGKKEQS-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000678081881 488192515 /nfs/dbraw/zinc/19/25/15/488192515.db2.gz GDVPCYAIGKKEQS-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000495259540 529573775 /nfs/dbraw/zinc/57/37/75/529573775.db2.gz APGXOXLCYNSNJG-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000495259540 529573778 /nfs/dbraw/zinc/57/37/78/529573778.db2.gz APGXOXLCYNSNJG-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CCC[C@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036872642 342992756 /nfs/dbraw/zinc/99/27/56/342992756.db2.gz XOOMUUQWABAWOQ-LBPRGKRZSA-N 1 3 243.395 1.349 20 0 BDADHO C[C@H]1CCOCC[N@@H+]1CCCN1CCCCC1 ZINC000162449190 349709915 /nfs/dbraw/zinc/70/99/15/349709915.db2.gz KHFURNXUZYBHTJ-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@H]1CCOCC[N@H+]1CCCN1CCCCC1 ZINC000162449190 349709916 /nfs/dbraw/zinc/70/99/16/349709916.db2.gz KHFURNXUZYBHTJ-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@H]1C[C@H]([NH3+])CCN1CCCc1ccncc1 ZINC000576834438 365698924 /nfs/dbraw/zinc/69/89/24/365698924.db2.gz LCCSOBDYMVZVSV-GXTWGEPZSA-N 1 3 233.359 1.826 20 0 BDADHO CCC[C@H](CCO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386485989 343068156 /nfs/dbraw/zinc/06/81/56/343068156.db2.gz SWYAAAPNFIXKBN-BFHYXJOUSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@]1(CO)CCCN1CCC[NH+]1CCCCC1 ZINC000119499437 343079174 /nfs/dbraw/zinc/07/91/74/343079174.db2.gz UVIRUDVVVRRNTH-AWEZNQCLSA-N 1 3 240.391 1.709 20 0 BDADHO CCN1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168734013 136269855 /nfs/dbraw/zinc/26/98/55/136269855.db2.gz WWOYQSKTVRKWQE-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284209 /nfs/dbraw/zinc/28/42/09/136284209.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284210 /nfs/dbraw/zinc/28/42/10/136284210.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284211 /nfs/dbraw/zinc/28/42/11/136284211.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CC(C)(C)O)CC[C@@H]21 ZINC000088091299 136284212 /nfs/dbraw/zinc/28/42/12/136284212.db2.gz GGQHODPQEGBCAE-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1CC[C@@H](C[N@H+](C2CC2)C2CCNCC2)O1 ZINC000634687388 343239804 /nfs/dbraw/zinc/23/98/04/343239804.db2.gz JKVBWSKMDPIKEP-FZMZJTMJSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H]1CC[C@@H](C[N@@H+](C2CC2)C2CCNCC2)O1 ZINC000634687388 343239806 /nfs/dbraw/zinc/23/98/06/343239806.db2.gz JKVBWSKMDPIKEP-FZMZJTMJSA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000070585082 136278562 /nfs/dbraw/zinc/27/85/62/136278562.db2.gz ANZKXSWTJPJAMV-GFCCVEGCSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042497 343331612 /nfs/dbraw/zinc/33/16/12/343331612.db2.gz RSMVYKSRMNYPGO-SECBINFHSA-N 1 3 221.304 1.034 20 0 BDADHO CCCCOCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166228020 136314346 /nfs/dbraw/zinc/31/43/46/136314346.db2.gz YUBOLZSXFJALAC-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO Cc1n[nH]cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000335688940 136324367 /nfs/dbraw/zinc/32/43/67/136324367.db2.gz QWFSPTDPNFQYJK-SECBINFHSA-N 1 3 222.336 1.277 20 0 BDADHO [NH3+]C[C@@H]1CCCN(Cc2cccc3c2NCC3)C1 ZINC000335712715 136337830 /nfs/dbraw/zinc/33/78/30/136337830.db2.gz KFDPMLVFYHRRED-LBPRGKRZSA-N 1 3 245.370 1.825 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](O)CC1 ZINC000335888782 136358168 /nfs/dbraw/zinc/35/81/68/136358168.db2.gz XVRYKUDFYAFNHO-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](O)CC1 ZINC000335888782 136358169 /nfs/dbraw/zinc/35/81/69/136358169.db2.gz XVRYKUDFYAFNHO-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO CCOCCN1CCCC[C@H]1CC[NH3+] ZINC000082601499 343454451 /nfs/dbraw/zinc/45/44/51/343454451.db2.gz RAXHYFAWKOJTJI-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400338075 529712190 /nfs/dbraw/zinc/71/21/90/529712190.db2.gz HYOCWSNXJRFILL-WYUUTHIRSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000379621690 343586117 /nfs/dbraw/zinc/58/61/17/343586117.db2.gz GFJWXSHIRCTXHE-UWVGGRQHSA-N 1 3 212.362 1.864 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)Cc1ccsc1 ZINC000379621690 343586118 /nfs/dbraw/zinc/58/61/18/343586118.db2.gz GFJWXSHIRCTXHE-UWVGGRQHSA-N 1 3 212.362 1.864 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]Cc1cccc(O)c1 ZINC000049553414 343602760 /nfs/dbraw/zinc/60/27/60/343602760.db2.gz UNYICFPHKIGHKR-LLVKDONJSA-N 1 3 222.332 1.822 20 0 BDADHO N[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000037719610 343783290 /nfs/dbraw/zinc/78/32/90/343783290.db2.gz ADIGYINMWINDIN-CYBMUJFWSA-N 1 3 204.317 1.652 20 0 BDADHO N[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000037719610 343783293 /nfs/dbraw/zinc/78/32/93/343783293.db2.gz ADIGYINMWINDIN-CYBMUJFWSA-N 1 3 204.317 1.652 20 0 BDADHO C1C[C@]2(CN1C1CC[NH2+]CC1)CCCCO2 ZINC000409431419 343823713 /nfs/dbraw/zinc/82/37/13/343823713.db2.gz SFSZXKRFQNOACU-ZDUSSCGKSA-N 1 3 224.348 1.383 20 0 BDADHO C1C[C@]2(C[N@@H+]1C1CCNCC1)CCCCO2 ZINC000409431419 343823715 /nfs/dbraw/zinc/82/37/15/343823715.db2.gz SFSZXKRFQNOACU-ZDUSSCGKSA-N 1 3 224.348 1.383 20 0 BDADHO C1C[C@]2(C[N@H+]1C1CCNCC1)CCCCO2 ZINC000409431419 343823718 /nfs/dbraw/zinc/82/37/18/343823718.db2.gz SFSZXKRFQNOACU-ZDUSSCGKSA-N 1 3 224.348 1.383 20 0 BDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511608050 529929821 /nfs/dbraw/zinc/92/98/21/529929821.db2.gz BBJDJFMQACOZJA-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO CN(CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511608050 529929822 /nfs/dbraw/zinc/92/98/22/529929822.db2.gz BBJDJFMQACOZJA-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[C@H](N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232320 362287980 /nfs/dbraw/zinc/28/79/80/362287980.db2.gz BTOWLNXTOTXKQX-NSHDSACASA-N 1 3 237.351 1.078 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732286 344107044 /nfs/dbraw/zinc/10/70/44/344107044.db2.gz CFCRNJQRPVZLGE-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000634733677 344114096 /nfs/dbraw/zinc/11/40/96/344114096.db2.gz KXYPYDSYXXIGAO-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@H](C)[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000131887806 344237507 /nfs/dbraw/zinc/23/75/07/344237507.db2.gz UOZKGEMYXMWWFF-WDEREUQCSA-N 1 3 216.369 1.587 20 0 BDADHO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000093215727 344312468 /nfs/dbraw/zinc/31/24/68/344312468.db2.gz PMHQSYSVHCCGRZ-CHWSQXEVSA-N 1 3 236.363 1.510 20 0 BDADHO CC(C)[NH2+]CCC(=O)NC[C@@H](N)c1ccccc1 ZINC000131826545 344334080 /nfs/dbraw/zinc/33/40/80/344334080.db2.gz LOMAASXCSMNCAK-CYBMUJFWSA-N 1 3 249.358 1.191 20 0 BDADHO COC(=O)CCCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000600699734 344359633 /nfs/dbraw/zinc/35/96/33/344359633.db2.gz CQNIZDPWNRHACN-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CC[NH+]1CCC(CNCc2cn[nH]c2)CC1 ZINC000381700348 344537597 /nfs/dbraw/zinc/53/75/97/344537597.db2.gz IHJHRJNRNYNYSF-UHFFFAOYSA-N 1 3 222.336 1.231 20 0 BDADHO C1CC([NH2+]C2CCSCC2)CCN1 ZINC000220683636 344567232 /nfs/dbraw/zinc/56/72/32/344567232.db2.gz JCJLQJCJBDIRDE-UHFFFAOYSA-N 1 3 200.351 1.224 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+]CCCCN1CCN(C)CC1 ZINC000583357553 344763102 /nfs/dbraw/zinc/76/31/02/344763102.db2.gz YSJSPQNRRKPCJB-KGLIPLIRSA-N 1 3 239.407 1.260 20 0 BDADHO CN(CCN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000583391709 344877647 /nfs/dbraw/zinc/87/76/47/344877647.db2.gz DLCODUPQGSQOCF-KGLIPLIRSA-N 1 3 247.386 1.982 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(CN)nc1C ZINC000578497196 344887474 /nfs/dbraw/zinc/88/74/74/344887474.db2.gz BDIWJIAFXYDEGC-DDTOSNHZSA-N 1 3 249.358 1.677 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000578497196 344887475 /nfs/dbraw/zinc/88/74/75/344887475.db2.gz BDIWJIAFXYDEGC-DDTOSNHZSA-N 1 3 249.358 1.677 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000578497198 344888211 /nfs/dbraw/zinc/88/82/11/344888211.db2.gz BDIWJIAFXYDEGC-LEWSCRJBSA-N 1 3 249.358 1.677 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)N(C)C ZINC000338970430 537872485 /nfs/dbraw/zinc/87/24/85/537872485.db2.gz SWNVKMDIXUOTFC-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000579342108 344951279 /nfs/dbraw/zinc/95/12/79/344951279.db2.gz YEKOBDYDZQHCNR-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000359594410 345090735 /nfs/dbraw/zinc/09/07/35/345090735.db2.gz UAIXQRHKPYCGPB-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000156555064 345175974 /nfs/dbraw/zinc/17/59/74/345175974.db2.gz JDNMREHDHUXTKN-SYQHCUMBSA-N 1 3 239.407 1.541 20 0 BDADHO CC(C)N1CCCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991594 345177973 /nfs/dbraw/zinc/17/79/73/345177973.db2.gz KHPLLHRZCSNTCL-UHFFFAOYSA-N 1 3 237.391 1.155 20 0 BDADHO CC(C)OCCC[NH2+]CC12CC(C1)CN2 ZINC000634995794 345185853 /nfs/dbraw/zinc/18/58/53/345185853.db2.gz PBYKDDOKQACREY-UHFFFAOYSA-N 1 3 212.337 1.143 20 0 BDADHO N[C@@H]1CCCCC[N@H+](CC2=CCCOC2)C1 ZINC000634997183 345194694 /nfs/dbraw/zinc/19/46/94/345194694.db2.gz FQCAPUVVJSXIES-CYBMUJFWSA-N 1 3 224.348 1.536 20 0 BDADHO N[C@@H]1CCCCC[N@@H+](CC2=CCCOC2)C1 ZINC000634997183 345194696 /nfs/dbraw/zinc/19/46/96/345194696.db2.gz FQCAPUVVJSXIES-CYBMUJFWSA-N 1 3 224.348 1.536 20 0 BDADHO C[C@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000634999232 345199314 /nfs/dbraw/zinc/19/93/14/345199314.db2.gz RJQPPFQZMXHFBB-SMDDNHRTSA-N 1 3 246.354 1.648 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000635003133 345205715 /nfs/dbraw/zinc/20/57/15/345205715.db2.gz GPAMMYMMYJWHPO-QJPTWQEYSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)(F)CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000635003802 345207184 /nfs/dbraw/zinc/20/71/84/345207184.db2.gz LTDHCCAOZIXOKF-UWVGGRQHSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000635004524 345207635 /nfs/dbraw/zinc/20/76/35/345207635.db2.gz IQOKZTVMCKJFSC-FBDQPXRJSA-N 1 3 200.326 1.268 20 0 BDADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccn(C)n1 ZINC000635006832 345211046 /nfs/dbraw/zinc/21/10/46/345211046.db2.gz TXAFBOUUTMWXFC-IJLUTSLNSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635011882 345213625 /nfs/dbraw/zinc/21/36/25/345213625.db2.gz PXACSZVVTSTCSF-AGIUHOORSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](CCCCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012608 345214515 /nfs/dbraw/zinc/21/45/15/345214515.db2.gz UMZVBXAUEHFWPJ-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO COC[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012719 345215010 /nfs/dbraw/zinc/21/50/10/345215010.db2.gz VKCMSLOWLVBRKI-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012719 345215012 /nfs/dbraw/zinc/21/50/12/345215012.db2.gz VKCMSLOWLVBRKI-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158553620 345347832 /nfs/dbraw/zinc/34/78/32/345347832.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158553620 345347836 /nfs/dbraw/zinc/34/78/36/345347836.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158553620 345347838 /nfs/dbraw/zinc/34/78/38/345347838.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158553620 345347841 /nfs/dbraw/zinc/34/78/41/345347841.db2.gz IPELLCJSXGBUQM-YNEHKIRRSA-N 1 3 226.364 1.437 20 0 BDADHO C[NH+](C)CCCCNCc1cnc(C2CC2)o1 ZINC000628210433 345811607 /nfs/dbraw/zinc/81/16/07/345811607.db2.gz XBSJIYYGFBABGI-UHFFFAOYSA-N 1 3 237.347 1.983 20 0 BDADHO Cc1ncc(CNCCC2CC[NH+](C)CC2)o1 ZINC000628214176 345888244 /nfs/dbraw/zinc/88/82/44/345888244.db2.gz NIAACOGRTPDQGA-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO CN1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000581377368 345942919 /nfs/dbraw/zinc/94/29/19/345942919.db2.gz ABKUUPOKQDCSDQ-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCN(CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000581377368 345942920 /nfs/dbraw/zinc/94/29/20/345942920.db2.gz ABKUUPOKQDCSDQ-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)N(C)CC(=O)N(C)CCCC[NH+](C)C ZINC000673839204 488309224 /nfs/dbraw/zinc/30/92/24/488309224.db2.gz CPPIKKONRWRBQN-UHFFFAOYSA-N 1 3 243.395 1.127 20 0 BDADHO CC[NH+](CC)CC[C@@H](CO)NCC(C)C ZINC000641770928 362708481 /nfs/dbraw/zinc/70/84/81/362708481.db2.gz ABBIUVGHXHUFMB-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO CC[C@@H](C)CN[C@H](CO)CC[NH+](CC)CC ZINC000641773664 362712762 /nfs/dbraw/zinc/71/27/62/362712762.db2.gz ZAXWPYRJICBPDS-OLZOCXBDSA-N 1 3 230.396 1.715 20 0 BDADHO CO[C@H](CC(C)C)CN1CC[C@H](C[NH+](C)C)C1 ZINC000419200961 192103038 /nfs/dbraw/zinc/10/30/38/192103038.db2.gz FCMFTEBRAKELNH-ZIAGYGMSSA-N 1 3 242.407 1.931 20 0 BDADHO Cc1cccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000090320631 179083934 /nfs/dbraw/zinc/08/39/34/179083934.db2.gz VLTOXGJKLZXXNQ-GASCZTMLSA-N 1 3 230.355 1.955 20 0 BDADHO C[C@H]1CCC[N@H+](CCc2cncn2C)[C@H]1CN ZINC000641797014 362741418 /nfs/dbraw/zinc/74/14/18/362741418.db2.gz PRTKKHPKGJFMNX-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1CCC[N@@H+](CCc2cncn2C)[C@H]1CN ZINC000641797014 362741422 /nfs/dbraw/zinc/74/14/22/362741422.db2.gz PRTKKHPKGJFMNX-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013729 349970967 /nfs/dbraw/zinc/97/09/67/349970967.db2.gz FLHPXKHEBATCSN-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCCOC2)C1 ZINC000070013729 349970969 /nfs/dbraw/zinc/97/09/69/349970969.db2.gz FLHPXKHEBATCSN-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCCOC2)C1 ZINC000070013729 349970971 /nfs/dbraw/zinc/97/09/71/349970971.db2.gz FLHPXKHEBATCSN-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300403434 346612184 /nfs/dbraw/zinc/61/21/84/346612184.db2.gz ZLYQDKGDMLIYBG-TUAOUCFPSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1cccc(OCC[NH2+][C@@H]2CCCNC2)c1 ZINC000043327666 179168036 /nfs/dbraw/zinc/16/80/36/179168036.db2.gz ARXIIZBLGQRTGF-CYBMUJFWSA-N 1 3 234.343 1.715 20 0 BDADHO FC(F)C1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000335616252 136741869 /nfs/dbraw/zinc/74/18/69/136741869.db2.gz UVMGXGGQUSNMKG-UDNWOFFPSA-N 1 3 218.291 1.762 20 0 BDADHO CCOC(=O)CCCC[N@H+](C)CCCN ZINC000592474260 347790652 /nfs/dbraw/zinc/79/06/52/347790652.db2.gz MYSCNUBZAADYOG-UHFFFAOYSA-N 1 3 216.325 1.000 20 0 BDADHO CCOC(=O)CCCC[N@@H+](C)CCCN ZINC000592474260 347790653 /nfs/dbraw/zinc/79/06/53/347790653.db2.gz MYSCNUBZAADYOG-UHFFFAOYSA-N 1 3 216.325 1.000 20 0 BDADHO CCOC(=O)CCCCN(C)CCC[NH3+] ZINC000592474260 347790654 /nfs/dbraw/zinc/79/06/54/347790654.db2.gz MYSCNUBZAADYOG-UHFFFAOYSA-N 1 3 216.325 1.000 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C[C@H]1C ZINC000252981188 347832868 /nfs/dbraw/zinc/83/28/68/347832868.db2.gz QAZVJORZQAIJIY-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C[C@H]1C ZINC000252981188 347832870 /nfs/dbraw/zinc/83/28/70/347832870.db2.gz QAZVJORZQAIJIY-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)CCCC[NH3+] ZINC000070202745 349977026 /nfs/dbraw/zinc/97/70/26/349977026.db2.gz MAKQYEDEQPFTJY-UHFFFAOYSA-N 1 3 243.395 1.162 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2COCC2(C)C)CC1 ZINC000313133195 187392797 /nfs/dbraw/zinc/39/27/97/187392797.db2.gz ZUOVZTCFFYNPCH-ZDUSSCGKSA-N 1 3 240.391 1.874 20 0 BDADHO CSCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000596648800 348604325 /nfs/dbraw/zinc/60/43/25/348604325.db2.gz AKSFACCISOQENG-ULKQDVFKSA-N 1 3 200.351 1.222 20 0 BDADHO CC[C@@H]1CN(C)CCN1CCC[NH+](CC)CC ZINC000518706637 538016852 /nfs/dbraw/zinc/01/68/52/538016852.db2.gz QTGPYOQACSCBLX-CQSZACIVSA-N 1 3 241.423 1.744 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCCO2)C1 ZINC000250816723 349180503 /nfs/dbraw/zinc/18/05/03/349180503.db2.gz FKBUMPCKCICVAL-IJLUTSLNSA-N 1 3 212.337 1.415 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250502139 349173930 /nfs/dbraw/zinc/17/39/30/349173930.db2.gz LTIRHYOKNSVPJE-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)CO[C@@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000082923083 349221688 /nfs/dbraw/zinc/22/16/88/349221688.db2.gz PFOQUZRKFXBZOO-NWDGAFQWSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000082923083 349221689 /nfs/dbraw/zinc/22/16/89/349221689.db2.gz PFOQUZRKFXBZOO-NWDGAFQWSA-N 1 3 228.380 1.765 20 0 BDADHO CCC[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000253019856 349226363 /nfs/dbraw/zinc/22/63/63/349226363.db2.gz JJQKOKQOVPDDHL-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H](c1cnccn1)N1CCC(CC[NH3+])CC1 ZINC000070480075 350014838 /nfs/dbraw/zinc/01/48/38/350014838.db2.gz JQLYRSDCZRFONJ-LLVKDONJSA-N 1 3 234.347 1.598 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000070656684 350039832 /nfs/dbraw/zinc/03/98/32/350039832.db2.gz WQNKMXCKBMGFDT-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H](COC)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000070656684 350039836 /nfs/dbraw/zinc/03/98/36/350039836.db2.gz WQNKMXCKBMGFDT-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H](COC)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000070656684 350039841 /nfs/dbraw/zinc/03/98/41/350039841.db2.gz WQNKMXCKBMGFDT-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)CN(C)C ZINC000623530245 362949617 /nfs/dbraw/zinc/94/96/17/362949617.db2.gz RIYNLJQEFPPHPT-CHWSQXEVSA-N 1 3 241.423 1.647 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000126372909 191083363 /nfs/dbraw/zinc/08/33/63/191083363.db2.gz SIAFUAWUGSZIKD-ZIAGYGMSSA-N 1 3 235.375 1.988 20 0 BDADHO CC(C)(C)[C@H](CO)[NH2+]CCCN1CCCC1 ZINC000309352579 350350771 /nfs/dbraw/zinc/35/07/71/350350771.db2.gz NFLSHIJBGZXNHO-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)(C)[C@H](CO)NCCC[NH+]1CCCC1 ZINC000309352579 350350773 /nfs/dbraw/zinc/35/07/73/350350773.db2.gz NFLSHIJBGZXNHO-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234458 191097181 /nfs/dbraw/zinc/09/71/81/191097181.db2.gz VBKYCHRLJVRKNW-JHJVBQTASA-N 1 3 240.416 1.956 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234458 191097185 /nfs/dbraw/zinc/09/71/85/191097185.db2.gz VBKYCHRLJVRKNW-JHJVBQTASA-N 1 3 240.416 1.956 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234458 191097188 /nfs/dbraw/zinc/09/71/88/191097188.db2.gz VBKYCHRLJVRKNW-JHJVBQTASA-N 1 3 240.416 1.956 20 0 BDADHO CCC1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000309214833 323329624 /nfs/dbraw/zinc/32/96/24/323329624.db2.gz FHUQSSPYJBOIPW-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO CCC1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000309214833 323329626 /nfs/dbraw/zinc/32/96/26/323329626.db2.gz FHUQSSPYJBOIPW-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO C[NH2+]CCCN(C)C[C@H]1CCCC[C@@H]1O ZINC000328166085 350377014 /nfs/dbraw/zinc/37/70/14/350377014.db2.gz IXJMVKMMLOXKKG-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@@H]([NH3+])[C@H](C)C2)O1 ZINC000251898935 362980916 /nfs/dbraw/zinc/98/09/16/362980916.db2.gz SJLGAHGNYGNTEG-DDHJBXDOSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251929352 362987550 /nfs/dbraw/zinc/98/75/50/362987550.db2.gz YPLLHDHUWPWLPF-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000422793345 192472580 /nfs/dbraw/zinc/47/25/80/192472580.db2.gz XZTCFHUNCSWIKR-ZOBORPQBSA-N 1 3 240.391 1.515 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000224436952 259418252 /nfs/dbraw/zinc/41/82/52/259418252.db2.gz JHYCFXPLYKIYBW-RWMBFGLXSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852230 351711524 /nfs/dbraw/zinc/71/15/24/351711524.db2.gz VCRNKUYXUYXGGQ-DGCLKSJQSA-N 1 3 243.395 1.240 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000638131750 352001734 /nfs/dbraw/zinc/00/17/34/352001734.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000638131750 352001737 /nfs/dbraw/zinc/00/17/37/352001737.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638131750 352001739 /nfs/dbraw/zinc/00/17/39/352001739.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638131750 352001742 /nfs/dbraw/zinc/00/17/42/352001742.db2.gz DRBJMQCOCROVAD-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638208375 352070788 /nfs/dbraw/zinc/07/07/88/352070788.db2.gz FAQAEQIBPVETCB-SRVKXCTJSA-N 1 3 241.379 1.007 20 0 BDADHO CC[NH+]1CCC(NCCc2nccnc2C)CC1 ZINC000295130181 352398252 /nfs/dbraw/zinc/39/82/52/352398252.db2.gz ZUCUWYFZQKRTJZ-UHFFFAOYSA-N 1 3 248.374 1.401 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000038011388 188082596 /nfs/dbraw/zinc/08/25/96/188082596.db2.gz DORGJFZYOVKMBS-OUJBWJOFSA-N 1 3 236.363 1.536 20 0 BDADHO CC(C)C[C@H](CNC(=O)[C@H](N)C(C)C)[NH+](C)C ZINC000040831274 188084152 /nfs/dbraw/zinc/08/41/52/188084152.db2.gz LRLBUXOXKUELGP-VXGBXAGGSA-N 1 3 243.395 1.062 20 0 BDADHO CC(C)C[C@H](CN(C)C)NC(=O)C(C)(C)C[NH3+] ZINC000044752119 188084888 /nfs/dbraw/zinc/08/48/88/188084888.db2.gz HUHXXAOPEWFMLY-LLVKDONJSA-N 1 3 243.395 1.064 20 0 BDADHO CC(C)C[C@@H](CN(C)C)NC(=O)C(C)(C)C[NH3+] ZINC000044752117 188085434 /nfs/dbraw/zinc/08/54/34/188085434.db2.gz HUHXXAOPEWFMLY-NSHDSACASA-N 1 3 243.395 1.064 20 0 BDADHO Cc1ccc(C[NH2+]CCCN(C)C)cn1 ZINC000128916573 188142895 /nfs/dbraw/zinc/14/28/95/188142895.db2.gz WBOXIFDSNAEYOC-UHFFFAOYSA-N 1 3 207.321 1.431 20 0 BDADHO C(CN1CCC[C@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000227167827 188155587 /nfs/dbraw/zinc/15/55/87/188155587.db2.gz XYLYITNETPZYED-KGLIPLIRSA-N 1 3 237.391 1.156 20 0 BDADHO COc1ccccc1C[C@@H](C)[NH2+]CCCN ZINC000037713774 188161221 /nfs/dbraw/zinc/16/12/21/188161221.db2.gz PUKUEFBGSOEMQP-LLVKDONJSA-N 1 3 222.332 1.565 20 0 BDADHO COc1ccccc1C[C@@H](C)NCCC[NH3+] ZINC000037713774 188161223 /nfs/dbraw/zinc/16/12/23/188161223.db2.gz PUKUEFBGSOEMQP-LLVKDONJSA-N 1 3 222.332 1.565 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236648000 188148865 /nfs/dbraw/zinc/14/88/65/188148865.db2.gz OEAUQWQCVKNWER-VXGBXAGGSA-N 1 3 241.379 1.055 20 0 BDADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[C@H](C)[NH3+] ZINC000070315056 188219969 /nfs/dbraw/zinc/21/99/69/188219969.db2.gz FSRZWLNFPASERK-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@H]2CCOC2)C1 ZINC000250667622 188220863 /nfs/dbraw/zinc/22/08/63/188220863.db2.gz SHPHRNBJMHHZFP-CYDGBPFRSA-N 1 3 224.348 1.286 20 0 BDADHO OC1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000252978273 353313969 /nfs/dbraw/zinc/31/39/69/353313969.db2.gz BCBZDFQFMSRBHI-YNEHKIRRSA-N 1 3 238.375 1.412 20 0 BDADHO CC(C)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000055079588 353346384 /nfs/dbraw/zinc/34/63/84/353346384.db2.gz SFFHKYBRIXEFMP-UHFFFAOYSA-N 1 3 239.407 1.260 20 0 BDADHO COCCCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000226422411 363218007 /nfs/dbraw/zinc/21/80/07/363218007.db2.gz YJVBPVVAPZAPNA-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCC[C@H]2CCO2)CC1 ZINC000639104715 353596334 /nfs/dbraw/zinc/59/63/34/353596334.db2.gz QKEGSYUYPOJIJX-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCC[C@H]2CCO2)CC1 ZINC000639104715 353596337 /nfs/dbraw/zinc/59/63/37/353596337.db2.gz QKEGSYUYPOJIJX-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCC[C@H]2CCO2)CC1 ZINC000639104715 353596339 /nfs/dbraw/zinc/59/63/39/353596339.db2.gz QKEGSYUYPOJIJX-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000231676162 363347543 /nfs/dbraw/zinc/34/75/43/363347543.db2.gz UYSBWWFIRBDLDJ-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO Fc1cncc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000334592054 354246067 /nfs/dbraw/zinc/24/60/67/354246067.db2.gz XWQJCPNWORJLLR-UHFFFAOYSA-N 1 3 249.333 1.796 20 0 BDADHO CC(C)CCC[NH2+]CCOCCN(C)C ZINC000232543544 363374954 /nfs/dbraw/zinc/37/49/54/363374954.db2.gz CODMVRVBGQINLL-UHFFFAOYSA-N 1 3 216.369 1.590 20 0 BDADHO C[C@H](CCNC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000345998387 354836205 /nfs/dbraw/zinc/83/62/05/354836205.db2.gz WHSBGUWMVOEFOF-BPLDGKMQSA-N 1 3 248.370 1.350 20 0 BDADHO C[C@H](CNC[C@@H]1C[NH2+]C[C@H]1O)Cc1ccccc1 ZINC000346005435 354837868 /nfs/dbraw/zinc/83/78/68/354837868.db2.gz GHZFTUQTETXHQV-NWANDNLSSA-N 1 3 248.370 1.035 20 0 BDADHO COCCC1CCN([C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000530212335 324525920 /nfs/dbraw/zinc/52/59/20/324525920.db2.gz QIRWIUCNFLERAK-RYUDHWBXSA-N 1 3 228.380 1.861 20 0 BDADHO [NH3+]CC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000346681249 355010682 /nfs/dbraw/zinc/01/06/82/355010682.db2.gz CPUWZQADWPENCN-UHFFFAOYSA-N 1 3 248.326 1.586 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C1CNC1 ZINC000335220890 355061155 /nfs/dbraw/zinc/06/11/55/355061155.db2.gz VUOQNMODXBCXKN-IAQYHMDHSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@@H](N[C@@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220890 355061157 /nfs/dbraw/zinc/06/11/57/355061157.db2.gz VUOQNMODXBCXKN-IAQYHMDHSA-N 1 3 230.355 1.741 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346847439 355136716 /nfs/dbraw/zinc/13/67/16/355136716.db2.gz MMYREKXQFBMBMX-IACUBPJLSA-N 1 3 248.374 1.586 20 0 BDADHO CCCCN(CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000346853632 355139175 /nfs/dbraw/zinc/13/91/75/355139175.db2.gz LWDGQXHDTBDKFW-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO CCCC[N@H+](CCOC)C[C@@H]1CCCNC1 ZINC000346853632 355139178 /nfs/dbraw/zinc/13/91/78/355139178.db2.gz LWDGQXHDTBDKFW-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO CCCC[N@@H+](CCOC)C[C@@H]1CCCNC1 ZINC000346853632 355139180 /nfs/dbraw/zinc/13/91/80/355139180.db2.gz LWDGQXHDTBDKFW-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000335240803 355156241 /nfs/dbraw/zinc/15/62/41/355156241.db2.gz MGSCGOWEGRBJKU-LBPRGKRZSA-N 1 3 233.315 1.144 20 0 BDADHO NC(=[NH2+])NC[C@@H]1CCCN1CCc1ccccc1 ZINC000372692415 181189681 /nfs/dbraw/zinc/18/96/81/181189681.db2.gz HEYZOPCDSUAXHT-ZDUSSCGKSA-N 1 3 246.358 1.177 20 0 BDADHO c1ccc2c(c1)CNCCN2C[C@@H]1CCC[NH2+]C1 ZINC000335801419 355494772 /nfs/dbraw/zinc/49/47/72/355494772.db2.gz ZATIHYPIMDJKFD-CYBMUJFWSA-N 1 3 245.370 1.596 20 0 BDADHO Cc1n[nH]cc1CN1CCC(C[NH+](C)C)CC1 ZINC000350174511 355619908 /nfs/dbraw/zinc/61/99/08/355619908.db2.gz BVXSPLQTKJMAJL-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO CN(C)Cc1ccc(-c2noc(CC[NH3+])n2)cc1 ZINC000350724192 355749229 /nfs/dbraw/zinc/74/92/29/355749229.db2.gz IGCGYFNCSUIQDW-UHFFFAOYSA-N 1 3 246.314 1.299 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CCC([NH+](C)C)CC1 ZINC000639450512 356234785 /nfs/dbraw/zinc/23/47/85/356234785.db2.gz QJRRRRNIPILGEG-NWDGAFQWSA-N 1 3 226.364 1.437 20 0 BDADHO [NH3+]C[C@H]1CCN(CCCc2ccsc2)C1 ZINC000420300849 192206893 /nfs/dbraw/zinc/20/68/93/192206893.db2.gz VHXNZFLHNNDHQI-GFCCVEGCSA-N 1 3 224.373 1.961 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000336119419 134089696 /nfs/dbraw/zinc/08/96/96/134089696.db2.gz NAQMRNHHZWFPMM-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000336119419 134089697 /nfs/dbraw/zinc/08/96/97/134089697.db2.gz NAQMRNHHZWFPMM-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000336120974 134091110 /nfs/dbraw/zinc/09/11/10/134091110.db2.gz GRXLJLRHXGXXKA-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000336120974 134091111 /nfs/dbraw/zinc/09/11/11/134091111.db2.gz GRXLJLRHXGXXKA-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420306996 192208539 /nfs/dbraw/zinc/20/85/39/192208539.db2.gz LOQWOKNKEHXERE-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CC(C)C[C@H]1COCCN1CC[C@H]1CC[NH2+]C1 ZINC000420305235 192209343 /nfs/dbraw/zinc/20/93/43/192209343.db2.gz PEPSHRYMUBDABT-KGLIPLIRSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420354173 192220454 /nfs/dbraw/zinc/22/04/54/192220454.db2.gz BOXXJTNZILQNOO-GHMZBOCLSA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420354173 192220457 /nfs/dbraw/zinc/22/04/57/192220457.db2.gz BOXXJTNZILQNOO-GHMZBOCLSA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000420367285 192225034 /nfs/dbraw/zinc/22/50/34/192225034.db2.gz VIIJQURMRCMNSY-CQSZACIVSA-N 1 3 240.391 1.733 20 0 BDADHO COCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420383698 192234713 /nfs/dbraw/zinc/23/47/13/192234713.db2.gz DNRSSHIOGOYZMU-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)OCCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420396984 192237216 /nfs/dbraw/zinc/23/72/16/192237216.db2.gz FPLZBMVWRNTCCW-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000420396984 192237219 /nfs/dbraw/zinc/23/72/19/192237219.db2.gz FPLZBMVWRNTCCW-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000420396984 192237220 /nfs/dbraw/zinc/23/72/20/192237220.db2.gz FPLZBMVWRNTCCW-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@H](N)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420412073 192238904 /nfs/dbraw/zinc/23/89/04/192238904.db2.gz SAMALEPZILWFLF-YUTCNCBUSA-N 1 3 234.343 1.701 20 0 BDADHO FCCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420409949 192239094 /nfs/dbraw/zinc/23/90/94/192239094.db2.gz XRTGPZVEICGTFY-RYUDHWBXSA-N 1 3 214.328 1.810 20 0 BDADHO COCCCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420406915 192239168 /nfs/dbraw/zinc/23/91/68/192239168.db2.gz UUFPDJFXYOWBBK-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO COCCCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420406916 192239295 /nfs/dbraw/zinc/23/92/95/192239295.db2.gz UUFPDJFXYOWBBK-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1NC[C@H](C)[NH3+] ZINC000420411529 192239416 /nfs/dbraw/zinc/23/94/16/192239416.db2.gz RTOPUFWRLFNPGC-TUAOUCFPSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420412512 192241210 /nfs/dbraw/zinc/24/12/10/192241210.db2.gz SGYNQWJREWEEJN-FPMFFAJLSA-N 1 3 233.359 1.369 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420412512 192241212 /nfs/dbraw/zinc/24/12/12/192241212.db2.gz SGYNQWJREWEEJN-FPMFFAJLSA-N 1 3 233.359 1.369 20 0 BDADHO CC[C@H](C)N(CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377076 192231460 /nfs/dbraw/zinc/23/14/60/192231460.db2.gz RNYCDYNOYVAPPM-RYUDHWBXSA-N 1 3 242.363 1.260 20 0 BDADHO Cc1nccn1CC[N@@H+](C)C[C@H]1CCCN1C ZINC000421015243 192302133 /nfs/dbraw/zinc/30/21/33/192302133.db2.gz WYZLYYCVXWTMBO-CYBMUJFWSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CC[N@H+](C)C[C@H]1CCCN1C ZINC000421015243 192302135 /nfs/dbraw/zinc/30/21/35/192302135.db2.gz WYZLYYCVXWTMBO-CYBMUJFWSA-N 1 3 236.363 1.218 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955126 192525158 /nfs/dbraw/zinc/52/51/58/192525158.db2.gz IRIVEFQYRXZPOH-YHQUGGNUSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423053179 192553502 /nfs/dbraw/zinc/55/35/02/192553502.db2.gz RGKBWHHBNPCOME-HRDYMLBCSA-N 1 3 224.270 1.902 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1C[C@@H](O)C1(C)C ZINC000423065321 192555713 /nfs/dbraw/zinc/55/57/13/192555713.db2.gz UBQONFUTLYKTHR-NOOOWODRSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000167641177 134153119 /nfs/dbraw/zinc/15/31/19/134153119.db2.gz LLWSBTZKBUWYNG-QJPTWQEYSA-N 1 3 214.353 1.268 20 0 BDADHO Cc1ccccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287522 356657197 /nfs/dbraw/zinc/65/71/97/356657197.db2.gz ZPVURFKGZOLNEU-ZIAGYGMSSA-N 1 3 216.328 1.646 20 0 BDADHO C[C@H](CO)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000167635765 134153363 /nfs/dbraw/zinc/15/33/63/134153363.db2.gz UHWHQDPSACDLKS-FXAINCCUSA-N 1 3 206.289 1.102 20 0 BDADHO COCC(C)(C)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423131477 192580544 /nfs/dbraw/zinc/58/05/44/192580544.db2.gz NZFIAGDSKLDWIB-GHMZBOCLSA-N 1 3 214.353 1.247 20 0 BDADHO CN1CC[C@H]([NH2+]CCN2CCCC2)CC1(C)C ZINC000623339884 356737840 /nfs/dbraw/zinc/73/78/40/356737840.db2.gz NZDCERUBLJSSJQ-ZDUSSCGKSA-N 1 3 239.407 1.545 20 0 BDADHO CCN1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355453530 356760463 /nfs/dbraw/zinc/76/04/63/356760463.db2.gz HEEGYTPGHPFZOX-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355453530 356760467 /nfs/dbraw/zinc/76/04/67/356760467.db2.gz HEEGYTPGHPFZOX-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO C[N@@H+]1CC[C@H](NCCn2cccn2)CC1(C)C ZINC000623371795 356880887 /nfs/dbraw/zinc/88/08/87/356880887.db2.gz SVSYVEHLCXEKGL-LBPRGKRZSA-N 1 3 236.363 1.346 20 0 BDADHO C[N@H+]1CC[C@H](NCCn2cccn2)CC1(C)C ZINC000623371795 356880890 /nfs/dbraw/zinc/88/08/90/356880890.db2.gz SVSYVEHLCXEKGL-LBPRGKRZSA-N 1 3 236.363 1.346 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000423167730 192604184 /nfs/dbraw/zinc/60/41/84/192604184.db2.gz FRRSZBOOCVAUCF-SDDRHHMPSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cncn1C ZINC000353568425 538750214 /nfs/dbraw/zinc/75/02/14/538750214.db2.gz JACIKUCDJGBYSH-NTZNESFSSA-N 1 3 236.363 1.238 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H](O)CN(C)CC)CCS1 ZINC000390587760 357102410 /nfs/dbraw/zinc/10/24/10/357102410.db2.gz RJJOPLMHXPVDEI-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H](O)CN(C)CC)CCS1 ZINC000390587760 357102413 /nfs/dbraw/zinc/10/24/13/357102413.db2.gz RJJOPLMHXPVDEI-VXGBXAGGSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@H](NC[C@@H](N)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244547 192649414 /nfs/dbraw/zinc/64/94/14/192649414.db2.gz HRSQNVZJZVXTPU-CFVMTHIKSA-N 1 3 247.386 1.807 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2O)C1 ZINC000393337401 357281402 /nfs/dbraw/zinc/28/14/02/357281402.db2.gz UIRILFSMGCTAND-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO CCc1cc(CN[C@@H](C)CCCC[NH3+])on1 ZINC000582719730 357370821 /nfs/dbraw/zinc/37/08/21/357370821.db2.gz FTPZPJIAIWBLJV-JTQLQIEISA-N 1 3 225.336 1.844 20 0 BDADHO CC(C)(C)NCC[NH2+]CCCn1ccnc1 ZINC000230969815 357586553 /nfs/dbraw/zinc/58/65/53/357586553.db2.gz BJWHNWDHBVGJNW-UHFFFAOYSA-N 1 3 224.352 1.251 20 0 BDADHO C[N@H+](CCCN)C1CCN(c2ccccc2)CC1 ZINC000231430820 357613517 /nfs/dbraw/zinc/61/35/17/357613517.db2.gz IJGFHOXTMXJPDM-UHFFFAOYSA-N 1 3 247.386 1.936 20 0 BDADHO C[N@@H+](CCCN)C1CCN(c2ccccc2)CC1 ZINC000231430820 357613519 /nfs/dbraw/zinc/61/35/19/357613519.db2.gz IJGFHOXTMXJPDM-UHFFFAOYSA-N 1 3 247.386 1.936 20 0 BDADHO CN(CCC[NH3+])C1CCN(c2ccccc2)CC1 ZINC000231430820 357613522 /nfs/dbraw/zinc/61/35/22/357613522.db2.gz IJGFHOXTMXJPDM-UHFFFAOYSA-N 1 3 247.386 1.936 20 0 BDADHO OCC1(C[NH2+][C@H]2CCCNCC2)CCCC1 ZINC000168777730 134247853 /nfs/dbraw/zinc/24/78/53/134247853.db2.gz ACASBOYZGMTQNE-LBPRGKRZSA-N 1 3 226.364 1.271 20 0 BDADHO OCC1(CN[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000168777730 134247854 /nfs/dbraw/zinc/24/78/54/134247854.db2.gz ACASBOYZGMTQNE-LBPRGKRZSA-N 1 3 226.364 1.271 20 0 BDADHO CC(C)[NH2+]CCCCN1CCN(C)CC1 ZINC000037482872 358072908 /nfs/dbraw/zinc/07/29/08/358072908.db2.gz LVFRWJBOFOMDEF-UHFFFAOYSA-N 1 3 213.369 1.012 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017263 358064447 /nfs/dbraw/zinc/06/44/47/358064447.db2.gz UYOMQUWQWMQLEH-LLVKDONJSA-N 1 3 247.342 1.568 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173601044 134276124 /nfs/dbraw/zinc/27/61/24/134276124.db2.gz OCPOSKNVEZFTKM-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173601044 134276125 /nfs/dbraw/zinc/27/61/25/134276125.db2.gz OCPOSKNVEZFTKM-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]CCCN1CCCC1 ZINC000049332675 358683221 /nfs/dbraw/zinc/68/32/21/358683221.db2.gz WBMTWFPSYDHRJC-ZDUSSCGKSA-N 1 3 236.363 1.347 20 0 BDADHO C[C@@H](Cn1cccn1)NCCC[NH+]1CCCC1 ZINC000049332675 358683222 /nfs/dbraw/zinc/68/32/22/358683222.db2.gz WBMTWFPSYDHRJC-ZDUSSCGKSA-N 1 3 236.363 1.347 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000132248155 358714063 /nfs/dbraw/zinc/71/40/63/358714063.db2.gz NXRFOZHTJZBVFP-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO COCCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578323818 366513249 /nfs/dbraw/zinc/51/32/49/366513249.db2.gz XUOCDGMRCDMDIK-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO COCCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000578323818 366513256 /nfs/dbraw/zinc/51/32/56/366513256.db2.gz XUOCDGMRCDMDIK-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO COCCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000578323818 366513261 /nfs/dbraw/zinc/51/32/61/366513261.db2.gz XUOCDGMRCDMDIK-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CCCCOCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403469 358967834 /nfs/dbraw/zinc/96/78/34/358967834.db2.gz CZZPYHAMGQHVQE-NEPJUHHUSA-N 1 3 214.353 1.663 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086404496 358968075 /nfs/dbraw/zinc/96/80/75/358968075.db2.gz FMQYTJARATZKAY-GARJFASQSA-N 1 3 200.326 1.271 20 0 BDADHO C[NH2+]CCC1CCN(CCCC(=O)OC)CC1 ZINC000070189911 359044794 /nfs/dbraw/zinc/04/47/94/359044794.db2.gz DOCIARLBHCAHQH-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO C[C@@H](NCC1CC[NH+](C)CC1)c1nccn1C ZINC000070445353 359055784 /nfs/dbraw/zinc/05/57/84/359055784.db2.gz MGSVVHKLFMHTKW-LLVKDONJSA-N 1 3 236.363 1.413 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1CCCOC1 ZINC000423349277 192724711 /nfs/dbraw/zinc/72/47/11/192724711.db2.gz VICIJDDWJJEKIW-IHRRRGAJSA-N 1 3 240.391 1.781 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000247186354 359200747 /nfs/dbraw/zinc/20/07/47/359200747.db2.gz VMTVFTDPBUCSTM-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO Cn1ccc(C[NH2+][C@H]2CCN(C)C(C)(C)C2)c1 ZINC000623439661 359332659 /nfs/dbraw/zinc/33/26/59/359332659.db2.gz SDRXRPPLOUKIOF-ZDUSSCGKSA-N 1 3 235.375 1.988 20 0 BDADHO CC[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498120 192794749 /nfs/dbraw/zinc/79/47/49/192794749.db2.gz GMEOBVPDCMTGFU-TUAOUCFPSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000578549642 366594405 /nfs/dbraw/zinc/59/44/05/366594405.db2.gz UNPJMOQACMBHGW-XQHKEYJVSA-N 1 3 226.364 1.804 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(N)CC1 ZINC000088129668 359936959 /nfs/dbraw/zinc/93/69/59/359936959.db2.gz CDKRFEZMNQOZOL-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089146294 359992913 /nfs/dbraw/zinc/99/29/13/359992913.db2.gz TXIJEWCBEJHXEV-ZIAGYGMSSA-N 1 3 233.359 1.997 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000089140583 359992924 /nfs/dbraw/zinc/99/29/24/359992924.db2.gz UWTHAWMYKCWFCI-KBPBESRZSA-N 1 3 240.391 1.910 20 0 BDADHO CC(C)N1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089424649 360019387 /nfs/dbraw/zinc/01/93/87/360019387.db2.gz WIUIKPHUUCAQNV-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)N1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089424649 360019393 /nfs/dbraw/zinc/01/93/93/360019393.db2.gz WIUIKPHUUCAQNV-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO C1C[C@@H]2C[C@H]([NH2+]C3CCOCC3)CCN2C1 ZINC000090714578 360084898 /nfs/dbraw/zinc/08/48/98/360084898.db2.gz BVZBHRHPPHGKLX-CHWSQXEVSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@H](NC3CCOCC3)CC[N@@H+]2C1 ZINC000090714578 360084902 /nfs/dbraw/zinc/08/49/02/360084902.db2.gz BVZBHRHPPHGKLX-CHWSQXEVSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@H](NC3CCOCC3)CC[N@H+]2C1 ZINC000090714578 360084906 /nfs/dbraw/zinc/08/49/06/360084906.db2.gz BVZBHRHPPHGKLX-CHWSQXEVSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093491774 360250970 /nfs/dbraw/zinc/25/09/70/360250970.db2.gz PJLBJCAMTRHNSM-RFQIPJPRSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000093491774 360250971 /nfs/dbraw/zinc/25/09/71/360250971.db2.gz PJLBJCAMTRHNSM-RFQIPJPRSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CCC2)CCN1C ZINC000097928130 360382647 /nfs/dbraw/zinc/38/26/47/360382647.db2.gz VHLZMXIQTSRCKU-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CN(C2CC2)C[C@H]1C ZINC000629388725 361035516 /nfs/dbraw/zinc/03/55/16/361035516.db2.gz PFRRPFYLMRLMFJ-CABNGKKXSA-N 1 3 237.391 1.199 20 0 BDADHO Cc1cccc(CNCCOCCC[NH3+])c1 ZINC000629397584 361047868 /nfs/dbraw/zinc/04/78/68/361047868.db2.gz ACGCOJNYCFBUKF-UHFFFAOYSA-N 1 3 222.332 1.450 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CN1C1CC1 ZINC000629411963 361060848 /nfs/dbraw/zinc/06/08/48/361060848.db2.gz JEIWQKPBBJEQSF-MROQNXINSA-N 1 3 237.391 1.342 20 0 BDADHO C[NH2+]CCC1CCN(Cc2cccnc2N)CC1 ZINC000629521090 361118060 /nfs/dbraw/zinc/11/80/60/361118060.db2.gz OPXOHHCYKFLASC-UHFFFAOYSA-N 1 3 248.374 1.485 20 0 BDADHO CCO[C@H](CN(C)C1CC[NH2+]CC1)C1CC1 ZINC000629509004 361102570 /nfs/dbraw/zinc/10/25/70/361102570.db2.gz GSMLLWXXCUZMGT-CYBMUJFWSA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@H](C[N@H+](C)C1CCNCC1)C1CC1 ZINC000629509004 361102573 /nfs/dbraw/zinc/10/25/73/361102573.db2.gz GSMLLWXXCUZMGT-CYBMUJFWSA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@H](C[N@@H+](C)C1CCNCC1)C1CC1 ZINC000629509004 361102576 /nfs/dbraw/zinc/10/25/76/361102576.db2.gz GSMLLWXXCUZMGT-CYBMUJFWSA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1csc(C)c1 ZINC000629530510 361144345 /nfs/dbraw/zinc/14/43/45/361144345.db2.gz IPNAQCALFYMHCA-NSHDSACASA-N 1 3 242.388 1.943 20 0 BDADHO CCO[C@H](CN1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000629532308 361152080 /nfs/dbraw/zinc/15/20/80/361152080.db2.gz UVKKJMIJNWKQRS-MELADBBJSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1ccccc1 ZINC000629524663 361125930 /nfs/dbraw/zinc/12/59/30/361125930.db2.gz SOSBLWNKEBFDGL-LBPRGKRZSA-N 1 3 234.343 1.845 20 0 BDADHO COCCCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000158522885 361202039 /nfs/dbraw/zinc/20/20/39/361202039.db2.gz FYFNDIISHNPASG-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000158708211 361210270 /nfs/dbraw/zinc/21/02/70/361210270.db2.gz YMLZEYJKBHTYDD-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO COCCCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000158708211 361210274 /nfs/dbraw/zinc/21/02/74/361210274.db2.gz YMLZEYJKBHTYDD-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)C[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428475530 201023093 /nfs/dbraw/zinc/02/30/93/201023093.db2.gz AHNCDGQYGFTVMY-NSHDSACASA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428488175 201025330 /nfs/dbraw/zinc/02/53/30/201025330.db2.gz YZRCUVPLCXPJRV-WDEREUQCSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]CC[C@H](C)N ZINC000622045465 370680287 /nfs/dbraw/zinc/68/02/87/370680287.db2.gz WOTPKBBXWUIJOS-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO [NH3+]CCCN[C@@H]1CCc2cc(F)ccc21 ZINC000162525442 361354113 /nfs/dbraw/zinc/35/41/13/361354113.db2.gz ZSPIDHUIFDBBNS-GFCCVEGCSA-N 1 3 208.280 1.751 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429387057 201105822 /nfs/dbraw/zinc/10/58/22/201105822.db2.gz YJPTWDSFHYTXFI-AAEUAGOBSA-N 1 3 241.379 1.010 20 0 BDADHO COC[C@@]1(CNC(C2CC2)C2CC2)CCC[NH2+]1 ZINC000579342323 366761915 /nfs/dbraw/zinc/76/19/15/366761915.db2.gz FVOUAAVHPJNDPF-AWEZNQCLSA-N 1 3 238.375 1.533 20 0 BDADHO Cc1ccncc1[C@H](C)NCCOCCC[NH3+] ZINC000629536308 361399005 /nfs/dbraw/zinc/39/90/05/361399005.db2.gz GFEKKMGSHHSLNK-LBPRGKRZSA-N 1 3 237.347 1.406 20 0 BDADHO CCCN(C)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000429629964 201124510 /nfs/dbraw/zinc/12/45/10/201124510.db2.gz WQJZZORTBMQVJI-LBPRGKRZSA-N 1 3 243.395 1.160 20 0 BDADHO CC[C@H](NCCOCCC[NH3+])c1ccncc1 ZINC000629535620 361410095 /nfs/dbraw/zinc/41/00/95/361410095.db2.gz CYVLCDJIWLSLII-ZDUSSCGKSA-N 1 3 237.347 1.488 20 0 BDADHO CC[C@@H](C)CN1CCC([NH2+]CCOC)CC1 ZINC000579480368 366825496 /nfs/dbraw/zinc/82/54/96/366825496.db2.gz RPYNUGPTHLSCKV-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629547121 361430919 /nfs/dbraw/zinc/43/09/19/361430919.db2.gz RPPKCBOJNDQKED-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO CN1CCC[C@H]1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000629548114 361433452 /nfs/dbraw/zinc/43/34/52/361433452.db2.gz CXBHBOLGZQBFBY-YNEHKIRRSA-N 1 3 225.380 1.330 20 0 BDADHO C1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[C@H]2CCOC2)CN1 ZINC000629553036 361438010 /nfs/dbraw/zinc/43/80/10/361438010.db2.gz HKCRTAXGVWBOMN-DGAVXFQQSA-N 1 3 238.375 1.533 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000629553629 361439019 /nfs/dbraw/zinc/43/90/19/361439019.db2.gz BULVSWBRPDLIMS-YFKTTZPYSA-N 1 3 212.337 1.128 20 0 BDADHO C(CNC1CC1)C[NH2+]C[C@@H]1CCSC1 ZINC000163434583 361480215 /nfs/dbraw/zinc/48/02/15/361480215.db2.gz CUTPIMSXMIHUDB-JTQLQIEISA-N 1 3 214.378 1.471 20 0 BDADHO C/C=C\C[C@@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000629594411 361486225 /nfs/dbraw/zinc/48/62/25/361486225.db2.gz CDBFRZAUHCUEPM-UUSXEQNQSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C\C[C@@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000629594411 361486229 /nfs/dbraw/zinc/48/62/29/361486229.db2.gz CDBFRZAUHCUEPM-UUSXEQNQSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C\C[C@@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000629594411 361486232 /nfs/dbraw/zinc/48/62/32/361486232.db2.gz CDBFRZAUHCUEPM-UUSXEQNQSA-N 1 3 240.391 1.635 20 0 BDADHO C[C@@H](NCC1=CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000629648359 361540423 /nfs/dbraw/zinc/54/04/23/361540423.db2.gz ULDDXDRSQSOCER-YPMHNXCESA-N 1 3 224.348 1.311 20 0 BDADHO C[C@@H]([NH2+]CC1=CCCOC1)[C@H]1CCCNC1 ZINC000629648359 361540425 /nfs/dbraw/zinc/54/04/25/361540425.db2.gz ULDDXDRSQSOCER-YPMHNXCESA-N 1 3 224.348 1.311 20 0 BDADHO C[C@H]1CCN(Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648483 361540875 /nfs/dbraw/zinc/54/08/75/361540875.db2.gz PCWWUCKCESPWID-WCQYABFASA-N 1 3 221.348 1.442 20 0 BDADHO Cn1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629649223 361543717 /nfs/dbraw/zinc/54/37/17/361543717.db2.gz MMJAMDWEJKLXQR-CABCVRRESA-N 1 3 247.386 1.989 20 0 BDADHO C[C@@H]1CCCN(Cc2ccn(C)c2)[C@@H]1CC[NH3+] ZINC000629650704 361547705 /nfs/dbraw/zinc/54/77/05/361547705.db2.gz ZTAASMMBWUNKBA-TZMCWYRMSA-N 1 3 235.375 1.974 20 0 BDADHO C[C@H]1CCC[N@H+](CC2=CCCOC2)[C@@H]1CCN ZINC000629650553 361548097 /nfs/dbraw/zinc/54/80/97/361548097.db2.gz VYTGZDOGCHKYDS-GXTWGEPZSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@H]1CCC[N@@H+](CC2=CCCOC2)[C@@H]1CCN ZINC000629650553 361548101 /nfs/dbraw/zinc/54/81/01/361548101.db2.gz VYTGZDOGCHKYDS-GXTWGEPZSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@H]1CCCN(CC2=CCCOC2)[C@@H]1CC[NH3+] ZINC000629650553 361548104 /nfs/dbraw/zinc/54/81/04/361548104.db2.gz VYTGZDOGCHKYDS-GXTWGEPZSA-N 1 3 238.375 1.782 20 0 BDADHO CN(CC1=CCCOC1)CC(C)(C)C[NH3+] ZINC000629651830 361557145 /nfs/dbraw/zinc/55/71/45/361557145.db2.gz LBZJSDKTKXODBJ-UHFFFAOYSA-N 1 3 212.337 1.250 20 0 BDADHO COCCCCC[N@H+](C)[C@H]1CCCNCC1 ZINC000435623425 201279946 /nfs/dbraw/zinc/27/99/46/201279946.db2.gz UZLPRWHFRWUAHO-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO COCCCCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000435623425 201279948 /nfs/dbraw/zinc/27/99/48/201279948.db2.gz UZLPRWHFRWUAHO-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000438179530 201395922 /nfs/dbraw/zinc/39/59/22/201395922.db2.gz OOPHXZQVVJUYHX-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)[C@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607075 364331757 /nfs/dbraw/zinc/33/17/57/364331757.db2.gz BZUCNPKEKXYAAE-ZDUSSCGKSA-N 1 3 245.330 1.382 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C1 ZINC000573696606 364889092 /nfs/dbraw/zinc/88/90/92/364889092.db2.gz KNZDFSMCYAABPQ-SJHCENCUSA-N 1 3 224.348 1.413 20 0 BDADHO COC[C@H](N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000168763347 365001417 /nfs/dbraw/zinc/00/14/17/365001417.db2.gz GGYCVSFIZWHHCJ-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCCNCC1)C(C)C ZINC000168763347 365001422 /nfs/dbraw/zinc/00/14/22/365001422.db2.gz GGYCVSFIZWHHCJ-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000443066963 193012462 /nfs/dbraw/zinc/01/24/62/193012462.db2.gz KMEAYPIKFMLVJT-CHWSQXEVSA-N 1 3 239.407 1.258 20 0 BDADHO CC[NH+](CC)CCCN(C)C[C@H]1CCOC1 ZINC000171940788 365260279 /nfs/dbraw/zinc/26/02/79/365260279.db2.gz TXPPEXMEIGLXNS-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@H]1CCOC1 ZINC000171940788 365260281 /nfs/dbraw/zinc/26/02/81/365260281.db2.gz TXPPEXMEIGLXNS-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@H]1CCOC1 ZINC000171940788 365260282 /nfs/dbraw/zinc/26/02/82/365260282.db2.gz TXPPEXMEIGLXNS-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H]([NH2+]CC1=CCCOC1)[C@H]1CCCCN1 ZINC000379829986 365286290 /nfs/dbraw/zinc/28/62/90/365286290.db2.gz XCWQOHSNZSBBRC-DGCLKSJQSA-N 1 3 224.348 1.453 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H](N)c1ccccc1 ZINC000575924945 365416656 /nfs/dbraw/zinc/41/66/56/365416656.db2.gz ZVWXPTBVEGDUFQ-GVXVVHGQSA-N 1 3 249.358 1.319 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000575980126 365433058 /nfs/dbraw/zinc/43/30/58/365433058.db2.gz UTHDCHIRKXVEBU-GXTWGEPZSA-N 1 3 239.407 1.447 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000576149152 365500063 /nfs/dbraw/zinc/50/00/63/365500063.db2.gz LWUHPYNFALRDBW-WDEREUQCSA-N 1 3 214.353 1.220 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](NCC(C)(C)O)C1 ZINC000576149152 365500065 /nfs/dbraw/zinc/50/00/65/365500065.db2.gz LWUHPYNFALRDBW-WDEREUQCSA-N 1 3 214.353 1.220 20 0 BDADHO C[C@@H]([NH2+]CCCO)[C@@H]1CCCN(C2CCC2)C1 ZINC000185709768 367140363 /nfs/dbraw/zinc/14/03/63/367140363.db2.gz BEJYEARRYAQAPZ-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@@]1(C)CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000580897312 367201663 /nfs/dbraw/zinc/20/16/63/367201663.db2.gz KRYSHKHBYINUHI-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@]1(C)CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000580897312 367201667 /nfs/dbraw/zinc/20/16/67/367201667.db2.gz KRYSHKHBYINUHI-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@]1(C)CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000580897312 367201670 /nfs/dbraw/zinc/20/16/70/367201670.db2.gz KRYSHKHBYINUHI-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000380565359 367244769 /nfs/dbraw/zinc/24/47/69/367244769.db2.gz OJDMCLRZBCSMGE-MROQNXINSA-N 1 3 226.364 1.484 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000381470009 367413866 /nfs/dbraw/zinc/41/38/66/367413866.db2.gz NZQAICPEASKCPZ-NDBYEHHHSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000381470009 367413869 /nfs/dbraw/zinc/41/38/69/367413869.db2.gz NZQAICPEASKCPZ-NDBYEHHHSA-N 1 3 226.364 1.626 20 0 BDADHO COC[C@H]([NH2+]CC[C@@H]1CCCN1C)C(C)C ZINC000381745161 367454189 /nfs/dbraw/zinc/45/41/89/367454189.db2.gz PWDVBEXTHIIRLC-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](NCC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000381745161 367454192 /nfs/dbraw/zinc/45/41/92/367454192.db2.gz PWDVBEXTHIIRLC-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](NCC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000381745161 367454195 /nfs/dbraw/zinc/45/41/95/367454195.db2.gz PWDVBEXTHIIRLC-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000581489209 367519827 /nfs/dbraw/zinc/51/98/27/367519827.db2.gz PJBQJACLSLIDAG-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114513 367597343 /nfs/dbraw/zinc/59/73/43/367597343.db2.gz ATFRMYOXTQQSGA-UWVGGRQHSA-N 1 3 218.291 1.891 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000383377162 367617540 /nfs/dbraw/zinc/61/75/40/367617540.db2.gz AADXZFJTRMKATR-DGAVXFQQSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)[C@H](C)O1 ZINC000384714286 367719163 /nfs/dbraw/zinc/71/91/63/367719163.db2.gz GZPXOLGZGSELHY-IIRVCBMXSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000384749389 367726435 /nfs/dbraw/zinc/72/64/35/367726435.db2.gz MNIXROADKXUCFV-KXNHARMFSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2)[C@H](C)O1 ZINC000384749389 367726443 /nfs/dbraw/zinc/72/64/43/367726443.db2.gz MNIXROADKXUCFV-KXNHARMFSA-N 1 3 212.337 1.142 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384854449 367744971 /nfs/dbraw/zinc/74/49/71/367744971.db2.gz GHICESIPIPCZDA-FRRDWIJNSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)CN1CCCC1 ZINC000384871275 367746883 /nfs/dbraw/zinc/74/68/83/367746883.db2.gz ILMAGUZIKLLHBZ-AAVRWANBSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](CN[C@@H]1C[C@@H](C)O[C@@H]1C)C[NH+]1CCCC1 ZINC000384871275 367746888 /nfs/dbraw/zinc/74/68/88/367746888.db2.gz ILMAGUZIKLLHBZ-AAVRWANBSA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000581720385 367783034 /nfs/dbraw/zinc/78/30/34/367783034.db2.gz PYGDJBGEBGJAPM-WHOHXGKFSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2CCCOCC2)C[NH2+]1 ZINC000399219210 367907979 /nfs/dbraw/zinc/90/79/79/367907979.db2.gz JZQWGZSWKVCCEK-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1CC[C@H](NCC[C@H]2CCOC2)C[NH2+]1 ZINC000399238937 367911006 /nfs/dbraw/zinc/91/10/06/367911006.db2.gz STVXVGRIHLCGJO-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](N[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386136536 367917472 /nfs/dbraw/zinc/91/74/72/367917472.db2.gz PSJWPCNQLTZBIR-LPWJVIDDSA-N 1 3 226.364 1.674 20 0 BDADHO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000385953190 367889449 /nfs/dbraw/zinc/88/94/49/367889449.db2.gz XVBQOVYPHYGQEP-NWDGAFQWSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H](NCC1(N(C)C)CCC1)[C@H]1CCCC[NH2+]1 ZINC000385991376 367894306 /nfs/dbraw/zinc/89/43/06/367894306.db2.gz JCVLKBVQTPPIPD-CHWSQXEVSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](NC[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000386504052 367981670 /nfs/dbraw/zinc/98/16/70/367981670.db2.gz WDKOPOCBQHBDJH-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NCC(C)(C)CCCO)[C@@H]1CCCC[NH2+]1 ZINC000386518715 367984628 /nfs/dbraw/zinc/98/46/28/367984628.db2.gz YJKHEHMIZJQKHD-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352132 326035844 /nfs/dbraw/zinc/03/58/44/326035844.db2.gz XGEMUSPXBHNWGT-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352132 326035846 /nfs/dbraw/zinc/03/58/46/326035846.db2.gz XGEMUSPXBHNWGT-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C(C)C)CC1 ZINC000566352132 326035849 /nfs/dbraw/zinc/03/58/49/326035849.db2.gz XGEMUSPXBHNWGT-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@H](C)[C@@H](C[NH3+])C2)O1 ZINC000253196853 368613229 /nfs/dbraw/zinc/61/32/29/368613229.db2.gz UDXGIRJMVKRDEN-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO CC1CC[NH+](CCN2CCCN(C)CC2)CC1 ZINC000567350817 326171648 /nfs/dbraw/zinc/17/16/48/326171648.db2.gz OTGQLKCHZSXNGM-UHFFFAOYSA-N 1 3 239.407 1.356 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000631837770 369101842 /nfs/dbraw/zinc/10/18/42/369101842.db2.gz WRMIZCRVWIEOLT-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1CN ZINC000631837770 369101844 /nfs/dbraw/zinc/10/18/44/369101844.db2.gz WRMIZCRVWIEOLT-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H]1CN ZINC000631837770 369101852 /nfs/dbraw/zinc/10/18/52/369101852.db2.gz WRMIZCRVWIEOLT-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CC2(O)CCC2)C1 ZINC000567680990 326244429 /nfs/dbraw/zinc/24/44/29/326244429.db2.gz JYRGOKQUZCUXOR-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNCC2(O)CCC2)C1 ZINC000567680990 326244431 /nfs/dbraw/zinc/24/44/31/326244431.db2.gz JYRGOKQUZCUXOR-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNCC2(O)CCC2)C1 ZINC000567680990 326244433 /nfs/dbraw/zinc/24/44/33/326244433.db2.gz JYRGOKQUZCUXOR-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO Cc1cccnc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000404928339 369440419 /nfs/dbraw/zinc/44/04/19/369440419.db2.gz KKFGHUMLHPTFGX-OLZOCXBDSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cccnc1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000404928339 369440425 /nfs/dbraw/zinc/44/04/25/369440425.db2.gz KKFGHUMLHPTFGX-OLZOCXBDSA-N 1 3 233.359 1.792 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2ccccn2)C1 ZINC000459729352 203343631 /nfs/dbraw/zinc/34/36/31/203343631.db2.gz JCMYMINLBBUGNC-CYBMUJFWSA-N 1 3 233.359 1.903 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2ccccn2)C1 ZINC000459729352 203343634 /nfs/dbraw/zinc/34/36/34/203343634.db2.gz JCMYMINLBBUGNC-CYBMUJFWSA-N 1 3 233.359 1.903 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784629 203367518 /nfs/dbraw/zinc/36/75/18/203367518.db2.gz AHFGUQBRRAHFRS-SRVKXCTJSA-N 1 3 226.389 1.660 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459784629 203367521 /nfs/dbraw/zinc/36/75/21/203367521.db2.gz AHFGUQBRRAHFRS-SRVKXCTJSA-N 1 3 226.389 1.660 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000567893667 326278281 /nfs/dbraw/zinc/27/82/81/326278281.db2.gz ICHCRAQDWZEUKX-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO CSCC[C@H](C)N(C)C[C@H]1CC[NH2+]C1 ZINC000252687783 370115938 /nfs/dbraw/zinc/11/59/38/370115938.db2.gz MHYJDWZOSZXQEO-QWRGUYRKSA-N 1 3 216.394 1.669 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000252678985 370111352 /nfs/dbraw/zinc/11/13/52/370111352.db2.gz WDZOKLLONBHSJY-CRWXNKLISA-N 1 3 240.391 1.645 20 0 BDADHO CC1(F)CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000631867420 370229474 /nfs/dbraw/zinc/22/94/74/370229474.db2.gz UFMVPOQWBNDOFF-NSHDSACASA-N 1 3 242.338 1.331 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC(C(C)C)CC1 ZINC000310336479 370336274 /nfs/dbraw/zinc/33/62/74/370336274.db2.gz CTUDUULIBZDTSY-CQSZACIVSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(C(C)C)CC1 ZINC000310336479 370336276 /nfs/dbraw/zinc/33/62/76/370336276.db2.gz CTUDUULIBZDTSY-CQSZACIVSA-N 1 3 242.407 1.667 20 0 BDADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784318 370536111 /nfs/dbraw/zinc/53/61/11/370536111.db2.gz NBSKITPRTZEXAD-HUUCEWRRSA-N 1 3 245.370 1.827 20 0 BDADHO CCOCCC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621782199 370530458 /nfs/dbraw/zinc/53/04/58/370530458.db2.gz NMMJSDXWUSXPSO-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO CCOCCC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621782199 370530460 /nfs/dbraw/zinc/53/04/60/370530460.db2.gz NMMJSDXWUSXPSO-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO CCOCCC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621782196 370530750 /nfs/dbraw/zinc/53/07/50/370530750.db2.gz NMMJSDXWUSXPSO-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO CCOCCC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621782196 370530755 /nfs/dbraw/zinc/53/07/55/370530755.db2.gz NMMJSDXWUSXPSO-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO N[C@@]12CCC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784318 370536103 /nfs/dbraw/zinc/53/61/03/370536103.db2.gz NBSKITPRTZEXAD-HUUCEWRRSA-N 1 3 245.370 1.827 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CCOC1 ZINC000624120539 371321019 /nfs/dbraw/zinc/32/10/19/371321019.db2.gz BKGAUVXZRUMSKN-MELADBBJSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122902 371324643 /nfs/dbraw/zinc/32/46/43/371324643.db2.gz AVLLPKVRGDJPOX-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000624123525 371324865 /nfs/dbraw/zinc/32/48/65/371324865.db2.gz NPUUGENICQTFPM-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000624123523 371325204 /nfs/dbraw/zinc/32/52/04/371325204.db2.gz NPUUGENICQTFPM-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821374 372595093 /nfs/dbraw/zinc/59/50/93/372595093.db2.gz WJROGGZVZZHCAB-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821374 372595097 /nfs/dbraw/zinc/59/50/97/372595097.db2.gz WJROGGZVZZHCAB-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCO[C@@H]2C)C1 ZINC000631821374 372595102 /nfs/dbraw/zinc/59/51/02/372595102.db2.gz WJROGGZVZZHCAB-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839088 372607615 /nfs/dbraw/zinc/60/76/15/372607615.db2.gz AAPGWXSXSNHPNN-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839088 372607619 /nfs/dbraw/zinc/60/76/19/372607619.db2.gz AAPGWXSXSNHPNN-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000631828452 372609695 /nfs/dbraw/zinc/60/96/95/372609695.db2.gz PGVHPCOJPVSGSX-VOAKCMCISA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000631828452 372609696 /nfs/dbraw/zinc/60/96/96/372609696.db2.gz PGVHPCOJPVSGSX-VOAKCMCISA-N 1 3 226.364 1.328 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCCCO1 ZINC000631828898 372611726 /nfs/dbraw/zinc/61/17/26/372611726.db2.gz BAQQVRLVRWATRJ-IJLUTSLNSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@@H]1C[N@H+](CCCc2ccncc2)C[C@H]1CN ZINC000631837975 372632351 /nfs/dbraw/zinc/63/23/51/372632351.db2.gz HXFPEZKJRWTNGH-TZMCWYRMSA-N 1 3 233.359 1.541 20 0 BDADHO C[C@@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1CN ZINC000631837975 372632355 /nfs/dbraw/zinc/63/23/55/372632355.db2.gz HXFPEZKJRWTNGH-TZMCWYRMSA-N 1 3 233.359 1.541 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@H](N)C[C@H]2C)cc1 ZINC000631857928 372656038 /nfs/dbraw/zinc/65/60/38/372656038.db2.gz PAESEZHCAOZBJP-DGCLKSJQSA-N 1 3 234.343 1.659 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@H](N)C[C@H]2C)cc1 ZINC000631857928 372656042 /nfs/dbraw/zinc/65/60/42/372656042.db2.gz PAESEZHCAOZBJP-DGCLKSJQSA-N 1 3 234.343 1.659 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](N)C[C@@H]1C ZINC000631860854 372661819 /nfs/dbraw/zinc/66/18/19/372661819.db2.gz QUDVHJQVZRECRW-JQWIXIFHSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](N)C[C@@H]1C ZINC000631860854 372661824 /nfs/dbraw/zinc/66/18/24/372661824.db2.gz QUDVHJQVZRECRW-JQWIXIFHSA-N 1 3 222.336 1.003 20 0 BDADHO C([C@H]1CCCCO1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890093 372687316 /nfs/dbraw/zinc/68/73/16/372687316.db2.gz MCWNEHULHGQGNZ-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631890093 372687319 /nfs/dbraw/zinc/68/73/19/372687319.db2.gz MCWNEHULHGQGNZ-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C([C@H]1CCCCO1)[N@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631890093 372687320 /nfs/dbraw/zinc/68/73/20/372687320.db2.gz MCWNEHULHGQGNZ-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336888323 206040358 /nfs/dbraw/zinc/04/03/58/206040358.db2.gz FFIIVFFWQNUEOZ-XQQFMLRXSA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336888323 206040364 /nfs/dbraw/zinc/04/03/64/206040364.db2.gz FFIIVFFWQNUEOZ-XQQFMLRXSA-N 1 3 238.375 1.770 20 0 BDADHO COC[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424379624 206040429 /nfs/dbraw/zinc/04/04/29/206040429.db2.gz VUNNKMSNEIWWQE-IJLUTSLNSA-N 1 3 212.337 1.271 20 0 BDADHO CN1CCC([NH2+]C[C@@H](N)c2ccccc2)CC1 ZINC000437740542 206070923 /nfs/dbraw/zinc/07/09/23/206070923.db2.gz YRCWXWCUEORYQG-CQSZACIVSA-N 1 3 233.359 1.370 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000224437158 259574947 /nfs/dbraw/zinc/57/49/47/259574947.db2.gz JKSPJOMOMDJICK-FRRDWIJNSA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@H](COC)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224437158 259574948 /nfs/dbraw/zinc/57/49/48/259574948.db2.gz JKSPJOMOMDJICK-FRRDWIJNSA-N 1 3 228.380 1.874 20 0 BDADHO CCCC[C@H](N)C(=O)N(C)CC[NH+]1CCCC1 ZINC000063052829 169006103 /nfs/dbraw/zinc/00/61/03/169006103.db2.gz INLVGMKUUYOBKT-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336720570 169077190 /nfs/dbraw/zinc/07/71/90/169077190.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336720570 169077194 /nfs/dbraw/zinc/07/71/94/169077194.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336720570 169077195 /nfs/dbraw/zinc/07/71/95/169077195.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336720570 169077197 /nfs/dbraw/zinc/07/71/97/169077197.db2.gz WYXGAVJSYUHIFG-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336720571 169077211 /nfs/dbraw/zinc/07/72/11/169077211.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336720571 169077213 /nfs/dbraw/zinc/07/72/13/169077213.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336720571 169077215 /nfs/dbraw/zinc/07/72/15/169077215.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336720571 169077217 /nfs/dbraw/zinc/07/72/17/169077217.db2.gz WYXGAVJSYUHIFG-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000305707179 169165266 /nfs/dbraw/zinc/16/52/66/169165266.db2.gz YVGWAXIDRBFTEG-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CCCN(CCO)CC[C@@H]1CCC[N@H+]1C ZINC000305707179 169165267 /nfs/dbraw/zinc/16/52/67/169165267.db2.gz YVGWAXIDRBFTEG-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CCC[NH+]1CCC(NCCc2cn[nH]c2)CC1 ZINC000353632762 169188245 /nfs/dbraw/zinc/18/82/45/169188245.db2.gz USCSTXCLVWPWQU-UHFFFAOYSA-N 1 3 236.363 1.416 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000042543905 169189191 /nfs/dbraw/zinc/18/91/91/169189191.db2.gz BOFNKVLZXSJNIQ-CYBMUJFWSA-N 1 3 225.380 1.155 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCN(C)C2)CC1 ZINC000042543905 169189193 /nfs/dbraw/zinc/18/91/93/169189193.db2.gz BOFNKVLZXSJNIQ-CYBMUJFWSA-N 1 3 225.380 1.155 20 0 BDADHO CCCN1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000369155768 169203858 /nfs/dbraw/zinc/20/38/58/169203858.db2.gz LXZYBHMSTJZPRI-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO CCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374429009 169204457 /nfs/dbraw/zinc/20/44/57/169204457.db2.gz NNFCPVMWZSBNDK-FRRDWIJNSA-N 1 3 226.364 1.580 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256497 169210119 /nfs/dbraw/zinc/21/01/19/169210119.db2.gz LGGQIRCURAUPAC-JHJVBQTASA-N 1 3 208.349 1.813 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363256497 169210121 /nfs/dbraw/zinc/21/01/21/169210121.db2.gz LGGQIRCURAUPAC-JHJVBQTASA-N 1 3 208.349 1.813 20 0 BDADHO CCCN[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295188063 169274479 /nfs/dbraw/zinc/27/44/79/169274479.db2.gz WVJZSXQGWUCAMJ-JTQLQIEISA-N 1 3 235.331 1.472 20 0 BDADHO CCC[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128368513 169369892 /nfs/dbraw/zinc/36/98/92/169369892.db2.gz AHJXEIVUWGTEGC-CQSZACIVSA-N 1 3 241.423 1.792 20 0 BDADHO [NH3+]C1CCN(CC[C@H]2CCCCO2)CC1 ZINC000223645543 134341014 /nfs/dbraw/zinc/34/10/14/134341014.db2.gz XJFLGQCGXYEVIU-GFCCVEGCSA-N 1 3 212.337 1.369 20 0 BDADHO C([NH2+]C1CCNCC1)[C@@H]1CCCCS1 ZINC000087683981 383858701 /nfs/dbraw/zinc/85/87/01/383858701.db2.gz MZDOBHDHHMJOMA-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO C(NC1CC[NH2+]CC1)[C@@H]1CCCCS1 ZINC000087683981 383858711 /nfs/dbraw/zinc/85/87/11/383858711.db2.gz MZDOBHDHHMJOMA-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO COC[C@@H](NCC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795102 383875608 /nfs/dbraw/zinc/87/56/08/383875608.db2.gz ZSDLWABDJDLXAN-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@@H](NCC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795102 383875611 /nfs/dbraw/zinc/87/56/11/383875611.db2.gz ZSDLWABDJDLXAN-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000347795101 383875934 /nfs/dbraw/zinc/87/59/34/383875934.db2.gz ZSDLWABDJDLXAN-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@@H](NCC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000347795101 383875938 /nfs/dbraw/zinc/87/59/38/383875938.db2.gz ZSDLWABDJDLXAN-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2cccnc2)C1 ZINC000111695579 383877508 /nfs/dbraw/zinc/87/75/08/383877508.db2.gz RXVCTGGENBYTOL-GXTWGEPZSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H]1OCC[C@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000336420609 383832640 /nfs/dbraw/zinc/83/26/40/383832640.db2.gz WPWOAJWJVJIADI-BXUZGUMPSA-N 1 3 238.375 1.770 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2COCC2(C)C)CC1 ZINC000313127829 383920993 /nfs/dbraw/zinc/92/09/93/383920993.db2.gz WFNWORVFOUWKBX-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000643545079 384008827 /nfs/dbraw/zinc/00/88/27/384008827.db2.gz LUIYXKVVOJRZCN-CHWSQXEVSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000643545433 384010017 /nfs/dbraw/zinc/01/00/17/384010017.db2.gz UCILWVBNVLATRL-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO COCCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397326256 384083475 /nfs/dbraw/zinc/08/34/75/384083475.db2.gz ORZUOLYBNOORSX-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO COCCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397326256 384083482 /nfs/dbraw/zinc/08/34/82/384083482.db2.gz ORZUOLYBNOORSX-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO COCCCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397326256 384083489 /nfs/dbraw/zinc/08/34/89/384083489.db2.gz ORZUOLYBNOORSX-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000394103405 384101663 /nfs/dbraw/zinc/10/16/63/384101663.db2.gz WLPPEHDXZWXZBM-RWMBFGLXSA-N 1 3 228.380 1.358 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846956 384122821 /nfs/dbraw/zinc/12/28/21/384122821.db2.gz UUOLOCOEYLMSOH-NZISVWNOSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846956 384122824 /nfs/dbraw/zinc/12/28/24/384122824.db2.gz UUOLOCOEYLMSOH-NZISVWNOSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)CN1CCCC1 ZINC000310341334 384139145 /nfs/dbraw/zinc/13/91/45/384139145.db2.gz MTOQQUSCADXTHP-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000310341334 384139153 /nfs/dbraw/zinc/13/91/53/384139153.db2.gz MTOQQUSCADXTHP-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1ccc(C[N@@H+]2CCCO[C@@H](CN)C2)c(C)c1 ZINC000313343432 384272734 /nfs/dbraw/zinc/27/27/34/384272734.db2.gz BSSSAFOTJUPSIL-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1ccc(C[N@H+]2CCCO[C@@H](CN)C2)c(C)c1 ZINC000313343432 384272743 /nfs/dbraw/zinc/27/27/43/384272743.db2.gz BSSSAFOTJUPSIL-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO CCOCCC[N@H+](C)C1CCNCC1 ZINC000083552463 384311309 /nfs/dbraw/zinc/31/13/09/384311309.db2.gz GLLYFJUBPLELFO-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CCOCCC[N@@H+](C)C1CCNCC1 ZINC000083552463 384311321 /nfs/dbraw/zinc/31/13/21/384311321.db2.gz GLLYFJUBPLELFO-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CCOCCCN(C)C1CC[NH2+]CC1 ZINC000083552463 384311330 /nfs/dbraw/zinc/31/13/30/384311330.db2.gz GLLYFJUBPLELFO-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO C[C@H]1CN(C)CCN1CCC1CC[NH2+]CC1 ZINC000235578608 384302241 /nfs/dbraw/zinc/30/22/41/384302241.db2.gz RXNCCEYZWMKPIZ-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO CCCCOCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000084220397 384377054 /nfs/dbraw/zinc/37/70/54/384377054.db2.gz PPACKNTYMHRLSH-RYUDHWBXSA-N 1 3 214.353 1.520 20 0 BDADHO CCCCOCC[NH2+][C@H]1CCC[C@H]1CN ZINC000084220397 384377061 /nfs/dbraw/zinc/37/70/61/384377061.db2.gz PPACKNTYMHRLSH-RYUDHWBXSA-N 1 3 214.353 1.520 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cn[nH]c1 ZINC000305972633 384451864 /nfs/dbraw/zinc/45/18/64/384451864.db2.gz QCROLWFFRFJQQL-QWRGUYRKSA-N 1 3 234.347 1.545 20 0 BDADHO CCN(CC)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000236837560 384590667 /nfs/dbraw/zinc/59/06/67/384590667.db2.gz RPEDGLGBBYICMC-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000162170214 384582869 /nfs/dbraw/zinc/58/28/69/384582869.db2.gz OUSJYKRXRGBSBH-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCn2cnnc2C2CC2)C1 ZINC000568249462 384620640 /nfs/dbraw/zinc/62/06/40/384620640.db2.gz QYKLETMECXIOCC-NEPJUHHUSA-N 1 3 249.362 1.015 20 0 BDADHO Cn1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000647545753 384725899 /nfs/dbraw/zinc/72/58/99/384725899.db2.gz MHNPNSOBVQQDTK-QWHCGFSZSA-N 1 3 248.374 1.242 20 0 BDADHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000444173125 384681913 /nfs/dbraw/zinc/68/19/13/384681913.db2.gz SYFVDISQXLPXFA-CYBMUJFWSA-N 1 3 247.342 1.091 20 0 BDADHO C[C@@H]1C[C@H](NCC2=CCCOC2)CC[N@@H+]1C ZINC000309660045 384699696 /nfs/dbraw/zinc/69/96/96/384699696.db2.gz ASCXPOCDAAOIFU-DGCLKSJQSA-N 1 3 224.348 1.405 20 0 BDADHO C[C@@H]1C[C@H](NCC2=CCCOC2)CC[N@H+]1C ZINC000309660045 384699700 /nfs/dbraw/zinc/69/97/00/384699700.db2.gz ASCXPOCDAAOIFU-DGCLKSJQSA-N 1 3 224.348 1.405 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182971 384720248 /nfs/dbraw/zinc/72/02/48/384720248.db2.gz MDDODENHYHIVBM-RGOKHQFPSA-N 1 3 236.306 1.251 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000300380760 384732506 /nfs/dbraw/zinc/73/25/06/384732506.db2.gz DJEGGWAAHCEMMQ-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000300380760 384732511 /nfs/dbraw/zinc/73/25/11/384732511.db2.gz DJEGGWAAHCEMMQ-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](NC[C@H](N)c2ccccc2)C1 ZINC000647546573 384732724 /nfs/dbraw/zinc/73/27/24/384732724.db2.gz PWPMNEZCKJYVLB-YUTCNCBUSA-N 1 3 233.359 1.274 20 0 BDADHO [NH3+]CCOCCN1CCC[C@H]1c1ccccn1 ZINC000565661577 384766994 /nfs/dbraw/zinc/76/69/94/384766994.db2.gz ULCAJRNTBBYWQY-ZDUSSCGKSA-N 1 3 235.331 1.194 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[C@H](C)O1 ZINC000398179713 384829877 /nfs/dbraw/zinc/82/98/77/384829877.db2.gz SBKFKQLHCZBTJM-VOAKCMCISA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)O1 ZINC000398082011 384795807 /nfs/dbraw/zinc/79/58/07/384795807.db2.gz KIGAVIPITPKULS-YVECIDJPSA-N 1 3 226.364 1.661 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCC1(O)CCCCC1 ZINC000335040214 384813513 /nfs/dbraw/zinc/81/35/13/384813513.db2.gz CNDNDVJDCMPHFT-GHMZBOCLSA-N 1 3 212.337 1.151 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423398876 384853566 /nfs/dbraw/zinc/85/35/66/384853566.db2.gz PCRXSMZIEMODMQ-IXOXFDKPSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)(C)CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000300766376 384889049 /nfs/dbraw/zinc/88/90/49/384889049.db2.gz DXJQXGREESKDBH-TXEJJXNPSA-N 1 3 210.365 1.964 20 0 BDADHO CCC[C@H](N)C(=O)Nc1ccccc1C[NH2+]CC ZINC000236941007 384865829 /nfs/dbraw/zinc/86/58/29/384865829.db2.gz LUIHSUPRWNSAEQ-LBPRGKRZSA-N 1 3 249.358 1.862 20 0 BDADHO O[C@H](CNC1CC2(CCC2)C1)C[NH+]1CCCC1 ZINC000448060422 384904490 /nfs/dbraw/zinc/90/44/90/384904490.db2.gz LAUOAJLNWWRPBD-CYBMUJFWSA-N 1 3 238.375 1.365 20 0 BDADHO O[C@@H](CNC1CC2(CCC2)C1)C[NH+]1CCCC1 ZINC000448060423 384904524 /nfs/dbraw/zinc/90/45/24/384904524.db2.gz LAUOAJLNWWRPBD-ZDUSSCGKSA-N 1 3 238.375 1.365 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000644531492 384933854 /nfs/dbraw/zinc/93/38/54/384933854.db2.gz ZTFHFYGVPNQRPI-CHWSQXEVSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000644531492 384933856 /nfs/dbraw/zinc/93/38/56/384933856.db2.gz ZTFHFYGVPNQRPI-CHWSQXEVSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000644531492 384933863 /nfs/dbraw/zinc/93/38/63/384933863.db2.gz ZTFHFYGVPNQRPI-CHWSQXEVSA-N 1 3 228.380 1.467 20 0 BDADHO CCC(CC)(C[NH3+])C(=O)Nc1cccc(CN)c1 ZINC000647607544 384934584 /nfs/dbraw/zinc/93/45/84/384934584.db2.gz VUWUBGMHFRVRJZ-UHFFFAOYSA-N 1 3 249.358 1.849 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000128241775 384938777 /nfs/dbraw/zinc/93/87/77/384938777.db2.gz YAPSHFDAYZPXIJ-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CCc1ccc(CC[N@H+](C)C[C@H](O)CN)cc1 ZINC000258822854 384940163 /nfs/dbraw/zinc/94/01/63/384940163.db2.gz CXKZICUFHIHECF-CQSZACIVSA-N 1 3 236.359 1.043 20 0 BDADHO CCc1ccc(CC[N@@H+](C)C[C@H](O)CN)cc1 ZINC000258822854 384940169 /nfs/dbraw/zinc/94/01/69/384940169.db2.gz CXKZICUFHIHECF-CQSZACIVSA-N 1 3 236.359 1.043 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000087362984 384974642 /nfs/dbraw/zinc/97/46/42/384974642.db2.gz HHRAMLWQPCMAKD-GRYCIOLGSA-N 1 3 214.353 1.255 20 0 BDADHO CCCC[NH+]1CCC(N[C@H](C)[C@@H](C)O)CC1 ZINC000564857896 385117682 /nfs/dbraw/zinc/11/76/82/385117682.db2.gz ZTNNJUFWJTYKMX-VXGBXAGGSA-N 1 3 228.380 1.610 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCCCO1 ZINC000404879256 385120771 /nfs/dbraw/zinc/12/07/71/385120771.db2.gz YVXSEIUFXBWDFK-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000404879256 385120776 /nfs/dbraw/zinc/12/07/76/385120776.db2.gz YVXSEIUFXBWDFK-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644727900 385181635 /nfs/dbraw/zinc/18/16/35/385181635.db2.gz CSQHWKWOULPAGS-KGLIPLIRSA-N 1 3 248.374 1.218 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644727900 385181643 /nfs/dbraw/zinc/18/16/43/385181643.db2.gz CSQHWKWOULPAGS-KGLIPLIRSA-N 1 3 248.374 1.218 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644727901 385181680 /nfs/dbraw/zinc/18/16/80/385181680.db2.gz CSQHWKWOULPAGS-UONOGXRCSA-N 1 3 248.374 1.218 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644727901 385181686 /nfs/dbraw/zinc/18/16/86/385181686.db2.gz CSQHWKWOULPAGS-UONOGXRCSA-N 1 3 248.374 1.218 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H]1COCC1(C)C ZINC000313026670 385196893 /nfs/dbraw/zinc/19/68/93/385196893.db2.gz IGENAJSBJGGYRY-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN[C@@H]1COCC1(C)C ZINC000313026670 385196898 /nfs/dbraw/zinc/19/68/98/385196898.db2.gz IGENAJSBJGGYRY-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227540417 385159426 /nfs/dbraw/zinc/15/94/26/385159426.db2.gz WWZYGKBGEIAKAZ-KGLIPLIRSA-N 1 3 233.359 1.673 20 0 BDADHO CCCCOCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000404916710 385173767 /nfs/dbraw/zinc/17/37/67/385173767.db2.gz WOTPBDGGABEBAW-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO CCCCOCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000404916710 385173776 /nfs/dbraw/zinc/17/37/76/385173776.db2.gz WOTPBDGGABEBAW-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000157576993 385217974 /nfs/dbraw/zinc/21/79/74/385217974.db2.gz PIMFVWPUJYBDPW-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCO1 ZINC000157576993 385217982 /nfs/dbraw/zinc/21/79/82/385217982.db2.gz PIMFVWPUJYBDPW-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccccc1 ZINC000252714058 385220638 /nfs/dbraw/zinc/22/06/38/385220638.db2.gz QXFSWXYKJWRIFG-UKRRQHHQSA-N 1 3 248.370 1.995 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccccc1 ZINC000252714058 385220644 /nfs/dbraw/zinc/22/06/44/385220644.db2.gz QXFSWXYKJWRIFG-UKRRQHHQSA-N 1 3 248.370 1.995 20 0 BDADHO [NH3+]C1(CC(=O)Nc2ccc3c(c2)CNC3)CCC1 ZINC000647076304 385234224 /nfs/dbraw/zinc/23/42/24/385234224.db2.gz PKMNBKICWIICPQ-UHFFFAOYSA-N 1 3 245.326 1.500 20 0 BDADHO CCOC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158081418 385335463 /nfs/dbraw/zinc/33/54/63/385335463.db2.gz HTNYYIGEUYCTQX-GFCCVEGCSA-N 1 3 242.363 1.213 20 0 BDADHO CCOC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158081418 385335468 /nfs/dbraw/zinc/33/54/68/385335468.db2.gz HTNYYIGEUYCTQX-GFCCVEGCSA-N 1 3 242.363 1.213 20 0 BDADHO C[C@H](N)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000165113186 385351080 /nfs/dbraw/zinc/35/10/80/385351080.db2.gz UIDBOKOTWWIKAX-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](N)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000165113186 385351082 /nfs/dbraw/zinc/35/10/82/385351082.db2.gz UIDBOKOTWWIKAX-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CN1CC=C(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000308971375 385328272 /nfs/dbraw/zinc/32/82/72/385328272.db2.gz ZQMGTDKZMHVNDP-GFCCVEGCSA-N 1 3 226.389 1.591 20 0 BDADHO C[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000334430280 385421036 /nfs/dbraw/zinc/42/10/36/385421036.db2.gz VADFYAQFQWJMOF-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@H](C)OC)CC1 ZINC000182212423 385434552 /nfs/dbraw/zinc/43/45/52/385434552.db2.gz JRSNAEKYGNZJAQ-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO CCOCCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405318847 385482611 /nfs/dbraw/zinc/48/26/11/385482611.db2.gz QHUCKOPRTRJETA-ZJUUUORDSA-N 1 3 200.326 1.128 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H]2NCC2(C)C)c1 ZINC000644097367 385462309 /nfs/dbraw/zinc/46/23/09/385462309.db2.gz GKCYKUQRYILTSQ-LBPRGKRZSA-N 1 3 247.342 1.343 20 0 BDADHO COC1(CN2CC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000319151420 385550603 /nfs/dbraw/zinc/55/06/03/385550603.db2.gz JMMJKBZBIRNEGJ-ZDUSSCGKSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1CC1(C)C ZINC000309460930 385592584 /nfs/dbraw/zinc/59/25/84/385592584.db2.gz OUUZFJRBTFHNGH-NWDGAFQWSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645562 385627428 /nfs/dbraw/zinc/62/74/28/385627428.db2.gz HZUHCUBNNLRXTF-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645562 385627434 /nfs/dbraw/zinc/62/74/34/385627434.db2.gz HZUHCUBNNLRXTF-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](C[NH2+]C[C@H]1CCCN1)CC1CCOCC1 ZINC000414850468 385637749 /nfs/dbraw/zinc/63/77/49/385637749.db2.gz SHRLEYMFSTUVTP-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414851333 385653081 /nfs/dbraw/zinc/65/30/81/385653081.db2.gz UBEGVIBWKDFRQI-HUUCEWRRSA-N 1 3 247.386 1.761 20 0 BDADHO CCCN(C[C@H](O)C[N@H+](C)CC)C1CC1 ZINC000308790715 385653254 /nfs/dbraw/zinc/65/32/54/385653254.db2.gz AYIDIDQWNVQCHV-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO CCCN(C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000308790715 385653256 /nfs/dbraw/zinc/65/32/56/385653256.db2.gz AYIDIDQWNVQCHV-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000336684389 385671692 /nfs/dbraw/zinc/67/16/92/385671692.db2.gz JYCNMLCZLYNURH-QWRGUYRKSA-N 1 3 202.317 1.843 20 0 BDADHO CC[C@H](Cc1ccccc1)[NH2+]CCCN ZINC000116385724 385730554 /nfs/dbraw/zinc/73/05/54/385730554.db2.gz UDEWFYVJUOZNMZ-CYBMUJFWSA-N 1 3 206.333 1.946 20 0 BDADHO Fc1cccnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794155 385733481 /nfs/dbraw/zinc/73/34/81/385733481.db2.gz SEDCIVXFVBRMFH-IJLUTSLNSA-N 1 3 249.333 1.698 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414860714 385743715 /nfs/dbraw/zinc/74/37/15/385743715.db2.gz QIYZDKXSDGUWNR-TUAOUCFPSA-N 1 3 224.348 1.143 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414860714 385743718 /nfs/dbraw/zinc/74/37/18/385743718.db2.gz QIYZDKXSDGUWNR-TUAOUCFPSA-N 1 3 224.348 1.143 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC000414861810 385746440 /nfs/dbraw/zinc/74/64/40/385746440.db2.gz GKFSYMGBLJGENX-AVGNSLFASA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+]CCCNC)CCO1 ZINC000414861651 385752862 /nfs/dbraw/zinc/75/28/62/385752862.db2.gz SPXBEOQWERFWER-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CCN(CC)CCC[NH2+][C@](C)(CO)C(C)C ZINC000309670764 385784519 /nfs/dbraw/zinc/78/45/19/385784519.db2.gz VWMKGGMAQHICLG-CYBMUJFWSA-N 1 3 230.396 1.715 20 0 BDADHO CC[NH+](CC)CCCN[C@](C)(CO)C(C)C ZINC000309670764 385784523 /nfs/dbraw/zinc/78/45/23/385784523.db2.gz VWMKGGMAQHICLG-CYBMUJFWSA-N 1 3 230.396 1.715 20 0 BDADHO O=C(Nc1cccc2c1CCNC2)[C@H]1CCC[NH2+]1 ZINC000647799688 385800910 /nfs/dbraw/zinc/80/09/10/385800910.db2.gz OAXMPMURROTVLK-CYBMUJFWSA-N 1 3 245.326 1.023 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H](C)CCc1n[nH]c2ccccc12 ZINC000414947345 385803786 /nfs/dbraw/zinc/80/37/86/385803786.db2.gz UYJDWCOLJGAFPU-QWRGUYRKSA-N 1 3 246.358 1.821 20 0 BDADHO COC[C@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335570842 385806053 /nfs/dbraw/zinc/80/60/53/385806053.db2.gz VTNYHRZSSFXXBT-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO COC[C@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335570842 385806057 /nfs/dbraw/zinc/80/60/57/385806057.db2.gz VTNYHRZSSFXXBT-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)CC(F)F ZINC000647800731 385808577 /nfs/dbraw/zinc/80/85/77/385808577.db2.gz JOGRKBWZJBKVSL-YUMQZZPRSA-N 1 3 206.280 1.475 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647801583 385811976 /nfs/dbraw/zinc/81/19/76/385811976.db2.gz YRNQFLREZYXPHN-CIUDSAMLSA-N 1 3 208.296 1.993 20 0 BDADHO C[NH2+][C@H](C)CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000261681368 385826678 /nfs/dbraw/zinc/82/66/78/385826678.db2.gz HOGBHBHQTYRSJS-NTZNESFSSA-N 1 3 249.358 1.047 20 0 BDADHO CN(C[C@@H](O)C[NH3+])CC1CCC(C)(C)CC1 ZINC000336738094 385828450 /nfs/dbraw/zinc/82/84/50/385828450.db2.gz JZEKECZWBLVJHG-LBPRGKRZSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@H](CN)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414869145 385833398 /nfs/dbraw/zinc/83/33/98/385833398.db2.gz AEJYYZNWZNFCED-GFCCVEGCSA-N 1 3 248.370 1.739 20 0 BDADHO C[C@@H](C(=O)NCC[C@H](C)[NH3+])[C@@H](N)c1ccccc1 ZINC000262544649 385858297 /nfs/dbraw/zinc/85/82/97/385858297.db2.gz YVWQVYWEONEMIT-DMDPSCGWSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCNCC[C@H]1C ZINC000647804185 385840955 /nfs/dbraw/zinc/84/09/55/385840955.db2.gz KYEOWSKAYOUSOY-NOOOWODRSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H](N[C@@H]1CCS[C@H]1C)C1C[NH2+]C1 ZINC000647804173 385841392 /nfs/dbraw/zinc/84/13/92/385841392.db2.gz KQJFBEXCNDLTOJ-OYNCUSHFSA-N 1 3 200.351 1.078 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)C1CNC1 ZINC000647804173 385841395 /nfs/dbraw/zinc/84/13/95/385841395.db2.gz KQJFBEXCNDLTOJ-OYNCUSHFSA-N 1 3 200.351 1.078 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000366630315 385855776 /nfs/dbraw/zinc/85/57/76/385855776.db2.gz QPNUOTUPCKJBOI-CHWSQXEVSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000366630315 385855777 /nfs/dbraw/zinc/85/57/77/385855777.db2.gz QPNUOTUPCKJBOI-CHWSQXEVSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@H](O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000366630315 385855781 /nfs/dbraw/zinc/85/57/81/385855781.db2.gz QPNUOTUPCKJBOI-CHWSQXEVSA-N 1 3 228.380 1.419 20 0 BDADHO COC[C@]1(CN[C@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962406 385892520 /nfs/dbraw/zinc/89/25/20/385892520.db2.gz WBCDHRZYYSKBCY-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](CN)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414875608 385895054 /nfs/dbraw/zinc/89/50/54/385895054.db2.gz KBERJIHZXKWGIK-GFCCVEGCSA-N 1 3 240.391 1.910 20 0 BDADHO C(C[N@H+](C1CC1)C1CCNCC1)OCC1CC1 ZINC000647815244 385868485 /nfs/dbraw/zinc/86/84/85/385868485.db2.gz VSAXCNKESUKTAG-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[N@@H+](C1CC1)C1CCNCC1)OCC1CC1 ZINC000647815244 385868486 /nfs/dbraw/zinc/86/84/86/385868486.db2.gz VSAXCNKESUKTAG-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)COCC[N@H+](C1CC1)C1CCNCC1 ZINC000647814902 385868655 /nfs/dbraw/zinc/86/86/55/385868655.db2.gz KHVPLJNGEARSTP-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)COCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814902 385868661 /nfs/dbraw/zinc/86/86/61/385868661.db2.gz KHVPLJNGEARSTP-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250840549 385927891 /nfs/dbraw/zinc/92/78/91/385927891.db2.gz LUNUTPOMGLQPCF-CHWSQXEVSA-N 1 3 226.364 1.759 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000250840549 385927902 /nfs/dbraw/zinc/92/79/02/385927902.db2.gz LUNUTPOMGLQPCF-CHWSQXEVSA-N 1 3 226.364 1.759 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1CC[C@H]1CCCO1 ZINC000250840549 385927906 /nfs/dbraw/zinc/92/79/06/385927906.db2.gz LUNUTPOMGLQPCF-CHWSQXEVSA-N 1 3 226.364 1.759 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccn(C)c2)C1 ZINC000353562704 385877067 /nfs/dbraw/zinc/87/70/67/385877067.db2.gz BMTVJIWCTBDVDF-LBPRGKRZSA-N 1 3 221.348 1.409 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000353562704 385877070 /nfs/dbraw/zinc/87/70/70/385877070.db2.gz BMTVJIWCTBDVDF-LBPRGKRZSA-N 1 3 221.348 1.409 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOCC3CC3)C[C@@H]21 ZINC000342088606 385936102 /nfs/dbraw/zinc/93/61/02/385936102.db2.gz ADRCXNCNJJPVPY-MELADBBJSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335046042 385940712 /nfs/dbraw/zinc/94/07/12/385940712.db2.gz ZAQOGDXGMXGGFY-QWHCGFSZSA-N 1 3 240.391 1.659 20 0 BDADHO CC[NH+](CC)CCCN(C)[C@H]1CCCC[C@@H]1O ZINC000338305382 385951068 /nfs/dbraw/zinc/95/10/68/385951068.db2.gz JWWZXQOLDMPPLV-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H]1CCCC[C@@H]1O ZINC000338305382 385951073 /nfs/dbraw/zinc/95/10/73/385951073.db2.gz JWWZXQOLDMPPLV-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCCC[C@@H]1O ZINC000338305382 385951079 /nfs/dbraw/zinc/95/10/79/385951079.db2.gz JWWZXQOLDMPPLV-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CC[NH+](CC)CCCN(C)[C@@H]1CCCC[C@H]1O ZINC000338305394 385952689 /nfs/dbraw/zinc/95/26/89/385952689.db2.gz JWWZXQOLDMPPLV-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000338305394 385952694 /nfs/dbraw/zinc/95/26/94/385952694.db2.gz JWWZXQOLDMPPLV-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000338305394 385952697 /nfs/dbraw/zinc/95/26/97/385952697.db2.gz JWWZXQOLDMPPLV-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO c1cc(C[NH2+][C@@H]2CCCOCC2)cc2c1CNC2 ZINC000335057838 385958944 /nfs/dbraw/zinc/95/89/44/385958944.db2.gz DVMWJUKORDSTKL-OAHLLOKOSA-N 1 3 246.354 1.949 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)C[C@@H]1C ZINC000338317191 385965756 /nfs/dbraw/zinc/96/57/56/385965756.db2.gz MRCYLYGMPJATBH-ZDUSSCGKSA-N 1 3 227.396 1.354 20 0 BDADHO COC1(CN2CC[C@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000309504239 386013361 /nfs/dbraw/zinc/01/33/61/386013361.db2.gz MOAJWTLPQBCLRA-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@@H+]2CC[C@H](N)[C@H](C)C2)CCCC1 ZINC000309504239 386013365 /nfs/dbraw/zinc/01/33/65/386013365.db2.gz MOAJWTLPQBCLRA-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2CC[C@H](N)[C@H](C)C2)CCCC1 ZINC000309504239 386013368 /nfs/dbraw/zinc/01/33/68/386013368.db2.gz MOAJWTLPQBCLRA-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO [NH3+]C1(CNC2CCC(O)CC2)CCCCCC1 ZINC000335061448 386026004 /nfs/dbraw/zinc/02/60/04/386026004.db2.gz UOEWORXHVJECHZ-UHFFFAOYSA-N 1 3 240.391 1.931 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CNC3)CCO1 ZINC000335064052 386034863 /nfs/dbraw/zinc/03/48/63/386034863.db2.gz RSYXANPLRQDXRE-IAQYHMDHSA-N 1 3 246.354 1.947 20 0 BDADHO CO[C@H](CN(C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424215 386043090 /nfs/dbraw/zinc/04/30/90/386043090.db2.gz WADZOEZLBPWHNN-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424215 386043097 /nfs/dbraw/zinc/04/30/97/386043097.db2.gz WADZOEZLBPWHNN-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO c1ccc(CNCCC[C@H]2CCC[NH2+]2)nc1 ZINC000414979467 386045508 /nfs/dbraw/zinc/04/55/08/386045508.db2.gz VEMRTOSOZJCPHT-LBPRGKRZSA-N 1 3 219.332 1.703 20 0 BDADHO C[C@@H](CN)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414884243 386045589 /nfs/dbraw/zinc/04/55/89/386045589.db2.gz VXRPFNAZNVAERO-RYUDHWBXSA-N 1 3 228.380 1.624 20 0 BDADHO COC(=O)c1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000414884793 386050006 /nfs/dbraw/zinc/05/00/06/386050006.db2.gz WGXVRYVOCNDXCX-SNVBAGLBSA-N 1 3 236.315 1.158 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2ccc(OC)cc2C1 ZINC000414986861 386114933 /nfs/dbraw/zinc/11/49/33/386114933.db2.gz JQXDLIKDHKELNA-ZIAGYGMSSA-N 1 3 248.370 1.879 20 0 BDADHO N[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000414890136 386119670 /nfs/dbraw/zinc/11/96/70/386119670.db2.gz HCXQCAXKYGKIHY-LBPRGKRZSA-N 1 3 230.315 1.390 20 0 BDADHO Cc1cc(CNCC2CC[NH+](C)CC2)nn1C ZINC000414324559 386120941 /nfs/dbraw/zinc/12/09/41/386120941.db2.gz IUGDYDAHNYZFFS-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000345224154 386070963 /nfs/dbraw/zinc/07/09/63/386070963.db2.gz CBUNPLWGCCFQOH-ZDUSSCGKSA-N 1 3 238.379 1.592 20 0 BDADHO COC(=O)[C@@H]1CCCN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673870 386146117 /nfs/dbraw/zinc/14/61/17/386146117.db2.gz CZLBAFWGFWMELO-WOPDTQHZSA-N 1 3 240.347 1.012 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN(C)[C@H]1CCN(C2CC2)C1 ZINC000414692227 386183247 /nfs/dbraw/zinc/18/32/47/386183247.db2.gz KLDMQOQYBSFLEH-OCCSQVGLSA-N 1 3 239.407 1.528 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000414988082 386127356 /nfs/dbraw/zinc/12/73/56/386127356.db2.gz LEEGODAJUCERBA-GFCCVEGCSA-N 1 3 222.332 1.831 20 0 BDADHO Cc1cnccc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000296793414 386203602 /nfs/dbraw/zinc/20/36/02/386203602.db2.gz MEWYGQYUKPLCGC-OKILXGFUSA-N 1 3 231.343 1.383 20 0 BDADHO Cc1cnccc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000296793414 386203607 /nfs/dbraw/zinc/20/36/07/386203607.db2.gz MEWYGQYUKPLCGC-OKILXGFUSA-N 1 3 231.343 1.383 20 0 BDADHO CS[C@@H]1CCCC[N@H+](CCCN)C1 ZINC000414699762 386203920 /nfs/dbraw/zinc/20/39/20/386203920.db2.gz FJMNTHFANUMNAJ-SNVBAGLBSA-N 1 3 202.367 1.553 20 0 BDADHO CS[C@@H]1CCCC[N@@H+](CCCN)C1 ZINC000414699762 386203926 /nfs/dbraw/zinc/20/39/26/386203926.db2.gz FJMNTHFANUMNAJ-SNVBAGLBSA-N 1 3 202.367 1.553 20 0 BDADHO CS[C@@H]1CCCCN(CCC[NH3+])C1 ZINC000414699762 386203930 /nfs/dbraw/zinc/20/39/30/386203930.db2.gz FJMNTHFANUMNAJ-SNVBAGLBSA-N 1 3 202.367 1.553 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@H](CN)C1 ZINC000347038900 386225759 /nfs/dbraw/zinc/22/57/59/386225759.db2.gz IYWPGSUJJUDAEK-GXTWGEPZSA-N 1 3 240.391 1.720 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@H](CN)C1 ZINC000347038900 386225762 /nfs/dbraw/zinc/22/57/62/386225762.db2.gz IYWPGSUJJUDAEK-GXTWGEPZSA-N 1 3 240.391 1.720 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336645519 386250703 /nfs/dbraw/zinc/25/07/03/386250703.db2.gz IBWQEJSMLWCNPN-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336645519 386250706 /nfs/dbraw/zinc/25/07/06/386250706.db2.gz IBWQEJSMLWCNPN-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414997886 386197373 /nfs/dbraw/zinc/19/73/73/386197373.db2.gz ZYVKXENPHOAPCZ-QCNOEVLYSA-N 1 3 224.348 1.271 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414997880 386197388 /nfs/dbraw/zinc/19/73/88/386197388.db2.gz ZYVKXENPHOAPCZ-IRCOFANPSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+]CCCN1CCNC[C@@H]1c1cccc(F)c1 ZINC000414729954 386282242 /nfs/dbraw/zinc/28/22/42/386282242.db2.gz FRWULKMLPACBQM-CYBMUJFWSA-N 1 3 237.322 1.121 20 0 BDADHO CC(C)C[C@H]([NH2+]C(C)C)C(=O)NCCN(C)C ZINC000347217258 386286398 /nfs/dbraw/zinc/28/63/98/386286398.db2.gz ZIYWPEPYOVPWJO-LBPRGKRZSA-N 1 3 243.395 1.077 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCCC2(CCOCC2)C1 ZINC000647885953 386292054 /nfs/dbraw/zinc/29/20/54/386292054.db2.gz SZGYRYAYGJLLAN-CYBMUJFWSA-N 1 3 238.375 1.489 20 0 BDADHO Cc1noc(CCCN[C@H](C[NH3+])C(C)(C)C)n1 ZINC000647988066 386294582 /nfs/dbraw/zinc/29/45/82/386294582.db2.gz KPGFMTDOBYWQKZ-SNVBAGLBSA-N 1 3 240.351 1.274 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000414734437 386298936 /nfs/dbraw/zinc/29/89/36/386298936.db2.gz DWGLUNKDVXNYLK-MCIONIFRSA-N 1 3 240.391 1.718 20 0 BDADHO CCN(CC)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000236842318 386318563 /nfs/dbraw/zinc/31/85/63/386318563.db2.gz PFDXRPNLWSMZLR-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO NCCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414740823 386322167 /nfs/dbraw/zinc/32/21/67/386322167.db2.gz KFHQCNVYPNCBDK-GFCCVEGCSA-N 1 3 212.337 1.084 20 0 BDADHO NCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000414740823 386322173 /nfs/dbraw/zinc/32/21/73/386322173.db2.gz KFHQCNVYPNCBDK-GFCCVEGCSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@H](O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336653357 386269245 /nfs/dbraw/zinc/26/92/45/386269245.db2.gz YESKFSHIFRBIGX-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336653357 386269248 /nfs/dbraw/zinc/26/92/48/386269248.db2.gz YESKFSHIFRBIGX-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428039474 386271106 /nfs/dbraw/zinc/27/11/06/386271106.db2.gz FGLYGPVADCYIQD-KBPBESRZSA-N 1 3 248.374 1.265 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1cn2ccccc2n1 ZINC000415006824 386341171 /nfs/dbraw/zinc/34/11/71/386341171.db2.gz AMBRQUPPMCLSIL-GFCCVEGCSA-N 1 3 246.358 1.941 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@@H](C3CC3)C2)CC[NH2+]1 ZINC000414748042 386360357 /nfs/dbraw/zinc/36/03/57/386360357.db2.gz UBGTXONFJMMING-MBNYWOFBSA-N 1 3 238.375 1.485 20 0 BDADHO CN(C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347377561 386372583 /nfs/dbraw/zinc/37/25/83/386372583.db2.gz DARINCGXIXLGEQ-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@]1(C)C[C@H](N(C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890707 386380964 /nfs/dbraw/zinc/38/09/64/386380964.db2.gz HVSCLYQPKLDMRQ-SGMGOOAPSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000336698621 386385500 /nfs/dbraw/zinc/38/55/00/386385500.db2.gz WVSBZASHWCNEOI-MELADBBJSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000336698621 386385505 /nfs/dbraw/zinc/38/55/05/386385505.db2.gz WVSBZASHWCNEOI-MELADBBJSA-N 1 3 240.391 1.970 20 0 BDADHO COc1cccc2c1CCN(CCC[NH3+])CC2 ZINC000414743153 386334489 /nfs/dbraw/zinc/33/44/89/386334489.db2.gz ODNZWZFPRLMHGF-UHFFFAOYSA-N 1 3 234.343 1.445 20 0 BDADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000336718828 386442770 /nfs/dbraw/zinc/44/27/70/386442770.db2.gz XIGIDLCRUHVMAK-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCOC1 ZINC000336718828 386442776 /nfs/dbraw/zinc/44/27/76/386442776.db2.gz XIGIDLCRUHVMAK-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H](O)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000336703717 386390475 /nfs/dbraw/zinc/39/04/75/386390475.db2.gz BQJAMSMSJSVKOC-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](O)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000336703717 386390478 /nfs/dbraw/zinc/39/04/78/386390478.db2.gz BQJAMSMSJSVKOC-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](O)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000336703722 386390545 /nfs/dbraw/zinc/39/05/45/386390545.db2.gz BQJAMSMSJSVKOC-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](O)CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000336703722 386390549 /nfs/dbraw/zinc/39/05/49/386390549.db2.gz BQJAMSMSJSVKOC-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@](C)(CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336704252 386393062 /nfs/dbraw/zinc/39/30/62/386393062.db2.gz PTAFEPPPCQQHOD-RWMBFGLXSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336704252 386393063 /nfs/dbraw/zinc/39/30/63/386393063.db2.gz PTAFEPPPCQQHOD-RWMBFGLXSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000336704252 386393064 /nfs/dbraw/zinc/39/30/64/386393064.db2.gz PTAFEPPPCQQHOD-RWMBFGLXSA-N 1 3 226.364 1.364 20 0 BDADHO CCC[C@]1(CO)CCCN1C[C@@H]([NH3+])CC(C)C ZINC000414756516 386399680 /nfs/dbraw/zinc/39/96/80/386399680.db2.gz JXGDUYUMNZEIAX-UONOGXRCSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415042519 386529231 /nfs/dbraw/zinc/52/92/31/386529231.db2.gz QPWNUKHBOUPOBG-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415011111 386485009 /nfs/dbraw/zinc/48/50/09/386485009.db2.gz QDSCNCVDZODPLZ-RKDXNWHRSA-N 1 3 218.304 1.388 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CNCCC1CCCCCC1 ZINC000414778188 386486679 /nfs/dbraw/zinc/48/66/79/386486679.db2.gz DYCWTNKQZYLULR-UONOGXRCSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@]1(C)CCCO1 ZINC000340366519 386505153 /nfs/dbraw/zinc/50/51/53/386505153.db2.gz PJPPKTBEBSSSSA-CHWSQXEVSA-N 1 3 244.379 1.112 20 0 BDADHO CC[C@H](C)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784150 386506865 /nfs/dbraw/zinc/50/68/65/386506865.db2.gz QVWBIRQOFYIJLS-QWHCGFSZSA-N 1 3 240.391 1.720 20 0 BDADHO CC[C@H](C)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414784150 386506869 /nfs/dbraw/zinc/50/68/69/386506869.db2.gz QVWBIRQOFYIJLS-QWHCGFSZSA-N 1 3 240.391 1.720 20 0 BDADHO c1cncc([C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000335448008 386515049 /nfs/dbraw/zinc/51/50/49/386515049.db2.gz JIBRRIITQQUPDI-HIFRSBDPSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000335448008 386515057 /nfs/dbraw/zinc/51/50/57/386515057.db2.gz JIBRRIITQQUPDI-HIFRSBDPSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000335448008 386515063 /nfs/dbraw/zinc/51/50/63/386515063.db2.gz JIBRRIITQQUPDI-HIFRSBDPSA-N 1 3 245.370 1.871 20 0 BDADHO CC[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032517 386519046 /nfs/dbraw/zinc/51/90/46/386519046.db2.gz HMDRKUCFZVKHEH-FHUSYTEZSA-N 1 3 208.349 1.763 20 0 BDADHO COc1cc(C)nc(CN[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415030719 386519474 /nfs/dbraw/zinc/51/94/74/386519474.db2.gz FYSGOMBXFJGSOP-RYUDHWBXSA-N 1 3 249.358 1.616 20 0 BDADHO CCOc1cccc(CN[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415033148 386520941 /nfs/dbraw/zinc/52/09/41/386520941.db2.gz IQFWMXFNALLKJA-VXGBXAGGSA-N 1 3 249.358 1.697 20 0 BDADHO C[C@@H]1OCC[C@]1(C)NCC[C@H]1CCC[N@@H+]1C ZINC000336780164 386521388 /nfs/dbraw/zinc/52/13/88/386521388.db2.gz QPSFPMYUBBIAGJ-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1OCC[C@]1(C)NCC[C@H]1CCC[N@H+]1C ZINC000336780164 386521391 /nfs/dbraw/zinc/52/13/91/386521391.db2.gz QPSFPMYUBBIAGJ-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC2(C)C)CCO1 ZINC000415037984 386523936 /nfs/dbraw/zinc/52/39/36/386523936.db2.gz LRDCIOADEIILRO-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO CCCC[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000415035973 386524387 /nfs/dbraw/zinc/52/43/87/386524387.db2.gz JMDQVDROYMRDPJ-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO CCc1ccccc1[C@@H](N)CN[C@@H]1CCC[NH2+]C1 ZINC000415044218 386530442 /nfs/dbraw/zinc/53/04/42/386530442.db2.gz BLLZTOIJQRQPJO-HIFRSBDPSA-N 1 3 247.386 1.590 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)NCC[C@H]1CCOC1 ZINC000414911574 386456397 /nfs/dbraw/zinc/45/63/97/386456397.db2.gz WNPDJUHNQOCWDC-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000395208751 386460338 /nfs/dbraw/zinc/46/03/38/386460338.db2.gz ZTMJAZQUZSHAJG-NEPJUHHUSA-N 1 3 241.379 1.023 20 0 BDADHO CCN1CCCC[C@@H]1CNC[C@]1(C)CC[NH2+]C1 ZINC000415074297 386574992 /nfs/dbraw/zinc/57/49/92/386574992.db2.gz CGCOERKZDCZCHT-ZIAGYGMSSA-N 1 3 239.407 1.450 20 0 BDADHO Cc1ccc2ncc(C[NH2+][C@H](CN)C3CC3)n2c1 ZINC000414800516 386587414 /nfs/dbraw/zinc/58/74/14/386587414.db2.gz KZDWWUXUOVTFLG-CYBMUJFWSA-N 1 3 244.342 1.470 20 0 BDADHO CCN1CCCC[C@H]1C[NH2+]C[C@H](N)CC(C)C ZINC000415082012 386598744 /nfs/dbraw/zinc/59/87/44/386598744.db2.gz NQMBSOUVPKFAGY-KGLIPLIRSA-N 1 3 241.423 1.824 20 0 BDADHO c1cncc([C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)c1 ZINC000647995326 386537952 /nfs/dbraw/zinc/53/79/52/386537952.db2.gz OZKDJGMNQUKKIP-GXTWGEPZSA-N 1 3 231.343 1.480 20 0 BDADHO c1ccc2c(c1)CCC([NH2+]CC1CNC1)CC2 ZINC000335459736 386541009 /nfs/dbraw/zinc/54/10/09/386541009.db2.gz CXRBZWGPWXOBKU-UHFFFAOYSA-N 1 3 230.355 1.743 20 0 BDADHO CN1CCC([NH2+][C@@H](CN)C2CCCC2)CC1 ZINC000415070854 386557059 /nfs/dbraw/zinc/55/70/59/386557059.db2.gz VRDPNMUBSIGKLZ-ZDUSSCGKSA-N 1 3 225.380 1.188 20 0 BDADHO COC[C@H](CC(C)C)NCCC[NH2+]C1CC1 ZINC000415072532 386562800 /nfs/dbraw/zinc/56/28/00/386562800.db2.gz WMQURSBURURFAZ-ZDUSSCGKSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]CCCNC1CC1 ZINC000415072532 386562808 /nfs/dbraw/zinc/56/28/08/386562808.db2.gz WMQURSBURURFAZ-ZDUSSCGKSA-N 1 3 228.380 1.779 20 0 BDADHO CCc1ccccc1[C@@H](N)CNC1CC[NH2+]CC1 ZINC000415072394 386562897 /nfs/dbraw/zinc/56/28/97/386562897.db2.gz YCLWRYSNRBWVAS-HNNXBMFYSA-N 1 3 247.386 1.590 20 0 BDADHO CCN1CCCC[C@H]1CNCC[NH2+]C(C)(C)C ZINC000415075421 386569559 /nfs/dbraw/zinc/56/95/59/386569559.db2.gz FGPZWQIGKXGACU-ZDUSSCGKSA-N 1 3 241.423 1.839 20 0 BDADHO C[C@@H](N[C@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497932 386622966 /nfs/dbraw/zinc/62/29/66/386622966.db2.gz AZYAWOANITWPRQ-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000339779886 386628970 /nfs/dbraw/zinc/62/89/70/386628970.db2.gz MPQQZDVBIHETGP-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H](O)CC1 ZINC000339779886 386628973 /nfs/dbraw/zinc/62/89/73/386628973.db2.gz MPQQZDVBIHETGP-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CC[C@H]1C[C@@H](CN(C)CCC[NH2+]C)CCO1 ZINC000415138986 386633656 /nfs/dbraw/zinc/63/36/56/386633656.db2.gz WBUDDETWKIPVJI-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H]1C[C@@H](C[N@H+](C)CCCNC)CCO1 ZINC000415138986 386633659 /nfs/dbraw/zinc/63/36/59/386633659.db2.gz WBUDDETWKIPVJI-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H]1C[C@@H](C[N@@H+](C)CCCNC)CCO1 ZINC000415138986 386633662 /nfs/dbraw/zinc/63/36/62/386633662.db2.gz WBUDDETWKIPVJI-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCO[C@H]2C)cc1 ZINC000414815573 386650308 /nfs/dbraw/zinc/65/03/08/386650308.db2.gz XQKJDJWAFYMYGN-COPLHBTASA-N 1 3 234.343 1.973 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H](C[NH3+])C1CC1 ZINC000414805706 386605169 /nfs/dbraw/zinc/60/51/69/386605169.db2.gz MKLXDWBAKVTFQP-RYUDHWBXSA-N 1 3 214.353 1.374 20 0 BDADHO C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CNCCCO1 ZINC000335489392 386607929 /nfs/dbraw/zinc/60/79/29/386607929.db2.gz VLJHLKIBNXEJSO-NWDGAFQWSA-N 1 3 224.348 1.287 20 0 BDADHO C(N[C@@H]1CCC12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335489392 386607934 /nfs/dbraw/zinc/60/79/34/386607934.db2.gz VLJHLKIBNXEJSO-NWDGAFQWSA-N 1 3 224.348 1.287 20 0 BDADHO CN(CCOCC[NH3+])CCc1ccc(F)cc1 ZINC000357079020 386710397 /nfs/dbraw/zinc/71/03/97/386710397.db2.gz CHMHVHDQEBANCY-UHFFFAOYSA-N 1 3 240.322 1.275 20 0 BDADHO CCN(C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000042471338 386686548 /nfs/dbraw/zinc/68/65/48/386686548.db2.gz LEQPRSXEEDVMLO-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414926992 386689413 /nfs/dbraw/zinc/68/94/13/386689413.db2.gz KODUQBAEAAICHC-VNHYZAJKSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414926992 386689420 /nfs/dbraw/zinc/68/94/20/386689420.db2.gz KODUQBAEAAICHC-VNHYZAJKSA-N 1 3 247.386 1.759 20 0 BDADHO CN(CCOCC[NH3+])Cc1cc2ccccc2o1 ZINC000357074691 386711972 /nfs/dbraw/zinc/71/19/72/386711972.db2.gz NCXXHCLXUQPCLR-UHFFFAOYSA-N 1 3 248.326 1.840 20 0 BDADHO C[C@@H](N)CC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414828061 386699625 /nfs/dbraw/zinc/69/96/25/386699625.db2.gz YVHZTWHDUFOMIK-VXGBXAGGSA-N 1 3 228.380 1.766 20 0 BDADHO CC[NH2+]CCNC[C@H]1CCO[C@H](CC)C1 ZINC000414829232 386702349 /nfs/dbraw/zinc/70/23/49/386702349.db2.gz MABZYXKREJLOLF-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414832243 386716659 /nfs/dbraw/zinc/71/66/59/386716659.db2.gz FEMNKDLDPNNREA-UMSGYPCISA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414832243 386716667 /nfs/dbraw/zinc/71/66/67/386716667.db2.gz FEMNKDLDPNNREA-UMSGYPCISA-N 1 3 238.375 1.389 20 0 BDADHO c1cnn([C@H]2CCCC[C@H]2[NH2+]C2CCNCC2)c1 ZINC000335541662 386723239 /nfs/dbraw/zinc/72/32/39/386723239.db2.gz DRHMKCWRGCAQIP-KGLIPLIRSA-N 1 3 248.374 1.708 20 0 BDADHO c1cnn([C@H]2CCCC[C@H]2NC2CC[NH2+]CC2)c1 ZINC000335541662 386723244 /nfs/dbraw/zinc/72/32/44/386723244.db2.gz DRHMKCWRGCAQIP-KGLIPLIRSA-N 1 3 248.374 1.708 20 0 BDADHO C[C@]1(CN2CCC[C@H]2CCCO)CC[NH2+]C1 ZINC000340700390 386747124 /nfs/dbraw/zinc/74/71/24/386747124.db2.gz HOSGXFXVJZAZPG-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO Cn1ccc(CN2CCCC[C@H]2CC[NH3+])cc1=O ZINC000647964947 386749295 /nfs/dbraw/zinc/74/92/95/386749295.db2.gz QOEIGAUKYYASED-ZDUSSCGKSA-N 1 3 249.358 1.089 20 0 BDADHO COC1CCC([NH2+]C[C@@H]2CCCN2)CC1 ZINC000414841203 386752225 /nfs/dbraw/zinc/75/22/25/386752225.db2.gz HLFMYQCHRMZILL-CXQJBGSLSA-N 1 3 212.337 1.286 20 0 BDADHO Cc1c[nH]nc1CNCC1CC[NH+](C2CC2)CC1 ZINC000352860968 386769646 /nfs/dbraw/zinc/76/96/46/386769646.db2.gz DEZPEFLYHVOKRT-UHFFFAOYSA-N 1 3 248.374 1.682 20 0 BDADHO C[NH2+]C[C@H](C)CNC1Cc2ccccc2C1 ZINC000414841389 386755557 /nfs/dbraw/zinc/75/55/57/386755557.db2.gz NVDLEEYWPRJWBF-NSHDSACASA-N 1 3 218.344 1.599 20 0 BDADHO COc1cc(C[NH2+][C@H](C)CN)ccc1SC ZINC000414930982 386767052 /nfs/dbraw/zinc/76/70/52/386767052.db2.gz PYMZICJHKCNKBH-SECBINFHSA-N 1 3 240.372 1.854 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414844977 386786736 /nfs/dbraw/zinc/78/67/36/386786736.db2.gz RZTYCMHGNOIUOJ-RYUDHWBXSA-N 1 3 228.380 1.637 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+]C2(C)CCNCC2)CCO1 ZINC000414936112 386823256 /nfs/dbraw/zinc/82/32/56/386823256.db2.gz GOPQDPZPZPODIV-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H](N)c1ccccc1 ZINC000417845544 386804532 /nfs/dbraw/zinc/80/45/32/386804532.db2.gz RZPAKIABZLGOTN-DRZSPHRISA-N 1 3 247.342 1.025 20 0 BDADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417858232 386805235 /nfs/dbraw/zinc/80/52/35/386805235.db2.gz UWAKKMFHLQMCNF-GRYCIOLGSA-N 1 3 241.379 1.008 20 0 BDADHO NCC1(C[NH2+][C@H]2CCCc3cc(N)ccc32)CC1 ZINC000414936475 386831292 /nfs/dbraw/zinc/83/12/92/386831292.db2.gz UXZDZDMTKHNFBZ-AWEZNQCLSA-N 1 3 245.370 1.975 20 0 BDADHO Nc1ccc2c(c1)CCC[C@@H]2NCC1(C[NH3+])CC1 ZINC000414936475 386831296 /nfs/dbraw/zinc/83/12/96/386831296.db2.gz UXZDZDMTKHNFBZ-AWEZNQCLSA-N 1 3 245.370 1.975 20 0 BDADHO Cc1ncccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000334845197 386892182 /nfs/dbraw/zinc/89/21/82/386892182.db2.gz JOFPFTFREVLZSF-OLZOCXBDSA-N 1 3 219.332 1.750 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414942723 386893733 /nfs/dbraw/zinc/89/37/33/386893733.db2.gz KODUQBAEAAICHC-KCQAQPDRSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414942723 386893739 /nfs/dbraw/zinc/89/37/39/386893739.db2.gz KODUQBAEAAICHC-KCQAQPDRSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)CN)C1 ZINC000414942721 386894661 /nfs/dbraw/zinc/89/46/61/386894661.db2.gz KODUQBAEAAICHC-GUTXKFCHSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H](C)C[NH3+])C1 ZINC000414942721 386894667 /nfs/dbraw/zinc/89/46/67/386894667.db2.gz KODUQBAEAAICHC-GUTXKFCHSA-N 1 3 247.386 1.759 20 0 BDADHO COC[C@@]1(C[NH2+][C@@H]2CCCSC2)CCCN1 ZINC000414941883 386896224 /nfs/dbraw/zinc/89/62/24/386896224.db2.gz JNMHMOGLXRPLCO-NEPJUHHUSA-N 1 3 244.404 1.240 20 0 BDADHO CC[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265388 386924441 /nfs/dbraw/zinc/92/44/41/386924441.db2.gz ZUZLJGGHBAKSTJ-CABCVRRESA-N 1 3 248.370 1.794 20 0 BDADHO CC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265388 386924444 /nfs/dbraw/zinc/92/44/44/386924444.db2.gz ZUZLJGGHBAKSTJ-CABCVRRESA-N 1 3 248.370 1.794 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000334872261 386933142 /nfs/dbraw/zinc/93/31/42/386933142.db2.gz CNXUTTSPUVEWBB-PELKAZGASA-N 1 3 224.735 1.744 20 0 BDADHO c1ccc2c(c1)CC([NH2+]C[C@@H]1CNCCCO1)C2 ZINC000334875553 386937087 /nfs/dbraw/zinc/93/70/87/386937087.db2.gz VCCUXRHLNZVXLR-HNNXBMFYSA-N 1 3 246.354 1.122 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000358358338 386941741 /nfs/dbraw/zinc/94/17/41/386941741.db2.gz RREUNXDLHWQZLZ-STQMWFEESA-N 1 3 248.374 1.257 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000358358338 386941746 /nfs/dbraw/zinc/94/17/46/386941746.db2.gz RREUNXDLHWQZLZ-STQMWFEESA-N 1 3 248.374 1.257 20 0 BDADHO Cc1cc(N[C@H]2CCCN(C)[C@@H]2C)cc[nH+]1 ZINC000336745732 387007419 /nfs/dbraw/zinc/00/74/19/387007419.db2.gz QWEVWPKSGOUKLH-YPMHNXCESA-N 1 3 219.332 1.707 20 0 BDADHO CN(CC1(C)COC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352923766 386967750 /nfs/dbraw/zinc/96/77/50/386967750.db2.gz WZJRGODHESDCBB-FUNVUKJBSA-N 1 3 238.375 1.580 20 0 BDADHO CN(CC1(C)COC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352923766 386967754 /nfs/dbraw/zinc/96/77/54/386967754.db2.gz WZJRGODHESDCBB-FUNVUKJBSA-N 1 3 238.375 1.580 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000425363733 386972632 /nfs/dbraw/zinc/97/26/32/386972632.db2.gz XTVCDTNMNPLTEN-IJLUTSLNSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CC[C@H]2SC)C1 ZINC000425363733 386972635 /nfs/dbraw/zinc/97/26/35/386972635.db2.gz XTVCDTNMNPLTEN-IJLUTSLNSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CC[C@H]2SC)C1 ZINC000425363733 386972636 /nfs/dbraw/zinc/97/26/36/386972636.db2.gz XTVCDTNMNPLTEN-IJLUTSLNSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCCCN1 ZINC000333344071 387028494 /nfs/dbraw/zinc/02/84/94/387028494.db2.gz YTPWISBWASLALW-UHTWSYAYSA-N 1 3 248.374 1.387 20 0 BDADHO C(CN1C[C@H]2CC[C@@H](C1)O2)C1CC[NH2+]CC1 ZINC000085540536 387069122 /nfs/dbraw/zinc/06/91/22/387069122.db2.gz FOBRRZZDXZFERZ-BETUJISGSA-N 1 3 224.348 1.239 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000111380888 387077912 /nfs/dbraw/zinc/07/79/12/387077912.db2.gz ONRBDRUNBOBSPW-AWEZNQCLSA-N 1 3 233.359 1.827 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1CCc1cccnc1 ZINC000111380888 387077917 /nfs/dbraw/zinc/07/79/17/387077917.db2.gz ONRBDRUNBOBSPW-AWEZNQCLSA-N 1 3 233.359 1.827 20 0 BDADHO CCCC[C@H](COC)NCC1C[NH2+]C1 ZINC000423299141 387130563 /nfs/dbraw/zinc/13/05/63/387130563.db2.gz BMVFOGUQSTYYFZ-LLVKDONJSA-N 1 3 200.326 1.001 20 0 BDADHO CCCC[C@H](COC)[NH2+]CC1CNC1 ZINC000423299141 387130570 /nfs/dbraw/zinc/13/05/70/387130570.db2.gz BMVFOGUQSTYYFZ-LLVKDONJSA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@@H](C(=O)NCCC[NH+](CC)CC)N(C)C ZINC000359362357 387090605 /nfs/dbraw/zinc/09/06/05/387090605.db2.gz KDEGNQBSRYTOKC-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NC1CC(F)(F)C1 ZINC000335008202 387102179 /nfs/dbraw/zinc/10/21/79/387102179.db2.gz IIRNXYNUYZDRLZ-SCZZXKLOSA-N 1 3 218.291 1.891 20 0 BDADHO C[C@@H](C1C[NH2+]C1)N1CCC[C@@]2(CCSC2)C1 ZINC000335008172 387102582 /nfs/dbraw/zinc/10/25/82/387102582.db2.gz HMLGOALMZFJLDH-WCQYABFASA-N 1 3 240.416 1.813 20 0 BDADHO C[C@@H](C1CNC1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000335008172 387102586 /nfs/dbraw/zinc/10/25/86/387102586.db2.gz HMLGOALMZFJLDH-WCQYABFASA-N 1 3 240.416 1.813 20 0 BDADHO C[C@@H](C1CNC1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000335008172 387102592 /nfs/dbraw/zinc/10/25/92/387102592.db2.gz HMLGOALMZFJLDH-WCQYABFASA-N 1 3 240.416 1.813 20 0 BDADHO C[N@H+](C[C@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000250454860 387124952 /nfs/dbraw/zinc/12/49/52/387124952.db2.gz WFWLODQYNNXXKN-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](C[C@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000250454860 387124957 /nfs/dbraw/zinc/12/49/57/387124957.db2.gz WFWLODQYNNXXKN-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H]([NH2+]C[C@H](C)CN)C1(C(=O)OC)CCC1 ZINC000423299562 387129522 /nfs/dbraw/zinc/12/95/22/387129522.db2.gz BWRRIARKUKGBNB-GHMZBOCLSA-N 1 3 242.363 1.293 20 0 BDADHO Cc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334980888 387067995 /nfs/dbraw/zinc/06/79/95/387067995.db2.gz QCLYUTPIYHIILU-OLZOCXBDSA-N 1 3 249.358 1.805 20 0 BDADHO CC[C@@H](C)[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000334981538 387068522 /nfs/dbraw/zinc/06/85/22/387068522.db2.gz RMGLNTYCFYALBV-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H](C)[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000334981538 387068527 /nfs/dbraw/zinc/06/85/27/387068527.db2.gz RMGLNTYCFYALBV-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000423306160 387142123 /nfs/dbraw/zinc/14/21/23/387142123.db2.gz SFURGYDZYVDAGX-NEPJUHHUSA-N 1 3 226.364 1.388 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C ZINC000423306160 387142130 /nfs/dbraw/zinc/14/21/30/387142130.db2.gz SFURGYDZYVDAGX-NEPJUHHUSA-N 1 3 226.364 1.388 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](C)CN ZINC000423307194 387143980 /nfs/dbraw/zinc/14/39/80/387143980.db2.gz MWGKRMUKJHAUCD-VXGBXAGGSA-N 1 3 224.352 1.092 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)CCN1 ZINC000423374082 387192434 /nfs/dbraw/zinc/19/24/34/387192434.db2.gz HQFFHRKZUINGCO-XEZLXBQYSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423310574 387146449 /nfs/dbraw/zinc/14/64/49/387146449.db2.gz SAOSUZOAAIEFGC-KKOKHZNYSA-N 1 3 226.364 1.374 20 0 BDADHO C[C@@H](N[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423309049 387147181 /nfs/dbraw/zinc/14/71/81/387147181.db2.gz YQSFNXBNEBBDNR-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NC[C@@H]([NH3+])C2CC2)C1(C)C ZINC000423313317 387151799 /nfs/dbraw/zinc/15/17/99/387151799.db2.gz FLZCVFVXQQKQTM-JHJVBQTASA-N 1 3 240.391 1.905 20 0 BDADHO CCC[NH2+]CCN[C@@H](C)C1CCOCC1 ZINC000423314883 387154922 /nfs/dbraw/zinc/15/49/22/387154922.db2.gz WSDQBFNZHXWGOE-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO CC(=O)Nc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423314373 387155139 /nfs/dbraw/zinc/15/51/39/387155139.db2.gz YKBGVGUHMKRDSN-WDEREUQCSA-N 1 3 249.358 1.890 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C12CCC2 ZINC000423318171 387158195 /nfs/dbraw/zinc/15/81/95/387158195.db2.gz CTYOPRYSXAKACQ-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H](C)C[NH3+])C12CCC2 ZINC000423318172 387159131 /nfs/dbraw/zinc/15/91/31/387159131.db2.gz CTYOPRYSXAKACQ-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H](O)[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000571790789 387171503 /nfs/dbraw/zinc/17/15/03/387171503.db2.gz AFLYRCADHBTTCL-ZFDZMSFRSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCC1)c1cccc(CO)c1 ZINC000423329262 387172236 /nfs/dbraw/zinc/17/22/36/387172236.db2.gz OLKOHGHDTQCEFN-NSHDSACASA-N 1 3 234.343 1.711 20 0 BDADHO Cc1ccncc1[C@H](C)NCC1=CC[NH2+]CC1 ZINC000423333342 387179431 /nfs/dbraw/zinc/17/94/31/387179431.db2.gz FEDRKUCKXGCABO-LBPRGKRZSA-N 1 3 231.343 1.960 20 0 BDADHO COc1cc([C@H](C)[NH2+][C@H](C)CN)ccc1F ZINC000423334712 387180404 /nfs/dbraw/zinc/18/04/04/387180404.db2.gz SLNDTMGTZADDBD-BDAKNGLRSA-N 1 3 226.295 1.832 20 0 BDADHO Cc1ccccc1C[C@H](C)NCC1C[NH2+]C1 ZINC000423300392 387133310 /nfs/dbraw/zinc/13/33/10/387133310.db2.gz DOJXTLBVJMEOTO-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccccc1C[C@H](C)[NH2+]CC1CNC1 ZINC000423300392 387133312 /nfs/dbraw/zinc/13/33/12/387133312.db2.gz DOJXTLBVJMEOTO-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO C[C@@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287712 387137990 /nfs/dbraw/zinc/13/79/90/387137990.db2.gz IKADZZUFCZJQOE-FPMFFAJLSA-N 1 3 216.328 1.899 20 0 BDADHO C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423364706 387215072 /nfs/dbraw/zinc/21/50/72/387215072.db2.gz OXYMJFOMSTUPDF-XQQFMLRXSA-N 1 3 237.391 1.343 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1COCC ZINC000423367733 387219422 /nfs/dbraw/zinc/21/94/22/387219422.db2.gz ALXFQKJLEMABRS-AGIUHOORSA-N 1 3 228.380 1.779 20 0 BDADHO C[NH+](C)CCOCCNCc1ccccc1F ZINC000230004792 387225570 /nfs/dbraw/zinc/22/55/70/387225570.db2.gz NBNYGRHHVFKNHN-UHFFFAOYSA-N 1 3 240.322 1.494 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000393673908 387231813 /nfs/dbraw/zinc/23/18/13/387231813.db2.gz SCJOQYHKMRJNOF-VXGBXAGGSA-N 1 3 242.407 1.891 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C(C)C ZINC000423403574 387241262 /nfs/dbraw/zinc/24/12/62/387241262.db2.gz YOZMGIPTIBMQMM-SRVKXCTJSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000423403574 387241265 /nfs/dbraw/zinc/24/12/65/387241265.db2.gz YOZMGIPTIBMQMM-SRVKXCTJSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@]1(CN[C@H](C)[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414000 387246826 /nfs/dbraw/zinc/24/68/26/387246826.db2.gz LVEKMQZXEPERPQ-MBNYWOFBSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1CCOC1 ZINC000423344846 387195452 /nfs/dbraw/zinc/19/54/52/387195452.db2.gz YJEOUFFQSKKICF-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428384 387254650 /nfs/dbraw/zinc/25/46/50/387254650.db2.gz ONWVXPVXISZBMT-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H]1CNCCC1(F)F ZINC000423469559 387316996 /nfs/dbraw/zinc/31/69/96/387316996.db2.gz COMHRGBVGLERHU-NXEZZACHSA-N 1 3 235.322 1.091 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@H]1CNCCC1(F)F ZINC000423469560 387317267 /nfs/dbraw/zinc/31/72/67/387317267.db2.gz COMHRGBVGLERHU-UWVGGRQHSA-N 1 3 235.322 1.091 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423379778 387262801 /nfs/dbraw/zinc/26/28/01/387262801.db2.gz NFDBZERMYJTJLC-YTWAJWBKSA-N 1 3 200.326 1.140 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423379778 387262803 /nfs/dbraw/zinc/26/28/03/387262803.db2.gz NFDBZERMYJTJLC-YTWAJWBKSA-N 1 3 200.326 1.140 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423385385 387268049 /nfs/dbraw/zinc/26/80/49/387268049.db2.gz QWGOVWQWFPHOHE-WZRBSPASSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423385385 387268052 /nfs/dbraw/zinc/26/80/52/387268052.db2.gz QWGOVWQWFPHOHE-WZRBSPASSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H](NCc1ccc2c(c1)CNC2)[C@H]1CCC[NH2+]1 ZINC000423387444 387270403 /nfs/dbraw/zinc/27/04/03/387270403.db2.gz MURRADBSURACRK-IAQYHMDHSA-N 1 3 245.370 1.520 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CCCC1 ZINC000423386503 387272402 /nfs/dbraw/zinc/27/24/02/387272402.db2.gz SAGLCSGRKJQSJA-YUTCNCBUSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000423386503 387272405 /nfs/dbraw/zinc/27/24/05/387272405.db2.gz SAGLCSGRKJQSJA-YUTCNCBUSA-N 1 3 240.391 1.922 20 0 BDADHO CCNCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000643498808 387277689 /nfs/dbraw/zinc/27/76/89/387277689.db2.gz BYKWQWUMDYIDRT-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395169 387281363 /nfs/dbraw/zinc/28/13/63/387281363.db2.gz NGAGPHVSSLNMBN-NMKXLXIOSA-N 1 3 237.391 1.199 20 0 BDADHO CC[C@H](N[C@@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431984 387284482 /nfs/dbraw/zinc/28/44/82/387284482.db2.gz MDJIQJRULOKEFP-RYUDHWBXSA-N 1 3 238.379 1.978 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423437673 387287900 /nfs/dbraw/zinc/28/79/00/387287900.db2.gz GLDSZZQKZLKIFZ-WISYIIOYSA-N 1 3 228.380 1.904 20 0 BDADHO CC[NH+](CC)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000088397291 387296494 /nfs/dbraw/zinc/29/64/94/387296494.db2.gz IDAXCKORJAHJIM-KBPBESRZSA-N 1 3 236.359 1.259 20 0 BDADHO CCN(CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000088397291 387296497 /nfs/dbraw/zinc/29/64/97/387296497.db2.gz IDAXCKORJAHJIM-KBPBESRZSA-N 1 3 236.359 1.259 20 0 BDADHO CC[C@@H](N)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423459406 387307334 /nfs/dbraw/zinc/30/73/34/387307334.db2.gz HYPXTPGJXTYYRI-GXFFZTMASA-N 1 3 222.332 1.567 20 0 BDADHO CCC[NH+]1CCC(CNCc2cnccn2)CC1 ZINC000514918596 387308735 /nfs/dbraw/zinc/30/87/35/387308735.db2.gz BKYZNTAGCUMXPQ-UHFFFAOYSA-N 1 3 248.374 1.688 20 0 BDADHO C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCCCNC1 ZINC000423541992 387365252 /nfs/dbraw/zinc/36/52/52/387365252.db2.gz AKKVTTJCXKYMOC-NWDGAFQWSA-N 1 3 234.347 1.139 20 0 BDADHO C[C@H](Cc1ccoc1)NCCC[NH2+]C1CC1 ZINC000423542038 387365883 /nfs/dbraw/zinc/36/58/83/387365883.db2.gz ANMCHJASFURGRE-LLVKDONJSA-N 1 3 222.332 1.942 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+]CCCNC1CC1 ZINC000423542038 387365887 /nfs/dbraw/zinc/36/58/87/387365887.db2.gz ANMCHJASFURGRE-LLVKDONJSA-N 1 3 222.332 1.942 20 0 BDADHO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000423549167 387370869 /nfs/dbraw/zinc/37/08/69/387370869.db2.gz HMRSLQAHAVHUQQ-CYZMBNFOSA-N 1 3 240.391 1.778 20 0 BDADHO COCC[C@@H]1CCC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423551011 387373991 /nfs/dbraw/zinc/37/39/91/387373991.db2.gz JDAHFUIBMBTYSY-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO COCC[C@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000423570051 387379221 /nfs/dbraw/zinc/37/92/21/387379221.db2.gz WSNAXNLHEDEXMT-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO C(C1CC1)N1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643462722 387327742 /nfs/dbraw/zinc/32/77/42/387327742.db2.gz IAQDIYAVHSJLFY-PEUVFPKISA-N 1 3 249.402 1.343 20 0 BDADHO CC(C)[C@H](Cn1cccn1)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423482990 387329826 /nfs/dbraw/zinc/32/98/26/387329826.db2.gz XQTKPCMEISEPDF-WOPDTQHZSA-N 1 3 224.352 1.233 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])CC)C12CCC2 ZINC000423484561 387331966 /nfs/dbraw/zinc/33/19/66/387331966.db2.gz YOMPYIVYWZRSSJ-SDDRHHMPSA-N 1 3 226.364 1.661 20 0 BDADHO CC(C)C1CC([NH2+]C[C@H]2CNCCCO2)C1 ZINC000423485155 387332273 /nfs/dbraw/zinc/33/22/73/387332273.db2.gz ANTWZLQUSCRUDS-WXRRBKDZSA-N 1 3 226.364 1.389 20 0 BDADHO CC(C)C1CC(NC[C@H]2C[NH2+]CCCO2)C1 ZINC000423485155 387332280 /nfs/dbraw/zinc/33/22/80/387332280.db2.gz ANTWZLQUSCRUDS-WXRRBKDZSA-N 1 3 226.364 1.389 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000336514522 387339720 /nfs/dbraw/zinc/33/97/20/387339720.db2.gz XNJQCYYDLLTLML-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000336514522 387339721 /nfs/dbraw/zinc/33/97/21/387339721.db2.gz XNJQCYYDLLTLML-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H](NC[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516156 387349773 /nfs/dbraw/zinc/34/97/73/387349773.db2.gz NMRARJOHXAKMSW-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000423786486 387424870 /nfs/dbraw/zinc/42/48/70/387424870.db2.gz QDYDFVZROSOBCI-LLVKDONJSA-N 1 3 249.358 1.590 20 0 BDADHO C[C@@H](NC(=O)[C@@H](N)CC1CCCCC1)[C@H](C)[NH3+] ZINC000423676285 387395002 /nfs/dbraw/zinc/39/50/02/387395002.db2.gz IQJFJWCKYYGPSX-UMNHJUIQSA-N 1 3 241.379 1.136 20 0 BDADHO C[C@@H](CN[C@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870045 387506143 /nfs/dbraw/zinc/50/61/43/387506143.db2.gz XBYLSKAMJLQAAK-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](C[NH2+][C@H]1COC(C)(C)C1)CN1CCCC1 ZINC000396870045 387506145 /nfs/dbraw/zinc/50/61/45/387506145.db2.gz XBYLSKAMJLQAAK-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000643475311 387509876 /nfs/dbraw/zinc/50/98/76/387509876.db2.gz FPIPXKSMTGBPLQ-RVMXOQNASA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](NCCc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000516449637 387510535 /nfs/dbraw/zinc/51/05/35/387510535.db2.gz BGZQWNPOIKHHKQ-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)C1CNC1 ZINC000516449637 387510540 /nfs/dbraw/zinc/51/05/40/387510540.db2.gz BGZQWNPOIKHHKQ-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000395940636 387514583 /nfs/dbraw/zinc/51/45/83/387514583.db2.gz KVRXDJIYEOUXPT-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)CC1CCOCC1)CN(C)C ZINC000425948683 387533892 /nfs/dbraw/zinc/53/38/92/387533892.db2.gz DOYIYNGTFSNHDL-STQMWFEESA-N 1 3 242.407 1.979 20 0 BDADHO CCC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000643474266 387488716 /nfs/dbraw/zinc/48/87/16/387488716.db2.gz ZGWJMJVAGSEDDB-NELGMTEASA-N 1 3 240.391 1.787 20 0 BDADHO CCCCN(C)CCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422714375 387628436 /nfs/dbraw/zinc/62/84/36/387628436.db2.gz QUURTEDEZQRGOY-KGLIPLIRSA-N 1 3 241.423 1.839 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422561072 387602453 /nfs/dbraw/zinc/60/24/53/387602453.db2.gz IVZHOGMHWBPNQJ-BNDIWNMDSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422561072 387602456 /nfs/dbraw/zinc/60/24/56/387602456.db2.gz IVZHOGMHWBPNQJ-BNDIWNMDSA-N 1 3 210.365 1.948 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCCn2ccnc2)C1 ZINC000124472019 387618729 /nfs/dbraw/zinc/61/87/29/387618729.db2.gz UVZHBBMFDCODLH-CYBMUJFWSA-N 1 3 236.363 1.157 20 0 BDADHO CCCCN(C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705185 387620301 /nfs/dbraw/zinc/62/03/01/387620301.db2.gz BIPJQVHTQCPYRO-PBWFPOADSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](CCc1ccco1)NC[C@@H]([NH3+])C1CC1 ZINC000643516435 387622553 /nfs/dbraw/zinc/62/25/53/387622553.db2.gz CPBIAUGMYNHOJK-ZWNOBZJWSA-N 1 3 222.332 1.928 20 0 BDADHO Cn1cc(CCN[C@@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422708686 387623195 /nfs/dbraw/zinc/62/31/95/387623195.db2.gz CFWFEBROOFPOKK-CHWSQXEVSA-N 1 3 236.363 1.212 20 0 BDADHO Cc1ccc(CN[C@@H](C)CCC[NH3+])nc1 ZINC000400845416 387573240 /nfs/dbraw/zinc/57/32/40/387573240.db2.gz ZIJHLSDTFVCRJR-NSHDSACASA-N 1 3 207.321 1.607 20 0 BDADHO CCCCNC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000430592965 387630192 /nfs/dbraw/zinc/63/01/92/387630192.db2.gz NZYPFERAJCKPPJ-CYBMUJFWSA-N 1 3 241.379 1.010 20 0 BDADHO CC(C)OCCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430578845 387630253 /nfs/dbraw/zinc/63/02/53/387630253.db2.gz BNWJDQBJGXJZDU-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC[C@H](NCCN(C)CC)[C@@H]1CCC[NH2+]1 ZINC000422723032 387633604 /nfs/dbraw/zinc/63/36/04/387633604.db2.gz ZLBAYJCPPGRCHZ-RYUDHWBXSA-N 1 3 213.369 1.058 20 0 BDADHO C[C@@H](NC[C@@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422728324 387637515 /nfs/dbraw/zinc/63/75/15/387637515.db2.gz JBUORPYCKOUSRI-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422730618 387638731 /nfs/dbraw/zinc/63/87/31/387638731.db2.gz MIEDPHMQKXWFHR-NWDGAFQWSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc2c(c1)CCO2 ZINC000422730618 387638735 /nfs/dbraw/zinc/63/87/35/387638735.db2.gz MIEDPHMQKXWFHR-NWDGAFQWSA-N 1 3 248.370 1.879 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccccn1 ZINC000422731849 387640151 /nfs/dbraw/zinc/64/01/51/387640151.db2.gz MSAIWRNGRAWMTM-KBPBESRZSA-N 1 3 233.359 1.874 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccccn1 ZINC000422731851 387640595 /nfs/dbraw/zinc/64/05/95/387640595.db2.gz MSAIWRNGRAWMTM-UONOGXRCSA-N 1 3 233.359 1.874 20 0 BDADHO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)C1CNC1 ZINC000422732543 387640889 /nfs/dbraw/zinc/64/08/89/387640889.db2.gz OXTRIPNACPBBRB-LLVKDONJSA-N 1 3 243.354 1.908 20 0 BDADHO C[C@@H](NCCc1c[nH]c2ccccc12)C1C[NH2+]C1 ZINC000422732543 387640894 /nfs/dbraw/zinc/64/08/94/387640894.db2.gz OXTRIPNACPBBRB-LLVKDONJSA-N 1 3 243.354 1.908 20 0 BDADHO C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N(C)C ZINC000422736579 387643324 /nfs/dbraw/zinc/64/33/24/387643324.db2.gz GQQQNFDNMVKPHP-VNHYZAJKSA-N 1 3 249.402 1.485 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCCO1 ZINC000422741928 387649221 /nfs/dbraw/zinc/64/92/21/387649221.db2.gz FQVQUWJJORXZPC-QJPTWQEYSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)c1cnccc1N)N(C)C1CC1 ZINC000422747882 387651161 /nfs/dbraw/zinc/65/11/61/387651161.db2.gz ZSSIWNRFMGLENZ-MNOVXSKESA-N 1 3 248.374 1.627 20 0 BDADHO C[C@H](CN[C@@H](C)c1cnccc1N)[N@H+](C)C1CC1 ZINC000422747882 387651165 /nfs/dbraw/zinc/65/11/65/387651165.db2.gz ZSSIWNRFMGLENZ-MNOVXSKESA-N 1 3 248.374 1.627 20 0 BDADHO C[C@H](CN[C@@H](C)c1cnccc1N)[N@@H+](C)C1CC1 ZINC000422747882 387651170 /nfs/dbraw/zinc/65/11/70/387651170.db2.gz ZSSIWNRFMGLENZ-MNOVXSKESA-N 1 3 248.374 1.627 20 0 BDADHO C[C@H](C[NH2+][C@H](C)c1cnccc1N)N(C)C1CC1 ZINC000422747881 387651478 /nfs/dbraw/zinc/65/14/78/387651478.db2.gz ZSSIWNRFMGLENZ-GHMZBOCLSA-N 1 3 248.374 1.627 20 0 BDADHO C[C@H](CN[C@H](C)c1cnccc1N)[N@H+](C)C1CC1 ZINC000422747881 387651483 /nfs/dbraw/zinc/65/14/83/387651483.db2.gz ZSSIWNRFMGLENZ-GHMZBOCLSA-N 1 3 248.374 1.627 20 0 BDADHO C[C@H](CN[C@H](C)c1cnccc1N)[N@@H+](C)C1CC1 ZINC000422747881 387651488 /nfs/dbraw/zinc/65/14/88/387651488.db2.gz ZSSIWNRFMGLENZ-GHMZBOCLSA-N 1 3 248.374 1.627 20 0 BDADHO C[C@H](CCCCO)[NH2+]C[C@@]1(C)CCCNC1 ZINC000643518694 387651707 /nfs/dbraw/zinc/65/17/07/387651707.db2.gz LZNPGWZXVDIFCG-OLZOCXBDSA-N 1 3 228.380 1.517 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C)[NH3+] ZINC000430805622 387654540 /nfs/dbraw/zinc/65/45/40/387654540.db2.gz FULHQRCQHURXDN-LLVKDONJSA-N 1 3 249.358 1.732 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000422750260 387655122 /nfs/dbraw/zinc/65/51/22/387655122.db2.gz AJTWHVSZHYVMHJ-IJLUTSLNSA-N 1 3 248.326 1.296 20 0 BDADHO Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000422753267 387657589 /nfs/dbraw/zinc/65/75/89/387657589.db2.gz FYHSSXNBZVJJET-BPLDGKMQSA-N 1 3 248.370 1.837 20 0 BDADHO CSCCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000422755584 387658781 /nfs/dbraw/zinc/65/87/81/387658781.db2.gz KRCOFPIPLFQBHE-NXEZZACHSA-N 1 3 204.383 1.845 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCn1cnc2ccccc21 ZINC000422755271 387659411 /nfs/dbraw/zinc/65/94/11/387659411.db2.gz GOEXXAFJXAQZEN-NWDGAFQWSA-N 1 3 244.342 1.506 20 0 BDADHO CSCCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422755589 387659447 /nfs/dbraw/zinc/65/94/47/387659447.db2.gz KRCOFPIPLFQBHE-ZJUUUORDSA-N 1 3 204.383 1.845 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422756878 387661099 /nfs/dbraw/zinc/66/10/99/387661099.db2.gz MATOIFNESNIGJV-SDDRHHMPSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@H]1CN(CCN(C)c2ccccc2)CC[C@H]1[NH3+] ZINC000430918481 387661214 /nfs/dbraw/zinc/66/12/14/387661214.db2.gz NEJRHVROUONIPJ-DZGCQCFKSA-N 1 3 247.386 1.792 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422758329 387661246 /nfs/dbraw/zinc/66/12/46/387661246.db2.gz JIGXQOREUIBAHZ-GARJFASQSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H](NC[C@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756463 387661287 /nfs/dbraw/zinc/66/12/87/387661287.db2.gz LMWRBPVKFHNMNG-IUODEOHRSA-N 1 3 247.386 1.487 20 0 BDADHO Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c(CN(C)C)c1 ZINC000424137027 387661884 /nfs/dbraw/zinc/66/18/84/387661884.db2.gz BNWJLHWGQZXWAW-NEPJUHHUSA-N 1 3 247.342 1.342 20 0 BDADHO CC(C)OCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422760285 387663276 /nfs/dbraw/zinc/66/32/76/387663276.db2.gz LSTBEVCNVXFLBY-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO Cc1cc(C)n(CCC[NH2+][C@@H](C)C[C@@H](C)N)n1 ZINC000422764983 387664704 /nfs/dbraw/zinc/66/47/04/387664704.db2.gz VQWIAPYAGDNIPZ-MNOVXSKESA-N 1 3 238.379 1.605 20 0 BDADHO Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422764854 387666530 /nfs/dbraw/zinc/66/65/30/387666530.db2.gz OPYGIDLVZYROAJ-NWANDNLSSA-N 1 3 248.370 1.837 20 0 BDADHO CCN1CCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422766502 387667964 /nfs/dbraw/zinc/66/79/64/387667964.db2.gz XLQNYODLPBOUSB-RWMBFGLXSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOC1CCCC1 ZINC000422773647 387671373 /nfs/dbraw/zinc/67/13/73/387671373.db2.gz ZBTIWTSKAJDROL-GHMZBOCLSA-N 1 3 214.353 1.661 20 0 BDADHO COc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422770968 387671544 /nfs/dbraw/zinc/67/15/44/387671544.db2.gz QXFHGSKCZVUICQ-WDEREUQCSA-N 1 3 222.332 1.911 20 0 BDADHO CC(C)Cn1ccnc1CN[C@H](C)CCC[NH3+] ZINC000422777435 387674798 /nfs/dbraw/zinc/67/47/98/387674798.db2.gz FWJDHZWMCVIAGI-GFCCVEGCSA-N 1 3 238.379 1.756 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000422786373 387686965 /nfs/dbraw/zinc/68/69/65/387686965.db2.gz QHFWCOJUYPUTIN-NDBYEHHHSA-N 1 3 226.364 1.125 20 0 BDADHO CC[C@@H](NC[C@H](C)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422743536 387689889 /nfs/dbraw/zinc/68/98/89/387689889.db2.gz RQRNQHIFNPKYEI-TUAOUCFPSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)N(C)C1CC1 ZINC000422743906 387690605 /nfs/dbraw/zinc/69/06/05/387690605.db2.gz SDDZISNOVSUJHI-XBFCOCLRSA-N 1 3 239.407 1.719 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742840 387690683 /nfs/dbraw/zinc/69/06/83/387690683.db2.gz QTNLCCUISWUGEA-CHWSQXEVSA-N 1 3 220.316 1.148 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2N)CN1C1CC1 ZINC000422861760 387745087 /nfs/dbraw/zinc/74/50/87/387745087.db2.gz JNNRUFPINIRTRQ-LYIQGSDWSA-N 1 3 223.364 1.081 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])CN1C1CC1 ZINC000422861760 387745089 /nfs/dbraw/zinc/74/50/89/387745089.db2.gz JNNRUFPINIRTRQ-LYIQGSDWSA-N 1 3 223.364 1.081 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCC(C)CC1 ZINC000422867010 387746260 /nfs/dbraw/zinc/74/62/60/387746260.db2.gz RNQDATOUGXOURR-STQMWFEESA-N 1 3 227.396 1.434 20 0 BDADHO Cc1cc(F)ccc1CCN[C@H](C)C1C[NH2+]C1 ZINC000422864968 387746461 /nfs/dbraw/zinc/74/64/61/387746461.db2.gz NZLJPWDNRSIGMS-LLVKDONJSA-N 1 3 236.334 1.874 20 0 BDADHO Cc1cc(F)ccc1CC[NH2+][C@H](C)C1CNC1 ZINC000422864968 387746470 /nfs/dbraw/zinc/74/64/70/387746470.db2.gz NZLJPWDNRSIGMS-LLVKDONJSA-N 1 3 236.334 1.874 20 0 BDADHO C[C@@H](NCCN1CCC[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871385 387750284 /nfs/dbraw/zinc/75/02/84/387750284.db2.gz ZYKKWJFGZYPKMM-MJBXVCDLSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]1(C)CCCS1 ZINC000422872448 387752792 /nfs/dbraw/zinc/75/27/92/387752792.db2.gz HEAXUTXAGSMDHA-WOPDTQHZSA-N 1 3 228.405 1.860 20 0 BDADHO CC(C)COCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422794555 387696936 /nfs/dbraw/zinc/69/69/36/387696936.db2.gz ZAGZBUAGEQAHRZ-QWHCGFSZSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422804887 387702545 /nfs/dbraw/zinc/70/25/45/387702545.db2.gz IFEDIEVIJCCXLO-BFHYXJOUSA-N 1 3 242.407 1.748 20 0 BDADHO CC[C@H](NCCN1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422810217 387708511 /nfs/dbraw/zinc/70/85/11/387708511.db2.gz MZTLIPFACYBUKD-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422810911 387708759 /nfs/dbraw/zinc/70/87/59/387708759.db2.gz UYFCIKKECAVSQV-UONOGXRCSA-N 1 3 247.342 1.614 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCC1CCCC1 ZINC000422809283 387708949 /nfs/dbraw/zinc/70/89/49/387708949.db2.gz RRTWXIHIIUVAKS-IACUBPJLSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000422812829 387711348 /nfs/dbraw/zinc/71/13/48/387711348.db2.gz RBGZPTZLSXAPEW-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO CCO[C@H](CC[NH2+][C@@H](C)C1CNC1)C(C)C ZINC000422815562 387714544 /nfs/dbraw/zinc/71/45/44/387714544.db2.gz XXCOMHHLWVHWNK-WCQYABFASA-N 1 3 228.380 1.635 20 0 BDADHO CCO[C@H](CCN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422815562 387714549 /nfs/dbraw/zinc/71/45/49/387714549.db2.gz XXCOMHHLWVHWNK-WCQYABFASA-N 1 3 228.380 1.635 20 0 BDADHO CC(C)C[C@H](CN[C@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000422820792 387716793 /nfs/dbraw/zinc/71/67/93/387716793.db2.gz SFYWYZNACNKXAQ-JHJVBQTASA-N 1 3 229.412 1.678 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C ZINC000356761476 387717027 /nfs/dbraw/zinc/71/70/27/387717027.db2.gz FGFLIWMFDSXNIE-RYUDHWBXSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C ZINC000356761476 387717032 /nfs/dbraw/zinc/71/70/32/387717032.db2.gz FGFLIWMFDSXNIE-RYUDHWBXSA-N 1 3 243.395 1.172 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(N(C)C)CCSC1 ZINC000422822446 387718288 /nfs/dbraw/zinc/71/82/88/387718288.db2.gz KAQVNFHSLCHDCP-SRVKXCTJSA-N 1 3 245.436 1.139 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000643526029 387755479 /nfs/dbraw/zinc/75/54/79/387755479.db2.gz NYDDPDBFCYJZRD-ZDEQEGDKSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOCc1ccccc1 ZINC000422824999 387720589 /nfs/dbraw/zinc/72/05/89/387720589.db2.gz OVRAXVUOGNXEFO-OLZOCXBDSA-N 1 3 236.359 1.919 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCCNc1ccccn1 ZINC000422831123 387723517 /nfs/dbraw/zinc/72/35/17/387723517.db2.gz JETWGUIKDSVOFS-RYUDHWBXSA-N 1 3 236.363 1.599 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCCNc1ccccn1 ZINC000422831123 387723520 /nfs/dbraw/zinc/72/35/20/387723520.db2.gz JETWGUIKDSVOFS-RYUDHWBXSA-N 1 3 236.363 1.599 20 0 BDADHO c1cn(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000127803487 387726619 /nfs/dbraw/zinc/72/66/19/387726619.db2.gz JSJBWTWGXNISNK-ZIAGYGMSSA-N 1 3 248.374 1.490 20 0 BDADHO c1cn(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000127803487 387726620 /nfs/dbraw/zinc/72/66/20/387726620.db2.gz JSJBWTWGXNISNK-ZIAGYGMSSA-N 1 3 248.374 1.490 20 0 BDADHO COC1CCC(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000422841721 387731776 /nfs/dbraw/zinc/73/17/76/387731776.db2.gz WRSWCUZNNIEZQX-ZFDZMSFRSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@@H](NCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422841322 387731869 /nfs/dbraw/zinc/73/18/69/387731869.db2.gz CTKIHMDSIHOAGY-OLZOCXBDSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CCCN1 ZINC000422841322 387731873 /nfs/dbraw/zinc/73/18/73/387731873.db2.gz CTKIHMDSIHOAGY-OLZOCXBDSA-N 1 3 226.364 1.533 20 0 BDADHO CCN1CCCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909512 387770152 /nfs/dbraw/zinc/77/01/52/387770152.db2.gz OEZNWYRHNOBTCS-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CC(C)[C@H]([NH2+]C[C@@H](C)N)c1cccnc1 ZINC000643528655 387770362 /nfs/dbraw/zinc/77/03/62/387770362.db2.gz MOIVNLDIDXREIM-PWSUYJOCSA-N 1 3 207.321 1.716 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422912037 387771795 /nfs/dbraw/zinc/77/17/95/387771795.db2.gz VABUOIXBAKLJSJ-BFHYXJOUSA-N 1 3 241.423 1.966 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422916163 387773274 /nfs/dbraw/zinc/77/32/74/387773274.db2.gz CNRMXAMKIBDUBV-GRYCIOLGSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000422920229 387776355 /nfs/dbraw/zinc/77/63/55/387776355.db2.gz LZCYFABOSPRDJU-GMTAPVOTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCSC1 ZINC000422920229 387776359 /nfs/dbraw/zinc/77/63/59/387776359.db2.gz LZCYFABOSPRDJU-GMTAPVOTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422899667 387784702 /nfs/dbraw/zinc/78/47/02/387784702.db2.gz IBFQQMRIRLDDQN-FVCCEPFGSA-N 1 3 226.364 1.661 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](CCC)N(C)C ZINC000422900909 387786369 /nfs/dbraw/zinc/78/63/69/387786369.db2.gz KHZJJHONDZPAHT-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCC(C)(C)CO ZINC000422989718 387797617 /nfs/dbraw/zinc/79/76/17/387797617.db2.gz BGEWDJPQRQCFMH-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(O)cc1 ZINC000422988264 387797852 /nfs/dbraw/zinc/79/78/52/387797852.db2.gz KCHBFYSXIZYKPU-CHWSQXEVSA-N 1 3 220.316 1.404 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](CC)COC)C1 ZINC000151137236 387801194 /nfs/dbraw/zinc/80/11/94/387801194.db2.gz LPHFMGBGUXOLAQ-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)COC)C1 ZINC000151137236 387801198 /nfs/dbraw/zinc/80/11/98/387801198.db2.gz LPHFMGBGUXOLAQ-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)COC)C1 ZINC000151137236 387801201 /nfs/dbraw/zinc/80/12/01/387801201.db2.gz LPHFMGBGUXOLAQ-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCCC1 ZINC000422965262 387813293 /nfs/dbraw/zinc/81/32/93/387813293.db2.gz OFIZJJDCORFBGH-FRRDWIJNSA-N 1 3 225.380 1.330 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527998235 387805240 /nfs/dbraw/zinc/80/52/40/387805240.db2.gz KXDQACVWTAULRE-DGAVXFQQSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527998235 387805245 /nfs/dbraw/zinc/80/52/45/387805245.db2.gz KXDQACVWTAULRE-DGAVXFQQSA-N 1 3 240.391 1.872 20 0 BDADHO CCC[C@@](C)(N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442604246 387808046 /nfs/dbraw/zinc/80/80/46/387808046.db2.gz XKYPZUMCSWWSBS-DGCLKSJQSA-N 1 3 241.379 1.091 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC1(C)C ZINC000422956502 387809842 /nfs/dbraw/zinc/80/98/42/387809842.db2.gz PSYFZFXUWRQXCH-FIQHERPVSA-N 1 3 226.364 1.374 20 0 BDADHO CC[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964891 387813544 /nfs/dbraw/zinc/81/35/44/387813544.db2.gz MYWUHQHYJYPNBQ-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000643527048 387759541 /nfs/dbraw/zinc/75/95/41/387759541.db2.gz CGFGHOLDIPYJPE-GZBFAFLISA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000643527048 387759547 /nfs/dbraw/zinc/75/95/47/387759547.db2.gz CGFGHOLDIPYJPE-GZBFAFLISA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]2OCC[C@H]21)[C@H]1CCC[NH2+]1 ZINC000422887633 387760350 /nfs/dbraw/zinc/76/03/50/387760350.db2.gz LDBZJGHUGZUBTD-ODXJTPSBSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)[C@H]1CCCN1 ZINC000422887633 387760356 /nfs/dbraw/zinc/76/03/56/387760356.db2.gz LDBZJGHUGZUBTD-ODXJTPSBSA-N 1 3 238.375 1.674 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccccc1O ZINC000422972317 387820646 /nfs/dbraw/zinc/82/06/46/387820646.db2.gz KZQAVHPNUALONM-QWHCGFSZSA-N 1 3 234.343 1.652 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422972317 387820649 /nfs/dbraw/zinc/82/06/49/387820649.db2.gz KZQAVHPNUALONM-QWHCGFSZSA-N 1 3 234.343 1.652 20 0 BDADHO CCOCCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000423005781 387828760 /nfs/dbraw/zinc/82/87/60/387828760.db2.gz STLHZIDUAAQMNU-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H](N[C@@H](C)C1C[NH2+]C1)[C@H]1COc2ccccc21 ZINC000423006155 387828899 /nfs/dbraw/zinc/82/88/99/387828899.db2.gz UIAIZFHUOFYVSQ-MISXGVKJSA-N 1 3 246.354 1.749 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)[C@H]1COc2ccccc21 ZINC000423006155 387828904 /nfs/dbraw/zinc/82/89/04/387828904.db2.gz UIAIZFHUOFYVSQ-MISXGVKJSA-N 1 3 246.354 1.749 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000442721427 387829370 /nfs/dbraw/zinc/82/93/70/387829370.db2.gz VDLOHGSEVJJWPM-SNVBAGLBSA-N 1 3 229.368 1.138 20 0 BDADHO CCOCCC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423008039 387832147 /nfs/dbraw/zinc/83/21/47/387832147.db2.gz ZDZZRUGIUYWQBN-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccncc1 ZINC000423010792 387833575 /nfs/dbraw/zinc/83/35/75/387833575.db2.gz YIQCIHYQFBEVQM-TZMCWYRMSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccncc1 ZINC000423010792 387833577 /nfs/dbraw/zinc/83/35/77/387833577.db2.gz YIQCIHYQFBEVQM-TZMCWYRMSA-N 1 3 233.359 1.602 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNc1ccccn1 ZINC000423009634 387834194 /nfs/dbraw/zinc/83/41/94/387834194.db2.gz WBYIAJVCMMKAHR-NWDGAFQWSA-N 1 3 234.347 1.211 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423009634 387834198 /nfs/dbraw/zinc/83/41/98/387834198.db2.gz WBYIAJVCMMKAHR-NWDGAFQWSA-N 1 3 234.347 1.211 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(CO)CC1 ZINC000643459331 387836510 /nfs/dbraw/zinc/83/65/10/387836510.db2.gz NZNXRPVDMCFLQH-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CN ZINC000423019275 387840488 /nfs/dbraw/zinc/84/04/88/387840488.db2.gz UYXVSEJGKQRFJD-FVCCEPFGSA-N 1 3 226.364 1.519 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423019274 387840683 /nfs/dbraw/zinc/84/06/83/387840683.db2.gz UYXVSEJGKQRFJD-FDYHWXHSSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCCCS1 ZINC000423032367 387849695 /nfs/dbraw/zinc/84/96/95/387849695.db2.gz MHCRAJMVTXDBEE-AXFHLTTASA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCCS1 ZINC000423032367 387849697 /nfs/dbraw/zinc/84/96/97/387849697.db2.gz MHCRAJMVTXDBEE-AXFHLTTASA-N 1 3 216.394 1.988 20 0 BDADHO Cc1ccc(F)c(CNCCCC[NH3+])c1 ZINC000235756222 387855595 /nfs/dbraw/zinc/85/55/95/387855595.db2.gz DJRPWPWMZJHHKB-UHFFFAOYSA-N 1 3 210.296 1.963 20 0 BDADHO CCn1cc([C@H](C)N[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534805 387860667 /nfs/dbraw/zinc/86/06/67/387860667.db2.gz DALJZUOOVJFSEC-AAEUAGOBSA-N 1 3 248.374 1.696 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423051460 387860862 /nfs/dbraw/zinc/86/08/62/387860862.db2.gz NJWHGJCFGRTCMQ-XBFCOCLRSA-N 1 3 240.391 1.778 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000423051460 387860865 /nfs/dbraw/zinc/86/08/65/387860865.db2.gz NJWHGJCFGRTCMQ-XBFCOCLRSA-N 1 3 240.391 1.778 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423054705 387862587 /nfs/dbraw/zinc/86/25/87/387862587.db2.gz CCFVKDALUDVPNU-VJTDZRGJSA-N 1 3 238.375 1.661 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000423059216 387865178 /nfs/dbraw/zinc/86/51/78/387865178.db2.gz FIHJZLVYPXSGDJ-FQUUOJAGSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423060698 387865567 /nfs/dbraw/zinc/86/55/67/387865567.db2.gz PASANMSELWYRJS-RKQHYHRCSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCC1(N(C)C)CCC1 ZINC000423063120 387867576 /nfs/dbraw/zinc/86/75/76/387867576.db2.gz VNGLZRGTHRVOBQ-QWRGUYRKSA-N 1 3 213.369 1.186 20 0 BDADHO CO[C@@H]1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000423066007 387870153 /nfs/dbraw/zinc/87/01/53/387870153.db2.gz COVBNHSHWQUBHU-UMSGYPCISA-N 1 3 226.364 1.674 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423069827 387871738 /nfs/dbraw/zinc/87/17/38/387871738.db2.gz MJJVDYPTFOZCEF-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccco1 ZINC000422963127 387814248 /nfs/dbraw/zinc/81/42/48/387814248.db2.gz HPBJKKBRWDEBSN-WCQYABFASA-N 1 3 222.332 1.800 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(CO)cc1 ZINC000643478217 387814665 /nfs/dbraw/zinc/81/46/65/387814665.db2.gz FVMHSBAQQWTISF-UONOGXRCSA-N 1 3 234.343 1.191 20 0 BDADHO C[C@@H](N)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663171 387816408 /nfs/dbraw/zinc/81/64/08/387816408.db2.gz IZGKWEQLWLYUMH-UKRRQHHQSA-N 1 3 247.386 1.934 20 0 BDADHO C[C@@H](N)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663171 387816414 /nfs/dbraw/zinc/81/64/14/387816414.db2.gz IZGKWEQLWLYUMH-UKRRQHHQSA-N 1 3 247.386 1.934 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422969729 387818715 /nfs/dbraw/zinc/81/87/15/387818715.db2.gz DKACSLRJIUZNGR-RFQIPJPRSA-N 1 3 238.375 1.685 20 0 BDADHO C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000423109502 387893881 /nfs/dbraw/zinc/89/38/81/387893881.db2.gz HIZKPJFOQANXLX-GWOFURMSSA-N 1 3 248.317 1.734 20 0 BDADHO C[C@@H](NC[C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109691 387894004 /nfs/dbraw/zinc/89/40/04/387894004.db2.gz NZXIYQRIBCLMJB-LPWJVIDDSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCCN1 ZINC000423109691 387894007 /nfs/dbraw/zinc/89/40/07/387894007.db2.gz NZXIYQRIBCLMJB-LPWJVIDDSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423108418 387894248 /nfs/dbraw/zinc/89/42/48/387894248.db2.gz MDGQSNCNFDWQMA-SYQHCUMBSA-N 1 3 240.391 1.766 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423108416 387894258 /nfs/dbraw/zinc/89/42/58/387894258.db2.gz MDGQSNCNFDWQMA-AAVRWANBSA-N 1 3 240.391 1.766 20 0 BDADHO C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C1CNC1 ZINC000423116284 387898300 /nfs/dbraw/zinc/89/83/00/387898300.db2.gz PEYVNBKLFNGXAH-IJLUTSLNSA-N 1 3 240.391 1.778 20 0 BDADHO CSC1(CN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423079810 387877152 /nfs/dbraw/zinc/87/71/52/387877152.db2.gz BAGIZXDIIQSSIX-DTWKUNHWSA-N 1 3 200.351 1.351 20 0 BDADHO COC1CCC(C)(C[NH2+][C@H](C)C2CNC2)CC1 ZINC000423083737 387878628 /nfs/dbraw/zinc/87/86/28/387878628.db2.gz GOOFYRKJWILWKX-LMWSTFAQSA-N 1 3 240.391 1.779 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423084307 387879019 /nfs/dbraw/zinc/87/90/19/387879019.db2.gz HQGUDRDPGSSQMT-XWLWVQCSSA-N 1 3 228.336 1.044 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000423084307 387879021 /nfs/dbraw/zinc/87/90/21/387879021.db2.gz HQGUDRDPGSSQMT-XWLWVQCSSA-N 1 3 228.336 1.044 20 0 BDADHO COC1CCC(C)(C[NH2+]C2CCNCC2)CC1 ZINC000423088015 387879942 /nfs/dbraw/zinc/87/99/42/387879942.db2.gz QWQJLWKFOOBSAU-UHFFFAOYSA-N 1 3 240.391 1.923 20 0 BDADHO CSC1(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423086643 387880631 /nfs/dbraw/zinc/88/06/31/387880631.db2.gz MJFDWVZGOWSPQG-IUCAKERBSA-N 1 3 202.367 1.597 20 0 BDADHO CSC1(CN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423086643 387880632 /nfs/dbraw/zinc/88/06/32/387880632.db2.gz MJFDWVZGOWSPQG-IUCAKERBSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000423116615 387898503 /nfs/dbraw/zinc/89/85/03/387898503.db2.gz QPUCOKBBCBTICK-AXTSPUMRSA-N 1 3 236.306 1.862 20 0 BDADHO Cc1csc(CCN[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000643460673 387885686 /nfs/dbraw/zinc/88/56/86/387885686.db2.gz CLQXORAIXOIFIK-BDAKNGLRSA-N 1 3 227.377 1.709 20 0 BDADHO CCCN1CCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423116118 387898665 /nfs/dbraw/zinc/89/86/65/387898665.db2.gz ZPJMGJAPMFLHLB-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423099025 387887171 /nfs/dbraw/zinc/88/71/71/387887171.db2.gz ABHOXLUJXYFAHI-AGIUHOORSA-N 1 3 228.380 1.229 20 0 BDADHO CC(C)SCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423099766 387887945 /nfs/dbraw/zinc/88/79/45/387887945.db2.gz AYRKPPJCROVKPF-IJLUTSLNSA-N 1 3 246.420 1.470 20 0 BDADHO C[C@H](NCCC1(F)CCC1)C1C[NH2+]C1 ZINC000423101181 387889234 /nfs/dbraw/zinc/88/92/34/387889234.db2.gz COYZKPUMCLWPKJ-VIFPVBQESA-N 1 3 200.301 1.466 20 0 BDADHO C[C@H]([NH2+]CCC1(F)CCC1)C1CNC1 ZINC000423101181 387889238 /nfs/dbraw/zinc/88/92/38/387889238.db2.gz COYZKPUMCLWPKJ-VIFPVBQESA-N 1 3 200.301 1.466 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000423163795 387918213 /nfs/dbraw/zinc/91/82/13/387918213.db2.gz NKCVDOAHHVYEAK-NDBYEHHHSA-N 1 3 226.364 1.661 20 0 BDADHO CCC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])OC ZINC000423142410 387918453 /nfs/dbraw/zinc/91/84/53/387918453.db2.gz AKBGJVLDILINTR-GMTAPVOTSA-N 1 3 202.342 1.517 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1CCCOC1 ZINC000423119491 387900726 /nfs/dbraw/zinc/90/07/26/387900726.db2.gz CODPDARBERRPKO-WOPDTQHZSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@H]1CCCN1 ZINC000423125156 387903037 /nfs/dbraw/zinc/90/30/37/387903037.db2.gz NCMWIJAEARGBMI-IGQOVBAYSA-N 1 3 240.391 1.515 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423123830 387903542 /nfs/dbraw/zinc/90/35/42/387903542.db2.gz FIGBBCICXFGZPD-NWDGAFQWSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000423127305 387905755 /nfs/dbraw/zinc/90/57/55/387905755.db2.gz PFPGKQRXDLECKQ-ZJUUUORDSA-N 1 3 202.317 1.984 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCC1(F)CCC1 ZINC000423127305 387905759 /nfs/dbraw/zinc/90/57/59/387905759.db2.gz PFPGKQRXDLECKQ-ZJUUUORDSA-N 1 3 202.317 1.984 20 0 BDADHO C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@H]2CCCOC2)C1 ZINC000423133117 387910016 /nfs/dbraw/zinc/91/00/16/387910016.db2.gz VLLHPIXBQIXUPB-XDQVBPFNSA-N 1 3 238.375 1.676 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H](CO)C1CCCCC1 ZINC000423138795 387916756 /nfs/dbraw/zinc/91/67/56/387916756.db2.gz UDTLETZVNUDORD-BFHYXJOUSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1(CF)CCOCC1 ZINC000423152711 387932037 /nfs/dbraw/zinc/93/20/37/387932037.db2.gz MAUZPWYFCVICCJ-VXGBXAGGSA-N 1 3 244.354 1.340 20 0 BDADHO COC[C@](C)(O)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423147946 387926212 /nfs/dbraw/zinc/92/62/12/387926212.db2.gz UCWWMTAPCFJLDG-FRRDWIJNSA-N 1 3 244.379 1.024 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CN ZINC000423149796 387927110 /nfs/dbraw/zinc/92/71/10/387927110.db2.gz IBQBUEXRZXPLSK-VOAKCMCISA-N 1 3 210.365 1.996 20 0 BDADHO CC[C@@H](N[C@H]1CC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423150107 387927286 /nfs/dbraw/zinc/92/72/86/387927286.db2.gz AXVAMKPXAACZGH-XJFOESAGSA-N 1 3 240.391 1.658 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1N)Cc1ccccc1 ZINC000423157269 387937560 /nfs/dbraw/zinc/93/75/60/387937560.db2.gz MJIFIOZBRMPQDZ-RRFJBIMHSA-N 1 3 248.370 1.714 20 0 BDADHO COc1cccnc1CN[C@@H](C)CCCC[NH3+] ZINC000423159043 387938892 /nfs/dbraw/zinc/93/88/92/387938892.db2.gz FBIMOIIQZABEOH-NSHDSACASA-N 1 3 237.347 1.697 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423159284 387939327 /nfs/dbraw/zinc/93/93/27/387939327.db2.gz FPUABAIRCIDWRU-MEBFFEOJSA-N 1 3 238.375 1.410 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCC(C)(C)CO ZINC000423160024 387940712 /nfs/dbraw/zinc/94/07/12/387940712.db2.gz QHNVXTRJGNNUSU-NWDGAFQWSA-N 1 3 228.380 1.373 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000423160491 387941080 /nfs/dbraw/zinc/94/10/80/387941080.db2.gz HLZRYGDGBXNRJV-RVMXOQNASA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423160491 387941085 /nfs/dbraw/zinc/94/10/85/387941085.db2.gz HLZRYGDGBXNRJV-RVMXOQNASA-N 1 3 226.364 1.532 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159757 387941153 /nfs/dbraw/zinc/94/11/53/387941153.db2.gz GGBSONZHUJGTER-VOAKCMCISA-N 1 3 208.349 1.750 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCC[C@@H]2CCOC2)C1 ZINC000645802428 387945244 /nfs/dbraw/zinc/94/52/44/387945244.db2.gz MVTPCVHTVDMUBU-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CO[C@@H]([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423163944 387946788 /nfs/dbraw/zinc/94/67/88/387946788.db2.gz RVZPCVWZTHHEBS-GMOBBJLQSA-N 1 3 214.353 1.515 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000423164677 387948656 /nfs/dbraw/zinc/94/86/56/387948656.db2.gz OSOIMYLURCYHLX-IGQOVBAYSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000423164677 387948658 /nfs/dbraw/zinc/94/86/58/387948658.db2.gz OSOIMYLURCYHLX-IGQOVBAYSA-N 1 3 240.391 1.920 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423167065 387949698 /nfs/dbraw/zinc/94/96/98/387949698.db2.gz WDZOKLLONBHSJY-IGQOVBAYSA-N 1 3 240.391 1.645 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C12CCC2 ZINC000423172846 387960140 /nfs/dbraw/zinc/96/01/40/387960140.db2.gz VQJRZUFFRKIGOZ-FVCCEPFGSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCCC2)[C@H](C)O1 ZINC000423176607 387962048 /nfs/dbraw/zinc/96/20/48/387962048.db2.gz HGDWZIFVHBZAJI-WOPDTQHZSA-N 1 3 226.364 1.804 20 0 BDADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000423179387 387965119 /nfs/dbraw/zinc/96/51/19/387965119.db2.gz CZUSIIDHORQBSF-GHMZBOCLSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000423179387 387965122 /nfs/dbraw/zinc/96/51/22/387965122.db2.gz CZUSIIDHORQBSF-GHMZBOCLSA-N 1 3 214.353 1.517 20 0 BDADHO CCC1(CC)[C@H](NCC[NH3+])C[C@@H]1OC ZINC000423180123 387966767 /nfs/dbraw/zinc/96/67/67/387966767.db2.gz IDYJZWWWKHBYSL-ZJUUUORDSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCCCC1)[C@@H]1CCCO1 ZINC000423181282 387968527 /nfs/dbraw/zinc/96/85/27/387968527.db2.gz OQDPSUPPYYXJLU-NEPJUHHUSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H](NCC1([NH3+])CCCCC1)[C@@H]1CCCO1 ZINC000423181282 387968528 /nfs/dbraw/zinc/96/85/28/387968528.db2.gz OQDPSUPPYYXJLU-NEPJUHHUSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H](NCCC[NH3+])c1cccc(CO)c1 ZINC000423195183 387979484 /nfs/dbraw/zinc/97/94/84/387979484.db2.gz SLTQEZOSZAJJKW-SNVBAGLBSA-N 1 3 208.305 1.178 20 0 BDADHO NCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423192595 387977836 /nfs/dbraw/zinc/97/78/36/387977836.db2.gz PTHYANITMKBCLN-RWMBFGLXSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)O1 ZINC000423204493 387989693 /nfs/dbraw/zinc/98/96/93/387989693.db2.gz BAFREBWHTDHARV-FXMAPVFUSA-N 1 3 224.348 1.425 20 0 BDADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccsc1 ZINC000423208310 387993233 /nfs/dbraw/zinc/99/32/33/387993233.db2.gz SUBVIARCEBCZMW-NSHDSACASA-N 1 3 239.388 1.304 20 0 BDADHO OCCN(CCC[NH+]1CCCCC1)C1CCC1 ZINC000439300610 387993545 /nfs/dbraw/zinc/99/35/45/387993545.db2.gz ZFCMOGUJEPJGJJ-UHFFFAOYSA-N 1 3 240.391 1.709 20 0 BDADHO COCC[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000251162536 135065319 /nfs/dbraw/zinc/06/53/19/135065319.db2.gz CJWZJWKVFHNYDL-SRVKXCTJSA-N 1 3 214.353 1.471 20 0 BDADHO COCC[C@H](C)[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000251162536 135065321 /nfs/dbraw/zinc/06/53/21/135065321.db2.gz CJWZJWKVFHNYDL-SRVKXCTJSA-N 1 3 214.353 1.471 20 0 BDADHO FCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000423215133 387997304 /nfs/dbraw/zinc/99/73/04/387997304.db2.gz NLKILTPBWONLSC-SDDRHHMPSA-N 1 3 214.328 1.856 20 0 BDADHO C[C@@H](Cc1ccoc1)NC[C@H]1CCC[NH2+]C1 ZINC000423221444 388001863 /nfs/dbraw/zinc/00/18/63/388001863.db2.gz ZWAYDMRHTGEFOY-AAEUAGOBSA-N 1 3 222.332 1.800 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000309671744 388010925 /nfs/dbraw/zinc/01/09/25/388010925.db2.gz WFZZUAOJLDDSHW-QWHCGFSZSA-N 1 3 228.380 1.590 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424372374 387996377 /nfs/dbraw/zinc/99/63/77/387996377.db2.gz GXOMAVRUVZSUSG-LBELIVKGSA-N 1 3 208.349 1.763 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423230871 388015649 /nfs/dbraw/zinc/01/56/49/388015649.db2.gz FMLLWODLBMXIGT-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCN1 ZINC000423230871 388015652 /nfs/dbraw/zinc/01/56/52/388015652.db2.gz FMLLWODLBMXIGT-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO CN(C)CCOCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453227605 388015816 /nfs/dbraw/zinc/01/58/16/388015816.db2.gz RVYBMIAMOGVKQZ-AWEZNQCLSA-N 1 3 240.391 1.733 20 0 BDADHO CC[NH2+]CCN[C@@H](C)C1CCSCC1 ZINC000423239372 388022866 /nfs/dbraw/zinc/02/28/66/388022866.db2.gz GFDUEAPAPZTVAA-JTQLQIEISA-N 1 3 216.394 1.717 20 0 BDADHO C[NH2+]CCN[C@H](C)CCCc1cccnc1 ZINC000423251315 388034105 /nfs/dbraw/zinc/03/41/05/388034105.db2.gz VXQWKEZSGWYLFX-GFCCVEGCSA-N 1 3 221.348 1.602 20 0 BDADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255626 388036378 /nfs/dbraw/zinc/03/63/78/388036378.db2.gz AKHHDPNJLBFJQV-NEPJUHHUSA-N 1 3 236.363 1.460 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423270008 388036525 /nfs/dbraw/zinc/03/65/25/388036525.db2.gz WGGOFZRSVMWWCH-WCFLWFBJSA-N 1 3 226.364 1.661 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CNC)[C@H]1CCOC1 ZINC000423266099 388043493 /nfs/dbraw/zinc/04/34/93/388043493.db2.gz CTBUPHSHZMZNSS-WOPDTQHZSA-N 1 3 214.353 1.247 20 0 BDADHO COC[C@H](NC[C@@H]([NH3+])C(C)C)C(C)C ZINC000423274186 388055258 /nfs/dbraw/zinc/05/52/58/388055258.db2.gz LNURKHDFWUUESR-MNOVXSKESA-N 1 3 202.342 1.230 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000423286850 388070802 /nfs/dbraw/zinc/07/08/02/388070802.db2.gz JCUHDZSZNOJJBW-GHMZBOCLSA-N 1 3 214.353 1.661 20 0 BDADHO CCC([NH3+])(CC)CN[C@H](C)[C@H]1CCCO1 ZINC000423286850 388070806 /nfs/dbraw/zinc/07/08/06/388070806.db2.gz JCUHDZSZNOJJBW-GHMZBOCLSA-N 1 3 214.353 1.661 20 0 BDADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000084221726 388074982 /nfs/dbraw/zinc/07/49/82/388074982.db2.gz VCKJGWHCNOEEHO-CHWSQXEVSA-N 1 3 219.332 1.607 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOC1CCCC1 ZINC000084222078 388075396 /nfs/dbraw/zinc/07/53/96/388075396.db2.gz NIHQFJTZPGDDDD-AAEUAGOBSA-N 1 3 226.364 1.663 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000084222078 388075399 /nfs/dbraw/zinc/07/53/99/388075399.db2.gz NIHQFJTZPGDDDD-AAEUAGOBSA-N 1 3 226.364 1.663 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H]1CCO[C@H]1C ZINC000423296694 388078249 /nfs/dbraw/zinc/07/82/49/388078249.db2.gz HJTOTZPKKOTURJ-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000336659229 388082861 /nfs/dbraw/zinc/08/28/61/388082861.db2.gz IYKDDJLESCUBBV-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000336659229 388082863 /nfs/dbraw/zinc/08/28/63/388082863.db2.gz IYKDDJLESCUBBV-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC ZINC000336659232 388083403 /nfs/dbraw/zinc/08/34/03/388083403.db2.gz IYKDDJLESCUBBV-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)OC ZINC000336659232 388083406 /nfs/dbraw/zinc/08/34/06/388083406.db2.gz IYKDDJLESCUBBV-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](O)C1CCC1 ZINC000643493530 388109352 /nfs/dbraw/zinc/10/93/52/388109352.db2.gz VFAPUHXEJKPVCE-AGIUHOORSA-N 1 3 226.364 1.397 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250354308 388174636 /nfs/dbraw/zinc/17/46/36/388174636.db2.gz BHQASQCQSITTFV-MNOVXSKESA-N 1 3 214.378 1.423 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)[C@H]1CCSC1 ZINC000250354308 388174637 /nfs/dbraw/zinc/17/46/37/388174637.db2.gz BHQASQCQSITTFV-MNOVXSKESA-N 1 3 214.378 1.423 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CCSC1 ZINC000250354308 388174638 /nfs/dbraw/zinc/17/46/38/388174638.db2.gz BHQASQCQSITTFV-MNOVXSKESA-N 1 3 214.378 1.423 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680523 388251258 /nfs/dbraw/zinc/25/12/58/388251258.db2.gz BZSUCJGPLSCWLN-WCQYABFASA-N 1 3 241.379 1.152 20 0 BDADHO C[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H](N)c1ccccc1 ZINC000449597075 388239703 /nfs/dbraw/zinc/23/97/03/388239703.db2.gz YQEBIFGUYBKMOU-MPPDQPJWSA-N 1 3 249.358 1.174 20 0 BDADHO CCSCC[NH2+][C@@H]1CCNCC1(C)C ZINC000261529190 135154958 /nfs/dbraw/zinc/15/49/58/135154958.db2.gz QDAYLEASLNGCMC-SNVBAGLBSA-N 1 3 216.394 1.717 20 0 BDADHO CCSCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000261529190 135154960 /nfs/dbraw/zinc/15/49/60/135154960.db2.gz QDAYLEASLNGCMC-SNVBAGLBSA-N 1 3 216.394 1.717 20 0 BDADHO CC[NH+](CC)CCCN(C)[C@H](C)C(C)(C)O ZINC000451364576 388264668 /nfs/dbraw/zinc/26/46/68/388264668.db2.gz CYLWOOHJPYEFDE-GFCCVEGCSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H](C)C(C)(C)O ZINC000451364576 388264670 /nfs/dbraw/zinc/26/46/70/388264670.db2.gz CYLWOOHJPYEFDE-GFCCVEGCSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000451364576 388264671 /nfs/dbraw/zinc/26/46/71/388264671.db2.gz CYLWOOHJPYEFDE-GFCCVEGCSA-N 1 3 230.396 1.810 20 0 BDADHO CC(C)[C@H](C(=O)Nc1cccc(CN)c1)[C@@H](C)[NH3+] ZINC000646579688 388389088 /nfs/dbraw/zinc/38/90/88/388389088.db2.gz MUZRBUODQYKQBY-MFKMUULPSA-N 1 3 249.358 1.703 20 0 BDADHO COCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397350028 388461283 /nfs/dbraw/zinc/46/12/83/388461283.db2.gz ZQSUFYQGTVFYBI-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO COCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397350028 388461286 /nfs/dbraw/zinc/46/12/86/388461286.db2.gz ZQSUFYQGTVFYBI-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO COCCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397350028 388461287 /nfs/dbraw/zinc/46/12/87/388461287.db2.gz ZQSUFYQGTVFYBI-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO C(N1C[C@H]2C[NH2+]C[C@@H]2C1)C12CCC(CC1)C2 ZINC000649253091 388470457 /nfs/dbraw/zinc/47/04/57/388470457.db2.gz HYCASZSEYRJFDZ-CEUNDQEZSA-N 1 3 220.360 1.718 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000339075576 388479403 /nfs/dbraw/zinc/47/94/03/388479403.db2.gz PKHIRWCOAYHIIC-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCOC1 ZINC000339075576 388479405 /nfs/dbraw/zinc/47/94/05/388479405.db2.gz PKHIRWCOAYHIIC-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCN3CCC[C@H]3C2)CCOC1 ZINC000339075576 388479409 /nfs/dbraw/zinc/47/94/09/388479409.db2.gz PKHIRWCOAYHIIC-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000352558863 388537540 /nfs/dbraw/zinc/53/75/40/388537540.db2.gz ZWVAIWNRMSQHGB-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CC1(C)C ZINC000397594459 388482313 /nfs/dbraw/zinc/48/23/13/388482313.db2.gz COASDONWYIQMNK-VXGBXAGGSA-N 1 3 240.391 1.467 20 0 BDADHO CCN(CC)CCC[N@H+](CC)[C@@H](C)CO ZINC000339626980 388486311 /nfs/dbraw/zinc/48/63/11/388486311.db2.gz KFDXPKBWRRBGQR-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](CC)[C@@H](C)CO ZINC000339626980 388486313 /nfs/dbraw/zinc/48/63/13/388486313.db2.gz KFDXPKBWRRBGQR-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340490008 388492089 /nfs/dbraw/zinc/49/20/89/388492089.db2.gz TWAAIWXRGDHOLC-BFHYXJOUSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340490008 388492091 /nfs/dbraw/zinc/49/20/91/388492091.db2.gz TWAAIWXRGDHOLC-BFHYXJOUSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000397787274 388498912 /nfs/dbraw/zinc/49/89/12/388498912.db2.gz RDUAVVDWTREICH-YNEHKIRRSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802284 388500380 /nfs/dbraw/zinc/50/03/80/388500380.db2.gz CWPXIRJMHNUOLI-JHJVBQTASA-N 1 3 239.407 1.399 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CN1C1CC1 ZINC000344308496 388506008 /nfs/dbraw/zinc/50/60/08/388506008.db2.gz YTPAZAWHDNYXON-OCCSQVGLSA-N 1 3 249.402 1.463 20 0 BDADHO CCCNCC[NH2+][C@@H](COC)C1CC1 ZINC000397941244 388512664 /nfs/dbraw/zinc/51/26/64/388512664.db2.gz GUFUTOPUVZBPCL-NSHDSACASA-N 1 3 200.326 1.001 20 0 BDADHO Cc1ccc(CCCN2CCC[C@H](C[NH3+])C2)cn1 ZINC000517030087 388533116 /nfs/dbraw/zinc/53/31/16/388533116.db2.gz NBGAEDUZEIDJEV-OAHLLOKOSA-N 1 3 247.386 1.993 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@](C)(O)C1 ZINC000245570701 388590820 /nfs/dbraw/zinc/59/08/20/388590820.db2.gz GOHGRIBFTPUJTC-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@](C)(O)C1 ZINC000245570701 388590822 /nfs/dbraw/zinc/59/08/22/388590822.db2.gz GOHGRIBFTPUJTC-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO CO[C@@H](CN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000379221208 388600163 /nfs/dbraw/zinc/60/01/63/388600163.db2.gz PVBSCTATORFXQW-JSGCOSHPSA-N 1 3 234.343 1.655 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367626636 388566630 /nfs/dbraw/zinc/56/66/30/388566630.db2.gz PPIRKHCEDNOUDZ-ZYHUDNBSSA-N 1 3 236.363 1.717 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)Cc2ccccc2)C1 ZINC000521271337 388568404 /nfs/dbraw/zinc/56/84/04/388568404.db2.gz GQYMPYXRLDRSHO-RBSFLKMASA-N 1 3 248.370 1.450 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224613811 388667488 /nfs/dbraw/zinc/66/74/88/388667488.db2.gz CBVLBBYWTZOBLK-SRVKXCTJSA-N 1 3 228.405 1.799 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224613811 388667490 /nfs/dbraw/zinc/66/74/90/388667490.db2.gz CBVLBBYWTZOBLK-SRVKXCTJSA-N 1 3 228.405 1.799 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]2F)C1 ZINC000522014317 388674892 /nfs/dbraw/zinc/67/48/92/388674892.db2.gz RYMGLNWJUBUONJ-CHWFTXMASA-N 1 3 200.301 1.737 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC000248436950 388680349 /nfs/dbraw/zinc/68/03/49/388680349.db2.gz SHSOXAKXSQBCLE-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC000248436950 388680351 /nfs/dbraw/zinc/68/03/51/388680351.db2.gz SHSOXAKXSQBCLE-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000530179948 388622974 /nfs/dbraw/zinc/62/29/74/388622974.db2.gz ZAEJYUAEVZIECD-MBNYWOFBSA-N 1 3 249.402 1.486 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1C[C@H]1C ZINC000530216468 388629850 /nfs/dbraw/zinc/62/98/50/388629850.db2.gz PDVIIQJZFPALBC-RHYQMDGZSA-N 1 3 208.349 1.905 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000530218105 388630306 /nfs/dbraw/zinc/63/03/06/388630306.db2.gz FDSDLAGQZBNMAC-NWDGAFQWSA-N 1 3 235.331 1.102 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C1CCOCC1 ZINC000530221196 388633175 /nfs/dbraw/zinc/63/31/75/388633175.db2.gz OTNAFIFMJNTGMF-DGCLKSJQSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1CCOC1 ZINC000530223524 388634284 /nfs/dbraw/zinc/63/42/84/388634284.db2.gz SQUOGZFMKWBKKA-SRVKXCTJSA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@@]12C[C@@H]1COC2(C)C ZINC000530243229 388637979 /nfs/dbraw/zinc/63/79/79/388637979.db2.gz FZKVFLODAWQHJL-MDZLAQPJSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000247075111 388658948 /nfs/dbraw/zinc/65/89/48/388658948.db2.gz QJLZJUBUBXQEIY-IHRRRGAJSA-N 1 3 241.423 1.789 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000249948403 388735663 /nfs/dbraw/zinc/73/56/63/388735663.db2.gz USMVYLLRWOPXOT-QWHCGFSZSA-N 1 3 228.380 1.590 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCCC2)CCN1C ZINC000128218469 388740836 /nfs/dbraw/zinc/74/08/36/388740836.db2.gz YUVQGINIXMYXRM-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@H]1C[C@@H](NCCN2CCCCC2)CC[N@@H+]1C ZINC000128218469 388740838 /nfs/dbraw/zinc/74/08/38/388740838.db2.gz YUVQGINIXMYXRM-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@H]1C[C@@H](NCCN2CCCCC2)CC[N@H+]1C ZINC000128218469 388740840 /nfs/dbraw/zinc/74/08/40/388740840.db2.gz YUVQGINIXMYXRM-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccccc1 ZINC000128283716 388744377 /nfs/dbraw/zinc/74/43/77/388744377.db2.gz QXFSWXYKJWRIFG-HIFRSBDPSA-N 1 3 248.370 1.995 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccccc1 ZINC000128283716 388744379 /nfs/dbraw/zinc/74/43/79/388744379.db2.gz QXFSWXYKJWRIFG-HIFRSBDPSA-N 1 3 248.370 1.995 20 0 BDADHO CC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CC1 ZINC000227799464 388757907 /nfs/dbraw/zinc/75/79/07/388757907.db2.gz LIDZIEVPQYDDPB-GJZGRUSLSA-N 1 3 248.370 1.402 20 0 BDADHO CC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CC1 ZINC000227799464 388757914 /nfs/dbraw/zinc/75/79/14/388757914.db2.gz LIDZIEVPQYDDPB-GJZGRUSLSA-N 1 3 248.370 1.402 20 0 BDADHO CCN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000227799464 388757918 /nfs/dbraw/zinc/75/79/18/388757918.db2.gz LIDZIEVPQYDDPB-GJZGRUSLSA-N 1 3 248.370 1.402 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNCC2=CCCOC2)C1 ZINC000126739824 388700359 /nfs/dbraw/zinc/70/03/59/388700359.db2.gz YHPIPTBYEPDXIH-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNCC2=CCCOC2)C1 ZINC000126739824 388700361 /nfs/dbraw/zinc/70/03/61/388700361.db2.gz YHPIPTBYEPDXIH-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000126739824 388700364 /nfs/dbraw/zinc/70/03/64/388700364.db2.gz YHPIPTBYEPDXIH-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249489792 388724331 /nfs/dbraw/zinc/72/43/31/388724331.db2.gz VBVHIQYDJUAVFV-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249489792 388724335 /nfs/dbraw/zinc/72/43/35/388724335.db2.gz VBVHIQYDJUAVFV-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000249489792 388724336 /nfs/dbraw/zinc/72/43/36/388724336.db2.gz VBVHIQYDJUAVFV-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000249489792 388724340 /nfs/dbraw/zinc/72/43/40/388724340.db2.gz VBVHIQYDJUAVFV-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253207578 388810722 /nfs/dbraw/zinc/81/07/22/388810722.db2.gz HNZZFHSYVRSVSB-UMSGYPCISA-N 1 3 226.364 1.268 20 0 BDADHO COCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564986149 388905641 /nfs/dbraw/zinc/90/56/41/388905641.db2.gz GOUOXSNCXHZQTC-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO COCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564986149 388905644 /nfs/dbraw/zinc/90/56/44/388905644.db2.gz GOUOXSNCXHZQTC-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](CC(=O)N(C)C)NCc1ccc(C[NH3+])cc1 ZINC000564973639 388904249 /nfs/dbraw/zinc/90/42/49/388904249.db2.gz MHHRYXQETOJABN-LLVKDONJSA-N 1 3 249.358 1.102 20 0 BDADHO CCC[C@H](C)[C@@H](CO)[NH2+]CC[C@@H]1CCCN1C ZINC000565483656 388948094 /nfs/dbraw/zinc/94/80/94/388948094.db2.gz NCSKSVCPWADLJY-MELADBBJSA-N 1 3 242.407 1.857 20 0 BDADHO CSCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571591 136109668 /nfs/dbraw/zinc/10/96/68/136109668.db2.gz MKXMYUDVHFZZHI-NSHDSACASA-N 1 3 214.378 1.377 20 0 BDADHO CSCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335571591 136109669 /nfs/dbraw/zinc/10/96/69/136109669.db2.gz MKXMYUDVHFZZHI-NSHDSACASA-N 1 3 214.378 1.377 20 0 BDADHO [NH3+]C[C@@H]1CN(c2ccnc3ccccc32)CCO1 ZINC000041720080 132224124 /nfs/dbraw/zinc/22/41/24/132224124.db2.gz VLYHGOQFLPICAR-LLVKDONJSA-N 1 3 243.310 1.399 20 0 BDADHO CC(C)[C@H]([NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000347512055 133837411 /nfs/dbraw/zinc/83/74/11/133837411.db2.gz JEURODHWZFQDEC-CYBMUJFWSA-N 1 3 247.342 1.003 20 0 BDADHO CN1CCN(CC[NH+]2CCCCC2)C(C)(C)C1 ZINC000335974586 134030966 /nfs/dbraw/zinc/03/09/66/134030966.db2.gz LHWAMVGYSUAMNW-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@@H](F)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336198510 134127556 /nfs/dbraw/zinc/12/75/56/134127556.db2.gz SDYGZAHZGMHKSA-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@@H](F)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336198510 134127557 /nfs/dbraw/zinc/12/75/57/134127557.db2.gz SDYGZAHZGMHKSA-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO COc1cccc(CN[C@H](C)CC[NH3+])c1 ZINC000220499857 134305729 /nfs/dbraw/zinc/30/57/29/134305729.db2.gz HECNJNGTVGPIAU-SNVBAGLBSA-N 1 3 208.305 1.522 20 0 BDADHO CCCN(CC)CC[NH2+]C1CCN(CC)CC1 ZINC000224417318 134347281 /nfs/dbraw/zinc/34/72/81/134347281.db2.gz YWIMPMRVBGNGOL-UHFFFAOYSA-N 1 3 241.423 1.792 20 0 BDADHO COCC[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000133297873 134746075 /nfs/dbraw/zinc/74/60/75/134746075.db2.gz CNELLXXHFDQRMY-NWDGAFQWSA-N 1 3 216.369 1.717 20 0 BDADHO CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248880399 135025056 /nfs/dbraw/zinc/02/50/56/135025056.db2.gz KPVJYQLYUFYEDH-GSPSYOTPSA-N 1 3 237.391 1.295 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000252138037 135084823 /nfs/dbraw/zinc/08/48/23/135084823.db2.gz MTROGMRTUGCPBV-UTUOFQBUSA-N 1 3 213.369 1.009 20 0 BDADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCn1ccnc1 ZINC000086495849 135087396 /nfs/dbraw/zinc/08/73/96/135087396.db2.gz UBKLEUNTRNMGMP-RYUDHWBXSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000252214102 135088173 /nfs/dbraw/zinc/08/81/73/135088173.db2.gz YUMQSZFHNVZGQL-JHJVBQTASA-N 1 3 227.396 1.399 20 0 BDADHO CCOCCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000252698145 135097865 /nfs/dbraw/zinc/09/78/65/135097865.db2.gz LHTWJDQJAFYMFG-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO CCOCCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000252698145 135097867 /nfs/dbraw/zinc/09/78/67/135097867.db2.gz LHTWJDQJAFYMFG-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252703213 135098091 /nfs/dbraw/zinc/09/80/91/135098091.db2.gz KQNWNHQFQMWAFK-NDBYEHHHSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703213 135098093 /nfs/dbraw/zinc/09/80/93/135098093.db2.gz KQNWNHQFQMWAFK-NDBYEHHHSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703213 135098095 /nfs/dbraw/zinc/09/80/95/135098095.db2.gz KQNWNHQFQMWAFK-NDBYEHHHSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703276 135098235 /nfs/dbraw/zinc/09/82/35/135098235.db2.gz PNDZPQWNBJDJML-XQHKEYJVSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703276 135098236 /nfs/dbraw/zinc/09/82/36/135098236.db2.gz PNDZPQWNBJDJML-XQHKEYJVSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252703276 135098237 /nfs/dbraw/zinc/09/82/37/135098237.db2.gz PNDZPQWNBJDJML-XQHKEYJVSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@H]1CCOC1 ZINC000252709511 135099412 /nfs/dbraw/zinc/09/94/12/135099412.db2.gz DBNRQVQADPTEBZ-FQUUOJAGSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)CCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257669395 135101001 /nfs/dbraw/zinc/10/10/01/135101001.db2.gz DIPONYSFWFQIJE-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000252743088 135106695 /nfs/dbraw/zinc/10/66/95/135106695.db2.gz LGCQEHODKJERLN-BJDJZHNGSA-N 1 3 212.337 1.271 20 0 BDADHO CC(C)CCOCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252769804 135108515 /nfs/dbraw/zinc/10/85/15/135108515.db2.gz KRSCNJXARALWMJ-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@@](CO)(NCC[NH3+])C1 ZINC000261554513 135109205 /nfs/dbraw/zinc/10/92/05/135109205.db2.gz UIFOQNCPMACZLK-PWSUYJOCSA-N 1 3 214.353 1.112 20 0 BDADHO CCCCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252871722 135113804 /nfs/dbraw/zinc/11/38/04/135113804.db2.gz SZDAQJWGADSQOH-IHRRRGAJSA-N 1 3 240.391 1.862 20 0 BDADHO Cc1cccnc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252875785 135114655 /nfs/dbraw/zinc/11/46/55/135114655.db2.gz VUUJMUSKLITTDT-MELADBBJSA-N 1 3 245.370 1.949 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000252951549 135117828 /nfs/dbraw/zinc/11/78/28/135117828.db2.gz FCCMTBDJNQJSFL-OUAUKWLOSA-N 1 3 216.394 1.845 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)C1(N)CCCCC1 ZINC000262448583 135119036 /nfs/dbraw/zinc/11/90/36/135119036.db2.gz QHRBVPYUOXHEQR-NSHDSACASA-N 1 3 241.379 1.282 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253020462 135119489 /nfs/dbraw/zinc/11/94/89/135119489.db2.gz JSWWDOPBEFBJRN-XDQVBPFNSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1N ZINC000258811937 135134827 /nfs/dbraw/zinc/13/48/27/135134827.db2.gz CPAAMCHTHUNDIQ-OLZOCXBDSA-N 1 3 204.317 1.964 20 0 BDADHO C([C@@H]1CCCOC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257673717 135138227 /nfs/dbraw/zinc/13/82/27/135138227.db2.gz JEOCGPBGTNUWTB-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@@H]1CCCOC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257673712 135138464 /nfs/dbraw/zinc/13/84/64/135138464.db2.gz JEOCGPBGTNUWTB-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO Cc1cc(CN2CCC3(C2)CC[NH2+]CC3)on1 ZINC000257662082 135138643 /nfs/dbraw/zinc/13/86/43/135138643.db2.gz GNPXRKRFKGBJNE-UHFFFAOYSA-N 1 3 235.331 1.559 20 0 BDADHO c1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000259379363 135142725 /nfs/dbraw/zinc/14/27/25/135142725.db2.gz VYTXNFREEZVCSF-CQSZACIVSA-N 1 3 245.370 1.903 20 0 BDADHO CCC1(C[NH2+][C@H]2CCC[C@H]2CN)CCOCC1 ZINC000261545623 135149233 /nfs/dbraw/zinc/14/92/33/135149233.db2.gz GDIUMEGEIMVSEA-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO CO[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261529142 135155344 /nfs/dbraw/zinc/15/53/44/135155344.db2.gz PILAFLIPZYKKBG-OUAUKWLOSA-N 1 3 200.326 1.128 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccs3)C[C@H]12 ZINC000261529565 135155465 /nfs/dbraw/zinc/15/54/65/135155465.db2.gz BBGPTALPLNSOEG-ADEWGFFLSA-N 1 3 222.357 1.917 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000261531331 135159947 /nfs/dbraw/zinc/15/99/47/135159947.db2.gz GDQQGIPRXWNGIC-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000261531403 135160131 /nfs/dbraw/zinc/16/01/31/135160131.db2.gz GIVTVEFUPVMFFI-BETUJISGSA-N 1 3 208.349 1.718 20 0 BDADHO c1csc(CCNC[C@H]2CCC[NH2+]C2)c1 ZINC000087646051 135161428 /nfs/dbraw/zinc/16/14/28/135161428.db2.gz VPISYGLHZLRPNY-NSHDSACASA-N 1 3 224.373 1.880 20 0 BDADHO c1csc(CC[NH2+]C[C@H]2CCCNC2)c1 ZINC000087646051 135161429 /nfs/dbraw/zinc/16/14/29/135161429.db2.gz VPISYGLHZLRPNY-NSHDSACASA-N 1 3 224.373 1.880 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CCC2)C1(C)C ZINC000261533355 135165202 /nfs/dbraw/zinc/16/52/02/135165202.db2.gz HEWGKXKIYRYGRK-WDEREUQCSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@@H](C)OC[C@H]2C)CC[NH2+]1 ZINC000261535033 135168862 /nfs/dbraw/zinc/16/88/62/135168862.db2.gz VZHXFYDLZVSCJQ-FDYHWXHSSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000261535777 135170833 /nfs/dbraw/zinc/17/08/33/135170833.db2.gz PDHGBUKNOZAVBG-GRYCIOLGSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000261535777 135170834 /nfs/dbraw/zinc/17/08/34/135170834.db2.gz PDHGBUKNOZAVBG-GRYCIOLGSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000261535822 135170950 /nfs/dbraw/zinc/17/09/50/135170950.db2.gz PHZHYRZJNBMEFY-KWBADKCTSA-N 1 3 204.317 1.999 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000261536778 135173351 /nfs/dbraw/zinc/17/33/51/135173351.db2.gz SWLOTMUTYOIZHX-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)OCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261537851 135175111 /nfs/dbraw/zinc/17/51/11/135175111.db2.gz WLOKXUNHFYPQAR-QJPTWQEYSA-N 1 3 212.337 1.081 20 0 BDADHO Cc1noc(C)c1CNCC[C@H]1CCC[NH2+]C1 ZINC000261538149 135175709 /nfs/dbraw/zinc/17/57/09/135175709.db2.gz JMDYZTNZTCAARQ-GFCCVEGCSA-N 1 3 237.347 1.771 20 0 BDADHO C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)[C@H]1CCOC1 ZINC000261544112 135185679 /nfs/dbraw/zinc/18/56/79/135185679.db2.gz WTFSLPMCTKZHPF-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000261549708 135188151 /nfs/dbraw/zinc/18/81/51/135188151.db2.gz PBUYGMYNDIEHLE-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CC[N@H+](C[C@@H]2CCCNC2)CCS1 ZINC000261549708 135188152 /nfs/dbraw/zinc/18/81/52/135188152.db2.gz PBUYGMYNDIEHLE-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)CCS1 ZINC000261549708 135188154 /nfs/dbraw/zinc/18/81/54/135188154.db2.gz PBUYGMYNDIEHLE-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000261549707 135188684 /nfs/dbraw/zinc/18/86/84/135188684.db2.gz PBUYGMYNDIEHLE-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)CCS1 ZINC000261549707 135188685 /nfs/dbraw/zinc/18/86/85/135188685.db2.gz PBUYGMYNDIEHLE-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)CCS1 ZINC000261549707 135188686 /nfs/dbraw/zinc/18/86/86/135188686.db2.gz PBUYGMYNDIEHLE-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO CCCCOCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084216374 135192993 /nfs/dbraw/zinc/19/29/93/135192993.db2.gz RJMHDMDKFSENPY-STQMWFEESA-N 1 3 228.380 1.910 20 0 BDADHO CCCCOCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000084216374 135192996 /nfs/dbraw/zinc/19/29/96/135192996.db2.gz RJMHDMDKFSENPY-STQMWFEESA-N 1 3 228.380 1.910 20 0 BDADHO C[C@H]1CNCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559322 135200383 /nfs/dbraw/zinc/20/03/83/135200383.db2.gz TXAUUFNXIRKWLB-XHDPSFHLSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@H]1C[NH2+]CC[C@H]1NC1Cc2ccccc2C1 ZINC000261559322 135200385 /nfs/dbraw/zinc/20/03/85/135200385.db2.gz TXAUUFNXIRKWLB-XHDPSFHLSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@H]1CCN(CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000163921371 135210635 /nfs/dbraw/zinc/21/06/35/135210635.db2.gz NNVRMDKQDSEFFF-JSGCOSHPSA-N 1 3 233.359 1.541 20 0 BDADHO Cc1ccccc1C[NH2+]CC1(N)CCC1 ZINC000261568871 135211557 /nfs/dbraw/zinc/21/15/57/135211557.db2.gz FWSCKBGHTRZYCY-UHFFFAOYSA-N 1 3 204.317 1.966 20 0 BDADHO Cc1nn(C)c(C)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261579700 135220510 /nfs/dbraw/zinc/22/05/10/135220510.db2.gz PQOGSUVXDXWWLJ-IACUBPJLSA-N 1 3 248.374 1.206 20 0 BDADHO CC1(C)CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000261589401 135230146 /nfs/dbraw/zinc/23/01/46/135230146.db2.gz TXSJBVKHDCIDHU-VXGBXAGGSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@@H]2CCCNC2)CC[C@H]1O ZINC000261589401 135230147 /nfs/dbraw/zinc/23/01/47/135230147.db2.gz TXSJBVKHDCIDHU-VXGBXAGGSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@@H+](C[C@@H]2CCCNC2)CC[C@H]1O ZINC000261589401 135230148 /nfs/dbraw/zinc/23/01/48/135230148.db2.gz TXSJBVKHDCIDHU-VXGBXAGGSA-N 1 3 226.364 1.079 20 0 BDADHO CCC1(C[NH2+][C@H]2CCCNCC2)CCOCC1 ZINC000261545913 135237939 /nfs/dbraw/zinc/23/79/39/135237939.db2.gz GJNLDDQPTZGVRF-ZDUSSCGKSA-N 1 3 240.391 1.925 20 0 BDADHO C[C@@H]1CSCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261547012 135239685 /nfs/dbraw/zinc/23/96/85/135239685.db2.gz LOERQXDSPGWNMX-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@@H]1CSCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261547012 135239687 /nfs/dbraw/zinc/23/96/87/135239687.db2.gz LOERQXDSPGWNMX-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@@H]1CSCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261547012 135239689 /nfs/dbraw/zinc/23/96/89/135239689.db2.gz LOERQXDSPGWNMX-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628491 135241470 /nfs/dbraw/zinc/24/14/70/135241470.db2.gz DJSYHWMPLNAKKS-FZMZJTMJSA-N 1 3 233.359 1.971 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628491 135241471 /nfs/dbraw/zinc/24/14/71/135241471.db2.gz DJSYHWMPLNAKKS-FZMZJTMJSA-N 1 3 233.359 1.971 20 0 BDADHO C[C@]1(CN2CCC(C)(CO)CC2)CC[NH2+]C1 ZINC000261776693 135251990 /nfs/dbraw/zinc/25/19/90/135251990.db2.gz NJHRMKMZWLNFKE-ZDUSSCGKSA-N 1 3 226.364 1.080 20 0 BDADHO CC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261795022 135253217 /nfs/dbraw/zinc/25/32/17/135253217.db2.gz QMEVOSYFEXROEA-OLZOCXBDSA-N 1 3 204.317 1.681 20 0 BDADHO CC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261795022 135253219 /nfs/dbraw/zinc/25/32/19/135253219.db2.gz QMEVOSYFEXROEA-OLZOCXBDSA-N 1 3 204.317 1.681 20 0 BDADHO CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261795022 135253220 /nfs/dbraw/zinc/25/32/20/135253220.db2.gz QMEVOSYFEXROEA-OLZOCXBDSA-N 1 3 204.317 1.681 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000262030877 135274070 /nfs/dbraw/zinc/27/40/70/135274070.db2.gz XDKRHSCEZAEDFG-IHRRRGAJSA-N 1 3 239.407 1.401 20 0 BDADHO COC(=O)C(C)(C)CC[N@H+](C)C1CCNCC1 ZINC000262025128 135274149 /nfs/dbraw/zinc/27/41/49/135274149.db2.gz WOSCQGZZDAUYAT-UHFFFAOYSA-N 1 3 242.363 1.260 20 0 BDADHO COC(=O)C(C)(C)CC[N@@H+](C)C1CCNCC1 ZINC000262025128 135274152 /nfs/dbraw/zinc/27/41/52/135274152.db2.gz WOSCQGZZDAUYAT-UHFFFAOYSA-N 1 3 242.363 1.260 20 0 BDADHO CC[C@]1(CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000262023505 135274265 /nfs/dbraw/zinc/27/42/65/135274265.db2.gz WLHBXXPUDYEHFO-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@]1(CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000262023505 135274266 /nfs/dbraw/zinc/27/42/66/135274266.db2.gz WLHBXXPUDYEHFO-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@]1(CN2CC[C@@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028448 135274299 /nfs/dbraw/zinc/27/42/99/135274299.db2.gz NUTJSLOUFBOJST-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO COCC(C)(C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262092220 135278811 /nfs/dbraw/zinc/27/88/11/135278811.db2.gz UXBVZFUHSMLAQZ-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCC[C@@H]1O ZINC000262213607 135290559 /nfs/dbraw/zinc/29/05/59/135290559.db2.gz LXPSJFVDNYXSOV-RDBSUJKOSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)C[C@@H]1CCCC[C@@H]1O ZINC000262213607 135290560 /nfs/dbraw/zinc/29/05/60/135290560.db2.gz LXPSJFVDNYXSOV-RDBSUJKOSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)C[C@@H]1CCCC[C@@H]1O ZINC000262213607 135290563 /nfs/dbraw/zinc/29/05/63/135290563.db2.gz LXPSJFVDNYXSOV-RDBSUJKOSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H]([NH3+])CN1CCNC[C@H]1c1cccc(F)c1 ZINC000262297475 135291141 /nfs/dbraw/zinc/29/11/41/135291141.db2.gz WWPUUXALLLTQBY-MFKMUULPSA-N 1 3 237.322 1.119 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@](C)(N)CCC ZINC000262615214 135308744 /nfs/dbraw/zinc/30/87/44/135308744.db2.gz XWTKFGVSCOWVDX-JQWIXIFHSA-N 1 3 229.368 1.138 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342752434 135311071 /nfs/dbraw/zinc/31/10/71/135311071.db2.gz OVDAUHUMQALNDG-STQMWFEESA-N 1 3 241.379 1.010 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@@H](N)CC(C)C)CC[C@H]1C ZINC000299919807 135382106 /nfs/dbraw/zinc/38/21/06/135382106.db2.gz XEHDDTCYRCLPHF-FRRDWIJNSA-N 1 3 228.380 1.717 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@@H](N)CC(C)C)CC[C@H]1C ZINC000299919807 135382108 /nfs/dbraw/zinc/38/21/08/135382108.db2.gz XEHDDTCYRCLPHF-FRRDWIJNSA-N 1 3 228.380 1.717 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348157203 136040549 /nfs/dbraw/zinc/04/05/49/136040549.db2.gz FHDZAQISDWSKHF-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H]1C(F)F ZINC000348156667 136040950 /nfs/dbraw/zinc/04/09/50/136040950.db2.gz ITHHUOWOUMUFOI-MVCUBJFGSA-N 1 3 232.318 1.958 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H]1C(F)F ZINC000348156667 136040951 /nfs/dbraw/zinc/04/09/51/136040951.db2.gz ITHHUOWOUMUFOI-MVCUBJFGSA-N 1 3 232.318 1.958 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348305174 136065663 /nfs/dbraw/zinc/06/56/63/136065663.db2.gz NXFCULNSBARIEQ-QWHCGFSZSA-N 1 3 242.407 1.979 20 0 BDADHO F[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000335386121 136088868 /nfs/dbraw/zinc/08/88/68/136088868.db2.gz MZXYFYWKPNEAIU-ONGXEEELSA-N 1 3 200.301 1.609 20 0 BDADHO CCC(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422860801 397758175 /nfs/dbraw/zinc/75/81/75/397758175.db2.gz NCMSDKJTIZJJAM-WCFLWFBJSA-N 1 3 228.380 1.765 20 0 BDADHO COCCC[C@@H](C)[NH2+][C@@H]1CCN[C@H]1C ZINC000629545377 397969033 /nfs/dbraw/zinc/96/90/33/397969033.db2.gz DCCCTNQIPQLCLI-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H]1CN(C)CC[N@@H+]1C[C@H]1CCCN1C ZINC000649618728 398003728 /nfs/dbraw/zinc/00/37/28/398003728.db2.gz LUAGAXHZLFMWQG-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO CC[C@H]1CN(C)CC[N@H+]1C[C@H]1CCCN1C ZINC000649618728 398003732 /nfs/dbraw/zinc/00/37/32/398003732.db2.gz LUAGAXHZLFMWQG-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCOC1 ZINC000389124860 398029223 /nfs/dbraw/zinc/02/92/23/398029223.db2.gz VTJGTMNIZPWISV-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)COC2 ZINC000414792307 398039777 /nfs/dbraw/zinc/03/97/77/398039777.db2.gz CCCVVFGBYFONNQ-WFASDCNBSA-N 1 3 246.354 1.934 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CNC[C@H]1CCCOC1 ZINC000414923801 398100296 /nfs/dbraw/zinc/10/02/96/398100296.db2.gz GBJPJNBROVCTOY-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928407 167035796 /nfs/dbraw/zinc/03/57/96/167035796.db2.gz UBACTOHFIHUTLQ-XQQFMLRXSA-N 1 3 208.349 1.811 20 0 BDADHO CC(C)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928407 167035801 /nfs/dbraw/zinc/03/58/01/167035801.db2.gz UBACTOHFIHUTLQ-XQQFMLRXSA-N 1 3 208.349 1.811 20 0 BDADHO C(N[C@H]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000308866154 487571272 /nfs/dbraw/zinc/57/12/72/487571272.db2.gz XARUIWNZJSZGMK-NWDGAFQWSA-N 1 3 212.337 1.287 20 0 BDADHO CC(C)OCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250581198 167231713 /nfs/dbraw/zinc/23/17/13/167231713.db2.gz IVRGDSBDPPXOST-RYUDHWBXSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662417623 487604499 /nfs/dbraw/zinc/60/44/99/487604499.db2.gz LZSYZATUJLBCSN-MFKMUULPSA-N 1 3 247.342 1.027 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H](CN)C1)C1CCC1 ZINC000662246064 409541674 /nfs/dbraw/zinc/54/16/74/409541674.db2.gz NSKKGOYRBFAHJM-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H](CN)C1)C1CCC1 ZINC000662246064 409541678 /nfs/dbraw/zinc/54/16/78/409541678.db2.gz NSKKGOYRBFAHJM-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662253733 409553327 /nfs/dbraw/zinc/55/33/27/409553327.db2.gz CAMVOEVSNSBECC-FRRDWIJNSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662253733 409553332 /nfs/dbraw/zinc/55/33/32/409553332.db2.gz CAMVOEVSNSBECC-FRRDWIJNSA-N 1 3 238.375 1.628 20 0 BDADHO CCC1(CC)CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000662308600 409632919 /nfs/dbraw/zinc/63/29/19/409632919.db2.gz BTJHVCGSXTVLLI-ZDUSSCGKSA-N 1 3 242.407 1.859 20 0 BDADHO CCC1(CC)CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000662308600 409632927 /nfs/dbraw/zinc/63/29/27/409632927.db2.gz BTJHVCGSXTVLLI-ZDUSSCGKSA-N 1 3 242.407 1.859 20 0 BDADHO CCC1(CC)CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000662308600 409632938 /nfs/dbraw/zinc/63/29/38/409632938.db2.gz BTJHVCGSXTVLLI-ZDUSSCGKSA-N 1 3 242.407 1.859 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000662276549 409590945 /nfs/dbraw/zinc/59/09/45/409590945.db2.gz KHKVJLARXLQVKN-VHSXEESVSA-N 1 3 248.317 1.388 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000662276549 409590951 /nfs/dbraw/zinc/59/09/51/409590951.db2.gz KHKVJLARXLQVKN-VHSXEESVSA-N 1 3 248.317 1.388 20 0 BDADHO CN(CC(C)(C)[NH3+])C(=O)C[C@@H](N)c1ccccc1 ZINC000662605967 409780520 /nfs/dbraw/zinc/78/05/20/409780520.db2.gz VSDDXCRPHUJMCP-GFCCVEGCSA-N 1 3 249.358 1.272 20 0 BDADHO CC(C)C[N@H+](C)CCCNCC1(C)COC1 ZINC000651975877 409968270 /nfs/dbraw/zinc/96/82/70/409968270.db2.gz QDVZSTGLOOUVNC-UHFFFAOYSA-N 1 3 228.380 1.590 20 0 BDADHO CC(C)C[N@@H+](C)CCCNCC1(C)COC1 ZINC000651975877 409968276 /nfs/dbraw/zinc/96/82/76/409968276.db2.gz QDVZSTGLOOUVNC-UHFFFAOYSA-N 1 3 228.380 1.590 20 0 BDADHO CC(C)CN(C)CCC[NH2+]CC1(C)COC1 ZINC000651975877 409968284 /nfs/dbraw/zinc/96/82/84/409968284.db2.gz QDVZSTGLOOUVNC-UHFFFAOYSA-N 1 3 228.380 1.590 20 0 BDADHO CCN1CCC[C@H]1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000156566393 410331040 /nfs/dbraw/zinc/33/10/40/410331040.db2.gz UAIXQRHKPYCGPB-MELADBBJSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@H+](Cc2cccc3c2CCC3)C[C@H]1N ZINC000650703012 410332779 /nfs/dbraw/zinc/33/27/79/410332779.db2.gz FBJLDLYNJQASJK-IAQYHMDHSA-N 1 3 230.355 1.954 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)C[C@H]1N ZINC000650703012 410332782 /nfs/dbraw/zinc/33/27/82/410332782.db2.gz FBJLDLYNJQASJK-IAQYHMDHSA-N 1 3 230.355 1.954 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715329 410349514 /nfs/dbraw/zinc/34/95/14/410349514.db2.gz YNJBZXPIHXYQPG-KGLIPLIRSA-N 1 3 247.386 1.986 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742956 410377070 /nfs/dbraw/zinc/37/70/70/410377070.db2.gz JADGOAOMJBMBCS-OOCWMUITSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1ccn(C)n1 ZINC000650748108 410388793 /nfs/dbraw/zinc/38/87/93/410388793.db2.gz NAYNWGPFOADCBM-SNVBAGLBSA-N 1 3 222.336 1.200 20 0 BDADHO COC[C@H](CC[NH2+][C@H]1CCNCC[C@@H]1C)OC ZINC000665234780 410726803 /nfs/dbraw/zinc/72/68/03/410726803.db2.gz KBBMURKPGUYZQS-AVGNSLFASA-N 1 3 244.379 1.016 20 0 BDADHO CCCN(CCC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309295637 410745097 /nfs/dbraw/zinc/74/50/97/410745097.db2.gz WWTYIALAYKUNIE-ZDUSSCGKSA-N 1 3 230.396 1.810 20 0 BDADHO CCCN(CCC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309295637 410745104 /nfs/dbraw/zinc/74/51/04/410745104.db2.gz WWTYIALAYKUNIE-ZDUSSCGKSA-N 1 3 230.396 1.810 20 0 BDADHO CC[C@@H]1CN(CCc2cn[nH]c2)CC[C@H]1[NH3+] ZINC000393760415 410760299 /nfs/dbraw/zinc/76/02/99/410760299.db2.gz KVXFDTACKKDBGB-VXGBXAGGSA-N 1 3 222.336 1.011 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]1CCOC ZINC000665297721 410816458 /nfs/dbraw/zinc/81/64/58/410816458.db2.gz KHYIQMVBUMPQGU-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000228332357 167044825 /nfs/dbraw/zinc/04/48/25/167044825.db2.gz IEDZLQPEHCUIGZ-RYUDHWBXSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)NC(=O)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000228332357 167044828 /nfs/dbraw/zinc/04/48/28/167044828.db2.gz IEDZLQPEHCUIGZ-RYUDHWBXSA-N 1 3 241.379 1.008 20 0 BDADHO CC[NH+](CC)C[C@@H](C)NC(=O)C1(N)CCCC1 ZINC000041680115 169784924 /nfs/dbraw/zinc/78/49/24/169784924.db2.gz KQTCZDDCTIDAGS-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)OCCN[C@](C)(C[NH3+])C(C)C ZINC000308481238 167246502 /nfs/dbraw/zinc/24/65/02/167246502.db2.gz MXCQAQYWAGKYPL-LLVKDONJSA-N 1 3 202.342 1.374 20 0 BDADHO CC(C)OC[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337330327 167265053 /nfs/dbraw/zinc/26/50/53/167265053.db2.gz GNOFIBFUAZROJU-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OC[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000337330327 167265056 /nfs/dbraw/zinc/26/50/56/167265056.db2.gz GNOFIBFUAZROJU-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H](CO)CCF)CC1 ZINC000652020118 411022358 /nfs/dbraw/zinc/02/23/58/411022358.db2.gz LCKSSVDRKFIJJS-LBPRGKRZSA-N 1 3 232.343 1.169 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@H](O)C1CC1 ZINC000683140596 487620098 /nfs/dbraw/zinc/62/00/98/487620098.db2.gz BHWIBPOUPNWVRK-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000683140596 487620099 /nfs/dbraw/zinc/62/00/99/487620099.db2.gz BHWIBPOUPNWVRK-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000651864882 411147889 /nfs/dbraw/zinc/14/78/89/411147889.db2.gz HXGVCHPODZXCEK-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)CN(C)CCC[NH2+]C1CCC(O)CC1 ZINC000652222757 411175352 /nfs/dbraw/zinc/17/53/52/411175352.db2.gz WUGFJULVRSMRCO-UHFFFAOYSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)C[N@H+](C)CCCNC1CCC(O)CC1 ZINC000652222757 411175356 /nfs/dbraw/zinc/17/53/56/411175356.db2.gz WUGFJULVRSMRCO-UHFFFAOYSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)C[N@@H+](C)CCCNC1CCC(O)CC1 ZINC000652222757 411175358 /nfs/dbraw/zinc/17/53/58/411175358.db2.gz WUGFJULVRSMRCO-UHFFFAOYSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H]1C1CC1 ZINC000659879973 411177580 /nfs/dbraw/zinc/17/75/80/411177580.db2.gz YYGSTXKBUTXNJP-KBPBESRZSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C1CC1 ZINC000659879973 411177582 /nfs/dbraw/zinc/17/75/82/411177582.db2.gz YYGSTXKBUTXNJP-KBPBESRZSA-N 1 3 240.391 1.562 20 0 BDADHO COC[C@@H](CC(C)(C)C)[NH2+]CCCN ZINC000656193312 411201029 /nfs/dbraw/zinc/20/10/29/411201029.db2.gz FTLFHCHGWOKARE-SNVBAGLBSA-N 1 3 202.342 1.376 20 0 BDADHO COC[C@@H](CC(C)(C)C)NCCC[NH3+] ZINC000656193312 411201031 /nfs/dbraw/zinc/20/10/31/411201031.db2.gz FTLFHCHGWOKARE-SNVBAGLBSA-N 1 3 202.342 1.376 20 0 BDADHO Cc1nccnc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656199079 411201748 /nfs/dbraw/zinc/20/17/48/411201748.db2.gz KFTLZHUVKYQGHY-RYUDHWBXSA-N 1 3 234.347 1.187 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000656197436 411202790 /nfs/dbraw/zinc/20/27/90/411202790.db2.gz JDIJCPILGFTLIW-MROQNXINSA-N 1 3 226.364 1.661 20 0 BDADHO FC1(F)CCC(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656417017 411245530 /nfs/dbraw/zinc/24/55/30/411245530.db2.gz IVKQUVJJTSICOI-TXEJJXNPSA-N 1 3 244.329 1.963 20 0 BDADHO CC(C)N(C[C@@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660079947 411221404 /nfs/dbraw/zinc/22/14/04/411221404.db2.gz VCRLERWNSBHSQU-AWEZNQCLSA-N 1 3 242.407 1.950 20 0 BDADHO CC(C)N(C[C@@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000660079947 411221407 /nfs/dbraw/zinc/22/14/07/411221407.db2.gz VCRLERWNSBHSQU-AWEZNQCLSA-N 1 3 242.407 1.950 20 0 BDADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCC[C@H]1N ZINC000422884899 411233117 /nfs/dbraw/zinc/23/31/17/411233117.db2.gz FVDZGMWWIFECDP-XJFOESAGSA-N 1 3 239.407 1.719 20 0 BDADHO C[NH+]1CCC(CN[C@H]2CCCn3ccnc32)CC1 ZINC000655714483 411268092 /nfs/dbraw/zinc/26/80/92/411268092.db2.gz FFGGFRJAIZWYLO-ZDUSSCGKSA-N 1 3 248.374 1.649 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)OC)[C@@H](C)C1 ZINC000658175249 411282146 /nfs/dbraw/zinc/28/21/46/411282146.db2.gz MVYMPXPVNGPWEO-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)OC)[C@@H](C)C1 ZINC000658175249 411282148 /nfs/dbraw/zinc/28/21/48/411282148.db2.gz MVYMPXPVNGPWEO-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403660839 411353163 /nfs/dbraw/zinc/35/31/63/411353163.db2.gz LVFBJTKEFPDCGD-MLGHIDQZSA-N 1 3 208.349 1.892 20 0 BDADHO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@@H]1CCCNC1)C2 ZINC000656788055 411366844 /nfs/dbraw/zinc/36/68/44/411366844.db2.gz NPUGGCWVEIEMHF-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@]12COC[C@]1(C)C[N@H+](C[C@@H]1CCCNC1)C2 ZINC000656788055 411366847 /nfs/dbraw/zinc/36/68/47/411366847.db2.gz NPUGGCWVEIEMHF-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@]12COC[C@]1(C)CN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000656788055 411366852 /nfs/dbraw/zinc/36/68/52/411366852.db2.gz NPUGGCWVEIEMHF-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO O[C@H]1CCN(C2CC[NH+](CCCCF)CC2)C1 ZINC000662152205 411367547 /nfs/dbraw/zinc/36/75/47/411367547.db2.gz QWCIAGARRKIUHM-ZDUSSCGKSA-N 1 3 244.354 1.267 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]CC1(N)CCCC1 ZINC000656789337 411368777 /nfs/dbraw/zinc/36/87/77/411368777.db2.gz NEGWNHFGUMCRCX-NSHDSACASA-N 1 3 222.336 1.133 20 0 BDADHO Cc1nc(CC[NH2+][C@H]2CNC[C@@H](C)C2)cs1 ZINC000401800799 411334520 /nfs/dbraw/zinc/33/45/20/411334520.db2.gz MSVOIZCJERPALS-JOYOIKCWSA-N 1 3 239.388 1.582 20 0 BDADHO CC1(CNC2CC([NH+]3CCCCC3)C2)COC1 ZINC000377159394 168041583 /nfs/dbraw/zinc/04/15/83/168041583.db2.gz WTTARCDPXWWEEB-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000404068217 411374425 /nfs/dbraw/zinc/37/44/25/411374425.db2.gz LCVFLMYDEZISJP-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[C@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662433 411375752 /nfs/dbraw/zinc/37/57/52/411375752.db2.gz KDQUBGKKSSUHEG-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662433 411375755 /nfs/dbraw/zinc/37/57/55/411375755.db2.gz KDQUBGKKSSUHEG-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[C@@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661574 411376273 /nfs/dbraw/zinc/37/62/73/411376273.db2.gz DGSIAXBETKWCKT-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661574 411376275 /nfs/dbraw/zinc/37/62/75/411376275.db2.gz DGSIAXBETKWCKT-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1OCC[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000119912826 168179695 /nfs/dbraw/zinc/17/96/95/168179695.db2.gz XWHDGIPELOSKPD-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308333 411457640 /nfs/dbraw/zinc/45/76/40/411457640.db2.gz ZLDKPKVDGYBSDE-SGMGOOAPSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308333 411457641 /nfs/dbraw/zinc/45/76/41/411457641.db2.gz ZLDKPKVDGYBSDE-SGMGOOAPSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)[C@H]1CCN ZINC000404409885 411394316 /nfs/dbraw/zinc/39/43/16/411394316.db2.gz BYPHBYIXBKEEHY-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)[C@H]1CCN ZINC000404409885 411394317 /nfs/dbraw/zinc/39/43/17/411394317.db2.gz BYPHBYIXBKEEHY-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H]1CN(CCCCCF)C[C@H]1C[NH3+] ZINC000405640056 411437857 /nfs/dbraw/zinc/43/78/57/411437857.db2.gz CJORWKUKNXPIDT-VXGBXAGGSA-N 1 3 232.343 1.422 20 0 BDADHO CC[C@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000657285432 411444578 /nfs/dbraw/zinc/44/45/78/411444578.db2.gz FPRXKFMTBRFMPY-NEPJUHHUSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)(CCN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000405972847 411448316 /nfs/dbraw/zinc/44/83/16/411448316.db2.gz VVFHRZRCNCRECG-RYUDHWBXSA-N 1 3 222.376 1.964 20 0 BDADHO COC[C@H](CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000659983458 411518514 /nfs/dbraw/zinc/51/85/14/411518514.db2.gz MOPOQBXOORGKFO-UPJWGTAASA-N 1 3 244.379 1.062 20 0 BDADHO COC[C@H](CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000659983458 411518516 /nfs/dbraw/zinc/51/85/16/411518516.db2.gz MOPOQBXOORGKFO-UPJWGTAASA-N 1 3 244.379 1.062 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccn(C)n1 ZINC000655803886 411518756 /nfs/dbraw/zinc/51/87/56/411518756.db2.gz GYYYSVGOHXGBQM-SDDRHHMPSA-N 1 3 236.363 1.411 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2nccs2)C1 ZINC000655826479 411526903 /nfs/dbraw/zinc/52/69/03/411526903.db2.gz FWKGMZWDTARPIS-AOOOYVTPSA-N 1 3 225.361 1.573 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccccn2)C1 ZINC000655825310 411527053 /nfs/dbraw/zinc/52/70/53/411527053.db2.gz DGYRNTGYSXKXJD-BJHJDKERSA-N 1 3 219.332 1.511 20 0 BDADHO COCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000655817704 411528368 /nfs/dbraw/zinc/52/83/68/411528368.db2.gz ODAFBAYGPCGBAQ-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO COCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000655817704 411528369 /nfs/dbraw/zinc/52/83/69/411528369.db2.gz ODAFBAYGPCGBAQ-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371299444 170005181 /nfs/dbraw/zinc/00/51/81/170005181.db2.gz HAWMDVSBFFVRPD-IJLUTSLNSA-N 1 3 212.337 1.190 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCc2cnccn2)[C@@H](C)C1 ZINC000341887055 170013114 /nfs/dbraw/zinc/01/31/14/170013114.db2.gz KEFQGJDNPRKXLA-GXTWGEPZSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCc2cnccn2)[C@@H](C)C1 ZINC000341887055 170013115 /nfs/dbraw/zinc/01/31/15/170013115.db2.gz KEFQGJDNPRKXLA-GXTWGEPZSA-N 1 3 248.374 1.339 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)C1 ZINC000360416467 170016490 /nfs/dbraw/zinc/01/64/90/170016490.db2.gz IFGADPOCTBRJGY-MJBXVCDLSA-N 1 3 239.407 1.258 20 0 BDADHO CCN1CC[C@H](C[NH2+]Cc2cccn2C)C1 ZINC000050595867 170016528 /nfs/dbraw/zinc/01/65/28/170016528.db2.gz HFPNKLHBXNRHLT-GFCCVEGCSA-N 1 3 221.348 1.457 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000336712197 170019125 /nfs/dbraw/zinc/01/91/25/170019125.db2.gz RPLOZQBBNNFJSL-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000336712197 170019128 /nfs/dbraw/zinc/01/91/28/170019128.db2.gz RPLOZQBBNNFJSL-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@H](N)C(C)C)c1 ZINC000131647023 170128230 /nfs/dbraw/zinc/12/82/30/170128230.db2.gz MKHXFXGSVWFZTE-CYBMUJFWSA-N 1 3 249.358 1.718 20 0 BDADHO CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(CC)CC ZINC000358915475 170139549 /nfs/dbraw/zinc/13/95/49/170139549.db2.gz OVFFYFKSUMMCNU-NWDGAFQWSA-N 1 3 243.395 1.221 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616123 411608165 /nfs/dbraw/zinc/60/81/65/411608165.db2.gz GYRYAQIMWJEQFC-JSGCOSHPSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CC[C@]2(CCN([C@@H]3COC(C)(C)C3)C2)C1 ZINC000660616123 411608167 /nfs/dbraw/zinc/60/81/67/411608167.db2.gz GYRYAQIMWJEQFC-JSGCOSHPSA-N 1 3 238.375 1.582 20 0 BDADHO C([NH2+]CC12CC(C1)CN2)C1CCCCC1 ZINC000663497803 411678807 /nfs/dbraw/zinc/67/88/07/411678807.db2.gz KEGFMXIHQLBYHC-UHFFFAOYSA-N 1 3 208.349 1.908 20 0 BDADHO C(NCC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000663497803 411678810 /nfs/dbraw/zinc/67/88/10/411678810.db2.gz KEGFMXIHQLBYHC-UHFFFAOYSA-N 1 3 208.349 1.908 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCCOCC1 ZINC000663502693 411685560 /nfs/dbraw/zinc/68/55/60/411685560.db2.gz KALZLQCGIANJBJ-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1C[C@H](CN2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503591 411687175 /nfs/dbraw/zinc/68/71/75/411687175.db2.gz PYKLKTWGYGOMMU-VXGBXAGGSA-N 1 3 246.358 1.223 20 0 BDADHO C[NH2+]CC1CCN(Cc2cnc(N)s2)CC1 ZINC000519650838 411901884 /nfs/dbraw/zinc/90/18/84/411901884.db2.gz KMPCPISHQBSIQC-UHFFFAOYSA-N 1 3 240.376 1.157 20 0 BDADHO O[C@H]1CC[N@@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000662153747 412009056 /nfs/dbraw/zinc/00/90/56/412009056.db2.gz ULDBRDRRTVYQGS-AWEZNQCLSA-N 1 3 238.375 1.460 20 0 BDADHO O[C@H]1CC[N@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000662153747 412009059 /nfs/dbraw/zinc/00/90/59/412009059.db2.gz ULDBRDRRTVYQGS-AWEZNQCLSA-N 1 3 238.375 1.460 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953809 /nfs/dbraw/zinc/95/38/09/411953809.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953817 /nfs/dbraw/zinc/95/38/17/411953817.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953821 /nfs/dbraw/zinc/95/38/21/411953821.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662034511 411953827 /nfs/dbraw/zinc/95/38/27/411953827.db2.gz NPRIXJHNLGYKKI-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO CCc1nocc1CN1CCC(C[NH3+])CC1 ZINC000662236228 412034583 /nfs/dbraw/zinc/03/45/83/412034583.db2.gz VZRVTZHKOKFNNW-UHFFFAOYSA-N 1 3 223.320 1.408 20 0 BDADHO CC[C@@H]1CN(C[C@@H](OC)C2CCC2)CC[C@H]1[NH3+] ZINC000662270439 412059325 /nfs/dbraw/zinc/05/93/25/412059325.db2.gz KTWIITSETNQHAL-MRVWCRGKSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H](CN(C)CC(C)(C)C[NH3+])C1CCC1 ZINC000662246776 412043857 /nfs/dbraw/zinc/04/38/57/412043857.db2.gz COGYQRPYXPZHIC-GFCCVEGCSA-N 1 3 228.380 1.718 20 0 BDADHO CO[C@H](C[N@H+](C)CC(C)(C)CN)C1CCC1 ZINC000662246776 412043858 /nfs/dbraw/zinc/04/38/58/412043858.db2.gz COGYQRPYXPZHIC-GFCCVEGCSA-N 1 3 228.380 1.718 20 0 BDADHO CO[C@H](C[N@@H+](C)CC(C)(C)CN)C1CCC1 ZINC000662246776 412043860 /nfs/dbraw/zinc/04/38/60/412043860.db2.gz COGYQRPYXPZHIC-GFCCVEGCSA-N 1 3 228.380 1.718 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H](CN)C1)C1CCCC1 ZINC000662247557 412045146 /nfs/dbraw/zinc/04/51/46/412045146.db2.gz XPUFULZXVOHERZ-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H](CN)C1)C1CCCC1 ZINC000662247557 412045148 /nfs/dbraw/zinc/04/51/48/412045148.db2.gz XPUFULZXVOHERZ-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249399 412046373 /nfs/dbraw/zinc/04/63/73/412046373.db2.gz MDJWWBMLZNMSSF-NEPJUHHUSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249399 412046374 /nfs/dbraw/zinc/04/63/74/412046374.db2.gz MDJWWBMLZNMSSF-NEPJUHHUSA-N 1 3 224.348 1.382 20 0 BDADHO CC(C)CC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662250263 412046420 /nfs/dbraw/zinc/04/64/20/412046420.db2.gz COOULHHSJVQQBP-LBPRGKRZSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)CC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662250263 412046422 /nfs/dbraw/zinc/04/64/22/412046422.db2.gz COOULHHSJVQQBP-LBPRGKRZSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662252874 412048921 /nfs/dbraw/zinc/04/89/21/412048921.db2.gz QTIWYRXRCXMLDM-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662252874 412048923 /nfs/dbraw/zinc/04/89/23/412048923.db2.gz QTIWYRXRCXMLDM-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]([N@H+](C)C[C@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257724 412052347 /nfs/dbraw/zinc/05/23/47/412052347.db2.gz FWKDFMYYRYMZRF-VXGBXAGGSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]([N@@H+](C)C[C@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257724 412052348 /nfs/dbraw/zinc/05/23/48/412052348.db2.gz FWKDFMYYRYMZRF-VXGBXAGGSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259032 412053650 /nfs/dbraw/zinc/05/36/50/412053650.db2.gz OMYURUKUEAANPA-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259032 412053653 /nfs/dbraw/zinc/05/36/53/412053653.db2.gz OMYURUKUEAANPA-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO CC(C)[C@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259144 412055001 /nfs/dbraw/zinc/05/50/01/412055001.db2.gz QUCPLVLMFXRJNR-STQMWFEESA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)[C@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259144 412055003 /nfs/dbraw/zinc/05/50/03/412055003.db2.gz QUCPLVLMFXRJNR-STQMWFEESA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)C1CCC1 ZINC000662264731 412055703 /nfs/dbraw/zinc/05/57/03/412055703.db2.gz JZZIBWUBGCERCY-NQBHXWOUSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)C1CCC1 ZINC000662264731 412055707 /nfs/dbraw/zinc/05/57/07/412055707.db2.gz JZZIBWUBGCERCY-NQBHXWOUSA-N 1 3 226.364 1.471 20 0 BDADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@H](CN)C1 ZINC000662265176 412056113 /nfs/dbraw/zinc/05/61/13/412056113.db2.gz GCNLPGQAGFULKP-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CC1(C)CCCC[C@@H]1C[N@H+]1CCO[C@H](CN)C1 ZINC000662265176 412056116 /nfs/dbraw/zinc/05/61/16/412056116.db2.gz GCNLPGQAGFULKP-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](C[NH2+]CC1(N)CCC1)c1ccccc1 ZINC000662264413 412056645 /nfs/dbraw/zinc/05/66/45/412056645.db2.gz CWJBFIUFFYVQSD-CYBMUJFWSA-N 1 3 234.343 1.845 20 0 BDADHO CC1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662280438 412071628 /nfs/dbraw/zinc/07/16/28/412071628.db2.gz DNAWVCROTLGIQO-NWDGAFQWSA-N 1 3 238.375 1.676 20 0 BDADHO CC[C@@H]1CO[C@H](C)CN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919117 171112068 /nfs/dbraw/zinc/11/20/68/171112068.db2.gz YLBKTLOYNUDGFU-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282554 412072642 /nfs/dbraw/zinc/07/26/42/412072642.db2.gz CFLYARCHRNWRHZ-LBELIVKGSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282554 412072645 /nfs/dbraw/zinc/07/26/45/412072645.db2.gz CFLYARCHRNWRHZ-LBELIVKGSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282554 412072649 /nfs/dbraw/zinc/07/26/49/412072649.db2.gz CFLYARCHRNWRHZ-LBELIVKGSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@@H]1CC[N@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281918 412073493 /nfs/dbraw/zinc/07/34/93/412073493.db2.gz MMUSJOKOUFVORT-DGCLKSJQSA-N 1 3 208.349 1.869 20 0 BDADHO C[C@@H]1CC[N@@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281918 412073496 /nfs/dbraw/zinc/07/34/96/412073496.db2.gz MMUSJOKOUFVORT-DGCLKSJQSA-N 1 3 208.349 1.869 20 0 BDADHO Cc1cc(CN2CCC(CC[NH3+])CC2)nc(C)n1 ZINC000662283747 412075186 /nfs/dbraw/zinc/07/51/86/412075186.db2.gz KDBZZXVLVQSLGZ-UHFFFAOYSA-N 1 3 248.374 1.654 20 0 BDADHO CC[C@H](C)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000304496334 171281343 /nfs/dbraw/zinc/28/13/43/171281343.db2.gz CERHYWJVOMMFPP-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)NCC(=O)Nc1cccc(C[NH3+])c1 ZINC000662392943 412143206 /nfs/dbraw/zinc/14/32/06/412143206.db2.gz OJUDRIZVYYYQLT-UHFFFAOYSA-N 1 3 221.304 1.082 20 0 BDADHO FCC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000662312189 412093869 /nfs/dbraw/zinc/09/38/69/412093869.db2.gz XAZLQCWLYBTLIF-VXGBXAGGSA-N 1 3 214.328 1.668 20 0 BDADHO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000662392277 412142956 /nfs/dbraw/zinc/14/29/56/412142956.db2.gz HIQAPWSHQRXMAQ-GFCCVEGCSA-N 1 3 247.342 1.472 20 0 BDADHO Cc1ccncc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000665238767 412179023 /nfs/dbraw/zinc/17/90/23/412179023.db2.gz DAXDBSVDUJGMQZ-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000665238767 412179024 /nfs/dbraw/zinc/17/90/24/412179024.db2.gz DAXDBSVDUJGMQZ-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000665237446 412179111 /nfs/dbraw/zinc/17/91/11/412179111.db2.gz BAMGLMFKXOAZDY-AYLPWXGPSA-N 1 3 210.321 1.038 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)C[C@H]1NCc2ccccc21 ZINC000662552893 412214663 /nfs/dbraw/zinc/21/46/63/412214663.db2.gz UZORQYZPQKSTQM-GXFFZTMASA-N 1 3 247.342 1.075 20 0 BDADHO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C1CNC1 ZINC000665244122 412187563 /nfs/dbraw/zinc/18/75/63/412187563.db2.gz GNXDBLOQPCBPSE-FIXISWKDSA-N 1 3 230.355 1.912 20 0 BDADHO C[C@@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C1C[NH2+]C1 ZINC000665244122 412187565 /nfs/dbraw/zinc/18/75/65/412187565.db2.gz GNXDBLOQPCBPSE-FIXISWKDSA-N 1 3 230.355 1.912 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCO[C@@H]2CC2(F)F)C1 ZINC000665244702 412188568 /nfs/dbraw/zinc/18/85/68/412188568.db2.gz TYCPBXLXOWCWLH-OPRDCNLKSA-N 1 3 234.290 1.270 20 0 BDADHO C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273691 412214905 /nfs/dbraw/zinc/21/49/05/412214905.db2.gz BQVFXCIEMHJLBE-VXNVDRBHSA-N 1 3 218.291 1.475 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)C1CNC1 ZINC000665273691 412214907 /nfs/dbraw/zinc/21/49/07/412214907.db2.gz BQVFXCIEMHJLBE-VXNVDRBHSA-N 1 3 218.291 1.475 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@H]1CCCO1 ZINC000665247975 412193762 /nfs/dbraw/zinc/19/37/62/412193762.db2.gz MXPNGGBNYFCZFZ-GHMZBOCLSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@@H](NCC1([NH3+])CCCC1)[C@H]1CCCO1 ZINC000665247975 412193769 /nfs/dbraw/zinc/19/37/69/412193769.db2.gz MXPNGGBNYFCZFZ-GHMZBOCLSA-N 1 3 212.337 1.415 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665261851 412204365 /nfs/dbraw/zinc/20/43/65/412204365.db2.gz NCFAYMQSUVPCPF-ZOBORPQBSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665261697 412204838 /nfs/dbraw/zinc/20/48/38/412204838.db2.gz JTRKXFCBQDCIAT-OUAUKWLOSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCC[C@@H](C)O1 ZINC000665265118 412208576 /nfs/dbraw/zinc/20/85/76/412208576.db2.gz PRCQIFYBYSHCPM-NNYUYHANSA-N 1 3 214.353 1.659 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)O1 ZINC000665265115 412208735 /nfs/dbraw/zinc/20/87/35/412208735.db2.gz PQJSCCIVXHPZQT-YVECIDJPSA-N 1 3 226.364 1.661 20 0 BDADHO COC[C@H](CC[NH2+][C@H]1CCCC[C@H]1CN)OC ZINC000665234957 412173545 /nfs/dbraw/zinc/17/35/45/412173545.db2.gz MWORFKALBQMTPK-AVGNSLFASA-N 1 3 244.379 1.145 20 0 BDADHO COC[C@H](CC[NH2+][C@H]1CCCC[C@@H]1CN)OC ZINC000665234956 412174137 /nfs/dbraw/zinc/17/41/37/412174137.db2.gz MWORFKALBQMTPK-AGIUHOORSA-N 1 3 244.379 1.145 20 0 BDADHO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2cnccc2N)C1 ZINC000665274827 412217109 /nfs/dbraw/zinc/21/71/09/412217109.db2.gz ZEVDSAZJTFQCQG-RYUDHWBXSA-N 1 3 248.374 1.629 20 0 BDADHO CCC[N@H+]1CC[C@H](N[C@@H](C)c2cnccc2N)C1 ZINC000665274827 412217111 /nfs/dbraw/zinc/21/71/11/412217111.db2.gz ZEVDSAZJTFQCQG-RYUDHWBXSA-N 1 3 248.374 1.629 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@@H](C)c2cnccc2N)C1 ZINC000665274827 412217115 /nfs/dbraw/zinc/21/71/15/412217115.db2.gz ZEVDSAZJTFQCQG-RYUDHWBXSA-N 1 3 248.374 1.629 20 0 BDADHO Cc1cncc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000665274485 412217471 /nfs/dbraw/zinc/21/74/71/412217471.db2.gz QYULAMWOQGFMAU-FZMZJTMJSA-N 1 3 248.374 1.305 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2N)C1 ZINC000665274141 412217958 /nfs/dbraw/zinc/21/79/58/412217958.db2.gz KPBKTTHBRUULMV-MELADBBJSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1C(C)(C)C1(F)F ZINC000665274662 412218044 /nfs/dbraw/zinc/21/80/44/412218044.db2.gz VLXFNISJNCAOQS-CIUDSAMLSA-N 1 3 220.307 1.993 20 0 BDADHO C([NH2+][C@@H]1CC[C@@H]1C1CCC1)C12CC(C1)CN2 ZINC000665279467 412220527 /nfs/dbraw/zinc/22/05/27/412220527.db2.gz CWZWDUSDONIJRP-ATDZDNBSSA-N 1 3 220.360 1.907 20 0 BDADHO C([NH2+][C@H]1CC[C@H]1C1CCC1)C12CC(C1)CN2 ZINC000665279468 412221089 /nfs/dbraw/zinc/22/10/89/412221089.db2.gz CWZWDUSDONIJRP-IFFXXYNGSA-N 1 3 220.360 1.907 20 0 BDADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000662569485 412223671 /nfs/dbraw/zinc/22/36/71/412223671.db2.gz QSAFRKGNNNWBQS-LBPRGKRZSA-N 1 3 233.315 1.226 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000665280513 412224321 /nfs/dbraw/zinc/22/43/21/412224321.db2.gz DXIAUCAKZSPSQL-GRYCIOLGSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCO[C@H](C)C1 ZINC000665280513 412224326 /nfs/dbraw/zinc/22/43/26/412224326.db2.gz DXIAUCAKZSPSQL-GRYCIOLGSA-N 1 3 214.353 1.517 20 0 BDADHO C([NH2+][C@H](C1CC1)C1CCC1)C12CC(C1)CN2 ZINC000665280069 412224962 /nfs/dbraw/zinc/22/49/62/412224962.db2.gz SFGPJYLKUTWHKU-AWAWDMARSA-N 1 3 220.360 1.907 20 0 BDADHO C(N[C@H](C1CC1)C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665280069 412224964 /nfs/dbraw/zinc/22/49/64/412224964.db2.gz SFGPJYLKUTWHKU-AWAWDMARSA-N 1 3 220.360 1.907 20 0 BDADHO CCCN1CCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845561 412320106 /nfs/dbraw/zinc/32/01/06/412320106.db2.gz UORPTWFGNPXOHR-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CN1CCC[C@H]1CC[NH+]1CCC(CO)CC1 ZINC000305100214 173050501 /nfs/dbraw/zinc/05/05/01/173050501.db2.gz BDTUDDKTOQYZJV-ZDUSSCGKSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CC[C@@H](CNC(N)=[NH2+])[C@@H]1c1cccs1 ZINC000361940765 173111479 /nfs/dbraw/zinc/11/14/79/173111479.db2.gz CFRBOCYRDOHLNZ-WCBMZHEXSA-N 1 3 238.360 1.224 20 0 BDADHO CN1CC[C@H]([NH2+]CCF)[C@H]2CCC[C@@H]21 ZINC000306939467 173151685 /nfs/dbraw/zinc/15/16/85/173151685.db2.gz KMAWFFWXGOEKAX-VWYCJHECSA-N 1 3 200.301 1.418 20 0 BDADHO C[N@@H+]1CC[C@H](NCCn2cccn2)[C@H]2CCC[C@@H]21 ZINC000353391234 173153101 /nfs/dbraw/zinc/15/31/01/173153101.db2.gz BILIBESGWFOOQJ-RDBSUJKOSA-N 1 3 248.374 1.346 20 0 BDADHO C[N@H+]1CC[C@H](NCCn2cccn2)[C@H]2CCC[C@@H]21 ZINC000353391234 173153104 /nfs/dbraw/zinc/15/31/04/173153104.db2.gz BILIBESGWFOOQJ-RDBSUJKOSA-N 1 3 248.374 1.346 20 0 BDADHO C[NH2+]CC1CCN(Cc2cnccc2C)CC1 ZINC000135499298 173338672 /nfs/dbraw/zinc/33/86/72/173338672.db2.gz GDHZODYZYGEMIQ-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO C[NH2+]CCN(C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000131770751 173352084 /nfs/dbraw/zinc/35/20/84/173352084.db2.gz MEZFOOJVSSWFJT-DGCLKSJQSA-N 1 3 249.358 1.000 20 0 BDADHO C[NH2+]CCN(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000131770367 173352359 /nfs/dbraw/zinc/35/23/59/173352359.db2.gz MEZFOOJVSSWFJT-YPMHNXCESA-N 1 3 249.358 1.000 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCCOC2)C1 ZINC000082581717 173367642 /nfs/dbraw/zinc/36/76/42/173367642.db2.gz NQYSYHOCEJEYKG-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581717 173367643 /nfs/dbraw/zinc/36/76/43/173367643.db2.gz NQYSYHOCEJEYKG-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000082581717 173367644 /nfs/dbraw/zinc/36/76/44/173367644.db2.gz NQYSYHOCEJEYKG-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000011891984 173381980 /nfs/dbraw/zinc/38/19/80/173381980.db2.gz WAIOZZUVVFJNJE-CQSZACIVSA-N 1 3 218.344 1.770 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@H](OCC)C12CCC2 ZINC000564822260 322930834 /nfs/dbraw/zinc/93/08/34/322930834.db2.gz JHZAAUBEBFFVBM-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO COC1(C[NH2+]C[C@H](C)CN(C)C)CCCC1 ZINC000336763198 174002035 /nfs/dbraw/zinc/00/20/35/174002035.db2.gz MBYXCAZAOQIMLB-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO COCCN(CCC[NH+](C)C)CC(C)C ZINC000337344102 174290445 /nfs/dbraw/zinc/29/04/45/174290445.db2.gz YKTDVGOCVAQZIA-UHFFFAOYSA-N 1 3 216.369 1.543 20 0 BDADHO COCc1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000336649418 174630260 /nfs/dbraw/zinc/63/02/60/174630260.db2.gz DEXPAWZRRHUJMH-LLVKDONJSA-N 1 3 222.332 1.517 20 0 BDADHO C[C@@H]1CCC[C@@H](CN(C)C[C@@H](O)C[NH3+])C1 ZINC000336766001 176117872 /nfs/dbraw/zinc/11/78/72/176117872.db2.gz RRTVQAPNOBEAIV-UTUOFQBUSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC(C)(F)C1 ZINC000335004746 176185632 /nfs/dbraw/zinc/18/56/32/176185632.db2.gz DTPPEROUUJBIKA-ZYGVAYEYSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004746 176185635 /nfs/dbraw/zinc/18/56/35/176185635.db2.gz DTPPEROUUJBIKA-ZYGVAYEYSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNc1ccccn1 ZINC000361881822 176269515 /nfs/dbraw/zinc/26/95/15/176269515.db2.gz WXZISAPZROZEBG-OLZOCXBDSA-N 1 3 248.374 1.423 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNc1ccccn1 ZINC000361881822 176269516 /nfs/dbraw/zinc/26/95/16/176269516.db2.gz WXZISAPZROZEBG-OLZOCXBDSA-N 1 3 248.374 1.423 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(CO)c1 ZINC000361184537 176269639 /nfs/dbraw/zinc/26/96/39/176269639.db2.gz SIWYSGKGQUFRHK-DOMZBBRYSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(CO)c1 ZINC000361184537 176269641 /nfs/dbraw/zinc/26/96/41/176269641.db2.gz SIWYSGKGQUFRHK-DOMZBBRYSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CC=CCC1 ZINC000359075424 176271018 /nfs/dbraw/zinc/27/10/18/176271018.db2.gz ZIBLBICMTMDSFS-ZIAGYGMSSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CC=CCC1 ZINC000359075424 176271019 /nfs/dbraw/zinc/27/10/19/176271019.db2.gz ZIBLBICMTMDSFS-ZIAGYGMSSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOCC1CC1 ZINC000300409613 176278096 /nfs/dbraw/zinc/27/80/96/176278096.db2.gz AUISGBRQZWNARA-YRGRVCCFSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOCC1CC1 ZINC000300409613 176278097 /nfs/dbraw/zinc/27/80/97/176278097.db2.gz AUISGBRQZWNARA-YRGRVCCFSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOCC1CC1 ZINC000300409611 176278378 /nfs/dbraw/zinc/27/83/78/176278378.db2.gz AUISGBRQZWNARA-BZPMIXESSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOCC1CC1 ZINC000300409611 176278379 /nfs/dbraw/zinc/27/83/79/176278379.db2.gz AUISGBRQZWNARA-BZPMIXESSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCC1 ZINC000336783271 176278521 /nfs/dbraw/zinc/27/85/21/176278521.db2.gz ZYHNOMRDLOTUFT-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCC1 ZINC000336783271 176278523 /nfs/dbraw/zinc/27/85/23/176278523.db2.gz ZYHNOMRDLOTUFT-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1cnccn1 ZINC000341901520 176278770 /nfs/dbraw/zinc/27/87/70/176278770.db2.gz YWNSGEWQDQZGNX-BZPMIXESSA-N 1 3 248.374 1.337 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1cnccn1 ZINC000341901520 176278772 /nfs/dbraw/zinc/27/87/72/176278772.db2.gz YWNSGEWQDQZGNX-BZPMIXESSA-N 1 3 248.374 1.337 20 0 BDADHO C[C@@H]1CN(CCCCCC[NH3+])CCO1 ZINC000020072038 176287848 /nfs/dbraw/zinc/28/78/48/176287848.db2.gz NHHOKGTZTMXXSZ-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCN2C)CCCO1 ZINC000336339499 176292218 /nfs/dbraw/zinc/29/22/18/176292218.db2.gz DMCIAUJLENBEFD-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCN2C)CCCO1 ZINC000336339499 176292220 /nfs/dbraw/zinc/29/22/20/176292220.db2.gz DMCIAUJLENBEFD-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1COCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000336453312 176332596 /nfs/dbraw/zinc/33/25/96/176332596.db2.gz JMMOBBXRSYFFOS-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1COCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000336453312 176332597 /nfs/dbraw/zinc/33/25/97/176332597.db2.gz JMMOBBXRSYFFOS-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000020593523 177246143 /nfs/dbraw/zinc/24/61/43/177246143.db2.gz MOPRGPJPFXJIDQ-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1C[C@H](C)CN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000062910919 177312586 /nfs/dbraw/zinc/31/25/86/177312586.db2.gz VBRYHUGSDUOQLK-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000019516123 177313644 /nfs/dbraw/zinc/31/36/44/177313644.db2.gz BZNDIWKLEZLXFA-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCNC2)C1 ZINC000019516123 177313645 /nfs/dbraw/zinc/31/36/45/177313645.db2.gz BZNDIWKLEZLXFA-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1C[C@@H](CN(C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235698093 177323381 /nfs/dbraw/zinc/32/33/81/177323381.db2.gz XMTQVRCUQVIQIJ-RYUDHWBXSA-N 1 3 236.363 1.240 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000235699691 177325084 /nfs/dbraw/zinc/32/50/84/177325084.db2.gz JLKIDSWYXTVNJX-RVMXOQNASA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CCO1 ZINC000309809391 177369163 /nfs/dbraw/zinc/36/91/63/177369163.db2.gz TVRMEVCSVAESAC-WCQYABFASA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)CN1CCCC1 ZINC000336765718 177381813 /nfs/dbraw/zinc/38/18/13/177381813.db2.gz RKBDWUYFRGHQBB-AGIUHOORSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1OCCN(CCC2CC[NH2+]CC2)[C@@H]1C ZINC000335663077 177398499 /nfs/dbraw/zinc/39/84/99/177398499.db2.gz LFPMDVKKJPZGNC-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)C[NH2+]CCCN(C)CCN(C)C ZINC000082540768 487670072 /nfs/dbraw/zinc/67/00/72/487670072.db2.gz AGRBQTLETHOTNR-UHFFFAOYSA-N 1 3 215.385 1.116 20 0 BDADHO Cc1cc(C)c(CN[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000396973369 262829787 /nfs/dbraw/zinc/82/97/87/262829787.db2.gz IFPUXHSPNCWFIP-JSGCOSHPSA-N 1 3 233.359 1.915 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1C[C@H]1C ZINC000397549945 262926666 /nfs/dbraw/zinc/92/66/66/262926666.db2.gz RXQHYUINZMFLIL-WOPDTQHZSA-N 1 3 226.364 1.077 20 0 BDADHO C[C@@H](CO)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121030156 490073335 /nfs/dbraw/zinc/07/33/35/490073335.db2.gz RKGFBIOCJDOXAH-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H](CO)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121030156 490073338 /nfs/dbraw/zinc/07/33/38/490073338.db2.gz RKGFBIOCJDOXAH-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H](CO)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121030156 490073341 /nfs/dbraw/zinc/07/33/41/490073341.db2.gz RKGFBIOCJDOXAH-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO CCC[C@@H]1C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000233306609 487708575 /nfs/dbraw/zinc/70/85/75/487708575.db2.gz PEJGGNSBLZWBIX-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO COCC[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675499770 487742617 /nfs/dbraw/zinc/74/26/17/487742617.db2.gz JFXHAWYULOYCEG-CYBMUJFWSA-N 1 3 249.358 1.629 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000251276242 487752974 /nfs/dbraw/zinc/75/29/74/487752974.db2.gz MIHCVYPIPSIDOL-XQQFMLRXSA-N 1 3 226.364 1.663 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000158613590 487770228 /nfs/dbraw/zinc/77/02/28/487770228.db2.gz QQABFKAWRLVJCR-QJPTWQEYSA-N 1 3 214.353 1.374 20 0 BDADHO NC[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000300367516 487779183 /nfs/dbraw/zinc/77/91/83/487779183.db2.gz KWTCGFSWGBFBBW-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000300367516 487779188 /nfs/dbraw/zinc/77/91/88/487779188.db2.gz KWTCGFSWGBFBBW-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000300367516 487779193 /nfs/dbraw/zinc/77/91/93/487779193.db2.gz KWTCGFSWGBFBBW-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251862940 487803971 /nfs/dbraw/zinc/80/39/71/487803971.db2.gz SZTMSVLJDDDWEF-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@H]2CCCO2)CC[C@H]1N ZINC000251862940 487803979 /nfs/dbraw/zinc/80/39/79/487803979.db2.gz SZTMSVLJDDDWEF-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@H]2CCCO2)CC[C@H]1N ZINC000251862940 487803984 /nfs/dbraw/zinc/80/39/84/487803984.db2.gz SZTMSVLJDDDWEF-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO CCOCCN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251924423 487807989 /nfs/dbraw/zinc/80/79/89/487807989.db2.gz YRYLSENWZNCVFI-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO CCCN1CC[C@@H]([NH2+]C2CCN(CC)CC2)C1 ZINC000383151956 487818370 /nfs/dbraw/zinc/81/83/70/487818370.db2.gz JWFWDMDAIUJLDO-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[C@]1(COC)CCC[N@@H+]1CCCN ZINC000414761061 487823046 /nfs/dbraw/zinc/82/30/46/487823046.db2.gz ZXVCBWKRTDNYHD-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCC[C@]1(COC)CCC[N@H+]1CCCN ZINC000414761061 487823051 /nfs/dbraw/zinc/82/30/51/487823051.db2.gz ZXVCBWKRTDNYHD-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818455 /nfs/dbraw/zinc/81/84/55/527818455.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 1 3 210.365 1.916 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818460 /nfs/dbraw/zinc/81/84/60/527818460.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 1 3 210.365 1.916 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818463 /nfs/dbraw/zinc/81/84/63/527818463.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 1 3 210.365 1.916 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2C)C1 ZINC000488355148 527818449 /nfs/dbraw/zinc/81/84/49/527818449.db2.gz RONBSJMKVOGAAF-AVGNSLFASA-N 1 3 210.365 1.916 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000234684093 487853056 /nfs/dbraw/zinc/85/30/56/487853056.db2.gz DQKWXTDPTDQLAK-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)[C@H](C)C1 ZINC000666947807 487912455 /nfs/dbraw/zinc/91/24/55/487912455.db2.gz IRJSNLRGAOPMBI-VOAKCMCISA-N 1 3 243.370 1.006 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993784 487923765 /nfs/dbraw/zinc/92/37/65/487923765.db2.gz JVSFHRIJMRTNBY-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CN(CCN1CCCCC1)C[C@@H]1CC[NH2+]C1 ZINC000652363488 487932673 /nfs/dbraw/zinc/93/26/73/487932673.db2.gz FYVPIPQBSDWDEI-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000235347669 487944504 /nfs/dbraw/zinc/94/45/04/487944504.db2.gz XNKPZHFVVMPKKH-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](C[NH3+])C(=O)Nc1ccc(CN(C)C)cc1 ZINC000054339699 322934413 /nfs/dbraw/zinc/93/44/13/322934413.db2.gz QTOTVPGUPXKCPU-JTQLQIEISA-N 1 3 235.331 1.282 20 0 BDADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000562603555 323025411 /nfs/dbraw/zinc/02/54/11/323025411.db2.gz PZSCEOBCHHVPFS-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000569658367 323035753 /nfs/dbraw/zinc/03/57/53/323035753.db2.gz CEKJLMPJZFVHQD-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@H]([NH3+])C1 ZINC000562962862 323036649 /nfs/dbraw/zinc/03/66/49/323036649.db2.gz UUZMCCOCFUTKAS-GVXVVHGQSA-N 1 3 248.374 1.657 20 0 BDADHO OC1(CNC2CC([NH+]3CCCCC3)C2)CCC1 ZINC000569837490 323042090 /nfs/dbraw/zinc/04/20/90/323042090.db2.gz RQGZHTJRNYCEHO-UHFFFAOYSA-N 1 3 238.375 1.508 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649962 323066136 /nfs/dbraw/zinc/06/61/36/323066136.db2.gz NPRIAOCWJDODMP-OLZOCXBDSA-N 1 3 240.391 1.789 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563427344 323126179 /nfs/dbraw/zinc/12/61/79/323126179.db2.gz YZGBQJOUZSUZGR-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cn1 ZINC000563427344 323126180 /nfs/dbraw/zinc/12/61/80/323126180.db2.gz YZGBQJOUZSUZGR-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO CC(C)NCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000571107235 323135765 /nfs/dbraw/zinc/13/57/65/323135765.db2.gz ZNPPIJSMZCGXFA-JTQLQIEISA-N 1 3 235.331 1.643 20 0 BDADHO C[C@H](Cc1ccsc1)NC[C@H](O)C[NH+](C)C ZINC000049181699 323158640 /nfs/dbraw/zinc/15/86/40/323158640.db2.gz WVKNHRIIIOBUSN-PWSUYJOCSA-N 1 3 242.388 1.191 20 0 BDADHO CC(C)[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000531978921 323162135 /nfs/dbraw/zinc/16/21/35/323162135.db2.gz HHPRHMZEZDIKDC-ZDUSSCGKSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cn[nH]c1 ZINC000571669739 323177401 /nfs/dbraw/zinc/17/74/01/323177401.db2.gz QGNQDPWEKRSAGM-JIMOISOXSA-N 1 3 234.347 1.448 20 0 BDADHO Cc1nccn1CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395120752 323187939 /nfs/dbraw/zinc/18/79/39/323187939.db2.gz GKLNYSQGJCNDTR-AAEUAGOBSA-N 1 3 236.363 1.312 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000395120752 323187940 /nfs/dbraw/zinc/18/79/40/323187940.db2.gz GKLNYSQGJCNDTR-AAEUAGOBSA-N 1 3 236.363 1.312 20 0 BDADHO C[C@H](NCC[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211536 323211647 /nfs/dbraw/zinc/21/16/47/323211647.db2.gz METULNBIFRYAIH-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2CN)CCOC1 ZINC000397223499 324113174 /nfs/dbraw/zinc/11/31/74/324113174.db2.gz LUGROXMSQLXNFD-GRYCIOLGSA-N 1 3 212.337 1.130 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@@]2(C)CC[NH2+]C2)O1 ZINC000398093002 324216802 /nfs/dbraw/zinc/21/68/02/324216802.db2.gz STEAIXBAGZVLQO-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086402144 325614431 /nfs/dbraw/zinc/61/44/31/325614431.db2.gz AQJRTGQIYDJXMZ-GHMZBOCLSA-N 1 3 200.326 1.273 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000253629477 325729388 /nfs/dbraw/zinc/72/93/88/325729388.db2.gz PUXUXUZWSPHCIN-REWJHTLYSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)NCCC[NH2+][C@H]1CCCOCC1 ZINC000564822865 325812355 /nfs/dbraw/zinc/81/23/55/325812355.db2.gz OJPVSWYSLVWPFB-LBPRGKRZSA-N 1 3 214.353 1.533 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352130 326036334 /nfs/dbraw/zinc/03/63/34/326036334.db2.gz XGEMUSPXBHNWGT-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000566352130 326036335 /nfs/dbraw/zinc/03/63/35/326036335.db2.gz XGEMUSPXBHNWGT-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](C(C)C)CC1 ZINC000566352130 326036336 /nfs/dbraw/zinc/03/63/36/326036336.db2.gz XGEMUSPXBHNWGT-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO [NH3+]C1(CNC[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000566743221 326079167 /nfs/dbraw/zinc/07/91/67/326079167.db2.gz PGWVXFADYGDPSW-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](N)C[C@@H]1C ZINC000235581460 487987101 /nfs/dbraw/zinc/98/71/01/487987101.db2.gz JXEBAUYMGZKLKM-NNYUYHANSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000235581460 487987105 /nfs/dbraw/zinc/98/71/05/487987105.db2.gz JXEBAUYMGZKLKM-NNYUYHANSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](N)C[C@@H]1C ZINC000235581460 487987096 /nfs/dbraw/zinc/98/70/96/487987096.db2.gz JXEBAUYMGZKLKM-NNYUYHANSA-N 1 3 212.337 1.223 20 0 BDADHO CC[C@@H]1CN(CCCOC)CC[C@@H]1[NH3+] ZINC000147417243 488015331 /nfs/dbraw/zinc/01/53/31/488015331.db2.gz AAOVAPLQARYOGN-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 ZINC000227551908 488028698 /nfs/dbraw/zinc/02/86/98/488028698.db2.gz LMWXXQQTELARQU-WISYIIOYSA-N 1 3 212.337 1.007 20 0 BDADHO Cc1csc(CCN[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000084221778 488038751 /nfs/dbraw/zinc/03/87/51/488038751.db2.gz OIGBYRWSIAUOEA-QWRGUYRKSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1csc(CC[NH2+][C@H]2CCC[C@H]2CN)n1 ZINC000084221778 488038756 /nfs/dbraw/zinc/03/87/56/488038756.db2.gz OIGBYRWSIAUOEA-QWRGUYRKSA-N 1 3 239.388 1.711 20 0 BDADHO C[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497477 488046422 /nfs/dbraw/zinc/04/64/22/488046422.db2.gz GBVZVIVQBNZPEL-GMKTYKIGSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663497477 488046426 /nfs/dbraw/zinc/04/64/26/488046426.db2.gz GBVZVIVQBNZPEL-GMKTYKIGSA-N 1 3 208.349 1.907 20 0 BDADHO C([C@@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257651316 488074848 /nfs/dbraw/zinc/07/48/48/488074848.db2.gz DIZMWEKKWPSAKQ-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO C([C@@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257651316 488074852 /nfs/dbraw/zinc/07/48/52/488074852.db2.gz DIZMWEKKWPSAKQ-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000683141240 488117749 /nfs/dbraw/zinc/11/77/49/488117749.db2.gz RZZKFDHUORWCPU-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000683141240 488117756 /nfs/dbraw/zinc/11/77/56/488117756.db2.gz RZZKFDHUORWCPU-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792815 488122398 /nfs/dbraw/zinc/12/23/98/488122398.db2.gz JYHIIETUSBQHAU-XBFCOCLRSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792815 488122403 /nfs/dbraw/zinc/12/24/03/488122403.db2.gz JYHIIETUSBQHAU-XBFCOCLRSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792815 488122412 /nfs/dbraw/zinc/12/24/12/488122412.db2.gz JYHIIETUSBQHAU-XBFCOCLRSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H]([NH3+])CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000669517792 488129694 /nfs/dbraw/zinc/12/96/94/488129694.db2.gz WQCRGEKWSPGXHX-PWSUYJOCSA-N 1 3 249.358 1.176 20 0 BDADHO CC[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000381079295 487494396 /nfs/dbraw/zinc/49/43/96/487494396.db2.gz QYDZFXGRVQLZRZ-OLZOCXBDSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381079295 487494397 /nfs/dbraw/zinc/49/43/97/487494397.db2.gz QYDZFXGRVQLZRZ-OLZOCXBDSA-N 1 3 228.380 1.562 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569954 487511561 /nfs/dbraw/zinc/51/15/61/487511561.db2.gz HUNOTZJMADKSIZ-MVKMKZAISA-N 1 3 226.364 1.397 20 0 BDADHO Cc1nc([C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)n[nH]1 ZINC000662273808 490044688 /nfs/dbraw/zinc/04/46/88/490044688.db2.gz PNSILRPHFWCOAW-JLLWLGSASA-N 1 3 249.362 1.106 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1cccc(N)c1)C2 ZINC000652352313 487930145 /nfs/dbraw/zinc/93/01/45/487930145.db2.gz BGZQBVIYZCRZIM-ZFWWWQNUSA-N 1 3 245.370 1.830 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(N)c1)C2 ZINC000652352313 487930150 /nfs/dbraw/zinc/93/01/50/487930150.db2.gz BGZQBVIYZCRZIM-ZFWWWQNUSA-N 1 3 245.370 1.830 20 0 BDADHO CNC(=O)[C@H](CC(C)C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222961430 488138362 /nfs/dbraw/zinc/13/83/62/488138362.db2.gz OMOQIKADIJFHSZ-WOPDTQHZSA-N 1 3 241.379 1.007 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)CC(C)C)cc1 ZINC000669520231 488138901 /nfs/dbraw/zinc/13/89/01/488138901.db2.gz GKJBVYSMNLQFDZ-CYBMUJFWSA-N 1 3 249.358 1.718 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167125914 488140800 /nfs/dbraw/zinc/14/08/00/488140800.db2.gz SIUSUDKEISOSDJ-SDDRHHMPSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167125914 488140802 /nfs/dbraw/zinc/14/08/02/488140802.db2.gz SIUSUDKEISOSDJ-SDDRHHMPSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@@H](C)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000223896251 488188773 /nfs/dbraw/zinc/18/87/73/488188773.db2.gz VBSACFWNWZXJHX-ZWKOPEQDSA-N 1 3 220.316 1.756 20 0 BDADHO c1cc(N2CCN(CC3CC3)CC2)cc[nH+]1 ZINC000673709411 488304927 /nfs/dbraw/zinc/30/49/27/488304927.db2.gz PVPRLDTWANMABD-UHFFFAOYSA-N 1 3 217.316 1.614 20 0 BDADHO CCCN(C)CC(=O)N(C)CCCC[NH+](C)C ZINC000673840297 488309432 /nfs/dbraw/zinc/30/94/32/488309432.db2.gz IKKCNRBPMZNTMX-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO FCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335011214 490102804 /nfs/dbraw/zinc/10/28/04/490102804.db2.gz UZEQGWGRFQKSFC-NSHDSACASA-N 1 3 200.301 1.422 20 0 BDADHO FCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335011214 490102811 /nfs/dbraw/zinc/10/28/11/490102811.db2.gz UZEQGWGRFQKSFC-NSHDSACASA-N 1 3 200.301 1.422 20 0 BDADHO FCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335011214 490102818 /nfs/dbraw/zinc/10/28/18/490102818.db2.gz UZEQGWGRFQKSFC-NSHDSACASA-N 1 3 200.301 1.422 20 0 BDADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC(C)(C)[NH3+] ZINC000084165180 490377660 /nfs/dbraw/zinc/37/76/60/490377660.db2.gz AIZZFGNYODFCLM-NSHDSACASA-N 1 3 243.395 1.206 20 0 BDADHO Cc1csc(CNC[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000235705853 491125830 /nfs/dbraw/zinc/12/58/30/491125830.db2.gz HIWQTFBVBBFWAG-ONGXEEELSA-N 1 3 239.388 1.929 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)CCCCO ZINC000309381690 491147688 /nfs/dbraw/zinc/14/76/88/491147688.db2.gz SAUGKNWZFLLQSD-CYBMUJFWSA-N 1 3 230.396 1.857 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)CCC[NH3+] ZINC000178829680 518188798 /nfs/dbraw/zinc/18/87/98/518188798.db2.gz YUUPEGYFELLVAO-UHFFFAOYSA-N 1 3 249.358 1.734 20 0 BDADHO CN1CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000084215962 536344379 /nfs/dbraw/zinc/34/43/79/536344379.db2.gz IAONFDYUWWRLCP-WCQYABFASA-N 1 3 225.380 1.188 20 0 BDADHO CC[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)C2)CCO1 ZINC000469463101 529317381 /nfs/dbraw/zinc/31/73/81/529317381.db2.gz QSUKYNCTVXFONZ-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)C2)CCO1 ZINC000469463101 529317382 /nfs/dbraw/zinc/31/73/82/529317382.db2.gz QSUKYNCTVXFONZ-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H]1C[C@H](C[N@@H+]2CCC[C@@H](N)C2)CCO1 ZINC000469463100 529326930 /nfs/dbraw/zinc/32/69/30/529326930.db2.gz QSUKYNCTVXFONZ-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H]1C[C@H](C[N@H+]2CCC[C@@H](N)C2)CCO1 ZINC000469463100 529326931 /nfs/dbraw/zinc/32/69/31/529326931.db2.gz QSUKYNCTVXFONZ-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@H](O)C2CC2)CC1 ZINC000070879960 535162120 /nfs/dbraw/zinc/16/21/20/535162120.db2.gz AONVDBMDFYFMOX-ZDUSSCGKSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000261937002 535236827 /nfs/dbraw/zinc/23/68/27/535236827.db2.gz MFDGBZADELVYAV-ZIAGYGMSSA-N 1 3 239.407 1.258 20 0 BDADHO CC(C)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000261716670 535237844 /nfs/dbraw/zinc/23/78/44/535237844.db2.gz FFDPNGIOEKEVCC-KGLIPLIRSA-N 1 3 239.407 1.258 20 0 BDADHO CC[C@@H](C)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219313063 535642849 /nfs/dbraw/zinc/64/28/49/535642849.db2.gz CFHIWTXPNYNICR-VXGBXAGGSA-N 1 3 216.369 1.589 20 0 BDADHO CCn1cc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261989288 536050505 /nfs/dbraw/zinc/05/05/05/536050505.db2.gz KCHDQVGRGHCOIZ-UHFFFAOYSA-N 1 3 248.374 1.479 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216993 536122665 /nfs/dbraw/zinc/12/26/65/536122665.db2.gz XFKHZQORYUWMIY-UTUOFQBUSA-N 1 3 214.353 1.519 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000252716170 536878229 /nfs/dbraw/zinc/87/82/29/536878229.db2.gz XTNOGULTLXJWDX-RNJOBUHISA-N 1 3 228.380 1.872 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000252716170 536878232 /nfs/dbraw/zinc/87/82/32/536878232.db2.gz XTNOGULTLXJWDX-RNJOBUHISA-N 1 3 228.380 1.872 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000252716169 536878727 /nfs/dbraw/zinc/87/87/27/536878727.db2.gz XTNOGULTLXJWDX-QNWHQSFQSA-N 1 3 228.380 1.872 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000252716169 536878731 /nfs/dbraw/zinc/87/87/31/536878731.db2.gz XTNOGULTLXJWDX-QNWHQSFQSA-N 1 3 228.380 1.872 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC2SCCS2)C1 ZINC000853023508 588716741 /nfs/dbraw/zinc/71/67/41/588716741.db2.gz ZLVOGPLFGFRQJP-NXEZZACHSA-N 1 3 246.445 1.852 20 0 BDADHO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000854226601 588780662 /nfs/dbraw/zinc/78/06/62/588780662.db2.gz IQZUQMOZMNUEBW-ZFQMDJOTSA-N 1 3 208.349 1.763 20 0 BDADHO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(N)n1 ZINC000113552493 588843527 /nfs/dbraw/zinc/84/35/27/588843527.db2.gz BSCODHDUXJYIDO-JTQLQIEISA-N 1 3 235.335 1.121 20 0 BDADHO Cc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(N)n1 ZINC000113552493 588843528 /nfs/dbraw/zinc/84/35/28/588843528.db2.gz BSCODHDUXJYIDO-JTQLQIEISA-N 1 3 235.335 1.121 20 0 BDADHO CN1CCC(C[N@@H+]2CCCOCC2)CC1 ZINC000891721314 582714142 /nfs/dbraw/zinc/71/41/42/582714142.db2.gz WYMUMXMJMFGEBD-UHFFFAOYSA-N 1 3 212.337 1.051 20 0 BDADHO CN1CCC(C[N@H+]2CCCOCC2)CC1 ZINC000891721314 582714146 /nfs/dbraw/zinc/71/41/46/582714146.db2.gz WYMUMXMJMFGEBD-UHFFFAOYSA-N 1 3 212.337 1.051 20 0 BDADHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NCC ZINC000848998842 582821061 /nfs/dbraw/zinc/82/10/61/582821061.db2.gz BQUOHRUJQMQHNX-GFCCVEGCSA-N 1 3 240.395 1.775 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCCO3)CC[C@H]21 ZINC000877742085 583345746 /nfs/dbraw/zinc/34/57/46/583345746.db2.gz OKONTYMDENYIAI-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)CC[C@H]21 ZINC000877742085 583345748 /nfs/dbraw/zinc/34/57/48/583345748.db2.gz OKONTYMDENYIAI-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000894568717 583484918 /nfs/dbraw/zinc/48/49/18/583484918.db2.gz NMFGQZXOSUANIK-AWEZNQCLSA-N 1 3 248.374 1.472 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000894568717 583484920 /nfs/dbraw/zinc/48/49/20/583484920.db2.gz NMFGQZXOSUANIK-AWEZNQCLSA-N 1 3 248.374 1.472 20 0 BDADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cnccn1 ZINC000894984871 583564562 /nfs/dbraw/zinc/56/45/62/583564562.db2.gz MPDDKDDRUVQEGF-STQMWFEESA-N 1 3 248.374 1.859 20 0 BDADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cnccn1 ZINC000894984871 583564563 /nfs/dbraw/zinc/56/45/63/583564563.db2.gz MPDDKDDRUVQEGF-STQMWFEESA-N 1 3 248.374 1.859 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CC1 ZINC000896045198 583765610 /nfs/dbraw/zinc/76/56/10/583765610.db2.gz DEOFYGFNCXCIRS-BETUJISGSA-N 1 3 240.416 1.623 20 0 BDADHO CN1CCC(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CC1 ZINC000896045198 583765611 /nfs/dbraw/zinc/76/56/11/583765611.db2.gz DEOFYGFNCXCIRS-BETUJISGSA-N 1 3 240.416 1.623 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000883441101 583813675 /nfs/dbraw/zinc/81/36/75/583813675.db2.gz HDQVFKYVSDSDCT-MLGHIDQZSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000883441101 583813676 /nfs/dbraw/zinc/81/36/76/583813676.db2.gz HDQVFKYVSDSDCT-MLGHIDQZSA-N 1 3 238.375 1.659 20 0 BDADHO CN1CC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000858127596 588934613 /nfs/dbraw/zinc/93/46/13/588934613.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127596 588934615 /nfs/dbraw/zinc/93/46/15/588934615.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127596 588934616 /nfs/dbraw/zinc/93/46/16/588934616.db2.gz JRVKPMQUPFJKBG-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO CCO[C@H](CN[C@H]1CC[C@@H]1SC)C[NH+](C)C ZINC000896880101 583844844 /nfs/dbraw/zinc/84/48/44/583844844.db2.gz NJMCCMNNCMNRJL-WOPDTQHZSA-N 1 3 246.420 1.437 20 0 BDADHO Cc1cc(N2CCN(C)CCN(C)CC2)cc[nH+]1 ZINC000897094339 583879444 /nfs/dbraw/zinc/87/94/44/583879444.db2.gz JDGWBQGIXTXVMO-UHFFFAOYSA-N 1 3 248.374 1.074 20 0 BDADHO CC[NH+](CC)CCNc1ccnc(CO)c1 ZINC000858308796 588943648 /nfs/dbraw/zinc/94/36/48/588943648.db2.gz QLNXHIZHFFJYBP-UHFFFAOYSA-N 1 3 223.320 1.328 20 0 BDADHO CC[NH+](CC)C[C@@H](C)Nc1ccnc(CO)c1 ZINC000858364672 588948642 /nfs/dbraw/zinc/94/86/42/588948642.db2.gz GWOIDXYRGZTATR-LLVKDONJSA-N 1 3 237.347 1.716 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNc1ccnc(CO)c1 ZINC000858386281 588950315 /nfs/dbraw/zinc/95/03/15/588950315.db2.gz ITTGHKXRSBKUMT-NSHDSACASA-N 1 3 237.347 1.716 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNc1ccnc(CO)c1 ZINC000858386281 588950317 /nfs/dbraw/zinc/95/03/17/588950317.db2.gz ITTGHKXRSBKUMT-NSHDSACASA-N 1 3 237.347 1.716 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203182 584090573 /nfs/dbraw/zinc/09/05/73/584090573.db2.gz GJNTYSFQVSPHLQ-MELADBBJSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203182 584090574 /nfs/dbraw/zinc/09/05/74/584090574.db2.gz GJNTYSFQVSPHLQ-MELADBBJSA-N 1 3 238.375 1.364 20 0 BDADHO CC[C@@H](O)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348402 584559038 /nfs/dbraw/zinc/55/90/38/584559038.db2.gz LMJSEHJRAKZXNR-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@H](O)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902348402 584559039 /nfs/dbraw/zinc/55/90/39/584559039.db2.gz LMJSEHJRAKZXNR-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000902377550 584568382 /nfs/dbraw/zinc/56/83/82/584568382.db2.gz UPRMTPIDDRAXDA-OTTFEQOBSA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000902412463 584576426 /nfs/dbraw/zinc/57/64/26/584576426.db2.gz AHGMHUBCFLNHBQ-VXGBXAGGSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902386402 584578203 /nfs/dbraw/zinc/57/82/03/584578203.db2.gz DESIMKAQVHOJJE-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390031 584581406 /nfs/dbraw/zinc/58/14/06/584581406.db2.gz FSCPPWAOCNERAK-AGIUHOORSA-N 1 3 240.391 1.922 20 0 BDADHO CCC[C@@H](O)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404055 584588841 /nfs/dbraw/zinc/58/88/41/584588841.db2.gz ISPPLPSYMQRLJV-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO CCC[C@@H](O)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902404055 584588842 /nfs/dbraw/zinc/58/88/42/584588842.db2.gz ISPPLPSYMQRLJV-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCON ZINC000902415784 584589930 /nfs/dbraw/zinc/58/99/30/584589930.db2.gz QZFDDIVQTZPLKH-RYUDHWBXSA-N 1 3 229.368 1.167 20 0 BDADHO C[C@@H](Cc1cccs1)NCC1([NH3+])CC1 ZINC000902415831 584590491 /nfs/dbraw/zinc/59/04/91/584590491.db2.gz KQAUOPDRDFBUFW-VIFPVBQESA-N 1 3 210.346 1.760 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429562 584594933 /nfs/dbraw/zinc/59/49/33/584594933.db2.gz MSEPJQNWRBVQKL-DGAVXFQQSA-N 1 3 240.391 1.645 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000902430039 584595026 /nfs/dbraw/zinc/59/50/26/584595026.db2.gz CCSPXOJUUIHTON-XJFOESAGSA-N 1 3 231.343 1.081 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCC[C@@H]1CCCC[C@@H]1O ZINC000902433289 584595904 /nfs/dbraw/zinc/59/59/04/584595904.db2.gz ZWSKIHFKESQAFV-CYDGBPFRSA-N 1 3 226.364 1.397 20 0 BDADHO CC1(C)CNC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000902444260 584598147 /nfs/dbraw/zinc/59/81/47/584598147.db2.gz MXZPBWGIYGJVGD-UTUOFQBUSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902473953 584602025 /nfs/dbraw/zinc/60/20/25/584602025.db2.gz AWJMYYYNLJTCQN-HTOAHKCRSA-N 1 3 238.375 1.673 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)[NH2+]2 ZINC000902453295 584607701 /nfs/dbraw/zinc/60/77/01/584607701.db2.gz OVTNGYKDPWDXNE-CGGCUGCTSA-N 1 3 248.370 1.281 20 0 BDADHO COc1nn(C)cc1CN[C@H](C)CCCC[NH3+] ZINC000902453595 584608317 /nfs/dbraw/zinc/60/83/17/584608317.db2.gz CHRANZUCHUXIKI-SNVBAGLBSA-N 1 3 240.351 1.036 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902455837 584609248 /nfs/dbraw/zinc/60/92/48/584609248.db2.gz NEGHSZJJIWHJFS-YFKTTZPYSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462326 584612138 /nfs/dbraw/zinc/61/21/38/584612138.db2.gz UPYMUJRYSVNCKP-MROQNXINSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902469224 584615718 /nfs/dbraw/zinc/61/57/18/584615718.db2.gz ZHLKRBOALATZSU-NJMOYASZSA-N 1 3 208.349 1.904 20 0 BDADHO C1CC2(CCOCC2)[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470462 584616512 /nfs/dbraw/zinc/61/65/12/584616512.db2.gz YAXMFKJTXJEFIA-UMSGYPCISA-N 1 3 236.359 1.428 20 0 BDADHO Cc1ncccc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000902511093 584622889 /nfs/dbraw/zinc/62/28/89/584622889.db2.gz BUTPTIXSYTWZKY-QWRGUYRKSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000902511093 584622890 /nfs/dbraw/zinc/62/28/90/584622890.db2.gz BUTPTIXSYTWZKY-QWRGUYRKSA-N 1 3 221.348 1.648 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCCCN1 ZINC000902482996 584623810 /nfs/dbraw/zinc/62/38/10/584623810.db2.gz ONEYNNYPFQHRFV-UTUOFQBUSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H](NC[C@@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000902483967 584624554 /nfs/dbraw/zinc/62/45/54/584624554.db2.gz TZSJHFUTMXWVQB-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1COC[C@@H]1C1CC1 ZINC000902517532 584629813 /nfs/dbraw/zinc/62/98/13/584629813.db2.gz JBVCWMMCCFPNHV-RUZUBIRVSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902517532 584629814 /nfs/dbraw/zinc/62/98/14/584629814.db2.gz JBVCWMMCCFPNHV-RUZUBIRVSA-N 1 3 238.375 1.389 20 0 BDADHO COC[C@@H](CCC[NH3+])NC/C=C\Cl ZINC000902517566 584630260 /nfs/dbraw/zinc/63/02/60/584630260.db2.gz JNTRJKABXSEWSA-AZVKUDOFSA-N 1 3 206.717 1.082 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOC1CCSCC1 ZINC000902521393 584631803 /nfs/dbraw/zinc/63/18/03/584631803.db2.gz RXUXKUPZUODSHN-MNOVXSKESA-N 1 3 246.420 1.614 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902971179 584712578 /nfs/dbraw/zinc/71/25/78/584712578.db2.gz UICWWXSIFKDVAR-BTTYYORXSA-N 1 3 240.391 1.733 20 0 BDADHO CCO[C@H](CN[C@@H]1CCC[C@@H]1OC)C[NH+](C)C ZINC000903224273 584738012 /nfs/dbraw/zinc/73/80/12/584738012.db2.gz SYZCZXFLWXNKAY-UPJWGTAASA-N 1 3 244.379 1.110 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000903316799 584750194 /nfs/dbraw/zinc/75/01/94/584750194.db2.gz HWCZGOKGEAXRMM-SYQHCUMBSA-N 1 3 237.391 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000903316799 584750196 /nfs/dbraw/zinc/75/01/96/584750196.db2.gz HWCZGOKGEAXRMM-SYQHCUMBSA-N 1 3 237.391 1.153 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCc1ccns1 ZINC000903426472 584761263 /nfs/dbraw/zinc/76/12/63/584761263.db2.gz LDFOKZMNGJIOPU-NSHDSACASA-N 1 3 227.377 1.649 20 0 BDADHO C[C@H](CO)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903461226 584766548 /nfs/dbraw/zinc/76/65/48/584766548.db2.gz QASALLPQUUQYRL-BZPMIXESSA-N 1 3 240.391 1.182 20 0 BDADHO [NH3+]C[C@H](NCCOC1CC1)C1CCCCC1 ZINC000903455307 584773802 /nfs/dbraw/zinc/77/38/02/584773802.db2.gz STAOMAOAWLXWPC-ZDUSSCGKSA-N 1 3 226.364 1.663 20 0 BDADHO COC(=O)CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903471318 584775285 /nfs/dbraw/zinc/77/52/85/584775285.db2.gz IMGJSTMTJYTXMY-LLVKDONJSA-N 1 3 240.347 1.204 20 0 BDADHO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCNC12CCC2 ZINC000903471764 584775296 /nfs/dbraw/zinc/77/52/96/584775296.db2.gz MAUYZZGQBYSDMR-RYUDHWBXSA-N 1 3 224.348 1.430 20 0 BDADHO C(C[C@@H]1CCCCO1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903470975 584775384 /nfs/dbraw/zinc/77/53/84/584775384.db2.gz FTVMIIGAJWGEPC-QWHCGFSZSA-N 1 3 238.375 1.820 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCNC23CCCC3)C1 ZINC000903482157 584778866 /nfs/dbraw/zinc/77/88/66/584778866.db2.gz YNYVCXNOTQRORW-XQQFMLRXSA-N 1 3 238.375 1.676 20 0 BDADHO [NH3+]CCCN1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000903490690 584780824 /nfs/dbraw/zinc/78/08/24/584780824.db2.gz DJHOXEHKGUNRRJ-CABCVRRESA-N 1 3 246.354 1.235 20 0 BDADHO CC(C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903513255 584781412 /nfs/dbraw/zinc/78/14/12/584781412.db2.gz ZXMXPEHTFMGOKU-OKILXGFUSA-N 1 3 237.391 1.295 20 0 BDADHO CC(C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903513255 584781414 /nfs/dbraw/zinc/78/14/14/584781414.db2.gz ZXMXPEHTFMGOKU-OKILXGFUSA-N 1 3 237.391 1.295 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H]1COC(C)(C)C ZINC000903563789 584781981 /nfs/dbraw/zinc/78/19/81/584781981.db2.gz LHKIKUVJFQKIFW-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)[C@](C)(CN)[NH2+]Cc1cnn(CCF)c1 ZINC000903718067 584792291 /nfs/dbraw/zinc/79/22/91/584792291.db2.gz YXTZLEMAYCDYOM-LBPRGKRZSA-N 1 3 242.342 1.316 20 0 BDADHO CC1CC(CN2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000903749538 584794880 /nfs/dbraw/zinc/79/48/80/584794880.db2.gz LHEYRXGKKMPJIP-JXQTWKCFSA-N 1 3 237.391 1.012 20 0 BDADHO CN(CCCF)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784226 584800261 /nfs/dbraw/zinc/80/02/61/584800261.db2.gz LXUXCRAZVARDHB-VXGBXAGGSA-N 1 3 230.327 1.046 20 0 BDADHO FCCCN1CC[NH2+]CCC12CCOCC2 ZINC000903818908 584803607 /nfs/dbraw/zinc/80/36/07/584803607.db2.gz XWYYWVAVJQSUEW-UHFFFAOYSA-N 1 3 230.327 1.191 20 0 BDADHO C[C@H]1CCOCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903832994 584806062 /nfs/dbraw/zinc/80/60/62/584806062.db2.gz VAQWXEMMEFFOTO-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C=C/C=C/CCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857860 584810515 /nfs/dbraw/zinc/81/05/15/584810515.db2.gz GCUIXSRGRFDSNN-HORCIZIBSA-N 1 3 206.333 1.932 20 0 BDADHO NCCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903875948 584816704 /nfs/dbraw/zinc/81/67/04/584816704.db2.gz UOANOEHQCYLEHK-CHWSQXEVSA-N 1 3 226.364 1.474 20 0 BDADHO NCCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903875948 584816705 /nfs/dbraw/zinc/81/67/05/584816705.db2.gz UOANOEHQCYLEHK-CHWSQXEVSA-N 1 3 226.364 1.474 20 0 BDADHO Cc1c(C[C@@H](CN)C[NH2+]CC(C)C)cnn1C ZINC000903924287 584823622 /nfs/dbraw/zinc/82/36/22/584823622.db2.gz BJSNCDZXSKKNQG-LBPRGKRZSA-N 1 3 238.379 1.092 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@@H]([NH3+])CC(F)F ZINC000903932812 584825175 /nfs/dbraw/zinc/82/51/75/584825175.db2.gz WBKNGIMSPXGKBU-UWVGGRQHSA-N 1 3 243.301 1.585 20 0 BDADHO COC[C@H](C)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959908 584827552 /nfs/dbraw/zinc/82/75/52/584827552.db2.gz RPMCFGJTLHBBJR-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@]1(CN2CC[C@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953381 584831326 /nfs/dbraw/zinc/83/13/26/584831326.db2.gz DQLSGVYUKRAKFJ-MJBXVCDLSA-N 1 3 238.375 1.487 20 0 BDADHO CC(C)CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972418 584832674 /nfs/dbraw/zinc/83/26/74/584832674.db2.gz IHPGQEVOGBFCJE-GFCCVEGCSA-N 1 3 226.364 1.391 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CNC[C@H]2C)CCO1 ZINC000903963716 584833752 /nfs/dbraw/zinc/83/37/52/584833752.db2.gz GQBSOCMSMBEXFO-YVECIDJPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@H]1CCCSC1 ZINC000903966764 584834540 /nfs/dbraw/zinc/83/45/40/584834540.db2.gz BMSMZHFUEQICKR-VWYCJHECSA-N 1 3 214.378 1.327 20 0 BDADHO CCCC[C@H](COC)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967505 584835046 /nfs/dbraw/zinc/83/50/46/584835046.db2.gz KABYKXFHBBGOKF-FRRDWIJNSA-N 1 3 228.380 1.637 20 0 BDADHO [NH3+][C@@H](CN[C@@H]1CCO[C@H]1C1CC1)CC(F)F ZINC000903986582 584835651 /nfs/dbraw/zinc/83/56/51/584835651.db2.gz MQYHHABUBKLIEZ-KKZNHRDASA-N 1 3 234.290 1.126 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986418 584835697 /nfs/dbraw/zinc/83/56/97/584835697.db2.gz JFVIRNZTIXDQLG-RVMXOQNASA-N 1 3 224.348 1.413 20 0 BDADHO C[C@]1(CN2CCC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904301553 584861215 /nfs/dbraw/zinc/86/12/15/584861215.db2.gz NRRORSCUCNEWEZ-OLZOCXBDSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@]1(C[N@@H+]2CCC[C@@H](CO)C2)CCCNC1 ZINC000904301553 584861217 /nfs/dbraw/zinc/86/12/17/584861217.db2.gz NRRORSCUCNEWEZ-OLZOCXBDSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@]1(C[N@H+]2CCC[C@@H](CO)C2)CCCNC1 ZINC000904301553 584861219 /nfs/dbraw/zinc/86/12/19/584861219.db2.gz NRRORSCUCNEWEZ-OLZOCXBDSA-N 1 3 226.364 1.080 20 0 BDADHO CCC[N@H+](CCO)C[C@H](N)CCC(C)(C)C ZINC000904303876 584862217 /nfs/dbraw/zinc/86/22/17/584862217.db2.gz KLPPBLKYZJTUDM-GFCCVEGCSA-N 1 3 230.396 1.844 20 0 BDADHO CCC[N@@H+](CCO)C[C@H](N)CCC(C)(C)C ZINC000904303876 584862218 /nfs/dbraw/zinc/86/22/18/584862218.db2.gz KLPPBLKYZJTUDM-GFCCVEGCSA-N 1 3 230.396 1.844 20 0 BDADHO CC1(CO)CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904331522 584866131 /nfs/dbraw/zinc/86/61/31/584866131.db2.gz JBRFSIVGFNEBNU-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO CC1(CO)CC[NH+](C[C@]2(C)CCCNC2)CC1 ZINC000904331522 584866132 /nfs/dbraw/zinc/86/61/32/584866132.db2.gz JBRFSIVGFNEBNU-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO CC[N@H+](CCCO)C[C@@H](N)CCC(C)(C)C ZINC000904340752 584866404 /nfs/dbraw/zinc/86/64/04/584866404.db2.gz CFRRAJFPROTWHW-LBPRGKRZSA-N 1 3 230.396 1.844 20 0 BDADHO CC[N@@H+](CCCO)C[C@@H](N)CCC(C)(C)C ZINC000904340752 584866406 /nfs/dbraw/zinc/86/64/06/584866406.db2.gz CFRRAJFPROTWHW-LBPRGKRZSA-N 1 3 230.396 1.844 20 0 BDADHO C[N@H+](CCCCO)C[C@]1(C)CCCNC1 ZINC000904341350 584867026 /nfs/dbraw/zinc/86/70/26/584867026.db2.gz OCYMJTGAJOMLQG-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO C[N@@H+](CCCCO)C[C@]1(C)CCCNC1 ZINC000904341350 584867027 /nfs/dbraw/zinc/86/70/27/584867027.db2.gz OCYMJTGAJOMLQG-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@]1(C)CO ZINC000904341527 584867233 /nfs/dbraw/zinc/86/72/33/584867233.db2.gz UCDXAQVADDDFGO-GXTWGEPZSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@]1(C)CO ZINC000904341527 584867234 /nfs/dbraw/zinc/86/72/34/584867234.db2.gz UCDXAQVADDDFGO-GXTWGEPZSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@H+](CCO)C1CCC1 ZINC000904345764 584868431 /nfs/dbraw/zinc/86/84/31/584868431.db2.gz MYHBVZMMZCOCQL-GFCCVEGCSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@@H+](CCO)C1CCC1 ZINC000904345764 584868433 /nfs/dbraw/zinc/86/84/33/584868433.db2.gz MYHBVZMMZCOCQL-GFCCVEGCSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@H](CCC[NH3+])NCc1nccn1C1CC1 ZINC000904354893 584870897 /nfs/dbraw/zinc/87/08/97/584870897.db2.gz KRGHKZIDCIOCEK-SNVBAGLBSA-N 1 3 222.336 1.435 20 0 BDADHO CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1C[C@H](F)CN1 ZINC000904355475 584871236 /nfs/dbraw/zinc/87/12/36/584871236.db2.gz SEDOPQIOMJLIOI-SRVKXCTJSA-N 1 3 245.386 1.430 20 0 BDADHO Cc1csc(CNC2CC(C[NH3+])C2)n1 ZINC000904367210 584872864 /nfs/dbraw/zinc/87/28/64/584872864.db2.gz WPBYSGUHHFBFRP-UHFFFAOYSA-N 1 3 211.334 1.278 20 0 BDADHO C[C@H](O)C[N@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000904377058 584876218 /nfs/dbraw/zinc/87/62/18/584876218.db2.gz IRLUNJCKGGVWOV-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)C[N@@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000904377058 584876220 /nfs/dbraw/zinc/87/62/20/584876220.db2.gz IRLUNJCKGGVWOV-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@]12COC[C@@H]1C[N@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379813 584876474 /nfs/dbraw/zinc/87/64/74/584876474.db2.gz XWFZFFVFOUWFGU-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@]12COC[C@@H]1C[N@@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379813 584876476 /nfs/dbraw/zinc/87/64/76/584876476.db2.gz XWFZFFVFOUWFGU-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO CC(C)(C)CC[C@H]([NH3+])CN1CC[C@@H](F)[C@H](N)C1 ZINC000904379816 584876550 /nfs/dbraw/zinc/87/65/50/584876550.db2.gz XZYZQSLBVGTYPW-QJPTWQEYSA-N 1 3 245.386 1.511 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1CO ZINC000904381589 584877050 /nfs/dbraw/zinc/87/70/50/584877050.db2.gz ZERDAMOKVKWUSE-RDBSUJKOSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C[C@H]1CO ZINC000904381589 584877051 /nfs/dbraw/zinc/87/70/51/584877051.db2.gz ZERDAMOKVKWUSE-RDBSUJKOSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C[C@H]1CO ZINC000904381589 584877053 /nfs/dbraw/zinc/87/70/53/584877053.db2.gz ZERDAMOKVKWUSE-RDBSUJKOSA-N 1 3 240.391 1.326 20 0 BDADHO CC1(C)C[C@H](O)CN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904383926 584877334 /nfs/dbraw/zinc/87/73/34/584877334.db2.gz DDWVXYZLCTUESB-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@H](O)C[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904383926 584877336 /nfs/dbraw/zinc/87/73/36/584877336.db2.gz DDWVXYZLCTUESB-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@H](O)C[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904383926 584877338 /nfs/dbraw/zinc/87/73/38/584877338.db2.gz DDWVXYZLCTUESB-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO CCOc1cccc(CN2CC[C@@H](CC[NH3+])C2)n1 ZINC000904405666 584878669 /nfs/dbraw/zinc/87/86/69/584878669.db2.gz MHQLGHYYWCWWTA-GFCCVEGCSA-N 1 3 249.358 1.651 20 0 BDADHO CCn1cc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411090 584879818 /nfs/dbraw/zinc/87/98/18/584879818.db2.gz JYDYSCQYVGDWFK-YPMHNXCESA-N 1 3 236.363 1.320 20 0 BDADHO CC[NH+](CC)CCOCCNCc1ccoc1 ZINC000757945213 585347368 /nfs/dbraw/zinc/34/73/68/585347368.db2.gz ZXYKWHJNWDRWTA-UHFFFAOYSA-N 1 3 240.347 1.728 20 0 BDADHO CC(C)[N@@H+]1CCCN(CCN2CCCC2)CC1 ZINC000760827737 585398431 /nfs/dbraw/zinc/39/84/31/585398431.db2.gz NKFWONDHNUCVHU-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO CC(C)[N@H+]1CCCN(CCN2CCCC2)CC1 ZINC000760827737 585398432 /nfs/dbraw/zinc/39/84/32/585398432.db2.gz NKFWONDHNUCVHU-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@H]1CN(CC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000788478855 585925097 /nfs/dbraw/zinc/92/50/97/585925097.db2.gz KCPJGVIFLSKGMC-LBPRGKRZSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CCC=C(c2cccc(C[NH3+])c2)C1 ZINC000757571812 586462463 /nfs/dbraw/zinc/46/24/63/586462463.db2.gz MUZKDYXBDATRPV-UHFFFAOYSA-N 1 3 202.301 1.864 20 0 BDADHO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N)n1 ZINC000811811429 586567237 /nfs/dbraw/zinc/56/72/37/586567237.db2.gz BVKJUAUVGGCPCP-NXEZZACHSA-N 1 3 247.346 1.404 20 0 BDADHO Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N)n1 ZINC000811811429 586567238 /nfs/dbraw/zinc/56/72/38/586567238.db2.gz BVKJUAUVGGCPCP-NXEZZACHSA-N 1 3 247.346 1.404 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)c1ccccc1 ZINC000817892690 586832888 /nfs/dbraw/zinc/83/28/88/586832888.db2.gz BPLFKBFIJJHZJR-SNPRPXQTSA-N 1 3 248.370 1.698 20 0 BDADHO CSC(C)(C)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000817897903 586835244 /nfs/dbraw/zinc/83/52/44/586835244.db2.gz APFOJIYTDNICAK-NXEZZACHSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccc(Cl)nc1 ZINC000817902299 586836284 /nfs/dbraw/zinc/83/62/84/586836284.db2.gz MUMQQADOZOMEAO-VHSXEESVSA-N 1 3 241.766 1.993 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccc(Cl)nc1 ZINC000817902299 586836285 /nfs/dbraw/zinc/83/62/85/586836285.db2.gz MUMQQADOZOMEAO-VHSXEESVSA-N 1 3 241.766 1.993 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNc1ccccc1 ZINC000817901949 586836354 /nfs/dbraw/zinc/83/63/54/586836354.db2.gz ZXHWQUMTVHPZMX-GXTWGEPZSA-N 1 3 233.359 1.816 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901949 586836357 /nfs/dbraw/zinc/83/63/57/586836357.db2.gz ZXHWQUMTVHPZMX-GXTWGEPZSA-N 1 3 233.359 1.816 20 0 BDADHO C[C@@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000817913144 586838061 /nfs/dbraw/zinc/83/80/61/586838061.db2.gz FYRULMNWGPEFRZ-HZSPNIEDSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCC(C)(O)CC1 ZINC000817913085 586838489 /nfs/dbraw/zinc/83/84/89/586838489.db2.gz NXHVYTYOFTZGRJ-IGJPJIBNSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1cccc(F)n1 ZINC000817918473 586840308 /nfs/dbraw/zinc/84/03/08/586840308.db2.gz UWFRYFJKLIZFKN-SNVBAGLBSA-N 1 3 225.311 1.828 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817926495 586841005 /nfs/dbraw/zinc/84/10/05/586841005.db2.gz KHCJXEGVNGCJLB-KKUMJFAQSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1cccnc1F ZINC000817927362 586841750 /nfs/dbraw/zinc/84/17/50/586841750.db2.gz JXTGSXCCNVJXKE-JTQLQIEISA-N 1 3 225.311 1.828 20 0 BDADHO C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935700 586844431 /nfs/dbraw/zinc/84/44/31/586844431.db2.gz DAPZERNYPLYUNQ-VXNVDRBHSA-N 1 3 237.174 1.768 20 0 BDADHO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN)c(C)n1 ZINC000817970542 586858297 /nfs/dbraw/zinc/85/82/97/586858297.db2.gz ZNSQQIUMCWEKDI-GXSJLCMTSA-N 1 3 207.321 1.696 20 0 BDADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000818954096 586917403 /nfs/dbraw/zinc/91/74/03/586917403.db2.gz SIUKTHBTWBUDDN-HNNXBMFYSA-N 1 3 248.370 1.609 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818981216 586920193 /nfs/dbraw/zinc/92/01/93/586920193.db2.gz STIIILNIMOIQIB-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC000818981216 586920194 /nfs/dbraw/zinc/92/01/94/586920194.db2.gz STIIILNIMOIQIB-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC000818981216 586920196 /nfs/dbraw/zinc/92/01/96/586920196.db2.gz STIIILNIMOIQIB-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H](CCNC[C@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231512 586940952 /nfs/dbraw/zinc/94/09/52/586940952.db2.gz XNUZXQUTSVUHQD-JSGCOSHPSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H](CC[NH2+]C[C@H](O)C1CC1)N1CCCCC1 ZINC000819231512 586940955 /nfs/dbraw/zinc/94/09/55/586940955.db2.gz XNUZXQUTSVUHQD-JSGCOSHPSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(C[NH2+]C[C@@H](O)C1CC1)CN1CCCC1 ZINC000819260500 586944584 /nfs/dbraw/zinc/94/45/84/586944584.db2.gz UAOUSQLGMQPDJU-CYBMUJFWSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)(CNC[C@@H](O)C1CC1)C[NH+]1CCCC1 ZINC000819260500 586944586 /nfs/dbraw/zinc/94/45/86/586944586.db2.gz UAOUSQLGMQPDJU-CYBMUJFWSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](CCO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820810950 587074191 /nfs/dbraw/zinc/07/41/91/587074191.db2.gz HZMATWWWJJSNNX-CRMUJIHISA-N 1 3 238.375 1.505 20 0 BDADHO C[C@@H](CCO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820810950 587074192 /nfs/dbraw/zinc/07/41/92/587074192.db2.gz HZMATWWWJJSNNX-CRMUJIHISA-N 1 3 238.375 1.505 20 0 BDADHO C[C@H]1CCCN1CCNC(=O)CCCCC[NH3+] ZINC000831970493 587639999 /nfs/dbraw/zinc/63/99/99/587639999.db2.gz HHMFHTHPPMRAFA-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO CN(CCN(C)C1CC1)C(=O)CCCCC[NH3+] ZINC000832082473 587644610 /nfs/dbraw/zinc/64/46/10/587644610.db2.gz NDXKDCZYDMHBKA-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO C[C@H](NC1CC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000832223765 587651937 /nfs/dbraw/zinc/65/19/37/587651937.db2.gz VDXIDLAXZIMCHG-VIFPVBQESA-N 1 3 233.315 1.224 20 0 BDADHO CCCCCCN(C)CC(=O)N1CC[C@H]([NH3+])C1 ZINC000832526387 587664944 /nfs/dbraw/zinc/66/49/44/587664944.db2.gz CPTWVHHUJOWIJJ-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCCCCCN(C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000832726320 587679729 /nfs/dbraw/zinc/67/97/29/587679729.db2.gz OEENKDDHYXLACY-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000834821896 587767670 /nfs/dbraw/zinc/76/76/70/587767670.db2.gz UQFGRHXDDYPCMF-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO NCc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000834861522 587768707 /nfs/dbraw/zinc/76/87/07/587768707.db2.gz JDMCHPRZMSQVJY-WCQYABFASA-N 1 3 247.342 1.003 20 0 BDADHO [NH3+]CCCN1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000841007341 587934806 /nfs/dbraw/zinc/93/48/06/587934806.db2.gz PHILTCYFODETEY-HUUCEWRRSA-N 1 3 248.370 1.923 20 0 BDADHO Cc1cc(C[NH2+][C@H](CN)C2CC2)cnc1Cl ZINC000841027498 587936769 /nfs/dbraw/zinc/93/67/69/587936769.db2.gz CJBWRHKKMSRBBQ-LLVKDONJSA-N 1 3 239.750 1.870 20 0 BDADHO CCCCC[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000841088388 587942905 /nfs/dbraw/zinc/94/29/05/587942905.db2.gz ZULYAENZMJQNLY-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO CCC(CC)(C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000841848726 587977756 /nfs/dbraw/zinc/97/77/56/587977756.db2.gz QIDXJLNTCLEHJY-UHFFFAOYSA-N 1 3 249.358 1.393 20 0 BDADHO c1ccc([C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113924 588082419 /nfs/dbraw/zinc/08/24/19/588082419.db2.gz BOCOUEUZNCGUQY-KBPBESRZSA-N 1 3 245.370 1.871 20 0 BDADHO C[C@H](NCCCCCC[NH3+])c1ccc(=O)[nH]n1 ZINC000843341209 588100939 /nfs/dbraw/zinc/10/09/39/588100939.db2.gz HKYYWQJBICQPKI-JTQLQIEISA-N 1 3 238.335 1.352 20 0 BDADHO C[C@H](NCCCCCC[NH3+])c1cnccn1 ZINC000843343642 588101306 /nfs/dbraw/zinc/10/13/06/588101306.db2.gz WLGCQKRXPOQLEG-NSHDSACASA-N 1 3 222.336 1.646 20 0 BDADHO Cc1cccc2c1CCN(CCOCC[NH3+])C2 ZINC000843358501 588103681 /nfs/dbraw/zinc/10/36/81/588103681.db2.gz POCYSNSFACKEGF-UHFFFAOYSA-N 1 3 234.343 1.328 20 0 BDADHO FCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386054 588105339 /nfs/dbraw/zinc/10/53/39/588105339.db2.gz BISCPNFQVISLMP-NWDGAFQWSA-N 1 3 214.328 1.668 20 0 BDADHO CN(Cc1cc2n(n1)CCC2)C1CCC([NH3+])CC1 ZINC000846218003 588260722 /nfs/dbraw/zinc/26/07/22/588260722.db2.gz RLMWVXMYJNRTTA-UHFFFAOYSA-N 1 3 248.374 1.531 20 0 BDADHO CN(CCC[NH3+])[C@H]1C[C@@H]1c1ccccc1 ZINC000846222011 588261084 /nfs/dbraw/zinc/26/10/84/588261084.db2.gz KHCDUOHRJVKMOI-OLZOCXBDSA-N 1 3 204.317 1.823 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(CN)c1 ZINC000846744354 588284336 /nfs/dbraw/zinc/28/43/36/588284336.db2.gz YXTYAPAIKVECBS-MFKMUULPSA-N 1 3 247.342 1.097 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](CC(C)C)N(CC)CC ZINC000848984136 588424861 /nfs/dbraw/zinc/42/48/61/588424861.db2.gz RYRANPODLABTPI-GFCCVEGCSA-N 1 3 242.411 1.877 20 0 BDADHO CC[C@@H](CNC(=[NH2+])N1CCC1)N1CCCC1 ZINC000848986464 588425578 /nfs/dbraw/zinc/42/55/78/588425578.db2.gz UTDHYVRLHGDQLG-NSHDSACASA-N 1 3 224.352 1.091 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCC1)N1CCC[C@H](C)C1 ZINC000848986958 588425902 /nfs/dbraw/zinc/42/59/02/588425902.db2.gz BREVXVCFWDEHMO-RYUDHWBXSA-N 1 3 238.379 1.337 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NCCN1CCCCCC1 ZINC000848987768 588426191 /nfs/dbraw/zinc/42/61/91/588426191.db2.gz YXHBDPYQRGOUCA-GFCCVEGCSA-N 1 3 240.395 1.775 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004258 588431546 /nfs/dbraw/zinc/43/15/46/588431546.db2.gz JQXRNHFKZYNXCJ-MNOVXSKESA-N 1 3 226.368 1.241 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCCCCC1)CN(C)C ZINC000849030451 588442763 /nfs/dbraw/zinc/44/27/63/588442763.db2.gz ONVFLWQDDHJKLN-LBPRGKRZSA-N 1 3 240.395 1.584 20 0 BDADHO C[C@H](C[NH2+]C1CC(CF)(CF)C1)CN(C)C ZINC000850472458 588549221 /nfs/dbraw/zinc/54/92/21/588549221.db2.gz ZCAAZCZTYZRHRK-SNVBAGLBSA-N 1 3 234.334 1.862 20 0 BDADHO CN1CCC(C[N@H+](C)CCOCC2CC2)CC1 ZINC000119022967 589231695 /nfs/dbraw/zinc/23/16/95/589231695.db2.gz UERKPGDIGHVBSV-UHFFFAOYSA-N 1 3 240.391 1.687 20 0 BDADHO CN1CCC(C[N@@H+](C)CCOCC2CC2)CC1 ZINC000119022967 589231696 /nfs/dbraw/zinc/23/16/96/589231696.db2.gz UERKPGDIGHVBSV-UHFFFAOYSA-N 1 3 240.391 1.687 20 0 BDADHO C[C@@H]1CC([NH2+][C@H]2CCNC23CCC3)C[C@@H](C)O1 ZINC000863483057 589292425 /nfs/dbraw/zinc/29/24/25/589292425.db2.gz POYYYZCHYOKUQE-WZRBSPASSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC23CCC3)CCO1 ZINC000863483747 589293270 /nfs/dbraw/zinc/29/32/70/589293270.db2.gz ZRVVHVGFZLQSAX-UPJWGTAASA-N 1 3 238.375 1.676 20 0 BDADHO COC(=O)C1=CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000863541454 589297020 /nfs/dbraw/zinc/29/70/20/589297020.db2.gz IXTBZLVADVWPDR-TUAOUCFPSA-N 1 3 238.331 1.108 20 0 BDADHO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000863541454 589297022 /nfs/dbraw/zinc/29/70/22/589297022.db2.gz IXTBZLVADVWPDR-TUAOUCFPSA-N 1 3 238.331 1.108 20 0 BDADHO COC[C@]1(C)CN(CCCCCC[NH3+])CCO1 ZINC000863575144 589301018 /nfs/dbraw/zinc/30/10/18/589301018.db2.gz FEPJUQUYXUSIQN-ZDUSSCGKSA-N 1 3 244.379 1.243 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@@H]1CCCN(C)C1 ZINC000864459070 589368229 /nfs/dbraw/zinc/36/82/29/589368229.db2.gz ZSOSUDIXFBNXKM-NSHDSACASA-N 1 3 240.395 1.631 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000866665089 589509435 /nfs/dbraw/zinc/50/94/35/589509435.db2.gz SPAMCXRPFUWDTO-BFHYXJOUSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000866665089 589509436 /nfs/dbraw/zinc/50/94/36/589509436.db2.gz SPAMCXRPFUWDTO-BFHYXJOUSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H](C[NH3+])C(=O)N1c2ccccc2[C@H](N)C1(C)C ZINC000867988465 589542750 /nfs/dbraw/zinc/54/27/50/589542750.db2.gz MHHMONQKUBNLRX-CABZTGNLSA-N 1 3 247.342 1.406 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CC2(CCC2)CO1 ZINC000872144664 589884205 /nfs/dbraw/zinc/88/42/05/589884205.db2.gz IHPLYBZIBPWUHA-YNEHKIRRSA-N 1 3 238.375 1.805 20 0 BDADHO CN(CCCCCC[NH3+])[C@H]1CCCN(C)C1=O ZINC000872155168 589886400 /nfs/dbraw/zinc/88/64/00/589886400.db2.gz FFDABXSYODXXPX-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CN(CC1CN(C)C1)c1cc[nH+]cc1C1CC1 ZINC000872598869 589955433 /nfs/dbraw/zinc/95/54/33/589955433.db2.gz YCHSXQKNJVXQJP-UHFFFAOYSA-N 1 3 231.343 1.957 20 0 BDADHO CN(CCC1OCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000124399665 589984025 /nfs/dbraw/zinc/98/40/25/589984025.db2.gz KKHRNAOCDLYJFV-GFCCVEGCSA-N 1 3 242.363 1.023 20 0 BDADHO CN(CCC1OCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000124399665 589984026 /nfs/dbraw/zinc/98/40/26/589984026.db2.gz KKHRNAOCDLYJFV-GFCCVEGCSA-N 1 3 242.363 1.023 20 0 BDADHO CC(C)C[C@H]([NH3+])CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873218051 589998676 /nfs/dbraw/zinc/99/86/76/589998676.db2.gz XVPFTYOBFVHPPM-XNBXPENISA-N 1 3 238.375 1.373 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873255706 590010977 /nfs/dbraw/zinc/01/09/77/590010977.db2.gz IKWWDNKJBKHMBP-FXPVBKGRSA-N 1 3 223.295 1.609 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCOC2=O)C1 ZINC000873283625 590019317 /nfs/dbraw/zinc/01/93/17/590019317.db2.gz YKYPPBXFFLCUBB-QJPTWQEYSA-N 1 3 240.347 1.189 20 0 BDADHO Nc1cc(F)cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000873290107 590022977 /nfs/dbraw/zinc/02/29/77/590022977.db2.gz OCGAIZVAZZFWEP-DGCLKSJQSA-N 1 3 237.322 1.767 20 0 BDADHO C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN)c2)C[NH2+]1 ZINC000877052207 590274976 /nfs/dbraw/zinc/27/49/76/590274976.db2.gz QGHHCRZUFLRLRG-ZWNOBZJWSA-N 1 3 247.342 1.016 20 0 BDADHO CCNCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133453 590290893 /nfs/dbraw/zinc/29/08/93/590290893.db2.gz BJHBWRKHHVSAIL-NWDGAFQWSA-N 1 3 233.315 1.049 20 0 BDADHO CCN[C@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138466 590291726 /nfs/dbraw/zinc/29/17/26/590291726.db2.gz JDLOEDORLDXMNZ-JIMOISOXSA-N 1 3 247.342 1.438 20 0 BDADHO CC(C)C[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877445616 590329166 /nfs/dbraw/zinc/32/91/66/590329166.db2.gz UYZCUGSUQIYDBY-LBPRGKRZSA-N 1 3 243.395 1.337 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CC3(C)CC3)CC[C@H]21 ZINC000877738229 590404332 /nfs/dbraw/zinc/40/43/32/590404332.db2.gz ASHHRMGHGYPETP-VXGBXAGGSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CC3(C)CC3)CC[C@H]21 ZINC000877738229 590404336 /nfs/dbraw/zinc/40/43/36/590404336.db2.gz ASHHRMGHGYPETP-VXGBXAGGSA-N 1 3 208.349 1.813 20 0 BDADHO C=C/C=C/CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865978 590634812 /nfs/dbraw/zinc/63/48/12/590634812.db2.gz OSXLYAWUFTWRAE-GJBLVYBDSA-N 1 3 238.375 1.507 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1)OC ZINC000879581297 590802119 /nfs/dbraw/zinc/80/21/19/590802119.db2.gz XULYMWANUNYLQU-YNEHKIRRSA-N 1 3 226.364 1.437 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1)OC ZINC000879581297 590802120 /nfs/dbraw/zinc/80/21/20/590802120.db2.gz XULYMWANUNYLQU-YNEHKIRRSA-N 1 3 226.364 1.437 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CC3(O)CCCC3)CC[C@H]21 ZINC000879573335 590811446 /nfs/dbraw/zinc/81/14/46/590811446.db2.gz NSZRPQUCIBEIKW-CHWSQXEVSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CC3(O)CCCC3)CC[C@H]21 ZINC000879573335 590811449 /nfs/dbraw/zinc/81/14/49/590811449.db2.gz NSZRPQUCIBEIKW-CHWSQXEVSA-N 1 3 238.375 1.318 20 0 BDADHO CC(C)OCCCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880129841 590932173 /nfs/dbraw/zinc/93/21/73/590932173.db2.gz BGDBXKBUETWIRD-ZIAGYGMSSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)OCCCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880129841 590932175 /nfs/dbraw/zinc/93/21/75/590932175.db2.gz BGDBXKBUETWIRD-ZIAGYGMSSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@H](C)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260025 590979778 /nfs/dbraw/zinc/97/97/78/590979778.db2.gz MJQUFRYTHVBLOG-CHWSQXEVSA-N 1 3 249.358 1.627 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](CF)C1 ZINC000880297216 590991111 /nfs/dbraw/zinc/99/11/11/590991111.db2.gz KXMIQQDFWBVRRX-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](CF)C1 ZINC000880297216 590991113 /nfs/dbraw/zinc/99/11/13/590991113.db2.gz KXMIQQDFWBVRRX-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](CF)C1 ZINC000880297219 590991225 /nfs/dbraw/zinc/99/12/25/590991225.db2.gz KXMIQQDFWBVRRX-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](CF)C1 ZINC000880297219 590991228 /nfs/dbraw/zinc/99/12/28/590991228.db2.gz KXMIQQDFWBVRRX-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@H+](CC[C@@H]1CCCC1(F)F)C[C@@H](O)CN ZINC000883430106 591661371 /nfs/dbraw/zinc/66/13/71/591661371.db2.gz NHOZWILPWWWEAR-UWVGGRQHSA-N 1 3 236.306 1.063 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@@H](O)CN ZINC000883430106 591661373 /nfs/dbraw/zinc/66/13/73/591661373.db2.gz NHOZWILPWWWEAR-UWVGGRQHSA-N 1 3 236.306 1.063 20 0 BDADHO CN(CC[C@@H]1CCCC1(F)F)C[C@@H](O)C[NH3+] ZINC000883430106 591661376 /nfs/dbraw/zinc/66/13/76/591661376.db2.gz NHOZWILPWWWEAR-UWVGGRQHSA-N 1 3 236.306 1.063 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCC2(CCC2)O1 ZINC000883434159 591663690 /nfs/dbraw/zinc/66/36/90/591663690.db2.gz IOZMATXKECZODW-JHJVBQTASA-N 1 3 238.375 1.948 20 0 BDADHO Nc1cccc(C[N@@H+]2CCNCCC23CCC3)c1 ZINC000883458913 591673735 /nfs/dbraw/zinc/67/37/35/591673735.db2.gz BDXJRACVEYNBFU-UHFFFAOYSA-N 1 3 245.370 1.987 20 0 BDADHO Nc1cccc(C[N@H+]2CCNCCC23CCC3)c1 ZINC000883458913 591673737 /nfs/dbraw/zinc/67/37/37/591673737.db2.gz BDXJRACVEYNBFU-UHFFFAOYSA-N 1 3 245.370 1.987 20 0 BDADHO CC1(C)Nc2ccccc2[C@H]1NCCOCC[NH3+] ZINC000883464099 591675595 /nfs/dbraw/zinc/67/55/95/591675595.db2.gz FOORSHVNHBEMNC-CYBMUJFWSA-N 1 3 249.358 1.497 20 0 BDADHO C[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)N(C)C ZINC000132033163 591684545 /nfs/dbraw/zinc/68/45/45/591684545.db2.gz MSRNGOLBJHWBGG-SWHYSGLUSA-N 1 3 233.359 1.671 20 0 BDADHO CCC1(N2CCC2)CC[NH+](CCCOC)CC1 ZINC000886709152 592308762 /nfs/dbraw/zinc/30/87/62/592308762.db2.gz LNILVPUVGSAUMO-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO C1CSC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000220672260 592321744 /nfs/dbraw/zinc/32/17/44/592321744.db2.gz KAAREGDEPKFPJD-GHMZBOCLSA-N 1 3 214.378 1.614 20 0 BDADHO C1CSC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000220672260 592321746 /nfs/dbraw/zinc/32/17/46/592321746.db2.gz KAAREGDEPKFPJD-GHMZBOCLSA-N 1 3 214.378 1.614 20 0 BDADHO CC1([NH3+])CCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000886834812 592357200 /nfs/dbraw/zinc/35/72/00/592357200.db2.gz CZUHZJVBUHJGJU-YPMHNXCESA-N 1 3 224.348 1.226 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1CN ZINC000886840345 592360145 /nfs/dbraw/zinc/36/01/45/592360145.db2.gz ZMGWDPQWFMAMKV-YIYPIFLZSA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1CN ZINC000886840345 592360148 /nfs/dbraw/zinc/36/01/48/592360148.db2.gz ZMGWDPQWFMAMKV-YIYPIFLZSA-N 1 3 238.375 1.330 20 0 BDADHO COCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867512 592375966 /nfs/dbraw/zinc/37/59/66/592375966.db2.gz GZQCHEINZCUZBU-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO COC[C@H](C)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872479 592377824 /nfs/dbraw/zinc/37/78/24/592377824.db2.gz SYQZLIMOVJOACB-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO COCC[C@H](C)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872232 592377877 /nfs/dbraw/zinc/37/78/77/592377877.db2.gz NDRCXIIROMPVGA-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC1(C)CCCN1CCNC(=[NH2+])NCC(F)F ZINC000887361841 592491332 /nfs/dbraw/zinc/49/13/32/592491332.db2.gz LBPHTEGPQKGCSG-UHFFFAOYSA-N 1 3 248.321 1.240 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000300386902 592510378 /nfs/dbraw/zinc/51/03/78/592510378.db2.gz MALQGEAISUPWEJ-NNYUYHANSA-N 1 3 228.405 1.988 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)CC(C)C)CC1 ZINC000222936141 592511200 /nfs/dbraw/zinc/51/12/00/592511200.db2.gz FTIXRRWKTOPEBW-CQSZACIVSA-N 1 3 242.407 1.857 20 0 BDADHO CSC1(C[NH2+][C@H]2C[C@@H](N)C2)CCC1 ZINC001579365739 985858654 /nfs/dbraw/zinc/85/86/54/985858654.db2.gz UCNVWIHOFKBCGA-DTORHVGOSA-N 1 3 200.351 1.351 20 0 BDADHO CSC1(CN[C@H]2C[C@@H]([NH3+])C2)CCC1 ZINC001579365739 985858656 /nfs/dbraw/zinc/85/86/56/985858656.db2.gz UCNVWIHOFKBCGA-DTORHVGOSA-N 1 3 200.351 1.351 20 0 BDADHO CCC[N@@H+](CCOC)[C@H]1CCN[C@H](C)C1 ZINC001246530922 987885502 /nfs/dbraw/zinc/88/55/02/987885502.db2.gz QKQLHFKBUFGZPQ-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO CCCN(CCOC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246530922 987885506 /nfs/dbraw/zinc/88/55/06/987885506.db2.gz QKQLHFKBUFGZPQ-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925717380 634452740 /nfs/dbraw/zinc/45/27/40/634452740.db2.gz GARFFODFJRYBBY-QSLWVIQJSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C)C1 ZINC000093516017 634559980 /nfs/dbraw/zinc/55/99/80/634559980.db2.gz CZBHCOBYFQXUSM-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO C1=C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925732233 634570354 /nfs/dbraw/zinc/57/03/54/634570354.db2.gz PDNCZBQZRILBGK-VXGBXAGGSA-N 1 3 206.333 1.827 20 0 BDADHO C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)O1 ZINC000925841806 635505730 /nfs/dbraw/zinc/50/57/30/635505730.db2.gz SWPHYNABLDVINQ-MBJXGIAVSA-N 1 3 238.375 1.674 20 0 BDADHO CCO[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233781704 635543053 /nfs/dbraw/zinc/54/30/53/635543053.db2.gz HAGJFAPKIIXKGO-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO Cc1ccc(NCCN[C@H]2CCC[NH2+]CC2)nc1 ZINC000925877684 635601664 /nfs/dbraw/zinc/60/16/64/635601664.db2.gz LZGSXDOSGXRNRM-ZDUSSCGKSA-N 1 3 248.374 1.534 20 0 BDADHO C1=CCCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925881033 635607907 /nfs/dbraw/zinc/60/79/07/635607907.db2.gz QASCHEYNDKAWKU-CYBMUJFWSA-N 1 3 224.348 1.311 20 0 BDADHO C[C@@H](c1ccccc1)N1CCN(CCC[NH3+])CC1 ZINC000078626733 631344481 /nfs/dbraw/zinc/34/44/81/631344481.db2.gz MNSGBXAKNDLFPR-AWEZNQCLSA-N 1 3 247.386 1.714 20 0 BDADHO [NH3+]C1(CNCCc2cccs2)CCC1 ZINC000309004720 631798929 /nfs/dbraw/zinc/79/89/29/631798929.db2.gz PIZANTGTJBKSJY-UHFFFAOYSA-N 1 3 210.346 1.762 20 0 BDADHO CC[C@@H](C)CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056708 631833117 /nfs/dbraw/zinc/83/31/17/631833117.db2.gz ZMYCQXJMJYRZQZ-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227541437 632429318 /nfs/dbraw/zinc/42/93/18/632429318.db2.gz KFRXGCVVRHRXAS-MCIONIFRSA-N 1 3 234.343 1.882 20 0 BDADHO CC(=O)OC[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000892461961 632731541 /nfs/dbraw/zinc/73/15/41/632731541.db2.gz LLIUETIKNVKYGA-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000235438751 632735916 /nfs/dbraw/zinc/73/59/16/632735916.db2.gz PCDQAZNZUQFFBE-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000235438751 632735922 /nfs/dbraw/zinc/73/59/22/632735922.db2.gz PCDQAZNZUQFFBE-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]C2CCC([NH3+])CC2)n1 ZINC000091995274 632772576 /nfs/dbraw/zinc/77/25/76/632772576.db2.gz XSNZWQLEGWXURT-UHFFFAOYSA-N 1 3 235.331 1.455 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328564648 633775577 /nfs/dbraw/zinc/77/55/77/633775577.db2.gz KRMAPPCQACORNU-AAOYHXPRSA-N 1 3 206.333 1.228 20 0 BDADHO CO[C@@H](C)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925565671 634058996 /nfs/dbraw/zinc/05/89/96/634058996.db2.gz WAJYKJMAFGESQB-QNWHQSFQSA-N 1 3 240.391 1.778 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616232 634161330 /nfs/dbraw/zinc/16/13/30/634161330.db2.gz LLCUSLYVGIRMFA-KGLIPLIRSA-N 1 3 246.354 1.794 20 0 BDADHO OC[C@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925617193 634165566 /nfs/dbraw/zinc/16/55/66/634165566.db2.gz VUJOJSWPPTVNAQ-AVGNSLFASA-N 1 3 238.375 1.412 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)n[nH]1 ZINC000925617676 634165622 /nfs/dbraw/zinc/16/56/22/634165622.db2.gz DXDHQFXQCIBDGY-NDMJEZRESA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)[nH]n1 ZINC000925617676 634165629 /nfs/dbraw/zinc/16/56/29/634165629.db2.gz DXDHQFXQCIBDGY-NDMJEZRESA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCN[C@@H]2C)[nH]n1 ZINC000925617676 634165634 /nfs/dbraw/zinc/16/56/34/634165634.db2.gz DXDHQFXQCIBDGY-NDMJEZRESA-N 1 3 236.363 1.379 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925645023 634198427 /nfs/dbraw/zinc/19/84/27/634198427.db2.gz OYFNWXMBSCAGOF-NNYUYHANSA-N 1 3 224.348 1.149 20 0 BDADHO CC1(C)[C@H](O)C[C@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647531 634203928 /nfs/dbraw/zinc/20/39/28/634203928.db2.gz ZMPBHEYYNVTNIR-WRWGMCAJSA-N 1 3 240.391 1.641 20 0 BDADHO Cc1nccnc1CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925677722 634271739 /nfs/dbraw/zinc/27/17/39/634271739.db2.gz ZLPJSRAKIFABRM-QWHCGFSZSA-N 1 3 246.358 1.187 20 0 BDADHO COCC[C@H](C)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925686900 634299423 /nfs/dbraw/zinc/29/94/23/634299423.db2.gz XKPMUBHPGKYTIT-BSCCGWMCSA-N 1 3 238.375 1.245 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925699632 634369060 /nfs/dbraw/zinc/36/90/60/634369060.db2.gz LJTZWHLLBDHZKI-XJFOESAGSA-N 1 3 240.391 1.779 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925701440 634375204 /nfs/dbraw/zinc/37/52/04/634375204.db2.gz ZMGAMRMLHGZKHK-YVECIDJPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1ncc[nH]1 ZINC000925796487 635334608 /nfs/dbraw/zinc/33/46/08/635334608.db2.gz RKNHXKZRAKRPPF-GMTAPVOTSA-N 1 3 222.336 1.306 20 0 BDADHO CCOCCOCCNC1CC[NH+](CC)CC1 ZINC000927090096 637027847 /nfs/dbraw/zinc/02/78/47/637027847.db2.gz MOJWPMNSZFNVQL-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO CCc1noc([C@H]2CC[C@@H]([NH2+]CCCN)C2)n1 ZINC000904428123 637398008 /nfs/dbraw/zinc/39/80/08/637398008.db2.gz DPASUTVFBBINRI-VHSXEESVSA-N 1 3 238.335 1.207 20 0 BDADHO CN[C@@H](CC(C)C)c1nc(C2([NH3+])CCC2)no1 ZINC000905305721 637764813 /nfs/dbraw/zinc/76/48/13/637764813.db2.gz YHDYYDGMIGDPGU-VIFPVBQESA-N 1 3 238.335 1.714 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712740 639739206 /nfs/dbraw/zinc/73/92/06/639739206.db2.gz DCAWRLADWIGDDR-QJPTWQEYSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911831625 639842642 /nfs/dbraw/zinc/84/26/42/639842642.db2.gz LWIAPPFGFHEDIA-LOWVWBTDSA-N 1 3 243.395 1.240 20 0 BDADHO CCOCCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931310988 640147840 /nfs/dbraw/zinc/14/78/40/640147840.db2.gz NEILWTZPHGLHCV-OKILXGFUSA-N 1 3 240.391 1.687 20 0 BDADHO CCOCCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931310988 640147846 /nfs/dbraw/zinc/14/78/46/640147846.db2.gz NEILWTZPHGLHCV-OKILXGFUSA-N 1 3 240.391 1.687 20 0 BDADHO CC[C@@H](CO)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931685067 640315648 /nfs/dbraw/zinc/31/56/48/640315648.db2.gz YICZWJQSWCUVPH-STQMWFEESA-N 1 3 249.358 1.363 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157452462 640686347 /nfs/dbraw/zinc/68/63/47/640686347.db2.gz SSZWOUTVAVIEGE-MJBXVCDLSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157452462 640686349 /nfs/dbraw/zinc/68/63/49/640686349.db2.gz SSZWOUTVAVIEGE-MJBXVCDLSA-N 1 3 236.359 1.896 20 0 BDADHO C[C@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227536208 640839151 /nfs/dbraw/zinc/83/91/51/640839151.db2.gz USSFRRDPOWPLCP-XXILOJSOSA-N 1 3 206.289 1.102 20 0 BDADHO C[C@@H](C[NH2+]C1CC(N)C1)c1ccccc1 ZINC000087651225 640957669 /nfs/dbraw/zinc/95/76/69/640957669.db2.gz BZQALMTUINOYSR-PKSQDBQZSA-N 1 3 204.317 1.869 20 0 BDADHO C[C@@H](CNC1CC([NH3+])C1)c1ccccc1 ZINC000087651225 640957675 /nfs/dbraw/zinc/95/76/75/640957675.db2.gz BZQALMTUINOYSR-PKSQDBQZSA-N 1 3 204.317 1.869 20 0 BDADHO CN(C[C@H](O)CC(F)(F)F)CC(C)(C)C[NH3+] ZINC000307936217 641194129 /nfs/dbraw/zinc/19/41/29/641194129.db2.gz IIFOFLCUPBCUEO-MRVPVSSYSA-N 1 3 242.285 1.216 20 0 BDADHO CC[C@@H](CO)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929695176 641401398 /nfs/dbraw/zinc/40/13/98/641401398.db2.gz GDJHPRSMYIERGH-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CCN1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000047892522 641665554 /nfs/dbraw/zinc/66/55/54/641665554.db2.gz LRCAZIIMIUJDPY-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO CSCC[C@@H](C)[NH2+]C1CCNCC1 ZINC000228880124 641747650 /nfs/dbraw/zinc/74/76/50/641747650.db2.gz UKOHTFXIXXPIFJ-SECBINFHSA-N 1 3 202.367 1.470 20 0 BDADHO CC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCOCC1 ZINC000233020406 642642942 /nfs/dbraw/zinc/64/29/42/642642942.db2.gz RESQARMMQDRHCN-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO CC[C@H]1COCCN1CCCCCC[NH3+] ZINC000036326935 643144564 /nfs/dbraw/zinc/14/45/64/643144564.db2.gz PGCKYAUQVISMQK-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO C[C@@H]1CO[C@@H](C)CN1CCCCCC[NH3+] ZINC000035787495 643252589 /nfs/dbraw/zinc/25/25/89/643252589.db2.gz ZNXHJOOTSDQJRU-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCCCCCO)C1 ZINC000175778432 643295175 /nfs/dbraw/zinc/29/51/75/643295175.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000175778432 643295179 /nfs/dbraw/zinc/29/51/79/643295179.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCCCCCO)C1 ZINC000175778432 643295183 /nfs/dbraw/zinc/29/51/83/643295183.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCCCO)C1 ZINC000175778432 643295186 /nfs/dbraw/zinc/29/51/86/643295186.db2.gz XJFACZQKOALODH-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CC1([NH+]2CCC2)CCC(NCc2cc[nH]n2)CC1 ZINC000922847643 644118992 /nfs/dbraw/zinc/11/89/92/644118992.db2.gz VHMWDRVESDOEGU-UHFFFAOYSA-N 1 3 248.374 1.906 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923287387 644319784 /nfs/dbraw/zinc/31/97/84/644319784.db2.gz DROOUVPBZRZJJV-AVGNSLFASA-N 1 3 228.380 1.453 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)Cc2ccccc21 ZINC000923299605 644325607 /nfs/dbraw/zinc/32/56/07/644325607.db2.gz XCGFVLPWHCCNAH-WCUVEOEZSA-N 1 3 246.354 1.456 20 0 BDADHO CC(C)CC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923356774 644375607 /nfs/dbraw/zinc/37/56/07/644375607.db2.gz ULHGJWLONJUHDK-OLZOCXBDSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)c1cccc(CNC(CN)C[NH3+])c1 ZINC000923359894 644384050 /nfs/dbraw/zinc/38/40/50/644384050.db2.gz WDAKLLCLWKTCII-UHFFFAOYSA-N 1 3 221.348 1.186 20 0 BDADHO CSC[C@@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923374196 644388813 /nfs/dbraw/zinc/38/88/13/644388813.db2.gz SBAXAHLMHUEANV-NWDGAFQWSA-N 1 3 246.420 1.208 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H](O)CC(F)(F)F ZINC000923382560 644393828 /nfs/dbraw/zinc/39/38/28/644393828.db2.gz CWQKCADCOGCKBN-IWSPIJDZSA-N 1 3 240.269 1.159 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H](O)Cc1ccccc1 ZINC000923393294 644402216 /nfs/dbraw/zinc/40/22/16/644402216.db2.gz OBIGSSRMDYBPJQ-YUELXQCFSA-N 1 3 248.370 1.402 20 0 BDADHO Cc1ccc(C)c(CN2CCNCC[NH2+]CC2)c1 ZINC000923466449 644444543 /nfs/dbraw/zinc/44/45/43/644444543.db2.gz NTYRUCZONUWWAF-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO CCc1ccccc1CN1CCNCC[NH2+]CC1 ZINC000923460860 644447545 /nfs/dbraw/zinc/44/75/45/644447545.db2.gz XAKNOHTVBIQPDC-UHFFFAOYSA-N 1 3 247.386 1.244 20 0 BDADHO C[C@H]1CN(Cc2cc(C3CC3)no2)CC[C@H]1C[NH3+] ZINC000923489402 644464587 /nfs/dbraw/zinc/46/45/87/644464587.db2.gz JNROOINFZBCKNR-JQWIXIFHSA-N 1 3 249.358 1.969 20 0 BDADHO Cc1cnc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923500855 644473273 /nfs/dbraw/zinc/47/32/73/644473273.db2.gz PPXJUXGMZIOESH-CMPLNLGQSA-N 1 3 234.347 1.202 20 0 BDADHO COc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149832 644535743 /nfs/dbraw/zinc/53/57/43/644535743.db2.gz QUBQNRYGLJNKQD-TZMCWYRMSA-N 1 3 234.343 1.912 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093213264 644682555 /nfs/dbraw/zinc/68/25/55/644682555.db2.gz OLFCCVGRNYYJCG-LOWVWBTDSA-N 1 3 248.374 1.657 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250457343 644759490 /nfs/dbraw/zinc/75/94/90/644759490.db2.gz IZLQCRPEUYXUOL-ZOBORPQBSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250457343 644759494 /nfs/dbraw/zinc/75/94/94/644759494.db2.gz IZLQCRPEUYXUOL-ZOBORPQBSA-N 1 3 238.375 1.770 20 0 BDADHO CN1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646973 644773676 /nfs/dbraw/zinc/77/36/76/644773676.db2.gz VOVQYJIHGROAPL-REWJHTLYSA-N 1 3 237.391 1.201 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000250888010 644785545 /nfs/dbraw/zinc/78/55/45/644785545.db2.gz WWNBESDDZQMXLS-MELADBBJSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000250888010 644785560 /nfs/dbraw/zinc/78/55/60/644785560.db2.gz WWNBESDDZQMXLS-MELADBBJSA-N 1 3 236.359 1.896 20 0 BDADHO CC[C@@H]1COCCN1CC[C@H]1CCC[NH2+]C1 ZINC000251873814 644828008 /nfs/dbraw/zinc/82/80/08/644828008.db2.gz UPYOKBKEEKUOLW-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@H](C)C1 ZINC000252709386 644888617 /nfs/dbraw/zinc/88/86/17/644888617.db2.gz CTSPHQPWKALSII-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO CC(C)OCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252834053 644913729 /nfs/dbraw/zinc/91/37/29/644913729.db2.gz QDYZAWZNAVAKBX-MGPQQGTHSA-N 1 3 240.391 1.922 20 0 BDADHO CCNCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227033 645276279 /nfs/dbraw/zinc/27/62/79/645276279.db2.gz PQULOKUBPWVODE-UHFFFAOYSA-N 1 3 243.270 1.494 20 0 BDADHO COCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925494191 645732194 /nfs/dbraw/zinc/73/21/94/645732194.db2.gz IZABAMKFXIHEMT-UONOGXRCSA-N 1 3 240.391 1.781 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cccnc1 ZINC000924632224 646082175 /nfs/dbraw/zinc/08/21/75/646082175.db2.gz BWUNWIBMSQDYLX-YIONKMFJSA-N 1 3 245.370 1.554 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccnnc1 ZINC000924648598 646087458 /nfs/dbraw/zinc/08/74/58/646087458.db2.gz MFVAUZWVLVHGHH-VXGBXAGGSA-N 1 3 246.358 1.612 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C(C)(C)CO)C1 ZINC000924755830 646103001 /nfs/dbraw/zinc/10/30/01/646103001.db2.gz XKCSKRVWFZTUCZ-QWHCGFSZSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925482119 646294771 /nfs/dbraw/zinc/29/47/71/646294771.db2.gz LFMXJOLOYSMHDI-WHOHXGKFSA-N 1 3 226.364 1.253 20 0 BDADHO CCC1CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925487630 646296276 /nfs/dbraw/zinc/29/62/76/646296276.db2.gz MVENIBXHGTWXOW-RUXDESIVSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]1CCCN(CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925548494 646327717 /nfs/dbraw/zinc/32/77/17/646327717.db2.gz CITWUOKPZTVIDN-STQMWFEESA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925550841 646329382 /nfs/dbraw/zinc/32/93/82/646329382.db2.gz DJTQVXPLFCNYQI-YXCITZCRSA-N 1 3 249.402 1.329 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000925584276 646345814 /nfs/dbraw/zinc/34/58/14/646345814.db2.gz KHJPQOTYFNFSLG-CMPLNLGQSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)[C@@H](O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925621239 646368291 /nfs/dbraw/zinc/36/82/91/646368291.db2.gz ZTTSVANMJRFUJT-VOAKCMCISA-N 1 3 240.391 1.370 20 0 BDADHO CC(C)[C@@H](O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925621239 646368294 /nfs/dbraw/zinc/36/82/94/646368294.db2.gz ZTTSVANMJRFUJT-VOAKCMCISA-N 1 3 240.391 1.370 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCNC12CCC2 ZINC000925630049 646373552 /nfs/dbraw/zinc/37/35/52/646373552.db2.gz PYDWSHOPJKOGHM-RYUDHWBXSA-N 1 3 226.364 1.269 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCOCC2CCC2)C12CCC2 ZINC000925639710 646382152 /nfs/dbraw/zinc/38/21/52/646382152.db2.gz MWRMYYPQXJVJAH-QWHCGFSZSA-N 1 3 238.375 1.663 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCOCC2CCC2)C12CCC2 ZINC000925639709 646382189 /nfs/dbraw/zinc/38/21/89/646382189.db2.gz MWRMYYPQXJVJAH-OLZOCXBDSA-N 1 3 238.375 1.663 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCO[C@H](C2CC2)C1 ZINC000925641445 646382934 /nfs/dbraw/zinc/38/29/34/646382934.db2.gz YCQMYOUUCDOYKT-PYJNHQTQSA-N 1 3 238.375 1.674 20 0 BDADHO c1nc2c([nH]1)C[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000925668934 646399785 /nfs/dbraw/zinc/39/97/85/646399785.db2.gz MHWSARBFNNNVDE-GXFFZTMASA-N 1 3 246.358 1.141 20 0 BDADHO c1nc2c([nH]1)CC[C@H](N[C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925668934 646399790 /nfs/dbraw/zinc/39/97/90/646399790.db2.gz MHWSARBFNNNVDE-GXFFZTMASA-N 1 3 246.358 1.141 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925670547 646400543 /nfs/dbraw/zinc/40/05/43/646400543.db2.gz LXNGXPSMGPSITR-UPJWGTAASA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCNC12CCC2 ZINC000925677790 646407315 /nfs/dbraw/zinc/40/73/15/646407315.db2.gz AVMFAIAWKIZSFU-RYUDHWBXSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000925678921 646407366 /nfs/dbraw/zinc/40/73/66/646407366.db2.gz AWWZANVYOIMZMF-CCBLYANNSA-N 1 3 206.333 1.371 20 0 BDADHO C(C[NH2+][C@H]1CCNC12CCC2)C[C@H]1CCOC1 ZINC000925687227 646412333 /nfs/dbraw/zinc/41/23/33/646412333.db2.gz GLIYOLTXSURJQB-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO C1[C@@H]2[C@H]1CCC[C@@H]2N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925687001 646412763 /nfs/dbraw/zinc/41/27/63/646412763.db2.gz YJPYBZRQASGGJS-LHFWTCQCSA-N 1 3 232.371 1.761 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCC[C@@H]1O ZINC000925688109 646414523 /nfs/dbraw/zinc/41/45/23/646414523.db2.gz CZYHGRIWPOWXIY-LOWDOPEQSA-N 1 3 226.364 1.268 20 0 BDADHO CNC(=O)C[C@H](C)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690410 646415789 /nfs/dbraw/zinc/41/57/89/646415789.db2.gz VEQIMPZIWSHKGB-GARJFASQSA-N 1 3 241.379 1.007 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925691710 646418594 /nfs/dbraw/zinc/41/85/94/646418594.db2.gz IOSKBTZDDZYBLG-WHOHXGKFSA-N 1 3 224.348 1.413 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2C[C@H](N)C23CCC3)n1 ZINC000925705940 646430326 /nfs/dbraw/zinc/43/03/26/646430326.db2.gz JCELPVSRLWFSRU-QWHCGFSZSA-N 1 3 246.358 1.187 20 0 BDADHO C[C@H](CN[C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925716438 646441427 /nfs/dbraw/zinc/44/14/27/646441427.db2.gz QQUYIGUTBCOWFR-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO C1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CN1 ZINC000925717864 646442262 /nfs/dbraw/zinc/44/22/62/646442262.db2.gz IKDLSDAPGWVDFN-WUHRBBMRSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H]([NH2+]CC(C)(C)CC(F)F)C1CNC1 ZINC000925733044 646456657 /nfs/dbraw/zinc/45/66/57/646456657.db2.gz FJISOADSACXTBP-QMMMGPOBSA-N 1 3 220.307 1.865 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCC[C@H]1CCCO1 ZINC000925775287 646475682 /nfs/dbraw/zinc/47/56/82/646475682.db2.gz PGDFWGAINMCOBV-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO CCC[C@@H](O)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925855363 646509406 /nfs/dbraw/zinc/50/94/06/646509406.db2.gz GYTSACVZSVHLEZ-ZGVCCVRISA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846080 646509412 /nfs/dbraw/zinc/50/94/12/646509412.db2.gz OCJKJNBOVWUEGU-WUHRBBMRSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H]1OCC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846078 646509898 /nfs/dbraw/zinc/50/98/98/646509898.db2.gz OCJKJNBOVWUEGU-FDYHWXHSSA-N 1 3 224.348 1.286 20 0 BDADHO Cc1ccc(NCCN[C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925877046 646527719 /nfs/dbraw/zinc/52/77/19/646527719.db2.gz DNKGVHCNNKYVMA-QWHCGFSZSA-N 1 3 248.374 1.519 20 0 BDADHO C[C@H]1COC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000926337985 646618842 /nfs/dbraw/zinc/61/88/42/646618842.db2.gz UUPKGQZVAVAIHC-ABXWRUBCSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](C[NH2+][C@H](C)c1cc[nH]c(=O)c1)CN(C)C ZINC000926475788 646654079 /nfs/dbraw/zinc/65/40/79/646654079.db2.gz WYARVTMCCIPXPJ-GHMZBOCLSA-N 1 3 237.347 1.636 20 0 BDADHO C[C@H](CN[C@H](C)c1cc[nH]c(=O)c1)C[NH+](C)C ZINC000926475788 646654083 /nfs/dbraw/zinc/65/40/83/646654083.db2.gz WYARVTMCCIPXPJ-GHMZBOCLSA-N 1 3 237.347 1.636 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CCO[C@H](C)C1)N(C)C ZINC000700421938 711993043 /nfs/dbraw/zinc/99/30/43/711993043.db2.gz HMOZGDLSJXWKKL-UTUOFQBUSA-N 1 3 214.353 1.484 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704813536 712118183 /nfs/dbraw/zinc/11/81/83/712118183.db2.gz IIEMOSUYGYBFKN-SDDRHHMPSA-N 1 3 228.405 1.847 20 0 BDADHO CN(C)C1(C)CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000709776355 712225231 /nfs/dbraw/zinc/22/52/31/712225231.db2.gz SJPRPNGWSIBXEI-LBPRGKRZSA-N 1 3 242.407 1.810 20 0 BDADHO CN(CCCCCC[NH3+])C[C@H](O)C(F)(F)F ZINC000710705108 712254812 /nfs/dbraw/zinc/25/48/12/712254812.db2.gz HZXXMIVGFSAXIW-VIFPVBQESA-N 1 3 242.285 1.361 20 0 BDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCOC1CC1 ZINC000714970937 712502922 /nfs/dbraw/zinc/50/29/22/712502922.db2.gz PZOSRGOUUMMCLU-YOGCLGLASA-N 1 3 224.348 1.510 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)CO1 ZINC000715554632 712528333 /nfs/dbraw/zinc/52/83/33/712528333.db2.gz WTKDAKNQHCFVLM-VOAKCMCISA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CO1 ZINC000715554632 712528335 /nfs/dbraw/zinc/52/83/35/712528335.db2.gz WTKDAKNQHCFVLM-VOAKCMCISA-N 1 3 226.364 1.626 20 0 BDADHO CC1(C)CO[C@@H](CN[C@@H]2CC[NH2+]CC2(C)C)C1 ZINC000717318091 712646711 /nfs/dbraw/zinc/64/67/11/712646711.db2.gz NMTLTXPDYZUNEM-VXGBXAGGSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)CO[C@@H](C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000717318091 712646712 /nfs/dbraw/zinc/64/67/12/712646712.db2.gz NMTLTXPDYZUNEM-VXGBXAGGSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H]2CCN(C)[C@H]2C)CC1 ZINC000719649982 712820812 /nfs/dbraw/zinc/82/08/12/712820812.db2.gz WKSJGIMEMSQEHL-GXTWGEPZSA-N 1 3 239.407 1.541 20 0 BDADHO CC[C@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)CC[C@H]1N ZINC000721910751 710689436 /nfs/dbraw/zinc/68/94/36/710689436.db2.gz YLSAMDBBCMMBOZ-WUHRBBMRSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)CC[C@H]1N ZINC000721910751 710689440 /nfs/dbraw/zinc/68/94/40/710689440.db2.gz YLSAMDBBCMMBOZ-WUHRBBMRSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1CN(C[C@H]2C[C@@H](OC)C2)CC[C@H]1[NH3+] ZINC000721910751 710689445 /nfs/dbraw/zinc/68/94/45/710689445.db2.gz YLSAMDBBCMMBOZ-WUHRBBMRSA-N 1 3 226.364 1.471 20 0 BDADHO COC[C@H](CN1C[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000721917001 710693092 /nfs/dbraw/zinc/69/30/92/710693092.db2.gz HDPRWQHSSZTKHC-SDDRHHMPSA-N 1 3 214.353 1.327 20 0 BDADHO CC[C@@H]1C[C@H]1CN1CCCO[C@H](C[NH3+])C1 ZINC000723102817 710726958 /nfs/dbraw/zinc/72/69/58/710726958.db2.gz NHVOPMQJZQCQSQ-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000396577474 710907920 /nfs/dbraw/zinc/90/79/20/710907920.db2.gz CZYHGRIWPOWXIY-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000382945708 710976423 /nfs/dbraw/zinc/97/64/23/710976423.db2.gz SCJCZKIDQQJNFZ-RDBSUJKOSA-N 1 3 240.391 1.421 20 0 BDADHO CC(F)(F)CCCN1CC[C@H](C[NH3+])C1 ZINC000390023059 711103981 /nfs/dbraw/zinc/10/39/81/711103981.db2.gz LPAXZYFSLGRFEB-SECBINFHSA-N 1 3 206.280 1.702 20 0 BDADHO CC(F)(F)CCCN1CC[C@@H](C[NH3+])C1 ZINC000390023127 711104364 /nfs/dbraw/zinc/10/43/64/711104364.db2.gz LPAXZYFSLGRFEB-VIFPVBQESA-N 1 3 206.280 1.702 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](CCO)C1CC1 ZINC000393775702 711173897 /nfs/dbraw/zinc/17/38/97/711173897.db2.gz KIXKAPUYEAXBSS-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CSC(C)(C)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396639634 711357826 /nfs/dbraw/zinc/35/78/26/711357826.db2.gz IKHSXEFJMRQDRI-UWVGGRQHSA-N 1 3 216.394 1.858 20 0 BDADHO C[N@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000398879134 711416104 /nfs/dbraw/zinc/41/61/04/711416104.db2.gz GSPFETAAMVEQQJ-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO C[N@@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000398879134 711416106 /nfs/dbraw/zinc/41/61/06/711416106.db2.gz GSPFETAAMVEQQJ-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000398879134 711416110 /nfs/dbraw/zinc/41/61/10/711416110.db2.gz GSPFETAAMVEQQJ-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CCCCOCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396638318 711362203 /nfs/dbraw/zinc/36/22/03/711362203.db2.gz LZUUOTHJXCEISR-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCOC(F)F ZINC000398128809 711401668 /nfs/dbraw/zinc/40/16/68/711401668.db2.gz IQORTGBKYPWSBY-QMMMGPOBSA-N 1 3 222.279 1.203 20 0 BDADHO C1CC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CCN1 ZINC000723648563 711530068 /nfs/dbraw/zinc/53/00/68/711530068.db2.gz VROGWZWZKJEUOG-MBNYWOFBSA-N 1 3 238.375 1.533 20 0 BDADHO CCC[C@@H](C(=O)OCC)N1CC[C@H](CC[NH3+])C1 ZINC000723711970 711535883 /nfs/dbraw/zinc/53/58/83/711535883.db2.gz BWEPGFUHDIDAEV-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO CC[C@H]([NH2+][C@H](C)C1CNC1)[C@@H]1CCCOC1 ZINC000724013346 711556021 /nfs/dbraw/zinc/55/60/21/711556021.db2.gz QETODOALOSGDEU-WZRBSPASSA-N 1 3 226.364 1.389 20 0 BDADHO CC1(C)[C@@H](NC[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925503002 711692880 /nfs/dbraw/zinc/69/28/80/711692880.db2.gz MJKVLGJZSSXZSG-RNJOBUHISA-N 1 3 238.375 1.532 20 0 BDADHO CN(C[C@@H]1CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000082545716 711716677 /nfs/dbraw/zinc/71/66/77/711716677.db2.gz KBAPCZLUZXITHJ-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C)c1ccnc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000925814300 711754803 /nfs/dbraw/zinc/75/48/03/711754803.db2.gz KFRWHDCPZXPVSK-NWDGAFQWSA-N 1 3 248.374 1.507 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CCCSC1)N(C)C ZINC000700490161 711994350 /nfs/dbraw/zinc/99/43/50/711994350.db2.gz YHTSFEPBMUQARA-GHMZBOCLSA-N 1 3 216.394 1.812 20 0 BDADHO C[C@H]1CN(C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708851949 712201619 /nfs/dbraw/zinc/20/16/19/712201619.db2.gz GMZYKURPMVGZOP-IACUBPJLSA-N 1 3 234.343 1.247 20 0 BDADHO CN(C)C1(C)CC[NH+](CCCCCCO)CC1 ZINC000709780329 712226857 /nfs/dbraw/zinc/22/68/57/712226857.db2.gz HVVAPVNVJNMCQE-UHFFFAOYSA-N 1 3 242.407 1.955 20 0 BDADHO C[C@H]1C[C@@H](NCCc2ccns2)CC[N@@H+]1C ZINC000709826015 712228741 /nfs/dbraw/zinc/22/87/41/712228741.db2.gz OSWSUXXEHZAVER-QWRGUYRKSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H]1C[C@@H](NCCc2ccns2)CC[N@H+]1C ZINC000709826015 712228743 /nfs/dbraw/zinc/22/87/43/712228743.db2.gz OSWSUXXEHZAVER-QWRGUYRKSA-N 1 3 239.388 1.758 20 0 BDADHO CCN1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712581730 712433407 /nfs/dbraw/zinc/43/34/07/712433407.db2.gz NSJVOPDBIAWRDN-HZSPNIEDSA-N 1 3 237.391 1.297 20 0 BDADHO CCN1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712581730 712433409 /nfs/dbraw/zinc/43/34/09/712433409.db2.gz NSJVOPDBIAWRDN-HZSPNIEDSA-N 1 3 237.391 1.297 20 0 BDADHO CCCN1CCC([NH2+]C[C@@H]2CCN2CC)CC1 ZINC000712584871 712434075 /nfs/dbraw/zinc/43/40/75/712434075.db2.gz CEZDBBPLLRRODM-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO C(CN1CC[NH2+]CCC12CCC2)[C@H]1CCCO1 ZINC000713219040 712455166 /nfs/dbraw/zinc/45/51/66/712455166.db2.gz XEEPRVLJJVERCB-CYBMUJFWSA-N 1 3 238.375 1.774 20 0 BDADHO CC1(C)CC[C@@H](CN2CCC[C@H](C[NH3+])C2)OC1 ZINC000713586208 712466425 /nfs/dbraw/zinc/46/64/25/712466425.db2.gz MEPMXBGKDQRULX-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO C=C/C=C\CCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000713751698 712471535 /nfs/dbraw/zinc/47/15/35/712471535.db2.gz ZXMXYLCVSNPBKW-NQHOJNORSA-N 1 3 235.375 1.098 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000715291466 712515859 /nfs/dbraw/zinc/51/58/59/712515859.db2.gz IJTUSWLADMRTCI-XQQFMLRXSA-N 1 3 226.364 1.220 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CC(C)(C)CO1 ZINC000717614026 712662549 /nfs/dbraw/zinc/66/25/49/712662549.db2.gz LCLSFRBJQFLHEE-AXFHLTTASA-N 1 3 226.364 1.517 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717614026 712662550 /nfs/dbraw/zinc/66/25/50/712662550.db2.gz LCLSFRBJQFLHEE-AXFHLTTASA-N 1 3 226.364 1.517 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222950050 712670520 /nfs/dbraw/zinc/67/05/20/712670520.db2.gz OLFCCVGRNYYJCG-WZRBSPASSA-N 1 3 248.374 1.657 20 0 BDADHO C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCN1C ZINC000719620162 712817422 /nfs/dbraw/zinc/81/74/22/712817422.db2.gz VEWMMZWNKFZYGI-RKFYDKJMSA-N 1 3 237.391 1.294 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720870797 712872270 /nfs/dbraw/zinc/87/22/70/712872270.db2.gz LPTZYMWRLUTZQS-ZOBORPQBSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720875887 712872722 /nfs/dbraw/zinc/87/27/22/712872722.db2.gz XYCXBTIIDFWRDX-ZSLBOAEBSA-N 1 3 238.375 1.613 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720875885 712873078 /nfs/dbraw/zinc/87/30/78/712873078.db2.gz XYCXBTIIDFWRDX-PDWCTOEPSA-N 1 3 238.375 1.613 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720873532 712873381 /nfs/dbraw/zinc/87/33/81/712873381.db2.gz QNLUBGZUGDVYCV-RFQIPJPRSA-N 1 3 238.375 1.615 20 0 BDADHO Cc1c[nH+]c(N2C[C@@H](C)N(C)C[C@H]2C)cc1N ZINC001164638104 719229697 /nfs/dbraw/zinc/22/96/97/719229697.db2.gz NFYUKROZCKPCQO-GHMZBOCLSA-N 1 3 234.347 1.501 20 0 BDADHO CC1(C)C[C@H](NC[C@@H]2CCC[NH2+]C2)CO1 ZINC000396511152 956897921 /nfs/dbraw/zinc/89/79/21/956897921.db2.gz XMPJXJIZPQHECS-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO CN(C)Cc1ccnc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001164418900 718896710 /nfs/dbraw/zinc/89/67/10/718896710.db2.gz GLUSXLLMFBFYGA-GXTWGEPZSA-N 1 3 246.358 1.071 20 0 BDADHO Cc1cnc(N2C[C@H](C)N(C)C[C@@H]2C)c(C[NH3+])c1 ZINC001164633416 719225324 /nfs/dbraw/zinc/22/53/24/719225324.db2.gz DLRKJXDEKNQHQC-RYUDHWBXSA-N 1 3 248.374 1.378 20 0 BDADHO C[C@H]1C[N@@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC000708876883 960011179 /nfs/dbraw/zinc/01/11/79/960011179.db2.gz YBFIBKKXXOYUNK-YYHQMBLXSA-N 1 3 226.364 1.469 20 0 BDADHO C[C@H]1C[N@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC000708876883 960011184 /nfs/dbraw/zinc/01/11/84/960011184.db2.gz YBFIBKKXXOYUNK-YYHQMBLXSA-N 1 3 226.364 1.469 20 0 BDADHO C[C@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709401422 960577897 /nfs/dbraw/zinc/57/78/97/960577897.db2.gz BYZIHMXGHNFORV-NXQJVVEESA-N 1 3 210.321 1.036 20 0 BDADHO Cc1cnc(N2CCC[C@H]([NH3+])[C@@H]2C)cc1N ZINC001157742930 963713331 /nfs/dbraw/zinc/71/33/31/963713331.db2.gz GIRYPBOAYLHLOP-UWVGGRQHSA-N 1 3 220.320 1.288 20 0 BDADHO C[C@H](CC[NH2+]CCCc1cnn(C)c1)N(C)C ZINC000697871139 964598263 /nfs/dbraw/zinc/59/82/63/964598263.db2.gz NWTDRGVCFDSQGA-GFCCVEGCSA-N 1 3 238.379 1.283 20 0 BDADHO C[C@@H](CCN[C@@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000697892051 964650983 /nfs/dbraw/zinc/65/09/83/964650983.db2.gz ZJQZVDWINFLJPI-SRVKXCTJSA-N 1 3 214.353 1.484 20 0 BDADHO C[NH+](C)CCCCNc1ccnc(CN)c1 ZINC001161731072 964714394 /nfs/dbraw/zinc/71/43/94/964714394.db2.gz ZONQASUGJWDWTH-UHFFFAOYSA-N 1 3 222.336 1.294 20 0 BDADHO CN1CCC[C@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224701126 964887292 /nfs/dbraw/zinc/88/72/92/964887292.db2.gz CZBUEFKQVDPKJK-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224701126 964887297 /nfs/dbraw/zinc/88/72/97/964887297.db2.gz CZBUEFKQVDPKJK-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H]1CCNCC[N@@H+]1Cc1cccc(N)c1 ZINC001205332571 967547870 /nfs/dbraw/zinc/54/78/70/967547870.db2.gz RZEONNDFKYGDPQ-NSHDSACASA-N 1 3 219.332 1.453 20 0 BDADHO C[C@H]1CCNCC[N@H+]1Cc1cccc(N)c1 ZINC001205332571 967547886 /nfs/dbraw/zinc/54/78/86/967547886.db2.gz RZEONNDFKYGDPQ-NSHDSACASA-N 1 3 219.332 1.453 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000697910330 968155709 /nfs/dbraw/zinc/15/57/09/968155709.db2.gz SUQWLCYSIBQAJU-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCOC2)C1 ZINC001206338261 968246477 /nfs/dbraw/zinc/24/64/77/968246477.db2.gz YSCLUJJCQKDUFZ-NWDGAFQWSA-N 1 3 230.327 1.176 20 0 BDADHO NC[C@H]1C[N@H+](CCC2CCCCC2)C[C@@H]1O ZINC001206506817 968342945 /nfs/dbraw/zinc/34/29/45/968342945.db2.gz RJTJSTNAFBGXFA-STQMWFEESA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1O ZINC001206506817 968342958 /nfs/dbraw/zinc/34/29/58/968342958.db2.gz RJTJSTNAFBGXFA-STQMWFEESA-N 1 3 226.364 1.208 20 0 BDADHO CCCC[C@H](O)C[N@H+](C)CCCN1CCCC1 ZINC001252090517 968512061 /nfs/dbraw/zinc/51/20/61/968512061.db2.gz LHJCSGGTTIEHDY-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCCC[C@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC001252090517 968512066 /nfs/dbraw/zinc/51/20/66/968512066.db2.gz LHJCSGGTTIEHDY-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCCOC1)CC2 ZINC001207471535 968781495 /nfs/dbraw/zinc/78/14/95/968781495.db2.gz PEFNMBKVIWISAO-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO CC[C@H]1COCCN1CCC1CC[NH+](C)CC1 ZINC001207486566 968798417 /nfs/dbraw/zinc/79/84/17/968798417.db2.gz KMXVXGCBYMZJDR-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)C[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404934 969158401 /nfs/dbraw/zinc/15/84/01/969158401.db2.gz KJGHZRHXLNJVPM-RYUDHWBXSA-N 1 3 230.396 1.760 20 0 BDADHO CC(C)C[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404934 969158410 /nfs/dbraw/zinc/15/84/10/969158410.db2.gz KJGHZRHXLNJVPM-RYUDHWBXSA-N 1 3 230.396 1.760 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CC=CC1 ZINC001253403855 969160482 /nfs/dbraw/zinc/16/04/82/969160482.db2.gz LLICUSNFYFGYSP-NSHDSACASA-N 1 3 212.337 1.044 20 0 BDADHO C[C@H]1COCCN(C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607907 969163010 /nfs/dbraw/zinc/16/30/10/969163010.db2.gz NUXNRRMEFDHZDV-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@H]1COCCN(C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607907 969163017 /nfs/dbraw/zinc/16/30/17/969163017.db2.gz NUXNRRMEFDHZDV-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO CCCN1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208608073 969167059 /nfs/dbraw/zinc/16/70/59/969167059.db2.gz FOMWXBHLKWYDJO-CQSZACIVSA-N 1 3 239.407 1.356 20 0 BDADHO CCCN1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208608073 969167066 /nfs/dbraw/zinc/16/70/66/969167066.db2.gz FOMWXBHLKWYDJO-CQSZACIVSA-N 1 3 239.407 1.356 20 0 BDADHO CCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169091675 969408845 /nfs/dbraw/zinc/40/88/45/969408845.db2.gz UNVFMZZTKPDVHH-CLLJXQQHSA-N 1 3 226.364 1.628 20 0 BDADHO CCCOCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169091675 969408849 /nfs/dbraw/zinc/40/88/49/969408849.db2.gz UNVFMZZTKPDVHH-CLLJXQQHSA-N 1 3 226.364 1.628 20 0 BDADHO CC[NH+]1CCC(N2CCOC[C@H](C)C2)CC1 ZINC001169246045 969534941 /nfs/dbraw/zinc/53/49/41/969534941.db2.gz NFZGLXDOIAIULP-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)CC2)C[C@H](C)N1C ZINC001254525718 969720137 /nfs/dbraw/zinc/72/01/37/969720137.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)CC2)C[C@H](C)N1C ZINC001254525718 969720145 /nfs/dbraw/zinc/72/01/45/969720145.db2.gz LJTGQHSZFMHDGS-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO CC[C@H]1COCC[N@@H+]1[C@H]1CCCN(C)CC1 ZINC001254526990 969721535 /nfs/dbraw/zinc/72/15/35/969721535.db2.gz VDGGNYCLYYDDQZ-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CC[C@H]1COCC[N@H+]1[C@H]1CCCN(C)CC1 ZINC001254526990 969721544 /nfs/dbraw/zinc/72/15/44/969721544.db2.gz VDGGNYCLYYDDQZ-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H](CC(F)(F)F)NCCC[N@H+](C)CCO ZINC001255646649 970425725 /nfs/dbraw/zinc/42/57/25/970425725.db2.gz QOYZIBXLRUURJC-VIFPVBQESA-N 1 3 242.285 1.231 20 0 BDADHO C[C@@H](CC(F)(F)F)NCCC[N@@H+](C)CCO ZINC001255646649 970425741 /nfs/dbraw/zinc/42/57/41/970425741.db2.gz QOYZIBXLRUURJC-VIFPVBQESA-N 1 3 242.285 1.231 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCCn1ccnc1 ZINC001255940756 970562313 /nfs/dbraw/zinc/56/23/13/970562313.db2.gz GCMCHLPQTFNBCZ-CYBMUJFWSA-N 1 3 238.379 1.593 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCn1ccnc1 ZINC001255940756 970562318 /nfs/dbraw/zinc/56/23/18/970562318.db2.gz GCMCHLPQTFNBCZ-CYBMUJFWSA-N 1 3 238.379 1.593 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)n1ccc(CN)n1 ZINC001255943659 970578887 /nfs/dbraw/zinc/57/88/87/970578887.db2.gz PQULGDIYKJVXSH-LLVKDONJSA-N 1 3 224.352 1.635 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](C)CC(=O)OC ZINC001255953181 970590494 /nfs/dbraw/zinc/59/04/94/970590494.db2.gz YJZBZEHDIZJXLD-NEPJUHHUSA-N 1 3 244.379 1.648 20 0 BDADHO CN(C)CCC(C)(C)[NH2+]C1CCN(C)CC1 ZINC001256197935 970692177 /nfs/dbraw/zinc/69/21/77/970692177.db2.gz VLNFRBIDEMABAZ-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO CCSC[C@H](C)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001173301856 975201104 /nfs/dbraw/zinc/20/11/04/975201104.db2.gz LZIHFOZSCGHTNU-LPEHRKFASA-N 1 3 202.367 1.597 20 0 BDADHO CC[N@@H+]1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001173362979 975337101 /nfs/dbraw/zinc/33/71/01/975337101.db2.gz KMLCUASEAVKWSI-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO CC[N@H+]1CC[C@@H](N2CCN(CC3CC3)CC2)C1 ZINC001173362979 975337109 /nfs/dbraw/zinc/33/71/09/975337109.db2.gz KMLCUASEAVKWSI-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO CCCN1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC001332980858 975352159 /nfs/dbraw/zinc/35/21/59/975352159.db2.gz IXTRMRDCJCYOFR-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCSCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001277914768 978960004 /nfs/dbraw/zinc/96/00/04/978960004.db2.gz WBMGLYTZAABJMT-UHFFFAOYSA-N 1 3 228.405 1.767 20 0 BDADHO C[C@]1(C[NH3+])CCCCN(C[C@H]2CCCO2)C1 ZINC001206542136 979649462 /nfs/dbraw/zinc/64/94/62/979649462.db2.gz SETURLQEQVSHPP-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@H]([NH3+])CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001237457620 979904766 /nfs/dbraw/zinc/90/47/66/979904766.db2.gz YEDSVAZYOZFXPL-AGIUHOORSA-N 1 3 243.370 1.232 20 0 BDADHO [NH3+]CCCCNCc1cccnc1Cl ZINC001345104742 980550621 /nfs/dbraw/zinc/55/06/21/980550621.db2.gz NOVGZZLLEVFKFU-UHFFFAOYSA-N 1 3 213.712 1.564 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024302 /nfs/dbraw/zinc/02/43/02/981024302.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 1 3 214.353 1.029 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024309 /nfs/dbraw/zinc/02/43/09/981024309.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024315 /nfs/dbraw/zinc/02/43/15/981024315.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)[C@H](C)O)C1 ZINC001191391029 981024323 /nfs/dbraw/zinc/02/43/23/981024323.db2.gz UCDCSBCSRFSZNJ-SRVKXCTJSA-N 1 3 214.353 1.029 20 0 BDADHO CC(C)C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC001573506898 984034308 /nfs/dbraw/zinc/03/43/08/984034308.db2.gz VAIIWSHPKPHTFG-MGPQQGTHSA-N 1 3 240.391 1.922 20 0 BDADHO COC(=O)CC[C@@H](C)N1CCC[C@@](C)([NH3+])CC1 ZINC001246548327 972682756 /nfs/dbraw/zinc/68/27/56/972682756.db2.gz FXUDATRRRYWLJT-DGCLKSJQSA-N 1 3 242.363 1.531 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(CF)C2)CCN1 ZINC001246564054 972801318 /nfs/dbraw/zinc/80/13/18/972801318.db2.gz DBQVGNZHAWZGJA-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(CF)C2)CCN1 ZINC001246564054 972801323 /nfs/dbraw/zinc/80/13/23/972801323.db2.gz DBQVGNZHAWZGJA-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146603285 973184431 /nfs/dbraw/zinc/18/44/31/973184431.db2.gz WOQIEYJWGLFCRQ-NWDGAFQWSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874894 973265796 /nfs/dbraw/zinc/26/57/96/973265796.db2.gz WNZARWZSHAGUDY-UHFZAUJKSA-N 1 3 212.312 1.274 20 0 BDADHO CC(C)CN1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000720908063 973469513 /nfs/dbraw/zinc/46/95/13/973469513.db2.gz UAVYRLROQZLPAZ-XBXGTLAGSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@](C)(O)C2)CC1 ZINC001256561469 970861523 /nfs/dbraw/zinc/86/15/23/970861523.db2.gz HRGVBAWDILWNJJ-MQMHXKEQSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001256622343 970887026 /nfs/dbraw/zinc/88/70/26/970887026.db2.gz HMHNDUAAMNJCKF-ICIURTGMSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001256622343 970887030 /nfs/dbraw/zinc/88/70/30/970887030.db2.gz HMHNDUAAMNJCKF-ICIURTGMSA-N 1 3 238.375 1.722 20 0 BDADHO CC(C)[N@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256689145 970921268 /nfs/dbraw/zinc/92/12/68/970921268.db2.gz QRGYNQZCEQRPKF-UHFFFAOYSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)[N@@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256689145 970921283 /nfs/dbraw/zinc/92/12/83/970921283.db2.gz QRGYNQZCEQRPKF-UHFFFAOYSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@H](Cc1ccncc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001256745568 970977033 /nfs/dbraw/zinc/97/70/33/970977033.db2.gz NNWQBEGPVYOAHP-YUELXQCFSA-N 1 3 245.370 1.506 20 0 BDADHO C[C@H](Cc1ccncc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001256745568 970977036 /nfs/dbraw/zinc/97/70/36/970977036.db2.gz NNWQBEGPVYOAHP-YUELXQCFSA-N 1 3 245.370 1.506 20 0 BDADHO CN1CC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224704450 973871808 /nfs/dbraw/zinc/87/18/08/973871808.db2.gz YXEVTHAJHSAGNP-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224704450 973871816 /nfs/dbraw/zinc/87/18/16/973871816.db2.gz YXEVTHAJHSAGNP-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO CC(C)[NH+]1CCC(Nc2ccc(CN)nc2)CC1 ZINC001257210627 971126827 /nfs/dbraw/zinc/12/68/27/971126827.db2.gz UZYBSWJOUIBCHC-UHFFFAOYSA-N 1 3 248.374 1.825 20 0 BDADHO CC(C)[NH+]1CCC(N2CCC[C@](C)(O)C2)CC1 ZINC001257216794 971133033 /nfs/dbraw/zinc/13/30/33/971133033.db2.gz ITHNHHXCVAHWCY-AWEZNQCLSA-N 1 3 240.391 1.706 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@H](C)[C@H](O)C2)CC1 ZINC001257215033 971132351 /nfs/dbraw/zinc/13/23/51/971132351.db2.gz RACQHJGVXHWDFL-TZMCWYRMSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[NH+]1CCC(N2CCC[C@@](C)(O)C2)CC1 ZINC001257216795 971135310 /nfs/dbraw/zinc/13/53/10/971135310.db2.gz ITHNHHXCVAHWCY-CQSZACIVSA-N 1 3 240.391 1.706 20 0 BDADHO CC(C)[NH+]1CCC(N(C)[C@@H]2CCCOC2)CC1 ZINC001257223467 971135860 /nfs/dbraw/zinc/13/58/60/971135860.db2.gz QPRVILUUGWWEGM-CQSZACIVSA-N 1 3 240.391 1.970 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCSC(F)(F)F ZINC000404758079 971180728 /nfs/dbraw/zinc/18/07/28/971180728.db2.gz GRLRNTDNPPHWHF-RNFRBKRXSA-N 1 3 242.310 1.955 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCSC(F)(F)F ZINC000404758079 971180738 /nfs/dbraw/zinc/18/07/38/971180738.db2.gz GRLRNTDNPPHWHF-RNFRBKRXSA-N 1 3 242.310 1.955 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCOCC(F)F)C12CCC2 ZINC000405293391 971229946 /nfs/dbraw/zinc/22/99/46/971229946.db2.gz ZJUVNTZLMABWKM-DTWKUNHWSA-N 1 3 234.290 1.128 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336933 971238244 /nfs/dbraw/zinc/23/82/44/971238244.db2.gz FVJKFQDUYRYZDC-VXGBXAGGSA-N 1 3 238.375 1.541 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCO2)C12CCC2 ZINC000405506317 971267254 /nfs/dbraw/zinc/26/72/54/971267254.db2.gz RXYURRRVNDAPGO-AXFHLTTASA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000405506317 971267262 /nfs/dbraw/zinc/26/72/62/971267262.db2.gz RXYURRRVNDAPGO-AXFHLTTASA-N 1 3 210.321 1.025 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217789681 971408947 /nfs/dbraw/zinc/40/89/47/971408947.db2.gz QCMCNUJRWMTNQR-IJLUTSLNSA-N 1 3 242.363 1.116 20 0 BDADHO [NH3+]Cc1cccc(O[C@H]2CCNC[C@H]2F)c1 ZINC001218073678 971593605 /nfs/dbraw/zinc/59/36/05/971593605.db2.gz VQFSXQWQRGTADM-NEPJUHHUSA-N 1 3 224.279 1.224 20 0 BDADHO COC(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172107504 974365545 /nfs/dbraw/zinc/36/55/45/974365545.db2.gz YXAVWSQJRCZVFE-ZSBIGDGJSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107504 974365552 /nfs/dbraw/zinc/36/55/52/974365552.db2.gz YXAVWSQJRCZVFE-ZSBIGDGJSA-N 1 3 240.347 1.154 20 0 BDADHO c1cc2c(c(O[C@@H]3[C@@H]4CC[C@H]3[NH2+]C4)c1)CNC2 ZINC001218444546 971822609 /nfs/dbraw/zinc/82/26/09/971822609.db2.gz JXWZOSJOCWUCFK-MPKXVKKWSA-N 1 3 230.311 1.419 20 0 BDADHO C[C@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1CNCCO1 ZINC001159488211 971914330 /nfs/dbraw/zinc/91/43/30/971914330.db2.gz ATWLAIKLPWSSHT-JOYOIKCWSA-N 1 3 246.314 1.352 20 0 BDADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(O)cc2)C1 ZINC000310205949 971958503 /nfs/dbraw/zinc/95/85/03/971958503.db2.gz CPWJQPLGUCIOIG-CYBMUJFWSA-N 1 3 234.343 1.953 20 0 BDADHO Cc1ccc(C)c(N[C@H](N)CCC[NH3+])c1 ZINC001170897959 972052663 /nfs/dbraw/zinc/05/26/63/972052663.db2.gz AARUADANTSUJSU-LBPRGKRZSA-N 1 3 207.321 1.739 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)CCO2 ZINC001170900063 972065638 /nfs/dbraw/zinc/06/56/38/972065638.db2.gz ORNMQWIPOGWZTA-LBPRGKRZSA-N 1 3 221.304 1.057 20 0 BDADHO Cc1nc2c(ncc(N[C@H](N)CCC[NH3+])c2C)[nH]1 ZINC001170906753 972081268 /nfs/dbraw/zinc/08/12/68/972081268.db2.gz XMQOQIRRKHSREC-JTQLQIEISA-N 1 3 248.334 1.010 20 0 BDADHO N[C@@H](CCC[NH3+])N[C@@H](F)c1ccnc(Cl)c1 ZINC001159784465 972110454 /nfs/dbraw/zinc/11/04/54/972110454.db2.gz JBRDUKWUOSLBHW-NXEZZACHSA-N 1 3 246.717 1.316 20 0 BDADHO [NH3+]C1(CN[C@@H]2CCSC2)CCCC1 ZINC001246077682 972131453 /nfs/dbraw/zinc/13/14/53/972131453.db2.gz XFSBRUUVEDAVDQ-SECBINFHSA-N 1 3 200.351 1.353 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CCN1 ZINC001246090442 972143072 /nfs/dbraw/zinc/14/30/72/972143072.db2.gz XPKSUJGPKJSMNU-FVCCEPFGSA-N 1 3 226.364 1.410 20 0 BDADHO Cc1ccc(CN)nc1N(C)C1CC[NH2+]CC1 ZINC001246089124 972144582 /nfs/dbraw/zinc/14/45/82/972144582.db2.gz ORJHJUDGGADTKU-UHFFFAOYSA-N 1 3 234.347 1.037 20 0 BDADHO CC1(C)CCC(N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246146809 972196404 /nfs/dbraw/zinc/19/64/04/972196404.db2.gz HPEXDRYUNPNFQG-FRRDWIJNSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)CCC[C@H](C)NC(=O)[C@H](N)CCC[NH3+] ZINC001220250261 972198684 /nfs/dbraw/zinc/19/86/84/972198684.db2.gz URUTUDWBZPUWDI-NWDGAFQWSA-N 1 3 243.395 1.384 20 0 BDADHO COC(=O)C1(CN[C@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246179710 972208800 /nfs/dbraw/zinc/20/88/00/972208800.db2.gz FFXBZYCOBOTTSG-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)C1(C[NH2+][C@H]2CCN[C@H](C)C2)CCC1 ZINC001246179710 972208804 /nfs/dbraw/zinc/20/88/04/972208804.db2.gz FFXBZYCOBOTTSG-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCc3cccs3)C[C@H]2C1 ZINC000193623281 972229740 /nfs/dbraw/zinc/22/97/40/972229740.db2.gz OEGIURPEJXYIAF-TXEJJXNPSA-N 1 3 236.384 1.784 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCc3cccs3)C[C@H]2C1 ZINC000193623281 972229743 /nfs/dbraw/zinc/22/97/43/972229743.db2.gz OEGIURPEJXYIAF-TXEJJXNPSA-N 1 3 236.384 1.784 20 0 BDADHO CO[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246235243 972240754 /nfs/dbraw/zinc/24/07/54/972240754.db2.gz GHLXCWWKQWSZAE-FVCCEPFGSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000396704670 957183015 /nfs/dbraw/zinc/18/30/15/957183015.db2.gz OCXZKLILEUXFTG-YFKTTZPYSA-N 1 3 212.337 1.284 20 0 BDADHO Fc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13CNC3)C2 ZINC001246447918 972321285 /nfs/dbraw/zinc/32/12/85/972321285.db2.gz XQKOHNXREGSMJW-ZIAGYGMSSA-N 1 3 246.329 1.635 20 0 BDADHO N[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001246477761 972347662 /nfs/dbraw/zinc/34/76/62/972347662.db2.gz KPSYZNZPXAMYEL-MJBXVCDLSA-N 1 3 237.391 1.330 20 0 BDADHO COc1cnccc1CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246474895 972349314 /nfs/dbraw/zinc/34/93/14/972349314.db2.gz CDMBPBJRJYRPSU-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO COc1cnccc1CC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246474895 972349321 /nfs/dbraw/zinc/34/93/21/972349321.db2.gz CDMBPBJRJYRPSU-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H]1CC[C@@H](NCCN2CCCCC2)C[NH2+]1 ZINC000399016543 958485901 /nfs/dbraw/zinc/48/59/01/958485901.db2.gz CJQIUPFPLHVUNT-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1C[C@H](N2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033031 958493190 /nfs/dbraw/zinc/49/31/90/958493190.db2.gz MUZGLSWZSPBXGG-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CN1 ZINC000399224524 958570928 /nfs/dbraw/zinc/57/09/28/958570928.db2.gz MAMWIHPSLVJQNC-NWANDNLSSA-N 1 3 248.370 1.320 20 0 BDADHO COc1cc(CN2CC[C@H](CC[NH3+])C2)sn1 ZINC000690757796 959226125 /nfs/dbraw/zinc/22/61/25/959226125.db2.gz WNKVABINDOWZRN-VIFPVBQESA-N 1 3 241.360 1.322 20 0 BDADHO CSC[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405327638 959438678 /nfs/dbraw/zinc/43/86/78/959438678.db2.gz VBSHWMXPAUYSSD-IVZWLZJFSA-N 1 3 214.378 1.597 20 0 BDADHO N[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503751 959525970 /nfs/dbraw/zinc/52/59/70/959525970.db2.gz KUWVNMXKWFIVFK-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO N[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503751 959525983 /nfs/dbraw/zinc/52/59/83/959525983.db2.gz KUWVNMXKWFIVFK-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H](O)CC2CCCC2)C1 ZINC000300028619 959814471 /nfs/dbraw/zinc/81/44/71/959814471.db2.gz JMZAMOFSPQOQHK-ZIAGYGMSSA-N 1 3 240.391 1.598 20 0 BDADHO C[C@H]1CN(Cc2ccc(O)cc2)C[C@H]1C[NH3+] ZINC000708867803 959991340 /nfs/dbraw/zinc/99/13/40/959991340.db2.gz FMFCOEOWEGQCGW-CMPLNLGQSA-N 1 3 220.316 1.419 20 0 BDADHO C[C@@H]1CN(CC2CC[NH2+]CC2)CCCC1=O ZINC001207436932 960087987 /nfs/dbraw/zinc/08/79/87/960087987.db2.gz XCHBZORQSODNSR-LLVKDONJSA-N 1 3 224.348 1.287 20 0 BDADHO CCCCCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492119 972518948 /nfs/dbraw/zinc/51/89/48/972518948.db2.gz OUSHSDINSCPVIS-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO CC[C@@H](C)C[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491431 972516575 /nfs/dbraw/zinc/51/65/75/972516575.db2.gz AUHZYXGEFJAERY-AGIUHOORSA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@@H](C)C[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491431 972516586 /nfs/dbraw/zinc/51/65/86/972516586.db2.gz AUHZYXGEFJAERY-AGIUHOORSA-N 1 3 225.380 1.058 20 0 BDADHO c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000709446953 960613614 /nfs/dbraw/zinc/61/36/14/960613614.db2.gz LCAAGARQWVHKFW-PBWFPOADSA-N 1 3 231.343 1.497 20 0 BDADHO O[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709489028 960621074 /nfs/dbraw/zinc/62/10/74/960621074.db2.gz GHQPGBWILSPWKO-ZGVCCVRISA-N 1 3 224.348 1.116 20 0 BDADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)N(C)C ZINC001268092806 961201761 /nfs/dbraw/zinc/20/17/61/961201761.db2.gz FVNGSDORJJCCSF-NEPJUHHUSA-N 1 3 243.395 1.172 20 0 BDADHO C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958513 962827455 /nfs/dbraw/zinc/82/74/55/962827455.db2.gz GHHWMHAZUVFVCF-HLVVYCRESA-N 1 3 238.375 1.362 20 0 BDADHO C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958513 962827465 /nfs/dbraw/zinc/82/74/65/962827465.db2.gz GHHWMHAZUVFVCF-HLVVYCRESA-N 1 3 238.375 1.362 20 0 BDADHO C[C@H](C[NH+](C)C)Nc1cc(CN(C)C)ccn1 ZINC001155922452 963203654 /nfs/dbraw/zinc/20/36/54/963203654.db2.gz WJRSKOKFZJXHBQ-LLVKDONJSA-N 1 3 236.363 1.505 20 0 BDADHO C[NH2+]CCNc1ncccc1CN1CCCC1 ZINC001156897469 963487625 /nfs/dbraw/zinc/48/76/25/963487625.db2.gz ROLMJSRLUHVNTR-UHFFFAOYSA-N 1 3 234.347 1.309 20 0 BDADHO N[C@H]1CCC[N@@H+](C2CCSCC2)CC1 ZINC000725661063 963793392 /nfs/dbraw/zinc/79/33/92/963793392.db2.gz CFRKUHRPDAWWLL-JTQLQIEISA-N 1 3 214.378 1.695 20 0 BDADHO N[C@H]1CCC[N@H+](C2CCSCC2)CC1 ZINC000725661063 963793397 /nfs/dbraw/zinc/79/33/97/963793397.db2.gz CFRKUHRPDAWWLL-JTQLQIEISA-N 1 3 214.378 1.695 20 0 BDADHO C[C@H](Cc1ccc(Cl)cc1)NC[C@@H](O)C[NH3+] ZINC001168150156 963868925 /nfs/dbraw/zinc/86/89/25/963868925.db2.gz RHKHAXQRKNZWSN-SKDRFNHKSA-N 1 3 242.750 1.180 20 0 BDADHO COc1ccc2c(c1)C[C@H](N(C)C[C@H](C)C[NH3+])C2 ZINC001168245322 964054828 /nfs/dbraw/zinc/05/48/28/964054828.db2.gz WRQWEKDRFNNRFM-BXUZGUMPSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@H+](C)C[C@H](C)CN)C2 ZINC001168245322 964054847 /nfs/dbraw/zinc/05/48/47/964054847.db2.gz WRQWEKDRFNNRFM-BXUZGUMPSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@@H+](C)C[C@H](C)CN)C2 ZINC001168245322 964054865 /nfs/dbraw/zinc/05/48/65/964054865.db2.gz WRQWEKDRFNNRFM-BXUZGUMPSA-N 1 3 248.370 1.689 20 0 BDADHO C[C@H](Nc1cc2[nH]ccc2c[nH+]1)[C@H]1CNCCO1 ZINC001159488285 964113005 /nfs/dbraw/zinc/11/30/05/964113005.db2.gz BONGVLZUEYKGPL-JOYOIKCWSA-N 1 3 246.314 1.352 20 0 BDADHO C[C@@H](N)c1ccn(C2CCC([NH+](C)C)CC2)n1 ZINC001168298182 964393965 /nfs/dbraw/zinc/39/39/65/964393965.db2.gz CVODYAJANDZMNL-VOMCLLRMSA-N 1 3 236.363 1.948 20 0 BDADHO CN(CC1CCCCC1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160713637 964400810 /nfs/dbraw/zinc/40/08/10/964400810.db2.gz ISIGFKNUGSDDFH-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO C[NH+](C)C1CCC(N2CCCC(=O)CC2)CC1 ZINC001168318960 964435813 /nfs/dbraw/zinc/43/58/13/964435813.db2.gz JHHOCKUEKUDYKA-UHFFFAOYSA-N 1 3 238.375 1.914 20 0 BDADHO C[C@H](CCN[C@@H]1CCO[C@H]1C)[NH+](C)C ZINC000697857872 964567460 /nfs/dbraw/zinc/56/74/60/964567460.db2.gz KWCLGVUINOGSQR-OUAUKWLOSA-N 1 3 200.326 1.094 20 0 BDADHO C[NH+](C)CCNc1cc(N)c(C(F)(F)F)cn1 ZINC001161666532 964668066 /nfs/dbraw/zinc/66/80/66/964668066.db2.gz RBWOVJNAIPUGDR-UHFFFAOYSA-N 1 3 248.252 1.656 20 0 BDADHO CCC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001483138764 964765937 /nfs/dbraw/zinc/76/59/37/964765937.db2.gz QFQOJDDNVNQUKC-NEPJUHHUSA-N 1 3 243.395 1.077 20 0 BDADHO NCc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC001162400282 964958426 /nfs/dbraw/zinc/95/84/26/964958426.db2.gz GUCRULBWQKKLEV-NXEZZACHSA-N 1 3 220.320 1.222 20 0 BDADHO CC(C)([NH3+])c1ccccc1-n1nccc1CN ZINC001162598130 965067433 /nfs/dbraw/zinc/06/74/33/965067433.db2.gz PMDMJKGSVKRPDW-UHFFFAOYSA-N 1 3 230.315 1.525 20 0 BDADHO CN(C)c1cccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)n1 ZINC001162791070 965177706 /nfs/dbraw/zinc/17/77/06/965177706.db2.gz YVGXQOQLLRQGFQ-SDDRHHMPSA-N 1 3 244.342 1.334 20 0 BDADHO C[C@@H]1CC[C@H](NCC2([NH3+])CC2)[C@@H](n2cncn2)C1 ZINC001120356856 965278669 /nfs/dbraw/zinc/27/86/69/965278669.db2.gz MIKOBCJXXZXLLI-WOPDTQHZSA-N 1 3 249.362 1.089 20 0 BDADHO NC1CC([NH2+][C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168412500 965294684 /nfs/dbraw/zinc/29/46/84/965294684.db2.gz OUHFNVWNAXQRMY-MOKVOYLWSA-N 1 3 234.318 1.762 20 0 BDADHO [NH3+]C1CC(N[C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168412500 965294696 /nfs/dbraw/zinc/29/46/96/965294696.db2.gz OUHFNVWNAXQRMY-MOKVOYLWSA-N 1 3 234.318 1.762 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC001205076910 965497220 /nfs/dbraw/zinc/49/72/20/965497220.db2.gz ZEZZTOWZHOCETP-GWCFXTLKSA-N 1 3 244.342 1.875 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC001205076910 965497227 /nfs/dbraw/zinc/49/72/27/965497227.db2.gz ZEZZTOWZHOCETP-GWCFXTLKSA-N 1 3 244.342 1.875 20 0 BDADHO C[C@]1(C[NH3+])CCCN(c2cccc(N)n2)CC1 ZINC001164242706 965808988 /nfs/dbraw/zinc/80/89/88/965808988.db2.gz OSNDBVQCKDSAAE-ZDUSSCGKSA-N 1 3 234.347 1.619 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2COC[C@H]2CC)C1 ZINC000699485284 965909808 /nfs/dbraw/zinc/90/98/08/965909808.db2.gz OEBKMRWOZVLXID-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CN(C)Cc1ccnc(N(C)C[C@H]2CC[NH2+]C2)c1 ZINC001165125920 965970678 /nfs/dbraw/zinc/97/06/78/965970678.db2.gz SNJPOKSHEKQNOJ-ZDUSSCGKSA-N 1 3 248.374 1.189 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNc2cccc(CN)n2)C1 ZINC001165289419 966028374 /nfs/dbraw/zinc/02/83/74/966028374.db2.gz AORQILARDVDETL-LBPRGKRZSA-N 1 3 248.374 1.684 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNc2cccc(CN)n2)C1 ZINC001165289419 966028391 /nfs/dbraw/zinc/02/83/91/966028391.db2.gz AORQILARDVDETL-LBPRGKRZSA-N 1 3 248.374 1.684 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNc2cccc(CN)n2)C1 ZINC001165289418 966031532 /nfs/dbraw/zinc/03/15/32/966031532.db2.gz AORQILARDVDETL-GFCCVEGCSA-N 1 3 248.374 1.684 20 0 BDADHO C[N@H+]1CCC[C@H](CCNc2cccc(CN)n2)C1 ZINC001165289418 966031547 /nfs/dbraw/zinc/03/15/47/966031547.db2.gz AORQILARDVDETL-GFCCVEGCSA-N 1 3 248.374 1.684 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CCC[C@H]3[NH2+]C[C@@H]32)n1 ZINC001165390230 966087057 /nfs/dbraw/zinc/08/70/57/966087057.db2.gz DDZRSYLHYIGKGJ-YPMHNXCESA-N 1 3 242.326 1.812 20 0 BDADHO Nc1cccc(N2CCC(C3C[NH2+]C3)CC2)n1 ZINC001165411343 966097304 /nfs/dbraw/zinc/09/73/04/966097304.db2.gz SXEPXADQNVQCKG-UHFFFAOYSA-N 1 3 232.331 1.100 20 0 BDADHO CC[NH2+]CCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001485750776 966634149 /nfs/dbraw/zinc/63/41/49/966634149.db2.gz ATQIFQDJSYFORA-LBPRGKRZSA-N 1 3 243.395 1.221 20 0 BDADHO C[NH+]1CCC2(CN(Cc3ccc(O)cc3)C2)CC1 ZINC001204097461 966895364 /nfs/dbraw/zinc/89/53/64/966895364.db2.gz YRCKABMFWDNNLL-UHFFFAOYSA-N 1 3 246.354 1.920 20 0 BDADHO CS[C@H](C)CC[N@@H+]1CC[C@@](C)(N)C1 ZINC001204763027 967155785 /nfs/dbraw/zinc/15/57/85/967155785.db2.gz FGSXBBSXQXFMMI-NXEZZACHSA-N 1 3 202.367 1.551 20 0 BDADHO CS[C@H](C)CC[N@H+]1CC[C@@](C)(N)C1 ZINC001204763027 967155792 /nfs/dbraw/zinc/15/57/92/967155792.db2.gz FGSXBBSXQXFMMI-NXEZZACHSA-N 1 3 202.367 1.551 20 0 BDADHO CNc1ncccc1CN1CCC(C[NH3+])CC1 ZINC001205033372 967220372 /nfs/dbraw/zinc/22/03/72/967220372.db2.gz CZKJADBBJAIEPV-UHFFFAOYSA-N 1 3 234.347 1.294 20 0 BDADHO [NH3+]CC1CCN(Cc2cc3ncccc3[nH]2)CC1 ZINC001205046746 967303882 /nfs/dbraw/zinc/30/38/82/967303882.db2.gz LTHVIAPYOOOSMT-UHFFFAOYSA-N 1 3 244.342 1.734 20 0 BDADHO Cc1c(O)cccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146389 967387251 /nfs/dbraw/zinc/38/72/51/967387251.db2.gz TZUNSHJGMWIZHM-GXFFZTMASA-N 1 3 234.343 1.727 20 0 BDADHO COc1ccc(CN2CCC(C[NH3+])CC2)c(C)n1 ZINC001205046265 967591421 /nfs/dbraw/zinc/59/14/21/967591421.db2.gz AELZFQBLTPNXIA-UHFFFAOYSA-N 1 3 249.358 1.569 20 0 BDADHO CS[C@@H](C)CC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863428 967862098 /nfs/dbraw/zinc/86/20/98/967862098.db2.gz SCAHYUUPGHOGBC-VWYCJHECSA-N 1 3 216.394 1.797 20 0 BDADHO CS[C@@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863428 967862101 /nfs/dbraw/zinc/86/21/01/967862101.db2.gz SCAHYUUPGHOGBC-VWYCJHECSA-N 1 3 216.394 1.797 20 0 BDADHO C[C@@H]1CCCN(Cc2cc[nH]n2)[C@@H]1CCC[NH3+] ZINC000694630218 967906645 /nfs/dbraw/zinc/90/66/45/967906645.db2.gz PWLXDQYZTCATIF-DGCLKSJQSA-N 1 3 236.363 1.749 20 0 BDADHO C[C@H]1CN(Cc2ccn(C)n2)CCC[C@@H]1C[NH3+] ZINC001205996160 967950217 /nfs/dbraw/zinc/95/02/17/967950217.db2.gz VOHAPINWGRKFRN-NWDGAFQWSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@@H]1C[N@H+](Cc2cncc([O-])c2)CCC[C@@H]1C[NH3+] ZINC001206012762 967969703 /nfs/dbraw/zinc/96/97/03/967969703.db2.gz NPTUJSVRDKUWAF-DGCLKSJQSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2cncc([O-])c2)CCC[C@@H]1C[NH3+] ZINC001206012762 967969713 /nfs/dbraw/zinc/96/97/13/967969713.db2.gz NPTUJSVRDKUWAF-DGCLKSJQSA-N 1 3 249.358 1.594 20 0 BDADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)ccn1 ZINC001206164803 968102988 /nfs/dbraw/zinc/10/29/88/968102988.db2.gz LLJMZVQROSPNDD-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)ccn1 ZINC001206164803 968102995 /nfs/dbraw/zinc/10/29/95/968102995.db2.gz LLJMZVQROSPNDD-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO CCOC(C)(C)CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336715 968247359 /nfs/dbraw/zinc/24/73/59/968247359.db2.gz NQYOOPWMTFKSDM-CYBMUJFWSA-N 1 3 246.370 1.954 20 0 BDADHO CC1(C[N@@H+]2C[C@@H](O)[C@@H](CN)C2)CCCCC1 ZINC001206464683 968326598 /nfs/dbraw/zinc/32/65/98/968326598.db2.gz RZLSBVLYGNHZMW-NWDGAFQWSA-N 1 3 226.364 1.208 20 0 BDADHO CC1(C[N@H+]2C[C@@H](O)[C@@H](CN)C2)CCCCC1 ZINC001206464683 968326611 /nfs/dbraw/zinc/32/66/11/968326611.db2.gz RZLSBVLYGNHZMW-NWDGAFQWSA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@H]1C[N@H+](CCCCc2ccccc2)C[C@@H]1O ZINC001206506719 968345318 /nfs/dbraw/zinc/34/53/18/968345318.db2.gz MVTLNHUHZMHOOA-GJZGRUSLSA-N 1 3 248.370 1.261 20 0 BDADHO NC[C@H]1C[N@@H+](CCCCc2ccccc2)C[C@@H]1O ZINC001206506719 968345328 /nfs/dbraw/zinc/34/53/28/968345328.db2.gz MVTLNHUHZMHOOA-GJZGRUSLSA-N 1 3 248.370 1.261 20 0 BDADHO Cc1ccnc(CN2CCC3(C[NH+](C)C3)CC2)c1 ZINC001206854040 968498771 /nfs/dbraw/zinc/49/87/71/968498771.db2.gz MHHCKZFDTCXNLX-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1ccnc(C[NH+]2CCC3(CN(C)C3)CC2)c1 ZINC001206854040 968498779 /nfs/dbraw/zinc/49/87/79/968498779.db2.gz MHHCKZFDTCXNLX-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO CCCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001252118734 968603397 /nfs/dbraw/zinc/60/33/97/968603397.db2.gz JZJJMEJXDCZPQB-MCIONIFRSA-N 1 3 242.407 2.000 20 0 BDADHO c1cnc([C@@H]2CCCN2CC2CC[NH2+]CC2)nc1 ZINC001207443240 968776383 /nfs/dbraw/zinc/77/63/83/968776383.db2.gz OQGIBBNYCIPLJH-ZDUSSCGKSA-N 1 3 246.358 1.613 20 0 BDADHO CC[N@H+](CCCN(C)C)C[C@H]1CCCO1 ZINC000336652044 968818421 /nfs/dbraw/zinc/81/84/21/968818421.db2.gz WCDDVSMGIVYYNZ-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CC[N@@H+](CCCN(C)C)C[C@H]1CCCO1 ZINC000336652044 968818426 /nfs/dbraw/zinc/81/84/26/968818426.db2.gz WCDDVSMGIVYYNZ-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN[C@@H]1CC[C@@H](F)C1 ZINC001253202549 969108248 /nfs/dbraw/zinc/10/82/48/969108248.db2.gz KAZYSMWEIXXJSP-IJLUTSLNSA-N 1 3 232.343 1.169 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CCCC1 ZINC001253383244 969146512 /nfs/dbraw/zinc/14/65/12/969146512.db2.gz CCYLIHPRQHMNRX-NSHDSACASA-N 1 3 214.353 1.268 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCCC1 ZINC001253383244 969146515 /nfs/dbraw/zinc/14/65/15/969146515.db2.gz CCYLIHPRQHMNRX-NSHDSACASA-N 1 3 214.353 1.268 20 0 BDADHO CC(C)[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384473 969148938 /nfs/dbraw/zinc/14/89/38/969148938.db2.gz VCDBRNLJFLTTHD-QWRGUYRKSA-N 1 3 216.369 1.370 20 0 BDADHO CSCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253403309 969156201 /nfs/dbraw/zinc/15/62/01/969156201.db2.gz DLESLWABHBEEBN-JTQLQIEISA-N 1 3 234.409 1.078 20 0 BDADHO CN1CCC([N@H+](C)C[C@@H]2CCCN(C)C2)CC1 ZINC001208603312 969157371 /nfs/dbraw/zinc/15/73/71/969157371.db2.gz AXBFPFDSXFGWBM-CYBMUJFWSA-N 1 3 239.407 1.354 20 0 BDADHO CN1CCC([N@@H+](C)C[C@@H]2CCCN(C)C2)CC1 ZINC001208603312 969157383 /nfs/dbraw/zinc/15/73/83/969157383.db2.gz AXBFPFDSXFGWBM-CYBMUJFWSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@H]1COCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124208 969421250 /nfs/dbraw/zinc/42/12/50/969421250.db2.gz ASGGRXGJFFICMH-YIYPIFLZSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@H]1COCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124208 969421254 /nfs/dbraw/zinc/42/12/54/969421254.db2.gz ASGGRXGJFFICMH-YIYPIFLZSA-N 1 3 238.375 1.580 20 0 BDADHO CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169114786 969456308 /nfs/dbraw/zinc/45/63/08/969456308.db2.gz YNCAJBMOCHARLB-SYQHCUMBSA-N 1 3 237.391 1.295 20 0 BDADHO CN(C)C1(C)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169145944 969468084 /nfs/dbraw/zinc/46/80/84/969468084.db2.gz NMODRKZTFUQNSL-ITGUQSILSA-N 1 3 237.391 1.248 20 0 BDADHO CN(C)C1(C)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169145944 969468092 /nfs/dbraw/zinc/46/80/92/969468092.db2.gz NMODRKZTFUQNSL-ITGUQSILSA-N 1 3 237.391 1.248 20 0 BDADHO CCCN1C[C@@H]2C[NH+](C[C@@H]3C[C@@H]3C)C[C@H]2C1 ZINC001209430012 969496671 /nfs/dbraw/zinc/49/66/71/969496671.db2.gz IYICIFHLGUBVEF-IGQOVBAYSA-N 1 3 222.376 1.916 20 0 BDADHO C[C@@H](N)c1ccn(-c2cccc(C[NH3+])c2)n1 ZINC001169231974 969508969 /nfs/dbraw/zinc/50/89/69/969508969.db2.gz XVFBELIXJCGBEQ-SECBINFHSA-N 1 3 216.288 1.351 20 0 BDADHO C[C@H]1C[C@@H](CO)N(CCC[NH+]2CCCCC2)C1 ZINC001209448436 969518261 /nfs/dbraw/zinc/51/82/61/969518261.db2.gz RUUXWBHOHUSPMH-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO Nc1ccncc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001209728136 969581934 /nfs/dbraw/zinc/58/19/34/969581934.db2.gz DMFGERNOVFWRCZ-RISCZKNCSA-N 1 3 247.342 1.495 20 0 BDADHO Nc1ccncc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001209728136 969581936 /nfs/dbraw/zinc/58/19/36/969581936.db2.gz DMFGERNOVFWRCZ-RISCZKNCSA-N 1 3 247.342 1.495 20 0 BDADHO Nc1ccncc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001209728135 969583333 /nfs/dbraw/zinc/58/33/33/969583333.db2.gz DMFGERNOVFWRCZ-FZMZJTMJSA-N 1 3 247.342 1.495 20 0 BDADHO Nc1ccncc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001209728135 969583337 /nfs/dbraw/zinc/58/33/37/969583337.db2.gz DMFGERNOVFWRCZ-FZMZJTMJSA-N 1 3 247.342 1.495 20 0 BDADHO Nc1ccncc1C[NH+]1CCC(C(F)F)CC1 ZINC001209731233 969595639 /nfs/dbraw/zinc/59/56/39/969595639.db2.gz QHKUCJPOIBOLLL-UHFFFAOYSA-N 1 3 241.285 1.971 20 0 BDADHO CN1CCC[C@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001254504464 969673704 /nfs/dbraw/zinc/67/37/04/969673704.db2.gz BKKYRXVMZKGOHF-SDDRHHMPSA-N 1 3 230.327 1.187 20 0 BDADHO CC(C)[N@H+]([C@@H]1CCCN(C)CC1)C(C)(C)CN ZINC001254514385 969687482 /nfs/dbraw/zinc/68/74/82/969687482.db2.gz KXMGDEKIZRDLSA-CYBMUJFWSA-N 1 3 241.423 1.918 20 0 BDADHO CC(C)[N@@H+]([C@@H]1CCCN(C)CC1)C(C)(C)CN ZINC001254514385 969687487 /nfs/dbraw/zinc/68/74/87/969687487.db2.gz KXMGDEKIZRDLSA-CYBMUJFWSA-N 1 3 241.423 1.918 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254529860 969732117 /nfs/dbraw/zinc/73/21/17/969732117.db2.gz RTECDAVKWKXICE-MCIONIFRSA-N 1 3 237.391 1.249 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254529860 969732124 /nfs/dbraw/zinc/73/21/24/969732124.db2.gz RTECDAVKWKXICE-MCIONIFRSA-N 1 3 237.391 1.249 20 0 BDADHO C1C(N2CCCC2)CN1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254860897 969811347 /nfs/dbraw/zinc/81/13/47/969811347.db2.gz DDKJHMXRTXCIHC-CQSZACIVSA-N 1 3 249.402 1.251 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254937187 969827304 /nfs/dbraw/zinc/82/73/04/969827304.db2.gz ZNZJKGBEMFYDMU-FPYNETTCSA-N 1 3 236.359 1.604 20 0 BDADHO [NH3+]CC1(N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255106008 969938864 /nfs/dbraw/zinc/93/88/64/969938864.db2.gz JRTWNQCGWHEZGU-AWEZNQCLSA-N 1 3 245.370 1.342 20 0 BDADHO Cn1c[nH+]cc1Nc1ccnn1-c1ccncc1 ZINC001211247735 970194336 /nfs/dbraw/zinc/19/43/36/970194336.db2.gz AXLDCFYGSLKBBT-UHFFFAOYSA-N 1 3 240.270 1.744 20 0 BDADHO COc1c[nH+]ccc1Nc1c(C)ncn1C ZINC001211260567 970207449 /nfs/dbraw/zinc/20/74/49/970207449.db2.gz ZZSDDKYURVAIQU-UHFFFAOYSA-N 1 3 218.260 1.298 20 0 BDADHO C[C@@H]1CC[C@@H]([NH+]2CCN(CCN(C)C)CC2)C1 ZINC001170125333 970371427 /nfs/dbraw/zinc/37/14/27/970371427.db2.gz KCERQARRUPJYGL-ZIAGYGMSSA-N 1 3 239.407 1.354 20 0 BDADHO CC[C@H](O)CN[C@H](C)CC[NH+](CC)CC ZINC001255942152 970566384 /nfs/dbraw/zinc/56/63/84/970566384.db2.gz DUDRSRJMJCQSSJ-NEPJUHHUSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@H](O)C[NH2+][C@H](C)CCN(CC)CC ZINC001255942152 970566393 /nfs/dbraw/zinc/56/63/93/970566393.db2.gz DUDRSRJMJCQSSJ-NEPJUHHUSA-N 1 3 216.369 1.467 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC(C)(C)CO ZINC001255939734 970572032 /nfs/dbraw/zinc/57/20/32/970572032.db2.gz IMIMHBUXJWZOCQ-NSHDSACASA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)CO ZINC001255939734 970572037 /nfs/dbraw/zinc/57/20/37/970572037.db2.gz IMIMHBUXJWZOCQ-NSHDSACASA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](CO)C(C)C ZINC001255941651 970572681 /nfs/dbraw/zinc/57/26/81/970572681.db2.gz WCKKKGWNIHGOLP-OLZOCXBDSA-N 1 3 230.396 1.713 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)(C)O ZINC001255940891 970573604 /nfs/dbraw/zinc/57/36/04/970573604.db2.gz IAWWKBMQQPFXOB-NSHDSACASA-N 1 3 216.369 1.467 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)O ZINC001255940891 970573616 /nfs/dbraw/zinc/57/36/16/970573616.db2.gz IAWWKBMQQPFXOB-NSHDSACASA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H](OC)C1 ZINC001255942597 970575534 /nfs/dbraw/zinc/57/55/34/970575534.db2.gz GBJYLGAYXJJEQW-UPJWGTAASA-N 1 3 228.380 1.874 20 0 BDADHO c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)no1 ZINC000400988457 970653951 /nfs/dbraw/zinc/65/39/51/970653951.db2.gz WQWWYFBAHHWWLV-GMTAPVOTSA-N 1 3 221.304 1.152 20 0 BDADHO COc1cccc(C[C@@H](C)NC2CC([NH3+])C2)c1 ZINC001256150431 970673217 /nfs/dbraw/zinc/67/32/17/970673217.db2.gz HDNLHHFRDLNKNC-QFWMXSHPSA-N 1 3 234.343 1.706 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]C2CC(N)C2)c1 ZINC001256150431 970673227 /nfs/dbraw/zinc/67/32/27/970673227.db2.gz HDNLHHFRDLNKNC-QFWMXSHPSA-N 1 3 234.343 1.706 20 0 BDADHO C[C@@H](N)c1ccn(C2CC[NH+](C)CC2)n1 ZINC001256196325 970691286 /nfs/dbraw/zinc/69/12/86/970691286.db2.gz JAHOKENXUFLZAO-SECBINFHSA-N 1 3 208.309 1.170 20 0 BDADHO C[NH+]1CCC(N2CCC3(CCO3)CC2)CC1 ZINC001256208674 970712327 /nfs/dbraw/zinc/71/23/27/970712327.db2.gz MIRYSWBSVCJTHN-UHFFFAOYSA-N 1 3 224.348 1.336 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1CO[C@H](C)C1 ZINC000401903149 970742999 /nfs/dbraw/zinc/74/29/99/970742999.db2.gz GGAYTNXSAWBLQV-MXWKQRLJSA-N 1 3 200.326 1.094 20 0 BDADHO [NH3+]CCCCNCc1cn(-c2ccccc2)nn1 ZINC001327416830 972570155 /nfs/dbraw/zinc/57/01/55/972570155.db2.gz UWPQSWUYXLPCFN-UHFFFAOYSA-N 1 3 245.330 1.096 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553612 972744437 /nfs/dbraw/zinc/74/44/37/972744437.db2.gz BNEOQQJGGNXRRC-MXWKQRLJSA-N 1 3 248.317 1.470 20 0 BDADHO CSC(C)(C)C[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556792 972762417 /nfs/dbraw/zinc/76/24/17/972762417.db2.gz DICPCCRYAPUDOO-GMTAPVOTSA-N 1 3 246.420 1.301 20 0 BDADHO CSC(C)(C)C[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556792 972762426 /nfs/dbraw/zinc/76/24/26/972762426.db2.gz DICPCCRYAPUDOO-GMTAPVOTSA-N 1 3 246.420 1.301 20 0 BDADHO CSC(C)(C)C[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246556792 972762431 /nfs/dbraw/zinc/76/24/31/972762431.db2.gz DICPCCRYAPUDOO-GMTAPVOTSA-N 1 3 246.420 1.301 20 0 BDADHO CC(C)=CCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586944 972978487 /nfs/dbraw/zinc/97/84/87/972978487.db2.gz UUGQLNHHLVIMFV-AVGNSLFASA-N 1 3 226.364 1.373 20 0 BDADHO CC(C)=CCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586944 972978499 /nfs/dbraw/zinc/97/84/99/972978499.db2.gz UUGQLNHHLVIMFV-AVGNSLFASA-N 1 3 226.364 1.373 20 0 BDADHO CC[NH2+]CCCNC(=O)[C@@H](N)C1CCCCC1 ZINC001328449365 973065948 /nfs/dbraw/zinc/06/59/48/973065948.db2.gz CVEJWKNIWQEOMH-LBPRGKRZSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@]3(CCO3)C2)CC[NH2+]1 ZINC001246828661 973120039 /nfs/dbraw/zinc/12/00/39/973120039.db2.gz FMZWIVPRJVBWCH-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874894 973265776 /nfs/dbraw/zinc/26/57/76/973265776.db2.gz WNZARWZSHAGUDY-UHFZAUJKSA-N 1 3 212.312 1.274 20 0 BDADHO CC1(C)C[C@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246998476 973795828 /nfs/dbraw/zinc/79/58/28/973795828.db2.gz XHASJDNJJNKFDA-TZMCWYRMSA-N 1 3 249.402 1.859 20 0 BDADHO CCN1CC[C@@H]([N@H+](CCCN)C(C)C)CC1=O ZINC001172024114 974281802 /nfs/dbraw/zinc/28/18/02/974281802.db2.gz VEGWLCORNBXHOW-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO CCN1CC[C@@H]([N@@H+](CCCN)C(C)C)CC1=O ZINC001172024114 974281814 /nfs/dbraw/zinc/28/18/14/974281814.db2.gz VEGWLCORNBXHOW-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO C[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001330579043 974332901 /nfs/dbraw/zinc/33/29/01/974332901.db2.gz VTGMIBZGJWQUQJ-NSHDSACASA-N 1 3 243.395 1.079 20 0 BDADHO CN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172114697 974384414 /nfs/dbraw/zinc/38/44/14/974384414.db2.gz SIIUCMHNGYLTJW-WDNDVIMCSA-N 1 3 237.391 1.249 20 0 BDADHO CCC[N@H+](CCCN)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218380 974444519 /nfs/dbraw/zinc/44/45/19/974444519.db2.gz SMPJUDNIKYNJIX-YHWZYXNKSA-N 1 3 226.364 1.757 20 0 BDADHO CCC[N@@H+](CCCN)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218380 974444523 /nfs/dbraw/zinc/44/45/23/974444523.db2.gz SMPJUDNIKYNJIX-YHWZYXNKSA-N 1 3 226.364 1.757 20 0 BDADHO CC[C@@H](C)OCC[C@@H](C)NC1(C[NH3+])CC1 ZINC001172348587 974617989 /nfs/dbraw/zinc/61/79/89/974617989.db2.gz IUJQQFLZCOYJEM-GHMZBOCLSA-N 1 3 214.353 1.661 20 0 BDADHO CCCC[C@H](COC)NCC[C@H](C)[NH2+]C ZINC001331821948 974827896 /nfs/dbraw/zinc/82/78/96/974827896.db2.gz OTEADSGUKCKFLN-NWDGAFQWSA-N 1 3 216.369 1.779 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN)CC1 ZINC001172802964 974956398 /nfs/dbraw/zinc/95/63/98/974956398.db2.gz ZHSSUKQEYQEBAF-UTUOFQBUSA-N 1 3 242.363 1.293 20 0 BDADHO CC[NH+](CC)C1CCC(N2CCOCC2)CC1 ZINC001173108251 975024194 /nfs/dbraw/zinc/02/41/94/975024194.db2.gz HOYCNSIGNIUOJE-UHFFFAOYSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)(C[NH3+])N[C@@H]1CCc2ncsc2C1 ZINC001173122367 975032085 /nfs/dbraw/zinc/03/20/85/975032085.db2.gz YUSPVUZBXCXLGM-MRVPVSSYSA-N 1 3 225.361 1.327 20 0 BDADHO CC(C)(C[NH3+])N[C@H]1CCc2ncsc2C1 ZINC001173122368 975032725 /nfs/dbraw/zinc/03/27/25/975032725.db2.gz YUSPVUZBXCXLGM-QMMMGPOBSA-N 1 3 225.361 1.327 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC001173170023 975062642 /nfs/dbraw/zinc/06/26/42/975062642.db2.gz IENPGKILGLVKHE-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC001173170023 975062644 /nfs/dbraw/zinc/06/26/44/975062644.db2.gz IENPGKILGLVKHE-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO CCCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC001333319911 975654064 /nfs/dbraw/zinc/65/40/64/975654064.db2.gz KQFGRRBLDSSGSB-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC(=O)OC[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001335465595 977074196 /nfs/dbraw/zinc/07/41/96/977074196.db2.gz KJTXKLZABBCQBB-HOSYDEDBSA-N 1 3 228.336 1.010 20 0 BDADHO CC(=O)OC[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001335465595 977074209 /nfs/dbraw/zinc/07/42/09/977074209.db2.gz KJTXKLZABBCQBB-HOSYDEDBSA-N 1 3 228.336 1.010 20 0 BDADHO CC(C)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176985987 978268720 /nfs/dbraw/zinc/26/87/20/978268720.db2.gz AOIXLXDLYOUMAA-UHFFFAOYSA-N 1 3 243.395 1.079 20 0 BDADHO c1c(CN2CC[C@@H]3[NH2+]CC[C@H]32)nc2cc[nH]cc1-2 ZINC001235045541 978962362 /nfs/dbraw/zinc/96/23/62/978962362.db2.gz UMIVFQFYCQCQIM-UONOGXRCSA-N 1 3 242.326 1.499 20 0 BDADHO c1c2cnccc2[nH]c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235045541 978962366 /nfs/dbraw/zinc/96/23/66/978962366.db2.gz UMIVFQFYCQCQIM-UONOGXRCSA-N 1 3 242.326 1.499 20 0 BDADHO OCCCC[N@@H+]1CCCCC12CCNCC2 ZINC001235190434 978992715 /nfs/dbraw/zinc/99/27/15/978992715.db2.gz IBXQYFFKCRJQKH-UHFFFAOYSA-N 1 3 226.364 1.367 20 0 BDADHO OCCCC[N@H+]1CCCCC12CCNCC2 ZINC001235190434 978992722 /nfs/dbraw/zinc/99/27/22/978992722.db2.gz IBXQYFFKCRJQKH-UHFFFAOYSA-N 1 3 226.364 1.367 20 0 BDADHO c1ncc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235229462 978998525 /nfs/dbraw/zinc/99/85/25/978998525.db2.gz MNRMFERZRLTLNB-CQSZACIVSA-N 1 3 248.374 1.764 20 0 BDADHO OCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235400442 979035093 /nfs/dbraw/zinc/03/50/93/979035093.db2.gz CZEYOMUXEVVLRL-OLZOCXBDSA-N 1 3 244.354 1.173 20 0 BDADHO OCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235400442 979035100 /nfs/dbraw/zinc/03/51/00/979035100.db2.gz CZEYOMUXEVVLRL-OLZOCXBDSA-N 1 3 244.354 1.173 20 0 BDADHO OCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400442 979035107 /nfs/dbraw/zinc/03/51/07/979035107.db2.gz CZEYOMUXEVVLRL-OLZOCXBDSA-N 1 3 244.354 1.173 20 0 BDADHO O=C(CC[NH2+]C1CC1)Nc1cccc2c1CNC2 ZINC001340881848 979139190 /nfs/dbraw/zinc/13/91/90/979139190.db2.gz QALBHRJANFFNRY-UHFFFAOYSA-N 1 3 245.326 1.370 20 0 BDADHO CC[C@H]([NH3+])CN1CCN[C@@H](c2ccccc2)C1 ZINC001235857975 979174473 /nfs/dbraw/zinc/17/44/73/979174473.db2.gz BZGSMUOYLFFKNJ-UONOGXRCSA-N 1 3 233.359 1.370 20 0 BDADHO CC(C)N(CC[NH3+])C[C@H]1[C@H](C)CNCC1(F)F ZINC001235948626 979216910 /nfs/dbraw/zinc/21/69/10/979216910.db2.gz RHVBHVJPXXYIST-MNOVXSKESA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@H+](CCN)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235948626 979216917 /nfs/dbraw/zinc/21/69/17/979216917.db2.gz RHVBHVJPXXYIST-MNOVXSKESA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@@H+](CCN)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235948626 979216923 /nfs/dbraw/zinc/21/69/23/979216923.db2.gz RHVBHVJPXXYIST-MNOVXSKESA-N 1 3 249.349 1.146 20 0 BDADHO CN(C[C@H]1CC1(C)C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235959497 979229969 /nfs/dbraw/zinc/22/99/69/979229969.db2.gz VWZHQINYULHSRM-MNOVXSKESA-N 1 3 226.364 1.689 20 0 BDADHO C[C@@H]1C[C@@H](CN2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@H](C)O1 ZINC001235978896 979251316 /nfs/dbraw/zinc/25/13/16/979251316.db2.gz LOVZQEMIDWUCOT-ZUWCUPBKSA-N 1 3 238.375 1.613 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001341594736 979484909 /nfs/dbraw/zinc/48/49/09/979484909.db2.gz ROHWDKYAIUTFCC-GRYCIOLGSA-N 1 3 241.379 1.090 20 0 BDADHO CC[NH2+]CCN(C)CCN(C)Cc1ccccc1 ZINC001236309011 979514921 /nfs/dbraw/zinc/51/49/21/979514921.db2.gz ZTRYFYGNSAPTHL-UHFFFAOYSA-N 1 3 249.402 1.660 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001341670052 979517947 /nfs/dbraw/zinc/51/79/47/979517947.db2.gz BRVVHFCOXJAZAF-ZYHUDNBSSA-N 1 3 249.358 1.847 20 0 BDADHO Cc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nn1C ZINC001236315544 979527136 /nfs/dbraw/zinc/52/71/36/979527136.db2.gz KVOOWDUKEOWIGH-BETUJISGSA-N 1 3 248.374 1.160 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766313 979553011 /nfs/dbraw/zinc/55/30/11/979553011.db2.gz NOXHDGSLFHVKNN-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](N)C[N@H+](C)CCCc1ccncc1 ZINC001236861304 979767463 /nfs/dbraw/zinc/76/74/63/979767463.db2.gz ZRULGQPFSKMXGM-ZDUSSCGKSA-N 1 3 221.348 1.683 20 0 BDADHO CC[C@H](N)C[N@@H+](C)CCCc1ccncc1 ZINC001236861304 979767470 /nfs/dbraw/zinc/76/74/70/979767470.db2.gz ZRULGQPFSKMXGM-ZDUSSCGKSA-N 1 3 221.348 1.683 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001184387968 980057825 /nfs/dbraw/zinc/05/78/25/980057825.db2.gz OCCXOEJXKHLHGN-RWMBFGLXSA-N 1 3 210.365 1.962 20 0 BDADHO CCC[NH2+]CCN(CC)C(=O)[C@H](CC)N(C)C ZINC001273609671 980939234 /nfs/dbraw/zinc/93/92/34/980939234.db2.gz CCHFCSLZQFNEGR-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO Cc1ccccc1C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205664111 981807274 /nfs/dbraw/zinc/80/72/74/981807274.db2.gz LTLGQLJHEJQSGS-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1ccccc1C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205664111 981807280 /nfs/dbraw/zinc/80/72/80/981807280.db2.gz LTLGQLJHEJQSGS-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1ccccc1C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205664112 981807969 /nfs/dbraw/zinc/80/79/69/981807969.db2.gz LTLGQLJHEJQSGS-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1ccccc1C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205664112 981807974 /nfs/dbraw/zinc/80/79/74/981807974.db2.gz LTLGQLJHEJQSGS-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO OCc1cnccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001351950554 982413237 /nfs/dbraw/zinc/41/32/37/982413237.db2.gz PXIDVAWNEGGDQF-OLZOCXBDSA-N 1 3 247.342 1.035 20 0 BDADHO OCc1cnccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001351950554 982413240 /nfs/dbraw/zinc/41/32/40/982413240.db2.gz PXIDVAWNEGGDQF-OLZOCXBDSA-N 1 3 247.342 1.035 20 0 BDADHO COCCOC[C@H](C)[NH2+]CCCN1CCCC1 ZINC001352010954 982433532 /nfs/dbraw/zinc/43/35/32/982433532.db2.gz DYIFLLFPOUSNCY-ZDUSSCGKSA-N 1 3 244.379 1.113 20 0 BDADHO COCCOC[C@H](C)NCCC[NH+]1CCCC1 ZINC001352010954 982433539 /nfs/dbraw/zinc/43/35/39/982433539.db2.gz DYIFLLFPOUSNCY-ZDUSSCGKSA-N 1 3 244.379 1.113 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)nc(N)n1 ZINC001354393914 983298837 /nfs/dbraw/zinc/29/88/37/983298837.db2.gz DCBQEIRGAURPRI-GMTAPVOTSA-N 1 3 247.346 1.119 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)nc(N)n1 ZINC001354393914 983298845 /nfs/dbraw/zinc/29/88/45/983298845.db2.gz DCBQEIRGAURPRI-GMTAPVOTSA-N 1 3 247.346 1.119 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3cc[nH]n3)C[C@H]2C1 ZINC001355374933 983480771 /nfs/dbraw/zinc/48/07/71/983480771.db2.gz WCNKMRYJLALQRJ-YRGRVCCFSA-N 1 3 248.374 1.572 20 0 BDADHO CC(C)[NH+]1CCC(N2CC(N(C)C)C2)CC1 ZINC000149608722 983950421 /nfs/dbraw/zinc/95/04/21/983950421.db2.gz GKRVPBOCXXLRJB-UHFFFAOYSA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@]1(C[NH2+][C@H]2C[C@H](N)C2)CCCS1 ZINC001576526107 984171708 /nfs/dbraw/zinc/17/17/08/984171708.db2.gz NJUUXLOYWZORJL-GUBZILKMSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@@]1(CN[C@H]2C[C@H]([NH3+])C2)CCCS1 ZINC001576526107 984171720 /nfs/dbraw/zinc/17/17/20/984171720.db2.gz NJUUXLOYWZORJL-GUBZILKMSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@@]1(NCCC[NH2+]C2CC2)CCO[C@H]1C1CC1 ZINC001576545532 984174021 /nfs/dbraw/zinc/17/40/21/984174021.db2.gz NNDSSCFCROUGJL-UONOGXRCSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@]1([NH2+]CCCNC2CC2)CCO[C@H]1C1CC1 ZINC001576545532 984174024 /nfs/dbraw/zinc/17/40/24/984174024.db2.gz NNDSSCFCROUGJL-UONOGXRCSA-N 1 3 238.375 1.676 20 0 BDADHO COC(=O)C[C@@H]1C[N@H+](CC(C)(C)CN)C[C@H]1C ZINC001578815364 984229931 /nfs/dbraw/zinc/22/99/31/984229931.db2.gz QOOCDXLANKIGIR-GHMZBOCLSA-N 1 3 242.363 1.102 20 0 BDADHO COC(=O)C[C@@H]1C[N@@H+](CC(C)(C)CN)C[C@H]1C ZINC001578815364 984229950 /nfs/dbraw/zinc/22/99/50/984229950.db2.gz QOOCDXLANKIGIR-GHMZBOCLSA-N 1 3 242.363 1.102 20 0 BDADHO CC[C@H](C)CN1CC2(CCN2CC[NH+](C)C)C1 ZINC001275064473 984462343 /nfs/dbraw/zinc/46/23/43/984462343.db2.gz HKQNGYHWDYDPNQ-ZDUSSCGKSA-N 1 3 239.407 1.354 20 0 BDADHO C[N@@H+]1CCCC2(CCN(Cc3cn[nH]c3)CC2)C1 ZINC001275210969 984520009 /nfs/dbraw/zinc/52/00/09/984520009.db2.gz HXZFVQHOZYDHDN-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO C[N@H+]1CCCC2(CCN(Cc3cn[nH]c3)CC2)C1 ZINC001275210969 984520022 /nfs/dbraw/zinc/52/00/22/984520022.db2.gz HXZFVQHOZYDHDN-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO OCc1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC001580884529 984616133 /nfs/dbraw/zinc/61/61/33/984616133.db2.gz GMCMCBLEAQGRID-CABCVRRESA-N 1 3 246.354 1.220 20 0 BDADHO CC[N@H+](CC[C@H](O)C(C)C)C1CCNCC1 ZINC001577710834 984646070 /nfs/dbraw/zinc/64/60/70/984646070.db2.gz CRDIWZNBXKPQOY-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO CC[N@@H+](CC[C@H](O)C(C)C)C1CCNCC1 ZINC001577710834 984646093 /nfs/dbraw/zinc/64/60/93/984646093.db2.gz CRDIWZNBXKPQOY-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC[C@H](O)C(C)C)C1CC[NH2+]CC1 ZINC001577710834 984646113 /nfs/dbraw/zinc/64/61/13/984646113.db2.gz CRDIWZNBXKPQOY-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO CCOC(=O)CCN(CC1(C[NH3+])CC1)C1CC1 ZINC001577948495 984827573 /nfs/dbraw/zinc/82/75/73/984827573.db2.gz GGEIDUULNFLULT-UHFFFAOYSA-N 1 3 240.347 1.143 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578093273 984844170 /nfs/dbraw/zinc/84/41/70/984844170.db2.gz GORUZEDORXTPCM-FIQHERPVSA-N 1 3 224.348 1.413 20 0 BDADHO CCO[C@@H]1CCC[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC001578151666 984857615 /nfs/dbraw/zinc/85/76/15/984857615.db2.gz ZFDAILGJDIBXPZ-MVWJERBFSA-N 1 3 212.337 1.142 20 0 BDADHO CN(C)Cc1ccccc1NC(=O)[C@H]1C[C@H]1[NH3+] ZINC001578420972 985058156 /nfs/dbraw/zinc/05/81/56/985058156.db2.gz IJDLRECPUKOEJR-WDEREUQCSA-N 1 3 233.315 1.034 20 0 BDADHO C[N@H+](CCCN)CCCCCn1cccn1 ZINC001578466714 985099775 /nfs/dbraw/zinc/09/97/75/985099775.db2.gz RQRNQHUIILBTMP-UHFFFAOYSA-N 1 3 224.352 1.334 20 0 BDADHO C[N@@H+](CCCN)CCCCCn1cccn1 ZINC001578466714 985099783 /nfs/dbraw/zinc/09/97/83/985099783.db2.gz RQRNQHUIILBTMP-UHFFFAOYSA-N 1 3 224.352 1.334 20 0 BDADHO CN(CCC[NH3+])CCCCCn1cccn1 ZINC001578466714 985099795 /nfs/dbraw/zinc/09/97/95/985099795.db2.gz RQRNQHUIILBTMP-UHFFFAOYSA-N 1 3 224.352 1.334 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622342 985237928 /nfs/dbraw/zinc/23/79/28/985237928.db2.gz SCGWUHOIHVAJQI-AAEUAGOBSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622342 985237943 /nfs/dbraw/zinc/23/79/43/985237943.db2.gz SCGWUHOIHVAJQI-AAEUAGOBSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@@H](O)C(C)C)C1 ZINC001578656330 985277298 /nfs/dbraw/zinc/27/72/98/985277298.db2.gz IWBYACLFZIWTDK-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001578687530 985298592 /nfs/dbraw/zinc/29/85/92/985298592.db2.gz WKMMVLCTPAGETR-WCQYABFASA-N 1 3 236.363 1.065 20 0 BDADHO COC(=O)C1(CN(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC001578781341 985349888 /nfs/dbraw/zinc/34/98/88/985349888.db2.gz OFHBKLGPBPAZIL-LLVKDONJSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)c1cccc(C[NH2+]C(C)(C)CN)c1 ZINC001578875574 985441437 /nfs/dbraw/zinc/44/14/37/985441437.db2.gz OWKNGTPMSXQKBB-UHFFFAOYSA-N 1 3 236.315 1.300 20 0 BDADHO CO[C@@](C)(CO)C[NH2+]C[C@@H](N)CCC(C)(C)C ZINC001578896295 985479571 /nfs/dbraw/zinc/47/95/71/985479571.db2.gz LLFYNPJJYMLLCF-WCQYABFASA-N 1 3 246.395 1.127 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578936459 985540190 /nfs/dbraw/zinc/54/01/90/985540190.db2.gz DIMCNVRSPQIPFT-WYUUTHIRSA-N 1 3 212.337 1.413 20 0 BDADHO COC[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001578961040 985579680 /nfs/dbraw/zinc/57/96/80/985579680.db2.gz SPJLGHZOMNMUNL-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO COCC[C@@H](C)C[NH2+]CC1(CN)CCC1 ZINC001578994300 985619885 /nfs/dbraw/zinc/61/98/85/985619885.db2.gz FCKFWJLWBLTVQJ-LLVKDONJSA-N 1 3 214.353 1.378 20 0 BDADHO COCC1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC001578986788 985611454 /nfs/dbraw/zinc/61/14/54/985611454.db2.gz PMTDFQBNVIKQMY-ANRVXECHSA-N 1 3 212.337 1.271 20 0 BDADHO COCC[C@H]([NH3+])CNC[C@@H](C)c1ccccn1 ZINC001579003059 985664745 /nfs/dbraw/zinc/66/47/45/985664745.db2.gz XISIKYNTZVQJFC-NEPJUHHUSA-N 1 3 237.347 1.139 20 0 BDADHO COc1cccc(C[C@@H](C)NC(C)(C)C[NH3+])n1 ZINC001579269130 985825471 /nfs/dbraw/zinc/82/54/71/985825471.db2.gz NQGDCQFEACBLKC-SNVBAGLBSA-N 1 3 237.347 1.348 20 0 BDADHO CSC1(C[NH+]2CCC(N)(CO)CC2)CCC1 ZINC001579365531 985860721 /nfs/dbraw/zinc/86/07/21/985860721.db2.gz PMIBINKSBZKYJW-UHFFFAOYSA-N 1 3 244.404 1.058 20 0 BDADHO [NH3+]C[C@H]1CCCCN(Cc2ccc[nH]2)C1 ZINC001206606750 985935202 /nfs/dbraw/zinc/93/52/02/985935202.db2.gz RPRYUTKQQDYTGJ-LLVKDONJSA-N 1 3 207.321 1.576 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001579467706 985966471 /nfs/dbraw/zinc/96/64/71/985966471.db2.gz VOVQZJUZGUGJTJ-QNWJLWSRSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC001579470773 985977005 /nfs/dbraw/zinc/97/70/05/985977005.db2.gz DHGRRWQZLSJZJT-HDLKOFKZSA-N 1 3 206.333 1.230 20 0 BDADHO C[C@@H]1C[C@H](CN(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)O1 ZINC001579492789 986025658 /nfs/dbraw/zinc/02/56/58/986025658.db2.gz YTSUNUURBLCYJN-ALUZDYTJSA-N 1 3 238.375 1.340 20 0 BDADHO Cc1ccc(C[C@H](C)[NH2+]C[C@H]2CCN2)cc1 ZINC001579684933 986177714 /nfs/dbraw/zinc/17/77/14/986177714.db2.gz ZDEAPVVXPLMKQB-GXTWGEPZSA-N 1 3 218.344 1.878 20 0 BDADHO Cc1ccc(CCC[N@H+](CCN)CCO)cc1 ZINC001579685470 986179898 /nfs/dbraw/zinc/17/98/98/986179898.db2.gz OGICXXVSMXVQOW-UHFFFAOYSA-N 1 3 236.359 1.181 20 0 BDADHO Cc1ccc(CCC[N@@H+](CCN)CCO)cc1 ZINC001579685470 986179916 /nfs/dbraw/zinc/17/99/16/986179916.db2.gz OGICXXVSMXVQOW-UHFFFAOYSA-N 1 3 236.359 1.181 20 0 BDADHO Cc1nccnc1[C@@H](C)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001579882583 986300432 /nfs/dbraw/zinc/30/04/32/986300432.db2.gz AQDZXCMIKXKIKS-JJOYANBFSA-N 1 3 232.331 1.315 20 0 BDADHO O=c1ccc(CNC[C@@H]2C[NH+]3CCC2CC3)c[nH]1 ZINC001462637222 986470716 /nfs/dbraw/zinc/47/07/16/986470716.db2.gz RDXANDYUWJDZTE-CYBMUJFWSA-N 1 3 247.342 1.219 20 0 BDADHO O=c1ccc(C[NH2+]C[C@@H]2CN3CCC2CC3)c[nH]1 ZINC001462637222 986470744 /nfs/dbraw/zinc/47/07/44/986470744.db2.gz RDXANDYUWJDZTE-CYBMUJFWSA-N 1 3 247.342 1.219 20 0 BDADHO FC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000689421601 986592706 /nfs/dbraw/zinc/59/27/06/986592706.db2.gz LZFBYXRWNUAFGE-LLVKDONJSA-N 1 3 214.328 1.810 20 0 BDADHO NC1CC([NH2+]C[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001580162623 986634285 /nfs/dbraw/zinc/63/42/85/986634285.db2.gz CIZGRQFQESYBAO-WTIISPKJSA-N 1 3 208.349 1.892 20 0 BDADHO [NH3+]C1CC(N[C@@H](CO)CC2CCCC2)C1 ZINC001580162515 986634888 /nfs/dbraw/zinc/63/48/88/986634888.db2.gz BFUVFJPYYWPVEQ-HTAVTVPLSA-N 1 3 212.337 1.007 20 0 BDADHO CN1CCC[C@H]([NH+]2CCC3(COC3)CC2)CC1 ZINC001254516250 986653221 /nfs/dbraw/zinc/65/32/21/986653221.db2.gz LEXLYCAIBSHYSH-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO [NH3+]C[C@@]12CN(Cc3cnc[nH]3)C[C@@H]1CCCC2 ZINC001580256900 986711525 /nfs/dbraw/zinc/71/15/25/986711525.db2.gz ZOXQHRWNIHMLCE-AAEUAGOBSA-N 1 3 234.347 1.361 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580423457 986842513 /nfs/dbraw/zinc/84/25/13/986842513.db2.gz ZPOXHQZKSCVOSD-PPCPHDFISA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580423457 986842518 /nfs/dbraw/zinc/84/25/18/986842518.db2.gz ZPOXHQZKSCVOSD-PPCPHDFISA-N 1 3 236.359 1.413 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CC(C)(N(C)C)C1 ZINC001255964423 987102622 /nfs/dbraw/zinc/10/26/22/987102622.db2.gz SBSGGEOIEZUADZ-ZDUSSCGKSA-N 1 3 241.423 1.743 20 0 BDADHO CCCCC[C@H](O)CNC[C@H]1CCC[NH2+][C@H]1C ZINC001245983195 987242522 /nfs/dbraw/zinc/24/25/22/987242522.db2.gz NLLVJWKBGUJTOE-MJBXVCDLSA-N 1 3 242.407 1.905 20 0 BDADHO CCCCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@@H]1C ZINC001245983196 987243646 /nfs/dbraw/zinc/24/36/46/987243646.db2.gz NLLVJWKBGUJTOE-RDBSUJKOSA-N 1 3 242.407 1.905 20 0 BDADHO CCCC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245977552 987254617 /nfs/dbraw/zinc/25/46/17/987254617.db2.gz YKRCFRNJSAVHKV-LLVKDONJSA-N 1 3 214.353 1.399 20 0 BDADHO CCCC[C@@H](O)CNCC1([NH3+])CCCC1 ZINC001245977552 987254630 /nfs/dbraw/zinc/25/46/30/987254630.db2.gz YKRCFRNJSAVHKV-LLVKDONJSA-N 1 3 214.353 1.399 20 0 BDADHO C[C@H]([NH3+])CCNC[C@H](O)c1ccc(F)c(F)c1 ZINC001245990864 987271273 /nfs/dbraw/zinc/27/12/73/987271273.db2.gz BKSWWKBJLYDLRD-UFBFGSQYSA-N 1 3 244.285 1.325 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001246006830 987287148 /nfs/dbraw/zinc/28/71/48/987287148.db2.gz VTMDDZFPUQAQAC-SKDRFNHKSA-N 1 3 244.285 1.325 20 0 BDADHO C[C@]1([NH3+])CCCN(C[C@@H](O)c2ccccc2)CC1 ZINC001246022917 987314769 /nfs/dbraw/zinc/31/47/69/987314769.db2.gz QYFVLABNFKUADZ-CABCVRRESA-N 1 3 248.370 1.923 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693758746 987314993 /nfs/dbraw/zinc/31/49/93/987314993.db2.gz CMSDJNUBCWJVRW-WISYIIOYSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](CCO)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693758746 987315000 /nfs/dbraw/zinc/31/50/00/987315000.db2.gz CMSDJNUBCWJVRW-WISYIIOYSA-N 1 3 226.364 1.124 20 0 BDADHO c1nc2c(s1)C[C@H]([NH2+]C1CCNCC1)CC2 ZINC001246072949 987361660 /nfs/dbraw/zinc/36/16/60/987361660.db2.gz NJYNPHPTQVBKBN-SNVBAGLBSA-N 1 3 237.372 1.342 20 0 BDADHO c1nc2c(s1)C[C@H](NC1CC[NH2+]CC1)CC2 ZINC001246072949 987361668 /nfs/dbraw/zinc/36/16/68/987361668.db2.gz NJYNPHPTQVBKBN-SNVBAGLBSA-N 1 3 237.372 1.342 20 0 BDADHO C[C@H](Cc1ccncc1)NCC1([NH3+])CCCC1 ZINC001246073991 987365643 /nfs/dbraw/zinc/36/56/43/987365643.db2.gz ANSHZFPKIYWABC-GFCCVEGCSA-N 1 3 233.359 1.874 20 0 BDADHO Cc1cc(NCC[C@H](C)[NH+](C)C)nc(N)n1 ZINC000697823574 987365915 /nfs/dbraw/zinc/36/59/15/987365915.db2.gz WRFVERBRZOVDSY-VIFPVBQESA-N 1 3 223.324 1.119 20 0 BDADHO O[C@@]1(C[NH2+]C2CCCCCC2)CCNC[C@@H]1F ZINC001246078516 987366808 /nfs/dbraw/zinc/36/68/08/987366808.db2.gz BAOSBFYUBJGCCA-QWHCGFSZSA-N 1 3 244.354 1.361 20 0 BDADHO O=C1C[C@H]2CC([NH2+]C3CCNCC3)C[C@@H]2C1 ZINC001246082042 987377594 /nfs/dbraw/zinc/37/75/94/987377594.db2.gz VQVPYWCOAFQHAI-NXEZZACHSA-N 1 3 222.332 1.086 20 0 BDADHO CC[C@H](CC(C)C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246086533 987385040 /nfs/dbraw/zinc/38/50/40/987385040.db2.gz DCZZSJLCJQSUHB-FRRDWIJNSA-N 1 3 246.370 1.463 20 0 BDADHO C[C@H]1CC[C@H](N[C@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246087655 987390398 /nfs/dbraw/zinc/39/03/98/987390398.db2.gz ZRWMARUUHFEZHX-BJDJZHNGSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1CC(N[C@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC001246089957 987392581 /nfs/dbraw/zinc/39/25/81/987392581.db2.gz IEGSGNZHRIRSFQ-UTUOFQBUSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2CCCOC2)C1 ZINC001246099656 987416488 /nfs/dbraw/zinc/41/64/88/987416488.db2.gz MGMAEDHOTSTBQF-SDDRHHMPSA-N 1 3 212.337 1.001 20 0 BDADHO CC[C@H](C)OCC[C@H](C)N[C@H]1CC[NH2+]C[C@H]1F ZINC001246103004 987427051 /nfs/dbraw/zinc/42/70/51/987427051.db2.gz XUKFDXXLACDIIX-RVMXOQNASA-N 1 3 246.370 1.870 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2CCCOCC2)[NH2+]C1 ZINC001246104105 987430341 /nfs/dbraw/zinc/43/03/41/987430341.db2.gz JHYMXCWWMMDJIS-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1OCC[C@H]1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246109917 987440905 /nfs/dbraw/zinc/44/09/05/987440905.db2.gz LDXPCXBBXPGRGY-USZNOCQGSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H]1OCC[C@H]1C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246112585 987447790 /nfs/dbraw/zinc/44/77/90/987447790.db2.gz QHSWPFVNNGTBHW-WHOHXGKFSA-N 1 3 212.337 1.142 20 0 BDADHO COC1CCC(NC[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246113316 987451321 /nfs/dbraw/zinc/45/13/21/987451321.db2.gz NRQAJKNHTAAMKO-NELGMTEASA-N 1 3 240.391 1.922 20 0 BDADHO CCOCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116050 987456293 /nfs/dbraw/zinc/45/62/93/987456293.db2.gz DDTONTKGNMCQSY-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1COC(C)(C)C1 ZINC001246118009 987465450 /nfs/dbraw/zinc/46/54/50/987465450.db2.gz DUBCJCGSPQBKCD-GRYCIOLGSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](N)c1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC001246121890 987468023 /nfs/dbraw/zinc/46/80/23/987468023.db2.gz UYTBTCKRFYUYIB-WDEREUQCSA-N 1 3 244.342 1.981 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246129751 987477926 /nfs/dbraw/zinc/47/79/26/987477926.db2.gz HVYKHKKGEDMLPD-IJLUTSLNSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246129599 987479528 /nfs/dbraw/zinc/47/95/28/987479528.db2.gz GFHAUDMMXKBOFW-IJLUTSLNSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@H](Nc2cccc(F)c2CN)CC[NH2+]1 ZINC001246173814 987540689 /nfs/dbraw/zinc/54/06/89/987540689.db2.gz VTUTWHIRYGSFSZ-NXEZZACHSA-N 1 3 237.322 1.837 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCn2cccc2)CCN1 ZINC001246174464 987542932 /nfs/dbraw/zinc/54/29/32/987542932.db2.gz QKTGAOMMLBVJDJ-VXGBXAGGSA-N 1 3 207.321 1.218 20 0 BDADHO C[C@@H]1C[C@H](NCCn2cccc2)CC[NH2+]1 ZINC001246174464 987542952 /nfs/dbraw/zinc/54/29/52/987542952.db2.gz QKTGAOMMLBVJDJ-VXGBXAGGSA-N 1 3 207.321 1.218 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCc2ccncc2)CCN1 ZINC001246176249 987543506 /nfs/dbraw/zinc/54/35/06/987543506.db2.gz NUQDSWOGAVPHQO-JSGCOSHPSA-N 1 3 233.359 1.744 20 0 BDADHO CC(C)[C@@H](O)CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473843879 987571681 /nfs/dbraw/zinc/57/16/81/987571681.db2.gz OGFFPACOXPYTHE-RDBSUJKOSA-N 1 3 240.391 1.277 20 0 BDADHO CC(C)[C@@H](O)CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473843879 987571685 /nfs/dbraw/zinc/57/16/85/987571685.db2.gz OGFFPACOXPYTHE-RDBSUJKOSA-N 1 3 240.391 1.277 20 0 BDADHO c1ccc(C2(CNC3CC[NH2+]CC3)COC2)cc1 ZINC001246192095 987578841 /nfs/dbraw/zinc/57/88/41/987578841.db2.gz YYNMWBGMRHEZAD-UHFFFAOYSA-N 1 3 246.354 1.296 20 0 BDADHO c1ccc(C2(C[NH2+]C3CCNCC3)COC2)cc1 ZINC001246192095 987578863 /nfs/dbraw/zinc/57/88/63/987578863.db2.gz YYNMWBGMRHEZAD-UHFFFAOYSA-N 1 3 246.354 1.296 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246219996 987615922 /nfs/dbraw/zinc/61/59/22/987615922.db2.gz BXLPBDGIAYMQSM-KIJLLGNVSA-N 1 3 208.349 1.905 20 0 BDADHO CN(C)c1ccncc1CNCC[NH+]1CCCC1 ZINC001473915236 987617404 /nfs/dbraw/zinc/61/74/04/987617404.db2.gz MSSHQNQQPOEWLL-UHFFFAOYSA-N 1 3 248.374 1.333 20 0 BDADHO CN(C)c1ccncc1C[NH2+]CCN1CCCC1 ZINC001473915236 987617408 /nfs/dbraw/zinc/61/74/08/987617408.db2.gz MSSHQNQQPOEWLL-UHFFFAOYSA-N 1 3 248.374 1.333 20 0 BDADHO OC[C@H](CC1CCCCC1)[NH2+]C1CCNCC1 ZINC001246229704 987625186 /nfs/dbraw/zinc/62/51/86/987625186.db2.gz LOPINXSDJWQRTR-AWEZNQCLSA-N 1 3 240.391 1.659 20 0 BDADHO OC[C@H](CC1CCCCC1)NC1CC[NH2+]CC1 ZINC001246229704 987625189 /nfs/dbraw/zinc/62/51/89/987625189.db2.gz LOPINXSDJWQRTR-AWEZNQCLSA-N 1 3 240.391 1.659 20 0 BDADHO Cc1ccnc(CCN[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246255133 987652272 /nfs/dbraw/zinc/65/22/72/987652272.db2.gz KJCJQBDDQBBLTP-TZMCWYRMSA-N 1 3 233.359 1.663 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2Cc3ccccc3CN2)C[NH2+]1 ZINC001246276977 987669711 /nfs/dbraw/zinc/66/97/11/987669711.db2.gz GPKNZODMKIPFGV-BYCMXARLSA-N 1 3 245.370 1.041 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2Cc3ccccc3CN2)C[NH2+]1 ZINC001246276980 987669976 /nfs/dbraw/zinc/66/99/76/987669976.db2.gz GPKNZODMKIPFGV-KCPJHIHWSA-N 1 3 245.370 1.041 20 0 BDADHO O=C(CC[NH2+]C1CCNCC1)c1ccccc1 ZINC001246277477 987672569 /nfs/dbraw/zinc/67/25/69/987672569.db2.gz HSETWQXCTFMGDR-UHFFFAOYSA-N 1 3 232.327 1.601 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CNC[C@H]2CO)CC(C)(C)C1 ZINC001246304069 987701328 /nfs/dbraw/zinc/70/13/28/987701328.db2.gz GSBYPXQEGNUHOA-MROQNXINSA-N 1 3 240.391 1.371 20 0 BDADHO O=C1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246307219 987703109 /nfs/dbraw/zinc/70/31/09/987703109.db2.gz KWDVMHFFYYTDKB-YIBTVLSRSA-N 1 3 222.332 1.371 20 0 BDADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CNC[C@H]1CO ZINC001246309716 987707126 /nfs/dbraw/zinc/70/71/26/987707126.db2.gz SSJRWEWKSUUPNG-JSGCOSHPSA-N 1 3 242.407 1.617 20 0 BDADHO CO[C@H](C)CNCC1(C[NH+](C)C)CCCC1 ZINC001474426067 987718679 /nfs/dbraw/zinc/71/86/79/987718679.db2.gz QWQDEQOOCXRDGM-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCNCC1 ZINC001246345543 987757410 /nfs/dbraw/zinc/75/74/10/987757410.db2.gz FNCAJIFRVYTMJC-NSHDSACASA-N 1 3 234.343 1.665 20 0 BDADHO COC(=O)CCCC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246357419 987763732 /nfs/dbraw/zinc/76/37/32/987763732.db2.gz UJFDHWXZJUWMEZ-MNOVXSKESA-N 1 3 228.336 1.060 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246361263 987768306 /nfs/dbraw/zinc/76/83/06/987768306.db2.gz ZCXFLSMYKWROBM-WISYIIOYSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246407749 987786668 /nfs/dbraw/zinc/78/66/68/987786668.db2.gz ZJMYFCAULFHAJS-TUAOUCFPSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC12CNC2 ZINC001246442838 987793435 /nfs/dbraw/zinc/79/34/35/987793435.db2.gz FBEBONDSKPVAJP-GXFFZTMASA-N 1 3 234.318 1.708 20 0 BDADHO c1ccc(CC2(NC3CC[NH2+]CC3)CCC2)nc1 ZINC001246434539 987798495 /nfs/dbraw/zinc/79/84/95/987798495.db2.gz MFEHRLQJTKGIAD-UHFFFAOYSA-N 1 3 245.370 1.888 20 0 BDADHO c1ccc(CC2([NH2+]C3CCNCC3)CCC2)nc1 ZINC001246434539 987798503 /nfs/dbraw/zinc/79/85/03/987798503.db2.gz MFEHRLQJTKGIAD-UHFFFAOYSA-N 1 3 245.370 1.888 20 0 BDADHO CSC(C)(C)C[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246444813 987801523 /nfs/dbraw/zinc/80/15/23/987801523.db2.gz LTWKWXONHNSMMZ-UWVGGRQHSA-N 1 3 228.405 1.858 20 0 BDADHO CSC(C)(C)C[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246444813 987801526 /nfs/dbraw/zinc/80/15/26/987801526.db2.gz LTWKWXONHNSMMZ-UWVGGRQHSA-N 1 3 228.405 1.858 20 0 BDADHO CCOC1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246445272 987803783 /nfs/dbraw/zinc/80/37/83/987803783.db2.gz NKNJQARNDDDLNT-HTAVTVPLSA-N 1 3 224.348 1.286 20 0 BDADHO CCOC1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246445272 987803786 /nfs/dbraw/zinc/80/37/86/987803786.db2.gz NKNJQARNDDDLNT-HTAVTVPLSA-N 1 3 224.348 1.286 20 0 BDADHO Nc1cccc(CC[NH2+]C2CCNCC2)c1 ZINC001246468560 987825473 /nfs/dbraw/zinc/82/54/73/987825473.db2.gz YYUAAFFWKDEBCU-UHFFFAOYSA-N 1 3 219.332 1.153 20 0 BDADHO C[C@H]1C[C@H](NCC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246498655 987854080 /nfs/dbraw/zinc/85/40/80/987854080.db2.gz JCJAFZJINCZHFL-NWANDNLSSA-N 1 3 248.370 1.840 20 0 BDADHO CC(C)(C)[C@H]1C[C@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246532838 987890813 /nfs/dbraw/zinc/89/08/13/987890813.db2.gz KQFJLYIMQIDVML-NOOOWODRSA-N 1 3 243.370 1.134 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N3CC[C@](C)([NH3+])C3)C[C@@H]21 ZINC001246532810 987891490 /nfs/dbraw/zinc/89/14/90/987891490.db2.gz YJBSGXRRLURASC-NOHGZBONSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N1[C@H]1CCSC1 ZINC001246536677 987895740 /nfs/dbraw/zinc/89/57/40/987895740.db2.gz BHJGFLHLQHJCMU-GUBZILKMSA-N 1 3 200.351 1.304 20 0 BDADHO CSCC[C@H](C)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246544885 987922891 /nfs/dbraw/zinc/92/28/91/987922891.db2.gz HUOAGUZGCKBSCZ-WDEREUQCSA-N 1 3 216.394 1.941 20 0 BDADHO CSCC[C@H](C)[N@H+]1CCC[C@@H](N)CC1 ZINC001246544885 987922901 /nfs/dbraw/zinc/92/29/01/987922901.db2.gz HUOAGUZGCKBSCZ-WDEREUQCSA-N 1 3 216.394 1.941 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H](N)[C@H]1C)C2 ZINC001246551722 987954389 /nfs/dbraw/zinc/95/43/89/987954389.db2.gz VCRRNGHAUIDMNO-WDBKCZKBSA-N 1 3 246.354 1.584 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H](N)[C@H]1C)C2 ZINC001246551722 987954399 /nfs/dbraw/zinc/95/43/99/987954399.db2.gz VCRRNGHAUIDMNO-WDBKCZKBSA-N 1 3 246.354 1.584 20 0 BDADHO CCCCCC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559352 987983412 /nfs/dbraw/zinc/98/34/12/987983412.db2.gz PDRAQOGWRRBKQL-YNEHKIRRSA-N 1 3 228.380 1.739 20 0 BDADHO CCCCCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246559352 987983420 /nfs/dbraw/zinc/98/34/20/987983420.db2.gz PDRAQOGWRRBKQL-YNEHKIRRSA-N 1 3 228.380 1.739 20 0 BDADHO CCCCCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246559352 987983433 /nfs/dbraw/zinc/98/34/33/987983433.db2.gz PDRAQOGWRRBKQL-YNEHKIRRSA-N 1 3 228.380 1.739 20 0 BDADHO CCCC[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580191 988105673 /nfs/dbraw/zinc/10/56/73/988105673.db2.gz KYKMXSYOMKJKMV-SRVKXCTJSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC[C@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580191 988105684 /nfs/dbraw/zinc/10/56/84/988105684.db2.gz KYKMXSYOMKJKMV-SRVKXCTJSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC[C@@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584025 988122882 /nfs/dbraw/zinc/12/28/82/988122882.db2.gz KYJKZKLLFAPHQF-YNEHKIRRSA-N 1 3 228.380 1.597 20 0 BDADHO CCCC[C@@H](CCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584025 988122895 /nfs/dbraw/zinc/12/28/95/988122895.db2.gz KYJKZKLLFAPHQF-YNEHKIRRSA-N 1 3 228.380 1.597 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@@](F)(CO)CC2)CC[NH2+]1 ZINC001246587705 988146104 /nfs/dbraw/zinc/14/61/04/988146104.db2.gz IMNLFICENMEXTP-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(CO)CC2)CCN1 ZINC001246587705 988146115 /nfs/dbraw/zinc/14/61/15/988146115.db2.gz IMNLFICENMEXTP-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](F)(CO)CC2)CCN1 ZINC001246587705 988146119 /nfs/dbraw/zinc/14/61/19/988146119.db2.gz IMNLFICENMEXTP-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO CCCCC[C@@H](CCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587165 988146769 /nfs/dbraw/zinc/14/67/69/988146769.db2.gz VOZCRQFYGMHNEC-MJBXVCDLSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCC[C@@H](CCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587165 988146781 /nfs/dbraw/zinc/14/67/81/988146781.db2.gz VOZCRQFYGMHNEC-MJBXVCDLSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@H](CC1CC1)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246618032 988260527 /nfs/dbraw/zinc/26/05/27/988260527.db2.gz JMELYKDBHDKVCO-XBFCOCLRSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H](CC1CC1)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246618032 988260547 /nfs/dbraw/zinc/26/05/47/988260547.db2.gz JMELYKDBHDKVCO-XBFCOCLRSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630158 988303777 /nfs/dbraw/zinc/30/37/77/988303777.db2.gz HICXIBDCTQHPCA-VLEAKVRGSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630158 988303789 /nfs/dbraw/zinc/30/37/89/988303789.db2.gz HICXIBDCTQHPCA-VLEAKVRGSA-N 1 3 230.302 1.714 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246637801 988326236 /nfs/dbraw/zinc/32/62/36/988326236.db2.gz KTVRAWSLSRYGJP-UJPOAAIJSA-N 1 3 220.360 1.857 20 0 BDADHO CO[C@@H]1CCC[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641525 988346651 /nfs/dbraw/zinc/34/66/51/988346651.db2.gz JAMYRKQKNUTUBY-FVCCEPFGSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645517 988361067 /nfs/dbraw/zinc/36/10/67/988361067.db2.gz BYHCNMRWUGTRTL-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCCC3(COC3)C2)CCN1 ZINC001246645517 988361084 /nfs/dbraw/zinc/36/10/84/988361084.db2.gz BYHCNMRWUGTRTL-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]1C[C@@H](N2CCCC3(COC3)C2)CC[NH2+]1 ZINC001246645517 988361095 /nfs/dbraw/zinc/36/10/95/988361095.db2.gz BYHCNMRWUGTRTL-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N3CCN[C@]4(CC[NH2+]C4)C3)C[C@@H]21 ZINC001246645351 988367423 /nfs/dbraw/zinc/36/74/23/988367423.db2.gz UMPMPPXRRSZKEW-XFMPKHEZSA-N 1 3 249.402 1.058 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C2CCNCC2)C1 ZINC001246808098 988490405 /nfs/dbraw/zinc/49/04/05/988490405.db2.gz BJBMMNLZRNWFCH-MNOVXSKESA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](C)[N@H+](C2CCNCC2)C1 ZINC001246808098 988490414 /nfs/dbraw/zinc/49/04/14/988490414.db2.gz BJBMMNLZRNWFCH-MNOVXSKESA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246838395 988537923 /nfs/dbraw/zinc/53/79/23/988537923.db2.gz HGGLFAHUGXJBTA-WOPDTQHZSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246838395 988537934 /nfs/dbraw/zinc/53/79/34/988537934.db2.gz HGGLFAHUGXJBTA-WOPDTQHZSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246838395 988537946 /nfs/dbraw/zinc/53/79/46/988537946.db2.gz HGGLFAHUGXJBTA-WOPDTQHZSA-N 1 3 240.347 1.154 20 0 BDADHO CC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001246850131 988562375 /nfs/dbraw/zinc/56/23/75/988562375.db2.gz HDECSRSKWOVIKJ-NSHDSACASA-N 1 3 210.321 1.039 20 0 BDADHO CC(=O)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001246850131 988562388 /nfs/dbraw/zinc/56/23/88/988562388.db2.gz HDECSRSKWOVIKJ-NSHDSACASA-N 1 3 210.321 1.039 20 0 BDADHO C[C@H](Cc1ccco1)[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246850703 988565349 /nfs/dbraw/zinc/56/53/49/988565349.db2.gz DCCKKQVYEUCXND-NQBHXWOUSA-N 1 3 220.316 1.634 20 0 BDADHO C[C@H](Cc1ccco1)[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246850703 988565356 /nfs/dbraw/zinc/56/53/56/988565356.db2.gz DCCKKQVYEUCXND-NQBHXWOUSA-N 1 3 220.316 1.634 20 0 BDADHO C[C@H](Cc1cccnc1)[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246854950 988578675 /nfs/dbraw/zinc/57/86/75/988578675.db2.gz RNDDUGTVWUFNSA-MRVWCRGKSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1cccnc1)[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246854950 988578684 /nfs/dbraw/zinc/57/86/84/988578684.db2.gz RNDDUGTVWUFNSA-MRVWCRGKSA-N 1 3 231.343 1.436 20 0 BDADHO Cc1nc2c(n1C1C[C@H]3CC[C@@H](C1)[NH2+]3)CNCC2 ZINC001246863889 988607713 /nfs/dbraw/zinc/60/77/13/988607713.db2.gz NNWITQLMOLBQQT-FOSCPWQOSA-N 1 3 246.358 1.293 20 0 BDADHO C(OC[C@H]1CC[N@@H+](C2CCNCC2)C1)C1CC1 ZINC001246867083 988622255 /nfs/dbraw/zinc/62/22/55/988622255.db2.gz WMEHXAHONMXLAI-ZDUSSCGKSA-N 1 3 238.375 1.487 20 0 BDADHO C(OC[C@H]1CC[N@H+](C2CCNCC2)C1)C1CC1 ZINC001246867083 988622263 /nfs/dbraw/zinc/62/22/63/988622263.db2.gz WMEHXAHONMXLAI-ZDUSSCGKSA-N 1 3 238.375 1.487 20 0 BDADHO CN[C@@H]1CCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246901496 988674592 /nfs/dbraw/zinc/67/45/92/988674592.db2.gz YIAXWSWUHBEDFS-MOKVOYLWSA-N 1 3 237.391 1.550 20 0 BDADHO CC[C@@H]1CC(N2CC[C@@H]2NC)C[C@@H](CC)[NH2+]1 ZINC001246899909 988677448 /nfs/dbraw/zinc/67/74/48/988677448.db2.gz QWZCISLUGVPGHQ-NQBHXWOUSA-N 1 3 225.380 1.547 20 0 BDADHO C1[NH2+]CC12C[C@@H](N1C3CCCC1CCC3)CCN2 ZINC001246906670 988679314 /nfs/dbraw/zinc/67/93/14/988679314.db2.gz RNHYFRZZVJUHQR-RUXDESIVSA-N 1 3 249.402 1.487 20 0 BDADHO CC(C)[N@@H+](C1CCNCC1)C1CCN(C)CC1 ZINC001246970937 988800705 /nfs/dbraw/zinc/80/07/05/988800705.db2.gz CUKGGSYCUBYSTP-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)[N@H+](C1CCNCC1)C1CCN(C)CC1 ZINC001246970937 988800699 /nfs/dbraw/zinc/80/06/99/988800699.db2.gz CUKGGSYCUBYSTP-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO CCCC[C@@H]1C[C@H](N2CCNC2)CC[NH2+]1 ZINC001246993521 988825733 /nfs/dbraw/zinc/82/57/33/988825733.db2.gz NVMSQSGGCVTCQM-VXGBXAGGSA-N 1 3 211.353 1.160 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CCN1 ZINC001247000848 988832566 /nfs/dbraw/zinc/83/25/66/988832566.db2.gz HCJYAXDEXOKGLS-YVECIDJPSA-N 1 3 236.359 1.428 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CCN1 ZINC001247000848 988832572 /nfs/dbraw/zinc/83/25/72/988832572.db2.gz HCJYAXDEXOKGLS-YVECIDJPSA-N 1 3 236.359 1.428 20 0 BDADHO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001247000383 988833280 /nfs/dbraw/zinc/83/32/80/988833280.db2.gz ICXCBLVSZAKXHT-NTZNESFSSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001247000383 988833281 /nfs/dbraw/zinc/83/32/81/988833281.db2.gz ICXCBLVSZAKXHT-NTZNESFSSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000383 988833285 /nfs/dbraw/zinc/83/32/85/988833285.db2.gz ICXCBLVSZAKXHT-NTZNESFSSA-N 1 3 240.347 1.012 20 0 BDADHO CCC[C@@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC001119237840 988857524 /nfs/dbraw/zinc/85/75/24/988857524.db2.gz NNZNKXJBADQKQX-ZDUSSCGKSA-N 1 3 228.380 1.828 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)[C@H](N)CC1CC1 ZINC001119358351 989004101 /nfs/dbraw/zinc/00/41/01/989004101.db2.gz SXXCBESOCDPWSQ-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO C[C@H](N)C[N@H+]1CCC[C@H]1COC(C)(C)C ZINC001119607237 989229540 /nfs/dbraw/zinc/22/95/40/989229540.db2.gz ZGZDMSOQPQRPBT-QWRGUYRKSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@H](N)C[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC001119607237 989229531 /nfs/dbraw/zinc/22/95/31/989229531.db2.gz ZGZDMSOQPQRPBT-QWRGUYRKSA-N 1 3 214.353 1.613 20 0 BDADHO CC1(C)[C@H](NCCc2cn[nH]c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001119630779 989268317 /nfs/dbraw/zinc/26/83/17/989268317.db2.gz JVPGCCLVFMCCTR-FRRDWIJNSA-N 1 3 248.374 1.318 20 0 BDADHO CC1(C)[C@H]([NH2+]CCc2cn[nH]c2)[C@@H]2CCCN[C@@H]21 ZINC001119630779 989268327 /nfs/dbraw/zinc/26/83/27/989268327.db2.gz JVPGCCLVFMCCTR-FRRDWIJNSA-N 1 3 248.374 1.318 20 0 BDADHO CSC[C@H](O)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001120485547 989666854 /nfs/dbraw/zinc/66/68/54/989666854.db2.gz OQVJSJYQYAOVFH-VXGBXAGGSA-N 1 3 246.420 1.030 20 0 BDADHO CSC[C@H](O)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC001120485547 989666860 /nfs/dbraw/zinc/66/68/60/989666860.db2.gz OQVJSJYQYAOVFH-VXGBXAGGSA-N 1 3 246.420 1.030 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NCCCCCC[NH3+] ZINC001122007774 990178676 /nfs/dbraw/zinc/17/86/76/990178676.db2.gz RANVXBYLOPGSNY-RYUDHWBXSA-N 1 3 243.395 1.385 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001122221106 990297493 /nfs/dbraw/zinc/29/74/93/990297493.db2.gz QNJCKDPYNIKBOJ-GFCCVEGCSA-N 1 3 247.342 1.602 20 0 BDADHO C[NH2+]CCN(C(=O)[C@@H](N)CCC(C)C)C(C)C ZINC001122255851 990309184 /nfs/dbraw/zinc/30/91/84/990309184.db2.gz ZQDGPSWAKOXSGO-LBPRGKRZSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122392593 990370130 /nfs/dbraw/zinc/37/01/30/990370130.db2.gz WNIZHNFITKBVGO-VXGBXAGGSA-N 1 3 241.379 1.008 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055495 991365883 /nfs/dbraw/zinc/36/58/83/991365883.db2.gz BVHLQKKKNZAMSU-XJFOESAGSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055495 991365893 /nfs/dbraw/zinc/36/58/93/991365893.db2.gz BVHLQKKKNZAMSU-XJFOESAGSA-N 1 3 238.375 1.437 20 0 BDADHO C[C@H](CC1CC1)[NH+](CCN(C)C)CCN(C)C ZINC001258463055 991417510 /nfs/dbraw/zinc/41/75/10/991417510.db2.gz LJZDXSIRXNXGLE-CYBMUJFWSA-N 1 3 241.423 1.600 20 0 BDADHO CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001317412650 991499735 /nfs/dbraw/zinc/49/97/35/991499735.db2.gz NUHAOZJOUKAQDD-NWDGAFQWSA-N 1 3 243.395 1.221 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1cccnc1 ZINC001258615419 991542717 /nfs/dbraw/zinc/54/27/17/991542717.db2.gz IDHKWBDFMNXZQD-QWRGUYRKSA-N 1 3 207.321 1.197 20 0 BDADHO CN(C)CCC[N@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140382876 991625589 /nfs/dbraw/zinc/62/55/89/991625589.db2.gz TYZNUJNTLBLQMZ-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CN(C)CCC[N@@H+](C)Cc1ccc2n[nH]cc2c1 ZINC001140382876 991625593 /nfs/dbraw/zinc/62/55/93/991625593.db2.gz TYZNUJNTLBLQMZ-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CCC[NH+]1CCC(N(CC)CCOC)CC1 ZINC001258771512 991735562 /nfs/dbraw/zinc/73/55/62/991735562.db2.gz GWBSFEGMYFYDKE-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CCC[NH+]1CCC(N2CCCO[C@H](C)C2)CC1 ZINC001258771678 991736349 /nfs/dbraw/zinc/73/63/49/991736349.db2.gz OEIGILDVRZNJNL-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CCCN1CCC([NH+]2CC3(C2)CCOC3)CC1 ZINC001258771627 991738495 /nfs/dbraw/zinc/73/84/95/991738495.db2.gz MDOSMHFNMAJKGT-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CCC[NH+]1CCC(N2CCC[C@@H](O)C2)CC1 ZINC001258771628 991740004 /nfs/dbraw/zinc/74/00/04/991740004.db2.gz MEEDPGJKGGRRKE-CYBMUJFWSA-N 1 3 226.364 1.318 20 0 BDADHO CCC[NH+]1CCC(n2ncc3c2CCNC3)CC1 ZINC001258772694 991742163 /nfs/dbraw/zinc/74/21/63/991742163.db2.gz XBMBUKNJZFIPMJ-UHFFFAOYSA-N 1 3 248.374 1.576 20 0 BDADHO CC[C@H](O)CN[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001262576207 992929671 /nfs/dbraw/zinc/92/96/71/992929671.db2.gz JVJCZMPYKZCVCQ-HBNTYKKESA-N 1 3 214.353 1.076 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@@H]1COCO1 ZINC001575130087 992992937 /nfs/dbraw/zinc/99/29/37/992992937.db2.gz FIBKUAMLQZKHDZ-GHMZBOCLSA-N 1 3 230.352 1.103 20 0 BDADHO CC(C)(C)CC[C@H]([NH3+])CNCCC1(CO)CC1 ZINC001575130254 992995113 /nfs/dbraw/zinc/99/51/13/992995113.db2.gz HUXDNEYTLHEOPG-LBPRGKRZSA-N 1 3 242.407 1.892 20 0 BDADHO CC(C)(C)OC1CC(N[C@H]2C[C@H]([NH3+])C2)C1 ZINC001575246492 993000944 /nfs/dbraw/zinc/00/09/44/993000944.db2.gz IWWKAWIQXUSJLL-YMJNLTAUSA-N 1 3 212.337 1.412 20 0 BDADHO CC(C)(CN)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575315338 993009836 /nfs/dbraw/zinc/00/98/36/993009836.db2.gz NUDJJSSQBVFFEU-WCQYABFASA-N 1 3 226.364 1.066 20 0 BDADHO CC(C)(CN)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC001575315338 993009843 /nfs/dbraw/zinc/00/98/43/993009843.db2.gz NUDJJSSQBVFFEU-WCQYABFASA-N 1 3 226.364 1.066 20 0 BDADHO CC(C)C[C@H](CO)N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001575546134 993069892 /nfs/dbraw/zinc/06/98/92/993069892.db2.gz SXNXCXWMHICNKB-FRRDWIJNSA-N 1 3 228.380 1.181 20 0 BDADHO CC(C)C[C@H](CO)NC[C@@H]([NH3+])CC(F)(F)F ZINC001575640302 993088794 /nfs/dbraw/zinc/08/87/94/993088794.db2.gz PMYIAYGUVHTUBZ-DTWKUNHWSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)N(C)C ZINC001263063333 993095604 /nfs/dbraw/zinc/09/56/04/993095604.db2.gz SMAVNHPFVVPCMI-VXGBXAGGSA-N 1 3 243.395 1.062 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+]CC1(CN)CCC1 ZINC001575829223 993109838 /nfs/dbraw/zinc/10/98/38/993109838.db2.gz XIFPHBMMPRMAML-RYUDHWBXSA-N 1 3 210.365 1.997 20 0 BDADHO C[C@H](CN1CCCCC1)NCC12CC(C1)C[NH2+]2 ZINC001576008555 993157574 /nfs/dbraw/zinc/15/75/74/993157574.db2.gz QZTKAWNYRWBLHP-IYXRBSQSSA-N 1 3 237.391 1.202 20 0 BDADHO C[C@H](NC(C)(C)C[NH3+])[C@@H]1CCCCO1 ZINC001576234349 993222783 /nfs/dbraw/zinc/22/27/83/993222783.db2.gz WCAFLTIWYIKDHS-UWVGGRQHSA-N 1 3 200.326 1.271 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCCC1)[C@H]1COC(C)(C)O1 ZINC001576244250 993228018 /nfs/dbraw/zinc/22/80/18/993228018.db2.gz JJMXDJIJOSYIRG-WDEREUQCSA-N 1 3 242.363 1.388 20 0 BDADHO C[C@@](O)(CN)C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260350 993236800 /nfs/dbraw/zinc/23/68/00/993236800.db2.gz UUILHKGNCJJZCU-MEBFFEOJSA-N 1 3 238.375 1.064 20 0 BDADHO C[C@@](O)(CN)C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260350 993236809 /nfs/dbraw/zinc/23/68/09/993236809.db2.gz UUILHKGNCJJZCU-MEBFFEOJSA-N 1 3 238.375 1.064 20 0 BDADHO CC1(C)[C@H](C[NH2+][C@@H]2C[C@@H](N)C2(C)C)C1(F)F ZINC001576384046 993289444 /nfs/dbraw/zinc/28/94/44/993289444.db2.gz SUMOEZPIDUCDTK-DJLDLDEBSA-N 1 3 232.318 1.993 20 0 BDADHO CC1(C)[C@H](CN[C@@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384046 993289456 /nfs/dbraw/zinc/28/94/56/993289456.db2.gz SUMOEZPIDUCDTK-DJLDLDEBSA-N 1 3 232.318 1.993 20 0 BDADHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000379936047 993296243 /nfs/dbraw/zinc/29/62/43/993296243.db2.gz XIHSAGLUKUFPAT-NWDGAFQWSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@@H]1CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000379936047 993296252 /nfs/dbraw/zinc/29/62/52/993296252.db2.gz XIHSAGLUKUFPAT-NWDGAFQWSA-N 1 3 228.405 1.943 20 0 BDADHO CC1(C)OC[C@H]2C[C@]21NC[C@@H]1CCC[NH2+]C1 ZINC001576495497 993321882 /nfs/dbraw/zinc/32/18/82/993321882.db2.gz PTHGDMFTQMXTIL-WZRBSPASSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CCN1 ZINC001576623987 993372533 /nfs/dbraw/zinc/37/25/33/993372533.db2.gz NTTSYJCZQXZYJB-UVLXDEKHSA-N 1 3 248.374 1.254 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CCN1 ZINC001576623988 993374175 /nfs/dbraw/zinc/37/41/75/993374175.db2.gz NTTSYJCZQXZYJB-ZMJPVWNMSA-N 1 3 248.374 1.254 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]3CCC[C@@H]23)C[NH2+]1 ZINC001576667630 993378454 /nfs/dbraw/zinc/37/84/54/993378454.db2.gz VHRAZXCGHQDILE-KSSYENDESA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C[C@H]1CO ZINC001576728988 993405825 /nfs/dbraw/zinc/40/58/25/993405825.db2.gz BKTZFCILYQWLCP-MCIONIFRSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC[C@H]1CCCN1C ZINC001576750093 993413895 /nfs/dbraw/zinc/41/38/95/993413895.db2.gz VGOAHIBOAQYHEQ-YVECIDJPSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC001576806095 993427498 /nfs/dbraw/zinc/42/74/98/993427498.db2.gz BGTBJKWNSHSIJM-YNEHKIRRSA-N 1 3 225.380 1.010 20 0 BDADHO CC[C@H](C)C[C@@H](CO)NC[C@H]([NH3+])CC(F)F ZINC001576971903 993478298 /nfs/dbraw/zinc/47/82/98/993478298.db2.gz RVULCRRMSLTDKS-AEJSXWLSSA-N 1 3 238.322 1.356 20 0 BDADHO CCC(CC)(C[NH3+])CN1CC(C(C)(C)O)C1 ZINC001577050808 993490260 /nfs/dbraw/zinc/49/02/60/993490260.db2.gz FUTKXUUSXXKYIM-UHFFFAOYSA-N 1 3 228.380 1.454 20 0 BDADHO CCC(CC)(CN)[NH2+]Cc1cnc(C)n1C ZINC001577059831 993492617 /nfs/dbraw/zinc/49/26/17/993492617.db2.gz XWXXJRBJKYHPBA-UHFFFAOYSA-N 1 3 224.352 1.336 20 0 BDADHO CCC(CC)CCCN(C)C[C@@](C)(O)C[NH3+] ZINC001577069840 993492876 /nfs/dbraw/zinc/49/28/76/993492876.db2.gz VUWVMXUKYLXBPJ-ZDUSSCGKSA-N 1 3 230.396 1.844 20 0 BDADHO CCC(CC)(CO)CNC[C@H]([NH3+])CC(F)F ZINC001577059863 993492913 /nfs/dbraw/zinc/49/29/13/993492913.db2.gz HIIYAVPJPJGEBQ-SECBINFHSA-N 1 3 238.322 1.357 20 0 BDADHO CC(C)CN(C[C@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000383591683 993497700 /nfs/dbraw/zinc/49/77/00/993497700.db2.gz OADLTHNJAAGVCQ-CQSZACIVSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)CN(C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000383591683 993497704 /nfs/dbraw/zinc/49/77/04/993497704.db2.gz OADLTHNJAAGVCQ-CQSZACIVSA-N 1 3 242.407 1.808 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)C(C)(C)N1CCCCC1 ZINC001577115303 993508087 /nfs/dbraw/zinc/50/80/87/993508087.db2.gz MCTNOFHYXDDOHT-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CCC1(C[NH2+][C@H]2C[C@H](N)C2)CCOCC1 ZINC001577220807 993546196 /nfs/dbraw/zinc/54/61/96/993546196.db2.gz NNZCGGZKNDVJQL-XYPYZODXSA-N 1 3 212.337 1.273 20 0 BDADHO CC[C@@H]1CC[N@H+](C[C@](C)(O)CNC)[C@@H]1C ZINC001577263655 993568319 /nfs/dbraw/zinc/56/83/19/993568319.db2.gz UHOPAEKCMRLELB-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1CC[N@@H+](C[C@](C)(O)CNC)[C@@H]1C ZINC001577263655 993568332 /nfs/dbraw/zinc/56/83/32/993568332.db2.gz UHOPAEKCMRLELB-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1CCN([C@@H]2C[NH2+]CC[C@@]2(C)O)[C@@H]1C ZINC001577262965 993568728 /nfs/dbraw/zinc/56/87/28/993568728.db2.gz NHFJWVRDXVHQLP-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC001577410525 993649828 /nfs/dbraw/zinc/64/98/28/993649828.db2.gz MELMBJAKKOUUAT-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001577410525 993649833 /nfs/dbraw/zinc/64/98/33/993649833.db2.gz MELMBJAKKOUUAT-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC001577410524 993651027 /nfs/dbraw/zinc/65/10/27/993651027.db2.gz MELMBJAKKOUUAT-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001577410524 993651031 /nfs/dbraw/zinc/65/10/31/993651031.db2.gz MELMBJAKKOUUAT-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C)CC2)C1 ZINC000389556273 993746828 /nfs/dbraw/zinc/74/68/28/993746828.db2.gz RQDSKVAODQWHBR-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO NC[C@H]1CCCC[N@@H+](C2CCSCC2)C1 ZINC000389752616 993763619 /nfs/dbraw/zinc/76/36/19/993763619.db2.gz ZKOPMGLBMGTVFG-LLVKDONJSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@H]1CCCC[N@H+](C2CCSCC2)C1 ZINC000389752616 993763625 /nfs/dbraw/zinc/76/36/25/993763625.db2.gz ZKOPMGLBMGTVFG-LLVKDONJSA-N 1 3 228.405 1.943 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000702217692 993970915 /nfs/dbraw/zinc/97/09/15/993970915.db2.gz XBJVYZZQRKFBSC-CHWFTXMASA-N 1 3 200.326 1.127 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)N(C)C ZINC001282462266 994240344 /nfs/dbraw/zinc/24/03/44/994240344.db2.gz TWHRGGUKBUPQQD-NEPJUHHUSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C(C)C)N(C)C ZINC001282462266 994240356 /nfs/dbraw/zinc/24/03/56/994240356.db2.gz TWHRGGUKBUPQQD-NEPJUHHUSA-N 1 3 243.395 1.172 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCC1(O)CCC1 ZINC000643488734 398144935 /nfs/dbraw/zinc/14/49/35/398144935.db2.gz LIGBMHVVOMMVQQ-NEPJUHHUSA-N 1 3 226.364 1.541 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000563201403 398146483 /nfs/dbraw/zinc/14/64/83/398146483.db2.gz UDIVDUDBZVDEGY-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000563201403 398146485 /nfs/dbraw/zinc/14/64/85/398146485.db2.gz UDIVDUDBZVDEGY-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO COC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000422939742 398158607 /nfs/dbraw/zinc/15/86/07/398158607.db2.gz RNRJZSUDMKAEQG-WXHSDQCUSA-N 1 3 226.364 1.389 20 0 BDADHO COC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C1CC1 ZINC000422939742 398158611 /nfs/dbraw/zinc/15/86/11/398158611.db2.gz RNRJZSUDMKAEQG-WXHSDQCUSA-N 1 3 226.364 1.389 20 0 BDADHO CN(C[C@]1(C)CC[NH2+]C1)C1CCOCC1 ZINC000062911282 349495999 /nfs/dbraw/zinc/49/59/99/349495999.db2.gz ZZILMEWCPCWUTH-GFCCVEGCSA-N 1 3 212.337 1.097 20 0 BDADHO COC1(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000379838834 398173795 /nfs/dbraw/zinc/17/37/95/398173795.db2.gz FXIMTBPKXJMTFF-RYUDHWBXSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423019853 398160998 /nfs/dbraw/zinc/16/09/98/398160998.db2.gz XLUSTZMQCUQUIU-AVGNSLFASA-N 1 3 242.407 1.891 20 0 BDADHO OC[C@@H](CC1CCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000423022697 398162284 /nfs/dbraw/zinc/16/22/84/398162284.db2.gz IEXIUSZEVLFIDS-ZIAGYGMSSA-N 1 3 240.391 1.659 20 0 BDADHO OC[C@@H](CC1CCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000423022697 398162288 /nfs/dbraw/zinc/16/22/88/398162288.db2.gz IEXIUSZEVLFIDS-ZIAGYGMSSA-N 1 3 240.391 1.659 20 0 BDADHO CCc1nnc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])[n-]1 ZINC000423021511 398162725 /nfs/dbraw/zinc/16/27/25/398162725.db2.gz FNDSFGJYUILOJZ-NXEZZACHSA-N 1 3 239.367 1.535 20 0 BDADHO CCc1nnc([C@@H](C)N[C@H](C)CCCC[NH3+])[nH]1 ZINC000423021511 398162729 /nfs/dbraw/zinc/16/27/29/398162729.db2.gz FNDSFGJYUILOJZ-NXEZZACHSA-N 1 3 239.367 1.535 20 0 BDADHO C[C@H](CC(=O)N(C)c1ccccc1)NCCC[NH3+] ZINC000423174790 398164049 /nfs/dbraw/zinc/16/40/49/398164049.db2.gz BWPWXKSEWYOOMQ-GFCCVEGCSA-N 1 3 249.358 1.366 20 0 BDADHO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCN ZINC000423174790 398164052 /nfs/dbraw/zinc/16/40/52/398164052.db2.gz BWPWXKSEWYOOMQ-GFCCVEGCSA-N 1 3 249.358 1.366 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2=CCCOC2)CCN1 ZINC000647796805 398201612 /nfs/dbraw/zinc/20/16/12/398201612.db2.gz OELRMJXWCFKDOE-CMPLNLGQSA-N 1 3 210.321 1.063 20 0 BDADHO CC(C)CN1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000162661000 538923937 /nfs/dbraw/zinc/92/39/37/538923937.db2.gz JDZKZGHUUBDPBS-KGLIPLIRSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000082581087 136221714 /nfs/dbraw/zinc/22/17/14/136221714.db2.gz HWLYQCBYACABFC-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCS[C@@H]1C ZINC000647803990 398214531 /nfs/dbraw/zinc/21/45/31/398214531.db2.gz GZZHWQWQBMSZBN-OSUNSFLBSA-N 1 3 244.404 1.222 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCS[C@@H]1C ZINC000647803990 398214533 /nfs/dbraw/zinc/21/45/33/398214533.db2.gz GZZHWQWQBMSZBN-OSUNSFLBSA-N 1 3 244.404 1.222 20 0 BDADHO C[C@H]([NH2+]CC1CCC(F)CC1)C1CNC1 ZINC000647803995 398214640 /nfs/dbraw/zinc/21/46/40/398214640.db2.gz HFPCJWGHMLZJFI-BMQDGWLCSA-N 1 3 214.328 1.712 20 0 BDADHO Cc1cc(C)n(CCN2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000386750721 398219231 /nfs/dbraw/zinc/21/92/31/398219231.db2.gz GLZVNXHCCAOQHT-CHWSQXEVSA-N 1 3 236.363 1.169 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@]1(CC)CO ZINC000191895039 361776641 /nfs/dbraw/zinc/77/66/41/361776641.db2.gz ZOHRRTDLSRIREZ-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@]1(CC)CO ZINC000191895039 361776644 /nfs/dbraw/zinc/77/66/44/361776644.db2.gz ZOHRRTDLSRIREZ-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@]1(CC)CO ZINC000191895039 361776646 /nfs/dbraw/zinc/77/66/46/361776646.db2.gz ZOHRRTDLSRIREZ-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CC[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430764840 398230987 /nfs/dbraw/zinc/23/09/87/398230987.db2.gz UDIVDUDBZVDEGY-WOPDTQHZSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430764840 398230988 /nfs/dbraw/zinc/23/09/88/398230988.db2.gz UDIVDUDBZVDEGY-WOPDTQHZSA-N 1 3 241.379 1.103 20 0 BDADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN(C)C2)cn1 ZINC000521337785 259305967 /nfs/dbraw/zinc/30/59/67/259305967.db2.gz HZJQOZHMVPDKQN-LBPRGKRZSA-N 1 3 234.347 1.216 20 0 BDADHO C[C@H]1C[C@H]([N@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539060 538939743 /nfs/dbraw/zinc/93/97/43/538939743.db2.gz KBXISIOZTSHBLY-WCQYABFASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H]1C[C@H]([N@@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539060 538939744 /nfs/dbraw/zinc/93/97/44/538939744.db2.gz KBXISIOZTSHBLY-WCQYABFASA-N 1 3 225.380 1.153 20 0 BDADHO CCN1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000252793263 136226858 /nfs/dbraw/zinc/22/68/58/136226858.db2.gz WWOYQSKTVRKWQE-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO COC[C@H](C)CN1CCC(C)([NH3+])CC1 ZINC000380090705 398244169 /nfs/dbraw/zinc/24/41/69/398244169.db2.gz ITTJCVDWCYOAPS-SNVBAGLBSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000381543971 398262767 /nfs/dbraw/zinc/26/27/67/398262767.db2.gz JIIGLTRAFJCVOM-FRRDWIJNSA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000381543971 398262769 /nfs/dbraw/zinc/26/27/69/398262769.db2.gz JIIGLTRAFJCVOM-FRRDWIJNSA-N 1 3 208.349 1.718 20 0 BDADHO CCOC[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162139545 349574245 /nfs/dbraw/zinc/57/42/45/349574245.db2.gz IHPXWKKVGKMWRH-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCOC[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162139545 349574251 /nfs/dbraw/zinc/57/42/51/349574251.db2.gz IHPXWKKVGKMWRH-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1CCN(Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000335610921 136236989 /nfs/dbraw/zinc/23/69/89/136236989.db2.gz HCAXYXNUHMOGFA-DGCLKSJQSA-N 1 3 233.359 1.686 20 0 BDADHO Cn1nccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335634215 136241541 /nfs/dbraw/zinc/24/15/41/136241541.db2.gz NSQXKOAFABTUCH-CHWSQXEVSA-N 1 3 248.374 1.242 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000335646059 136244088 /nfs/dbraw/zinc/24/40/88/136244088.db2.gz KEBGTYOMYZSIKO-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH2+]CCn1ccnc1)[C@@H]1CCCCN1 ZINC000385985657 342893140 /nfs/dbraw/zinc/89/31/40/342893140.db2.gz IOLHJFCXIXLHPQ-RYUDHWBXSA-N 1 3 222.336 1.003 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2Cc3ccccc3O2)C1 ZINC000222969820 259330979 /nfs/dbraw/zinc/33/09/79/259330979.db2.gz HDFITYVMLGNJQM-MCIONIFRSA-N 1 3 246.354 1.850 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000234889599 342957463 /nfs/dbraw/zinc/95/74/63/342957463.db2.gz GYNQFGQNEBVTCZ-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@@H](O)C1CC1 ZINC000678078391 488192743 /nfs/dbraw/zinc/19/27/43/488192743.db2.gz YFMNHFXIYORCQM-QWHCGFSZSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000678078391 488192748 /nfs/dbraw/zinc/19/27/48/488192748.db2.gz YFMNHFXIYORCQM-QWHCGFSZSA-N 1 3 226.364 1.173 20 0 BDADHO CSC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000235120262 342987144 /nfs/dbraw/zinc/98/71/44/342987144.db2.gz FNYQQTIQPLKSMP-UWVGGRQHSA-N 1 3 214.378 1.742 20 0 BDADHO CSC1(CN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000235120262 342987147 /nfs/dbraw/zinc/98/71/47/342987147.db2.gz FNYQQTIQPLKSMP-UWVGGRQHSA-N 1 3 214.378 1.742 20 0 BDADHO CCCCOCC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000386545897 343072049 /nfs/dbraw/zinc/07/20/49/343072049.db2.gz FSOHFVCQFWIZAK-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOCC2CC2)C1 ZINC000236303834 343091578 /nfs/dbraw/zinc/09/15/78/343091578.db2.gz HBYKKVYXLZDSCG-VXGBXAGGSA-N 1 3 212.337 1.273 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOCC(F)F)C1 ZINC000236304314 343091640 /nfs/dbraw/zinc/09/16/40/343091640.db2.gz XTJXZXAHMCGNOP-RKDXNWHRSA-N 1 3 222.279 1.128 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000093215219 343150990 /nfs/dbraw/zinc/15/09/90/343150990.db2.gz BGKLJHMLLWFNHA-SRVKXCTJSA-N 1 3 241.379 1.151 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000093215219 343150992 /nfs/dbraw/zinc/15/09/92/343150992.db2.gz BGKLJHMLLWFNHA-SRVKXCTJSA-N 1 3 241.379 1.151 20 0 BDADHO CC(C)C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000093210719 343151268 /nfs/dbraw/zinc/15/12/68/343151268.db2.gz DDQXVMQNKOILGM-MELADBBJSA-N 1 3 241.423 1.822 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCCCC[C@@H](N)C2)O1 ZINC000634687917 343245426 /nfs/dbraw/zinc/24/54/26/343245426.db2.gz CXMLMCSGLYLOTI-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCCCC[C@@H](N)C2)O1 ZINC000634687917 343245429 /nfs/dbraw/zinc/24/54/29/343245429.db2.gz CXMLMCSGLYLOTI-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@@H](C)C(C)(C)C ZINC000634688260 343246338 /nfs/dbraw/zinc/24/63/38/343246338.db2.gz NHPGFJLJHNTELA-DGCLKSJQSA-N 1 3 230.396 1.571 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000634688654 343248690 /nfs/dbraw/zinc/24/86/90/343248690.db2.gz ZQYVBMAZGCXCCH-JSGCOSHPSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000634688654 343248691 /nfs/dbraw/zinc/24/86/91/343248691.db2.gz ZQYVBMAZGCXCCH-JSGCOSHPSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000634688653 343248708 /nfs/dbraw/zinc/24/87/08/343248708.db2.gz ZQYVBMAZGCXCCH-GXTWGEPZSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000634688653 343248709 /nfs/dbraw/zinc/24/87/09/343248709.db2.gz ZQYVBMAZGCXCCH-GXTWGEPZSA-N 1 3 248.374 1.037 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000572986027 323040028 /nfs/dbraw/zinc/04/00/28/323040028.db2.gz ZEEXCXJFRVHSSL-NEPJUHHUSA-N 1 3 222.332 1.990 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@](C)(CN)C(C)C ZINC000348745351 136296349 /nfs/dbraw/zinc/29/63/49/136296349.db2.gz DFZBEHJHPZUUDY-ZDUSSCGKSA-N 1 3 238.379 1.545 20 0 BDADHO Cc1nccn1CCC[NH2+]CC1(N)CCC1 ZINC000348752147 136296636 /nfs/dbraw/zinc/29/66/36/136296636.db2.gz UHUVFZOHPIXQDK-UHFFFAOYSA-N 1 3 222.336 1.053 20 0 BDADHO Cc1nccn1CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000348757314 136297510 /nfs/dbraw/zinc/29/75/10/136297510.db2.gz VAOCYXGZXCLIIY-CQSZACIVSA-N 1 3 248.374 1.267 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCN[C@@H](C)[C@@H]1C ZINC000348755679 136297813 /nfs/dbraw/zinc/29/78/13/136297813.db2.gz ILQJQDDWBBUYAJ-RYUDHWBXSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCN[C@@H](C)[C@@H]1C ZINC000348755679 136297814 /nfs/dbraw/zinc/29/78/14/136297814.db2.gz ILQJQDDWBBUYAJ-RYUDHWBXSA-N 1 3 236.363 1.264 20 0 BDADHO C[C@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+](C)C ZINC000038089265 343370186 /nfs/dbraw/zinc/37/01/86/343370186.db2.gz INPSIGVZKBUJBA-YPMHNXCESA-N 1 3 249.358 1.143 20 0 BDADHO c1cncc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335631347 136300237 /nfs/dbraw/zinc/30/02/37/136300237.db2.gz AZCSCEKPRAGRGM-LSDHHAIUSA-N 1 3 245.370 1.903 20 0 BDADHO c1cncc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335631344 136300302 /nfs/dbraw/zinc/30/03/02/136300302.db2.gz AZCSCEKPRAGRGM-CABCVRRESA-N 1 3 245.370 1.903 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCc2ccccc2)C1 ZINC000166216244 136309325 /nfs/dbraw/zinc/30/93/25/136309325.db2.gz FSUJYXLUYMHCNL-JSGCOSHPSA-N 1 3 218.344 1.898 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000247969766 136373662 /nfs/dbraw/zinc/37/36/62/136373662.db2.gz HEOIZCGOJGKGKD-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000247969766 136373663 /nfs/dbraw/zinc/37/36/63/136373663.db2.gz HEOIZCGOJGKGKD-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO [NH3+]C[C@H]1CN(CCC2CCC2)CCCO1 ZINC000398947574 488225664 /nfs/dbraw/zinc/22/56/64/488225664.db2.gz YUBTWFBXDVLLIZ-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CN(CCC2CCC2)CCCO1 ZINC000398947572 488225682 /nfs/dbraw/zinc/22/56/82/488225682.db2.gz YUBTWFBXDVLLIZ-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(O)c1 ZINC000049553413 343602727 /nfs/dbraw/zinc/60/27/27/343602727.db2.gz UNYICFPHKIGHKR-NSHDSACASA-N 1 3 222.332 1.822 20 0 BDADHO CN(CCC[NH3+])CCCc1ccc2c(c1)CCO2 ZINC000580563803 365782068 /nfs/dbraw/zinc/78/20/68/365782068.db2.gz CNBGNOLITRFUGU-UHFFFAOYSA-N 1 3 248.370 1.835 20 0 BDADHO C[N@H+](CCCN)CCCc1ccc2c(c1)CCO2 ZINC000580563803 365782073 /nfs/dbraw/zinc/78/20/73/365782073.db2.gz CNBGNOLITRFUGU-UHFFFAOYSA-N 1 3 248.370 1.835 20 0 BDADHO C[N@@H+](CCCN)CCCc1ccc2c(c1)CCO2 ZINC000580563803 365782082 /nfs/dbraw/zinc/78/20/82/365782082.db2.gz CNBGNOLITRFUGU-UHFFFAOYSA-N 1 3 248.370 1.835 20 0 BDADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000580580365 365790620 /nfs/dbraw/zinc/79/06/20/365790620.db2.gz AQHIBLMTDOKWFL-FDYHWXHSSA-N 1 3 242.363 1.040 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOC[C@H]2CCCO2)C1 ZINC000576002863 343694308 /nfs/dbraw/zinc/69/43/08/343694308.db2.gz FOYNVVVQKXQVLW-JHJVBQTASA-N 1 3 242.363 1.042 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCCCCC1 ZINC000309049376 346956944 /nfs/dbraw/zinc/95/69/44/346956944.db2.gz OPGWMOJSCANITA-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCCCCC1 ZINC000309049376 346956949 /nfs/dbraw/zinc/95/69/49/346956949.db2.gz OPGWMOJSCANITA-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CCC(C)(C)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380182596 343688870 /nfs/dbraw/zinc/68/88/70/343688870.db2.gz GIKXCWZHNDMXRY-RYUDHWBXSA-N 1 3 210.365 1.964 20 0 BDADHO FCC1CCN(C2CC[NH2+]CC2)CC1 ZINC000409428403 343803041 /nfs/dbraw/zinc/80/30/41/343803041.db2.gz MLDKEQXJBKALRZ-UHFFFAOYSA-N 1 3 200.301 1.420 20 0 BDADHO FCC1CC[NH+](C2CCNCC2)CC1 ZINC000409428403 343803042 /nfs/dbraw/zinc/80/30/42/343803042.db2.gz MLDKEQXJBKALRZ-UHFFFAOYSA-N 1 3 200.301 1.420 20 0 BDADHO C[C@@H]([NH2+]CC[C@H](C)N)[C@@H]1CCCOC1 ZINC000622045221 344229757 /nfs/dbraw/zinc/22/97/57/344229757.db2.gz HTEDGYFNRIRTRE-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000083683320 344181373 /nfs/dbraw/zinc/18/13/73/344181373.db2.gz MMJPWRUCOVCUFQ-BPLDGKMQSA-N 1 3 230.355 1.941 20 0 BDADHO CC(C)[NH2+]CCC(=O)NC[C@H](N)c1ccccc1 ZINC000131826342 344333916 /nfs/dbraw/zinc/33/39/16/344333916.db2.gz LOMAASXCSMNCAK-ZDUSSCGKSA-N 1 3 249.358 1.191 20 0 BDADHO COC(=O)CCCC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000600700823 344359839 /nfs/dbraw/zinc/35/98/39/344359839.db2.gz FICUQDFAXZWNPZ-RYUDHWBXSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)CCCC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000600700823 344359843 /nfs/dbraw/zinc/35/98/43/344359843.db2.gz FICUQDFAXZWNPZ-RYUDHWBXSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)CCCC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000600710541 344361133 /nfs/dbraw/zinc/36/11/33/344361133.db2.gz OKBXSMDQZAQZSK-YPMHNXCESA-N 1 3 240.347 1.143 20 0 BDADHO COC(=O)CCCC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000600710541 344361134 /nfs/dbraw/zinc/36/11/34/344361134.db2.gz OKBXSMDQZAQZSK-YPMHNXCESA-N 1 3 240.347 1.143 20 0 BDADHO CCC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999115 344484888 /nfs/dbraw/zinc/48/48/88/344484888.db2.gz FVKSRTGKUPTNGI-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC1(C[N@@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000381612031 344525500 /nfs/dbraw/zinc/52/55/00/344525500.db2.gz SQFZJYHCKLVXCC-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO CC1(C[N@H+]2CC[C@@]3(C2)CCCNC3)CC1 ZINC000381612031 344525503 /nfs/dbraw/zinc/52/55/03/344525503.db2.gz SQFZJYHCKLVXCC-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO CC1(CN2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000381612031 344525506 /nfs/dbraw/zinc/52/55/06/344525506.db2.gz SQFZJYHCKLVXCC-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CCN1C ZINC000624100976 344538822 /nfs/dbraw/zinc/53/88/22/344538822.db2.gz AJSCCWPJWGCKSV-RWMBFGLXSA-N 1 3 225.380 1.153 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336782949 537852460 /nfs/dbraw/zinc/85/24/60/537852460.db2.gz ZBWYRSQDVNZBIL-STQMWFEESA-N 1 3 226.364 1.343 20 0 BDADHO CN[C@@H](C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000574890254 344680154 /nfs/dbraw/zinc/68/01/54/344680154.db2.gz TXLYZBSJXACJSR-QWRGUYRKSA-N 1 3 243.395 1.077 20 0 BDADHO CSCC[C@@H](C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000158594031 344689691 /nfs/dbraw/zinc/68/96/91/344689691.db2.gz MHYJDWZOSZXQEO-GHMZBOCLSA-N 1 3 216.394 1.669 20 0 BDADHO CC(C)[C@@H](C[NH3+])CNC[C@H](N)c1ccccc1 ZINC000634995245 345184605 /nfs/dbraw/zinc/18/46/05/345184605.db2.gz YXAOTBQCUDPQLQ-KBPBESRZSA-N 1 3 235.375 1.507 20 0 BDADHO C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C12CC(C1)CN2 ZINC000634996336 345187753 /nfs/dbraw/zinc/18/77/53/345187753.db2.gz HISNWNHABAWCIW-MFBWYPHWSA-N 1 3 206.333 1.517 20 0 BDADHO C(N[C@H]1CCC[C@@H]2C[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634996336 345187754 /nfs/dbraw/zinc/18/77/54/345187754.db2.gz HISNWNHABAWCIW-MFBWYPHWSA-N 1 3 206.333 1.517 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1Cc2ccccc2O1 ZINC000227062740 345246705 /nfs/dbraw/zinc/24/67/05/345246705.db2.gz SKEVRIHLDJNTOL-IHRRRGAJSA-N 1 3 246.354 1.707 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000227062740 345246709 /nfs/dbraw/zinc/24/67/09/345246709.db2.gz SKEVRIHLDJNTOL-IHRRRGAJSA-N 1 3 246.354 1.707 20 0 BDADHO CCC[C@H](CCO)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000635003141 345205407 /nfs/dbraw/zinc/20/54/07/345205407.db2.gz GPAMMYMMYJWHPO-TUAOUCFPSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)[C@H](C)O1 ZINC000635005435 345209417 /nfs/dbraw/zinc/20/94/17/345209417.db2.gz NNDNKKMNURGBQU-OFTGVCEQSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)[C@H](C)O1 ZINC000635005435 345209420 /nfs/dbraw/zinc/20/94/20/345209420.db2.gz NNDNKKMNURGBQU-OFTGVCEQSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC(C)(C)F ZINC000635005564 345209790 /nfs/dbraw/zinc/20/97/90/345209790.db2.gz VDHXWKFOCROORL-AEJSXWLSSA-N 1 3 218.316 1.076 20 0 BDADHO COCCCCN(C)CC[C@H]([NH3+])C(C)C ZINC000158525640 345344446 /nfs/dbraw/zinc/34/44/46/345344446.db2.gz SXDNLYHRAIDRIK-LBPRGKRZSA-N 1 3 216.369 1.718 20 0 BDADHO C[C@@H](CCNC(N)=[NH2+])N(C)Cc1ccccc1 ZINC000081781038 345492108 /nfs/dbraw/zinc/49/21/08/345492108.db2.gz DKOMZKDJPPQAOU-NSHDSACASA-N 1 3 234.347 1.380 20 0 BDADHO CC[C@H](C)C[NH2+]CCCCN1CCN(C)CC1 ZINC000093061527 345656352 /nfs/dbraw/zinc/65/63/52/345656352.db2.gz UCPBJGPOUIDSEN-AWEZNQCLSA-N 1 3 241.423 1.650 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)CCN1CC[NH3+] ZINC000115822085 345677128 /nfs/dbraw/zinc/67/71/28/345677128.db2.gz AXBRQZAHNADPAJ-CYBMUJFWSA-N 1 3 233.359 1.151 20 0 BDADHO CN1CCN(CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000581377367 345942929 /nfs/dbraw/zinc/94/29/29/345942929.db2.gz ABKUUPOKQDCSDQ-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCN(CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000581377367 345942931 /nfs/dbraw/zinc/94/29/31/345942931.db2.gz ABKUUPOKQDCSDQ-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H](C[NH+](C)C)NC(=O)CN(C)CC(C)(C)C ZINC000635928537 346111047 /nfs/dbraw/zinc/11/10/47/346111047.db2.gz IJECNOLEPOOFQK-NSHDSACASA-N 1 3 243.395 1.031 20 0 BDADHO CO[C@@H](CC(C)C)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000419200957 192102296 /nfs/dbraw/zinc/10/22/96/192102296.db2.gz FCMFTEBRAKELNH-KBPBESRZSA-N 1 3 242.407 1.931 20 0 BDADHO Cc1cccc(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000011891263 179079517 /nfs/dbraw/zinc/07/95/17/179079517.db2.gz BDSHSISUPPUKTE-ZDUSSCGKSA-N 1 3 204.317 1.776 20 0 BDADHO c1n[nH]cc1CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000641798270 362742564 /nfs/dbraw/zinc/74/25/64/362742564.db2.gz DHNPFTWLMXSXNR-ZIAGYGMSSA-N 1 3 248.374 1.416 20 0 BDADHO Cn1cncc1CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798966 362746387 /nfs/dbraw/zinc/74/63/87/362746387.db2.gz RTWNPMNIGWMLHC-IACUBPJLSA-N 1 3 248.374 1.022 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000641803941 362761297 /nfs/dbraw/zinc/76/12/97/362761297.db2.gz WEZJPDOKIJIBME-NWDGAFQWSA-N 1 3 236.363 1.297 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)C1(C)C)C1CCCC1 ZINC000641801352 362754822 /nfs/dbraw/zinc/75/48/22/362754822.db2.gz PUQORTUUBMSLCU-JHJVBQTASA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801352 362754824 /nfs/dbraw/zinc/75/48/24/362754824.db2.gz PUQORTUUBMSLCU-JHJVBQTASA-N 1 3 240.391 1.907 20 0 BDADHO CN(CCN[C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801841 362758715 /nfs/dbraw/zinc/75/87/15/362758715.db2.gz FRFFKYJQMZHHTD-KBPBESRZSA-N 1 3 247.386 1.838 20 0 BDADHO CN(CC[NH2+][C@H]1C[C@H](N)C1(C)C)c1ccccc1 ZINC000641801841 362758722 /nfs/dbraw/zinc/75/87/22/362758722.db2.gz FRFFKYJQMZHHTD-KBPBESRZSA-N 1 3 247.386 1.838 20 0 BDADHO C[C@H](O)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300374893 346530757 /nfs/dbraw/zinc/53/07/57/346530757.db2.gz CHNCINJCUVGBMF-GARJFASQSA-N 1 3 200.326 1.007 20 0 BDADHO C[N@H+](C[C@@H](O)CN[C@@H]1C=CCCC1)C1CC1 ZINC000562991450 346718260 /nfs/dbraw/zinc/71/82/60/346718260.db2.gz OSBCUJZMHGJAFR-YPMHNXCESA-N 1 3 224.348 1.140 20 0 BDADHO C[N@@H+](C[C@@H](O)CN[C@@H]1C=CCCC1)C1CC1 ZINC000562991450 346718262 /nfs/dbraw/zinc/71/82/62/346718262.db2.gz OSBCUJZMHGJAFR-YPMHNXCESA-N 1 3 224.348 1.140 20 0 BDADHO CC(C)N1CCC([NH2+]CC(C)(C)N(C)C)CC1 ZINC000020125692 187370285 /nfs/dbraw/zinc/37/02/85/187370285.db2.gz CAEWIOCHDYXYPU-UHFFFAOYSA-N 1 3 241.423 1.789 20 0 BDADHO CCN1CCN(CCC[NH2+]CC(C)(C)C)CC1 ZINC000236844913 347195706 /nfs/dbraw/zinc/19/57/06/347195706.db2.gz WDXAWLLHJYTDPG-UHFFFAOYSA-N 1 3 241.423 1.650 20 0 BDADHO CCOC(=O)CCCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327356 347211581 /nfs/dbraw/zinc/21/15/81/347211581.db2.gz UFNUGORAJLJHIX-VXGBXAGGSA-N 1 3 242.363 1.246 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327356 347211586 /nfs/dbraw/zinc/21/15/86/347211586.db2.gz UFNUGORAJLJHIX-VXGBXAGGSA-N 1 3 242.363 1.246 20 0 BDADHO [NH3+]CCOCCN1CCC[C@@H]1c1ccsc1 ZINC000357066992 187377097 /nfs/dbraw/zinc/37/70/97/187377097.db2.gz DJPRTPOTXOWYHH-GFCCVEGCSA-N 1 3 240.372 1.860 20 0 BDADHO CCN(C)CC[NH2+]C1CCN(CC)CC1 ZINC000054109770 347464773 /nfs/dbraw/zinc/46/47/73/347464773.db2.gz RYWAXTQWZAYABK-UHFFFAOYSA-N 1 3 213.369 1.012 20 0 BDADHO COC(=O)CCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397263377 323152494 /nfs/dbraw/zinc/15/24/94/323152494.db2.gz IECPHKZERVVSHC-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)CCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397263377 323152495 /nfs/dbraw/zinc/15/24/95/323152495.db2.gz IECPHKZERVVSHC-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO CCC(CC)(CNC[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000592495529 347788140 /nfs/dbraw/zinc/78/81/40/347788140.db2.gz KZWFKCMMRPQYHN-LLVKDONJSA-N 1 3 242.363 1.165 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOCC1CCC1 ZINC000577382532 365929608 /nfs/dbraw/zinc/92/96/08/365929608.db2.gz WRCIXKOWMOJINE-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CSCCF)[NH2+]CC1=CCN(C)CC1 ZINC000595025622 348172782 /nfs/dbraw/zinc/17/27/82/348172782.db2.gz HUYSEARBPUAEPU-LLVKDONJSA-N 1 3 246.395 1.929 20 0 BDADHO Cc1cccnc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000336309135 179373680 /nfs/dbraw/zinc/37/36/80/179373680.db2.gz JXHLUSILWHDBBV-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO Cc1nn(C)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269699 187393550 /nfs/dbraw/zinc/39/35/50/187393550.db2.gz NZYZBCJCJTUKLD-BETUJISGSA-N 1 3 248.374 1.160 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@H]1CN(C)C[C@H]1C ZINC000336661612 187393097 /nfs/dbraw/zinc/39/30/97/187393097.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 1 3 227.396 1.256 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@H]1CN(C)C[C@H]1C ZINC000336661612 187393099 /nfs/dbraw/zinc/39/30/99/187393099.db2.gz KCLCRAHUDNXKQB-OLZOCXBDSA-N 1 3 227.396 1.256 20 0 BDADHO CCSCC[N@@H+]1CC2CC1(CN)C2 ZINC000595910398 348397885 /nfs/dbraw/zinc/39/78/85/348397885.db2.gz PMNWLJUEESLUMC-UHFFFAOYSA-N 1 3 200.351 1.163 20 0 BDADHO CCSCC[N@H+]1CC2CC1(CN)C2 ZINC000595910398 348397887 /nfs/dbraw/zinc/39/78/87/348397887.db2.gz PMNWLJUEESLUMC-UHFFFAOYSA-N 1 3 200.351 1.163 20 0 BDADHO CCSC1(CN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000596650440 348606150 /nfs/dbraw/zinc/60/61/50/348606150.db2.gz ISAFRGDSWCCUFN-VHSXEESVSA-N 1 3 214.378 1.742 20 0 BDADHO CCC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000382189066 348963876 /nfs/dbraw/zinc/96/38/76/348963876.db2.gz BIMBWKNLQDOGOD-QJPTWQEYSA-N 1 3 214.353 1.661 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250488064 349171230 /nfs/dbraw/zinc/17/12/30/349171230.db2.gz FLHPXKHEBATCSN-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCCOC2)C1 ZINC000250488064 349171232 /nfs/dbraw/zinc/17/12/32/349171232.db2.gz FLHPXKHEBATCSN-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCCOC2)C1 ZINC000250488064 349171233 /nfs/dbraw/zinc/17/12/33/349171233.db2.gz FLHPXKHEBATCSN-STQMWFEESA-N 1 3 226.364 1.485 20 0 BDADHO CCSCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000252688223 349210386 /nfs/dbraw/zinc/21/03/86/349210386.db2.gz NOXGUHBDLRKRQG-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000082923085 349214459 /nfs/dbraw/zinc/21/44/59/349214459.db2.gz PFOQUZRKFXBZOO-VXGBXAGGSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000082923085 349214462 /nfs/dbraw/zinc/21/44/62/349214462.db2.gz PFOQUZRKFXBZOO-VXGBXAGGSA-N 1 3 228.380 1.765 20 0 BDADHO CC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528547 362946705 /nfs/dbraw/zinc/94/67/05/362946705.db2.gz SMZPSWIXISAJPH-VXGBXAGGSA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528547 362946708 /nfs/dbraw/zinc/94/67/08/362946708.db2.gz SMZPSWIXISAJPH-VXGBXAGGSA-N 1 3 228.380 1.874 20 0 BDADHO N[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)C1CCC1 ZINC000422544994 192425785 /nfs/dbraw/zinc/42/57/85/192425785.db2.gz VYOZEAGEQPCIIR-GFCCVEGCSA-N 1 3 233.315 1.211 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000070656682 350040136 /nfs/dbraw/zinc/04/01/36/350040136.db2.gz WQNKMXCKBMGFDT-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000070656682 350040137 /nfs/dbraw/zinc/04/01/37/350040137.db2.gz WQNKMXCKBMGFDT-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000070656682 350040142 /nfs/dbraw/zinc/04/01/42/350040142.db2.gz WQNKMXCKBMGFDT-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427310116 191058001 /nfs/dbraw/zinc/05/80/01/191058001.db2.gz XOXPRXMRESRXDL-GFCCVEGCSA-N 1 3 235.331 1.601 20 0 BDADHO CO[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623533452 362951990 /nfs/dbraw/zinc/95/19/90/362951990.db2.gz ALCRVBQAVVFPNV-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533452 362951994 /nfs/dbraw/zinc/95/19/94/362951994.db2.gz ALCRVBQAVVFPNV-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CSCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422749922 192452215 /nfs/dbraw/zinc/45/22/15/192452215.db2.gz BMGHLKGCOATEHF-UWVGGRQHSA-N 1 3 202.367 1.327 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623533451 362952134 /nfs/dbraw/zinc/95/21/34/362952134.db2.gz ALCRVBQAVVFPNV-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533451 362952139 /nfs/dbraw/zinc/95/21/39/362952139.db2.gz ALCRVBQAVVFPNV-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](NCCCC[NH+](C)C)c1cnccn1 ZINC000070025703 350496074 /nfs/dbraw/zinc/49/60/74/350496074.db2.gz UMNILMINJXNNTR-NSHDSACASA-N 1 3 222.336 1.469 20 0 BDADHO C[C@H](C[NH2+]CC1(C)COC1)CN1CCCC1 ZINC000070617526 350551132 /nfs/dbraw/zinc/55/11/32/350551132.db2.gz WEVRAFCUKQMEJK-GFCCVEGCSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H]1C[C@@H](NCc2cc[nH]c2)CC[N@@H+]1C ZINC000094755102 350607408 /nfs/dbraw/zinc/60/74/08/350607408.db2.gz BGZZXNKGLNADOO-JQWIXIFHSA-N 1 3 207.321 1.587 20 0 BDADHO C[C@H]1C[C@@H](NCc2cc[nH]c2)CC[N@H+]1C ZINC000094755102 350607409 /nfs/dbraw/zinc/60/74/09/350607409.db2.gz BGZZXNKGLNADOO-JQWIXIFHSA-N 1 3 207.321 1.587 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558885 362980804 /nfs/dbraw/zinc/98/08/04/362980804.db2.gz MDFHKLQHUSSYIB-IJLUTSLNSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558885 362980810 /nfs/dbraw/zinc/98/08/10/362980810.db2.gz MDFHKLQHUSSYIB-IJLUTSLNSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300900130 191129222 /nfs/dbraw/zinc/12/92/22/191129222.db2.gz VZKYISKZYHTMRK-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO [NH3+]CCN1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC000616634371 351116975 /nfs/dbraw/zinc/11/69/75/351116975.db2.gz QQGOXZOSUKBGBA-LBPRGKRZSA-N 1 3 239.750 1.245 20 0 BDADHO COc1ccc(CNCCCC[NH3+])c(F)c1 ZINC000404953120 351291486 /nfs/dbraw/zinc/29/14/86/351291486.db2.gz RCZTXHGAHUKWLA-UHFFFAOYSA-N 1 3 226.295 1.663 20 0 BDADHO C[C@H]([NH3+])CC(=O)Nc1cccc2c1CCNC2 ZINC000637841598 351697527 /nfs/dbraw/zinc/69/75/27/351697527.db2.gz UXEFNLVQLPDCHP-VIFPVBQESA-N 1 3 233.315 1.008 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CCC(C)C ZINC000637858487 351720507 /nfs/dbraw/zinc/72/05/07/351720507.db2.gz FKYBLXWFCJMJBA-NSHDSACASA-N 1 3 243.395 1.384 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CCC(C)C ZINC000637867602 351731169 /nfs/dbraw/zinc/73/11/69/351731169.db2.gz VUMAHSJMVMMIGU-VXGBXAGGSA-N 1 3 243.395 1.384 20 0 BDADHO CO[C@@](C)(C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)C1CC1 ZINC000638089001 351967765 /nfs/dbraw/zinc/96/77/65/351967765.db2.gz JKXHXRIKTIZRCH-YUTCNCBUSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@@](C)(C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)C1CC1 ZINC000638089001 351967767 /nfs/dbraw/zinc/96/77/67/351967767.db2.gz JKXHXRIKTIZRCH-YUTCNCBUSA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000638244702 352092436 /nfs/dbraw/zinc/09/24/36/352092436.db2.gz YCEBLNSSLFHNHW-VXGBXAGGSA-N 1 3 243.395 1.384 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000638250897 352094793 /nfs/dbraw/zinc/09/47/93/352094793.db2.gz KVWZAXIRIGAYBW-LLVKDONJSA-N 1 3 243.395 1.384 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638366836 352178156 /nfs/dbraw/zinc/17/81/56/352178156.db2.gz SEOSIEASOHZSEM-LBPRGKRZSA-N 1 3 245.326 1.440 20 0 BDADHO CC[C@H](C(=O)NCc1ccc(C[NH3+])cc1)N(C)C ZINC000638373717 352186403 /nfs/dbraw/zinc/18/64/03/352186403.db2.gz IFHDNXFUZRJTAD-CYBMUJFWSA-N 1 3 249.358 1.102 20 0 BDADHO CC[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)N(C)C ZINC000638373718 352186576 /nfs/dbraw/zinc/18/65/76/352186576.db2.gz IFHDNXFUZRJTAD-ZDUSSCGKSA-N 1 3 249.358 1.102 20 0 BDADHO CCN1CC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638381001 352190934 /nfs/dbraw/zinc/19/09/34/352190934.db2.gz HCINXGGAFNTFPG-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@]1(C[NH2+]C[C@@H]2CCSC2)CCCNC1 ZINC000414918267 352273904 /nfs/dbraw/zinc/27/39/04/352273904.db2.gz UCRJJGQASZBBOQ-RYUDHWBXSA-N 1 3 228.405 1.719 20 0 BDADHO CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000415013985 352550450 /nfs/dbraw/zinc/55/04/50/352550450.db2.gz WDJJWKZCGGWQHL-GHMZBOCLSA-N 1 3 222.332 1.911 20 0 BDADHO COC1(C[N@@H+]2CC[C@@H](CN)C2)CCCC1 ZINC000393630876 352710859 /nfs/dbraw/zinc/71/08/59/352710859.db2.gz NDSKQSHZHDDZKE-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO COC1(C[N@H+]2CC[C@@H](CN)C2)CCCC1 ZINC000393630876 352710862 /nfs/dbraw/zinc/71/08/62/352710862.db2.gz NDSKQSHZHDDZKE-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1C[C@@H](NC2CSC2)CC[N@@H+]1C ZINC000307677793 352755066 /nfs/dbraw/zinc/75/50/66/352755066.db2.gz MLDNZPWJOGVGTH-BDAKNGLRSA-N 1 3 200.351 1.174 20 0 BDADHO C[C@@H]1C[C@@H](NC2CSC2)CC[N@H+]1C ZINC000307677793 352755069 /nfs/dbraw/zinc/75/50/69/352755069.db2.gz MLDNZPWJOGVGTH-BDAKNGLRSA-N 1 3 200.351 1.174 20 0 BDADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)N(C)C ZINC000638816422 352997132 /nfs/dbraw/zinc/99/71/32/352997132.db2.gz SCDVPOSZJHWPEF-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)(N)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261978172 535199505 /nfs/dbraw/zinc/19/95/05/535199505.db2.gz RBMURRHPGLKTIB-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO CC(C)(N)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000261978172 535199510 /nfs/dbraw/zinc/19/95/10/535199510.db2.gz RBMURRHPGLKTIB-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H](N)c1ccccc1 ZINC000638938935 353121311 /nfs/dbraw/zinc/12/13/11/353121311.db2.gz ZFSRTLKYYSODQA-WXHSDQCUSA-N 1 3 247.342 1.025 20 0 BDADHO CC(C)(C[NH2+]C1CCOCC1)CN1CCCC1 ZINC000357843526 188067376 /nfs/dbraw/zinc/06/73/76/188067376.db2.gz CIWHWRYPPMUURR-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000368319090 188072920 /nfs/dbraw/zinc/07/29/20/188072920.db2.gz VGKIIYJEGIYWSX-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000368319090 188072922 /nfs/dbraw/zinc/07/29/22/188072922.db2.gz VGKIIYJEGIYWSX-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000250491745 188086849 /nfs/dbraw/zinc/08/68/49/188086849.db2.gz HHPAYLYTWCEPQT-NWDGAFQWSA-N 1 3 213.369 1.044 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000042543889 188120700 /nfs/dbraw/zinc/12/07/00/188120700.db2.gz OXWLCVCIUZGFFF-CYBMUJFWSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C)C2)CC1 ZINC000042543889 188120702 /nfs/dbraw/zinc/12/07/02/188120702.db2.gz OXWLCVCIUZGFFF-CYBMUJFWSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)(CN[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000336663610 188163258 /nfs/dbraw/zinc/16/32/58/188163258.db2.gz KTTVCSQIKOABJC-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)(C[NH2+][C@H]1CCOC1)CN1CCCC1 ZINC000336663610 188163259 /nfs/dbraw/zinc/16/32/59/188163259.db2.gz KTTVCSQIKOABJC-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCSC1 ZINC000335271786 188180002 /nfs/dbraw/zinc/18/00/02/188180002.db2.gz VHJGGEMHLHSJPR-GHMZBOCLSA-N 1 3 214.378 1.471 20 0 BDADHO CC(C)N1CCC[N@H+](CCn2ccnc2)CC1 ZINC000336705843 188183026 /nfs/dbraw/zinc/18/30/26/188183026.db2.gz NYHJLTZOAZLEOV-UHFFFAOYSA-N 1 3 236.363 1.299 20 0 BDADHO CC(C)N1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000336705843 188183027 /nfs/dbraw/zinc/18/30/27/188183027.db2.gz NYHJLTZOAZLEOV-UHFFFAOYSA-N 1 3 236.363 1.299 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000125289241 188190772 /nfs/dbraw/zinc/19/07/72/188190772.db2.gz GVAXNYAVRNFRIV-NEPJUHHUSA-N 1 3 214.353 1.484 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@H]2CCC[C@H]21 ZINC000043427978 188216834 /nfs/dbraw/zinc/21/68/34/188216834.db2.gz NSKJYGFQPCMRSK-OLZOCXBDSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@H](N)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639071159 353386982 /nfs/dbraw/zinc/38/69/82/353386982.db2.gz GKWBXSCARGTSHC-JQWIXIFHSA-N 1 3 247.342 1.203 20 0 BDADHO C[C@H](C[NH2+]C1CCOCC1)CN1CCCCC1 ZINC000038041969 358481668 /nfs/dbraw/zinc/48/16/68/358481668.db2.gz LWTNIMAQRBBMFN-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000231669131 363347208 /nfs/dbraw/zinc/34/72/08/363347208.db2.gz CGAIQBLTQDXZFI-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000231669131 363347210 /nfs/dbraw/zinc/34/72/10/363347210.db2.gz CGAIQBLTQDXZFI-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CCSCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000231670243 363347309 /nfs/dbraw/zinc/34/73/09/363347309.db2.gz MWAAMUJMZHWTOP-NSHDSACASA-N 1 3 216.394 1.813 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000344300750 354211999 /nfs/dbraw/zinc/21/19/99/354211999.db2.gz QFZFJODDUSWQPU-CQSZACIVSA-N 1 3 240.391 1.899 20 0 BDADHO CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)N(CC)CC ZINC000344651840 354337955 /nfs/dbraw/zinc/33/79/55/354337955.db2.gz GKYTXSUSSFBRRG-NWDGAFQWSA-N 1 3 243.395 1.173 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH2+]C)C1(C)C ZINC000233760497 363407047 /nfs/dbraw/zinc/40/70/47/363407047.db2.gz PYCWGTHUKLRJLB-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO CSCCCN(C)C[C@H]1CCC[NH2+]C1 ZINC000235048832 363435460 /nfs/dbraw/zinc/43/54/60/363435460.db2.gz KUPDSVRZVAFSCP-NSHDSACASA-N 1 3 216.394 1.671 20 0 BDADHO CSCCC[N@H+](C)C[C@H]1CCCNC1 ZINC000235048832 363435464 /nfs/dbraw/zinc/43/54/64/363435464.db2.gz KUPDSVRZVAFSCP-NSHDSACASA-N 1 3 216.394 1.671 20 0 BDADHO CSCCC[N@@H+](C)C[C@H]1CCCNC1 ZINC000235048832 363435467 /nfs/dbraw/zinc/43/54/67/363435467.db2.gz KUPDSVRZVAFSCP-NSHDSACASA-N 1 3 216.394 1.671 20 0 BDADHO c1ccc2c(c1)CCC([NH2+][C@H]1CCNC1)CC2 ZINC000335177623 354947672 /nfs/dbraw/zinc/94/76/72/354947672.db2.gz JMWOTZMVWYJKKX-HNNXBMFYSA-N 1 3 230.355 1.886 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCOC2)CCN1 ZINC000530213018 324529316 /nfs/dbraw/zinc/52/93/16/324529316.db2.gz SUBAAPHHJYUASD-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO Cc1cc(N)cc(CNC2CC[NH+](C)CC2)c1 ZINC000335236947 355098587 /nfs/dbraw/zinc/09/85/87/355098587.db2.gz DWYNBFHPBPSIQA-UHFFFAOYSA-N 1 3 233.359 1.761 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000335238122 355100023 /nfs/dbraw/zinc/10/00/23/355100023.db2.gz LTEIBPDBCUFTIM-NSHDSACASA-N 1 3 233.315 1.002 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000335238262 355100064 /nfs/dbraw/zinc/10/00/64/355100064.db2.gz JQUSZOWAIFVYBM-AWEZNQCLSA-N 1 3 247.342 1.392 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)C2(N)CCCC2)c1 ZINC000335238246 355100139 /nfs/dbraw/zinc/10/01/39/355100139.db2.gz IYTBUOAKAJJUPM-UHFFFAOYSA-N 1 3 247.342 1.664 20 0 BDADHO C[C@@H](F)CC[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000352004783 134034709 /nfs/dbraw/zinc/03/47/09/134034709.db2.gz QCEFAOMAZTZUBG-NEPJUHHUSA-N 1 3 246.370 1.512 20 0 BDADHO CCOC[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346971036 355207497 /nfs/dbraw/zinc/20/74/97/355207497.db2.gz GUNLGCTXJYUUOD-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346971036 355207498 /nfs/dbraw/zinc/20/74/98/355207498.db2.gz GUNLGCTXJYUUOD-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346971036 355207500 /nfs/dbraw/zinc/20/75/00/355207500.db2.gz GUNLGCTXJYUUOD-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346996101 355194803 /nfs/dbraw/zinc/19/48/03/355194803.db2.gz WJDWGJLQAHVVMS-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346996101 355194807 /nfs/dbraw/zinc/19/48/07/355194807.db2.gz WJDWGJLQAHVVMS-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346996101 355194812 /nfs/dbraw/zinc/19/48/12/355194812.db2.gz WJDWGJLQAHVVMS-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)OC ZINC000412975271 191346407 /nfs/dbraw/zinc/34/64/07/191346407.db2.gz FAUBFMJPSGBORE-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)OC ZINC000412975271 191346409 /nfs/dbraw/zinc/34/64/09/191346409.db2.gz FAUBFMJPSGBORE-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000412975271 191346411 /nfs/dbraw/zinc/34/64/11/191346411.db2.gz FAUBFMJPSGBORE-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000412975271 191346412 /nfs/dbraw/zinc/34/64/12/191346412.db2.gz FAUBFMJPSGBORE-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000412975577 191347198 /nfs/dbraw/zinc/34/71/98/191347198.db2.gz FYNJLTRXOKFZAH-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@H](CN1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975577 191347200 /nfs/dbraw/zinc/34/72/00/191347200.db2.gz FYNJLTRXOKFZAH-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H]2CN)CCO1 ZINC000388887753 355319551 /nfs/dbraw/zinc/31/95/51/355319551.db2.gz KTBVINQEKJJXDV-NDBYEHHHSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1CCCOC1 ZINC000389011780 355409169 /nfs/dbraw/zinc/40/91/69/355409169.db2.gz SPAZBJIGUWYLHL-QNWHQSFQSA-N 1 3 226.364 1.661 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCSC1 ZINC000414904837 191621087 /nfs/dbraw/zinc/62/10/87/191621087.db2.gz MCUPOEFMNXWDKD-GHMZBOCLSA-N 1 3 214.378 1.471 20 0 BDADHO CC(C)NCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000582175473 355577331 /nfs/dbraw/zinc/57/73/31/355577331.db2.gz QYIMYGCQNKDNBQ-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H]([NH2+]CCCN(C)C(C)C)C(C)C ZINC000166566105 355693630 /nfs/dbraw/zinc/69/36/30/355693630.db2.gz UYWJMZUTUMBNRW-ZDUSSCGKSA-N 1 3 230.396 1.977 20 0 BDADHO COC[C@H](NCCC[N@H+](C)C(C)C)C(C)C ZINC000166566105 355693632 /nfs/dbraw/zinc/69/36/32/355693632.db2.gz UYWJMZUTUMBNRW-ZDUSSCGKSA-N 1 3 230.396 1.977 20 0 BDADHO COC[C@H](NCCC[N@@H+](C)C(C)C)C(C)C ZINC000166566105 355693633 /nfs/dbraw/zinc/69/36/33/355693633.db2.gz UYWJMZUTUMBNRW-ZDUSSCGKSA-N 1 3 230.396 1.977 20 0 BDADHO CC(C)(O)CN1CCC([NH2+]CC(C)(C)F)CC1 ZINC000639358393 355813164 /nfs/dbraw/zinc/81/31/64/355813164.db2.gz KEQCIVVUDMJREA-UHFFFAOYSA-N 1 3 246.370 1.559 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCNC2)CCOCC1 ZINC000261536757 535297062 /nfs/dbraw/zinc/29/70/62/535297062.db2.gz SUZGWBIJXNUKBO-LLVKDONJSA-N 1 3 212.337 1.145 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000420273941 192197419 /nfs/dbraw/zinc/19/74/19/192197419.db2.gz NZNLRDGYJRINIU-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH+](C)C)N(C)C ZINC000617751854 356310763 /nfs/dbraw/zinc/31/07/63/356310763.db2.gz DUUAEDGREWYYMD-NWDGAFQWSA-N 1 3 243.395 1.029 20 0 BDADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)N(C)C ZINC000617751853 356310937 /nfs/dbraw/zinc/31/09/37/356310937.db2.gz DUUAEDGREWYYMD-NEPJUHHUSA-N 1 3 243.395 1.029 20 0 BDADHO CC(C)C[C@H]1COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420305233 192208347 /nfs/dbraw/zinc/20/83/47/192208347.db2.gz PEPSHRYMUBDABT-KBPBESRZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](NCCOCC[NH3+])c1ccccc1Cl ZINC000420366566 192225876 /nfs/dbraw/zinc/22/58/76/192225876.db2.gz GDILTMFVFQRFLL-JTQLQIEISA-N 1 3 242.750 1.966 20 0 BDADHO CC(C)[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000420367283 192226430 /nfs/dbraw/zinc/22/64/30/192226430.db2.gz VIIJQURMRCMNSY-AWEZNQCLSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[NH2+]C1CCN(C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639527510 356376583 /nfs/dbraw/zinc/37/65/83/356376583.db2.gz RRNJYFKTUNFHGE-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420359976 192221509 /nfs/dbraw/zinc/22/15/09/192221509.db2.gz LITUJIATPWDDOS-ZIAGYGMSSA-N 1 3 240.391 1.733 20 0 BDADHO CC1(C)CN(CCOCC[NH3+])Cc2ccccc21 ZINC000420360202 192221580 /nfs/dbraw/zinc/22/15/80/192221580.db2.gz LLOWSIDPWZGQQJ-UHFFFAOYSA-N 1 3 248.370 1.755 20 0 BDADHO COCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420367365 192225396 /nfs/dbraw/zinc/22/53/96/192225396.db2.gz KAMLMWWXIDMMQF-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000352676906 356401818 /nfs/dbraw/zinc/40/18/18/356401818.db2.gz VCQHGEUDAOXYIC-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000352676906 356401822 /nfs/dbraw/zinc/40/18/22/356401822.db2.gz VCQHGEUDAOXYIC-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCOCCCN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420376582 192231616 /nfs/dbraw/zinc/23/16/16/192231616.db2.gz VFIPFWLZOBPTQA-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCCc1ccncc1 ZINC000420380633 192233188 /nfs/dbraw/zinc/23/31/88/192233188.db2.gz YLMPGTJOIVLUHJ-IPYPFGDCSA-N 1 3 247.386 1.990 20 0 BDADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCCc1ccncc1 ZINC000420380638 192233384 /nfs/dbraw/zinc/23/33/84/192233384.db2.gz YLMPGTJOIVLUHJ-VNHYZAJKSA-N 1 3 247.386 1.990 20 0 BDADHO CC[C@H]1CO[C@@H](C)CN1CCC1CC[NH2+]CC1 ZINC000020593534 356489468 /nfs/dbraw/zinc/48/94/68/356489468.db2.gz OKGDFSXFMIYGJM-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CN(CCN1CCCCC1)C[C@H]1CCC[N@@H+]1C ZINC000420995712 192294823 /nfs/dbraw/zinc/29/48/23/192294823.db2.gz DWUJIIIQMQCYJZ-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CN(CCN1CCCCC1)C[C@H]1CCC[N@H+]1C ZINC000420995712 192294825 /nfs/dbraw/zinc/29/48/25/192294825.db2.gz DWUJIIIQMQCYJZ-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1CC[C@H]1CCC[N@@H+]1C ZINC000421020962 192305968 /nfs/dbraw/zinc/30/59/68/192305968.db2.gz NTVMWDWRGOHVIW-JHJVBQTASA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1CC[C@H]1CCC[N@H+]1C ZINC000421020962 192305971 /nfs/dbraw/zinc/30/59/71/192305971.db2.gz NTVMWDWRGOHVIW-JHJVBQTASA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H](CO)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639704327 356610366 /nfs/dbraw/zinc/61/03/66/356610366.db2.gz QQLZEWFWIFBUSB-CYBMUJFWSA-N 1 3 249.358 1.222 20 0 BDADHO C[C@@H](CO)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639704327 356610370 /nfs/dbraw/zinc/61/03/70/356610370.db2.gz QQLZEWFWIFBUSB-CYBMUJFWSA-N 1 3 249.358 1.222 20 0 BDADHO CCN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000041282612 358507351 /nfs/dbraw/zinc/50/73/51/358507351.db2.gz QCLAYCAZDWSRQZ-UHFFFAOYSA-N 1 3 239.407 1.500 20 0 BDADHO Cn1nccc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639758758 356670109 /nfs/dbraw/zinc/67/01/09/356670109.db2.gz VUEVJWHJIUJXMR-UHFFFAOYSA-N 1 3 248.374 1.338 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423135929 192581210 /nfs/dbraw/zinc/58/12/10/192581210.db2.gz YKHIEJRUXKDHDS-QCNOEVLYSA-N 1 3 214.328 1.984 20 0 BDADHO CC[C@H]1CCCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000383698769 538664732 /nfs/dbraw/zinc/66/47/32/538664732.db2.gz VGLADBNNUUTJCX-UONOGXRCSA-N 1 3 242.407 1.952 20 0 BDADHO CC[C@H]1CCCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000383698769 538664737 /nfs/dbraw/zinc/66/47/37/538664737.db2.gz VGLADBNNUUTJCX-UONOGXRCSA-N 1 3 242.407 1.952 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623356427 356792602 /nfs/dbraw/zinc/79/26/02/356792602.db2.gz OQUZPUPUKQLBAR-GFCCVEGCSA-N 1 3 236.363 1.681 20 0 BDADHO CCC[C@H](O)CN(C)C1CC[NH+](CCC)CC1 ZINC000450473483 202178191 /nfs/dbraw/zinc/17/81/91/202178191.db2.gz ZRBSQVABUVQKLN-AWEZNQCLSA-N 1 3 242.407 1.954 20 0 BDADHO CC1(C)[C@@H](O)CCN1CCC[NH+]1CCCCC1 ZINC000361402228 356929722 /nfs/dbraw/zinc/92/97/22/356929722.db2.gz HGDHDCQOHASCDD-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cncn1C ZINC000353568423 538750140 /nfs/dbraw/zinc/75/01/40/538750140.db2.gz JACIKUCDJGBYSH-NQBHXWOUSA-N 1 3 236.363 1.238 20 0 BDADHO C([NH2+][C@H]1CC[C@H]1C1CC1)[C@@H]1CCCNC1 ZINC000423221237 192634016 /nfs/dbraw/zinc/63/40/16/192634016.db2.gz ZLCUXBNLKABNEC-WXHSDQCUSA-N 1 3 208.349 1.764 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2CCO[C@@H]2C)CC1 ZINC000120058088 357031375 /nfs/dbraw/zinc/03/13/75/357031375.db2.gz CLPVBBSZNJIBLU-OCCSQVGLSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254053 192654643 /nfs/dbraw/zinc/65/46/43/192654643.db2.gz WWZGUARRXDEGEE-QWRGUYRKSA-N 1 3 237.322 1.871 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425448 357252991 /nfs/dbraw/zinc/25/29/91/357252991.db2.gz LIKXJDGTMGZRIH-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1CN ZINC000393358737 357308378 /nfs/dbraw/zinc/30/83/78/357308378.db2.gz RNTPFJANOVWFOQ-RQJABVFESA-N 1 3 240.391 1.454 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@H]1CN ZINC000393358737 357308383 /nfs/dbraw/zinc/30/83/83/357308383.db2.gz RNTPFJANOVWFOQ-RQJABVFESA-N 1 3 240.391 1.454 20 0 BDADHO Cc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC000582839672 357412756 /nfs/dbraw/zinc/41/27/56/357412756.db2.gz HCAUKXYTJRQYKX-PWSUYJOCSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)cn1 ZINC000582839672 357412758 /nfs/dbraw/zinc/41/27/58/357412758.db2.gz HCAUKXYTJRQYKX-PWSUYJOCSA-N 1 3 221.348 1.648 20 0 BDADHO Nc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCNCC1 ZINC000582856791 357421567 /nfs/dbraw/zinc/42/15/67/357421567.db2.gz FYTVKVNGICKQGQ-AWEZNQCLSA-N 1 3 231.343 1.598 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CCO[C@@H](C)C1 ZINC000582899097 357424826 /nfs/dbraw/zinc/42/48/26/357424826.db2.gz WNQUYIOUYPUUAU-NWDGAFQWSA-N 1 3 214.353 1.532 20 0 BDADHO CC(C)NCCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000582899097 357424829 /nfs/dbraw/zinc/42/48/29/357424829.db2.gz WNQUYIOUYPUUAU-NWDGAFQWSA-N 1 3 214.353 1.532 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000583154255 357497809 /nfs/dbraw/zinc/49/78/09/357497809.db2.gz ZWKRXVMZIUGTHO-FIQHERPVSA-N 1 3 240.347 1.188 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000583154255 357497812 /nfs/dbraw/zinc/49/78/12/357497812.db2.gz ZWKRXVMZIUGTHO-FIQHERPVSA-N 1 3 240.347 1.188 20 0 BDADHO C[N@@H+]1CC[C@H](NCCOCC2CC2)CC1(C)C ZINC000623410102 357503768 /nfs/dbraw/zinc/50/37/68/357503768.db2.gz APHHAMTWAIAGPG-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CC[C@H](NCCOCC2CC2)CC1(C)C ZINC000623410102 357503772 /nfs/dbraw/zinc/50/37/72/357503772.db2.gz APHHAMTWAIAGPG-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H]1COC(C)(C)C1)C[NH+](C)C ZINC000396829680 357484396 /nfs/dbraw/zinc/48/43/96/357484396.db2.gz PJAYRMXNMVXKJD-MNOVXSKESA-N 1 3 214.353 1.341 20 0 BDADHO CC[NH+]1CCC(NCCc2ccn(C)n2)CC1 ZINC000230897761 357578254 /nfs/dbraw/zinc/57/82/54/357578254.db2.gz CWLKMTSMHVFZAM-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO C[C@H]1C[C@@H](NCCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898253 357578275 /nfs/dbraw/zinc/57/82/75/357578275.db2.gz WKWUASWJAZLGAA-AAEUAGOBSA-N 1 3 236.363 1.035 20 0 BDADHO C[C@H]1C[C@@H](NCCc2ccn(C)n2)CC[N@H+]1C ZINC000230898253 357578278 /nfs/dbraw/zinc/57/82/78/357578278.db2.gz WKWUASWJAZLGAA-AAEUAGOBSA-N 1 3 236.363 1.035 20 0 BDADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)CC(C)C ZINC000230711140 357573070 /nfs/dbraw/zinc/57/30/70/357573070.db2.gz GIGQPZYAJALQDT-LBPRGKRZSA-N 1 3 243.395 1.160 20 0 BDADHO C(C[C@H]1CCOC1)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000230393037 357533249 /nfs/dbraw/zinc/53/32/49/357533249.db2.gz OTAHEXMYSBKCOO-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@H]1CCOC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393037 357533254 /nfs/dbraw/zinc/53/32/54/357533254.db2.gz OTAHEXMYSBKCOO-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@H]1CCOC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393037 357533256 /nfs/dbraw/zinc/53/32/56/357533256.db2.gz OTAHEXMYSBKCOO-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397604955 357626557 /nfs/dbraw/zinc/62/65/57/357626557.db2.gz PLWCJSSZKHPSQK-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397604959 357626569 /nfs/dbraw/zinc/62/65/69/357626569.db2.gz PLWCJSSZKHPSQK-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000397730456 357674337 /nfs/dbraw/zinc/67/43/37/357674337.db2.gz PXHNBLRBZCWBFF-SRVKXCTJSA-N 1 3 214.353 1.255 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN ZINC000423302124 192691110 /nfs/dbraw/zinc/69/11/10/192691110.db2.gz HCOGTPVHTBEBML-GRYCIOLGSA-N 1 3 214.353 1.376 20 0 BDADHO CCC[C@@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416041 357828853 /nfs/dbraw/zinc/82/88/53/357828853.db2.gz GTKLDSLCUREWKI-VXGBXAGGSA-N 1 3 228.380 1.610 20 0 BDADHO CCC[C@@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416041 357828857 /nfs/dbraw/zinc/82/88/57/357828857.db2.gz GTKLDSLCUREWKI-VXGBXAGGSA-N 1 3 228.380 1.610 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192499128 357835507 /nfs/dbraw/zinc/83/55/07/357835507.db2.gz PTBSYXJZTINQMW-MELADBBJSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](C[NH2+]C1CCC(O)CC1)CN1CCCC1 ZINC000235109262 357845705 /nfs/dbraw/zinc/84/57/05/357845705.db2.gz YUYZIUZEZJEBSC-HSBZDZAISA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000192604269 357846150 /nfs/dbraw/zinc/84/61/50/357846150.db2.gz JUWYQFPONZWPOL-YIYPIFLZSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)[C@H](CO)C1 ZINC000639936195 357932304 /nfs/dbraw/zinc/93/23/04/357932304.db2.gz AJLMBTWJROFWTO-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)[C@H](CO)C1 ZINC000639936195 357932305 /nfs/dbraw/zinc/93/23/05/357932305.db2.gz AJLMBTWJROFWTO-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222894590 358213035 /nfs/dbraw/zinc/21/30/35/358213035.db2.gz UHNURHIVYYERQM-JHJVBQTASA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222959612 358216082 /nfs/dbraw/zinc/21/60/82/358216082.db2.gz QFJPMOUPCFTOPQ-MCIONIFRSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@@H]1CCCCO1 ZINC000223636585 358229487 /nfs/dbraw/zinc/22/94/87/358229487.db2.gz LETKIBXSAXCIML-AGIUHOORSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CC[C@@H]1CCCCO1 ZINC000223636704 358229613 /nfs/dbraw/zinc/22/96/13/358229613.db2.gz LETKIBXSAXCIML-UPJWGTAASA-N 1 3 226.364 1.757 20 0 BDADHO CC(C)(CCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000227905684 358366073 /nfs/dbraw/zinc/36/60/73/358366073.db2.gz KUBVSPNWFAVNAL-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000173895592 134278440 /nfs/dbraw/zinc/27/84/40/134278440.db2.gz QUMBPHPURSNYRJ-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000173895592 134278441 /nfs/dbraw/zinc/27/84/41/134278441.db2.gz QUMBPHPURSNYRJ-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]CCOCCN(C)C)[C@@H]1C ZINC000219307037 134281168 /nfs/dbraw/zinc/28/11/68/134281168.db2.gz OXEHLQLLBOYZAB-MCIONIFRSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000231072998 358414528 /nfs/dbraw/zinc/41/45/28/358414528.db2.gz ZLYQDKGDMLIYBG-UTUOFQBUSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]1CCN(CC[NH2+]C2CCN(C)CC2)C1 ZINC000309423208 358544150 /nfs/dbraw/zinc/54/41/50/358544150.db2.gz KASBFSVLDIUYQN-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000219321029 134281533 /nfs/dbraw/zinc/28/15/33/134281533.db2.gz DOVCRRBLRMEWJT-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130213875 358615108 /nfs/dbraw/zinc/61/51/08/358615108.db2.gz IWGHKVDEDLWTBD-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130213875 358615109 /nfs/dbraw/zinc/61/51/09/358615109.db2.gz IWGHKVDEDLWTBD-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCO1 ZINC000049332462 358683325 /nfs/dbraw/zinc/68/33/25/358683325.db2.gz APOWJVVZSROMDE-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000049332462 358683326 /nfs/dbraw/zinc/68/33/26/358683326.db2.gz APOWJVVZSROMDE-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222050329 358769423 /nfs/dbraw/zinc/76/94/23/358769423.db2.gz DDNDQPWXNGZRSK-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222050329 358769428 /nfs/dbraw/zinc/76/94/28/358769428.db2.gz DDNDQPWXNGZRSK-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CCO[C@@H]2C)CC1 ZINC000134079076 358779331 /nfs/dbraw/zinc/77/93/31/358779331.db2.gz GYDLQLBTWVOPBE-YPMHNXCESA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)CCOCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403850 358968537 /nfs/dbraw/zinc/96/85/37/358968537.db2.gz MDRPNNDBVAJWQO-OLZOCXBDSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CCc2ccccc2OC1 ZINC000423311437 192697560 /nfs/dbraw/zinc/69/75/60/192697560.db2.gz TVCDMWAVVJKTAJ-YPMHNXCESA-N 1 3 234.343 1.565 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423311437 192697563 /nfs/dbraw/zinc/69/75/63/192697563.db2.gz TVCDMWAVVJKTAJ-YPMHNXCESA-N 1 3 234.343 1.565 20 0 BDADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@H](C)C[NH3+] ZINC000423314639 192701857 /nfs/dbraw/zinc/70/18/57/192701857.db2.gz YQKBDLKUXDFSJY-DYEKYZERSA-N 1 3 236.359 1.947 20 0 BDADHO COC(=O)[C@@H](C)C[N@H+](C)CC[C@H]1CCCN1C ZINC000248030635 359251103 /nfs/dbraw/zinc/25/11/03/359251103.db2.gz KEFYJNRRFMVCLE-NWDGAFQWSA-N 1 3 242.363 1.212 20 0 BDADHO COC(=O)[C@@H](C)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000248030635 359251105 /nfs/dbraw/zinc/25/11/05/359251105.db2.gz KEFYJNRRFMVCLE-NWDGAFQWSA-N 1 3 242.363 1.212 20 0 BDADHO CCC[C@@H](O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000450861099 202292040 /nfs/dbraw/zinc/29/20/40/202292040.db2.gz XVEWITVWLAMLRA-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000450861099 202292042 /nfs/dbraw/zinc/29/20/42/202292042.db2.gz XVEWITVWLAMLRA-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000450861099 202292045 /nfs/dbraw/zinc/29/20/45/202292045.db2.gz XVEWITVWLAMLRA-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CN1CC[C@H]([NH2+]CCN2CCC2)CC1(C)C ZINC000623470211 359769536 /nfs/dbraw/zinc/76/95/36/359769536.db2.gz FEINWZMIYPQKAW-LBPRGKRZSA-N 1 3 225.380 1.155 20 0 BDADHO C[N@@H+]1CC[C@H](NCCN2CCC2)CC1(C)C ZINC000623470211 359769539 /nfs/dbraw/zinc/76/95/39/359769539.db2.gz FEINWZMIYPQKAW-LBPRGKRZSA-N 1 3 225.380 1.155 20 0 BDADHO C[N@H+]1CC[C@H](NCCN2CCC2)CC1(C)C ZINC000623470211 359769541 /nfs/dbraw/zinc/76/95/41/359769541.db2.gz FEINWZMIYPQKAW-LBPRGKRZSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@H](CO)N(C)CCC[NH+]1CCCCC1 ZINC000451156569 202368215 /nfs/dbraw/zinc/36/82/15/202368215.db2.gz FKAPMBHWXSBLQR-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CC1(C)CCC[N@H+](CCN2CCNCC2)CC1 ZINC000087657946 359923231 /nfs/dbraw/zinc/92/32/31/359923231.db2.gz OJCGDWCMYKTDMC-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO CC1(C)CCC[N@@H+](CCN2CCNCC2)CC1 ZINC000087657946 359923236 /nfs/dbraw/zinc/92/32/36/359923236.db2.gz OJCGDWCMYKTDMC-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000578726406 366632738 /nfs/dbraw/zinc/63/27/38/366632738.db2.gz KJHLZXXHRMRELD-GRYCIOLGSA-N 1 3 214.353 1.247 20 0 BDADHO CCNCCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000578878307 366664990 /nfs/dbraw/zinc/66/49/90/366664990.db2.gz MVPPFHXYENNXDS-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO Cn1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253581 360159292 /nfs/dbraw/zinc/15/92/92/360159292.db2.gz OYCRWAFDYDHCKA-ZDUSSCGKSA-N 1 3 235.375 1.799 20 0 BDADHO Cn1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253581 360159296 /nfs/dbraw/zinc/15/92/96/360159296.db2.gz OYCRWAFDYDHCKA-ZDUSSCGKSA-N 1 3 235.375 1.799 20 0 BDADHO CC(C)OCCN1CCC(OCCC[NH3+])CC1 ZINC000094072971 360295301 /nfs/dbraw/zinc/29/53/01/360295301.db2.gz PMJBKGONYPYXQG-UHFFFAOYSA-N 1 3 244.379 1.241 20 0 BDADHO Cc1cccc(C)c1C[NH2+]CC1(N)CCOCC1 ZINC000629389119 361035498 /nfs/dbraw/zinc/03/54/98/361035498.db2.gz YBEOTJLTAUXPHU-UHFFFAOYSA-N 1 3 248.370 1.901 20 0 BDADHO Cc1ccc(CNCCOCCC[NH3+])c(C)c1 ZINC000629398197 361048694 /nfs/dbraw/zinc/04/86/94/361048694.db2.gz OOPKWJRUVGOPBP-UHFFFAOYSA-N 1 3 236.359 1.758 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410580 361060813 /nfs/dbraw/zinc/06/08/13/361060813.db2.gz HBWHGHPAIILXEY-NMKXLXIOSA-N 1 3 237.391 1.199 20 0 BDADHO CCO[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)C1CC1 ZINC000629509366 361103728 /nfs/dbraw/zinc/10/37/28/361103728.db2.gz DKVMSEQDUOPGRR-CYZMBNFOSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000629510948 361110004 /nfs/dbraw/zinc/11/00/04/361110004.db2.gz YNMDZZZTYLGKDK-SRVKXCTJSA-N 1 3 214.353 1.519 20 0 BDADHO Cc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1N)CO2 ZINC000629515933 361110439 /nfs/dbraw/zinc/11/04/39/361110439.db2.gz YOPYWDQCAHZVHD-FPMFFAJLSA-N 1 3 246.354 1.768 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1Cc2ccccc2CO1 ZINC000629515152 361112835 /nfs/dbraw/zinc/11/28/35/361112835.db2.gz ZFLWECABEGSULO-HUBLWGQQSA-N 1 3 248.370 1.843 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCN1CC(F)F ZINC000629517915 361113781 /nfs/dbraw/zinc/11/37/81/361113781.db2.gz AAHHMCMZUNVCHH-AXFHLTTASA-N 1 3 249.349 1.431 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629517915 361113784 /nfs/dbraw/zinc/11/37/84/361113784.db2.gz AAHHMCMZUNVCHH-AXFHLTTASA-N 1 3 249.349 1.431 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cccc(O)c1 ZINC000629530196 361143476 /nfs/dbraw/zinc/14/34/76/361143476.db2.gz YTPYHLDLBCHURI-NSHDSACASA-N 1 3 238.331 1.279 20 0 BDADHO Cc1ccc(C(C)(C)CN[C@@H](C)C2C[NH2+]C2)nc1 ZINC000629523307 361124347 /nfs/dbraw/zinc/12/43/47/361124347.db2.gz LEQMIVDTEVBEJR-LBPRGKRZSA-N 1 3 247.386 1.865 20 0 BDADHO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)C2CNC2)nc1 ZINC000629523307 361124352 /nfs/dbraw/zinc/12/43/52/361124352.db2.gz LEQMIVDTEVBEJR-LBPRGKRZSA-N 1 3 247.386 1.865 20 0 BDADHO CC(C)CC[C@H](CO)N[C@H](C)C[C@H](C)[NH3+] ZINC000629524555 361124456 /nfs/dbraw/zinc/12/44/56/361124456.db2.gz SBRALMUVAWLBBX-QJPTWQEYSA-N 1 3 216.369 1.499 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CCCOC ZINC000629525818 361126567 /nfs/dbraw/zinc/12/65/67/361126567.db2.gz CPUUQZCQDGBPOE-SDDRHHMPSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H]1[C@H](C)SCCN1C[C@@H]1CCC[NH2+]C1 ZINC000158590084 361205130 /nfs/dbraw/zinc/20/51/30/361205130.db2.gz SXSJKYREIGUMPP-GRYCIOLGSA-N 1 3 228.405 1.812 20 0 BDADHO COCCCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000158708476 361210248 /nfs/dbraw/zinc/21/02/48/361210248.db2.gz YMLZEYJKBHTYDD-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO COCCCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000158708476 361210250 /nfs/dbraw/zinc/21/02/50/361210250.db2.gz YMLZEYJKBHTYDD-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO FC1(F)C[C@H]1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000622043524 370673940 /nfs/dbraw/zinc/67/39/40/370673940.db2.gz CSUOFRQMWCUFPK-NFLHVTIKSA-N 1 3 230.302 1.904 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N)CCO1 ZINC000622045147 370678591 /nfs/dbraw/zinc/67/85/91/370678591.db2.gz DCGZYSXKMWIVIO-SRVKXCTJSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1ccc(F)cc1 ZINC000629535833 361411506 /nfs/dbraw/zinc/41/15/06/361411506.db2.gz DGSVOFYLWZFCHU-LLVKDONJSA-N 1 3 240.322 1.842 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1cncc(F)c1 ZINC000629534802 361408857 /nfs/dbraw/zinc/40/88/57/361408857.db2.gz BMYIFDDYJCQZQJ-SNVBAGLBSA-N 1 3 241.310 1.237 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000629546407 361427221 /nfs/dbraw/zinc/42/72/21/361427221.db2.gz PKQGSYNZHZWANQ-ZWKOPEQDSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1CCOC1 ZINC000629548517 361434680 /nfs/dbraw/zinc/43/46/80/361434680.db2.gz POCYDBMFNYFOOQ-NNYUYHANSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000629554347 361441372 /nfs/dbraw/zinc/44/13/72/361441372.db2.gz HVPVZQYEZCNOAX-WUHRBBMRSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1ccccn1 ZINC000629542315 361419016 /nfs/dbraw/zinc/41/90/16/361419016.db2.gz YEZYBDJQHGCGFJ-LLVKDONJSA-N 1 3 223.320 1.098 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000629542611 361419146 /nfs/dbraw/zinc/41/91/46/361419146.db2.gz GZCXZGAYQOGEGZ-ZDEQEGDKSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H](c1cccc(F)c1)N(C)CCOCC[NH3+] ZINC000629578108 361468386 /nfs/dbraw/zinc/46/83/86/361468386.db2.gz GPOUSPWPOFJYJK-NSHDSACASA-N 1 3 240.322 1.794 20 0 BDADHO C[NH2+]CCOCCN(C)C/C=C/c1ccccc1 ZINC000629654797 361558460 /nfs/dbraw/zinc/55/84/60/361558460.db2.gz RRHWMJORYQTWOP-RMKNXTFCSA-N 1 3 248.370 1.868 20 0 BDADHO CS[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000448545869 201198479 /nfs/dbraw/zinc/19/84/79/201198479.db2.gz NWQWRBHOJPNUGX-NWDGAFQWSA-N 1 3 228.405 1.908 20 0 BDADHO CS[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000448545869 201198483 /nfs/dbraw/zinc/19/84/83/201198483.db2.gz NWQWRBHOJPNUGX-NWDGAFQWSA-N 1 3 228.405 1.908 20 0 BDADHO NC1(C[NH2+]CC2=CCCOC2)CCCCC1 ZINC000629647615 361537974 /nfs/dbraw/zinc/53/79/74/361537974.db2.gz BMOCTGXHQDQRRH-UHFFFAOYSA-N 1 3 224.348 1.584 20 0 BDADHO C[C@@H]1C[C@H](C)N(CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648514 361541243 /nfs/dbraw/zinc/54/12/43/361541243.db2.gz QAGRBFPZLNJKRV-DYEKYZERSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC2=CCCOC2)C[C@@H]1CN ZINC000629648514 361541251 /nfs/dbraw/zinc/54/12/51/361541251.db2.gz QAGRBFPZLNJKRV-DYEKYZERSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC2=CCCOC2)C[C@@H]1CN ZINC000629648514 361541258 /nfs/dbraw/zinc/54/12/58/361541258.db2.gz QAGRBFPZLNJKRV-DYEKYZERSA-N 1 3 238.375 1.638 20 0 BDADHO COC1(CN2C[C@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000629650016 361546252 /nfs/dbraw/zinc/54/62/52/361546252.db2.gz OHNRRSRVBHESTQ-TZMCWYRMSA-N 1 3 238.375 1.759 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1CC1=CCCOC1 ZINC000629652940 361551225 /nfs/dbraw/zinc/55/12/25/361551225.db2.gz FSTUPUMFNQBORP-CYBMUJFWSA-N 1 3 224.348 1.536 20 0 BDADHO COC1(CNC[C@H]([NH3+])C(C)C)CCCC1 ZINC000629653898 361554396 /nfs/dbraw/zinc/55/43/96/361554396.db2.gz MFGJXIRDSMYHGK-NSHDSACASA-N 1 3 214.353 1.519 20 0 BDADHO CC1(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629665302 361587478 /nfs/dbraw/zinc/58/74/78/361587478.db2.gz KOQCLJZPBUEBHD-BETUJISGSA-N 1 3 208.349 1.718 20 0 BDADHO COC[C@H]1CCCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000448555565 201261980 /nfs/dbraw/zinc/26/19/80/201261980.db2.gz MQKNAONRSGPCRY-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO COC[C@H]1CCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000448555565 201261983 /nfs/dbraw/zinc/26/19/83/201261983.db2.gz MQKNAONRSGPCRY-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@H+](C[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000435626575 201278678 /nfs/dbraw/zinc/27/86/78/201278678.db2.gz OXKBLVGRDNFVGX-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000435626575 201278680 /nfs/dbraw/zinc/27/86/80/201278680.db2.gz OXKBLVGRDNFVGX-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCN(CCOC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623105 201278904 /nfs/dbraw/zinc/27/89/04/201278904.db2.gz BUNRMZFTNRJROX-CYBMUJFWSA-N 1 3 228.380 1.875 20 0 BDADHO CCOCCC[N@H+](CC)[C@H]1CCCNCC1 ZINC000435630671 201279527 /nfs/dbraw/zinc/27/95/27/201279527.db2.gz YIFFAKYXBAOWIR-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CCOCCC[N@@H+](CC)[C@H]1CCCNCC1 ZINC000435630671 201279531 /nfs/dbraw/zinc/27/95/31/201279531.db2.gz YIFFAKYXBAOWIR-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO COCCCCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000435623423 201280182 /nfs/dbraw/zinc/28/01/82/201280182.db2.gz UZLPRWHFRWUAHO-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO COCCCCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000435623423 201280184 /nfs/dbraw/zinc/28/01/84/201280184.db2.gz UZLPRWHFRWUAHO-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CNCCC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000435873142 201290135 /nfs/dbraw/zinc/29/01/35/201290135.db2.gz TYHNYAPAZZVXPW-OCCSQVGLSA-N 1 3 242.407 1.763 20 0 BDADHO C[NH2+]CCCN[C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000435873142 201290139 /nfs/dbraw/zinc/29/01/39/201290139.db2.gz TYHNYAPAZZVXPW-OCCSQVGLSA-N 1 3 242.407 1.763 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000155735742 201349405 /nfs/dbraw/zinc/34/94/05/201349405.db2.gz KHIMKAGBPJIWIM-CHWSQXEVSA-N 1 3 227.396 1.399 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)[C@H](C)C1)C1CC1 ZINC000155820330 201353236 /nfs/dbraw/zinc/35/32/36/201353236.db2.gz YVOLLRASIUISTF-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](CC(=O)N1CCCCCC1)NCCC[NH3+] ZINC000437782082 201373054 /nfs/dbraw/zinc/37/30/54/201373054.db2.gz XPAWDFDILRGSJV-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCN ZINC000437782082 201373059 /nfs/dbraw/zinc/37/30/59/201373059.db2.gz XPAWDFDILRGSJV-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000438179527 201397413 /nfs/dbraw/zinc/39/74/13/201397413.db2.gz OOPHXZQVVJUYHX-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO Nc1ccc2c(c1)CC[C@@H]2NCC1(C[NH3+])CC1 ZINC000573339161 364804449 /nfs/dbraw/zinc/80/44/49/364804449.db2.gz GOYGDKGGAAKCFM-ZDUSSCGKSA-N 1 3 231.343 1.585 20 0 BDADHO NCC1(C[NH2+][C@H]2CCc3cc(N)ccc32)CC1 ZINC000573339161 364804458 /nfs/dbraw/zinc/80/44/58/364804458.db2.gz GOYGDKGGAAKCFM-ZDUSSCGKSA-N 1 3 231.343 1.585 20 0 BDADHO CC(C)(C)N1CCC([NH2+]CCCCO)CC1 ZINC000194211610 219954065 /nfs/dbraw/zinc/95/40/65/219954065.db2.gz OVWMZYRPMVTYGR-UHFFFAOYSA-N 1 3 228.380 1.611 20 0 BDADHO CC(C)(C)[NH+]1CCC(NCCCCO)CC1 ZINC000194211610 219954069 /nfs/dbraw/zinc/95/40/69/219954069.db2.gz OVWMZYRPMVTYGR-UHFFFAOYSA-N 1 3 228.380 1.611 20 0 BDADHO CCc1nc(CN[C@H](C)CCC[NH3+])cs1 ZINC000336887218 364788493 /nfs/dbraw/zinc/78/84/93/364788493.db2.gz IBHABEWGOQHTBS-SECBINFHSA-N 1 3 227.377 1.923 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000328376899 364841714 /nfs/dbraw/zinc/84/17/14/364841714.db2.gz UFSYIUORQXFZLU-YIYPIFLZSA-N 1 3 238.375 1.221 20 0 BDADHO CNCc1ccccc1NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000573723930 364902305 /nfs/dbraw/zinc/90/23/05/364902305.db2.gz HGZOSLYYLOVMKU-PWSUYJOCSA-N 1 3 247.342 1.343 20 0 BDADHO CC[C@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000575121934 365210758 /nfs/dbraw/zinc/21/07/58/365210758.db2.gz QXULFWZDEVLAAP-SKDRFNHKSA-N 1 3 235.331 1.060 20 0 BDADHO CCN(CCCO)CCC[NH+]1CCCCC1 ZINC000444597156 193052015 /nfs/dbraw/zinc/05/20/15/193052015.db2.gz MOVLKIMCSLESHD-UHFFFAOYSA-N 1 3 228.380 1.567 20 0 BDADHO FCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000379810899 365277986 /nfs/dbraw/zinc/27/79/86/365277986.db2.gz AEXNQBKGJOZKJT-UTUOFQBUSA-N 1 3 214.328 1.856 20 0 BDADHO CC(C)(N)C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000575349655 365298698 /nfs/dbraw/zinc/29/86/98/365298698.db2.gz IJQOHMGZBYKDGY-UHFFFAOYSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@@H]1C[C@H](NCCOCC2CCC2)CC[N@@H+]1C ZINC000576203768 365520781 /nfs/dbraw/zinc/52/07/81/365520781.db2.gz QKTZEQDOXVQSFT-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H](NCCOCC2CCC2)CC[N@H+]1C ZINC000576203768 365520788 /nfs/dbraw/zinc/52/07/88/365520788.db2.gz QKTZEQDOXVQSFT-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000580963633 367220986 /nfs/dbraw/zinc/22/09/86/367220986.db2.gz VDDQLHKLHWDXDE-OLZOCXBDSA-N 1 3 236.363 1.441 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@H](C)[C@H]2C)CC[NH2+]1 ZINC000380565346 367244737 /nfs/dbraw/zinc/24/47/37/367244737.db2.gz OJDMCLRZBCSMGE-FDYHWXHSSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000581194254 367290391 /nfs/dbraw/zinc/29/03/91/367290391.db2.gz YFRLCPWIBWRMFN-WHOHXGKFSA-N 1 3 241.379 1.101 20 0 BDADHO C[C@@H](Cn1cccn1)NCCC[NH2+]C1CC1 ZINC000382577883 367544022 /nfs/dbraw/zinc/54/40/22/367544022.db2.gz HZWLZMUOVJPAIU-NSHDSACASA-N 1 3 222.336 1.003 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]CCCNC1CC1 ZINC000382577883 367544033 /nfs/dbraw/zinc/54/40/33/367544033.db2.gz HZWLZMUOVJPAIU-NSHDSACASA-N 1 3 222.336 1.003 20 0 BDADHO COC1CCC([NH2+]CCCNC(C)C)CC1 ZINC000581601918 367625573 /nfs/dbraw/zinc/62/55/73/367625573.db2.gz YVPGIDOIQYBRMU-UHFFFAOYSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCOC1 ZINC000399161079 367707920 /nfs/dbraw/zinc/70/79/20/367707920.db2.gz CNOVILWUPCUPKS-KXNHARMFSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)[C@H](C)O1 ZINC000384571683 367702290 /nfs/dbraw/zinc/70/22/90/367702290.db2.gz JGQSUQBRFCIFGU-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)[C@H](C)O1 ZINC000384571683 367702292 /nfs/dbraw/zinc/70/22/92/367702292.db2.gz JGQSUQBRFCIFGU-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H](CC(C)(C)C)[NH2+]CCOCCN(C)C ZINC000384519298 367696398 /nfs/dbraw/zinc/69/63/98/367696398.db2.gz ATDMEBYMJRXYQK-LBPRGKRZSA-N 1 3 230.396 1.979 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000384816866 367736840 /nfs/dbraw/zinc/73/68/40/367736840.db2.gz MAVXHFRRBZOYGB-GFCCVEGCSA-N 1 3 233.315 1.049 20 0 BDADHO Cc1cnccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000385027911 367774204 /nfs/dbraw/zinc/77/42/04/367774204.db2.gz JSUVIYMKACWBCN-RRFJBIMHSA-N 1 3 245.370 1.949 20 0 BDADHO CC(C)(CO)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000385881920 367874335 /nfs/dbraw/zinc/87/43/35/367874335.db2.gz LIBFHZMJZWYCPI-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H](NCC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000581937744 367964645 /nfs/dbraw/zinc/96/46/45/367964645.db2.gz KSLWQDRMISCDEZ-JTQLQIEISA-N 1 3 237.322 1.871 20 0 BDADHO C[C@H](NC[C@H]1CCCN1C)[C@H]1CCCC[NH2+]1 ZINC000386430094 367969483 /nfs/dbraw/zinc/96/94/83/367969483.db2.gz LFZCXGQSDWFIDM-YNEHKIRRSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H](NCC(C)(C)CCCO)[C@H]1CCCC[NH2+]1 ZINC000386518707 367984403 /nfs/dbraw/zinc/98/44/03/367984403.db2.gz YJKHEHMIZJQKHD-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)N(C)C ZINC000387403180 368169120 /nfs/dbraw/zinc/16/91/20/368169120.db2.gz BAUBJLIVLGEUMV-GHMZBOCLSA-N 1 3 243.395 1.077 20 0 BDADHO CN1CCC(O)(C[NH2+]CC2CCCCC2)CC1 ZINC000059161714 368529558 /nfs/dbraw/zinc/52/95/58/368529558.db2.gz IJOJSGHWKZBADV-UHFFFAOYSA-N 1 3 240.391 1.613 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOCC(F)(F)F)C1 ZINC000086404278 368881441 /nfs/dbraw/zinc/88/14/41/368881441.db2.gz FPUISHNPRBJANS-BDAKNGLRSA-N 1 3 240.269 1.425 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000623657183 368997114 /nfs/dbraw/zinc/99/71/14/368997114.db2.gz KYKMQIYUBKZVCE-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623657183 368997121 /nfs/dbraw/zinc/99/71/21/368997121.db2.gz KYKMQIYUBKZVCE-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)CO1 ZINC000623657683 368999614 /nfs/dbraw/zinc/99/96/14/368999614.db2.gz WNNUXEHPIZMDFU-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657683 368999618 /nfs/dbraw/zinc/99/96/18/368999618.db2.gz WNNUXEHPIZMDFU-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657683 368999622 /nfs/dbraw/zinc/99/96/22/368999622.db2.gz WNNUXEHPIZMDFU-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000166179066 203387912 /nfs/dbraw/zinc/38/79/12/203387912.db2.gz PUXUXUZWSPHCIN-XDQVBPFNSA-N 1 3 240.391 1.658 20 0 BDADHO C1=CCC(C[NH2+][C@]23CCC[C@@H]2CNC3)C1 ZINC000631867232 370211913 /nfs/dbraw/zinc/21/19/13/370211913.db2.gz NCSNVSBWPBPNNZ-OLZOCXBDSA-N 1 3 206.333 1.684 20 0 BDADHO Cc1cc(CN2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000621775294 370523205 /nfs/dbraw/zinc/52/32/05/370523205.db2.gz LBEUEAMZUARWOA-ZDUSSCGKSA-N 1 3 233.359 1.951 20 0 BDADHO CCOCCC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621782198 370530913 /nfs/dbraw/zinc/53/09/13/370530913.db2.gz NMMJSDXWUSXPSO-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CCOCCC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621782198 370530916 /nfs/dbraw/zinc/53/09/16/370530916.db2.gz NMMJSDXWUSXPSO-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621782699 370532456 /nfs/dbraw/zinc/53/24/56/370532456.db2.gz RPVDZYMWOROMIS-QWHCGFSZSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621782699 370532457 /nfs/dbraw/zinc/53/24/57/370532457.db2.gz RPVDZYMWOROMIS-QWHCGFSZSA-N 1 3 226.364 1.615 20 0 BDADHO N[C@@]12CCC[C@@H]1C[N@H+](CCCCCF)C2 ZINC000621784037 370535664 /nfs/dbraw/zinc/53/56/64/370535664.db2.gz IQQOOCCWWKJPGW-VXGBXAGGSA-N 1 3 214.328 1.939 20 0 BDADHO N[C@@]12CCC[C@@H]1C[N@@H+](CCCCCF)C2 ZINC000621784037 370535666 /nfs/dbraw/zinc/53/56/66/370535666.db2.gz IQQOOCCWWKJPGW-VXGBXAGGSA-N 1 3 214.328 1.939 20 0 BDADHO N[C@]12CCC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784316 370535704 /nfs/dbraw/zinc/53/57/04/370535704.db2.gz NBSKITPRTZEXAD-CABCVRRESA-N 1 3 245.370 1.827 20 0 BDADHO N[C@]12CCC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784316 370535708 /nfs/dbraw/zinc/53/57/08/370535708.db2.gz NBSKITPRTZEXAD-CABCVRRESA-N 1 3 245.370 1.827 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCCO1 ZINC000623928209 371159165 /nfs/dbraw/zinc/15/91/65/371159165.db2.gz HYZDGAVUUMICPG-GXTWGEPZSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000624122412 371323578 /nfs/dbraw/zinc/32/35/78/371323578.db2.gz QQXBFASUGHHXRZ-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000624122412 371323583 /nfs/dbraw/zinc/32/35/83/371323583.db2.gz QQXBFASUGHHXRZ-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CCC(C)([NH3+])CC1 ZINC000631824450 372590328 /nfs/dbraw/zinc/59/03/28/372590328.db2.gz GUCANGHXRSVJOQ-WDEREUQCSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822906 372599988 /nfs/dbraw/zinc/59/99/88/372599988.db2.gz RPWTXTPAHAUKMR-FIQHERPVSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822906 372599991 /nfs/dbraw/zinc/59/99/91/372599991.db2.gz RPWTXTPAHAUKMR-FIQHERPVSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000631827671 372608029 /nfs/dbraw/zinc/60/80/29/372608029.db2.gz UHOLKMFNFISUIP-IHRRRGAJSA-N 1 3 238.375 1.487 20 0 BDADHO FC(F)[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000631866179 372666924 /nfs/dbraw/zinc/66/69/24/372666924.db2.gz UWQPDUWVMNFGTL-MNOVXSKESA-N 1 3 248.317 1.342 20 0 BDADHO Cc1n[nH]cc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459735856 206013544 /nfs/dbraw/zinc/01/35/44/206013544.db2.gz PVUZFGKCWNAEMY-LBPRGKRZSA-N 1 3 236.363 1.540 20 0 BDADHO Cc1n[nH]cc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459735856 206013550 /nfs/dbraw/zinc/01/35/50/206013550.db2.gz PVUZFGKCWNAEMY-LBPRGKRZSA-N 1 3 236.363 1.540 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](C(C)C)N(C)C ZINC000162747682 169002522 /nfs/dbraw/zinc/00/25/22/169002522.db2.gz SBQQSSZVDAQKTM-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CCCC[C@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098318 169006386 /nfs/dbraw/zinc/00/63/86/169006386.db2.gz HJCWQXSDOIJKBL-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220956823 134314792 /nfs/dbraw/zinc/31/47/92/134314792.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220956823 134314793 /nfs/dbraw/zinc/31/47/93/134314793.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220956823 134314794 /nfs/dbraw/zinc/31/47/94/134314794.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220956823 134314795 /nfs/dbraw/zinc/31/47/95/134314795.db2.gz DBIZBRJBORRAFW-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509716 183138863 /nfs/dbraw/zinc/13/88/63/183138863.db2.gz LGPJJDNBJVIJSP-IHRRRGAJSA-N 1 3 238.375 1.221 20 0 BDADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509716 183138864 /nfs/dbraw/zinc/13/88/64/183138864.db2.gz LGPJJDNBJVIJSP-IHRRRGAJSA-N 1 3 238.375 1.221 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336688733 169079492 /nfs/dbraw/zinc/07/94/92/169079492.db2.gz YQXIWZZFPUTYIQ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336688733 169079493 /nfs/dbraw/zinc/07/94/93/169079493.db2.gz YQXIWZZFPUTYIQ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@@H](CC)N(C)C ZINC000120892270 169120008 /nfs/dbraw/zinc/12/00/08/169120008.db2.gz GFSDHEMPCHSARK-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](CC)N(C)C ZINC000120892270 169120009 /nfs/dbraw/zinc/12/00/09/169120009.db2.gz GFSDHEMPCHSARK-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[NH+](CCC)CCCNC(=O)C1(N)CC1 ZINC000236990816 169147881 /nfs/dbraw/zinc/14/78/81/169147881.db2.gz KMKFOCXRJSUGSA-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCCN1CCC([NH2+]C[C@H](C)N(C)C)CC1 ZINC000038089003 169188125 /nfs/dbraw/zinc/18/81/25/169188125.db2.gz MMPQYBSAECUXMZ-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)c[nH]1 ZINC000175699063 183350315 /nfs/dbraw/zinc/35/03/15/183350315.db2.gz DWQFIAKJTKIIFF-UHFFFAOYSA-N 1 3 233.359 1.979 20 0 BDADHO c1cc(C[NH2+]CCCN2CCCCC2)c[nH]1 ZINC000085578847 183350370 /nfs/dbraw/zinc/35/03/70/183350370.db2.gz AAFQHWPRKXTQOM-UHFFFAOYSA-N 1 3 221.348 1.980 20 0 BDADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000295310918 169273219 /nfs/dbraw/zinc/27/32/19/169273219.db2.gz YJJJNLZCIPVIBP-WCQYABFASA-N 1 3 249.358 1.191 20 0 BDADHO CCC[C@@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374527 169388979 /nfs/dbraw/zinc/38/89/79/169388979.db2.gz GFEICUNAUXUQFA-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[N@H+](CCCN)C[C@H]1CCC(F)(F)C1 ZINC000301016325 383824826 /nfs/dbraw/zinc/82/48/26/383824826.db2.gz YSRKOMCMVYZLIO-VIFPVBQESA-N 1 3 206.280 1.702 20 0 BDADHO C[N@@H+](CCCN)C[C@H]1CCC(F)(F)C1 ZINC000301016325 383824831 /nfs/dbraw/zinc/82/48/31/383824831.db2.gz YSRKOMCMVYZLIO-VIFPVBQESA-N 1 3 206.280 1.702 20 0 BDADHO CN(CCC[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000301016325 383824835 /nfs/dbraw/zinc/82/48/35/383824835.db2.gz YSRKOMCMVYZLIO-VIFPVBQESA-N 1 3 206.280 1.702 20 0 BDADHO Cc1ccsc1CN1CC[C@H](C[NH3+])C1 ZINC000050245291 383986274 /nfs/dbraw/zinc/98/62/74/383986274.db2.gz RVCCJDBXWCCRCM-SNVBAGLBSA-N 1 3 210.346 1.837 20 0 BDADHO CC[C@]1(C)CC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000518547195 383997487 /nfs/dbraw/zinc/99/74/87/383997487.db2.gz YDTZXNKERHOTQT-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@]1(C)CC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000518547195 383997492 /nfs/dbraw/zinc/99/74/92/383997492.db2.gz YDTZXNKERHOTQT-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@]1(C)CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000518547195 383997498 /nfs/dbraw/zinc/99/74/98/383997498.db2.gz YDTZXNKERHOTQT-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CO1 ZINC000401909511 384247066 /nfs/dbraw/zinc/24/70/66/384247066.db2.gz VWQFWHIFIKIBBB-NEPJUHHUSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)CO1 ZINC000401909511 384247071 /nfs/dbraw/zinc/24/70/71/384247071.db2.gz VWQFWHIFIKIBBB-NEPJUHHUSA-N 1 3 212.337 1.239 20 0 BDADHO CCOCCC[N@@H+]1CCCC[C@@H]1CCN ZINC000083552506 384310939 /nfs/dbraw/zinc/31/09/39/384310939.db2.gz NGNUCOGSNHQSID-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCOCCC[N@H+]1CCCC[C@@H]1CCN ZINC000083552506 384310946 /nfs/dbraw/zinc/31/09/46/384310946.db2.gz NGNUCOGSNHQSID-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCOCCCN1CCCC[C@@H]1CC[NH3+] ZINC000083552506 384310950 /nfs/dbraw/zinc/31/09/50/384310950.db2.gz NGNUCOGSNHQSID-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCOCCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000083550000 384311922 /nfs/dbraw/zinc/31/19/22/384311922.db2.gz WYRRSQJASKEJAZ-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000332469093 384312846 /nfs/dbraw/zinc/31/28/46/384312846.db2.gz MPLCQGHZNFPEMD-RYUDHWBXSA-N 1 3 226.364 1.399 20 0 BDADHO CCOCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084215643 384377143 /nfs/dbraw/zinc/37/71/43/384377143.db2.gz KBLQAAFWXGTLLM-NEPJUHHUSA-N 1 3 214.353 1.520 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CCOCC1 ZINC000082544841 384430730 /nfs/dbraw/zinc/43/07/30/384430730.db2.gz VGZAXBZNHVMUBS-ZYHUDNBSSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CCOCC1 ZINC000082544841 384430733 /nfs/dbraw/zinc/43/07/33/384430733.db2.gz VGZAXBZNHVMUBS-ZYHUDNBSSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CCOCC1 ZINC000082544841 384430735 /nfs/dbraw/zinc/43/07/35/384430735.db2.gz VGZAXBZNHVMUBS-ZYHUDNBSSA-N 1 3 212.337 1.225 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000648180318 384462140 /nfs/dbraw/zinc/46/21/40/384462140.db2.gz VHTXKGXMVGHDRB-UHFFFAOYSA-N 1 3 249.358 1.910 20 0 BDADHO C[C@H]1OCCN(CCC2CC[NH2+]CC2)[C@H]1C ZINC000335663075 384472105 /nfs/dbraw/zinc/47/21/05/384472105.db2.gz LFPMDVKKJPZGNC-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO [NH3+]C[C@@H]1CCCN1C[C@@H]1CCSC1 ZINC000224621294 384480660 /nfs/dbraw/zinc/48/06/60/384480660.db2.gz GRVPJQXRTHZVOF-UWVGGRQHSA-N 1 3 200.351 1.163 20 0 BDADHO CC(C)C[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019429215 384522898 /nfs/dbraw/zinc/52/28/98/384522898.db2.gz XAGHWALOSPFSNU-NSHDSACASA-N 1 3 243.395 1.064 20 0 BDADHO CC(C)C[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000161879097 384537715 /nfs/dbraw/zinc/53/77/15/384537715.db2.gz KOIKJYZNRUUXPF-RYUDHWBXSA-N 1 3 243.395 1.192 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000306020791 384565464 /nfs/dbraw/zinc/56/54/64/384565464.db2.gz NWUMQTLKOUMEBW-UHFFFAOYSA-N 1 3 248.370 1.582 20 0 BDADHO Cc1cccc(CCN[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000423090696 384566660 /nfs/dbraw/zinc/56/66/60/384566660.db2.gz YGIXQSNCALWCDJ-JQWIXIFHSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccc(CC[NH2+][C@@H](C)C[C@H](C)N)n1 ZINC000423090696 384566666 /nfs/dbraw/zinc/56/66/66/384566666.db2.gz YGIXQSNCALWCDJ-JQWIXIFHSA-N 1 3 221.348 1.648 20 0 BDADHO Cn1cccc1CNCC1=CC[N@H+](C)CC1 ZINC000271867174 384650431 /nfs/dbraw/zinc/65/04/31/384650431.db2.gz WNWMUNITSWEUMH-UHFFFAOYSA-N 1 3 219.332 1.377 20 0 BDADHO Cn1cccc1CNCC1=CC[N@@H+](C)CC1 ZINC000271867174 384650437 /nfs/dbraw/zinc/65/04/37/384650437.db2.gz WNWMUNITSWEUMH-UHFFFAOYSA-N 1 3 219.332 1.377 20 0 BDADHO Cn1cccc1C[NH2+]CC1=CCN(C)CC1 ZINC000271867174 384650441 /nfs/dbraw/zinc/65/04/41/384650441.db2.gz WNWMUNITSWEUMH-UHFFFAOYSA-N 1 3 219.332 1.377 20 0 BDADHO CN1CCN(CC[NH2+]CC2CC2)CC1(C)C ZINC000082485267 384684861 /nfs/dbraw/zinc/68/48/61/384684861.db2.gz OQAWTSZFEWGGFW-UHFFFAOYSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182970 384718801 /nfs/dbraw/zinc/71/88/01/384718801.db2.gz MDDODENHYHIVBM-QEYWKRMJSA-N 1 3 236.306 1.251 20 0 BDADHO C[C@H]1CCC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000336191131 384720704 /nfs/dbraw/zinc/72/07/04/384720704.db2.gz CBSJQKLKRRUMEL-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449094430 384721795 /nfs/dbraw/zinc/72/17/95/384721795.db2.gz RXROJPXUDDMRNB-AAVRWANBSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449094430 384721799 /nfs/dbraw/zinc/72/17/99/384721799.db2.gz RXROJPXUDDMRNB-AAVRWANBSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000449094430 384721801 /nfs/dbraw/zinc/72/18/01/384721801.db2.gz RXROJPXUDDMRNB-AAVRWANBSA-N 1 3 240.391 1.874 20 0 BDADHO Cc1nc2ccccn2c1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000518185873 384778948 /nfs/dbraw/zinc/77/89/48/384778948.db2.gz URQLVXULYGDVHE-MNOVXSKESA-N 1 3 246.358 1.858 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)ncn2C ZINC000647552262 384757578 /nfs/dbraw/zinc/75/75/78/384757578.db2.gz NUDLTIWKZDTFDM-WDEREUQCSA-N 1 3 246.358 1.789 20 0 BDADHO C[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000054343556 384833058 /nfs/dbraw/zinc/83/30/58/384833058.db2.gz PBWRUOYZBIZNOU-YPMHNXCESA-N 1 3 249.358 1.000 20 0 BDADHO C[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000054343562 384833341 /nfs/dbraw/zinc/83/33/41/384833341.db2.gz PBWRUOYZBIZNOU-DGCLKSJQSA-N 1 3 249.358 1.000 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CCc2ccc(F)cc21 ZINC000423294006 384788525 /nfs/dbraw/zinc/78/85/25/384788525.db2.gz AXQWSNLWIGRMBR-ZANVPECISA-N 1 3 222.307 1.997 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCOC2)C[C@H]1CN ZINC000397331968 384796087 /nfs/dbraw/zinc/79/60/87/384796087.db2.gz RHHZQBMFDJUKJK-MROQNXINSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCOC2)C[C@H]1CN ZINC000397331968 384796093 /nfs/dbraw/zinc/79/60/93/384796093.db2.gz RHHZQBMFDJUKJK-MROQNXINSA-N 1 3 226.364 1.328 20 0 BDADHO c1ccc(COCCNC[C@H]2CCC[NH2+]C2)cc1 ZINC000390011222 384806309 /nfs/dbraw/zinc/80/63/09/384806309.db2.gz JDKAEBOCEAMTET-HNNXBMFYSA-N 1 3 248.370 1.792 20 0 BDADHO c1ccc(COCC[NH2+]C[C@H]2CCCNC2)cc1 ZINC000390011222 384806315 /nfs/dbraw/zinc/80/63/15/384806315.db2.gz JDKAEBOCEAMTET-HNNXBMFYSA-N 1 3 248.370 1.792 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CN(C)C[C@H]1C ZINC000336755829 384841862 /nfs/dbraw/zinc/84/18/62/384841862.db2.gz GNLGIAKQYNXRBD-CHWSQXEVSA-N 1 3 227.396 1.258 20 0 BDADHO C[C@H]([NH2+]CCOC(F)(F)F)[C@H]1CCCCN1 ZINC000398209394 384846102 /nfs/dbraw/zinc/84/61/02/384846102.db2.gz DCRIHPLZLGOZMT-DTWKUNHWSA-N 1 3 240.269 1.643 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000398240930 384861519 /nfs/dbraw/zinc/86/15/19/384861519.db2.gz WXGCJTBLOKTHRB-VHSXEESVSA-N 1 3 236.306 1.723 20 0 BDADHO COC(C)(C)[C@H](C)[NH2+]CCCN1CCCC1 ZINC000300802929 384953949 /nfs/dbraw/zinc/95/39/49/384953949.db2.gz APPNRHUXRLDUKJ-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO COC(C)(C)[C@H](C)NCCC[NH+]1CCCC1 ZINC000300802929 384953954 /nfs/dbraw/zinc/95/39/54/384953954.db2.gz APPNRHUXRLDUKJ-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cccc(F)c1 ZINC000259026904 384958981 /nfs/dbraw/zinc/95/89/81/384958981.db2.gz OOSWRNXEAWWVHD-CHWSQXEVSA-N 1 3 222.307 1.838 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000306016299 384916723 /nfs/dbraw/zinc/91/67/23/384916723.db2.gz RYPDKCRVIWFVOZ-RDBSUJKOSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000156663525 384920336 /nfs/dbraw/zinc/92/03/36/384920336.db2.gz QGRXGHKHYFEEMV-NEPJUHHUSA-N 1 3 243.395 1.016 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2c1NCC2 ZINC000566230026 384959570 /nfs/dbraw/zinc/95/95/70/384959570.db2.gz AAYVNGZHROHGDM-GHMZBOCLSA-N 1 3 233.359 1.870 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644531297 384934382 /nfs/dbraw/zinc/93/43/82/384934382.db2.gz IXHVOLIRXPCMMX-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](C)O)C1 ZINC000644531297 384934390 /nfs/dbraw/zinc/93/43/90/384934390.db2.gz IXHVOLIRXPCMMX-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](C)O)C1 ZINC000644531297 384934395 /nfs/dbraw/zinc/93/43/95/384934395.db2.gz IXHVOLIRXPCMMX-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc2c(c1)ncn2C ZINC000258671683 384936540 /nfs/dbraw/zinc/93/65/40/384936540.db2.gz CUFWZYIBUXKPQJ-JTQLQIEISA-N 1 3 232.331 1.258 20 0 BDADHO C[C@@H](O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000226437498 385021325 /nfs/dbraw/zinc/02/13/25/385021325.db2.gz FFDBCCRFMOCKGP-VXGBXAGGSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H](O)C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000226437498 385021332 /nfs/dbraw/zinc/02/13/32/385021332.db2.gz FFDBCCRFMOCKGP-VXGBXAGGSA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)[C@@H]1CC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000423494609 385001292 /nfs/dbraw/zinc/00/12/92/385001292.db2.gz SIOZZULIONNINA-AVGNSLFASA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@H](N)CC(C)C)[C@H](C)C1 ZINC000300930200 385053792 /nfs/dbraw/zinc/05/37/92/385053792.db2.gz QXAYOJNPSRTURZ-JHJVBQTASA-N 1 3 228.380 1.859 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@H](N)CC(C)C)[C@H](C)C1 ZINC000300930200 385053798 /nfs/dbraw/zinc/05/37/98/385053798.db2.gz QXAYOJNPSRTURZ-JHJVBQTASA-N 1 3 228.380 1.859 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1ccccc1 ZINC000404789848 385060781 /nfs/dbraw/zinc/06/07/81/385060781.db2.gz QVDRLMAACBDANJ-OLZOCXBDSA-N 1 3 218.344 1.945 20 0 BDADHO CC[C@@H](CNC1CC[NH+](C(C)C)CC1)OC ZINC000336671078 385070710 /nfs/dbraw/zinc/07/07/10/385070710.db2.gz NOMAPTYZSLFULW-ZDUSSCGKSA-N 1 3 228.380 1.874 20 0 BDADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423552369 385027014 /nfs/dbraw/zinc/02/70/14/385027014.db2.gz JSQRDBIZBGAGNW-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206349 385027534 /nfs/dbraw/zinc/02/75/34/385027534.db2.gz PSRFCCHJSYWWHR-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)CO1 ZINC000647206349 385027539 /nfs/dbraw/zinc/02/75/39/385027539.db2.gz PSRFCCHJSYWWHR-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C1CC12C[C@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181272 385109073 /nfs/dbraw/zinc/10/90/73/385109073.db2.gz BTJNLRXZRCSBOR-IJLUTSLNSA-N 1 3 206.333 1.755 20 0 BDADHO C1CC12C[C@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181272 385109076 /nfs/dbraw/zinc/10/90/76/385109076.db2.gz BTJNLRXZRCSBOR-IJLUTSLNSA-N 1 3 206.333 1.755 20 0 BDADHO C1CC12C[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181278 385109509 /nfs/dbraw/zinc/10/95/09/385109509.db2.gz BTJNLRXZRCSBOR-UTUOFQBUSA-N 1 3 206.333 1.755 20 0 BDADHO C1CC12C[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181278 385109515 /nfs/dbraw/zinc/10/95/15/385109515.db2.gz BTJNLRXZRCSBOR-UTUOFQBUSA-N 1 3 206.333 1.755 20 0 BDADHO C[C@@H]1C[C@H](NCCc2cnccn2)CC[N@@H+]1C ZINC000341883024 385114042 /nfs/dbraw/zinc/11/40/42/385114042.db2.gz TZKJPRVMKUMOMR-VXGBXAGGSA-N 1 3 234.347 1.091 20 0 BDADHO C[C@@H]1C[C@H](NCCc2cnccn2)CC[N@H+]1C ZINC000341883024 385114045 /nfs/dbraw/zinc/11/40/45/385114045.db2.gz TZKJPRVMKUMOMR-VXGBXAGGSA-N 1 3 234.347 1.091 20 0 BDADHO C(CN(C1CC1)C1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000647482691 385211135 /nfs/dbraw/zinc/21/11/35/385211135.db2.gz YQXFEIDDGZWMDL-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO CCOC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000044723675 385218053 /nfs/dbraw/zinc/21/80/53/385218053.db2.gz LGUGEXLBEZTQIT-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCOC[C@@H](C)NCCC[NH+]1CCCC1 ZINC000044723675 385218060 /nfs/dbraw/zinc/21/80/60/385218060.db2.gz LGUGEXLBEZTQIT-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCOC[C@H](C)[NH2+]CCCN1CCCC1 ZINC000044723677 385219037 /nfs/dbraw/zinc/21/90/37/385219037.db2.gz LGUGEXLBEZTQIT-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CCOC[C@H](C)NCCC[NH+]1CCCC1 ZINC000044723677 385219042 /nfs/dbraw/zinc/21/90/42/385219042.db2.gz LGUGEXLBEZTQIT-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000336352567 385240628 /nfs/dbraw/zinc/24/06/28/385240628.db2.gz YMWWKQCRULNQHY-LBPRGKRZSA-N 1 3 224.348 1.405 20 0 BDADHO COC[C@@H]([NH2+]CCCN(C)C(C)C)C(C)C ZINC000166565974 385255914 /nfs/dbraw/zinc/25/59/14/385255914.db2.gz UYWJMZUTUMBNRW-CYBMUJFWSA-N 1 3 230.396 1.977 20 0 BDADHO COC[C@@H](NCCC[N@H+](C)C(C)C)C(C)C ZINC000166565974 385255921 /nfs/dbraw/zinc/25/59/21/385255921.db2.gz UYWJMZUTUMBNRW-CYBMUJFWSA-N 1 3 230.396 1.977 20 0 BDADHO COC[C@@H](NCCC[N@@H+](C)C(C)C)C(C)C ZINC000166565974 385255927 /nfs/dbraw/zinc/25/59/27/385255927.db2.gz UYWJMZUTUMBNRW-CYBMUJFWSA-N 1 3 230.396 1.977 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220690497 385264731 /nfs/dbraw/zinc/26/47/31/385264731.db2.gz DHNAFYYILJJUMF-ONGXEEELSA-N 1 3 214.378 1.599 20 0 BDADHO c1ncc(CNCCC[C@H]2CCC[NH2+]2)s1 ZINC000309018143 385373234 /nfs/dbraw/zinc/37/32/34/385373234.db2.gz VLBBDIJSOIPRIB-JTQLQIEISA-N 1 3 225.361 1.765 20 0 BDADHO COCC(C)(C)NCC[C@H]1CCC[N@@H+]1C ZINC000179421905 385374025 /nfs/dbraw/zinc/37/40/25/385374025.db2.gz LRPCEKGMKSEOKJ-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO COCC(C)(C)NCC[C@H]1CCC[N@H+]1C ZINC000179421905 385374029 /nfs/dbraw/zinc/37/40/29/385374029.db2.gz LRPCEKGMKSEOKJ-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO Cc1cncc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000299932446 385326819 /nfs/dbraw/zinc/32/68/19/385326819.db2.gz YHTRSBVMKSCJRN-KKUMJFAQSA-N 1 3 245.370 1.949 20 0 BDADHO CO[C@@H](C)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000182187394 385433062 /nfs/dbraw/zinc/43/30/62/385433062.db2.gz ZXSAYAPZPNXNSJ-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO CO[C@@H](C)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000182187394 385433066 /nfs/dbraw/zinc/43/30/66/385433066.db2.gz ZXSAYAPZPNXNSJ-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO CC(C)OCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405307339 385467322 /nfs/dbraw/zinc/46/73/22/385467322.db2.gz LKHIZRZWYFGNEF-UWVGGRQHSA-N 1 3 200.326 1.127 20 0 BDADHO CC(C)OCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000405307339 385467324 /nfs/dbraw/zinc/46/73/24/385467324.db2.gz LKHIZRZWYFGNEF-UWVGGRQHSA-N 1 3 200.326 1.127 20 0 BDADHO CCN(CC)CCC[NH2+]C(C)(C)C(C)(C)O ZINC000309412618 385573634 /nfs/dbraw/zinc/57/36/34/385573634.db2.gz CBRNXGFTJVCTJH-UHFFFAOYSA-N 1 3 230.396 1.857 20 0 BDADHO CC[NH+](CC)CCCNC(C)(C)C(C)(C)O ZINC000309412618 385573636 /nfs/dbraw/zinc/57/36/36/385573636.db2.gz CBRNXGFTJVCTJH-UHFFFAOYSA-N 1 3 230.396 1.857 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CC1(C)C ZINC000309460929 385592487 /nfs/dbraw/zinc/59/24/87/385592487.db2.gz OUUZFJRBTFHNGH-NEPJUHHUSA-N 1 3 228.380 1.589 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000336678665 385616705 /nfs/dbraw/zinc/61/67/05/385616705.db2.gz BYQDXTXHYWMFDI-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CCN(CC)CCC[NH2+]CC(C)(C)COC ZINC000309499433 385624344 /nfs/dbraw/zinc/62/43/44/385624344.db2.gz ZICHYKFMOKNJGR-UHFFFAOYSA-N 1 3 230.396 1.981 20 0 BDADHO FCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336680074 385626152 /nfs/dbraw/zinc/62/61/52/385626152.db2.gz IUDCCRMJPNSTKJ-RYUDHWBXSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336680074 385626156 /nfs/dbraw/zinc/62/61/56/385626156.db2.gz IUDCCRMJPNSTKJ-RYUDHWBXSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000336680074 385626160 /nfs/dbraw/zinc/62/61/60/385626160.db2.gz IUDCCRMJPNSTKJ-RYUDHWBXSA-N 1 3 214.328 1.953 20 0 BDADHO C[C@@]1(CN2CCCSCC2)CC[NH2+]C1 ZINC000062911600 385611780 /nfs/dbraw/zinc/61/17/80/385611780.db2.gz WFMYGNGACPZHRU-LLVKDONJSA-N 1 3 214.378 1.425 20 0 BDADHO C[C@@H](C[NH2+]C[C@H]1CCCN1)CC1CCOCC1 ZINC000414850473 385638116 /nfs/dbraw/zinc/63/81/16/385638116.db2.gz SHRLEYMFSTUVTP-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCCCCF)C1 ZINC000336681967 385638804 /nfs/dbraw/zinc/63/88/04/385638804.db2.gz HYFSCKLIHKJPIC-QWRGUYRKSA-N 1 3 202.317 1.795 20 0 BDADHO CC[C@@H](Cc1ccccc1)[NH2+]CCCN ZINC000116385721 385729690 /nfs/dbraw/zinc/72/96/90/385729690.db2.gz UDEWFYVJUOZNMZ-ZDUSSCGKSA-N 1 3 206.333 1.946 20 0 BDADHO C[C@@H](CC1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000414858983 385734641 /nfs/dbraw/zinc/73/46/41/385734641.db2.gz AEKRGUPVJVTENX-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](COC)NC[C@@H](C)C[NH+](C)C ZINC000336699649 385757337 /nfs/dbraw/zinc/75/73/37/385757337.db2.gz WUAALTMPLMDUKC-GHMZBOCLSA-N 1 3 202.342 1.199 20 0 BDADHO CN(C)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000309648207 385767730 /nfs/dbraw/zinc/76/77/30/385767730.db2.gz MZPKXGUHUDYNGI-YNEHKIRRSA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309648207 385767736 /nfs/dbraw/zinc/76/77/36/385767736.db2.gz MZPKXGUHUDYNGI-YNEHKIRRSA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309648207 385767742 /nfs/dbraw/zinc/76/77/42/385767742.db2.gz MZPKXGUHUDYNGI-YNEHKIRRSA-N 1 3 225.380 1.010 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](CCO)C(C)C ZINC000309666605 385781250 /nfs/dbraw/zinc/78/12/50/385781250.db2.gz ULGKZKYDEVAAEC-ZDUSSCGKSA-N 1 3 230.396 1.715 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@H]1CCNC[C@H]1C ZINC000414945406 385799019 /nfs/dbraw/zinc/79/90/19/385799019.db2.gz RLOWHUKRHRQPFP-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CCCC[C@H](COC)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414945406 385799027 /nfs/dbraw/zinc/79/90/27/385799027.db2.gz RLOWHUKRHRQPFP-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H]([NH2+]C1CCNCC1)C1CCSCC1 ZINC000335570511 385804678 /nfs/dbraw/zinc/80/46/78/385804678.db2.gz VWBSYCNPORRPGD-JTQLQIEISA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)CN(C)C ZINC000336714747 385811610 /nfs/dbraw/zinc/81/16/10/385811610.db2.gz WEBKYTOZJAVIGZ-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)CC(F)F ZINC000647801588 385813013 /nfs/dbraw/zinc/81/30/13/385813013.db2.gz YRNQFLREZYXPHN-XHNCKOQMSA-N 1 3 208.296 1.993 20 0 BDADHO C[C@H](CN)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414869591 385837165 /nfs/dbraw/zinc/83/71/65/385837165.db2.gz ARVNRHJRABIEFV-CYBMUJFWSA-N 1 3 247.386 1.840 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]C[C@@H](C)CN ZINC000414869227 385837229 /nfs/dbraw/zinc/83/72/29/385837229.db2.gz AIOCOPPCTLABLQ-WDEREUQCSA-N 1 3 202.342 1.232 20 0 BDADHO C[C@H]1SCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804411 385840525 /nfs/dbraw/zinc/84/05/25/385840525.db2.gz PYFLYCFFYYAVSE-NXQJVVEESA-N 1 3 226.389 1.753 20 0 BDADHO C[C@H](C[NH3+])C(=O)N(CCN(C)C)c1ccccc1 ZINC000262357874 385844412 /nfs/dbraw/zinc/84/44/12/385844412.db2.gz JZMUCHUQCKQXCD-GFCCVEGCSA-N 1 3 249.358 1.176 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000366630317 385855145 /nfs/dbraw/zinc/85/51/45/385855145.db2.gz QPNUOTUPCKJBOI-QWHCGFSZSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000366630317 385855149 /nfs/dbraw/zinc/85/51/49/385855149.db2.gz QPNUOTUPCKJBOI-QWHCGFSZSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@H](O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000366630317 385855153 /nfs/dbraw/zinc/85/51/53/385855153.db2.gz QPNUOTUPCKJBOI-QWHCGFSZSA-N 1 3 228.380 1.419 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000294927473 385919342 /nfs/dbraw/zinc/91/93/42/385919342.db2.gz DBNUWWNZPIUXIU-VHSXEESVSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@@H](C(=O)Nc1ccc2c(c1)CNCC2)[C@H](C)[NH3+] ZINC000294927477 385919835 /nfs/dbraw/zinc/91/98/35/385919835.db2.gz DBNUWWNZPIUXIU-ZJUUUORDSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc(-n2cccn2)cc1 ZINC000414872930 385871701 /nfs/dbraw/zinc/87/17/01/385871701.db2.gz GPDHHQXTDQSFBQ-LBPRGKRZSA-N 1 3 244.342 1.557 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000414967280 385928222 /nfs/dbraw/zinc/92/82/22/385928222.db2.gz HIGPXKWNNDFFEB-LBPRGKRZSA-N 1 3 249.358 1.717 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992903 /nfs/dbraw/zinc/99/29/03/385992903.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992907 /nfs/dbraw/zinc/99/29/07/385992907.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992911 /nfs/dbraw/zinc/99/29/11/385992911.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417308 385992917 /nfs/dbraw/zinc/99/29/17/385992917.db2.gz HKGOQSWKQQNBCI-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCC1(O)CCCCC1 ZINC000335040217 385934615 /nfs/dbraw/zinc/93/46/15/385934615.db2.gz CNDNDVJDCMPHFT-WDEREUQCSA-N 1 3 212.337 1.151 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000338291484 385944718 /nfs/dbraw/zinc/94/47/18/385944718.db2.gz XUFIVSJLSFOODE-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000338291484 385944723 /nfs/dbraw/zinc/94/47/23/385944723.db2.gz XUFIVSJLSFOODE-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO COc1cc(CNC[C@H](C)C[NH3+])ccc1C ZINC000414879127 385947770 /nfs/dbraw/zinc/94/77/70/385947770.db2.gz PDHALTFISGORJA-SNVBAGLBSA-N 1 3 222.332 1.688 20 0 BDADHO CO[C@H](CN1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000425399847 385948637 /nfs/dbraw/zinc/94/86/37/385948637.db2.gz FDGKFPTYVTURIR-WCQYABFASA-N 1 3 226.364 1.295 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@](O)(CC)C1 ZINC000338326536 385959654 /nfs/dbraw/zinc/95/96/54/385959654.db2.gz ZWYKXIJERRAEEA-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@](O)(CC)C1 ZINC000338326536 385959659 /nfs/dbraw/zinc/95/96/59/385959659.db2.gz ZWYKXIJERRAEEA-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251240668 385961189 /nfs/dbraw/zinc/96/11/89/385961189.db2.gz ITXSGTHRSHGYMT-FQUUOJAGSA-N 1 3 240.391 1.658 20 0 BDADHO COC[C@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000220373039 385965136 /nfs/dbraw/zinc/96/51/36/385965136.db2.gz FFQPPOQSNNTSNE-JTQLQIEISA-N 1 3 200.326 1.082 20 0 BDADHO COC[C@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000220373039 385965140 /nfs/dbraw/zinc/96/51/40/385965140.db2.gz FFQPPOQSNNTSNE-JTQLQIEISA-N 1 3 200.326 1.082 20 0 BDADHO CCCC[C@@H](COC)[NH2+]C[C@@H](C)CN ZINC000414882815 386020789 /nfs/dbraw/zinc/02/07/89/386020789.db2.gz UORRVYCWGRXHIY-QWRGUYRKSA-N 1 3 202.342 1.376 20 0 BDADHO Cc1nnsc1CNCC1CC[NH+](C)CC1 ZINC000309801534 386027761 /nfs/dbraw/zinc/02/77/61/386027761.db2.gz WOCCOMBDNZPLOU-UHFFFAOYSA-N 1 3 240.376 1.278 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414986582 386111977 /nfs/dbraw/zinc/11/19/77/386111977.db2.gz XTZKSKUGMRFGOT-LLVKDONJSA-N 1 3 218.304 1.390 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN(CC(C)(C)O)C1CC1 ZINC000189889580 386114947 /nfs/dbraw/zinc/11/49/47/386114947.db2.gz YIVWIDYWCOJAGT-LBPRGKRZSA-N 1 3 240.391 1.706 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN(CC(C)(C)O)C1CC1 ZINC000189889580 386114951 /nfs/dbraw/zinc/11/49/51/386114951.db2.gz YIVWIDYWCOJAGT-LBPRGKRZSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H](CC[NH3+])NCc1ccc2c(c1)ncn2C ZINC000414892832 386149836 /nfs/dbraw/zinc/14/98/36/386149836.db2.gz JPAFPCYHANSMIE-SNVBAGLBSA-N 1 3 232.331 1.400 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)N(CC)CC ZINC000346168576 386173595 /nfs/dbraw/zinc/17/35/95/386173595.db2.gz UARYRCQCCIBUIT-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO [NH3+]CCCN(CCO)[C@H]1CCc2ccccc21 ZINC000414692697 386182505 /nfs/dbraw/zinc/18/25/05/386182505.db2.gz KVSICMFXBXAMOP-AWEZNQCLSA-N 1 3 234.343 1.317 20 0 BDADHO CC[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000339006184 386203004 /nfs/dbraw/zinc/20/30/04/386203004.db2.gz WRPDQJBPIOBNDP-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000339006184 386203007 /nfs/dbraw/zinc/20/30/07/386203007.db2.gz WRPDQJBPIOBNDP-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000339006048 386204923 /nfs/dbraw/zinc/20/49/23/386204923.db2.gz PLGBROANGWLKFG-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000339006048 386204931 /nfs/dbraw/zinc/20/49/31/386204931.db2.gz PLGBROANGWLKFG-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C[C@@H](C)O1 ZINC000414699417 386205531 /nfs/dbraw/zinc/20/55/31/386205531.db2.gz YOGDCOJRSNNUPN-AAVRWANBSA-N 1 3 240.391 1.874 20 0 BDADHO CCC(CC)(CO)NC[C@H]([NH3+])CC(C)C ZINC000414706956 386221484 /nfs/dbraw/zinc/22/14/84/386221484.db2.gz LWDKCJOUMMFUAP-LLVKDONJSA-N 1 3 216.369 1.501 20 0 BDADHO CCS[C@@H]1CC[C@H]([N@H+](C)CCCN)C1 ZINC000414712646 386229768 /nfs/dbraw/zinc/22/97/68/386229768.db2.gz UXCMPICJZYUFFE-WDEREUQCSA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCN)C1 ZINC000414712646 386229772 /nfs/dbraw/zinc/22/97/72/386229772.db2.gz UXCMPICJZYUFFE-WDEREUQCSA-N 1 3 216.394 1.941 20 0 BDADHO CCS[C@@H]1CC[C@H](N(C)CCC[NH3+])C1 ZINC000414712646 386229778 /nfs/dbraw/zinc/22/97/78/386229778.db2.gz UXCMPICJZYUFFE-WDEREUQCSA-N 1 3 216.394 1.941 20 0 BDADHO CCC1(C[N@@H+]2CCC[C@H](CN)C2)CCOCC1 ZINC000347112649 386232015 /nfs/dbraw/zinc/23/20/15/386232015.db2.gz RFYSPIMRVSRLMI-CYBMUJFWSA-N 1 3 240.391 1.864 20 0 BDADHO CCC1(C[N@H+]2CCC[C@H](CN)C2)CCOCC1 ZINC000347112649 386232019 /nfs/dbraw/zinc/23/20/19/386232019.db2.gz RFYSPIMRVSRLMI-CYBMUJFWSA-N 1 3 240.391 1.864 20 0 BDADHO CN(CCC[NH3+])[C@H]1CCCN(c2ccccc2)C1 ZINC000414714492 386233339 /nfs/dbraw/zinc/23/33/39/386233339.db2.gz VTTFUQHIAZINMQ-HNNXBMFYSA-N 1 3 247.386 1.936 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415001965 386238743 /nfs/dbraw/zinc/23/87/43/386238743.db2.gz DAXREGGQXVGSPR-RYUDHWBXSA-N 1 3 244.342 1.698 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H](C)N ZINC000415001963 386239439 /nfs/dbraw/zinc/23/94/39/386239439.db2.gz DAXREGGQXVGSPR-NWDGAFQWSA-N 1 3 244.342 1.698 20 0 BDADHO Oc1ccc2c(c1)CCN(C[C@H]1CC[NH2+]C1)CC2 ZINC000647883001 386241541 /nfs/dbraw/zinc/24/15/41/386241541.db2.gz YUVKUIKTSXDWFE-LBPRGKRZSA-N 1 3 246.354 1.402 20 0 BDADHO C[C@@H](CCN)[NH2+]C1Cc2ccccc2C1 ZINC000414900702 386285908 /nfs/dbraw/zinc/28/59/08/386285908.db2.gz WLWJFLCNCGFYDM-JTQLQIEISA-N 1 3 204.317 1.481 20 0 BDADHO C[C@@H](CC[NH3+])NC1Cc2ccccc2C1 ZINC000414900702 386285913 /nfs/dbraw/zinc/28/59/13/386285913.db2.gz WLWJFLCNCGFYDM-JTQLQIEISA-N 1 3 204.317 1.481 20 0 BDADHO CN(CCCCCO)CC[C@H]1CCC[N@@H+]1C ZINC000336667782 386295655 /nfs/dbraw/zinc/29/56/55/386295655.db2.gz OSRZZQDZZUBGSE-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CN(CCCCCO)CC[C@H]1CCC[N@H+]1C ZINC000336667782 386295658 /nfs/dbraw/zinc/29/56/58/386295658.db2.gz OSRZZQDZZUBGSE-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000265022764 386297800 /nfs/dbraw/zinc/29/78/00/386297800.db2.gz STOSQHKYDZRGRS-CYBMUJFWSA-N 1 3 233.359 1.508 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000265022764 386297805 /nfs/dbraw/zinc/29/78/05/386297805.db2.gz STOSQHKYDZRGRS-CYBMUJFWSA-N 1 3 233.359 1.508 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H](C)N ZINC000415005175 386298327 /nfs/dbraw/zinc/29/83/27/386298327.db2.gz ISGCDIBWIVWTAS-WDEREUQCSA-N 1 3 245.330 1.093 20 0 BDADHO C[C@@H]1COCCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414739816 386312498 /nfs/dbraw/zinc/31/24/98/386312498.db2.gz KMWGHAQLRWSNJM-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1COCCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414739819 386313907 /nfs/dbraw/zinc/31/39/07/386313907.db2.gz KMWGHAQLRWSNJM-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1CC[NH2+]C(C)(C)C ZINC000414739144 386321533 /nfs/dbraw/zinc/32/15/33/386321533.db2.gz JYBMTERMIWWGRV-NWDGAFQWSA-N 1 3 227.396 1.399 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428039476 386269457 /nfs/dbraw/zinc/26/94/57/386269457.db2.gz FGLYGPVADCYIQD-UONOGXRCSA-N 1 3 248.374 1.265 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)[C@@H](C(C)C)C1 ZINC000414744858 386340028 /nfs/dbraw/zinc/34/00/28/386340028.db2.gz QHKWDNZGWMOVIU-ZIAGYGMSSA-N 1 3 241.423 1.632 20 0 BDADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(N)CC1 ZINC000237050361 386347508 /nfs/dbraw/zinc/34/75/08/386347508.db2.gz AVBJGPFPITWBQD-UHFFFAOYSA-N 1 3 247.342 1.486 20 0 BDADHO Cc1n[nH]c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335269151 386351270 /nfs/dbraw/zinc/35/12/70/386351270.db2.gz KJJZMIGXDMUTGQ-BETUJISGSA-N 1 3 248.374 1.458 20 0 BDADHO Cc1ncccc1C[NH2+]CCCN(C)C ZINC000157087291 386379646 /nfs/dbraw/zinc/37/96/46/386379646.db2.gz YIKDQPTWVGMXLM-UHFFFAOYSA-N 1 3 207.321 1.431 20 0 BDADHO CO[C@]1(C)C[C@H](N(C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890705 386380657 /nfs/dbraw/zinc/38/06/57/386380657.db2.gz HVSCLYQPKLDMRQ-MBNYWOFBSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H](CCN)[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414902982 386335215 /nfs/dbraw/zinc/33/52/15/386335215.db2.gz ZCPFBVKFSNVCKN-NWDGAFQWSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCOC2)C[C@H]1CN ZINC000397312741 386437129 /nfs/dbraw/zinc/43/71/29/386437129.db2.gz PKKOKHACEFXEJF-XJFOESAGSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCOC2)C[C@H]1CN ZINC000397312741 386437134 /nfs/dbraw/zinc/43/71/34/386437134.db2.gz PKKOKHACEFXEJF-XJFOESAGSA-N 1 3 240.391 1.718 20 0 BDADHO Cc1nc(CNCC2CC[NH+](C)CC2)[nH]c1C ZINC000519426068 386443642 /nfs/dbraw/zinc/44/36/42/386443642.db2.gz DBMAXWHUGWNLSU-UHFFFAOYSA-N 1 3 236.363 1.458 20 0 BDADHO C[NH+](C)CC1CCN(CCOCC2CC2)CC1 ZINC000336718881 386447482 /nfs/dbraw/zinc/44/74/82/386447482.db2.gz XLFYZICXOOGZFI-UHFFFAOYSA-N 1 3 240.391 1.687 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](C)CC[C@H]1CCCO1 ZINC000414757391 386402452 /nfs/dbraw/zinc/40/24/52/386402452.db2.gz LBTLKVJJSFVUNF-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000414757391 386402456 /nfs/dbraw/zinc/40/24/56/386402456.db2.gz LBTLKVJJSFVUNF-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CCCC[C@@H](COC)NCC[C@H]1CCC[NH2+]1 ZINC000414909625 386410581 /nfs/dbraw/zinc/41/05/81/386410581.db2.gz TWNVBXLYFNFGJO-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO C[C@@H](O)CCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427790 386420572 /nfs/dbraw/zinc/42/05/72/386420572.db2.gz BOZFJUJYPPSTQH-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](O)CCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427790 386420574 /nfs/dbraw/zinc/42/05/74/386420574.db2.gz BOZFJUJYPPSTQH-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000227559658 386491667 /nfs/dbraw/zinc/49/16/67/386491667.db2.gz HHRAMLWQPCMAKD-IJLUTSLNSA-N 1 3 214.353 1.255 20 0 BDADHO COc1ccc2c(c1)C[C@H](N[C@H](C)[C@@H](C)[NH3+])CC2 ZINC000415017052 386503415 /nfs/dbraw/zinc/50/34/15/386503415.db2.gz PGENOUVLSZHOIA-JTNHKYCSSA-N 1 3 248.370 1.878 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@]1(C)CCCO1 ZINC000340366523 386504305 /nfs/dbraw/zinc/50/43/05/386504305.db2.gz PJPPKTBEBSSSSA-QWHCGFSZSA-N 1 3 244.379 1.112 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000335447204 386514415 /nfs/dbraw/zinc/51/44/15/386514415.db2.gz ABZQENZPWNNTMM-QWRGUYRKSA-N 1 3 222.336 1.277 20 0 BDADHO CC(C)C[C@H](C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415030196 386519267 /nfs/dbraw/zinc/51/92/67/386519267.db2.gz CFOKNZQYXQERHU-STQMWFEESA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](CCc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415032045 386519830 /nfs/dbraw/zinc/51/98/30/386519830.db2.gz HBWKDWYZBWEQLO-SPWCGHHHSA-N 1 3 230.355 1.815 20 0 BDADHO CCOC[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414916247 386521272 /nfs/dbraw/zinc/52/12/72/386521272.db2.gz PGVGAMQKXASLIW-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414916247 386521273 /nfs/dbraw/zinc/52/12/73/386521273.db2.gz PGVGAMQKXASLIW-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1CCC[C@@H](CNC[C@@H]2C[NH2+]CCCO2)C1 ZINC000415036433 386525154 /nfs/dbraw/zinc/52/51/54/386525154.db2.gz JVRYZQGCTSUVOO-MCIONIFRSA-N 1 3 240.391 1.781 20 0 BDADHO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000415041995 386526022 /nfs/dbraw/zinc/52/60/22/386526022.db2.gz QJCICMZAPHHGPS-JOYOIKCWSA-N 1 3 238.306 1.748 20 0 BDADHO C1CC([C@H]2CC[C@H]2[NH2+]C2CCNCC2)C1 ZINC000335452324 386526267 /nfs/dbraw/zinc/52/62/67/386526267.db2.gz OIMYWUVDHXPNIV-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000415042068 386526980 /nfs/dbraw/zinc/52/69/80/386526980.db2.gz QEADATFQGKNCQU-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCN2CCCC[C@H]2C1 ZINC000094439573 386453933 /nfs/dbraw/zinc/45/39/33/386453933.db2.gz AGZNLTBKAXDPRZ-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@@]1(C)CC[NH2+]C1 ZINC000415082387 386598576 /nfs/dbraw/zinc/59/85/76/386598576.db2.gz LQUIJKVEAKRJTD-STQMWFEESA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@@H](Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046038 386530922 /nfs/dbraw/zinc/53/09/22/386530922.db2.gz WQNLPSKLDWUYSD-BYNSBNAKSA-N 1 3 230.355 1.815 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@]1(C)CCCNC1 ZINC000414917288 386530934 /nfs/dbraw/zinc/53/09/34/386530934.db2.gz RDYIQROEDWYCFQ-CYBMUJFWSA-N 1 3 228.380 1.638 20 0 BDADHO CCCC[C@@H](COC)[NH2+]C[C@H]1CNCCCO1 ZINC000415045156 386531097 /nfs/dbraw/zinc/53/10/97/386531097.db2.gz SPTJHFXFGLEKMW-QWHCGFSZSA-N 1 3 244.379 1.160 20 0 BDADHO C[C@@]1(CN2CCN(CC3CC3)CC2)CC[NH2+]C1 ZINC000062911730 386531456 /nfs/dbraw/zinc/53/14/56/386531456.db2.gz WUVVEIQQPITVNI-CQSZACIVSA-N 1 3 237.391 1.014 20 0 BDADHO CC[C@@H](C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415046716 386532381 /nfs/dbraw/zinc/53/23/81/386532381.db2.gz VDMKCLACQHLWLC-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO c1ccc(OCCCCN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415048548 386534981 /nfs/dbraw/zinc/53/49/81/386534981.db2.gz ZNYXZXHPCXFFKJ-FICVDOATSA-N 1 3 246.354 1.653 20 0 BDADHO C[C@H]1CC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H](C)C1 ZINC000415046954 386535237 /nfs/dbraw/zinc/53/52/37/386535237.db2.gz YCJBRTPCEQSUQS-RPLXWKFWSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000415061948 386541396 /nfs/dbraw/zinc/54/13/96/386541396.db2.gz LUAPEEWCPHQXMW-PDWLFKFUSA-N 1 3 208.349 1.619 20 0 BDADHO CN(C[C@H](O)C[NH3+])CC1CCCCCC1 ZINC000415066447 386547319 /nfs/dbraw/zinc/54/73/19/386547319.db2.gz IQBHJFKERLWVQG-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO NC[C@@H]1c2ccccc2CCN1C[C@@H]1CC[NH2+]C1 ZINC000647995784 386559347 /nfs/dbraw/zinc/55/93/47/386559347.db2.gz GFSFBTOVBKURQZ-IUODEOHRSA-N 1 3 245.370 1.154 20 0 BDADHO C[C@@H]1CCCC[C@@H]1CN(C)C[C@H](O)C[NH3+] ZINC000415072055 386562516 /nfs/dbraw/zinc/56/25/16/386562516.db2.gz VFXHSUYHKDJVSS-IJLUTSLNSA-N 1 3 214.353 1.064 20 0 BDADHO C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCNC1 ZINC000415103710 386624302 /nfs/dbraw/zinc/62/43/02/386624302.db2.gz CWLSWCRAZPMCMP-FVCCEPFGSA-N 1 3 208.349 1.764 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H](C)CC1CCOCC1 ZINC000415139523 386633378 /nfs/dbraw/zinc/63/33/78/386633378.db2.gz XHQUEBPXSFYDAE-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO CNCCC[N@H+](C)C[C@@H](C)CC1CCOCC1 ZINC000415139523 386633382 /nfs/dbraw/zinc/63/33/82/386633382.db2.gz XHQUEBPXSFYDAE-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO CNCCC[N@@H+](C)C[C@@H](C)CC1CCOCC1 ZINC000415139523 386633387 /nfs/dbraw/zinc/63/33/87/386633387.db2.gz XHQUEBPXSFYDAE-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO CCCC[C@H](CN)[NH2+]C1CCN(CC)CC1 ZINC000414814507 386645038 /nfs/dbraw/zinc/64/50/38/386645038.db2.gz NYFWOEKOFVVTKN-CYBMUJFWSA-N 1 3 227.396 1.578 20 0 BDADHO CCOc1ccc(C[NH2+][C@H](C)CN)cc1OC ZINC000414925564 386647817 /nfs/dbraw/zinc/64/78/17/386647817.db2.gz IFPSZTNFWSROJG-SNVBAGLBSA-N 1 3 238.331 1.531 20 0 BDADHO C1C[C@@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCCNCC2)O1 ZINC000415082214 386599817 /nfs/dbraw/zinc/59/98/17/386599817.db2.gz CSLMNUWKIFOOAW-XJFOESAGSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)([NH3+])CNCCn1cnc2ccccc21 ZINC000415085737 386604032 /nfs/dbraw/zinc/60/40/32/386604032.db2.gz QQNKMDGMSWVVIS-UHFFFAOYSA-N 1 3 232.331 1.363 20 0 BDADHO CC1(C)CC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000335489432 386606652 /nfs/dbraw/zinc/60/66/52/386606652.db2.gz WIFZFTLKGOHFGO-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@@H]([NH2+]CCNC(C)(C)C)[C@@H]1CCCO1 ZINC000415087646 386606912 /nfs/dbraw/zinc/60/69/12/386606912.db2.gz WHPXGYIJLKFGIS-NEPJUHHUSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(C(N)=O)cc1 ZINC000520230548 386608850 /nfs/dbraw/zinc/60/88/50/386608850.db2.gz TZFZJCAJQLLQSP-VHSXEESVSA-N 1 3 235.331 1.001 20 0 BDADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCOCC1 ZINC000415093234 386613064 /nfs/dbraw/zinc/61/30/64/386613064.db2.gz UUNIPZKUVZDQST-SGMGOOAPSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414807430 386617438 /nfs/dbraw/zinc/61/74/38/386617438.db2.gz RHFFULAWFPKIKF-AXFHLTTASA-N 1 3 224.348 1.271 20 0 BDADHO NC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC000414807345 386618292 /nfs/dbraw/zinc/61/82/92/386618292.db2.gz QXESKMIDWOPMOM-LBPRGKRZSA-N 1 3 226.270 1.792 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN(C)C ZINC000425928829 386667969 /nfs/dbraw/zinc/66/79/69/386667969.db2.gz WESTWERXZXOYMY-IHRRRGAJSA-N 1 3 242.407 1.979 20 0 BDADHO Cc1c[nH]nc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414833021 386709219 /nfs/dbraw/zinc/70/92/19/386709219.db2.gz FVHAYSOKIDQVBF-NSHDSACASA-N 1 3 222.336 1.197 20 0 BDADHO Cc1c[nH]nc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414833020 386710827 /nfs/dbraw/zinc/71/08/27/386710827.db2.gz FVHAYSOKIDQVBF-LLVKDONJSA-N 1 3 222.336 1.197 20 0 BDADHO Cc1c[nH]nc1CNCCC1CC[NH+](C)CC1 ZINC000352838037 386684515 /nfs/dbraw/zinc/68/45/15/386684515.db2.gz DGXKMIUJCUXOJP-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO CCN(C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000042471341 386686832 /nfs/dbraw/zinc/68/68/32/386686832.db2.gz LEQPRSXEEDVMLO-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H](C)N)CC2 ZINC000414825345 386690219 /nfs/dbraw/zinc/69/02/19/386690219.db2.gz SGMGYWSRDLZBEL-FZMZJTMJSA-N 1 3 248.370 1.879 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NCC[C@H](C)[NH3+])CC2 ZINC000414825345 386690226 /nfs/dbraw/zinc/69/02/26/386690226.db2.gz SGMGYWSRDLZBEL-FZMZJTMJSA-N 1 3 248.370 1.879 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414831711 386712544 /nfs/dbraw/zinc/71/25/44/386712544.db2.gz DMGOJPVZFJPGCJ-RWMBFGLXSA-N 1 3 228.380 1.635 20 0 BDADHO CC[NH2+]CCNC[C@@H]1CCO[C@@H](CC)C1 ZINC000414829229 386701374 /nfs/dbraw/zinc/70/13/74/386701374.db2.gz MABZYXKREJLOLF-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C)CNC)CCO1 ZINC000414838682 386738606 /nfs/dbraw/zinc/73/86/06/386738606.db2.gz LKTKBEOUWTZZEJ-FRRDWIJNSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H]1CC2(CN1Cc1cc[nH]n1)CC[NH2+]CC2 ZINC000335544013 386727497 /nfs/dbraw/zinc/72/74/97/386727497.db2.gz QALFYZVMASQUCD-NSHDSACASA-N 1 3 234.347 1.374 20 0 BDADHO CCCCN(CCOC)C[C@]1(C)CC[NH2+]C1 ZINC000340712789 386759863 /nfs/dbraw/zinc/75/98/63/386759863.db2.gz NLYJYQZQUZPHJT-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO N[C@H](CNC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838917 386742601 /nfs/dbraw/zinc/74/26/01/386742601.db2.gz VXJGBLQAOSRJBV-TZMCWYRMSA-N 1 3 233.359 1.276 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417807674 386787434 /nfs/dbraw/zinc/78/74/34/386787434.db2.gz DKEVYELKDKVORP-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO Cc1ncccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000334845199 386891703 /nfs/dbraw/zinc/89/17/03/386891703.db2.gz JOFPFTFREVLZSF-STQMWFEESA-N 1 3 219.332 1.750 20 0 BDADHO C[C@H]1CN(Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000335747854 386871706 /nfs/dbraw/zinc/87/17/06/386871706.db2.gz VSULNPLIEPXWJD-GWCFXTLKSA-N 1 3 219.332 1.438 20 0 BDADHO COc1cccc2c1CC[C@@H](N[C@@H](C)C[NH3+])C2 ZINC000414940123 386876611 /nfs/dbraw/zinc/87/66/11/386876611.db2.gz HBQHZKDMHZHJPU-CMPLNLGQSA-N 1 3 234.343 1.489 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331870890 386919248 /nfs/dbraw/zinc/91/92/48/386919248.db2.gz BFVIWKSHRCQTFD-SRVKXCTJSA-N 1 3 214.353 1.397 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCOCC1 ZINC000334864351 386919328 /nfs/dbraw/zinc/91/93/28/386919328.db2.gz OXXMLHCLOWSZEH-GFCCVEGCSA-N 1 3 226.364 1.533 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414944174 386902628 /nfs/dbraw/zinc/90/26/28/386902628.db2.gz GFRZHMATOFLJEV-GHMZBOCLSA-N 1 3 242.363 1.306 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414944174 386902631 /nfs/dbraw/zinc/90/26/31/386902631.db2.gz GFRZHMATOFLJEV-GHMZBOCLSA-N 1 3 242.363 1.306 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414944183 386903203 /nfs/dbraw/zinc/90/32/03/386903203.db2.gz GFRZHMATOFLJEV-WDEREUQCSA-N 1 3 242.363 1.306 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414944183 386903209 /nfs/dbraw/zinc/90/32/09/386903209.db2.gz GFRZHMATOFLJEV-WDEREUQCSA-N 1 3 242.363 1.306 20 0 BDADHO Cc1cn[nH]c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000334870977 386930904 /nfs/dbraw/zinc/93/09/04/386930904.db2.gz VXBIMFAHJURHJN-GXTWGEPZSA-N 1 3 248.374 1.682 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000395191318 386981232 /nfs/dbraw/zinc/98/12/32/386981232.db2.gz COVBNHSHWQUBHU-WUHRBBMRSA-N 1 3 226.364 1.674 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000359034318 387046766 /nfs/dbraw/zinc/04/67/66/387046766.db2.gz YSQPBSRTIRMHFU-MGPQQGTHSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H](N[C@H]1CCc2nc[nH]c2C1)[C@H]1CCCC[NH2+]1 ZINC000333227057 387022378 /nfs/dbraw/zinc/02/23/78/387022378.db2.gz BDAJQBUNTZFQHP-GRYCIOLGSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](N[C@H]1CCc2[nH]cnc2C1)[C@H]1CCCC[NH2+]1 ZINC000333227057 387022384 /nfs/dbraw/zinc/02/23/84/387022384.db2.gz BDAJQBUNTZFQHP-GRYCIOLGSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@H]1CCCCN1 ZINC000333227057 387022388 /nfs/dbraw/zinc/02/23/88/387022388.db2.gz BDAJQBUNTZFQHP-GRYCIOLGSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCC[NH2+]1 ZINC000333227058 387023261 /nfs/dbraw/zinc/02/32/61/387023261.db2.gz BDAJQBUNTZFQHP-IJLUTSLNSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](N[C@@H]1CCc2[nH]cnc2C1)[C@H]1CCCC[NH2+]1 ZINC000333227058 387023264 /nfs/dbraw/zinc/02/32/64/387023264.db2.gz BDAJQBUNTZFQHP-IJLUTSLNSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCCN1 ZINC000333227058 387023266 /nfs/dbraw/zinc/02/32/66/387023266.db2.gz BDAJQBUNTZFQHP-IJLUTSLNSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CCCCN1 ZINC000333344070 387028124 /nfs/dbraw/zinc/02/81/24/387028124.db2.gz YTPWISBWASLALW-RTXFEEFZSA-N 1 3 248.374 1.387 20 0 BDADHO CC(C)[C@H](NC[C@@H](C)C[NH3+])c1cccnc1 ZINC000423299408 387130782 /nfs/dbraw/zinc/13/07/82/387130782.db2.gz QCUVLMGNILGPPV-AAEUAGOBSA-N 1 3 221.348 1.963 20 0 BDADHO C[C@H]1C[C@@H](NCCOCC(F)F)CC[N@@H+]1C ZINC000188744170 387088187 /nfs/dbraw/zinc/08/81/87/387088187.db2.gz RNUAPQAQWMJXAQ-UWVGGRQHSA-N 1 3 236.306 1.340 20 0 BDADHO C[C@H]1C[C@@H](NCCOCC(F)F)CC[N@H+]1C ZINC000188744170 387088190 /nfs/dbraw/zinc/08/81/90/387088190.db2.gz RNUAPQAQWMJXAQ-UWVGGRQHSA-N 1 3 236.306 1.340 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NC1CC(F)(F)C1 ZINC000335008201 387102557 /nfs/dbraw/zinc/10/25/57/387102557.db2.gz IIRNXYNUYZDRLZ-PSASIEDQSA-N 1 3 218.291 1.891 20 0 BDADHO CCC1(CC)[C@H](NCC2C[NH2+]C2)C[C@@H]1OC ZINC000423306452 387141480 /nfs/dbraw/zinc/14/14/80/387141480.db2.gz TWQYFSXZQKRYHQ-NEPJUHHUSA-N 1 3 226.364 1.389 20 0 BDADHO CCC1(CC)[C@H]([NH2+]CC2CNC2)C[C@@H]1OC ZINC000423306452 387141482 /nfs/dbraw/zinc/14/14/82/387141482.db2.gz TWQYFSXZQKRYHQ-NEPJUHHUSA-N 1 3 226.364 1.389 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCCCCO)c2ccccc21 ZINC000229108661 387141540 /nfs/dbraw/zinc/14/15/40/387141540.db2.gz FHKVJWKMLLKFKT-ZIAGYGMSSA-N 1 3 234.343 1.883 20 0 BDADHO COc1ccccc1C[C@H](C)NCC1C[NH2+]C1 ZINC000423306218 387141550 /nfs/dbraw/zinc/14/15/50/387141550.db2.gz SPAJSHGHBSUFEI-NSHDSACASA-N 1 3 234.343 1.435 20 0 BDADHO COc1ccccc1C[C@H](C)[NH2+]CC1CNC1 ZINC000423306218 387141552 /nfs/dbraw/zinc/14/15/52/387141552.db2.gz SPAJSHGHBSUFEI-NSHDSACASA-N 1 3 234.343 1.435 20 0 BDADHO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H](C)CN ZINC000423307191 387142717 /nfs/dbraw/zinc/14/27/17/387142717.db2.gz MWGKRMUKJHAUCD-NEPJUHHUSA-N 1 3 224.352 1.092 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NCC1C[NH2+]C1)CC2 ZINC000423308435 387143206 /nfs/dbraw/zinc/14/32/06/387143206.db2.gz XXTRUYPBNBQITR-AWEZNQCLSA-N 1 3 246.354 1.362 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1CNC1)CC2 ZINC000423308435 387143215 /nfs/dbraw/zinc/14/32/15/387143215.db2.gz XXTRUYPBNBQITR-AWEZNQCLSA-N 1 3 246.354 1.362 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423310248 387147260 /nfs/dbraw/zinc/14/72/60/387147260.db2.gz ROAQLYXUYJCQST-AAVRWANBSA-N 1 3 240.391 1.766 20 0 BDADHO Cc1n[nH]cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336327798 387154212 /nfs/dbraw/zinc/15/42/12/387154212.db2.gz IBKHXWSEVKUDON-CQSZACIVSA-N 1 3 248.374 1.682 20 0 BDADHO CCC[NH2+]CCN[C@H]1CCC[C@@H]1CCOC ZINC000423316871 387157542 /nfs/dbraw/zinc/15/75/42/387157542.db2.gz YIRHWXBWBJQNQS-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO CC[C@H](N[C@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423315609 387157631 /nfs/dbraw/zinc/15/76/31/387157631.db2.gz AAHITLSFRWYXAJ-ZJUUUORDSA-N 1 3 228.336 1.045 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423322063 387164521 /nfs/dbraw/zinc/16/45/21/387164521.db2.gz ILNAFWKYGVYRBV-GMTAPVOTSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2(N)CCC2)CN1C1CC1 ZINC000423321345 387165176 /nfs/dbraw/zinc/16/51/76/387165176.db2.gz HISYTJULTXJXFS-WDEREUQCSA-N 1 3 223.364 1.083 20 0 BDADHO C[C@H]1C[C@@H](NCC2([NH3+])CCC2)CN1C1CC1 ZINC000423321345 387165180 /nfs/dbraw/zinc/16/51/80/387165180.db2.gz HISYTJULTXJXFS-WDEREUQCSA-N 1 3 223.364 1.083 20 0 BDADHO CO[C@@H](C)C[N@H+](C)CCCN1CCCCC1 ZINC000353254894 387165985 /nfs/dbraw/zinc/16/59/85/387165985.db2.gz ODIAPFYFGYYUMS-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CO[C@@H](C)C[N@@H+](C)CCCN1CCCCC1 ZINC000353254894 387165990 /nfs/dbraw/zinc/16/59/90/387165990.db2.gz ODIAPFYFGYYUMS-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423322064 387166237 /nfs/dbraw/zinc/16/62/37/387166237.db2.gz ILNAFWKYGVYRBV-MXWKQRLJSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@@H](O)[C@@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000571790788 387172146 /nfs/dbraw/zinc/17/21/46/387172146.db2.gz AFLYRCADHBTTCL-OKZRHMCRSA-N 1 3 226.364 1.362 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423332812 387178580 /nfs/dbraw/zinc/17/85/80/387178580.db2.gz PKJVRKBPOLNJBU-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423332812 387178586 /nfs/dbraw/zinc/17/85/86/387178586.db2.gz PKJVRKBPOLNJBU-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2C[NH2+]C2)C1(CC)CC ZINC000423300099 387133440 /nfs/dbraw/zinc/13/34/40/387133440.db2.gz DHELWANEVVCYBV-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CC2CNC2)C1(CC)CC ZINC000423300099 387133442 /nfs/dbraw/zinc/13/34/42/387133442.db2.gz DHELWANEVVCYBV-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287715 387137468 /nfs/dbraw/zinc/13/74/68/387137468.db2.gz IKADZZUFCZJQOE-BNOWGMLFSA-N 1 3 216.328 1.899 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000423305035 387140368 /nfs/dbraw/zinc/14/03/68/387140368.db2.gz ZZNQAERXMFOKPV-YNEHKIRRSA-N 1 3 227.396 1.576 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000336381654 387212403 /nfs/dbraw/zinc/21/24/03/387212403.db2.gz XNJQCYYDLLTLML-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000336381654 387212408 /nfs/dbraw/zinc/21/24/08/387212408.db2.gz XNJQCYYDLLTLML-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423364704 387216871 /nfs/dbraw/zinc/21/68/71/387216871.db2.gz OXYMJFOMSTUPDF-JHJVBQTASA-N 1 3 237.391 1.343 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000423366641 387218854 /nfs/dbraw/zinc/21/88/54/387218854.db2.gz CSFNHDVMNQQCBY-UMSGYPCISA-N 1 3 225.380 1.057 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)CN(C)CCC ZINC000352461259 387226632 /nfs/dbraw/zinc/22/66/32/387226632.db2.gz KTYPUJNLKMDDAN-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)CN(C)CCC ZINC000352461259 387226636 /nfs/dbraw/zinc/22/66/36/387226636.db2.gz KTYPUJNLKMDDAN-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423405832 387243030 /nfs/dbraw/zinc/24/30/30/387243030.db2.gz UBKXGZYHJRTWRO-DMDPSCGWSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423405832 387243036 /nfs/dbraw/zinc/24/30/36/387243036.db2.gz UBKXGZYHJRTWRO-DMDPSCGWSA-N 1 3 222.332 1.798 20 0 BDADHO COC[C@]1(CN[C@@H](C)[C@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414001 387246778 /nfs/dbraw/zinc/24/67/78/387246778.db2.gz LVEKMQZXEPERPQ-OUCADQQQSA-N 1 3 240.391 1.779 20 0 BDADHO C1CC2(C1)CCC[C@@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422886 387250546 /nfs/dbraw/zinc/25/05/46/387250546.db2.gz CYJIHERABMLUSX-WHOHXGKFSA-N 1 3 206.333 1.517 20 0 BDADHO C[C@@H](NC[C@@H]1NCCc2ccccc21)C1C[NH2+]C1 ZINC000423424941 387251871 /nfs/dbraw/zinc/25/18/71/387251871.db2.gz LYLTYJCRDSIHRM-ABAIWWIYSA-N 1 3 245.370 1.071 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000423464606 387312574 /nfs/dbraw/zinc/31/25/74/387312574.db2.gz MGLSPPFRYBHZIF-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000423379252 387260297 /nfs/dbraw/zinc/26/02/97/387260297.db2.gz MUMFYMRAJUCTGJ-WCQGTBRESA-N 1 3 212.337 1.142 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C1CC1 ZINC000423379252 387260299 /nfs/dbraw/zinc/26/02/99/387260299.db2.gz MUMFYMRAJUCTGJ-WCQGTBRESA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1CCC[C@H](C)[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423432693 387284124 /nfs/dbraw/zinc/28/41/24/387284124.db2.gz MRDBSQJYTBYEGS-LDTYRUFESA-N 1 3 208.349 1.619 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360437259 387284815 /nfs/dbraw/zinc/28/48/15/387284815.db2.gz LWOOIJNTKMZHGJ-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360437259 387284818 /nfs/dbraw/zinc/28/48/18/387284818.db2.gz LWOOIJNTKMZHGJ-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1ccncc1F ZINC000423443379 387292828 /nfs/dbraw/zinc/29/28/28/387292828.db2.gz AIYNCXVPCQCNEV-UWVGGRQHSA-N 1 3 225.311 1.999 20 0 BDADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1ccncc1F ZINC000423443380 387292960 /nfs/dbraw/zinc/29/29/60/387292960.db2.gz AIYNCXVPCQCNEV-VHSXEESVSA-N 1 3 225.311 1.999 20 0 BDADHO COC[C@H](N[C@H](C)[C@@H](C)[NH3+])C1CCCC1 ZINC000423457862 387305498 /nfs/dbraw/zinc/30/54/98/387305498.db2.gz GFXCFJLBFYJXLZ-FOGDFJRCSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@@H+](C)C[C@H]2C)on1 ZINC000353995189 387307240 /nfs/dbraw/zinc/30/72/40/387307240.db2.gz HHHSDSFHKLFTLM-MFKMUULPSA-N 1 3 237.347 1.455 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@H+](C)C[C@H]2C)on1 ZINC000353995189 387307243 /nfs/dbraw/zinc/30/72/43/387307243.db2.gz HHHSDSFHKLFTLM-MFKMUULPSA-N 1 3 237.347 1.455 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[NH2+]C(C)C ZINC000514930519 387308465 /nfs/dbraw/zinc/30/84/65/387308465.db2.gz MYILGEFBWFGTNO-QWRGUYRKSA-N 1 3 202.342 1.388 20 0 BDADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474857 387321439 /nfs/dbraw/zinc/32/14/39/387321439.db2.gz HTRDWWIACRSSGL-AXFHLTTASA-N 1 3 247.333 1.104 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC1(C)C ZINC000423492296 387336805 /nfs/dbraw/zinc/33/68/05/387336805.db2.gz MLQUQTGTXNOMOC-TUAOUCFPSA-N 1 3 226.364 1.389 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623337307 387337281 /nfs/dbraw/zinc/33/72/81/387337281.db2.gz CQKOZODSMLTBAJ-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000336514524 387339403 /nfs/dbraw/zinc/33/94/03/387339403.db2.gz XNJQCYYDLLTLML-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000336514524 387339406 /nfs/dbraw/zinc/33/94/06/387339406.db2.gz XNJQCYYDLLTLML-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H](C(=O)Nc1ccc2c(c1)CNC2)C1C[NH2+]C1 ZINC000572362660 387347868 /nfs/dbraw/zinc/34/78/68/387347868.db2.gz YEEKMEHFICOUTB-SECBINFHSA-N 1 3 245.326 1.084 20 0 BDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](N)CCC ZINC000423779587 387425496 /nfs/dbraw/zinc/42/54/96/387425496.db2.gz VMOGWENROUFHHN-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](N)CCC ZINC000423779587 387425498 /nfs/dbraw/zinc/42/54/98/387425498.db2.gz VMOGWENROUFHHN-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423675828 387395179 /nfs/dbraw/zinc/39/51/79/387395179.db2.gz ICXBICJTJYKKHD-NEPJUHHUSA-N 1 3 241.379 1.138 20 0 BDADHO CCC[C@H](C(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000423700726 387400286 /nfs/dbraw/zinc/40/02/86/387400286.db2.gz UQIWAUDJESFQFZ-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCc2c[nH]nc2C1 ZINC000515634614 387404641 /nfs/dbraw/zinc/40/46/41/387404641.db2.gz UNWDAGQBPRRPSD-UPJWGTAASA-N 1 3 248.374 1.517 20 0 BDADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000396823012 387495023 /nfs/dbraw/zinc/49/50/23/387495023.db2.gz AHBCUGULRVGCKX-NWDGAFQWSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000396823012 387495028 /nfs/dbraw/zinc/49/50/28/387495028.db2.gz AHBCUGULRVGCKX-NWDGAFQWSA-N 1 3 238.375 1.628 20 0 BDADHO Cc1cc(C)c(CN[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000396973373 387525338 /nfs/dbraw/zinc/52/53/38/387525338.db2.gz IFPUXHSPNCWFIP-TZMCWYRMSA-N 1 3 233.359 1.915 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCCCO)C1 ZINC000304327533 387467036 /nfs/dbraw/zinc/46/70/36/387467036.db2.gz TXLKYEQBBORECQ-LBPRGKRZSA-N 1 3 214.353 1.033 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCO)C1 ZINC000304327533 387467041 /nfs/dbraw/zinc/46/70/41/387467041.db2.gz TXLKYEQBBORECQ-LBPRGKRZSA-N 1 3 214.353 1.033 20 0 BDADHO C[C@H]1CC[C@H](C)N1CC(=O)NC(C)(C)CC[NH3+] ZINC000424048885 387470714 /nfs/dbraw/zinc/47/07/14/387470714.db2.gz SSTGJYACYLJPBJ-QWRGUYRKSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)C1C[NH2+]C1 ZINC000643474456 387489899 /nfs/dbraw/zinc/48/98/99/387489899.db2.gz PLFDAOFLLPBVCR-XUJVJEKNSA-N 1 3 248.370 1.349 20 0 BDADHO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)C1CNC1 ZINC000643474456 387489903 /nfs/dbraw/zinc/48/99/03/387489903.db2.gz PLFDAOFLLPBVCR-XUJVJEKNSA-N 1 3 248.370 1.349 20 0 BDADHO C[C@H]1C[C@H]1C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422561073 387602644 /nfs/dbraw/zinc/60/26/44/387602644.db2.gz IVZHOGMHWBPNQJ-MOLYVOAJSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@H]1C[C@H]1C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422561073 387602645 /nfs/dbraw/zinc/60/26/45/387602645.db2.gz IVZHOGMHWBPNQJ-MOLYVOAJSA-N 1 3 210.365 1.948 20 0 BDADHO Cc1cn[nH]c1CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422561430 387602671 /nfs/dbraw/zinc/60/26/71/387602671.db2.gz LETNTBNWMFHIAI-DLOVCJGASA-N 1 3 236.363 1.523 20 0 BDADHO CCOC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422638738 387610540 /nfs/dbraw/zinc/61/05/40/387610540.db2.gz RHAQRPIDVSTSQP-WOPDTQHZSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)C1CCCCC1 ZINC000422705768 387621372 /nfs/dbraw/zinc/62/13/72/387621372.db2.gz SDQXETTWEBVJGN-GVXVVHGQSA-N 1 3 228.380 1.643 20 0 BDADHO CCCCN(C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422708810 387622955 /nfs/dbraw/zinc/62/29/55/387622955.db2.gz JKDJKQCIRVZOOD-KGLIPLIRSA-N 1 3 241.423 1.839 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422708816 387624057 /nfs/dbraw/zinc/62/40/57/387624057.db2.gz JKQLLKFWCGRKJR-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422708816 387624059 /nfs/dbraw/zinc/62/40/59/387624059.db2.gz JKQLLKFWCGRKJR-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO CCN(CC[C@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305682218 387626772 /nfs/dbraw/zinc/62/67/72/387626772.db2.gz OFJDANUJOBLEDH-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC[C@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305682218 387626778 /nfs/dbraw/zinc/62/67/78/387626778.db2.gz OFJDANUJOBLEDH-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000036871220 387557468 /nfs/dbraw/zinc/55/74/68/387557468.db2.gz WIPHJFHVYZLBHR-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000036871220 387557471 /nfs/dbraw/zinc/55/74/71/387557471.db2.gz WIPHJFHVYZLBHR-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000168553645 387571799 /nfs/dbraw/zinc/57/17/99/387571799.db2.gz RKIAOQOSBHUMED-TUAOUCFPSA-N 1 3 212.337 1.225 20 0 BDADHO CC(C)C[C@@H](CN(C)C)N[C@H](C)C1C[NH2+]C1 ZINC000422717118 387629990 /nfs/dbraw/zinc/62/99/90/387629990.db2.gz OGIVESAQWRURFA-YPMHNXCESA-N 1 3 227.396 1.160 20 0 BDADHO C[C@@H](NC[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422721840 387634197 /nfs/dbraw/zinc/63/41/97/387634197.db2.gz WDKOPOCBQHBDJH-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](NC[C@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422728322 387637829 /nfs/dbraw/zinc/63/78/29/387637829.db2.gz JBUORPYCKOUSRI-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCSCC1 ZINC000422730870 387638558 /nfs/dbraw/zinc/63/85/58/387638558.db2.gz MPGCTIHLRBDEEA-NXEZZACHSA-N 1 3 216.394 1.845 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1CCSCC1 ZINC000422730872 387639253 /nfs/dbraw/zinc/63/92/53/387639253.db2.gz MPGCTIHLRBDEEA-VHSXEESVSA-N 1 3 216.394 1.845 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccccn1 ZINC000422731852 387640569 /nfs/dbraw/zinc/64/05/69/387640569.db2.gz MSAIWRNGRAWMTM-ZIAGYGMSSA-N 1 3 233.359 1.874 20 0 BDADHO COc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422736406 387642725 /nfs/dbraw/zinc/64/27/25/387642725.db2.gz WCKAGILGUGIYIM-NWDGAFQWSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccc(CC[NH2+][C@H](C)C[C@H](C)N)cc1 ZINC000422736406 387642726 /nfs/dbraw/zinc/64/27/26/387642726.db2.gz WCKAGILGUGIYIM-NWDGAFQWSA-N 1 3 236.359 1.953 20 0 BDADHO CC[C@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746703 387649879 /nfs/dbraw/zinc/64/98/79/387649879.db2.gz WYOYHQNTXVMIEF-XBFCOCLRSA-N 1 3 237.391 1.343 20 0 BDADHO CC[C@@H](NC[C@@H](C)N(C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746220 387651736 /nfs/dbraw/zinc/65/17/36/387651736.db2.gz WEWVQQOOCRDDPK-BNOWGMLFSA-N 1 3 239.407 1.589 20 0 BDADHO CCCC[C@H](COC)N[C@H](C)C1C[NH2+]C1 ZINC000422749841 387655637 /nfs/dbraw/zinc/65/56/37/387655637.db2.gz BCTOMCQACMIFHK-ZYHUDNBSSA-N 1 3 214.353 1.389 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@H](C)C1CNC1 ZINC000422749841 387655644 /nfs/dbraw/zinc/65/56/44/387655644.db2.gz BCTOMCQACMIFHK-ZYHUDNBSSA-N 1 3 214.353 1.389 20 0 BDADHO CSCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422749924 387656564 /nfs/dbraw/zinc/65/65/64/387656564.db2.gz BMGHLKGCOATEHF-ZJUUUORDSA-N 1 3 202.367 1.327 20 0 BDADHO C[C@@H](NCCN(C)Cc1ccccc1)C1C[NH2+]C1 ZINC000422753316 387658415 /nfs/dbraw/zinc/65/84/15/387658415.db2.gz GDGZVFFVQHXUDY-CYBMUJFWSA-N 1 3 247.386 1.316 20 0 BDADHO CC[C@H](NC[C@H]1CCCN1CC)[C@@H]1CCC[NH2+]1 ZINC000422755601 387659191 /nfs/dbraw/zinc/65/91/91/387659191.db2.gz KRGHPSQDGCUDHO-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422756876 387660204 /nfs/dbraw/zinc/66/02/04/387660204.db2.gz MATOIFNESNIGJV-IJLUTSLNSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccccc1F ZINC000422757844 387661622 /nfs/dbraw/zinc/66/16/22/387661622.db2.gz NAYJHMGBSYNUMY-QWRGUYRKSA-N 1 3 240.322 1.920 20 0 BDADHO C[C@@H](NC[C@@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759717 387663375 /nfs/dbraw/zinc/66/33/75/387663375.db2.gz LFHFYRDYKNECRZ-OCCSQVGLSA-N 1 3 248.370 1.035 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)C1CNC1 ZINC000422759717 387663379 /nfs/dbraw/zinc/66/33/79/387663379.db2.gz LFHFYRDYKNECRZ-OCCSQVGLSA-N 1 3 248.370 1.035 20 0 BDADHO CN(CCCN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422763482 387664655 /nfs/dbraw/zinc/66/46/55/387664655.db2.gz OSLAWVLVMDYTTL-LSDHHAIUSA-N 1 3 247.386 1.982 20 0 BDADHO COc1ccccc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422763557 387664757 /nfs/dbraw/zinc/66/47/57/387664757.db2.gz OVNWRXPNZSDWQC-NWDGAFQWSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccccc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000422763557 387664760 /nfs/dbraw/zinc/66/47/60/387664760.db2.gz OVNWRXPNZSDWQC-NWDGAFQWSA-N 1 3 236.359 1.953 20 0 BDADHO C[C@@H](NCCc1cccs1)C1C[NH2+]C1 ZINC000422763148 387664785 /nfs/dbraw/zinc/66/47/85/387664785.db2.gz TUGHGQRTSXJBAB-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO C[C@@H]([NH2+]CCc1cccs1)C1CNC1 ZINC000422763148 387664786 /nfs/dbraw/zinc/66/47/86/387664786.db2.gz TUGHGQRTSXJBAB-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO C[C@H](CN1CCC[C@@H](C)C1)N[C@@H](C)C1C[NH2+]C1 ZINC000422769551 387667576 /nfs/dbraw/zinc/66/75/76/387667576.db2.gz VEJLPXUFSGYDJD-UPJWGTAASA-N 1 3 239.407 1.304 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)CC(C)(C)C ZINC000422766623 387668879 /nfs/dbraw/zinc/66/88/79/387668879.db2.gz SAKJUFDZGRJVDL-AGIUHOORSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000422766623 387668880 /nfs/dbraw/zinc/66/88/80/387668880.db2.gz SAKJUFDZGRJVDL-AGIUHOORSA-N 1 3 242.407 1.761 20 0 BDADHO CCC[C@@H](C(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000422767768 387668988 /nfs/dbraw/zinc/66/89/88/387668988.db2.gz RMXVOQQTNHDZCO-MCIGGMRASA-N 1 3 241.379 1.103 20 0 BDADHO COC[C@@H](NCCC[NH+]1CCCCC1)C1CC1 ZINC000126037583 387672972 /nfs/dbraw/zinc/67/29/72/387672972.db2.gz MJJAKJPRNPPJEU-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCOCC1CC1 ZINC000422777575 387674327 /nfs/dbraw/zinc/67/43/27/387674327.db2.gz CKVGEMZRXVQJBZ-AAEUAGOBSA-N 1 3 226.364 1.391 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000422779441 387678433 /nfs/dbraw/zinc/67/84/33/387678433.db2.gz ISXZPFKVGDOLKA-STQMWFEESA-N 1 3 238.375 1.676 20 0 BDADHO CCO[C@H]1C[C@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000422779441 387678437 /nfs/dbraw/zinc/67/84/37/387678437.db2.gz ISXZPFKVGDOLKA-STQMWFEESA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743780 387689034 /nfs/dbraw/zinc/68/90/34/387689034.db2.gz RVJYPWFCLFLZBD-DYEKYZERSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](Cc1ccccc1F)N[C@H](C)C1C[NH2+]C1 ZINC000422744469 387690778 /nfs/dbraw/zinc/69/07/78/387690778.db2.gz WDCKTYUMNSXSRG-GHMZBOCLSA-N 1 3 236.334 1.954 20 0 BDADHO C[C@H](Cc1ccccc1F)[NH2+][C@H](C)C1CNC1 ZINC000422744469 387690781 /nfs/dbraw/zinc/69/07/81/387690781.db2.gz WDCKTYUMNSXSRG-GHMZBOCLSA-N 1 3 236.334 1.954 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccccc1 ZINC000422744016 387690963 /nfs/dbraw/zinc/69/09/63/387690963.db2.gz JONWPIXMNGEBLW-RYUDHWBXSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000422744016 387690965 /nfs/dbraw/zinc/69/09/65/387690965.db2.gz JONWPIXMNGEBLW-RYUDHWBXSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCCC[C@H]1C ZINC000422862913 387743223 /nfs/dbraw/zinc/74/32/23/387743223.db2.gz OECOOLQGXNDCLW-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000422866943 387747811 /nfs/dbraw/zinc/74/78/11/387747811.db2.gz RFNPLUYCEHWJNC-OLZOCXBDSA-N 1 3 247.386 1.709 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)N(C)c1ccccc1 ZINC000422866943 387747816 /nfs/dbraw/zinc/74/78/16/387747816.db2.gz RFNPLUYCEHWJNC-OLZOCXBDSA-N 1 3 247.386 1.709 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000422873051 387752325 /nfs/dbraw/zinc/75/23/25/387752325.db2.gz JPWNHOBGPIPSTR-GARJFASQSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000422873315 387753446 /nfs/dbraw/zinc/75/34/46/387753446.db2.gz KZKOYQCRYSZTAB-ZPFDUUQYSA-N 1 3 225.380 1.185 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000422793342 387696916 /nfs/dbraw/zinc/69/69/16/387696916.db2.gz XZTCFHUNCSWIKR-MQYQWHSLSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805107 387702192 /nfs/dbraw/zinc/70/21/92/387702192.db2.gz GGMNNLXWUVJLDL-IACUBPJLSA-N 1 3 248.374 1.564 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)C1CNC1 ZINC000422805107 387702198 /nfs/dbraw/zinc/70/21/98/387702198.db2.gz GGMNNLXWUVJLDL-IACUBPJLSA-N 1 3 248.374 1.564 20 0 BDADHO CN(CCN[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000422805440 387705021 /nfs/dbraw/zinc/70/50/21/387705021.db2.gz GUIGMDFPLPIPNW-UKRRQHHQSA-N 1 3 247.386 1.840 20 0 BDADHO CN(CC[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000422805440 387705027 /nfs/dbraw/zinc/70/50/27/387705027.db2.gz GUIGMDFPLPIPNW-UKRRQHHQSA-N 1 3 247.386 1.840 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCCCC1 ZINC000422808649 387708830 /nfs/dbraw/zinc/70/88/30/387708830.db2.gz LHKGKYXMFHNENW-OLZOCXBDSA-N 1 3 225.380 1.060 20 0 BDADHO COCc1ccccc1C[NH2+][C@H]1CNCC[C@H]1C ZINC000422808948 387709330 /nfs/dbraw/zinc/70/93/30/387709330.db2.gz QZDYWKGDRMNRCY-DOMZBBRYSA-N 1 3 248.370 1.921 20 0 BDADHO Cc1nc(CCN[C@@H](C)C[C@H](C)[NH3+])cs1 ZINC000422821906 387718483 /nfs/dbraw/zinc/71/84/83/387718483.db2.gz ZEQWAXABDCBPON-IUCAKERBSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCOC1CCCC1 ZINC000422823918 387720502 /nfs/dbraw/zinc/72/05/02/387720502.db2.gz FKXMLVKAISEMEJ-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@H]2[NH3+])CCCC[C@H]1O ZINC000422823364 387720801 /nfs/dbraw/zinc/72/08/01/387720801.db2.gz LJCPFGUSRQNEKY-FDYHWXHSSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccncc1 ZINC000422832821 387726850 /nfs/dbraw/zinc/72/68/50/387726850.db2.gz GDSSAGYDJFEBHU-TUAOUCFPSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccncc1 ZINC000422832821 387726854 /nfs/dbraw/zinc/72/68/54/387726854.db2.gz GDSSAGYDJFEBHU-TUAOUCFPSA-N 1 3 221.348 1.728 20 0 BDADHO CC[C@@H](NCCn1ccnc1C)[C@@H]1CCC[NH2+]1 ZINC000422842690 387731673 /nfs/dbraw/zinc/73/16/73/387731673.db2.gz YYQRNOVQMKVYGP-OLZOCXBDSA-N 1 3 236.363 1.312 20 0 BDADHO CCN(C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128028880 387733885 /nfs/dbraw/zinc/73/38/85/387733885.db2.gz VYFCIXVTBBAKCF-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO CCN(C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128028880 387733889 /nfs/dbraw/zinc/73/38/89/387733889.db2.gz VYFCIXVTBBAKCF-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128054689 387734852 /nfs/dbraw/zinc/73/48/52/387734852.db2.gz SSCZUFZLJGZCTH-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128054689 387734857 /nfs/dbraw/zinc/73/48/57/387734857.db2.gz SSCZUFZLJGZCTH-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCS1 ZINC000422878480 387755933 /nfs/dbraw/zinc/75/59/33/387755933.db2.gz TWWNFQHZKKZRAG-IVZWLZJFSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCS1 ZINC000422878480 387755936 /nfs/dbraw/zinc/75/59/36/387755936.db2.gz TWWNFQHZKKZRAG-IVZWLZJFSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CC12CC2 ZINC000527863781 387738008 /nfs/dbraw/zinc/73/80/08/387738008.db2.gz JCQHCWHZGUTTPC-NWDGAFQWSA-N 1 3 238.375 1.221 20 0 BDADHO CCCCO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527580 387764760 /nfs/dbraw/zinc/76/47/60/387764760.db2.gz OSVKSTPKAZYHHA-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@@H](NC[C@@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000422898548 387765588 /nfs/dbraw/zinc/76/55/88/387765588.db2.gz FIJQALZGYBTYNZ-XQQFMLRXSA-N 1 3 225.380 1.201 20 0 BDADHO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422897807 387765907 /nfs/dbraw/zinc/76/59/07/387765907.db2.gz CXBHBOLGZQBFBY-JHJVBQTASA-N 1 3 225.380 1.330 20 0 BDADHO COc1ccc2c(c1)C[C@H](NC[C@H](C)[NH3+])CC2 ZINC000643528145 387774511 /nfs/dbraw/zinc/77/45/11/387774511.db2.gz DNVFMKKALSTLJY-GXFFZTMASA-N 1 3 234.343 1.489 20 0 BDADHO COc1ccc2c(c1)C[C@H](NC[C@@H](C)[NH3+])CC2 ZINC000643528147 387775683 /nfs/dbraw/zinc/77/56/83/387775683.db2.gz DNVFMKKALSTLJY-ZWNOBZJWSA-N 1 3 234.343 1.489 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1CCCc2ccccc2C1 ZINC000643529677 387777043 /nfs/dbraw/zinc/77/70/43/387777043.db2.gz LPWGKVHBZXPBJV-SMDDNHRTSA-N 1 3 218.344 1.871 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H]1CCCc2c[nH]nc21 ZINC000422932982 387780884 /nfs/dbraw/zinc/78/08/84/387780884.db2.gz CWRMTUAVRJEYGZ-PWSUYJOCSA-N 1 3 236.363 1.894 20 0 BDADHO C[C@@H](C[C@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902764 387787671 /nfs/dbraw/zinc/78/76/71/387787671.db2.gz NMBNHLHZJBMVRC-BEUHCMRWSA-N 1 3 238.375 1.817 20 0 BDADHO CCCC(O)(CCC)CN[C@@H](C)C1C[NH2+]C1 ZINC000422979165 387789489 /nfs/dbraw/zinc/78/94/89/387789489.db2.gz LNTUONDHSRUYIX-NSHDSACASA-N 1 3 228.380 1.515 20 0 BDADHO CCCC(O)(CCC)C[NH2+][C@@H](C)C1CNC1 ZINC000422979165 387789494 /nfs/dbraw/zinc/78/94/94/387789494.db2.gz LNTUONDHSRUYIX-NSHDSACASA-N 1 3 228.380 1.515 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422992078 387799417 /nfs/dbraw/zinc/79/94/17/387799417.db2.gz QQONRAFHMUEMQC-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1(CCO)CCC1 ZINC000422993100 387801027 /nfs/dbraw/zinc/80/10/27/387801027.db2.gz SIMBTVVBGMRRGL-VXGBXAGGSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994787 387803129 /nfs/dbraw/zinc/80/31/29/387803129.db2.gz WFKTWHRNJMUDAA-CHWSQXEVSA-N 1 3 240.391 1.517 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)CN[C@H](C)C1C[NH2+]C1 ZINC000423000967 387805334 /nfs/dbraw/zinc/80/53/34/387805334.db2.gz HFCNATALJZWCST-ZYHUDNBSSA-N 1 3 228.380 1.227 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)C1CNC1 ZINC000423000967 387805337 /nfs/dbraw/zinc/80/53/37/387805337.db2.gz HFCNATALJZWCST-ZYHUDNBSSA-N 1 3 228.380 1.227 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001995 387807419 /nfs/dbraw/zinc/80/74/19/387807419.db2.gz FNGYGIOXNILQJO-SYQHCUMBSA-N 1 3 240.391 1.515 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C1(CC)CC ZINC000643526637 387757299 /nfs/dbraw/zinc/75/72/99/387757299.db2.gz CQVIHYBTMKDOHI-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)N(C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422880424 387757747 /nfs/dbraw/zinc/75/77/47/387757747.db2.gz OBCGODZNFONGFB-GHMZBOCLSA-N 1 3 201.358 1.042 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCS1)C1CNC1 ZINC000422882278 387757797 /nfs/dbraw/zinc/75/77/97/387757797.db2.gz ZVUDBWDYSBZFFD-GXSJLCMTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H](NC[C@@]1(C)CCCS1)C1C[NH2+]C1 ZINC000422882278 387757801 /nfs/dbraw/zinc/75/78/01/387757801.db2.gz ZVUDBWDYSBZFFD-GXSJLCMTSA-N 1 3 214.378 1.470 20 0 BDADHO COCCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCC1 ZINC000422887955 387759424 /nfs/dbraw/zinc/75/94/24/387759424.db2.gz LUOVBETXPCDZCK-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccccc1O ZINC000422972315 387821125 /nfs/dbraw/zinc/82/11/25/387821125.db2.gz KZQAVHPNUALONM-CHWSQXEVSA-N 1 3 234.343 1.652 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1O ZINC000422972315 387821128 /nfs/dbraw/zinc/82/11/28/387821128.db2.gz KZQAVHPNUALONM-CHWSQXEVSA-N 1 3 234.343 1.652 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795372 387822210 /nfs/dbraw/zinc/82/22/10/387822210.db2.gz WLPRXZIGDZLZMW-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795372 387822214 /nfs/dbraw/zinc/82/22/14/387822214.db2.gz WLPRXZIGDZLZMW-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCCC(O)(CCC)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422975005 387824227 /nfs/dbraw/zinc/82/42/27/387824227.db2.gz GCCUQIVGAIJADV-RYUDHWBXSA-N 1 3 228.380 1.787 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCNCC1 ZINC000422974277 387824391 /nfs/dbraw/zinc/82/43/91/387824391.db2.gz QTNSTEPANUPMCL-NSHDSACASA-N 1 3 234.343 1.665 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)NC1CC[NH2+]CC1 ZINC000422974277 387824395 /nfs/dbraw/zinc/82/43/95/387824395.db2.gz QTNSTEPANUPMCL-NSHDSACASA-N 1 3 234.343 1.665 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000567110349 387824841 /nfs/dbraw/zinc/82/48/41/387824841.db2.gz AEODSVSDQFAYOH-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000567110349 387824844 /nfs/dbraw/zinc/82/48/44/387824844.db2.gz AEODSVSDQFAYOH-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H](Cc1ccoc1)NC1CC[NH2+]CC1 ZINC000423004779 387825327 /nfs/dbraw/zinc/82/53/27/387825327.db2.gz KSCGBHAVNFCVLH-SNVBAGLBSA-N 1 3 208.305 1.552 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+]C1CCNCC1 ZINC000423004779 387825335 /nfs/dbraw/zinc/82/53/35/387825335.db2.gz KSCGBHAVNFCVLH-SNVBAGLBSA-N 1 3 208.305 1.552 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423004145 387825451 /nfs/dbraw/zinc/82/54/51/387825451.db2.gz JIFHZHQLVICQEJ-MGPQQGTHSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[C@@H](O)C1 ZINC000423003563 387826902 /nfs/dbraw/zinc/82/69/02/387826902.db2.gz HXWKKHKFXUJYRP-LPWJVIDDSA-N 1 3 226.364 1.125 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423006828 387828168 /nfs/dbraw/zinc/82/81/68/387828168.db2.gz WNNLXXSKKAEIAU-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCC(C)(C)CO ZINC000423006082 387828614 /nfs/dbraw/zinc/82/86/14/387828614.db2.gz NXUVPZJUWLEPAO-GHMZBOCLSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCNc1ccccn1 ZINC000423010827 387833293 /nfs/dbraw/zinc/83/32/93/387833293.db2.gz YNXBKQPGMXJUKM-GHMZBOCLSA-N 1 3 222.336 1.209 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000423011185 387833953 /nfs/dbraw/zinc/83/39/53/387833953.db2.gz APROJLBOGHVRNY-AGIUHOORSA-N 1 3 240.391 1.501 20 0 BDADHO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCCCO1 ZINC000643479107 387835582 /nfs/dbraw/zinc/83/55/82/387835582.db2.gz RAILPWMEATYOJL-CRWXNKLISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1CCCCO1 ZINC000643479107 387835585 /nfs/dbraw/zinc/83/55/85/387835585.db2.gz RAILPWMEATYOJL-CRWXNKLISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](NCCSCC(F)(F)F)C1C[NH2+]C1 ZINC000423013190 387837024 /nfs/dbraw/zinc/83/70/24/387837024.db2.gz FJQNPMMZCUFMTG-ZETCQYMHSA-N 1 3 242.310 1.479 20 0 BDADHO C[C@H]([NH2+]CCSCC(F)(F)F)C1CNC1 ZINC000423013190 387837029 /nfs/dbraw/zinc/83/70/29/387837029.db2.gz FJQNPMMZCUFMTG-ZETCQYMHSA-N 1 3 242.310 1.479 20 0 BDADHO C[C@@H]([NH2+]CC1(C)Cc2ccccc2C1)C1CNC1 ZINC000423015833 387838915 /nfs/dbraw/zinc/83/89/15/387838915.db2.gz LJCYHHXWHZJZMH-GFCCVEGCSA-N 1 3 244.382 1.989 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOC(F)(F)F ZINC000423072890 387874918 /nfs/dbraw/zinc/87/49/18/387874918.db2.gz QKBPVQBXVNTADD-NKWVEPMBSA-N 1 3 214.231 1.238 20 0 BDADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CN)CCO1 ZINC000423030450 387846892 /nfs/dbraw/zinc/84/68/92/387846892.db2.gz JUVSESYGVVNYLC-AAVRWANBSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2CN)CCO1 ZINC000423030451 387847251 /nfs/dbraw/zinc/84/72/51/387847251.db2.gz JUVSESYGVVNYLC-MQYQWHSLSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423036463 387851095 /nfs/dbraw/zinc/85/10/95/387851095.db2.gz UBNAFXKIAGYCOT-FIQHERPVSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccncc1 ZINC000643460368 387874118 /nfs/dbraw/zinc/87/41/18/387874118.db2.gz WIPJVWSZUGCAER-MRVWCRGKSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCCCO1 ZINC000423043584 387854616 /nfs/dbraw/zinc/85/46/16/387854616.db2.gz PDZSDXADORFORR-TUAOUCFPSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000423048773 387857737 /nfs/dbraw/zinc/85/77/37/387857737.db2.gz ITXIQYPDZKCIJF-BDAKNGLRSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOCC(F)F ZINC000423065804 387870612 /nfs/dbraw/zinc/87/06/12/387870612.db2.gz CMSWBSJCEXACQP-NXEZZACHSA-N 1 3 236.306 1.246 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000423069038 387871568 /nfs/dbraw/zinc/87/15/68/387871568.db2.gz LIABQFNUOBZGQH-VPOLOUISSA-N 1 3 200.326 1.269 20 0 BDADHO CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964887 387815047 /nfs/dbraw/zinc/81/50/47/387815047.db2.gz MYWUHQHYJYPNBQ-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(CO)cc1 ZINC000643478209 387815876 /nfs/dbraw/zinc/81/58/76/387815876.db2.gz FENOVRZHKWHHGT-RYUDHWBXSA-N 1 3 236.359 1.437 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000643478209 387815882 /nfs/dbraw/zinc/81/58/82/387815882.db2.gz FENOVRZHKWHHGT-RYUDHWBXSA-N 1 3 236.359 1.437 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105686 387892202 /nfs/dbraw/zinc/89/22/02/387892202.db2.gz ZHQFCQGEBQHTAS-MBJXGIAVSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000423109505 387893011 /nfs/dbraw/zinc/89/30/11/387893011.db2.gz HIZKPJFOQANXLX-UKKRHICBSA-N 1 3 248.317 1.734 20 0 BDADHO CC(C)[C@@H](CO)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423110584 387894101 /nfs/dbraw/zinc/89/41/01/387894101.db2.gz PETATCLGQFPCTO-FKJOKYEKSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@@H](NCC1(C(F)(F)F)CCC1)C1C[NH2+]C1 ZINC000423109295 387894216 /nfs/dbraw/zinc/89/42/16/387894216.db2.gz NIMPJHDJUYWTOS-MRVPVSSYSA-N 1 3 236.281 1.917 20 0 BDADHO C[C@@H]1CN(C)CCN1CCC[NH+]1CCCCC1 ZINC000444629464 387896035 /nfs/dbraw/zinc/89/60/35/387896035.db2.gz WCHXJOCUHQFISH-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO FC(F)O[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000423114864 387896191 /nfs/dbraw/zinc/89/61/91/387896191.db2.gz MGPUYHYYNMQTJJ-GHMZBOCLSA-N 1 3 248.317 1.878 20 0 BDADHO FC(F)O[C@@H]1CCCC[C@H]1NC1CC[NH2+]CC1 ZINC000423114864 387896196 /nfs/dbraw/zinc/89/61/96/387896196.db2.gz MGPUYHYYNMQTJJ-GHMZBOCLSA-N 1 3 248.317 1.878 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CCC1 ZINC000423113189 387896449 /nfs/dbraw/zinc/89/64/49/387896449.db2.gz KLSDIPFLCAPXIC-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@H](O)Cc1ccccc1 ZINC000423112589 387896686 /nfs/dbraw/zinc/89/66/86/387896686.db2.gz SBJKNGHRDXAMTI-YRGRVCCFSA-N 1 3 236.359 1.305 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423073358 387875019 /nfs/dbraw/zinc/87/50/19/387875019.db2.gz RDWSTJCJWQXVMQ-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423073358 387875022 /nfs/dbraw/zinc/87/50/22/387875022.db2.gz RDWSTJCJWQXVMQ-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000423082912 387879402 /nfs/dbraw/zinc/87/94/02/387879402.db2.gz FEQBEHRTVLWSSP-UTUOFQBUSA-N 1 3 228.405 1.717 20 0 BDADHO C[C@H](NC[C@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083884 387879480 /nfs/dbraw/zinc/87/94/80/387879480.db2.gz ZJEPPFDPBDLPQO-FZMZJTMJSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1CNC1 ZINC000423083884 387879484 /nfs/dbraw/zinc/87/94/84/387879484.db2.gz ZJEPPFDPBDLPQO-FZMZJTMJSA-N 1 3 240.391 1.515 20 0 BDADHO CSC1(C[NH2+][C@@H](C)C[C@H](C)N)CCC1 ZINC000423087715 387881616 /nfs/dbraw/zinc/88/16/16/387881616.db2.gz OTOHXJGDQCNQEV-UWVGGRQHSA-N 1 3 216.394 1.988 20 0 BDADHO CSC1(CN[C@@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423087715 387881622 /nfs/dbraw/zinc/88/16/22/387881622.db2.gz OTOHXJGDQCNQEV-UWVGGRQHSA-N 1 3 216.394 1.988 20 0 BDADHO CSC1(CN[C@@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423089888 387882067 /nfs/dbraw/zinc/88/20/67/387882067.db2.gz TZSWVQQZHPSCCE-NXEZZACHSA-N 1 3 214.378 1.742 20 0 BDADHO CSC1(CN[C@@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423089891 387882083 /nfs/dbraw/zinc/88/20/83/387882083.db2.gz TZSWVQQZHPSCCE-VHSXEESVSA-N 1 3 214.378 1.742 20 0 BDADHO COCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCC1 ZINC000423117073 387898607 /nfs/dbraw/zinc/89/86/07/387898607.db2.gz SUVGTCBJSCTUKQ-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc2c[nH]nc2c1 ZINC000423098512 387886637 /nfs/dbraw/zinc/88/66/37/387886637.db2.gz CYSIRUYQPNAJKG-OLZOCXBDSA-N 1 3 244.342 1.575 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000423103560 387889205 /nfs/dbraw/zinc/88/92/05/387889205.db2.gz LDBJLHLMRHCFTK-VXGBXAGGSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCC1(O)CCC1 ZINC000423103560 387889209 /nfs/dbraw/zinc/88/92/09/387889209.db2.gz LDBJLHLMRHCFTK-VXGBXAGGSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@@H](F)C1 ZINC000423120285 387900408 /nfs/dbraw/zinc/90/04/08/387900408.db2.gz GRQDVQFSFGNJHN-ZNSHCXBVSA-N 1 3 200.301 1.465 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1cn[nH]c1 ZINC000423126619 387904955 /nfs/dbraw/zinc/90/49/55/387904955.db2.gz RYLVSZLXHAZGLU-VXGBXAGGSA-N 1 3 222.336 1.202 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@H](F)C1 ZINC000423125680 387905246 /nfs/dbraw/zinc/90/52/46/387905246.db2.gz NVVOSTSGDUTHPH-KXNHARMFSA-N 1 3 214.328 1.855 20 0 BDADHO CO[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423126077 387905400 /nfs/dbraw/zinc/90/54/00/387905400.db2.gz APFCDQNFECNUPZ-YNEHKIRRSA-N 1 3 226.364 1.661 20 0 BDADHO Cc1nccnc1CC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000423132000 387909663 /nfs/dbraw/zinc/90/96/63/387909663.db2.gz IOWIQVLUFNCWCH-AAEUAGOBSA-N 1 3 248.374 1.448 20 0 BDADHO C[C@H](F)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423138926 387915611 /nfs/dbraw/zinc/91/56/11/387915611.db2.gz UKLJPHNWMRVWBD-DCAQKATOSA-N 1 3 202.317 1.712 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCC1(CF)CCOCC1 ZINC000423152709 387932175 /nfs/dbraw/zinc/93/21/75/387932175.db2.gz MAUZPWYFCVICCJ-NWDGAFQWSA-N 1 3 244.354 1.340 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCC1(F)F ZINC000423154928 387934234 /nfs/dbraw/zinc/93/42/34/387934234.db2.gz PPYXYFNQDCPBGO-BBBLOLIVSA-N 1 3 218.291 1.891 20 0 BDADHO CC(C)(CN[C@@H]1CCC[C@H]1[NH3+])C1(O)CCCC1 ZINC000423157869 387936099 /nfs/dbraw/zinc/93/60/99/387936099.db2.gz BTICYTLJJLWTHB-VXGBXAGGSA-N 1 3 240.391 1.787 20 0 BDADHO CC/C=C\CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423157329 387936159 /nfs/dbraw/zinc/93/61/59/387936159.db2.gz MORANAVIZTXPDF-XJGNBYBUSA-N 1 3 238.375 1.699 20 0 BDADHO CO[C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423148026 387925639 /nfs/dbraw/zinc/92/56/39/387925639.db2.gz DWJVVYZJKPTQCV-NRUFJFEESA-N 1 3 224.348 1.427 20 0 BDADHO C[C@@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169887 387954504 /nfs/dbraw/zinc/95/45/04/387954504.db2.gz WUZQVCCSKFIOEN-OCIKQUFWSA-N 1 3 224.348 1.427 20 0 BDADHO COc1cccc2c1C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C2 ZINC000423170005 387954788 /nfs/dbraw/zinc/95/47/88/387954788.db2.gz KZLKOMMEDWTRQT-NTZNESFSSA-N 1 3 248.370 1.878 20 0 BDADHO COc1cccc2c1C[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C2 ZINC000423170005 387954793 /nfs/dbraw/zinc/95/47/93/387954793.db2.gz KZLKOMMEDWTRQT-NTZNESFSSA-N 1 3 248.370 1.878 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000423159194 387939067 /nfs/dbraw/zinc/93/90/67/387939067.db2.gz FMZTYCOWCVHJIY-KXNHARMFSA-N 1 3 212.337 1.412 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000424235959 387941809 /nfs/dbraw/zinc/94/18/09/387941809.db2.gz IXOIRWSPYFSJBK-UHFFFAOYSA-N 1 3 247.342 1.521 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCCC1(C)C ZINC000423171331 387956682 /nfs/dbraw/zinc/95/66/82/387956682.db2.gz ZVABEJWSWUQHHJ-OLZOCXBDSA-N 1 3 239.407 1.448 20 0 BDADHO CCC1(CN[C@H]2C[NH2+]CC[C@@H]2C)COC1 ZINC000423161654 387943192 /nfs/dbraw/zinc/94/31/92/387943192.db2.gz NYKBXEYBBBKEKD-QWRGUYRKSA-N 1 3 212.337 1.001 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000423163119 387946258 /nfs/dbraw/zinc/94/62/58/387946258.db2.gz QTEPXAWQKDQFSW-RHYQMDGZSA-N 1 3 212.337 1.007 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000423163656 387946693 /nfs/dbraw/zinc/94/66/93/387946693.db2.gz RFOATUAFLMFXKC-SRVKXCTJSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCO1 ZINC000423164566 387947344 /nfs/dbraw/zinc/94/73/44/387947344.db2.gz WXQAPKIGNZUZBM-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000423164566 387947348 /nfs/dbraw/zinc/94/73/48/387947348.db2.gz WXQAPKIGNZUZBM-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCNCC[C@H]1C ZINC000423165447 387947426 /nfs/dbraw/zinc/94/74/26/387947426.db2.gz XXTJBVLGEKRCCY-UTUOFQBUSA-N 1 3 228.380 1.514 20 0 BDADHO COCCC[C@@H](C)N[C@H]1CCC[NH2+]C1 ZINC000423178346 387964470 /nfs/dbraw/zinc/96/44/70/387964470.db2.gz BVJVMTDATMIFSE-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO CC(C)O[C@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000423179389 387965251 /nfs/dbraw/zinc/96/52/51/387965251.db2.gz CZUSIIDHORQBSF-QWRGUYRKSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)O[C@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000423179389 387965254 /nfs/dbraw/zinc/96/52/54/387965254.db2.gz CZUSIIDHORQBSF-QWRGUYRKSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](CCc1ccc(F)cc1F)NCC[NH3+] ZINC000423180728 387965509 /nfs/dbraw/zinc/96/55/09/387965509.db2.gz ITDYLWBXICVSNK-SECBINFHSA-N 1 3 228.286 1.834 20 0 BDADHO C[C@@H](CCc1c(F)cccc1F)NCC[NH3+] ZINC000423180128 387966177 /nfs/dbraw/zinc/96/61/77/387966177.db2.gz IEDJQTFLGXIJLD-VIFPVBQESA-N 1 3 228.286 1.834 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCCCC1)[C@H]1CCCO1 ZINC000423181283 387967455 /nfs/dbraw/zinc/96/74/55/387967455.db2.gz OQDPSUPPYYXJLU-NWDGAFQWSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@H](NCC1([NH3+])CCCCC1)[C@H]1CCCO1 ZINC000423181283 387967460 /nfs/dbraw/zinc/96/74/60/387967460.db2.gz OQDPSUPPYYXJLU-NWDGAFQWSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)[C@@H](C)O1 ZINC000423182296 387968564 /nfs/dbraw/zinc/96/85/64/387968564.db2.gz LKQZNOZQHHJJKU-RKQHYHRCSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000423184134 387969660 /nfs/dbraw/zinc/96/96/60/387969660.db2.gz MZQOGNPKKOLENL-LMLFDSFASA-N 1 3 202.317 1.983 20 0 BDADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCC[C@H]1F ZINC000423184937 387969853 /nfs/dbraw/zinc/96/98/53/387969853.db2.gz NPUWUWNYYDTAOJ-IJLUTSLNSA-N 1 3 232.343 1.611 20 0 BDADHO COCC[C@@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171406 387956916 /nfs/dbraw/zinc/95/69/16/387956916.db2.gz OITYWNWIDJJVBT-FRRDWIJNSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@@H]([NH2+]C1CCNCC1)C1CCCC1 ZINC000423195210 387979275 /nfs/dbraw/zinc/97/92/75/387979275.db2.gz YVOQEDWVZHZFBU-CYBMUJFWSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@@H](NC1CC[NH2+]CC1)C1CCCC1 ZINC000423195210 387979278 /nfs/dbraw/zinc/97/92/78/387979278.db2.gz YVOQEDWVZHZFBU-CYBMUJFWSA-N 1 3 226.364 1.533 20 0 BDADHO COc1cccc2c1CC[C@H](NCC[NH3+])C2 ZINC000423193875 387979327 /nfs/dbraw/zinc/97/93/27/387979327.db2.gz XGWIEYNUAVEJNM-NSHDSACASA-N 1 3 220.316 1.101 20 0 BDADHO CCO[C@H]1C[C@H](NCC[NH3+])C1(CC)CC ZINC000423192998 387978247 /nfs/dbraw/zinc/97/82/47/387978247.db2.gz WDPNAEQAMKVGRP-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO CNCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000423206972 387991477 /nfs/dbraw/zinc/99/14/77/387991477.db2.gz XLFKXMPUQOJFLS-JTQLQIEISA-N 1 3 216.394 1.717 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NCCC[NH2+]C ZINC000423198722 387984430 /nfs/dbraw/zinc/98/44/30/387984430.db2.gz HLVRTQJADOUUAV-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])[C@H](C)O1 ZINC000424373223 387997831 /nfs/dbraw/zinc/99/78/31/387997831.db2.gz JDMIODVQJYAAPN-ROHXPCBUSA-N 1 3 212.337 1.412 20 0 BDADHO C[C@@H](N[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000423215795 387997921 /nfs/dbraw/zinc/99/79/21/387997921.db2.gz NNLDFNWZDYEMHZ-VEGXAWMVSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCNC1 ZINC000423215795 387997924 /nfs/dbraw/zinc/99/79/24/387997924.db2.gz NNLDFNWZDYEMHZ-VEGXAWMVSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000423214253 387998073 /nfs/dbraw/zinc/99/80/73/387998073.db2.gz ONFHYTGPMPNHSH-MBNYWOFBSA-N 1 3 237.391 1.058 20 0 BDADHO COCCCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420406917 387999568 /nfs/dbraw/zinc/99/95/68/387999568.db2.gz UUFPDJFXYOWBBK-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1C ZINC000424376491 388000075 /nfs/dbraw/zinc/00/00/75/388000075.db2.gz PKGURUYHTJNCMX-UMSGYPCISA-N 1 3 225.380 1.329 20 0 BDADHO CO[C@H](C)CNC1CC[NH+](CC2CC2)CC1 ZINC000309660316 388001066 /nfs/dbraw/zinc/00/10/66/388001066.db2.gz RCRPCHGWEGNHJG-LLVKDONJSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423223173 388003728 /nfs/dbraw/zinc/00/37/28/388003728.db2.gz FDXITHQVQZZEPR-REWJHTLYSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H](N)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227564 388010919 /nfs/dbraw/zinc/01/09/19/388010919.db2.gz WFOWKAMUCQZZTI-FVCCEPFGSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423270005 388035632 /nfs/dbraw/zinc/03/56/32/388035632.db2.gz WGGOFZRSVMWWCH-CYZMBNFOSA-N 1 3 226.364 1.661 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423256371 388036391 /nfs/dbraw/zinc/03/63/91/388036391.db2.gz BSTYDMJZMWZXGF-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CNC ZINC000423255527 388036494 /nfs/dbraw/zinc/03/64/94/388036494.db2.gz AHNYZVDOVKNEPG-FRRDWIJNSA-N 1 3 228.380 1.637 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H](C[NH3+])CC(C)C ZINC000423258850 388039234 /nfs/dbraw/zinc/03/92/34/388039234.db2.gz CQKILUJNGMWZLA-MXWKQRLJSA-N 1 3 202.342 1.373 20 0 BDADHO CC[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249060 388031430 /nfs/dbraw/zinc/03/14/30/388031430.db2.gz OECHOEUGUAWHBO-RYUDHWBXSA-N 1 3 236.363 1.460 20 0 BDADHO CC[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249058 388031742 /nfs/dbraw/zinc/03/17/42/388031742.db2.gz OECHOEUGUAWHBO-NWDGAFQWSA-N 1 3 236.363 1.460 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@H](C)[C@@H]1CCCO1 ZINC000423272523 388051757 /nfs/dbraw/zinc/05/17/57/388051757.db2.gz ZAPXQQUABKEOMZ-UTUOFQBUSA-N 1 3 214.353 1.517 20 0 BDADHO [NH3+]C[C@@H](N[C@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274963 388054534 /nfs/dbraw/zinc/05/45/34/388054534.db2.gz KZPNUXVGFQMURN-UONOGXRCSA-N 1 3 246.354 1.707 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@@H]1CCOC1 ZINC000423274437 388055847 /nfs/dbraw/zinc/05/58/47/388055847.db2.gz KMUFSTWRWLPBDQ-RFQIPJPRSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@H](C[NH3+])C1CC1 ZINC000423280860 388061413 /nfs/dbraw/zinc/06/14/13/388061413.db2.gz SYYLSJIXYCKHAK-BXKDBHETSA-N 1 3 208.305 1.538 20 0 BDADHO C[C@@H]1CC[C@@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000084048030 388069710 /nfs/dbraw/zinc/06/97/10/388069710.db2.gz LQLUBQNFGDQOKT-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CC[C@@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000084048030 388069712 /nfs/dbraw/zinc/06/97/12/388069712.db2.gz LQLUBQNFGDQOKT-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO COc1ccc(C[C@H](C)NCC(C)(C)[NH3+])cn1 ZINC000423286636 388071611 /nfs/dbraw/zinc/07/16/11/388071611.db2.gz HXLCJOOOGWIOQX-JTQLQIEISA-N 1 3 237.347 1.348 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423289325 388074146 /nfs/dbraw/zinc/07/41/46/388074146.db2.gz WTQBLWRGYPYSTG-UTUOFQBUSA-N 1 3 238.375 1.661 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000084217585 388075537 /nfs/dbraw/zinc/07/55/37/388075537.db2.gz TZXRQPSWHSXFOB-DGCLKSJQSA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccccn1 ZINC000084217585 388075538 /nfs/dbraw/zinc/07/55/38/388075538.db2.gz TZXRQPSWHSXFOB-DGCLKSJQSA-N 1 3 219.332 1.341 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@@H](C)OC ZINC000423298334 388079928 /nfs/dbraw/zinc/07/99/28/388079928.db2.gz OCCOFGMYWXOACU-HBNTYKKESA-N 1 3 202.342 1.517 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCC12CCCC2 ZINC000447602330 388081829 /nfs/dbraw/zinc/08/18/29/388081829.db2.gz UGCWZZYHHLDCPA-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@H+](CCCCNCc1cc[nH]n1)C1CC1 ZINC000453593707 388088796 /nfs/dbraw/zinc/08/87/96/388088796.db2.gz HGKXROYOTGBIFT-UHFFFAOYSA-N 1 3 222.336 1.374 20 0 BDADHO C[N@@H+](CCCCNCc1cc[nH]n1)C1CC1 ZINC000453593707 388088801 /nfs/dbraw/zinc/08/88/01/388088801.db2.gz HGKXROYOTGBIFT-UHFFFAOYSA-N 1 3 222.336 1.374 20 0 BDADHO C1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1 ZINC000086727324 388108041 /nfs/dbraw/zinc/10/80/41/388108041.db2.gz MLBLKCCDCPNQKK-QBBLGZLKSA-N 1 3 220.360 1.763 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000261528384 135153458 /nfs/dbraw/zinc/15/34/58/135153458.db2.gz LDITTWBDXHXOMJ-GMTAPVOTSA-N 1 3 214.378 1.599 20 0 BDADHO CC[NH+](CC)CCCCNC(=O)C1(N)CCC1 ZINC000449324888 388173771 /nfs/dbraw/zinc/17/37/71/388173771.db2.gz HZKDGCRDPRDYIT-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H]1CC[N@H+](CCCN2CCCCC2)C[C@@H]1O ZINC000162225526 388128546 /nfs/dbraw/zinc/12/85/46/388128546.db2.gz ZJDMBRNBCPNDAA-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1CC[N@@H+](CCCN2CCCCC2)C[C@@H]1O ZINC000162225526 388128549 /nfs/dbraw/zinc/12/85/49/388128549.db2.gz ZJDMBRNBCPNDAA-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CCCN[C@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000449080170 388139823 /nfs/dbraw/zinc/13/98/23/388139823.db2.gz TWDADZPRLZIYFF-LLVKDONJSA-N 1 3 249.358 1.733 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000449574040 388236192 /nfs/dbraw/zinc/23/61/92/388236192.db2.gz VGLWZLWOUDXBMN-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)[C@]1(C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000397217745 388342631 /nfs/dbraw/zinc/34/26/31/388342631.db2.gz DDWHWIYCAJQPKU-RDBSUJKOSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000568532398 388355877 /nfs/dbraw/zinc/35/58/77/388355877.db2.gz GMVIVNNCFXTANV-XBFCOCLRSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000568532398 388355879 /nfs/dbraw/zinc/35/58/79/388355879.db2.gz GMVIVNNCFXTANV-XBFCOCLRSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)c1cccnc1)CN(C)C ZINC000293655448 388357358 /nfs/dbraw/zinc/35/73/58/388357358.db2.gz LPDJUKIMZNZKFJ-NEPJUHHUSA-N 1 3 221.348 1.930 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@H]1CCCCN1C(C)C ZINC000572760946 388374606 /nfs/dbraw/zinc/37/46/06/388374606.db2.gz KMEVKWBCBXRJOK-NWDGAFQWSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)[C@@H](C(=O)Nc1cccc(CN)c1)[C@@H](C)[NH3+] ZINC000646579689 388388344 /nfs/dbraw/zinc/38/83/44/388388344.db2.gz MUZRBUODQYKQBY-ZWNOBZJWSA-N 1 3 249.358 1.703 20 0 BDADHO COC(=O)CCCNC(C)(C)C[NH+]1CCCC1 ZINC000308578397 388443460 /nfs/dbraw/zinc/44/34/60/388443460.db2.gz NVOLULYDDHLEIN-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO CCOCCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405318841 388459078 /nfs/dbraw/zinc/45/90/78/388459078.db2.gz QHUCKOPRTRJETA-NXEZZACHSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H](C[NH2+]C1CCSCC1)CN(C)C ZINC000336686639 388462783 /nfs/dbraw/zinc/46/27/83/388462783.db2.gz LOMSTFCJJIPKGF-JTQLQIEISA-N 1 3 216.394 1.669 20 0 BDADHO C(N1C[C@H]2C[NH2+]C[C@H]2C1)C12CCC(CC1)C2 ZINC000649253090 388470237 /nfs/dbraw/zinc/47/02/37/388470237.db2.gz HYCASZSEYRJFDZ-AKJUYKBHSA-N 1 3 220.360 1.718 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CC2CCOCC2)C[C@H]1CN ZINC000397486143 388474364 /nfs/dbraw/zinc/47/43/64/388474364.db2.gz UZXYSUQWDZDFKS-YRGRVCCFSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2CCOCC2)C[C@H]1CN ZINC000397486143 388474365 /nfs/dbraw/zinc/47/43/65/388474365.db2.gz UZXYSUQWDZDFKS-YRGRVCCFSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000397549942 388478328 /nfs/dbraw/zinc/47/83/28/388478328.db2.gz RXQHYUINZMFLIL-GRYCIOLGSA-N 1 3 226.364 1.077 20 0 BDADHO C[C@@H](NCCCC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000393425028 388429515 /nfs/dbraw/zinc/42/95/15/388429515.db2.gz LMMAULJKZPHUJN-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO Cc1cc(CCN[C@H]2CCCC[C@H]2C[NH3+])on1 ZINC000573197672 388430942 /nfs/dbraw/zinc/43/09/42/388430942.db2.gz SEBFXEPYONPLHE-AAEUAGOBSA-N 1 3 237.347 1.633 20 0 BDADHO Cc1cc(CC[NH2+][C@H]2CCCC[C@H]2CN)on1 ZINC000573197672 388430943 /nfs/dbraw/zinc/43/09/43/388430943.db2.gz SEBFXEPYONPLHE-AAEUAGOBSA-N 1 3 237.347 1.633 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000352558862 388537465 /nfs/dbraw/zinc/53/74/65/388537465.db2.gz ZWVAIWNRMSQHGB-MGPQQGTHSA-N 1 3 240.391 1.754 20 0 BDADHO c1n[nH]cc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000353625289 388541983 /nfs/dbraw/zinc/54/19/83/388541983.db2.gz FXUDARNSPPVKCO-OLZOCXBDSA-N 1 3 234.347 1.169 20 0 BDADHO c1n[nH]cc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000353625289 388541987 /nfs/dbraw/zinc/54/19/87/388541987.db2.gz FXUDARNSPPVKCO-OLZOCXBDSA-N 1 3 234.347 1.169 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CC[C@H]1CCOC1 ZINC000339409395 388482949 /nfs/dbraw/zinc/48/29/49/388482949.db2.gz LZIWAJMCJBPEEM-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)CO ZINC000086500955 256795255 /nfs/dbraw/zinc/79/52/55/256795255.db2.gz LLWSBTZKBUWYNG-GRYCIOLGSA-N 1 3 214.353 1.268 20 0 BDADHO CN1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)C1 ZINC000516861235 388520672 /nfs/dbraw/zinc/52/06/72/388520672.db2.gz CPCDAJXHDSDBES-HZSPNIEDSA-N 1 3 239.407 1.578 20 0 BDADHO CCCCN(CC)C[C@](C)(O)C[NH2+]C ZINC000516932569 388525935 /nfs/dbraw/zinc/52/59/35/388525935.db2.gz USSFNRFLVSPPRR-LLVKDONJSA-N 1 3 202.342 1.079 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367626634 388566532 /nfs/dbraw/zinc/56/65/32/388566532.db2.gz PPIRKHCEDNOUDZ-JQWIXIFHSA-N 1 3 236.363 1.717 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000252714575 388574674 /nfs/dbraw/zinc/57/46/74/388574674.db2.gz SIBOQSJCAAIVDL-WCQYABFASA-N 1 3 225.380 1.010 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000328344914 388625861 /nfs/dbraw/zinc/62/58/61/388625861.db2.gz LWIRWLIWONEWIF-YIYPIFLZSA-N 1 3 238.375 1.079 20 0 BDADHO CC1(C)C[C@@H]([NH2+]CC[C@H]2CCCOC2)CCN1 ZINC000530212955 388627921 /nfs/dbraw/zinc/62/79/21/388627921.db2.gz SGFNHPLIWZYNBT-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc2n1 ZINC000530217123 388630015 /nfs/dbraw/zinc/63/00/15/388630015.db2.gz FWEVMKVSBCNCNM-CHWSQXEVSA-N 1 3 244.342 1.543 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccncc1 ZINC000530218795 388631460 /nfs/dbraw/zinc/63/14/60/388631460.db2.gz HFHWUOGHJOJVLP-WXHSDQCUSA-N 1 3 219.332 1.655 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccncc1 ZINC000530218689 388632123 /nfs/dbraw/zinc/63/21/23/388632123.db2.gz GRSSDLBHNFOFBG-QWRGUYRKSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)c1ccncc1 ZINC000530218689 388632126 /nfs/dbraw/zinc/63/21/26/388632126.db2.gz GRSSDLBHNFOFBG-QWRGUYRKSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)C1CCOCC1 ZINC000530221194 388633020 /nfs/dbraw/zinc/63/30/20/388633020.db2.gz OTNAFIFMJNTGMF-AAEUAGOBSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@@H]1Cc2ccccc2NC1=O ZINC000530224860 388633837 /nfs/dbraw/zinc/63/38/37/388633837.db2.gz MWNTVBCSLSBIEW-GXFFZTMASA-N 1 3 247.342 1.267 20 0 BDADHO COC[C@@H](C)C[NH2+][C@H]1CCNC12CCC2 ZINC000530245359 388638729 /nfs/dbraw/zinc/63/87/29/388638729.db2.gz WOQSXJGNZPETJE-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000247044205 388657312 /nfs/dbraw/zinc/65/73/12/388657312.db2.gz OJCBEEGCSPXYIX-QWHCGFSZSA-N 1 3 227.396 1.258 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000227084566 388739527 /nfs/dbraw/zinc/73/95/27/388739527.db2.gz QLFTYWJZDOZHEF-SDDRHHMPSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCN2CCCCC2)CCN1C ZINC000128218004 388740945 /nfs/dbraw/zinc/74/09/45/388740945.db2.gz YUVQGINIXMYXRM-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@H]1C[C@H](NCCN2CCCCC2)CC[N@@H+]1C ZINC000128218004 388740946 /nfs/dbraw/zinc/74/09/46/388740946.db2.gz YUVQGINIXMYXRM-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@H]1C[C@H](NCCN2CCCCC2)CC[N@H+]1C ZINC000128218004 388740948 /nfs/dbraw/zinc/74/09/48/388740948.db2.gz YUVQGINIXMYXRM-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCCC2)CCN1C ZINC000128218238 388741598 /nfs/dbraw/zinc/74/15/98/388741598.db2.gz YUVQGINIXMYXRM-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[C@@H](NCCN2CCCCC2)CC[N@@H+]1C ZINC000128218238 388741599 /nfs/dbraw/zinc/74/15/99/388741599.db2.gz YUVQGINIXMYXRM-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[C@@H](NCCN2CCCCC2)CC[N@H+]1C ZINC000128218238 388741601 /nfs/dbraw/zinc/74/16/01/388741601.db2.gz YUVQGINIXMYXRM-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000226438442 388719952 /nfs/dbraw/zinc/71/99/52/388719952.db2.gz WITPJCBORFEEBZ-RWMBFGLXSA-N 1 3 208.349 1.718 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000226438442 388719956 /nfs/dbraw/zinc/71/99/56/388719956.db2.gz WITPJCBORFEEBZ-RWMBFGLXSA-N 1 3 208.349 1.718 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000229971549 388808533 /nfs/dbraw/zinc/80/85/33/388808533.db2.gz IBIXLGQASCBINE-IJLUTSLNSA-N 1 3 214.353 1.110 20 0 BDADHO CC[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128485521 388764958 /nfs/dbraw/zinc/76/49/58/388764958.db2.gz JNJCGIABNAEIFR-CYBMUJFWSA-N 1 3 227.396 1.402 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000565092825 388913725 /nfs/dbraw/zinc/91/37/25/388913725.db2.gz HGEIMXFDMCBNDA-RDBSUJKOSA-N 1 3 242.407 1.761 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000566004136 388982046 /nfs/dbraw/zinc/98/20/46/388982046.db2.gz WNYQZSYZZCUVIS-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CCO[C@H](C(C)C)C1 ZINC000566004136 388982049 /nfs/dbraw/zinc/98/20/49/388982049.db2.gz WNYQZSYZZCUVIS-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000566004135 388982404 /nfs/dbraw/zinc/98/24/04/388982404.db2.gz WNYQZSYZZCUVIS-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000566004135 388982407 /nfs/dbraw/zinc/98/24/07/388982407.db2.gz WNYQZSYZZCUVIS-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]([NH2+]CC1CCSCC1)[C@@H]1CCCN1 ZINC000400611684 533367366 /nfs/dbraw/zinc/36/73/66/533367366.db2.gz YOQHENIUXSKKJN-PWSUYJOCSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H](NCCN1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000400704792 533395119 /nfs/dbraw/zinc/39/51/19/533395119.db2.gz KQLLEOLCZGBVOZ-ZIAGYGMSSA-N 1 3 239.407 1.593 20 0 BDADHO CC[C@H](CO)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274931737 132204412 /nfs/dbraw/zinc/20/44/12/132204412.db2.gz QZQZBISAQFVBCS-CYBMUJFWSA-N 1 3 249.358 1.283 20 0 BDADHO CC[C@H](N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000168987468 134249053 /nfs/dbraw/zinc/24/90/53/134249053.db2.gz GLCSOLLWJFDPDN-WDEREUQCSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000178188715 134304640 /nfs/dbraw/zinc/30/46/40/134304640.db2.gz QHDVBNCFAPSIGJ-GXFFZTMASA-N 1 3 247.342 1.787 20 0 BDADHO CCOc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000220536578 134309877 /nfs/dbraw/zinc/30/98/77/134309877.db2.gz OABWEVMFQPVZMG-LLVKDONJSA-N 1 3 222.332 1.912 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(N)CCCC1 ZINC000178412124 134310032 /nfs/dbraw/zinc/31/00/32/134310032.db2.gz BUPISUXZQQJJTB-NSHDSACASA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000178631485 134312165 /nfs/dbraw/zinc/31/21/65/134312165.db2.gz ZTJCXGSEZDFJGO-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000221388743 134323587 /nfs/dbraw/zinc/32/35/87/134323587.db2.gz QWILHNZOHWUPLU-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000221388743 134323588 /nfs/dbraw/zinc/32/35/88/134323588.db2.gz QWILHNZOHWUPLU-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000221923164 134326832 /nfs/dbraw/zinc/32/68/32/134326832.db2.gz JOYACOLPGACSIP-NEPJUHHUSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000221923164 134326833 /nfs/dbraw/zinc/32/68/33/134326833.db2.gz JOYACOLPGACSIP-NEPJUHHUSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000221923164 134326834 /nfs/dbraw/zinc/32/68/34/134326834.db2.gz JOYACOLPGACSIP-NEPJUHHUSA-N 1 3 216.369 1.730 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000223217730 134337794 /nfs/dbraw/zinc/33/77/94/134337794.db2.gz MHTDNIYVGZITHB-RQJABVFESA-N 1 3 239.407 1.399 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000227342915 134378082 /nfs/dbraw/zinc/37/80/82/134378082.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000227342915 134378083 /nfs/dbraw/zinc/37/80/83/134378083.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CCCCO)CC[C@H]21 ZINC000227342915 134378084 /nfs/dbraw/zinc/37/80/84/134378084.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CCCCO)CC[C@H]21 ZINC000227342915 134378085 /nfs/dbraw/zinc/37/80/85/134378085.db2.gz YEAFRILIHGCUDH-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO [NH3+]CCCN[C@H]1CCc2c1cccc2F ZINC000214683963 134789895 /nfs/dbraw/zinc/78/98/95/134789895.db2.gz QQUDTZRIKSEJPY-LBPRGKRZSA-N 1 3 208.280 1.751 20 0 BDADHO c1cn(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250249980 135052066 /nfs/dbraw/zinc/05/20/66/135052066.db2.gz ORZJBZHPQSLSCB-OLZOCXBDSA-N 1 3 234.347 1.100 20 0 BDADHO c1cn(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250249980 135052068 /nfs/dbraw/zinc/05/20/68/135052068.db2.gz ORZJBZHPQSLSCB-OLZOCXBDSA-N 1 3 234.347 1.100 20 0 BDADHO C(CN1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250834356 135059453 /nfs/dbraw/zinc/05/94/53/135059453.db2.gz KJPGZQRINNWLQT-KBPBESRZSA-N 1 3 237.391 1.299 20 0 BDADHO C(CN1CCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250834356 135059455 /nfs/dbraw/zinc/05/94/55/135059455.db2.gz KJPGZQRINNWLQT-KBPBESRZSA-N 1 3 237.391 1.299 20 0 BDADHO COC[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251127694 135064263 /nfs/dbraw/zinc/06/42/63/135064263.db2.gz SROXFHWZBBOLIB-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251127694 135064265 /nfs/dbraw/zinc/06/42/65/135064265.db2.gz SROXFHWZBBOLIB-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251127694 135064267 /nfs/dbraw/zinc/06/42/67/135064267.db2.gz SROXFHWZBBOLIB-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](CN(C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251135233 135065288 /nfs/dbraw/zinc/06/52/88/135065288.db2.gz VFEZPABTLHQQFR-AGIUHOORSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN(C)C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251135233 135065289 /nfs/dbraw/zinc/06/52/89/135065289.db2.gz VFEZPABTLHQQFR-AGIUHOORSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1N ZINC000251914477 135080937 /nfs/dbraw/zinc/08/09/37/135080937.db2.gz XLLLBAVUSWFOFR-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@@H]1N ZINC000251914477 135080939 /nfs/dbraw/zinc/08/09/39/135080939.db2.gz XLLLBAVUSWFOFR-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000251914477 135080941 /nfs/dbraw/zinc/08/09/41/135080941.db2.gz XLLLBAVUSWFOFR-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO CN(CCOCC[NH3+])CCc1ccccc1 ZINC000086435885 135084181 /nfs/dbraw/zinc/08/41/81/135084181.db2.gz RGVSKXBFKBEDID-UHFFFAOYSA-N 1 3 222.332 1.136 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CCO1 ZINC000252186832 135086528 /nfs/dbraw/zinc/08/65/28/135086528.db2.gz UKGFSANMQHMMEW-XJFOESAGSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000252186832 135086532 /nfs/dbraw/zinc/08/65/32/135086532.db2.gz UKGFSANMQHMMEW-XJFOESAGSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000252186832 135086534 /nfs/dbraw/zinc/08/65/34/135086534.db2.gz UKGFSANMQHMMEW-XJFOESAGSA-N 1 3 238.375 1.770 20 0 BDADHO CCOCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500999 135087314 /nfs/dbraw/zinc/08/73/14/135087314.db2.gz KKRXMIXOWUASTG-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO CCSCC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000252691197 135097227 /nfs/dbraw/zinc/09/72/27/135097227.db2.gz XGXNPNJTYKMUJU-WDEREUQCSA-N 1 3 216.394 1.941 20 0 BDADHO CCSCC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000252691197 135097229 /nfs/dbraw/zinc/09/72/29/135097229.db2.gz XGXNPNJTYKMUJU-WDEREUQCSA-N 1 3 216.394 1.941 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703346 135098624 /nfs/dbraw/zinc/09/86/24/135098624.db2.gz XPNRCKVGFIECDV-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703346 135098626 /nfs/dbraw/zinc/09/86/26/135098626.db2.gz XPNRCKVGFIECDV-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703058 135098774 /nfs/dbraw/zinc/09/87/74/135098774.db2.gz DBIFVIOGBOMAEP-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703058 135098776 /nfs/dbraw/zinc/09/87/76/135098776.db2.gz DBIFVIOGBOMAEP-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000252712747 135099978 /nfs/dbraw/zinc/09/99/78/135099978.db2.gz NGNASSOGARBSRM-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1N ZINC000258811935 135102210 /nfs/dbraw/zinc/10/22/10/135102210.db2.gz CPAAMCHTHUNDIQ-CHWSQXEVSA-N 1 3 204.317 1.964 20 0 BDADHO C[C@]1(CN2CCC3(CCC3)C2)CC[NH2+]C1 ZINC000261554516 135108428 /nfs/dbraw/zinc/10/84/28/135108428.db2.gz UIQWWGVXLBYWJZ-LBPRGKRZSA-N 1 3 208.349 1.862 20 0 BDADHO Cc1cccnc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252875784 135115088 /nfs/dbraw/zinc/11/50/88/135115088.db2.gz VUUJMUSKLITTDT-IHRRRGAJSA-N 1 3 245.370 1.949 20 0 BDADHO CCc1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000258821875 135134757 /nfs/dbraw/zinc/13/47/57/135134757.db2.gz UKJLFUJQGDSKCX-LLVKDONJSA-N 1 3 206.333 1.933 20 0 BDADHO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000258884658 135135457 /nfs/dbraw/zinc/13/54/57/135135457.db2.gz GQZJEGYPKRHNMB-STQMWFEESA-N 1 3 204.317 1.964 20 0 BDADHO C([C@@H]1CCSC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257644441 135137309 /nfs/dbraw/zinc/13/73/09/135137309.db2.gz BTVWAHQUGVFTNI-STQMWFEESA-N 1 3 240.416 1.815 20 0 BDADHO C([C@@H]1CCSC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257644441 135137311 /nfs/dbraw/zinc/13/73/11/135137311.db2.gz BTVWAHQUGVFTNI-STQMWFEESA-N 1 3 240.416 1.815 20 0 BDADHO C(C1CCOCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257652052 135138380 /nfs/dbraw/zinc/13/83/80/135138380.db2.gz DNLAMNZJEOLYDF-CQSZACIVSA-N 1 3 238.375 1.489 20 0 BDADHO CCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCOCC1 ZINC000261545621 135149121 /nfs/dbraw/zinc/14/91/21/135149121.db2.gz GDIUMEGEIMVSEA-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccsc3)C[C@H]12 ZINC000261531455 135160235 /nfs/dbraw/zinc/16/02/35/135160235.db2.gz GOSNKUFOSOYWGI-GRYCIOLGSA-N 1 3 222.357 1.917 20 0 BDADHO CO[C@H](C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261533402 135164978 /nfs/dbraw/zinc/16/49/78/135164978.db2.gz IAHRMIUQCXLUEJ-JHJVBQTASA-N 1 3 228.380 1.922 20 0 BDADHO CO[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261534201 135166427 /nfs/dbraw/zinc/16/64/27/135166427.db2.gz ORDVUJSXEXLFQQ-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CC[C@H]1C ZINC000261534201 135166429 /nfs/dbraw/zinc/16/64/29/135166429.db2.gz ORDVUJSXEXLFQQ-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CC[C@H]1C ZINC000261534201 135166431 /nfs/dbraw/zinc/16/64/31/135166431.db2.gz ORDVUJSXEXLFQQ-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1nccs1 ZINC000261534719 135168025 /nfs/dbraw/zinc/16/80/25/135168025.db2.gz TWDBSVVZTXHDOX-OUAUKWLOSA-N 1 3 239.388 1.964 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000261534719 135168027 /nfs/dbraw/zinc/16/80/27/135168027.db2.gz TWDBSVVZTXHDOX-OUAUKWLOSA-N 1 3 239.388 1.964 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1nccs1 ZINC000261534721 135168309 /nfs/dbraw/zinc/16/83/09/135168309.db2.gz TWDBSVVZTXHDOX-VWYCJHECSA-N 1 3 239.388 1.964 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1nccs1 ZINC000261534721 135168310 /nfs/dbraw/zinc/16/83/10/135168310.db2.gz TWDBSVVZTXHDOX-VWYCJHECSA-N 1 3 239.388 1.964 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000261535506 135169638 /nfs/dbraw/zinc/16/96/38/135169638.db2.gz ZXVGZWMAOHXBOF-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2CCCNC2)CCCO1 ZINC000261535506 135169639 /nfs/dbraw/zinc/16/96/39/135169639.db2.gz ZXVGZWMAOHXBOF-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CCCO1 ZINC000261535506 135169641 /nfs/dbraw/zinc/16/96/41/135169641.db2.gz ZXVGZWMAOHXBOF-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000261535532 135170068 /nfs/dbraw/zinc/17/00/68/135170068.db2.gz OMAXGHYIUQOOGE-GHMZBOCLSA-N 1 3 228.405 1.717 20 0 BDADHO C[C@@]1(C[NH2+]C2CCNCC2)CCCS1 ZINC000087792801 135171275 /nfs/dbraw/zinc/17/12/75/135171275.db2.gz CHPGVPPCQFIZQH-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO C[C@@]1(CNC2CC[NH2+]CC2)CCCS1 ZINC000087792801 135171276 /nfs/dbraw/zinc/17/12/76/135171276.db2.gz CHPGVPPCQFIZQH-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H]1CCCO1 ZINC000261536799 135172915 /nfs/dbraw/zinc/17/29/15/135172915.db2.gz TUFJUHWCBNOWQW-RHYQMDGZSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000261536799 135172916 /nfs/dbraw/zinc/17/29/16/135172916.db2.gz TUFJUHWCBNOWQW-RHYQMDGZSA-N 1 3 212.337 1.142 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000261538039 135175160 /nfs/dbraw/zinc/17/51/60/135175160.db2.gz XFPKDULDMOARFQ-MNOVXSKESA-N 1 3 214.353 1.376 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000261538040 135175344 /nfs/dbraw/zinc/17/53/44/135175344.db2.gz XFPKDULDMOARFQ-QWRGUYRKSA-N 1 3 214.353 1.376 20 0 BDADHO CCC[C@](C)(CO)[NH2+]C[C@@H]1CCCNC1 ZINC000261540209 135179442 /nfs/dbraw/zinc/17/94/42/135179442.db2.gz DUKHHSHTHNUTHV-VXGBXAGGSA-N 1 3 214.353 1.127 20 0 BDADHO CCC[C@](C)(CO)NC[C@@H]1CCC[NH2+]C1 ZINC000261540209 135179444 /nfs/dbraw/zinc/17/94/44/135179444.db2.gz DUKHHSHTHNUTHV-VXGBXAGGSA-N 1 3 214.353 1.127 20 0 BDADHO C[C@H](c1cccnc1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261542125 135182554 /nfs/dbraw/zinc/18/25/54/135182554.db2.gz BVIWQPVHFLACGH-SAXRGWBVSA-N 1 3 231.343 1.812 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261544689 135186244 /nfs/dbraw/zinc/18/62/44/135186244.db2.gz YTTYLMAJYFGYSP-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC000261548898 135187355 /nfs/dbraw/zinc/18/73/55/135187355.db2.gz OAOPSRSJSOXDDF-JSGCOSHPSA-N 1 3 233.359 1.198 20 0 BDADHO C[C@H]1C[C@H](NCC[NH3+])CN1Cc1ccccc1 ZINC000261548898 135187357 /nfs/dbraw/zinc/18/73/57/135187357.db2.gz OAOPSRSJSOXDDF-JSGCOSHPSA-N 1 3 233.359 1.198 20 0 BDADHO CCOCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084216112 135192290 /nfs/dbraw/zinc/19/22/90/135192290.db2.gz BONGANRAPBWHLJ-WDEREUQCSA-N 1 3 200.326 1.130 20 0 BDADHO CCOCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216112 135192291 /nfs/dbraw/zinc/19/22/91/135192291.db2.gz BONGANRAPBWHLJ-WDEREUQCSA-N 1 3 200.326 1.130 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3cccnc3)C[C@@H]12 ZINC000261553894 135193456 /nfs/dbraw/zinc/19/34/56/135193456.db2.gz OKVXLMATTDHKSP-MGPQQGTHSA-N 1 3 231.343 1.293 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000261554641 135194268 /nfs/dbraw/zinc/19/42/68/135194268.db2.gz BAAHUFOLXLNSFE-SRVKXCTJSA-N 1 3 247.342 1.265 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000261556471 135197155 /nfs/dbraw/zinc/19/71/55/135197155.db2.gz QUBVGYSTWYCJOQ-DMDPSCGWSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559319 135200231 /nfs/dbraw/zinc/20/02/31/135200231.db2.gz TXAUUFNXIRKWLB-ABAIWWIYSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@@H]1NC1Cc2ccccc2C1 ZINC000261559319 135200233 /nfs/dbraw/zinc/20/02/33/135200233.db2.gz TXAUUFNXIRKWLB-ABAIWWIYSA-N 1 3 230.355 1.741 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000261564153 135206212 /nfs/dbraw/zinc/20/62/12/135206212.db2.gz XNEWWOAIUIWYGG-ZDUSSCGKSA-N 1 3 233.359 1.602 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCc1cccnc1 ZINC000261564153 135206213 /nfs/dbraw/zinc/20/62/13/135206213.db2.gz XNEWWOAIUIWYGG-ZDUSSCGKSA-N 1 3 233.359 1.602 20 0 BDADHO Cc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000261568756 135210079 /nfs/dbraw/zinc/21/00/79/135210079.db2.gz FWBLRFYKMNMHLX-UHFFFAOYSA-N 1 3 204.317 1.966 20 0 BDADHO Cc1ccc(CN(C)CCOCC[NH3+])s1 ZINC000261570089 135211948 /nfs/dbraw/zinc/21/19/48/135211948.db2.gz GPIKYUJYROGTPI-UHFFFAOYSA-N 1 3 228.361 1.464 20 0 BDADHO CC[C@H]1COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000084384878 135218215 /nfs/dbraw/zinc/21/82/15/135218215.db2.gz FZLHEQWEBGRSAA-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCOCC(F)F ZINC000261593085 135233315 /nfs/dbraw/zinc/23/33/15/135233315.db2.gz WLQRRPFECOSFCF-SECBINFHSA-N 1 3 236.306 1.246 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCOCC(F)F ZINC000261593085 135233317 /nfs/dbraw/zinc/23/33/17/135233317.db2.gz WLQRRPFECOSFCF-SECBINFHSA-N 1 3 236.306 1.246 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261596172 135236132 /nfs/dbraw/zinc/23/61/32/135236132.db2.gz YOVHKFXWZPGIFH-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261596172 135236134 /nfs/dbraw/zinc/23/61/34/135236134.db2.gz YOVHKFXWZPGIFH-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@]1(C[NH3+])CCN(Cc2cccc(N)c2)C1 ZINC000261609212 135237975 /nfs/dbraw/zinc/23/79/75/135237975.db2.gz BSIBUWAXRRWVIY-ZDUSSCGKSA-N 1 3 219.332 1.440 20 0 BDADHO C[C@@]1(CN)CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261609212 135237976 /nfs/dbraw/zinc/23/79/76/135237976.db2.gz BSIBUWAXRRWVIY-ZDUSSCGKSA-N 1 3 219.332 1.440 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261609212 135237977 /nfs/dbraw/zinc/23/79/77/135237977.db2.gz BSIBUWAXRRWVIY-ZDUSSCGKSA-N 1 3 219.332 1.440 20 0 BDADHO C[C@H]1CSCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261547010 135239082 /nfs/dbraw/zinc/23/90/82/135239082.db2.gz LOERQXDSPGWNMX-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@H]1CSCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261547010 135239084 /nfs/dbraw/zinc/23/90/84/135239084.db2.gz LOERQXDSPGWNMX-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@H]1CSCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261547010 135239086 /nfs/dbraw/zinc/23/90/86/135239086.db2.gz LOERQXDSPGWNMX-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261547455 135239948 /nfs/dbraw/zinc/23/99/48/135239948.db2.gz ICVYYPDXWJUJMP-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000261547813 135240908 /nfs/dbraw/zinc/24/09/08/135240908.db2.gz IOYNKAGDZPKHKC-STQMWFEESA-N 1 3 236.363 1.299 20 0 BDADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628492 135242113 /nfs/dbraw/zinc/24/21/13/135242113.db2.gz DJSYHWMPLNAKKS-RISCZKNCSA-N 1 3 233.359 1.971 20 0 BDADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628492 135242114 /nfs/dbraw/zinc/24/21/14/135242114.db2.gz DJSYHWMPLNAKKS-RISCZKNCSA-N 1 3 233.359 1.971 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1C ZINC000261654263 135242330 /nfs/dbraw/zinc/24/23/30/135242330.db2.gz BGTBJKWNSHSIJM-FRRDWIJNSA-N 1 3 225.380 1.010 20 0 BDADHO Cc1noc(C)c1CNC[C@H]1CC[NH2+][C@H](C)C1 ZINC000261728459 135248420 /nfs/dbraw/zinc/24/84/20/135248420.db2.gz NZYUNJSRWRWYMM-SKDRFNHKSA-N 1 3 237.347 1.769 20 0 BDADHO C[C@]1(CN(C[C@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871915 135259431 /nfs/dbraw/zinc/25/94/31/135259431.db2.gz OZWXSKINKUUBCX-OCCSQVGLSA-N 1 3 238.375 1.487 20 0 BDADHO CN(CCN1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000261903155 135261604 /nfs/dbraw/zinc/26/16/04/135261604.db2.gz WTSJXTINIWGWRF-OAHLLOKOSA-N 1 3 247.386 1.794 20 0 BDADHO CN(CC[N@@H+]1CC[C@](C)(CN)C1)c1ccccc1 ZINC000261903155 135261606 /nfs/dbraw/zinc/26/16/06/135261606.db2.gz WTSJXTINIWGWRF-OAHLLOKOSA-N 1 3 247.386 1.794 20 0 BDADHO CN(CC[N@H+]1CC[C@](C)(CN)C1)c1ccccc1 ZINC000261903155 135261608 /nfs/dbraw/zinc/26/16/08/135261608.db2.gz WTSJXTINIWGWRF-OAHLLOKOSA-N 1 3 247.386 1.794 20 0 BDADHO COC(=O)C(C)(C)CCN1CC[C@](C)(C[NH3+])C1 ZINC000261912853 135262754 /nfs/dbraw/zinc/26/27/54/135262754.db2.gz JMGCIFDGHCPXNU-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)C(C)(C)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000261912853 135262756 /nfs/dbraw/zinc/26/27/56/135262756.db2.gz JMGCIFDGHCPXNU-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)C(C)(C)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000261912853 135262757 /nfs/dbraw/zinc/26/27/57/135262757.db2.gz JMGCIFDGHCPXNU-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO C[C@@H]1[C@@H](C)N(C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000261928562 135263773 /nfs/dbraw/zinc/26/37/73/135263773.db2.gz LGZTUIATVLDGDA-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1[C@H](C)N(C[C@H]2CCC[NH2+]C2)CCN1C ZINC000261928555 135263826 /nfs/dbraw/zinc/26/38/26/135263826.db2.gz LGZTUIATVLDGDA-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO CCC[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262080555 135277500 /nfs/dbraw/zinc/27/75/00/135277500.db2.gz AXOMRLMSFKEHPZ-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262080555 135277502 /nfs/dbraw/zinc/27/75/02/135277502.db2.gz AXOMRLMSFKEHPZ-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@H](C2CC2)C1 ZINC000262121908 135280269 /nfs/dbraw/zinc/28/02/69/135280269.db2.gz MDJBJVZKYSSVIB-RFQIPJPRSA-N 1 3 238.375 1.125 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000262121908 135280271 /nfs/dbraw/zinc/28/02/71/135280271.db2.gz MDJBJVZKYSSVIB-RFQIPJPRSA-N 1 3 238.375 1.125 20 0 BDADHO CCc1ccc([C@H]2CNCCN2CC[NH3+])cc1 ZINC000262311624 135292278 /nfs/dbraw/zinc/29/22/78/135292278.db2.gz ZBKYXYXOCBMZJI-CQSZACIVSA-N 1 3 233.359 1.154 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)[C@H](C)CC ZINC000262709231 135314733 /nfs/dbraw/zinc/31/47/33/135314733.db2.gz OQKSSRZMUJCFNW-VXGBXAGGSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)[C@H](C)CC ZINC000262709231 135314735 /nfs/dbraw/zinc/31/47/35/135314735.db2.gz OQKSSRZMUJCFNW-VXGBXAGGSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@@H]1C(F)F ZINC000348156668 136040763 /nfs/dbraw/zinc/04/07/63/136040763.db2.gz ITHHUOWOUMUFOI-SAVGLBRCSA-N 1 3 232.318 1.958 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@@H]1C(F)F ZINC000348156668 136040764 /nfs/dbraw/zinc/04/07/64/136040764.db2.gz ITHHUOWOUMUFOI-SAVGLBRCSA-N 1 3 232.318 1.958 20 0 BDADHO COC[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335570841 136109179 /nfs/dbraw/zinc/10/91/79/136109179.db2.gz VTNYHRZSSFXXBT-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO COC[C@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335570841 136109180 /nfs/dbraw/zinc/10/91/80/136109180.db2.gz VTNYHRZSSFXXBT-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO CC1(F)CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000257843661 397830584 /nfs/dbraw/zinc/83/05/84/397830584.db2.gz CLFCDRKBPADXQV-SNVBAGLBSA-N 1 3 200.301 1.420 20 0 BDADHO CCOC[C@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000414831554 398050216 /nfs/dbraw/zinc/05/02/16/398050216.db2.gz CLULFWRCDSJLAF-WDEREUQCSA-N 1 3 202.342 1.374 20 0 BDADHO [NH3+]CCCN(CCO)[C@H]1CCCc2ccccc21 ZINC000414689245 398018575 /nfs/dbraw/zinc/01/85/75/398018575.db2.gz FOOOBUKQIDYHEM-HNNXBMFYSA-N 1 3 248.370 1.707 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000383887214 398047881 /nfs/dbraw/zinc/04/78/81/398047881.db2.gz TXEYVJPFKJNIPF-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)O1 ZINC000384735924 398103337 /nfs/dbraw/zinc/10/33/37/398103337.db2.gz KPXOWCSAPUFSEB-ZIQFBCGOSA-N 1 3 212.337 1.412 20 0 BDADHO C[N@H+](C[C@H](O)CNCC1(C(F)F)CC1)C1CC1 ZINC000566123375 398097328 /nfs/dbraw/zinc/09/73/28/398097328.db2.gz IPYVKQNFIPPSSF-SNVBAGLBSA-N 1 3 248.317 1.076 20 0 BDADHO C[N@@H+](C[C@H](O)CNCC1(C(F)F)CC1)C1CC1 ZINC000566123375 398097333 /nfs/dbraw/zinc/09/73/33/398097333.db2.gz IPYVKQNFIPPSSF-SNVBAGLBSA-N 1 3 248.317 1.076 20 0 BDADHO Cc1cc(N)cc(C[NH2+]CC(C)(C)N)c1 ZINC000414969808 398131671 /nfs/dbraw/zinc/13/16/71/398131671.db2.gz UDHVCPDMRHXXKC-UHFFFAOYSA-N 1 3 207.321 1.404 20 0 BDADHO CNCc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662400024 487598570 /nfs/dbraw/zinc/59/85/70/487598570.db2.gz YQMJZYIATAJKHG-XYPYZODXSA-N 1 3 233.315 1.082 20 0 BDADHO CO[C@@H](C[N@@H+]1CCCNCC1)C1CCCCC1 ZINC000662241718 409528738 /nfs/dbraw/zinc/52/87/38/409528738.db2.gz WBNRDFGZOPJERN-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H](C[N@H+]1CCCNCC1)C1CCCCC1 ZINC000662241718 409528745 /nfs/dbraw/zinc/52/87/45/409528745.db2.gz WBNRDFGZOPJERN-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@@H](OC)C2CCCC2)C1 ZINC000662244135 409536039 /nfs/dbraw/zinc/53/60/39/409536039.db2.gz CRKCLSGTRUXEJG-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1C[NH+](C[C@H]2CCC3(CNC3)O2)C[C@H]1C ZINC000662253589 409553207 /nfs/dbraw/zinc/55/32/07/409553207.db2.gz ANXOVWXQOTXFRC-IJLUTSLNSA-N 1 3 224.348 1.095 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000662276812 409589859 /nfs/dbraw/zinc/58/98/59/409589859.db2.gz LDVHUJGVRCWIBC-LBPRGKRZSA-N 1 3 208.349 1.930 20 0 BDADHO CCN(CCOC)[C@@H]1CCC[NH2+]CC1 ZINC000082666824 409850738 /nfs/dbraw/zinc/85/07/38/409850738.db2.gz IKIRWODBPLOELL-LLVKDONJSA-N 1 3 200.326 1.097 20 0 BDADHO CC(C)(CC[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662818084 409932128 /nfs/dbraw/zinc/93/21/28/409932128.db2.gz OKIFVRASZMJSNW-UHFFFAOYSA-N 1 3 247.342 1.147 20 0 BDADHO C[C@H]1OCC[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650718106 410355352 /nfs/dbraw/zinc/35/53/52/410355352.db2.gz YFZMDOMMAINWMC-NOZJJQNGSA-N 1 3 238.306 1.551 20 0 BDADHO C[C@@H](CO)C1CC[NH+](CC(C)(C)N)CC1 ZINC000650714939 410348224 /nfs/dbraw/zinc/34/82/24/410348224.db2.gz IAOBMYHZHPOADU-JTQLQIEISA-N 1 3 214.353 1.064 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1nccn1C ZINC000650746061 410384539 /nfs/dbraw/zinc/38/45/39/410384539.db2.gz VCRIJZBGDBTDDK-JTQLQIEISA-N 1 3 222.336 1.200 20 0 BDADHO CCn1ccnc1[C@H](C)NCCC1(C[NH3+])CC1 ZINC000650746893 410385076 /nfs/dbraw/zinc/38/50/76/410385076.db2.gz NBIJXZVESGLCFL-NSHDSACASA-N 1 3 236.363 1.683 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000300398269 410533328 /nfs/dbraw/zinc/53/33/28/410533328.db2.gz SVQAUNBFXDIALG-RWMBFGLXSA-N 1 3 228.380 1.502 20 0 BDADHO CCN(CC)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357361928 169764131 /nfs/dbraw/zinc/76/41/31/169764131.db2.gz GBZKTEVCMWEIJW-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO Nc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000665232976 410724137 /nfs/dbraw/zinc/72/41/37/410724137.db2.gz YNUFAAOLTSOCKG-UHFFFAOYSA-N 1 3 245.370 1.985 20 0 BDADHO C[C@H](NCCCc1ccco1)C1C[NH2+]C1 ZINC000665282708 410761641 /nfs/dbraw/zinc/76/16/41/410761641.db2.gz AFHWKBLLGJXQOT-JTQLQIEISA-N 1 3 208.305 1.410 20 0 BDADHO C[C@H]([NH2+]CCCc1ccco1)C1CNC1 ZINC000665282708 410761648 /nfs/dbraw/zinc/76/16/48/410761648.db2.gz AFHWKBLLGJXQOT-JTQLQIEISA-N 1 3 208.305 1.410 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)[C@H](C)O1 ZINC000395042843 410834066 /nfs/dbraw/zinc/83/40/66/410834066.db2.gz JVSJPWKAAJOYTP-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO CC(C)CN1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062949048 166973539 /nfs/dbraw/zinc/97/35/39/166973539.db2.gz NTHIVYFLPAFEAH-ZIAGYGMSSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)[NH2+]CCCN1CCCN(C)CC1 ZINC000037480282 167101771 /nfs/dbraw/zinc/10/17/71/167101771.db2.gz IRWKRNQXMCOPBC-UHFFFAOYSA-N 1 3 213.369 1.012 20 0 BDADHO CC(C)OCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252789916 167233889 /nfs/dbraw/zinc/23/38/89/167233889.db2.gz YHVYZVYHIKVTIX-QWRGUYRKSA-N 1 3 200.326 1.081 20 0 BDADHO c1coc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400940069 411163799 /nfs/dbraw/zinc/16/37/99/411163799.db2.gz AVMLIRIVJZJOFN-IJLUTSLNSA-N 1 3 220.316 1.757 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000037175249 411146502 /nfs/dbraw/zinc/14/65/02/411146502.db2.gz BHQASQCQSITTFV-GHMZBOCLSA-N 1 3 214.378 1.423 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H]1CCSC1 ZINC000037175249 411146503 /nfs/dbraw/zinc/14/65/03/411146503.db2.gz BHQASQCQSITTFV-GHMZBOCLSA-N 1 3 214.378 1.423 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H]1CCSC1 ZINC000037175249 411146504 /nfs/dbraw/zinc/14/65/04/411146504.db2.gz BHQASQCQSITTFV-GHMZBOCLSA-N 1 3 214.378 1.423 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000400634478 411157391 /nfs/dbraw/zinc/15/73/91/411157391.db2.gz QAOSFZNXXSHTJB-RDBSUJKOSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000400634478 411157395 /nfs/dbraw/zinc/15/73/95/411157395.db2.gz QAOSFZNXXSHTJB-RDBSUJKOSA-N 1 3 238.375 1.474 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](NCC2CCOCC2)C1 ZINC000401710281 411170678 /nfs/dbraw/zinc/17/06/78/411170678.db2.gz DHYQHBQXHPGFOZ-CMPLNLGQSA-N 1 3 212.337 1.001 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCCC[C@H]1CO ZINC000653784009 411171024 /nfs/dbraw/zinc/17/10/24/411171024.db2.gz BMTUADDBSLTIAB-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCCC[C@H]1CO ZINC000653784009 411171026 /nfs/dbraw/zinc/17/10/26/411171026.db2.gz BMTUADDBSLTIAB-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[N@H+](C)CC(C)C ZINC000652222110 411175991 /nfs/dbraw/zinc/17/59/91/411175991.db2.gz FVVNBDAJHKZTAS-QWHCGFSZSA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[N@@H+](C)CC(C)C ZINC000652222110 411175993 /nfs/dbraw/zinc/17/59/93/411175993.db2.gz FVVNBDAJHKZTAS-QWHCGFSZSA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652222110 411175996 /nfs/dbraw/zinc/17/59/96/411175996.db2.gz FVVNBDAJHKZTAS-QWHCGFSZSA-N 1 3 230.396 1.977 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198157 411203310 /nfs/dbraw/zinc/20/33/10/411203310.db2.gz HUNOTZJMADKSIZ-WUHRBBMRSA-N 1 3 226.364 1.397 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000652338156 411204135 /nfs/dbraw/zinc/20/41/35/411204135.db2.gz GULMOMJZGQMOJZ-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000652338156 411204138 /nfs/dbraw/zinc/20/41/38/411204138.db2.gz GULMOMJZGQMOJZ-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC2(C1)CCCCC2 ZINC000652338156 411204140 /nfs/dbraw/zinc/20/41/40/411204140.db2.gz GULMOMJZGQMOJZ-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000656201893 411207610 /nfs/dbraw/zinc/20/76/10/411207610.db2.gz USAMAPNGRFOHDX-SDDRHHMPSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C[C@H](C)N ZINC000656201893 411207612 /nfs/dbraw/zinc/20/76/12/411207612.db2.gz USAMAPNGRFOHDX-SDDRHHMPSA-N 1 3 221.348 1.728 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000310226850 411227635 /nfs/dbraw/zinc/22/76/35/411227635.db2.gz GXBCTAHBSTYIQL-STQMWFEESA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000310226850 411227638 /nfs/dbraw/zinc/22/76/38/411227638.db2.gz GXBCTAHBSTYIQL-STQMWFEESA-N 1 3 242.407 1.808 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422905644 411235224 /nfs/dbraw/zinc/23/52/24/411235224.db2.gz IMSZIKSIPWEXAY-WCQYABFASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173583 411236579 /nfs/dbraw/zinc/23/65/79/411236579.db2.gz ZGYOWLUECJAZIS-OBPIAQAESA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCN1 ZINC000423173583 411236581 /nfs/dbraw/zinc/23/65/81/411236581.db2.gz ZGYOWLUECJAZIS-OBPIAQAESA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CCOC1 ZINC000396726909 411240787 /nfs/dbraw/zinc/24/07/87/411240787.db2.gz ZDZBJCQGKAGLHE-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)OCCCN1CCC(C)([NH3+])CC1 ZINC000309401488 411242065 /nfs/dbraw/zinc/24/20/65/411242065.db2.gz HKHGFLDRPYVPSE-UHFFFAOYSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@H]1CNC[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC000401717630 411299288 /nfs/dbraw/zinc/29/92/88/411299288.db2.gz BXQDFEWQTLSWHH-DZGCQCFKSA-N 1 3 248.370 1.791 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CC3(F)CC3)C[C@H]21 ZINC000309420161 411306983 /nfs/dbraw/zinc/30/69/83/411306983.db2.gz XUMCPRMISLXCHB-HBNTYKKESA-N 1 3 212.312 1.548 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN(C)C)CCO1 ZINC000309801969 411252610 /nfs/dbraw/zinc/25/26/10/411252610.db2.gz WRATVHIIMPGLIZ-RWMBFGLXSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403877489 411363041 /nfs/dbraw/zinc/36/30/41/411363041.db2.gz SXXCHGRHIGQUGH-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO Nc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000656786013 411364112 /nfs/dbraw/zinc/36/41/12/411364112.db2.gz SWSZYEHRYWABKJ-CHWSQXEVSA-N 1 3 219.332 1.628 20 0 BDADHO CCOC[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000656789540 411369249 /nfs/dbraw/zinc/36/92/49/411369249.db2.gz PVADMBAOJHJPLB-JTQLQIEISA-N 1 3 200.326 1.273 20 0 BDADHO Nc1ccc2c(c1)CC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000656791663 411371256 /nfs/dbraw/zinc/37/12/56/411371256.db2.gz KTHHXEPYPUXEMD-DZGCQCFKSA-N 1 3 245.370 1.988 20 0 BDADHO Cc1nc(CC[NH2+][C@H]2CNC[C@H](C)C2)cs1 ZINC000401800797 411334575 /nfs/dbraw/zinc/33/45/75/411334575.db2.gz MSVOIZCJERPALS-BXKDBHETSA-N 1 3 239.388 1.582 20 0 BDADHO c1cc([C@@H]2CNCCO2)ccc1N[C@H]1CC[NH2+]C1 ZINC000656793255 411372130 /nfs/dbraw/zinc/37/21/30/411372130.db2.gz SBMXXVUNSXSABO-KBPBESRZSA-N 1 3 247.342 1.121 20 0 BDADHO CCC[C@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661561 411375895 /nfs/dbraw/zinc/37/58/95/411375895.db2.gz DGSIAXBETKWCKT-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661561 411375899 /nfs/dbraw/zinc/37/58/99/411375899.db2.gz DGSIAXBETKWCKT-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000119913257 168179079 /nfs/dbraw/zinc/17/90/79/168179079.db2.gz XWHDGIPELOSKPD-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)[C@@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000644996387 411387001 /nfs/dbraw/zinc/38/70/01/411387001.db2.gz HHPCVJNZANDDON-AWEZNQCLSA-N 1 3 249.358 1.221 20 0 BDADHO NCc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653043425 411401641 /nfs/dbraw/zinc/40/16/41/411401641.db2.gz VWIPNXATAIUGSZ-LBPRGKRZSA-N 1 3 247.342 1.474 20 0 BDADHO CC(C)O[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000404625106 411402483 /nfs/dbraw/zinc/40/24/83/411402483.db2.gz CDXAXNSWQYPPMP-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO CNCc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000122746204 411435125 /nfs/dbraw/zinc/43/51/25/411435125.db2.gz XUZOXCXSFXHVLI-LBPRGKRZSA-N 1 3 247.342 1.487 20 0 BDADHO CCO[C@@H]1C[N@@H+]([C@@H](C)CC)C[C@H]1CN ZINC000405593247 411435378 /nfs/dbraw/zinc/43/53/78/411435378.db2.gz NHRZSIBUICIUJY-HBNTYKKESA-N 1 3 200.326 1.081 20 0 BDADHO CCO[C@@H]1C[N@H+]([C@@H](C)CC)C[C@H]1CN ZINC000405593247 411435380 /nfs/dbraw/zinc/43/53/80/411435380.db2.gz NHRZSIBUICIUJY-HBNTYKKESA-N 1 3 200.326 1.081 20 0 BDADHO CCO[C@@H]1CN([C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405593247 411435383 /nfs/dbraw/zinc/43/53/83/411435383.db2.gz NHRZSIBUICIUJY-HBNTYKKESA-N 1 3 200.326 1.081 20 0 BDADHO COc1cccc2c1CC[C@@H](N[C@H](C)C[NH3+])C2 ZINC000414924428 411468535 /nfs/dbraw/zinc/46/85/35/411468535.db2.gz HBQHZKDMHZHJPU-ZYHUDNBSSA-N 1 3 234.343 1.489 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415160 411488678 /nfs/dbraw/zinc/48/86/78/411488678.db2.gz ALDRBSOLWOIQSS-QWHCGFSZSA-N 1 3 240.391 1.970 20 0 BDADHO CN(C)[C@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415160 411488680 /nfs/dbraw/zinc/48/86/80/411488680.db2.gz ALDRBSOLWOIQSS-QWHCGFSZSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H](NCCC[NH3+])[C@@H]1COc2ccccc21 ZINC000415088252 411490730 /nfs/dbraw/zinc/49/07/30/411490730.db2.gz VYJATYOEKRCNIY-PWSUYJOCSA-N 1 3 220.316 1.490 20 0 BDADHO C[C@@H]([NH2+]CCCN)[C@@H]1COc2ccccc21 ZINC000415088252 411490733 /nfs/dbraw/zinc/49/07/33/411490733.db2.gz VYJATYOEKRCNIY-PWSUYJOCSA-N 1 3 220.316 1.490 20 0 BDADHO COC[C@H](CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000659983456 411517629 /nfs/dbraw/zinc/51/76/29/411517629.db2.gz MOPOQBXOORGKFO-AGIUHOORSA-N 1 3 244.379 1.062 20 0 BDADHO COC[C@H](CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000659983456 411517630 /nfs/dbraw/zinc/51/76/30/411517630.db2.gz MOPOQBXOORGKFO-AGIUHOORSA-N 1 3 244.379 1.062 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250337727 170010386 /nfs/dbraw/zinc/01/03/86/170010386.db2.gz PHZLQACNPGKFEQ-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO CCN1CC[C@@H]([NH2+]Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168931 170012296 /nfs/dbraw/zinc/01/22/96/170012296.db2.gz OIIOLGDOIKBMCO-GXFFZTMASA-N 1 3 236.363 1.538 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000360416465 170016395 /nfs/dbraw/zinc/01/63/95/170016395.db2.gz IFGADPOCTBRJGY-MCIONIFRSA-N 1 3 239.407 1.258 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)OC)C[C@@H]1C ZINC000362183645 170017588 /nfs/dbraw/zinc/01/75/88/170017588.db2.gz PWANSSTZAJVPHL-RYUDHWBXSA-N 1 3 242.363 1.354 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)OC)C[C@@H]1C ZINC000362183645 170017590 /nfs/dbraw/zinc/01/75/90/170017590.db2.gz PWANSSTZAJVPHL-RYUDHWBXSA-N 1 3 242.363 1.354 20 0 BDADHO CC[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC000053658984 170111991 /nfs/dbraw/zinc/11/19/91/170111991.db2.gz WBYGVHMLUACYIH-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO CC[NH2+]CCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000236946196 170114398 /nfs/dbraw/zinc/11/43/98/170114398.db2.gz NYCUCQLCIGSBPK-YPMHNXCESA-N 1 3 249.358 1.048 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657620908 411566618 /nfs/dbraw/zinc/56/66/18/411566618.db2.gz SIUSUDKEISOSDJ-TUAOUCFPSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657620908 411566620 /nfs/dbraw/zinc/56/66/20/411566620.db2.gz SIUSUDKEISOSDJ-TUAOUCFPSA-N 1 3 212.337 1.238 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CNC1(C2CC2)CC1 ZINC000660253648 411560053 /nfs/dbraw/zinc/56/00/53/411560053.db2.gz KPYQKXLTQARMNH-GFCCVEGCSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CNC1(C2CC2)CC1 ZINC000660253648 411560054 /nfs/dbraw/zinc/56/00/54/411560054.db2.gz KPYQKXLTQARMNH-GFCCVEGCSA-N 1 3 226.364 1.220 20 0 BDADHO CCOC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889584 170331943 /nfs/dbraw/zinc/33/19/43/170331943.db2.gz XXCJVHFWLKRBGL-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO CCOCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000121869959 170375222 /nfs/dbraw/zinc/37/52/22/170375222.db2.gz ORVICWBLGQONKC-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO CCOCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000121869959 170375223 /nfs/dbraw/zinc/37/52/23/170375223.db2.gz ORVICWBLGQONKC-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO CCOCC[N@H+](CC)CC[C@H]1CCCN1C ZINC000121116024 170394400 /nfs/dbraw/zinc/39/44/00/170394400.db2.gz RKWQJWBPEFJREY-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCC[N@@H+](CC)CC[C@H]1CCCN1C ZINC000121116024 170394401 /nfs/dbraw/zinc/39/44/01/170394401.db2.gz RKWQJWBPEFJREY-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000250397693 170398566 /nfs/dbraw/zinc/39/85/66/170398566.db2.gz PPAFFHSLSCRNGJ-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000250397693 170398568 /nfs/dbraw/zinc/39/85/68/170398568.db2.gz PPAFFHSLSCRNGJ-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H]1C[C@@H](NCCOCCF)CC[N@@H+]1C ZINC000663460673 411662683 /nfs/dbraw/zinc/66/26/83/411662683.db2.gz CMFSLRZFOUERLC-QWRGUYRKSA-N 1 3 218.316 1.045 20 0 BDADHO C[C@H]1C[C@@H](NCCOCCF)CC[N@H+]1C ZINC000663460673 411662687 /nfs/dbraw/zinc/66/26/87/411662687.db2.gz CMFSLRZFOUERLC-QWRGUYRKSA-N 1 3 218.316 1.045 20 0 BDADHO C[C@H](CC1CCC1)[NH2+]CC12CC(C1)CN2 ZINC000663498367 411680910 /nfs/dbraw/zinc/68/09/10/411680910.db2.gz PGZIXGJBTRWQHE-QFWMXSHPSA-N 1 3 208.349 1.907 20 0 BDADHO COC[C@@H](C)C[NH2+]CC[C@@H](N)C(C)C ZINC000663502394 411685917 /nfs/dbraw/zinc/68/59/17/411685917.db2.gz HURKEYBUGSILET-WDEREUQCSA-N 1 3 202.342 1.232 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]C[C@H]1CCSC1 ZINC000663503019 411686930 /nfs/dbraw/zinc/68/69/30/411686930.db2.gz LXAFLYCXHWZZAI-GHMZBOCLSA-N 1 3 216.394 1.703 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)C1O ZINC000661620990 411820460 /nfs/dbraw/zinc/82/04/60/411820460.db2.gz CADKCMKRECINNT-JHJVBQTASA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H](C)C1O ZINC000661620990 411820464 /nfs/dbraw/zinc/82/04/64/411820464.db2.gz CADKCMKRECINNT-JHJVBQTASA-N 1 3 240.391 1.419 20 0 BDADHO CC[N@H+](C)C[C@H](O)CNC1(CC(C)C)CC1 ZINC000662065748 411965310 /nfs/dbraw/zinc/96/53/10/411965310.db2.gz AOGLZAZXASALLI-GFCCVEGCSA-N 1 3 228.380 1.467 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CNC1(CC(C)C)CC1 ZINC000662065748 411965315 /nfs/dbraw/zinc/96/53/15/411965315.db2.gz AOGLZAZXASALLI-GFCCVEGCSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152703 412009714 /nfs/dbraw/zinc/00/97/14/412009714.db2.gz XVSRAHBGBLTJPG-YPMHNXCESA-N 1 3 226.364 1.316 20 0 BDADHO CC[C@@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152703 412009719 /nfs/dbraw/zinc/00/97/19/412009719.db2.gz XVSRAHBGBLTJPG-YPMHNXCESA-N 1 3 226.364 1.316 20 0 BDADHO CC(C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000220027801 412024471 /nfs/dbraw/zinc/02/44/71/412024471.db2.gz PCAHBCAULKRMRF-UHFFFAOYSA-N 1 3 220.320 1.312 20 0 BDADHO CNC[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247551 412045375 /nfs/dbraw/zinc/04/53/75/412045375.db2.gz XICWIYNTAGLARJ-FVCCEPFGSA-N 1 3 208.349 1.574 20 0 BDADHO CNC[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247551 412045378 /nfs/dbraw/zinc/04/53/78/412045378.db2.gz XICWIYNTAGLARJ-FVCCEPFGSA-N 1 3 208.349 1.574 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249935 412046234 /nfs/dbraw/zinc/04/62/34/412046234.db2.gz VSCRIIWQYKSUEZ-FRRDWIJNSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249935 412046238 /nfs/dbraw/zinc/04/62/38/412046238.db2.gz VSCRIIWQYKSUEZ-FRRDWIJNSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249936 412046605 /nfs/dbraw/zinc/04/66/05/412046605.db2.gz VSCRIIWQYKSUEZ-JHJVBQTASA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251705 412048606 /nfs/dbraw/zinc/04/86/06/412048606.db2.gz IGNHEFBTNHVEDP-LBPRGKRZSA-N 1 3 224.348 1.380 20 0 BDADHO CC(C)[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251705 412048611 /nfs/dbraw/zinc/04/86/11/412048611.db2.gz IGNHEFBTNHVEDP-LBPRGKRZSA-N 1 3 224.348 1.380 20 0 BDADHO CCC[C@@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252098 412049527 /nfs/dbraw/zinc/04/95/27/412049527.db2.gz JTJNUTCGQPFBRA-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO CCC[C@@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252098 412049530 /nfs/dbraw/zinc/04/95/30/412049530.db2.gz JTJNUTCGQPFBRA-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO CC(C)[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251703 412049650 /nfs/dbraw/zinc/04/96/50/412049650.db2.gz IGNHEFBTNHVEDP-GFCCVEGCSA-N 1 3 224.348 1.380 20 0 BDADHO CC(C)[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251703 412049652 /nfs/dbraw/zinc/04/96/52/412049652.db2.gz IGNHEFBTNHVEDP-GFCCVEGCSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H](O)CCN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000662255726 412050803 /nfs/dbraw/zinc/05/08/03/412050803.db2.gz QZDDKVJPNCGIFC-LBPRGKRZSA-N 1 3 248.370 1.535 20 0 BDADHO CC(C)[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259141 412054238 /nfs/dbraw/zinc/05/42/38/412054238.db2.gz QUCPLVLMFXRJNR-CHWSQXEVSA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259141 412054241 /nfs/dbraw/zinc/05/42/41/412054241.db2.gz QUCPLVLMFXRJNR-CHWSQXEVSA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259142 412054992 /nfs/dbraw/zinc/05/49/92/412054992.db2.gz QUCPLVLMFXRJNR-OLZOCXBDSA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259142 412054993 /nfs/dbraw/zinc/05/49/93/412054993.db2.gz QUCPLVLMFXRJNR-OLZOCXBDSA-N 1 3 238.375 1.485 20 0 BDADHO CC[C@@H]1COCCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000233940233 171107049 /nfs/dbraw/zinc/10/70/49/171107049.db2.gz JJWPHLROIHTELN-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1nocc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274207 412064861 /nfs/dbraw/zinc/06/48/61/412064861.db2.gz SBVFFVZJEVTSNA-TXEJJXNPSA-N 1 3 235.331 1.414 20 0 BDADHO CC[C@@H]1C[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463407 171120432 /nfs/dbraw/zinc/12/04/32/171120432.db2.gz ZGVJIBLVZMDXFN-IGQOVBAYSA-N 1 3 238.375 1.343 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000375073874 171207087 /nfs/dbraw/zinc/20/70/87/171207087.db2.gz IFIQWJFOILQJCU-ZPFDUUQYSA-N 1 3 242.338 1.581 20 0 BDADHO c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)on1 ZINC000662294021 412081060 /nfs/dbraw/zinc/08/10/60/412081060.db2.gz AECUZBFCDHBZFG-ZDUSSCGKSA-N 1 3 249.358 1.886 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000237036113 171369576 /nfs/dbraw/zinc/36/95/76/171369576.db2.gz ZMMVEMSHDVWMIW-QJPTWQEYSA-N 1 3 243.395 1.192 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680204 171395493 /nfs/dbraw/zinc/39/54/93/171395493.db2.gz FYDBLLLSVHWVDL-TUAOUCFPSA-N 1 3 243.395 1.206 20 0 BDADHO [NH3+]CCOCCN1CC2CC1(c1ccccc1)C2 ZINC000662328196 412104987 /nfs/dbraw/zinc/10/49/87/412104987.db2.gz PFJZVBDJRFDOAO-UHFFFAOYSA-N 1 3 246.354 1.583 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H]1C[C@H](C)n2ncnc21 ZINC000665236056 412177177 /nfs/dbraw/zinc/17/71/77/412177177.db2.gz GJHFSNQFJQHFGD-VWYCJHECSA-N 1 3 237.351 1.391 20 0 BDADHO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000665236818 412177236 /nfs/dbraw/zinc/17/72/36/412177236.db2.gz VCMIFKSZCQVIIO-SRVKXCTJSA-N 1 3 225.380 1.329 20 0 BDADHO FCCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000665241471 412185200 /nfs/dbraw/zinc/18/52/00/412185200.db2.gz NLKILTPBWONLSC-WOPDTQHZSA-N 1 3 214.328 1.856 20 0 BDADHO CO[C@@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000665244512 412189097 /nfs/dbraw/zinc/18/90/97/412189097.db2.gz PILAFLIPZYKKBG-DCAQKATOSA-N 1 3 200.326 1.128 20 0 BDADHO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665244795 412189685 /nfs/dbraw/zinc/18/96/85/412189685.db2.gz WUDHIAGOWDTOOS-VHSXEESVSA-N 1 3 237.347 1.534 20 0 BDADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000665262021 412203712 /nfs/dbraw/zinc/20/37/12/412203712.db2.gz RMODRTXUJFMBFG-VHSXEESVSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CNC1 ZINC000665266405 412209399 /nfs/dbraw/zinc/20/93/99/412209399.db2.gz APRFLYKZKWSISD-SCZZXKLOSA-N 1 3 218.291 1.619 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2cc(N)ccc21 ZINC000665273387 412215557 /nfs/dbraw/zinc/21/55/57/412215557.db2.gz VSYMPGQZVBJLIM-RBZYPMLTSA-N 1 3 233.359 1.972 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000662422105 412162578 /nfs/dbraw/zinc/16/25/78/412162578.db2.gz NCJUIUGYCWSAER-BXKDBHETSA-N 1 3 235.331 1.643 20 0 BDADHO COC1CC(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665230007 412168670 /nfs/dbraw/zinc/16/86/70/412168670.db2.gz HKUHMYSVWBNLHQ-HPCMXSDISA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1=CCCC1 ZINC000665274877 412216659 /nfs/dbraw/zinc/21/66/59/412216659.db2.gz ZVRJHZYWNRTXNV-WCFLWFBJSA-N 1 3 224.348 1.439 20 0 BDADHO Cc1cncc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000665274484 412217432 /nfs/dbraw/zinc/21/74/32/412217432.db2.gz QYULAMWOQGFMAU-BXUZGUMPSA-N 1 3 248.374 1.305 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2N)C1 ZINC000665274142 412217550 /nfs/dbraw/zinc/21/75/50/412217550.db2.gz KPBKTTHBRUULMV-MJBXVCDLSA-N 1 3 239.407 1.720 20 0 BDADHO CCCN1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000665274611 412217932 /nfs/dbraw/zinc/21/79/32/412217932.db2.gz UKMZCXYTGMCUMS-YNEHKIRRSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000665280501 412218641 /nfs/dbraw/zinc/21/86/41/412218641.db2.gz DROAHIGQHAVFDQ-WCQYABFASA-N 1 3 228.380 1.765 20 0 BDADHO CO[C@H](CN[C@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275526 412219739 /nfs/dbraw/zinc/21/97/39/412219739.db2.gz MJOYAWJSWIAWCJ-ZWNOBZJWSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](C[NH2+][C@H](C)C1CNC1)C1CCCC1 ZINC000665275526 412219742 /nfs/dbraw/zinc/21/97/42/412219742.db2.gz MJOYAWJSWIAWCJ-ZWNOBZJWSA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665277941 412221047 /nfs/dbraw/zinc/22/10/47/412221047.db2.gz PYOYDBFKJIWMDY-QBHFIFKDSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277941 412221050 /nfs/dbraw/zinc/22/10/50/412221050.db2.gz PYOYDBFKJIWMDY-QBHFIFKDSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662565609 412221172 /nfs/dbraw/zinc/22/11/72/412221172.db2.gz DRDWNWMHKJRWAO-DGCLKSJQSA-N 1 3 247.342 1.075 20 0 BDADHO CC[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665277943 412221695 /nfs/dbraw/zinc/22/16/95/412221695.db2.gz PYOYDBFKJIWMDY-ZFQMDJOTSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277943 412221700 /nfs/dbraw/zinc/22/17/00/412221700.db2.gz PYOYDBFKJIWMDY-ZFQMDJOTSA-N 1 3 208.349 1.907 20 0 BDADHO COCC[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279824 412223102 /nfs/dbraw/zinc/22/31/02/412223102.db2.gz NBDNXCJTUQCTBT-CEUNDQEZSA-N 1 3 238.375 1.533 20 0 BDADHO COCC[C@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279824 412223105 /nfs/dbraw/zinc/22/31/05/412223105.db2.gz NBDNXCJTUQCTBT-CEUNDQEZSA-N 1 3 238.375 1.533 20 0 BDADHO CN(CC(C)(C)[NH3+])C(=O)c1cccc2c1CNC2 ZINC000662601157 412235075 /nfs/dbraw/zinc/23/50/75/412235075.db2.gz FMMHWZQNGCAKBY-UHFFFAOYSA-N 1 3 247.342 1.099 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](OC)C1 ZINC000665298482 412245754 /nfs/dbraw/zinc/24/57/54/412245754.db2.gz WWAGENOBAOBNPH-AXFHLTTASA-N 1 3 200.326 1.142 20 0 BDADHO FCCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665299981 412248412 /nfs/dbraw/zinc/24/84/12/412248412.db2.gz VWOKHWSEYUXEQJ-YNEHKIRRSA-N 1 3 244.354 1.483 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(CN)nc1C ZINC000665299507 412248629 /nfs/dbraw/zinc/24/86/29/412248629.db2.gz OKJTXLNRHCPACW-NXEZZACHSA-N 1 3 236.363 1.107 20 0 BDADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662845500 412319499 /nfs/dbraw/zinc/31/94/99/412319499.db2.gz SXOQHBKYERBFNM-PHIMTYICSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](NC)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000662782302 412300525 /nfs/dbraw/zinc/30/05/25/412300525.db2.gz IYQAMSAPHCIHMV-LBPRGKRZSA-N 1 3 235.331 1.343 20 0 BDADHO CCn1nccc1CN(C)CC1CC[NH2+]CC1 ZINC000160249394 172263855 /nfs/dbraw/zinc/26/38/55/172263855.db2.gz FPLDTUHYDVPDAW-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN(CCO)CC1CC1 ZINC000352492604 173003956 /nfs/dbraw/zinc/00/39/56/173003956.db2.gz ZZVPDMQRQXCCNK-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN(CCO)CC1CC1 ZINC000352492604 173003958 /nfs/dbraw/zinc/00/39/58/173003958.db2.gz ZZVPDMQRQXCCNK-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000368463267 173029263 /nfs/dbraw/zinc/02/92/63/173029263.db2.gz UAYBWNTVYIGULL-MGPQQGTHSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCO[C@@H]1C1CC1 ZINC000368463267 173029265 /nfs/dbraw/zinc/02/92/65/173029265.db2.gz UAYBWNTVYIGULL-MGPQQGTHSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCO[C@@H]1C1CC1 ZINC000368463267 173029266 /nfs/dbraw/zinc/02/92/66/173029266.db2.gz UAYBWNTVYIGULL-MGPQQGTHSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@@H+]1CCC[C@H](CNCCO)[C@H]1c1ccccc1 ZINC000367489443 173041451 /nfs/dbraw/zinc/04/14/51/173041451.db2.gz MHXURDUFSVWEGX-HUUCEWRRSA-N 1 3 248.370 1.651 20 0 BDADHO C[N@H+]1CCC[C@H](CNCCO)[C@H]1c1ccccc1 ZINC000367489443 173041454 /nfs/dbraw/zinc/04/14/54/173041454.db2.gz MHXURDUFSVWEGX-HUUCEWRRSA-N 1 3 248.370 1.651 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](CO)C1 ZINC000305635259 173051252 /nfs/dbraw/zinc/05/12/52/173051252.db2.gz GVXPOWVMAYHYKU-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](CO)C1 ZINC000305635259 173051253 /nfs/dbraw/zinc/05/12/53/173051253.db2.gz GVXPOWVMAYHYKU-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368606789 173153518 /nfs/dbraw/zinc/15/35/18/173153518.db2.gz FVVPJHFFGTVOPR-QLFBSQMISA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368606789 173153519 /nfs/dbraw/zinc/15/35/19/173153519.db2.gz FVVPJHFFGTVOPR-QLFBSQMISA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000368606789 173153520 /nfs/dbraw/zinc/15/35/20/173153520.db2.gz FVVPJHFFGTVOPR-QLFBSQMISA-N 1 3 247.386 1.988 20 0 BDADHO C[NH2+]CCC1CCN(Cc2cncn2C)CC1 ZINC000090168744 173342665 /nfs/dbraw/zinc/34/26/65/173342665.db2.gz JGUMERAVTZLTPU-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO COCC(C)(C)C[NH2+]CCCN1CCCC1 ZINC000309401742 174071485 /nfs/dbraw/zinc/07/14/85/174071485.db2.gz JDCJYJZJZXFLPF-UHFFFAOYSA-N 1 3 228.380 1.735 20 0 BDADHO C[C@@H](c1ccncc1)N1CCC(C[NH3+])CC1 ZINC000044511631 176036104 /nfs/dbraw/zinc/03/61/04/176036104.db2.gz BAUXKNZIPVQQKR-NSHDSACASA-N 1 3 219.332 1.813 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCOCCN(C)C)[C@H](C)C1 ZINC000300424990 176213439 /nfs/dbraw/zinc/21/34/39/176213439.db2.gz OOEVUCUEQCJXDK-MGPQQGTHSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCC1 ZINC000336783270 176279242 /nfs/dbraw/zinc/27/92/42/176279242.db2.gz ZYHNOMRDLOTUFT-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCC1 ZINC000336783270 176279243 /nfs/dbraw/zinc/27/92/43/176279243.db2.gz ZYHNOMRDLOTUFT-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251661605 176294043 /nfs/dbraw/zinc/29/40/43/176294043.db2.gz GWYJDDLMWLDDIN-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1COCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000336453311 176333405 /nfs/dbraw/zinc/33/34/05/176333405.db2.gz JMMOBBXRSYFFOS-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1COCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000336453311 176333406 /nfs/dbraw/zinc/33/34/06/176333406.db2.gz JMMOBBXRSYFFOS-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1C[C@@H](CN(C)Cc2cccnc2)CC[NH2+]1 ZINC000235379864 176367943 /nfs/dbraw/zinc/36/79/43/176367943.db2.gz ZRBXBSPSLCKLNR-OLZOCXBDSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](O)[C@H]1CCCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000336679958 177013794 /nfs/dbraw/zinc/01/37/94/177013794.db2.gz CHYPEJYCABLDJB-MELADBBJSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H](O)[C@H]1CCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000336679958 177013795 /nfs/dbraw/zinc/01/37/95/177013795.db2.gz CHYPEJYCABLDJB-MELADBBJSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H]1CCCCN1CCC[NH2+][C@@H]1CCOC1 ZINC000070963732 177075291 /nfs/dbraw/zinc/07/52/91/177075291.db2.gz ZWLAAUDIYCDONZ-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCN1CCNCC1 ZINC000037482553 177117399 /nfs/dbraw/zinc/11/73/99/177117399.db2.gz VNNOEILARNRWPI-BETUJISGSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN1CCNCC1 ZINC000037482553 177117400 /nfs/dbraw/zinc/11/74/00/177117400.db2.gz VNNOEILARNRWPI-BETUJISGSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@@H]1CN(CCCCCC[NH3+])C[C@H](C)O1 ZINC000020071750 177247629 /nfs/dbraw/zinc/24/76/29/177247629.db2.gz IVZFQBOMOAPJIM-TXEJJXNPSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@H]1C[C@@H](NCC2=CCCOC2)CC[N@@H+]1C ZINC000309660043 177331551 /nfs/dbraw/zinc/33/15/51/177331551.db2.gz ASCXPOCDAAOIFU-AAEUAGOBSA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H]1C[C@@H](NCC2=CCCOC2)CC[N@H+]1C ZINC000309660043 177331553 /nfs/dbraw/zinc/33/15/53/177331553.db2.gz ASCXPOCDAAOIFU-AAEUAGOBSA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H]1C[C@H](NCCC[NH3+])CN1Cc1ccccc1 ZINC000309960589 177369555 /nfs/dbraw/zinc/36/95/55/177369555.db2.gz YEJDTUDZWWPDOO-ZFWWWQNUSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400736120 226350897 /nfs/dbraw/zinc/35/08/97/226350897.db2.gz RSVWBQZQMZQGIB-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401949919 226363752 /nfs/dbraw/zinc/36/37/52/226363752.db2.gz YWAVXOOYEDKBQV-HZSPNIEDSA-N 1 3 240.391 1.910 20 0 BDADHO CCOCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397307857 262744180 /nfs/dbraw/zinc/74/41/80/262744180.db2.gz HTLFHJKDZMOTFV-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H](NC(C)(C)C[NH3+])C1 ZINC001172584985 974891120 /nfs/dbraw/zinc/89/11/20/974891120.db2.gz DCHRDWMIUZPGFA-VHSXEESVSA-N 1 3 228.336 1.045 20 0 BDADHO CC[C@H]1C[C@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000234053318 487758948 /nfs/dbraw/zinc/75/89/48/487758948.db2.gz QUUVMAAYDLIMHN-OLZOCXBDSA-N 1 3 244.379 1.112 20 0 BDADHO CC[C@](C)(C[NH2+]CCCN1CCCC1)OC ZINC000234097621 487761004 /nfs/dbraw/zinc/76/10/04/487761004.db2.gz XHVYJCUEJOGBHK-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CC[C@](C)(CNCCC[NH+]1CCCC1)OC ZINC000234097621 487761010 /nfs/dbraw/zinc/76/10/10/487761010.db2.gz XHVYJCUEJOGBHK-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO C[C@@H]1CCN(CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000414709014 487818868 /nfs/dbraw/zinc/81/88/68/487818868.db2.gz OKPLVPBWFGQAKQ-NEPJUHHUSA-N 1 3 222.336 1.115 20 0 BDADHO [NH3+]CCCN1CC[C@H](COc2ccccc2)C1 ZINC000414711133 487819251 /nfs/dbraw/zinc/81/92/51/487819251.db2.gz MAPFHOGOAIQGNC-ZDUSSCGKSA-N 1 3 234.343 1.736 20 0 BDADHO COCC[N@H+](CCCN)[C@H]1CC[C@@H](C)C1 ZINC000414752508 487821113 /nfs/dbraw/zinc/82/11/13/487821113.db2.gz KXMDRLQLZPTDEV-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COCC[N@@H+](CCCN)[C@H]1CC[C@@H](C)C1 ZINC000414752508 487821115 /nfs/dbraw/zinc/82/11/15/487821115.db2.gz KXMDRLQLZPTDEV-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)CNC1CC1 ZINC000153908404 487828359 /nfs/dbraw/zinc/82/83/59/487828359.db2.gz XEOJLQLJIDOQBW-UHFFFAOYSA-N 1 3 233.315 1.097 20 0 BDADHO [NH3+]CCCNCCc1cc2ccccc2o1 ZINC000415091221 487837289 /nfs/dbraw/zinc/83/72/89/487837289.db2.gz PZEMOXKIHGHLQO-UHFFFAOYSA-N 1 3 218.300 1.914 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOCc2ccccc2)C1 ZINC000309912010 487847457 /nfs/dbraw/zinc/84/74/57/487847457.db2.gz SEDOYZFCQPYMML-UKRRQHHQSA-N 1 3 248.370 1.872 20 0 BDADHO COC[C@@H](C)CNC[C@@H]1CCCC[NH2+]1 ZINC000234669493 487850445 /nfs/dbraw/zinc/85/04/45/487850445.db2.gz OAGRMNYCUIQDQG-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000564456834 322957024 /nfs/dbraw/zinc/95/70/24/322957024.db2.gz ZSGTVUCMWVWNBK-ZJUUUORDSA-N 1 3 247.342 1.145 20 0 BDADHO CC(C)([NH3+])CNC[C@H]1CCOc2ccccc21 ZINC000666751859 487871692 /nfs/dbraw/zinc/87/16/92/487871692.db2.gz IYOIYHJCARVHFH-LLVKDONJSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@H](CC1CCOCC1)NC[C@H]1CCCC[NH2+]1 ZINC000666769851 487875749 /nfs/dbraw/zinc/87/57/49/487875749.db2.gz FZNVVLUHNQAEPH-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)n1cc(CN[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000666951993 487890220 /nfs/dbraw/zinc/89/02/20/487890220.db2.gz BFCSWFZDJVCGHP-ZDUSSCGKSA-N 1 3 248.374 1.696 20 0 BDADHO COC[C@@H](CC(C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000666857866 487891753 /nfs/dbraw/zinc/89/17/53/487891753.db2.gz NFVFPDYZGKXZTR-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+][C@@H]1CCCNCC1 ZINC000666857866 487891759 /nfs/dbraw/zinc/89/17/59/487891759.db2.gz NFVFPDYZGKXZTR-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@@H](CC(C)C)N[C@H]1CCC[NH2+]CC1 ZINC000666857868 487891972 /nfs/dbraw/zinc/89/19/72/487891972.db2.gz NFVFPDYZGKXZTR-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+][C@H]1CCCNCC1 ZINC000666857868 487891976 /nfs/dbraw/zinc/89/19/76/487891976.db2.gz NFVFPDYZGKXZTR-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H]1CN(CCCCOC)CC[C@@H]1[NH3+] ZINC000164774529 487894878 /nfs/dbraw/zinc/89/48/78/487894878.db2.gz VWBGBWSKSPZLEW-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993844 487902040 /nfs/dbraw/zinc/90/20/40/487902040.db2.gz NXTKYPWVADBOKJ-UTUOFQBUSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)[C@@H]1CCN ZINC000404296084 487917362 /nfs/dbraw/zinc/91/73/62/487917362.db2.gz DAKVIQLEJWDDIF-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)[C@@H]1CCN ZINC000404296084 487917367 /nfs/dbraw/zinc/91/73/67/487917367.db2.gz DAKVIQLEJWDDIF-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO FC1(F)C[C@@]12CCN(C[C@H]1CC[NH2+]C1)C2 ZINC000652364256 487933370 /nfs/dbraw/zinc/93/33/70/487933370.db2.gz BMYWDYSCIZAHLC-VHSXEESVSA-N 1 3 216.275 1.327 20 0 BDADHO COCC[NH2+]C1CCN(C[C@@H]2C[C@H]2C)CC1 ZINC000565060445 323009413 /nfs/dbraw/zinc/00/94/13/323009413.db2.gz JHQKIPMFVMBBNH-NEPJUHHUSA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000130525801 323011380 /nfs/dbraw/zinc/01/13/80/323011380.db2.gz GLCSOLLWJFDPDN-MNOVXSKESA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H]([NH2+]CCCNC(C)C)[C@H]1CCOC1 ZINC000570562027 323063152 /nfs/dbraw/zinc/06/31/52/323063152.db2.gz HDLXEQIRPWFMDR-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO Cn1cc(C[C@H]2CC[N@H+](CC(C)(C)N)C2)cn1 ZINC000563137705 323094740 /nfs/dbraw/zinc/09/47/40/323094740.db2.gz JGTAOEAJDGXJQL-LLVKDONJSA-N 1 3 236.363 1.022 20 0 BDADHO Cn1cc(C[C@H]2CC[N@@H+](CC(C)(C)N)C2)cn1 ZINC000563137705 323094741 /nfs/dbraw/zinc/09/47/41/323094741.db2.gz JGTAOEAJDGXJQL-LLVKDONJSA-N 1 3 236.363 1.022 20 0 BDADHO [NH3+]Cc1ccc(CNCC2(F)CC2)cc1 ZINC000563136362 323094949 /nfs/dbraw/zinc/09/49/49/323094949.db2.gz ZMKSSIGLOYCUMM-UHFFFAOYSA-N 1 3 208.280 1.737 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)[C@@H](C)O1 ZINC000563423635 323124192 /nfs/dbraw/zinc/12/41/92/323124192.db2.gz HRXLUPGPCDOHRH-SYLRKERUSA-N 1 3 226.364 1.659 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249499551 323139208 /nfs/dbraw/zinc/13/92/08/323139208.db2.gz HIODOOAIRIBOFF-HZSPNIEDSA-N 1 3 240.391 1.685 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000249499551 323139209 /nfs/dbraw/zinc/13/92/09/323139209.db2.gz HIODOOAIRIBOFF-HZSPNIEDSA-N 1 3 240.391 1.685 20 0 BDADHO CC[NH2+]CCCN[C@@H](Cn1cccn1)C(C)C ZINC000571394711 323143280 /nfs/dbraw/zinc/14/32/80/323143280.db2.gz FDIUDNZICZAEKH-ZDUSSCGKSA-N 1 3 238.379 1.497 20 0 BDADHO CCNC(=O)C(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571417977 323144508 /nfs/dbraw/zinc/14/45/08/323144508.db2.gz QFJBDVOSNPIHJK-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000571417977 323144509 /nfs/dbraw/zinc/14/45/09/323144509.db2.gz QFJBDVOSNPIHJK-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000571582002 323148588 /nfs/dbraw/zinc/14/85/88/323148588.db2.gz WRGTWFGPFRXIJT-UTUOFQBUSA-N 1 3 234.347 1.127 20 0 BDADHO COCCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395097695 323186990 /nfs/dbraw/zinc/18/69/90/323186990.db2.gz DEVKSNYPDQHABM-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO COCCC1CCN([C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000530209403 323209506 /nfs/dbraw/zinc/20/95/06/323209506.db2.gz HENUZDRJAUKZOO-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](C)C[NH2+]CCCN1CCC(C)CC1 ZINC000131706542 325178361 /nfs/dbraw/zinc/17/83/61/325178361.db2.gz UOPHLHYNWZKKSW-CQSZACIVSA-N 1 3 242.407 1.981 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCN(CCCCCO)C1 ZINC000076001868 325325207 /nfs/dbraw/zinc/32/52/07/325325207.db2.gz DALDWTXIWOPNBS-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000076001868 325325208 /nfs/dbraw/zinc/32/52/08/325325208.db2.gz DALDWTXIWOPNBS-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCCCO)C1 ZINC000076001868 325325210 /nfs/dbraw/zinc/32/52/10/325325210.db2.gz DALDWTXIWOPNBS-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CC[C@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253037925 325704714 /nfs/dbraw/zinc/70/47/14/325704714.db2.gz YSYJIDAWXDDHMJ-UPJWGTAASA-N 1 3 228.380 1.658 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000153368096 325951466 /nfs/dbraw/zinc/95/14/66/325951466.db2.gz QQNJMUDWKSOCLK-QWHCGFSZSA-N 1 3 228.380 1.590 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000566974498 326098773 /nfs/dbraw/zinc/09/87/73/326098773.db2.gz XNLITMPBEPYYEI-XHVZSJERSA-N 1 3 249.358 1.677 20 0 BDADHO CC[C@@](C)(O)CNC1CC[NH+](CC2CC2)CC1 ZINC000154490648 326146461 /nfs/dbraw/zinc/14/64/61/326146461.db2.gz PRLLKWRBMBJHGJ-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000567682913 326243903 /nfs/dbraw/zinc/24/39/03/326243903.db2.gz BQSCRYZPEBQRGV-XQQFMLRXSA-N 1 3 242.407 1.856 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)C(C)(C)C)C1 ZINC000567682913 326243904 /nfs/dbraw/zinc/24/39/04/326243904.db2.gz BQSCRYZPEBQRGV-XQQFMLRXSA-N 1 3 242.407 1.856 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000567682912 326243984 /nfs/dbraw/zinc/24/39/84/326243984.db2.gz BQSCRYZPEBQRGV-UPJWGTAASA-N 1 3 242.407 1.856 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)C(C)(C)C)C1 ZINC000567682912 326243986 /nfs/dbraw/zinc/24/39/86/326243986.db2.gz BQSCRYZPEBQRGV-UPJWGTAASA-N 1 3 242.407 1.856 20 0 BDADHO Cn1ccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000158468435 326323528 /nfs/dbraw/zinc/32/35/28/326323528.db2.gz IPGZYRUQJSJYLS-UHFFFAOYSA-N 1 3 247.386 1.989 20 0 BDADHO O[C@@H](CNC1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000568243314 326333286 /nfs/dbraw/zinc/33/32/86/326333286.db2.gz UZWFWASSZJKQDG-AWEZNQCLSA-N 1 3 238.375 1.221 20 0 BDADHO COC[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960332 487996641 /nfs/dbraw/zinc/99/66/41/487996641.db2.gz SBDSQIRIQGBUIO-LBPRGKRZSA-N 1 3 249.358 1.675 20 0 BDADHO CCC[C@@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000229954897 488009747 /nfs/dbraw/zinc/00/97/47/488009747.db2.gz SERSEIJLUBHFBZ-LLVKDONJSA-N 1 3 237.351 1.174 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121084206 490074292 /nfs/dbraw/zinc/07/42/92/490074292.db2.gz YPUQHCICHQSSRA-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121084206 490074299 /nfs/dbraw/zinc/07/42/99/490074299.db2.gz YPUQHCICHQSSRA-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO Cc1cccc(OCCNCCC[NH3+])c1 ZINC000135298804 488024014 /nfs/dbraw/zinc/02/40/14/488024014.db2.gz QQKVJOPACWUGDX-UHFFFAOYSA-N 1 3 208.305 1.312 20 0 BDADHO O[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717717 488024980 /nfs/dbraw/zinc/02/49/80/488024980.db2.gz YNKOETKRZPBNII-MELADBBJSA-N 1 3 238.375 1.079 20 0 BDADHO O[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000682717719 488025486 /nfs/dbraw/zinc/02/54/86/488025486.db2.gz YNKOETKRZPBNII-MJBXVCDLSA-N 1 3 238.375 1.079 20 0 BDADHO CNC[C@@H](C)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000663510143 488055234 /nfs/dbraw/zinc/05/52/34/488055234.db2.gz CJQGLKYOBPNFMQ-VXGBXAGGSA-N 1 3 238.379 1.593 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200679 488067173 /nfs/dbraw/zinc/06/71/73/488067173.db2.gz UFRNJRBXXMIVRV-KQSJRHEJSA-N 1 3 210.321 1.166 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121084361 490074715 /nfs/dbraw/zinc/07/47/15/490074715.db2.gz YPUQHCICHQSSRA-CHWSQXEVSA-N 1 3 228.380 1.279 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121084361 490074717 /nfs/dbraw/zinc/07/47/17/490074717.db2.gz YPUQHCICHQSSRA-CHWSQXEVSA-N 1 3 228.380 1.279 20 0 BDADHO CCO[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000677603301 488083892 /nfs/dbraw/zinc/08/38/92/488083892.db2.gz YMVWZCYQOGVULW-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CCO[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000677603301 488083896 /nfs/dbraw/zinc/08/38/96/488083896.db2.gz YMVWZCYQOGVULW-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CCCN1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000389253513 488085344 /nfs/dbraw/zinc/08/53/44/488085344.db2.gz NEFRJFHHLQVUGP-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000669509259 488108845 /nfs/dbraw/zinc/10/88/45/488108845.db2.gz VWNSTDKCOCIONG-GXFFZTMASA-N 1 3 247.342 1.343 20 0 BDADHO C[C@@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]C1 ZINC000669508307 488108892 /nfs/dbraw/zinc/10/88/92/488108892.db2.gz CJVQFFRZLPCBRG-CQSZACIVSA-N 1 3 247.342 1.474 20 0 BDADHO C[NH+](C)CCCN[C@H]1CO[C@H](C2CC2)C1 ZINC000667763018 488111790 /nfs/dbraw/zinc/11/17/90/488111790.db2.gz NONSFHHGHDUNGE-NEPJUHHUSA-N 1 3 212.337 1.095 20 0 BDADHO C[NH+]1CCC(CNCc2cnn3c2CCC3)CC1 ZINC000657348807 488115436 /nfs/dbraw/zinc/11/54/36/488115436.db2.gz IEHSMRQJWCMSNW-UHFFFAOYSA-N 1 3 248.374 1.261 20 0 BDADHO C[C@@H]([NH3+])CNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000669517793 488129709 /nfs/dbraw/zinc/12/97/09/488129709.db2.gz WQCRGEKWSPGXHX-ZYHUDNBSSA-N 1 3 249.358 1.176 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)C1CC1 ZINC000381031930 487493101 /nfs/dbraw/zinc/49/31/01/487493101.db2.gz DMAPIFOYUSIELJ-WCQYABFASA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)C1CC1 ZINC000381031930 487493103 /nfs/dbraw/zinc/49/31/03/487493103.db2.gz DMAPIFOYUSIELJ-WCQYABFASA-N 1 3 228.380 1.418 20 0 BDADHO CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC1 ZINC000381263024 487502091 /nfs/dbraw/zinc/50/20/91/487502091.db2.gz SNEJTKOHDDLKBO-AAEUAGOBSA-N 1 3 208.349 1.847 20 0 BDADHO CC1(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CC1 ZINC000381263024 487502094 /nfs/dbraw/zinc/50/20/94/487502094.db2.gz SNEJTKOHDDLKBO-AAEUAGOBSA-N 1 3 208.349 1.847 20 0 BDADHO c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CCCNCC1 ZINC000161788736 487519600 /nfs/dbraw/zinc/51/96/00/487519600.db2.gz VLPXINSQQWTUIL-ZDUSSCGKSA-N 1 3 246.354 1.848 20 0 BDADHO c1ccc2c(c1)OCC[C@H]2C[N@H+]1CCCNCC1 ZINC000161788736 487519601 /nfs/dbraw/zinc/51/96/01/487519601.db2.gz VLPXINSQQWTUIL-ZDUSSCGKSA-N 1 3 246.354 1.848 20 0 BDADHO C[C@H](O)CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000666128657 487525053 /nfs/dbraw/zinc/52/50/53/487525053.db2.gz SXTZWCJYUFAAKD-AVGNSLFASA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](O)C[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000666128657 487525057 /nfs/dbraw/zinc/52/50/57/487525057.db2.gz SXTZWCJYUFAAKD-AVGNSLFASA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@H](C)N(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000379855764 488155075 /nfs/dbraw/zinc/15/50/75/488155075.db2.gz BZDFGLUQKGDQFI-NWDGAFQWSA-N 1 3 216.369 1.418 20 0 BDADHO CC[C@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000379855764 488155081 /nfs/dbraw/zinc/15/50/81/488155081.db2.gz BZDFGLUQKGDQFI-NWDGAFQWSA-N 1 3 216.369 1.418 20 0 BDADHO CC[C@@H]1CN(CCCCOC)CC[C@@H]1[NH3+] ZINC000164774424 487894816 /nfs/dbraw/zinc/89/48/16/487894816.db2.gz VWBGBWSKSPZLEW-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO c1ccc2c(c1)CC(CN1C[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000685838990 488120088 /nfs/dbraw/zinc/12/00/88/488120088.db2.gz ASISRXREQPOWSB-IYBDPMFKSA-N 1 3 242.366 1.553 20 0 BDADHO c1ccc2c(c1)CC(CN1C[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000685838989 488120171 /nfs/dbraw/zinc/12/01/71/488120171.db2.gz ASISRXREQPOWSB-HZPDHXFCSA-N 1 3 242.366 1.553 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657859296 488152621 /nfs/dbraw/zinc/15/26/21/488152621.db2.gz RYOCUQNBYTZTMP-VXGBXAGGSA-N 1 3 236.363 1.648 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCCC[C@@H]1CCN ZINC000230774776 488156991 /nfs/dbraw/zinc/15/69/91/488156991.db2.gz VBUJJZMMPFOMBU-CYBMUJFWSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1nccc1CC[N@H+]1CCCC[C@@H]1CCN ZINC000230774776 488156995 /nfs/dbraw/zinc/15/69/95/488156995.db2.gz VBUJJZMMPFOMBU-CYBMUJFWSA-N 1 3 236.363 1.166 20 0 BDADHO C(C[NH2+][C@H]1CO[C@@H](C2CC2)C1)CN1CCCC1 ZINC000667928102 488161281 /nfs/dbraw/zinc/16/12/81/488161281.db2.gz PEJSEYYIJIILQW-ZIAGYGMSSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@H]1CO[C@@H](C2CC2)C1)C[NH+]1CCCC1 ZINC000667928102 488161283 /nfs/dbraw/zinc/16/12/83/488161283.db2.gz PEJSEYYIJIILQW-ZIAGYGMSSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCCOC1 ZINC000070013911 490197995 /nfs/dbraw/zinc/19/79/95/490197995.db2.gz BLHXSDUUCNGIBC-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@H](NCC1([NH3+])CCCC1)C1CC1 ZINC000397996580 490562995 /nfs/dbraw/zinc/56/29/95/490562995.db2.gz CBBVIVFFAQRAPF-NSHDSACASA-N 1 3 212.337 1.273 20 0 BDADHO COC[C@H]([NH2+]CC1(N)CCCC1)C1CC1 ZINC000397996580 490562993 /nfs/dbraw/zinc/56/29/93/490562993.db2.gz CBBVIVFFAQRAPF-NSHDSACASA-N 1 3 212.337 1.273 20 0 BDADHO CN1CC[C@@H](C[N@H+](C)Cc2ccc(O)cc2)C1 ZINC000131445986 490639043 /nfs/dbraw/zinc/63/90/43/490639043.db2.gz LWENVPRZQFWQFT-CYBMUJFWSA-N 1 3 234.343 1.776 20 0 BDADHO CN1CC[C@@H](C[N@@H+](C)Cc2ccc(O)cc2)C1 ZINC000131445986 490639048 /nfs/dbraw/zinc/63/90/48/490639048.db2.gz LWENVPRZQFWQFT-CYBMUJFWSA-N 1 3 234.343 1.776 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@H]1CCCCO1 ZINC000216164780 491052791 /nfs/dbraw/zinc/05/27/91/491052791.db2.gz HLSTXJOTOCQHAY-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000216164780 491052792 /nfs/dbraw/zinc/05/27/92/491052792.db2.gz HLSTXJOTOCQHAY-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CCCCO1 ZINC000216164780 491052794 /nfs/dbraw/zinc/05/27/94/491052794.db2.gz HLSTXJOTOCQHAY-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO CN(C)[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000091392366 491071695 /nfs/dbraw/zinc/07/16/95/491071695.db2.gz BPGMOQRKWUGNCM-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000488426593 533727106 /nfs/dbraw/zinc/72/71/06/533727106.db2.gz WKEKIPQJCYZESO-CHWSQXEVSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000488426594 534029226 /nfs/dbraw/zinc/02/92/26/534029226.db2.gz WKEKIPQJCYZESO-OLZOCXBDSA-N 1 3 239.407 1.258 20 0 BDADHO Cc1ccc(CN[C@@H](C)CCCC[NH3+])nc1 ZINC000400834679 534077666 /nfs/dbraw/zinc/07/76/66/534077666.db2.gz SDXFUNOAIVMBPS-LBPRGKRZSA-N 1 3 221.348 1.997 20 0 BDADHO CC[C@@H]1COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000084384875 535834693 /nfs/dbraw/zinc/83/46/93/535834693.db2.gz FZLHEQWEBGRSAA-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CN1CCC(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000892114656 582795025 /nfs/dbraw/zinc/79/50/25/582795025.db2.gz PXUBCPGLBJKNRM-BETUJISGSA-N 1 3 222.376 1.916 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000892114656 582795028 /nfs/dbraw/zinc/79/50/28/582795028.db2.gz PXUBCPGLBJKNRM-BETUJISGSA-N 1 3 222.376 1.916 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000249107072 534958906 /nfs/dbraw/zinc/95/89/06/534958906.db2.gz PTBSYXJZTINQMW-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000249107075 534959090 /nfs/dbraw/zinc/95/90/90/534959090.db2.gz PTBSYXJZTINQMW-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000223024797 535004554 /nfs/dbraw/zinc/00/45/54/535004554.db2.gz SWPBKKKDAUYUAN-STQMWFEESA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)(N)C[NH2+]Cc1ccccc1-n1cccn1 ZINC000261571101 535208952 /nfs/dbraw/zinc/20/89/52/535208952.db2.gz KVLWWSXEAOFGHL-UHFFFAOYSA-N 1 3 244.342 1.699 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000261531932 535285006 /nfs/dbraw/zinc/28/50/06/535285006.db2.gz IKOGPMJAVXBCEB-GRYCIOLGSA-N 1 3 214.353 1.110 20 0 BDADHO CCN(CC)CCN[C@H]1CCC[NH2+]CC1 ZINC000168699237 535540404 /nfs/dbraw/zinc/54/04/04/535540404.db2.gz DBDCUPYGPJHMMJ-LBPRGKRZSA-N 1 3 213.369 1.060 20 0 BDADHO CCOC1CC(NCCC[N@H+](C)C(C)C)C1 ZINC000224371649 535760522 /nfs/dbraw/zinc/76/05/22/535760522.db2.gz RINMCPXHAWAXAH-UHFFFAOYSA-N 1 3 228.380 1.874 20 0 BDADHO CCOC1CC(NCCC[N@@H+](C)C(C)C)C1 ZINC000224371649 535760526 /nfs/dbraw/zinc/76/05/26/535760526.db2.gz RINMCPXHAWAXAH-UHFFFAOYSA-N 1 3 228.380 1.874 20 0 BDADHO CCOC1CC([NH2+]CCCN(C)C(C)C)C1 ZINC000224371649 535760529 /nfs/dbraw/zinc/76/05/29/535760529.db2.gz RINMCPXHAWAXAH-UHFFFAOYSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)CCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000393791932 582925407 /nfs/dbraw/zinc/92/54/07/582925407.db2.gz ZZPSMZAQNSVCJR-ZDUSSCGKSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)CCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000393791932 582925408 /nfs/dbraw/zinc/92/54/08/582925408.db2.gz ZZPSMZAQNSVCJR-ZDUSSCGKSA-N 1 3 228.380 1.419 20 0 BDADHO CCc1cc(N2CCN3CCC2CC3)cc[nH+]1 ZINC000336196005 536146269 /nfs/dbraw/zinc/14/62/69/536146269.db2.gz KMENFPSFILYYTM-UHFFFAOYSA-N 1 3 231.343 1.928 20 0 BDADHO C[NH2+][C@@H](C)Cc1noc(C2CCN(C)CC2)n1 ZINC000258049337 536348173 /nfs/dbraw/zinc/34/81/73/536348173.db2.gz OYWAJTXTVAWUOV-VIFPVBQESA-N 1 3 238.335 1.029 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000217611701 536357387 /nfs/dbraw/zinc/35/73/87/536357387.db2.gz XTWZNTCZGIEMQK-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000217611701 536357389 /nfs/dbraw/zinc/35/73/89/536357389.db2.gz XTWZNTCZGIEMQK-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO COC1(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCC1 ZINC000335691842 536631142 /nfs/dbraw/zinc/63/11/42/536631142.db2.gz RXBDMHUIGRKBKH-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO COC1(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCC1 ZINC000335691842 536631152 /nfs/dbraw/zinc/63/11/52/536631152.db2.gz RXBDMHUIGRKBKH-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO COCC[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000226430076 536768125 /nfs/dbraw/zinc/76/81/25/536768125.db2.gz CNELLXXHFDQRMY-VXGBXAGGSA-N 1 3 216.369 1.717 20 0 BDADHO CO[C@H]1C[C@H]([NH2+]C2CCNCC2)C1(C)C ZINC000261531114 536827230 /nfs/dbraw/zinc/82/72/30/536827230.db2.gz FFZFFMTUGSFDRL-QWRGUYRKSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1C[C@H](NC2CC[NH2+]CC2)C1(C)C ZINC000261531114 536827235 /nfs/dbraw/zinc/82/72/35/536827235.db2.gz FFZFFMTUGSFDRL-QWRGUYRKSA-N 1 3 212.337 1.142 20 0 BDADHO COCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960317 536893213 /nfs/dbraw/zinc/89/32/13/536893213.db2.gz CGSVVMIABHKGEH-UHFFFAOYSA-N 1 3 235.331 1.286 20 0 BDADHO C[C@@H]1C[N@H+](CCC2SCCS2)C[C@H]1N ZINC000853023036 588716400 /nfs/dbraw/zinc/71/64/00/588716400.db2.gz KWKQQTNKKJFYRS-RKDXNWHRSA-N 1 3 232.418 1.462 20 0 BDADHO C[C@@H]1C[N@@H+](CCC2SCCS2)C[C@H]1N ZINC000853023036 588716401 /nfs/dbraw/zinc/71/64/01/588716401.db2.gz KWKQQTNKKJFYRS-RKDXNWHRSA-N 1 3 232.418 1.462 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCC2SCCS2)C1 ZINC000853023509 588716676 /nfs/dbraw/zinc/71/66/76/588716676.db2.gz ZLVOGPLFGFRQJP-UWVGGRQHSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@@H+]1CCC1SCCS1 ZINC000853023048 588716737 /nfs/dbraw/zinc/71/67/37/588716737.db2.gz LHIBVBODBRJIKP-IUCAKERBSA-N 1 3 232.418 1.604 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@H+]1CCC1SCCS1 ZINC000853023048 588716738 /nfs/dbraw/zinc/71/67/38/588716738.db2.gz LHIBVBODBRJIKP-IUCAKERBSA-N 1 3 232.418 1.604 20 0 BDADHO C([NH2+][C@H]1CCC12CCOCC2)C12CC(C1)CN2 ZINC000854227096 588780542 /nfs/dbraw/zinc/78/05/42/588780542.db2.gz LQXAKCYFTIMDFQ-LXVYMNJGSA-N 1 3 236.359 1.287 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229193 588780783 /nfs/dbraw/zinc/78/07/83/588780783.db2.gz HWPZYAMKABKDCO-MMWGEVLESA-N 1 3 246.301 1.270 20 0 BDADHO Cc1cc(C[NH2+][C@H](C)CCN(C)C)cnc1F ZINC000892762495 582977490 /nfs/dbraw/zinc/97/74/90/582977490.db2.gz AOSPPAGFPVOVIB-LLVKDONJSA-N 1 3 239.338 1.959 20 0 BDADHO C[C@@H](C[NH+](C)C)Nc1cc(N)ncc1Cl ZINC000893859569 583233497 /nfs/dbraw/zinc/23/34/97/583233497.db2.gz XVVRKTQRLWALLZ-ZETCQYMHSA-N 1 3 228.727 1.679 20 0 BDADHO C[C@H]1CN(CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000726844444 583378422 /nfs/dbraw/zinc/37/84/22/583378422.db2.gz PXRJMFMZVWLUNT-RYUDHWBXSA-N 1 3 226.364 1.437 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CCCOC1)C2 ZINC000857226503 588895818 /nfs/dbraw/zinc/89/58/18/588895818.db2.gz QDDMBJULAAGOHI-UPJWGTAASA-N 1 3 224.348 1.226 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCCCCCO ZINC000300836784 583463577 /nfs/dbraw/zinc/46/35/77/583463577.db2.gz LHVORABGDHDQAI-LBPRGKRZSA-N 1 3 228.380 1.517 20 0 BDADHO COC[C@@H]1CC[N@@H+]1CC1CCN(C)CC1 ZINC000894613425 583494565 /nfs/dbraw/zinc/49/45/65/583494565.db2.gz XKKIZGRUAVGKPH-LBPRGKRZSA-N 1 3 212.337 1.049 20 0 BDADHO COC[C@@H]1CC[N@H+]1CC1CCN(C)CC1 ZINC000894613425 583494567 /nfs/dbraw/zinc/49/45/67/583494567.db2.gz XKKIZGRUAVGKPH-LBPRGKRZSA-N 1 3 212.337 1.049 20 0 BDADHO CCn1ccc(CNCC2CC[NH+](C)CC2)n1 ZINC000894893920 583549142 /nfs/dbraw/zinc/54/91/42/583549142.db2.gz JZKPWJMWGOCESF-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO C[NH+]1CCC(CN2CCC[C@H](F)C2)CC1 ZINC000895191638 583621919 /nfs/dbraw/zinc/62/19/19/583621919.db2.gz QOSSLVUZUYBOML-LBPRGKRZSA-N 1 3 214.328 1.762 20 0 BDADHO CS[C@@H]1CC[C@H]1[NH2+]CC[C@@H](C)N(C)C ZINC000895291371 583636971 /nfs/dbraw/zinc/63/69/71/583636971.db2.gz FAJPIINLFCTBEI-GMTAPVOTSA-N 1 3 216.394 1.810 20 0 BDADHO CS[C@@H]1CC[C@H]1NCC[C@@H](C)[NH+](C)C ZINC000895291371 583636972 /nfs/dbraw/zinc/63/69/72/583636972.db2.gz FAJPIINLFCTBEI-GMTAPVOTSA-N 1 3 216.394 1.810 20 0 BDADHO CO[C@](C)(CNCC[C@H](C)[NH+](C)C)C1CC1 ZINC000895294375 583638289 /nfs/dbraw/zinc/63/82/89/583638289.db2.gz VIUFPBICDPYMDD-WCQYABFASA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H](CC[NH2+]C1CC2(C1)CO[C@H](C)C2)N(C)C ZINC000895429264 583669130 /nfs/dbraw/zinc/66/91/30/583669130.db2.gz LZWXOCKJHHMGEE-MRFVTOPCSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000895443772 583674456 /nfs/dbraw/zinc/67/44/56/583674456.db2.gz YWTPBTDLEMMIAE-WAAKLRNESA-N 1 3 224.348 1.115 20 0 BDADHO C[C@@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000895443772 583674457 /nfs/dbraw/zinc/67/44/57/583674457.db2.gz YWTPBTDLEMMIAE-WAAKLRNESA-N 1 3 224.348 1.115 20 0 BDADHO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(N)n1 ZINC000730107126 584123716 /nfs/dbraw/zinc/12/37/16/584123716.db2.gz XOVRTPXODSJANC-SNVBAGLBSA-N 1 3 235.335 1.119 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCc2ccccn2)C1 ZINC000902319968 584552434 /nfs/dbraw/zinc/55/24/34/584552434.db2.gz NRFNIZODKHBMHG-CQSZACIVSA-N 1 3 247.386 1.992 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000902375194 584567859 /nfs/dbraw/zinc/56/78/59/584567859.db2.gz BEYZXKSPEJYMED-JHJVBQTASA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCC[C@H]2O)C1 ZINC000902375194 584567860 /nfs/dbraw/zinc/56/78/60/584567860.db2.gz BEYZXKSPEJYMED-JHJVBQTASA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)[C@H](O)C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376318 584567903 /nfs/dbraw/zinc/56/79/03/584567903.db2.gz JGZWSFGMNLBASF-QJPTWQEYSA-N 1 3 240.391 1.514 20 0 BDADHO CC(C)(O)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376923 584568631 /nfs/dbraw/zinc/56/86/31/584568631.db2.gz NXJJKPLTPDXWNC-NSHDSACASA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(O)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902376923 584568632 /nfs/dbraw/zinc/56/86/32/584568632.db2.gz NXJJKPLTPDXWNC-NSHDSACASA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(O)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376922 584568642 /nfs/dbraw/zinc/56/86/42/584568642.db2.gz NXJJKPLTPDXWNC-LLVKDONJSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(O)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902376922 584568643 /nfs/dbraw/zinc/56/86/43/584568643.db2.gz NXJJKPLTPDXWNC-LLVKDONJSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000902385989 584578284 /nfs/dbraw/zinc/57/82/84/584578284.db2.gz CKMBFOLSUXPBFT-GFCCVEGCSA-N 1 3 240.391 1.517 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@H](C)O ZINC000902389165 584580381 /nfs/dbraw/zinc/58/03/81/584580381.db2.gz VOFBRGPQNLNTDZ-SRVKXCTJSA-N 1 3 228.380 1.514 20 0 BDADHO CC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)O ZINC000902389165 584580382 /nfs/dbraw/zinc/58/03/82/584580382.db2.gz VOFBRGPQNLNTDZ-SRVKXCTJSA-N 1 3 228.380 1.514 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CC2)C12CCCC2 ZINC000902412781 584580926 /nfs/dbraw/zinc/58/09/26/584580926.db2.gz DTRSQQRNYOHDNM-NWDGAFQWSA-N 1 3 238.375 1.805 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCOCCF)C1 ZINC000902400547 584587056 /nfs/dbraw/zinc/58/70/56/584587056.db2.gz SUHAESVZIHKSMI-NSHDSACASA-N 1 3 232.343 1.340 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCNCC(C)(C)C2)C1 ZINC000902401783 584587574 /nfs/dbraw/zinc/58/75/74/584587574.db2.gz DKVFFRWUYWOXOX-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCc2cc(N)ccn2)C1 ZINC000902403871 584588269 /nfs/dbraw/zinc/58/82/69/584588269.db2.gz TWUOLKXVKPSTFR-GFCCVEGCSA-N 1 3 248.374 1.532 20 0 BDADHO C[C@H](Cc1ccsc1)NCC1([NH3+])CC1 ZINC000902416840 584590955 /nfs/dbraw/zinc/59/09/55/584590955.db2.gz OPYDBSYRFNENNH-SECBINFHSA-N 1 3 210.346 1.760 20 0 BDADHO COc1ccccc1C[C@H](C)NCC1([NH3+])CC1 ZINC000902417217 584590981 /nfs/dbraw/zinc/59/09/81/584590981.db2.gz XWOOQTDCYQKLPF-NSHDSACASA-N 1 3 234.343 1.707 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428002 584594088 /nfs/dbraw/zinc/59/40/88/584594088.db2.gz AEAZCAISSFEXGB-RNJOBUHISA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCC[C@@H]1CCCC[C@@H]1O ZINC000902428002 584594090 /nfs/dbraw/zinc/59/40/90/584594090.db2.gz AEAZCAISSFEXGB-RNJOBUHISA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436572 584596413 /nfs/dbraw/zinc/59/64/13/584596413.db2.gz ZWDQIYDJYCQVQF-QPKOPYBWSA-N 1 3 245.370 1.199 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902448562 584605709 /nfs/dbraw/zinc/60/57/09/584605709.db2.gz GNNAPCYBSNTHML-RTXFEEFZSA-N 1 3 237.391 1.057 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451597 584607405 /nfs/dbraw/zinc/60/74/05/584607405.db2.gz GZBSTMPHOLHZAC-SRJSSNNKSA-N 1 3 236.359 1.269 20 0 BDADHO C[C@H]([NH2+][C@H]1CNCC1(C)C)[C@@H]1CCCOC1 ZINC000902451387 584607579 /nfs/dbraw/zinc/60/75/79/584607579.db2.gz XEWKMVRBHCUYPU-TUAOUCFPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](NCCN1CCC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000902454168 584608740 /nfs/dbraw/zinc/60/87/40/584608740.db2.gz GPPIJCZPZFFECV-QWHCGFSZSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454772 584609453 /nfs/dbraw/zinc/60/94/53/584609453.db2.gz VHQKLNGNTADZDP-SRJSSNNKSA-N 1 3 236.359 1.140 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454772 584609454 /nfs/dbraw/zinc/60/94/54/584609454.db2.gz VHQKLNGNTADZDP-SRJSSNNKSA-N 1 3 236.359 1.140 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454782 584609654 /nfs/dbraw/zinc/60/96/54/584609654.db2.gz VQMFLDLOOAPDJK-DHGFIAHBSA-N 1 3 236.359 1.412 20 0 BDADHO C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468788 584615671 /nfs/dbraw/zinc/61/56/71/584615671.db2.gz VNFWWUHNTLXKQT-RXGFPQBGSA-N 1 3 206.333 1.658 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902505413 584621369 /nfs/dbraw/zinc/62/13/69/584621369.db2.gz RVXDUBYDNDJMJR-WOPDTQHZSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC[C@H](O)C2CC2)C1 ZINC000902505413 584621371 /nfs/dbraw/zinc/62/13/71/584621371.db2.gz RVXDUBYDNDJMJR-WOPDTQHZSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCC[C@H](O)C2CC2)C12CCC2 ZINC000902504612 584621590 /nfs/dbraw/zinc/62/15/90/584621590.db2.gz OYNFGDSDQDMKJR-TUAOUCFPSA-N 1 3 224.348 1.007 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCC[C@@H](O)C1CC1 ZINC000902504583 584621610 /nfs/dbraw/zinc/62/16/10/584621610.db2.gz OVFHTCTYFJKLOA-JHJVBQTASA-N 1 3 226.364 1.397 20 0 BDADHO Cc1ncccc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000902511090 584622980 /nfs/dbraw/zinc/62/29/80/584622980.db2.gz BUTPTIXSYTWZKY-GHMZBOCLSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000902511090 584622982 /nfs/dbraw/zinc/62/29/82/584622982.db2.gz BUTPTIXSYTWZKY-GHMZBOCLSA-N 1 3 221.348 1.648 20 0 BDADHO CC[C@H](NC[C@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000902482471 584623946 /nfs/dbraw/zinc/62/39/46/584623946.db2.gz LPNUVOPDUOEEKB-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NC[C@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000902483964 584624536 /nfs/dbraw/zinc/62/45/36/584624536.db2.gz TZSJHFUTMXWVQB-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000902514149 584629645 /nfs/dbraw/zinc/62/96/45/584629645.db2.gz RAALDYZRISFGJE-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000902514149 584629646 /nfs/dbraw/zinc/62/96/46/584629646.db2.gz RAALDYZRISFGJE-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO COC[C@@H](CCC[NH3+])NC/C=C/Cl ZINC000902517975 584630226 /nfs/dbraw/zinc/63/02/26/584630226.db2.gz JNTRJKABXSEWSA-HYYFJVDXSA-N 1 3 206.717 1.082 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+]C/C=C/Cl ZINC000902518135 584630868 /nfs/dbraw/zinc/63/08/68/584630868.db2.gz KXCQDYQBPHESMJ-RGGXIFFLSA-N 1 3 202.729 1.989 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCc1ccns1 ZINC000903426471 584761208 /nfs/dbraw/zinc/76/12/08/584761208.db2.gz LDFOKZMNGJIOPU-LLVKDONJSA-N 1 3 227.377 1.649 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1CCN(C2CC2)C1 ZINC000903443610 584768515 /nfs/dbraw/zinc/76/85/15/584768515.db2.gz FLPDVKOCLZXHPK-DYEKYZERSA-N 1 3 237.391 1.010 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCOC[C@H]2C2CC2)C1 ZINC000903454960 584773676 /nfs/dbraw/zinc/77/36/76/584773676.db2.gz OWSNRWUCPVIYQV-UHTWSYAYSA-N 1 3 224.348 1.225 20 0 BDADHO COC[C@H](C[NH2+][C@H]1CCNCC1(C)C)C(C)C ZINC000903455515 584774315 /nfs/dbraw/zinc/77/43/15/584774315.db2.gz XZALMHZTHDAJTJ-STQMWFEESA-N 1 3 242.407 1.883 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCOC2CCSCC2)C1 ZINC000903717097 584792082 /nfs/dbraw/zinc/79/20/82/584792082.db2.gz ZONVXYZCMAPKCW-NSHDSACASA-N 1 3 244.404 1.179 20 0 BDADHO C[C@H](O)CCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903730440 584793201 /nfs/dbraw/zinc/79/32/01/584793201.db2.gz WHFFVTWEJIZAGE-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC1CC(C[N@@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000903751066 584795796 /nfs/dbraw/zinc/79/57/96/584795796.db2.gz DJEKCHSBCHYQJQ-JXQTWKCFSA-N 1 3 237.391 1.012 20 0 BDADHO CC1CC(C[N@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000903751066 584795798 /nfs/dbraw/zinc/79/57/98/584795798.db2.gz DJEKCHSBCHYQJQ-JXQTWKCFSA-N 1 3 237.391 1.012 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1C[C@H]1CCCC[NH2+]C1 ZINC000903762800 584797661 /nfs/dbraw/zinc/79/76/61/584797661.db2.gz DITBEDAAERIHJO-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO CC1CC(CN2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903770028 584797909 /nfs/dbraw/zinc/79/79/09/584797909.db2.gz RRJMMMIREFHQDN-FIYWTHMPSA-N 1 3 208.349 1.846 20 0 BDADHO CC1CC(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000903770030 584798001 /nfs/dbraw/zinc/79/80/01/584798001.db2.gz RRJMMMIREFHQDN-IFWUJCSASA-N 1 3 208.349 1.846 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCNC1)[C@H]1CCCOC1 ZINC000903758517 584798617 /nfs/dbraw/zinc/79/86/17/584798617.db2.gz LQRIMCNUZKDSER-MJBXVCDLSA-N 1 3 240.391 1.781 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC000903838267 584806877 /nfs/dbraw/zinc/80/68/77/584806877.db2.gz AWPCUMPWGGZNDB-PDWCTOEPSA-N 1 3 236.359 1.225 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@@]13CCOC3)C2 ZINC000903838267 584806878 /nfs/dbraw/zinc/80/68/78/584806878.db2.gz AWPCUMPWGGZNDB-PDWCTOEPSA-N 1 3 236.359 1.225 20 0 BDADHO N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCCO)C2 ZINC000903845257 584807508 /nfs/dbraw/zinc/80/75/08/584807508.db2.gz GETFORMYACUBIA-AVGNSLFASA-N 1 3 226.364 1.351 20 0 BDADHO N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCCO)C2 ZINC000903845257 584807509 /nfs/dbraw/zinc/80/75/09/584807509.db2.gz GETFORMYACUBIA-AVGNSLFASA-N 1 3 226.364 1.351 20 0 BDADHO COCCCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903855294 584809178 /nfs/dbraw/zinc/80/91/78/584809178.db2.gz MJNAPBMVCDNBJU-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@]12CC[C@H]1CCN2CCCCCF ZINC000903859001 584811071 /nfs/dbraw/zinc/81/10/71/584811071.db2.gz KTUKCXXGSAPRFK-RYUDHWBXSA-N 1 3 214.328 1.939 20 0 BDADHO CN(C[C@@H]([NH3+])CC(F)F)[C@H]1CCN(C2CC2)C1 ZINC000903892912 584818929 /nfs/dbraw/zinc/81/89/29/584818929.db2.gz XZYCQKLZWULGIB-ONGXEEELSA-N 1 3 247.333 1.137 20 0 BDADHO [NH3+][C@H](CNC1(CO)CCCCC1)CC(F)F ZINC000903905473 584821281 /nfs/dbraw/zinc/82/12/81/584821281.db2.gz GQUMPWOIWJOWLK-VIFPVBQESA-N 1 3 236.306 1.254 20 0 BDADHO CC[C@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903925839 584823590 /nfs/dbraw/zinc/82/35/90/584823590.db2.gz HSRLMXPPVXWRKV-WDEREUQCSA-N 1 3 237.351 1.091 20 0 BDADHO CN(Cc1c[nH]cn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931382 584825215 /nfs/dbraw/zinc/82/52/15/584825215.db2.gz CFMFDXFNQCGJHH-YOGCLGLASA-N 1 3 234.347 1.372 20 0 BDADHO CN(Cc1cnc[nH]1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903931382 584825216 /nfs/dbraw/zinc/82/52/16/584825216.db2.gz CFMFDXFNQCGJHH-YOGCLGLASA-N 1 3 234.347 1.372 20 0 BDADHO N[C@@H](CNC[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903918045 584826969 /nfs/dbraw/zinc/82/69/69/584826969.db2.gz QYPUHQUBVTYHMG-MNOVXSKESA-N 1 3 243.301 1.259 20 0 BDADHO CC[C@@H](COC)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903956970 584827776 /nfs/dbraw/zinc/82/77/76/584827776.db2.gz ODGHAWZTDVTJBC-ZJUUUORDSA-N 1 3 236.306 1.246 20 0 BDADHO C[C@@H]1C[C@H]1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969772 584832089 /nfs/dbraw/zinc/83/20/89/584832089.db2.gz KXIWKLIXDQQDNW-AGIUHOORSA-N 1 3 238.375 1.391 20 0 BDADHO Nc1ccnc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000903954777 584832276 /nfs/dbraw/zinc/83/22/76/584832276.db2.gz VJLBNYJVTFYQDH-MWLCHTKSSA-N 1 3 220.320 1.023 20 0 BDADHO Nc1ccnc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000903954776 584832295 /nfs/dbraw/zinc/83/22/95/584832295.db2.gz VJLBNYJVTFYQDH-KOLCDFICSA-N 1 3 220.320 1.023 20 0 BDADHO CCn1ccnc1CNCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974731 584832483 /nfs/dbraw/zinc/83/24/83/584832483.db2.gz QYCFIVOAEKPSRQ-VXGBXAGGSA-N 1 3 236.363 1.238 20 0 BDADHO CCCN(CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904304069 584861783 /nfs/dbraw/zinc/86/17/83/584861783.db2.gz QEEWKBGCSQXOSL-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CCC[N@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904304069 584861784 /nfs/dbraw/zinc/86/17/84/584861784.db2.gz QEEWKBGCSQXOSL-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CCC[N@@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904304069 584861785 /nfs/dbraw/zinc/86/17/85/584861785.db2.gz QEEWKBGCSQXOSL-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CC(C)c1ncc(CN(C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904342457 584867436 /nfs/dbraw/zinc/86/74/36/584867436.db2.gz IBJLPSIDDSITDD-BJHJDKERSA-N 1 3 248.374 1.769 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCNCc3ccccc32)C1 ZINC000904354041 584870361 /nfs/dbraw/zinc/87/03/61/584870361.db2.gz UUYNLVBEEWNAES-BJHJDKERSA-N 1 3 231.343 1.334 20 0 BDADHO Cc1noc(C)c1CNC[C@H]1C[C@@H]([NH3+])C1 ZINC000904360684 584871821 /nfs/dbraw/zinc/87/18/21/584871821.db2.gz OBURGIRPHHTQNC-AOOOYVTPSA-N 1 3 209.293 1.118 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@@H]1CCO ZINC000904372236 584873409 /nfs/dbraw/zinc/87/34/09/584873409.db2.gz ZTOUIACKHWFLQX-QWHCGFSZSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@@H]1CCO ZINC000904372236 584873410 /nfs/dbraw/zinc/87/34/10/584873410.db2.gz ZTOUIACKHWFLQX-QWHCGFSZSA-N 1 3 242.407 1.987 20 0 BDADHO CC1(C)C[C@H](O)CN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904383927 584877246 /nfs/dbraw/zinc/87/72/46/584877246.db2.gz DDWVXYZLCTUESB-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@H](O)C[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904383927 584877247 /nfs/dbraw/zinc/87/72/47/584877247.db2.gz DDWVXYZLCTUESB-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@H](O)C[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904383927 584877248 /nfs/dbraw/zinc/87/72/48/584877248.db2.gz DDWVXYZLCTUESB-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@]1(CNCc2cc(N)ccn2)CCC[NH2+]C1 ZINC000904386302 584877702 /nfs/dbraw/zinc/87/77/02/584877702.db2.gz VVBBCMOHHMMBBP-ZDUSSCGKSA-N 1 3 234.347 1.143 20 0 BDADHO [NH3+]CC[C@H]1CCN(Cc2cnc3ccccn23)C1 ZINC000904405594 584878454 /nfs/dbraw/zinc/87/84/54/584878454.db2.gz KCYPWRGABWZHMH-LBPRGKRZSA-N 1 3 244.342 1.505 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838862563 585075926 /nfs/dbraw/zinc/07/59/26/585075926.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 1 3 226.364 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838862563 585075927 /nfs/dbraw/zinc/07/59/27/585075927.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838862563 585075928 /nfs/dbraw/zinc/07/59/28/585075928.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838862563 585075929 /nfs/dbraw/zinc/07/59/29/585075929.db2.gz KTBYRPWAGLWNTA-DGCLKSJQSA-N 1 3 226.364 1.031 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)C2CC2)CC1 ZINC000838969437 585082999 /nfs/dbraw/zinc/08/29/99/585082999.db2.gz XTWVLXZLTDSGHB-OLZOCXBDSA-N 1 3 226.364 1.173 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)C2CC2)CC1 ZINC000838969437 585083000 /nfs/dbraw/zinc/08/30/00/585083000.db2.gz XTWVLXZLTDSGHB-OLZOCXBDSA-N 1 3 226.364 1.173 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(C[C@H](O)C2CC2)CC1 ZINC000838969437 585083001 /nfs/dbraw/zinc/08/30/01/585083001.db2.gz XTWVLXZLTDSGHB-OLZOCXBDSA-N 1 3 226.364 1.173 20 0 BDADHO CCCN(C)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000741215601 585111447 /nfs/dbraw/zinc/11/14/47/585111447.db2.gz IWPDQTUUSDJNHN-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CCN1C[C@H](C)N(CC[NH+]2CCCC2)C[C@H]1C ZINC000766254401 585499706 /nfs/dbraw/zinc/49/97/06/585499706.db2.gz QAAQCXOZTDBHST-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]1[C@H](C)N(C)CCN1CC[NH+]1CCCC1 ZINC000771458169 585594760 /nfs/dbraw/zinc/59/47/60/585594760.db2.gz CZBPWWOVAGVOTF-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CCC[C@H]1CNC(=O)CCCCCC[NH3+] ZINC000224046845 585719692 /nfs/dbraw/zinc/71/96/92/585719692.db2.gz MVTSJBUEWLYBFZ-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H](CCO)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000779342025 585751740 /nfs/dbraw/zinc/75/17/40/585751740.db2.gz QBSWFSFSVLHYCF-MGPQQGTHSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H](CCO)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000779342025 585751741 /nfs/dbraw/zinc/75/17/41/585751741.db2.gz QBSWFSFSVLHYCF-MGPQQGTHSA-N 1 3 242.407 1.715 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779393281 585753122 /nfs/dbraw/zinc/75/31/22/585753122.db2.gz RCYUWICCVGJMTL-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000783240804 585831843 /nfs/dbraw/zinc/83/18/43/585831843.db2.gz RQVMGUWTCGXSOD-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H](C[S@](C)=O)[N@H+](C)CC1CCN(C)CC1 ZINC000788490085 585925561 /nfs/dbraw/zinc/92/55/61/585925561.db2.gz XEKKSZILXCXXST-ZBEGNZNMSA-N 1 3 246.420 1.027 20 0 BDADHO C[C@@H](C[S@](C)=O)[N@@H+](C)CC1CCN(C)CC1 ZINC000788490085 585925562 /nfs/dbraw/zinc/92/55/62/585925562.db2.gz XEKKSZILXCXXST-ZBEGNZNMSA-N 1 3 246.420 1.027 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CSCCS1 ZINC000817898554 586831118 /nfs/dbraw/zinc/83/11/18/586831118.db2.gz ISNKCBAHHVABKB-BBBLOLIVSA-N 1 3 232.418 1.304 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000817892512 586832748 /nfs/dbraw/zinc/83/27/48/586832748.db2.gz ASNQGQDHARRQBK-LEWSCRJBSA-N 1 3 234.343 1.709 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1cccnc1 ZINC000817892245 586832902 /nfs/dbraw/zinc/83/29/02/586832902.db2.gz LRECDKHXWIZDHY-AAEUAGOBSA-N 1 3 235.331 1.177 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1cccnc1 ZINC000817892248 586833189 /nfs/dbraw/zinc/83/31/89/586833189.db2.gz LRECDKHXWIZDHY-YPMHNXCESA-N 1 3 235.331 1.177 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000817901467 586835620 /nfs/dbraw/zinc/83/56/20/586835620.db2.gz VUVOMOJGESVGBB-OUAUKWLOSA-N 1 3 246.420 1.470 20 0 BDADHO Cc1cccc(OCCCN[C@H](C)C2C[NH2+]C2)c1 ZINC000817907802 586836735 /nfs/dbraw/zinc/83/67/35/586836735.db2.gz WRWQSICAWISNEF-CYBMUJFWSA-N 1 3 248.370 1.961 20 0 BDADHO Cc1cccc(OCCC[NH2+][C@H](C)C2CNC2)c1 ZINC000817907802 586836738 /nfs/dbraw/zinc/83/67/38/586836738.db2.gz WRWQSICAWISNEF-CYBMUJFWSA-N 1 3 248.370 1.961 20 0 BDADHO Cc1cccc([C@H](O)CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000817909969 586837969 /nfs/dbraw/zinc/83/79/69/586837969.db2.gz FSGIDGNKZCWQTF-MBNYWOFBSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@H](Cc1ccco1)N[C@H](C)C[C@H](C)[NH3+] ZINC000817913855 586838887 /nfs/dbraw/zinc/83/88/87/586838887.db2.gz NGIDLANOKYUCIU-HBNTYKKESA-N 1 3 210.321 1.926 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(O)CCc2ccccc21 ZINC000817916165 586839136 /nfs/dbraw/zinc/83/91/36/586839136.db2.gz AOHBZBWOKUJDIZ-HUBLWGQQSA-N 1 3 248.370 1.536 20 0 BDADHO CC1(CN[C@@H]2CCCC[C@H]2C[NH3+])OCCCO1 ZINC000817926900 586841259 /nfs/dbraw/zinc/84/12/59/586841259.db2.gz WAYQYIHPIWVRLS-NWDGAFQWSA-N 1 3 242.363 1.247 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCc3n[nH]cc32)C1 ZINC000817970019 586855862 /nfs/dbraw/zinc/85/58/62/586855862.db2.gz JNWAIHLIPFLACX-CKYFFXLPSA-N 1 3 234.347 1.647 20 0 BDADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000817970965 586857329 /nfs/dbraw/zinc/85/73/29/586857329.db2.gz ISXUBOLTZVAGJE-NXEZZACHSA-N 1 3 220.316 1.619 20 0 BDADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817970968 586858203 /nfs/dbraw/zinc/85/82/03/586858203.db2.gz ISXUBOLTZVAGJE-ZJUUUORDSA-N 1 3 220.316 1.619 20 0 BDADHO CCn1nc(C)c(CN[C@@H](C)CCCC[NH3+])n1 ZINC000818615831 586906295 /nfs/dbraw/zinc/90/62/95/586906295.db2.gz RIWYPSBKMACNQT-JTQLQIEISA-N 1 3 239.367 1.214 20 0 BDADHO C[C@@H](C[NH2+]C[C@H](O)C1CC1)CN1CCCCC1 ZINC000818968936 586917886 /nfs/dbraw/zinc/91/78/86/586917886.db2.gz GSXVEKLRSHZRAO-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](CNC[C@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000818968936 586917888 /nfs/dbraw/zinc/91/78/88/586917888.db2.gz GSXVEKLRSHZRAO-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO [NH3+]CCCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000841004976 587935056 /nfs/dbraw/zinc/93/50/56/587935056.db2.gz VAEYQYGSMALEQP-OAHLLOKOSA-N 1 3 248.370 1.781 20 0 BDADHO [NH3+]C[C@@H]1CC[C@H](NCc2cccnc2Cl)C1 ZINC000841084438 587945851 /nfs/dbraw/zinc/94/58/51/587945851.db2.gz JKMHMTKHZBBIIL-KOLCDFICSA-N 1 3 239.750 1.952 20 0 BDADHO CC(C)N(CCCCCCC[NH3+])CC(N)=O ZINC000842471707 588029365 /nfs/dbraw/zinc/02/93/65/588029365.db2.gz UIYCIDRCQRZPNG-UHFFFAOYSA-N 1 3 229.368 1.091 20 0 BDADHO CCn1nccc1CNCCCCCC[NH3+] ZINC000843127079 588084720 /nfs/dbraw/zinc/08/47/20/588084720.db2.gz MZDOVOMVZWGWIE-UHFFFAOYSA-N 1 3 224.352 1.512 20 0 BDADHO Cn1ccnc1CNCCCCCC[NH3+] ZINC000843127588 588085295 /nfs/dbraw/zinc/08/52/95/588085295.db2.gz QLLIJPGYUZKWOE-UHFFFAOYSA-N 1 3 210.325 1.029 20 0 BDADHO Cc1c[nH]nc1CNCCCCCC[NH3+] ZINC000843130176 588085636 /nfs/dbraw/zinc/08/56/36/588085636.db2.gz ZJMOASYECLLBJY-UHFFFAOYSA-N 1 3 210.325 1.327 20 0 BDADHO Cl/C=C/CN1CCC2(C1)CC[NH2+]CC2 ZINC000846219671 588260691 /nfs/dbraw/zinc/26/06/91/588260691.db2.gz FAIBVDXYDUNICG-ORCRQEGFSA-N 1 3 214.740 1.814 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOc2cccnc2)C1 ZINC000848718120 588407944 /nfs/dbraw/zinc/40/79/44/588407944.db2.gz YHRSMEYSTGSOCU-NEPJUHHUSA-N 1 3 235.331 1.320 20 0 BDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)F ZINC000849033600 588443946 /nfs/dbraw/zinc/44/39/46/588443946.db2.gz RHCFKFGDTJMLKO-MNOVXSKESA-N 1 3 244.358 1.333 20 0 BDADHO CC[N@@H+]1CCCN(CCN2CCCC2)[C@@H](C)C1 ZINC000852165964 588668696 /nfs/dbraw/zinc/66/86/96/588668696.db2.gz NPJVCJHOCIGVDH-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CC[N@H+]1CCCN(CCN2CCCC2)[C@@H](C)C1 ZINC000852165964 588668697 /nfs/dbraw/zinc/66/86/97/588668697.db2.gz NPJVCJHOCIGVDH-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@@H]([NH3+])C1CCN(CCOC(F)F)CC1 ZINC000852743809 588699191 /nfs/dbraw/zinc/69/91/91/588699191.db2.gz KPIYASUHGQOZKJ-MRVPVSSYSA-N 1 3 222.279 1.285 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOC(F)F)C[C@H]21 ZINC000852746629 588699268 /nfs/dbraw/zinc/69/92/68/588699268.db2.gz MUWRXALALMMDTH-IVZWLZJFSA-N 1 3 234.290 1.285 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000863482079 589292443 /nfs/dbraw/zinc/29/24/43/589292443.db2.gz RPVSJLPPUJFTSJ-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](CNC(=[NH2+])NCCC1CC1)N1CCCC1 ZINC000864453327 589366234 /nfs/dbraw/zinc/36/62/34/589366234.db2.gz MMMVAWXWCVCZGW-NSHDSACASA-N 1 3 238.379 1.385 20 0 BDADHO CCC(CC)NC(=[NH2+])NCCNC(C)(C)C ZINC000864458826 589368410 /nfs/dbraw/zinc/36/84/10/589368410.db2.gz UHDPWXMBLWKXSC-UHFFFAOYSA-N 1 3 228.384 1.677 20 0 BDADHO CN1CC[C@H]2C[N@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703719 589513623 /nfs/dbraw/zinc/51/36/23/589513623.db2.gz KTYGXBKQAHCKKH-ZFWWWQNUSA-N 1 3 245.370 1.795 20 0 BDADHO CN1CC[C@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@@H]21 ZINC000866703719 589513624 /nfs/dbraw/zinc/51/36/24/589513624.db2.gz KTYGXBKQAHCKKH-ZFWWWQNUSA-N 1 3 245.370 1.795 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CC2(CCC2)CO1 ZINC000872141814 589882171 /nfs/dbraw/zinc/88/21/71/589882171.db2.gz URENPENCVXGHOE-QWHCGFSZSA-N 1 3 240.391 1.909 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254222 589901614 /nfs/dbraw/zinc/90/16/14/589901614.db2.gz WTYTWINQIIUHQR-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)([NH3+])CCC(=O)N1CCNCCC1(C)C ZINC000872290647 589906400 /nfs/dbraw/zinc/90/64/00/589906400.db2.gz WYNXKCSLTOYQGN-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@]1(CN2CC[C@@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000873221384 589999946 /nfs/dbraw/zinc/99/99/46/589999946.db2.gz IYWWMPYTJJHCRF-AGIUHOORSA-N 1 3 240.416 1.671 20 0 BDADHO C[C@H](CCCCO)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234029 590003097 /nfs/dbraw/zinc/00/30/97/590003097.db2.gz BFYLAGHYTPBCHU-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(C)n1 ZINC000873260546 590013741 /nfs/dbraw/zinc/01/37/41/590013741.db2.gz CPZVKNXNISGNJE-FVCCEPFGSA-N 1 3 248.374 1.601 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000873282258 590018707 /nfs/dbraw/zinc/01/87/07/590018707.db2.gz GPRYQPFWHLBSIS-SDDRHHMPSA-N 1 3 240.347 1.047 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC(C)(C)CO1 ZINC000873282956 590019395 /nfs/dbraw/zinc/01/93/95/590019395.db2.gz XQPHJPDBIRYQMD-DCAQKATOSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1cc(N)cc(F)c1 ZINC000873291554 590023563 /nfs/dbraw/zinc/02/35/63/590023563.db2.gz XDHUCYNGWIJOIO-IUCAKERBSA-N 1 3 225.311 1.623 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+]C[C@H]1CCN(CC)C1)OC ZINC000876942696 590259428 /nfs/dbraw/zinc/25/94/28/590259428.db2.gz BTQCPWLZVZSSDM-MJBXVCDLSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@H](CNC[C@H]1CC[N@H+](CC)C1)OC ZINC000876942696 590259429 /nfs/dbraw/zinc/25/94/29/590259429.db2.gz BTQCPWLZVZSSDM-MJBXVCDLSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@H](CNC[C@H]1CC[N@@H+](CC)C1)OC ZINC000876942696 590259430 /nfs/dbraw/zinc/25/94/30/590259430.db2.gz BTQCPWLZVZSSDM-MJBXVCDLSA-N 1 3 242.407 1.979 20 0 BDADHO CN[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877137957 590290930 /nfs/dbraw/zinc/29/09/30/590290930.db2.gz LLTAMLFXIMDFAL-KPXOXKRLSA-N 1 3 233.315 1.048 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)CC[C@H]21 ZINC000877742079 590409386 /nfs/dbraw/zinc/40/93/86/590409386.db2.gz OKONTYMDENYIAI-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CC[C@H]21 ZINC000877742079 590409388 /nfs/dbraw/zinc/40/93/88/590409388.db2.gz OKONTYMDENYIAI-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO CC(C)[C@@H](O)CC[NH+]1CCC(N(C)C)CC1 ZINC000877959695 590458419 /nfs/dbraw/zinc/45/84/19/590458419.db2.gz RDLQVPFQJRDOGH-ZDUSSCGKSA-N 1 3 228.380 1.419 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000878513254 590584021 /nfs/dbraw/zinc/58/40/21/590584021.db2.gz YNSZZJIIYHCXKD-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000878513254 590584023 /nfs/dbraw/zinc/58/40/23/590584023.db2.gz YNSZZJIIYHCXKD-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1C[C@@H](CN2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000878513254 590584024 /nfs/dbraw/zinc/58/40/24/590584024.db2.gz YNSZZJIIYHCXKD-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000879320217 590740763 /nfs/dbraw/zinc/74/07/63/590740763.db2.gz DPWBIFKQQQMUKW-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(CC[C@H]2CCC[N@H+]2C)C1 ZINC000879320217 590740764 /nfs/dbraw/zinc/74/07/64/590740764.db2.gz DPWBIFKQQQMUKW-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800092 /nfs/dbraw/zinc/80/00/92/590800092.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800094 /nfs/dbraw/zinc/80/00/94/590800094.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800097 /nfs/dbraw/zinc/80/00/97/590800097.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CCC(C)(C)O)CC[C@H]21 ZINC000879573995 590800098 /nfs/dbraw/zinc/80/00/98/590800098.db2.gz VJZRZARIKPKRBS-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569961 590805386 /nfs/dbraw/zinc/80/53/86/590805386.db2.gz CSCNMJDTYIBYTB-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569961 590805388 /nfs/dbraw/zinc/80/53/88/590805388.db2.gz CSCNMJDTYIBYTB-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812709 /nfs/dbraw/zinc/81/27/09/590812709.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@H]2CN(CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812712 /nfs/dbraw/zinc/81/27/12/590812712.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812714 /nfs/dbraw/zinc/81/27/14/590812714.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577841 590812718 /nfs/dbraw/zinc/81/27/18/590812718.db2.gz MXWCKGPUVHOSOI-KBPBESRZSA-N 1 3 248.374 1.299 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879578619 590818423 /nfs/dbraw/zinc/81/84/23/590818423.db2.gz FZHFTUVJLJFSLP-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879578619 590818425 /nfs/dbraw/zinc/81/84/25/590818425.db2.gz FZHFTUVJLJFSLP-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1)OC ZINC000879581294 590820059 /nfs/dbraw/zinc/82/00/59/590820059.db2.gz XULYMWANUNYLQU-JHJVBQTASA-N 1 3 226.364 1.437 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1)OC ZINC000879581294 590820061 /nfs/dbraw/zinc/82/00/61/590820061.db2.gz XULYMWANUNYLQU-JHJVBQTASA-N 1 3 226.364 1.437 20 0 BDADHO CC(C)OCCCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880129837 590931540 /nfs/dbraw/zinc/93/15/40/590931540.db2.gz BGDBXKBUETWIRD-KBPBESRZSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)OCCCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880129837 590931544 /nfs/dbraw/zinc/93/15/44/590931544.db2.gz BGDBXKBUETWIRD-KBPBESRZSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)OCCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880129839 590932365 /nfs/dbraw/zinc/93/23/65/590932365.db2.gz BGDBXKBUETWIRD-UONOGXRCSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)OCCCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880129839 590932367 /nfs/dbraw/zinc/93/23/67/590932367.db2.gz BGDBXKBUETWIRD-UONOGXRCSA-N 1 3 240.391 1.970 20 0 BDADHO CC1([NH+]2CCC2)CCN(C[C@H]2CCOC2)CC1 ZINC000880472150 591051828 /nfs/dbraw/zinc/05/18/28/591051828.db2.gz FIXMMVLPUUEMHP-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO [NH3+]CCCCCCN1CCc2ncncc2C1 ZINC000883461826 591673822 /nfs/dbraw/zinc/67/38/22/591673822.db2.gz DWXWCIGYNGDMDM-UHFFFAOYSA-N 1 3 234.347 1.354 20 0 BDADHO c1ncc2c(n1)CCN(CC[C@@H]1CCC[NH2+]C1)C2 ZINC000883461692 591674616 /nfs/dbraw/zinc/67/46/16/591674616.db2.gz BATKZGTUDAQNHY-LBPRGKRZSA-N 1 3 246.358 1.224 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884037830 591818683 /nfs/dbraw/zinc/81/86/83/591818683.db2.gz NHVYPPVBIAYUNC-NOZJJQNGSA-N 1 3 247.342 1.772 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000886613722 592276431 /nfs/dbraw/zinc/27/64/31/592276431.db2.gz CPOJKDPJDOGNRE-QJPTWQEYSA-N 1 3 242.363 1.115 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](NC[C@H](C)C[NH+](C)C)C1 ZINC000886613722 592276433 /nfs/dbraw/zinc/27/64/33/592276433.db2.gz CPOJKDPJDOGNRE-QJPTWQEYSA-N 1 3 242.363 1.115 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828236 592350189 /nfs/dbraw/zinc/35/01/89/592350189.db2.gz ZZIWNHOJTBJRLD-YNEHKIRRSA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828236 592350194 /nfs/dbraw/zinc/35/01/94/592350194.db2.gz ZZIWNHOJTBJRLD-YNEHKIRRSA-N 1 3 224.348 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828236 592350199 /nfs/dbraw/zinc/35/01/99/592350199.db2.gz ZZIWNHOJTBJRLD-YNEHKIRRSA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828234 592351085 /nfs/dbraw/zinc/35/10/85/592351085.db2.gz ZZIWNHOJTBJRLD-RWMBFGLXSA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828234 592351091 /nfs/dbraw/zinc/35/10/91/592351091.db2.gz ZZIWNHOJTBJRLD-RWMBFGLXSA-N 1 3 224.348 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828234 592351096 /nfs/dbraw/zinc/35/10/96/592351096.db2.gz ZZIWNHOJTBJRLD-RWMBFGLXSA-N 1 3 224.348 1.084 20 0 BDADHO CC(C)N(CCNC(=[NH2+])NCC1CC1)C(C)C ZINC000887346246 592483831 /nfs/dbraw/zinc/48/38/31/592483831.db2.gz WBRAGOPFRXFUCE-UHFFFAOYSA-N 1 3 240.395 1.629 20 0 BDADHO CN1CCC[C@@H]1CNC(=O)CCCCCC[NH3+] ZINC000224046797 592550489 /nfs/dbraw/zinc/55/04/89/592550489.db2.gz MVTSJBUEWLYBFZ-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO COCCCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062868058 635465043 /nfs/dbraw/zinc/46/50/43/635465043.db2.gz YYAUKVJXEXYGBW-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO C[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309060179 631835156 /nfs/dbraw/zinc/83/51/56/631835156.db2.gz XIZFDLMKCJJTLR-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO CCC[C@H](N)C(=O)N(CCC)C1CC[NH2+]CC1 ZINC000236794600 633824648 /nfs/dbraw/zinc/82/46/48/633824648.db2.gz IQUYIFHMJYHYBV-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1CCC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925504645 633833727 /nfs/dbraw/zinc/83/37/27/633833727.db2.gz LIRDHMCZFQJGNK-JHJVBQTASA-N 1 3 226.364 1.391 20 0 BDADHO CCCC[NH+]1CCC(N[C@@H](C)COC)CC1 ZINC000053174554 633877560 /nfs/dbraw/zinc/87/75/60/633877560.db2.gz NYXDXBGFWNKVEL-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO [NH3+][C@H]1C[C@H](NC[C@H]2CCCO2)C12CCC2 ZINC000925680580 634280693 /nfs/dbraw/zinc/28/06/93/634280693.db2.gz RXYURRRVNDAPGO-VWYCJHECSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C[C@H]2CCCO2)C12CCC2 ZINC000925680580 634280696 /nfs/dbraw/zinc/28/06/96/634280696.db2.gz RXYURRRVNDAPGO-VWYCJHECSA-N 1 3 210.321 1.025 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1(CF)CCOCC1 ZINC000925683347 634286851 /nfs/dbraw/zinc/28/68/51/634286851.db2.gz PDDLHIHLBMMUPK-NEPJUHHUSA-N 1 3 244.354 1.483 20 0 BDADHO O[C@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925694638 634334059 /nfs/dbraw/zinc/33/40/59/634334059.db2.gz VPEGXWCPKQYKIJ-RQJABVFESA-N 1 3 238.375 1.268 20 0 BDADHO O[C@H]1C[C@@H]([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925694638 634334067 /nfs/dbraw/zinc/33/40/67/634334067.db2.gz VPEGXWCPKQYKIJ-RQJABVFESA-N 1 3 238.375 1.268 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925701437 634375191 /nfs/dbraw/zinc/37/51/91/634375191.db2.gz ZMGAMRMLHGZKHK-FDYHWXHSSA-N 1 3 226.364 1.389 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925774304 635234261 /nfs/dbraw/zinc/23/42/61/635234261.db2.gz MIHCVYPIPSIDOL-JHJVBQTASA-N 1 3 226.364 1.663 20 0 BDADHO NC1(C[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000259195248 635250900 /nfs/dbraw/zinc/25/09/00/635250900.db2.gz WEISHKCEOBKAIR-UHFFFAOYSA-N 1 3 234.299 1.039 20 0 BDADHO CN(C)c1ccnc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000925813491 635374648 /nfs/dbraw/zinc/37/46/48/635374648.db2.gz UIMMVJVNXVIIIO-SMDDNHRTSA-N 1 3 248.374 1.365 20 0 BDADHO CN(C)c1ccnc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925813488 635374744 /nfs/dbraw/zinc/37/47/44/635374744.db2.gz UIMMVJVNXVIIIO-BXUZGUMPSA-N 1 3 248.374 1.365 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccncc1 ZINC000084215718 636874407 /nfs/dbraw/zinc/87/44/07/636874407.db2.gz MYQOIQDYXODKDU-OLZOCXBDSA-N 1 3 219.332 1.689 20 0 BDADHO CC1(C)C[C@H](O)CN(C[C@H]2CCC[NH2+]C2)C1 ZINC000866704329 636934431 /nfs/dbraw/zinc/93/44/31/636934431.db2.gz SSVYOGQFPQVMEW-RYUDHWBXSA-N 1 3 226.364 1.079 20 0 BDADHO CN1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000902446196 637305351 /nfs/dbraw/zinc/30/53/51/637305351.db2.gz SHCDBSIWUAKVAO-HUUCEWRRSA-N 1 3 245.370 1.295 20 0 BDADHO CCCCN(CCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903718591 637377118 /nfs/dbraw/zinc/37/71/18/637377118.db2.gz PHCXJHKCYSHXAV-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO C[C@@](O)(CNC[C@@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058433 637590469 /nfs/dbraw/zinc/59/04/69/637590469.db2.gz GPHXDACETQVGPX-JOYOIKCWSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@@](O)(CNC[C@@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058433 637590480 /nfs/dbraw/zinc/59/04/80/637590480.db2.gz GPHXDACETQVGPX-JOYOIKCWSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@@](O)(C[NH2+]C[C@@H]1CCN(C2CC2)C1)C(F)F ZINC000905058433 637590492 /nfs/dbraw/zinc/59/04/92/637590492.db2.gz GPHXDACETQVGPX-JOYOIKCWSA-N 1 3 248.317 1.076 20 0 BDADHO CN[C@@H](CC(C)C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000905304546 637761878 /nfs/dbraw/zinc/76/18/78/637761878.db2.gz MHMAABKUDRCXFW-ZJUUUORDSA-N 1 3 238.335 1.801 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000911800139 639822279 /nfs/dbraw/zinc/82/22/79/639822279.db2.gz OOQFXWRBHRTHHB-GHMZBOCLSA-N 1 3 243.395 1.384 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911831624 639842111 /nfs/dbraw/zinc/84/21/11/639842111.db2.gz LWIAPPFGFHEDIA-GVXVVHGQSA-N 1 3 243.395 1.240 20 0 BDADHO C[C@@H](C1CC1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076042 640059106 /nfs/dbraw/zinc/05/91/06/640059106.db2.gz MWLNFGIUDMBZGI-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO CN(C)[C@@H]1[C@H]2C[N@H+](CCc3cccc(F)c3)C[C@H]21 ZINC000931276331 640126496 /nfs/dbraw/zinc/12/64/96/640126496.db2.gz FFBUDTNMIKKGQZ-FICVDOATSA-N 1 3 248.345 1.860 20 0 BDADHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCc3cccc(F)c3)C[C@H]21 ZINC000931276331 640126502 /nfs/dbraw/zinc/12/65/02/640126502.db2.gz FFBUDTNMIKKGQZ-FICVDOATSA-N 1 3 248.345 1.860 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CCc3ccccn3)C[C@@H]2C1 ZINC000931432682 640200358 /nfs/dbraw/zinc/20/03/58/640200358.db2.gz ZSTKPIJNSIAXFR-KGLIPLIRSA-N 1 3 245.370 1.508 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CCc3ccccn3)C[C@@H]2C1 ZINC000931432682 640200367 /nfs/dbraw/zinc/20/03/67/640200367.db2.gz ZSTKPIJNSIAXFR-KGLIPLIRSA-N 1 3 245.370 1.508 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H](C)c1cc[nH]c(=O)c1 ZINC000924853525 640288566 /nfs/dbraw/zinc/28/85/66/640288566.db2.gz PABQWKWYKZWQGG-GHMZBOCLSA-N 1 3 237.347 1.778 20 0 BDADHO CCOCCCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725010 640340441 /nfs/dbraw/zinc/34/04/41/640340441.db2.gz RMVLGIIWHPKXJL-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CCOCCCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931725010 640340446 /nfs/dbraw/zinc/34/04/46/640340446.db2.gz RMVLGIIWHPKXJL-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(N)n1 ZINC000221676695 640416238 /nfs/dbraw/zinc/41/62/38/640416238.db2.gz YHQWGCWIOIVIAX-JTQLQIEISA-N 1 3 247.346 1.263 20 0 BDADHO Cc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(N)n1 ZINC000221676695 640416243 /nfs/dbraw/zinc/41/62/43/640416243.db2.gz YHQWGCWIOIVIAX-JTQLQIEISA-N 1 3 247.346 1.263 20 0 BDADHO C[C@@H]1CC[C@@H](CN2CCC[C@@H](C[NH3+])C2)O1 ZINC000227065644 640813302 /nfs/dbraw/zinc/81/33/02/640813302.db2.gz UUZLDKVZQWIUJM-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCSC1)CN1CCCC1 ZINC000062077973 641018327 /nfs/dbraw/zinc/01/83/27/641018327.db2.gz NQXHLOLIGDCGFR-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@]1(CNC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062862302 641100194 /nfs/dbraw/zinc/10/01/94/641100194.db2.gz CKQGKNZSKRGYIF-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO CN(CCc1cnn(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231669696 641193080 /nfs/dbraw/zinc/19/30/80/641193080.db2.gz FMAFRVBZBRZUQA-CYBMUJFWSA-N 1 3 236.363 1.037 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H](O)CC2CCCC2)C1 ZINC000232148412 641249647 /nfs/dbraw/zinc/24/96/47/641249647.db2.gz MTADJXULERDSCG-STQMWFEESA-N 1 3 226.364 1.208 20 0 BDADHO CC[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000044293936 641595233 /nfs/dbraw/zinc/59/52/33/641595233.db2.gz SBGYZXLEPITOBH-ZDUSSCGKSA-N 1 3 249.358 1.015 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000235088346 641824239 /nfs/dbraw/zinc/82/42/39/641824239.db2.gz ZILWMZWCUSNJNF-WDEREUQCSA-N 1 3 228.405 1.989 20 0 BDADHO CC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCOCC1 ZINC000233027420 642645294 /nfs/dbraw/zinc/64/52/94/642645294.db2.gz RESQARMMQDRHCN-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000233741585 642692901 /nfs/dbraw/zinc/69/29/01/642692901.db2.gz IPQFVCPWIVBNNA-NXEZZACHSA-N 1 3 214.353 1.517 20 0 BDADHO CCCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000306116014 642722517 /nfs/dbraw/zinc/72/25/17/642722517.db2.gz YUCGXFUNUUXCIZ-CQSZACIVSA-N 1 3 239.407 1.546 20 0 BDADHO CN1CC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252765248 643111039 /nfs/dbraw/zinc/11/10/39/643111039.db2.gz FSGVHGZVTFPSMO-BPNCWPANSA-N 1 3 231.343 1.425 20 0 BDADHO [NH3+]C[C@H]1CCCN(CCc2cccs2)C1 ZINC000082602401 643352579 /nfs/dbraw/zinc/35/25/79/643352579.db2.gz GPKLUXYQXOAJEU-LLVKDONJSA-N 1 3 224.373 1.961 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCCCCO ZINC000236212697 643619649 /nfs/dbraw/zinc/61/96/49/643619649.db2.gz PQKWESGDHDSOGZ-NEPJUHHUSA-N 1 3 214.353 1.256 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccncc1 ZINC000084218145 643650089 /nfs/dbraw/zinc/65/00/89/643650089.db2.gz ZHTRZCMQAJFFHQ-NEPJUHHUSA-N 1 3 205.305 1.299 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000922820756 644109948 /nfs/dbraw/zinc/10/99/48/644109948.db2.gz JIDJALRDXCYLIM-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000922820756 644109953 /nfs/dbraw/zinc/10/99/53/644109953.db2.gz JIDJALRDXCYLIM-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO NC[C@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000923279785 644310509 /nfs/dbraw/zinc/31/05/09/644310509.db2.gz CXZVYNCKVAJHDD-HUUCEWRRSA-N 1 3 248.370 1.403 20 0 BDADHO NC[C@H]1CCCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000923279785 644310514 /nfs/dbraw/zinc/31/05/14/644310514.db2.gz CXZVYNCKVAJHDD-HUUCEWRRSA-N 1 3 248.370 1.403 20 0 BDADHO CCOCCOCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923290530 644326968 /nfs/dbraw/zinc/32/69/68/644326968.db2.gz YNUBTKUYJKVDIE-OLZOCXBDSA-N 1 3 244.379 1.099 20 0 BDADHO C[C@@](C[NH3+])(NC[C@@H](O)Cc1ccccc1)C1CC1 ZINC000923297157 644334752 /nfs/dbraw/zinc/33/47/52/644334752.db2.gz ZGOGAMCYFKDFDV-GJZGRUSLSA-N 1 3 248.370 1.307 20 0 BDADHO C[C@](C[NH3+])(NC[C@H](O)Cc1ccccc1)C1CC1 ZINC000923297158 644336105 /nfs/dbraw/zinc/33/61/05/644336105.db2.gz ZGOGAMCYFKDFDV-HUUCEWRRSA-N 1 3 248.370 1.307 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@H](O)CC(F)(F)F ZINC000923366971 644377305 /nfs/dbraw/zinc/37/73/05/644377305.db2.gz BRVBSCZCUHXGDJ-SFYZADRCSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H](O)CC(F)(F)F ZINC000923366972 644377970 /nfs/dbraw/zinc/37/79/70/644377970.db2.gz BRVBSCZCUHXGDJ-YUMQZZPRSA-N 1 3 242.285 1.263 20 0 BDADHO C[C@@H](NC[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376449 644391960 /nfs/dbraw/zinc/39/19/60/644391960.db2.gz AXEVGETUNHYUTL-NEPJUHHUSA-N 1 3 247.342 1.111 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)Cc1ccccc1 ZINC000923422844 644420246 /nfs/dbraw/zinc/42/02/46/644420246.db2.gz TWUWCNWXICBORD-MJBXVCDLSA-N 1 3 248.370 1.305 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000923423188 644420489 /nfs/dbraw/zinc/42/04/89/644420489.db2.gz VTXAQCNHGRFQSK-BWZBUEFSSA-N 1 3 240.269 1.015 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)CC(F)(F)F ZINC000923423188 644420492 /nfs/dbraw/zinc/42/04/92/644420492.db2.gz VTXAQCNHGRFQSK-BWZBUEFSSA-N 1 3 240.269 1.015 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)Cc1ccccc1 ZINC000923422843 644420631 /nfs/dbraw/zinc/42/06/31/644420631.db2.gz TWUWCNWXICBORD-MGPQQGTHSA-N 1 3 248.370 1.305 20 0 BDADHO Cc1ccc(CN2CCNCC[NH2+]CC2)c(C)c1 ZINC000923459207 644439182 /nfs/dbraw/zinc/43/91/82/644439182.db2.gz DQLOVLWTAZULQP-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO COc1ccc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492131 644467028 /nfs/dbraw/zinc/46/70/28/644467028.db2.gz WFECFTXNQIEJHZ-WCQYABFASA-N 1 3 249.358 1.507 20 0 BDADHO CCc1ncc(CN2CC[C@H](C[NH3+])[C@H](C)C2)o1 ZINC000923493769 644470348 /nfs/dbraw/zinc/47/03/48/644470348.db2.gz VEKRNWSREHVWKS-GHMZBOCLSA-N 1 3 237.347 1.654 20 0 BDADHO Cc1cnc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923500858 644475155 /nfs/dbraw/zinc/47/51/55/644475155.db2.gz PPXJUXGMZIOESH-PWSUYJOCSA-N 1 3 234.347 1.202 20 0 BDADHO [NH3+]C[C@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000088103060 644509606 /nfs/dbraw/zinc/50/96/06/644509606.db2.gz MNQGGGVWZRCXOS-CYBMUJFWSA-N 1 3 246.354 1.445 20 0 BDADHO CN1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000093452817 644690884 /nfs/dbraw/zinc/69/08/84/644690884.db2.gz VOVQYJIHGROAPL-RFQIPJPRSA-N 1 3 237.391 1.201 20 0 BDADHO c1cnn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452815 644692432 /nfs/dbraw/zinc/69/24/32/644692432.db2.gz LMZKQSRGHPFMTO-MCIONIFRSA-N 1 3 248.374 1.393 20 0 BDADHO CN1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000250646972 644773234 /nfs/dbraw/zinc/77/32/34/644773234.db2.gz VOVQYJIHGROAPL-IGQOVBAYSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C(C)(C)CO ZINC000926751989 645401897 /nfs/dbraw/zinc/40/18/97/645401897.db2.gz BWDAUVRIPRBPCH-OLZOCXBDSA-N 1 3 242.407 1.715 20 0 BDADHO COCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925494192 645732151 /nfs/dbraw/zinc/73/21/51/645732151.db2.gz IZABAMKFXIHEMT-ZIAGYGMSSA-N 1 3 240.391 1.781 20 0 BDADHO COCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925494186 645732173 /nfs/dbraw/zinc/73/21/73/645732173.db2.gz IZABAMKFXIHEMT-KGLIPLIRSA-N 1 3 240.391 1.781 20 0 BDADHO CCC1CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925487629 646296452 /nfs/dbraw/zinc/29/64/52/646296452.db2.gz MVENIBXHGTWXOW-JXQTWKCFSA-N 1 3 240.391 1.781 20 0 BDADHO COCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925489914 646299891 /nfs/dbraw/zinc/29/98/91/646299891.db2.gz CUBJQVKHIBAUDJ-WOPDTQHZSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H](O)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925499033 646303383 /nfs/dbraw/zinc/30/33/83/646303383.db2.gz LRSMJBRUWMAUNR-WYUUTHIRSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@@H](O)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925499033 646303387 /nfs/dbraw/zinc/30/33/87/646303387.db2.gz LRSMJBRUWMAUNR-WYUUTHIRSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](O)CC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925499622 646303530 /nfs/dbraw/zinc/30/35/30/646303530.db2.gz RLZMDCBZYXVGCF-UBHSHLNASA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2(C)C)CN1C1CC1 ZINC000925542190 646324443 /nfs/dbraw/zinc/32/44/43/646324443.db2.gz NZMZVCXGVNYZIW-NQBHXWOUSA-N 1 3 237.391 1.342 20 0 BDADHO CC1CCN(CCN[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925548113 646326090 /nfs/dbraw/zinc/32/60/90/646326090.db2.gz QTOOHXRPZYZONO-ZDUSSCGKSA-N 1 3 239.407 1.448 20 0 BDADHO CC1CCN(CCN[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925548111 646327685 /nfs/dbraw/zinc/32/76/85/646327685.db2.gz QTOOHXRPZYZONO-CYBMUJFWSA-N 1 3 239.407 1.448 20 0 BDADHO Cc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925573246 646341516 /nfs/dbraw/zinc/34/15/16/646341516.db2.gz NIWJXHUTAHPWLL-ZIAGYGMSSA-N 1 3 245.370 1.792 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCNC12CCC2)C1CC1 ZINC000925584279 646347387 /nfs/dbraw/zinc/34/73/87/646347387.db2.gz KHJPQOTYFNFSLG-ZYHUDNBSSA-N 1 3 208.349 1.907 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000929842875 646355969 /nfs/dbraw/zinc/35/59/69/646355969.db2.gz DYPYUUZPRMEATO-TZMCWYRMSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000929842875 646355973 /nfs/dbraw/zinc/35/59/73/646355973.db2.gz DYPYUUZPRMEATO-TZMCWYRMSA-N 1 3 238.375 1.582 20 0 BDADHO OCC1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925612887 646363217 /nfs/dbraw/zinc/36/32/17/646363217.db2.gz VUJOJSWPPTVNAQ-BPCQOVAHSA-N 1 3 238.375 1.412 20 0 BDADHO C[C@@H](O)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925629290 646373340 /nfs/dbraw/zinc/37/33/40/646373340.db2.gz IPBKKDKOVLQIOX-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](O)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925629290 646373344 /nfs/dbraw/zinc/37/33/44/646373344.db2.gz IPBKKDKOVLQIOX-RTXFEEFZSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925630048 646374599 /nfs/dbraw/zinc/37/45/99/646374599.db2.gz PYDWSHOPJKOGHM-NWDGAFQWSA-N 1 3 226.364 1.269 20 0 BDADHO CC[C@@H](CO)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925643668 646383810 /nfs/dbraw/zinc/38/38/10/646383810.db2.gz GYVZRAMNGYGLDT-IHRRRGAJSA-N 1 3 240.391 1.515 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCOC2CC2)[C@@H](C)C1 ZINC000929998099 646389434 /nfs/dbraw/zinc/38/94/34/646389434.db2.gz BRKIODGYLBLTSR-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCOC2CC2)[C@@H](C)C1 ZINC000929998099 646389438 /nfs/dbraw/zinc/38/94/38/646389438.db2.gz BRKIODGYLBLTSR-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H](O)CCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925657845 646391182 /nfs/dbraw/zinc/39/11/82/646391182.db2.gz QAVDYTYXKFYPFR-VOAKCMCISA-N 1 3 240.391 1.514 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCCOC1)[NH2+]2 ZINC000925667704 646398951 /nfs/dbraw/zinc/39/89/51/646398951.db2.gz DYCPQVFOXOROTN-KIJLLGNVSA-N 1 3 224.348 1.284 20 0 BDADHO FC1(F)CC(C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925672596 646402074 /nfs/dbraw/zinc/40/20/74/646402074.db2.gz IJSBAWAMBZGNES-JTQLQIEISA-N 1 3 230.302 1.906 20 0 BDADHO C(C[NH2+][C@H]1CCNC12CCC2)C[C@@H]1CCOC1 ZINC000925687225 646413451 /nfs/dbraw/zinc/41/34/51/646413451.db2.gz GLIYOLTXSURJQB-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925691708 646418130 /nfs/dbraw/zinc/41/81/30/646418130.db2.gz IOSKBTZDDZYBLG-KXNHARMFSA-N 1 3 224.348 1.413 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925704703 646428957 /nfs/dbraw/zinc/42/89/57/646428957.db2.gz JHSGHXRUDBRINS-LBPRGKRZSA-N 1 3 238.375 1.677 20 0 BDADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC/C=C/CO)C1 ZINC000925710358 646434065 /nfs/dbraw/zinc/43/40/65/646434065.db2.gz WTQMKBNMIKBNEC-YIZUVKHSSA-N 1 3 212.337 1.031 20 0 BDADHO C[C@H]1C[C@H](CN[C@H]2C[NH2+]CCOC2)C[C@@H](C)C1 ZINC000925709549 646435240 /nfs/dbraw/zinc/43/52/40/646435240.db2.gz VDKDAGGMUPUALL-DGAVXFQQSA-N 1 3 240.391 1.637 20 0 BDADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711818 646435681 /nfs/dbraw/zinc/43/56/81/646435681.db2.gz SHXQHORKBVTBDF-GHMZBOCLSA-N 1 3 222.336 1.593 20 0 BDADHO C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CN1 ZINC000925717863 646441975 /nfs/dbraw/zinc/44/19/75/646441975.db2.gz IKDLSDAPGWVDFN-UMSGYPCISA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccns1 ZINC000925730744 646454838 /nfs/dbraw/zinc/45/48/38/646454838.db2.gz IHDFRYFICFIQIB-BDAKNGLRSA-N 1 3 213.350 1.401 20 0 BDADHO Nc1ccnc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000925767412 646468435 /nfs/dbraw/zinc/46/84/35/646468435.db2.gz OLROJDOBNHVUOA-MFKMUULPSA-N 1 3 234.347 1.271 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCO1 ZINC000925781583 646476854 /nfs/dbraw/zinc/47/68/54/646476854.db2.gz IPJUMMLGFYJGSW-AXFHLTTASA-N 1 3 248.317 1.388 20 0 BDADHO COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925785602 646481011 /nfs/dbraw/zinc/48/10/11/646481011.db2.gz PYOPGUFSUZPAAM-FDYHWXHSSA-N 1 3 226.364 1.389 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925785609 646481480 /nfs/dbraw/zinc/48/14/80/646481480.db2.gz PYOPGUFSUZPAAM-YVECIDJPSA-N 1 3 226.364 1.389 20 0 BDADHO Cc1ccc(NCCN[C@@H](C)C[C@H](C)[NH3+])nc1 ZINC000925877042 646528067 /nfs/dbraw/zinc/52/80/67/646528067.db2.gz DNDYQAUNYHJACX-RYUDHWBXSA-N 1 3 236.363 1.517 20 0 BDADHO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CN2C[C@@H]1CCC2 ZINC000926450538 646641632 /nfs/dbraw/zinc/64/16/32/646641632.db2.gz OFVUCVODORSVRT-HZSPNIEDSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)CN(C)C ZINC000926468244 646652553 /nfs/dbraw/zinc/65/25/53/646652553.db2.gz ASMABZFKGWFJJQ-MRFVTOPCSA-N 1 3 240.391 1.731 20 0 BDADHO Cc1conc1CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723894490 711544350 /nfs/dbraw/zinc/54/43/50/711544350.db2.gz LSPDQAJAWMDWET-MWLCHTKSSA-N 1 3 223.320 1.400 20 0 BDADHO C[C@H](NC[C@H]1CC2(CCC2)CO1)[C@@H]1CC[NH2+]C1 ZINC000925773981 711745667 /nfs/dbraw/zinc/74/56/67/711745667.db2.gz QTNSXAAHGNNPDG-YNEHKIRRSA-N 1 3 238.375 1.533 20 0 BDADHO COC1CC(C[N@H+]2CCC[C@@H](C)[C@H]2CCN)C1 ZINC000703866779 712092025 /nfs/dbraw/zinc/09/20/25/712092025.db2.gz OTXNXOXRTOGFQK-BLYZHGLHSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H](CCN[C@@H](C)[C@H]1CCCCO1)[NH+](C)C ZINC000705959902 712138355 /nfs/dbraw/zinc/13/83/55/712138355.db2.gz MPKVKBKLHHIHQC-FRRDWIJNSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708325833 712186944 /nfs/dbraw/zinc/18/69/44/712186944.db2.gz YESNWMVNFSIIAR-UTUOFQBUSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1[NH3+] ZINC000709695121 712216024 /nfs/dbraw/zinc/21/60/24/712216024.db2.gz BYHNRJXVVNKKOP-GRYCIOLGSA-N 1 3 240.391 1.859 20 0 BDADHO CCN1CC[C@H](N(C)CCCCCC[NH3+])C1=O ZINC000710804593 712257269 /nfs/dbraw/zinc/25/72/69/712257269.db2.gz NKTLVBQWUSEOGS-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCCCCC1 ZINC000383671239 712383911 /nfs/dbraw/zinc/38/39/11/712383911.db2.gz OGDIYBWNRDZEAW-AWEZNQCLSA-N 1 3 242.407 1.954 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCCCCC1 ZINC000383671239 712383912 /nfs/dbraw/zinc/38/39/12/712383912.db2.gz OGDIYBWNRDZEAW-AWEZNQCLSA-N 1 3 242.407 1.954 20 0 BDADHO CC1(C)CCC[C@H](CN2CC[C@@H](C[NH3+])C2)O1 ZINC000714375667 712484773 /nfs/dbraw/zinc/48/47/73/712484773.db2.gz VWSGQDFUIHRVGP-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1OCCN(CCCCCC[NH3+])[C@H]1C ZINC000380422782 712900626 /nfs/dbraw/zinc/90/06/26/712900626.db2.gz DBSHMNQOHITQCW-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C[C@H]1C ZINC000382945707 710976640 /nfs/dbraw/zinc/97/66/40/710976640.db2.gz SCJCZKIDQQJNFZ-MGPQQGTHSA-N 1 3 240.391 1.421 20 0 BDADHO CC1CCN(CCN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396602871 711358594 /nfs/dbraw/zinc/35/85/94/711358594.db2.gz NYNLALBWAKTKMN-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO CCSCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396688164 711365209 /nfs/dbraw/zinc/36/52/09/711365209.db2.gz YBJRIPNRBYGGDZ-MNOVXSKESA-N 1 3 216.394 1.860 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCn1ccnc1 ZINC000396723699 711368138 /nfs/dbraw/zinc/36/81/38/711368138.db2.gz UXWYUYQHLGPYFC-NEPJUHHUSA-N 1 3 222.336 1.003 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H](CCO)C1CC1 ZINC000381431304 710636233 /nfs/dbraw/zinc/63/62/33/710636233.db2.gz BPEDKULMRUURPF-STQMWFEESA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[NH+]1CCN(c2ccnc(CO)c2)CC1 ZINC000040878511 711483169 /nfs/dbraw/zinc/48/31/69/711483169.db2.gz ZDGOPISFINDXDW-UHFFFAOYSA-N 1 3 235.331 1.104 20 0 BDADHO C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C1CNC1 ZINC000723638327 711528918 /nfs/dbraw/zinc/52/89/18/711528918.db2.gz WKOMUAIPEFOPFO-FRRDWIJNSA-N 1 3 224.348 1.001 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3c[nH]cn3)CC2)CC1 ZINC000724776219 711611579 /nfs/dbraw/zinc/61/15/79/711611579.db2.gz XXHXSYQVEIGLTF-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO CSCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396545385 711701562 /nfs/dbraw/zinc/70/15/62/711701562.db2.gz DPPICZYYTSIWLM-UWVGGRQHSA-N 1 3 202.367 1.470 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)c2ccccc2)C1 ZINC000222920445 711753933 /nfs/dbraw/zinc/75/39/33/711753933.db2.gz TVUGDJLBDSZHKU-MGPQQGTHSA-N 1 3 234.343 1.580 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000229066298 711837342 /nfs/dbraw/zinc/83/73/42/711837342.db2.gz JSDQYWJUGFUARG-JQWIXIFHSA-N 1 3 249.358 1.512 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@H](CN)C1)C(C)C ZINC000721916467 711918900 /nfs/dbraw/zinc/91/89/00/711918900.db2.gz XMKTYMMDOILBNG-OLZOCXBDSA-N 1 3 228.380 1.576 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@H](CN)C1)C(C)C ZINC000721916467 711918902 /nfs/dbraw/zinc/91/89/02/711918902.db2.gz XMKTYMMDOILBNG-OLZOCXBDSA-N 1 3 228.380 1.576 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921622775 711921596 /nfs/dbraw/zinc/92/15/96/711921596.db2.gz BIJSWDYFUFPPNO-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO CC[N@H+]1CCC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921622775 711921597 /nfs/dbraw/zinc/92/15/97/711921597.db2.gz BIJSWDYFUFPPNO-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921622775 711921598 /nfs/dbraw/zinc/92/15/98/711921598.db2.gz BIJSWDYFUFPPNO-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO COC[C@H](C)C[NH2+]CC[C@@H](C)N(C)C ZINC000700489452 711994367 /nfs/dbraw/zinc/99/43/67/711994367.db2.gz RMWISZVAAXLOPZ-GHMZBOCLSA-N 1 3 202.342 1.199 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000701017738 712011966 /nfs/dbraw/zinc/01/19/66/712011966.db2.gz QMJYEKWIDHGKDH-ASHHDVGLSA-N 1 3 238.375 1.658 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(CC[C@H]1CCCO1)C2 ZINC000702053738 712037293 /nfs/dbraw/zinc/03/72/93/712037293.db2.gz ONVNHZIVFDLGBX-YNEHKIRRSA-N 1 3 224.348 1.097 20 0 BDADHO COC1CC(C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)C1 ZINC000703866776 712091422 /nfs/dbraw/zinc/09/14/22/712091422.db2.gz OTXNXOXRTOGFQK-ABXWRUBCSA-N 1 3 240.391 1.861 20 0 BDADHO COC1CC(C[N@H+]2CCC[C@H](C)[C@@H]2CCN)C1 ZINC000703866776 712091423 /nfs/dbraw/zinc/09/14/23/712091423.db2.gz OTXNXOXRTOGFQK-ABXWRUBCSA-N 1 3 240.391 1.861 20 0 BDADHO COC1CC(C[N@@H+]2CCC[C@@H](C)[C@H]2CCN)C1 ZINC000703866779 712092024 /nfs/dbraw/zinc/09/20/24/712092024.db2.gz OTXNXOXRTOGFQK-BLYZHGLHSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H](O)CCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705667209 712134867 /nfs/dbraw/zinc/13/48/67/712134867.db2.gz IKKSPOONLWTSAF-IHRRRGAJSA-N 1 3 240.391 1.421 20 0 BDADHO CO[C@@H](CN1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000708079662 712181299 /nfs/dbraw/zinc/18/12/99/712181299.db2.gz HQWKNAMIYXMLGD-YUELXQCFSA-N 1 3 248.370 1.901 20 0 BDADHO C[C@H](NCC1CC[NH+](C)CC1)c1cn(C)cn1 ZINC000710032930 712243111 /nfs/dbraw/zinc/24/31/11/712243111.db2.gz HTQYZPSCNFXFHN-NSHDSACASA-N 1 3 236.363 1.413 20 0 BDADHO CCc1cc(NC[C@H]2CCN2CC)cc[nH+]1 ZINC000712582916 712434203 /nfs/dbraw/zinc/43/42/03/712434203.db2.gz RUPOZBPNROYFLB-CYBMUJFWSA-N 1 3 219.332 1.572 20 0 BDADHO CCCN1CCC([NH2+]C[C@H]2CCN2CC)CC1 ZINC000712584874 712434282 /nfs/dbraw/zinc/43/42/82/712434282.db2.gz CEZDBBPLLRRODM-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO CCN1CC[C@@H]1C[NH2+]C1CCN(CC)CC1 ZINC000712555778 712444784 /nfs/dbraw/zinc/44/47/84/712444784.db2.gz HHSXXLMKWIWZFO-CYBMUJFWSA-N 1 3 225.380 1.155 20 0 BDADHO CC1(C)CO[C@@H](C[N@@H+]2CCNCCC2(C)C)C1 ZINC000712577205 712448015 /nfs/dbraw/zinc/44/80/15/712448015.db2.gz NWFUPXGKFNVIEV-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)CO[C@@H](C[N@H+]2CCNCCC2(C)C)C1 ZINC000712577205 712448016 /nfs/dbraw/zinc/44/80/16/712448016.db2.gz NWFUPXGKFNVIEV-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO C=C/C=C\CCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000713751703 712471451 /nfs/dbraw/zinc/47/14/51/712471451.db2.gz ZXMXYLCVSNPBKW-VQTKUKTRSA-N 1 3 235.375 1.098 20 0 BDADHO CO[C@H]1C[C@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000714722029 712496393 /nfs/dbraw/zinc/49/63/93/712496393.db2.gz HYHXPJGKRGDGJE-LPWJVIDDSA-N 1 3 226.364 1.532 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@@H](NCc2cc[nH]c(=O)c2)C1 ZINC000715217469 712514119 /nfs/dbraw/zinc/51/41/19/712514119.db2.gz HXTIMBWDOPAQKC-OLZOCXBDSA-N 1 3 249.358 1.750 20 0 BDADHO Cc1[nH]nc(CNC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000716462337 712562961 /nfs/dbraw/zinc/56/29/61/712562961.db2.gz GJORITMTJUTHOT-LBPRGKRZSA-N 1 3 236.363 1.458 20 0 BDADHO Cc1[nH]nc(CNC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000716462337 712562962 /nfs/dbraw/zinc/56/29/62/712562962.db2.gz GJORITMTJUTHOT-LBPRGKRZSA-N 1 3 236.363 1.458 20 0 BDADHO Cc1n[nH]c(C[NH2+]C[C@@H]2CCCN(C)C2)c1C ZINC000716462337 712562963 /nfs/dbraw/zinc/56/29/63/712562963.db2.gz GJORITMTJUTHOT-LBPRGKRZSA-N 1 3 236.363 1.458 20 0 BDADHO Fc1cccc(CC[NH2+]C2CCNCC2)c1 ZINC000038040864 712801134 /nfs/dbraw/zinc/80/11/34/712801134.db2.gz XCUIIFDYXWPFGA-UHFFFAOYSA-N 1 3 222.307 1.710 20 0 BDADHO Fc1cccc(CCNC2CC[NH2+]CC2)c1 ZINC000038040864 712801135 /nfs/dbraw/zinc/80/11/35/712801135.db2.gz XCUIIFDYXWPFGA-UHFFFAOYSA-N 1 3 222.307 1.710 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649990 712820946 /nfs/dbraw/zinc/82/09/46/712820946.db2.gz WKSJGIMEMSQEHL-TZMCWYRMSA-N 1 3 239.407 1.541 20 0 BDADHO CCO[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000706523798 957949062 /nfs/dbraw/zinc/94/90/62/957949062.db2.gz CZSJTFPKSHHWML-ZGVCCVRISA-N 1 3 224.348 1.380 20 0 BDADHO Cc1nc(C)c(CN2CCC(C[NH3+])CC2)[nH]1 ZINC000724788690 959519258 /nfs/dbraw/zinc/51/92/58/959519258.db2.gz RCSJLERUVWAWIM-UHFFFAOYSA-N 1 3 222.336 1.197 20 0 BDADHO N[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000708503755 959526752 /nfs/dbraw/zinc/52/67/52/959526752.db2.gz KUWVNMXKWFIVFK-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO N[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000708503755 959526768 /nfs/dbraw/zinc/52/67/68/959526768.db2.gz KUWVNMXKWFIVFK-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO CC1(O)CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709484382 960618260 /nfs/dbraw/zinc/61/82/60/960618260.db2.gz ZFXLMJXNLCRYIM-FOSCPWQOSA-N 1 3 224.348 1.116 20 0 BDADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000709486156 960628622 /nfs/dbraw/zinc/62/86/22/960628622.db2.gz DUFHCXCQCQRQHC-UVYIHGJDSA-N 1 3 224.348 1.427 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)CCO1 ZINC001168093785 963697874 /nfs/dbraw/zinc/69/78/74/963697874.db2.gz XSROZSUXWIDVPT-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@](C)(C(F)F)O1 ZINC000698774932 965496677 /nfs/dbraw/zinc/49/66/77/965496677.db2.gz MLTLMTXRILUAKD-SVDPJWKOSA-N 1 3 248.317 1.468 20 0 BDADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207280294 968712132 /nfs/dbraw/zinc/71/21/32/968712132.db2.gz UBODMWRUWNNTTH-OLZOCXBDSA-N 1 3 240.391 1.685 20 0 BDADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001207280294 968712137 /nfs/dbraw/zinc/71/21/37/968712137.db2.gz UBODMWRUWNNTTH-OLZOCXBDSA-N 1 3 240.391 1.685 20 0 BDADHO Nc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154973854 968823489 /nfs/dbraw/zinc/82/34/89/968823489.db2.gz AJXWXNJMEAISBR-RKDXNWHRSA-N 1 3 206.293 1.346 20 0 BDADHO C[C@H]1CN(C[C@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605094 969155057 /nfs/dbraw/zinc/15/50/57/969155057.db2.gz YMZJTZUPPOWDEU-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1CN(C[C@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605094 969155062 /nfs/dbraw/zinc/15/50/62/969155062.db2.gz YMZJTZUPPOWDEU-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C(C)(C)CC1CC1 ZINC001253410580 969165385 /nfs/dbraw/zinc/16/53/85/969165385.db2.gz MLMQJNYDXLFGIX-GFCCVEGCSA-N 1 3 242.407 1.904 20 0 BDADHO CCN1CCN(C[C@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208612573 969172494 /nfs/dbraw/zinc/17/24/94/969172494.db2.gz CAIRXDUZWIAGQM-KGLIPLIRSA-N 1 3 239.407 1.354 20 0 BDADHO CCN1CCN(C[C@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208612573 969172498 /nfs/dbraw/zinc/17/24/98/969172498.db2.gz CAIRXDUZWIAGQM-KGLIPLIRSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@H](N)c1nccn1[C@H]1CCC[N@@H+](C)CC1 ZINC001254498392 969662044 /nfs/dbraw/zinc/66/20/44/969662044.db2.gz YKUDECFVGPDMFU-QWRGUYRKSA-N 1 3 222.336 1.560 20 0 BDADHO CN1CCC[C@](C)([NH2+][C@H]2CCCN(C)CC2)C1 ZINC001254512772 969682164 /nfs/dbraw/zinc/68/21/64/969682164.db2.gz RMAKGTIULXNLCM-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO CN(C)[C@H]1CC[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254516328 969693203 /nfs/dbraw/zinc/69/32/03/969693203.db2.gz LWMDVDJUEAXQNT-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)[C@H]1CC[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001254516328 969693211 /nfs/dbraw/zinc/69/32/11/969693211.db2.gz LWMDVDJUEAXQNT-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCSC3)C[C@H]2C1 ZINC001255292673 970051142 /nfs/dbraw/zinc/05/11/42/970051142.db2.gz HULZVRPQVCRDOR-JHJVBQTASA-N 1 3 240.416 1.766 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC001255942071 970574525 /nfs/dbraw/zinc/57/45/25/970574525.db2.gz BTZLDEIDDZQBCT-UPJWGTAASA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC001255945563 970575661 /nfs/dbraw/zinc/57/56/61/970575661.db2.gz GNEAUQMHUOSJLH-HZSPNIEDSA-N 1 3 242.407 2.000 20 0 BDADHO CCC[C@H](CO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255947792 970580216 /nfs/dbraw/zinc/58/02/16/970580216.db2.gz WQCYTAGQWZSYMP-QWHCGFSZSA-N 1 3 230.396 1.857 20 0 BDADHO CCC[C@H](CO)N[C@@H](C)CC[NH+](CC)CC ZINC001255947792 970580225 /nfs/dbraw/zinc/58/02/25/970580225.db2.gz WQCYTAGQWZSYMP-QWHCGFSZSA-N 1 3 230.396 1.857 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001255946335 970581876 /nfs/dbraw/zinc/58/18/76/970581876.db2.gz SLLGWNDVBIVSOK-JHJVBQTASA-N 1 3 228.380 1.467 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)CC(=O)OC ZINC001255953183 970587501 /nfs/dbraw/zinc/58/75/01/970587501.db2.gz YJZBZEHDIZJXLD-RYUDHWBXSA-N 1 3 244.379 1.648 20 0 BDADHO CCN1CCN([C@H](C)CC[NH+](CC)CC)CC1 ZINC001255955959 970598552 /nfs/dbraw/zinc/59/85/52/970598552.db2.gz XXIFNPATSBSMDU-CQSZACIVSA-N 1 3 241.423 1.744 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@](C)(CO)C1 ZINC001255956509 970597838 /nfs/dbraw/zinc/59/78/38/970597838.db2.gz KUSNERYUAWSEKL-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@](C)(CO)C1 ZINC001255956509 970597842 /nfs/dbraw/zinc/59/78/42/970597842.db2.gz KUSNERYUAWSEKL-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO C[NH+]1CCC(N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001256208324 970714059 /nfs/dbraw/zinc/71/40/59/970714059.db2.gz FIMYHEAGRMLWSM-RYUDHWBXSA-N 1 3 224.348 1.049 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC001332980856 975353566 /nfs/dbraw/zinc/35/35/66/975353566.db2.gz IXTRMRDCJCYOFR-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CON1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000323088286 975533182 /nfs/dbraw/zinc/53/31/82/975533182.db2.gz XBWHEULEMYUKHO-UHFFFAOYSA-N 1 3 241.379 1.088 20 0 BDADHO CN(C)c1ccnc(C=C2CC[NH2+]CC2)c1 ZINC001240873913 981914205 /nfs/dbraw/zinc/91/42/05/981914205.db2.gz LFOGMOVITUQMEL-UHFFFAOYSA-N 1 3 217.316 1.914 20 0 BDADHO CCCC[C@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001252093623 983531878 /nfs/dbraw/zinc/53/18/78/983531878.db2.gz IVHSPAUFAKNGMB-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005047 983813933 /nfs/dbraw/zinc/81/39/33/983813933.db2.gz UPBDZZKTECLAOT-BJDJZHNGSA-N 1 3 241.379 1.136 20 0 BDADHO C[NH2+][C@@H](C)CCN[C@H](COC)C(C)C ZINC001327840659 972754817 /nfs/dbraw/zinc/75/48/17/972754817.db2.gz RGDGBMPVSNYLKY-WDEREUQCSA-N 1 3 202.342 1.245 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@@H]2CCCN(C)C2)C1 ZINC001246559562 972789075 /nfs/dbraw/zinc/78/90/75/972789075.db2.gz RYYUDJJMEARDKW-JHJVBQTASA-N 1 3 225.380 1.140 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@@H]2CCCN(C)C2)C1 ZINC001246559562 972789090 /nfs/dbraw/zinc/78/90/90/972789090.db2.gz RYYUDJJMEARDKW-JHJVBQTASA-N 1 3 225.380 1.140 20 0 BDADHO C([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256675876 970912103 /nfs/dbraw/zinc/91/21/03/970912103.db2.gz LXBHKIZVBZNSKE-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)[NH+]1CCC(n2ccnc2[C@H](C)N)CC1 ZINC001257202066 971123789 /nfs/dbraw/zinc/12/37/89/971123789.db2.gz POBQIQNWXNOTSN-NSHDSACASA-N 1 3 236.363 1.948 20 0 BDADHO CC(C)[NH+]1CCC(N2CCC[C@H](CO)C2)CC1 ZINC001257213620 971126074 /nfs/dbraw/zinc/12/60/74/971126074.db2.gz RNCHZNDQDXFIIM-ZDUSSCGKSA-N 1 3 240.391 1.564 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCSC(F)(F)F ZINC000404758080 971179086 /nfs/dbraw/zinc/17/90/86/971179086.db2.gz GRLRNTDNPPHWHF-RQJHMYQMSA-N 1 3 242.310 1.955 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCSC(F)(F)F ZINC000404758080 971179098 /nfs/dbraw/zinc/17/90/98/971179098.db2.gz GRLRNTDNPPHWHF-RQJHMYQMSA-N 1 3 242.310 1.955 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCc2nccs2)C12CCC2 ZINC000405228039 971211871 /nfs/dbraw/zinc/21/18/71/971211871.db2.gz FAJDQTMVFFUPGS-VHSXEESVSA-N 1 3 237.372 1.545 20 0 BDADHO CC[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405316515 971233292 /nfs/dbraw/zinc/23/32/92/971233292.db2.gz RRYGEXINEUJMOP-VWYCJHECSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)OC ZINC000405316515 971233298 /nfs/dbraw/zinc/23/32/98/971233298.db2.gz RRYGEXINEUJMOP-VWYCJHECSA-N 1 3 212.337 1.271 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336926 971235249 /nfs/dbraw/zinc/23/52/49/971235249.db2.gz FVJKFQDUYRYZDC-NEPJUHHUSA-N 1 3 238.375 1.541 20 0 BDADHO CCC[N@H+](CCCN)[C@H]1CCCSC1 ZINC001257657355 971460027 /nfs/dbraw/zinc/46/00/27/971460027.db2.gz BXKYBSRPAAOSCT-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CCC[N@@H+](CCCN)[C@H]1CCCSC1 ZINC001257657355 971460036 /nfs/dbraw/zinc/46/00/36/971460036.db2.gz BXKYBSRPAAOSCT-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCO2)CC1 ZINC001258002853 971552757 /nfs/dbraw/zinc/55/27/57/971552757.db2.gz JBFSBIVOUXUQKI-ZDUSSCGKSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1CCCOCC1 ZINC001170776842 971804188 /nfs/dbraw/zinc/80/41/88/971804188.db2.gz VYNPMDMUFUXPNL-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1CCCOCC1 ZINC001170776842 971804194 /nfs/dbraw/zinc/80/41/94/971804194.db2.gz VYNPMDMUFUXPNL-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1CNC2 ZINC001218483727 971830173 /nfs/dbraw/zinc/83/01/73/971830173.db2.gz APANNRGQPSXMJC-YGRLFVJLSA-N 1 3 232.327 1.667 20 0 BDADHO CC[C@H](C)C[NH2+]CCNC(=O)CN(CC)CC ZINC001135510816 971907637 /nfs/dbraw/zinc/90/76/37/971907637.db2.gz GCCTUNQNZPOKPT-LBPRGKRZSA-N 1 3 243.395 1.080 20 0 BDADHO C=Cc1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218840867 971951791 /nfs/dbraw/zinc/95/17/91/971951791.db2.gz HHIHODFOXIJAIU-LBPRGKRZSA-N 1 3 233.315 1.334 20 0 BDADHO C[C@@]1(C(=O)Nc2cccc3c2CNC3)CC[NH2+]C1 ZINC001218992758 971971005 /nfs/dbraw/zinc/97/10/05/971971005.db2.gz DUQIDMUODBXDDE-CQSZACIVSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218997436 971971493 /nfs/dbraw/zinc/97/14/93/971971493.db2.gz UNQGAJXUJITZQA-KOLCDFICSA-N 1 3 233.315 1.049 20 0 BDADHO CCc1cc2cc(N[C@@H](N)CCC[NH3+])cnc2[nH]1 ZINC001170900758 972068133 /nfs/dbraw/zinc/06/81/33/972068133.db2.gz XVPHSFIECZFMNX-GFCCVEGCSA-N 1 3 247.346 1.561 20 0 BDADHO Cc1c2[nH]ccc2ccc1N[C@@H](N)CCC[NH3+] ZINC001170902160 972075932 /nfs/dbraw/zinc/07/59/32/972075932.db2.gz BRAMAAWBBFEGNA-GFCCVEGCSA-N 1 3 232.331 1.912 20 0 BDADHO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCCCNC1 ZINC001246089909 972142160 /nfs/dbraw/zinc/14/21/60/972142160.db2.gz HREBXWNLHXCXHK-RYUDHWBXSA-N 1 3 222.332 1.942 20 0 BDADHO C[C@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086017 972139669 /nfs/dbraw/zinc/13/96/69/972139669.db2.gz YSXJVMLXCDEMBV-QNWHQSFQSA-N 1 3 244.354 1.217 20 0 BDADHO CC[C@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246085235 972140767 /nfs/dbraw/zinc/14/07/67/972140767.db2.gz QCRWSHQDQCBANL-RNJOBUHISA-N 1 3 226.364 1.674 20 0 BDADHO CC1(C)CC[C@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246133509 972192195 /nfs/dbraw/zinc/19/21/95/972192195.db2.gz OCPIDJTZQMYZRG-QWRGUYRKSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CC[C@@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246133507 972191486 /nfs/dbraw/zinc/19/14/86/972191486.db2.gz OCPIDJTZQMYZRG-GHMZBOCLSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCc2ccncc2)CCN1 ZINC001246176255 972206217 /nfs/dbraw/zinc/20/62/17/972206217.db2.gz NUQDSWOGAVPHQO-TZMCWYRMSA-N 1 3 233.359 1.744 20 0 BDADHO Fc1cccc2c1C[C@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246198576 972214597 /nfs/dbraw/zinc/21/45/97/972214597.db2.gz QJHXVWIWNGJFFS-DGCLKSJQSA-N 1 3 248.345 1.882 20 0 BDADHO CN1CCC[C@H](C[NH+]2CC3(C2)CCCOC3)C1 ZINC001208608416 957090461 /nfs/dbraw/zinc/09/04/61/957090461.db2.gz SJKCPOXKNDUBOR-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO C[C@@H](C[N@H+]1C[C@H]2CN(C)C[C@H]2C1)C(F)(F)F ZINC001208905307 957237640 /nfs/dbraw/zinc/23/76/40/957237640.db2.gz MZTHCBCUQOWNQB-LPEHRKFASA-N 1 3 236.281 1.678 20 0 BDADHO C[C@@H](C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1)C(F)(F)F ZINC001208905307 957237662 /nfs/dbraw/zinc/23/76/62/957237662.db2.gz MZTHCBCUQOWNQB-LPEHRKFASA-N 1 3 236.281 1.678 20 0 BDADHO CCOC(=O)[C@H]1CCC[C@@H](NCC[C@H](C)[NH3+])C1 ZINC001246305134 972268350 /nfs/dbraw/zinc/26/83/50/972268350.db2.gz NNOCJSHJGLGDGF-SDDRHHMPSA-N 1 3 242.363 1.435 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1cccc(OC)c1 ZINC001246313716 972276044 /nfs/dbraw/zinc/27/60/44/972276044.db2.gz KKIKGDMNJCXTIF-WCQYABFASA-N 1 3 236.359 1.953 20 0 BDADHO C[N@@H+]1CC[C@H](Nc2c[nH]cc3ccnc2-3)C1 ZINC001167278576 957623519 /nfs/dbraw/zinc/62/35/19/957623519.db2.gz NBEWNRLZMZFWCH-JTQLQIEISA-N 1 3 216.288 1.679 20 0 BDADHO C[N@H+]1CC[C@H](Nc2c[nH]cc3ccnc2-3)C1 ZINC001167278576 957623525 /nfs/dbraw/zinc/62/35/25/957623525.db2.gz NBEWNRLZMZFWCH-JTQLQIEISA-N 1 3 216.288 1.679 20 0 BDADHO c1cc(C[NH2+][C@@H]2CCCNC2)cc2c1NCC2 ZINC001246476357 972348772 /nfs/dbraw/zinc/34/87/72/972348772.db2.gz ZKTNRBFCGMHHPM-CYBMUJFWSA-N 1 3 231.343 1.496 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCCCN2C)C[NH2+]1 ZINC000399008864 958480757 /nfs/dbraw/zinc/48/07/57/958480757.db2.gz BJEIVOYMMXXVRX-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO CC1(C)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000382670361 958714262 /nfs/dbraw/zinc/71/42/62/958714262.db2.gz QNVAZDFJQUXMCQ-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cscn1 ZINC000693560035 958802038 /nfs/dbraw/zinc/80/20/38/958802038.db2.gz RQUNYUPXFBDVLK-HLTSFMKQSA-N 1 3 211.334 1.531 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1CCCNCC1 ZINC001246524357 972387909 /nfs/dbraw/zinc/38/79/09/972387909.db2.gz INCNNPVICALSNN-LBPRGKRZSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1CCCNCC1 ZINC001246524357 972387918 /nfs/dbraw/zinc/38/79/18/972387918.db2.gz INCNNPVICALSNN-LBPRGKRZSA-N 1 3 214.353 1.485 20 0 BDADHO CC1(C)[C@H]([NH2+]CCCCCO)[C@@H]2CCCN[C@@H]21 ZINC000693710794 959219440 /nfs/dbraw/zinc/21/94/40/959219440.db2.gz XJLOKTDKRBSVBB-XQQFMLRXSA-N 1 3 240.391 1.515 20 0 BDADHO COc1cc(CN2CC[C@@H](CC[NH3+])C2)sn1 ZINC000690757795 959224549 /nfs/dbraw/zinc/22/45/49/959224549.db2.gz WNKVABINDOWZRN-SECBINFHSA-N 1 3 241.360 1.322 20 0 BDADHO COC(C)(C)CC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708857183 959927713 /nfs/dbraw/zinc/92/77/13/959927713.db2.gz KPPHAJRQIRDFMO-WDEREUQCSA-N 1 3 214.353 1.328 20 0 BDADHO COC(C)(C)CC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000708857183 959927722 /nfs/dbraw/zinc/92/77/22/959927722.db2.gz KPPHAJRQIRDFMO-WDEREUQCSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]C(C)C ZINC001267827507 960409711 /nfs/dbraw/zinc/40/97/11/960409711.db2.gz KIWWMDGJRBGHGG-VXGBXAGGSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CCN1 ZINC000709448249 960615266 /nfs/dbraw/zinc/61/52/66/960615266.db2.gz LCVDBZASSXOCLA-KXNHARMFSA-N 1 3 208.349 1.715 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CCN1 ZINC000709448249 960615281 /nfs/dbraw/zinc/61/52/81/960615281.db2.gz LCVDBZASSXOCLA-KXNHARMFSA-N 1 3 208.349 1.715 20 0 BDADHO CC[NH+]1CCC(NCC2SCCS2)CC1 ZINC000692805922 960718942 /nfs/dbraw/zinc/71/89/42/960718942.db2.gz HYPMZIIHMLLKBN-UHFFFAOYSA-N 1 3 246.445 1.866 20 0 BDADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)N(C)C ZINC001268092807 961206105 /nfs/dbraw/zinc/20/61/05/961206105.db2.gz FVNGSDORJJCCSF-NWDGAFQWSA-N 1 3 243.395 1.172 20 0 BDADHO CCCN1CCN(c2cc[nH+]cc2CO)CC1 ZINC000126412143 962726604 /nfs/dbraw/zinc/72/66/04/962726604.db2.gz ALVCVKVZACNFEU-UHFFFAOYSA-N 1 3 235.331 1.106 20 0 BDADHO CN(C)c1cccc(N(C)C2CC[NH2+]CC2)n1 ZINC001156171918 963272484 /nfs/dbraw/zinc/27/24/84/963272484.db2.gz HYOMTTATTIDMCU-UHFFFAOYSA-N 1 3 234.347 1.336 20 0 BDADHO CC1(Nc2cccc(N)n2)CC[NH2+]CC1 ZINC001157396808 963593136 /nfs/dbraw/zinc/59/31/36/963593136.db2.gz GTPVCOJSTZJRCT-UHFFFAOYSA-N 1 3 206.293 1.218 20 0 BDADHO CC(C)[N@H+](CCCN)[C@H]1CCO[C@@H](C)C1 ZINC001168073465 963605296 /nfs/dbraw/zinc/60/52/96/963605296.db2.gz CNZYRTWYKWKQBL-RYUDHWBXSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@H]1CCO[C@@H](C)C1 ZINC001168073465 963605303 /nfs/dbraw/zinc/60/53/03/963605303.db2.gz CNZYRTWYKWKQBL-RYUDHWBXSA-N 1 3 214.353 1.613 20 0 BDADHO Nc1ccnc(-n2ccc3c2CC[NH2+]C3)c1 ZINC001157441930 963605575 /nfs/dbraw/zinc/60/55/75/963605575.db2.gz HZAFXJQVELUSGK-UHFFFAOYSA-N 1 3 214.272 1.100 20 0 BDADHO CCC1(Nc2cc(N3CCCC3)ccn2)C[NH2+]C1 ZINC001157784464 963725135 /nfs/dbraw/zinc/72/51/35/963725135.db2.gz CWZSWWGFDKZZMY-UHFFFAOYSA-N 1 3 246.358 1.846 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872145063 963882480 /nfs/dbraw/zinc/88/24/80/963882480.db2.gz NQOZBXAAHJPZHH-XQHKEYJVSA-N 1 3 240.391 1.907 20 0 BDADHO CN(C)c1ccnc(-n2ccc(C[NH3+])c2)c1 ZINC001158763423 963917618 /nfs/dbraw/zinc/91/76/18/963917618.db2.gz DXPGHXVCOAHAFU-UHFFFAOYSA-N 1 3 216.288 1.397 20 0 BDADHO C[C@H](CCN[C@@H]1CCCOC1)[NH+](C)C ZINC000697868663 964597143 /nfs/dbraw/zinc/59/71/43/964597143.db2.gz CKBDQJSXAUQJJZ-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO C[C@@H](CCN[C@@H](C)[C@H]1CCCO1)[NH+](C)C ZINC000697892050 964649632 /nfs/dbraw/zinc/64/96/32/964649632.db2.gz ZJQZVDWINFLJPI-SDDRHHMPSA-N 1 3 214.353 1.484 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N(C)C)CCO1 ZINC000697911254 964676273 /nfs/dbraw/zinc/67/62/73/964676273.db2.gz YQEDWPQXWZFPOU-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)N(C)C ZINC000697908902 964677624 /nfs/dbraw/zinc/67/76/24/964677624.db2.gz NVHXFAXEQJHNIL-VXGBXAGGSA-N 1 3 228.380 1.874 20 0 BDADHO CN(C)c1cccc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162791069 965178178 /nfs/dbraw/zinc/17/81/78/965178178.db2.gz YVGXQOQLLRQGFQ-QJPTWQEYSA-N 1 3 244.342 1.334 20 0 BDADHO N[C@@H]1CC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400726 965204099 /nfs/dbraw/zinc/20/40/99/965204099.db2.gz QHVAZZLAFWRWBU-KGLIPLIRSA-N 1 3 234.318 1.716 20 0 BDADHO N[C@@H]1CC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400726 965204107 /nfs/dbraw/zinc/20/41/07/965204107.db2.gz QHVAZZLAFWRWBU-KGLIPLIRSA-N 1 3 234.318 1.716 20 0 BDADHO C[NH2+]CCN(C)c1nc(C)cc2[nH]ccc21 ZINC001163721194 965537125 /nfs/dbraw/zinc/53/71/25/965537125.db2.gz UPPNLEXCWFDIQG-UHFFFAOYSA-N 1 3 218.304 1.527 20 0 BDADHO CN(C)C1CN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001163933541 965644359 /nfs/dbraw/zinc/64/43/59/965644359.db2.gz IEQRHVLIIYJTIV-UHFFFAOYSA-N 1 3 216.288 1.313 20 0 BDADHO Cc1cnc(N2C[C@H](C)CC[C@H]2C[NH3+])cc1N ZINC001164073546 965732580 /nfs/dbraw/zinc/73/25/80/965732580.db2.gz MCNAJOZALGBSPL-KOLCDFICSA-N 1 3 234.347 1.536 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC001168465167 965805099 /nfs/dbraw/zinc/80/50/99/965805099.db2.gz PKSWMNCVIMNELF-QWRGUYRKSA-N 1 3 224.323 1.941 20 0 BDADHO COCCN(CCF)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699280628 965830232 /nfs/dbraw/zinc/83/02/32/965830232.db2.gz BNPQARRDEGOPKO-YHWZYXNKSA-N 1 3 244.354 1.435 20 0 BDADHO C[C@H]1CC[C@H](C[NH3+])CN1c1cccc(N)n1 ZINC001164460901 965893196 /nfs/dbraw/zinc/89/31/96/965893196.db2.gz FZVSWUDKRTYJHR-VHSXEESVSA-N 1 3 220.320 1.227 20 0 BDADHO CN(C)Cc1ccnc(N2CCC([NH3+])CC2)c1 ZINC001165064533 965952995 /nfs/dbraw/zinc/95/29/95/965952995.db2.gz OYSRDWYNQCHLGA-UHFFFAOYSA-N 1 3 234.347 1.071 20 0 BDADHO CC(C)N1CCN(c2cc(N)cc[nH+]2)C[C@H]1C ZINC001165199191 965979225 /nfs/dbraw/zinc/97/92/25/965979225.db2.gz XDOXCIZFMLLUEI-LLVKDONJSA-N 1 3 234.347 1.583 20 0 BDADHO CS[C@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166356 966020981 /nfs/dbraw/zinc/02/09/81/966020981.db2.gz RTDFIFDCDBFPCF-OUAUKWLOSA-N 1 3 214.378 1.551 20 0 BDADHO CS[C@H](C)CC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166356 966020994 /nfs/dbraw/zinc/02/09/94/966020994.db2.gz RTDFIFDCDBFPCF-OUAUKWLOSA-N 1 3 214.378 1.551 20 0 BDADHO Cc1cc2[nH]ccc2c(N2C[C@@H]3C[C@]3([NH3+])C2)n1 ZINC001165314318 966046749 /nfs/dbraw/zinc/04/67/49/966046749.db2.gz MEQKIALIGZCSIH-ZANVPECISA-N 1 3 228.299 1.409 20 0 BDADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)CC)N(C)C ZINC001484765931 966515901 /nfs/dbraw/zinc/51/59/01/966515901.db2.gz XUXAPTRKYHNMKE-GFCCVEGCSA-N 1 3 243.395 1.127 20 0 BDADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC)N(C)C ZINC001484765931 966515908 /nfs/dbraw/zinc/51/59/08/966515908.db2.gz XUXAPTRKYHNMKE-GFCCVEGCSA-N 1 3 243.395 1.127 20 0 BDADHO c1nc2c(cc1C1=CCC[NH2+]CC1)CNCC2 ZINC001238945164 966800052 /nfs/dbraw/zinc/80/00/52/966800052.db2.gz OPXUSUGQSUCWMO-UHFFFAOYSA-N 1 3 229.327 1.494 20 0 BDADHO Cc1cc([C@H]2CCCN2CCCC[NH3+])no1 ZINC001204847461 967194061 /nfs/dbraw/zinc/19/40/61/967194061.db2.gz BHKFEHRZBNWNST-GFCCVEGCSA-N 1 3 223.320 1.859 20 0 BDADHO [NH3+]CCCCN1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001204847548 967196779 /nfs/dbraw/zinc/19/67/79/967196779.db2.gz CGGYHVKUNCJOGB-RYUDHWBXSA-N 1 3 224.348 1.559 20 0 BDADHO COCc1cccc(CN2CCC(C[NH3+])CC2)n1 ZINC001205046752 967304606 /nfs/dbraw/zinc/30/46/06/967304606.db2.gz LXJMZTYLNPVLQN-UHFFFAOYSA-N 1 3 249.358 1.399 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc(CCO)cc2)CC1 ZINC001205116670 967367555 /nfs/dbraw/zinc/36/75/55/967367555.db2.gz GDGJJXYQFJKDTR-OAHLLOKOSA-N 1 3 248.370 1.535 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2cncnc2)CC1 ZINC001205558809 967696163 /nfs/dbraw/zinc/69/61/63/967696163.db2.gz IXGRKVNVUORGSX-GFCCVEGCSA-N 1 3 238.310 1.130 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2cnco2)CC1 ZINC001205570080 967700284 /nfs/dbraw/zinc/70/02/84/967700284.db2.gz FCTXCYFOGXWXOY-LLVKDONJSA-N 1 3 227.283 1.328 20 0 BDADHO C[C@H]1CCN(Cc2cn(C)cn2)CC[C@@H]1C[NH3+] ZINC001205602637 967717228 /nfs/dbraw/zinc/71/72/28/967717228.db2.gz KUCNJDUXZGVSEK-NWDGAFQWSA-N 1 3 236.363 1.227 20 0 BDADHO [NH3+]C[C@]1(O)CCCCN(CCc2ccccc2)C1 ZINC001205663379 967747328 /nfs/dbraw/zinc/74/73/28/967747328.db2.gz IVBRDQDTPNHBSS-OAHLLOKOSA-N 1 3 248.370 1.405 20 0 BDADHO C[C@H]1CC[C@H](CN)[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803315 967825726 /nfs/dbraw/zinc/82/57/26/967825726.db2.gz GBOMHPKOCYZWML-TUAOUCFPSA-N 1 3 242.363 1.197 20 0 BDADHO C[C@H]1CC[C@H](CN)[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803315 967825728 /nfs/dbraw/zinc/82/57/28/967825728.db2.gz GBOMHPKOCYZWML-TUAOUCFPSA-N 1 3 242.363 1.197 20 0 BDADHO CC1(C)[NH2+]C[C@@H](CN2CCC[C@](C)(F)CC2)O1 ZINC001205855873 967856491 /nfs/dbraw/zinc/85/64/91/967856491.db2.gz PYPHTWAFXCCOBP-AAEUAGOBSA-N 1 3 244.354 1.925 20 0 BDADHO Cc1nc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)co1 ZINC001205992545 967940923 /nfs/dbraw/zinc/94/09/23/967940923.db2.gz FFOMAJGNAAAODP-CMPLNLGQSA-N 1 3 237.347 1.790 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001206049030 968012601 /nfs/dbraw/zinc/01/26/01/968012601.db2.gz HDHYCHIFPJDJRZ-GRYCIOLGSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001206049031 968016401 /nfs/dbraw/zinc/01/64/01/968016401.db2.gz HDHYCHIFPJDJRZ-IJLUTSLNSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@]1(C[NH3+])CCCN(Cc2nccnc2N)CC1 ZINC001206311268 968216721 /nfs/dbraw/zinc/21/67/21/968216721.db2.gz LNQCLACRDVRBNO-CYBMUJFWSA-N 1 3 249.362 1.010 20 0 BDADHO C[C@H](C[N@@H+]1C[C@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206511819 968344215 /nfs/dbraw/zinc/34/42/15/968344215.db2.gz CKTICMCSWGAUAK-XBFCOCLRSA-N 1 3 234.343 1.042 20 0 BDADHO C[C@H](C[N@H+]1C[C@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206511819 968344230 /nfs/dbraw/zinc/34/42/30/968344230.db2.gz CKTICMCSWGAUAK-XBFCOCLRSA-N 1 3 234.343 1.042 20 0 BDADHO COC(CN1CCCC[C@@](C)(C[NH3+])C1)OC ZINC001206541298 968365203 /nfs/dbraw/zinc/36/52/03/968365203.db2.gz GIOQWMLAIKYTQH-LBPRGKRZSA-N 1 3 230.352 1.056 20 0 BDADHO Cn1cccc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206606551 968402337 /nfs/dbraw/zinc/40/23/37/968402337.db2.gz PEGGRFXAQDIHQR-GFCCVEGCSA-N 1 3 221.348 1.586 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1ccc[nH]c1=O)CC2 ZINC001207008165 968542847 /nfs/dbraw/zinc/54/28/47/968542847.db2.gz HEDFBIWDYJFLJO-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO CC(C)(O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001252368657 968649277 /nfs/dbraw/zinc/64/92/77/968649277.db2.gz LMIDQWITCZKZTE-UHFFFAOYSA-N 1 3 233.315 1.466 20 0 BDADHO CC(=O)[C@@H]1CC[N@@H+](CCC2CCN(C)CC2)C1 ZINC001207487656 968801746 /nfs/dbraw/zinc/80/17/46/968801746.db2.gz PYGRVVUIRSNUCB-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO CC(=O)[C@@H]1CC[N@H+](CCC2CCN(C)CC2)C1 ZINC001207487656 968801754 /nfs/dbraw/zinc/80/17/54/968801754.db2.gz PYGRVVUIRSNUCB-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO CO[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000829274888 968825267 /nfs/dbraw/zinc/82/52/67/968825267.db2.gz IFVZBKLZUZTLMK-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001207836542 968895642 /nfs/dbraw/zinc/89/56/42/968895642.db2.gz IYUFUFQXYOKIMD-UJOWSUJOSA-N 1 3 234.387 1.962 20 0 BDADHO CO[C@@H]1CCN(CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185043 969117408 /nfs/dbraw/zinc/11/74/08/969117408.db2.gz URXRYFQATQIZPT-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CN1C[C@@H]2C[N@@H+](CCc3cccc(F)c3)C[C@@H]2C1 ZINC001208199535 969125189 /nfs/dbraw/zinc/12/51/89/969125189.db2.gz RXAZITVZPYFTJL-OKILXGFUSA-N 1 3 248.345 1.862 20 0 BDADHO CN1C[C@@H]2C[N@H+](CCc3cccc(F)c3)C[C@@H]2C1 ZINC001208199535 969125193 /nfs/dbraw/zinc/12/51/93/969125193.db2.gz RXAZITVZPYFTJL-OKILXGFUSA-N 1 3 248.345 1.862 20 0 BDADHO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384098 969146718 /nfs/dbraw/zinc/14/67/18/969146718.db2.gz PATJJRWAFVTTBS-FRRDWIJNSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384096 969147151 /nfs/dbraw/zinc/14/71/51/969147151.db2.gz PATJJRWAFVTTBS-AGIUHOORSA-N 1 3 242.407 1.904 20 0 BDADHO CCN1CCC(C[N@@H+]2CC[C@@H](C(C)=O)C2)CC1 ZINC001208603188 969149092 /nfs/dbraw/zinc/14/90/92/969149092.db2.gz VWRUDRBREQRMQG-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO CCN1CCC(C[N@H+]2CC[C@@H](C(C)=O)C2)CC1 ZINC001208603188 969149098 /nfs/dbraw/zinc/14/90/98/969149098.db2.gz VWRUDRBREQRMQG-CQSZACIVSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)C(C)(C)C ZINC001253403235 969156679 /nfs/dbraw/zinc/15/66/79/969156679.db2.gz AFVXKKNUJALZKF-MNOVXSKESA-N 1 3 230.396 1.760 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCC1CC1 ZINC001253404670 969159722 /nfs/dbraw/zinc/15/97/22/969159722.db2.gz BWOBCYRGFZGVET-NSHDSACASA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCC1CC1 ZINC001253404670 969159725 /nfs/dbraw/zinc/15/97/25/969159725.db2.gz BWOBCYRGFZGVET-NSHDSACASA-N 1 3 214.353 1.125 20 0 BDADHO CN1CCC[C@@H](C[N@@H+]2CCCCC23COC3)C1 ZINC001208608590 969160190 /nfs/dbraw/zinc/16/01/90/969160190.db2.gz QRWPNZHBBLJGJC-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@@H](C[N@H+]2CCCCC23COC3)C1 ZINC001208608590 969160195 /nfs/dbraw/zinc/16/01/95/969160195.db2.gz QRWPNZHBBLJGJC-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC001253406698 969162008 /nfs/dbraw/zinc/16/20/08/969162008.db2.gz ALUJBEAQIJPEOC-NWDGAFQWSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1C[C@H]1CCCN(C)C1 ZINC001208606737 969162877 /nfs/dbraw/zinc/16/28/77/969162877.db2.gz GTYYZVCLFZZMCL-MJBXVCDLSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C[C@H]1CCCN(C)C1 ZINC001208606737 969162882 /nfs/dbraw/zinc/16/28/82/969162882.db2.gz GTYYZVCLFZZMCL-MJBXVCDLSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CC2(CCC2)C1 ZINC001253410320 969164092 /nfs/dbraw/zinc/16/40/92/969164092.db2.gz GFXZYCACCRNFCY-LBPRGKRZSA-N 1 3 240.391 1.658 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2CC(N3CCCC3)C2)C1 ZINC001208609718 969173653 /nfs/dbraw/zinc/17/36/53/969173653.db2.gz WRPUBDFIYNSJSG-ZDUSSCGKSA-N 1 3 237.391 1.108 20 0 BDADHO C[N@H+]1CCC[C@H](CN2CC(N3CCCC3)C2)C1 ZINC001208609718 969173656 /nfs/dbraw/zinc/17/36/56/969173656.db2.gz WRPUBDFIYNSJSG-ZDUSSCGKSA-N 1 3 237.391 1.108 20 0 BDADHO NCc1cccc(N(CC[NH3+])c2cccnc2)n1 ZINC001168837029 969230437 /nfs/dbraw/zinc/23/04/37/969230437.db2.gz DFTSGYSTUYULBW-UHFFFAOYSA-N 1 3 243.314 1.032 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CN3CCC1CC3)C2 ZINC001169094457 969384481 /nfs/dbraw/zinc/38/44/81/969384481.db2.gz LOHUIJAPQVOVCS-XQLPTFJDSA-N 1 3 249.402 1.295 20 0 BDADHO CC(C)[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001253777934 969399316 /nfs/dbraw/zinc/39/93/16/969399316.db2.gz XJAQGKXYIRSSQG-AWEZNQCLSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)[C@@H](O)CNCCC[NH+]1CCC(C)CC1 ZINC001253777934 969399323 /nfs/dbraw/zinc/39/93/23/969399323.db2.gz XJAQGKXYIRSSQG-AWEZNQCLSA-N 1 3 242.407 1.715 20 0 BDADHO CCN(CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169127092 969434222 /nfs/dbraw/zinc/43/42/22/969434222.db2.gz ZQMPWCGYWUCJIZ-ITGUQSILSA-N 1 3 226.364 1.580 20 0 BDADHO CCN(CCOC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169127092 969434228 /nfs/dbraw/zinc/43/42/28/969434228.db2.gz ZQMPWCGYWUCJIZ-ITGUQSILSA-N 1 3 226.364 1.580 20 0 BDADHO COC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)OC ZINC001169108383 969447249 /nfs/dbraw/zinc/44/72/49/969447249.db2.gz SHPTYTPGNVBSJB-CNDDSTCGSA-N 1 3 242.363 1.210 20 0 BDADHO COC(=O)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109046 969449262 /nfs/dbraw/zinc/44/92/62/969449262.db2.gz HBRKLHSCNUHNKV-WISYIIOYSA-N 1 3 240.347 1.153 20 0 BDADHO COC(=O)C[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109046 969449267 /nfs/dbraw/zinc/44/92/67/969449267.db2.gz HBRKLHSCNUHNKV-WISYIIOYSA-N 1 3 240.347 1.153 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC(N3CCCC3)C1)C2 ZINC001169141030 969455965 /nfs/dbraw/zinc/45/59/65/969455965.db2.gz OCTWARQGARGUEN-BTTYYORXSA-N 1 3 249.402 1.392 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC(N3CCCC3)C1)C2 ZINC001169141030 969455971 /nfs/dbraw/zinc/45/59/71/969455971.db2.gz OCTWARQGARGUEN-BTTYYORXSA-N 1 3 249.402 1.392 20 0 BDADHO C[C@H](N)c1ccn(-c2cccc(C[NH3+])c2)n1 ZINC001169231975 969507275 /nfs/dbraw/zinc/50/72/75/969507275.db2.gz XVFBELIXJCGBEQ-VIFPVBQESA-N 1 3 216.288 1.351 20 0 BDADHO CCN1CCC([N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001169266649 969523972 /nfs/dbraw/zinc/52/39/72/969523972.db2.gz ZSRQIYUCIPICPS-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCC([N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001169266649 969523975 /nfs/dbraw/zinc/52/39/75/969523975.db2.gz ZSRQIYUCIPICPS-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO [NH3+][C@H]1CCN(C2CCc3ccccc3CC2)C1 ZINC001254450275 969642695 /nfs/dbraw/zinc/64/26/95/969642695.db2.gz LHEVSRNAXZEINH-AWEZNQCLSA-N 1 3 230.355 1.967 20 0 BDADHO C[C@H](N)c1nccn1[C@H]1CCC[N@H+](C)CC1 ZINC001254498392 969662039 /nfs/dbraw/zinc/66/20/39/969662039.db2.gz YKUDECFVGPDMFU-QWRGUYRKSA-N 1 3 222.336 1.560 20 0 BDADHO C[N@@H+]1CCC[C@H](NCCOc2cccnc2)CC1 ZINC001254502602 969669985 /nfs/dbraw/zinc/66/99/85/969669985.db2.gz GYZKGRZGSCQRKZ-ZDUSSCGKSA-N 1 3 249.358 1.534 20 0 BDADHO C[N@H+]1CCC[C@H](NCCOc2cccnc2)CC1 ZINC001254502602 969669988 /nfs/dbraw/zinc/66/99/88/969669988.db2.gz GYZKGRZGSCQRKZ-ZDUSSCGKSA-N 1 3 249.358 1.534 20 0 BDADHO CCN1CCC[N@@H+]([C@H]2CCCN(C)CC2)CC1 ZINC001254517868 969701906 /nfs/dbraw/zinc/70/19/06/969701906.db2.gz ZHQOIXGWRFVYEZ-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CCC[N@H+]([C@H]2CCCN(C)CC2)CC1 ZINC001254517868 969701908 /nfs/dbraw/zinc/70/19/08/969701908.db2.gz ZHQOIXGWRFVYEZ-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CN1CCC[C@@H]([NH+]2CCC3(CCO3)CC2)CC1 ZINC001254526297 969721211 /nfs/dbraw/zinc/72/12/11/969721211.db2.gz QLUQZAMDVBTKCO-CYBMUJFWSA-N 1 3 238.375 1.726 20 0 BDADHO Cc1nc2c(n1[C@@H]1CCC[N@@H+](C)CC1)CNCC2 ZINC001254528806 969723336 /nfs/dbraw/zinc/72/33/36/969723336.db2.gz IBZKABZNAXEWGY-GFCCVEGCSA-N 1 3 248.374 1.494 20 0 BDADHO Cc1nc2c(n1[C@@H]1CCC[N@H+](C)CC1)CNCC2 ZINC001254528806 969723342 /nfs/dbraw/zinc/72/33/42/969723342.db2.gz IBZKABZNAXEWGY-GFCCVEGCSA-N 1 3 248.374 1.494 20 0 BDADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)CC2)[C@@H](C)CO1 ZINC001254529482 969732825 /nfs/dbraw/zinc/73/28/25/969732825.db2.gz GKMDUCQIYIZRRB-XQQFMLRXSA-N 1 3 226.364 1.580 20 0 BDADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)CC2)[C@@H](C)CO1 ZINC001254529482 969732831 /nfs/dbraw/zinc/73/28/31/969732831.db2.gz GKMDUCQIYIZRRB-XQQFMLRXSA-N 1 3 226.364 1.580 20 0 BDADHO C[C@@H](CN)C[N@H+](C)C1Cc2ccccc2C1 ZINC001255014713 969846327 /nfs/dbraw/zinc/84/63/27/969846327.db2.gz HUTASIHDAIEFTB-NSHDSACASA-N 1 3 218.344 1.680 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)C1Cc2ccccc2C1 ZINC001255014713 969846332 /nfs/dbraw/zinc/84/63/32/969846332.db2.gz HUTASIHDAIEFTB-NSHDSACASA-N 1 3 218.344 1.680 20 0 BDADHO C[C@@H](C[NH3+])CN(C)C1Cc2ccccc2C1 ZINC001255014713 969846334 /nfs/dbraw/zinc/84/63/34/969846334.db2.gz HUTASIHDAIEFTB-NSHDSACASA-N 1 3 218.344 1.680 20 0 BDADHO C[N@@H+]1CC[C@H](Nc2cccc(F)c2CN)C1 ZINC001255412335 970130411 /nfs/dbraw/zinc/13/04/11/970130411.db2.gz NEHQXAWGKQKQJL-VIFPVBQESA-N 1 3 223.295 1.400 20 0 BDADHO C[N@H+]1CC[C@H](Nc2cccc(F)c2CN)C1 ZINC001255412335 970130413 /nfs/dbraw/zinc/13/04/13/970130413.db2.gz NEHQXAWGKQKQJL-VIFPVBQESA-N 1 3 223.295 1.400 20 0 BDADHO CN1CCC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255469126 970196404 /nfs/dbraw/zinc/19/64/04/970196404.db2.gz BZGZRCMRISNVOT-GFCCVEGCSA-N 1 3 232.331 1.481 20 0 BDADHO CC[C@H](CO)[NH2+][C@H](C)CCN(CC)CC ZINC001255939175 970565341 /nfs/dbraw/zinc/56/53/41/970565341.db2.gz CTCUPHYNNVVIJQ-VXGBXAGGSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@H](CO)N[C@H](C)CC[NH+](CC)CC ZINC001255939175 970565347 /nfs/dbraw/zinc/56/53/47/970565347.db2.gz CTCUPHYNNVVIJQ-VXGBXAGGSA-N 1 3 216.369 1.467 20 0 BDADHO C[C@H](NCc1cscn1)C1CC[NH2+]CC1 ZINC000400363096 970583634 /nfs/dbraw/zinc/58/36/34/970583634.db2.gz QQNBELHRVJCYTA-VIFPVBQESA-N 1 3 225.361 1.621 20 0 BDADHO C[C@H](NCc1cocn1)C1CC[NH2+]CC1 ZINC000400644601 970617027 /nfs/dbraw/zinc/61/70/27/970617027.db2.gz OSMDDGFNGQRLMX-VIFPVBQESA-N 1 3 209.293 1.152 20 0 BDADHO Cc1cc(NCC2CN(C)C2)nc2c1C[NH2+]CC2 ZINC001170249479 970655684 /nfs/dbraw/zinc/65/56/84/970655684.db2.gz GVWGILXSLFTXLY-UHFFFAOYSA-N 1 3 246.358 1.009 20 0 BDADHO Cc1cnccc1CN1CCC(F)(C[NH3+])CC1 ZINC001222532916 972555608 /nfs/dbraw/zinc/55/56/08/972555608.db2.gz PSZQXTZWZTZMJN-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO CCSC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566594 972808802 /nfs/dbraw/zinc/80/88/02/972808802.db2.gz SJYUVNPUYPTJTD-VWYCJHECSA-N 1 3 216.394 1.797 20 0 BDADHO CCSC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566594 972808804 /nfs/dbraw/zinc/80/88/04/972808804.db2.gz SJYUVNPUYPTJTD-VWYCJHECSA-N 1 3 216.394 1.797 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(CF)CC2)CCN1 ZINC001246568169 972822840 /nfs/dbraw/zinc/82/28/40/972822840.db2.gz MDANXLFNXZTQNH-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](O)(CF)CC2)CCN1 ZINC001246568169 972822843 /nfs/dbraw/zinc/82/28/43/972822843.db2.gz MDANXLFNXZTQNH-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@@](O)(CF)CC2)CC[NH2+]1 ZINC001246568169 972822852 /nfs/dbraw/zinc/82/28/52/972822852.db2.gz MDANXLFNXZTQNH-AGIUHOORSA-N 1 3 244.354 1.313 20 0 BDADHO CC(C)CC(CC(C)C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588058 972985770 /nfs/dbraw/zinc/98/57/70/972985770.db2.gz YBPCWYDHSMKMDY-JSGCOSHPSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)CC(CC(C)C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588058 972985782 /nfs/dbraw/zinc/98/57/82/972985782.db2.gz YBPCWYDHSMKMDY-JSGCOSHPSA-N 1 3 242.407 1.699 20 0 BDADHO C[NH2+]CCCN1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224117588 973456657 /nfs/dbraw/zinc/45/66/57/973456657.db2.gz APJCTSHPNQCODO-JSGCOSHPSA-N 1 3 245.370 1.737 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)C1CCCCC1 ZINC001329518650 973808963 /nfs/dbraw/zinc/80/89/63/973808963.db2.gz ADBBLWGHGQGEFI-UMNHJUIQSA-N 1 3 241.379 1.136 20 0 BDADHO CN1C(C)(C)CC([NH2+]C2(CO)CC2)CC1(C)C ZINC001171620203 974114878 /nfs/dbraw/zinc/11/48/78/974114878.db2.gz YZEXOQLWRKAKST-UHFFFAOYSA-N 1 3 240.391 1.752 20 0 BDADHO Cc1ccc(CC[C@H](C)NC[C@@H](O)C[NH3+])cc1 ZINC001171654971 974121056 /nfs/dbraw/zinc/12/10/56/974121056.db2.gz DBEQXIIUIUVXKH-JSGCOSHPSA-N 1 3 236.359 1.225 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCF)C2 ZINC001172102643 974361350 /nfs/dbraw/zinc/36/13/50/974361350.db2.gz NZXHJVGFNZDOBN-RTCCRHLQSA-N 1 3 200.301 1.561 20 0 BDADHO Cc1cc(CN)nn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103600 974363743 /nfs/dbraw/zinc/36/37/43/974363743.db2.gz WEDUYYSWUQHXTF-WDNDVIMCSA-N 1 3 248.374 1.838 20 0 BDADHO Cc1cc(CN)nn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103600 974363752 /nfs/dbraw/zinc/36/37/52/974363752.db2.gz WEDUYYSWUQHXTF-WDNDVIMCSA-N 1 3 248.374 1.838 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C=C(N)C=CC1)C2 ZINC001172113711 974381811 /nfs/dbraw/zinc/38/18/11/974381811.db2.gz JGKWEPAWUVTNOB-BTTYYORXSA-N 1 3 233.359 1.674 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C=C(N)C=CC1)C2 ZINC001172113711 974381818 /nfs/dbraw/zinc/38/18/18/974381818.db2.gz JGKWEPAWUVTNOB-BTTYYORXSA-N 1 3 233.359 1.674 20 0 BDADHO CCN(CC)CCC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172230274 974470244 /nfs/dbraw/zinc/47/02/44/974470244.db2.gz VVHQELCAXUWYNB-AGUYFDCRSA-N 1 3 238.375 1.794 20 0 BDADHO Cc1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)[nH]1 ZINC001206164173 974632372 /nfs/dbraw/zinc/63/23/72/974632372.db2.gz JHTQULWHKBUDCZ-VXGBXAGGSA-N 1 3 225.311 1.584 20 0 BDADHO Cc1ccc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)[nH]1 ZINC001206164173 974632375 /nfs/dbraw/zinc/63/23/75/974632375.db2.gz JHTQULWHKBUDCZ-VXGBXAGGSA-N 1 3 225.311 1.584 20 0 BDADHO CCOCC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC001172418903 974691619 /nfs/dbraw/zinc/69/16/19/974691619.db2.gz HQQBHYSMSLCWPO-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H](NC(C)(C)C[NH3+])C1 ZINC001172584982 974891323 /nfs/dbraw/zinc/89/13/23/974891323.db2.gz DCHRDWMIUZPGFA-NXEZZACHSA-N 1 3 228.336 1.045 20 0 BDADHO Cc1ccncc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206173584 974901336 /nfs/dbraw/zinc/90/13/36/974901336.db2.gz IKGHEKKVVCVLSV-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ccncc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206173584 974901340 /nfs/dbraw/zinc/90/13/40/974901340.db2.gz IKGHEKKVVCVLSV-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN)CC1 ZINC001172802962 974955257 /nfs/dbraw/zinc/95/52/57/974955257.db2.gz ZHSSUKQEYQEBAF-TUAOUCFPSA-N 1 3 242.363 1.293 20 0 BDADHO C[N@@H+]1CCC[C@H](Oc2ccnc(N)c2)C1 ZINC001226655334 975001343 /nfs/dbraw/zinc/00/13/43/975001343.db2.gz FQPJSNUKXPGMNQ-JTQLQIEISA-N 1 3 207.277 1.137 20 0 BDADHO C[N@H+]1CCC[C@H](Oc2ccnc(N)c2)C1 ZINC001226655334 975001346 /nfs/dbraw/zinc/00/13/46/975001346.db2.gz FQPJSNUKXPGMNQ-JTQLQIEISA-N 1 3 207.277 1.137 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](Oc2ccnc(N)c2)C1 ZINC001226655469 975001480 /nfs/dbraw/zinc/00/14/80/975001480.db2.gz HGFCSGWSZHDTEA-NSHDSACASA-N 1 3 221.304 1.525 20 0 BDADHO CC(C)[N@H+]1CC[C@H](Oc2ccnc(N)c2)C1 ZINC001226655469 975001485 /nfs/dbraw/zinc/00/14/85/975001485.db2.gz HGFCSGWSZHDTEA-NSHDSACASA-N 1 3 221.304 1.525 20 0 BDADHO Cc1nc(N(C)C)cc(N(C)C2CC[NH2+]CC2)n1 ZINC000258809273 975010094 /nfs/dbraw/zinc/01/00/94/975010094.db2.gz URHWEPWJFPVRSE-UHFFFAOYSA-N 1 3 249.362 1.039 20 0 BDADHO CC[N@@H+]1CC[C@H](Nc2cccc(F)c2CN)C1 ZINC001173349455 975290839 /nfs/dbraw/zinc/29/08/39/975290839.db2.gz GMKFSGZZTGAARZ-JTQLQIEISA-N 1 3 237.322 1.791 20 0 BDADHO CC[N@H+]1CC[C@H](Nc2cccc(F)c2CN)C1 ZINC001173349455 975290843 /nfs/dbraw/zinc/29/08/43/975290843.db2.gz GMKFSGZZTGAARZ-JTQLQIEISA-N 1 3 237.322 1.791 20 0 BDADHO CCCN(CCC)CC[NH2+][C@H]1CCN(CC)C1 ZINC001173350069 975296111 /nfs/dbraw/zinc/29/61/11/975296111.db2.gz NKPNOYRXPRVCLB-AWEZNQCLSA-N 1 3 241.423 1.792 20 0 BDADHO CC[N@@H+]1CC[C@H](n2nc(CN)c3ccccc32)C1 ZINC001173352511 975301485 /nfs/dbraw/zinc/30/14/85/975301485.db2.gz OKAUWNCFVFDJOT-NSHDSACASA-N 1 3 244.342 1.762 20 0 BDADHO CC[N@H+]1CC[C@H](n2nc(CN)c3ccccc32)C1 ZINC001173352511 975301490 /nfs/dbraw/zinc/30/14/90/975301490.db2.gz OKAUWNCFVFDJOT-NSHDSACASA-N 1 3 244.342 1.762 20 0 BDADHO Cc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)nc(N)n1 ZINC001333601730 975882496 /nfs/dbraw/zinc/88/24/96/975882496.db2.gz JZQHQMCYQHPPPX-GHMZBOCLSA-N 1 3 249.362 1.652 20 0 BDADHO CN1CCc2cc(O[C@H]3CC[N@H+](C)C3)ccc2C1 ZINC001228936988 976587580 /nfs/dbraw/zinc/58/75/80/976587580.db2.gz RZSCRENIEYNHFQ-HNNXBMFYSA-N 1 3 246.354 1.757 20 0 BDADHO CN1CCc2cc(O[C@H]3CC[N@@H+](C)C3)ccc2C1 ZINC001228936988 976587599 /nfs/dbraw/zinc/58/75/99/976587599.db2.gz RZSCRENIEYNHFQ-HNNXBMFYSA-N 1 3 246.354 1.757 20 0 BDADHO Cc1ncc(Nc2cc[nH+]cc2C)n1C ZINC001174537980 976826506 /nfs/dbraw/zinc/82/65/06/976826506.db2.gz VYOLYZBLYPYPGW-UHFFFAOYSA-N 1 3 202.261 1.597 20 0 BDADHO C[C@H](O)CNCCC[NH+]1CCCCCC1 ZINC001335344440 976979796 /nfs/dbraw/zinc/97/97/96/976979796.db2.gz CTYXUHNIPYYJAG-LBPRGKRZSA-N 1 3 214.353 1.223 20 0 BDADHO Cc1ccc([C@@H](O)CNC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001335350258 976986833 /nfs/dbraw/zinc/98/68/33/976986833.db2.gz FODUYLFWISAGFX-ZFWWWQNUSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1ccc([C@@H](O)CNC[C@@H]2CC[N@H+](C)C2)cc1 ZINC001335350258 976986837 /nfs/dbraw/zinc/98/68/37/976986837.db2.gz FODUYLFWISAGFX-ZFWWWQNUSA-N 1 3 248.370 1.570 20 0 BDADHO C[N@@H+](Cc1cc2cnccc2[nH]1)CC1COC1 ZINC001232016506 977845443 /nfs/dbraw/zinc/84/54/43/977845443.db2.gz YLOYHORZUJAHPM-UHFFFAOYSA-N 1 3 231.299 1.641 20 0 BDADHO C[N@H+](Cc1cc2cnccc2[nH]1)CC1COC1 ZINC001232016506 977845445 /nfs/dbraw/zinc/84/54/45/977845445.db2.gz YLOYHORZUJAHPM-UHFFFAOYSA-N 1 3 231.299 1.641 20 0 BDADHO Cc1cc(Nc2nccn2C)cc(C)[nH+]1 ZINC001176051819 977897082 /nfs/dbraw/zinc/89/70/82/977897082.db2.gz KDJHDSLJUQGZCA-UHFFFAOYSA-N 1 3 202.261 1.597 20 0 BDADHO CC[C@@H](C)N1CC2(CCN2CC[NH+](C)C)C1 ZINC001277807022 978697267 /nfs/dbraw/zinc/69/72/67/978697267.db2.gz KFSJFSJRSQERHH-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO OC1(CN[C@H]2C[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC001338552712 978707115 /nfs/dbraw/zinc/70/71/15/978707115.db2.gz TYGNCRGQEFOAPA-TXEJJXNPSA-N 1 3 224.348 1.118 20 0 BDADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1CCCO ZINC001235973134 979246536 /nfs/dbraw/zinc/24/65/36/979246536.db2.gz LIKLTWUSTQNNIJ-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1CCCO ZINC001235973134 979246546 /nfs/dbraw/zinc/24/65/46/979246546.db2.gz LIKLTWUSTQNNIJ-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@H]3CC[C@]3(N)C2)cc1 ZINC001235980595 979253682 /nfs/dbraw/zinc/25/36/82/979253682.db2.gz RDYMSRHPJFTMTP-HIFRSBDPSA-N 1 3 246.354 1.661 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@H]3CC[C@]3(N)C2)cc1 ZINC001235980595 979253696 /nfs/dbraw/zinc/25/36/96/979253696.db2.gz RDYMSRHPJFTMTP-HIFRSBDPSA-N 1 3 246.354 1.661 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996666 979292856 /nfs/dbraw/zinc/29/28/56/979292856.db2.gz YNJVMYRILMWBER-RISCZKNCSA-N 1 3 242.326 1.486 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996666 979292869 /nfs/dbraw/zinc/29/28/69/979292869.db2.gz YNJVMYRILMWBER-RISCZKNCSA-N 1 3 242.326 1.486 20 0 BDADHO [NH3+][C@]12C[C@H]1CN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001236032149 979330337 /nfs/dbraw/zinc/33/03/37/979330337.db2.gz VFVILTMVQRDSCB-GWCFXTLKSA-N 1 3 228.299 1.096 20 0 BDADHO [NH3+][C@]12C[C@H]1CN(Cc1cc3cnccc3[nH]1)C2 ZINC001236032149 979330348 /nfs/dbraw/zinc/33/03/48/979330348.db2.gz VFVILTMVQRDSCB-GWCFXTLKSA-N 1 3 228.299 1.096 20 0 BDADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)N(C)C ZINC001277986668 979673366 /nfs/dbraw/zinc/67/33/66/979673366.db2.gz BHZYKJAMAUNMIY-VXGBXAGGSA-N 1 3 243.395 1.172 20 0 BDADHO C[C@]1([NH3+])CCCN(Cc2ccc(CO)cc2)CC1 ZINC001205257179 979758586 /nfs/dbraw/zinc/75/85/86/979758586.db2.gz TUARQAQOMOPJQM-HNNXBMFYSA-N 1 3 248.370 1.882 20 0 BDADHO CC[C@H](N)C[N@H+](C)CCC(C)(C)OC ZINC001236865325 979771539 /nfs/dbraw/zinc/77/15/39/979771539.db2.gz IVZFRSLWPRIYOC-JTQLQIEISA-N 1 3 202.342 1.471 20 0 BDADHO CC[C@H](N)C[N@@H+](C)CCC(C)(C)OC ZINC001236865325 979771545 /nfs/dbraw/zinc/77/15/45/979771545.db2.gz IVZFRSLWPRIYOC-JTQLQIEISA-N 1 3 202.342 1.471 20 0 BDADHO N[C@H](CC1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342397884 979793295 /nfs/dbraw/zinc/79/32/95/979793295.db2.gz MFQQFGSMLQBAPL-GFCCVEGCSA-N 1 3 245.326 1.356 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503994 980128645 /nfs/dbraw/zinc/12/86/45/980128645.db2.gz CZRLHFGNYIKQKD-WDEREUQCSA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)CCOC(=O)NCCC[NH2+]CCCN ZINC001239325545 980532257 /nfs/dbraw/zinc/53/22/57/980532257.db2.gz VFZNTTFSGRJQMG-UHFFFAOYSA-N 1 3 245.367 1.087 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001345535728 980626452 /nfs/dbraw/zinc/62/64/52/980626452.db2.gz IKGRBRWHPOLPGR-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CN(Cc1ccc(CO)cc1)C1CC[NH+](C)CC1 ZINC000084896440 980758948 /nfs/dbraw/zinc/75/89/48/980758948.db2.gz YVXIMSXKVUVTIZ-UHFFFAOYSA-N 1 3 248.370 1.705 20 0 BDADHO Cc1cccc([C@H](O)CNC[C@@H]2CC[N@@H+](C)C2)c1 ZINC001346192555 980779676 /nfs/dbraw/zinc/77/96/76/980779676.db2.gz WCOQLLBKGXNOIA-DZGCQCFKSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1cccc([C@H](O)CNC[C@@H]2CC[N@H+](C)C2)c1 ZINC001346192555 980779680 /nfs/dbraw/zinc/77/96/80/980779680.db2.gz WCOQLLBKGXNOIA-DZGCQCFKSA-N 1 3 248.370 1.570 20 0 BDADHO O[C@H](CN[C@@H]1C[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC001346352769 980816727 /nfs/dbraw/zinc/81/67/27/980816727.db2.gz JHUNFLLDOXDPCB-HZSPNIEDSA-N 1 3 238.375 1.221 20 0 BDADHO CN(C)Cc1ccnc(-c2cncc(C[NH3+])c2)c1 ZINC001239790213 980928679 /nfs/dbraw/zinc/92/86/79/980928679.db2.gz DFLFUJFKCCHVJM-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO NCc1cc(-c2ccc3c(c2)CC[NH2+]C3)ccn1 ZINC001240456265 981392712 /nfs/dbraw/zinc/39/27/12/981392712.db2.gz GIIWHOLXYZNRNG-UHFFFAOYSA-N 1 3 239.322 1.853 20 0 BDADHO OC[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC001580882250 981681565 /nfs/dbraw/zinc/68/15/65/981681565.db2.gz PSCMJTHVVYCIDQ-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO COC1(CNCC[C@H](C)[NH+](C)C)CCC1 ZINC001353593203 982902629 /nfs/dbraw/zinc/90/26/29/982902629.db2.gz LEDHHYQVVKUZIN-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cn[nH]c3)CC2)CC1 ZINC000691757999 983106227 /nfs/dbraw/zinc/10/62/27/983106227.db2.gz CESLTSJBRQKEHP-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205938344 983573467 /nfs/dbraw/zinc/57/34/67/983573467.db2.gz GIQHCWGMHCNPAU-MGPQQGTHSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205938344 983573470 /nfs/dbraw/zinc/57/34/70/983573470.db2.gz GIQHCWGMHCNPAU-MGPQQGTHSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)=CCC[C@@H](C)CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205938344 983573477 /nfs/dbraw/zinc/57/34/77/983573477.db2.gz GIQHCWGMHCNPAU-MGPQQGTHSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)C[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001358059584 983821290 /nfs/dbraw/zinc/82/12/90/983821290.db2.gz JRGCIQYXLPZCFX-LBPRGKRZSA-N 1 3 247.342 1.602 20 0 BDADHO C[C@@]1(C(=O)Nc2cccc3c2CNC3)CCC[NH2+]1 ZINC001358059417 983821411 /nfs/dbraw/zinc/82/14/11/983821411.db2.gz CSCZJXCETRWKTF-AWEZNQCLSA-N 1 3 245.326 1.370 20 0 BDADHO C[C@H](N)C[NH2+]Cc1cccc2nsnc21 ZINC001576159754 984161103 /nfs/dbraw/zinc/16/11/03/984161103.db2.gz VVHDHCIMKQJVIG-ZETCQYMHSA-N 1 3 222.317 1.128 20 0 BDADHO CCOC(=O)[C@H](C)[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001577908253 984202357 /nfs/dbraw/zinc/20/23/57/984202357.db2.gz DTTXFFXSSREBTE-GRYCIOLGSA-N 1 3 242.363 1.163 20 0 BDADHO CNC[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654388 984220596 /nfs/dbraw/zinc/22/05/96/984220596.db2.gz OJNVNLDFPCWKMB-GJZGRUSLSA-N 1 3 248.370 1.794 20 0 BDADHO CNC[C@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654388 984220609 /nfs/dbraw/zinc/22/06/09/984220609.db2.gz OJNVNLDFPCWKMB-GJZGRUSLSA-N 1 3 248.370 1.794 20 0 BDADHO C[NH2+]Cc1ccc(-c2cccc(CN)n2)cc1 ZINC001242991126 984352533 /nfs/dbraw/zinc/35/25/33/984352533.db2.gz YNSSNMGOVGAWIU-UHFFFAOYSA-N 1 3 227.311 1.927 20 0 BDADHO CCOC(=O)[C@@]1(C)CCC[C@H]1NC1CC([NH3+])C1 ZINC001577925975 984822079 /nfs/dbraw/zinc/82/20/79/984822079.db2.gz PEQQCNKMYAECRC-KMFOADKKSA-N 1 3 240.347 1.188 20 0 BDADHO CCOC(=O)CCN(CCC[NH2+]C)C(C)C ZINC001577949050 984829752 /nfs/dbraw/zinc/82/97/52/984829752.db2.gz VUQHOODZCXJFGO-UHFFFAOYSA-N 1 3 230.352 1.260 20 0 BDADHO NCc1ccn([C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC001256899020 984845894 /nfs/dbraw/zinc/84/58/94/984845894.db2.gz QTDJEXMJHNEMAU-AWEZNQCLSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1ccn([C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC001256899020 984845897 /nfs/dbraw/zinc/84/58/97/984845897.db2.gz QTDJEXMJHNEMAU-AWEZNQCLSA-N 1 3 248.374 1.921 20 0 BDADHO CCOCC(C)(C)NC[C@H]([NH3+])CC(F)F ZINC001578101933 984852271 /nfs/dbraw/zinc/85/22/71/984852271.db2.gz AYDFQPGURLNEST-MRVPVSSYSA-N 1 3 224.295 1.374 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](N)CC)[C@]12CCCO2 ZINC001578148873 984853875 /nfs/dbraw/zinc/85/38/75/984853875.db2.gz MJPZOSONYWKOMF-YVECIDJPSA-N 1 3 242.363 1.040 20 0 BDADHO CCO[C@@H]1CCC[C@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC001578151531 984854094 /nfs/dbraw/zinc/85/40/94/984854094.db2.gz QFPOPQBXKIACKA-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC001578229201 984879076 /nfs/dbraw/zinc/87/90/76/984879076.db2.gz XKTROCVSYPBLLV-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC001578913309 985495181 /nfs/dbraw/zinc/49/51/81/985495181.db2.gz UXCSBWSYVIVJTR-IJLUTSLNSA-N 1 3 212.337 1.271 20 0 BDADHO CN(Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000688033205 985500328 /nfs/dbraw/zinc/50/03/28/985500328.db2.gz OJFYGBLUPFLSLY-UHFFFAOYSA-N 1 3 222.357 1.988 20 0 BDADHO C[C@H](C[NH2+][C@@H]1COC[C@H]1C)CN1CCCC1 ZINC000688048777 985529736 /nfs/dbraw/zinc/52/97/36/985529736.db2.gz OSCARCIJPOCHAH-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](CN[C@@H]1COC[C@H]1C)C[NH+]1CCCC1 ZINC000688048777 985529763 /nfs/dbraw/zinc/52/97/63/985529763.db2.gz OSCARCIJPOCHAH-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO COC1CC(CC[NH2+]C[C@@H](CN)C(C)C)C1 ZINC001578932116 985537816 /nfs/dbraw/zinc/53/78/16/985537816.db2.gz JAAXRAKFLSEALD-OTTFEQOBSA-N 1 3 228.380 1.622 20 0 BDADHO COc1cc(C[C@@H](C)NC(C)(C)C[NH3+])ccn1 ZINC001579146710 985812198 /nfs/dbraw/zinc/81/21/98/985812198.db2.gz QRZWFEOJFMZJIS-SNVBAGLBSA-N 1 3 237.347 1.348 20 0 BDADHO COc1cc(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)ccn1 ZINC001579148465 985812412 /nfs/dbraw/zinc/81/24/12/985812412.db2.gz BYSBCCNZOTZFGC-NWDGAFQWSA-N 1 3 249.358 1.348 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)CCC(=O)OC ZINC001258344748 985818057 /nfs/dbraw/zinc/81/80/57/985818057.db2.gz BOVSIGJDVBIDNI-LBPRGKRZSA-N 1 3 244.379 1.650 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC001579470774 985976655 /nfs/dbraw/zinc/97/66/55/985976655.db2.gz DHGRRWQZLSJZJT-HKLHZYFVSA-N 1 3 206.333 1.230 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC001579476829 985989909 /nfs/dbraw/zinc/98/99/09/985989909.db2.gz IVUGQOMSDVSMCM-MXWKQRLJSA-N 1 3 228.380 1.905 20 0 BDADHO Cc1cn(C)nc1CNCC1(C)CC[NH2+]CC1 ZINC001579818154 986233864 /nfs/dbraw/zinc/23/38/64/986233864.db2.gz IMRKECYXUWHNMQ-UHFFFAOYSA-N 1 3 236.363 1.208 20 0 BDADHO Cc1nc(CNC2CC3(CC([NH3+])C3)C2)[nH]c1C ZINC001579858482 986276436 /nfs/dbraw/zinc/27/64/36/986276436.db2.gz AGPFCLLQJJKWCS-UHFFFAOYSA-N 1 3 234.347 1.386 20 0 BDADHO Cn1ccnc1CNCC[C@@H]1CCC[NH2+]CC1 ZINC001579981416 986379613 /nfs/dbraw/zinc/37/96/13/986379613.db2.gz GLJNHGOWDFNCLJ-GFCCVEGCSA-N 1 3 236.363 1.290 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOCC3)[C@H]2C1 ZINC001462668164 986495750 /nfs/dbraw/zinc/49/57/50/986495750.db2.gz MUBYTEQIIJKMDY-CRWXNKLISA-N 1 3 238.375 1.485 20 0 BDADHO [NH3+]C1CC2(C1)CC(N[C@H]1CCn3ccnc31)C2 ZINC001580167007 986641527 /nfs/dbraw/zinc/64/15/27/986641527.db2.gz ZJWSMSKTIBCJHA-FOBZMYGMSA-N 1 3 232.331 1.187 20 0 BDADHO [NH3+]C[C@@H](NCCSC(F)(F)F)C1CC1 ZINC001580228420 986675289 /nfs/dbraw/zinc/67/52/89/986675289.db2.gz APCHMXFSCZLPAE-SSDOTTSWSA-N 1 3 228.283 1.566 20 0 BDADHO NC[C@H]([NH2+]Cc1cnn2ccccc12)C1CC1 ZINC001580230043 986678362 /nfs/dbraw/zinc/67/83/62/986678362.db2.gz XORUNKLQIDAJRQ-LBPRGKRZSA-N 1 3 230.315 1.161 20 0 BDADHO NC[C@]12C[N@H+](CCc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580256699 986707348 /nfs/dbraw/zinc/70/73/48/986707348.db2.gz WYMBXYUZQYLQHQ-ZIAGYGMSSA-N 1 3 248.374 1.403 20 0 BDADHO NC[C@]12C[N@@H+](CCc3cn[nH]c3)C[C@H]1CCCC2 ZINC001580256699 986707361 /nfs/dbraw/zinc/70/73/61/986707361.db2.gz WYMBXYUZQYLQHQ-ZIAGYGMSSA-N 1 3 248.374 1.403 20 0 BDADHO NC[C@@]12C[N@H+](CC3(O)CCC3)C[C@@H]1CCCC2 ZINC001580256243 986709716 /nfs/dbraw/zinc/70/97/16/986709716.db2.gz RUBJXMIZFPVOGP-STQMWFEESA-N 1 3 238.375 1.352 20 0 BDADHO NC[C@@]12C[N@@H+](CC3(O)CCC3)C[C@@H]1CCCC2 ZINC001580256243 986709725 /nfs/dbraw/zinc/70/97/25/986709725.db2.gz RUBJXMIZFPVOGP-STQMWFEESA-N 1 3 238.375 1.352 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC001580430451 986846832 /nfs/dbraw/zinc/84/68/32/986846832.db2.gz MOKDWOPEJYVHBV-NZEXEKPDSA-N 1 3 224.348 1.271 20 0 BDADHO CCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@H]1C ZINC001245981545 987255254 /nfs/dbraw/zinc/25/52/54/987255254.db2.gz HZPXYOZOVRYYHB-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO CCCCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@H]1C ZINC001245983193 987260728 /nfs/dbraw/zinc/26/07/28/987260728.db2.gz NLLVJWKBGUJTOE-IHRRRGAJSA-N 1 3 242.407 1.905 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693710350 987312652 /nfs/dbraw/zinc/31/26/52/987312652.db2.gz WAJYKJMAFGESQB-FVCCEPFGSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H](O)C(C)(C)C)C1 ZINC001246023355 987314881 /nfs/dbraw/zinc/31/48/81/987314881.db2.gz POFYMBKXUNEIED-IJLUTSLNSA-N 1 3 228.380 1.453 20 0 BDADHO CC1(C)CN(C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000697090008 987350351 /nfs/dbraw/zinc/35/03/51/987350351.db2.gz WSSKPGOHEJNAHU-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1CC[C@H](NC2C[C@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC001246074578 987362481 /nfs/dbraw/zinc/36/24/81/987362481.db2.gz AOKRBQQPUIOIAL-BJDJZHNGSA-N 1 3 226.364 1.673 20 0 BDADHO C[C@H](Cc1ccccn1)[NH2+]CC1(N)CCCC1 ZINC001246075592 987363966 /nfs/dbraw/zinc/36/39/66/987363966.db2.gz LCNLASGXYHFIEK-GFCCVEGCSA-N 1 3 233.359 1.874 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C[C@H](C)O1 ZINC001246074581 987364034 /nfs/dbraw/zinc/36/40/34/987364034.db2.gz AOKRBQQPUIOIAL-WJTVCTBASA-N 1 3 226.364 1.673 20 0 BDADHO C[C@@H](CC[NH2+]Cc1ccn(C)c1)N(C)C ZINC000697881615 987365201 /nfs/dbraw/zinc/36/52/01/987365201.db2.gz WQRQIBSCEDXEDJ-NSHDSACASA-N 1 3 209.337 1.455 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CCCOCC1)N(C)C ZINC000697888940 987365806 /nfs/dbraw/zinc/36/58/06/987365806.db2.gz JWDHPVPZROAJSC-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H](Cc1cccnc1)NCC1([NH3+])CCCC1 ZINC001246077447 987369037 /nfs/dbraw/zinc/36/90/37/987369037.db2.gz WWJBQSWPMKJHFI-LBPRGKRZSA-N 1 3 233.359 1.874 20 0 BDADHO CC1(C)CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246081864 987377991 /nfs/dbraw/zinc/37/79/91/987377991.db2.gz JPQBORGBUGSHEH-GMXVVIOVSA-N 1 3 244.354 1.217 20 0 BDADHO Cc1cc(C)n(CCN[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246086224 987385950 /nfs/dbraw/zinc/38/59/50/987385950.db2.gz SNIBYIPIIDBIJY-MFKMUULPSA-N 1 3 236.363 1.230 20 0 BDADHO CCOC(=O)CC(C)(C)NC1CC[NH2+]CC1 ZINC001246090006 987395186 /nfs/dbraw/zinc/39/51/86/987395186.db2.gz UQNVZWXQDUGMSY-UHFFFAOYSA-N 1 3 228.336 1.060 20 0 BDADHO CCOC(=O)CC(C)(C)[NH2+]C1CCNCC1 ZINC001246090006 987395190 /nfs/dbraw/zinc/39/51/90/987395190.db2.gz UQNVZWXQDUGMSY-UHFFFAOYSA-N 1 3 228.336 1.060 20 0 BDADHO CC1(C)C[C@@H](N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246092625 987402930 /nfs/dbraw/zinc/40/29/30/987402930.db2.gz SZHSHRZGDHNBEH-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CCN1 ZINC001246095746 987404985 /nfs/dbraw/zinc/40/49/85/987404985.db2.gz RNXMAAPKBCVGHC-WHOHXGKFSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2F)CCN1 ZINC001246101021 987423056 /nfs/dbraw/zinc/42/30/56/987423056.db2.gz YNGZDBQYGCWQOJ-NOOOWODRSA-N 1 3 214.328 1.855 20 0 BDADHO CCOCC[C@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116049 987456701 /nfs/dbraw/zinc/45/67/01/987456701.db2.gz DDTONTKGNMCQSY-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](N)c1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC001246121889 987467659 /nfs/dbraw/zinc/46/76/59/987467659.db2.gz UYTBTCKRFYUYIB-QWRGUYRKSA-N 1 3 244.342 1.981 20 0 BDADHO CC[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC001246127672 987478670 /nfs/dbraw/zinc/47/86/70/987478670.db2.gz MDEAEKUMOUPLFY-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO CCCC[C@H](CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246137541 987495340 /nfs/dbraw/zinc/49/53/40/987495340.db2.gz ZGNLSOHPMBHABJ-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H](CC(C)C)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246144074 987504902 /nfs/dbraw/zinc/50/49/02/987504902.db2.gz BCJNVNNYZRYRQV-RQJABVFESA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)CCC[C@H](C)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246150226 987508883 /nfs/dbraw/zinc/50/88/83/987508883.db2.gz VQOAZEABGWYCGE-RFQIPJPRSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCN(C)c2ccccc2)CN1 ZINC001246177084 987551312 /nfs/dbraw/zinc/55/13/12/987551312.db2.gz SPDVXLYQZZFCET-KGLIPLIRSA-N 1 3 247.386 1.853 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CCN1 ZINC001246187972 987574681 /nfs/dbraw/zinc/57/46/81/987574681.db2.gz RSDLDCLGUIFKNF-KXNHARMFSA-N 1 3 212.337 1.020 20 0 BDADHO C1CC1(N[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001246194459 987585816 /nfs/dbraw/zinc/58/58/16/987585816.db2.gz HRARTCGGFYCONK-LBPRGKRZSA-N 1 3 224.348 1.287 20 0 BDADHO CCOC(=O)CC[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC001246196980 987591895 /nfs/dbraw/zinc/59/18/95/987591895.db2.gz JDZUWFKZWZTOLT-NEPJUHHUSA-N 1 3 242.363 1.307 20 0 BDADHO C[C@H]1CC[C@@H](n2nc(CN)c3ccccc32)C[NH2+]1 ZINC001246199439 987595691 /nfs/dbraw/zinc/59/56/91/987595691.db2.gz JXCLXNMOTSURJA-WDEREUQCSA-N 1 3 244.342 1.808 20 0 BDADHO CC1(C)C[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC001246221222 987620487 /nfs/dbraw/zinc/62/04/87/987620487.db2.gz JOOXDODGDPOAPT-MBYGNEARSA-N 1 3 224.348 1.427 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224682 987621725 /nfs/dbraw/zinc/62/17/25/987621725.db2.gz XZRBSFYNCXHNRI-VWYCJHECSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224679 987623061 /nfs/dbraw/zinc/62/30/61/987623061.db2.gz XZRBSFYNCXHNRI-OUAUKWLOSA-N 1 3 212.337 1.284 20 0 BDADHO OC12CCC(N[C@@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246264991 987657853 /nfs/dbraw/zinc/65/78/53/987657853.db2.gz MLCBOANPKVIVTL-PNESKVBLSA-N 1 3 224.348 1.166 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]C2CCN(CCF)CC2)CN1 ZINC001246273268 987664689 /nfs/dbraw/zinc/66/46/89/987664689.db2.gz PSRZEWJYEJQOPB-AAEUAGOBSA-N 1 3 243.370 1.150 20 0 BDADHO C[C@H]1CC[C@H](NC2CCN(CCF)CC2)C[NH2+]1 ZINC001246273268 987664693 /nfs/dbraw/zinc/66/46/93/987664693.db2.gz PSRZEWJYEJQOPB-AAEUAGOBSA-N 1 3 243.370 1.150 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCF)CC2)CCN1 ZINC001246270543 987666551 /nfs/dbraw/zinc/66/65/51/987666551.db2.gz GJZFEHSGUYSPAG-WCQYABFASA-N 1 3 243.370 1.150 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303316 987683286 /nfs/dbraw/zinc/68/32/86/987683286.db2.gz XGCRAMOHIMRFSL-RWMBFGLXSA-N 1 3 247.342 1.217 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303316 987683290 /nfs/dbraw/zinc/68/32/90/987683290.db2.gz XGCRAMOHIMRFSL-RWMBFGLXSA-N 1 3 247.342 1.217 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303316 987683296 /nfs/dbraw/zinc/68/32/96/987683296.db2.gz XGCRAMOHIMRFSL-RWMBFGLXSA-N 1 3 247.342 1.217 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)O)CCN1 ZINC001246299085 987692833 /nfs/dbraw/zinc/69/28/33/987692833.db2.gz FCBQAJQZLDWGSW-GHMZBOCLSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H](N)CC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246306672 987703690 /nfs/dbraw/zinc/70/36/90/987703690.db2.gz RRIQSCUCXXIICP-GUBZILKMSA-N 1 3 210.321 1.071 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC(=O)C2)CCN1 ZINC001246308353 987708920 /nfs/dbraw/zinc/70/89/20/987708920.db2.gz PYWYGCUXPFRMAO-OUAUKWLOSA-N 1 3 210.321 1.228 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308353 987708925 /nfs/dbraw/zinc/70/89/25/987708925.db2.gz PYWYGCUXPFRMAO-OUAUKWLOSA-N 1 3 210.321 1.228 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246320941 987729043 /nfs/dbraw/zinc/72/90/43/987729043.db2.gz LSEHPBGNNYNAMD-MFKMUULPSA-N 1 3 236.363 1.607 20 0 BDADHO CC1(N2CCOCC2)CCC([NH2+]CCF)CC1 ZINC001474483406 987733993 /nfs/dbraw/zinc/73/39/93/987733993.db2.gz GPIZGSYTLCXMNQ-UHFFFAOYSA-N 1 3 244.354 1.579 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2CCC(CCO)CC2)CCN1 ZINC001246331404 987738631 /nfs/dbraw/zinc/73/86/31/987738631.db2.gz BGIZMALTCRKZCU-RYSNWHEDSA-N 1 3 240.391 1.658 20 0 BDADHO COC(CCCN[C@H]1CC[C@H](C)[NH2+]C1)OC ZINC001246338735 987749136 /nfs/dbraw/zinc/74/91/36/987749136.db2.gz CKSJVYSPFKNFOY-QWRGUYRKSA-N 1 3 230.352 1.116 20 0 BDADHO COC(CCCN[C@H]1CC[C@@H](C)[NH2+]C1)OC ZINC001246338733 987750565 /nfs/dbraw/zinc/75/05/65/987750565.db2.gz CKSJVYSPFKNFOY-MNOVXSKESA-N 1 3 230.352 1.116 20 0 BDADHO COC[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC001246389687 987780859 /nfs/dbraw/zinc/78/08/59/987780859.db2.gz MUMFYMRAJUCTGJ-YUSALJHKSA-N 1 3 212.337 1.142 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC1 ZINC001246389687 987780864 /nfs/dbraw/zinc/78/08/64/987780864.db2.gz MUMFYMRAJUCTGJ-YUSALJHKSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)(Cc1ccncc1)[NH2+]C1CCNCC1 ZINC001246402951 987785184 /nfs/dbraw/zinc/78/51/84/987785184.db2.gz FKNVVMXBZSGALR-UHFFFAOYSA-N 1 3 233.359 1.744 20 0 BDADHO CCCC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415658 987791160 /nfs/dbraw/zinc/79/11/60/987791160.db2.gz JDDQXHSBSCWHBY-MNOVXSKESA-N 1 3 229.368 1.138 20 0 BDADHO CCC1(N[C@@H]2CC[C@@H](C)[NH2+]C2)CCOCC1 ZINC001246442445 987799485 /nfs/dbraw/zinc/79/94/85/987799485.db2.gz SGKMPFVQGQLFJQ-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC23CNC3)C[C@@H](C)C1 ZINC001246445558 987803560 /nfs/dbraw/zinc/80/35/60/987803560.db2.gz PAJNUHBTPZNBEY-QCNOEVLYSA-N 1 3 208.349 1.763 20 0 BDADHO Cc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23CNC3)cc1 ZINC001246448393 987805914 /nfs/dbraw/zinc/80/59/14/987805914.db2.gz YHLVGCZMIFPSOK-TZMCWYRMSA-N 1 3 230.355 1.878 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+][C@@H]2CC23CNC3)c1 ZINC001246447767 987806159 /nfs/dbraw/zinc/80/61/59/987806159.db2.gz WPGSPWDZGAMVAB-SMDDNHRTSA-N 1 3 246.354 1.578 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CCN1 ZINC001246446273 987806337 /nfs/dbraw/zinc/80/63/37/987806337.db2.gz LXQJHVBRDOUBEF-SWLSCSKDSA-N 1 3 248.370 1.452 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC001246500060 987854695 /nfs/dbraw/zinc/85/46/95/987854695.db2.gz NYDDPDBFCYJZRD-RNJOBUHISA-N 1 3 226.364 1.674 20 0 BDADHO N[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544752 987919989 /nfs/dbraw/zinc/91/99/89/987919989.db2.gz YNDUOTOBTZGEAB-WODVXLOZSA-N 1 3 224.348 1.510 20 0 BDADHO N[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544752 987920000 /nfs/dbraw/zinc/92/00/00/987920000.db2.gz YNDUOTOBTZGEAB-WODVXLOZSA-N 1 3 224.348 1.510 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246548390 987933929 /nfs/dbraw/zinc/93/39/29/987933929.db2.gz TVLOEZJUKZTTEZ-UTUOFQBUSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246548390 987933943 /nfs/dbraw/zinc/93/39/43/987933943.db2.gz TVLOEZJUKZTTEZ-UTUOFQBUSA-N 1 3 212.337 1.367 20 0 BDADHO CCC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001321978644 988072444 /nfs/dbraw/zinc/07/24/44/988072444.db2.gz QFQOJDDNVNQUKC-NWDGAFQWSA-N 1 3 243.395 1.077 20 0 BDADHO COC[C@@H](C)[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246583783 988124656 /nfs/dbraw/zinc/12/46/56/988124656.db2.gz KSCFQKVCZHIOLD-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@@H](C)[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246583783 988124663 /nfs/dbraw/zinc/12/46/63/988124663.db2.gz KSCFQKVCZHIOLD-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO C[NH2+][C@@H](C)CCNC(=O)[C@@H](N)C1CCCCC1 ZINC001118256389 988154303 /nfs/dbraw/zinc/15/43/03/988154303.db2.gz SCGSYNHBBFAKES-JQWIXIFHSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H]1CC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246589099 988157621 /nfs/dbraw/zinc/15/76/21/988157621.db2.gz YZYVOICBZIUTPA-MRBYEJRBSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC([N@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246589099 988157632 /nfs/dbraw/zinc/15/76/32/988157632.db2.gz YZYVOICBZIUTPA-MRBYEJRBSA-N 1 3 226.364 1.063 20 0 BDADHO CC1(C[NH3+])CN([C@H]2CCOC(C)(C)C2)C1 ZINC001246600659 988210915 /nfs/dbraw/zinc/21/09/15/988210915.db2.gz UBZGNYVATSMBPO-JTQLQIEISA-N 1 3 212.337 1.225 20 0 BDADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]C(C)C ZINC001495132990 988215868 /nfs/dbraw/zinc/21/58/68/988215868.db2.gz BRPHDJLHYOLTIE-GFCCVEGCSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630164 988303009 /nfs/dbraw/zinc/30/30/09/988303009.db2.gz HICXIBDCTQHPCA-ZDCRXTMVSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630164 988303027 /nfs/dbraw/zinc/30/30/27/988303027.db2.gz HICXIBDCTQHPCA-ZDCRXTMVSA-N 1 3 230.302 1.714 20 0 BDADHO FC1(F)C[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]21 ZINC001246629024 988305495 /nfs/dbraw/zinc/30/54/95/988305495.db2.gz DFYLIOZGCIWZRN-SCZZXKLOSA-N 1 3 216.275 1.325 20 0 BDADHO FC1(F)C[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]21 ZINC001246629024 988305510 /nfs/dbraw/zinc/30/55/10/988305510.db2.gz DFYLIOZGCIWZRN-SCZZXKLOSA-N 1 3 216.275 1.325 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634758 988322183 /nfs/dbraw/zinc/32/21/83/988322183.db2.gz OVRSTOCMZSOMAM-VLEAKVRGSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634758 988322197 /nfs/dbraw/zinc/32/21/97/988322197.db2.gz OVRSTOCMZSOMAM-VLEAKVRGSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634760 988322558 /nfs/dbraw/zinc/32/25/58/988322558.db2.gz OVRSTOCMZSOMAM-ZNSHCXBVSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634760 988322582 /nfs/dbraw/zinc/32/25/82/988322582.db2.gz OVRSTOCMZSOMAM-ZNSHCXBVSA-N 1 3 230.302 1.714 20 0 BDADHO CO[C@H]1CCC[C@@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641526 988344235 /nfs/dbraw/zinc/34/42/35/988344235.db2.gz JAMYRKQKNUTUBY-MROQNXINSA-N 1 3 224.348 1.380 20 0 BDADHO CC(C)[C@H]1C[C@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246832218 988525858 /nfs/dbraw/zinc/52/58/58/988525858.db2.gz AYFGMXLJZCGCGT-FDYHWXHSSA-N 1 3 243.370 1.134 20 0 BDADHO CC(C)[C@H]1C[C@@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246832232 988529059 /nfs/dbraw/zinc/52/90/59/988529059.db2.gz AYFGMXLJZCGCGT-UMSGYPCISA-N 1 3 243.370 1.134 20 0 BDADHO CC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001246850130 988564065 /nfs/dbraw/zinc/56/40/65/988564065.db2.gz HDECSRSKWOVIKJ-LLVKDONJSA-N 1 3 210.321 1.039 20 0 BDADHO CC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001246850130 988564073 /nfs/dbraw/zinc/56/40/73/988564073.db2.gz HDECSRSKWOVIKJ-LLVKDONJSA-N 1 3 210.321 1.039 20 0 BDADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859629 988591638 /nfs/dbraw/zinc/59/16/38/988591638.db2.gz MCQSAYOBCKQKOL-SVNGYHJRSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859629 988591657 /nfs/dbraw/zinc/59/16/57/988591657.db2.gz MCQSAYOBCKQKOL-SVNGYHJRSA-N 1 3 212.312 1.559 20 0 BDADHO C(OC[C@@H]1CC[N@@H+](C2CCNCC2)C1)C1CC1 ZINC001246867081 988619045 /nfs/dbraw/zinc/61/90/45/988619045.db2.gz WMEHXAHONMXLAI-CYBMUJFWSA-N 1 3 238.375 1.487 20 0 BDADHO C(OC[C@@H]1CC[N@H+](C2CCNCC2)C1)C1CC1 ZINC001246867081 988619054 /nfs/dbraw/zinc/61/90/54/988619054.db2.gz WMEHXAHONMXLAI-CYBMUJFWSA-N 1 3 238.375 1.487 20 0 BDADHO CCN1CCN([C@H]2CC[C@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996250 988829117 /nfs/dbraw/zinc/82/91/17/988829117.db2.gz WSHLPLDFTKJRBW-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CCN1 ZINC001247000846 988834006 /nfs/dbraw/zinc/83/40/06/988834006.db2.gz HCJYAXDEXOKGLS-XQHKEYJVSA-N 1 3 236.359 1.428 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CCN1 ZINC001247000846 988834010 /nfs/dbraw/zinc/83/40/10/988834010.db2.gz HCJYAXDEXOKGLS-XQHKEYJVSA-N 1 3 236.359 1.428 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)NCC[C@@H](C)[NH2+]C ZINC001326036307 989338544 /nfs/dbraw/zinc/33/85/44/989338544.db2.gz PAJJKMRZHQVQBM-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO CC[C@H](CO)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001119852919 989446875 /nfs/dbraw/zinc/44/68/75/989446875.db2.gz YSHZNXNWPYSSCS-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](CO)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001119852919 989446884 /nfs/dbraw/zinc/44/68/84/989446884.db2.gz YSHZNXNWPYSSCS-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](CO)N1CCC[C@H]([NH+](C)C)CC1 ZINC001119852919 989446890 /nfs/dbraw/zinc/44/68/90/989446890.db2.gz YSHZNXNWPYSSCS-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](O)CN[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001120521373 989694960 /nfs/dbraw/zinc/69/49/60/989694960.db2.gz JPEYIHDJNGVGFF-TUAOUCFPSA-N 1 3 226.364 1.220 20 0 BDADHO Cc1cnccc1CNC[C@H]1C[NH+]2CCC1CC2 ZINC001308965349 991241465 /nfs/dbraw/zinc/24/14/65/991241465.db2.gz FZYFWBKGKDTGTF-HNNXBMFYSA-N 1 3 245.370 1.821 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)[C@@H]1CCCO1 ZINC001308984904 991253148 /nfs/dbraw/zinc/25/31/48/991253148.db2.gz QFHXKHLBJGQZKT-VJTDZRGJSA-N 1 3 238.375 1.484 20 0 BDADHO CSC(C)(C)C[C@@H](C)[NH2+]C1CC(N)C1 ZINC001258335495 991259065 /nfs/dbraw/zinc/25/90/65/991259065.db2.gz YZSCSNIOBFRBDQ-XNWIYYODSA-N 1 3 216.394 1.986 20 0 BDADHO CO[C@@H](C)CNCC[C@H](C)[NH+]1CCCCC1 ZINC001560750959 991590216 /nfs/dbraw/zinc/59/02/16/991590216.db2.gz MJGXLYIAFAYWEZ-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CO[C@@H](C)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC001560750959 991590228 /nfs/dbraw/zinc/59/02/28/991590228.db2.gz MJGXLYIAFAYWEZ-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H](Cc1cccc(Cl)c1)NC[C@H](O)C[NH3+] ZINC001258739357 991689539 /nfs/dbraw/zinc/68/95/39/991689539.db2.gz XLJLRNSEXHGIAZ-BXKDBHETSA-N 1 3 242.750 1.180 20 0 BDADHO CCC[NH+]1CCC(NC[C@H]2CCO2)CC1 ZINC001258766459 991723436 /nfs/dbraw/zinc/72/34/36/991723436.db2.gz VATGYZGZXKLCHD-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]C(C)C)N(C)C ZINC001320606426 992268676 /nfs/dbraw/zinc/26/86/76/992268676.db2.gz GLHANLGRHPSRFP-NWDGAFQWSA-N 1 3 243.395 1.219 20 0 BDADHO CC(C)([NH2+]C[C@@]1(O)CCCNC1)c1ccccc1 ZINC001573484703 992579799 /nfs/dbraw/zinc/57/97/99/992579799.db2.gz PCJSOWDRWTXRBX-OAHLLOKOSA-N 1 3 248.370 1.626 20 0 BDADHO CCCN(C)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001262044397 992630143 /nfs/dbraw/zinc/63/01/43/992630143.db2.gz GEMLYSMNQWYAKB-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO C1C[C@@]2(C[NH2+]1)CCCCN([C@@H]1CCOC1)C2 ZINC001574801086 992912717 /nfs/dbraw/zinc/91/27/17/992912717.db2.gz NCRIOGFGOSLOBZ-CHWSQXEVSA-N 1 3 224.348 1.241 20 0 BDADHO CC[C@H](O)CN[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001262576204 992930404 /nfs/dbraw/zinc/93/04/04/992930404.db2.gz JVJCZMPYKZCVCQ-AXFHLTTASA-N 1 3 214.353 1.076 20 0 BDADHO CC(C)(C[NH3+])CN[C@@H]1Cc2ccccc2[C@H]1O ZINC001575315622 993011566 /nfs/dbraw/zinc/01/15/66/993011566.db2.gz TWMMBFSUWXIJKW-CHWSQXEVSA-N 1 3 234.343 1.219 20 0 BDADHO CC(C)[C@H](CN)C[NH2+]C[C@H](CO)CC1CC1 ZINC001575422271 993041307 /nfs/dbraw/zinc/04/13/07/993041307.db2.gz GZLKZWSRQWWCCX-CHWSQXEVSA-N 1 3 228.380 1.216 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001263107157 993119412 /nfs/dbraw/zinc/11/94/12/993119412.db2.gz PGBFAMSSXDYJFE-YFKTTZPYSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@H](CCN)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962352 993141094 /nfs/dbraw/zinc/14/10/94/993141094.db2.gz PUVHYXULYNBYRX-KISRQWFGSA-N 1 3 224.348 1.127 20 0 BDADHO C[C@H](CN)[N@H+](C)C[C@]1(C)CCCCO1 ZINC001576004217 993155089 /nfs/dbraw/zinc/15/50/89/993155089.db2.gz AKKFZZXDSJCTAB-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H](CN)[N@@H+](C)C[C@]1(C)CCCCO1 ZINC001576004217 993155094 /nfs/dbraw/zinc/15/50/94/993155094.db2.gz AKKFZZXDSJCTAB-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H](C[NH2+]C[C@@H](N)CC(F)F)N(C)C1CC1 ZINC001576032343 993162808 /nfs/dbraw/zinc/16/28/08/993162808.db2.gz CHZQFMOGLKKPPG-BDAKNGLRSA-N 1 3 235.322 1.041 20 0 BDADHO CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665151 993198493 /nfs/dbraw/zinc/19/84/93/993198493.db2.gz FPNRRQKTWLYURO-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H](N)CC2)C1 ZINC000378665151 993198499 /nfs/dbraw/zinc/19/84/99/993198499.db2.gz FPNRRQKTWLYURO-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240476 993230929 /nfs/dbraw/zinc/23/09/29/993230929.db2.gz ZRFXFHMKXFTUNL-IJLUTSLNSA-N 1 3 242.363 1.258 20 0 BDADHO CC1(C)OC[C@H](CNC2(C[NH3+])CCCCC2)O1 ZINC001576495078 993321248 /nfs/dbraw/zinc/32/12/48/993321248.db2.gz KAJMFFJBQXNUPA-NSHDSACASA-N 1 3 242.363 1.389 20 0 BDADHO C[C@]1(CNCC2([NH3+])CCOCC2)CCCCO1 ZINC001576518842 993331595 /nfs/dbraw/zinc/33/15/95/993331595.db2.gz HTBJOHCEQFIUBM-GFCCVEGCSA-N 1 3 242.363 1.043 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC001576572307 993348972 /nfs/dbraw/zinc/34/89/72/993348972.db2.gz KOCRCHYSYNXENY-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@]1(C)CCCNC1 ZINC001576572307 993348979 /nfs/dbraw/zinc/34/89/79/993348979.db2.gz KOCRCHYSYNXENY-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[C@H](C)CN(CC[NH2+][C@H](CN)C2CC2)C1 ZINC001576590904 993360710 /nfs/dbraw/zinc/36/07/10/993360710.db2.gz DGSFHWAORBPTMC-MBNYWOFBSA-N 1 3 239.407 1.291 20 0 BDADHO C[C@@H]1C[C@H](C)CN(CC[NH2+][C@@H](CN)C2CC2)C1 ZINC001576590906 993361755 /nfs/dbraw/zinc/36/17/55/993361755.db2.gz DGSFHWAORBPTMC-SCRDCRAPSA-N 1 3 239.407 1.291 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC001576623727 993373062 /nfs/dbraw/zinc/37/30/62/993373062.db2.gz MNIXROADKXUCFV-DDHJBXDOSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H]1CCC[C@@H]1C[NH2+]CC12CC(C1)CN2 ZINC001576681775 993392961 /nfs/dbraw/zinc/39/29/61/993392961.db2.gz NGEVARSRVMXKIU-GMKTYKIGSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@H]1CCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC001576681775 993392966 /nfs/dbraw/zinc/39/29/66/993392966.db2.gz NGEVARSRVMXKIU-GMKTYKIGSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729688 993407775 /nfs/dbraw/zinc/40/77/75/993407775.db2.gz WCTPPPJWXGEMAD-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC001576729686 993408403 /nfs/dbraw/zinc/40/84/03/993408403.db2.gz VZVYCZBQXICMQA-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC001576729709 993410030 /nfs/dbraw/zinc/41/00/30/993410030.db2.gz WOOFAFUXVZMJER-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CN(C[C@]2(C)CCCCO2)CC[C@H]1[NH3+] ZINC001576801701 993428660 /nfs/dbraw/zinc/42/86/60/993428660.db2.gz UCVJAIKDISDKTQ-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC001576914764 993447840 /nfs/dbraw/zinc/44/78/40/993447840.db2.gz NGOIACOOZCYFJS-OXMQDWPZSA-N 1 3 212.337 1.029 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576914764 993447844 /nfs/dbraw/zinc/44/78/44/993447844.db2.gz NGOIACOOZCYFJS-OXMQDWPZSA-N 1 3 212.337 1.029 20 0 BDADHO CCC(CC)(CN)C[NH2+][C@H](C)CC(C)(C)O ZINC001577052158 993489761 /nfs/dbraw/zinc/48/97/61/993489761.db2.gz KOEDWZPLCOPFHJ-LLVKDONJSA-N 1 3 230.396 1.891 20 0 BDADHO CCC(CC)(C[NH3+])NCc1ccc(=O)[nH]c1 ZINC001577058777 993489877 /nfs/dbraw/zinc/48/98/77/993489877.db2.gz GYEXHEKNYIDEEI-UHFFFAOYSA-N 1 3 223.320 1.394 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN1CCCCCCC1 ZINC000383969697 993530842 /nfs/dbraw/zinc/53/08/42/993530842.db2.gz KILOPGABBGVBBH-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CC[C@]1(CO)CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577221177 993551986 /nfs/dbraw/zinc/55/19/86/993551986.db2.gz YJWNPDNRQOXRKW-RDBSUJKOSA-N 1 3 240.391 1.326 20 0 BDADHO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CNC ZINC001577418843 993658405 /nfs/dbraw/zinc/65/84/05/993658405.db2.gz FKLMDUSWWCVSBW-FRRDWIJNSA-N 1 3 228.380 1.515 20 0 BDADHO CCCOCCNC1CC[NH+](CC)CC1 ZINC000387385697 993709169 /nfs/dbraw/zinc/70/91/69/993709169.db2.gz ILYMLVUQBJHVHH-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO Cn1ncc(CNC(C)(C)CCC[NH+](C)C)n1 ZINC000387376438 993710212 /nfs/dbraw/zinc/71/02/12/993710212.db2.gz XQFCBPNDYWEYIJ-UHFFFAOYSA-N 1 3 239.367 1.025 20 0 BDADHO COCCC[N@@H+]1CCCC[C@H](CN)C1 ZINC000389303496 993744550 /nfs/dbraw/zinc/74/45/50/993744550.db2.gz MWMBSYLONPAIIP-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO COCCC[N@H+]1CCCC[C@H](CN)C1 ZINC000389303496 993744556 /nfs/dbraw/zinc/74/45/56/993744556.db2.gz MWMBSYLONPAIIP-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO CC[N@@H+]1CC[C@@H](n2c(C)nc3c2CNCC3)C1 ZINC000389617524 993753789 /nfs/dbraw/zinc/75/37/89/993753789.db2.gz ZTLCEOOGGLRTPA-LLVKDONJSA-N 1 3 234.347 1.104 20 0 BDADHO CC[N@H+]1CC[C@@H](n2c(C)nc3c2CNCC3)C1 ZINC000389617524 993753795 /nfs/dbraw/zinc/75/37/95/993753795.db2.gz ZTLCEOOGGLRTPA-LLVKDONJSA-N 1 3 234.347 1.104 20 0 BDADHO CCOC(C)(C)C[N@@H+]1CC[C@@](C)(N)C1 ZINC000702662601 994030420 /nfs/dbraw/zinc/03/04/20/994030420.db2.gz AHRBWLFWEHAYNV-LLVKDONJSA-N 1 3 200.326 1.225 20 0 BDADHO CCOC(C)(C)C[N@H+]1CC[C@@](C)(N)C1 ZINC000702662601 994030429 /nfs/dbraw/zinc/03/04/29/994030429.db2.gz AHRBWLFWEHAYNV-LLVKDONJSA-N 1 3 200.326 1.225 20 0 BDADHO c1cn(CC[N@@H+]2CC[C@@H](N3CCCC3)C2)cn1 ZINC000161566348 349473659 /nfs/dbraw/zinc/47/36/59/349473659.db2.gz NOAQIDNFVQQNOD-CYBMUJFWSA-N 1 3 234.347 1.053 20 0 BDADHO c1cn(CC[N@H+]2CC[C@@H](N3CCCC3)C2)cn1 ZINC000161566348 349473661 /nfs/dbraw/zinc/47/36/61/349473661.db2.gz NOAQIDNFVQQNOD-CYBMUJFWSA-N 1 3 234.347 1.053 20 0 BDADHO CN(C[C@@]1(C)CC[NH2+]C1)C1CCOCC1 ZINC000062911281 349496056 /nfs/dbraw/zinc/49/60/56/349496056.db2.gz ZZILMEWCPCWUTH-LBPRGKRZSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](Cc1cccs1)[NH2+]C[C@@H](C)CN ZINC000379574829 398153026 /nfs/dbraw/zinc/15/30/26/398153026.db2.gz LAHAQUUTDFAWQL-VHSXEESVSA-N 1 3 212.362 1.864 20 0 BDADHO COCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161825415 349509794 /nfs/dbraw/zinc/50/97/94/349509794.db2.gz MTTQXYFXMNXGDN-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO COCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161825415 349509795 /nfs/dbraw/zinc/50/97/95/349509795.db2.gz MTTQXYFXMNXGDN-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CS[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422943905 398160374 /nfs/dbraw/zinc/16/03/74/398160374.db2.gz ZBIDJIGXOSGATB-NFLHVTIKSA-N 1 3 214.378 1.611 20 0 BDADHO COCC[C@](C)(O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422976807 398161307 /nfs/dbraw/zinc/16/13/07/398161307.db2.gz JBBXVBLYPUBIMM-XQQFMLRXSA-N 1 3 244.379 1.024 20 0 BDADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCCC[NH3+] ZINC000423174791 398164347 /nfs/dbraw/zinc/16/43/47/398164347.db2.gz BWPWXKSEWYOOMQ-LBPRGKRZSA-N 1 3 249.358 1.366 20 0 BDADHO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCN ZINC000423174791 398164353 /nfs/dbraw/zinc/16/43/53/398164353.db2.gz BWPWXKSEWYOOMQ-LBPRGKRZSA-N 1 3 249.358 1.366 20 0 BDADHO COC[C@@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334260151 398194483 /nfs/dbraw/zinc/19/44/83/398194483.db2.gz RKCLILJIDLWLMO-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@@H](C)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334260151 398194486 /nfs/dbraw/zinc/19/44/86/398194486.db2.gz RKCLILJIDLWLMO-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000576708103 365665569 /nfs/dbraw/zinc/66/55/69/365665569.db2.gz DKQLMQUQAIADNT-XQHKEYJVSA-N 1 3 228.380 1.371 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180155371 538957644 /nfs/dbraw/zinc/95/76/44/538957644.db2.gz KWZYMDKSFGCKAN-JQWIXIFHSA-N 1 3 236.363 1.711 20 0 BDADHO COC[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166569444 361852965 /nfs/dbraw/zinc/85/29/65/361852965.db2.gz AAPKPKCEPJIIRX-NSHDSACASA-N 1 3 202.342 1.341 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(Cc2cncs2)C1 ZINC000166661109 361855095 /nfs/dbraw/zinc/85/50/95/361855095.db2.gz FZXJKIZNJWTHPY-JTQLQIEISA-N 1 3 225.361 1.704 20 0 BDADHO C[C@H](CC[NH2+]C1CSC1)N1CCCCC1 ZINC000380237535 538987519 /nfs/dbraw/zinc/98/75/19/538987519.db2.gz MSCYDUAXZWJVCS-LLVKDONJSA-N 1 3 228.405 1.956 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+]C1CCN(CC)CC1 ZINC000045689928 538992908 /nfs/dbraw/zinc/99/29/08/538992908.db2.gz HJVKLUMNUHVHQY-ZDUSSCGKSA-N 1 3 241.423 1.791 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)CCN(C)C ZINC000381130235 538994966 /nfs/dbraw/zinc/99/49/66/538994966.db2.gz KMGLSHQXLUEPMS-NXEZZACHSA-N 1 3 224.352 1.709 20 0 BDADHO C[C@@H]1CC[C@@H](N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000062948526 539017328 /nfs/dbraw/zinc/01/73/28/539017328.db2.gz VPNJDDBMHHSZJO-DGCLKSJQSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)N1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062948702 539017688 /nfs/dbraw/zinc/01/76/88/539017688.db2.gz HTZGYVGYROHERD-OLZOCXBDSA-N 1 3 225.380 1.153 20 0 BDADHO COCCCCC[NH+]1CCC(N(C)C)CC1 ZINC000171498922 342844321 /nfs/dbraw/zinc/84/43/21/342844321.db2.gz ILEISSXTUXHFBZ-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CCO[C@H](CN1CC[C@@H](C[NH+](C)C)C1)C1CC1 ZINC000625166750 342898999 /nfs/dbraw/zinc/89/89/99/342898999.db2.gz LHXUCVRXDONLTH-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000300360083 398343786 /nfs/dbraw/zinc/34/37/86/398343786.db2.gz SWPBKKKDAUYUAN-CHWSQXEVSA-N 1 3 228.380 1.874 20 0 BDADHO [NH3+]C[C@H]1CN(CCC2CCCC2)CCCO1 ZINC000313391362 259334283 /nfs/dbraw/zinc/33/42/83/259334283.db2.gz UVJWEAOTHRPQDN-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000678081884 488193029 /nfs/dbraw/zinc/19/30/29/488193029.db2.gz GDVPCYAIGKKEQS-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000678081884 488193032 /nfs/dbraw/zinc/19/30/32/488193032.db2.gz GDVPCYAIGKKEQS-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H](CCc1ccco1)[NH2+]C[C@@H](C)CN ZINC000308806308 259340492 /nfs/dbraw/zinc/34/04/92/259340492.db2.gz AGHFJGGGMFXACZ-WDEREUQCSA-N 1 3 210.321 1.785 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCO[C@@H]2C2CC2)C1 ZINC000236295689 343089153 /nfs/dbraw/zinc/08/91/53/343089153.db2.gz JFVIRNZTIXDQLG-YVECIDJPSA-N 1 3 224.348 1.413 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)N ZINC000237062705 343122236 /nfs/dbraw/zinc/12/22/36/343122236.db2.gz RAYARTMNRGUQBI-SECBINFHSA-N 1 3 221.304 1.082 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130248465 136271640 /nfs/dbraw/zinc/27/16/40/136271640.db2.gz PRJKEOUJVZLPTB-QJPTWQEYSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130248465 136271641 /nfs/dbraw/zinc/27/16/41/136271641.db2.gz PRJKEOUJVZLPTB-QJPTWQEYSA-N 1 3 212.337 1.238 20 0 BDADHO CCOC1CC([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000131602116 343183699 /nfs/dbraw/zinc/18/36/99/343183699.db2.gz HQVAHDZDWCFVLY-HSBZDZAISA-N 1 3 240.391 1.874 20 0 BDADHO CCOC1CC(NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000131602116 343183700 /nfs/dbraw/zinc/18/37/00/343183700.db2.gz HQVAHDZDWCFVLY-HSBZDZAISA-N 1 3 240.391 1.874 20 0 BDADHO CCOC1CC(NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000131602116 343183702 /nfs/dbraw/zinc/18/37/02/343183702.db2.gz HQVAHDZDWCFVLY-HSBZDZAISA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000397232630 262919156 /nfs/dbraw/zinc/91/91/56/262919156.db2.gz GZPRVMWJPJPFMA-UPJWGTAASA-N 1 3 226.364 1.519 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)CC1CCC1 ZINC000379926021 365737258 /nfs/dbraw/zinc/73/72/58/365737258.db2.gz UEXDOBVQASXGDW-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)CC1CCC1 ZINC000379926021 365737260 /nfs/dbraw/zinc/73/72/60/365737260.db2.gz UEXDOBVQASXGDW-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO CCN(CC)CCC[NH2+]CC1(C)COC1 ZINC000070616799 343333977 /nfs/dbraw/zinc/33/39/77/343333977.db2.gz CVWXDZAPVIHLQU-UHFFFAOYSA-N 1 3 214.353 1.344 20 0 BDADHO CC[NH+](CC)CCCNCC1(C)COC1 ZINC000070616799 343333979 /nfs/dbraw/zinc/33/39/79/343333979.db2.gz CVWXDZAPVIHLQU-UHFFFAOYSA-N 1 3 214.353 1.344 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000348756351 136297319 /nfs/dbraw/zinc/29/73/19/136297319.db2.gz NUTQFUZYJFZTFQ-AAEUAGOBSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCN[C@H](C)[C@@H]1C ZINC000348755676 136297336 /nfs/dbraw/zinc/29/73/36/136297336.db2.gz ILQJQDDWBBUYAJ-NEPJUHHUSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCN[C@H](C)[C@@H]1C ZINC000348755676 136297337 /nfs/dbraw/zinc/29/73/37/136297337.db2.gz ILQJQDDWBBUYAJ-NEPJUHHUSA-N 1 3 236.363 1.264 20 0 BDADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000037042944 343331641 /nfs/dbraw/zinc/33/16/41/343331641.db2.gz RSIRJDGNSSQXEI-LLVKDONJSA-N 1 3 249.358 1.814 20 0 BDADHO Cn1cncc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335637931 136302972 /nfs/dbraw/zinc/30/29/72/136302972.db2.gz YSSXQUBMHDQEQO-STQMWFEESA-N 1 3 248.374 1.242 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2ccccc2)C1 ZINC000166215979 136309339 /nfs/dbraw/zinc/30/93/39/136309339.db2.gz FSUJYXLUYMHCNL-GXTWGEPZSA-N 1 3 218.344 1.898 20 0 BDADHO COc1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000258740088 136373822 /nfs/dbraw/zinc/37/38/22/136373822.db2.gz KYNDIUYOJOLZLJ-JTQLQIEISA-N 1 3 208.305 1.380 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCC1)C1=CCN(C)CC1 ZINC000577056847 365796651 /nfs/dbraw/zinc/79/66/51/365796651.db2.gz XTGWWIVUPXUYBS-NSHDSACASA-N 1 3 224.348 1.141 20 0 BDADHO C[C@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@@H+]1C ZINC000624324715 343700063 /nfs/dbraw/zinc/70/00/63/343700063.db2.gz SNXRXXVVBZAYGE-QWRGUYRKSA-N 1 3 249.349 1.256 20 0 BDADHO C[C@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@H+]1C ZINC000624324715 343700066 /nfs/dbraw/zinc/70/00/66/343700066.db2.gz SNXRXXVVBZAYGE-QWRGUYRKSA-N 1 3 249.349 1.256 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000576187632 343722414 /nfs/dbraw/zinc/72/24/14/343722414.db2.gz AARRYUZOEBRRAL-UONOGXRCSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000392765927 349876114 /nfs/dbraw/zinc/87/61/14/349876114.db2.gz SUNFLAWLANHYHK-JQWIXIFHSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000392765927 349876116 /nfs/dbraw/zinc/87/61/16/349876116.db2.gz SUNFLAWLANHYHK-JQWIXIFHSA-N 1 3 235.331 1.360 20 0 BDADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCC1 ZINC000221391688 259372990 /nfs/dbraw/zinc/37/29/90/259372990.db2.gz UCKFNPAOTOGWAK-GJZGRUSLSA-N 1 3 248.370 1.402 20 0 BDADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCC1 ZINC000221391688 259372992 /nfs/dbraw/zinc/37/29/92/259372992.db2.gz UCKFNPAOTOGWAK-GJZGRUSLSA-N 1 3 248.370 1.402 20 0 BDADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCC1 ZINC000221391688 259372994 /nfs/dbraw/zinc/37/29/94/259372994.db2.gz UCKFNPAOTOGWAK-GJZGRUSLSA-N 1 3 248.370 1.402 20 0 BDADHO CC[C@@H](COC)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733341 344113330 /nfs/dbraw/zinc/11/33/30/344113330.db2.gz CXCUKIKIAALYOH-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000634734161 344114511 /nfs/dbraw/zinc/11/45/11/344114511.db2.gz YJXMZVOKGVEAHX-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccccn2)C1 ZINC000086401853 344216762 /nfs/dbraw/zinc/21/67/62/344216762.db2.gz YEAISPSFPMKMBW-WCQYABFASA-N 1 3 219.332 1.484 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000086401853 344216763 /nfs/dbraw/zinc/21/67/63/344216763.db2.gz YEAISPSFPMKMBW-WCQYABFASA-N 1 3 219.332 1.484 20 0 BDADHO COCCCC[N@@H+]1CCCC[C@H]1CCN ZINC000131058218 344226901 /nfs/dbraw/zinc/22/69/01/344226901.db2.gz DXFLODLBLCXZCW-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO COCCCC[N@H+]1CCCC[C@H]1CCN ZINC000131058218 344226903 /nfs/dbraw/zinc/22/69/03/344226903.db2.gz DXFLODLBLCXZCW-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO COCCCCN1CCCC[C@H]1CC[NH3+] ZINC000131058218 344226905 /nfs/dbraw/zinc/22/69/05/344226905.db2.gz DXFLODLBLCXZCW-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO COC[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000133310561 344317746 /nfs/dbraw/zinc/31/77/46/344317746.db2.gz UEANTOOXDPLGQA-WDEREUQCSA-N 1 3 202.342 1.327 20 0 BDADHO COC(=O)CCCCN(C)C1CC[NH2+]CC1 ZINC000600704767 344360188 /nfs/dbraw/zinc/36/01/88/344360188.db2.gz PXGBBLDYRWGXNS-UHFFFAOYSA-N 1 3 228.336 1.014 20 0 BDADHO COC(=O)CCCCN(C)CC[C@H]([NH3+])C(C)C ZINC000600707063 344360289 /nfs/dbraw/zinc/36/02/89/344360289.db2.gz XGPJKMLQHYBUQA-LBPRGKRZSA-N 1 3 244.379 1.635 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000577280545 344490358 /nfs/dbraw/zinc/49/03/58/344490358.db2.gz WSPSVUIGRHHHKZ-LPEHRKFASA-N 1 3 202.367 1.455 20 0 BDADHO C[C@@H](CC[NH+](C)C)NCc1[nH]nc2ccccc21 ZINC000381306478 344493269 /nfs/dbraw/zinc/49/32/69/344493269.db2.gz BXTTYOPBNVHDFV-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO CC[C@H]1CCC[N@H+](CCN2CCNCC2)C1 ZINC000037482600 344508951 /nfs/dbraw/zinc/50/89/51/344508951.db2.gz YFYOABPRNJBNPW-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO CC[C@H]1CCC[N@@H+](CCN2CCNCC2)C1 ZINC000037482600 344508952 /nfs/dbraw/zinc/50/89/52/344508952.db2.gz YFYOABPRNJBNPW-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@]1(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCS1 ZINC000628177680 344907052 /nfs/dbraw/zinc/90/70/52/344907052.db2.gz JWCQXIZFJYFAIU-YNEHKIRRSA-N 1 3 240.416 1.956 20 0 BDADHO C[C@]1(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCS1 ZINC000628177680 344907053 /nfs/dbraw/zinc/90/70/53/344907053.db2.gz JWCQXIZFJYFAIU-YNEHKIRRSA-N 1 3 240.416 1.956 20 0 BDADHO CCNCCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000579342112 344951145 /nfs/dbraw/zinc/95/11/45/344951145.db2.gz YEKOBDYDZQHCNR-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO CCNCCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000579342117 344951191 /nfs/dbraw/zinc/95/11/91/344951191.db2.gz YEKOBDYDZQHCNR-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009043 345117376 /nfs/dbraw/zinc/11/73/76/345117376.db2.gz JRWQOLWWUOKJTH-HZSPNIEDSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156009043 345117379 /nfs/dbraw/zinc/11/73/79/345117379.db2.gz JRWQOLWWUOKJTH-HZSPNIEDSA-N 1 3 248.374 1.488 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccc(C)cn2)CC1 ZINC000156597131 345192815 /nfs/dbraw/zinc/19/28/15/345192815.db2.gz UKVDAUGWQHHCCL-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000635003073 345205768 /nfs/dbraw/zinc/20/57/68/345205768.db2.gz FPNDGGXNKDZKEX-IJLUTSLNSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)O1 ZINC000635007863 345209040 /nfs/dbraw/zinc/20/90/40/345209040.db2.gz BNQUTHJPYFEJOW-VOAKCMCISA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNCC(C)(C)C2)CCO1 ZINC000635012154 345214651 /nfs/dbraw/zinc/21/46/51/345214651.db2.gz REYHKMDFHOAOFN-AGIUHOORSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CNc2ccccc21)C1CNC1 ZINC000635007872 345214959 /nfs/dbraw/zinc/21/49/59/345214959.db2.gz QCSNHNPGXVDEHB-NWDGAFQWSA-N 1 3 245.370 1.783 20 0 BDADHO C[C@H](NCC[C@@H]1CNc2ccccc21)C1C[NH2+]C1 ZINC000635007872 345214961 /nfs/dbraw/zinc/21/49/61/345214961.db2.gz QCSNHNPGXVDEHB-NWDGAFQWSA-N 1 3 245.370 1.783 20 0 BDADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000635007639 345215018 /nfs/dbraw/zinc/21/50/18/345215018.db2.gz WPZUKFNEEWGWSQ-IJLUTSLNSA-N 1 3 234.347 1.645 20 0 BDADHO CCSCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000158732623 345371404 /nfs/dbraw/zinc/37/14/04/345371404.db2.gz NOXGUHBDLRKRQG-VHSXEESVSA-N 1 3 202.367 1.551 20 0 BDADHO CC(C)OCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158749030 345373851 /nfs/dbraw/zinc/37/38/51/345373851.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158749030 345373852 /nfs/dbraw/zinc/37/38/52/345373852.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158749030 345373853 /nfs/dbraw/zinc/37/38/53/345373853.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158749030 345373854 /nfs/dbraw/zinc/37/38/54/345373854.db2.gz WRYCUMFPGAYTPL-KGLIPLIRSA-N 1 3 240.391 1.828 20 0 BDADHO CC(F)(F)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000393596597 345417559 /nfs/dbraw/zinc/41/75/59/345417559.db2.gz AVRSPGXMJQZZDC-DTWKUNHWSA-N 1 3 206.280 1.891 20 0 BDADHO C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000088728187 345544781 /nfs/dbraw/zinc/54/47/81/345544781.db2.gz BVPZRXMSXOFEBP-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159904475 345631055 /nfs/dbraw/zinc/63/10/55/345631055.db2.gz GJKWZWNUHFLVLG-BFHYXJOUSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159904475 345631057 /nfs/dbraw/zinc/63/10/57/345631057.db2.gz GJKWZWNUHFLVLG-BFHYXJOUSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CCCCO2)C1 ZINC000235707457 537903709 /nfs/dbraw/zinc/90/37/09/537903709.db2.gz DIROSGDUAWTKKK-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(CN)CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000235707457 537903718 /nfs/dbraw/zinc/90/37/18/537903718.db2.gz DIROSGDUAWTKKK-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(CN)CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000235707457 537903723 /nfs/dbraw/zinc/90/37/23/537903723.db2.gz DIROSGDUAWTKKK-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363576742 345798477 /nfs/dbraw/zinc/79/84/77/345798477.db2.gz CPUYYNNVOGNHHE-MQYQWHSLSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363576742 345798479 /nfs/dbraw/zinc/79/84/79/345798479.db2.gz CPUYYNNVOGNHHE-MQYQWHSLSA-N 1 3 238.375 1.173 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000562959371 345840071 /nfs/dbraw/zinc/84/00/71/345840071.db2.gz GPNFCIHYIISMAL-WCQYABFASA-N 1 3 222.332 1.848 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)o1 ZINC000562959371 345840075 /nfs/dbraw/zinc/84/00/75/345840075.db2.gz GPNFCIHYIISMAL-WCQYABFASA-N 1 3 222.332 1.848 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268857 323107214 /nfs/dbraw/zinc/10/72/14/323107214.db2.gz NCTSPJLLKYKPTC-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000563268857 323107215 /nfs/dbraw/zinc/10/72/15/323107215.db2.gz NCTSPJLLKYKPTC-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](CC(C)C)C1 ZINC000563268857 323107216 /nfs/dbraw/zinc/10/72/16/323107216.db2.gz NCTSPJLLKYKPTC-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000381130273 537954728 /nfs/dbraw/zinc/95/47/28/537954728.db2.gz KMGLSHQXLUEPMS-VHSXEESVSA-N 1 3 224.352 1.709 20 0 BDADHO Cc1cccc(C)c1C[N@@H+]1CCCO[C@H](CN)C1 ZINC000313348753 179036282 /nfs/dbraw/zinc/03/62/82/179036282.db2.gz IJGLQQOUZKAKJP-CQSZACIVSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1cccc(C)c1C[N@H+]1CCCO[C@H](CN)C1 ZINC000313348753 179036283 /nfs/dbraw/zinc/03/62/83/179036283.db2.gz IJGLQQOUZKAKJP-CQSZACIVSA-N 1 3 248.370 1.853 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)CNC2CC2)c1 ZINC000153908925 346314306 /nfs/dbraw/zinc/31/43/06/346314306.db2.gz DDORLMDNMWKWFU-UHFFFAOYSA-N 1 3 247.342 1.487 20 0 BDADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H]2CN)C[C@@H](C)O1 ZINC000563435566 323125524 /nfs/dbraw/zinc/12/55/24/323125524.db2.gz NAKROTHDUJEHAJ-PRULPYPASA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2cncn2C)C1 ZINC000641797257 362742456 /nfs/dbraw/zinc/74/24/56/362742456.db2.gz ZMKOBKFDTWVPOF-RYUDHWBXSA-N 1 3 236.363 1.022 20 0 BDADHO Cn1cncc1CCN1CCCC[C@H]1CC[NH3+] ZINC000641798180 362742490 /nfs/dbraw/zinc/74/24/90/362742490.db2.gz IJIHCVPCCAWXTK-LBPRGKRZSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCCC[C@H]1CCN ZINC000641798180 362742497 /nfs/dbraw/zinc/74/24/97/362742497.db2.gz IJIHCVPCCAWXTK-LBPRGKRZSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCCC[C@H]1CCN ZINC000641798180 362742502 /nfs/dbraw/zinc/74/25/02/362742502.db2.gz IJIHCVPCCAWXTK-LBPRGKRZSA-N 1 3 236.363 1.166 20 0 BDADHO Cc1cccc(C[NH2+]C2CCNCC2)c1 ZINC000038040695 179090618 /nfs/dbraw/zinc/09/06/18/179090618.db2.gz HSTBJSGOOBEZIZ-UHFFFAOYSA-N 1 3 204.317 1.837 20 0 BDADHO CCC[C@@H]1CNCC[N@@H+]1CCc1cncn1C ZINC000641798143 362740197 /nfs/dbraw/zinc/74/01/97/362740197.db2.gz LJDORQCOVACUQX-CYBMUJFWSA-N 1 3 236.363 1.037 20 0 BDADHO CCC[C@@H]1CNCC[N@H+]1CCc1cncn1C ZINC000641798143 362740199 /nfs/dbraw/zinc/74/01/99/362740199.db2.gz LJDORQCOVACUQX-CYBMUJFWSA-N 1 3 236.363 1.037 20 0 BDADHO CCc1nc(C)c(CN2CCC(C[NH3+])CC2)o1 ZINC000641797080 362741621 /nfs/dbraw/zinc/74/16/21/362741621.db2.gz SFKWZYGZAQQPDN-UHFFFAOYSA-N 1 3 237.347 1.716 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)C1(C)C)C1CCCC1 ZINC000641801354 362755683 /nfs/dbraw/zinc/75/56/83/362755683.db2.gz PUQORTUUBMSLCU-UPJWGTAASA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@H]1C[C@@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801354 362755691 /nfs/dbraw/zinc/75/56/91/362755691.db2.gz PUQORTUUBMSLCU-UPJWGTAASA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCc1ccncc1 ZINC000641802268 362758167 /nfs/dbraw/zinc/75/81/67/362758167.db2.gz IRAUQADCRUAQMP-CHWSQXEVSA-N 1 3 233.359 1.730 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CO1 ZINC000402166833 349974758 /nfs/dbraw/zinc/97/47/58/349974758.db2.gz SWHTWMRZCATHNU-XHJNMGKDSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CO1 ZINC000402166829 349974980 /nfs/dbraw/zinc/97/49/80/349974980.db2.gz SWHTWMRZCATHNU-MBJXGIAVSA-N 1 3 238.375 1.674 20 0 BDADHO CC(C)C[C@@H](C[NH2+]C1CCN(C)CC1)N(C)C ZINC000020201143 187370489 /nfs/dbraw/zinc/37/04/89/187370489.db2.gz CUGNDAUCDFOLOQ-AWEZNQCLSA-N 1 3 241.423 1.647 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(CC[C@@H]1CCOC1)C2 ZINC000622004325 370654518 /nfs/dbraw/zinc/65/45/18/370654518.db2.gz NKUHWALLMLFBER-AGIUHOORSA-N 1 3 224.348 1.226 20 0 BDADHO CC1(CN2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000622004116 370653197 /nfs/dbraw/zinc/65/31/97/370653197.db2.gz KOBCUQOJUAOGIC-DGCLKSJQSA-N 1 3 208.349 1.990 20 0 BDADHO CN1CCC[N@H+](CCCNCC2(F)CC2)CC1 ZINC000684535961 488326445 /nfs/dbraw/zinc/32/64/45/488326445.db2.gz ZUVHYLNRPZHOKI-UHFFFAOYSA-N 1 3 243.370 1.106 20 0 BDADHO CN1CCC[N@@H+](CCCNCC2(F)CC2)CC1 ZINC000684535961 488326447 /nfs/dbraw/zinc/32/64/47/488326447.db2.gz ZUVHYLNRPZHOKI-UHFFFAOYSA-N 1 3 243.370 1.106 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)CC(C)(C)C1 ZINC000571103603 323135709 /nfs/dbraw/zinc/13/57/09/323135709.db2.gz FBJPZWLWNHAPQF-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)CC(C)(C)C1 ZINC000571103603 323135710 /nfs/dbraw/zinc/13/57/10/323135710.db2.gz FBJPZWLWNHAPQF-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO Cc1nccn1CCCN1CCC[C@H](C[NH3+])C1 ZINC000580328735 347163982 /nfs/dbraw/zinc/16/39/82/347163982.db2.gz CQWBZFMRAUWLSH-CYBMUJFWSA-N 1 3 236.363 1.252 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000250389674 362803060 /nfs/dbraw/zinc/80/30/60/362803060.db2.gz XYMOCFXISOBEHS-UTUOFQBUSA-N 1 3 228.405 1.812 20 0 BDADHO Cc1cccc(CN[C@H](C)CCCC[NH3+])n1 ZINC000380811383 347335767 /nfs/dbraw/zinc/33/57/67/347335767.db2.gz KAGXIAAVEMDDAO-LLVKDONJSA-N 1 3 221.348 1.997 20 0 BDADHO COCC[C@H]1CCCC[N@H+](CCCN)C1 ZINC000414756833 323151537 /nfs/dbraw/zinc/15/15/37/323151537.db2.gz KJRLFPYVIOYELI-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCC[C@H]1CCCC[N@@H+](CCCN)C1 ZINC000414756833 323151538 /nfs/dbraw/zinc/15/15/38/323151538.db2.gz KJRLFPYVIOYELI-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO CCOC(=O)CCC1CCN(CCC[NH3+])CC1 ZINC000591272385 347636820 /nfs/dbraw/zinc/63/68/20/347636820.db2.gz FUVOLQFHRGBSPD-UHFFFAOYSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCC1CC[NH+](CCCN)CC1 ZINC000591272385 347636821 /nfs/dbraw/zinc/63/68/21/347636821.db2.gz FUVOLQFHRGBSPD-UHFFFAOYSA-N 1 3 242.363 1.391 20 0 BDADHO COC(=O)CCC[N@H+](C1CC1)C1CCNCC1 ZINC000592471302 347789897 /nfs/dbraw/zinc/78/98/97/347789897.db2.gz UCFXRHHSGAVSKN-UHFFFAOYSA-N 1 3 240.347 1.156 20 0 BDADHO COC(=O)CCC[N@@H+](C1CC1)C1CCNCC1 ZINC000592471302 347789901 /nfs/dbraw/zinc/78/99/01/347789901.db2.gz UCFXRHHSGAVSKN-UHFFFAOYSA-N 1 3 240.347 1.156 20 0 BDADHO CCOC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000593729075 347938047 /nfs/dbraw/zinc/93/80/47/347938047.db2.gz FFQDETIWYQRYGR-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000593729075 347938050 /nfs/dbraw/zinc/93/80/50/347938050.db2.gz FFQDETIWYQRYGR-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO Cc1cccnc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228545965 179378428 /nfs/dbraw/zinc/37/84/28/179378428.db2.gz VUUJMUSKLITTDT-BFHYXJOUSA-N 1 3 245.370 1.949 20 0 BDADHO Cc1cccnc1CNCC1CC[NH+](C)CC1 ZINC000071339944 179383187 /nfs/dbraw/zinc/38/31/87/179383187.db2.gz WLRVYVSHUZBNRE-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO CCSC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000596649597 348605182 /nfs/dbraw/zinc/60/51/82/348605182.db2.gz CSNKWRCTHOUDDS-WDEREUQCSA-N 1 3 228.405 1.989 20 0 BDADHO CC(C)(CC[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000422536607 192424766 /nfs/dbraw/zinc/42/47/66/192424766.db2.gz FVBWYYAOLDEJMD-LBPRGKRZSA-N 1 3 249.358 1.320 20 0 BDADHO CCSCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000300858942 349380359 /nfs/dbraw/zinc/38/03/59/349380359.db2.gz CERLAZDXUFFXDO-MNOVXSKESA-N 1 3 216.394 1.989 20 0 BDADHO CCSCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300858945 349380463 /nfs/dbraw/zinc/38/04/63/349380463.db2.gz CERLAZDXUFFXDO-QWRGUYRKSA-N 1 3 216.394 1.989 20 0 BDADHO CC[C@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623530725 362948145 /nfs/dbraw/zinc/94/81/45/362948145.db2.gz KQBFZPSNKGAIAY-MNOVXSKESA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623530725 362948147 /nfs/dbraw/zinc/94/81/47/362948147.db2.gz KQBFZPSNKGAIAY-MNOVXSKESA-N 1 3 214.353 1.220 20 0 BDADHO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)CN)CCC2 ZINC000335469028 180074203 /nfs/dbraw/zinc/07/42/03/180074203.db2.gz XRWWAVWXDHNTNJ-APPZFPTMSA-N 1 3 225.361 1.766 20 0 BDADHO Cc1ncccc1CNCCOCC[NH+](C)C ZINC000310326235 180219958 /nfs/dbraw/zinc/21/99/58/180219958.db2.gz IUZIQMWMSJYTGC-UHFFFAOYSA-N 1 3 237.347 1.058 20 0 BDADHO C[N@@H+]1CC[C@H](NCC2=CCOCC2)CC1(C)C ZINC000623537310 362955709 /nfs/dbraw/zinc/95/57/09/362955709.db2.gz TWXLEKMEQDKCNN-ZDUSSCGKSA-N 1 3 238.375 1.796 20 0 BDADHO C[N@H+]1CC[C@H](NCC2=CCOCC2)CC1(C)C ZINC000623537310 362955712 /nfs/dbraw/zinc/95/57/12/362955712.db2.gz TWXLEKMEQDKCNN-ZDUSSCGKSA-N 1 3 238.375 1.796 20 0 BDADHO Cc1ncsc1C[NH2+][C@@H](C)CCN(C)C ZINC000084149336 180322681 /nfs/dbraw/zinc/32/26/81/180322681.db2.gz MMQXVDWDGUMSAH-VIFPVBQESA-N 1 3 227.377 1.881 20 0 BDADHO CCOC1CC([NH2+]C[C@@H]2CCN(CC)C2)C1 ZINC000162781825 350426883 /nfs/dbraw/zinc/42/68/83/350426883.db2.gz FTLLJIRXNBNKTN-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO CC1(CN2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000309507623 350679054 /nfs/dbraw/zinc/67/90/54/350679054.db2.gz NUJYFXMATCQABC-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1C[C@H]1CCCCO1 ZINC000252093431 363026833 /nfs/dbraw/zinc/02/68/33/363026833.db2.gz HLSTXJOTOCQHAY-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCCO1 ZINC000252093431 363026839 /nfs/dbraw/zinc/02/68/39/363026839.db2.gz HLSTXJOTOCQHAY-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCCO1 ZINC000252093431 363026844 /nfs/dbraw/zinc/02/68/44/363026844.db2.gz HLSTXJOTOCQHAY-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[N@@H+]1CC[C@H](CC(=O)Nc2cccc(CN)c2)C1 ZINC000637802303 351634620 /nfs/dbraw/zinc/63/46/20/351634620.db2.gz UJHKSRCTAJGDSF-GFCCVEGCSA-N 1 3 247.342 1.426 20 0 BDADHO C[N@H+]1CC[C@H](CC(=O)Nc2cccc(CN)c2)C1 ZINC000637802303 351634622 /nfs/dbraw/zinc/63/46/22/351634622.db2.gz UJHKSRCTAJGDSF-GFCCVEGCSA-N 1 3 247.342 1.426 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2CN)cn1 ZINC000577739765 366049273 /nfs/dbraw/zinc/04/92/73/366049273.db2.gz KPLCOFNCIDCPEY-JSGCOSHPSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CCN[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000577739765 366049277 /nfs/dbraw/zinc/04/92/77/366049277.db2.gz KPLCOFNCIDCPEY-JSGCOSHPSA-N 1 3 248.374 1.435 20 0 BDADHO CCC[C@@H](CN1CC[C@H](C[NH+](C)C)C1)OC ZINC000638075736 351948114 /nfs/dbraw/zinc/94/81/14/351948114.db2.gz HFOMRNCZARZAGS-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CCC[C@@H](CN1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638075739 351948232 /nfs/dbraw/zinc/94/82/32/351948232.db2.gz HFOMRNCZARZAGS-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000638068785 351940427 /nfs/dbraw/zinc/94/04/27/351940427.db2.gz ZJIAYOCDWSFTCJ-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO CC[C@H](C)[C@H](CN1CC[C@@H](C[NH+](C)C)C1)OC ZINC000638076823 351949445 /nfs/dbraw/zinc/94/94/45/351949445.db2.gz NHNCPKPZFAGDDP-IHRRRGAJSA-N 1 3 242.407 1.931 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638076850 351949587 /nfs/dbraw/zinc/94/95/87/351949587.db2.gz OBZDSSFSPVZXKL-GFCCVEGCSA-N 1 3 235.331 1.171 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000638076850 351949589 /nfs/dbraw/zinc/94/95/89/351949589.db2.gz OBZDSSFSPVZXKL-GFCCVEGCSA-N 1 3 235.331 1.171 20 0 BDADHO CC[C@H](C)[C@H](CN1CC[C@H](C[NH+](C)C)C1)OC ZINC000638076825 351950010 /nfs/dbraw/zinc/95/00/10/351950010.db2.gz NHNCPKPZFAGDDP-MJBXVCDLSA-N 1 3 242.407 1.931 20 0 BDADHO C[C@H](NCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638290929 352125130 /nfs/dbraw/zinc/12/51/30/352125130.db2.gz WMCFQLWFWFIVEX-DTWKUNHWSA-N 1 3 206.280 1.571 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@@H]1C[NH3+] ZINC000331390309 180676608 /nfs/dbraw/zinc/67/66/08/180676608.db2.gz QAXJMZKRIGAFMH-WXHSDQCUSA-N 1 3 248.374 1.515 20 0 BDADHO CC[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000638258467 352101908 /nfs/dbraw/zinc/10/19/08/352101908.db2.gz HXKWKQZOIJOUIS-SECBINFHSA-N 1 3 233.315 1.226 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638381003 352190949 /nfs/dbraw/zinc/19/09/49/352190949.db2.gz HCINXGGAFNTFPG-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](C[NH2+]CCC[C@@H]1CCO1)CN1CCCC1 ZINC000638385334 352195755 /nfs/dbraw/zinc/19/57/55/352195755.db2.gz HWQWVWIJOGZFOP-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+]1CCC[C@H](CNC[C@H](OC)C2CC2)C1 ZINC000638452420 352263307 /nfs/dbraw/zinc/26/33/07/352263307.db2.gz YXXQLEDBIUYAGS-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CCC[C@H](CNC[C@H](OC)C2CC2)C1 ZINC000638452420 352263308 /nfs/dbraw/zinc/26/33/08/352263308.db2.gz YXXQLEDBIUYAGS-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CN1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000411160851 191163387 /nfs/dbraw/zinc/16/33/87/191163387.db2.gz XKHOXNQPEQZUSE-UHFFFAOYSA-N 1 3 239.407 1.500 20 0 BDADHO CC(C)COCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261589652 535176687 /nfs/dbraw/zinc/17/66/87/535176687.db2.gz UAFWAMOFMXWPNY-YNEHKIRRSA-N 1 3 226.364 1.328 20 0 BDADHO Cc1n[nH]cc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533534 352352942 /nfs/dbraw/zinc/35/29/42/352352942.db2.gz JMZUKUDPFKHXHR-LLVKDONJSA-N 1 3 222.336 1.150 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCC(C)C ZINC000638577024 352408240 /nfs/dbraw/zinc/40/82/40/352408240.db2.gz VOXNFMBFWBDBEX-SDDRHHMPSA-N 1 3 241.379 1.007 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C(C)(C)C ZINC000422809359 192477050 /nfs/dbraw/zinc/47/70/50/192477050.db2.gz MCHPEJRABPPMAC-SDDRHHMPSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000349963050 133928869 /nfs/dbraw/zinc/92/88/69/133928869.db2.gz OEBIBWKAGXLFPY-NQBHXWOUSA-N 1 3 249.358 1.176 20 0 BDADHO CCOC1CC(C[NH2+]CC2=CCN(C)CC2)C1 ZINC000638838130 353022324 /nfs/dbraw/zinc/02/23/24/353022324.db2.gz CUCVIPJKBHTMHB-UHFFFAOYSA-N 1 3 238.375 1.653 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638815224 352996115 /nfs/dbraw/zinc/99/61/15/352996115.db2.gz BHHULMMZQDXKCY-TUAOUCFPSA-N 1 3 241.379 1.090 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943143 353141312 /nfs/dbraw/zinc/14/13/12/353141312.db2.gz QNDVFKCTJYRFAO-NQBHXWOUSA-N 1 3 241.379 1.138 20 0 BDADHO CC(C)C[C@@H](CO)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000360495653 188069202 /nfs/dbraw/zinc/06/92/02/188069202.db2.gz MMJRAWZSWRTWPV-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)C[C@@H](CO)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000360495653 188069203 /nfs/dbraw/zinc/06/92/03/188069203.db2.gz MMJRAWZSWRTWPV-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000368319089 188072433 /nfs/dbraw/zinc/07/24/33/188072433.db2.gz VGKIIYJEGIYWSX-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000368319089 188072435 /nfs/dbraw/zinc/07/24/35/188072435.db2.gz VGKIIYJEGIYWSX-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO C1CC([N@@H+]2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)C1 ZINC000371464176 188074751 /nfs/dbraw/zinc/07/47/51/188074751.db2.gz PHLILYKYWVXWME-YUTCNCBUSA-N 1 3 220.360 1.955 20 0 BDADHO C1CC([N@H+]2C[C@@H]3CN4CCCC[C@H]4[C@@H]3C2)C1 ZINC000371464176 188074752 /nfs/dbraw/zinc/07/47/52/188074752.db2.gz PHLILYKYWVXWME-YUTCNCBUSA-N 1 3 220.360 1.955 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367601846 188160535 /nfs/dbraw/zinc/16/05/35/188160535.db2.gz PWQNXLLAKGCHPE-MJBXVCDLSA-N 1 3 248.374 1.681 20 0 BDADHO CC[C@@H](C(=O)NC1(C[NH3+])CCCCC1)N(C)C ZINC000638999205 353245849 /nfs/dbraw/zinc/24/58/49/353245849.db2.gz XZXRTEIVQBNFPK-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)NCc1ccncc1OCC[NH+](C)C ZINC000135006706 538114460 /nfs/dbraw/zinc/11/44/60/538114460.db2.gz BISGNCYWYXULOO-UHFFFAOYSA-N 1 3 237.347 1.520 20 0 BDADHO C[C@H](c1ccccn1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000252698932 353303500 /nfs/dbraw/zinc/30/35/00/353303500.db2.gz PXIDIYDVKJNIQW-IJLUTSLNSA-N 1 3 219.332 1.812 20 0 BDADHO CCc1nc(CNCCCC[NH3+])cs1 ZINC000328467814 133960866 /nfs/dbraw/zinc/96/08/66/133960866.db2.gz MDCATCNKOHMRDG-UHFFFAOYSA-N 1 3 213.350 1.534 20 0 BDADHO CC(C)(C)[C@H](CCO)[NH2+]C1CCNCC1 ZINC000231076154 363336644 /nfs/dbraw/zinc/33/66/44/363336644.db2.gz OHIKHKUDYNXVIZ-NSHDSACASA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)(C)[C@H](CCO)NC1CC[NH2+]CC1 ZINC000231076154 363336646 /nfs/dbraw/zinc/33/66/46/363336646.db2.gz OHIKHKUDYNXVIZ-NSHDSACASA-N 1 3 214.353 1.125 20 0 BDADHO CCC[C@H](C)[N@H+](C)CCCN(C)CCN(C)C ZINC000344098219 354139918 /nfs/dbraw/zinc/13/99/18/354139918.db2.gz YDMMVKNUMWYARW-AWEZNQCLSA-N 1 3 243.439 1.990 20 0 BDADHO CCC[C@H](C)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344098219 354139921 /nfs/dbraw/zinc/13/99/21/354139921.db2.gz YDMMVKNUMWYARW-AWEZNQCLSA-N 1 3 243.439 1.990 20 0 BDADHO CCC[N@H+](CC)CCN1CCN(CC)CC1 ZINC000344127989 354146617 /nfs/dbraw/zinc/14/66/17/354146617.db2.gz HSQGZPMBTAICPD-UHFFFAOYSA-N 1 3 227.396 1.356 20 0 BDADHO CCC[N@@H+](CC)CCN1CCN(CC)CC1 ZINC000344127989 354146618 /nfs/dbraw/zinc/14/66/18/354146618.db2.gz HSQGZPMBTAICPD-UHFFFAOYSA-N 1 3 227.396 1.356 20 0 BDADHO CC(C)C[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449689478 202001757 /nfs/dbraw/zinc/00/17/57/202001757.db2.gz ZPJNKEGCGHLPQU-RYUDHWBXSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449683811 202002108 /nfs/dbraw/zinc/00/21/08/202002108.db2.gz OBKINJXCALUZBK-SRVKXCTJSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H]1C[C@H](CN2CCC([NH3+])CC2)CCO1 ZINC000334688987 354477484 /nfs/dbraw/zinc/47/74/84/354477484.db2.gz OEQXEXVNPYHGAV-YPMHNXCESA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H]1C[C@@H](CN2CCC([NH3+])CC2)CCO1 ZINC000334688984 354477522 /nfs/dbraw/zinc/47/75/22/354477522.db2.gz OEQXEXVNPYHGAV-AAEUAGOBSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000335133952 354781772 /nfs/dbraw/zinc/78/17/72/354781772.db2.gz XKUQUQUOPYQIDB-LDYMZIIASA-N 1 3 219.288 1.007 20 0 BDADHO C[C@H](CCNC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000345998398 354836316 /nfs/dbraw/zinc/83/63/16/354836316.db2.gz WHSBGUWMVOEFOF-SNPRPXQTSA-N 1 3 248.370 1.350 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])CC)C1(C)C ZINC000233745917 363407691 /nfs/dbraw/zinc/40/76/91/363407691.db2.gz FQYFWHLWBOCEIA-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO C(C[NH2+]C[C@H]1CCCOC1)CN1CCCCC1 ZINC000113462963 355006620 /nfs/dbraw/zinc/00/66/20/355006620.db2.gz GZVCJFRMPKNALB-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO Cc1n[nH]cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346827897 355127732 /nfs/dbraw/zinc/12/77/32/355127732.db2.gz MUEJMMRRWDCLPZ-CYZMBNFOSA-N 1 3 234.347 1.277 20 0 BDADHO COC(=O)CCC(C)(C)NC[C@@H]1CCC[NH2+]C1 ZINC000346974051 355209295 /nfs/dbraw/zinc/20/92/95/355209295.db2.gz JBYUDZKSOHYZHB-LLVKDONJSA-N 1 3 242.363 1.307 20 0 BDADHO COC(=O)CCC(C)(C)[NH2+]C[C@@H]1CCCNC1 ZINC000346974051 355209297 /nfs/dbraw/zinc/20/92/97/355209297.db2.gz JBYUDZKSOHYZHB-LLVKDONJSA-N 1 3 242.363 1.307 20 0 BDADHO COC(=O)C[C@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000346997568 355195689 /nfs/dbraw/zinc/19/56/89/355195689.db2.gz WZDZPTOSTUOXHF-VXGBXAGGSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346997568 355195692 /nfs/dbraw/zinc/19/56/92/355195692.db2.gz WZDZPTOSTUOXHF-VXGBXAGGSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346997568 355195698 /nfs/dbraw/zinc/19/56/98/355195698.db2.gz WZDZPTOSTUOXHF-VXGBXAGGSA-N 1 3 240.347 1.014 20 0 BDADHO C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000347619207 355237096 /nfs/dbraw/zinc/23/70/96/355237096.db2.gz AONBVNRGUUHLON-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO CC[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000412974449 191345101 /nfs/dbraw/zinc/34/51/01/191345101.db2.gz AMZVDUCUIUZAST-QNMSZWNNSA-N 1 3 240.391 1.968 20 0 BDADHO CC[C@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000412974449 191345104 /nfs/dbraw/zinc/34/51/04/191345104.db2.gz AMZVDUCUIUZAST-QNMSZWNNSA-N 1 3 240.391 1.968 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)cn1 ZINC000639245360 355266966 /nfs/dbraw/zinc/26/69/66/355266966.db2.gz WTHXWBHLALNPRC-STQMWFEESA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn1 ZINC000639245360 355266969 /nfs/dbraw/zinc/26/69/69/355266969.db2.gz WTHXWBHLALNPRC-STQMWFEESA-N 1 3 248.374 1.400 20 0 BDADHO CCN1C[C@H](C)[C@H](NCCC[NH+](CC)CC)C1 ZINC000347664116 355255077 /nfs/dbraw/zinc/25/50/77/355255077.db2.gz OUUBWNIOEFUOPT-UONOGXRCSA-N 1 3 241.423 1.648 20 0 BDADHO [NH3+]CCCN1CCC(Cc2cccnc2)CC1 ZINC000414735298 191556990 /nfs/dbraw/zinc/55/69/90/191556990.db2.gz GTDAARICKFFTNV-UHFFFAOYSA-N 1 3 233.359 1.685 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000261531933 535285496 /nfs/dbraw/zinc/28/54/96/535285496.db2.gz IKOGPMJAVXBCEB-IJLUTSLNSA-N 1 3 214.353 1.110 20 0 BDADHO CCCC[C@@H](COC)NC[C@H](C)C[NH2+]C ZINC000414834803 191594593 /nfs/dbraw/zinc/59/45/93/191594593.db2.gz HVBJARHQSPBCQW-NEPJUHHUSA-N 1 3 216.369 1.637 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@H](C)N1CCCCCC1 ZINC000349952349 355535623 /nfs/dbraw/zinc/53/56/23/355535623.db2.gz OTJARCSMFLITJD-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO c1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc1 ZINC000415011120 191649652 /nfs/dbraw/zinc/64/96/52/191649652.db2.gz QEEDQQFFIYOKQK-UONOGXRCSA-N 1 3 231.343 1.559 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000349963051 355542949 /nfs/dbraw/zinc/54/29/49/355542949.db2.gz OEBIBWKAGXLFPY-NTZNESFSSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@H]1CCCOC1 ZINC000389098024 355659124 /nfs/dbraw/zinc/65/91/24/355659124.db2.gz RCEUSYZELPDDGD-XDQVBPFNSA-N 1 3 240.391 1.909 20 0 BDADHO CC[NH+](CC)CCO[C@H]1CCN(CCOC)C1 ZINC000350182135 355621937 /nfs/dbraw/zinc/62/19/37/355621937.db2.gz XEENISKLZNWXGC-ZDUSSCGKSA-N 1 3 244.379 1.066 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000167323080 355991316 /nfs/dbraw/zinc/99/13/16/355991316.db2.gz LHQXKQGUUUQKFD-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000167323080 355991319 /nfs/dbraw/zinc/99/13/19/355991319.db2.gz LHQXKQGUUUQKFD-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CN(C)C1CC[NH+](CCCCF)CC1 ZINC000351861369 356099217 /nfs/dbraw/zinc/09/92/17/356099217.db2.gz ZNCLCNYLTLZWSF-UHFFFAOYSA-N 1 3 202.317 1.762 20 0 BDADHO C[C@@H]1CN(CCCc2ccncc2)CC[C@H]1[NH3+] ZINC000420297286 192204248 /nfs/dbraw/zinc/20/42/48/192204248.db2.gz YLIKLFWDRXQHQC-TZMCWYRMSA-N 1 3 233.359 1.683 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000420273943 192196430 /nfs/dbraw/zinc/19/64/30/192196430.db2.gz NZNLRDGYJRINIU-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)N(C)C ZINC000617751855 356310654 /nfs/dbraw/zinc/31/06/54/356310654.db2.gz DUUAEDGREWYYMD-RYUDHWBXSA-N 1 3 243.395 1.029 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420318307 192214736 /nfs/dbraw/zinc/21/47/36/192214736.db2.gz OKHRZPUJTQEGBO-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCN)C1 ZINC000420303961 192209460 /nfs/dbraw/zinc/20/94/60/192209460.db2.gz OBIHMFYHNOWPRJ-YPMHNXCESA-N 1 3 228.380 1.502 20 0 BDADHO c1cc(CCCN2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000420309738 192210975 /nfs/dbraw/zinc/21/09/75/192210975.db2.gz FILSPTNKWCLTRK-HUUCEWRRSA-N 1 3 245.370 1.556 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000420369822 192227380 /nfs/dbraw/zinc/22/73/80/192227380.db2.gz JATZBBCVXIHRIK-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO CNCCC[N@H+]1CCCC[C@H](CCOC)C1 ZINC000420369822 192227382 /nfs/dbraw/zinc/22/73/82/192227382.db2.gz JATZBBCVXIHRIK-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO C[NH2+]CCCN1CCCC[C@H](CCOC)C1 ZINC000420369822 192227384 /nfs/dbraw/zinc/22/73/84/192227384.db2.gz JATZBBCVXIHRIK-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO COc1ccccc1[C@H](C)NCCOCC[NH3+] ZINC000420365452 192224138 /nfs/dbraw/zinc/22/41/38/192224138.db2.gz DVXDTTXPCWRUKT-NSHDSACASA-N 1 3 238.331 1.321 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCCO[C@H]1CC(C)C ZINC000420409376 192238924 /nfs/dbraw/zinc/23/89/24/192238924.db2.gz QNRLWGWNWFWWCV-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO CNCCC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000420409376 192238927 /nfs/dbraw/zinc/23/89/27/192238927.db2.gz QNRLWGWNWFWWCV-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H]1CCN(CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000420410738 192239340 /nfs/dbraw/zinc/23/93/40/192239340.db2.gz RHVMHCVFDWVIBM-AAEUAGOBSA-N 1 3 226.364 1.330 20 0 BDADHO CC[C@H]1CN(CC[NH3+])CCN1Cc1ccccc1 ZINC000420375496 192231128 /nfs/dbraw/zinc/23/11/28/192231128.db2.gz POEGXPJWKZYGDC-HNNXBMFYSA-N 1 3 247.386 1.542 20 0 BDADHO COCC[C@H](C)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420375783 192231506 /nfs/dbraw/zinc/23/15/06/192231506.db2.gz UMIDWCYVTHAVHO-NOOOWODRSA-N 1 3 214.353 1.388 20 0 BDADHO Cc1ccccc1[C@@H](C)NCCOCC[NH3+] ZINC000420373675 192231557 /nfs/dbraw/zinc/23/15/57/192231557.db2.gz MVHLBIPJGNSRCA-GFCCVEGCSA-N 1 3 222.332 1.621 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC[C@H]1CCCCO1 ZINC000420381230 192233519 /nfs/dbraw/zinc/23/35/19/192233519.db2.gz ZBIQHUHURXHPAP-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO CCOCC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000386080773 356490993 /nfs/dbraw/zinc/49/09/93/356490993.db2.gz GTYIYUYDIAPAEW-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](F)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336198508 134127383 /nfs/dbraw/zinc/12/73/83/134127383.db2.gz SDYGZAHZGMHKSA-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@H](F)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336198508 134127384 /nfs/dbraw/zinc/12/73/84/134127384.db2.gz SDYGZAHZGMHKSA-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@@H]1CC[C@H](O)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000421020960 192305653 /nfs/dbraw/zinc/30/56/53/192305653.db2.gz NTVMWDWRGOHVIW-AGIUHOORSA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H]1CC[C@H](O)CN1CC[C@@H]1CCC[N@H+]1C ZINC000421020960 192305654 /nfs/dbraw/zinc/30/56/54/192305654.db2.gz NTVMWDWRGOHVIW-AGIUHOORSA-N 1 3 226.364 1.316 20 0 BDADHO C[C@H](N[C@@H](CO)CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000423092937 192566021 /nfs/dbraw/zinc/56/60/21/192566021.db2.gz DXLVETXJIFTYTP-YNEHKIRRSA-N 1 3 242.407 1.761 20 0 BDADHO CCC[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000450402266 202155023 /nfs/dbraw/zinc/15/50/23/202155023.db2.gz KQJNNGFGAXAYCL-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CCC[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000450434634 202167689 /nfs/dbraw/zinc/16/76/89/202167689.db2.gz DLPWFLNNLZGHNC-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000450434634 202167692 /nfs/dbraw/zinc/16/76/92/202167692.db2.gz DLPWFLNNLZGHNC-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CC[C@@H]1CCCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000383698773 538664787 /nfs/dbraw/zinc/66/47/87/538664787.db2.gz VGLADBNNUUTJCX-ZIAGYGMSSA-N 1 3 242.407 1.952 20 0 BDADHO CC[C@@H]1CCCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000383698773 538664791 /nfs/dbraw/zinc/66/47/91/538664791.db2.gz VGLADBNNUUTJCX-ZIAGYGMSSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)[C@@H](C)C[NH2+]C1CCN(CC)CC1 ZINC000355319411 356755702 /nfs/dbraw/zinc/75/57/02/356755702.db2.gz RHEASCVEXATOEH-ZDUSSCGKSA-N 1 3 241.423 1.791 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262441377 535347791 /nfs/dbraw/zinc/34/77/91/535347791.db2.gz NHXSAEYHHMFSMJ-NEPJUHHUSA-N 1 3 241.379 1.138 20 0 BDADHO CN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623377272 356896521 /nfs/dbraw/zinc/89/65/21/356896521.db2.gz SPOMYXMGHMBXEO-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363220886 356953271 /nfs/dbraw/zinc/95/32/71/356953271.db2.gz JFPPAGFLTIHNEZ-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO CC(C)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363220886 356953273 /nfs/dbraw/zinc/95/32/73/356953273.db2.gz JFPPAGFLTIHNEZ-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@@H](N)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227563 192640097 /nfs/dbraw/zinc/64/00/97/192640097.db2.gz WFOWKAMUCQZZTI-FDYHWXHSSA-N 1 3 238.375 1.661 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@H]1CCOC ZINC000423230209 192641568 /nfs/dbraw/zinc/64/15/68/192641568.db2.gz CYLGHOJHGBUGQM-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CCO[C@@H](CC[NH+](C)C)CNCC1(F)CC1 ZINC000390502934 357098778 /nfs/dbraw/zinc/09/87/78/357098778.db2.gz VQMZPUQAQNBKIM-NSHDSACASA-N 1 3 232.343 1.435 20 0 BDADHO CSC[C@@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000399997674 357145013 /nfs/dbraw/zinc/14/50/13/357145013.db2.gz LITANOTYHFDMHO-QWRGUYRKSA-N 1 3 214.378 1.423 20 0 BDADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000391143187 357122761 /nfs/dbraw/zinc/12/27/61/357122761.db2.gz SCHCDIOIABNPPQ-QWHCGFSZSA-N 1 3 219.332 1.750 20 0 BDADHO [NH3+]C[C@H]1CCCN1[C@@H]1CCCSC1 ZINC000168798671 357236398 /nfs/dbraw/zinc/23/63/98/357236398.db2.gz RTPXFDFDEAEDNS-NXEZZACHSA-N 1 3 200.351 1.305 20 0 BDADHO CC(C)(C[NH2+][C@@H]1CCCOC1)CN1CCCC1 ZINC000357855619 538834773 /nfs/dbraw/zinc/83/47/73/538834773.db2.gz SKOWHVLSGRNJTC-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)(CN[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000357855619 538834777 /nfs/dbraw/zinc/83/47/77/538834777.db2.gz SKOWHVLSGRNJTC-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])cn1 ZINC000582839666 357413166 /nfs/dbraw/zinc/41/31/66/357413166.db2.gz HCAUKXYTJRQYKX-CMPLNLGQSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)N)cn1 ZINC000582839666 357413168 /nfs/dbraw/zinc/41/31/68/357413168.db2.gz HCAUKXYTJRQYKX-CMPLNLGQSA-N 1 3 221.348 1.648 20 0 BDADHO COC[C@H](C)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397313911 357511909 /nfs/dbraw/zinc/51/19/09/357511909.db2.gz PXOQJIWPRWXAPD-NDBYEHHHSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C)C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397313911 357511912 /nfs/dbraw/zinc/51/19/12/357511912.db2.gz PXOQJIWPRWXAPD-NDBYEHHHSA-N 1 3 228.380 1.574 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H]1CCC[NH2+]CC1 ZINC000230469326 357526056 /nfs/dbraw/zinc/52/60/56/357526056.db2.gz ISVKQXOOKVTEDQ-QWHCGFSZSA-N 1 3 228.380 1.515 20 0 BDADHO CCC(CC)[C@@H](O)CN[C@@H]1CCC[NH2+]CC1 ZINC000230469226 357526113 /nfs/dbraw/zinc/52/61/13/357526113.db2.gz ISVKQXOOKVTEDQ-OLZOCXBDSA-N 1 3 228.380 1.515 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000361152634 538868504 /nfs/dbraw/zinc/86/85/04/538868504.db2.gz JZFIPTHVXPAWAR-MELADBBJSA-N 1 3 241.423 1.647 20 0 BDADHO CC(C)CCOCCN1CC[C@@](C)(C[NH3+])C1 ZINC000232566666 357671346 /nfs/dbraw/zinc/67/13/46/357671346.db2.gz ITJMLIDMHSMKBN-ZDUSSCGKSA-N 1 3 228.380 1.720 20 0 BDADHO C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1CNC1 ZINC000423301000 192691319 /nfs/dbraw/zinc/69/13/19/192691319.db2.gz GNHLAMLTRSZOFU-UPJWGTAASA-N 1 3 236.359 1.143 20 0 BDADHO C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1CO ZINC000190899719 357737078 /nfs/dbraw/zinc/73/70/78/357737078.db2.gz WYAHLRMOTRRBFA-KGLIPLIRSA-N 1 3 240.391 1.423 20 0 BDADHO C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423301000 192691321 /nfs/dbraw/zinc/69/13/21/192691321.db2.gz GNHLAMLTRSZOFU-UPJWGTAASA-N 1 3 236.359 1.143 20 0 BDADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000235259034 357859490 /nfs/dbraw/zinc/85/94/90/357859490.db2.gz VIBNLYUZRVKNHT-RDBSUJKOSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416865 357860347 /nfs/dbraw/zinc/86/03/47/357860347.db2.gz KDSANHGEKWJESO-YNEHKIRRSA-N 1 3 242.407 1.856 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416865 357860349 /nfs/dbraw/zinc/86/03/49/357860349.db2.gz KDSANHGEKWJESO-YNEHKIRRSA-N 1 3 242.407 1.856 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)O1 ZINC000398193717 357860416 /nfs/dbraw/zinc/86/04/16/357860416.db2.gz YHQBIUNIYKIXBE-WRWGMCAJSA-N 1 3 212.337 1.413 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000192499114 357835713 /nfs/dbraw/zinc/83/57/13/357835713.db2.gz PTBSYXJZTINQMW-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[C@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1C ZINC000640141121 358232226 /nfs/dbraw/zinc/23/22/26/358232226.db2.gz YHYLBFCTECAFOD-ZIAGYGMSSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[C@H]1CN(C[C@H]2CCC[N@H+]2C)CCN1C ZINC000640141121 358232230 /nfs/dbraw/zinc/23/22/30/358232230.db2.gz YHYLBFCTECAFOD-ZIAGYGMSSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000040620890 358243410 /nfs/dbraw/zinc/24/34/10/358243410.db2.gz ZCZYSDZVIFKTOH-ZDUSSCGKSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@@H](C)S1 ZINC000226670105 358342798 /nfs/dbraw/zinc/34/27/98/358342798.db2.gz IQBNLJRJNPAIIW-UTUOFQBUSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCOCCN(C)C)[C@@H](C)C1 ZINC000219322685 134281598 /nfs/dbraw/zinc/28/15/98/134281598.db2.gz OOEVUCUEQCJXDK-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)CCOCC[N@H+](C)C1CCNCC1 ZINC000049267759 358678565 /nfs/dbraw/zinc/67/85/65/358678565.db2.gz PLXMORCXHOXBCQ-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)CCOCC[N@@H+](C)C1CCNCC1 ZINC000049267759 358678567 /nfs/dbraw/zinc/67/85/67/358678567.db2.gz PLXMORCXHOXBCQ-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@H](CO)C1 ZINC000051887362 358765260 /nfs/dbraw/zinc/76/52/60/358765260.db2.gz AFBUHSODFOFKFZ-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@H](CO)C1 ZINC000051887362 358765261 /nfs/dbraw/zinc/76/52/61/358765261.db2.gz AFBUHSODFOFKFZ-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO COC(=O)CCC[N@H+](C)CCCN1CCCC1 ZINC000050065078 358711696 /nfs/dbraw/zinc/71/16/96/358711696.db2.gz XIGLMZMSDQXGNE-UHFFFAOYSA-N 1 3 242.363 1.357 20 0 BDADHO COC(=O)CCC[N@@H+](C)CCCN1CCCC1 ZINC000050065078 358711697 /nfs/dbraw/zinc/71/16/97/358711697.db2.gz XIGLMZMSDQXGNE-UHFFFAOYSA-N 1 3 242.363 1.357 20 0 BDADHO [NH3+]C[C@H]1CCN(CCCOc2ccccc2)C1 ZINC000050248092 358721840 /nfs/dbraw/zinc/72/18/40/358721840.db2.gz GALNRGZILARTED-CYBMUJFWSA-N 1 3 234.343 1.736 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccco2)C1 ZINC000086402767 358966949 /nfs/dbraw/zinc/96/69/49/358966949.db2.gz PFZNHINKZSJQFR-QWRGUYRKSA-N 1 3 208.305 1.682 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246567738 359147488 /nfs/dbraw/zinc/14/74/88/359147488.db2.gz XSDMVWLOTYMMDP-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246567738 359147493 /nfs/dbraw/zinc/14/74/93/359147493.db2.gz XSDMVWLOTYMMDP-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000246567738 359147495 /nfs/dbraw/zinc/14/74/95/359147495.db2.gz XSDMVWLOTYMMDP-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO CCOCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247942592 359249612 /nfs/dbraw/zinc/24/96/12/359249612.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247942592 359249614 /nfs/dbraw/zinc/24/96/14/359249614.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247942592 359249617 /nfs/dbraw/zinc/24/96/17/359249617.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247942592 359249620 /nfs/dbraw/zinc/24/96/20/359249620.db2.gz DDQLUMBYAJTCLI-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H]1CCCO1 ZINC000247338160 359213612 /nfs/dbraw/zinc/21/36/12/359213612.db2.gz FXQZOKPVTZUWGO-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H]1CCCO1 ZINC000247338160 359213617 /nfs/dbraw/zinc/21/36/17/359213617.db2.gz FXQZOKPVTZUWGO-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258080 /nfs/dbraw/zinc/25/80/80/359258080.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258083 /nfs/dbraw/zinc/25/80/83/359258083.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258086 /nfs/dbraw/zinc/25/80/86/359258086.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000248169035 359258090 /nfs/dbraw/zinc/25/80/90/359258090.db2.gz UJLSIAXTIPBZTK-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CC[C@@H](N[C@@H](C)CCCC[NH3+])c1nccn1C ZINC000423435050 192767806 /nfs/dbraw/zinc/76/78/06/192767806.db2.gz ONLPPJWQAGWTDH-NWDGAFQWSA-N 1 3 238.379 1.978 20 0 BDADHO OCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000087647839 359921907 /nfs/dbraw/zinc/92/19/07/359921907.db2.gz XPZMPCPCROYNPC-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO OCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC000087647839 359921910 /nfs/dbraw/zinc/92/19/10/359921910.db2.gz XPZMPCPCROYNPC-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCCC(C)(C)C1 ZINC000578875270 366664404 /nfs/dbraw/zinc/66/44/04/366664404.db2.gz MXSDPKGXEJEGDB-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCCC(C)(C)C1 ZINC000578875270 366664410 /nfs/dbraw/zinc/66/44/10/366664410.db2.gz MXSDPKGXEJEGDB-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCCC(C)(C)C1 ZINC000578875270 366664416 /nfs/dbraw/zinc/66/44/16/366664416.db2.gz MXSDPKGXEJEGDB-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO CCNCCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000578878305 366664819 /nfs/dbraw/zinc/66/48/19/366664819.db2.gz MVPPFHXYENNXDS-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](C)O)C1 ZINC000578880550 366665701 /nfs/dbraw/zinc/66/57/01/366665701.db2.gz HIKOODPGHKDNSQ-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](C)O)C1 ZINC000578880550 366665704 /nfs/dbraw/zinc/66/57/04/366665704.db2.gz HIKOODPGHKDNSQ-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000578880550 366665706 /nfs/dbraw/zinc/66/57/06/366665706.db2.gz HIKOODPGHKDNSQ-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150307 359993766 /nfs/dbraw/zinc/99/37/66/359993766.db2.gz WCEURTJMGPDKDK-GXTWGEPZSA-N 1 3 234.343 1.652 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585452 360078730 /nfs/dbraw/zinc/07/87/30/360078730.db2.gz XSDMVWLOTYMMDP-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585452 360078735 /nfs/dbraw/zinc/07/87/35/360078735.db2.gz XSDMVWLOTYMMDP-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H](C)[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000090585452 360078739 /nfs/dbraw/zinc/07/87/39/360078739.db2.gz XSDMVWLOTYMMDP-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO [NH3+]CCCOC1CCN(Cc2cccnc2)CC1 ZINC000094070529 360294430 /nfs/dbraw/zinc/29/44/30/360294430.db2.gz LWKUHIGIMBLTLW-UHFFFAOYSA-N 1 3 249.358 1.411 20 0 BDADHO [NH3+]CCCOCCNCc1ccc(Cl)s1 ZINC000629397880 361047993 /nfs/dbraw/zinc/04/79/93/361047993.db2.gz FTWQJBBOYZVFFI-UHFFFAOYSA-N 1 3 248.779 1.857 20 0 BDADHO [NH3+]CCCOCCNCc1cc(F)cc(F)c1 ZINC000629399164 361048825 /nfs/dbraw/zinc/04/88/25/361048825.db2.gz NFHYZLNBLGFUTJ-UHFFFAOYSA-N 1 3 244.285 1.420 20 0 BDADHO [NH3+]CCCOCCNC/C=C/c1ccccc1 ZINC000629398217 361049493 /nfs/dbraw/zinc/04/94/93/361049493.db2.gz PHEMAIFBBMQDIM-XBXARRHUSA-N 1 3 234.343 1.655 20 0 BDADHO COc1ccsc1CNCCOCCC[NH3+] ZINC000629400462 361052047 /nfs/dbraw/zinc/05/20/47/361052047.db2.gz YNDQPJGMBNUKGA-UHFFFAOYSA-N 1 3 244.360 1.212 20 0 BDADHO CC[C@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424223011 200892828 /nfs/dbraw/zinc/89/28/28/200892828.db2.gz KKFDWAPSGWVSJR-NSHDSACASA-N 1 3 221.304 1.130 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511938 361105936 /nfs/dbraw/zinc/10/59/36/361105936.db2.gz CKTQNPSJXGNAHP-KKUMJFAQSA-N 1 3 246.354 1.597 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCCOC1 ZINC000629510949 361110461 /nfs/dbraw/zinc/11/04/61/361110461.db2.gz YNMDZZZTYLGKDK-TUAOUCFPSA-N 1 3 214.353 1.519 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccccc1 ZINC000629529313 361138181 /nfs/dbraw/zinc/13/81/81/361138181.db2.gz ZFKUMFVDBWECAO-GFCCVEGCSA-N 1 3 222.332 1.573 20 0 BDADHO N[C@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000041027792 361147580 /nfs/dbraw/zinc/14/75/80/361147580.db2.gz PYXJBXWJMVXNCO-NSHDSACASA-N 1 3 240.347 1.095 20 0 BDADHO N[C@H]1CCC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000041027792 361147585 /nfs/dbraw/zinc/14/75/85/361147585.db2.gz PYXJBXWJMVXNCO-NSHDSACASA-N 1 3 240.347 1.095 20 0 BDADHO CC(C)C1CC(NCC2([NH3+])CCOCC2)C1 ZINC000629521780 361121946 /nfs/dbraw/zinc/12/19/46/361121946.db2.gz UIFRIHCTITWSNS-UHFFFAOYSA-N 1 3 226.364 1.519 20 0 BDADHO C([NH2+]C1CCNCC1)[C@@H]1C[C@H]1C1CCC1 ZINC000424386853 200927152 /nfs/dbraw/zinc/92/71/52/200927152.db2.gz YBFNFWNDMKRJLJ-AAEUAGOBSA-N 1 3 208.349 1.764 20 0 BDADHO COCCCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000158708085 361210029 /nfs/dbraw/zinc/21/00/29/361210029.db2.gz YMLZEYJKBHTYDD-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO COCCCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000158708085 361210035 /nfs/dbraw/zinc/21/00/35/361210035.db2.gz YMLZEYJKBHTYDD-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044543 370677116 /nfs/dbraw/zinc/67/71/16/370677116.db2.gz KAEXDAKXVBWLPA-BEZKJRAVSA-N 1 3 226.364 1.374 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CCCN ZINC000162421034 361351254 /nfs/dbraw/zinc/35/12/54/361351254.db2.gz TXWBRNMYQJXDTE-SNVBAGLBSA-N 1 3 210.296 1.695 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)NCCC[NH3+] ZINC000162421034 361351259 /nfs/dbraw/zinc/35/12/59/361351259.db2.gz TXWBRNMYQJXDTE-SNVBAGLBSA-N 1 3 210.296 1.695 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000429528676 201112626 /nfs/dbraw/zinc/11/26/26/201112626.db2.gz NFCIRHWZMNOEOZ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000429528676 201112627 /nfs/dbraw/zinc/11/26/27/201112627.db2.gz NFCIRHWZMNOEOZ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CC[C@H]2CCCO2)CC1 ZINC000429528676 201112630 /nfs/dbraw/zinc/11/26/30/201112630.db2.gz NFCIRHWZMNOEOZ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CCO[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)C1CC1 ZINC000629537702 361400749 /nfs/dbraw/zinc/40/07/49/361400749.db2.gz PVAUUQYKQKGCME-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H](CN[C@@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537702 361400755 /nfs/dbraw/zinc/40/07/55/361400755.db2.gz PVAUUQYKQKGCME-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO Cc1cncc([C@H](C)NCCOCCC[NH3+])c1 ZINC000629537706 361401431 /nfs/dbraw/zinc/40/14/31/361401431.db2.gz KOXOOSFRVJYUSP-LBPRGKRZSA-N 1 3 237.347 1.406 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1cncs1 ZINC000629537880 361402537 /nfs/dbraw/zinc/40/25/37/361402537.db2.gz LCGCYGACRFJBLQ-VIFPVBQESA-N 1 3 229.349 1.159 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCN[C@H]1C)[C@@H]1CCCOC1 ZINC000629543569 361411354 /nfs/dbraw/zinc/41/13/54/361411354.db2.gz DCCLCMVPBDCDFD-WRWGMCAJSA-N 1 3 212.337 1.142 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629546754 361429744 /nfs/dbraw/zinc/42/97/44/361429744.db2.gz HHIPOHBAVPYTQE-QNWHQSFQSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629546754 361429747 /nfs/dbraw/zinc/42/97/47/361429747.db2.gz HHIPOHBAVPYTQE-QNWHQSFQSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000629547838 361432093 /nfs/dbraw/zinc/43/20/93/361432093.db2.gz VCDHKECESMWSKS-SYEHKZFSSA-N 1 3 208.349 1.905 20 0 BDADHO CN1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629551810 361444630 /nfs/dbraw/zinc/44/46/30/361444630.db2.gz XSHMJWSYGFSMPP-TUKIKUTGSA-N 1 3 245.370 1.815 20 0 BDADHO C[NH2+]CCOCCN(C)[C@H](C)c1ccncc1 ZINC000629570194 361459577 /nfs/dbraw/zinc/45/95/77/361459577.db2.gz JGWIQPANORXSOW-GFCCVEGCSA-N 1 3 237.347 1.310 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000629592442 361485320 /nfs/dbraw/zinc/48/53/20/361485320.db2.gz CYYMVRPHGZWKIE-CUZDEVPKSA-N 1 3 234.387 1.964 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccn(C)c2)C1 ZINC000629647551 361537494 /nfs/dbraw/zinc/53/74/94/361537494.db2.gz ZEPWVRTZKWQOJP-JQWIXIFHSA-N 1 3 207.321 1.194 20 0 BDADHO C[C@@H]1C[C@@H](C)N(Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648047 361539563 /nfs/dbraw/zinc/53/95/63/361539563.db2.gz FUJGJEJVFDBJBB-BZPMIXESSA-N 1 3 235.375 1.830 20 0 BDADHO C[C@H](NCC1=CCCOC1)[C@@H]1CCC[NH2+]C1 ZINC000629648358 361540839 /nfs/dbraw/zinc/54/08/39/361540839.db2.gz ULDDXDRSQSOCER-WCQYABFASA-N 1 3 224.348 1.311 20 0 BDADHO C[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CCCNC1 ZINC000629648358 361540845 /nfs/dbraw/zinc/54/08/45/361540845.db2.gz ULDDXDRSQSOCER-WCQYABFASA-N 1 3 224.348 1.311 20 0 BDADHO COC1(C[NH2+]C[C@]2(C)CCCNC2)CCCC1 ZINC000629648513 361540900 /nfs/dbraw/zinc/54/09/00/361540900.db2.gz VYCWTGWWQOATKE-CYBMUJFWSA-N 1 3 240.391 1.925 20 0 BDADHO COC1(CNC[C@]2(C)CCC[NH2+]C2)CCCC1 ZINC000629648513 361540904 /nfs/dbraw/zinc/54/09/04/361540904.db2.gz VYCWTGWWQOATKE-CYBMUJFWSA-N 1 3 240.391 1.925 20 0 BDADHO COCc1ccc(CN[C@@H](C)CCC[NH3+])o1 ZINC000629649025 361542923 /nfs/dbraw/zinc/54/29/23/361542923.db2.gz FCGMICNANPRYGV-JTQLQIEISA-N 1 3 226.320 1.643 20 0 BDADHO CC1([NH2+]CC2=CCCOC2)CCNCC1 ZINC000629649203 361543701 /nfs/dbraw/zinc/54/37/01/361543701.db2.gz LYOCBTIYCQSKOV-UHFFFAOYSA-N 1 3 210.321 1.065 20 0 BDADHO Cn1ccc(C[NH2+][C@H]2CCNCC2(C)C)c1 ZINC000629649582 361544374 /nfs/dbraw/zinc/54/43/74/361544374.db2.gz WHUOOQIAKLPLDD-LBPRGKRZSA-N 1 3 221.348 1.503 20 0 BDADHO CC(C)[C@H]([NH3+])CCNCC1=CCCOC1 ZINC000629649463 361544736 /nfs/dbraw/zinc/54/47/36/361544736.db2.gz BSURFWCKFXXBQP-GFCCVEGCSA-N 1 3 212.337 1.296 20 0 BDADHO COC1(C[NH2+][C@H]2CCN[C@H](C)C2)CCCC1 ZINC000629649506 361545031 /nfs/dbraw/zinc/54/50/31/361545031.db2.gz UHWIUDBPIWMJGD-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO COC1(CN[C@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000629649506 361545035 /nfs/dbraw/zinc/54/50/35/361545035.db2.gz UHWIUDBPIWMJGD-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO Cn1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000629649799 361546280 /nfs/dbraw/zinc/54/62/80/361546280.db2.gz GYSCHADDMVZBKC-KBPBESRZSA-N 1 3 233.359 1.586 20 0 BDADHO Cn1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000629649799 361546287 /nfs/dbraw/zinc/54/62/87/361546287.db2.gz GYSCHADDMVZBKC-KBPBESRZSA-N 1 3 233.359 1.586 20 0 BDADHO Cn1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)c1 ZINC000629649799 361546294 /nfs/dbraw/zinc/54/62/94/361546294.db2.gz GYSCHADDMVZBKC-KBPBESRZSA-N 1 3 233.359 1.586 20 0 BDADHO C[C@]1(CN2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]C1 ZINC000629661857 361594876 /nfs/dbraw/zinc/59/48/76/361594876.db2.gz CYIKFPXLPXGARP-MELADBBJSA-N 1 3 238.375 1.080 20 0 BDADHO [NH3+]CCCOCCNCc1sccc1Cl ZINC000629682259 361603192 /nfs/dbraw/zinc/60/31/92/361603192.db2.gz ZMFSURXMGADUIQ-UHFFFAOYSA-N 1 3 248.779 1.857 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154566606 201282996 /nfs/dbraw/zinc/28/29/96/201282996.db2.gz DSRUCNLBJNKYHG-YIYPIFLZSA-N 1 3 239.407 1.399 20 0 BDADHO [NH3+]C1CCC(N[C@@H]2CCn3ccnc32)CC1 ZINC000329310509 181342562 /nfs/dbraw/zinc/34/25/62/181342562.db2.gz ZLLVEQLCWFFTHJ-VQXHTEKXSA-N 1 3 220.320 1.187 20 0 BDADHO CN(Cc1cnn(C)c1)CC1CC[NH+](C)CC1 ZINC000154705382 201289989 /nfs/dbraw/zinc/28/99/89/201289989.db2.gz KTTQTXHRPKUWGJ-UHFFFAOYSA-N 1 3 236.363 1.194 20 0 BDADHO C[NH2+]CCCN1CCN(C)CC12CCCCC2 ZINC000435881988 201296343 /nfs/dbraw/zinc/29/63/43/201296343.db2.gz CVWCGMABJHGXIW-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO CNCCC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000435873138 201292842 /nfs/dbraw/zinc/29/28/42/201292842.db2.gz TYHNYAPAZZVXPW-GXTWGEPZSA-N 1 3 242.407 1.763 20 0 BDADHO C[NH2+]CCCN[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000435873138 201292846 /nfs/dbraw/zinc/29/28/46/201292846.db2.gz TYHNYAPAZZVXPW-GXTWGEPZSA-N 1 3 242.407 1.763 20 0 BDADHO C(C[NH+]1CCCC1)N1CCN(CC2CC2)CC1 ZINC000155545887 201338410 /nfs/dbraw/zinc/33/84/10/201338410.db2.gz OOJMALIZBVGKPF-UHFFFAOYSA-N 1 3 237.391 1.110 20 0 BDADHO Cc1ccccc1NC(=O)C[C@@H](C)NCCC[NH3+] ZINC000437805194 201376643 /nfs/dbraw/zinc/37/66/43/201376643.db2.gz WRAYFNBBZQBSBC-GFCCVEGCSA-N 1 3 249.358 1.651 20 0 BDADHO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCN ZINC000437805194 201376645 /nfs/dbraw/zinc/37/66/45/201376645.db2.gz WRAYFNBBZQBSBC-GFCCVEGCSA-N 1 3 249.358 1.651 20 0 BDADHO CC(C)(C)[C@@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605956 364337627 /nfs/dbraw/zinc/33/76/27/364337627.db2.gz RDWIYCANELXZSC-KOLCDFICSA-N 1 3 237.351 1.076 20 0 BDADHO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCOC1 ZINC000398976430 364401470 /nfs/dbraw/zinc/40/14/70/364401470.db2.gz CYZPNRXIIJAHMT-LPWJVIDDSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCOC1 ZINC000398976432 364401714 /nfs/dbraw/zinc/40/17/14/364401714.db2.gz CYZPNRXIIJAHMT-VOAKCMCISA-N 1 3 226.364 1.532 20 0 BDADHO [NH3+]CC1CCN(Cc2cnc3ccccn23)CC1 ZINC000089201024 181365699 /nfs/dbraw/zinc/36/56/99/181365699.db2.gz XPLPQOQRRRWFTC-UHFFFAOYSA-N 1 3 244.342 1.505 20 0 BDADHO C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CCCO1 ZINC000335011688 541419180 /nfs/dbraw/zinc/41/91/80/541419180.db2.gz XDYGYCZRKIBIQC-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@@H]1CCCO1 ZINC000335011688 541419183 /nfs/dbraw/zinc/41/91/83/541419183.db2.gz XDYGYCZRKIBIQC-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO C(CN1CC[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CCCO1 ZINC000335011688 541419188 /nfs/dbraw/zinc/41/91/88/541419188.db2.gz XDYGYCZRKIBIQC-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO COC[C@@H](N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000168763066 365001360 /nfs/dbraw/zinc/00/13/60/365001360.db2.gz GGYCVSFIZWHHCJ-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCCNCC1)C(C)C ZINC000168763066 365001364 /nfs/dbraw/zinc/00/13/64/365001364.db2.gz GGYCVSFIZWHHCJ-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000574440885 365061910 /nfs/dbraw/zinc/06/19/10/365061910.db2.gz PLLZPFDOANPWRD-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO CC1CC([NH2+]CCN2CCN(C)C(C)(C)C2)C1 ZINC000442889188 193000939 /nfs/dbraw/zinc/00/09/39/193000939.db2.gz JIUVVFLPIRJVSW-UHFFFAOYSA-N 1 3 239.407 1.401 20 0 BDADHO Cc1n[nH]cc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000442926513 193004960 /nfs/dbraw/zinc/00/49/60/193004960.db2.gz YVHLPOMWIGACKV-NSHDSACASA-N 1 3 222.336 1.279 20 0 BDADHO C[C@H]([NH2+]CC1=CCCOC1)[C@H]1CCCCN1 ZINC000379829987 365286426 /nfs/dbraw/zinc/28/64/26/365286426.db2.gz XCWQOHSNZSBBRC-WCQYABFASA-N 1 3 224.348 1.453 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000575882027 365405034 /nfs/dbraw/zinc/40/50/34/365405034.db2.gz GJWVMTQVHASRCB-ITGHMWBKSA-N 1 3 238.375 1.804 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[C@@H](C)N)CCO1 ZINC000579833435 367038421 /nfs/dbraw/zinc/03/84/21/367038421.db2.gz AVOQAFKICZQEMV-FDYHWXHSSA-N 1 3 228.380 1.907 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCC2(F)CC2)C1 ZINC000580938171 367210849 /nfs/dbraw/zinc/21/08/49/367210849.db2.gz WOJZYBHOZWQYQO-LLVKDONJSA-N 1 3 214.328 1.810 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCC2(F)CC2)C1 ZINC000580938171 367210856 /nfs/dbraw/zinc/21/08/56/367210856.db2.gz WOJZYBHOZWQYQO-LLVKDONJSA-N 1 3 214.328 1.810 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000581125275 367268687 /nfs/dbraw/zinc/26/86/87/367268687.db2.gz FHVHUXHKTLHIKD-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000581125275 367268691 /nfs/dbraw/zinc/26/86/91/367268691.db2.gz FHVHUXHKTLHIKD-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CC[C@H]1CC[NH2+]C1 ZINC000380582971 367246838 /nfs/dbraw/zinc/24/68/38/367246838.db2.gz YFPRKHLIUSXLMD-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](F)C2)C1 ZINC000581260169 367311873 /nfs/dbraw/zinc/31/18/73/367311873.db2.gz FESPGYYVXVXORF-ZNSHCXBVSA-N 1 3 200.301 1.737 20 0 BDADHO CC(C)OCCCN1CCC[C@H](C[NH3+])C1 ZINC000381714341 367450750 /nfs/dbraw/zinc/45/07/50/367450750.db2.gz KUZNSFLEVBFAAE-GFCCVEGCSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H](O)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000581489207 367519315 /nfs/dbraw/zinc/51/93/15/367519315.db2.gz PJBQJACLSLIDAG-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114516 367598448 /nfs/dbraw/zinc/59/84/48/367598448.db2.gz ATFRMYOXTQQSGA-VHSXEESVSA-N 1 3 218.291 1.891 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CCO[C@@H]1C ZINC000581661121 367661670 /nfs/dbraw/zinc/66/16/70/367661670.db2.gz NPBJOTWRYYVTCS-GHMZBOCLSA-N 1 3 200.326 1.142 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000384035295 367669856 /nfs/dbraw/zinc/66/98/56/367669856.db2.gz DLGWAMYGPYAUSP-GRYCIOLGSA-N 1 3 228.405 1.847 20 0 BDADHO C[C@H](CN[C@@H]1C[C@@H](C)O[C@H]1C)C[NH+](C)C ZINC000384864987 367746133 /nfs/dbraw/zinc/74/61/33/367746133.db2.gz FCJXJHJRQQVEBL-WISYIIOYSA-N 1 3 214.353 1.340 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)CN1CCCC1 ZINC000384871276 367747530 /nfs/dbraw/zinc/74/75/30/367747530.db2.gz ILMAGUZIKLLHBZ-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](CN[C@@H]1C[C@H](C)O[C@@H]1C)C[NH+]1CCCC1 ZINC000384871276 367747539 /nfs/dbraw/zinc/74/75/39/367747539.db2.gz ILMAGUZIKLLHBZ-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](C)O1 ZINC000385224285 367810791 /nfs/dbraw/zinc/81/07/91/367810791.db2.gz SXHNDPGLPRQNQY-KSTCHIGDSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H](C)O1 ZINC000385224285 367810798 /nfs/dbraw/zinc/81/07/98/367810798.db2.gz SXHNDPGLPRQNQY-KSTCHIGDSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@H](C)O1 ZINC000385098823 367791128 /nfs/dbraw/zinc/79/11/28/367791128.db2.gz HHWORCLBQKTIBX-XHJNMGKDSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H](C)O1 ZINC000385098823 367791133 /nfs/dbraw/zinc/79/11/33/367791133.db2.gz HHWORCLBQKTIBX-XHJNMGKDSA-N 1 3 238.375 1.769 20 0 BDADHO CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000385881922 367873745 /nfs/dbraw/zinc/87/37/45/367873745.db2.gz LIBFHZMJZWYCPI-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO CCN(C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386575483 367994033 /nfs/dbraw/zinc/99/40/33/367994033.db2.gz NBHLPOKCNABZMG-NWDGAFQWSA-N 1 3 213.369 1.058 20 0 BDADHO C[C@H](NCCCCCO)[C@H]1CCCC[NH2+]1 ZINC000386580822 367996638 /nfs/dbraw/zinc/99/66/38/367996638.db2.gz OSOPVGPUDPUDOY-NWDGAFQWSA-N 1 3 214.353 1.269 20 0 BDADHO COCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386604855 368000413 /nfs/dbraw/zinc/00/04/13/368000413.db2.gz VOYMHULCXJDBPU-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@H](NCCN1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386464874 367979095 /nfs/dbraw/zinc/97/90/95/367979095.db2.gz PTCIWSKHQGTLSP-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H](c1cnccn1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386696304 368011190 /nfs/dbraw/zinc/01/11/90/368011190.db2.gz OXVGPGCPZNJILJ-UPJWGTAASA-N 1 3 246.358 1.469 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000252948632 368170074 /nfs/dbraw/zinc/17/00/74/368170074.db2.gz NSJDHYNXWSGIPZ-YNEHKIRRSA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000252948632 368170081 /nfs/dbraw/zinc/17/00/81/368170081.db2.gz NSJDHYNXWSGIPZ-YNEHKIRRSA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000252948632 368170088 /nfs/dbraw/zinc/17/00/88/368170088.db2.gz NSJDHYNXWSGIPZ-YNEHKIRRSA-N 1 3 228.380 1.730 20 0 BDADHO CC(C)COCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086402404 368880232 /nfs/dbraw/zinc/88/02/32/368880232.db2.gz WLONOFSUKCPRSY-QWHCGFSZSA-N 1 3 228.380 1.909 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623657115 368997281 /nfs/dbraw/zinc/99/72/81/368997281.db2.gz KBCYJHZTEHMYSH-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](C)C2)[C@H](C)O1 ZINC000623657134 368998141 /nfs/dbraw/zinc/99/81/41/368998141.db2.gz KIPXFXNWIXXATD-RFGFWPKPSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)[C@H](C)O1 ZINC000623657134 368998143 /nfs/dbraw/zinc/99/81/43/368998143.db2.gz KIPXFXNWIXXATD-RFGFWPKPSA-N 1 3 240.391 1.874 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000623655773 368991867 /nfs/dbraw/zinc/99/18/67/368991867.db2.gz FCVCHOGWKOABFT-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCOC2)C1 ZINC000623655773 368991869 /nfs/dbraw/zinc/99/18/69/368991869.db2.gz FCVCHOGWKOABFT-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCOC2)C1 ZINC000623655773 368991870 /nfs/dbraw/zinc/99/18/70/368991870.db2.gz FCVCHOGWKOABFT-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC[C@H](C)O ZINC000459407343 203277382 /nfs/dbraw/zinc/27/73/82/203277382.db2.gz LXPSYKMCRJPCMG-MJBXVCDLSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)O ZINC000459407343 203277385 /nfs/dbraw/zinc/27/73/85/203277385.db2.gz LXPSYKMCRJPCMG-MJBXVCDLSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)C[C@@H](C)CN1CCC([NH2+]CCO)CC1 ZINC000631862745 369583989 /nfs/dbraw/zinc/58/39/89/369583989.db2.gz MYKNNNYSECCMJB-CYBMUJFWSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000568261431 326336737 /nfs/dbraw/zinc/33/67/37/326336737.db2.gz UMEMEEMSPWFOBP-OLZOCXBDSA-N 1 3 226.364 1.172 20 0 BDADHO CCn1nccc1CC[N@H+](C)CC(C)(C)CN ZINC000621774012 370517015 /nfs/dbraw/zinc/51/70/15/370517015.db2.gz IJZUCPLAHSFZNP-UHFFFAOYSA-N 1 3 238.379 1.362 20 0 BDADHO CCn1nccc1CC[N@@H+](C)CC(C)(C)CN ZINC000621774012 370517019 /nfs/dbraw/zinc/51/70/19/370517019.db2.gz IJZUCPLAHSFZNP-UHFFFAOYSA-N 1 3 238.379 1.362 20 0 BDADHO Cc1nccn1CCCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784844 370537400 /nfs/dbraw/zinc/53/74/00/370537400.db2.gz VUTMNOKTSZLMRK-ZIAGYGMSSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621784844 370537405 /nfs/dbraw/zinc/53/74/05/370537405.db2.gz VUTMNOKTSZLMRK-ZIAGYGMSSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621784844 370537409 /nfs/dbraw/zinc/53/74/09/370537409.db2.gz VUTMNOKTSZLMRK-ZIAGYGMSSA-N 1 3 248.374 1.395 20 0 BDADHO CCn1nccc1CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000621775372 370522986 /nfs/dbraw/zinc/52/29/86/370522986.db2.gz NBQWYIULHKTSBV-VXGBXAGGSA-N 1 3 236.363 1.115 20 0 BDADHO COc1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cn1 ZINC000621776165 370524214 /nfs/dbraw/zinc/52/42/14/370524214.db2.gz DIQGGQXLLXMMKF-NSHDSACASA-N 1 3 237.347 1.553 20 0 BDADHO CC1(C)COC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000313012539 370561769 /nfs/dbraw/zinc/56/17/69/370561769.db2.gz BDAIFBALGGYUHV-VWYCJHECSA-N 1 3 212.337 1.271 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623867092 371134291 /nfs/dbraw/zinc/13/42/91/371134291.db2.gz QQJQFOGHRXIEGW-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623867092 371134297 /nfs/dbraw/zinc/13/42/97/371134297.db2.gz QQJQFOGHRXIEGW-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCCO2)C1 ZINC000623867092 371134303 /nfs/dbraw/zinc/13/43/03/371134303.db2.gz QQJQFOGHRXIEGW-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631055865 371173916 /nfs/dbraw/zinc/17/39/16/371173916.db2.gz AKIPAKXAZPYZNQ-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO CC[N@H+]1CCC[C@@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631055865 371173918 /nfs/dbraw/zinc/17/39/18/371173918.db2.gz AKIPAKXAZPYZNQ-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631055865 371173922 /nfs/dbraw/zinc/17/39/22/371173922.db2.gz AKIPAKXAZPYZNQ-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO COCC[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121318 371321802 /nfs/dbraw/zinc/32/18/02/371321802.db2.gz SZQOJTOIUDOCBT-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822909 372600559 /nfs/dbraw/zinc/60/05/59/372600559.db2.gz RPWTXTPAHAUKMR-WRWGMCAJSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822909 372600564 /nfs/dbraw/zinc/60/05/64/372600564.db2.gz RPWTXTPAHAUKMR-WRWGMCAJSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631823669 372585949 /nfs/dbraw/zinc/58/59/49/372585949.db2.gz KVZDCBNOLPCBEC-IRCOFANPSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631823669 372585953 /nfs/dbraw/zinc/58/59/53/372585953.db2.gz KVZDCBNOLPCBEC-IRCOFANPSA-N 1 3 212.337 1.081 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCO[C@@H]1C ZINC000631822167 372599369 /nfs/dbraw/zinc/59/93/69/372599369.db2.gz UZFHFARMNHNHIY-FRRDWIJNSA-N 1 3 228.380 1.717 20 0 BDADHO C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829637 372610233 /nfs/dbraw/zinc/61/02/33/372610233.db2.gz WNSIVSKVZWOFPN-MQYQWHSLSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829637 372610237 /nfs/dbraw/zinc/61/02/37/372610237.db2.gz WNSIVSKVZWOFPN-MQYQWHSLSA-N 1 3 238.375 1.472 20 0 BDADHO N[C@H]1CCCCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000631834694 372620324 /nfs/dbraw/zinc/62/03/24/372620324.db2.gz DEXKVVSEUQDOAF-QWHCGFSZSA-N 1 3 226.364 1.759 20 0 BDADHO N[C@H]1CCCCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000631834694 372620329 /nfs/dbraw/zinc/62/03/29/372620329.db2.gz DEXKVVSEUQDOAF-QWHCGFSZSA-N 1 3 226.364 1.759 20 0 BDADHO Cc1cc(C)n(CCN2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631837069 372627279 /nfs/dbraw/zinc/62/72/79/372627279.db2.gz MJSHGBRMLQLKPE-ZWNOBZJWSA-N 1 3 236.363 1.027 20 0 BDADHO COc1cccc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631838944 372633627 /nfs/dbraw/zinc/63/36/27/372633627.db2.gz XHXREPUQNAOPIU-WCQYABFASA-N 1 3 234.343 1.722 20 0 BDADHO Cc1nocc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459733389 206014037 /nfs/dbraw/zinc/01/40/37/206014037.db2.gz GNHZFIRJVLADCL-LBPRGKRZSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1nocc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459733389 206014042 /nfs/dbraw/zinc/01/40/42/206014042.db2.gz GNHZFIRJVLADCL-LBPRGKRZSA-N 1 3 237.347 1.805 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCCO1 ZINC000424382144 206039565 /nfs/dbraw/zinc/03/95/65/206039565.db2.gz ZXHUIMBCCFTDHJ-IRCOFANPSA-N 1 3 212.337 1.413 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000424377893 206039775 /nfs/dbraw/zinc/03/97/75/206039775.db2.gz NDRMWHSMBYMUSQ-LERXQTSPSA-N 1 3 249.358 1.413 20 0 BDADHO C[C@H](N)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000442665924 206081233 /nfs/dbraw/zinc/08/12/33/206081233.db2.gz RKIYHBPHUINVLB-WFASDCNBSA-N 1 3 248.370 1.706 20 0 BDADHO C[C@H](N)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000442665924 206081235 /nfs/dbraw/zinc/08/12/35/206081235.db2.gz RKIYHBPHUINVLB-WFASDCNBSA-N 1 3 248.370 1.706 20 0 BDADHO COC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000224437579 259575113 /nfs/dbraw/zinc/57/51/13/259575113.db2.gz HXDIZHICRZPJHC-SDDRHHMPSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224437579 259575114 /nfs/dbraw/zinc/57/51/14/259575114.db2.gz HXDIZHICRZPJHC-SDDRHHMPSA-N 1 3 214.353 1.484 20 0 BDADHO OCCCC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000365872883 183050761 /nfs/dbraw/zinc/05/07/61/183050761.db2.gz WYFXFIOFRXJEGY-UHFFFAOYSA-N 1 3 240.391 1.756 20 0 BDADHO OCCCCNC1CC[NH+](C2CCCC2)CC1 ZINC000365872883 183050763 /nfs/dbraw/zinc/05/07/63/183050763.db2.gz WYFXFIOFRXJEGY-UHFFFAOYSA-N 1 3 240.391 1.756 20 0 BDADHO O[C@@H](CN[C@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533451 183180170 /nfs/dbraw/zinc/18/01/70/183180170.db2.gz WJJCQCQQUROCLI-STQMWFEESA-N 1 3 238.375 1.365 20 0 BDADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356792027 169075941 /nfs/dbraw/zinc/07/59/41/169075941.db2.gz VWQGGAKKASEBHF-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356792027 169075944 /nfs/dbraw/zinc/07/59/44/169075944.db2.gz VWQGGAKKASEBHF-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CCCN(CCC[NH3+])C[C@H]1CCCCO1 ZINC000036230896 169156926 /nfs/dbraw/zinc/15/69/26/169156926.db2.gz SDXKAGMFKKRHPA-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCO[C@H]2C)CC1 ZINC000119911612 169189334 /nfs/dbraw/zinc/18/93/34/169189334.db2.gz LVSWQVNTDGQRBU-WCQYABFASA-N 1 3 226.364 1.628 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000336764432 169206939 /nfs/dbraw/zinc/20/69/39/169206939.db2.gz PXSSUWJPSMANDS-XQQFMLRXSA-N 1 3 210.365 1.964 20 0 BDADHO CCC[NH2+]CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000236767359 169258377 /nfs/dbraw/zinc/25/83/77/169258377.db2.gz OTNXIGLXUUORRA-CYBMUJFWSA-N 1 3 249.358 1.192 20 0 BDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)CN(C)C ZINC000360185001 169398936 /nfs/dbraw/zinc/39/89/36/169398936.db2.gz OMBWHNRIHDACHZ-NWDGAFQWSA-N 1 3 243.395 1.219 20 0 BDADHO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000261570672 535462485 /nfs/dbraw/zinc/46/24/85/535462485.db2.gz HAUUSMWCTIKERS-QWRGUYRKSA-N 1 3 222.332 1.911 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CCCCO)CC[C@H]21 ZINC000227342909 134377934 /nfs/dbraw/zinc/37/79/34/134377934.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CCCCO)CC[C@H]21 ZINC000227342909 134377935 /nfs/dbraw/zinc/37/79/35/134377935.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H]1C[C@H](NCCCC[NH3+])c2nccn21 ZINC000345362106 383967061 /nfs/dbraw/zinc/96/70/61/383967061.db2.gz VDPHDCLJVOLIDB-ZJUUUORDSA-N 1 3 208.309 1.217 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545992 384015360 /nfs/dbraw/zinc/01/53/60/384015360.db2.gz GTZXCRNAFWPMGY-CHWSQXEVSA-N 1 3 238.375 1.676 20 0 BDADHO COC[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545992 384015366 /nfs/dbraw/zinc/01/53/66/384015366.db2.gz GTZXCRNAFWPMGY-CHWSQXEVSA-N 1 3 238.375 1.676 20 0 BDADHO CCOC[C@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC000313250737 384152745 /nfs/dbraw/zinc/15/27/45/384152745.db2.gz SWKHRQJCLCCVFD-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000313250737 384152751 /nfs/dbraw/zinc/15/27/51/384152751.db2.gz SWKHRQJCLCCVFD-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000313250737 384152756 /nfs/dbraw/zinc/15/27/56/384152756.db2.gz SWKHRQJCLCCVFD-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO [NH3+]CC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000069626414 384247597 /nfs/dbraw/zinc/24/75/97/384247597.db2.gz ROKSDDMYNNSBBX-GFCCVEGCSA-N 1 3 219.332 1.642 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236216250 384251501 /nfs/dbraw/zinc/25/15/01/384251501.db2.gz XOZRTNPTHUQSGS-DZGCQCFKSA-N 1 3 230.355 1.871 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCCO2)C[C@H]1CN ZINC000397476081 384252474 /nfs/dbraw/zinc/25/24/74/384252474.db2.gz GWVQDZBLSHILBK-RQJABVFESA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCCO2)C[C@H]1CN ZINC000397476081 384252478 /nfs/dbraw/zinc/25/24/78/384252478.db2.gz GWVQDZBLSHILBK-RQJABVFESA-N 1 3 240.391 1.861 20 0 BDADHO NCc1ccccc1OCC[C@H]1CC[NH2+]C1 ZINC000644168579 384265212 /nfs/dbraw/zinc/26/52/12/384265212.db2.gz KFGOSKCXRRPLCF-LLVKDONJSA-N 1 3 220.316 1.524 20 0 BDADHO CCC[C@@H](C)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313340141 384271637 /nfs/dbraw/zinc/27/16/37/384271637.db2.gz LPYMHHAPDHKGQF-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401899545 384242176 /nfs/dbraw/zinc/24/21/76/384242176.db2.gz PPAHQHUBRRYUSZ-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000401899545 384242185 /nfs/dbraw/zinc/24/21/85/384242185.db2.gz PPAHQHUBRRYUSZ-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000401899545 384242190 /nfs/dbraw/zinc/24/21/90/384242190.db2.gz PPAHQHUBRRYUSZ-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCCC2)CO1 ZINC000401914279 384279654 /nfs/dbraw/zinc/27/96/54/384279654.db2.gz ZNEKANLIRNCGKF-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@H](C[NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000237567397 384296557 /nfs/dbraw/zinc/29/65/57/384296557.db2.gz RYDMLZGTKWVXLF-LLVKDONJSA-N 1 3 249.358 1.073 20 0 BDADHO C[C@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)CO1 ZINC000401973424 384357351 /nfs/dbraw/zinc/35/73/51/384357351.db2.gz PUGDZXPGJXFDDG-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000300380759 384359864 /nfs/dbraw/zinc/35/98/64/384359864.db2.gz DJEGGWAAHCEMMQ-GARJFASQSA-N 1 3 214.353 1.517 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000300380759 384359872 /nfs/dbraw/zinc/35/98/72/384359872.db2.gz DJEGGWAAHCEMMQ-GARJFASQSA-N 1 3 214.353 1.517 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])CC)C1(C)C ZINC000300381756 384362553 /nfs/dbraw/zinc/36/25/53/384362553.db2.gz FQYFWHLWBOCEIA-GMTAPVOTSA-N 1 3 214.353 1.517 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])CC)C1(C)C ZINC000300381757 384363558 /nfs/dbraw/zinc/36/35/58/384363558.db2.gz FQYFWHLWBOCEIA-OUAUKWLOSA-N 1 3 214.353 1.517 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000335600505 384370556 /nfs/dbraw/zinc/37/05/56/384370556.db2.gz DDKVNDVSAZEPKF-GFCCVEGCSA-N 1 3 226.389 1.734 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCCF)C[C@H]1CN ZINC000397327643 384328277 /nfs/dbraw/zinc/32/82/77/384328277.db2.gz VUABRRKBVBQKRR-OUAUKWLOSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCCF)C[C@H]1CN ZINC000397327643 384328279 /nfs/dbraw/zinc/32/82/79/384328279.db2.gz VUABRRKBVBQKRR-OUAUKWLOSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCCF)C[C@H]1C[NH3+] ZINC000397327643 384328287 /nfs/dbraw/zinc/32/82/87/384328287.db2.gz VUABRRKBVBQKRR-OUAUKWLOSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@]1(C[NH3+])CCN(CCc2ccccc2)C1 ZINC000235707290 384399282 /nfs/dbraw/zinc/39/92/82/384399282.db2.gz AAUAJOPHONLHPR-CQSZACIVSA-N 1 3 218.344 1.900 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCCN[C@@H]2C)CC1 ZINC000335644703 384418592 /nfs/dbraw/zinc/41/85/92/384418592.db2.gz YEZGSJPSONAFOY-DGCLKSJQSA-N 1 3 225.380 1.201 20 0 BDADHO CCN(C[C@@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513885 384428071 /nfs/dbraw/zinc/42/80/71/384428071.db2.gz NFWMBXGGVCMTOG-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C([NH2+][C@@H]1CCNC1)C1CCSCC1 ZINC000229216564 384463114 /nfs/dbraw/zinc/46/31/14/384463114.db2.gz RBPYPLLJMMNDIF-SNVBAGLBSA-N 1 3 200.351 1.081 20 0 BDADHO C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176657 384497986 /nfs/dbraw/zinc/49/79/86/384497986.db2.gz SMFIUEYWWOVVBH-YPMHNXCESA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]([NH2+]CCN)c1ccc2c(c1)OCO2 ZINC000037712420 384512301 /nfs/dbraw/zinc/51/23/01/384512301.db2.gz PDAMJOOGLFJCET-MRVPVSSYSA-N 1 3 208.261 1.025 20 0 BDADHO CC(C)[NH+](CCNC(=O)C1(N)CCC1)C(C)C ZINC000147437394 384524903 /nfs/dbraw/zinc/52/49/03/384524903.db2.gz LWMSMGAIGBDGJA-UHFFFAOYSA-N 1 3 241.379 1.103 20 0 BDADHO Cc1cccc(CC[NH2+][C@H]2CCC[C@H]2CN)n1 ZINC000423086248 384565932 /nfs/dbraw/zinc/56/59/32/384565932.db2.gz MRDATPYGRWYDGZ-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccc(CCN[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423086248 384565937 /nfs/dbraw/zinc/56/59/37/384565937.db2.gz MRDATPYGRWYDGZ-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)OC ZINC000356330615 384625431 /nfs/dbraw/zinc/62/54/31/384625431.db2.gz HFNBAKSHSHIHFA-JHJVBQTASA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H]1CC[C@H](NC2CCSCC2)C[NH2+]1 ZINC000306686081 384661038 /nfs/dbraw/zinc/66/10/38/384661038.db2.gz JULUPLWTVGSGGB-KOLCDFICSA-N 1 3 214.378 1.612 20 0 BDADHO CCCCOC1CCN(CCOCC[NH3+])CC1 ZINC000357072479 384776391 /nfs/dbraw/zinc/77/63/91/384776391.db2.gz KVICKUWBKVRQHR-UHFFFAOYSA-N 1 3 244.379 1.243 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])C(C)C)C1(C)C ZINC000300387176 384742092 /nfs/dbraw/zinc/74/20/92/384742092.db2.gz MIILQXHYHDTKML-SDDRHHMPSA-N 1 3 228.380 1.763 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647549878 384746391 /nfs/dbraw/zinc/74/63/91/384746391.db2.gz WKCWKXKITFJVCU-MELADBBJSA-N 1 3 239.407 1.448 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)COC ZINC000053172271 384767333 /nfs/dbraw/zinc/76/73/33/384767333.db2.gz UFHIWULLSXGVSP-NSHDSACASA-N 1 3 202.342 1.343 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1CCOC1 ZINC000309778349 384823710 /nfs/dbraw/zinc/82/37/10/384823710.db2.gz QKHGHSSIQYJDAH-XQQFMLRXSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000054343559 384831869 /nfs/dbraw/zinc/83/18/69/384831869.db2.gz PBWRUOYZBIZNOU-WCQYABFASA-N 1 3 249.358 1.000 20 0 BDADHO C[C@@H](C[NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000054343699 384832623 /nfs/dbraw/zinc/83/26/23/384832623.db2.gz PTJJULDGNNUNKS-AAEUAGOBSA-N 1 3 249.358 1.000 20 0 BDADHO C[NH2+]CCN[C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423247026 384781821 /nfs/dbraw/zinc/78/18/21/384781821.db2.gz OPVCMQYTZPNKEW-CABCVRRESA-N 1 3 247.386 1.631 20 0 BDADHO C[NH2+]CCN[C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423247029 384784552 /nfs/dbraw/zinc/78/45/52/384784552.db2.gz OPVCMQYTZPNKEW-LSDHHAIUSA-N 1 3 247.386 1.631 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000220682656 384890222 /nfs/dbraw/zinc/89/02/22/384890222.db2.gz JARMPRHJBYAWJR-KOLCDFICSA-N 1 3 214.378 1.742 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000398207576 384841492 /nfs/dbraw/zinc/84/14/92/384841492.db2.gz CDTAZJGFMMXDAR-BDAKNGLRSA-N 1 3 240.269 1.630 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOC(F)(F)F ZINC000398207576 384841495 /nfs/dbraw/zinc/84/14/95/384841495.db2.gz CDTAZJGFMMXDAR-BDAKNGLRSA-N 1 3 240.269 1.630 20 0 BDADHO CCN(C)CC[NH2+]C1CCN(C2CC2)CC1 ZINC000309282710 384889259 /nfs/dbraw/zinc/88/92/59/384889259.db2.gz UFCFETQLUQHGIC-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NCCc1cccnc1 ZINC000258922331 384953177 /nfs/dbraw/zinc/95/31/77/384953177.db2.gz IWAHYKUOEPRDJR-CHWSQXEVSA-N 1 3 219.332 1.484 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2c1NCC2 ZINC000566230028 384957829 /nfs/dbraw/zinc/95/78/29/384957829.db2.gz AAYVNGZHROHGDM-QWRGUYRKSA-N 1 3 233.359 1.870 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000156663269 384919996 /nfs/dbraw/zinc/91/99/96/384919996.db2.gz QGRXGHKHYFEEMV-VXGBXAGGSA-N 1 3 243.395 1.016 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336145831 384922741 /nfs/dbraw/zinc/92/27/41/384922741.db2.gz NKWMORNLNRXPAB-JSGCOSHPSA-N 1 3 237.391 1.178 20 0 BDADHO CC[C@@H](O)C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000644519536 384932979 /nfs/dbraw/zinc/93/29/79/384932979.db2.gz ZDBQBWMBKBVGSR-CQSZACIVSA-N 1 3 236.359 1.609 20 0 BDADHO CCOc1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000258799963 384935550 /nfs/dbraw/zinc/93/55/50/384935550.db2.gz REHJBYMXMSRQDM-NSHDSACASA-N 1 3 222.332 1.770 20 0 BDADHO Cc1nc(CCN[C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000226324252 384980105 /nfs/dbraw/zinc/98/01/05/384980105.db2.gz GSEMUAPLLRXNKS-PWSUYJOCSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1nc(CC[NH2+][C@H]2CCC[C@@H]2CN)cs1 ZINC000226324252 384980112 /nfs/dbraw/zinc/98/01/12/384980112.db2.gz GSEMUAPLLRXNKS-PWSUYJOCSA-N 1 3 239.388 1.711 20 0 BDADHO C[C@@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000644618146 385007516 /nfs/dbraw/zinc/00/75/16/385007516.db2.gz HKIXLTHPCNJJAY-GFCCVEGCSA-N 1 3 249.358 1.268 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000226396218 385008966 /nfs/dbraw/zinc/00/89/66/385008966.db2.gz YKIDYQWIDLQTBN-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000226396218 385008970 /nfs/dbraw/zinc/00/89/70/385008970.db2.gz YKIDYQWIDLQTBN-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403986 385012711 /nfs/dbraw/zinc/01/27/11/385012711.db2.gz LJEVZWOJDREIBG-LOWVWBTDSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403986 385012714 /nfs/dbraw/zinc/01/27/14/385012714.db2.gz LJEVZWOJDREIBG-LOWVWBTDSA-N 1 3 241.379 1.103 20 0 BDADHO C[NH+](C)CCCCNCc1ccns1 ZINC000404468321 385013816 /nfs/dbraw/zinc/01/38/16/385013816.db2.gz VNKGANWCLCFNAG-UHFFFAOYSA-N 1 3 213.350 1.575 20 0 BDADHO C[C@H](O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000226437503 385019948 /nfs/dbraw/zinc/01/99/48/385019948.db2.gz FFDBCCRFMOCKGP-NWDGAFQWSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000226437503 385019953 /nfs/dbraw/zinc/01/99/53/385019953.db2.gz FFDBCCRFMOCKGP-NWDGAFQWSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000644663737 385076854 /nfs/dbraw/zinc/07/68/54/385076854.db2.gz BEGDCHBEMZMLMO-CYBMUJFWSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H]1C[C@H](NCC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206351 385026096 /nfs/dbraw/zinc/02/60/96/385026096.db2.gz PSRFCCHJSYWWHR-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)CN2CCCC2)CO1 ZINC000647206351 385026102 /nfs/dbraw/zinc/02/61/02/385026102.db2.gz PSRFCCHJSYWWHR-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CCNC[C@H](C)O)[NH+]1CCCCC1 ZINC000644621039 385028407 /nfs/dbraw/zinc/02/84/07/385028407.db2.gz OBDAPDYKWACTCN-NEPJUHHUSA-N 1 3 214.353 1.221 20 0 BDADHO C[C@H](CC[NH2+]C[C@H](C)O)N1CCCCC1 ZINC000644621039 385028415 /nfs/dbraw/zinc/02/84/15/385028415.db2.gz OBDAPDYKWACTCN-NEPJUHHUSA-N 1 3 214.353 1.221 20 0 BDADHO CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246165361 385117274 /nfs/dbraw/zinc/11/72/74/385117274.db2.gz ARWLCBATKZTKMI-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO C([NH2+][C@@H]1CCCOCC1)[C@H]1CCCNC1 ZINC000308811447 385182329 /nfs/dbraw/zinc/18/23/29/385182329.db2.gz COJDFTFJWPJSJH-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CCc1ccc(CCN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422758992 385250172 /nfs/dbraw/zinc/25/01/72/385250172.db2.gz OQFYCFRHKMWQBR-LBPRGKRZSA-N 1 3 232.371 1.989 20 0 BDADHO CCc1ccc(CC[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422758992 385250179 /nfs/dbraw/zinc/25/01/79/385250179.db2.gz OQFYCFRHKMWQBR-LBPRGKRZSA-N 1 3 232.371 1.989 20 0 BDADHO COC[C@@H](C)CN(C1CC1)C1CC[NH2+]CC1 ZINC000647482555 385205380 /nfs/dbraw/zinc/20/53/80/385205380.db2.gz PCXBGTYFUSXCHP-NSHDSACASA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]CCCN1CCC2(C1)CCOCC2 ZINC000308956959 385320249 /nfs/dbraw/zinc/32/02/49/385320249.db2.gz YYEKLMYGXZJSLN-UHFFFAOYSA-N 1 3 212.337 1.098 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000299892171 385271693 /nfs/dbraw/zinc/27/16/93/385271693.db2.gz PTIUQMLIXIWWRY-CYDGBPFRSA-N 1 3 224.348 1.116 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000299892171 385271695 /nfs/dbraw/zinc/27/16/95/385271695.db2.gz PTIUQMLIXIWWRY-CYDGBPFRSA-N 1 3 224.348 1.116 20 0 BDADHO COC[C@@H](NC[C@H](C)C[NH+](C)C)C1CC1 ZINC000308902989 385273425 /nfs/dbraw/zinc/27/34/25/385273425.db2.gz KQPVYRUOAKCURK-CMPLNLGQSA-N 1 3 214.353 1.199 20 0 BDADHO CO[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168276 385327426 /nfs/dbraw/zinc/32/74/26/385327426.db2.gz MCXUCKVLLWXSAE-SMDDNHRTSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168276 385327432 /nfs/dbraw/zinc/32/74/32/385327432.db2.gz MCXUCKVLLWXSAE-SMDDNHRTSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)[C@@H]1C ZINC000309093031 385413671 /nfs/dbraw/zinc/41/36/71/385413671.db2.gz BWFGOBDUUKZOTJ-WZRBSPASSA-N 1 3 208.349 1.882 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)CN(C)C ZINC000336728392 385522643 /nfs/dbraw/zinc/52/26/43/385522643.db2.gz CMZRNBJJPMQRMH-RYUDHWBXSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H](O)CCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000309409201 385572917 /nfs/dbraw/zinc/57/29/17/385572917.db2.gz WJTIXTVFACKOHE-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](O)CCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000309409201 385572920 /nfs/dbraw/zinc/57/29/20/385572920.db2.gz WJTIXTVFACKOHE-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO Cn1c(CNCCCC[NH3+])nc2ccccc21 ZINC000107796367 385588353 /nfs/dbraw/zinc/58/83/53/385588353.db2.gz HYRQURUXMVISRH-UHFFFAOYSA-N 1 3 232.331 1.402 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CC1(C)C ZINC000309460932 385592308 /nfs/dbraw/zinc/59/23/08/385592308.db2.gz OUUZFJRBTFHNGH-VXGBXAGGSA-N 1 3 228.380 1.589 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000336678671 385617360 /nfs/dbraw/zinc/61/73/60/385617360.db2.gz BYQDXTXHYWMFDI-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)[C@@H]1C ZINC000309509192 385644349 /nfs/dbraw/zinc/64/43/49/385644349.db2.gz WTUGMAIZUCCEPY-UTUOFQBUSA-N 1 3 226.364 1.077 20 0 BDADHO c1ccc([C@@H]2C[C@H]2CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643366998 385654788 /nfs/dbraw/zinc/65/47/88/385654788.db2.gz SNWZRFUMKOMUEL-VGWMRTNUSA-N 1 3 242.366 1.941 20 0 BDADHO C[C@H](C[NH3+])N[C@@H](C)Cc1ccc(F)cc1 ZINC000235458783 259673483 /nfs/dbraw/zinc/67/34/83/259673483.db2.gz WDFMOIFNYMDSMO-VHSXEESVSA-N 1 3 210.296 1.694 20 0 BDADHO CC[C@@H](COC)NC[C@H](C)C[NH+](C)C ZINC000336699652 385757460 /nfs/dbraw/zinc/75/74/60/385757460.db2.gz WUAALTMPLMDUKC-QWRGUYRKSA-N 1 3 202.342 1.199 20 0 BDADHO Cc1nccn1CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000161856432 385781505 /nfs/dbraw/zinc/78/15/05/385781505.db2.gz TXLZBHXLTYGYMI-ZDUSSCGKSA-N 1 3 236.363 1.075 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000161856432 385781509 /nfs/dbraw/zinc/78/15/09/385781509.db2.gz TXLZBHXLTYGYMI-ZDUSSCGKSA-N 1 3 236.363 1.075 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000161856432 385781512 /nfs/dbraw/zinc/78/15/12/385781512.db2.gz TXLZBHXLTYGYMI-ZDUSSCGKSA-N 1 3 236.363 1.075 20 0 BDADHO CCn1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647799876 385799948 /nfs/dbraw/zinc/79/99/48/385799948.db2.gz RYYWORHIAUISTB-RWMBFGLXSA-N 1 3 248.374 1.381 20 0 BDADHO C[C@@H]([NH2+]C1CCNCC1)C1CCSCC1 ZINC000335570513 385805391 /nfs/dbraw/zinc/80/53/91/385805391.db2.gz VWBSYCNPORRPGD-SNVBAGLBSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)CC(F)F ZINC000647801587 385811717 /nfs/dbraw/zinc/81/17/17/385811717.db2.gz YRNQFLREZYXPHN-VGMNWLOBSA-N 1 3 208.296 1.993 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414949897 385814814 /nfs/dbraw/zinc/81/48/14/385814814.db2.gz NYUMJTYXCPLBNK-HBNTYKKESA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414949897 385814817 /nfs/dbraw/zinc/81/48/17/385814817.db2.gz NYUMJTYXCPLBNK-HBNTYKKESA-N 1 3 200.326 1.142 20 0 BDADHO CN(C[C@H](O)C[NH3+])CC1CCC(C)(C)CC1 ZINC000336738093 385828256 /nfs/dbraw/zinc/82/82/56/385828256.db2.gz JZEKECZWBLVJHG-GFCCVEGCSA-N 1 3 228.380 1.454 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCN[C@H](C)C2)CCOCC1 ZINC000414954093 385834808 /nfs/dbraw/zinc/83/48/08/385834808.db2.gz SFDOTRAKNBOMHH-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414871108 385854315 /nfs/dbraw/zinc/85/43/15/385854315.db2.gz CXEVEJXCWVDWFD-ZANVPECISA-N 1 3 238.762 1.992 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000414871108 385854317 /nfs/dbraw/zinc/85/43/17/385854317.db2.gz CXEVEJXCWVDWFD-ZANVPECISA-N 1 3 238.762 1.992 20 0 BDADHO CC(C)n1ccc(C[C@H](C)NC[C@H](C)C[NH3+])n1 ZINC000414876550 385909652 /nfs/dbraw/zinc/90/96/52/385909652.db2.gz LNUPJGBKGLBTKW-NEPJUHHUSA-N 1 3 238.379 1.579 20 0 BDADHO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H](C)CN)n1 ZINC000414876550 385909654 /nfs/dbraw/zinc/90/96/54/385909654.db2.gz LNUPJGBKGLBTKW-NEPJUHHUSA-N 1 3 238.379 1.579 20 0 BDADHO COCC[C@H](C)[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122353848 385913389 /nfs/dbraw/zinc/91/33/89/385913389.db2.gz GCYQIDRSUDGKFT-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122353848 385913391 /nfs/dbraw/zinc/91/33/91/385913391.db2.gz GCYQIDRSUDGKFT-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1CCCN1 ZINC000335033083 385920629 /nfs/dbraw/zinc/92/06/29/385920629.db2.gz OMBRXTSFGUODGO-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO Cc1cnccc1CNCC1=CC[N@H+](C)CC1 ZINC000295564982 385923991 /nfs/dbraw/zinc/92/39/91/385923991.db2.gz ZLNJJHPZQBPVCO-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO Cc1cnccc1CNCC1=CC[N@@H+](C)CC1 ZINC000295564982 385923996 /nfs/dbraw/zinc/92/39/96/385923996.db2.gz ZLNJJHPZQBPVCO-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262580459 385861896 /nfs/dbraw/zinc/86/18/96/385861896.db2.gz LTBSECPMCLKKTL-VXGBXAGGSA-N 1 3 249.358 1.176 20 0 BDADHO [NH3+]C[C@H]1CCCN(CC[C@@H]2CCCCO2)C1 ZINC000647827192 385875192 /nfs/dbraw/zinc/87/51/92/385875192.db2.gz VRZCSGFFYLMHKL-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000647827192 385875197 /nfs/dbraw/zinc/87/51/97/385875197.db2.gz VRZCSGFFYLMHKL-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000647827192 385875200 /nfs/dbraw/zinc/87/52/00/385875200.db2.gz VRZCSGFFYLMHKL-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)CN)CC2 ZINC000414873676 385878294 /nfs/dbraw/zinc/87/82/94/385878294.db2.gz HSPSCQZOVMTXCT-FZMZJTMJSA-N 1 3 248.370 1.737 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCC1Cc2ccccc2C1 ZINC000335043065 385936150 /nfs/dbraw/zinc/93/61/50/385936150.db2.gz MKCYULUBJMFPLT-BLLLJJGKSA-N 1 3 244.382 1.989 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)CN)C2 ZINC000414878663 385939208 /nfs/dbraw/zinc/93/92/08/385939208.db2.gz OOVVYPCNUJSKCJ-AAEUAGOBSA-N 1 3 248.370 1.737 20 0 BDADHO CO[C@@H](CN1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000425399849 385949580 /nfs/dbraw/zinc/94/95/80/385949580.db2.gz FDGKFPTYVTURIR-YPMHNXCESA-N 1 3 226.364 1.295 20 0 BDADHO CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053679 385954621 /nfs/dbraw/zinc/95/46/21/385954621.db2.gz ZPOKPGKYOGWIPM-TZMCWYRMSA-N 1 3 232.327 1.852 20 0 BDADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCNC1 ZINC000414880167 385961307 /nfs/dbraw/zinc/96/13/07/385961307.db2.gz JRCJUDLIBVHHEI-HTQZYQBOSA-N 1 3 210.243 1.669 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC12CCCC2)C1CNC1 ZINC000335012237 385968751 /nfs/dbraw/zinc/96/87/51/385968751.db2.gz XHBUYVLCQBEANY-JQWIXIFHSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H](C[NH+]1CCC(N(C)C)CC1)C1CC1 ZINC000425408037 385970347 /nfs/dbraw/zinc/97/03/47/385970347.db2.gz QSKFSXPXRYMOAP-CYBMUJFWSA-N 1 3 226.364 1.437 20 0 BDADHO COCc1cccc(CN[C@@H](C)CC[NH3+])c1 ZINC000414882004 386009507 /nfs/dbraw/zinc/00/95/07/386009507.db2.gz LMVDYCQPMNUDQZ-NSHDSACASA-N 1 3 222.332 1.660 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169569 386015757 /nfs/dbraw/zinc/01/57/57/386015757.db2.gz BHCZEOUWFFXTTN-VXGBXAGGSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169569 386015761 /nfs/dbraw/zinc/01/57/61/386015761.db2.gz BHCZEOUWFFXTTN-VXGBXAGGSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)CN(C)C ZINC000309731391 386026082 /nfs/dbraw/zinc/02/60/82/386026082.db2.gz FGXMIQTZSVRTDE-NWDGAFQWSA-N 1 3 228.380 1.731 20 0 BDADHO CCn1nccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414980863 386057432 /nfs/dbraw/zinc/05/74/32/386057432.db2.gz WZJLZDAWNAOCKU-GFCCVEGCSA-N 1 3 236.363 1.525 20 0 BDADHO Cc1cnccc1C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000295973718 386116177 /nfs/dbraw/zinc/11/61/77/386116177.db2.gz IUAALAVSUWEYEC-OAHLLOKOSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1cnccc1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000295973718 386116181 /nfs/dbraw/zinc/11/61/81/386116181.db2.gz IUAALAVSUWEYEC-OAHLLOKOSA-N 1 3 245.370 1.918 20 0 BDADHO CO[C@@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404141 386076707 /nfs/dbraw/zinc/07/67/07/386076707.db2.gz OUJYRWYDGFKLSK-NWDGAFQWSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404141 386076710 /nfs/dbraw/zinc/07/67/10/386076710.db2.gz OUJYRWYDGFKLSK-NWDGAFQWSA-N 1 3 214.353 1.437 20 0 BDADHO Cc1cccc(CNC[C@@H](C)C[NH3+])c1C ZINC000414892560 386147533 /nfs/dbraw/zinc/14/75/33/386147533.db2.gz XJLQDQHCEHYHTO-JTQLQIEISA-N 1 3 206.333 1.988 20 0 BDADHO CCCCC[N@H+](CCO)C[C@@H](N)CC(C)C ZINC000414677767 386157270 /nfs/dbraw/zinc/15/72/70/386157270.db2.gz JOTQOHWPOVPLTM-ZDUSSCGKSA-N 1 3 230.396 1.844 20 0 BDADHO CCCCC[N@@H+](CCO)C[C@@H](N)CC(C)C ZINC000414677767 386157273 /nfs/dbraw/zinc/15/72/73/386157273.db2.gz JOTQOHWPOVPLTM-ZDUSSCGKSA-N 1 3 230.396 1.844 20 0 BDADHO N[C@H](C[NH2+]Cc1cccc2c[nH]nc21)C1CC1 ZINC000414895909 386190232 /nfs/dbraw/zinc/19/02/32/386190232.db2.gz NUCAVQLODBBCMS-GFCCVEGCSA-N 1 3 230.315 1.390 20 0 BDADHO N[C@@H](C[NH2+]Cc1cccc2c[nH]nc21)C1CC1 ZINC000414895910 386190498 /nfs/dbraw/zinc/19/04/98/386190498.db2.gz NUCAVQLODBBCMS-LBPRGKRZSA-N 1 3 230.315 1.390 20 0 BDADHO Cc1cccc(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000414896590 386205069 /nfs/dbraw/zinc/20/50/69/386205069.db2.gz PNUVKGJBBICYCZ-ZDUSSCGKSA-N 1 3 204.317 1.822 20 0 BDADHO CC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000339011885 386209672 /nfs/dbraw/zinc/20/96/72/386209672.db2.gz WGFRVINCPZRPLK-AVGNSLFASA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000339011885 386209678 /nfs/dbraw/zinc/20/96/78/386209678.db2.gz WGFRVINCPZRPLK-AVGNSLFASA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000414712058 386228359 /nfs/dbraw/zinc/22/83/59/386228359.db2.gz SGDHCMDKGNSDGM-AVGNSLFASA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000414712058 386228362 /nfs/dbraw/zinc/22/83/62/386228362.db2.gz SGDHCMDKGNSDGM-AVGNSLFASA-N 1 3 228.380 1.453 20 0 BDADHO C[C@H](CN)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000347102695 386248978 /nfs/dbraw/zinc/24/89/78/386248978.db2.gz MWZJCGVSYBLTCK-GFCCVEGCSA-N 1 3 244.342 1.651 20 0 BDADHO C[C@H](CN)[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000347102695 386248982 /nfs/dbraw/zinc/24/89/82/386248982.db2.gz MWZJCGVSYBLTCK-GFCCVEGCSA-N 1 3 244.342 1.651 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)[C@H](C)C2)CCO1 ZINC000347099019 386250590 /nfs/dbraw/zinc/25/05/90/386250590.db2.gz JCFPQSJWEUOIDT-AAVRWANBSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)[C@H](C)C2)CCO1 ZINC000347099019 386250593 /nfs/dbraw/zinc/25/05/93/386250593.db2.gz JCFPQSJWEUOIDT-AAVRWANBSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])[C@H](C)C2)CCO1 ZINC000347099019 386250598 /nfs/dbraw/zinc/25/05/98/386250598.db2.gz JCFPQSJWEUOIDT-AAVRWANBSA-N 1 3 240.391 1.861 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336667774 386297655 /nfs/dbraw/zinc/29/76/55/386297655.db2.gz ORZRJTRQHXHYJH-CHWSQXEVSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336667774 386297658 /nfs/dbraw/zinc/29/76/58/386297658.db2.gz ORZRJTRQHXHYJH-CHWSQXEVSA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336667774 386297664 /nfs/dbraw/zinc/29/76/64/386297664.db2.gz ORZRJTRQHXHYJH-CHWSQXEVSA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336667774 386297668 /nfs/dbraw/zinc/29/76/68/386297668.db2.gz ORZRJTRQHXHYJH-CHWSQXEVSA-N 1 3 228.380 1.277 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415005174 386297879 /nfs/dbraw/zinc/29/78/79/386297879.db2.gz ISGCDIBWIVWTAS-QWRGUYRKSA-N 1 3 245.330 1.093 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414733957 386300460 /nfs/dbraw/zinc/30/04/60/386300460.db2.gz FJQZGHOELFOTIR-RDBSUJKOSA-N 1 3 241.423 1.774 20 0 BDADHO C[C@@H](O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336653358 386268812 /nfs/dbraw/zinc/26/88/12/386268812.db2.gz YESKFSHIFRBIGX-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336653358 386268816 /nfs/dbraw/zinc/26/88/16/386268816.db2.gz YESKFSHIFRBIGX-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331928429 386273439 /nfs/dbraw/zinc/27/34/39/386273439.db2.gz HIHPMLLRVYVKAJ-NNYUYHANSA-N 1 3 214.353 1.395 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336682730 386340511 /nfs/dbraw/zinc/34/05/11/386340511.db2.gz YPOJKIBVHYNFLB-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336682730 386340517 /nfs/dbraw/zinc/34/05/17/386340517.db2.gz YPOJKIBVHYNFLB-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](C)CCCCO ZINC000414747074 386349970 /nfs/dbraw/zinc/34/99/70/386349970.db2.gz RQNNLLOVJUNXHZ-LLVKDONJSA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](C)CCCCO ZINC000414747074 386349973 /nfs/dbraw/zinc/34/99/73/386349973.db2.gz RQNNLLOVJUNXHZ-LLVKDONJSA-N 1 3 202.342 1.064 20 0 BDADHO C1CC[C@@H](N[C@@H]2CCCOCC2)C[NH2+]C1 ZINC000335272159 386360978 /nfs/dbraw/zinc/36/09/78/386360978.db2.gz YNOVLQIYVBCUSG-VXGBXAGGSA-N 1 3 212.337 1.287 20 0 BDADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(CC)CC ZINC000347362620 386364938 /nfs/dbraw/zinc/36/49/38/386364938.db2.gz CJMUAVZVOHSXMF-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO [NH3+]CCCN1CCC([C@H]2CCCO2)CC1 ZINC000414741958 386327618 /nfs/dbraw/zinc/32/76/18/386327618.db2.gz MTALWMORFSUFQH-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2CC[NH2+]C2)C[C@@H]1C ZINC000647989120 386336884 /nfs/dbraw/zinc/33/68/84/386336884.db2.gz LCKBIKAKBAVQCX-RWMBFGLXSA-N 1 3 225.380 1.010 20 0 BDADHO CC[C@H]1C[C@@H](CN(C)C2CC([NH3+])C2)CCO1 ZINC000414768079 386442791 /nfs/dbraw/zinc/44/27/91/386442791.db2.gz HEWVPTLLSVDGHJ-WTIISPKJSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336715665 386443898 /nfs/dbraw/zinc/44/38/98/386443898.db2.gz SSJYVZJSKLBXBR-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000336715665 386443905 /nfs/dbraw/zinc/44/39/05/386443905.db2.gz SSJYVZJSKLBXBR-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000336715665 386443912 /nfs/dbraw/zinc/44/39/12/386443912.db2.gz SSJYVZJSKLBXBR-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO COCC[N@H+](CC[C@H]1CCCN1C)C1CC1 ZINC000336705521 386396606 /nfs/dbraw/zinc/39/66/06/386396606.db2.gz QTCUETDXZXBPMC-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO COCC[N@@H+](CC[C@H]1CCCN1C)C1CC1 ZINC000336705521 386396612 /nfs/dbraw/zinc/39/66/12/386396612.db2.gz QTCUETDXZXBPMC-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@@H](CN)C[C@@H]2C)cn1 ZINC000339407082 386411023 /nfs/dbraw/zinc/41/10/23/386411023.db2.gz KWWDFFBUYCNOTN-DZGCQCFKSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CN)C[C@@H]2C)cn1 ZINC000339407082 386411030 /nfs/dbraw/zinc/41/10/30/386411030.db2.gz KWWDFFBUYCNOTN-DZGCQCFKSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCCN2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000339407082 386411034 /nfs/dbraw/zinc/41/10/34/386411034.db2.gz KWWDFFBUYCNOTN-DZGCQCFKSA-N 1 3 247.386 1.992 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000336707715 386413782 /nfs/dbraw/zinc/41/37/82/386413782.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC2(O)CCCC2)C1 ZINC000336707715 386413789 /nfs/dbraw/zinc/41/37/89/386413789.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC2(O)CCCC2)C1 ZINC000336707715 386413794 /nfs/dbraw/zinc/41/37/94/386413794.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC2(O)CCCC2)C1 ZINC000336707715 386413800 /nfs/dbraw/zinc/41/38/00/386413800.db2.gz HMYHKABDRGEOAI-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)(C)[NH2+]CCN1CCNC[C@](C)(F)C1 ZINC000414775710 386476325 /nfs/dbraw/zinc/47/63/25/386476325.db2.gz MNVADFQXHZCMIO-LBPRGKRZSA-N 1 3 231.359 1.008 20 0 BDADHO CCc1nc(CN[C@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000415044472 386529401 /nfs/dbraw/zinc/52/94/01/386529401.db2.gz SRPABBULEBVJLW-ZJUUUORDSA-N 1 3 239.388 1.923 20 0 BDADHO CC(C)(C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415042518 386529440 /nfs/dbraw/zinc/52/94/40/386529440.db2.gz QPWNUKHBOUPOBG-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO C[C@H](C[NH2+]C1CCNCC1)CC1CCOCC1 ZINC000414780432 386494649 /nfs/dbraw/zinc/49/46/49/386494649.db2.gz BBADUMMJVZOVDR-LBPRGKRZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@]1(C)CCCO1 ZINC000340366521 386505380 /nfs/dbraw/zinc/50/53/80/386505380.db2.gz PJPPKTBEBSSSSA-OLZOCXBDSA-N 1 3 244.379 1.112 20 0 BDADHO C1CC1[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415049114 386507006 /nfs/dbraw/zinc/50/70/06/386507006.db2.gz AOLSAFFQULOVMP-KIJLLGNVSA-N 1 3 206.333 1.373 20 0 BDADHO CC[C@@H]1C[C@@H](CN2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052065 386508606 /nfs/dbraw/zinc/50/86/06/386508606.db2.gz GYOHNRHRPFXNSI-RVMXOQNASA-N 1 3 226.364 1.613 20 0 BDADHO CC[C@H]1C[C@@H](CN2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000415052063 386509106 /nfs/dbraw/zinc/50/91/06/386509106.db2.gz GYOHNRHRPFXNSI-CYDGBPFRSA-N 1 3 226.364 1.613 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1cn2ccccc2n1 ZINC000415020202 386509676 /nfs/dbraw/zinc/50/96/76/386509676.db2.gz JJIKCAMEACWSKX-NSHDSACASA-N 1 3 232.331 1.551 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]CC[C@H]1CCCN1C ZINC000340371804 386514111 /nfs/dbraw/zinc/51/41/11/386514111.db2.gz QDYOJEIWTKMTRF-CHWSQXEVSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@H](Cn1cccn1)NCC[C@H]1CCC[N@@H+]1C ZINC000340371804 386514122 /nfs/dbraw/zinc/51/41/22/386514122.db2.gz QDYOJEIWTKMTRF-CHWSQXEVSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@H](Cn1cccn1)NCC[C@H]1CCC[N@H+]1C ZINC000340371804 386514127 /nfs/dbraw/zinc/51/41/27/386514127.db2.gz QDYOJEIWTKMTRF-CHWSQXEVSA-N 1 3 236.363 1.346 20 0 BDADHO CN1CCC[C@@H](C[N@H+](C)Cc2ccnc(N)c2)C1 ZINC000278344097 386515087 /nfs/dbraw/zinc/51/50/87/386515087.db2.gz GAIONLUXZUDXSM-CYBMUJFWSA-N 1 3 248.374 1.437 20 0 BDADHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccnc(N)c2)C1 ZINC000278344097 386515092 /nfs/dbraw/zinc/51/50/92/386515092.db2.gz GAIONLUXZUDXSM-CYBMUJFWSA-N 1 3 248.374 1.437 20 0 BDADHO NC[C@H]1C[N@H+](CC2CC2)CC12CCOCC2 ZINC000335448744 386516393 /nfs/dbraw/zinc/51/63/93/386516393.db2.gz QZRJAIDVSQMRKP-LBPRGKRZSA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@H]1C[N@@H+](CC2CC2)CC12CCOCC2 ZINC000335448744 386516396 /nfs/dbraw/zinc/51/63/96/386516396.db2.gz QZRJAIDVSQMRKP-LBPRGKRZSA-N 1 3 224.348 1.084 20 0 BDADHO CCC[C@H](C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415033296 386521083 /nfs/dbraw/zinc/52/10/83/386521083.db2.gz GWHGVGYBUAHUDQ-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H]1C[C@H](CN(C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770220 386456023 /nfs/dbraw/zinc/45/60/23/386456023.db2.gz XVGDKWXUCNRTSF-NWDGAFQWSA-N 1 3 236.363 1.240 20 0 BDADHO CCN1CCCC[C@@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415074293 386575174 /nfs/dbraw/zinc/57/51/74/386575174.db2.gz CGCOERKZDCZCHT-KGLIPLIRSA-N 1 3 239.407 1.450 20 0 BDADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415080938 386591015 /nfs/dbraw/zinc/59/10/15/386591015.db2.gz MLZIIOJBDGXAON-AGIUHOORSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)[C@@H]1CCCO1 ZINC000415080938 386591022 /nfs/dbraw/zinc/59/10/22/386591022.db2.gz MLZIIOJBDGXAON-AGIUHOORSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1CCCO1 ZINC000415084453 386596173 /nfs/dbraw/zinc/59/61/73/386596173.db2.gz RHWVHLPPMKYCTR-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415084453 386596180 /nfs/dbraw/zinc/59/61/80/386596180.db2.gz RHWVHLPPMKYCTR-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CCCC[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000442713477 386531535 /nfs/dbraw/zinc/53/15/35/386531535.db2.gz IFGODFYIUHMOQV-NSHDSACASA-N 1 3 241.379 1.282 20 0 BDADHO C[C@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H](C)C1 ZINC000415046952 386534109 /nfs/dbraw/zinc/53/41/09/386534109.db2.gz YCJBRTPCEQSUQS-JAJHZTCNSA-N 1 3 208.349 1.619 20 0 BDADHO Cn1nccc1C[NH2+][C@@H](CN)C1CCCC1 ZINC000415061714 386539976 /nfs/dbraw/zinc/53/99/76/386539976.db2.gz DDVQYEGMOVEDGO-LBPRGKRZSA-N 1 3 222.336 1.027 20 0 BDADHO C[C@@H](Cn1cccn1)N[C@H](C[NH3+])C1CCCC1 ZINC000415064564 386545185 /nfs/dbraw/zinc/54/51/85/386545185.db2.gz KZRIDLSGNUSPAC-WCQYABFASA-N 1 3 236.363 1.379 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@@H](CN)C1CCCC1 ZINC000415065868 386549410 /nfs/dbraw/zinc/54/94/10/386549410.db2.gz NTNLLVSINSDQEE-OLZOCXBDSA-N 1 3 227.396 1.467 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1CCCO1 ZINC000415084451 386597190 /nfs/dbraw/zinc/59/71/90/386597190.db2.gz RHWVHLPPMKYCTR-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415084451 386597193 /nfs/dbraw/zinc/59/71/93/386597193.db2.gz RHWVHLPPMKYCTR-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@@H]1CC[NH2+]C1 ZINC000415067844 386551642 /nfs/dbraw/zinc/55/16/42/386551642.db2.gz QBQIXZHONYMHQL-TZMCWYRMSA-N 1 3 233.359 1.200 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762406 386552142 /nfs/dbraw/zinc/55/21/42/386552142.db2.gz AXPHYGUBFQLJIA-YECOWLKZSA-N 1 3 212.337 1.007 20 0 BDADHO CCc1ccccc1[C@@H](N)CN[C@@H]1CC[NH2+]C1 ZINC000415067843 386552307 /nfs/dbraw/zinc/55/23/07/386552307.db2.gz QBQIXZHONYMHQL-OCCSQVGLSA-N 1 3 233.359 1.200 20 0 BDADHO NC[C@@H]1c2ccccc2CCN1C[C@H]1CC[NH2+]C1 ZINC000647995785 386559155 /nfs/dbraw/zinc/55/91/55/386559155.db2.gz GFSFBTOVBKURQZ-SWLSCSKDSA-N 1 3 245.370 1.154 20 0 BDADHO C[C@@H](CCN(C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072569 386562162 /nfs/dbraw/zinc/56/21/62/386562162.db2.gz WUSWUYDDFLREDZ-JSGCOSHPSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@@H](CC[N@H+](C)C[C@@H](O)CN)c1ccccc1 ZINC000415072569 386562166 /nfs/dbraw/zinc/56/21/66/386562166.db2.gz WUSWUYDDFLREDZ-JSGCOSHPSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@@H](CC[N@@H+](C)C[C@@H](O)CN)c1ccccc1 ZINC000415072569 386562170 /nfs/dbraw/zinc/56/21/70/386562170.db2.gz WUSWUYDDFLREDZ-JSGCOSHPSA-N 1 3 236.359 1.432 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000300900126 386630519 /nfs/dbraw/zinc/63/05/19/386630519.db2.gz VZKYISKZYHTMRK-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO Nc1ncc(CN[C@@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414810665 386631422 /nfs/dbraw/zinc/63/14/22/386631422.db2.gz VNBLQAXBNVSJET-WCBMZHEXSA-N 1 3 240.376 1.163 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1CCCSC1 ZINC000414803335 386599359 /nfs/dbraw/zinc/59/93/59/386599359.db2.gz WNDSTHSTOHGRJF-NXEZZACHSA-N 1 3 202.367 1.455 20 0 BDADHO COc1cc(CCNCC(C)(C)[NH3+])ccc1C ZINC000415090941 386611381 /nfs/dbraw/zinc/61/13/81/386611381.db2.gz ZWKFENGESBTWEO-UHFFFAOYSA-N 1 3 236.359 1.873 20 0 BDADHO C[NH2+]CCN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414820664 386663662 /nfs/dbraw/zinc/66/36/62/386663662.db2.gz CNMJEXLKZCGXDO-DZGCQCFKSA-N 1 3 247.386 1.631 20 0 BDADHO COCC1(CC[NH2+][C@H](C)C2CNC2)CC1 ZINC000520408391 386667247 /nfs/dbraw/zinc/66/72/47/386667247.db2.gz JYNLDSBLIWFNDJ-SNVBAGLBSA-N 1 3 212.337 1.001 20 0 BDADHO C1C[C@]2(CO1)CCC[N@@H+]([C@H]1CCCNCC1)C2 ZINC000335525691 386669337 /nfs/dbraw/zinc/66/93/37/386669337.db2.gz PSBLZUOIWQIBSG-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO C1C[C@]2(CO1)CCC[N@H+]([C@H]1CCCNCC1)C2 ZINC000335525691 386669341 /nfs/dbraw/zinc/66/93/41/386669341.db2.gz PSBLZUOIWQIBSG-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCNC2)CCO1 ZINC000414831098 386710699 /nfs/dbraw/zinc/71/06/99/386710699.db2.gz PMYCZCLQALARBV-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@@H](C)[N@H+](C)CCCN1CCCC1 ZINC000337268900 386685749 /nfs/dbraw/zinc/68/57/49/386685749.db2.gz LCWCJUVSSYPXSF-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO COC[C@@H](C)[N@@H+](C)CCCN1CCCC1 ZINC000337268900 386685755 /nfs/dbraw/zinc/68/57/55/386685755.db2.gz LCWCJUVSSYPXSF-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO Cc1ccc([C@H](C)N(C)CCOCC[NH3+])cc1 ZINC000357034105 386695227 /nfs/dbraw/zinc/69/52/27/386695227.db2.gz VJGPTIZRCMBWOW-ZDUSSCGKSA-N 1 3 236.359 1.963 20 0 BDADHO NC[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000302238940 386702834 /nfs/dbraw/zinc/70/28/34/386702834.db2.gz CDZRHEQTEXXIKU-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO NC[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000302238940 386702840 /nfs/dbraw/zinc/70/28/40/386702840.db2.gz CDZRHEQTEXXIKU-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO C[C@H](N[C@H]1CCCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000335480956 386706560 /nfs/dbraw/zinc/70/65/60/386706560.db2.gz OMWXPQCEMDPECQ-BONVTDFDSA-N 1 3 245.370 1.844 20 0 BDADHO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)C1CNC1 ZINC000335480956 386706564 /nfs/dbraw/zinc/70/65/64/386706564.db2.gz OMWXPQCEMDPECQ-BONVTDFDSA-N 1 3 245.370 1.844 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2)CCO1 ZINC000414837127 386735422 /nfs/dbraw/zinc/73/54/22/386735422.db2.gz VPBDKWHBEDBUSO-MCIONIFRSA-N 1 3 240.391 1.779 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H](COC)CC(C)C ZINC000414832195 386716209 /nfs/dbraw/zinc/71/62/09/386716209.db2.gz FBGKZDQGGLUPEO-VXGBXAGGSA-N 1 3 216.369 1.493 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623088023 386724538 /nfs/dbraw/zinc/72/45/38/386724538.db2.gz SRWVRRTYSCMECQ-KGLIPLIRSA-N 1 3 241.423 1.648 20 0 BDADHO CNC[C@@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000414835689 386728094 /nfs/dbraw/zinc/72/80/94/386728094.db2.gz HMNQCGQZAZGBBP-ZJUUUORDSA-N 1 3 202.367 1.185 20 0 BDADHO COC1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000414841207 386751809 /nfs/dbraw/zinc/75/18/09/386751809.db2.gz HLFMYQCHRMZILL-MOENNCHZSA-N 1 3 212.337 1.286 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H](C)C1 ZINC000425940117 386754036 /nfs/dbraw/zinc/75/40/36/386754036.db2.gz VXJPTDPYBVOKSK-IHRRRGAJSA-N 1 3 241.423 1.504 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H](C)C1 ZINC000425940119 386754637 /nfs/dbraw/zinc/75/46/37/386754637.db2.gz VXJPTDPYBVOKSK-MJBXVCDLSA-N 1 3 241.423 1.504 20 0 BDADHO COC[C@@]1(CN[C@H]2CCC(C)(C)C2)CCC[NH2+]1 ZINC000414936667 386840212 /nfs/dbraw/zinc/84/02/12/386840212.db2.gz CEMXRTZASFSVQL-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000334787867 386849044 /nfs/dbraw/zinc/84/90/44/386849044.db2.gz YPSNOVMPDQIKDL-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000334787867 386849047 /nfs/dbraw/zinc/84/90/47/386849047.db2.gz YPSNOVMPDQIKDL-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO O[C@@H]1CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000425356361 386918494 /nfs/dbraw/zinc/91/84/94/386918494.db2.gz NHCQOHAUULBAAN-ZIAGYGMSSA-N 1 3 247.342 1.163 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCCSC2)CCCNC1 ZINC000334871901 386932433 /nfs/dbraw/zinc/93/24/33/386932433.db2.gz CBWGPVALGCSEMD-NEPJUHHUSA-N 1 3 228.405 1.861 20 0 BDADHO C[C@]1(CN[C@@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871901 386932437 /nfs/dbraw/zinc/93/24/37/386932437.db2.gz CBWGPVALGCSEMD-NEPJUHHUSA-N 1 3 228.405 1.861 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000332414248 386975790 /nfs/dbraw/zinc/97/57/90/386975790.db2.gz AWSNZCAAXSNEME-NWDGAFQWSA-N 1 3 226.364 1.256 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313073603 386996977 /nfs/dbraw/zinc/99/69/77/386996977.db2.gz HKDKHEURGZIEPS-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H](CO)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332046947 386948278 /nfs/dbraw/zinc/94/82/78/386948278.db2.gz VGJBCXHOFFGEHJ-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO Cc1cn[nH]c1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000334820650 386950722 /nfs/dbraw/zinc/95/07/22/386950722.db2.gz MECNUFBBIDXEOP-GXSJLCMTSA-N 1 3 222.336 1.135 20 0 BDADHO CC(C)(CN[C@@H]1CCCCC[C@H]1[NH3+])C(N)=O ZINC000332058566 386951409 /nfs/dbraw/zinc/95/14/09/386951409.db2.gz XYWBJVYADPOVPA-NXEZZACHSA-N 1 3 227.352 1.797 20 0 BDADHO C[C@H](O)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000228037017 387061597 /nfs/dbraw/zinc/06/15/97/387061597.db2.gz DHJZECHXPNMWAW-YNEHKIRRSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](O)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000228037017 387061599 /nfs/dbraw/zinc/06/15/99/387061599.db2.gz DHJZECHXPNMWAW-YNEHKIRRSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000333241591 387022439 /nfs/dbraw/zinc/02/24/39/387022439.db2.gz DYVPCAXTRPDTFZ-WRWGMCAJSA-N 1 3 239.363 1.811 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCCN1 ZINC000333344066 387028624 /nfs/dbraw/zinc/02/86/24/387028624.db2.gz YTPWISBWASLALW-CYZMBNFOSA-N 1 3 248.374 1.387 20 0 BDADHO CC1(F)CC(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000335007479 387103461 /nfs/dbraw/zinc/10/34/61/387103461.db2.gz OLGADEFZJXKOGZ-MXSCYXCISA-N 1 3 212.312 1.750 20 0 BDADHO CC1(F)CC([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000335008423 387103658 /nfs/dbraw/zinc/10/36/58/387103658.db2.gz UAQCUKHYEYHPDR-QPBDYMMBSA-N 1 3 200.301 1.594 20 0 BDADHO CC1(F)CC(N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000335008423 387103660 /nfs/dbraw/zinc/10/36/60/387103660.db2.gz UAQCUKHYEYHPDR-QPBDYMMBSA-N 1 3 200.301 1.594 20 0 BDADHO CN(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000020523924 387107957 /nfs/dbraw/zinc/10/79/57/387107957.db2.gz NDXVBZKVEVGYFH-YHWZYXNKSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(O)CCC1 ZINC000127394212 387115870 /nfs/dbraw/zinc/11/58/70/387115870.db2.gz CBWFVSGOMJLLHQ-STQMWFEESA-N 1 3 240.391 1.802 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(O)CCC1 ZINC000127394706 387116847 /nfs/dbraw/zinc/11/68/47/387116847.db2.gz CBWFVSGOMJLLHQ-QWHCGFSZSA-N 1 3 240.391 1.802 20 0 BDADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000250680896 387120755 /nfs/dbraw/zinc/12/07/55/387120755.db2.gz YIWPBXNRFNDZNT-IGQOVBAYSA-N 1 3 238.375 1.676 20 0 BDADHO CN(C[C@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250402422 387124734 /nfs/dbraw/zinc/12/47/34/387124734.db2.gz MKZGFYPQAFLVNI-HABKJSAYSA-N 1 3 238.375 1.628 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCC(C)(C)O)C1 ZINC000359587988 387129540 /nfs/dbraw/zinc/12/95/40/387129540.db2.gz WUQDZGHLYIKYDW-LLVKDONJSA-N 1 3 214.353 1.031 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000423306161 387142110 /nfs/dbraw/zinc/14/21/10/387142110.db2.gz SFURGYDZYVDAGX-NWDGAFQWSA-N 1 3 226.364 1.388 20 0 BDADHO CC(C)O[C@@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C ZINC000423306161 387142113 /nfs/dbraw/zinc/14/21/13/387142113.db2.gz SFURGYDZYVDAGX-NWDGAFQWSA-N 1 3 226.364 1.388 20 0 BDADHO c1ccc(C[C@@H]([NH2+]CC2CNC2)C2CC2)cc1 ZINC000423308367 387144548 /nfs/dbraw/zinc/14/45/48/387144548.db2.gz XPUICCNBLXQUSR-OAHLLOKOSA-N 1 3 230.355 1.817 20 0 BDADHO c1ccc(C[C@@H](NCC2C[NH2+]C2)C2CC2)cc1 ZINC000423308367 387144551 /nfs/dbraw/zinc/14/45/51/387144551.db2.gz XPUICCNBLXQUSR-OAHLLOKOSA-N 1 3 230.355 1.817 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)C12CCC2 ZINC000423309218 387145369 /nfs/dbraw/zinc/14/53/69/387145369.db2.gz PWGYTUMMMXUOCA-GRYCIOLGSA-N 1 3 226.364 1.519 20 0 BDADHO COCC1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC000423314353 387153952 /nfs/dbraw/zinc/15/39/52/387153952.db2.gz YHGYVGGCQFXFBS-UNXYVOJBSA-N 1 3 214.353 1.376 20 0 BDADHO CCCCO[C@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423315619 387157188 /nfs/dbraw/zinc/15/71/88/387157188.db2.gz ABGWSNOSCURIOE-UTUOFQBUSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)CO[C@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423320426 387161590 /nfs/dbraw/zinc/16/15/90/387161590.db2.gz GKGVJPKEKJRYKH-UTUOFQBUSA-N 1 3 228.380 1.763 20 0 BDADHO COc1ccc(C[C@@H](C)NCC2([NH3+])CCC2)cn1 ZINC000423321595 387164357 /nfs/dbraw/zinc/16/43/57/387164357.db2.gz GMXGAAZYMDFPML-LLVKDONJSA-N 1 3 249.358 1.492 20 0 BDADHO CC[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000229395193 387168625 /nfs/dbraw/zinc/16/86/25/387168625.db2.gz WSQIXEOSQQLNLT-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000229395193 387168629 /nfs/dbraw/zinc/16/86/29/387168629.db2.gz WSQIXEOSQQLNLT-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO c1cncc([C@@H]2CCC[C@@H]([NH2+]CC3CNC3)C2)c1 ZINC000423329522 387172532 /nfs/dbraw/zinc/17/25/32/387172532.db2.gz SXHGYTQJYIAEID-UKRRQHHQSA-N 1 3 245.370 1.917 20 0 BDADHO c1cncc([C@@H]2CCC[C@@H](NCC3C[NH2+]C3)C2)c1 ZINC000423329522 387172539 /nfs/dbraw/zinc/17/25/39/387172539.db2.gz SXHGYTQJYIAEID-UKRRQHHQSA-N 1 3 245.370 1.917 20 0 BDADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1ccn(C)n1 ZINC000423337227 387186682 /nfs/dbraw/zinc/18/66/82/387186682.db2.gz UASFAICDIYKHEI-LLVKDONJSA-N 1 3 236.363 1.460 20 0 BDADHO COC[C@H]([NH2+]C[C@H](C)CN)C1CCCC1 ZINC000423301399 387133347 /nfs/dbraw/zinc/13/33/47/387133347.db2.gz FZHWYVDRBGPMNB-PWSUYJOCSA-N 1 3 214.353 1.376 20 0 BDADHO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN)cn1 ZINC000423302052 387134345 /nfs/dbraw/zinc/13/43/45/387134345.db2.gz GSPJTYGLZCFASY-QWRGUYRKSA-N 1 3 237.347 1.206 20 0 BDADHO COc1ccc(C[C@H](C)NC[C@@H](C)C[NH3+])cn1 ZINC000423302052 387134348 /nfs/dbraw/zinc/13/43/48/387134348.db2.gz GSPJTYGLZCFASY-QWRGUYRKSA-N 1 3 237.347 1.206 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN ZINC000423302127 387134370 /nfs/dbraw/zinc/13/43/70/387134370.db2.gz HCOGTPVHTBEBML-WOPDTQHZSA-N 1 3 214.353 1.376 20 0 BDADHO CCN1C[C@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356314 387208212 /nfs/dbraw/zinc/20/82/12/387208212.db2.gz GMTFSATUTVKATG-YNEHKIRRSA-N 1 3 225.380 1.058 20 0 BDADHO CO[C@H](C)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336379558 387209079 /nfs/dbraw/zinc/20/90/79/387209079.db2.gz ULASZLQHLOSEJB-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@H](C)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336379558 387209081 /nfs/dbraw/zinc/20/90/81/387209081.db2.gz ULASZLQHLOSEJB-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@H](NCC[C@H]1CCC[NH2+]1)C(C)C ZINC000423366260 387218215 /nfs/dbraw/zinc/21/82/15/387218215.db2.gz QBXNNNMPSMITFE-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365927 387219236 /nfs/dbraw/zinc/21/92/36/387219236.db2.gz CFFKMOJDJLFMHK-BYNQJWBRSA-N 1 3 237.391 1.199 20 0 BDADHO COC[C@H](NCC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423368494 387220959 /nfs/dbraw/zinc/22/09/59/387220959.db2.gz RYRNJFOHLDFXDM-KGLIPLIRSA-N 1 3 240.391 1.923 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C12CCCC2 ZINC000423368585 387221741 /nfs/dbraw/zinc/22/17/41/387221741.db2.gz NJLTZGNLRMHOSQ-SDDRHHMPSA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1(C)C ZINC000423370965 387224274 /nfs/dbraw/zinc/22/42/74/387224274.db2.gz GEDGWHPSLMONSC-QNWJLWSRSA-N 1 3 240.391 1.905 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423373024 387227341 /nfs/dbraw/zinc/22/73/41/387227341.db2.gz GTJUDIQJZVEHCS-XUXIUFHCSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1(C)C ZINC000423404703 387241832 /nfs/dbraw/zinc/24/18/32/387241832.db2.gz ZDVIENGSRPJOJZ-MROQNXINSA-N 1 3 240.391 1.920 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1(C)C ZINC000423404703 387241835 /nfs/dbraw/zinc/24/18/35/387241835.db2.gz ZDVIENGSRPJOJZ-MROQNXINSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423405834 387243780 /nfs/dbraw/zinc/24/37/80/387243780.db2.gz UBKXGZYHJRTWRO-NQBHXWOUSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423405834 387243785 /nfs/dbraw/zinc/24/37/85/387243785.db2.gz UBKXGZYHJRTWRO-NQBHXWOUSA-N 1 3 222.332 1.798 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CNC[C@H]1O)C1CCCCC1 ZINC000423412101 387246026 /nfs/dbraw/zinc/24/60/26/387246026.db2.gz WCVHXMVNVNZEME-MELADBBJSA-N 1 3 240.391 1.515 20 0 BDADHO COC[C@H]([NH2+]C[C@@]1(COC)CCCN1)C(C)C ZINC000423410926 387246113 /nfs/dbraw/zinc/24/61/13/387246113.db2.gz ASANTDRGZBENFR-QWHCGFSZSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000423410321 387247114 /nfs/dbraw/zinc/24/71/14/387247114.db2.gz ZZEFKECNULSFNL-IKOXMDCHSA-N 1 3 239.407 1.303 20 0 BDADHO CCNCCC[NH2+][C@@H](C)CCCOC ZINC000572234312 387283111 /nfs/dbraw/zinc/28/31/11/387283111.db2.gz REWJUYJOBBSJJB-NSHDSACASA-N 1 3 202.342 1.391 20 0 BDADHO C1CC([C@@H]2CC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423441410 387290722 /nfs/dbraw/zinc/29/07/22/387290722.db2.gz YNDCKTUWZDAIST-IEECTRCBSA-N 1 3 206.333 1.373 20 0 BDADHO C[C@H]1CC(C)(C)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459170 387305952 /nfs/dbraw/zinc/30/59/52/387305952.db2.gz RHVKVTRJNFZEKG-PREPNJAASA-N 1 3 208.349 1.619 20 0 BDADHO CCN1C[C@@H](C)[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000423523334 387355121 /nfs/dbraw/zinc/35/51/21/387355121.db2.gz IFZIYQWFGMNSIW-YPMHNXCESA-N 1 3 225.380 1.058 20 0 BDADHO COc1ccc(C[C@H](C)N[C@@H](C)[C@H](C)[NH3+])cn1 ZINC000423481126 387363374 /nfs/dbraw/zinc/36/33/74/387363374.db2.gz WQVYIZFFXFRLFU-DCAQKATOSA-N 1 3 237.347 1.347 20 0 BDADHO CC[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423541184 387366309 /nfs/dbraw/zinc/36/63/09/387366309.db2.gz FIRTWWLCBPEPRT-LPWJVIDDSA-N 1 3 226.364 1.532 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000360928517 387368050 /nfs/dbraw/zinc/36/80/50/387368050.db2.gz BMGOUZFZERTTDL-UONOGXRCSA-N 1 3 241.423 1.789 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)[C@@H](C)C1)C(C)C ZINC000360928516 387368114 /nfs/dbraw/zinc/36/81/14/387368114.db2.gz BMGOUZFZERTTDL-KBPBESRZSA-N 1 3 241.423 1.789 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2)C1(C)C ZINC000423544429 387368310 /nfs/dbraw/zinc/36/83/10/387368310.db2.gz DANCANUIFGNDDE-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO CCN1C[C@H](N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000423542906 387368418 /nfs/dbraw/zinc/36/84/18/387368418.db2.gz BKUZAMIDBJSDFE-AVGNSLFASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423545901 387371457 /nfs/dbraw/zinc/37/14/57/387371457.db2.gz FBDJXRCPCQDNRX-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CC12CCSCC2)C1CNC1 ZINC000423554003 387373905 /nfs/dbraw/zinc/37/39/05/387373905.db2.gz RFFWEWZPDIETAS-CMPLNLGQSA-N 1 3 240.416 1.717 20 0 BDADHO CC[C@@H](N[C@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475395 387322052 /nfs/dbraw/zinc/32/20/52/387322052.db2.gz HWJPTOUECIOJGG-VWYCJHECSA-N 1 3 247.333 1.104 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423491612 387336427 /nfs/dbraw/zinc/33/64/27/387336427.db2.gz JYIICMFRDCINSB-DGCLKSJQSA-N 1 3 238.331 1.179 20 0 BDADHO COCCC[C@@H](C)NC[C@@H]1CCCC[NH2+]1 ZINC000643501525 387353903 /nfs/dbraw/zinc/35/39/03/387353903.db2.gz JPBWDGMJHCRTMU-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC1CC1 ZINC000374423762 387452717 /nfs/dbraw/zinc/45/27/17/387452717.db2.gz XOHXCENTOHZEIR-MGPQQGTHSA-N 1 3 238.375 1.580 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)c1ccccc1CN(C)C ZINC000423684308 387397458 /nfs/dbraw/zinc/39/74/58/387397458.db2.gz RFYBYXDUMCFLOC-GFCCVEGCSA-N 1 3 249.358 1.215 20 0 BDADHO CC[C@@H](C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304631511 387497621 /nfs/dbraw/zinc/49/76/21/387497621.db2.gz VNLNKVRYLZYWCN-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@@H](C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304631511 387497623 /nfs/dbraw/zinc/49/76/23/387497623.db2.gz VNLNKVRYLZYWCN-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000643475330 387509554 /nfs/dbraw/zinc/50/95/54/387509554.db2.gz GYDFGGUQEKTDFE-NWDGAFQWSA-N 1 3 212.337 1.286 20 0 BDADHO C[NH+]1CCC(CCNCc2ccccn2)CC1 ZINC000105454783 387524461 /nfs/dbraw/zinc/52/44/61/387524461.db2.gz VOZRQUZHFFHWFP-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO C([NH2+][C@H]1CCCNCC1)[C@@H]1CCCS1 ZINC000160692778 387525811 /nfs/dbraw/zinc/52/58/11/387525811.db2.gz DAJVAQUDHXIMGQ-QWRGUYRKSA-N 1 3 214.378 1.614 20 0 BDADHO C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCS1 ZINC000160692778 387525815 /nfs/dbraw/zinc/52/58/15/387525815.db2.gz DAJVAQUDHXIMGQ-QWRGUYRKSA-N 1 3 214.378 1.614 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000395838606 387478126 /nfs/dbraw/zinc/47/81/26/387478126.db2.gz MHIFUFDTMUXGID-VXGBXAGGSA-N 1 3 226.364 1.256 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@H]1CCC[NH2+]CC1 ZINC000643473923 387487787 /nfs/dbraw/zinc/48/77/87/387487787.db2.gz QUSSADBSLSUSRZ-YPMHNXCESA-N 1 3 222.332 1.942 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000643511172 387591848 /nfs/dbraw/zinc/59/18/48/387591848.db2.gz HAROMYNVAXVOHZ-GXSJLCMTSA-N 1 3 224.352 1.742 20 0 BDADHO CC[C@H](NCCN(C)CC)[C@@H]1CCCC[NH2+]1 ZINC000422717007 387628595 /nfs/dbraw/zinc/62/85/95/387628595.db2.gz NXEXZOUMPJPEIV-STQMWFEESA-N 1 3 227.396 1.448 20 0 BDADHO C[C@@H](CC(N)=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000122721837 387593261 /nfs/dbraw/zinc/59/32/61/387593261.db2.gz DBJYRWHUPMYSPO-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CC(N)=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000122721837 387593264 /nfs/dbraw/zinc/59/32/64/387593264.db2.gz DBJYRWHUPMYSPO-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CC(N)=O)[NH2+]CCCN1CCCC[C@H]1C ZINC000122721837 387593266 /nfs/dbraw/zinc/59/32/66/387593266.db2.gz DBJYRWHUPMYSPO-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)(CC[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000422536606 387595644 /nfs/dbraw/zinc/59/56/44/387595644.db2.gz FVBWYYAOLDEJMD-GFCCVEGCSA-N 1 3 249.358 1.320 20 0 BDADHO Cc1cn[nH]c1CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422561431 387601873 /nfs/dbraw/zinc/60/18/73/387601873.db2.gz LETNTBNWMFHIAI-JLLWLGSASA-N 1 3 236.363 1.523 20 0 BDADHO CC[C@H](C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705182 387620673 /nfs/dbraw/zinc/62/06/73/387620673.db2.gz BIIGEBPYAYSDGL-UVYIHGJDSA-N 1 3 226.364 1.266 20 0 BDADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@@H]1CCCOCC1 ZINC000527533397 387625663 /nfs/dbraw/zinc/62/56/63/387625663.db2.gz VGVAGWOPLSRZCS-NEPJUHHUSA-N 1 3 224.348 1.430 20 0 BDADHO CN1CC[C@H](C[N@H+](C)C/C=C/c2ccncc2)C1 ZINC000426168154 387546114 /nfs/dbraw/zinc/54/61/14/387546114.db2.gz XYVVEFSUGNBQHN-NHZBNJEXSA-N 1 3 245.370 1.978 20 0 BDADHO CN1CC[C@H](C[N@@H+](C)C/C=C/c2ccncc2)C1 ZINC000426168154 387546119 /nfs/dbraw/zinc/54/61/19/387546119.db2.gz XYVVEFSUGNBQHN-NHZBNJEXSA-N 1 3 245.370 1.978 20 0 BDADHO CCN(CCC[NH3+])Cc1ccc(OC)cc1 ZINC000036731781 387556006 /nfs/dbraw/zinc/55/60/06/387556006.db2.gz VJIJBXKMEDWHNU-UHFFFAOYSA-N 1 3 222.332 1.866 20 0 BDADHO CC(C)OCCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430578846 387631723 /nfs/dbraw/zinc/63/17/23/387631723.db2.gz BNWJDQBJGXJZDU-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CCN(C)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000422722523 387632313 /nfs/dbraw/zinc/63/23/13/387632313.db2.gz YGAKNUAGHYIKAT-UKRRQHHQSA-N 1 3 249.402 1.486 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC1 ZINC000422726319 387636270 /nfs/dbraw/zinc/63/62/70/387636270.db2.gz DOCAHCWLULISJH-GXFFZTMASA-N 1 3 204.317 1.697 20 0 BDADHO COCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422728056 387636370 /nfs/dbraw/zinc/63/63/70/387636370.db2.gz DWWZNNKVSAEFDO-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccccn1 ZINC000422731850 387640583 /nfs/dbraw/zinc/64/05/83/387640583.db2.gz MSAIWRNGRAWMTM-KGLIPLIRSA-N 1 3 233.359 1.874 20 0 BDADHO CO[C@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793530 387694977 /nfs/dbraw/zinc/69/49/77/387694977.db2.gz SHZZSMKNWQBLIN-AEBFUODCSA-N 1 3 238.375 1.817 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)Cc1ccccc1 ZINC000422736240 387643407 /nfs/dbraw/zinc/64/34/07/387643407.db2.gz FZZJUDFXOWLTGS-ZNMIVQPWSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422736240 387643410 /nfs/dbraw/zinc/64/34/10/387643410.db2.gz FZZJUDFXOWLTGS-ZNMIVQPWSA-N 1 3 248.370 1.307 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCO1 ZINC000422741929 387648281 /nfs/dbraw/zinc/64/82/81/387648281.db2.gz FQVQUWJJORXZPC-TUAOUCFPSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@@H](NCCc1ccccc1)C1C[NH2+]C1 ZINC000422749015 387653531 /nfs/dbraw/zinc/65/35/31/387653531.db2.gz XAYQEARNGCFLID-LLVKDONJSA-N 1 3 204.317 1.427 20 0 BDADHO C[C@@H]([NH2+]CCc1ccccc1)C1CNC1 ZINC000422749015 387653534 /nfs/dbraw/zinc/65/35/34/387653534.db2.gz XAYQEARNGCFLID-LLVKDONJSA-N 1 3 204.317 1.427 20 0 BDADHO C[C@H](NCCCN(C)c1ccccc1)C1C[NH2+]C1 ZINC000422751799 387655842 /nfs/dbraw/zinc/65/58/42/387655842.db2.gz CZAAPIJZRCFORR-ZDUSSCGKSA-N 1 3 247.386 1.710 20 0 BDADHO C[C@H]([NH2+]CCCN(C)c1ccccc1)C1CNC1 ZINC000422751799 387655844 /nfs/dbraw/zinc/65/58/44/387655844.db2.gz CZAAPIJZRCFORR-ZDUSSCGKSA-N 1 3 247.386 1.710 20 0 BDADHO CC(C)OCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422760284 387663194 /nfs/dbraw/zinc/66/31/94/387663194.db2.gz LSTBEVCNVXFLBY-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO COc1cc(C[NH2+][C@H]2CCC[C@@H]2N)ccc1C ZINC000422768952 387667477 /nfs/dbraw/zinc/66/74/77/387667477.db2.gz VDTNENDRTAHMOC-STQMWFEESA-N 1 3 234.343 1.973 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCCC1 ZINC000422767780 387668116 /nfs/dbraw/zinc/66/81/16/387668116.db2.gz ROCLQIZQQOQHLI-QWHCGFSZSA-N 1 3 225.380 1.060 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)CC(C)(C)C ZINC000422767025 387669048 /nfs/dbraw/zinc/66/90/48/387669048.db2.gz SAKJUFDZGRJVDL-JHJVBQTASA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000422767025 387669053 /nfs/dbraw/zinc/66/90/53/387669053.db2.gz SAKJUFDZGRJVDL-JHJVBQTASA-N 1 3 242.407 1.761 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)N1CCC(C)CC1 ZINC000422778134 387675321 /nfs/dbraw/zinc/67/53/21/387675321.db2.gz HHOKMELXBBZBNV-OLZOCXBDSA-N 1 3 239.407 1.304 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000422779439 387677151 /nfs/dbraw/zinc/67/71/51/387677151.db2.gz ISXZPFKVGDOLKA-OLZOCXBDSA-N 1 3 238.375 1.676 20 0 BDADHO CCO[C@H]1C[C@@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000422779439 387677163 /nfs/dbraw/zinc/67/71/63/387677163.db2.gz ISXZPFKVGDOLKA-OLZOCXBDSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422780922 387680074 /nfs/dbraw/zinc/68/00/74/387680074.db2.gz KZCATSBKKSOJKA-YNEHKIRRSA-N 1 3 228.380 1.501 20 0 BDADHO CC[NH2+]CCNC(=O)[C@H](N)CC1CCCCC1 ZINC000422781736 387680850 /nfs/dbraw/zinc/68/08/50/387680850.db2.gz IZPFVDUTUMGWBV-GFCCVEGCSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCCOCC1CC1 ZINC000422782944 387681391 /nfs/dbraw/zinc/68/13/91/387681391.db2.gz KHESJBUCDZRDHE-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO COCCOCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422784107 387683617 /nfs/dbraw/zinc/68/36/17/387683617.db2.gz LVSBYRFHSCOLOL-OLZOCXBDSA-N 1 3 244.379 1.017 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cnn(C)c1 ZINC000044498873 387683839 /nfs/dbraw/zinc/68/38/39/387683839.db2.gz ZFJQGQFWLIBPAU-NEPJUHHUSA-N 1 3 248.374 1.555 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cnn(C)c1 ZINC000044498875 387684206 /nfs/dbraw/zinc/68/42/06/387684206.db2.gz ZFJQGQFWLIBPAU-NWDGAFQWSA-N 1 3 248.374 1.555 20 0 BDADHO CCCCOCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422784661 387684588 /nfs/dbraw/zinc/68/45/88/387684588.db2.gz QBONTBHSYACZIV-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CCC[NH2+]CC1 ZINC000422788116 387686853 /nfs/dbraw/zinc/68/68/53/387686853.db2.gz VGZBGBQAWVNOJL-NWDGAFQWSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCCNCC1 ZINC000422788116 387686863 /nfs/dbraw/zinc/68/68/63/387686863.db2.gz VGZBGBQAWVNOJL-NWDGAFQWSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CCC[NH2+]CC1 ZINC000422788119 387687209 /nfs/dbraw/zinc/68/72/09/387687209.db2.gz VGZBGBQAWVNOJL-VXGBXAGGSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCCNCC1 ZINC000422788119 387687214 /nfs/dbraw/zinc/68/72/14/387687214.db2.gz VGZBGBQAWVNOJL-VXGBXAGGSA-N 1 3 214.353 1.125 20 0 BDADHO CCN(CC)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422744854 387693746 /nfs/dbraw/zinc/69/37/46/387693746.db2.gz KYCGGKNFWUHXJS-MNOVXSKESA-N 1 3 201.358 1.044 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000422861526 387744591 /nfs/dbraw/zinc/74/45/91/387744591.db2.gz OIYBONWSBPBFDO-BNOWGMLFSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2N)CN1C1CC1 ZINC000422861758 387745233 /nfs/dbraw/zinc/74/52/33/387745233.db2.gz JNNRUFPINIRTRQ-DNIRFERGSA-N 1 3 223.364 1.081 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])CN1C1CC1 ZINC000422861758 387745236 /nfs/dbraw/zinc/74/52/36/387745236.db2.gz JNNRUFPINIRTRQ-DNIRFERGSA-N 1 3 223.364 1.081 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422868171 387749585 /nfs/dbraw/zinc/74/95/85/387749585.db2.gz UNGZQNWPYMNSAN-UPJWGTAASA-N 1 3 228.380 1.373 20 0 BDADHO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]1N ZINC000422868789 387750861 /nfs/dbraw/zinc/75/08/61/387750861.db2.gz WBBITIHZVSEVGH-JHJVBQTASA-N 1 3 225.380 1.330 20 0 BDADHO COCc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422873460 387751908 /nfs/dbraw/zinc/75/19/08/387751908.db2.gz AKUYUUNTZGXYCR-KBPBESRZSA-N 1 3 234.343 1.802 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(-n2ccnc2)cc1 ZINC000643526066 387754071 /nfs/dbraw/zinc/75/40/71/387754071.db2.gz OPHSHPHCKBJTJY-NWDGAFQWSA-N 1 3 244.342 1.870 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCCOc1ccccc1 ZINC000422795832 387697007 /nfs/dbraw/zinc/69/70/07/387697007.db2.gz WSWHMWLPJMVAJB-ZIAGYGMSSA-N 1 3 234.343 1.925 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422802273 387703012 /nfs/dbraw/zinc/70/30/12/387703012.db2.gz DFJCNJNQJMAIQQ-MELADBBJSA-N 1 3 242.407 1.619 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000422806899 387705322 /nfs/dbraw/zinc/70/53/22/387705322.db2.gz IWWDIMFAIYLITC-HBNTYKKESA-N 1 3 216.369 1.763 20 0 BDADHO CN(CCN[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000422805441 387706033 /nfs/dbraw/zinc/70/60/33/387706033.db2.gz GUIGMDFPLPIPNW-ZFWWWQNUSA-N 1 3 247.386 1.840 20 0 BDADHO CN(CC[NH2+][C@H]1CCC[C@H]1CN)c1ccccc1 ZINC000422805441 387706039 /nfs/dbraw/zinc/70/60/39/387706039.db2.gz GUIGMDFPLPIPNW-ZFWWWQNUSA-N 1 3 247.386 1.840 20 0 BDADHO C[C@@H](NCCN1CCCCCC1)C1C[NH2+]C1 ZINC000422807797 387706246 /nfs/dbraw/zinc/70/62/46/387706246.db2.gz NFNSJAUKDLSABQ-GFCCVEGCSA-N 1 3 225.380 1.060 20 0 BDADHO C[C@@H](N[C@@H](C)Cc1cccs1)C1C[NH2+]C1 ZINC000422808270 387708332 /nfs/dbraw/zinc/70/83/32/387708332.db2.gz OCZZRJWYVPAPLL-VHSXEESVSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)Cc1cccs1)C1CNC1 ZINC000422808270 387708336 /nfs/dbraw/zinc/70/83/36/387708336.db2.gz OCZZRJWYVPAPLL-VHSXEESVSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCC1CCCC1 ZINC000422809280 387708405 /nfs/dbraw/zinc/70/84/05/387708405.db2.gz RRTWXIHIIUVAKS-FPMFFAJLSA-N 1 3 240.391 1.909 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815967 387713760 /nfs/dbraw/zinc/71/37/60/387713760.db2.gz YVULIJCLCMQMOG-CHWSQXEVSA-N 1 3 240.391 1.646 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815969 387714757 /nfs/dbraw/zinc/71/47/57/387714757.db2.gz YVULIJCLCMQMOG-QWHCGFSZSA-N 1 3 240.391 1.646 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCCSC1 ZINC000422818980 387718057 /nfs/dbraw/zinc/71/80/57/387718057.db2.gz LWLZCJYNEDKPHL-AEJSXWLSSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCSC1 ZINC000422818980 387718063 /nfs/dbraw/zinc/71/80/63/387718063.db2.gz LWLZCJYNEDKPHL-AEJSXWLSSA-N 1 3 202.367 1.597 20 0 BDADHO CC(C)C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000422821687 387718128 /nfs/dbraw/zinc/71/81/28/387718128.db2.gz XVVCJVKNXTZNKS-MCIONIFRSA-N 1 3 241.423 1.550 20 0 BDADHO CNC(=O)c1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422826424 387720752 /nfs/dbraw/zinc/72/07/52/387720752.db2.gz LKTGAVBAHWUGHI-MNOVXSKESA-N 1 3 249.358 1.262 20 0 BDADHO C[C@@H]1C[C@@H](O)CN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000452069836 387723000 /nfs/dbraw/zinc/72/30/00/387723000.db2.gz NHSRSXIPWPCBBL-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1C[C@@H](O)CN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000452069836 387723005 /nfs/dbraw/zinc/72/30/05/387723005.db2.gz NHSRSXIPWPCBBL-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](NCC1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422841323 387730905 /nfs/dbraw/zinc/73/09/05/387730905.db2.gz CTKIHMDSIHOAGY-STQMWFEESA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCN1 ZINC000422841323 387730910 /nfs/dbraw/zinc/73/09/10/387730910.db2.gz CTKIHMDSIHOAGY-STQMWFEESA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000422850837 387735135 /nfs/dbraw/zinc/73/51/35/387735135.db2.gz OFDPRBHWTTVWKQ-ZRUFSTJUSA-N 1 3 214.353 1.515 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@H](C)N)C1(C)C ZINC000422850837 387735139 /nfs/dbraw/zinc/73/51/39/387735139.db2.gz OFDPRBHWTTVWKQ-ZRUFSTJUSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CC12CC2 ZINC000527863779 387737360 /nfs/dbraw/zinc/73/73/60/387737360.db2.gz JCQHCWHZGUTTPC-NEPJUHHUSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CC12CC2 ZINC000527863784 387737963 /nfs/dbraw/zinc/73/79/63/387737963.db2.gz JCQHCWHZGUTTPC-RYUDHWBXSA-N 1 3 238.375 1.221 20 0 BDADHO CO[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852701 387738353 /nfs/dbraw/zinc/73/83/53/387738353.db2.gz RDBQETJDAOUJQK-KTCIRNNBSA-N 1 3 238.375 1.673 20 0 BDADHO C[C@@H]1[C@H](C)N(CC[C@H]2CCC[N@@H+]2C)CCN1C ZINC000356967998 387756066 /nfs/dbraw/zinc/75/60/66/387756066.db2.gz AUUAIVGEVCUQSH-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1[C@H](C)N(CC[C@H]2CCC[N@H+]2C)CCN1C ZINC000356967998 387756068 /nfs/dbraw/zinc/75/60/68/387756068.db2.gz AUUAIVGEVCUQSH-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCOC1 ZINC000422856110 387740734 /nfs/dbraw/zinc/74/07/34/387740734.db2.gz DPFROPYQVJFBJI-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000422856110 387740740 /nfs/dbraw/zinc/74/07/40/387740740.db2.gz DPFROPYQVJFBJI-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643526065 387756203 /nfs/dbraw/zinc/75/62/03/387756203.db2.gz OPHSHPHCKBJTJY-NEPJUHHUSA-N 1 3 244.342 1.870 20 0 BDADHO C[C@H](CCc1n[nH]c2ccccc12)NC[C@H](C)[NH3+] ZINC000643527372 387763508 /nfs/dbraw/zinc/76/35/08/387763508.db2.gz LRMOMODDCXJDJM-WDEREUQCSA-N 1 3 246.358 1.821 20 0 BDADHO COC[C@H](NC[C@H](C)[NH3+])C1CCCC1 ZINC000643527550 387764999 /nfs/dbraw/zinc/76/49/99/387764999.db2.gz OJCCCXTZFYGACB-ONGXEEELSA-N 1 3 200.326 1.128 20 0 BDADHO CCCCO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C1(C)C ZINC000643527578 387765451 /nfs/dbraw/zinc/76/54/51/387765451.db2.gz OSVKSTPKAZYHHA-IJLUTSLNSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C1(C)C ZINC000643527520 387766224 /nfs/dbraw/zinc/76/62/24/387766224.db2.gz NWPUWFPYVHMYCU-IJLUTSLNSA-N 1 3 228.380 1.763 20 0 BDADHO C[C@@H](NC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422896421 387766715 /nfs/dbraw/zinc/76/67/15/387766715.db2.gz IGVNRCQBDQLONM-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CCCC1 ZINC000422904374 387767688 /nfs/dbraw/zinc/76/76/88/387767688.db2.gz XGHQNYVDGHVBEX-DRZSPHRISA-N 1 3 226.364 1.519 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422912038 387771394 /nfs/dbraw/zinc/77/13/94/387771394.db2.gz VABUOIXBAKLJSJ-IHRRRGAJSA-N 1 3 241.423 1.966 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000643528817 387771713 /nfs/dbraw/zinc/77/17/13/387771713.db2.gz PLFHSWZBSUMVPL-GBIKHYSHSA-N 1 3 204.317 1.857 20 0 BDADHO C[C@H](C[NH3+])CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000441615192 387772484 /nfs/dbraw/zinc/77/24/84/387772484.db2.gz SOBXYLNRSMSYIS-NTZNESFSSA-N 1 3 249.358 1.034 20 0 BDADHO CC(C)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422919339 387775778 /nfs/dbraw/zinc/77/57/78/387775778.db2.gz JPUOQAONGWAHGR-YNEHKIRRSA-N 1 3 240.391 1.765 20 0 BDADHO CCOCCC1(C[NH2+][C@H](C)C2CNC2)CCC1 ZINC000422933766 387783580 /nfs/dbraw/zinc/78/35/80/387783580.db2.gz DSLBRTJLKMEHNW-GFCCVEGCSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CCCCN1 ZINC000422944706 387784883 /nfs/dbraw/zinc/78/48/83/387784883.db2.gz SJHJZITWOZNBSS-WXHSDQCUSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](NC[C@@H]1CCCN1C)[C@H]1CCCC[NH2+]1 ZINC000422901524 387786959 /nfs/dbraw/zinc/78/69/59/387786959.db2.gz LFZCXGQSDWFIDM-FRRDWIJNSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000422903633 387787693 /nfs/dbraw/zinc/78/76/93/387787693.db2.gz OQHBDOKJWHFESR-RNJOBUHISA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422982242 387793188 /nfs/dbraw/zinc/79/31/88/387793188.db2.gz WHXOGHJOLULUJC-MJBXVCDLSA-N 1 3 242.407 1.891 20 0 BDADHO CC[C@@H](NCC(C)(C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422985707 387795176 /nfs/dbraw/zinc/79/51/76/387795176.db2.gz FWRORUYIYFNPJY-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCCN1 ZINC000422985707 387795181 /nfs/dbraw/zinc/79/51/81/387795181.db2.gz FWRORUYIYFNPJY-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](NC[C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422989765 387798774 /nfs/dbraw/zinc/79/87/74/387798774.db2.gz MKVPZFJLQHDQAW-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](CO)c1ccccc1 ZINC000422990086 387799472 /nfs/dbraw/zinc/79/94/72/387799472.db2.gz BMLJZXDLNDJQGA-SGMGOOAPSA-N 1 3 236.359 1.478 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000422990086 387799475 /nfs/dbraw/zinc/79/94/75/387799475.db2.gz BMLJZXDLNDJQGA-SGMGOOAPSA-N 1 3 236.359 1.478 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422992076 387800877 /nfs/dbraw/zinc/80/08/77/387800877.db2.gz QQONRAFHMUEMQC-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)CN1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000422997886 387805974 /nfs/dbraw/zinc/80/59/74/387805974.db2.gz OYCDGVCRKYDTFS-KGLIPLIRSA-N 1 3 239.407 1.448 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNc1ccccn1 ZINC000423001944 387806582 /nfs/dbraw/zinc/80/65/82/387806582.db2.gz FJARAAIDSJSRCF-CHWSQXEVSA-N 1 3 248.374 1.601 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423001944 387806584 /nfs/dbraw/zinc/80/65/84/387806584.db2.gz FJARAAIDSJSRCF-CHWSQXEVSA-N 1 3 248.374 1.601 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000422951889 387807448 /nfs/dbraw/zinc/80/74/48/387807448.db2.gz AQOQOUBPVPMZGV-RWMBFGLXSA-N 1 3 240.391 1.909 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000527975238 387813512 /nfs/dbraw/zinc/81/35/12/387813512.db2.gz SKACMEXZNXQANE-KSTCHIGDSA-N 1 3 240.391 1.872 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000527975238 387813518 /nfs/dbraw/zinc/81/35/18/387813518.db2.gz SKACMEXZNXQANE-KSTCHIGDSA-N 1 3 240.391 1.872 20 0 BDADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000422952486 387810405 /nfs/dbraw/zinc/81/04/05/387810405.db2.gz CNEJFMRJBOSBBG-UTUOFQBUSA-N 1 3 238.379 1.543 20 0 BDADHO C[C@@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423004792 387825537 /nfs/dbraw/zinc/82/55/37/387825537.db2.gz KUICJFAACWYWHP-UMSGYPCISA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000422975869 387826378 /nfs/dbraw/zinc/82/63/78/387826378.db2.gz HOYQPJUINHBMDC-DDTOSNHZSA-N 1 3 234.343 1.793 20 0 BDADHO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCCN1 ZINC000423004077 387826481 /nfs/dbraw/zinc/82/64/81/387826481.db2.gz JCMPIHOPPVFZLQ-LPWJVIDDSA-N 1 3 226.364 1.268 20 0 BDADHO CCC(CC)(CO)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423003231 387826812 /nfs/dbraw/zinc/82/68/12/387826812.db2.gz LDHAIHYEFQKOGK-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO CCCC[C@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000442721425 387827968 /nfs/dbraw/zinc/82/79/68/387827968.db2.gz VDLOHGSEVJJWPM-JTQLQIEISA-N 1 3 229.368 1.138 20 0 BDADHO COc1cccc(CCN[C@@H]2CCC[NH2+]CC2)n1 ZINC000423007363 387828562 /nfs/dbraw/zinc/82/85/62/387828562.db2.gz QMABSSKSQGJHPR-GFCCVEGCSA-N 1 3 249.358 1.364 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423006827 387829611 /nfs/dbraw/zinc/82/96/11/387829611.db2.gz WNNLXXSKKAEIAU-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423008673 387832029 /nfs/dbraw/zinc/83/20/29/387832029.db2.gz TZHRJEJEEVCZLD-RRFJBIMHSA-N 1 3 248.370 1.480 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](CO)c1ccccc1 ZINC000423008673 387832034 /nfs/dbraw/zinc/83/20/34/387832034.db2.gz TZHRJEJEEVCZLD-RRFJBIMHSA-N 1 3 248.370 1.480 20 0 BDADHO CCOC1CC(CC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423075655 387873195 /nfs/dbraw/zinc/87/31/95/387873195.db2.gz XINXIGMGFRDVIR-YIOUJQMASA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCNc1ccccn1 ZINC000423010829 387833257 /nfs/dbraw/zinc/83/32/57/387833257.db2.gz YNXBKQPGMXJUKM-QWRGUYRKSA-N 1 3 222.336 1.209 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccncc1 ZINC000423010789 387833423 /nfs/dbraw/zinc/83/34/23/387833423.db2.gz YIQCIHYQFBEVQM-GXTWGEPZSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccncc1 ZINC000423010789 387833424 /nfs/dbraw/zinc/83/34/24/387833424.db2.gz YIQCIHYQFBEVQM-GXTWGEPZSA-N 1 3 233.359 1.602 20 0 BDADHO CO[C@@H]1CCC[C@@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013142 387836737 /nfs/dbraw/zinc/83/67/37/387836737.db2.gz FFENVEBAYRSRKQ-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCO[C@H]1C1CC1 ZINC000423013665 387836920 /nfs/dbraw/zinc/83/69/20/387836920.db2.gz NEPSFKBURDZWQX-QSFUFRPTSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423013345 387837109 /nfs/dbraw/zinc/83/71/09/387837109.db2.gz MQVMORXUNZLODG-RWMBFGLXSA-N 1 3 228.380 1.373 20 0 BDADHO Cc1cncc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423018374 387841029 /nfs/dbraw/zinc/84/10/29/387841029.db2.gz YSPUZUUZZDGTPW-UONOGXRCSA-N 1 3 233.359 1.997 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000423031537 387846395 /nfs/dbraw/zinc/84/63/95/387846395.db2.gz LGIRFAKMHDCHKU-UPJWGTAASA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032738 387848384 /nfs/dbraw/zinc/84/83/84/387848384.db2.gz NBGCKNMQVKTMKI-WUHRBBMRSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOC(F)(F)F ZINC000423072892 387873947 /nfs/dbraw/zinc/87/39/47/387873947.db2.gz QKBPVQBXVNTADD-RQJHMYQMSA-N 1 3 214.231 1.238 20 0 BDADHO CCC(O)(CC)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423075494 387873957 /nfs/dbraw/zinc/87/39/57/387873957.db2.gz XCVKOJFQFWWVIE-MNOVXSKESA-N 1 3 216.369 1.643 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423075494 387873959 /nfs/dbraw/zinc/87/39/59/387873959.db2.gz XCVKOJFQFWWVIE-MNOVXSKESA-N 1 3 216.369 1.643 20 0 BDADHO CS[C@@H](C[NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000423033665 387849369 /nfs/dbraw/zinc/84/93/69/387849369.db2.gz OVXVIXLUUAXSBF-KOLCDFICSA-N 1 3 230.421 1.962 20 0 BDADHO CS[C@@H](CN[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033665 387849372 /nfs/dbraw/zinc/84/93/72/387849372.db2.gz OVXVIXLUUAXSBF-KOLCDFICSA-N 1 3 230.421 1.962 20 0 BDADHO CS[C@H](C[NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000423033667 387849551 /nfs/dbraw/zinc/84/95/51/387849551.db2.gz OVXVIXLUUAXSBF-MWLCHTKSSA-N 1 3 230.421 1.962 20 0 BDADHO CS[C@H](CN[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033667 387849555 /nfs/dbraw/zinc/84/95/55/387849555.db2.gz OVXVIXLUUAXSBF-MWLCHTKSSA-N 1 3 230.421 1.962 20 0 BDADHO C[C@@H](C[NH2+]C1CCOCC1)CN1CCCC1 ZINC000062078429 387850576 /nfs/dbraw/zinc/85/05/76/387850576.db2.gz DJUHLLKVRYBSKB-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC1=CCN(CC[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000423039147 387852874 /nfs/dbraw/zinc/85/28/74/387852874.db2.gz PXZPMTDXTHEKLU-STQMWFEESA-N 1 3 223.364 1.108 20 0 BDADHO CC1=CCN(CCN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039147 387852876 /nfs/dbraw/zinc/85/28/76/387852876.db2.gz PXZPMTDXTHEKLU-STQMWFEESA-N 1 3 223.364 1.108 20 0 BDADHO CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)C2CNC2)CCO1 ZINC000423039933 387852976 /nfs/dbraw/zinc/85/29/76/387852976.db2.gz GFRFJGXFGOJQHH-MRVWCRGKSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H](NC[C@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038387 387853246 /nfs/dbraw/zinc/85/32/46/387853246.db2.gz YPMYQUNTEZFXKD-IUODEOHRSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C1CNC1 ZINC000423038387 387853248 /nfs/dbraw/zinc/85/32/48/387853248.db2.gz YPMYQUNTEZFXKD-IUODEOHRSA-N 1 3 248.370 1.178 20 0 BDADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](N)c1ccccc1 ZINC000433171292 387853256 /nfs/dbraw/zinc/85/32/56/387853256.db2.gz DAPPODIJAFYCAR-QWHCGFSZSA-N 1 3 249.358 1.034 20 0 BDADHO CC(C)OCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423041133 387853396 /nfs/dbraw/zinc/85/33/96/387853396.db2.gz WDZZBMRSYUMCPZ-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H](CO)Cc1ccccc1 ZINC000423047502 387856582 /nfs/dbraw/zinc/85/65/82/387856582.db2.gz GGZRUESVYYMBOJ-MBNYWOFBSA-N 1 3 236.359 1.305 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000423047941 387856814 /nfs/dbraw/zinc/85/68/14/387856814.db2.gz HTWVNQWGECMEQF-VTPLQMEGSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@H]1CCCOC1 ZINC000423048187 387857039 /nfs/dbraw/zinc/85/70/39/387857039.db2.gz VVZSGYXCGCBFDH-CRWXNKLISA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051323 387860477 /nfs/dbraw/zinc/86/04/77/387860477.db2.gz NPDLLDHTEUTLDP-WCFLWFBJSA-N 1 3 240.391 1.776 20 0 BDADHO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C2CNC2)C1(C)C ZINC000423051323 387860481 /nfs/dbraw/zinc/86/04/81/387860481.db2.gz NPDLLDHTEUTLDP-WCFLWFBJSA-N 1 3 240.391 1.776 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056106 387861702 /nfs/dbraw/zinc/86/17/02/387861702.db2.gz XCQUYNODEVGDER-CIUDSAMLSA-N 1 3 224.270 1.772 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423073360 387874502 /nfs/dbraw/zinc/87/45/02/387874502.db2.gz RDWSTJCJWQXVMQ-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423073360 387874512 /nfs/dbraw/zinc/87/45/12/387874512.db2.gz RDWSTJCJWQXVMQ-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1(CO)CCCC1 ZINC000423057598 387864508 /nfs/dbraw/zinc/86/45/08/387864508.db2.gz ZRBHUZOHJKMCGK-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCC1(CO)CCCC1 ZINC000423057598 387864512 /nfs/dbraw/zinc/86/45/12/387864512.db2.gz ZRBHUZOHJKMCGK-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060345 387865727 /nfs/dbraw/zinc/86/57/27/387865727.db2.gz HVOLBTJFLHMPTI-REWJHTLYSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460222 387874754 /nfs/dbraw/zinc/87/47/54/387874754.db2.gz CLRAPLOSYCZCHK-TZMCWYRMSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCNCC1)c1ccncc1 ZINC000643460222 387874757 /nfs/dbraw/zinc/87/47/57/387874757.db2.gz CLRAPLOSYCZCHK-TZMCWYRMSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOCC(F)F ZINC000423065807 387870623 /nfs/dbraw/zinc/87/06/23/387870623.db2.gz CMSWBSJCEXACQP-ZJUUUORDSA-N 1 3 236.306 1.246 20 0 BDADHO C[C@H](NC[C@H]1CC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000423070670 387871117 /nfs/dbraw/zinc/87/11/17/387871117.db2.gz NJMXNJXKCAJSPR-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO CCC(O)(CC)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423075495 387874784 /nfs/dbraw/zinc/87/47/84/387874784.db2.gz XCVKOJFQFWWVIE-QWRGUYRKSA-N 1 3 216.369 1.643 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H](C)C[C@H](C)N ZINC000423075495 387874787 /nfs/dbraw/zinc/87/47/87/387874787.db2.gz XCVKOJFQFWWVIE-QWRGUYRKSA-N 1 3 216.369 1.643 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(CO)cc1 ZINC000643478215 387815724 /nfs/dbraw/zinc/81/57/24/387815724.db2.gz FVMHSBAQQWTISF-KBPBESRZSA-N 1 3 234.343 1.191 20 0 BDADHO C[C@@H]([NH3+])CN1CCN(CCC(C)(C)C)CC1 ZINC000442662704 387817844 /nfs/dbraw/zinc/81/78/44/387817844.db2.gz HXAOATNXPCFTPW-GFCCVEGCSA-N 1 3 227.396 1.387 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423102291 387889518 /nfs/dbraw/zinc/88/95/18/387889518.db2.gz DYPDRNIJCPWMMA-DGAVXFQQSA-N 1 3 240.391 1.637 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]1OC(F)F)[C@@H]1CC[NH2+]C1 ZINC000423109504 387894411 /nfs/dbraw/zinc/89/44/11/387894411.db2.gz HIZKPJFOQANXLX-LNFKQOIKSA-N 1 3 248.317 1.734 20 0 BDADHO COCC[C@@H]([NH2+][C@@H]1CCNC1)C(C)(C)C ZINC000423115094 387895573 /nfs/dbraw/zinc/89/55/73/387895573.db2.gz MSMMBHCKANVVJN-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@@H](O)Cc1ccccc1 ZINC000423112586 387896002 /nfs/dbraw/zinc/89/60/02/387896002.db2.gz SBJKNGHRDXAMTI-BZPMIXESSA-N 1 3 236.359 1.305 20 0 BDADHO CCCN1CCC[C@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423112238 387896064 /nfs/dbraw/zinc/89/60/64/387896064.db2.gz RUHTXIUUBSQILQ-IHRRRGAJSA-N 1 3 239.407 1.448 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000423112170 387896552 /nfs/dbraw/zinc/89/65/52/387896552.db2.gz RNMPJWGVGJHGRW-KATARQTJSA-N 1 3 218.291 1.747 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000423112173 387896980 /nfs/dbraw/zinc/89/69/80/387896980.db2.gz RNMPJWGVGJHGRW-XKNYDFJKSA-N 1 3 218.291 1.747 20 0 BDADHO C[C@H](NCCc1cccc2[nH]ccc21)C1C[NH2+]C1 ZINC000423117591 387898113 /nfs/dbraw/zinc/89/81/13/387898113.db2.gz WDZIKBMHIWNUMY-NSHDSACASA-N 1 3 243.354 1.908 20 0 BDADHO C[C@H]([NH2+]CCc1cccc2[nH]ccc21)C1CNC1 ZINC000423117591 387898120 /nfs/dbraw/zinc/89/81/20/387898120.db2.gz WDZIKBMHIWNUMY-NSHDSACASA-N 1 3 243.354 1.908 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOC(F)(F)F ZINC000423072889 387875347 /nfs/dbraw/zinc/87/53/47/387875347.db2.gz QKBPVQBXVNTADD-BQBZGAKWSA-N 1 3 214.231 1.238 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460305 387875387 /nfs/dbraw/zinc/87/53/87/387875387.db2.gz NTWAJUGFYFXDST-GRYCIOLGSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)c1ccncc1 ZINC000643460305 387875391 /nfs/dbraw/zinc/87/53/91/387875391.db2.gz NTWAJUGFYFXDST-GRYCIOLGSA-N 1 3 221.348 1.901 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423080332 387877171 /nfs/dbraw/zinc/87/71/71/387877171.db2.gz AAHXKGZGNUVVKJ-YFKTTZPYSA-N 1 3 240.347 1.045 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000423080332 387877177 /nfs/dbraw/zinc/87/71/77/387877177.db2.gz AAHXKGZGNUVVKJ-YFKTTZPYSA-N 1 3 240.347 1.045 20 0 BDADHO C[C@@H](NC[C@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083885 387879568 /nfs/dbraw/zinc/87/95/68/387879568.db2.gz ZJEPPFDPBDLPQO-RISCZKNCSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)C1CNC1 ZINC000423083885 387879570 /nfs/dbraw/zinc/87/95/70/387879570.db2.gz ZJEPPFDPBDLPQO-RISCZKNCSA-N 1 3 240.391 1.515 20 0 BDADHO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H]1N ZINC000423085868 387880123 /nfs/dbraw/zinc/88/01/23/387880123.db2.gz LRQXJGFSGHBOSB-UPJWGTAASA-N 1 3 239.407 1.576 20 0 BDADHO CSC1(C[NH2+][C@H](C)C[C@@H](C)N)CCC1 ZINC000423087714 387881605 /nfs/dbraw/zinc/88/16/05/387881605.db2.gz OTOHXJGDQCNQEV-NXEZZACHSA-N 1 3 216.394 1.988 20 0 BDADHO CSC1(CN[C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423087714 387881608 /nfs/dbraw/zinc/88/16/08/387881608.db2.gz OTOHXJGDQCNQEV-NXEZZACHSA-N 1 3 216.394 1.988 20 0 BDADHO CCn1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1=O ZINC000423090171 387882849 /nfs/dbraw/zinc/88/28/49/387882849.db2.gz USCBETJXRPTXPS-YPMHNXCESA-N 1 3 249.358 1.085 20 0 BDADHO C[C@H](N[C@@H](CO)CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000423092935 387882881 /nfs/dbraw/zinc/88/28/81/387882881.db2.gz DXLVETXJIFTYTP-RWMBFGLXSA-N 1 3 242.407 1.761 20 0 BDADHO CSC1(CN[C@H]2CCC[C@H]2[NH3+])CCC1 ZINC000423089893 387883687 /nfs/dbraw/zinc/88/36/87/387883687.db2.gz TZSWVQQZHPSCCE-ZJUUUORDSA-N 1 3 214.378 1.742 20 0 BDADHO COc1ncccc1CCN[C@H]1CCC[NH2+]CC1 ZINC000423142078 387917996 /nfs/dbraw/zinc/91/79/96/387917996.db2.gz TXFBXJKSOHMGBE-ZDUSSCGKSA-N 1 3 249.358 1.364 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000423140211 387918339 /nfs/dbraw/zinc/91/83/39/387918339.db2.gz XTJUASFWGWLQJS-WCABBAIRSA-N 1 3 200.326 1.127 20 0 BDADHO CO[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])C1CC1 ZINC000423126076 387904823 /nfs/dbraw/zinc/90/48/23/387904823.db2.gz APFCDQNFECNUPZ-RWMBFGLXSA-N 1 3 226.364 1.661 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423127278 387904987 /nfs/dbraw/zinc/90/49/87/387904987.db2.gz PDYUPKCQRXAKHO-DGAVXFQQSA-N 1 3 240.391 1.502 20 0 BDADHO COc1ccncc1CNC1CCC(C[NH3+])CC1 ZINC000423130586 387907410 /nfs/dbraw/zinc/90/74/10/387907410.db2.gz MXMMVOZSPMCPBB-UHFFFAOYSA-N 1 3 249.358 1.697 20 0 BDADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423131762 387909580 /nfs/dbraw/zinc/90/95/80/387909580.db2.gz ILXQYKAYUCXGMR-GARJFASQSA-N 1 3 202.317 1.842 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423136200 387913122 /nfs/dbraw/zinc/91/31/22/387913122.db2.gz UVTAUYYHJDILQU-ZJUUUORDSA-N 1 3 202.342 1.374 20 0 BDADHO CC[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])OC ZINC000423135757 387914561 /nfs/dbraw/zinc/91/45/61/387914561.db2.gz GMHWHMABMWUBOK-UTUOFQBUSA-N 1 3 214.353 1.661 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H](CO)C1CCCCC1 ZINC000423138796 387916661 /nfs/dbraw/zinc/91/66/61/387916661.db2.gz UDTLETZVNUDORD-MCIONIFRSA-N 1 3 240.391 1.645 20 0 BDADHO Cc1cccnc1CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423151323 387929967 /nfs/dbraw/zinc/92/99/67/387929967.db2.gz JUXFHOYPGMTSTR-UONOGXRCSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cccnc1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423151322 387930594 /nfs/dbraw/zinc/93/05/94/387930594.db2.gz JUXFHOYPGMTSTR-KGLIPLIRSA-N 1 3 247.386 1.910 20 0 BDADHO CCc1ncc(CN[C@@H](C)CCCC[NH3+])o1 ZINC000423154020 387931391 /nfs/dbraw/zinc/93/13/91/387931391.db2.gz IMKQJEYXEIOGQM-JTQLQIEISA-N 1 3 225.336 1.844 20 0 BDADHO C[NH+]1CCC(CCNCc2cncnc2)CC1 ZINC000105454124 387933535 /nfs/dbraw/zinc/93/35/35/387933535.db2.gz CLYSNRGJDJWSRT-UHFFFAOYSA-N 1 3 234.347 1.298 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCNCC[C@H]1C ZINC000423156824 387936838 /nfs/dbraw/zinc/93/68/38/387936838.db2.gz LQJWBEFMQNKYAY-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@H]1CCC[C@H]1F ZINC000423144762 387921275 /nfs/dbraw/zinc/92/12/75/387921275.db2.gz HWFNWFRVCCOKRO-WYUUTHIRSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423146087 387923244 /nfs/dbraw/zinc/92/32/44/387923244.db2.gz NYGHVQLTIXOAES-XQQFMLRXSA-N 1 3 228.380 1.373 20 0 BDADHO Cc1cccnc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423146863 387924799 /nfs/dbraw/zinc/92/47/99/387924799.db2.gz BJVWHPPRDFEUMF-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccnc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000423146863 387924802 /nfs/dbraw/zinc/92/48/02/387924802.db2.gz BJVWHPPRDFEUMF-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO C[NH+]1CCC(NCc2ccc3c[nH]nc3c2)CC1 ZINC000237169657 387924914 /nfs/dbraw/zinc/92/49/14/387924914.db2.gz SVZGJRSKFJXZBM-UHFFFAOYSA-N 1 3 244.342 1.747 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[C@H]1CN ZINC000423149794 387926982 /nfs/dbraw/zinc/92/69/82/387926982.db2.gz IBQBUEXRZXPLSK-CYDGBPFRSA-N 1 3 210.365 1.996 20 0 BDADHO COc1cccc2c1C[C@H](N[C@H](C)C1C[NH2+]C1)C2 ZINC000423167424 387951918 /nfs/dbraw/zinc/95/19/18/387951918.db2.gz FDDPIVZZRDWGQE-ZWNOBZJWSA-N 1 3 246.354 1.360 20 0 BDADHO COc1cccc2c1C[C@H]([NH2+][C@H](C)C1CNC1)C2 ZINC000423167424 387951921 /nfs/dbraw/zinc/95/19/21/387951921.db2.gz FDDPIVZZRDWGQE-ZWNOBZJWSA-N 1 3 246.354 1.360 20 0 BDADHO COc1cccc2c1C[C@@H](N[C@H](C)C1C[NH2+]C1)C2 ZINC000423167423 387952152 /nfs/dbraw/zinc/95/21/52/387952152.db2.gz FDDPIVZZRDWGQE-MFKMUULPSA-N 1 3 246.354 1.360 20 0 BDADHO COc1cccc2c1C[C@@H]([NH2+][C@H](C)C1CNC1)C2 ZINC000423167423 387952155 /nfs/dbraw/zinc/95/21/55/387952155.db2.gz FDDPIVZZRDWGQE-MFKMUULPSA-N 1 3 246.354 1.360 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C1(C)C ZINC000300384955 387953385 /nfs/dbraw/zinc/95/33/85/387953385.db2.gz JUEMYVUTQZZUES-OPRDCNLKSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423168475 387954222 /nfs/dbraw/zinc/95/42/22/387954222.db2.gz XZTCFHUNCSWIKR-XJFOESAGSA-N 1 3 240.391 1.515 20 0 BDADHO COc1cccc2c1C[C@H](N[C@H](C)C[C@H](C)[NH3+])C2 ZINC000423170002 387955146 /nfs/dbraw/zinc/95/51/46/387955146.db2.gz KZLKOMMEDWTRQT-DMDPSCGWSA-N 1 3 248.370 1.878 20 0 BDADHO COc1cccc2c1C[C@H]([NH2+][C@H](C)C[C@H](C)N)C2 ZINC000423170002 387955151 /nfs/dbraw/zinc/95/51/51/387955151.db2.gz KZLKOMMEDWTRQT-DMDPSCGWSA-N 1 3 248.370 1.878 20 0 BDADHO CCO[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423169535 387955579 /nfs/dbraw/zinc/95/55/79/387955579.db2.gz WHKULIODEWWCCI-NLCNOVPZSA-N 1 3 224.348 1.427 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](N)C2CCC2)c1 ZINC000424242372 387941423 /nfs/dbraw/zinc/94/14/23/387941423.db2.gz OSEVRPPCTVGECL-ZDUSSCGKSA-N 1 3 247.342 1.520 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCCCC[C@H]2[NH3+])O1 ZINC000423160782 387941439 /nfs/dbraw/zinc/94/14/39/387941439.db2.gz HVONGXSCTFCEJM-LPWJVIDDSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000423162302 387943745 /nfs/dbraw/zinc/94/37/45/387943745.db2.gz PAFCCNYHAZZDGV-UWVGGRQHSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)C(C)(C)O ZINC000423162302 387943749 /nfs/dbraw/zinc/94/37/49/387943749.db2.gz PAFCCNYHAZZDGV-UWVGGRQHSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164098 387944830 /nfs/dbraw/zinc/94/48/30/387944830.db2.gz NVRVUVRGFYGISZ-MROQNXINSA-N 1 3 226.364 1.125 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CC=CCC1 ZINC000392241314 387945167 /nfs/dbraw/zinc/94/51/67/387945167.db2.gz KLSKHFSDKFFDCE-UONOGXRCSA-N 1 3 237.391 1.355 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392241314 387945171 /nfs/dbraw/zinc/94/51/71/387945171.db2.gz KLSKHFSDKFFDCE-UONOGXRCSA-N 1 3 237.391 1.355 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423162971 387946796 /nfs/dbraw/zinc/94/67/96/387946796.db2.gz LYNPKAAZYPLLEX-DBIOUOCHSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC[C@@H](C)O1 ZINC000423166164 387950446 /nfs/dbraw/zinc/95/04/46/387950446.db2.gz QTLQKQVXHIDEJV-MMWGEVLESA-N 1 3 200.326 1.269 20 0 BDADHO CO[C@@H]1C[C@@H](N[C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172789 387960195 /nfs/dbraw/zinc/96/01/95/387960195.db2.gz VGENCBOOCHAKQR-YUSALJHKSA-N 1 3 224.348 1.142 20 0 BDADHO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)C12CCC2 ZINC000423172789 387960200 /nfs/dbraw/zinc/96/02/00/387960200.db2.gz VGENCBOOCHAKQR-YUSALJHKSA-N 1 3 224.348 1.142 20 0 BDADHO CCN1C[C@H]([NH2+]CC2(N)CCCCC2)[C@@H](C)C1 ZINC000423179881 387966294 /nfs/dbraw/zinc/96/62/94/387966294.db2.gz MRUGVSCJBKOMFX-STQMWFEESA-N 1 3 239.407 1.578 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)CS1 ZINC000423183547 387968532 /nfs/dbraw/zinc/96/85/32/387968532.db2.gz MOPVDDHFZMDUNR-WHOHXGKFSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)CS1 ZINC000423183547 387968534 /nfs/dbraw/zinc/96/85/34/387968534.db2.gz MOPVDDHFZMDUNR-WHOHXGKFSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1C[C@H]1c1ccco1 ZINC000423183558 387968941 /nfs/dbraw/zinc/96/89/41/387968941.db2.gz MPLAELQRWAOFAZ-LNFKQOIKSA-N 1 3 208.305 1.851 20 0 BDADHO CCCCO[C@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000423186059 387971332 /nfs/dbraw/zinc/97/13/32/387971332.db2.gz JWWRLUOHYKBDME-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO CCCCO[C@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000423186059 387971336 /nfs/dbraw/zinc/97/13/36/387971336.db2.gz JWWRLUOHYKBDME-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](NCCN1CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423170394 387957051 /nfs/dbraw/zinc/95/70/51/387957051.db2.gz XYFMNDQJRZYKBO-QWHCGFSZSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](Cc1cnccn1)[NH2+]CCCN1CCCC1 ZINC000453072586 387978874 /nfs/dbraw/zinc/97/88/74/387978874.db2.gz DOHCTPQEVVNMKR-ZDUSSCGKSA-N 1 3 248.374 1.483 20 0 BDADHO C[C@@H](Cc1cnccn1)NCCC[NH+]1CCCC1 ZINC000453072586 387978876 /nfs/dbraw/zinc/97/88/76/387978876.db2.gz DOHCTPQEVVNMKR-ZDUSSCGKSA-N 1 3 248.374 1.483 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCN ZINC000423190023 387974073 /nfs/dbraw/zinc/97/40/73/387974073.db2.gz NESLCJZIGLHLHK-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NCCC[NH3+] ZINC000423190023 387974076 /nfs/dbraw/zinc/97/40/76/387974076.db2.gz NESLCJZIGLHLHK-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO CCOCCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250574239 135053781 /nfs/dbraw/zinc/05/37/81/135053781.db2.gz WYRRSQJASKEJAZ-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424332051 387977433 /nfs/dbraw/zinc/97/74/33/387977433.db2.gz KMYIJQAUOMVKFJ-CHWSQXEVSA-N 1 3 247.342 1.145 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000423192863 387978470 /nfs/dbraw/zinc/97/84/70/387978470.db2.gz VFCZMKIGCWGFBS-FKZOYECMSA-N 1 3 240.391 1.909 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424364906 387990269 /nfs/dbraw/zinc/99/02/69/387990269.db2.gz FLLLPTDMDXOEDQ-GHMZBOCLSA-N 1 3 242.363 1.435 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423205010 387990636 /nfs/dbraw/zinc/99/06/36/387990636.db2.gz VAXQFKLIUXATQX-GRYCIOLGSA-N 1 3 242.363 1.163 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423205011 387992250 /nfs/dbraw/zinc/99/22/50/387992250.db2.gz VAXQFKLIUXATQX-IJLUTSLNSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])CS1 ZINC000423196146 387982040 /nfs/dbraw/zinc/98/20/40/387982040.db2.gz ZBNCHCXPMSAESG-KATARQTJSA-N 1 3 200.351 1.350 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCNC1 ZINC000423216598 388000403 /nfs/dbraw/zinc/00/04/03/388000403.db2.gz RWTGPVVEYPTMTG-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C1CNC1 ZINC000424385905 388000844 /nfs/dbraw/zinc/00/08/44/388000844.db2.gz WXPBWSCRTBAETD-CDMKHQONSA-N 1 3 208.349 1.620 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000246061459 388005281 /nfs/dbraw/zinc/00/52/81/388005281.db2.gz ZEQLVQKLKQDWLQ-QNWHQSFQSA-N 1 3 238.375 1.362 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000246061459 388005286 /nfs/dbraw/zinc/00/52/86/388005286.db2.gz ZEQLVQKLKQDWLQ-QNWHQSFQSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@H](NC[C@H](N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241585 388024886 /nfs/dbraw/zinc/02/48/86/388024886.db2.gz DHXWAKYHQVPOKZ-FPMFFAJLSA-N 1 3 233.359 1.417 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+]C[C@H](C)CN(C)C ZINC000453240653 388021797 /nfs/dbraw/zinc/02/17/97/388021797.db2.gz OGDJNWKPCUEHSQ-NWDGAFQWSA-N 1 3 236.363 1.195 20 0 BDADHO C[C@H](Cc1cnccn1)NC[C@H](C)C[NH+](C)C ZINC000453240653 388021800 /nfs/dbraw/zinc/02/18/00/388021800.db2.gz OGDJNWKPCUEHSQ-NWDGAFQWSA-N 1 3 236.363 1.195 20 0 BDADHO N[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000423254584 388035122 /nfs/dbraw/zinc/03/51/22/388035122.db2.gz YOWGDDSIFNXSKR-MJBXVCDLSA-N 1 3 233.359 1.403 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CC2CC(F)(F)C2)C1 ZINC000450405332 388035282 /nfs/dbraw/zinc/03/52/82/388035282.db2.gz QFCKBQTZHMXFKH-SNVBAGLBSA-N 1 3 232.318 1.915 20 0 BDADHO COC[C@@H](NC[C@@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263253 388040318 /nfs/dbraw/zinc/04/03/18/388040318.db2.gz ANFOEDWXLZCSFB-CHWSQXEVSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H]1CCO[C@H]1C ZINC000423263544 388042317 /nfs/dbraw/zinc/04/23/17/388042317.db2.gz OSNQSIXFNINORI-HBNTYKKESA-N 1 3 200.326 1.127 20 0 BDADHO N[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423249333 388031952 /nfs/dbraw/zinc/03/19/52/388031952.db2.gz ORRZXNSMHJUKDK-RRFJBIMHSA-N 1 3 247.386 1.794 20 0 BDADHO CCN1C[C@H]([NH2+]CC(N)(CC)CC)[C@@H](C)C1 ZINC000423283954 388066867 /nfs/dbraw/zinc/06/68/67/388066867.db2.gz GCXAEIMMSNYOCX-RYUDHWBXSA-N 1 3 227.396 1.434 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+]CC(N)(CC)CC)C1 ZINC000423283953 388067410 /nfs/dbraw/zinc/06/74/10/388067410.db2.gz GCXAEIMMSNYOCX-NWDGAFQWSA-N 1 3 227.396 1.434 20 0 BDADHO C[C@@H]1CC[C@H](C)C[N@H+]1CCN1CCNCC1 ZINC000084048035 388070022 /nfs/dbraw/zinc/07/00/22/388070022.db2.gz LQLUBQNFGDQOKT-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CC[C@H](C)C[N@@H+]1CCN1CCNCC1 ZINC000084048035 388070024 /nfs/dbraw/zinc/07/00/24/388070024.db2.gz LQLUBQNFGDQOKT-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CCO[C@@H]1C[C@H](NCC(C)(C)[NH3+])C12CCC2 ZINC000423286858 388070951 /nfs/dbraw/zinc/07/09/51/388070951.db2.gz JDGFZFKOCHIISQ-WDEREUQCSA-N 1 3 226.364 1.661 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000084219916 388075460 /nfs/dbraw/zinc/07/54/60/388075460.db2.gz ABSDZPVOZVRCTE-STQMWFEESA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1cccnc1 ZINC000084219916 388075463 /nfs/dbraw/zinc/07/54/63/388075463.db2.gz ABSDZPVOZVRCTE-STQMWFEESA-N 1 3 219.332 1.341 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H]1CCO[C@@H]1C ZINC000423296695 388078949 /nfs/dbraw/zinc/07/89/49/388078949.db2.gz HJTOTZPKKOTURJ-MXWKQRLJSA-N 1 3 200.326 1.271 20 0 BDADHO CCCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000336661404 388103846 /nfs/dbraw/zinc/10/38/46/388103846.db2.gz JYSYGKRGQFUYRP-RWMBFGLXSA-N 1 3 226.364 1.472 20 0 BDADHO C[N@H+](CCc1cccnc1)CC(C)(C)CN ZINC000086638547 388105953 /nfs/dbraw/zinc/10/59/53/388105953.db2.gz ZNCWFFKKHDJGSP-UHFFFAOYSA-N 1 3 221.348 1.541 20 0 BDADHO C[N@@H+](CCc1cccnc1)CC(C)(C)CN ZINC000086638547 388105957 /nfs/dbraw/zinc/10/59/57/388105957.db2.gz ZNCWFFKKHDJGSP-UHFFFAOYSA-N 1 3 221.348 1.541 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])C(C)C)C12CCC2 ZINC000423269072 388047712 /nfs/dbraw/zinc/04/77/12/388047712.db2.gz GZNIJLJAJLCHPU-RWMBFGLXSA-N 1 3 240.391 1.907 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423272385 388050570 /nfs/dbraw/zinc/05/05/70/388050570.db2.gz HXQPIKGNTORRAS-YNEHKIRRSA-N 1 3 228.380 1.909 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449521617 388223600 /nfs/dbraw/zinc/22/36/00/388223600.db2.gz IZLQCRPEUYXUOL-IGQOVBAYSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449521617 388223603 /nfs/dbraw/zinc/22/36/03/388223603.db2.gz IZLQCRPEUYXUOL-IGQOVBAYSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000449597076 388239394 /nfs/dbraw/zinc/23/93/94/388239394.db2.gz YQEBIFGUYBKMOU-MRBYEJRBSA-N 1 3 249.358 1.174 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCCSC1 ZINC000234264960 388354123 /nfs/dbraw/zinc/35/41/23/388354123.db2.gz SZIVKIOLNKQEHC-NSHDSACASA-N 1 3 232.393 1.050 20 0 BDADHO CCC1(C)CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000572652206 388362946 /nfs/dbraw/zinc/36/29/46/388362946.db2.gz NIDCODPJCNDPKE-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CCC1(C)CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000572652206 388362948 /nfs/dbraw/zinc/36/29/48/388362948.db2.gz NIDCODPJCNDPKE-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)C2CCC2)CC1 ZINC000316230286 388407006 /nfs/dbraw/zinc/40/70/06/388407006.db2.gz SOYHDVKVGBGHKK-AWEZNQCLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCOC1(C)C)CN(C)C ZINC000336901792 388441586 /nfs/dbraw/zinc/44/15/86/388441586.db2.gz SWUKTWPQCDEHED-WDEREUQCSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H](CN[C@@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901792 388441588 /nfs/dbraw/zinc/44/15/88/388441588.db2.gz SWUKTWPQCDEHED-WDEREUQCSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCc2cccnc2)C[C@@H]1CN ZINC000397264849 388455589 /nfs/dbraw/zinc/45/55/89/388455589.db2.gz ISELQNXNDRMBPI-IPYPFGDCSA-N 1 3 247.386 1.929 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCc2cccnc2)C[C@@H]1CN ZINC000397264849 388455591 /nfs/dbraw/zinc/45/55/91/388455591.db2.gz ISELQNXNDRMBPI-IPYPFGDCSA-N 1 3 247.386 1.929 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc2cccnc21 ZINC000336727731 388469952 /nfs/dbraw/zinc/46/99/52/388469952.db2.gz WECQTNCMUPHJBU-LLVKDONJSA-N 1 3 229.327 1.919 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1C[C@H](O)C1(C)C ZINC000166363761 388426764 /nfs/dbraw/zinc/42/67/64/388426764.db2.gz BKOLJGLGUGIYEB-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000166363761 388426766 /nfs/dbraw/zinc/42/67/66/388426766.db2.gz BKOLJGLGUGIYEB-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO Cc1cc(CCN[C@@H]2CCCC[C@H]2C[NH3+])on1 ZINC000573197674 388430963 /nfs/dbraw/zinc/43/09/63/388430963.db2.gz SEBFXEPYONPLHE-WCQYABFASA-N 1 3 237.347 1.633 20 0 BDADHO Cc1cc(CC[NH2+][C@@H]2CCCC[C@H]2CN)on1 ZINC000573197674 388430965 /nfs/dbraw/zinc/43/09/65/388430965.db2.gz SEBFXEPYONPLHE-WCQYABFASA-N 1 3 237.347 1.633 20 0 BDADHO CSC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000517127824 388538531 /nfs/dbraw/zinc/53/85/31/388538531.db2.gz PIEGYJCWUBBEPD-IJLUTSLNSA-N 1 3 246.420 1.173 20 0 BDADHO CSC[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000517127824 388538535 /nfs/dbraw/zinc/53/85/35/388538535.db2.gz PIEGYJCWUBBEPD-IJLUTSLNSA-N 1 3 246.420 1.173 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000397787270 388498637 /nfs/dbraw/zinc/49/86/37/388498637.db2.gz RDUAVVDWTREICH-AVGNSLFASA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@@H]2CCC[NH2+]C2)O1 ZINC000398025398 388514994 /nfs/dbraw/zinc/51/49/94/388514994.db2.gz AEOOEKWGGWYMHC-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H]2CCCNC2)O1 ZINC000398025398 388514997 /nfs/dbraw/zinc/51/49/97/388514997.db2.gz AEOOEKWGGWYMHC-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO [NH3+]Cc1ccc(NC(=O)[C@H]2CCCCCN2)cc1 ZINC000517539695 388552055 /nfs/dbraw/zinc/55/20/55/388552055.db2.gz WPXXLRGHFVPECZ-CYBMUJFWSA-N 1 3 247.342 1.616 20 0 BDADHO CC1CC([NH2+]CCCN2CCCN(C)CC2)C1 ZINC000184346555 388576597 /nfs/dbraw/zinc/57/65/97/388576597.db2.gz NLITWVKHQOGMKS-UHFFFAOYSA-N 1 3 239.407 1.402 20 0 BDADHO CCN(CC)CCC[N@H+](CCO)C(C)C ZINC000191777467 388670334 /nfs/dbraw/zinc/67/03/34/388670334.db2.gz ITIOOBGFKXHKSN-UHFFFAOYSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](CCO)C(C)C ZINC000191777467 388670335 /nfs/dbraw/zinc/67/03/35/388670335.db2.gz ITIOOBGFKXHKSN-UHFFFAOYSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000191816588 388670491 /nfs/dbraw/zinc/67/04/91/388670491.db2.gz QPPZVSCGZFRGRE-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000191816588 388670492 /nfs/dbraw/zinc/67/04/92/388670492.db2.gz QPPZVSCGZFRGRE-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CO[C@@H](C)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000248421417 388678370 /nfs/dbraw/zinc/67/83/70/388678370.db2.gz MGQNXKAREBZZKD-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO CO[C@@H](C)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000248421417 388678372 /nfs/dbraw/zinc/67/83/72/388678372.db2.gz MGQNXKAREBZZKD-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccncc1 ZINC000530218793 388631606 /nfs/dbraw/zinc/63/16/06/388631606.db2.gz HFHWUOGHJOJVLP-RTXFEEFZSA-N 1 3 219.332 1.655 20 0 BDADHO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cn1 ZINC000530221973 388632870 /nfs/dbraw/zinc/63/28/70/388632870.db2.gz QCLVIDDQOSWHOD-STQMWFEESA-N 1 3 249.358 1.350 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000530221973 388632871 /nfs/dbraw/zinc/63/28/71/388632871.db2.gz QCLVIDDQOSWHOD-STQMWFEESA-N 1 3 249.358 1.350 20 0 BDADHO C[C@@H](CNCC(C)(C)[NH3+])c1ccncc1 ZINC000530244533 388639131 /nfs/dbraw/zinc/63/91/31/388639131.db2.gz MBYWXHNDQWTPOO-JTQLQIEISA-N 1 3 207.321 1.512 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000223209171 388649698 /nfs/dbraw/zinc/64/96/98/388649698.db2.gz AJCQAEFGJDTUQY-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000223209171 388649699 /nfs/dbraw/zinc/64/96/99/388649699.db2.gz AJCQAEFGJDTUQY-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000223209171 388649703 /nfs/dbraw/zinc/64/97/03/388649703.db2.gz AJCQAEFGJDTUQY-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)CCN1C ZINC000246806336 388652460 /nfs/dbraw/zinc/65/24/60/388652460.db2.gz AJSCCWPJWGCKSV-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO COC[C@@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224221448 388662165 /nfs/dbraw/zinc/66/21/65/388662165.db2.gz HHTNNGLKCPWQDP-XQQFMLRXSA-N 1 3 228.380 1.922 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000247295808 388662480 /nfs/dbraw/zinc/66/24/80/388662480.db2.gz HQDFXUUXCBIYGB-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000247295808 388662481 /nfs/dbraw/zinc/66/24/81/388662481.db2.gz HQDFXUUXCBIYGB-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO COC[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251015127 388743832 /nfs/dbraw/zinc/74/38/32/388743832.db2.gz WBANXAPLUPMFLU-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO CC[C@@](C)(O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000249387304 388719520 /nfs/dbraw/zinc/71/95/20/388719520.db2.gz QEDCZNFWWCYMOQ-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249777394 388732879 /nfs/dbraw/zinc/73/28/79/388732879.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 1 3 228.380 1.543 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249777394 388732882 /nfs/dbraw/zinc/73/28/82/388732882.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](C)COC)C1 ZINC000249777394 388732885 /nfs/dbraw/zinc/73/28/85/388732885.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)COC)C1 ZINC000249777394 388732888 /nfs/dbraw/zinc/73/28/88/388732888.db2.gz KPRBEUSLXYOFIO-QWHCGFSZSA-N 1 3 228.380 1.543 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000230062694 388811257 /nfs/dbraw/zinc/81/12/57/388811257.db2.gz UXCBOZMQNSOWME-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000230062694 388811262 /nfs/dbraw/zinc/81/12/62/388811262.db2.gz UXCBOZMQNSOWME-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000230062694 388811264 /nfs/dbraw/zinc/81/12/64/388811264.db2.gz UXCBOZMQNSOWME-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000145852618 388775550 /nfs/dbraw/zinc/77/55/50/388775550.db2.gz OSRALWKSSDTCGG-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO CCOCCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988205 388778340 /nfs/dbraw/zinc/77/83/40/388778340.db2.gz IUDIVEWDQBUNEU-RYUDHWBXSA-N 1 3 214.353 1.330 20 0 BDADHO CCOCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228988205 388778343 /nfs/dbraw/zinc/77/83/43/388778343.db2.gz IUDIVEWDQBUNEU-RYUDHWBXSA-N 1 3 214.353 1.330 20 0 BDADHO CCOCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000228988205 388778348 /nfs/dbraw/zinc/77/83/48/388778348.db2.gz IUDIVEWDQBUNEU-RYUDHWBXSA-N 1 3 214.353 1.330 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000129589237 388854510 /nfs/dbraw/zinc/85/45/10/388854510.db2.gz VEIMBFKICSQDQR-OLZOCXBDSA-N 1 3 227.396 1.401 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000152790134 388881962 /nfs/dbraw/zinc/88/19/62/388881962.db2.gz KUMZSUXRKHXCQF-ZIAGYGMSSA-N 1 3 241.423 1.648 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565226408 388927951 /nfs/dbraw/zinc/92/79/51/388927951.db2.gz KUNMWKTYXSPHSW-HZSPNIEDSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000565657007 388960782 /nfs/dbraw/zinc/96/07/82/388960782.db2.gz SLYONAJJKDAUCF-SNVBAGLBSA-N 1 3 247.342 1.147 20 0 BDADHO C[C@H](NCCCc1cccs1)C1C[NH2+]C1 ZINC000566090828 388986735 /nfs/dbraw/zinc/98/67/35/388986735.db2.gz NUVUNVOSSNHDCH-JTQLQIEISA-N 1 3 224.373 1.878 20 0 BDADHO C[C@H]([NH2+]CCCc1cccs1)C1CNC1 ZINC000566090828 388986738 /nfs/dbraw/zinc/98/67/38/388986738.db2.gz NUVUNVOSSNHDCH-JTQLQIEISA-N 1 3 224.373 1.878 20 0 BDADHO C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000334321209 533357911 /nfs/dbraw/zinc/35/79/11/533357911.db2.gz HTIRTGKIYJBANE-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000334321214 533359325 /nfs/dbraw/zinc/35/93/25/533359325.db2.gz HTIRTGKIYJBANE-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@H]1CCSC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257644438 533376502 /nfs/dbraw/zinc/37/65/02/533376502.db2.gz BTVWAHQUGVFTNI-CHWSQXEVSA-N 1 3 240.416 1.815 20 0 BDADHO C([C@H]1CCSC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257644438 533376506 /nfs/dbraw/zinc/37/65/06/533376506.db2.gz BTVWAHQUGVFTNI-CHWSQXEVSA-N 1 3 240.416 1.815 20 0 BDADHO C([C@H]1CCSC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257644439 533377463 /nfs/dbraw/zinc/37/74/63/533377463.db2.gz BTVWAHQUGVFTNI-OLZOCXBDSA-N 1 3 240.416 1.815 20 0 BDADHO C([C@H]1CCSC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257644439 533377467 /nfs/dbraw/zinc/37/74/67/533377467.db2.gz BTVWAHQUGVFTNI-OLZOCXBDSA-N 1 3 240.416 1.815 20 0 BDADHO CCN1CCN(c2cc[nH+]c(C)c2)[C@H](C)C1 ZINC000286224999 132214327 /nfs/dbraw/zinc/21/43/27/132214327.db2.gz DFJDIWYJASTTEU-GFCCVEGCSA-N 1 3 219.332 1.920 20 0 BDADHO Cc1cccc(N2CCN(CCCC[NH3+])CC2)n1 ZINC000037670390 132345153 /nfs/dbraw/zinc/34/51/53/132345153.db2.gz JDOFVAVAIXPWTR-UHFFFAOYSA-N 1 3 248.374 1.251 20 0 BDADHO CC(C)OC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000173744638 134275000 /nfs/dbraw/zinc/27/50/00/134275000.db2.gz FJIIBSPJPYOSFP-GFCCVEGCSA-N 1 3 242.363 1.212 20 0 BDADHO CC(C)OC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000173744638 134275001 /nfs/dbraw/zinc/27/50/01/134275001.db2.gz FJIIBSPJPYOSFP-GFCCVEGCSA-N 1 3 242.363 1.212 20 0 BDADHO C[C@H](CC1CC1)[NH2+]CCOCCN(C)C ZINC000219303411 134281271 /nfs/dbraw/zinc/28/12/71/134281271.db2.gz RDLXWLLSUSMKPT-LLVKDONJSA-N 1 3 214.353 1.343 20 0 BDADHO COCC[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000226331080 134360875 /nfs/dbraw/zinc/36/08/75/134360875.db2.gz CJWZJWKVFHNYDL-QJPTWQEYSA-N 1 3 214.353 1.471 20 0 BDADHO COCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000226331080 134360876 /nfs/dbraw/zinc/36/08/76/134360876.db2.gz CJWZJWKVFHNYDL-QJPTWQEYSA-N 1 3 214.353 1.471 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000227342909 134377932 /nfs/dbraw/zinc/37/79/32/134377932.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000227342909 134377933 /nfs/dbraw/zinc/37/79/33/134377933.db2.gz YEAFRILIHGCUDH-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO Cn1cncc1CNCC1(C)CC[NH+](C)CC1 ZINC000227330099 134378225 /nfs/dbraw/zinc/37/82/25/134378225.db2.gz ORHDSQXDDGXCSA-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO C[C@H](C[NH2+]CC1(C)COC1)CN1CCCCC1 ZINC000227525546 134382651 /nfs/dbraw/zinc/38/26/51/134382651.db2.gz GISKPTJFCMTYDM-CYBMUJFWSA-N 1 3 240.391 1.735 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248409763 135006182 /nfs/dbraw/zinc/00/61/82/135006182.db2.gz CUHKNBTVCKJBTK-AGIUHOORSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248409763 135006184 /nfs/dbraw/zinc/00/61/84/135006184.db2.gz CUHKNBTVCKJBTK-AGIUHOORSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248409763 135006186 /nfs/dbraw/zinc/00/61/86/135006186.db2.gz CUHKNBTVCKJBTK-AGIUHOORSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248409763 135006187 /nfs/dbraw/zinc/00/61/87/135006187.db2.gz CUHKNBTVCKJBTK-AGIUHOORSA-N 1 3 226.364 1.437 20 0 BDADHO CN(C)CCOCC[NH2+]C[C@@H]1CC=CCC1 ZINC000231676794 135025090 /nfs/dbraw/zinc/02/50/90/135025090.db2.gz WYOHEVQFLBHJCL-CYBMUJFWSA-N 1 3 226.364 1.511 20 0 BDADHO OC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979616 135061345 /nfs/dbraw/zinc/06/13/45/135061345.db2.gz BEQLPIWTWJNSJZ-STQMWFEESA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979616 135061347 /nfs/dbraw/zinc/06/13/47/135061347.db2.gz BEQLPIWTWJNSJZ-STQMWFEESA-N 1 3 238.375 1.508 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251117497 135064520 /nfs/dbraw/zinc/06/45/20/135064520.db2.gz VOHKMNDNLRWFMR-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251117497 135064522 /nfs/dbraw/zinc/06/45/22/135064522.db2.gz VOHKMNDNLRWFMR-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251207043 135066205 /nfs/dbraw/zinc/06/62/05/135066205.db2.gz LSFZVQPSOKPXHW-AAVRWANBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000251207043 135066206 /nfs/dbraw/zinc/06/62/06/135066206.db2.gz LSFZVQPSOKPXHW-AAVRWANBSA-N 1 3 240.391 1.658 20 0 BDADHO COC[C@@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000251354938 135068606 /nfs/dbraw/zinc/06/86/06/135068606.db2.gz UEANTOOXDPLGQA-MNOVXSKESA-N 1 3 202.342 1.327 20 0 BDADHO COC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000251357628 135069235 /nfs/dbraw/zinc/06/92/35/135069235.db2.gz UPULBHXGRKMVNR-IHRRRGAJSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000251357628 135069236 /nfs/dbraw/zinc/06/92/36/135069236.db2.gz UPULBHXGRKMVNR-IHRRRGAJSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@](CO)(NCC[NH3+])C1 ZINC000261554514 135109030 /nfs/dbraw/zinc/10/90/30/135109030.db2.gz UIFOQNCPMACZLK-ZYHUDNBSSA-N 1 3 214.353 1.112 20 0 BDADHO C[C@]1(CNC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000087255620 135115909 /nfs/dbraw/zinc/11/59/09/135115909.db2.gz CUXPFDNNXSGJPO-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@]1(C[NH2+]C[C@@H]2CCCNC2)CCCO1 ZINC000087255620 135115911 /nfs/dbraw/zinc/11/59/11/135115911.db2.gz CUXPFDNNXSGJPO-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO Cc1cc(NC[C@H]2CN3CCC[C@H]3CO2)cc[nH+]1 ZINC000252946068 135117282 /nfs/dbraw/zinc/11/72/82/135117282.db2.gz MIOCBLFRQGXEHJ-KBPBESRZSA-N 1 3 247.342 1.665 20 0 BDADHO COCCCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253227180 135124450 /nfs/dbraw/zinc/12/44/50/135124450.db2.gz JRZHALIPDXOQHE-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253227180 135124447 /nfs/dbraw/zinc/12/44/47/135124447.db2.gz JRZHALIPDXOQHE-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253227180 135124448 /nfs/dbraw/zinc/12/44/48/135124448.db2.gz JRZHALIPDXOQHE-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253227179 135125156 /nfs/dbraw/zinc/12/51/56/135125156.db2.gz JRZHALIPDXOQHE-NWDGAFQWSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253227179 135125158 /nfs/dbraw/zinc/12/51/58/135125158.db2.gz JRZHALIPDXOQHE-NWDGAFQWSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253227179 135125160 /nfs/dbraw/zinc/12/51/60/135125160.db2.gz JRZHALIPDXOQHE-NWDGAFQWSA-N 1 3 214.353 1.330 20 0 BDADHO Cc1cccc(CCNCC(C)(C)[NH3+])c1 ZINC000258864980 135135679 /nfs/dbraw/zinc/13/56/79/135135679.db2.gz OQOSDKRUKHIVNW-UHFFFAOYSA-N 1 3 206.333 1.864 20 0 BDADHO Cc1ccncc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257639535 135137491 /nfs/dbraw/zinc/13/74/91/135137491.db2.gz AMJLBDLFKQZWEW-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO Cc1nn(C)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257645712 135137687 /nfs/dbraw/zinc/13/76/87/135137687.db2.gz CBIZXYLXUHYJBU-UHFFFAOYSA-N 1 3 248.374 1.304 20 0 BDADHO C(C1CCOCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669813 135138599 /nfs/dbraw/zinc/13/85/99/135138599.db2.gz IDKFKXPRAGGGPJ-CYBMUJFWSA-N 1 3 224.348 1.098 20 0 BDADHO Cc1noc(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257705550 135140017 /nfs/dbraw/zinc/14/00/17/135140017.db2.gz RFGFTVNJNZCSNA-UHFFFAOYSA-N 1 3 249.358 1.867 20 0 BDADHO C[NH2+]CCCN(C)CC[C@H]1CCCO1 ZINC000087472624 135143417 /nfs/dbraw/zinc/14/34/17/135143417.db2.gz ZCINQJHQCAUOLJ-LLVKDONJSA-N 1 3 200.326 1.097 20 0 BDADHO CCOCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000261528219 135153346 /nfs/dbraw/zinc/15/33/46/135153346.db2.gz KDVILMVLHRONLP-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO CCOCC[NH2+][C@@H]1CCNCC1(C)C ZINC000261528219 135153347 /nfs/dbraw/zinc/15/33/47/135153347.db2.gz KDVILMVLHRONLP-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO CO[C@H]1C[N@H+](CC(C)(C)N)CC[C@H]1C ZINC000261529193 135155218 /nfs/dbraw/zinc/15/52/18/135155218.db2.gz QDZUJMFRRGTMMC-ZJUUUORDSA-N 1 3 200.326 1.081 20 0 BDADHO CO[C@H]1C[N@@H+](CC(C)(C)N)CC[C@H]1C ZINC000261529193 135155219 /nfs/dbraw/zinc/15/52/19/135155219.db2.gz QDZUJMFRRGTMMC-ZJUUUORDSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@H](C)C2)CC[NH2+]1 ZINC000261533658 135164812 /nfs/dbraw/zinc/16/48/12/135164812.db2.gz JLKIDSWYXTVNJX-FDYHWXHSSA-N 1 3 226.364 1.484 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1(C)C ZINC000261533895 135165822 /nfs/dbraw/zinc/16/58/22/135165822.db2.gz KXZGWWQGVJBKRS-NOOOWODRSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534521 135167588 /nfs/dbraw/zinc/16/75/88/135167588.db2.gz RRCUGPKUYSISFA-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC1(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000261534690 135168259 /nfs/dbraw/zinc/16/82/59/135168259.db2.gz MXSSEKWTNDCVIZ-NWDGAFQWSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000261535035 135168759 /nfs/dbraw/zinc/16/87/59/135168759.db2.gz VZHXFYDLZVSCJQ-MROQNXINSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCOC1 ZINC000087783206 135170113 /nfs/dbraw/zinc/17/01/13/135170113.db2.gz NHFLJCWWCBKOCQ-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261536539 135172529 /nfs/dbraw/zinc/17/25/29/135172529.db2.gz SBMKYFRDUKQKNM-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261536539 135172531 /nfs/dbraw/zinc/17/25/31/135172531.db2.gz SBMKYFRDUKQKNM-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261536539 135172532 /nfs/dbraw/zinc/17/25/32/135172532.db2.gz SBMKYFRDUKQKNM-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO Cc1ccccc1C[N@H+]1C[C@H](C)[C@H](N)C1 ZINC000261537051 135172937 /nfs/dbraw/zinc/17/29/37/135172937.db2.gz URKCBNFTZWTUJP-WCQYABFASA-N 1 3 204.317 1.774 20 0 BDADHO Cc1ccccc1C[N@@H+]1C[C@H](C)[C@H](N)C1 ZINC000261537051 135172939 /nfs/dbraw/zinc/17/29/39/135172939.db2.gz URKCBNFTZWTUJP-WCQYABFASA-N 1 3 204.317 1.774 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1(C)C ZINC000261540142 135179245 /nfs/dbraw/zinc/17/92/45/135179245.db2.gz DWJFCBZOYVZYSH-ZDEQEGDKSA-N 1 3 240.391 1.907 20 0 BDADHO Cc1cc(C)cc(CN(C)CCOCC[NH3+])c1 ZINC000261540467 135179379 /nfs/dbraw/zinc/17/93/79/135179379.db2.gz AFXPTZWRIHGUBT-UHFFFAOYSA-N 1 3 236.359 1.711 20 0 BDADHO C[C@H]1CCC[N@H+](CCc2cnn(C)c2)[C@H]1CN ZINC000261541587 135181818 /nfs/dbraw/zinc/18/18/18/135181818.db2.gz KPKNHZKJHLWRBU-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@H]1CN ZINC000261541587 135181819 /nfs/dbraw/zinc/18/18/19/135181819.db2.gz KPKNHZKJHLWRBU-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261542680 135183417 /nfs/dbraw/zinc/18/34/17/135183417.db2.gz HDPYCFWMQMUFLH-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO COCC(C)(C)C[N@@H+]1CCC[C@H](CN)C1 ZINC000261543138 135183757 /nfs/dbraw/zinc/18/37/57/135183757.db2.gz HNEVUVQPIKLQMG-LLVKDONJSA-N 1 3 214.353 1.330 20 0 BDADHO COCC(C)(C)C[N@H+]1CCC[C@H](CN)C1 ZINC000261543138 135183759 /nfs/dbraw/zinc/18/37/59/135183759.db2.gz HNEVUVQPIKLQMG-LLVKDONJSA-N 1 3 214.353 1.330 20 0 BDADHO COCC(C)(C)CN1CCC[C@H](C[NH3+])C1 ZINC000261543138 135183760 /nfs/dbraw/zinc/18/37/60/135183760.db2.gz HNEVUVQPIKLQMG-LLVKDONJSA-N 1 3 214.353 1.330 20 0 BDADHO C[C@H]1CCSCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261544523 135185768 /nfs/dbraw/zinc/18/57/68/135185768.db2.gz IYRKAOYZBPUQBP-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO Cc1cnn(CCN2CCCC[C@H]2CC[NH3+])c1 ZINC000261552900 135192353 /nfs/dbraw/zinc/19/23/53/135192353.db2.gz NLKJCPWDJGAKDO-ZDUSSCGKSA-N 1 3 236.363 1.395 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000084218239 135192781 /nfs/dbraw/zinc/19/27/81/135192781.db2.gz ZJLHCDWDXINTMZ-STQMWFEESA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000084218232 135193279 /nfs/dbraw/zinc/19/32/79/135193279.db2.gz ZJLHCDWDXINTMZ-QWHCGFSZSA-N 1 3 226.364 1.520 20 0 BDADHO COc1ccccc1C[C@H](C)N[C@@H](C)[C@H](C)[NH3+] ZINC000261554156 135193621 /nfs/dbraw/zinc/19/36/21/135193621.db2.gz OOJZAAIZBMCJGN-SRVKXCTJSA-N 1 3 236.359 1.952 20 0 BDADHO C[C@H]1OCCN(CC2CC[NH2+]CC2)[C@H]1C ZINC000261555167 135195475 /nfs/dbraw/zinc/19/54/75/135195475.db2.gz UUNYVOUYWKTEFQ-WDEREUQCSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)([NH3+])CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000261563789 135204978 /nfs/dbraw/zinc/20/49/78/135204978.db2.gz BZUDHPZDXJZWKO-MNOVXSKESA-N 1 3 212.337 1.082 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261567843 135209687 /nfs/dbraw/zinc/20/96/87/135209687.db2.gz ITFFOCLJFVNHRC-ZNMIVQPWSA-N 1 3 245.370 1.949 20 0 BDADHO C[C@H](N)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000261570103 135212402 /nfs/dbraw/zinc/21/24/02/135212402.db2.gz GQCHSTGFNBPLIN-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO C[C@H](N)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000261570103 135212404 /nfs/dbraw/zinc/21/24/04/135212404.db2.gz GQCHSTGFNBPLIN-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261575984 135217724 /nfs/dbraw/zinc/21/77/24/135217724.db2.gz NMHLMKPMEAHNDD-AEGPPILISA-N 1 3 246.354 1.864 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000261583824 135225041 /nfs/dbraw/zinc/22/50/41/135225041.db2.gz PGLWWNBZONPZTA-RTXFEEFZSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@H](c1ccccc1)N(C)CCOCC[NH3+] ZINC000261589055 135230014 /nfs/dbraw/zinc/23/00/14/135230014.db2.gz SWASEGDTZALRMG-GFCCVEGCSA-N 1 3 222.332 1.655 20 0 BDADHO C[N@H+](C[C@H]1CCCC[C@H]1O)CC(C)(C)N ZINC000261589080 135230115 /nfs/dbraw/zinc/23/01/15/135230115.db2.gz SXELNQSYVOZCIK-GHMZBOCLSA-N 1 3 214.353 1.207 20 0 BDADHO C[N@@H+](C[C@H]1CCCC[C@H]1O)CC(C)(C)N ZINC000261589080 135230116 /nfs/dbraw/zinc/23/01/16/135230116.db2.gz SXELNQSYVOZCIK-GHMZBOCLSA-N 1 3 214.353 1.207 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261591082 135231926 /nfs/dbraw/zinc/23/19/26/135231926.db2.gz UYGCTBQJFWYTSU-MROQNXINSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261595226 135234927 /nfs/dbraw/zinc/23/49/27/135234927.db2.gz XYAFZZISIRAAQK-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261595230 135235271 /nfs/dbraw/zinc/23/52/71/135235271.db2.gz XYAFZZISIRAAQK-YVECIDJPSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@]1(C[NH3+])CCN(Cc2cccc(N)c2)C1 ZINC000261609205 135237850 /nfs/dbraw/zinc/23/78/50/135237850.db2.gz BSIBUWAXRRWVIY-CYBMUJFWSA-N 1 3 219.332 1.440 20 0 BDADHO C[C@]1(CN)CC[N@H+](Cc2cccc(N)c2)C1 ZINC000261609205 135237852 /nfs/dbraw/zinc/23/78/52/135237852.db2.gz BSIBUWAXRRWVIY-CYBMUJFWSA-N 1 3 219.332 1.440 20 0 BDADHO C[C@]1(CN)CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000261609205 135237853 /nfs/dbraw/zinc/23/78/53/135237853.db2.gz BSIBUWAXRRWVIY-CYBMUJFWSA-N 1 3 219.332 1.440 20 0 BDADHO CC[C@]1(CO)CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261749218 135249828 /nfs/dbraw/zinc/24/98/28/135249828.db2.gz CBSKYKYCVNPEET-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@]1(CO)CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261749218 135249829 /nfs/dbraw/zinc/24/98/29/135249829.db2.gz CBSKYKYCVNPEET-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@]1(CO)CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261749218 135249830 /nfs/dbraw/zinc/24/98/30/135249830.db2.gz CBSKYKYCVNPEET-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO COC(=O)C(C)(C)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000261831501 135256167 /nfs/dbraw/zinc/25/61/67/135256167.db2.gz JBVKQFVAPFAVNR-QWRGUYRKSA-N 1 3 242.363 1.245 20 0 BDADHO CO[C@@H](C)CN(C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000261975265 135268772 /nfs/dbraw/zinc/26/87/72/135268772.db2.gz IQXHNQIBHBGQPG-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262144621 135281491 /nfs/dbraw/zinc/28/14/91/135281491.db2.gz ZKTXBLNUGNXVJE-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CCCC[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000342601919 135301820 /nfs/dbraw/zinc/30/18/20/135301820.db2.gz YJLOMFNYCZHTGB-NSHDSACASA-N 1 3 241.379 1.010 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000305823738 135358024 /nfs/dbraw/zinc/35/80/24/135358024.db2.gz RRZVZBUWHLZVDN-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000305823738 135358026 /nfs/dbraw/zinc/35/80/26/135358026.db2.gz RRZVZBUWHLZVDN-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000089144635 135530131 /nfs/dbraw/zinc/53/01/31/135530131.db2.gz IKKDIRBXLOCUNF-ZIAGYGMSSA-N 1 3 233.359 1.731 20 0 BDADHO c1cc(C[NH2+][C@H]2CCCOCC2)cc2c1CNC2 ZINC000335057837 135875483 /nfs/dbraw/zinc/87/54/83/135875483.db2.gz DVMWJUKORDSTKL-HNNXBMFYSA-N 1 3 246.354 1.949 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000348152232 136039649 /nfs/dbraw/zinc/03/96/49/136039649.db2.gz BJZBRVIRAMHDRS-KATARQTJSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000348152232 136039650 /nfs/dbraw/zinc/03/96/50/136039650.db2.gz BJZBRVIRAMHDRS-KATARQTJSA-N 1 3 218.291 1.570 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348305175 136065360 /nfs/dbraw/zinc/06/53/60/136065360.db2.gz NXFCULNSBARIEQ-STQMWFEESA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000335394292 136091767 /nfs/dbraw/zinc/09/17/67/136091767.db2.gz GTAOYFJGFKCWQM-NSHDSACASA-N 1 3 212.337 1.082 20 0 BDADHO CC(C)[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000335394292 136091768 /nfs/dbraw/zinc/09/17/68/136091768.db2.gz GTAOYFJGFKCWQM-NSHDSACASA-N 1 3 212.337 1.082 20 0 BDADHO COC1CCC([NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000335595014 136104192 /nfs/dbraw/zinc/10/41/92/136104192.db2.gz MDQWWNCNNPYCPP-RYSNWHEDSA-N 1 3 240.391 1.922 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H](C)CC[NH+](C)C ZINC000348707748 136116703 /nfs/dbraw/zinc/11/67/03/136116703.db2.gz JTPFZOLAUGQRQL-NSHDSACASA-N 1 3 244.379 1.506 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000082594519 397966922 /nfs/dbraw/zinc/96/69/22/397966922.db2.gz GXAVJCHAUOUYQP-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1CC1CCOCC1 ZINC000082594519 397966924 /nfs/dbraw/zinc/96/69/24/397966924.db2.gz GXAVJCHAUOUYQP-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000011891409 397901796 /nfs/dbraw/zinc/90/17/96/397901796.db2.gz HGPKPSAMLUWWOR-AWEZNQCLSA-N 1 3 218.344 1.900 20 0 BDADHO NC[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000011891409 397901798 /nfs/dbraw/zinc/90/17/98/397901798.db2.gz HGPKPSAMLUWWOR-AWEZNQCLSA-N 1 3 218.344 1.900 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCCc2ccccc2)C1 ZINC000011891409 397901799 /nfs/dbraw/zinc/90/17/99/397901799.db2.gz HGPKPSAMLUWWOR-AWEZNQCLSA-N 1 3 218.344 1.900 20 0 BDADHO Cc1nccn1CCCN1CCC(C)([NH3+])CC1 ZINC000647924749 397989729 /nfs/dbraw/zinc/98/97/29/397989729.db2.gz HQMLDQOLYRNWKE-UHFFFAOYSA-N 1 3 236.363 1.395 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC000163665665 398030882 /nfs/dbraw/zinc/03/08/82/398030882.db2.gz MSRUTIOSCBMISJ-LPEHRKFASA-N 1 3 236.281 1.998 20 0 BDADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1ccccc1 ZINC000199980969 398075912 /nfs/dbraw/zinc/07/59/12/398075912.db2.gz IJWHTFRKNCJMNR-NEPJUHHUSA-N 1 3 206.333 1.945 20 0 BDADHO CS[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090725067 398111463 /nfs/dbraw/zinc/11/14/63/398111463.db2.gz NMKKRVILNCXHMV-GRYCIOLGSA-N 1 3 228.405 1.954 20 0 BDADHO CS[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090725067 398111465 /nfs/dbraw/zinc/11/14/65/398111465.db2.gz NMKKRVILNCXHMV-GRYCIOLGSA-N 1 3 228.405 1.954 20 0 BDADHO Cc1ccc(CNC[C@H](C)C[NH3+])c(C)c1 ZINC000258871170 322879133 /nfs/dbraw/zinc/87/91/33/322879133.db2.gz ZUOUWMRCJIKHEY-LLVKDONJSA-N 1 3 206.333 1.988 20 0 BDADHO CC(C)OCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367635166 167243556 /nfs/dbraw/zinc/24/35/56/167243556.db2.gz KOZPTKCVPXWQMP-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367635166 167243558 /nfs/dbraw/zinc/24/35/58/167243558.db2.gz KOZPTKCVPXWQMP-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367635166 167243561 /nfs/dbraw/zinc/24/35/61/167243561.db2.gz KOZPTKCVPXWQMP-BFHYXJOUSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000309583954 167263840 /nfs/dbraw/zinc/26/38/40/167263840.db2.gz RFEQUBJLDLHRQJ-LBPRGKRZSA-N 1 3 226.364 1.651 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CS1 ZINC000086934487 487590835 /nfs/dbraw/zinc/59/08/35/487590835.db2.gz CMIGOCZCIOJUEZ-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@H]1C[C@H](NCCC[NH+]2CCCC2)CS1 ZINC000086934487 487590840 /nfs/dbraw/zinc/59/08/40/487590840.db2.gz CMIGOCZCIOJUEZ-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@@H](CN)C1 ZINC000662265183 409559563 /nfs/dbraw/zinc/55/95/63/409559563.db2.gz GCNLPGQAGFULKP-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO CC1(C)CCCC[C@H]1C[N@H+]1CCO[C@@H](CN)C1 ZINC000662265183 409559569 /nfs/dbraw/zinc/55/95/69/409559569.db2.gz GCNLPGQAGFULKP-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@](C[NH3+])(NCCO[C@@H]1CC1(F)F)C1CC1 ZINC000662246651 409545957 /nfs/dbraw/zinc/54/59/57/409545957.db2.gz ADZXQJRVCBUIOA-ZJUUUORDSA-N 1 3 234.290 1.128 20 0 BDADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H](C)C(C)C ZINC000662255364 409550800 /nfs/dbraw/zinc/55/08/00/409550800.db2.gz YCKLKMIIRRFKMF-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H](C)C(C)C ZINC000662255364 409550806 /nfs/dbraw/zinc/55/08/06/409550806.db2.gz YCKLKMIIRRFKMF-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC2(CCC2)CC1 ZINC000308731115 409903616 /nfs/dbraw/zinc/90/36/16/409903616.db2.gz TUCZSFUACBWLMN-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC2(CCC2)CC1 ZINC000308731115 409903627 /nfs/dbraw/zinc/90/36/27/409903627.db2.gz TUCZSFUACBWLMN-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1CN(C)c2ccccc2CN1CCC[NH3+] ZINC000335253468 487612862 /nfs/dbraw/zinc/61/28/62/487612862.db2.gz VJQVXWKHNWANFY-LBPRGKRZSA-N 1 3 233.359 1.676 20 0 BDADHO CC(C)C[C@H](N)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000650714779 410346793 /nfs/dbraw/zinc/34/67/93/410346793.db2.gz BNXQJFWYKVDETP-JSGCOSHPSA-N 1 3 242.407 1.700 20 0 BDADHO C[C@@H](CO)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000650715199 410350967 /nfs/dbraw/zinc/35/09/67/410350967.db2.gz UBJAKLMEFMSWBX-STQMWFEESA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H](CO)C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000650715199 410350975 /nfs/dbraw/zinc/35/09/75/410350975.db2.gz UBJAKLMEFMSWBX-STQMWFEESA-N 1 3 240.391 1.326 20 0 BDADHO C[C@H]1C[C@H](NCCC2(C[NH3+])CC2)c2nccn21 ZINC000650746828 410387225 /nfs/dbraw/zinc/38/72/25/410387225.db2.gz MAZPUYLYSYSSDY-QWRGUYRKSA-N 1 3 234.347 1.608 20 0 BDADHO C[C@@H]1C[C@H](NCCC2CC[NH2+]CC2)c2nccn21 ZINC000650761835 410410381 /nfs/dbraw/zinc/41/03/81/410410381.db2.gz LNIHSQBSMUKTHS-YPMHNXCESA-N 1 3 248.374 1.868 20 0 BDADHO CCN1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000070087872 410590464 /nfs/dbraw/zinc/59/04/64/410590464.db2.gz WOONOTVNCQYBDL-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCSCC1 ZINC000309259415 410668473 /nfs/dbraw/zinc/66/84/73/410668473.db2.gz OVVBCUKMNMSSOI-GFCCVEGCSA-N 1 3 246.420 1.126 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCSCC1 ZINC000309259415 410668481 /nfs/dbraw/zinc/66/84/81/410668481.db2.gz OVVBCUKMNMSSOI-GFCCVEGCSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2(N)CCCC2)CN1C1CC1 ZINC000665249409 410731996 /nfs/dbraw/zinc/73/19/96/410731996.db2.gz PUCQQAYLHZREKF-NWDGAFQWSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@H]1C[C@@H](NCC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249409 410732000 /nfs/dbraw/zinc/73/20/00/410732000.db2.gz PUCQQAYLHZREKF-NWDGAFQWSA-N 1 3 237.391 1.473 20 0 BDADHO Cc1cncc(CCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665273920 410743014 /nfs/dbraw/zinc/74/30/14/410743014.db2.gz GRLDHPCZWIJJGD-RYUDHWBXSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2CCC[C@H](N)C2)n1 ZINC000665273920 410743020 /nfs/dbraw/zinc/74/30/20/410743020.db2.gz GRLDHPCZWIJJGD-RYUDHWBXSA-N 1 3 234.347 1.187 20 0 BDADHO C[C@H](C1CC1)N(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000393735459 410757210 /nfs/dbraw/zinc/75/72/10/410757210.db2.gz BFOYMYFJJKCXTQ-MNOVXSKESA-N 1 3 208.349 1.859 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H](C)CCCc1cccnc1 ZINC000665297375 410814110 /nfs/dbraw/zinc/81/41/10/410814110.db2.gz DVQLEPDPSPYPTC-STQMWFEESA-N 1 3 235.375 1.990 20 0 BDADHO CC(C)OCCCN(C)CC(C)(C)C[NH3+] ZINC000336741874 167209617 /nfs/dbraw/zinc/20/96/17/167209617.db2.gz NOSSOZISAZJNNB-UHFFFAOYSA-N 1 3 216.369 1.718 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000309282706 410916417 /nfs/dbraw/zinc/91/64/17/410916417.db2.gz UEUZFLJYBRSRHB-RYUDHWBXSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000309282706 410916419 /nfs/dbraw/zinc/91/64/19/410916419.db2.gz UEUZFLJYBRSRHB-RYUDHWBXSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367635167 167244275 /nfs/dbraw/zinc/24/42/75/167244275.db2.gz KOZPTKCVPXWQMP-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367635167 167244277 /nfs/dbraw/zinc/24/42/77/167244277.db2.gz KOZPTKCVPXWQMP-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367635167 167244279 /nfs/dbraw/zinc/24/42/79/167244279.db2.gz KOZPTKCVPXWQMP-MCIONIFRSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OC[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337330528 167265780 /nfs/dbraw/zinc/26/57/80/167265780.db2.gz GNOFIBFUAZROJU-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OC[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337330528 167265782 /nfs/dbraw/zinc/26/57/82/167265782.db2.gz GNOFIBFUAZROJU-STQMWFEESA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425532 411003661 /nfs/dbraw/zinc/00/36/61/411003661.db2.gz GJRWQSGRFXYQMH-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000107786891 411139226 /nfs/dbraw/zinc/13/92/26/411139226.db2.gz ZEELXLCTAUWKDY-VHSXEESVSA-N 1 3 208.305 1.693 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000401136193 411168125 /nfs/dbraw/zinc/16/81/25/411168125.db2.gz QRUOHPOQWSRJBX-GRYCIOLGSA-N 1 3 235.331 1.461 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCCC[C@@H]1CO ZINC000653784010 411170441 /nfs/dbraw/zinc/17/04/41/411170441.db2.gz BMTUADDBSLTIAB-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCCC[C@@H]1CO ZINC000653784010 411170442 /nfs/dbraw/zinc/17/04/42/411170442.db2.gz BMTUADDBSLTIAB-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO C[N@H+](CCCN1CCCC1)[C@H]1COC(C)(C)C1 ZINC000660464387 411172685 /nfs/dbraw/zinc/17/26/85/411172685.db2.gz PAWDSLIAPRWNRR-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO C[N@@H+](CCCN1CCCC1)[C@H]1COC(C)(C)C1 ZINC000660464387 411172687 /nfs/dbraw/zinc/17/26/87/411172687.db2.gz PAWDSLIAPRWNRR-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CN(CCC[NH3+])C(=O)C[C@@H]1NCc2ccccc21 ZINC000659290169 411183012 /nfs/dbraw/zinc/18/30/12/411183012.db2.gz JDKCMYNXTIZHDP-ZDUSSCGKSA-N 1 3 247.342 1.028 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@H]1CCC[NH2+]CC1 ZINC000656193910 411199379 /nfs/dbraw/zinc/19/93/79/411199379.db2.gz YGGPNMFYWXXPOK-OLZOCXBDSA-N 1 3 233.359 1.744 20 0 BDADHO C[C@H](CN[C@@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019005 411200103 /nfs/dbraw/zinc/20/01/03/411200103.db2.gz WAHDMXJENSNGDB-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000656199053 411202068 /nfs/dbraw/zinc/20/20/68/411202068.db2.gz DHBJHRDCXHSDCT-VOAKCMCISA-N 1 3 226.364 1.397 20 0 BDADHO Cc1cnc(CCN[C@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000656199655 411203172 /nfs/dbraw/zinc/20/31/72/411203172.db2.gz ACQOSOHBIYDALO-CHWSQXEVSA-N 1 3 235.375 1.956 20 0 BDADHO Cc1cnc(CC[NH2+][C@H](C)C[C@@H](C)N)c(C)c1 ZINC000656199655 411203173 /nfs/dbraw/zinc/20/31/73/411203173.db2.gz ACQOSOHBIYDALO-CHWSQXEVSA-N 1 3 235.375 1.956 20 0 BDADHO CCN(CC[NH2+][C@H]1CCCCC[C@@H]1N)C1CC1 ZINC000422883706 411233428 /nfs/dbraw/zinc/23/34/28/411233428.db2.gz VKTUNLYJJQJGOE-KBPBESRZSA-N 1 3 239.407 1.720 20 0 BDADHO CC[C@@H]1COCCN1CCCC1CC[NH2+]CC1 ZINC000050952755 411269143 /nfs/dbraw/zinc/26/91/43/411269143.db2.gz AYEQQSFLLOLENG-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1CNC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000401652075 411272729 /nfs/dbraw/zinc/27/27/29/411272729.db2.gz QMEKOWRQBAXDHE-VHDGCEQUSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@@H]1C[C@H](NCCO[C@H]2CC2(F)F)CC[N@@H+]1C ZINC000658170491 411279974 /nfs/dbraw/zinc/27/99/74/411279974.db2.gz SZZCNJCZEMFWQI-MXWKQRLJSA-N 1 3 248.317 1.483 20 0 BDADHO C[C@@H]1C[C@H](NCCO[C@H]2CC2(F)F)CC[N@H+]1C ZINC000658170491 411279978 /nfs/dbraw/zinc/27/99/78/411279978.db2.gz SZZCNJCZEMFWQI-MXWKQRLJSA-N 1 3 248.317 1.483 20 0 BDADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944243 411298716 /nfs/dbraw/zinc/29/87/16/411298716.db2.gz KLRXEEBCBIGMKG-HNNXBMFYSA-N 1 3 246.354 1.920 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944243 411298719 /nfs/dbraw/zinc/29/87/19/411298719.db2.gz KLRXEEBCBIGMKG-HNNXBMFYSA-N 1 3 246.354 1.920 20 0 BDADHO CCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228471000 411302351 /nfs/dbraw/zinc/30/23/51/411302351.db2.gz DPBFKFOMSOCFDY-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1cc(C)cc(OCCN2CC[C@@H](C[NH3+])C2)c1 ZINC000050247462 411255698 /nfs/dbraw/zinc/25/56/98/411255698.db2.gz UHIUEDQBGGEEHU-AWEZNQCLSA-N 1 3 248.370 1.963 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788061 411366948 /nfs/dbraw/zinc/36/69/48/411366948.db2.gz OJCXSGNNDNFXIM-MCIONIFRSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788061 411366951 /nfs/dbraw/zinc/36/69/51/411366951.db2.gz OJCXSGNNDNFXIM-MCIONIFRSA-N 1 3 240.391 1.718 20 0 BDADHO Cc1cnccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000129720242 411378046 /nfs/dbraw/zinc/37/80/46/411378046.db2.gz CBUATVDLMMHOCK-STQMWFEESA-N 1 3 219.332 1.750 20 0 BDADHO C[C@@H]1CCCN(CCn2cccn2)[C@H]1CC[NH3+] ZINC000404384481 411392155 /nfs/dbraw/zinc/39/21/55/411392155.db2.gz NQLORVYCEKHICK-OLZOCXBDSA-N 1 3 236.363 1.332 20 0 BDADHO C[C@H]1CN(CCOCC[NH3+])CCc2ccccc21 ZINC000404843263 411409614 /nfs/dbraw/zinc/40/96/14/411409614.db2.gz CMIALSDOLWRBFL-ZDUSSCGKSA-N 1 3 248.370 1.624 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC2(CC2)CC1 ZINC000653593573 411426685 /nfs/dbraw/zinc/42/66/85/411426685.db2.gz GAKVCCUTEQSPCU-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC2(CC2)CC1 ZINC000653593573 411426686 /nfs/dbraw/zinc/42/66/86/411426686.db2.gz GAKVCCUTEQSPCU-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CNCc1ccccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000122746424 411435141 /nfs/dbraw/zinc/43/51/41/411435141.db2.gz XUZOXCXSFXHVLI-GFCCVEGCSA-N 1 3 247.342 1.487 20 0 BDADHO c1cc2c(c(CNCC[C@H]3CC[NH2+]C3)c1)OCO2 ZINC000414824148 411446549 /nfs/dbraw/zinc/44/65/49/411446549.db2.gz AIBNXHOWSUUSFR-LLVKDONJSA-N 1 3 248.326 1.505 20 0 BDADHO C[C@@H]1C[C@H](N2CCC([NH+](C)C)CC2)CCO1 ZINC000659837595 411470330 /nfs/dbraw/zinc/47/03/30/411470330.db2.gz GMCVBKXNTGSBQL-DGCLKSJQSA-N 1 3 226.364 1.580 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCOC1)C2 ZINC000309474481 411497168 /nfs/dbraw/zinc/49/71/68/411497168.db2.gz UZVPBOPDRGVRCP-AVGNSLFASA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCOC1)C2 ZINC000309474481 411497171 /nfs/dbraw/zinc/49/71/71/411497171.db2.gz UZVPBOPDRGVRCP-AVGNSLFASA-N 1 3 224.348 1.084 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CO[C@@H](CC)C2)C1 ZINC000657327165 411466309 /nfs/dbraw/zinc/46/63/09/411466309.db2.gz ZCOLYUNJPWJDSC-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2CO[C@@H](CC)C2)C1 ZINC000657327165 411466313 /nfs/dbraw/zinc/46/63/13/411466313.db2.gz ZCOLYUNJPWJDSC-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CO[C@@H](CC)C2)C1 ZINC000657327165 411466314 /nfs/dbraw/zinc/46/63/14/411466314.db2.gz ZCOLYUNJPWJDSC-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588212 170010757 /nfs/dbraw/zinc/01/07/57/170010757.db2.gz PHZLQACNPGKFEQ-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCN2CCC2)[C@H](C)C1 ZINC000336780567 170013144 /nfs/dbraw/zinc/01/31/44/170013144.db2.gz RRDFKSKEYDERBU-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCN2CCC2)[C@H](C)C1 ZINC000336780567 170013145 /nfs/dbraw/zinc/01/31/45/170013145.db2.gz RRDFKSKEYDERBU-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CCN1CC[C@@H]([NH2+]Cc2c[nH]nc2C)[C@H](C)C1 ZINC000358168934 170013399 /nfs/dbraw/zinc/01/33/99/170013399.db2.gz OIIOLGDOIKBMCO-ZWNOBZJWSA-N 1 3 236.363 1.538 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000300921366 170016128 /nfs/dbraw/zinc/01/61/28/170016128.db2.gz DWMRCSBSGGDQPJ-NWDGAFQWSA-N 1 3 228.380 1.731 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000356855248 170017428 /nfs/dbraw/zinc/01/74/28/170017428.db2.gz UZYCBNVVYWJZDO-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCSC2)C1 ZINC000061588211 170017479 /nfs/dbraw/zinc/01/74/79/170017479.db2.gz PHZLQACNPGKFEQ-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO CC[NH2+]CC1CCN(CCn2cccn2)CC1 ZINC000053659129 170111957 /nfs/dbraw/zinc/11/19/57/170111957.db2.gz GDJGRNPEDZQPDV-UHFFFAOYSA-N 1 3 236.363 1.205 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657611179 411563399 /nfs/dbraw/zinc/56/33/99/411563399.db2.gz KSEZDVZKHZGETA-FQUUOJAGSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657611179 411563400 /nfs/dbraw/zinc/56/34/00/411563400.db2.gz KSEZDVZKHZGETA-FQUUOJAGSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000124777029 170329710 /nfs/dbraw/zinc/32/97/10/170329710.db2.gz KSEZDVZKHZGETA-NELGMTEASA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000124777029 170329712 /nfs/dbraw/zinc/32/97/12/170329712.db2.gz KSEZDVZKHZGETA-NELGMTEASA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000040690188 170332152 /nfs/dbraw/zinc/33/21/52/170332152.db2.gz BSYWNUGLBPULPW-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CCOC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000040690188 170332154 /nfs/dbraw/zinc/33/21/54/170332154.db2.gz BSYWNUGLBPULPW-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO c1c[nH]c(CNCC2CC[NH+](CC3CC3)CC2)n1 ZINC000657812109 411603634 /nfs/dbraw/zinc/60/36/34/411603634.db2.gz LDGSJBCOLRLFOE-UHFFFAOYSA-N 1 3 248.374 1.621 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000657843461 411610272 /nfs/dbraw/zinc/61/02/72/411610272.db2.gz ZCRGDJXCLORUNG-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CO)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665950 411615994 /nfs/dbraw/zinc/61/59/94/411615994.db2.gz ZZLZRAKPOPAFMK-QWHCGFSZSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@H](CO)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665950 411615995 /nfs/dbraw/zinc/61/59/95/411615995.db2.gz ZZLZRAKPOPAFMK-QWHCGFSZSA-N 1 3 226.364 1.033 20 0 BDADHO Cc1c[nH+]ccc1NCCCN1CCC(O)CC1 ZINC000663403652 411648753 /nfs/dbraw/zinc/64/87/53/411648753.db2.gz XPNQTBLONIKOIO-UHFFFAOYSA-N 1 3 249.358 1.071 20 0 BDADHO C[C@@H](CCC1CC1)[NH2+]CC12CC(C1)CN2 ZINC000663498338 411681153 /nfs/dbraw/zinc/68/11/53/411681153.db2.gz OYFWZXNYMWETPZ-PKSQDBQZSA-N 1 3 208.349 1.907 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661831614 411894758 /nfs/dbraw/zinc/89/47/58/411894758.db2.gz PNQNALSADURFHQ-AGIUHOORSA-N 1 3 238.375 1.364 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1C[C@H](O)C12CCC2 ZINC000661831614 411894761 /nfs/dbraw/zinc/89/47/61/411894761.db2.gz PNQNALSADURFHQ-AGIUHOORSA-N 1 3 238.375 1.364 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@H](O)C12CCC2 ZINC000661831614 411894765 /nfs/dbraw/zinc/89/47/65/411894765.db2.gz PNQNALSADURFHQ-AGIUHOORSA-N 1 3 238.375 1.364 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC2(COC2)C1 ZINC000662076014 411976664 /nfs/dbraw/zinc/97/66/64/411976664.db2.gz QLLMWQJVPQOQJO-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC2(COC2)C1 ZINC000662076014 411976669 /nfs/dbraw/zinc/97/66/69/411976669.db2.gz QLLMWQJVPQOQJO-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO [NH3+]CC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000662234212 412032884 /nfs/dbraw/zinc/03/28/84/412032884.db2.gz JXNKVONVDKCVNG-JTQLQIEISA-N 1 3 234.290 1.081 20 0 BDADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](N)C1 ZINC000662241033 412037398 /nfs/dbraw/zinc/03/73/98/412037398.db2.gz PMVYBKUMMIJAGJ-RKDXNWHRSA-N 1 3 206.280 1.701 20 0 BDADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](N)C1 ZINC000662241033 412037399 /nfs/dbraw/zinc/03/73/99/412037399.db2.gz PMVYBKUMMIJAGJ-RKDXNWHRSA-N 1 3 206.280 1.701 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662249627 412045840 /nfs/dbraw/zinc/04/58/40/412045840.db2.gz QQRSDXLLEWVGCF-FRRDWIJNSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662249627 412045843 /nfs/dbraw/zinc/04/58/43/412045843.db2.gz QQRSDXLLEWVGCF-FRRDWIJNSA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)C[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248632 412047657 /nfs/dbraw/zinc/04/76/57/412047657.db2.gz IGPWQKUZEFPENI-LLVKDONJSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)C[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662248632 412047658 /nfs/dbraw/zinc/04/76/58/412047658.db2.gz IGPWQKUZEFPENI-LLVKDONJSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)[N@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662252203 412049030 /nfs/dbraw/zinc/04/90/30/412049030.db2.gz MEJSNLKBUQWVDL-CYBMUJFWSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)[N@@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662252203 412049031 /nfs/dbraw/zinc/04/90/31/412049031.db2.gz MEJSNLKBUQWVDL-CYBMUJFWSA-N 1 3 238.375 1.628 20 0 BDADHO CCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662253771 412049538 /nfs/dbraw/zinc/04/95/38/412049538.db2.gz WKOGKBXIGXSZJD-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO C[NH2+]CCC1CCN(Cc2conc2C)CC1 ZINC000662265937 412058203 /nfs/dbraw/zinc/05/82/03/412058203.db2.gz UPMAEZHHMBBILA-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO CC(C)=CCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662272892 412066290 /nfs/dbraw/zinc/06/62/90/412066290.db2.gz KFYMGSMIUMRETI-AWEZNQCLSA-N 1 3 237.391 1.322 20 0 BDADHO CC[C@@H]1C[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000359463402 171130686 /nfs/dbraw/zinc/13/06/86/171130686.db2.gz ZGVJIBLVZMDXFN-AAVRWANBSA-N 1 3 238.375 1.343 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H](C)[C@@H](CN)C1)C1CCC1 ZINC000662280830 412071488 /nfs/dbraw/zinc/07/14/88/412071488.db2.gz GECCOVXTEAQBCX-FPMFFAJLSA-N 1 3 240.391 1.718 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H](C)[C@@H](CN)C1)C1CCC1 ZINC000662280830 412071490 /nfs/dbraw/zinc/07/14/90/412071490.db2.gz GECCOVXTEAQBCX-FPMFFAJLSA-N 1 3 240.391 1.718 20 0 BDADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662282242 412071910 /nfs/dbraw/zinc/07/19/10/412071910.db2.gz OAWPCGJAIZOSFB-YNEHKIRRSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662282242 412071912 /nfs/dbraw/zinc/07/19/12/412071912.db2.gz OAWPCGJAIZOSFB-YNEHKIRRSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)N(C)C ZINC000126396093 171229576 /nfs/dbraw/zinc/22/95/76/171229576.db2.gz PPPCXGGHYXPDPF-NWDGAFQWSA-N 1 3 243.395 1.173 20 0 BDADHO COCC[NH2+]C1CCN(CC2CC=CC2)CC1 ZINC000662283650 412074793 /nfs/dbraw/zinc/07/47/93/412074793.db2.gz CIWFRSXRPHKLLD-UHFFFAOYSA-N 1 3 238.375 1.653 20 0 BDADHO Cn1cncc1CCC[NH2+][C@@H]1CCCC[C@H]1N ZINC000662283957 412075169 /nfs/dbraw/zinc/07/51/69/412075169.db2.gz RXJMJDWVZHVTDB-CHWSQXEVSA-N 1 3 236.363 1.212 20 0 BDADHO C[N@H+](CC[C@@H]1CCCCO1)CC(C)(C)N ZINC000662296167 412083409 /nfs/dbraw/zinc/08/34/09/412083409.db2.gz XDRKKOHQDIEDAL-NSHDSACASA-N 1 3 214.353 1.615 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCCO1)CC(C)(C)N ZINC000662296167 412083413 /nfs/dbraw/zinc/08/34/13/412083413.db2.gz XDRKKOHQDIEDAL-NSHDSACASA-N 1 3 214.353 1.615 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000226396665 171306305 /nfs/dbraw/zinc/30/63/05/171306305.db2.gz OYQRCCYSGFBSEF-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000226396665 171306307 /nfs/dbraw/zinc/30/63/07/171306307.db2.gz OYQRCCYSGFBSEF-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662287128 412080469 /nfs/dbraw/zinc/08/04/69/412080469.db2.gz WHMWFLTZSVWXMM-SNVBAGLBSA-N 1 3 212.337 1.238 20 0 BDADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662287128 412080473 /nfs/dbraw/zinc/08/04/73/412080473.db2.gz WHMWFLTZSVWXMM-SNVBAGLBSA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)OC ZINC000362978262 171393139 /nfs/dbraw/zinc/39/31/39/171393139.db2.gz YMLQHEXXNIYWJP-RVMXOQNASA-N 1 3 228.380 1.765 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H](C)[C@H]1CCO ZINC000662303110 412087053 /nfs/dbraw/zinc/08/70/53/412087053.db2.gz SPXMLBWJDPVAKO-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000662303110 412087056 /nfs/dbraw/zinc/08/70/56/412087056.db2.gz SPXMLBWJDPVAKO-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000662303110 412087059 /nfs/dbraw/zinc/08/70/59/412087059.db2.gz SPXMLBWJDPVAKO-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662331617 412104917 /nfs/dbraw/zinc/10/49/17/412104917.db2.gz OIWXLXVEWLWTNK-RYUDHWBXSA-N 1 3 238.375 1.485 20 0 BDADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662331617 412104921 /nfs/dbraw/zinc/10/49/21/412104921.db2.gz OIWXLXVEWLWTNK-RYUDHWBXSA-N 1 3 238.375 1.485 20 0 BDADHO Cc1ccncc1CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000665238934 412180912 /nfs/dbraw/zinc/18/09/12/412180912.db2.gz HVXJERDIVZNXPF-ZFWWWQNUSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000665238934 412180918 /nfs/dbraw/zinc/18/09/18/412180918.db2.gz HVXJERDIVZNXPF-ZFWWWQNUSA-N 1 3 247.386 1.910 20 0 BDADHO CC[C@@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000665261696 412203290 /nfs/dbraw/zinc/20/32/90/412203290.db2.gz JTRKXFCBQDCIAT-MXWKQRLJSA-N 1 3 200.326 1.007 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665262169 412205959 /nfs/dbraw/zinc/20/59/59/412205959.db2.gz VTIFRUBFSBJSOY-YVECIDJPSA-N 1 3 226.364 1.268 20 0 BDADHO CC[C@@H]([NH2+]C)C(=O)Nc1cccc2c1CCNC2 ZINC000662416101 412158393 /nfs/dbraw/zinc/15/83/93/412158393.db2.gz SXOMRVHQZDRHSQ-GFCCVEGCSA-N 1 3 247.342 1.269 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)c1ccccn1 ZINC000665231903 412169603 /nfs/dbraw/zinc/16/96/03/412169603.db2.gz APUVOTJWJCCMNE-GRYCIOLGSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](C)c1ccccn1 ZINC000665231903 412169607 /nfs/dbraw/zinc/16/96/07/412169607.db2.gz APUVOTJWJCCMNE-GRYCIOLGSA-N 1 3 221.348 1.901 20 0 BDADHO Cc1cncc(CCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665273919 412216245 /nfs/dbraw/zinc/21/62/45/412216245.db2.gz GRLDHPCZWIJJGD-NWDGAFQWSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2CCC[C@H](N)C2)n1 ZINC000665273919 412216247 /nfs/dbraw/zinc/21/62/47/412216247.db2.gz GRLDHPCZWIJJGD-NWDGAFQWSA-N 1 3 234.347 1.187 20 0 BDADHO CCCN1CC[C@@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665274609 412216958 /nfs/dbraw/zinc/21/69/58/412216958.db2.gz UKMZCXYTGMCUMS-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO CCCN1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000665274380 412217606 /nfs/dbraw/zinc/21/76/06/412217606.db2.gz PAEQJILZUDEYCT-AVGNSLFASA-N 1 3 225.380 1.058 20 0 BDADHO CO[C@@H](CN[C@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275525 412218627 /nfs/dbraw/zinc/21/86/27/412218627.db2.gz MJOYAWJSWIAWCJ-MFKMUULPSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@@H](C[NH2+][C@H](C)C1CNC1)C1CCCC1 ZINC000665275525 412218631 /nfs/dbraw/zinc/21/86/31/412218631.db2.gz MJOYAWJSWIAWCJ-MFKMUULPSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@@H](CN[C@@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275523 412219350 /nfs/dbraw/zinc/21/93/50/412219350.db2.gz MJOYAWJSWIAWCJ-GWCFXTLKSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@@H](C[NH2+][C@@H](C)C1CNC1)C1CCCC1 ZINC000665275523 412219354 /nfs/dbraw/zinc/21/93/54/412219354.db2.gz MJOYAWJSWIAWCJ-GWCFXTLKSA-N 1 3 226.364 1.389 20 0 BDADHO C([NH2+][C@@H](C1CC1)C1CCC1)C12CC(C1)CN2 ZINC000665280070 412225070 /nfs/dbraw/zinc/22/50/70/412225070.db2.gz SFGPJYLKUTWHKU-IWXRYERYSA-N 1 3 220.360 1.907 20 0 BDADHO C(N[C@@H](C1CC1)C1CCC1)C12CC(C1)C[NH2+]2 ZINC000665280070 412225073 /nfs/dbraw/zinc/22/50/73/412225073.db2.gz SFGPJYLKUTWHKU-IWXRYERYSA-N 1 3 220.360 1.907 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000665281166 412226850 /nfs/dbraw/zinc/22/68/50/412226850.db2.gz WJQAOYJUSJIAGU-SGMGOOAPSA-N 1 3 239.407 1.575 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000665282166 412227776 /nfs/dbraw/zinc/22/77/76/412227776.db2.gz SCABOLDPWVCIBK-TUAOUCFPSA-N 1 3 214.353 1.374 20 0 BDADHO COc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1C ZINC000665294926 412241632 /nfs/dbraw/zinc/24/16/32/412241632.db2.gz YTDUYKJQNXOULG-OLZOCXBDSA-N 1 3 234.343 1.973 20 0 BDADHO NC1(C(=O)NCC2([NH3+])CCCC2)CCCCC1 ZINC000662865615 412329147 /nfs/dbraw/zinc/32/91/47/412329147.db2.gz XZGQKBMMMCMCPI-UHFFFAOYSA-N 1 3 239.363 1.036 20 0 BDADHO CCn1cc([C@@H](C)[NH2+][C@H](C)CCN(C)C)cn1 ZINC000044500616 172195048 /nfs/dbraw/zinc/19/50/48/172195048.db2.gz BOPNHTQQCWPNCK-VXGBXAGGSA-N 1 3 238.379 1.894 20 0 BDADHO CCn1cc([C@H](C)[NH2+][C@@H](C)CCN(C)C)cn1 ZINC000044500614 172197598 /nfs/dbraw/zinc/19/75/98/172197598.db2.gz BOPNHTQQCWPNCK-RYUDHWBXSA-N 1 3 238.379 1.894 20 0 BDADHO CCn1nccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000160235175 172265729 /nfs/dbraw/zinc/26/57/29/172265729.db2.gz OGCLUBCJDARIRU-GFCCVEGCSA-N 1 3 236.363 1.464 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](CO)CC1 ZINC000339750625 173027222 /nfs/dbraw/zinc/02/72/22/173027222.db2.gz OIRKECHBJWMBGP-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](CO)CC1 ZINC000339750625 173027223 /nfs/dbraw/zinc/02/72/23/173027223.db2.gz OIRKECHBJWMBGP-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591000 173053894 /nfs/dbraw/zinc/05/38/94/173053894.db2.gz WZFICYAFDFFQHX-UONOGXRCSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591000 173053896 /nfs/dbraw/zinc/05/38/96/173053896.db2.gz WZFICYAFDFFQHX-UONOGXRCSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CC[C@H](CNC(N)=[NH2+])[C@@H]1c1cccs1 ZINC000361940763 173145365 /nfs/dbraw/zinc/14/53/65/173145365.db2.gz CFRBOCYRDOHLNZ-PSASIEDQSA-N 1 3 238.360 1.224 20 0 BDADHO CN1CC[C@H](CNC(N)=[NH2+])[C@H]1c1cccs1 ZINC000361940764 173145653 /nfs/dbraw/zinc/14/56/53/173145653.db2.gz CFRBOCYRDOHLNZ-SCZZXKLOSA-N 1 3 238.360 1.224 20 0 BDADHO C[N@@H+]1CC[C@H](NCCn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353391232 173153554 /nfs/dbraw/zinc/15/35/54/173153554.db2.gz BILIBESGWFOOQJ-IHRRRGAJSA-N 1 3 248.374 1.346 20 0 BDADHO C[N@H+]1CC[C@H](NCCn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353391232 173153555 /nfs/dbraw/zinc/15/35/55/173153555.db2.gz BILIBESGWFOOQJ-IHRRRGAJSA-N 1 3 248.374 1.346 20 0 BDADHO Cn1cc(C[NH2+][C@H]2CCN(C)[C@H]3CCC[C@@H]32)cn1 ZINC000353401925 173155280 /nfs/dbraw/zinc/15/52/80/173155280.db2.gz IYQCVPNVWZMWSP-RDBSUJKOSA-N 1 3 248.374 1.383 20 0 BDADHO C[NH2+]CC1CCN(CCOc2ccccc2)CC1 ZINC000011889283 173338742 /nfs/dbraw/zinc/33/87/42/173338742.db2.gz JHXIHXVQZJCODF-UHFFFAOYSA-N 1 3 248.370 1.997 20 0 BDADHO C[NH2+]CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000043605851 173341679 /nfs/dbraw/zinc/34/16/79/173341679.db2.gz CMGUGCJOELRBER-CYBMUJFWSA-N 1 3 249.358 1.015 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000295257319 173375275 /nfs/dbraw/zinc/37/52/75/173375275.db2.gz UURVLRFLMVTMED-JTQLQIEISA-N 1 3 247.342 1.126 20 0 BDADHO CNCc1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000296407527 173389641 /nfs/dbraw/zinc/38/96/41/173389641.db2.gz LXSMNLUDUHTZPC-JTQLQIEISA-N 1 3 235.331 1.472 20 0 BDADHO COCCCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000336748613 174178627 /nfs/dbraw/zinc/17/86/27/174178627.db2.gz SUMCVFDPNMFZJJ-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000336748613 174178625 /nfs/dbraw/zinc/17/86/25/174178625.db2.gz SUMCVFDPNMFZJJ-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336706738 174233057 /nfs/dbraw/zinc/23/30/57/174233057.db2.gz OGWOTPVEKXUZQY-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO COCCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336706738 174233058 /nfs/dbraw/zinc/23/30/58/174233058.db2.gz OGWOTPVEKXUZQY-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO COCCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599842 174234496 /nfs/dbraw/zinc/23/44/96/174234496.db2.gz GRXZOJHLEXZNLE-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO COCCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369599842 174234499 /nfs/dbraw/zinc/23/44/99/174234499.db2.gz GRXZOJHLEXZNLE-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO COCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127768845 174250727 /nfs/dbraw/zinc/25/07/27/174250727.db2.gz BEFOBKPGNYDWAI-VXGBXAGGSA-N 1 3 212.337 1.239 20 0 BDADHO COCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127768845 174250730 /nfs/dbraw/zinc/25/07/30/174250730.db2.gz BEFOBKPGNYDWAI-VXGBXAGGSA-N 1 3 212.337 1.239 20 0 BDADHO COCC[C@@H](C)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352534989 174378915 /nfs/dbraw/zinc/37/89/15/174378915.db2.gz KXQJBTXWDOJBHO-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO COc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000193617897 175261456 /nfs/dbraw/zinc/26/14/56/175261456.db2.gz IRJBLXZZIDBSGM-OKILXGFUSA-N 1 3 246.354 1.689 20 0 BDADHO COc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000193617897 175261457 /nfs/dbraw/zinc/26/14/57/175261457.db2.gz IRJBLXZZIDBSGM-OKILXGFUSA-N 1 3 246.354 1.689 20 0 BDADHO COc1cccc([C@@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000309396977 175286521 /nfs/dbraw/zinc/28/65/21/175286521.db2.gz UQCKTLZEAJDSHV-WDEREUQCSA-N 1 3 222.332 1.941 20 0 BDADHO COc1ccccc1CN(C)CCCC[NH3+] ZINC000042441502 175324905 /nfs/dbraw/zinc/32/49/05/175324905.db2.gz DBPBXRIQILWFMB-UHFFFAOYSA-N 1 3 222.332 1.866 20 0 BDADHO C[C@@H](c1ccccn1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000122358797 176028379 /nfs/dbraw/zinc/02/83/79/176028379.db2.gz PXIDIYDVKJNIQW-GRYCIOLGSA-N 1 3 219.332 1.812 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1C ZINC000221708586 176173002 /nfs/dbraw/zinc/17/30/02/176173002.db2.gz LIIJGHWEHZTNSE-AGIUHOORSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000309750769 176232944 /nfs/dbraw/zinc/23/29/44/176232944.db2.gz GPZUJKFRPLYJHF-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC(C)(C)CN(C)C ZINC000359364970 176268577 /nfs/dbraw/zinc/26/85/77/176268577.db2.gz PFZHDVRYURFJLX-CHWSQXEVSA-N 1 3 241.423 1.504 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCN1CCCC1 ZINC000036908131 176278962 /nfs/dbraw/zinc/27/89/62/176278962.db2.gz ZNSVSRMSNJOANO-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCN1CCCC1 ZINC000036908131 176278963 /nfs/dbraw/zinc/27/89/63/176278963.db2.gz ZNSVSRMSNJOANO-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCN1CCCC1 ZINC000036908131 176278965 /nfs/dbraw/zinc/27/89/65/176278965.db2.gz ZNSVSRMSNJOANO-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)N1C ZINC000336895412 176293033 /nfs/dbraw/zinc/29/30/33/176293033.db2.gz YTMXSEOBRQHTEK-MCIONIFRSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)N1C ZINC000336895412 176293035 /nfs/dbraw/zinc/29/30/35/176293035.db2.gz YTMXSEOBRQHTEK-MCIONIFRSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000351796733 176294277 /nfs/dbraw/zinc/29/42/77/176294277.db2.gz XTCZTOKQNDFKMQ-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000351796733 176294278 /nfs/dbraw/zinc/29/42/78/176294278.db2.gz XTCZTOKQNDFKMQ-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1COCCN1CC[C@H]1CCC[NH2+]C1 ZINC000251605527 176336068 /nfs/dbraw/zinc/33/60/68/176336068.db2.gz DGLNBRMGYRDOSQ-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CSC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000336773822 176355148 /nfs/dbraw/zinc/35/51/48/176355148.db2.gz ZFRSRHNHIQRAAK-IJLUTSLNSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCCCF ZINC000308506262 176367939 /nfs/dbraw/zinc/36/79/39/176367939.db2.gz YZNINTOJZAPXET-MNOVXSKESA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCCCF ZINC000308506262 176367940 /nfs/dbraw/zinc/36/79/40/176367940.db2.gz YZNINTOJZAPXET-MNOVXSKESA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000226836490 176867887 /nfs/dbraw/zinc/86/78/87/176867887.db2.gz TZMGSMIXXJDWHF-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@@H]1CCCO1 ZINC000226836490 176867888 /nfs/dbraw/zinc/86/78/88/176867888.db2.gz TZMGSMIXXJDWHF-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1C[C@H](NCCCC[NH+](C)C)c2nccn21 ZINC000345364584 177369055 /nfs/dbraw/zinc/36/90/55/177369055.db2.gz XTBTYIRRKSQQEO-RYUDHWBXSA-N 1 3 236.363 1.820 20 0 BDADHO C[C@H](N[C@@H](CCO)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400704976 226349973 /nfs/dbraw/zinc/34/99/73/226349973.db2.gz KRTRCZFLRYNUHE-SRVKXCTJSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H]1CN(CCCc2cncn2C)CC[C@@H]1[NH3+] ZINC000314012295 487656798 /nfs/dbraw/zinc/65/67/98/487656798.db2.gz NVYKCWYPSUMGSX-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO COC[C@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335832501 487667697 /nfs/dbraw/zinc/66/76/97/487667697.db2.gz CRMNAGBCQDUXIO-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335832501 487667698 /nfs/dbraw/zinc/66/76/98/487667698.db2.gz CRMNAGBCQDUXIO-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335832501 487667699 /nfs/dbraw/zinc/66/76/99/487667699.db2.gz CRMNAGBCQDUXIO-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCCCO1 ZINC000082594395 487687142 /nfs/dbraw/zinc/68/71/42/487687142.db2.gz CODWDSUDFZCFFS-STQMWFEESA-N 1 3 226.364 1.759 20 0 BDADHO Cc1cncc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228622836 487696495 /nfs/dbraw/zinc/69/64/95/487696495.db2.gz YHTRSBVMKSCJRN-RRFJBIMHSA-N 1 3 245.370 1.949 20 0 BDADHO FCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000088026319 487699586 /nfs/dbraw/zinc/69/95/86/487699586.db2.gz SOPUWIHJXOQWAU-NWDGAFQWSA-N 1 3 214.328 1.810 20 0 BDADHO C[C@@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C1CC1 ZINC000226399048 487734094 /nfs/dbraw/zinc/73/40/94/487734094.db2.gz JMYKYLXMUVLOEL-JTQLQIEISA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C1CC1 ZINC000226399055 487734838 /nfs/dbraw/zinc/73/48/38/487734838.db2.gz JMYKYLXMUVLOEL-SNVBAGLBSA-N 1 3 241.379 1.103 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000233794517 487743242 /nfs/dbraw/zinc/74/32/42/487743242.db2.gz FGUCJAKYVZFUQI-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNCC2)C1(C)C ZINC000233794517 487743247 /nfs/dbraw/zinc/74/32/47/487743247.db2.gz FGUCJAKYVZFUQI-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO CC[N@H+](C[C@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226436246 487745511 /nfs/dbraw/zinc/74/55/11/487745511.db2.gz QWJFMBDKMPTJQX-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CC[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226436246 487745515 /nfs/dbraw/zinc/74/55/15/487745515.db2.gz QWJFMBDKMPTJQX-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000250999035 487745336 /nfs/dbraw/zinc/74/53/36/487745336.db2.gz DHBJHRDCXHSDCT-NDBYEHHHSA-N 1 3 226.364 1.397 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000223913162 487801127 /nfs/dbraw/zinc/80/11/27/487801127.db2.gz OYWQAZLMGWDNNL-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO COC[C@@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335832500 487807485 /nfs/dbraw/zinc/80/74/85/487807485.db2.gz CRMNAGBCQDUXIO-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335832500 487807491 /nfs/dbraw/zinc/80/74/91/487807491.db2.gz CRMNAGBCQDUXIO-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO COC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335832500 487807496 /nfs/dbraw/zinc/80/74/96/487807496.db2.gz CRMNAGBCQDUXIO-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCCCN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251922670 487807933 /nfs/dbraw/zinc/80/79/33/487807933.db2.gz YPIQQQOWGFMRJP-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)(NCCC[NH3+])c1cccc(F)c1 ZINC000414707679 487818453 /nfs/dbraw/zinc/81/84/53/487818453.db2.gz NACBSPCEVZIYRV-UHFFFAOYSA-N 1 3 210.296 1.999 20 0 BDADHO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1CCN ZINC000681639862 487825052 /nfs/dbraw/zinc/82/50/52/487825052.db2.gz HBZDSCJOPJFMNU-ZDUSSCGKSA-N 1 3 233.359 1.676 20 0 BDADHO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCN ZINC000681639862 487825055 /nfs/dbraw/zinc/82/50/55/487825055.db2.gz HBZDSCJOPJFMNU-ZDUSSCGKSA-N 1 3 233.359 1.676 20 0 BDADHO CCCCOC(=O)CCN(C)CCC[NH3+] ZINC000843351426 588102469 /nfs/dbraw/zinc/10/24/69/588102469.db2.gz UBAXXJXWCLEZEU-UHFFFAOYSA-N 1 3 216.325 1.000 20 0 BDADHO [NH3+]CCCN[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000415134400 487838467 /nfs/dbraw/zinc/83/84/67/487838467.db2.gz DSIJWYGLAZSVJN-LBPRGKRZSA-N 1 3 237.322 1.343 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000234683511 487853631 /nfs/dbraw/zinc/85/36/31/487853631.db2.gz DQKWXTDPTDQLAK-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO CO[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000234833814 487883206 /nfs/dbraw/zinc/88/32/06/487883206.db2.gz BNISHDPIAWRENN-AWEZNQCLSA-N 1 3 246.354 1.553 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCc2cnc3ccccn23)C1 ZINC000666852277 487891219 /nfs/dbraw/zinc/89/12/19/487891219.db2.gz YLVAJBNTNDYOJV-NWDGAFQWSA-N 1 3 244.342 1.694 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000403809738 487891397 /nfs/dbraw/zinc/89/13/97/487891397.db2.gz KJHULAXKYXSEMQ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403809736 487891937 /nfs/dbraw/zinc/89/19/37/487891937.db2.gz KJHULAXKYXSEMQ-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CC1CCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000666965375 487896180 /nfs/dbraw/zinc/89/61/80/487896180.db2.gz BMKDYHRMQQPQMP-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H]([NH3+])CNC[C@H]1CCOc2ccccc21 ZINC000666910455 487901854 /nfs/dbraw/zinc/90/18/54/487901854.db2.gz PBWLQCZWHXQESP-NEPJUHHUSA-N 1 3 234.343 1.880 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995651 487925302 /nfs/dbraw/zinc/92/53/02/487925302.db2.gz VJJBDOIODONTIF-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995651 487925306 /nfs/dbraw/zinc/92/53/06/487925306.db2.gz VJJBDOIODONTIF-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO COC[C@@H](C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570092904 323049984 /nfs/dbraw/zinc/04/99/84/323049984.db2.gz AVNRUJDLJLZNEM-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)[NH+](CCCN[C@H](C)[C@@H](C)O)C(C)C ZINC000570156002 323051199 /nfs/dbraw/zinc/05/11/99/323051199.db2.gz UOHNIINQXBBSSV-CHWSQXEVSA-N 1 3 230.396 1.854 20 0 BDADHO CC(C)C[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)O)C1 ZINC000563528763 323129244 /nfs/dbraw/zinc/12/92/44/323129244.db2.gz FAAJUUOQQIWFKI-YNEHKIRRSA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)C[N@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)O)C1 ZINC000563528763 323129245 /nfs/dbraw/zinc/12/92/45/323129245.db2.gz FAAJUUOQQIWFKI-YNEHKIRRSA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)CN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000563528763 323129246 /nfs/dbraw/zinc/12/92/46/323129246.db2.gz FAAJUUOQQIWFKI-YNEHKIRRSA-N 1 3 228.380 1.323 20 0 BDADHO CC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000571158362 323136977 /nfs/dbraw/zinc/13/69/77/323136977.db2.gz GDTCHPVFXRTYLB-SRVKXCTJSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000571158362 323136978 /nfs/dbraw/zinc/13/69/78/323136978.db2.gz GDTCHPVFXRTYLB-SRVKXCTJSA-N 1 3 214.353 1.220 20 0 BDADHO CC[NH2+]CCCN[C@H](Cn1cccn1)C(C)C ZINC000571394710 323143252 /nfs/dbraw/zinc/14/32/52/323143252.db2.gz FDIUDNZICZAEKH-CYBMUJFWSA-N 1 3 238.379 1.497 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000571582004 323148646 /nfs/dbraw/zinc/14/86/46/323148646.db2.gz WRGTWFGPFRXIJT-WOPDTQHZSA-N 1 3 234.347 1.127 20 0 BDADHO C[C@H](O)[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000305630846 323171148 /nfs/dbraw/zinc/17/11/48/323171148.db2.gz MLCMERUGQGCOQA-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000305630846 323171149 /nfs/dbraw/zinc/17/11/49/323171149.db2.gz MLCMERUGQGCOQA-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1CNCC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818076 323178918 /nfs/dbraw/zinc/17/89/18/323178918.db2.gz JABSSSYPGHBWEX-JOYOIKCWSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+](C)C)[C@@H](C)O1 ZINC000395014597 323185163 /nfs/dbraw/zinc/18/51/63/323185163.db2.gz NBFXKBCXZGOVLG-MXWKQRLJSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@@H](NCCCCF)[C@H]1CCCC[NH2+]1 ZINC000395106697 323187064 /nfs/dbraw/zinc/18/70/64/323187064.db2.gz XHSMTFZYRNEKGG-GHMZBOCLSA-N 1 3 202.317 1.856 20 0 BDADHO [NH3+]CCCN1CCc2ccccc2CC1 ZINC000070620747 323205156 /nfs/dbraw/zinc/20/51/56/323205156.db2.gz FNBDLFVZGOEWFJ-UHFFFAOYSA-N 1 3 204.317 1.436 20 0 BDADHO NCCC[NH+]1CCc2ccccc2CC1 ZINC000070620747 323205157 /nfs/dbraw/zinc/20/51/57/323205157.db2.gz FNBDLFVZGOEWFJ-UHFFFAOYSA-N 1 3 204.317 1.436 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H](COC)C1CC1 ZINC000398072809 324217090 /nfs/dbraw/zinc/21/70/90/324217090.db2.gz DZGBBUUCSHUXHG-LLVKDONJSA-N 1 3 214.353 1.519 20 0 BDADHO CCC([NH3+])(CC)CN[C@H](COC)C1CC1 ZINC000398072809 324217092 /nfs/dbraw/zinc/21/70/92/324217092.db2.gz DZGBBUUCSHUXHG-LLVKDONJSA-N 1 3 214.353 1.519 20 0 BDADHO CC1(C)CN(C[C@H]2CC[NH2+]C2)CCS1 ZINC000158592574 487968286 /nfs/dbraw/zinc/96/82/86/487968286.db2.gz ASYVUNWSLQITKZ-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CCN1C ZINC000566185308 326003923 /nfs/dbraw/zinc/00/39/23/326003923.db2.gz AZNLGRBAGXCKGJ-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000567343969 326168251 /nfs/dbraw/zinc/16/82/51/326168251.db2.gz JJZSUSUPUMKNFH-RYUDHWBXSA-N 1 3 226.364 1.391 20 0 BDADHO CC[NH2+]CCCN[C@@H](C)[C@@H]1CCCO1 ZINC000567638861 326235153 /nfs/dbraw/zinc/23/51/53/326235153.db2.gz NXVHFWZSWZKWCC-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO N[C@@H]1CCCc2cn(CC[C@H]3CC[NH2+]C3)nc21 ZINC000567673767 326243083 /nfs/dbraw/zinc/24/30/83/326243083.db2.gz GTXMZBORJWTSNR-ZYHUDNBSSA-N 1 3 234.347 1.219 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000568261431 326336736 /nfs/dbraw/zinc/33/67/36/326336736.db2.gz UMEMEEMSPWFOBP-OLZOCXBDSA-N 1 3 226.364 1.172 20 0 BDADHO CCCN1CC[C@H](N[C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400468347 487980376 /nfs/dbraw/zinc/98/03/76/487980376.db2.gz UKMZCXYTGMCUMS-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO C[N@H+](CCCN)C[C@H]1CCOc2ccccc21 ZINC000158991047 487985537 /nfs/dbraw/zinc/98/55/37/487985537.db2.gz OHOMVCNIBPZQRT-GFCCVEGCSA-N 1 3 234.343 1.833 20 0 BDADHO C[N@@H+](CCCN)C[C@H]1CCOc2ccccc21 ZINC000158991047 487985540 /nfs/dbraw/zinc/98/55/40/487985540.db2.gz OHOMVCNIBPZQRT-GFCCVEGCSA-N 1 3 234.343 1.833 20 0 BDADHO COc1cccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655827658 488010958 /nfs/dbraw/zinc/01/09/58/488010958.db2.gz WQQLMOMBPKYPEO-BJHJDKERSA-N 1 3 249.358 1.520 20 0 BDADHO C(CC1CC[NH2+]CC1)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090908650 488013154 /nfs/dbraw/zinc/01/31/54/488013154.db2.gz UNTIOAXFXHTHEZ-OKILXGFUSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)N(C)C[C@H](C)C[NH3+] ZINC001172745809 974920136 /nfs/dbraw/zinc/92/01/36/974920136.db2.gz KSBBYMZLOJOLRG-NEPJUHHUSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001172745809 974920142 /nfs/dbraw/zinc/92/01/42/974920142.db2.gz KSBBYMZLOJOLRG-NEPJUHHUSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172745809 974920154 /nfs/dbraw/zinc/92/01/54/974920154.db2.gz KSBBYMZLOJOLRG-NEPJUHHUSA-N 1 3 244.379 1.633 20 0 BDADHO CN(C)CC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000084479611 488053755 /nfs/dbraw/zinc/05/37/55/488053755.db2.gz YGEKMKXZXKXZGF-NSHDSACASA-N 1 3 213.369 1.010 20 0 BDADHO CN(C)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084479611 488053758 /nfs/dbraw/zinc/05/37/58/488053758.db2.gz YGEKMKXZXKXZGF-NSHDSACASA-N 1 3 213.369 1.010 20 0 BDADHO CN(C)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084479611 488053763 /nfs/dbraw/zinc/05/37/63/488053763.db2.gz YGEKMKXZXKXZGF-NSHDSACASA-N 1 3 213.369 1.010 20 0 BDADHO C([C@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257651314 488075268 /nfs/dbraw/zinc/07/52/68/488075268.db2.gz DIZMWEKKWPSAKQ-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257651314 488075272 /nfs/dbraw/zinc/07/52/72/488075272.db2.gz DIZMWEKKWPSAKQ-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO CCCN1CC[C@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000389253516 488085377 /nfs/dbraw/zinc/08/53/77/488085377.db2.gz NEFRJFHHLQVUGP-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CC[NH+]1CCC(NCCc2cncc(C)n2)CC1 ZINC000402860443 488105459 /nfs/dbraw/zinc/10/54/59/488105459.db2.gz XJQJONHBOIHJKW-UHFFFAOYSA-N 1 3 248.374 1.401 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000683141241 488118138 /nfs/dbraw/zinc/11/81/38/488118138.db2.gz RZZKFDHUORWCPU-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H](CCO)C1 ZINC000683141241 488118143 /nfs/dbraw/zinc/11/81/43/488118143.db2.gz RZZKFDHUORWCPU-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO Cc1ccc(CC[N@H+](C)CCCN)cc1 ZINC000258690087 488128438 /nfs/dbraw/zinc/12/84/38/488128438.db2.gz FTJPBQIEZKFHBV-UHFFFAOYSA-N 1 3 206.333 1.818 20 0 BDADHO Cc1ccc(CC[N@@H+](C)CCCN)cc1 ZINC000258690087 488128440 /nfs/dbraw/zinc/12/84/40/488128440.db2.gz FTJPBQIEZKFHBV-UHFFFAOYSA-N 1 3 206.333 1.818 20 0 BDADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000403612003 488129209 /nfs/dbraw/zinc/12/92/09/488129209.db2.gz IZHZVKGDEOHWLQ-RGDJUOJXSA-N 1 3 220.360 1.574 20 0 BDADHO C[C@H]([NH3+])CNC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000669517791 488129632 /nfs/dbraw/zinc/12/96/32/488129632.db2.gz WQCRGEKWSPGXHX-JQWIXIFHSA-N 1 3 249.358 1.176 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@@H](C)CO)CC1 ZINC000121133807 490076733 /nfs/dbraw/zinc/07/67/33/490076733.db2.gz DEHKDNPKYWTONO-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO C[N@H+](C[C@@H](O)CN1CCC2(CC2)CC1)C1CC1 ZINC000685569973 487551515 /nfs/dbraw/zinc/55/15/15/487551515.db2.gz JIFQJFGOUOXJJO-CYBMUJFWSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+](C[C@@H](O)CN1CCC2(CC2)CC1)C1CC1 ZINC000685569973 487551516 /nfs/dbraw/zinc/55/15/16/487551516.db2.gz JIFQJFGOUOXJJO-CYBMUJFWSA-N 1 3 238.375 1.318 20 0 BDADHO C[NH+]1CCC([C@@H]2CCN(Cc3cn[nH]c3)C2)CC1 ZINC000685462820 487530715 /nfs/dbraw/zinc/53/07/15/487530715.db2.gz MQPQZGULLOQQOZ-CQSZACIVSA-N 1 3 248.374 1.573 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167125685 488140056 /nfs/dbraw/zinc/14/00/56/488140056.db2.gz SIUSUDKEISOSDJ-QJPTWQEYSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167125685 488140064 /nfs/dbraw/zinc/14/00/64/488140064.db2.gz SIUSUDKEISOSDJ-QJPTWQEYSA-N 1 3 212.337 1.238 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](C2CC2)C1 ZINC000399987811 487499019 /nfs/dbraw/zinc/49/90/19/487499019.db2.gz CYNUDQSWNUAYJE-ZIAGYGMSSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C2CC2)C1 ZINC000399987811 487499024 /nfs/dbraw/zinc/49/90/24/487499024.db2.gz CYNUDQSWNUAYJE-ZIAGYGMSSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H]1C ZINC000381084268 487494751 /nfs/dbraw/zinc/49/47/51/487494751.db2.gz SGQJPHXDTOHHRY-AGIUHOORSA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@@H]1C ZINC000381084268 487494756 /nfs/dbraw/zinc/49/47/56/487494756.db2.gz SGQJPHXDTOHHRY-AGIUHOORSA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000379801391 488150525 /nfs/dbraw/zinc/15/05/25/488150525.db2.gz MPXQIIOOWQZOFX-ZDUSSCGKSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000379801391 488150528 /nfs/dbraw/zinc/15/05/28/488150528.db2.gz MPXQIIOOWQZOFX-ZDUSSCGKSA-N 1 3 242.407 1.810 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H]2CCOc3ccccc32)C1 ZINC000162065432 487534122 /nfs/dbraw/zinc/53/41/22/487534122.db2.gz MDVFFIBNXHSSDB-OLZOCXBDSA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162065432 487534128 /nfs/dbraw/zinc/53/41/28/487534128.db2.gz MDVFFIBNXHSSDB-OLZOCXBDSA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000162065432 487534136 /nfs/dbraw/zinc/53/41/36/487534136.db2.gz MDVFFIBNXHSSDB-OLZOCXBDSA-N 1 3 246.354 1.833 20 0 BDADHO CC1(CNCc2nccs2)CC[NH2+]CC1 ZINC000062841838 490042841 /nfs/dbraw/zinc/04/28/41/490042841.db2.gz WYWWMWKTBZXAHK-UHFFFAOYSA-N 1 3 225.361 1.622 20 0 BDADHO CCCn1cc(CN[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000666952387 487890646 /nfs/dbraw/zinc/89/06/46/487890646.db2.gz UWMOPVSOKCZAKM-CYBMUJFWSA-N 1 3 248.374 1.525 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000229379316 487907967 /nfs/dbraw/zinc/90/79/67/487907967.db2.gz NSJDHYNXWSGIPZ-UPJWGTAASA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000229379316 487907971 /nfs/dbraw/zinc/90/79/71/487907971.db2.gz NSJDHYNXWSGIPZ-UPJWGTAASA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000229379316 487907974 /nfs/dbraw/zinc/90/79/74/487907974.db2.gz NSJDHYNXWSGIPZ-UPJWGTAASA-N 1 3 228.380 1.730 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2ccnn2C)C1 ZINC000230745403 488150542 /nfs/dbraw/zinc/15/05/42/488150542.db2.gz YUFSOXGFYOSGNG-NEPJUHHUSA-N 1 3 236.363 1.022 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN(CCO)CC(C)(C)C ZINC000678075770 488192140 /nfs/dbraw/zinc/19/21/40/488192140.db2.gz HLWOPTUNIIWOFG-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN(CCO)CC(C)(C)C ZINC000678075770 488192143 /nfs/dbraw/zinc/19/21/43/488192143.db2.gz HLWOPTUNIIWOFG-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CC(C)NCC(=O)NCC1([NH3+])CCCCCC1 ZINC000662397447 490065094 /nfs/dbraw/zinc/06/50/94/490065094.db2.gz DKNSVHHLFAPOOU-UHFFFAOYSA-N 1 3 241.379 1.152 20 0 BDADHO C[C@@H](NCc1nccn1C)C1CC[NH+](C)CC1 ZINC000071273155 490259807 /nfs/dbraw/zinc/25/98/07/490259807.db2.gz NYYCBUOXDHLULZ-LLVKDONJSA-N 1 3 236.363 1.240 20 0 BDADHO CC[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000381079294 490267709 /nfs/dbraw/zinc/26/77/09/490267709.db2.gz QYDZFXGRVQLZRZ-CHWSQXEVSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000381079294 490267716 /nfs/dbraw/zinc/26/77/16/490267716.db2.gz QYDZFXGRVQLZRZ-CHWSQXEVSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@@H]1CC[C@@H](CN2CC[C@](C)(C[NH3+])C2)O1 ZINC000300351522 490557768 /nfs/dbraw/zinc/55/77/68/490557768.db2.gz BEKQYVJLHIGCSH-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@](C)(CN)C2)O1 ZINC000300351522 490557771 /nfs/dbraw/zinc/55/77/71/490557771.db2.gz BEKQYVJLHIGCSH-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CC[C@](C)(CN)C2)O1 ZINC000300351522 490557774 /nfs/dbraw/zinc/55/77/74/490557774.db2.gz BEKQYVJLHIGCSH-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741421 491101161 /nfs/dbraw/zinc/10/11/61/491101161.db2.gz DMDNMNNICLFFJB-VEGXAWMVSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741421 491101162 /nfs/dbraw/zinc/10/11/62/491101162.db2.gz DMDNMNNICLFFJB-VEGXAWMVSA-N 1 3 224.348 1.284 20 0 BDADHO CN(CCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000133737999 491159968 /nfs/dbraw/zinc/15/99/68/491159968.db2.gz BHGSOEJHITXELO-OAHLLOKOSA-N 1 3 247.386 1.542 20 0 BDADHO C[C@H](N[C@@H](C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000400709341 533972239 /nfs/dbraw/zinc/97/22/39/533972239.db2.gz LWASCNCEWQBUGW-GVXVVHGQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCCN1 ZINC000400709341 533972243 /nfs/dbraw/zinc/97/22/43/533972243.db2.gz LWASCNCEWQBUGW-GVXVVHGQSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251889074 535846229 /nfs/dbraw/zinc/84/62/29/535846229.db2.gz WSQIXEOSQQLNLT-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251889074 535846237 /nfs/dbraw/zinc/84/62/37/535846237.db2.gz WSQIXEOSQQLNLT-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CCC[NH3+])[C@H]1CCc2ccccc2C1 ZINC000227745537 536342588 /nfs/dbraw/zinc/34/25/88/536342588.db2.gz WPXPKEXSJKMIPW-AWEZNQCLSA-N 1 3 218.344 1.825 20 0 BDADHO C[N@H+](CCCN)[C@H]1CCc2ccccc2C1 ZINC000227745537 536342590 /nfs/dbraw/zinc/34/25/90/536342590.db2.gz WPXPKEXSJKMIPW-AWEZNQCLSA-N 1 3 218.344 1.825 20 0 BDADHO C[N@@H+](CCCN)[C@H]1CCc2ccccc2C1 ZINC000227745537 536342592 /nfs/dbraw/zinc/34/25/92/536342592.db2.gz WPXPKEXSJKMIPW-AWEZNQCLSA-N 1 3 218.344 1.825 20 0 BDADHO CC(C)(C)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257685287 534604835 /nfs/dbraw/zinc/60/48/35/534604835.db2.gz HYOOFQNTPIJFFZ-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000495108818 528369549 /nfs/dbraw/zinc/36/95/49/528369549.db2.gz DBUQEAMRLSJIIC-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CC1(C)NCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000335646060 534985326 /nfs/dbraw/zinc/98/53/26/534985326.db2.gz KEBGTYOMYZSIKO-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)[NH+]1CCC(N(C)CCCO)CC1 ZINC000257767088 535153302 /nfs/dbraw/zinc/15/33/02/535153302.db2.gz AINRLOKRGQMHNF-UHFFFAOYSA-N 1 3 214.353 1.173 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2)C1(C)C ZINC000261540134 535409494 /nfs/dbraw/zinc/40/94/94/535409494.db2.gz DVASKOAQVMRTBF-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000261540134 535409498 /nfs/dbraw/zinc/40/94/98/535409498.db2.gz DVASKOAQVMRTBF-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO CCOC[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000133009868 535691863 /nfs/dbraw/zinc/69/18/63/535691863.db2.gz BPCGSVXIIZWKGY-MNOVXSKESA-N 1 3 202.342 1.341 20 0 BDADHO CCN1C[C@H](C)[C@H](NCCC[N@@H+](C)C(C)C)C1 ZINC000343153629 535781688 /nfs/dbraw/zinc/78/16/88/535781688.db2.gz DOGZDUYSWFMMMR-UONOGXRCSA-N 1 3 241.423 1.647 20 0 BDADHO CCN1C[C@H](C)[C@H](NCCC[N@H+](C)C(C)C)C1 ZINC000343153629 535781684 /nfs/dbraw/zinc/78/16/84/535781684.db2.gz DOGZDUYSWFMMMR-UONOGXRCSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@@](C)(O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000177961342 536010775 /nfs/dbraw/zinc/01/07/75/536010775.db2.gz HFLYEFZORAIVCF-CQSZACIVSA-N 1 3 242.407 2.000 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000336119423 536137710 /nfs/dbraw/zinc/13/77/10/536137710.db2.gz NPVWLSQENNORMR-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC(C)(C)O)CC1 ZINC000336165886 536136409 /nfs/dbraw/zinc/13/64/09/536136409.db2.gz GBNINPURPRCWPU-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000336165886 536136416 /nfs/dbraw/zinc/13/64/16/536136416.db2.gz GBNINPURPRCWPU-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CC(C)(C)O)CC1 ZINC000336165886 536136418 /nfs/dbraw/zinc/13/64/18/536136418.db2.gz GBNINPURPRCWPU-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000336119423 536137707 /nfs/dbraw/zinc/13/77/07/536137707.db2.gz NPVWLSQENNORMR-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CN(CCC1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262111034 536326578 /nfs/dbraw/zinc/32/65/78/536326578.db2.gz WMXJBFPVZHNJJP-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO COCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442227 536589731 /nfs/dbraw/zinc/58/97/31/536589731.db2.gz BEFOBKPGNYDWAI-NEPJUHHUSA-N 1 3 212.337 1.239 20 0 BDADHO COCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442227 536589738 /nfs/dbraw/zinc/58/97/38/536589738.db2.gz BEFOBKPGNYDWAI-NEPJUHHUSA-N 1 3 212.337 1.239 20 0 BDADHO COCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494250 536590591 /nfs/dbraw/zinc/59/05/91/536590591.db2.gz BNBFGNSLVOSRKB-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975434 536646433 /nfs/dbraw/zinc/64/64/33/536646433.db2.gz FTUCYSMDRGAKGI-VXGBXAGGSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@@H]1C ZINC000261533374 536730115 /nfs/dbraw/zinc/73/01/15/536730115.db2.gz HJTMBTJTXOFESQ-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1(C)C ZINC000261541297 536808763 /nfs/dbraw/zinc/80/87/63/536808763.db2.gz JOUPHPIVWJOOLU-QNWHQSFQSA-N 1 3 240.391 1.907 20 0 BDADHO COc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000089146308 536808697 /nfs/dbraw/zinc/80/86/97/536808697.db2.gz WQNJWAPADNKPNZ-QWHCGFSZSA-N 1 3 249.358 1.697 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348105140 566264457 /nfs/dbraw/zinc/26/44/57/566264457.db2.gz FSOXVFMBKOTXLC-CHWSQXEVSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@@H](CO)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394451939 582976428 /nfs/dbraw/zinc/97/64/28/582976428.db2.gz TWXGURFINFIGOA-FKJOKYEKSA-N 1 3 226.364 1.172 20 0 BDADHO C[C@@H](CO)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394451939 582976429 /nfs/dbraw/zinc/97/64/29/582976429.db2.gz TWXGURFINFIGOA-FKJOKYEKSA-N 1 3 226.364 1.172 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC1SCCS1 ZINC000853022927 588716591 /nfs/dbraw/zinc/71/65/91/588716591.db2.gz HVRWQTITVIBUST-UWVGGRQHSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC1SCCS1 ZINC000853022927 588716592 /nfs/dbraw/zinc/71/65/92/588716592.db2.gz HVRWQTITVIBUST-UWVGGRQHSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@H](C[NH+]1CCCCC1)Nc1ccncc1CO ZINC000891793158 582722001 /nfs/dbraw/zinc/72/20/01/582722001.db2.gz MXWROKTYLAEBMB-GFCCVEGCSA-N 1 3 249.358 1.282 20 0 BDADHO CC[NH+]1CCC(CNc2ccncc2CO)CC1 ZINC000891983278 582752026 /nfs/dbraw/zinc/75/20/26/582752026.db2.gz RPMPBCSQHZWRTO-UHFFFAOYSA-N 1 3 249.358 1.140 20 0 BDADHO CCOC[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000892178911 582805794 /nfs/dbraw/zinc/80/57/94/582805794.db2.gz DWPAGIZOWFNKBS-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO CCOC[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892178911 582805796 /nfs/dbraw/zinc/80/57/96/582805796.db2.gz DWPAGIZOWFNKBS-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO C[C@H]1C[C@H](Nc2ccncc2CO)C[N@@H+]1C1CC1 ZINC000892875629 583001593 /nfs/dbraw/zinc/00/15/93/583001593.db2.gz HEOIOACYRPJDHV-JQWIXIFHSA-N 1 3 247.342 1.033 20 0 BDADHO C[C@H]1C[C@H](Nc2ccncc2CO)C[N@H+]1C1CC1 ZINC000892875629 583001596 /nfs/dbraw/zinc/00/15/96/583001596.db2.gz HEOIOACYRPJDHV-JQWIXIFHSA-N 1 3 247.342 1.033 20 0 BDADHO Cc1ncoc1CN(C)CC1CC[NH+](C)CC1 ZINC000894001689 583272579 /nfs/dbraw/zinc/27/25/79/583272579.db2.gz IWRMEHZNYCKYAU-UHFFFAOYSA-N 1 3 237.347 1.757 20 0 BDADHO NCc1cccc(C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000841846573 583356181 /nfs/dbraw/zinc/35/61/81/583356181.db2.gz YEVBSAZLHWQQSM-CYBMUJFWSA-N 1 3 247.342 1.017 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000894708055 583512006 /nfs/dbraw/zinc/51/20/06/583512006.db2.gz RFEYJTYAOPHFRE-GFCCVEGCSA-N 1 3 248.317 1.030 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@](O)(C(F)F)C2)CC1 ZINC000894708055 583512009 /nfs/dbraw/zinc/51/20/09/583512009.db2.gz RFEYJTYAOPHFRE-GFCCVEGCSA-N 1 3 248.317 1.030 20 0 BDADHO C[NH+]1CCC([C@H]2CCN(Cc3c[nH]cn3)C2)CC1 ZINC000894779583 583519635 /nfs/dbraw/zinc/51/96/35/583519635.db2.gz IXGOXVVZAFRKNT-ZDUSSCGKSA-N 1 3 248.374 1.573 20 0 BDADHO C[NH+]1CCC([C@H]2CCN(Cc3cnc[nH]3)C2)CC1 ZINC000894779583 583519637 /nfs/dbraw/zinc/51/96/37/583519637.db2.gz IXGOXVVZAFRKNT-ZDUSSCGKSA-N 1 3 248.374 1.573 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3cn[nH]c32)C1 ZINC000857849391 588912318 /nfs/dbraw/zinc/91/23/18/588912318.db2.gz WSBHTPXJAHNNSM-AAEUAGOBSA-N 1 3 248.374 1.719 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCc3cn[nH]c32)C1 ZINC000857849391 588912320 /nfs/dbraw/zinc/91/23/20/588912320.db2.gz WSBHTPXJAHNNSM-AAEUAGOBSA-N 1 3 248.374 1.719 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2nccn2C2CC2)C1 ZINC000895204283 583624937 /nfs/dbraw/zinc/62/49/37/583624937.db2.gz AKLNKUOFTYLMRT-BJHJDKERSA-N 1 3 248.374 1.648 20 0 BDADHO C[C@H](CCn1cccn1)[NH2+]CC[C@H](C)N(C)C ZINC000895293640 583639417 /nfs/dbraw/zinc/63/94/17/583639417.db2.gz ITCVHFMCFHBTSV-OLZOCXBDSA-N 1 3 238.379 1.592 20 0 BDADHO COC[C@@H](CC(C)C)NCC[C@@H](C)[NH+](C)C ZINC000895293666 583639840 /nfs/dbraw/zinc/63/98/40/583639840.db2.gz JASZAZXBUUXZLI-CHWSQXEVSA-N 1 3 230.396 1.977 20 0 BDADHO C[C@H](Cc1cnccn1)NCC[C@@H](C)[NH+](C)C ZINC000895293827 583639862 /nfs/dbraw/zinc/63/98/62/583639862.db2.gz ROAZHOHNRXDUMA-VXGBXAGGSA-N 1 3 236.363 1.337 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+]CC[C@@H](C)N(C)C ZINC000895293827 583639863 /nfs/dbraw/zinc/63/98/63/583639863.db2.gz ROAZHOHNRXDUMA-VXGBXAGGSA-N 1 3 236.363 1.337 20 0 BDADHO C[C@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000895443776 583674665 /nfs/dbraw/zinc/67/46/65/583674665.db2.gz YWTPBTDLEMMIAE-YEJSDXFRSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@H](O)C1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000895443776 583674667 /nfs/dbraw/zinc/67/46/67/583674667.db2.gz YWTPBTDLEMMIAE-YEJSDXFRSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@H]1[C@H](Nc2cc(N)[nH+]cc2Cl)CCN1C ZINC000895735482 583717029 /nfs/dbraw/zinc/71/70/29/583717029.db2.gz VHRJMETYYLUMRM-IONNQARKSA-N 1 3 240.738 1.822 20 0 BDADHO CC1(C)CC[N@H+](CCNc2ccncc2CO)C1 ZINC000897248747 583902784 /nfs/dbraw/zinc/90/27/84/583902784.db2.gz ZZTRKCXECDIRBI-UHFFFAOYSA-N 1 3 249.358 1.140 20 0 BDADHO CC1(C)CC[N@@H+](CCNc2ccncc2CO)C1 ZINC000897248747 583902787 /nfs/dbraw/zinc/90/27/87/583902787.db2.gz ZZTRKCXECDIRBI-UHFFFAOYSA-N 1 3 249.358 1.140 20 0 BDADHO C[C@H](CNc1ccnc(CO)c1)C[NH+]1CCCC1 ZINC000858356490 588948533 /nfs/dbraw/zinc/94/85/33/588948533.db2.gz XYDQPEBYXKFEDZ-GFCCVEGCSA-N 1 3 249.358 1.718 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000897818108 584051021 /nfs/dbraw/zinc/05/10/21/584051021.db2.gz FDOGGJZXWWICTD-VVRFCBCGSA-N 1 3 248.370 1.379 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000897818108 584051024 /nfs/dbraw/zinc/05/10/24/584051024.db2.gz FDOGGJZXWWICTD-VVRFCBCGSA-N 1 3 248.370 1.379 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841049828 584124729 /nfs/dbraw/zinc/12/47/29/584124729.db2.gz WSJNZBVKFIIVCR-CHWFTXMASA-N 1 3 246.445 1.550 20 0 BDADHO C[C@H](NC[C@@H]1C[C@H]2CCC[C@H]2O1)C1C[NH2+]C1 ZINC000873281878 584128831 /nfs/dbraw/zinc/12/88/31/584128831.db2.gz QHEQROHBYUACRI-JULQROHOSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CNC1 ZINC000873281878 584128832 /nfs/dbraw/zinc/12/88/32/584128832.db2.gz QHEQROHBYUACRI-JULQROHOSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@@H](NC(=[NH2+])NCC(C)(C)CN(C)C)C1CC1 ZINC000899263881 584189128 /nfs/dbraw/zinc/18/91/28/584189128.db2.gz TXMQUZULIPDRSH-SNVBAGLBSA-N 1 3 240.395 1.487 20 0 BDADHO Cn1ncc(-c2ccc(F)c(CN)c2)c1C[NH3+] ZINC000899323504 584196441 /nfs/dbraw/zinc/19/64/41/584196441.db2.gz QFSWHWMUERLTOC-UHFFFAOYSA-N 1 3 234.278 1.144 20 0 BDADHO CC(C)N(C)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348236 584559455 /nfs/dbraw/zinc/55/94/55/584559455.db2.gz XYTYLLYWVJHRRX-ZDUSSCGKSA-N 1 3 241.423 1.694 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCn2ccnc2)C1 ZINC000902327602 584561269 /nfs/dbraw/zinc/56/12/69/584561269.db2.gz FGVHFDQCGZQQOH-LBPRGKRZSA-N 1 3 236.363 1.251 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376063 584567788 /nfs/dbraw/zinc/56/77/88/584567788.db2.gz HXASIFBYSYSEIW-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)C1 ZINC000902378163 584568541 /nfs/dbraw/zinc/56/85/41/584568541.db2.gz UOFKJXVPOPERIE-RWMBFGLXSA-N 1 3 240.391 1.515 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902359224 584570832 /nfs/dbraw/zinc/57/08/32/584570832.db2.gz GNTNGQNDZUPLAR-AAEUAGOBSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359224 584570833 /nfs/dbraw/zinc/57/08/33/584570833.db2.gz GNTNGQNDZUPLAR-AAEUAGOBSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CC23CC3)C1 ZINC000902395137 584584523 /nfs/dbraw/zinc/58/45/23/584584523.db2.gz ZRUCSDWAILKVLT-GHMZBOCLSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1COC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403496 584587992 /nfs/dbraw/zinc/58/79/92/584587992.db2.gz HKHDQSYFQQJMOA-GRYCIOLGSA-N 1 3 226.364 1.389 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902429567 584594911 /nfs/dbraw/zinc/59/49/11/584594911.db2.gz MSEPJQNWRBVQKL-XUXIUFHCSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902431467 584595339 /nfs/dbraw/zinc/59/53/39/584595339.db2.gz FIFHJUGPJKFJGM-JUDXGUMMSA-N 1 3 245.370 1.341 20 0 BDADHO NOCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000902414812 584600449 /nfs/dbraw/zinc/60/04/49/584600449.db2.gz CVHDLVDTMMJZDP-OLZOCXBDSA-N 1 3 241.379 1.025 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902473959 584602276 /nfs/dbraw/zinc/60/22/76/584602276.db2.gz AWJMYYYNLJTCQN-RKQHYHRCSA-N 1 3 238.375 1.673 20 0 BDADHO CC1(C)CNC[C@H]1[NH2+]C(C1CC1)C1CC1 ZINC000902451959 584607479 /nfs/dbraw/zinc/60/74/79/584607479.db2.gz ZGGZYGHWMZQRLW-LLVKDONJSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454771 584609260 /nfs/dbraw/zinc/60/92/60/584609260.db2.gz VHQKLNGNTADZDP-LHWOPQQMSA-N 1 3 236.359 1.140 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454771 584609263 /nfs/dbraw/zinc/60/92/63/584609263.db2.gz VHQKLNGNTADZDP-LHWOPQQMSA-N 1 3 236.359 1.140 20 0 BDADHO C1CC1N1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902463185 584612361 /nfs/dbraw/zinc/61/23/61/584612361.db2.gz ZOZVEQGBIAJTIW-IACUBPJLSA-N 1 3 235.375 1.096 20 0 BDADHO CC[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902487100 584626052 /nfs/dbraw/zinc/62/60/52/584626052.db2.gz JPWCRYQDILRRTM-GMTAPVOTSA-N 1 3 222.336 1.198 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC/C=C/Cl ZINC000902517483 584629950 /nfs/dbraw/zinc/62/99/50/584629950.db2.gz IIBFQQXOLXYGMA-FAELLTOESA-N 1 3 202.729 1.846 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOC1CCSCC1 ZINC000902521394 584631335 /nfs/dbraw/zinc/63/13/35/584631335.db2.gz RXUXKUPZUODSHN-QWRGUYRKSA-N 1 3 246.420 1.614 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902521415 584631564 /nfs/dbraw/zinc/63/15/64/584631564.db2.gz SOJURVIYBDHFEG-QNWHQSFQSA-N 1 3 224.348 1.128 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522474 584632099 /nfs/dbraw/zinc/63/20/99/584632099.db2.gz XOZJKJCYQPGZNS-DDHJSBNISA-N 1 3 246.354 1.504 20 0 BDADHO C1CC1[C@H]1COC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902522428 584632212 /nfs/dbraw/zinc/63/22/12/584632212.db2.gz WUXPDPGHYQTGTG-UPJWGTAASA-N 1 3 224.348 1.143 20 0 BDADHO CN(C)CCOCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902971184 584712447 /nfs/dbraw/zinc/71/24/47/584712447.db2.gz UICWWXSIFKDVAR-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098916 584726764 /nfs/dbraw/zinc/72/67/64/584726764.db2.gz VIBAQUSRMGDMQT-WDFAYWTNSA-N 1 3 238.375 1.505 20 0 BDADHO C[C@@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098916 584726765 /nfs/dbraw/zinc/72/67/65/584726765.db2.gz VIBAQUSRMGDMQT-WDFAYWTNSA-N 1 3 238.375 1.505 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCOC12CCCC2)CN(C)C ZINC000903174728 584732479 /nfs/dbraw/zinc/73/24/79/584732479.db2.gz NBNIGLWPDBGMPS-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCC1CCOCC1 ZINC000903439373 584762759 /nfs/dbraw/zinc/76/27/59/584762759.db2.gz HLQQBVHFWFQNFF-OCCSQVGLSA-N 1 3 240.391 1.590 20 0 BDADHO CC[C@@H](C)N(CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457536 584765002 /nfs/dbraw/zinc/76/50/02/584765002.db2.gz WIYBPXFHELPBQC-UTUOFQBUSA-N 1 3 242.363 1.387 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(n2ccnc2)CC1 ZINC000903442681 584767890 /nfs/dbraw/zinc/76/78/90/584767890.db2.gz YDTBNTWWCJRMMY-OLZOCXBDSA-N 1 3 248.374 1.376 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903470220 584774659 /nfs/dbraw/zinc/77/46/59/584774659.db2.gz IGCBQVWQPVZDEE-LBPRGKRZSA-N 1 3 226.364 1.676 20 0 BDADHO Cc1nccn1CCCN[C@@H]1CC[NH2+]C12CCC2 ZINC000903470482 584774997 /nfs/dbraw/zinc/77/49/97/584774997.db2.gz MFZIIQGPNAXMDK-CYBMUJFWSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470482 584774998 /nfs/dbraw/zinc/77/49/98/584774998.db2.gz MFZIIQGPNAXMDK-CYBMUJFWSA-N 1 3 248.374 1.456 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@H]1C[C@@]12CCOC2 ZINC000903470942 584775589 /nfs/dbraw/zinc/77/55/89/584775589.db2.gz DXZFKHZQLVTVFB-FRRDWIJNSA-N 1 3 236.359 1.287 20 0 BDADHO CCOC(=O)[C@@H]1C[C@H]1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000903763516 584797624 /nfs/dbraw/zinc/79/76/24/584797624.db2.gz LHEOUAVSKJDLTF-IRCOFANPSA-N 1 3 240.347 1.045 20 0 BDADHO OCC[C@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903768684 584797769 /nfs/dbraw/zinc/79/77/69/584797769.db2.gz PABONHHAMZYOOX-ZIAGYGMSSA-N 1 3 240.391 1.613 20 0 BDADHO CC12CC(C1)CN2C[C@@H]1CCCC[NH2+]C1 ZINC000903770344 584797776 /nfs/dbraw/zinc/79/77/76/584797776.db2.gz XBRXFZZWRAGZLS-PNESKVBLSA-N 1 3 208.349 1.860 20 0 BDADHO CC12CC(C1)C[N@@H+]2C[C@@H]1CCCCNC1 ZINC000903770344 584797777 /nfs/dbraw/zinc/79/77/77/584797777.db2.gz XBRXFZZWRAGZLS-PNESKVBLSA-N 1 3 208.349 1.860 20 0 BDADHO CC12CC(C1)C[N@H+]2C[C@@H]1CCCCNC1 ZINC000903770344 584797778 /nfs/dbraw/zinc/79/77/78/584797778.db2.gz XBRXFZZWRAGZLS-PNESKVBLSA-N 1 3 208.349 1.860 20 0 BDADHO [NH3+]C[C@@]12CC[C@@H]1CCN2CCCCCF ZINC000903858999 584810825 /nfs/dbraw/zinc/81/08/25/584810825.db2.gz KTUKCXXGSAPRFK-NEPJUHHUSA-N 1 3 214.328 1.939 20 0 BDADHO CO[C@H](CN1CC[C@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903859849 584811213 /nfs/dbraw/zinc/81/12/13/584811213.db2.gz OZQYDALPEKYYTA-MGPQQGTHSA-N 1 3 238.375 1.615 20 0 BDADHO CCO[C@H](CN1CC[C@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903860029 584811593 /nfs/dbraw/zinc/81/15/93/584811593.db2.gz QASRLUXJVGFWRI-MCIONIFRSA-N 1 3 238.375 1.615 20 0 BDADHO CN(C[C@@H]([NH3+])CC(F)F)[C@@H]1CCN(C2CC2)C1 ZINC000903892909 584818848 /nfs/dbraw/zinc/81/88/48/584818848.db2.gz XZYCQKLZWULGIB-GXSJLCMTSA-N 1 3 247.333 1.137 20 0 BDADHO CN(CCN1CCCCC1)C[C@H]([NH3+])CC(F)F ZINC000903932144 584824846 /nfs/dbraw/zinc/82/48/46/584824846.db2.gz NBLIOHXDBREQCO-LLVKDONJSA-N 1 3 249.349 1.387 20 0 BDADHO COCC1(NC[C@H]([NH3+])CC(F)F)CCCC1 ZINC000903934023 584824895 /nfs/dbraw/zinc/82/48/95/584824895.db2.gz YYXVCZPLHNITKZ-SECBINFHSA-N 1 3 236.306 1.518 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]CCC(C)(C)N)CCO1 ZINC000903938712 584826271 /nfs/dbraw/zinc/82/62/71/584826271.db2.gz IBBKDROAULCRSO-NEPJUHHUSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)[C@@H]1C[C@H](NCCC(C)(C)[NH3+])CCO1 ZINC000903938712 584826273 /nfs/dbraw/zinc/82/62/73/584826273.db2.gz IBBKDROAULCRSO-NEPJUHHUSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@H](COC)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956969 584827861 /nfs/dbraw/zinc/82/78/61/584827861.db2.gz ODGHAWZTDVTJBC-VHSXEESVSA-N 1 3 236.306 1.246 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]CCC(C)(C)N ZINC000903939799 584828722 /nfs/dbraw/zinc/82/87/22/584828722.db2.gz MTTKWSPNQCRGSG-LLVKDONJSA-N 1 3 228.380 1.909 20 0 BDADHO COC(=O)C(C)(C)CCNCCC(C)(C)[NH3+] ZINC000903940098 584829084 /nfs/dbraw/zinc/82/90/84/584829084.db2.gz WMDIMPGJORFLEV-UHFFFAOYSA-N 1 3 230.352 1.293 20 0 BDADHO CCCCCN(CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904307077 584861759 /nfs/dbraw/zinc/86/17/59/584861759.db2.gz KCHZTUKAJROQFC-CQSZACIVSA-N 1 3 242.407 1.861 20 0 BDADHO CCCCC[N@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904307077 584861760 /nfs/dbraw/zinc/86/17/60/584861760.db2.gz KCHZTUKAJROQFC-CQSZACIVSA-N 1 3 242.407 1.861 20 0 BDADHO CCCCC[N@@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904307077 584861761 /nfs/dbraw/zinc/86/17/61/584861761.db2.gz KCHZTUKAJROQFC-CQSZACIVSA-N 1 3 242.407 1.861 20 0 BDADHO C[C@]1(C[NH+]2CCC(CO)CC2)CCCNC1 ZINC000904306694 584861857 /nfs/dbraw/zinc/86/18/57/584861857.db2.gz CYSFISOCADANRR-ZDUSSCGKSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@H](O)[C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328240 584865241 /nfs/dbraw/zinc/86/52/41/584865241.db2.gz BSFIKTOZJSTUDJ-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904328240 584865242 /nfs/dbraw/zinc/86/52/42/584865242.db2.gz BSFIKTOZJSTUDJ-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904328240 584865243 /nfs/dbraw/zinc/86/52/43/584865243.db2.gz BSFIKTOZJSTUDJ-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904331755 584866121 /nfs/dbraw/zinc/86/61/21/584866121.db2.gz LHPOSULYCINRKK-YNEHKIRRSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904331755 584866122 /nfs/dbraw/zinc/86/61/22/584866122.db2.gz LHPOSULYCINRKK-YNEHKIRRSA-N 1 3 242.407 1.843 20 0 BDADHO Cc1ccncc1CN(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341969 584867462 /nfs/dbraw/zinc/86/74/62/584867462.db2.gz SMONMZPLKSFWGT-BJHJDKERSA-N 1 3 219.332 1.559 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)[C@@H]1CO ZINC000904341775 584867549 /nfs/dbraw/zinc/86/75/49/584867549.db2.gz VUXOFVRSZGRCBV-FRRDWIJNSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)[C@@H]1CO ZINC000904341775 584867550 /nfs/dbraw/zinc/86/75/50/584867550.db2.gz VUXOFVRSZGRCBV-FRRDWIJNSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2CN1 ZINC000904358728 584872321 /nfs/dbraw/zinc/87/23/21/584872321.db2.gz RTDGROVWNAXWRQ-SGMGOOAPSA-N 1 3 245.370 1.722 20 0 BDADHO Nc1ccc2c(c1)CN(C1CC(C[NH3+])C1)CCO2 ZINC000904385695 584877636 /nfs/dbraw/zinc/87/76/36/584877636.db2.gz BTNARFGOXPLCBW-UHFFFAOYSA-N 1 3 247.342 1.201 20 0 BDADHO Cc1noc(C)c1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000842471556 584897666 /nfs/dbraw/zinc/89/76/66/584897666.db2.gz ISJZWZVIHGLQND-GFCCVEGCSA-N 1 3 237.347 1.723 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016177 /nfs/dbraw/zinc/01/61/77/585016177.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016178 /nfs/dbraw/zinc/01/61/78/585016178.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016179 /nfs/dbraw/zinc/01/61/79/585016179.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@H]2CC[C@H](OC)C2)C1 ZINC000821386128 585016180 /nfs/dbraw/zinc/01/61/80/585016180.db2.gz IWWLWPDNHFTZCL-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CCOC(=O)CC(C)(C)CNCCC[NH+](C)C ZINC000838893552 585078982 /nfs/dbraw/zinc/07/89/82/585078982.db2.gz XHJCISLAXQPERS-UHFFFAOYSA-N 1 3 244.379 1.507 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886830618 585180820 /nfs/dbraw/zinc/18/08/20/585180820.db2.gz VEBGOQKZNVYOEL-CRWXNKLISA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886830618 585180821 /nfs/dbraw/zinc/18/08/21/585180821.db2.gz VEBGOQKZNVYOEL-CRWXNKLISA-N 1 3 238.375 1.472 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000749146064 585199989 /nfs/dbraw/zinc/19/99/89/585199989.db2.gz CVPMSDDUGXHPQQ-LLVKDONJSA-N 1 3 249.362 1.145 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(c2cc(C)nc(N)n2)C1 ZINC000749146064 585199990 /nfs/dbraw/zinc/19/99/90/585199990.db2.gz CVPMSDDUGXHPQQ-LLVKDONJSA-N 1 3 249.362 1.145 20 0 BDADHO C[C@H](CCO)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000753767874 585268504 /nfs/dbraw/zinc/26/85/04/585268504.db2.gz GGYIOUJCQMVNIP-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CCO)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000753767874 585268505 /nfs/dbraw/zinc/26/85/05/585268505.db2.gz GGYIOUJCQMVNIP-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO CCN1C[C@@H](C)N(CC[NH+]2CCCC2)C[C@H]1C ZINC000766254403 585499427 /nfs/dbraw/zinc/49/94/27/585499427.db2.gz QAAQCXOZTDBHST-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H]1CCCN1CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000766271877 585500370 /nfs/dbraw/zinc/50/03/70/585500370.db2.gz GTDXRIDGWBNNEH-MJBXVCDLSA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000783646604 585839267 /nfs/dbraw/zinc/83/92/67/585839267.db2.gz DYDSMIOERCFAGY-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CC[C@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)N(C)C ZINC000840344940 586815253 /nfs/dbraw/zinc/81/52/53/586815253.db2.gz MWPATCXORKBGRV-VXGBXAGGSA-N 1 3 243.395 1.029 20 0 BDADHO c1ccc2c(c1)C[C@@H](C[NH2+]C1CCNCC1)CO2 ZINC000817892636 586833054 /nfs/dbraw/zinc/83/30/54/586833054.db2.gz VTDCKOGZGZXMEU-LBPRGKRZSA-N 1 3 246.354 1.579 20 0 BDADHO c1ccc2c(c1)C[C@@H](CNC1CC[NH2+]CC1)CO2 ZINC000817892636 586833056 /nfs/dbraw/zinc/83/30/56/586833056.db2.gz VTDCKOGZGZXMEU-LBPRGKRZSA-N 1 3 246.354 1.579 20 0 BDADHO CCc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])n[nH]1 ZINC000817893771 586833675 /nfs/dbraw/zinc/83/36/75/586833675.db2.gz VMWFPFLUSFWZLN-MFKMUULPSA-N 1 3 236.363 1.579 20 0 BDADHO CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000817893233 586833718 /nfs/dbraw/zinc/83/37/18/586833718.db2.gz CZJQTYLBJVVSLX-RWMBFGLXSA-N 1 3 228.380 1.909 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000817898066 586834830 /nfs/dbraw/zinc/83/48/30/586834830.db2.gz ZFGCFWMVZBDKMA-XWLWVQCSSA-N 1 3 216.394 1.986 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CSCCS1 ZINC000817897800 586835014 /nfs/dbraw/zinc/83/50/14/586835014.db2.gz BCKRLOSKGYZCIX-GUBZILKMSA-N 1 3 234.434 1.550 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@@H]2CNCC[C@@H]2C)cc1 ZINC000817895629 586835202 /nfs/dbraw/zinc/83/52/02/586835202.db2.gz WNWNZJBAJJFWLE-SLEUVZQESA-N 1 3 248.370 1.828 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901476 586836211 /nfs/dbraw/zinc/83/62/11/586836211.db2.gz WJSJJCPPFBXZBD-OLZOCXBDSA-N 1 3 219.332 1.568 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000817904125 586837542 /nfs/dbraw/zinc/83/75/42/586837542.db2.gz UZBGNCXUQDINIC-RWMBFGLXSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000817904125 586837544 /nfs/dbraw/zinc/83/75/44/586837544.db2.gz UZBGNCXUQDINIC-RWMBFGLXSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1N)c1ccsc1 ZINC000817911506 586838314 /nfs/dbraw/zinc/83/83/14/586838314.db2.gz BSZYAMGKZCWWHT-UTUOFQBUSA-N 1 3 240.372 1.425 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@](C)(O)c1cccs1 ZINC000817911452 586838612 /nfs/dbraw/zinc/83/86/12/586838612.db2.gz AQSAXXHTWJWXEY-HOSYDEDBSA-N 1 3 242.388 1.671 20 0 BDADHO C[C@@H](NCCN1CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912781 586838661 /nfs/dbraw/zinc/83/86/61/586838661.db2.gz IONVZQXFYKGTBY-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO Cc1ncc(CC[NH2+][C@H]2CCC[C@@H]2CN)s1 ZINC000817916401 586838819 /nfs/dbraw/zinc/83/88/19/586838819.db2.gz XYLKDCZSWSOQBU-PWSUYJOCSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncc(CCN[C@H]2CCC[C@@H]2C[NH3+])s1 ZINC000817916401 586838821 /nfs/dbraw/zinc/83/88/21/586838821.db2.gz XYLKDCZSWSOQBU-PWSUYJOCSA-N 1 3 239.388 1.711 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@](C)(O)c1ccsc1 ZINC000817913933 586839107 /nfs/dbraw/zinc/83/91/07/586839107.db2.gz RLZLJWQBOZDVDG-NHCYSSNCSA-N 1 3 242.388 1.671 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccco1 ZINC000817913852 586839169 /nfs/dbraw/zinc/83/91/69/586839169.db2.gz NGIDLANOKYUCIU-AXFHLTTASA-N 1 3 210.321 1.926 20 0 BDADHO C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cnccc1N ZINC000817913308 586839233 /nfs/dbraw/zinc/83/92/33/586839233.db2.gz NLNWRHMZOAMETA-VXGBXAGGSA-N 1 3 248.374 1.629 20 0 BDADHO Cc1ncc(CC[NH2+][C@H]2CCC[C@H]2CN)s1 ZINC000817916397 586839312 /nfs/dbraw/zinc/83/93/12/586839312.db2.gz XYLKDCZSWSOQBU-JQWIXIFHSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncc(CCN[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000817916397 586839315 /nfs/dbraw/zinc/83/93/15/586839315.db2.gz XYLKDCZSWSOQBU-JQWIXIFHSA-N 1 3 239.388 1.711 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCc3n[nH]cc32)C1 ZINC000817970021 586856210 /nfs/dbraw/zinc/85/62/10/586856210.db2.gz JNWAIHLIPFLACX-JFGNBEQYSA-N 1 3 234.347 1.647 20 0 BDADHO C[C@H](C[NH2+]C[C@H](O)C1CC1)CN1CCCCC1 ZINC000818968937 586918135 /nfs/dbraw/zinc/91/81/35/586918135.db2.gz GSXVEKLRSHZRAO-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](CNC[C@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000818968937 586918137 /nfs/dbraw/zinc/91/81/37/586918137.db2.gz GSXVEKLRSHZRAO-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO COCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000863644077 589306771 /nfs/dbraw/zinc/30/67/71/589306771.db2.gz JIRCUDKJNPNGLY-GHMZBOCLSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](CCCC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000834785491 587767028 /nfs/dbraw/zinc/76/70/28/587767028.db2.gz CPKWZVKUIPOSMA-NSHDSACASA-N 1 3 249.358 1.393 20 0 BDADHO C[NH2+]CCCN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841042648 587938685 /nfs/dbraw/zinc/93/86/85/587938685.db2.gz OMNAUTFPNWHXCB-MXWKQRLJSA-N 1 3 246.445 1.565 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841042648 587938687 /nfs/dbraw/zinc/93/86/87/587938687.db2.gz OMNAUTFPNWHXCB-MXWKQRLJSA-N 1 3 246.445 1.565 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000841848425 587977393 /nfs/dbraw/zinc/97/73/93/587977393.db2.gz KVOWYQQPLFPFKQ-CYBMUJFWSA-N 1 3 249.358 1.393 20 0 BDADHO CC[C@@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000841848562 587977892 /nfs/dbraw/zinc/97/78/92/587977892.db2.gz MHHGTXULQMRMPT-GFCCVEGCSA-N 1 3 247.342 1.162 20 0 BDADHO CC1(C)CNCCN1C(=O)CCCCCC[NH3+] ZINC000841848799 587978009 /nfs/dbraw/zinc/97/80/09/587978009.db2.gz DCPVSBZSIGUEJW-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CNC(=O)[C@@H]1CCCN1CCCCCCC[NH3+] ZINC000842471854 588029237 /nfs/dbraw/zinc/02/92/37/588029237.db2.gz DDVMOHRCCOPJOA-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO c1ccc([C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113927 588082169 /nfs/dbraw/zinc/08/21/69/588082169.db2.gz BOCOUEUZNCGUQY-ZIAGYGMSSA-N 1 3 245.370 1.871 20 0 BDADHO Fc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843339649 588100725 /nfs/dbraw/zinc/10/07/25/588100725.db2.gz CFLDXBRNCCZGSF-CYZMBNFOSA-N 1 3 249.333 1.698 20 0 BDADHO [NH3+]CCCCCCN1CCNC[C@H]1C(F)F ZINC000846220539 588261288 /nfs/dbraw/zinc/26/12/88/588261288.db2.gz KAHWHUUYQSMPJO-JTQLQIEISA-N 1 3 235.322 1.044 20 0 BDADHO Cc1ccc(CNC(=[NH2+])NCCCN(C)C)cc1 ZINC000848980410 588423181 /nfs/dbraw/zinc/42/31/81/588423181.db2.gz JTFFLECRTMLNCP-UHFFFAOYSA-N 1 3 248.374 1.561 20 0 BDADHO CC(C)CNC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004171 588431560 /nfs/dbraw/zinc/43/15/60/588431560.db2.gz DMGNTTDKVOOLON-NSHDSACASA-N 1 3 226.368 1.098 20 0 BDADHO C[C@H](CCO)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538886 588558592 /nfs/dbraw/zinc/55/85/92/588558592.db2.gz NSZBHXSOVCJYJW-CHWSQXEVSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@H](CCO)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538886 588558594 /nfs/dbraw/zinc/55/85/94/588558594.db2.gz NSZBHXSOVCJYJW-CHWSQXEVSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+][C@@H]2CCN[C@H]2C)CCO1 ZINC000863486628 589293175 /nfs/dbraw/zinc/29/31/75/589293175.db2.gz BISCXHXFCKUFSF-ZDEQEGDKSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1cncc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000863542911 589297065 /nfs/dbraw/zinc/29/70/65/589297065.db2.gz UIONVEPICDNLEI-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO C[C@H]1C[C@H]1NC(=[NH2+])NCC(C)(C)CN(C)C ZINC000864451156 589364563 /nfs/dbraw/zinc/36/45/63/589364563.db2.gz DMIPCNNCTBJDPT-VHSXEESVSA-N 1 3 226.368 1.097 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(CCCC1CC1)C2 ZINC000866668684 589510105 /nfs/dbraw/zinc/51/01/05/589510105.db2.gz ICXIQMNESWLGRH-OLZOCXBDSA-N 1 3 208.349 1.990 20 0 BDADHO C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCOC1 ZINC000873234561 590004041 /nfs/dbraw/zinc/00/40/41/590004041.db2.gz GNTUYUOADFEBQQ-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@H]1CCOC1 ZINC000873234557 590004408 /nfs/dbraw/zinc/00/44/08/590004408.db2.gz GNTUYUOADFEBQQ-AVGNSLFASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252927 590009029 /nfs/dbraw/zinc/00/90/29/590009029.db2.gz SNLLAPXVUIPTFQ-XWUBHJNHSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnccn1 ZINC000873259956 590013635 /nfs/dbraw/zinc/01/36/35/590013635.db2.gz PEOSAFBDJMYMMI-RVMXOQNASA-N 1 3 246.358 1.658 20 0 BDADHO C[C@@H](N[C@H](C)C1CC[NH2+]CC1)c1cnccn1 ZINC000873265603 590015118 /nfs/dbraw/zinc/01/51/18/590015118.db2.gz OPVNVBKZJVXNQT-GHMZBOCLSA-N 1 3 234.347 1.515 20 0 BDADHO C[C@@H](N[C@@H]1CCn2ccnc21)C1CC[NH2+]CC1 ZINC000873268962 590015410 /nfs/dbraw/zinc/01/54/10/590015410.db2.gz BLNDJECHIZZINU-ZYHUDNBSSA-N 1 3 234.347 1.306 20 0 BDADHO Cc1nccnc1[C@@H](C)N[C@@H](C)C1CC[NH2+]CC1 ZINC000873271183 590016339 /nfs/dbraw/zinc/01/63/39/590016339.db2.gz FVDZGDZHSUEWPZ-CMPLNLGQSA-N 1 3 248.374 1.824 20 0 BDADHO C[C@H](NC1([C@@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873275996 590017596 /nfs/dbraw/zinc/01/75/96/590017596.db2.gz PRAVLRVPEFBFJR-AAEUAGOBSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)C1CNC1 ZINC000873275996 590017599 /nfs/dbraw/zinc/01/75/99/590017599.db2.gz PRAVLRVPEFBFJR-AAEUAGOBSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCC1CCC1 ZINC000873283125 590019405 /nfs/dbraw/zinc/01/94/05/590019405.db2.gz ZDEWKWABDZUCTH-WCFLWFBJSA-N 1 3 226.364 1.519 20 0 BDADHO Nc1cc(F)cc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000873288912 590022236 /nfs/dbraw/zinc/02/22/36/590022236.db2.gz CGGPXGNYYOJYLR-MFKMUULPSA-N 1 3 237.322 1.625 20 0 BDADHO C[C@H]1CC[C@@H](NC(=O)c2cccc(CN)c2)C[NH2+]1 ZINC000877052205 590274634 /nfs/dbraw/zinc/27/46/34/590274634.db2.gz QGHHCRZUFLRLRG-GXFFZTMASA-N 1 3 247.342 1.016 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)[C@H](N)C1CCC1 ZINC000877437806 590328259 /nfs/dbraw/zinc/32/82/59/590328259.db2.gz WSYPZSSRECHSIA-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1)C1CC1 ZINC000877741387 590409707 /nfs/dbraw/zinc/40/97/07/590409707.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1)C1CC1 ZINC000877741387 590409710 /nfs/dbraw/zinc/40/97/10/590409710.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741387 590409713 /nfs/dbraw/zinc/40/97/13/590409713.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741387 590409715 /nfs/dbraw/zinc/40/97/15/590409715.db2.gz VLNLIRDDHFYOLF-MGPQQGTHSA-N 1 3 238.375 1.437 20 0 BDADHO C[C@H](CCO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000127207702 590593586 /nfs/dbraw/zinc/59/35/86/590593586.db2.gz QYBNLFPNENWMPS-LLVKDONJSA-N 1 3 228.380 1.610 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000879573795 590812430 /nfs/dbraw/zinc/81/24/30/590812430.db2.gz RQVHPTOFXJPRHP-NWDGAFQWSA-N 1 3 226.440 1.890 20 0 BDADHO C[N@H+]1CC[C@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000879573795 590812431 /nfs/dbraw/zinc/81/24/31/590812431.db2.gz RQVHPTOFXJPRHP-NWDGAFQWSA-N 1 3 226.440 1.890 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813168 /nfs/dbraw/zinc/81/31/68/590813168.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813172 /nfs/dbraw/zinc/81/31/72/590813172.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813173 /nfs/dbraw/zinc/81/31/73/590813173.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCCn3ccnc3)CC[C@@H]21 ZINC000879577842 590813175 /nfs/dbraw/zinc/81/31/75/590813175.db2.gz MXWCKGPUVHOSOI-KGLIPLIRSA-N 1 3 248.374 1.299 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148328 590946392 /nfs/dbraw/zinc/94/63/92/590946392.db2.gz VNKYGAGQPGOQMO-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148328 590946394 /nfs/dbraw/zinc/94/63/94/590946394.db2.gz VNKYGAGQPGOQMO-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO COC[C@@H](C)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259709 590980034 /nfs/dbraw/zinc/98/00/34/590980034.db2.gz ZNZWPALFQOLHSA-CHWSQXEVSA-N 1 3 249.358 1.627 20 0 BDADHO CC(C)OCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880470824 591052009 /nfs/dbraw/zinc/05/20/09/591052009.db2.gz NKMQQRREEYZHFQ-UHFFFAOYSA-N 1 3 240.391 1.972 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000883354094 591625217 /nfs/dbraw/zinc/62/52/17/591625217.db2.gz KOZOXNPXFWJGDI-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883354094 591625221 /nfs/dbraw/zinc/62/52/21/591625221.db2.gz KOZOXNPXFWJGDI-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883354094 591625223 /nfs/dbraw/zinc/62/52/23/591625223.db2.gz KOZOXNPXFWJGDI-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO C[N@H+](CC[C@H]1CCCC1(F)F)C[C@@H](O)CN ZINC000883430108 591661503 /nfs/dbraw/zinc/66/15/03/591661503.db2.gz NHOZWILPWWWEAR-ZJUUUORDSA-N 1 3 236.306 1.063 20 0 BDADHO C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@@H](O)CN ZINC000883430108 591661505 /nfs/dbraw/zinc/66/15/05/591661505.db2.gz NHOZWILPWWWEAR-ZJUUUORDSA-N 1 3 236.306 1.063 20 0 BDADHO CN(CC[C@H]1CCCC1(F)F)C[C@@H](O)C[NH3+] ZINC000883430108 591661507 /nfs/dbraw/zinc/66/15/07/591661507.db2.gz NHOZWILPWWWEAR-ZJUUUORDSA-N 1 3 236.306 1.063 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CCC2(CCC2)O1 ZINC000883434160 591664236 /nfs/dbraw/zinc/66/42/36/591664236.db2.gz IOZMATXKECZODW-YNEHKIRRSA-N 1 3 238.375 1.948 20 0 BDADHO [NH3+]CCCN1Cc2ccccc2N2CCC[C@H]2C1 ZINC000883462357 591673591 /nfs/dbraw/zinc/67/35/91/591673591.db2.gz PFSGWDUKOIMASP-AWEZNQCLSA-N 1 3 245.370 1.820 20 0 BDADHO NCCC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462047 591674117 /nfs/dbraw/zinc/67/41/17/591674117.db2.gz IWLZUNSVYCTBDS-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO NCCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000883462047 591674121 /nfs/dbraw/zinc/67/41/21/591674121.db2.gz IWLZUNSVYCTBDS-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO CN[C@@H](CC(C)C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000884007304 591795065 /nfs/dbraw/zinc/79/50/65/591795065.db2.gz WOYYRIKSKBTYJD-ZDUSSCGKSA-N 1 3 249.358 1.718 20 0 BDADHO CC[S@@](=O)CC[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000133515880 591811059 /nfs/dbraw/zinc/81/10/59/591811059.db2.gz ORKNYLYHYDNCLK-ZBEGNZNMSA-N 1 3 246.420 1.075 20 0 BDADHO CC(C)C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219260052 592220611 /nfs/dbraw/zinc/22/06/11/592220611.db2.gz NLNUIYOLEICCJY-GSPSYOTPSA-N 1 3 240.391 1.608 20 0 BDADHO CC(C)C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219260052 592220613 /nfs/dbraw/zinc/22/06/13/592220613.db2.gz NLNUIYOLEICCJY-GSPSYOTPSA-N 1 3 240.391 1.608 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886839844 592359885 /nfs/dbraw/zinc/35/98/85/592359885.db2.gz NGVKUTUNNVNHHS-SGMGOOAPSA-N 1 3 238.375 1.391 20 0 BDADHO C[C@@H]1CC[N@H+](CCCCCCO)C[C@H]1CN ZINC000300334355 592507092 /nfs/dbraw/zinc/50/70/92/592507092.db2.gz HZCTXNOLPAMVSO-CHWSQXEVSA-N 1 3 228.380 1.456 20 0 BDADHO C[C@@H]1CC[N@@H+](CCCCCCO)C[C@H]1CN ZINC000300334355 592507093 /nfs/dbraw/zinc/50/70/93/592507093.db2.gz HZCTXNOLPAMVSO-CHWSQXEVSA-N 1 3 228.380 1.456 20 0 BDADHO C[C@@H]1CCN(CCCCCCO)C[C@H]1C[NH3+] ZINC000300334355 592507094 /nfs/dbraw/zinc/50/70/94/592507094.db2.gz HZCTXNOLPAMVSO-CHWSQXEVSA-N 1 3 228.380 1.456 20 0 BDADHO CC[C@@H](O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710088 634408139 /nfs/dbraw/zinc/40/81/39/634408139.db2.gz PYZSHYKFKBQSEA-WYUUTHIRSA-N 1 3 226.364 1.124 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925710088 634408142 /nfs/dbraw/zinc/40/81/42/634408142.db2.gz PYZSHYKFKBQSEA-WYUUTHIRSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H]([NH2+]CC1(CC2CC2)CC1)C1CNC1 ZINC000925734186 634581517 /nfs/dbraw/zinc/58/15/17/634581517.db2.gz OABLOOFXCIXVCH-JTQLQIEISA-N 1 3 208.349 1.764 20 0 BDADHO CSC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000235116607 631983343 /nfs/dbraw/zinc/98/33/43/631983343.db2.gz ZILWMZWCUSNJNF-QWRGUYRKSA-N 1 3 228.405 1.989 20 0 BDADHO CSC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCC1 ZINC000235119125 632009222 /nfs/dbraw/zinc/00/92/22/632009222.db2.gz FKSAEPXIZDGFJO-MNOVXSKESA-N 1 3 228.405 1.989 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@@H]1CCOC1 ZINC000158482404 632472434 /nfs/dbraw/zinc/47/24/34/632472434.db2.gz LVBNIXRGCOLEEF-UMSGYPCISA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C[C@H]1CCOC1)CN(C)C ZINC000309746008 632663852 /nfs/dbraw/zinc/66/38/52/632663852.db2.gz JDOGKEOYIYTMEH-FRRDWIJNSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H](O)[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000309978970 632688581 /nfs/dbraw/zinc/68/85/81/632688581.db2.gz VIEBZKSPQHSMDE-WDEREUQCSA-N 1 3 228.380 1.608 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+](C)C2CCC([NH3+])CC2)n1 ZINC000091996244 632774286 /nfs/dbraw/zinc/77/42/86/632774286.db2.gz DUEBWTJYWNURLV-UHFFFAOYSA-N 1 3 249.358 1.797 20 0 BDADHO Cc1ccc([O-])c(C[N@H+](C)C2CCC([NH3+])CC2)n1 ZINC000091996244 632774297 /nfs/dbraw/zinc/77/42/97/632774297.db2.gz DUEBWTJYWNURLV-UHFFFAOYSA-N 1 3 249.358 1.797 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229621679 632982842 /nfs/dbraw/zinc/98/28/42/632982842.db2.gz RSUHEZZYLHZUQD-MJBXVCDLSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229621679 632982844 /nfs/dbraw/zinc/98/28/44/632982844.db2.gz RSUHEZZYLHZUQD-MJBXVCDLSA-N 1 3 240.391 1.610 20 0 BDADHO CCC[C@H](C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328423285 633763028 /nfs/dbraw/zinc/76/30/28/633763028.db2.gz KQBNTMHDPNSVPN-MCDVFOBDSA-N 1 3 208.349 1.761 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CC1 ZINC000925537418 633940736 /nfs/dbraw/zinc/94/07/36/633940736.db2.gz XIPVYYQAMPLHND-WOPDTQHZSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H](O)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925610644 634149251 /nfs/dbraw/zinc/14/92/51/634149251.db2.gz IPBKKDKOVLQIOX-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](O)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925610644 634149252 /nfs/dbraw/zinc/14/92/52/634149252.db2.gz IPBKKDKOVLQIOX-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2CCC[NH2+][C@H]2C)n[nH]1 ZINC000925617675 634166510 /nfs/dbraw/zinc/16/65/10/634166510.db2.gz DXDHQFXQCIBDGY-GAFUQQFSSA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2CCC[NH2+][C@H]2C)[nH]n1 ZINC000925617675 634166512 /nfs/dbraw/zinc/16/65/12/634166512.db2.gz DXDHQFXQCIBDGY-GAFUQQFSSA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCN[C@H]2C)[nH]n1 ZINC000925617675 634166515 /nfs/dbraw/zinc/16/65/15/634166515.db2.gz DXDHQFXQCIBDGY-GAFUQQFSSA-N 1 3 236.363 1.379 20 0 BDADHO CC1(C)[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C[C@@H]1O ZINC000925647518 634202257 /nfs/dbraw/zinc/20/22/57/634202257.db2.gz ZMPBHEYYNVTNIR-KXNHARMFSA-N 1 3 240.391 1.641 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2C[C@@H](N)C23CCC3)cn1 ZINC000925683696 634288185 /nfs/dbraw/zinc/28/81/85/634288185.db2.gz AHLWDJAXMQPZIM-OLZOCXBDSA-N 1 3 246.358 1.187 20 0 BDADHO COC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523824 634344677 /nfs/dbraw/zinc/34/46/77/634344677.db2.gz DKTIHLPDDWBLLX-WAAKLRNESA-N 1 3 212.337 1.236 20 0 BDADHO COC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523824 634344682 /nfs/dbraw/zinc/34/46/82/634344682.db2.gz DKTIHLPDDWBLLX-WAAKLRNESA-N 1 3 212.337 1.236 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925699631 634368540 /nfs/dbraw/zinc/36/85/40/634368540.db2.gz LJTZWHLLBDHZKI-AAVRWANBSA-N 1 3 240.391 1.779 20 0 BDADHO COc1ccc(CNCCC(C)(C)[NH3+])cc1 ZINC000258991602 635230710 /nfs/dbraw/zinc/23/07/10/635230710.db2.gz VZBAMALDHOHPLM-UHFFFAOYSA-N 1 3 222.332 1.912 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000925784360 635299193 /nfs/dbraw/zinc/29/91/93/635299193.db2.gz MWRBHYTYYDEFIU-ZYHUDNBSSA-N 1 3 208.349 1.907 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000925856500 635548028 /nfs/dbraw/zinc/54/80/28/635548028.db2.gz JPUIMLILGKTPPC-GARJFASQSA-N 1 3 200.326 1.007 20 0 BDADHO CON1CCC([NH2+]CCCN(C)C(C)C)CC1 ZINC000323462571 636967509 /nfs/dbraw/zinc/96/75/09/636967509.db2.gz HRCKUDFMXPPBRB-UHFFFAOYSA-N 1 3 243.395 1.332 20 0 BDADHO CCN1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000041227182 636976906 /nfs/dbraw/zinc/97/69/06/636976906.db2.gz ZFTSHHACFZWVSW-UHFFFAOYSA-N 1 3 213.369 1.012 20 0 BDADHO COC(=O)c1ccc(C[NH2+]CC2(N)CC2)cc1C ZINC000904444854 637413136 /nfs/dbraw/zinc/41/31/36/637413136.db2.gz SYCKVGADMXGDJI-UHFFFAOYSA-N 1 3 248.326 1.363 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911722406 639744408 /nfs/dbraw/zinc/74/44/08/639744408.db2.gz ROHWDKYAIUTFCC-SRVKXCTJSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H](C1CC1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000931076044 640057811 /nfs/dbraw/zinc/05/78/11/640057811.db2.gz MWLNFGIUDMBZGI-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)OC ZINC000931317053 640143621 /nfs/dbraw/zinc/14/36/21/640143621.db2.gz MNQAMVPLZCLQRE-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO C[NH+]1C[C@]2(C)CN(CC3(C)COC3)C[C@@]2(C)C1 ZINC000931312428 640148462 /nfs/dbraw/zinc/14/84/62/640148462.db2.gz XLJYRZCTLLIITD-ZIAGYGMSSA-N 1 3 238.375 1.297 20 0 BDADHO CO[C@H]1CC[C@H]([N@@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435614 640203860 /nfs/dbraw/zinc/20/38/60/640203860.db2.gz BVHLQKKKNZAMSU-CRWXNKLISA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H]1CC[C@H]([N@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435614 640203865 /nfs/dbraw/zinc/20/38/65/640203865.db2.gz BVHLQKKKNZAMSU-CRWXNKLISA-N 1 3 238.375 1.437 20 0 BDADHO CC[C@H](CO)[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000931752475 640349366 /nfs/dbraw/zinc/34/93/66/640349366.db2.gz MTNQTNVFPFTXPC-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000157452340 640685344 /nfs/dbraw/zinc/68/53/44/640685344.db2.gz SSZWOUTVAVIEGE-RDBSUJKOSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000157452340 640685348 /nfs/dbraw/zinc/68/53/48/640685348.db2.gz SSZWOUTVAVIEGE-RDBSUJKOSA-N 1 3 236.359 1.896 20 0 BDADHO COCCCN(C)CCC[NH2+]C1CC1 ZINC000062034014 641016594 /nfs/dbraw/zinc/01/65/94/641016594.db2.gz YQVDNAVCCJIXBO-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCSC1)CN1CCCC1 ZINC000062077972 641017697 /nfs/dbraw/zinc/01/76/97/641017697.db2.gz NQXHLOLIGDCGFR-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@]1(CNC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062862299 641102043 /nfs/dbraw/zinc/10/20/43/641102043.db2.gz CKQGKNZSKRGYIF-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@@H](O)CC2CCCC2)C1 ZINC000232148468 641249829 /nfs/dbraw/zinc/24/98/29/641249829.db2.gz SZVOCQACKZHWRI-KGLIPLIRSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2COCC2(C)C)C1 ZINC000313009958 641525633 /nfs/dbraw/zinc/52/56/33/641525633.db2.gz SZRFUBPNDZCFPW-CHWSQXEVSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2COCC2(C)C)C1 ZINC000313009958 641525639 /nfs/dbraw/zinc/52/56/39/641525639.db2.gz SZRFUBPNDZCFPW-CHWSQXEVSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313009958 641525647 /nfs/dbraw/zinc/52/56/47/641525647.db2.gz SZRFUBPNDZCFPW-CHWSQXEVSA-N 1 3 240.391 1.731 20 0 BDADHO CCN1CCN(CCC[NH2+]CC(C)C)CC1 ZINC000047892519 641665932 /nfs/dbraw/zinc/66/59/32/641665932.db2.gz VMXVUPDKPQGZBZ-UHFFFAOYSA-N 1 3 227.396 1.260 20 0 BDADHO CC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCOCC1 ZINC000233028025 642646490 /nfs/dbraw/zinc/64/64/90/642646490.db2.gz RESQARMMQDRHCN-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO CCO[C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000233754111 642690745 /nfs/dbraw/zinc/69/07/45/642690745.db2.gz HAGJFAPKIIXKGO-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]C2CCNCC2)C1(C)C ZINC000233768715 642694640 /nfs/dbraw/zinc/69/46/40/642694640.db2.gz DCYAHDZGSJRFIQ-NEPJUHHUSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000233782982 642695262 /nfs/dbraw/zinc/69/52/62/642695262.db2.gz IIASQRCDESJCGX-NXEZZACHSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@]1(C[NH2+]CC2CCOCC2)CCCNC1 ZINC000414912581 643085593 /nfs/dbraw/zinc/08/55/93/643085593.db2.gz VGJAULFRBFTIFL-ZDUSSCGKSA-N 1 3 226.364 1.392 20 0 BDADHO C[C@@H]([NH3+])C1CCN(C/C=C/Cl)CC1 ZINC000082474969 643319281 /nfs/dbraw/zinc/31/92/81/643319281.db2.gz BLFRYMJAYWTYSO-OSOUNJMWSA-N 1 3 202.729 1.798 20 0 BDADHO Cc1cc(NC2CC[NH+](C3CC3)CC2)nc(N)n1 ZINC000043534113 643527342 /nfs/dbraw/zinc/52/73/42/643527342.db2.gz AEXJBLQMZFJIMP-UHFFFAOYSA-N 1 3 247.346 1.406 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921580681 643614192 /nfs/dbraw/zinc/61/41/92/643614192.db2.gz FPVIZJXWTSZWPK-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921580681 643614201 /nfs/dbraw/zinc/61/42/01/643614201.db2.gz FPVIZJXWTSZWPK-ZDUSSCGKSA-N 1 3 249.358 1.609 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccsc1 ZINC000084221814 643650294 /nfs/dbraw/zinc/65/02/94/643650294.db2.gz BMEHSTKLWRZWMZ-GHMZBOCLSA-N 1 3 210.346 1.965 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084217111 643650561 /nfs/dbraw/zinc/65/05/61/643650561.db2.gz WEOMTNRBDDMMPF-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@H](CNCc1cc[nH]c(=O)c1)C[NH+](C)C ZINC000922139425 643870267 /nfs/dbraw/zinc/87/02/67/643870267.db2.gz ICVVKNBALLBFFN-SNVBAGLBSA-N 1 3 223.320 1.075 20 0 BDADHO C[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)CN(C)C ZINC000922139425 643870270 /nfs/dbraw/zinc/87/02/70/643870270.db2.gz ICVVKNBALLBFFN-SNVBAGLBSA-N 1 3 223.320 1.075 20 0 BDADHO CCCCCC[C@H](O)CN(C)CCC[NH3+] ZINC000923291763 644330471 /nfs/dbraw/zinc/33/04/71/644330471.db2.gz RUZMPYOEIPVMOH-LBPRGKRZSA-N 1 3 216.369 1.598 20 0 BDADHO C[C@H](NC(CN)C[NH3+])c1ccc2ccccc2c1 ZINC000923351390 644367988 /nfs/dbraw/zinc/36/79/88/644367988.db2.gz KLCLRVUWVQJENE-NSHDSACASA-N 1 3 243.354 1.776 20 0 BDADHO CC[C@H](NC(CN)C[NH3+])c1ccc(F)cc1 ZINC000923351864 644369888 /nfs/dbraw/zinc/36/98/88/644369888.db2.gz OTTRLXDPEGCZNQ-LBPRGKRZSA-N 1 3 225.311 1.152 20 0 BDADHO c1ccc([C@H]2C[C@H]2N2CCNCC[NH2+]CC2)cc1 ZINC000923459740 644435251 /nfs/dbraw/zinc/43/52/51/644435251.db2.gz DXKULICPHFKDMR-HUUCEWRRSA-N 1 3 245.370 1.037 20 0 BDADHO Cc1cccc(C)c1CN1CCNCC[NH2+]CC1 ZINC000923461164 644447380 /nfs/dbraw/zinc/44/73/80/644447380.db2.gz MTVQJRAPAFVBPQ-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO Cc1cccc(C)c1C[NH+]1CCNCCNCC1 ZINC000923461164 644447384 /nfs/dbraw/zinc/44/73/84/644447384.db2.gz MTVQJRAPAFVBPQ-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO Cc1nccnc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923491031 644465994 /nfs/dbraw/zinc/46/59/94/644465994.db2.gz QBAUHZNULNOFKG-ZYHUDNBSSA-N 1 3 234.347 1.202 20 0 BDADHO CC1(C)CO[C@@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000923515841 644479664 /nfs/dbraw/zinc/47/96/64/644479664.db2.gz OFXMKFZGWCXZGU-YNEHKIRRSA-N 1 3 238.375 1.343 20 0 BDADHO CC(C)C[C@@H]1CN(C)CCN1C[C@H]1CC[NH2+]C1 ZINC000923557677 644501290 /nfs/dbraw/zinc/50/12/90/644501290.db2.gz NESZQLVPTCYHNN-UONOGXRCSA-N 1 3 239.407 1.258 20 0 BDADHO c1cnn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452813 644691616 /nfs/dbraw/zinc/69/16/16/644691616.db2.gz LMZKQSRGHPFMTO-MJBXVCDLSA-N 1 3 248.374 1.393 20 0 BDADHO CCN1CC[C@H]([NH2+][C@H]2CCN(C)C2)[C@@H](C)C1 ZINC000252709387 644887752 /nfs/dbraw/zinc/88/77/52/644887752.db2.gz CTSPHQPWKALSII-AVGNSLFASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)C1CNC1 ZINC000844926634 645350390 /nfs/dbraw/zinc/35/03/90/645350390.db2.gz ZWOHHPCNPFDODU-GDPRMGEGSA-N 1 3 234.746 1.889 20 0 BDADHO C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)C1CNC1 ZINC000844926637 645350580 /nfs/dbraw/zinc/35/05/80/645350580.db2.gz ZWOHHPCNPFDODU-JMJZKYOTSA-N 1 3 234.746 1.889 20 0 BDADHO C[C@@H]1C[C@H]1[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925488173 645503173 /nfs/dbraw/zinc/50/31/73/645503173.db2.gz BTELVZZLZRWPQV-JCIQBVFBSA-N 1 3 208.349 1.761 20 0 BDADHO C[C@@H]1C[C@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925488173 645503181 /nfs/dbraw/zinc/50/31/81/645503181.db2.gz BTELVZZLZRWPQV-JCIQBVFBSA-N 1 3 208.349 1.761 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](N)CC2CC2)c1 ZINC000884370429 645874526 /nfs/dbraw/zinc/87/45/26/645874526.db2.gz JKDINXKXVXKDEO-ZDUSSCGKSA-N 1 3 247.342 1.520 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCOC1 ZINC000925052092 646169452 /nfs/dbraw/zinc/16/94/52/646169452.db2.gz AEQRNGUPVRLMOZ-PIGZVRMJSA-N 1 3 238.375 1.343 20 0 BDADHO CC(C)CC[NH+]1CCC(N[C@@H](C)CO)CC1 ZINC000925159772 646196852 /nfs/dbraw/zinc/19/68/52/646196852.db2.gz DOAGSKXHYXPILF-LBPRGKRZSA-N 1 3 228.380 1.467 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925482032 646294543 /nfs/dbraw/zinc/29/45/43/646294543.db2.gz STMHYIJNELKIML-GFCCVEGCSA-N 1 3 226.364 1.677 20 0 BDADHO C[C@H]([NH3+])[C@H](NCCN1CCCC1)c1ccccc1 ZINC000925509864 646309494 /nfs/dbraw/zinc/30/94/94/646309494.db2.gz RJELIEFRWMHDAZ-ZFWWWQNUSA-N 1 3 247.386 1.760 20 0 BDADHO CCC(CC)(CCO)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925529200 646317937 /nfs/dbraw/zinc/31/79/37/646317937.db2.gz ZPSMIGWRVYCPKN-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ccon1 ZINC000925531667 646319888 /nfs/dbraw/zinc/31/98/88/646319888.db2.gz SBGMDRARBXOZHV-GJYTXDDASA-N 1 3 221.304 1.280 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)CN1C1CC1 ZINC000925544276 646324626 /nfs/dbraw/zinc/32/46/26/646324626.db2.gz ZBDDQGOTZYMHOB-UVLXDEKHSA-N 1 3 249.402 1.471 20 0 BDADHO Cc1noc(C)c1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556927 646334228 /nfs/dbraw/zinc/33/42/28/646334228.db2.gz NACBIUVQRWNJHH-CHWSQXEVSA-N 1 3 249.358 1.693 20 0 BDADHO Cc1ccc(CCN[C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925573242 646341443 /nfs/dbraw/zinc/34/14/43/646341443.db2.gz NIWJXHUTAHPWLL-KGLIPLIRSA-N 1 3 245.370 1.792 20 0 BDADHO CC[C@@](C)(O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925609220 646357066 /nfs/dbraw/zinc/35/70/66/646357066.db2.gz QRGGMOWFICLVLB-OWTLIXCDSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@@](C)(O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609220 646357068 /nfs/dbraw/zinc/35/70/68/646357068.db2.gz QRGGMOWFICLVLB-OWTLIXCDSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@@H]1CCCN1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925621834 646368466 /nfs/dbraw/zinc/36/84/66/646368466.db2.gz GZAVALVXRJSMKU-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1CCNC12CCC2 ZINC000925623133 646369349 /nfs/dbraw/zinc/36/93/49/646369349.db2.gz OZAJMSRBSQZHKT-JHJVBQTASA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H]1CCO ZINC000925641778 646384352 /nfs/dbraw/zinc/38/43/52/646384352.db2.gz BLOTUTXRHYAIHX-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C[C@@H]1C ZINC000925648868 646389793 /nfs/dbraw/zinc/38/97/93/646389793.db2.gz YHACYBHANSKKOE-MROQNXINSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925662012 646395766 /nfs/dbraw/zinc/39/57/66/646395766.db2.gz GAEVMCWRBPYOMN-UTUOFQBUSA-N 1 3 212.337 1.001 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925683598 646410306 /nfs/dbraw/zinc/41/03/06/646410306.db2.gz TUFLZSQTAABHMF-WISYIIOYSA-N 1 3 224.348 1.413 20 0 BDADHO C[NH2+]CCN[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925696262 646421166 /nfs/dbraw/zinc/42/11/66/646421166.db2.gz YOSPAKIXJPLEBT-QJPTWQEYSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ncc[nH]1 ZINC000925707966 646432562 /nfs/dbraw/zinc/43/25/62/646432562.db2.gz QMGSLDJWOAVFEU-SNVBAGLBSA-N 1 3 220.320 1.370 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000925714802 646439717 /nfs/dbraw/zinc/43/97/17/646439717.db2.gz WWJVCRNWLOZKJS-GXFFZTMASA-N 1 3 219.332 1.499 20 0 BDADHO CC(C)CC[C@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925718141 646442806 /nfs/dbraw/zinc/44/28/06/646442806.db2.gz HJHBZACPRGANJE-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H](NCc1cc(N)ccn1)[C@@H]1CCCC[NH2+]1 ZINC000925765463 646466970 /nfs/dbraw/zinc/46/69/70/646466970.db2.gz BUFHFGIMVWCMNA-MFKMUULPSA-N 1 3 234.347 1.284 20 0 BDADHO Nc1ccnc(CN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000925767150 646468995 /nfs/dbraw/zinc/46/89/95/646468995.db2.gz NIPFPNCFOQFCHA-QWHCGFSZSA-N 1 3 234.347 1.413 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@@H]1CC(C)(C)CO1 ZINC000925775739 646476089 /nfs/dbraw/zinc/47/60/89/646476089.db2.gz RSZCZQDTTRAJSB-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925779209 646476615 /nfs/dbraw/zinc/47/66/15/646476615.db2.gz ICESJGGNPANLAT-RKQHYHRCSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@H](NCCN1CCC([NH3+])CC1)c1ccccn1 ZINC000925815958 646491369 /nfs/dbraw/zinc/49/13/69/646491369.db2.gz UZYIYEUZXSGXLV-LBPRGKRZSA-N 1 3 248.374 1.155 20 0 BDADHO C1=C[C@@H](C[NH2+][C@H]2CCNC23CCC3)[C@H]2CO[C@@H]1C2 ZINC000925833704 646503208 /nfs/dbraw/zinc/50/32/08/646503208.db2.gz XECGSJJIWVDNLX-CRWXNKLISA-N 1 3 248.370 1.452 20 0 BDADHO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CN2C[C@@H]1CCC2 ZINC000926450539 646642552 /nfs/dbraw/zinc/64/25/52/646642552.db2.gz OFVUCVODORSVRT-RDBSUJKOSA-N 1 3 239.407 1.399 20 0 BDADHO Cc1nnsc1CN1CC[C@@H](CC[NH3+])C1 ZINC000723698437 711534526 /nfs/dbraw/zinc/53/45/26/711534526.db2.gz GHNUZJXZXNNNOW-SECBINFHSA-N 1 3 226.349 1.017 20 0 BDADHO CCn1nccc1CN1CC[C@H](CC[NH3+])C1 ZINC000723711657 711536016 /nfs/dbraw/zinc/53/60/16/711536016.db2.gz DWXQHBNHJRJMJU-NSHDSACASA-N 1 3 222.336 1.074 20 0 BDADHO COCCN(CCF)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000700383988 711803015 /nfs/dbraw/zinc/80/30/15/711803015.db2.gz GHHDPTDSMTWNQT-NEPJUHHUSA-N 1 3 232.343 1.292 20 0 BDADHO CCO[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000701718527 712027984 /nfs/dbraw/zinc/02/79/84/712027984.db2.gz RXJMIHPRICSIEB-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCSC1 ZINC000704813538 712118242 /nfs/dbraw/zinc/11/82/42/712118242.db2.gz IIEMOSUYGYBFKN-SRVKXCTJSA-N 1 3 228.405 1.847 20 0 BDADHO C[N@@H+]1C[C@@]2(C)CN(C[C@@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664246 712134716 /nfs/dbraw/zinc/13/47/16/712134716.db2.gz YCMBUBVWHXPBQL-MCIONIFRSA-N 1 3 238.375 1.031 20 0 BDADHO C[N@H+]1C[C@@]2(C)CN(C[C@@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664246 712134717 /nfs/dbraw/zinc/13/47/17/712134717.db2.gz YCMBUBVWHXPBQL-MCIONIFRSA-N 1 3 238.375 1.031 20 0 BDADHO FC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000711446221 712301002 /nfs/dbraw/zinc/30/10/02/712301002.db2.gz WCXUGARCEQDYKP-VXGBXAGGSA-N 1 3 214.328 1.668 20 0 BDADHO CC1(C)CCNCC[N@@H+]1CCOC1CC1 ZINC000711777898 712328641 /nfs/dbraw/zinc/32/86/41/712328641.db2.gz WQDUHCSCLFMMAJ-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CC1(C)CCNCC[N@H+]1CCOC1CC1 ZINC000711777898 712328643 /nfs/dbraw/zinc/32/86/43/712328643.db2.gz WQDUHCSCLFMMAJ-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2COCC2(C)C)C1 ZINC000715540134 712526802 /nfs/dbraw/zinc/52/68/02/712526802.db2.gz DLGXKZJESMFLSC-UPJWGTAASA-N 1 3 240.391 1.874 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2COCC2(C)C)C1 ZINC000715540134 712526803 /nfs/dbraw/zinc/52/68/03/712526803.db2.gz DLGXKZJESMFLSC-UPJWGTAASA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H]([NH2+]CCN)c1ccc2c(c1)OCCO2 ZINC000037712435 712744931 /nfs/dbraw/zinc/74/49/31/712744931.db2.gz XWPIJQVATBVVNJ-VIFPVBQESA-N 1 3 222.288 1.067 20 0 BDADHO CN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000720876201 712872981 /nfs/dbraw/zinc/87/29/81/712872981.db2.gz ZJNNZLKODSESOO-RWMBFGLXSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1N ZINC000721910748 710691945 /nfs/dbraw/zinc/69/19/45/710691945.db2.gz YLSAMDBBCMMBOZ-NDBYEHHHSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(C[C@H]2C[C@@H](OC)C2)CC[C@@H]1[NH3+] ZINC000721910748 710691950 /nfs/dbraw/zinc/69/19/50/710691950.db2.gz YLSAMDBBCMMBOZ-NDBYEHHHSA-N 1 3 226.364 1.471 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723630069 710729869 /nfs/dbraw/zinc/72/98/69/710729869.db2.gz VSRLDGUYJWPNQZ-GRYCIOLGSA-N 1 3 212.337 1.130 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCOC(F)F ZINC000398273102 711406889 /nfs/dbraw/zinc/40/68/89/711406889.db2.gz HGIUBMYAMNTTSX-DTWKUNHWSA-N 1 3 222.279 1.346 20 0 BDADHO C[C@H](CCCCO)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000398652219 711413100 /nfs/dbraw/zinc/41/31/00/711413100.db2.gz CABADKIQGGJEDH-WFQJECDVSA-N 1 3 238.375 1.124 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)CC[C@@H]1N ZINC000721910748 710691940 /nfs/dbraw/zinc/69/19/40/710691940.db2.gz YLSAMDBBCMMBOZ-NDBYEHHHSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCC(C)(C)CCO ZINC000396698881 711367138 /nfs/dbraw/zinc/36/71/38/711367138.db2.gz MRPYEBXFHMTUOQ-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO CCSCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396688165 711364187 /nfs/dbraw/zinc/36/41/87/711364187.db2.gz YBJRIPNRBYGGDZ-QWRGUYRKSA-N 1 3 216.394 1.860 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCCn1cccn1 ZINC000396732383 711368863 /nfs/dbraw/zinc/36/88/63/711368863.db2.gz ZJQIUIFNHDEJAT-VXGBXAGGSA-N 1 3 222.336 1.003 20 0 BDADHO CN(CCC[NH2+]C1CC1)C[C@@H]1CCOC1 ZINC000399572318 711431732 /nfs/dbraw/zinc/43/17/32/711431732.db2.gz JECIQBNLOIVTEJ-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[N@H+](CCCNC1CC1)C[C@@H]1CCOC1 ZINC000399572318 711431735 /nfs/dbraw/zinc/43/17/35/711431735.db2.gz JECIQBNLOIVTEJ-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](CCCNC1CC1)C[C@@H]1CCOC1 ZINC000399572318 711431738 /nfs/dbraw/zinc/43/17/38/711431738.db2.gz JECIQBNLOIVTEJ-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)COCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396689083 711703192 /nfs/dbraw/zinc/70/31/92/711703192.db2.gz ZQAMFEGNBYFYKM-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)c2ccccc2)C1 ZINC000222920519 711753939 /nfs/dbraw/zinc/75/39/39/711753939.db2.gz TVUGDJLBDSZHKU-HZSPNIEDSA-N 1 3 234.343 1.580 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925473661 711878852 /nfs/dbraw/zinc/87/88/52/711878852.db2.gz NWXRYPJMMRHPPA-QWHCGFSZSA-N 1 3 248.374 1.441 20 0 BDADHO CN(Cc1cnccn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000700078114 711985822 /nfs/dbraw/zinc/98/58/22/711985822.db2.gz KORRQXKSMVQWDZ-YHWZYXNKSA-N 1 3 246.358 1.439 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000700793543 712005043 /nfs/dbraw/zinc/00/50/43/712005043.db2.gz RQJOFLPLRWJURF-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](CCN[C@@H](C)[C@@H]1CCCCO1)[NH+](C)C ZINC000705959898 712138170 /nfs/dbraw/zinc/13/81/70/712138170.db2.gz MPKVKBKLHHIHQC-AGIUHOORSA-N 1 3 228.380 1.874 20 0 BDADHO CSC1CC([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000706944975 712162694 /nfs/dbraw/zinc/16/26/94/712162694.db2.gz OKTFFCCLHKPPJZ-KPPDAEKUSA-N 1 3 216.394 1.810 20 0 BDADHO CC1(C)CO[C@H](CN2CCC[C@@H](C[NH3+])C2)C1 ZINC000708332142 712187962 /nfs/dbraw/zinc/18/79/62/712187962.db2.gz PMQHDYGCKXYEMX-RYUDHWBXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C[C@H]1C[NH3+] ZINC000708348308 712189995 /nfs/dbraw/zinc/18/99/95/712189995.db2.gz MLFOAIQXHICKMT-JHJVBQTASA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H](CN(C)C[C@@H](O)C[NH3+])CC(C)(C)C ZINC000709133221 712209778 /nfs/dbraw/zinc/20/97/78/712209778.db2.gz YMHTUMKOUQUNEM-MNOVXSKESA-N 1 3 216.369 1.310 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@H](O)C1(C)C)[NH2+]2 ZINC000709415420 712221419 /nfs/dbraw/zinc/22/14/19/712221419.db2.gz QWEKBHBVCVNERJ-PDWLFKFUSA-N 1 3 238.375 1.264 20 0 BDADHO C[C@]1(C(F)(F)F)CCN(CCOCC[NH3+])C1 ZINC000709637963 712226104 /nfs/dbraw/zinc/22/61/04/712226104.db2.gz NAHWTJWJPGBBTD-VIFPVBQESA-N 1 3 240.269 1.236 20 0 BDADHO C[C@@]1(C(F)(F)F)CCN(CCOCC[NH3+])C1 ZINC000709637962 712226392 /nfs/dbraw/zinc/22/63/92/712226392.db2.gz NAHWTJWJPGBBTD-SECBINFHSA-N 1 3 240.269 1.236 20 0 BDADHO [NH3+]C[C@@H]1CN(CC2CCC2)C[C@H]1C(F)(F)F ZINC000709796784 712227354 /nfs/dbraw/zinc/22/73/54/712227354.db2.gz ZDAWAWPBVWRCHG-NXEZZACHSA-N 1 3 236.281 1.856 20 0 BDADHO CC1(C)[C@H](NCCc2ccns2)C[C@@H]1[NH3+] ZINC000709968011 712235757 /nfs/dbraw/zinc/23/57/57/712235757.db2.gz UNWIWBBUVBVDCO-VHSXEESVSA-N 1 3 225.361 1.401 20 0 BDADHO CCCNC(=O)[C@H](C)N(C)CCCCCC[NH3+] ZINC000710756980 712256622 /nfs/dbraw/zinc/25/66/22/712256622.db2.gz AQTMUBWYQSYQHC-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H]1CCN(CC)C1 ZINC000711106655 712280733 /nfs/dbraw/zinc/28/07/33/712280733.db2.gz GULXXJZBNJRJTB-XQQFMLRXSA-N 1 3 226.364 1.343 20 0 BDADHO FC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000711443568 712301052 /nfs/dbraw/zinc/30/10/52/712301052.db2.gz MWGHIYCOWGNNQZ-WDEREUQCSA-N 1 3 200.301 1.277 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCOC2CC2)C1 ZINC000711734113 712321210 /nfs/dbraw/zinc/32/12/10/712321210.db2.gz YHZCOBCERANOFQ-GHMZBOCLSA-N 1 3 212.337 1.225 20 0 BDADHO CN(CCOC1CC1)CC(C)(C)C[NH3+] ZINC000711751425 712323777 /nfs/dbraw/zinc/32/37/77/712323777.db2.gz DYULTEZBPHKUMK-UHFFFAOYSA-N 1 3 200.326 1.082 20 0 BDADHO CC[C@H](CO)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000379007783 712367688 /nfs/dbraw/zinc/36/76/88/712367688.db2.gz IFYCWOKJZFYWCS-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](CO)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000379007783 712367691 /nfs/dbraw/zinc/36/76/91/712367691.db2.gz IFYCWOKJZFYWCS-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712437758 712429754 /nfs/dbraw/zinc/42/97/54/712429754.db2.gz KMTXIOMAPWBPQT-QWHCGFSZSA-N 1 3 238.375 1.759 20 0 BDADHO COCCCN1CC[NH2+]CCC12CCC2 ZINC000713176998 712453235 /nfs/dbraw/zinc/45/32/35/712453235.db2.gz SUHWIWRQJNJLIV-UHFFFAOYSA-N 1 3 212.337 1.241 20 0 BDADHO COCCCCN1CC[NH2+]CCC12CCC2 ZINC000713192470 712454429 /nfs/dbraw/zinc/45/44/29/712454429.db2.gz XXDLMGGRXWCBAW-UHFFFAOYSA-N 1 3 226.364 1.631 20 0 BDADHO C[NH+](C)C1(C)CCC(NCc2ncc[nH]2)CC1 ZINC000715511839 712524408 /nfs/dbraw/zinc/52/44/08/712524408.db2.gz MBAABRAVZRABRM-UHFFFAOYSA-N 1 3 236.363 1.762 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]1CC(C)(C)CO1 ZINC000717370392 712652388 /nfs/dbraw/zinc/65/23/88/712652388.db2.gz CZIQWUIOCRVRHM-XQQFMLRXSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]1CC(C)(C)CO1 ZINC000717370399 712652421 /nfs/dbraw/zinc/65/24/21/712652421.db2.gz CZIQWUIOCRVRHM-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1c[nH+]c(N2C[C@@H](C)N(C)C[C@@H]2C)cc1N ZINC001164638107 719229924 /nfs/dbraw/zinc/22/99/24/719229924.db2.gz NFYUKROZCKPCQO-MNOVXSKESA-N 1 3 234.347 1.501 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1c1cc(N)cc[nH+]1 ZINC001164632160 719149741 /nfs/dbraw/zinc/14/97/41/719149741.db2.gz PXFBQEHTOSRWBC-VHSXEESVSA-N 1 3 220.320 1.193 20 0 BDADHO CN(CC1CC[NH+](C)CC1)c1cccc(N)n1 ZINC000168788444 721932154 /nfs/dbraw/zinc/93/21/54/721932154.db2.gz DSJRQOCYMPDJPZ-UHFFFAOYSA-N 1 3 234.347 1.442 20 0 BDADHO C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000382670593 958713793 /nfs/dbraw/zinc/71/37/93/958713793.db2.gz YJCQQWRVFAFFBY-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CO[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000300038225 959827732 /nfs/dbraw/zinc/82/77/32/959827732.db2.gz FCQNOVKGRDTLTP-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157451319 963611502 /nfs/dbraw/zinc/61/15/02/963611502.db2.gz SPJIFCRGSUBPIS-SRVKXCTJSA-N 1 3 241.379 1.232 20 0 BDADHO C[C@H](Cc1cccc(F)c1)[NH2+]C1CC(N)C1 ZINC001168465568 965809843 /nfs/dbraw/zinc/80/98/43/965809843.db2.gz UATYQAYCRKMZRT-UHEGKEBESA-N 1 3 222.307 1.836 20 0 BDADHO C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001251963149 968401799 /nfs/dbraw/zinc/40/17/99/968401799.db2.gz UGXCKYVUMPBZAS-IHRRRGAJSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001251963149 968401806 /nfs/dbraw/zinc/40/18/06/968401806.db2.gz UGXCKYVUMPBZAS-IHRRRGAJSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 ZINC001252355449 968634839 /nfs/dbraw/zinc/63/48/39/968634839.db2.gz IJHLCBYSRDBWJR-TXEJJXNPSA-N 1 3 226.364 1.031 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 ZINC001252355449 968634849 /nfs/dbraw/zinc/63/48/49/968634849.db2.gz IJHLCBYSRDBWJR-TXEJJXNPSA-N 1 3 226.364 1.031 20 0 BDADHO CN(CCCn1cccn1)CCC[NH+](C)C ZINC001208083500 968989573 /nfs/dbraw/zinc/98/95/73/968989573.db2.gz VROSVTDBOGFFCE-UHFFFAOYSA-N 1 3 224.352 1.157 20 0 BDADHO CC[NH+]1CCC(CN2CCCC(=O)CC2)CC1 ZINC001208596089 969151907 /nfs/dbraw/zinc/15/19/07/969151907.db2.gz BFYPYRUWFNVKHS-UHFFFAOYSA-N 1 3 238.375 1.773 20 0 BDADHO CC[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404940 969159507 /nfs/dbraw/zinc/15/95/07/969159507.db2.gz KLAYMWOHZQPOQY-UWVGGRQHSA-N 1 3 202.342 1.124 20 0 BDADHO CC[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404940 969159509 /nfs/dbraw/zinc/15/95/09/969159509.db2.gz KLAYMWOHZQPOQY-UWVGGRQHSA-N 1 3 202.342 1.124 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2CCC[N@H+](C)CC2)n1 ZINC001254506013 969675112 /nfs/dbraw/zinc/67/51/12/969675112.db2.gz NLRCCNDLGTWHEM-WDEREUQCSA-N 1 3 222.336 1.560 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506013 969675120 /nfs/dbraw/zinc/67/51/20/969675120.db2.gz NLRCCNDLGTWHEM-WDEREUQCSA-N 1 3 222.336 1.560 20 0 BDADHO CN([C@@H]1CCOC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522052 969702091 /nfs/dbraw/zinc/70/20/91/969702091.db2.gz BCOUGOBFKZCYOA-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO CN([C@@H]1CCOC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522052 969702097 /nfs/dbraw/zinc/70/20/97/969702097.db2.gz BCOUGOBFKZCYOA-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO CCN(C1CN(C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254531289 969728456 /nfs/dbraw/zinc/72/84/56/969728456.db2.gz JRBPAESWXJKYDP-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(C1CN(C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254531289 969728466 /nfs/dbraw/zinc/72/84/66/969728466.db2.gz JRBPAESWXJKYDP-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CC[N@H+](C1CN(C)C1)[C@H]1CCCN(C)CC1 ZINC001254531289 969728471 /nfs/dbraw/zinc/72/84/71/969728471.db2.gz JRBPAESWXJKYDP-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CC[N@@H+](C1CN(C)C1)[C@H]1CCCN(C)CC1 ZINC001254531289 969728476 /nfs/dbraw/zinc/72/84/76/969728476.db2.gz JRBPAESWXJKYDP-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255292675 970054020 /nfs/dbraw/zinc/05/40/20/970054020.db2.gz HULZVRPQVCRDOR-XQQFMLRXSA-N 1 3 240.416 1.766 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255292675 970054032 /nfs/dbraw/zinc/05/40/32/970054032.db2.gz HULZVRPQVCRDOR-XQQFMLRXSA-N 1 3 240.416 1.766 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC001255941878 970574365 /nfs/dbraw/zinc/57/43/65/970574365.db2.gz YSQGEMJRMMKJCW-MELADBBJSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@](C)(O)C1 ZINC001255942243 970576873 /nfs/dbraw/zinc/57/68/73/970576873.db2.gz DURPAABUPMIQSG-MCIONIFRSA-N 1 3 242.407 1.857 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1C[C@H](O)C1 ZINC001255946385 970582435 /nfs/dbraw/zinc/58/24/35/970582435.db2.gz UJECYKACHROAJI-IJLUTSLNSA-N 1 3 214.353 1.220 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCCOCCO ZINC001255950752 970584089 /nfs/dbraw/zinc/58/40/89/970584089.db2.gz KUPHGNKYAIUJPA-ZDUSSCGKSA-N 1 3 246.395 1.095 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CC(N(C)C)C1 ZINC001255956793 970598465 /nfs/dbraw/zinc/59/84/65/970598465.db2.gz MKWPJIBWQABPQP-GFCCVEGCSA-N 1 3 227.396 1.353 20 0 BDADHO CN1CC(CNc2ccccc2C(C)(C)[NH3+])C1 ZINC001170259474 970644715 /nfs/dbraw/zinc/64/47/15/970644715.db2.gz VZMZMJUTPNFFKW-UHFFFAOYSA-N 1 3 233.359 1.854 20 0 BDADHO C[C@H](O)[C@H](C)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001336050912 977460187 /nfs/dbraw/zinc/46/01/87/977460187.db2.gz JVFKTBTWERHXDG-FIQHERPVSA-N 1 3 226.364 1.218 20 0 BDADHO CC1(C)CC[N@H+](CCNc2ccncc2)C1 ZINC001337742680 978478776 /nfs/dbraw/zinc/47/87/76/978478776.db2.gz HNWVSQICNZDWNJ-UHFFFAOYSA-N 1 3 219.332 1.647 20 0 BDADHO CC1(C)CC[N@@H+](CCNc2ccncc2)C1 ZINC001337742680 978478782 /nfs/dbraw/zinc/47/87/82/978478782.db2.gz HNWVSQICNZDWNJ-UHFFFAOYSA-N 1 3 219.332 1.647 20 0 BDADHO CC[C@@H]1CN(CC2CC[NH+](CC)CC2)CCO1 ZINC001180540397 978902200 /nfs/dbraw/zinc/90/22/00/978902200.db2.gz LFELQMCWBKHURE-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CCCCCOC(=O)NCCC[NH2+]CCCN ZINC001239325461 980533375 /nfs/dbraw/zinc/53/33/75/980533375.db2.gz QPYDJPGYBDCBSM-UHFFFAOYSA-N 1 3 245.367 1.231 20 0 BDADHO CC(C)COCC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001172465528 974828536 /nfs/dbraw/zinc/82/85/36/974828536.db2.gz WFIVXFRHUXTAPL-VOMCLLRMSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)COCC[C@@H](C)NC1CC([NH3+])C1 ZINC001172465528 974828538 /nfs/dbraw/zinc/82/85/38/974828538.db2.gz WFIVXFRHUXTAPL-VOMCLLRMSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1ncsc1CN1CCC(F)(C[NH3+])CC1 ZINC001222533030 972555128 /nfs/dbraw/zinc/55/51/28/972555128.db2.gz RJVNYOKSMWXYGX-UHFFFAOYSA-N 1 3 243.351 1.714 20 0 BDADHO CCOC1CCC([N@H+](C)C[C@@H](C)CN)CC1 ZINC001256432239 970838790 /nfs/dbraw/zinc/83/87/90/970838790.db2.gz VEIGZZFQNKONRD-HIFPTAJRSA-N 1 3 228.380 1.861 20 0 BDADHO CCOC1CCC([N@@H+](C)C[C@@H](C)CN)CC1 ZINC001256432239 970838792 /nfs/dbraw/zinc/83/87/92/970838792.db2.gz VEIGZZFQNKONRD-HIFPTAJRSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@H](C[NH3+])CN(C)[C@H](C)Cc1ccncc1 ZINC001256726735 970949115 /nfs/dbraw/zinc/94/91/15/970949115.db2.gz BLLOASLMTXXPHI-VXGBXAGGSA-N 1 3 221.348 1.539 20 0 BDADHO NCc1cncn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256894273 971015171 /nfs/dbraw/zinc/01/51/71/971015171.db2.gz GMVUDNFZNPWOKW-CYBMUJFWSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1cncn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256894273 971015178 /nfs/dbraw/zinc/01/51/78/971015178.db2.gz GMVUDNFZNPWOKW-CYBMUJFWSA-N 1 3 248.374 1.921 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](N(C)CCC[NH+](C)C)C1 ZINC001170535433 971107828 /nfs/dbraw/zinc/10/78/28/971107828.db2.gz AXYQDHKZFUUZFR-VXGBXAGGSA-N 1 3 242.363 1.212 20 0 BDADHO CC(C)[NH+]1CCC(NCCc2ccncn2)CC1 ZINC001257213883 971126474 /nfs/dbraw/zinc/12/64/74/971126474.db2.gz WKRWBFMJBIWOSU-UHFFFAOYSA-N 1 3 248.374 1.482 20 0 BDADHO C[C@H](Nc1cc[nH+]c(C2CC2)c1)[C@@H]1CNCCO1 ZINC001170572871 971227195 /nfs/dbraw/zinc/22/71/95/971227195.db2.gz IERDNVBDSXRSTD-HZMBPMFUSA-N 1 3 247.342 1.748 20 0 BDADHO CS[C@H](C)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405318371 971232449 /nfs/dbraw/zinc/23/24/49/971232449.db2.gz QFGPJFPRVKGKJV-UTLUCORTSA-N 1 3 214.378 1.597 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C12CCC2 ZINC000405304294 971233456 /nfs/dbraw/zinc/23/34/56/971233456.db2.gz KARTVPBTSNJGLQ-QJPTWQEYSA-N 1 3 222.332 1.539 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCC=CO2)C12CCC2 ZINC000405304294 971233460 /nfs/dbraw/zinc/23/34/60/971233460.db2.gz KARTVPBTSNJGLQ-QJPTWQEYSA-N 1 3 222.332 1.539 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)C12CCC2 ZINC000405304299 971234297 /nfs/dbraw/zinc/23/42/97/971234297.db2.gz KARTVPBTSNJGLQ-UTUOFQBUSA-N 1 3 222.332 1.539 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCC=CO2)C12CCC2 ZINC000405304299 971234308 /nfs/dbraw/zinc/23/43/08/971234308.db2.gz KARTVPBTSNJGLQ-UTUOFQBUSA-N 1 3 222.332 1.539 20 0 BDADHO CCOC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)C(C)C ZINC000405357089 971240937 /nfs/dbraw/zinc/24/09/37/971240937.db2.gz RRKPEUPFJWNKGY-RWMBFGLXSA-N 1 3 240.391 1.907 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405368052 971241976 /nfs/dbraw/zinc/24/19/76/971241976.db2.gz XMVUSVCQPMEJKK-OUAUKWLOSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](COC)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368052 971241981 /nfs/dbraw/zinc/24/19/81/971241981.db2.gz XMVUSVCQPMEJKK-OUAUKWLOSA-N 1 3 212.337 1.271 20 0 BDADHO CCC[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405392334 971246170 /nfs/dbraw/zinc/24/61/70/971246170.db2.gz HBSKLVSDDGMTKC-GRYCIOLGSA-N 1 3 226.364 1.661 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)OC ZINC000405392334 971246179 /nfs/dbraw/zinc/24/61/79/971246179.db2.gz HBSKLVSDDGMTKC-GRYCIOLGSA-N 1 3 226.364 1.661 20 0 BDADHO CC(F)(F)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405414235 971256761 /nfs/dbraw/zinc/25/67/61/971256761.db2.gz NXVXOWRJBYNKOP-IUCAKERBSA-N 1 3 218.291 1.891 20 0 BDADHO CC(F)(F)CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405414235 971256769 /nfs/dbraw/zinc/25/67/69/971256769.db2.gz NXVXOWRJBYNKOP-IUCAKERBSA-N 1 3 218.291 1.891 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCN(C3CC3)C2)C12CCC2 ZINC000405483150 971262789 /nfs/dbraw/zinc/26/27/89/971262789.db2.gz NLNHPKNTGXLEIM-CYZMBNFOSA-N 1 3 235.375 1.083 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCCOC2)C12CCC2 ZINC000405518018 971266313 /nfs/dbraw/zinc/26/63/13/971266313.db2.gz UWHFAFOSQSTVLJ-AXFHLTTASA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000405518018 971266321 /nfs/dbraw/zinc/26/63/21/971266321.db2.gz UWHFAFOSQSTVLJ-AXFHLTTASA-N 1 3 210.321 1.025 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CO[C@H]1C ZINC000405562671 971276610 /nfs/dbraw/zinc/27/66/10/971276610.db2.gz ARABXHXDVHKTKV-HPCHECBXSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CO[C@H]1C ZINC000405562671 971276625 /nfs/dbraw/zinc/27/66/25/971276625.db2.gz ARABXHXDVHKTKV-HPCHECBXSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1[C@@H](NCC(C)(C)C[NH+](C)C)CO[C@H]1C ZINC000405712791 971295583 /nfs/dbraw/zinc/29/55/83/971295583.db2.gz GUKMMQQBDHDRPY-SRVKXCTJSA-N 1 3 228.380 1.587 20 0 BDADHO CCCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133434354 971538641 /nfs/dbraw/zinc/53/86/41/971538641.db2.gz NNVOAFZQZBHJIJ-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO CC(C)C[NH+]1CCC(N2C[C@H](O)C[C@H]2C)CC1 ZINC001258011016 971552411 /nfs/dbraw/zinc/55/24/11/971552411.db2.gz GUCCHKUUESTQDV-TZMCWYRMSA-N 1 3 240.391 1.562 20 0 BDADHO c1cc2c(c(O[C@H]3CCCC[NH2+]C3)c1)CNC2 ZINC001217974507 971558631 /nfs/dbraw/zinc/55/86/31/971558631.db2.gz NUVBQQNCHSBBTE-LBPRGKRZSA-N 1 3 232.327 1.811 20 0 BDADHO F[C@@H]1CNCC[C@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065061 971595482 /nfs/dbraw/zinc/59/54/82/971595482.db2.gz CRBQLRIFIIFZMR-CHWSQXEVSA-N 1 3 236.290 1.369 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729756 971671800 /nfs/dbraw/zinc/67/18/00/971671800.db2.gz GJDWLBIQLYBQJX-WISYIIOYSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729756 971671806 /nfs/dbraw/zinc/67/18/06/971671806.db2.gz GJDWLBIQLYBQJX-WISYIIOYSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCCOCC1 ZINC001170792823 971833345 /nfs/dbraw/zinc/83/33/45/971833345.db2.gz TXSNANOTDBPMGD-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCCOCC1 ZINC001170792823 971833349 /nfs/dbraw/zinc/83/33/49/971833349.db2.gz TXSNANOTDBPMGD-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218897310 971960059 /nfs/dbraw/zinc/96/00/59/971960059.db2.gz GMOYXPVYCKYYED-SECBINFHSA-N 1 3 235.331 1.209 20 0 BDADHO N[C@H](CCC[NH3+])Nc1cccc(C2COC2)c1 ZINC001170901244 972068194 /nfs/dbraw/zinc/06/81/94/972068194.db2.gz XKGVFKILRUPSIV-ZDUSSCGKSA-N 1 3 235.331 1.236 20 0 BDADHO COc1cccc(N[C@@H](N)CCC[NH3+])c1 ZINC001170900917 972070701 /nfs/dbraw/zinc/07/07/01/972070701.db2.gz ZPDIBZKPDUZWRU-LLVKDONJSA-N 1 3 209.293 1.131 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086009 972139306 /nfs/dbraw/zinc/13/93/06/972139306.db2.gz YSXJVMLXCDEMBV-MROQNXINSA-N 1 3 244.354 1.217 20 0 BDADHO CC[C@@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246085234 972141394 /nfs/dbraw/zinc/14/13/94/972141394.db2.gz QCRWSHQDQCBANL-QNWHQSFQSA-N 1 3 226.364 1.674 20 0 BDADHO CCN1CC[C@H](NC[C@@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246105157 972169722 /nfs/dbraw/zinc/16/97/22/972169722.db2.gz MLKNLNPQOWKMRU-AGIUHOORSA-N 1 3 225.380 1.058 20 0 BDADHO CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CNCC34CC4)C[C@@H]21 ZINC001246131378 972187859 /nfs/dbraw/zinc/18/78/59/972187859.db2.gz JQQUMNIMCRABDS-WRWGMCAJSA-N 1 3 220.360 1.763 20 0 BDADHO COC(=O)C1(CN[C@@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246179708 972207917 /nfs/dbraw/zinc/20/79/17/972207917.db2.gz FFXBZYCOBOTTSG-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)C1(C[NH2+][C@@H]2CCN[C@H](C)C2)CCC1 ZINC001246179708 972207920 /nfs/dbraw/zinc/20/79/20/972207920.db2.gz FFXBZYCOBOTTSG-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO Cc1cnc(NC[C@H]2CCCC[NH2+]2)cc1N ZINC001160149903 972218948 /nfs/dbraw/zinc/21/89/48/972218948.db2.gz AGCZSNQHWNNMCO-SNVBAGLBSA-N 1 3 220.320 1.526 20 0 BDADHO CC/C=C/NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220560344 972240015 /nfs/dbraw/zinc/24/00/15/972240015.db2.gz DKUBPZWYZHEFMA-LHXVZLOVSA-N 1 3 241.379 1.522 20 0 BDADHO CCOC(CC[NH2+][C@@H]1CCN[C@H](C)C1)OCC ZINC001246234898 972240445 /nfs/dbraw/zinc/24/04/45/972240445.db2.gz WKPVPCANQPUYTO-VXGBXAGGSA-N 1 3 244.379 1.506 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCc2cccnc2)CCN1 ZINC001246241606 972247938 /nfs/dbraw/zinc/24/79/38/972247938.db2.gz YPECKYMHGRHDCV-OCCSQVGLSA-N 1 3 233.359 1.744 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000692998897 957410087 /nfs/dbraw/zinc/41/00/87/957410087.db2.gz QCMFCTOMDORRBP-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO COC(=O)[C@H]1CCC[C@H](NCC[C@H](C)[NH3+])C1 ZINC001246307612 972271215 /nfs/dbraw/zinc/27/12/15/972271215.db2.gz ZJOFHXHOAPFIBB-DCAQKATOSA-N 1 3 228.336 1.045 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2COCC2(C)C)C1 ZINC000693025895 957514182 /nfs/dbraw/zinc/51/41/82/957514182.db2.gz GEOMFLJSCXFHQK-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@H]2COCC2(C)C)C1 ZINC000693025895 957514195 /nfs/dbraw/zinc/51/41/95/957514195.db2.gz GEOMFLJSCXFHQK-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000693025895 957514201 /nfs/dbraw/zinc/51/42/01/957514201.db2.gz GEOMFLJSCXFHQK-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO CCN(CCC[NH+](C)C)[C@H](C)COC ZINC000706065860 957625164 /nfs/dbraw/zinc/62/51/64/957625164.db2.gz JTZLBDNBCCNDMC-LLVKDONJSA-N 1 3 202.342 1.295 20 0 BDADHO CC(=O)NCCCCC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246335837 972297133 /nfs/dbraw/zinc/29/71/33/972297133.db2.gz MNDPDRYFLUHCCB-YPMHNXCESA-N 1 3 241.379 1.023 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@]2(C)CCCN(C)C2)C[NH2+]1 ZINC001246464687 972339932 /nfs/dbraw/zinc/33/99/32/972339932.db2.gz SNIAJACDFCIFSS-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000693398955 958363139 /nfs/dbraw/zinc/36/31/39/958363139.db2.gz QXDMHZUSDLMQCO-YFKTTZPYSA-N 1 3 244.329 1.819 20 0 BDADHO C[C@@H]1CC[C@H](N2CCN(C3CCC3)CC2)C[NH2+]1 ZINC000398973269 958468611 /nfs/dbraw/zinc/46/86/11/958468611.db2.gz AJCPPELWCKONNM-OCCSQVGLSA-N 1 3 237.391 1.297 20 0 BDADHO C[C@@H]1CC[C@@H](NCCC2CCOCC2)C[NH2+]1 ZINC000399084983 958504811 /nfs/dbraw/zinc/50/48/11/958504811.db2.gz UCLOWASFDOYSHJ-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@]1(C)O ZINC001207276453 958848747 /nfs/dbraw/zinc/84/87/47/958848747.db2.gz WWSPKQUPOVIIOX-OCCSQVGLSA-N 1 3 242.407 1.667 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000300383832 959801924 /nfs/dbraw/zinc/80/19/24/959801924.db2.gz IIASQRCDESJCGX-VHSXEESVSA-N 1 3 212.337 1.271 20 0 BDADHO F[C@@H]1CNCC[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065062 959852075 /nfs/dbraw/zinc/85/20/75/959852075.db2.gz CRBQLRIFIIFZMR-OLZOCXBDSA-N 1 3 236.290 1.369 20 0 BDADHO C[C@H]1C[C@H]([N@H+](C)CCc2ccncc2)CCN1 ZINC000709477051 960623612 /nfs/dbraw/zinc/62/36/12/960623612.db2.gz ITQWROZXUQJWPA-GXTWGEPZSA-N 1 3 233.359 1.696 20 0 BDADHO C[C@H]1C[C@H]([N@@H+](C)CCc2ccncc2)CCN1 ZINC000709477051 960623623 /nfs/dbraw/zinc/62/36/23/960623623.db2.gz ITQWROZXUQJWPA-GXTWGEPZSA-N 1 3 233.359 1.696 20 0 BDADHO Cc1nc(N)ccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206632181 962125000 /nfs/dbraw/zinc/12/50/00/962125000.db2.gz GVKATBJWARVRKX-LBPRGKRZSA-N 1 3 248.374 1.533 20 0 BDADHO CCC[N@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001268760634 962336651 /nfs/dbraw/zinc/33/66/51/962336651.db2.gz WOVBUVBDSZPYDN-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CCC[N@@H+](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001268760634 962336671 /nfs/dbraw/zinc/33/66/71/962336671.db2.gz WOVBUVBDSZPYDN-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO N[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648148 962599078 /nfs/dbraw/zinc/59/90/78/962599078.db2.gz MGHNZKOQMHTRAL-GHMZBOCLSA-N 1 3 247.333 1.044 20 0 BDADHO N[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648167 962599384 /nfs/dbraw/zinc/59/93/84/962599384.db2.gz MGHNZKOQMHTRAL-WDEREUQCSA-N 1 3 247.333 1.044 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C)[C@H]2CO)CCN1 ZINC000711575866 962729272 /nfs/dbraw/zinc/72/92/72/962729272.db2.gz FJXAYSQSEOTVQM-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C)[C@H]2CO)CCN1 ZINC000711575866 962729277 /nfs/dbraw/zinc/72/92/77/962729277.db2.gz FJXAYSQSEOTVQM-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO CN(C)Cc1ccnc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154990940 962932997 /nfs/dbraw/zinc/93/29/97/962932997.db2.gz ZEYQMWSEGNYUGM-CHWSQXEVSA-N 1 3 248.374 1.825 20 0 BDADHO CN(C)c1ccnc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC001155034237 962944672 /nfs/dbraw/zinc/94/46/72/962944672.db2.gz XWRZYRQIKLLYGK-UWVGGRQHSA-N 1 3 238.310 1.260 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1Nc1cc(N2CCCC2)ccn1 ZINC001155188067 963017233 /nfs/dbraw/zinc/01/72/33/963017233.db2.gz OIBJQCIGWQPTNV-DGCLKSJQSA-N 1 3 246.358 1.844 20 0 BDADHO Cc1cnc(N[C@H]2C[NH2+]CC[C@H]2F)cc1N ZINC001157450048 963609332 /nfs/dbraw/zinc/60/93/32/963609332.db2.gz FYEXCOSZENPBBC-SCZZXKLOSA-N 1 3 224.283 1.084 20 0 BDADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)C(C)C ZINC001157484400 963630375 /nfs/dbraw/zinc/63/03/75/963630375.db2.gz CEGMUIIHWIVTMP-LBPRGKRZSA-N 1 3 243.395 1.349 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111321 963749460 /nfs/dbraw/zinc/74/94/60/963749460.db2.gz APHGLGONNHDNIP-YIYPIFLZSA-N 1 3 238.375 1.437 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111321 963749472 /nfs/dbraw/zinc/74/94/72/963749472.db2.gz APHGLGONNHDNIP-YIYPIFLZSA-N 1 3 238.375 1.437 20 0 BDADHO c1c(N=C2CCCNC2)onc1[C@@H]1CCC[NH2+]1 ZINC001159304795 964058926 /nfs/dbraw/zinc/05/89/26/964058926.db2.gz CPRLLAHPPBMLSO-JTQLQIEISA-N 1 3 234.303 1.388 20 0 BDADHO NCc1cc(NCc2ccccc2C[NH3+])ncn1 ZINC001160906353 964441661 /nfs/dbraw/zinc/44/16/61/964441661.db2.gz UULROACBWDXYJR-UHFFFAOYSA-N 1 3 243.314 1.006 20 0 BDADHO Cc1cc(CN)nn1C1CC[NH+](CC2CC2)CC1 ZINC001168352733 964493724 /nfs/dbraw/zinc/49/37/24/964493724.db2.gz BMBAZKRILICWRA-UHFFFAOYSA-N 1 3 248.374 1.697 20 0 BDADHO C[C@H](CC[NH2+]Cc1ccc(CO)cc1)N(C)C ZINC000697848368 964566100 /nfs/dbraw/zinc/56/61/00/964566100.db2.gz MADVPQNSPGNCNY-GFCCVEGCSA-N 1 3 236.359 1.609 20 0 BDADHO C[C@@H](CCN[C@@H]1CCCOC1)[NH+](C)C ZINC000697868668 964594556 /nfs/dbraw/zinc/59/45/56/964594556.db2.gz CKBDQJSXAUQJJZ-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO NCc1cn(-c2cc[nH+]c(C3CC3)c2)cn1 ZINC001162304704 964919264 /nfs/dbraw/zinc/91/92/64/964919264.db2.gz QRZNPISCYUNPEJ-UHFFFAOYSA-N 1 3 214.272 1.603 20 0 BDADHO C[C@H]([NH3+])c1ccc(-n2cnc(CN)c2)cc1 ZINC001162304638 964919900 /nfs/dbraw/zinc/91/99/00/964919900.db2.gz VYBKBHFBTGRQBV-VIFPVBQESA-N 1 3 216.288 1.351 20 0 BDADHO c1cc2c(c(N[C@H]3CN4CCC3CC4)[nH+]1)CCN2 ZINC001163386191 965387254 /nfs/dbraw/zinc/38/72/54/965387254.db2.gz OLYUPJPMXSJZHX-ZDUSSCGKSA-N 1 3 244.342 1.556 20 0 BDADHO C[C@H](Cc1cccc(F)c1)NC1CC([NH3+])C1 ZINC001168465568 965809838 /nfs/dbraw/zinc/80/98/38/965809838.db2.gz UATYQAYCRKMZRT-UHEGKEBESA-N 1 3 222.307 1.836 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2cccc3[nH]cnc32)CC1 ZINC001205109746 965834625 /nfs/dbraw/zinc/83/46/25/965834625.db2.gz KYYVHRUZHPUGTB-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH3+])CN1c1cccc(N)n1 ZINC001164460903 965893331 /nfs/dbraw/zinc/89/33/31/965893331.db2.gz FZVSWUDKRTYJHR-ZJUUUORDSA-N 1 3 220.320 1.227 20 0 BDADHO C[C@H]1C[N@H+](CC2(C)CCOCC2)C[C@H]1CN ZINC001205131415 965937483 /nfs/dbraw/zinc/93/74/83/965937483.db2.gz YCTUAGBOIPYSSO-NWDGAFQWSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@H]1C[N@@H+](CC2(C)CCOCC2)C[C@H]1CN ZINC001205131415 965937494 /nfs/dbraw/zinc/93/74/94/965937494.db2.gz YCTUAGBOIPYSSO-NWDGAFQWSA-N 1 3 226.364 1.330 20 0 BDADHO CC[C@@H]1COC[C@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000699542210 965952947 /nfs/dbraw/zinc/95/29/47/965952947.db2.gz KUTBNTSAZNBUOH-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1COC[C@H]1NC[C@H](C)C[NH+]1CCCC1 ZINC000699542210 965952959 /nfs/dbraw/zinc/95/29/59/965952959.db2.gz KUTBNTSAZNBUOH-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1ccc(N2CC[C@@H](N)C(F)(F)C2)[nH+]c1C ZINC001166960013 966485264 /nfs/dbraw/zinc/48/52/64/966485264.db2.gz FYQJRCNVCXACKI-SNVBAGLBSA-N 1 3 241.285 1.871 20 0 BDADHO Cc1ccc(N2CC[C@H](N)C(F)(F)C2)[nH+]c1C ZINC001166960012 966488147 /nfs/dbraw/zinc/48/81/47/966488147.db2.gz FYQJRCNVCXACKI-JTQLQIEISA-N 1 3 241.285 1.871 20 0 BDADHO CO[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1C ZINC000300005157 966490760 /nfs/dbraw/zinc/49/07/60/966490760.db2.gz KZCFNPJKNPMZGZ-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO Cn1cccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001203267734 966591513 /nfs/dbraw/zinc/59/15/13/966591513.db2.gz YLQBFWGRLBGLKG-UHFFFAOYSA-N 1 3 233.359 1.553 20 0 BDADHO C[NH+](C)C1CCC(n2cnc3c2CNCC3)CC1 ZINC000715495898 966920241 /nfs/dbraw/zinc/92/02/41/966920241.db2.gz RDQLNWWFZCZKMN-UHFFFAOYSA-N 1 3 248.374 1.574 20 0 BDADHO C[NH+](C)C1CCC(n2cnc(CN)c2)CC1 ZINC000715503388 966940448 /nfs/dbraw/zinc/94/04/48/966940448.db2.gz YBXMXIXMYGCQAJ-UHFFFAOYSA-N 1 3 222.336 1.387 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715562827 967180996 /nfs/dbraw/zinc/18/09/96/967180996.db2.gz RIJOGBPEROQLCX-YNEHKIRRSA-N 1 3 228.380 1.466 20 0 BDADHO [NH3+]CC1CCN(Cc2cccc3ccnn32)CC1 ZINC001205033358 967296274 /nfs/dbraw/zinc/29/62/74/967296274.db2.gz CCJZNWSCUBIDIF-UHFFFAOYSA-N 1 3 244.342 1.505 20 0 BDADHO COc1cc(C)c(CN2CCC(C[NH3+])CC2)cn1 ZINC001205046724 967301676 /nfs/dbraw/zinc/30/16/76/967301676.db2.gz JYNQFAYMXATFOV-UHFFFAOYSA-N 1 3 249.358 1.569 20 0 BDADHO [NH3+]CC1CCN(Cc2cc3cccnc3[nH]2)CC1 ZINC001205046343 967305198 /nfs/dbraw/zinc/30/51/98/967305198.db2.gz FIMYQCBLLICNNO-UHFFFAOYSA-N 1 3 244.342 1.734 20 0 BDADHO Cc1cc(F)ncc1CN1CCC(C[NH3+])CC1 ZINC001205047496 967309026 /nfs/dbraw/zinc/30/90/26/967309026.db2.gz WOPAVAJEWUGNCU-UHFFFAOYSA-N 1 3 237.322 1.700 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1C[C@H]1CCCN(C)C1 ZINC001205058215 967315787 /nfs/dbraw/zinc/31/57/87/967315787.db2.gz GPGCOTCRSIAXIG-AVGNSLFASA-N 1 3 225.380 1.140 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1C[C@H]1CCCN(C)C1 ZINC001205058215 967315795 /nfs/dbraw/zinc/31/57/95/967315795.db2.gz GPGCOTCRSIAXIG-AVGNSLFASA-N 1 3 225.380 1.140 20 0 BDADHO CNc1ccccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205146653 967388608 /nfs/dbraw/zinc/38/86/08/967388608.db2.gz ZYHZXTBBAHZADR-WCQYABFASA-N 1 3 233.359 1.755 20 0 BDADHO C[C@@H]1[C@H](N)CC[N@@H+]1Cc1cccc2c1CCN2 ZINC001205197201 967422529 /nfs/dbraw/zinc/42/25/29/967422529.db2.gz JXDQZTDDGJFDEI-ZWNOBZJWSA-N 1 3 231.343 1.576 20 0 BDADHO C[C@@H]1[C@H](N)CC[N@H+]1Cc1cccc2c1CCN2 ZINC001205197201 967422535 /nfs/dbraw/zinc/42/25/35/967422535.db2.gz JXDQZTDDGJFDEI-ZWNOBZJWSA-N 1 3 231.343 1.576 20 0 BDADHO Cc1ccc(O)c(CN2CCC[C@@](C)([NH3+])CC2)n1 ZINC001205280700 967471204 /nfs/dbraw/zinc/47/12/04/967471204.db2.gz GOYFUCLNYLEYOL-CQSZACIVSA-N 1 3 249.358 1.799 20 0 BDADHO CCOc1ccc(CN2CCC(C[NH3+])CC2)cn1 ZINC001205047510 967630995 /nfs/dbraw/zinc/63/09/95/967630995.db2.gz XGZZSAXGKZGJFN-UHFFFAOYSA-N 1 3 249.358 1.651 20 0 BDADHO Cn1cncc1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545374 967687287 /nfs/dbraw/zinc/68/72/87/967687287.db2.gz FUVWIMORNXLVAS-LBPRGKRZSA-N 1 3 240.326 1.073 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccnnc2)CC1 ZINC001205559261 967694737 /nfs/dbraw/zinc/69/47/37/967694737.db2.gz PPABTVTXKNYXCZ-GFCCVEGCSA-N 1 3 238.310 1.130 20 0 BDADHO Cc1nc(CN2CCC[C@](F)(C[NH3+])CC2)c[nH]1 ZINC001205579278 967705119 /nfs/dbraw/zinc/70/51/19/967705119.db2.gz LYUFEGFKNFVFTQ-GFCCVEGCSA-N 1 3 240.326 1.371 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803314 967827050 /nfs/dbraw/zinc/82/70/50/967827050.db2.gz GBOMHPKOCYZWML-SRVKXCTJSA-N 1 3 242.363 1.197 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803314 967827052 /nfs/dbraw/zinc/82/70/52/967827052.db2.gz GBOMHPKOCYZWML-SRVKXCTJSA-N 1 3 242.363 1.197 20 0 BDADHO CCc1[nH]ncc1CN1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC001205855614 967858070 /nfs/dbraw/zinc/85/80/70/967858070.db2.gz OJBXYPQMRNNKKP-CMPLNLGQSA-N 1 3 236.363 1.531 20 0 BDADHO Cc1nc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)co1 ZINC001205992546 967938850 /nfs/dbraw/zinc/93/88/50/967938850.db2.gz FFOMAJGNAAAODP-JQWIXIFHSA-N 1 3 237.347 1.790 20 0 BDADHO [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCOC2)C1 ZINC001206338259 968246615 /nfs/dbraw/zinc/24/66/15/968246615.db2.gz YSCLUJJCQKDUFZ-NEPJUHHUSA-N 1 3 230.327 1.176 20 0 BDADHO CC1(C[N@@H+]2CCCC[C@@H](CN)C2)CCOCC1 ZINC001206606064 968414899 /nfs/dbraw/zinc/41/48/99/968414899.db2.gz BYCVULZHWGGJSA-ZDUSSCGKSA-N 1 3 240.391 1.864 20 0 BDADHO CC1(C[N@H+]2CCCC[C@@H](CN)C2)CCOCC1 ZINC001206606064 968414906 /nfs/dbraw/zinc/41/49/06/968414906.db2.gz BYCVULZHWGGJSA-ZDUSSCGKSA-N 1 3 240.391 1.864 20 0 BDADHO C[NH+]1CCC(CN2CCc3cccnc3C2)CC1 ZINC001207399158 968753237 /nfs/dbraw/zinc/75/32/37/968753237.db2.gz DZPNTEKUZRMZCL-UHFFFAOYSA-N 1 3 245.370 1.782 20 0 BDADHO Cc1cnc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC001207441820 968775182 /nfs/dbraw/zinc/77/51/82/968775182.db2.gz MQTRKIXJDARPGH-UHFFFAOYSA-N 1 3 245.370 1.748 20 0 BDADHO C[NH+]1CCC(CCN2CCOCC2(C)C)CC1 ZINC001207483919 968798309 /nfs/dbraw/zinc/79/83/09/968798309.db2.gz JAMNXVSCPNQZRZ-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@@H](O)CNCCC[NH+](CC)CC ZINC001252772275 968940978 /nfs/dbraw/zinc/94/09/78/968940978.db2.gz YLYUWMWPINXIAJ-GFCCVEGCSA-N 1 3 216.369 1.469 20 0 BDADHO CCN1C[C@@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]2C1 ZINC001207963336 968959214 /nfs/dbraw/zinc/95/92/14/968959214.db2.gz GCDCQUDYLGXUOL-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC=C(c2cnc3c(c2)C[NH2+]CC3)C1 ZINC001241569947 969058422 /nfs/dbraw/zinc/05/84/22/969058422.db2.gz BFVJJBFGGXPNBJ-UHFFFAOYSA-N 1 3 229.327 1.446 20 0 BDADHO COCC[N@H+](C)CC1(CN(C)C)CCCC1 ZINC001208182384 969113980 /nfs/dbraw/zinc/11/39/80/969113980.db2.gz OJZNJUUGXPHPQE-UHFFFAOYSA-N 1 3 228.380 1.687 20 0 BDADHO COCC[N@@H+](C)CC1(CN(C)C)CCCC1 ZINC001208182384 969113986 /nfs/dbraw/zinc/11/39/86/969113986.db2.gz OJZNJUUGXPHPQE-UHFFFAOYSA-N 1 3 228.380 1.687 20 0 BDADHO Cc1cc(CN)nn1-c1cc(C[NH+](C)C)ccn1 ZINC001156045043 969156812 /nfs/dbraw/zinc/15/68/12/969156812.db2.gz VUQGMQDZVPYVBQ-UHFFFAOYSA-N 1 3 245.330 1.096 20 0 BDADHO [NH3+]CCc1cnn(-c2c[nH]cc3ccnc2-3)c1 ZINC001168950428 969290421 /nfs/dbraw/zinc/29/04/21/969290421.db2.gz VKFAWRDLQUQYBI-UHFFFAOYSA-N 1 3 227.271 1.250 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100528 969392555 /nfs/dbraw/zinc/39/25/55/969392555.db2.gz KNUCYECRLRXNEO-YFKTTZPYSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100528 969392566 /nfs/dbraw/zinc/39/25/66/969392566.db2.gz KNUCYECRLRXNEO-YFKTTZPYSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1ccn(-c2ccc(C3([NH3+])CC3)cc2)n1 ZINC001169232706 969513208 /nfs/dbraw/zinc/51/32/08/969513208.db2.gz ITMXILHOBIOBKL-JTQLQIEISA-N 1 3 242.326 1.840 20 0 BDADHO CCc1cc(-n2ccc([C@@H](C)[NH3+])n2)ccn1 ZINC001169234334 969514623 /nfs/dbraw/zinc/51/46/23/969514623.db2.gz HBIFZUKLDLDNDM-SECBINFHSA-N 1 3 216.288 1.849 20 0 BDADHO CC[NH+]1CCC(N2CC(N3CCCC3)C2)CC1 ZINC001169258217 969544291 /nfs/dbraw/zinc/54/42/91/969544291.db2.gz GROORPHKXCMKHB-UHFFFAOYSA-N 1 3 237.391 1.251 20 0 BDADHO C[C@H](N)c1nccn1[C@@H]1CCC[N@H+](C)CC1 ZINC001254498393 969657215 /nfs/dbraw/zinc/65/72/15/969657215.db2.gz YKUDECFVGPDMFU-WDEREUQCSA-N 1 3 222.336 1.560 20 0 BDADHO C[C@H](N)c1nccn1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254498393 969657225 /nfs/dbraw/zinc/65/72/25/969657225.db2.gz YKUDECFVGPDMFU-WDEREUQCSA-N 1 3 222.336 1.560 20 0 BDADHO C[N@@H+]1CCC[C@H](NCCN2CCCCO2)CC1 ZINC001254498292 969660235 /nfs/dbraw/zinc/66/02/35/969660235.db2.gz UNTQXPYTMSUEQU-ZDUSSCGKSA-N 1 3 241.379 1.088 20 0 BDADHO C[N@H+]1CCC[C@H](NCCN2CCCCO2)CC1 ZINC001254498292 969660249 /nfs/dbraw/zinc/66/02/49/969660249.db2.gz UNTQXPYTMSUEQU-ZDUSSCGKSA-N 1 3 241.379 1.088 20 0 BDADHO CN1CCC[C@H]([NH2+]CCN2CCCCO2)CC1 ZINC001254498292 969660264 /nfs/dbraw/zinc/66/02/64/969660264.db2.gz UNTQXPYTMSUEQU-ZDUSSCGKSA-N 1 3 241.379 1.088 20 0 BDADHO CN1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001254504465 969675503 /nfs/dbraw/zinc/67/55/03/969675503.db2.gz BKKYRXVMZKGOHF-SRVKXCTJSA-N 1 3 230.327 1.187 20 0 BDADHO CO[C@@H](C)C1CN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532105 969730404 /nfs/dbraw/zinc/73/04/04/969730404.db2.gz PDCFXONGLUDKDZ-WCQYABFASA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@@H](C)C1CN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532105 969730409 /nfs/dbraw/zinc/73/04/09/969730409.db2.gz PDCFXONGLUDKDZ-WCQYABFASA-N 1 3 226.364 1.437 20 0 BDADHO c1cc2c(nc1NCC[C@H]1CCC[NH2+]1)CNCC2 ZINC001169563148 969758987 /nfs/dbraw/zinc/75/89/87/969758987.db2.gz SUERJSRTUSIYIP-GFCCVEGCSA-N 1 3 246.358 1.281 20 0 BDADHO C1C(N2CCCC2)CN1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254860896 969810080 /nfs/dbraw/zinc/81/00/80/969810080.db2.gz DDKJHMXRTXCIHC-AWEZNQCLSA-N 1 3 249.402 1.251 20 0 BDADHO Cn1cncc1NC(C)(C)CC[NH+](C)C ZINC001169717121 969832279 /nfs/dbraw/zinc/83/22/79/969832279.db2.gz DNYZDGHBKPJLDN-UHFFFAOYSA-N 1 3 210.325 1.562 20 0 BDADHO CCCC[C@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001255329533 970112371 /nfs/dbraw/zinc/11/23/71/970112371.db2.gz SRKBLKXTQJLYCB-AWEZNQCLSA-N 1 3 243.439 1.990 20 0 BDADHO CN1CC[C@]2(CC[N@@H+]([C@@H]3CCCN(C)C3)C2)C1 ZINC001255492625 970253092 /nfs/dbraw/zinc/25/30/92/970253092.db2.gz IYUAJWMTJZESDD-KGLIPLIRSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@]2(CC[N@H+]([C@@H]3CCCN(C)C3)C2)C1 ZINC001255492625 970253099 /nfs/dbraw/zinc/25/30/99/970253099.db2.gz IYUAJWMTJZESDD-KGLIPLIRSA-N 1 3 237.391 1.108 20 0 BDADHO C1=C(c2ccc(CN3CCCC3)cn2)C[NH2+]C1 ZINC001243108450 970335904 /nfs/dbraw/zinc/33/59/04/970335904.db2.gz DGGOXTRJMNNSTE-UHFFFAOYSA-N 1 3 229.327 1.664 20 0 BDADHO CC[NH+](CC)CC[C@H](C)n1cncc1CN ZINC001255940799 970572847 /nfs/dbraw/zinc/57/28/47/970572847.db2.gz GTWNXPCVDRWDFG-NSHDSACASA-N 1 3 224.352 1.635 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)C(C)(C)O ZINC001255950822 970580957 /nfs/dbraw/zinc/58/09/57/970580957.db2.gz CNKKWCBVYMNZNQ-VXGBXAGGSA-N 1 3 230.396 1.856 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CCN2CC[C@@H]2C1 ZINC001255969191 970607737 /nfs/dbraw/zinc/60/77/37/970607737.db2.gz VADOQSIBELEFPO-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000401867997 970745941 /nfs/dbraw/zinc/74/59/41/970745941.db2.gz AEFOSSZTUWHUGF-FRRDWIJNSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000401867997 970745947 /nfs/dbraw/zinc/74/59/47/970745947.db2.gz AEFOSSZTUWHUGF-FRRDWIJNSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000401867997 970745936 /nfs/dbraw/zinc/74/59/36/970745936.db2.gz AEFOSSZTUWHUGF-FRRDWIJNSA-N 1 3 226.364 1.484 20 0 BDADHO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543608 972602448 /nfs/dbraw/zinc/60/24/48/972602448.db2.gz UYSXYBCGUWJJJO-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543608 972602450 /nfs/dbraw/zinc/60/24/50/972602450.db2.gz UYSXYBCGUWJJJO-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO C[C@]1(CO)CCC[N@@H+](C2CCNCC2)CC1 ZINC001246577411 972882031 /nfs/dbraw/zinc/88/20/31/972882031.db2.gz RFYCHGWNJFYNIN-ZDUSSCGKSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@]1(CO)CCC[N@H+](C2CCNCC2)CC1 ZINC001246577411 972882034 /nfs/dbraw/zinc/88/20/34/972882034.db2.gz RFYCHGWNJFYNIN-ZDUSSCGKSA-N 1 3 226.364 1.223 20 0 BDADHO COC[C@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246601468 973017425 /nfs/dbraw/zinc/01/74/25/973017425.db2.gz VQHXLLIHXDEWBB-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO COC[C@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246601468 973017442 /nfs/dbraw/zinc/01/74/42/973017442.db2.gz VQHXLLIHXDEWBB-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO CCCCN1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246793410 973095880 /nfs/dbraw/zinc/09/58/80/973095880.db2.gz YQUDHPMQXLIMPG-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CC[C@@]3(N)C1)C2 ZINC001246854667 973170491 /nfs/dbraw/zinc/17/04/91/973170491.db2.gz QNXZIYBFVHBBJL-ODXJTPSBSA-N 1 3 235.375 1.035 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CC[C@@]3(N)C1)C2 ZINC001246854667 973170494 /nfs/dbraw/zinc/17/04/94/973170494.db2.gz QNXZIYBFVHBBJL-ODXJTPSBSA-N 1 3 235.375 1.035 20 0 BDADHO C[NH2+][C@H](C)CCN[C@H](C)[C@@H]1CCCO1 ZINC001329022577 973434468 /nfs/dbraw/zinc/43/44/68/973434468.db2.gz FUIGSHKGYDFYLE-MXWKQRLJSA-N 1 3 200.326 1.142 20 0 BDADHO C1=C2NCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2CCC1 ZINC001246991221 973772399 /nfs/dbraw/zinc/77/23/99/973772399.db2.gz AAEIRGVWTFNPJV-RLCAUIQDSA-N 1 3 247.386 1.611 20 0 BDADHO NCc1cc(NC[C@H]2CCCC[NH2+]2)ccn1 ZINC001171333075 973860291 /nfs/dbraw/zinc/86/02/91/973860291.db2.gz AXYALODFFWTBQB-LLVKDONJSA-N 1 3 220.320 1.094 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)C1 ZINC001206156411 974341913 /nfs/dbraw/zinc/34/19/13/974341913.db2.gz QOJBXOQDGKMBQV-XQQFMLRXSA-N 1 3 243.370 1.089 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)C1 ZINC001206156411 974341922 /nfs/dbraw/zinc/34/19/22/974341922.db2.gz QOJBXOQDGKMBQV-XQQFMLRXSA-N 1 3 243.370 1.089 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(CN)n1)C2 ZINC001172103684 974366278 /nfs/dbraw/zinc/36/62/78/974366278.db2.gz WUAYQIMGDBPNJL-ITGUQSILSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1ccc(CN)n1)C2 ZINC001172103684 974366292 /nfs/dbraw/zinc/36/62/92/974366292.db2.gz WUAYQIMGDBPNJL-ITGUQSILSA-N 1 3 234.347 1.530 20 0 BDADHO CC(C)[N@H+](CCCN)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218117 974444596 /nfs/dbraw/zinc/44/45/96/974444596.db2.gz PXMYPSXAPPCFGT-YHWZYXNKSA-N 1 3 226.364 1.756 20 0 BDADHO CC(C)[N@@H+](CCCN)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218117 974444604 /nfs/dbraw/zinc/44/46/04/974444604.db2.gz PXMYPSXAPPCFGT-YHWZYXNKSA-N 1 3 226.364 1.756 20 0 BDADHO CN1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172219348 974447183 /nfs/dbraw/zinc/44/71/83/974447183.db2.gz PEBWKJPJEFLYPK-PBNFFQIGSA-N 1 3 238.375 1.770 20 0 BDADHO CCC1([NH3+])CCN(C(=O)CN(C)C(C)C)CC1 ZINC001331410344 974710938 /nfs/dbraw/zinc/71/09/38/974710938.db2.gz RZBNYSYWGKRDLG-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001331476816 974737618 /nfs/dbraw/zinc/73/76/18/974737618.db2.gz YFCPGYQZCRXJNT-NEPJUHHUSA-N 1 3 243.395 1.029 20 0 BDADHO CN1CC[C@@H]([NH2+]CCCN2CCC2)CC1(C)C ZINC001331503651 974744042 /nfs/dbraw/zinc/74/40/42/974744042.db2.gz KIJFRQIBUNUFCL-CYBMUJFWSA-N 1 3 239.407 1.545 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614888 974888678 /nfs/dbraw/zinc/88/86/78/974888678.db2.gz ZMWHDIGSBUNAKU-NOOOWODRSA-N 1 3 240.347 1.188 20 0 BDADHO CC[N@@H+]1CC[C@H](n2ccc([C@@H](C)N)n2)C1 ZINC001173350664 975297267 /nfs/dbraw/zinc/29/72/67/975297267.db2.gz OJBOLRFFKOORBP-ZJUUUORDSA-N 1 3 208.309 1.170 20 0 BDADHO CC[N@H+]1CC[C@H](n2ccc([C@@H](C)N)n2)C1 ZINC001173350664 975297275 /nfs/dbraw/zinc/29/72/75/975297275.db2.gz OJBOLRFFKOORBP-ZJUUUORDSA-N 1 3 208.309 1.170 20 0 BDADHO CCN1CC[C@@H]([N@H+](C)C2CCN(C)CC2)C1 ZINC001173356351 975313818 /nfs/dbraw/zinc/31/38/18/975313818.db2.gz HDZDQVUFPCBWLM-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CC[C@@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC001173356351 975313823 /nfs/dbraw/zinc/31/38/23/975313823.db2.gz HDZDQVUFPCBWLM-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CC[N@@H+]1CC[C@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001173365469 975342608 /nfs/dbraw/zinc/34/26/08/975342608.db2.gz ISCPINRJQWWBIP-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CC[N@H+]1CC[C@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001173365469 975342613 /nfs/dbraw/zinc/34/26/13/975342613.db2.gz ISCPINRJQWWBIP-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO COc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])cn1 ZINC001335380382 977009535 /nfs/dbraw/zinc/00/95/35/977009535.db2.gz FRJMKPQPZVYSLV-MNOVXSKESA-N 1 3 237.347 1.348 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335428043 977048364 /nfs/dbraw/zinc/04/83/64/977048364.db2.gz ATQFONHLUXGEKY-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001336001647 977419874 /nfs/dbraw/zinc/41/98/74/977419874.db2.gz GPLFKRKXQLSNPC-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001336001647 977419884 /nfs/dbraw/zinc/41/98/84/977419884.db2.gz GPLFKRKXQLSNPC-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001336001647 977419891 /nfs/dbraw/zinc/41/98/91/977419891.db2.gz GPLFKRKXQLSNPC-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO [NH3+]C[C@]1(F)CCCCN(C[C@@H]2CCCOC2)C1 ZINC001206337320 978601911 /nfs/dbraw/zinc/60/19/11/978601911.db2.gz SYGFTWYRBFFCPC-QWHCGFSZSA-N 1 3 244.354 1.566 20 0 BDADHO CCN(CC)CC(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001180391645 978874082 /nfs/dbraw/zinc/87/40/82/978874082.db2.gz XKDWRBQCIIQGFH-UHFFFAOYSA-N 1 3 243.395 1.303 20 0 BDADHO CCC(CC)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053820 978965352 /nfs/dbraw/zinc/96/53/52/978965352.db2.gz KVKGXKGEXIMERC-CYBMUJFWSA-N 1 3 225.380 1.060 20 0 BDADHO CC1(C)CCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235692048 979122378 /nfs/dbraw/zinc/12/23/78/979122378.db2.gz ZISWGKGGSQSPTH-JTQLQIEISA-N 1 3 212.337 1.443 20 0 BDADHO CC1(C)[NH2+]C[C@@H](CN2CCC(C)(C)CC2)O1 ZINC001235690724 979123176 /nfs/dbraw/zinc/12/31/76/979123176.db2.gz LIDQRJPSUCHLEY-NSHDSACASA-N 1 3 226.364 1.833 20 0 BDADHO [NH3+]CCCCN1CCc2nc(Cl)ccc2C1 ZINC001235735165 979139637 /nfs/dbraw/zinc/13/96/37/979139637.db2.gz KWYDSIOMIJBLOA-UHFFFAOYSA-N 1 3 239.750 1.832 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981798 979262469 /nfs/dbraw/zinc/26/24/69/979262469.db2.gz XJHYLVLBRUBAEH-KBPBESRZSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981798 979262480 /nfs/dbraw/zinc/26/24/80/979262480.db2.gz XJHYLVLBRUBAEH-KBPBESRZSA-N 1 3 231.343 1.437 20 0 BDADHO C[C@@H](N)C[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC001236336573 979535792 /nfs/dbraw/zinc/53/57/92/979535792.db2.gz SCZBKGSYBYWNPJ-LLVKDONJSA-N 1 3 233.359 1.795 20 0 BDADHO [NH3+]C1CC(CC(=O)Nc2cccc3c2CNC3)C1 ZINC001342399788 979789982 /nfs/dbraw/zinc/78/99/82/979789982.db2.gz WJLKOZZQIVOHFC-UHFFFAOYSA-N 1 3 245.326 1.356 20 0 BDADHO CC1(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237384317 979881094 /nfs/dbraw/zinc/88/10/94/979881094.db2.gz VRNGSRHYNJOGMC-NWDGAFQWSA-N 1 3 224.348 1.097 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@@H](C)OC ZINC001184417314 980082871 /nfs/dbraw/zinc/08/28/71/980082871.db2.gz AKKFSYPURKOMFG-NWDGAFQWSA-N 1 3 216.369 1.731 20 0 BDADHO CCn1cncc1CN1CCC(C[NH3+])CC1 ZINC000085184846 981454975 /nfs/dbraw/zinc/45/49/75/981454975.db2.gz OQEYHYXHWOZYPS-UHFFFAOYSA-N 1 3 222.336 1.074 20 0 BDADHO O[C@@H](CN1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccccc1 ZINC001580884566 981697751 /nfs/dbraw/zinc/69/77/51/981697751.db2.gz HREQYDVBBNWBFH-ILXRZTDVSA-N 1 3 246.354 1.261 20 0 BDADHO CN(CC(C)(C)[NH3+])C(=O)[C@H](N)C1CCCCC1 ZINC001350408483 981966752 /nfs/dbraw/zinc/96/67/52/981966752.db2.gz BMWRLKRCTYWVNV-LLVKDONJSA-N 1 3 241.379 1.090 20 0 BDADHO COC1(C[NH2+]C[C@@H]2CCCCN(C)C2)CCC1 ZINC001352874605 982612898 /nfs/dbraw/zinc/61/28/98/982612898.db2.gz ANBLYCBXZHVBBS-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCC=C(c2ccnc(C[NH3+])c2)C1 ZINC001241570381 982819746 /nfs/dbraw/zinc/81/97/46/982819746.db2.gz HBIXWIDIFMXNJW-UHFFFAOYSA-N 1 3 203.289 1.259 20 0 BDADHO NCc1ccc(-c2ccc(C[NH3+])cc2)cn1 ZINC001241913852 983129735 /nfs/dbraw/zinc/12/97/35/983129735.db2.gz QZWHHNSSYAAEEY-UHFFFAOYSA-N 1 3 213.284 1.666 20 0 BDADHO NCc1cc(-c2ccc(C[NH3+])cc2)ccn1 ZINC001241914868 983134818 /nfs/dbraw/zinc/13/48/18/983134818.db2.gz IVHXTLBPMQSWRE-UHFFFAOYSA-N 1 3 213.284 1.666 20 0 BDADHO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCN1CCCC1 ZINC001354204316 983191834 /nfs/dbraw/zinc/19/18/34/983191834.db2.gz JAFUUMHSIFDSSI-WDNDVIMCSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1C[C@@H]2C[NH+](CC(C)C)C[C@H]2C1 ZINC001201478456 983283136 /nfs/dbraw/zinc/28/31/36/983283136.db2.gz KOSUUMNBNGHQKO-CHWSQXEVSA-N 1 3 210.365 1.916 20 0 BDADHO CCC[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001201646019 983397295 /nfs/dbraw/zinc/39/72/95/983397295.db2.gz OBBOUWBXNZFABB-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CCCN(CCC[NH+](C)C)CCC(=O)OC ZINC001201642351 983397331 /nfs/dbraw/zinc/39/73/31/983397331.db2.gz VMLYAQDPVPPQAK-UHFFFAOYSA-N 1 3 230.352 1.213 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@H]3CCC[NH2+]CC3)[C@@H]1O2 ZINC001574801203 984118997 /nfs/dbraw/zinc/11/89/97/984118997.db2.gz OPPZYWNSAKWPPV-NNYUYHANSA-N 1 3 210.321 1.038 20 0 BDADHO CCN(C)C1CC[NH+](CC2CCOCC2)CC1 ZINC001202609872 984126486 /nfs/dbraw/zinc/12/64/86/984126486.db2.gz SFHZCDSOLZKASL-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CCCCC[C@H](O)CNCCC[NH+](C)C ZINC001253521164 984190769 /nfs/dbraw/zinc/19/07/69/984190769.db2.gz BIRKNYZMZNAAHF-LBPRGKRZSA-N 1 3 216.369 1.469 20 0 BDADHO C[C@@]1(CN[C@@H]2C[C@@H]3CC[C@H]2O3)CCC[NH2+]C1 ZINC001576526104 984172730 /nfs/dbraw/zinc/17/27/30/984172730.db2.gz NIHCOBIVIHUMCL-UMSGYPCISA-N 1 3 224.348 1.286 20 0 BDADHO CCCCC[C@@H](O)CNCCC[NH+](C)C ZINC001253521163 984190692 /nfs/dbraw/zinc/19/06/92/984190692.db2.gz BIRKNYZMZNAAHF-GFCCVEGCSA-N 1 3 216.369 1.469 20 0 BDADHO CC[NH2+]CC1CCN(CC2=NOCC2)CC1 ZINC001577837300 984810192 /nfs/dbraw/zinc/81/01/92/984810192.db2.gz JDAHNJBDAQDFIP-UHFFFAOYSA-N 1 3 225.336 1.084 20 0 BDADHO CCOC(=O)C1(C)CC(N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC001577925244 984823379 /nfs/dbraw/zinc/82/33/79/984823379.db2.gz GOUDJGVJYAYFRR-QKIYJJFGSA-N 1 3 242.363 1.434 20 0 BDADHO CCO[C@@H]1CCC[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC001578151667 984858493 /nfs/dbraw/zinc/85/84/93/984858493.db2.gz ZFDAILGJDIBXPZ-YUSALJHKSA-N 1 3 212.337 1.142 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001578160826 984864966 /nfs/dbraw/zinc/86/49/66/984864966.db2.gz FBTJODMNPGHGCV-YFKTTZPYSA-N 1 3 212.337 1.413 20 0 BDADHO CN(C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578450339 985081559 /nfs/dbraw/zinc/08/15/59/985081559.db2.gz LMLCZYRUEMEPFK-DUMGWNBUSA-N 1 3 206.333 1.182 20 0 BDADHO CN1CCC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC001578528488 985151404 /nfs/dbraw/zinc/15/14/04/985151404.db2.gz IBFZXSBRAMSIMY-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO CNC[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC001578653700 985273335 /nfs/dbraw/zinc/27/33/35/985273335.db2.gz CFNSYNXCCFWOMY-VHDGCEQUSA-N 1 3 248.370 1.650 20 0 BDADHO CNC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC001578653700 985273352 /nfs/dbraw/zinc/27/33/52/985273352.db2.gz CFNSYNXCCFWOMY-VHDGCEQUSA-N 1 3 248.370 1.650 20 0 BDADHO C[NH2+]C[C@H](O)CN1C[C@H](C)C[C@@H]1c1ccccc1 ZINC001578653700 985273367 /nfs/dbraw/zinc/27/33/67/985273367.db2.gz CFNSYNXCCFWOMY-VHDGCEQUSA-N 1 3 248.370 1.650 20 0 BDADHO CNc1ccccc1CN1CCC[C@@H](C[NH3+])C1 ZINC001578763091 985326868 /nfs/dbraw/zinc/32/68/68/985326868.db2.gz AZPWGXLLEUZAGB-LBPRGKRZSA-N 1 3 233.359 1.899 20 0 BDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC001578787969 985352127 /nfs/dbraw/zinc/35/21/27/985352127.db2.gz GQMQFNNAHBMESS-IRCOFANPSA-N 1 3 242.363 1.147 20 0 BDADHO COC(=O)[C@H]1CCCCN1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578847104 985428486 /nfs/dbraw/zinc/42/84/86/985428486.db2.gz LZFXCRHWDOYZDN-QJPTWQEYSA-N 1 3 240.347 1.141 20 0 BDADHO CO[C@@](C)(CO)C[NH2+]C[C@H](N)CCC(C)(C)C ZINC001578896294 985472714 /nfs/dbraw/zinc/47/27/14/985472714.db2.gz LLFYNPJJYMLLCF-DGCLKSJQSA-N 1 3 246.395 1.127 20 0 BDADHO COC1CC(CC[NH2+]C[C@H](CN)C(C)C)C1 ZINC001578932115 985535594 /nfs/dbraw/zinc/53/55/94/985535594.db2.gz JAAXRAKFLSEALD-CPCZMJQVSA-N 1 3 228.380 1.622 20 0 BDADHO CO[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938634 985551012 /nfs/dbraw/zinc/55/10/12/985551012.db2.gz UCEVGOPEUOTFJA-VOAKCMCISA-N 1 3 224.348 1.095 20 0 BDADHO CO[C@H]1CC[C@H]([N@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938634 985551036 /nfs/dbraw/zinc/55/10/36/985551036.db2.gz UCEVGOPEUOTFJA-VOAKCMCISA-N 1 3 224.348 1.095 20 0 BDADHO CO[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938635 985553808 /nfs/dbraw/zinc/55/38/08/985553808.db2.gz UCEVGOPEUOTFJA-XQHKEYJVSA-N 1 3 224.348 1.095 20 0 BDADHO CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938635 985553821 /nfs/dbraw/zinc/55/38/21/985553821.db2.gz UCEVGOPEUOTFJA-XQHKEYJVSA-N 1 3 224.348 1.095 20 0 BDADHO C(=C/C1CC[NH2+]CC1)\c1ncnc2c1CNCC2 ZINC001243891684 985558962 /nfs/dbraw/zinc/55/89/62/985558962.db2.gz FABXKGDTSATTRZ-OWOJBTEDSA-N 1 3 244.342 1.135 20 0 BDADHO COC[C@@H](NC[C@H]([NH3+])CC(F)F)C(C)C ZINC001578970602 985604646 /nfs/dbraw/zinc/60/46/46/985604646.db2.gz YFVYFJXVSFYIJV-RKDXNWHRSA-N 1 3 224.295 1.230 20 0 BDADHO COCC[C@@H]([NH3+])CNC(C)(C)CSC ZINC001579000898 985622725 /nfs/dbraw/zinc/62/27/25/985622725.db2.gz COFBNCOYDPOYDX-SECBINFHSA-N 1 3 220.382 1.081 20 0 BDADHO COCC[C@H](N)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001579000030 985643199 /nfs/dbraw/zinc/64/31/99/985643199.db2.gz NCZCENCHHOATNN-ZFWWWQNUSA-N 1 3 248.370 1.970 20 0 BDADHO COCC[C@H](N)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001579000030 985643207 /nfs/dbraw/zinc/64/32/07/985643207.db2.gz NCZCENCHHOATNN-ZFWWWQNUSA-N 1 3 248.370 1.970 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@H]1CC[NH2+]CC[C@@H]1C ZINC001579130311 985807013 /nfs/dbraw/zinc/80/70/13/985807013.db2.gz RQCORJKTNFTBSF-YFKTTZPYSA-N 1 3 212.337 1.142 20 0 BDADHO COc1cc(CCNC[C@]2(C)CC[NH2+]C2)ccn1 ZINC001579150579 985817226 /nfs/dbraw/zinc/81/72/26/985817226.db2.gz ODSIYJNVEVYDIF-AWEZNQCLSA-N 1 3 249.358 1.222 20 0 BDADHO COC(=O)CC[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC001258355903 985837214 /nfs/dbraw/zinc/83/72/14/985837214.db2.gz LRXDFKYNJPPJNG-RYUDHWBXSA-N 1 3 242.363 1.402 20 0 BDADHO C[C@@H](CN)[NH2+]Cc1cccn1C(F)F ZINC001579395887 985875299 /nfs/dbraw/zinc/87/52/99/985875299.db2.gz RUTVQQWLFCXKNV-ZETCQYMHSA-N 1 3 203.236 1.320 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@]12CCC[C@H]1OCC2 ZINC001579460970 985955612 /nfs/dbraw/zinc/95/56/12/985955612.db2.gz WIUAGTLZRDBUKI-XQHKEYJVSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CNC[C@H]1CCC=CO1 ZINC001579459773 985957727 /nfs/dbraw/zinc/95/77/27/985957727.db2.gz WVWFLYCBMFYPIG-GRYCIOLGSA-N 1 3 210.321 1.124 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1CCC=CO1 ZINC001579459774 985958598 /nfs/dbraw/zinc/95/85/98/985958598.db2.gz WVWFLYCBMFYPIG-WOPDTQHZSA-N 1 3 210.321 1.124 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(CC[C@@H]1CCCO1)C2 ZINC001579473821 985981718 /nfs/dbraw/zinc/98/17/18/985981718.db2.gz ONVNHZIVFDLGBX-AGIUHOORSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC001579476831 985992228 /nfs/dbraw/zinc/99/22/28/985992228.db2.gz IVUGQOMSDVSMCM-VWYCJHECSA-N 1 3 228.380 1.905 20 0 BDADHO Cc1cn(C)nc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001461606404 986095254 /nfs/dbraw/zinc/09/52/54/986095254.db2.gz KRNYKPKGCZLPLU-TXEJJXNPSA-N 1 3 236.363 1.158 20 0 BDADHO Cc1ccc(C[C@H](CO)NC2CC([NH3+])C2)cc1C ZINC001579684423 986176441 /nfs/dbraw/zinc/17/64/41/986176441.db2.gz DWGWBASIMONKCB-YMAMQOFZSA-N 1 3 248.370 1.286 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]1N ZINC001579883478 986301692 /nfs/dbraw/zinc/30/16/92/986301692.db2.gz UUKGHNRLFFHAKO-VXGBXAGGSA-N 1 3 222.336 1.051 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(C[C@H](O)C(C)C)C[C@H]2C1 ZINC001253767350 986391871 /nfs/dbraw/zinc/39/18/71/986391871.db2.gz KXIQMXYRQWLTPV-MJBXVCDLSA-N 1 3 240.391 1.277 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(C[C@H](O)C(C)C)C[C@H]2C1 ZINC001253767350 986391879 /nfs/dbraw/zinc/39/18/79/986391879.db2.gz KXIQMXYRQWLTPV-MJBXVCDLSA-N 1 3 240.391 1.277 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](C[C@H](O)C(C)C)C[C@@H]2C1 ZINC001253767350 986391885 /nfs/dbraw/zinc/39/18/85/986391885.db2.gz KXIQMXYRQWLTPV-MJBXVCDLSA-N 1 3 240.391 1.277 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](C[C@H](O)C(C)C)C[C@@H]2C1 ZINC001253767350 986391895 /nfs/dbraw/zinc/39/18/95/986391895.db2.gz KXIQMXYRQWLTPV-MJBXVCDLSA-N 1 3 240.391 1.277 20 0 BDADHO COC1(C[NH2+]C[C@@H]2CN3CCC2CC3)CCC1 ZINC001462632747 986471141 /nfs/dbraw/zinc/47/11/41/986471141.db2.gz FKMRJKPWTDGJDK-CYBMUJFWSA-N 1 3 238.375 1.487 20 0 BDADHO CC[C@@H](C)C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001462638365 986479661 /nfs/dbraw/zinc/47/96/61/986479661.db2.gz YGGFNQSMYIDLGP-YPMHNXCESA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001262570186 986571628 /nfs/dbraw/zinc/57/16/28/986571628.db2.gz PMJFKNBAHYMOIJ-SGMGOOAPSA-N 1 3 240.391 1.467 20 0 BDADHO FC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000689421604 986588351 /nfs/dbraw/zinc/58/83/51/986588351.db2.gz LZFBYXRWNUAFGE-NSHDSACASA-N 1 3 214.328 1.810 20 0 BDADHO NCC1(C[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC001580243944 986698215 /nfs/dbraw/zinc/69/82/15/986698215.db2.gz NDYBTFGGXRHUHL-AWEZNQCLSA-N 1 3 248.370 1.309 20 0 BDADHO [NH3+]CC1(CN[C@@H]2Cc3ccccc3[C@H]2O)CCC1 ZINC001580243542 986698983 /nfs/dbraw/zinc/69/89/83/986698983.db2.gz KONBTKPPSNYWMF-ZIAGYGMSSA-N 1 3 246.354 1.363 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CC1=CCCC1 ZINC001580253036 986703774 /nfs/dbraw/zinc/70/37/74/986703774.db2.gz GCPOKINQCHOFLV-CHWSQXEVSA-N 1 3 206.333 1.910 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001580430700 986847717 /nfs/dbraw/zinc/84/77/17/986847717.db2.gz VTGMMQFSHSQFNP-XSPKLOCKSA-N 1 3 238.253 1.176 20 0 BDADHO CN1CCC[C@H](N2CCC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001255490817 986991105 /nfs/dbraw/zinc/99/11/05/986991105.db2.gz YIGHTGYVKSIBKE-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CCC[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@@H]32)C1 ZINC001255490817 986991114 /nfs/dbraw/zinc/99/11/14/986991114.db2.gz YIGHTGYVKSIBKE-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO NC1(C[NH2+]C[C@H](O)c2ccccc2)CCCC1 ZINC001245977672 987247756 /nfs/dbraw/zinc/24/77/56/987247756.db2.gz ZFDZJYIAXCXANB-ZDUSSCGKSA-N 1 3 234.343 1.581 20 0 BDADHO CCCCC[C@@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245982544 987258863 /nfs/dbraw/zinc/25/88/63/987258863.db2.gz FWNXGWOTIPVJIZ-CHWSQXEVSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@@]1([NH3+])CCCN(C[C@H](O)c2ccccc2)CC1 ZINC001246022923 987312483 /nfs/dbraw/zinc/31/24/83/987312483.db2.gz QYFVLABNFKUADZ-LSDHHAIUSA-N 1 3 248.370 1.923 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001246027706 987324456 /nfs/dbraw/zinc/32/44/56/987324456.db2.gz YGXAODZFSLFGDB-OLZOCXBDSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CCC[C@]12CCCNC2 ZINC001246027706 987324466 /nfs/dbraw/zinc/32/44/66/987324466.db2.gz YGXAODZFSLFGDB-OLZOCXBDSA-N 1 3 226.364 1.221 20 0 BDADHO CCCCC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246045892 987339741 /nfs/dbraw/zinc/33/97/41/987339741.db2.gz LNULWJKFQLYCLQ-FRRDWIJNSA-N 1 3 226.364 1.351 20 0 BDADHO CCCCC[C@H](O)C[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246045892 987339744 /nfs/dbraw/zinc/33/97/44/987339744.db2.gz LNULWJKFQLYCLQ-FRRDWIJNSA-N 1 3 226.364 1.351 20 0 BDADHO COCCCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000697052283 987346384 /nfs/dbraw/zinc/34/63/84/987346384.db2.gz MUFVIQNMEUHYHC-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO CC1(C)C[C@H]([NH2+]CC2(N)CCCC2)CO1 ZINC001246074053 987364990 /nfs/dbraw/zinc/36/49/90/987364990.db2.gz BQSJGTJYPOSTGV-JTQLQIEISA-N 1 3 212.337 1.415 20 0 BDADHO CCCC[C@@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246079113 987370567 /nfs/dbraw/zinc/37/05/67/987370567.db2.gz CMDWAHUVPCADPP-GRYCIOLGSA-N 1 3 232.343 1.217 20 0 BDADHO CC1(C)C[C@@H]([NH2+][C@@H]2CCCCNC2)CO1 ZINC001246092043 987397617 /nfs/dbraw/zinc/39/76/17/987397617.db2.gz RTAGEONVPNBLBN-GHMZBOCLSA-N 1 3 212.337 1.286 20 0 BDADHO CC1(C)C[C@@H](N[C@H]2CCCC[NH2+]C2)CCO1 ZINC001246092627 987400924 /nfs/dbraw/zinc/40/09/24/987400924.db2.gz SZHSHRZGDHNBEH-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO CC1(C)C[C@H](N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC001246092629 987401467 /nfs/dbraw/zinc/40/14/67/987401467.db2.gz SZHSHRZGDHNBEH-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCOC2)C[NH2+]1 ZINC001246096879 987407443 /nfs/dbraw/zinc/40/74/43/987407443.db2.gz NGVXFUOHZUNREP-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCCOCC2)[NH2+]C1 ZINC001246104108 987429920 /nfs/dbraw/zinc/42/99/20/987429920.db2.gz JHYMXCWWMMDJIS-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104023 987430495 /nfs/dbraw/zinc/43/04/95/987430495.db2.gz ZOCLKUIIJNOBOH-GRYCIOLGSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]1OCC[C@H]1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246109920 987443403 /nfs/dbraw/zinc/44/34/03/987443403.db2.gz LDXPCXBBXPGRGY-WHOHXGKFSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1CCCOC1 ZINC001246111926 987446931 /nfs/dbraw/zinc/44/69/31/987446931.db2.gz PNJLWSRYSCTDFT-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@@H]1COC(C)(C)C1 ZINC001246115284 987454178 /nfs/dbraw/zinc/45/41/78/987454178.db2.gz YKKMTKGSUYJFAZ-SRVKXCTJSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)CCC[C@@H](C)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139686 987498267 /nfs/dbraw/zinc/49/82/67/987498267.db2.gz VQOAZEABGWYCGE-AAVRWANBSA-N 1 3 240.391 1.778 20 0 BDADHO CC[C@H](C)[C@@H](CO)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246150629 987509359 /nfs/dbraw/zinc/50/93/59/987509359.db2.gz ANBSPIWTOCEYRE-NNYUYHANSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)CCN1 ZINC001246222146 987619981 /nfs/dbraw/zinc/61/99/81/987619981.db2.gz LHVKJBGWSDHBDT-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO CCOC(CC[NH2+][C@H]1CCN[C@H](C)C1)OCC ZINC001246234895 987631786 /nfs/dbraw/zinc/63/17/86/987631786.db2.gz WKPVPCANQPUYTO-NEPJUHHUSA-N 1 3 244.379 1.506 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246250993 987649352 /nfs/dbraw/zinc/64/93/52/987649352.db2.gz YGWAHSNBBZUHMA-KXUCPTDWSA-N 1 3 208.309 1.216 20 0 BDADHO Cc1ccnc(CCN[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246255130 987651390 /nfs/dbraw/zinc/65/13/90/987651390.db2.gz KJCJQBDDQBBLTP-GXTWGEPZSA-N 1 3 233.359 1.663 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CCF)CC2)CN1 ZINC001246273269 987666788 /nfs/dbraw/zinc/66/67/88/987666788.db2.gz PSRZEWJYEJQOPB-DGCLKSJQSA-N 1 3 243.370 1.150 20 0 BDADHO C[C@@H]1CC[C@@H](NC2CCN(CCF)CC2)C[NH2+]1 ZINC001246273269 987666789 /nfs/dbraw/zinc/66/67/89/987666789.db2.gz PSRZEWJYEJQOPB-DGCLKSJQSA-N 1 3 243.370 1.150 20 0 BDADHO C[NH2+]CC[C@@H](C)NC[C@H]1Cc2ccccc2CN1 ZINC001246277436 987671968 /nfs/dbraw/zinc/67/19/68/987671968.db2.gz JEHQGEAHYMMWCV-IUODEOHRSA-N 1 3 247.386 1.289 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCCC3)[C@H]2C1 ZINC001474301167 987682177 /nfs/dbraw/zinc/68/21/77/987682177.db2.gz GKZRGZZBTOPVPV-DRZSPHRISA-N 1 3 208.349 1.859 20 0 BDADHO C[C@H](Cc1ccccn1)NCC[C@H](C)[NH3+] ZINC001246304284 987701707 /nfs/dbraw/zinc/70/17/07/987701707.db2.gz LEOXQXSGZBAULD-WDEREUQCSA-N 1 3 207.321 1.340 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1Cc2ccc(OC)cc2C1 ZINC001246312692 987715612 /nfs/dbraw/zinc/71/56/12/987715612.db2.gz GYGTZZAIGQNBNU-QWHCGFSZSA-N 1 3 234.343 1.489 20 0 BDADHO c1ccc2c(c1)CC(CN[C@H]1CCC[NH2+]C1)C2 ZINC001246369898 987772382 /nfs/dbraw/zinc/77/23/82/987772382.db2.gz DJBXMQZCZNTZGG-HNNXBMFYSA-N 1 3 230.355 1.743 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CC2(c3cnccn3)CC2)CN1 ZINC001246388943 987780395 /nfs/dbraw/zinc/78/03/95/987780395.db2.gz NWWGXYBOVBOKID-NEPJUHHUSA-N 1 3 246.358 1.238 20 0 BDADHO C1=C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246408297 987788472 /nfs/dbraw/zinc/78/84/72/987788472.db2.gz QQFPWQNNVIZVNP-FKJOKYEKSA-N 1 3 206.333 1.968 20 0 BDADHO CC[C@H](CC(C)C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416853 987789789 /nfs/dbraw/zinc/78/97/89/987789789.db2.gz NMOFXRDAWGQEQV-NEPJUHHUSA-N 1 3 243.395 1.384 20 0 BDADHO CC1(C)CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246416779 987791199 /nfs/dbraw/zinc/79/11/99/987791199.db2.gz LUMUXKZVHYQRCY-MNOVXSKESA-N 1 3 241.379 1.138 20 0 BDADHO CC1(C)CCC[C@@H]([NH2+][C@H]2CC23CNC3)C1 ZINC001246448480 987807188 /nfs/dbraw/zinc/80/71/88/987807188.db2.gz YUIWRLJOLUWKOQ-MNOVXSKESA-N 1 3 208.349 1.907 20 0 BDADHO C1=CO[C@H](C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001474735460 987813527 /nfs/dbraw/zinc/81/35/27/987813527.db2.gz PMKXLMDTNRQCTH-KBPBESRZSA-N 1 3 236.359 1.611 20 0 BDADHO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CCCNCC1 ZINC001246524363 987875080 /nfs/dbraw/zinc/87/50/80/987875080.db2.gz ITDBGDFKXKRRJR-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@@H](C)OCC[C@@H](C)[N@H+]1CCCNCC1 ZINC001246524363 987875082 /nfs/dbraw/zinc/87/50/82/987875082.db2.gz ITDBGDFKXKRRJR-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H]1C[N@@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1CN ZINC001246541017 987912739 /nfs/dbraw/zinc/91/27/39/987912739.db2.gz LKDDVCNUKTUBGH-FPYNETTCSA-N 1 3 222.376 1.948 20 0 BDADHO C[C@H]1C[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1CN ZINC001246541017 987912751 /nfs/dbraw/zinc/91/27/51/987912751.db2.gz LKDDVCNUKTUBGH-FPYNETTCSA-N 1 3 222.376 1.948 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542021 987914221 /nfs/dbraw/zinc/91/42/21/987914221.db2.gz IODLXQGXMOSBJU-WISYIIOYSA-N 1 3 240.347 1.140 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542021 987914232 /nfs/dbraw/zinc/91/42/32/987914232.db2.gz IODLXQGXMOSBJU-WISYIIOYSA-N 1 3 240.347 1.140 20 0 BDADHO CC[C@H]1C[C@H](N2CC[C@@H]([NH3+])[C@H]2C)CCO1 ZINC001246552702 987951509 /nfs/dbraw/zinc/95/15/09/987951509.db2.gz YXKZYXSYCOMAKD-WISYIIOYSA-N 1 3 212.337 1.366 20 0 BDADHO CC(C)=CCC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557175 987976557 /nfs/dbraw/zinc/97/65/57/987976557.db2.gz FKQFUYZRHDVMDL-JHJVBQTASA-N 1 3 226.364 1.515 20 0 BDADHO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557175 987976572 /nfs/dbraw/zinc/97/65/72/987976572.db2.gz FKQFUYZRHDVMDL-JHJVBQTASA-N 1 3 226.364 1.515 20 0 BDADHO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557175 987976589 /nfs/dbraw/zinc/97/65/89/987976589.db2.gz FKQFUYZRHDVMDL-JHJVBQTASA-N 1 3 226.364 1.515 20 0 BDADHO COC[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246579092 988098565 /nfs/dbraw/zinc/09/85/65/988098565.db2.gz APQYYBLZDVJQJE-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246579092 988098579 /nfs/dbraw/zinc/09/85/79/988098579.db2.gz APQYYBLZDVJQJE-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO Cc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)[C@@H](CN)C2)cc1 ZINC001246579604 988101967 /nfs/dbraw/zinc/10/19/67/988101967.db2.gz KAKONXQDCYMRHB-QEJZJMRPSA-N 1 3 248.370 1.177 20 0 BDADHO Cc1ccc(C[C@H](C)[N@H+]2C[C@H](O)[C@@H](CN)C2)cc1 ZINC001246579604 988101973 /nfs/dbraw/zinc/10/19/73/988101973.db2.gz KAKONXQDCYMRHB-QEJZJMRPSA-N 1 3 248.370 1.177 20 0 BDADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580071 988103443 /nfs/dbraw/zinc/10/34/43/988103443.db2.gz KPRXBIDGIPROGO-MQYQWHSLSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580071 988103453 /nfs/dbraw/zinc/10/34/53/988103453.db2.gz KPRXBIDGIPROGO-MQYQWHSLSA-N 1 3 242.407 1.843 20 0 BDADHO CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582761 988119770 /nfs/dbraw/zinc/11/97/70/988119770.db2.gz HMMUSGYRGBYLFM-CYDGBPFRSA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582761 988119787 /nfs/dbraw/zinc/11/97/87/988119787.db2.gz HMMUSGYRGBYLFM-CYDGBPFRSA-N 1 3 228.380 1.453 20 0 BDADHO CN1CC[C@H]([N@@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246583360 988121875 /nfs/dbraw/zinc/12/18/75/988121875.db2.gz JURDXDKFUBVOFZ-STQMWFEESA-N 1 3 225.380 1.141 20 0 BDADHO CN1CC[C@H]([N@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246583360 988121889 /nfs/dbraw/zinc/12/18/89/988121889.db2.gz JURDXDKFUBVOFZ-STQMWFEESA-N 1 3 225.380 1.141 20 0 BDADHO NC[C@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582930 988128065 /nfs/dbraw/zinc/12/80/65/988128065.db2.gz PEWYGZUSMMTXEM-NDBYEHHHSA-N 1 3 208.349 1.846 20 0 BDADHO NC[C@H]1CCCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582930 988128068 /nfs/dbraw/zinc/12/80/68/988128068.db2.gz PEWYGZUSMMTXEM-NDBYEHHHSA-N 1 3 208.349 1.846 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246585834 988134435 /nfs/dbraw/zinc/13/44/35/988134435.db2.gz RGSBJDUSWQZTGG-RVMXOQNASA-N 1 3 240.391 1.453 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246585834 988134444 /nfs/dbraw/zinc/13/44/44/988134444.db2.gz RGSBJDUSWQZTGG-RVMXOQNASA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246590334 988168699 /nfs/dbraw/zinc/16/86/99/988168699.db2.gz SKCKKNFFUBYMSJ-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246590334 988168716 /nfs/dbraw/zinc/16/87/16/988168716.db2.gz SKCKKNFFUBYMSJ-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590334 988168728 /nfs/dbraw/zinc/16/87/28/988168728.db2.gz SKCKKNFFUBYMSJ-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C1CO[C@]2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246608905 988233776 /nfs/dbraw/zinc/23/37/76/988233776.db2.gz VYUMGPHAEQFQQS-QNMSZWNNSA-N 1 3 236.359 1.524 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618522 988254521 /nfs/dbraw/zinc/25/45/21/988254521.db2.gz LQLYAAPFAFINLG-RFGFWPKPSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618522 988254531 /nfs/dbraw/zinc/25/45/31/988254531.db2.gz LQLYAAPFAFINLG-RFGFWPKPSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618520 988254981 /nfs/dbraw/zinc/25/49/81/988254981.db2.gz LQLYAAPFAFINLG-MQYQWHSLSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618520 988254998 /nfs/dbraw/zinc/25/49/98/988254998.db2.gz LQLYAAPFAFINLG-MQYQWHSLSA-N 1 3 237.391 1.201 20 0 BDADHO FC1(F)C[C@H]2C[N@H+](C3CCNCC3)C[C@H]2C1 ZINC001246640156 988333206 /nfs/dbraw/zinc/33/32/06/988333206.db2.gz SMFJGYJZMABPIG-AOOOYVTPSA-N 1 3 230.302 1.716 20 0 BDADHO FC1(F)C[C@H]2C[N@@H+](C3CCNCC3)C[C@H]2C1 ZINC001246640156 988333220 /nfs/dbraw/zinc/33/32/20/988333220.db2.gz SMFJGYJZMABPIG-AOOOYVTPSA-N 1 3 230.302 1.716 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CCN1 ZINC001246645505 988364099 /nfs/dbraw/zinc/36/40/99/988364099.db2.gz BSJWYXHYNVWVKC-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CCN1 ZINC001246645505 988364107 /nfs/dbraw/zinc/36/41/07/988364107.db2.gz BSJWYXHYNVWVKC-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1C[C@@H](N2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670078 988408393 /nfs/dbraw/zinc/40/83/93/988408393.db2.gz WFFAZSYEPLDAFS-MMWGEVLESA-N 1 3 246.301 1.093 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246688233 988437716 /nfs/dbraw/zinc/43/77/16/988437716.db2.gz DNRCMPARTOHLRM-WUHRBBMRSA-N 1 3 225.380 1.151 20 0 BDADHO CC(C)(C)[C@H]1C[C@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246819863 988501970 /nfs/dbraw/zinc/50/19/70/988501970.db2.gz KQFJLYIMQIDVML-WRWGMCAJSA-N 1 3 243.370 1.134 20 0 BDADHO C[NH2+]CC[C@@H](C)N1CCN[C@@H](c2ccccc2)C1 ZINC001246823551 988508373 /nfs/dbraw/zinc/50/83/73/988508373.db2.gz CSINLLKUWSIQLE-UKRRQHHQSA-N 1 3 247.386 1.631 20 0 BDADHO C[C@@H]1C[C@H](N2CCN[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828945 988524097 /nfs/dbraw/zinc/52/40/97/988524097.db2.gz TXGSZYRBVREYNM-VHDGCEQUSA-N 1 3 245.370 1.383 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246838393 988541505 /nfs/dbraw/zinc/54/15/05/988541505.db2.gz HGGLFAHUGXJBTA-SDDRHHMPSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246838393 988541518 /nfs/dbraw/zinc/54/15/18/988541518.db2.gz HGGLFAHUGXJBTA-SDDRHHMPSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246838393 988541527 /nfs/dbraw/zinc/54/15/27/988541527.db2.gz HGGLFAHUGXJBTA-SDDRHHMPSA-N 1 3 240.347 1.154 20 0 BDADHO COC[C@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001246915153 988708875 /nfs/dbraw/zinc/70/88/75/988708875.db2.gz VQHXLLIHXDEWBB-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO COC[C@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001246915153 988708883 /nfs/dbraw/zinc/70/88/83/988708883.db2.gz VQHXLLIHXDEWBB-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC001246977582 988812506 /nfs/dbraw/zinc/81/25/06/988812506.db2.gz DYMPVEDJQFRBAZ-HZSPNIEDSA-N 1 3 239.407 1.541 20 0 BDADHO c1ccc(C[C@@H]2C[C@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246989736 988820625 /nfs/dbraw/zinc/82/06/25/988820625.db2.gz GXNBFIFRQPCZOY-HUUCEWRRSA-N 1 3 245.370 1.212 20 0 BDADHO C1=C2NCCN(C3CC[NH2+]CC3)[C@@H]2CCC1 ZINC001246993381 988825779 /nfs/dbraw/zinc/82/57/79/988825779.db2.gz GWYJOGLJGMRUHK-CYBMUJFWSA-N 1 3 221.348 1.080 20 0 BDADHO C[C@H]1C[C@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996530 988828181 /nfs/dbraw/zinc/82/81/81/988828181.db2.gz PBGBFFFZAKGMPQ-OUCADQQQSA-N 1 3 235.375 1.469 20 0 BDADHO CO[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)[C@H](C)C1 ZINC001246997259 988829640 /nfs/dbraw/zinc/82/96/40/988829640.db2.gz TVMHHUMKYQECOM-QNWHQSFQSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)[C@H](C)C1 ZINC001246997259 988829645 /nfs/dbraw/zinc/82/96/45/988829645.db2.gz TVMHHUMKYQECOM-QNWHQSFQSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@H]1C[C@@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996748 988830287 /nfs/dbraw/zinc/83/02/87/988830287.db2.gz PBGBFFFZAKGMPQ-SGMGOOAPSA-N 1 3 235.375 1.469 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CCN1 ZINC001247000844 988830887 /nfs/dbraw/zinc/83/08/87/988830887.db2.gz HCJYAXDEXOKGLS-LPWJVIDDSA-N 1 3 236.359 1.428 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CCN1 ZINC001247000844 988830884 /nfs/dbraw/zinc/83/08/84/988830884.db2.gz HCJYAXDEXOKGLS-LPWJVIDDSA-N 1 3 236.359 1.428 20 0 BDADHO CC[C@H]1CC(N2CCNC2)C[C@H](CC)[NH2+]1 ZINC001246997610 988831410 /nfs/dbraw/zinc/83/14/10/988831410.db2.gz WEXGDFCAPMHJIH-QWRGUYRKSA-N 1 3 211.353 1.158 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CCN1 ZINC001247000841 988833500 /nfs/dbraw/zinc/83/35/00/988833500.db2.gz HCJYAXDEXOKGLS-FDYHWXHSSA-N 1 3 236.359 1.428 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CCN1 ZINC001247000841 988833504 /nfs/dbraw/zinc/83/35/04/988833504.db2.gz HCJYAXDEXOKGLS-FDYHWXHSSA-N 1 3 236.359 1.428 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)NCC[C@@H](C)[NH2+]C ZINC001326036311 989335462 /nfs/dbraw/zinc/33/54/62/989335462.db2.gz PAJJKMRZHQVQBM-VXGBXAGGSA-N 1 3 243.395 1.221 20 0 BDADHO CCN1C[C@@H](C)N(C[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC001119693210 989339330 /nfs/dbraw/zinc/33/93/30/989339330.db2.gz WBGBXZNRAKJZEC-BFHYXJOUSA-N 1 3 239.407 1.495 20 0 BDADHO CCN1C[C@@H](C)N(C[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC001119693210 989339346 /nfs/dbraw/zinc/33/93/46/989339346.db2.gz WBGBXZNRAKJZEC-BFHYXJOUSA-N 1 3 239.407 1.495 20 0 BDADHO C[NH2+][C@@H](C)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC001326243440 989440359 /nfs/dbraw/zinc/44/03/59/989440359.db2.gz BDPVVXOWDAOKLI-WCQYABFASA-N 1 3 249.358 1.191 20 0 BDADHO C[C@H](NCCc1ccc(N(C)C)cc1)C1C[NH2+]C1 ZINC001326458794 989568071 /nfs/dbraw/zinc/56/80/71/989568071.db2.gz KRUDHKNIZKABGC-LBPRGKRZSA-N 1 3 247.386 1.493 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c[nH]cn3)C[C@H]2C1 ZINC001120072147 989588705 /nfs/dbraw/zinc/58/87/05/989588705.db2.gz RSUBSCMTIFAMAF-YRGRVCCFSA-N 1 3 248.374 1.572 20 0 BDADHO CSC[C@@H](O)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001120485546 989671375 /nfs/dbraw/zinc/67/13/75/989671375.db2.gz OQVJSJYQYAOVFH-RYUDHWBXSA-N 1 3 246.420 1.030 20 0 BDADHO CSC[C@@H](O)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001120485546 989671383 /nfs/dbraw/zinc/67/13/83/989671383.db2.gz OQVJSJYQYAOVFH-RYUDHWBXSA-N 1 3 246.420 1.030 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc2c1CNC2 ZINC001122222111 990297009 /nfs/dbraw/zinc/29/70/09/990297009.db2.gz NOVRIZCXWGKPRF-CMPLNLGQSA-N 1 3 245.326 1.356 20 0 BDADHO Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308555393 991036600 /nfs/dbraw/zinc/03/66/00/991036600.db2.gz VOMWUDIWFOBCSF-RRFJBIMHSA-N 1 3 245.370 1.820 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)[C@@H]1CCCO1 ZINC001308984902 991251546 /nfs/dbraw/zinc/25/15/46/991251546.db2.gz QFHXKHLBJGQZKT-MRTXSQPYSA-N 1 3 238.375 1.484 20 0 BDADHO C[C@H]1C[C@@H](O)CN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001559913329 991326360 /nfs/dbraw/zinc/32/63/60/991326360.db2.gz NHSRSXIPWPCBBL-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1C[C@@H](O)CN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC001559913329 991326369 /nfs/dbraw/zinc/32/63/69/991326369.db2.gz NHSRSXIPWPCBBL-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CCC[N@H+](CCCN)[C@@H](C)CCC(=O)OCC ZINC001258475094 991444754 /nfs/dbraw/zinc/44/47/54/991444754.db2.gz AHBASTQUIILEAL-LBPRGKRZSA-N 1 3 244.379 1.779 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H](C)CCC(=O)OCC ZINC001258475094 991444762 /nfs/dbraw/zinc/44/47/62/991444762.db2.gz AHBASTQUIILEAL-LBPRGKRZSA-N 1 3 244.379 1.779 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2C[C@](C)(O)C2)CC1 ZINC001258766072 991727280 /nfs/dbraw/zinc/72/72/80/991727280.db2.gz LUVVQAXTZJUQCM-JOCQHMNTSA-N 1 3 226.364 1.364 20 0 BDADHO CCC[NH+]1CCC(N2CCC[C@H](O)C2)CC1 ZINC001258771629 991735248 /nfs/dbraw/zinc/73/52/48/991735248.db2.gz MEEDPGJKGGRRKE-ZDUSSCGKSA-N 1 3 226.364 1.318 20 0 BDADHO C(C1=NOCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC001574794572 992907009 /nfs/dbraw/zinc/90/70/09/992907009.db2.gz DYAYHGWPVIYCRA-UHFFFAOYSA-N 1 3 237.347 1.228 20 0 BDADHO CC(C)(C)OC(=O)CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001575161145 993000681 /nfs/dbraw/zinc/00/06/81/993000681.db2.gz WINLFMHETPAMLF-NXEZZACHSA-N 1 3 242.363 1.434 20 0 BDADHO CC(C)[C@@H](CN)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001575423328 993040690 /nfs/dbraw/zinc/04/06/90/993040690.db2.gz SASUGIDHIIUFRN-RYUDHWBXSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@@H](CN)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001575423328 993040686 /nfs/dbraw/zinc/04/06/86/993040686.db2.gz SASUGIDHIIUFRN-RYUDHWBXSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@@H](C[NH3+])CN1C[C@@H](O)CC(C)(C)C1 ZINC001575423328 993040695 /nfs/dbraw/zinc/04/06/95/993040695.db2.gz SASUGIDHIIUFRN-RYUDHWBXSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@H](CN)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001575423324 993042560 /nfs/dbraw/zinc/04/25/60/993042560.db2.gz SASUGIDHIIUFRN-NEPJUHHUSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@H](CN)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC001575423324 993042566 /nfs/dbraw/zinc/04/25/66/993042566.db2.gz SASUGIDHIIUFRN-NEPJUHHUSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@H](C[NH3+])CN1C[C@@H](O)CC(C)(C)C1 ZINC001575423324 993042571 /nfs/dbraw/zinc/04/25/71/993042571.db2.gz SASUGIDHIIUFRN-NEPJUHHUSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)CNC(=O)CCC[N@H+](C)CC(C)(C)N ZINC001575599014 993080699 /nfs/dbraw/zinc/08/06/99/993080699.db2.gz BTRASSULTYWFLA-UHFFFAOYSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)CNC(=O)CCC[N@@H+](C)CC(C)(C)N ZINC001575599014 993080703 /nfs/dbraw/zinc/08/07/03/993080703.db2.gz BTRASSULTYWFLA-UHFFFAOYSA-N 1 3 243.395 1.208 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001263107155 993118333 /nfs/dbraw/zinc/11/83/33/993118333.db2.gz PGBFAMSSXDYJFE-QCNOEVLYSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H]1O ZINC001575940975 993133030 /nfs/dbraw/zinc/13/30/30/993133030.db2.gz GBDKGURQSMNWQY-IRCOFANPSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@@H](CN)[N@H+](C)C[C@@]1(C)CCCCO1 ZINC001576004219 993154607 /nfs/dbraw/zinc/15/46/07/993154607.db2.gz AKKFZZXDSJCTAB-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@@H](CN)[N@@H+](C)C[C@@]1(C)CCCCO1 ZINC001576004219 993154612 /nfs/dbraw/zinc/15/46/12/993154612.db2.gz AKKFZZXDSJCTAB-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@@H](Cc1ccno1)[NH2+]CC1(N)CCC1 ZINC001576066397 993170073 /nfs/dbraw/zinc/17/00/73/993170073.db2.gz NUNIJEWZNCJNTR-VIFPVBQESA-N 1 3 209.293 1.077 20 0 BDADHO C[C@@H](Cc1ccno1)N[C@H]1CCC[NH2+]CC1 ZINC001576067760 993170450 /nfs/dbraw/zinc/17/04/50/993170450.db2.gz ZXYDDXVHUVEPEZ-QWRGUYRKSA-N 1 3 223.320 1.337 20 0 BDADHO CC(C)OC(=O)C[C@H](NC[C@@H](C)[NH3+])C(C)C ZINC001576158757 993198654 /nfs/dbraw/zinc/19/86/54/993198654.db2.gz JHXPVYVVUDVUAL-MNOVXSKESA-N 1 3 230.352 1.290 20 0 BDADHO NC[C@H]1CCCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000379936049 993297079 /nfs/dbraw/zinc/29/70/79/993297079.db2.gz XIHSAGLUKUFPAT-VXGBXAGGSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@H]1CCCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000379936049 993297089 /nfs/dbraw/zinc/29/70/89/993297089.db2.gz XIHSAGLUKUFPAT-VXGBXAGGSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@H]1CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000379936046 993298406 /nfs/dbraw/zinc/29/84/06/993298406.db2.gz XIHSAGLUKUFPAT-NEPJUHHUSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@H]1CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC000379936046 993298415 /nfs/dbraw/zinc/29/84/15/993298415.db2.gz XIHSAGLUKUFPAT-NEPJUHHUSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC000380034371 993308709 /nfs/dbraw/zinc/30/87/09/993308709.db2.gz QAGWQEYIBUVLKJ-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO NC[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC000380034371 993308721 /nfs/dbraw/zinc/30/87/21/993308721.db2.gz QAGWQEYIBUVLKJ-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)CCO ZINC000380171896 993317626 /nfs/dbraw/zinc/31/76/26/993317626.db2.gz HWZKNEFAFSJTHI-NWDGAFQWSA-N 1 3 216.369 1.467 20 0 BDADHO CC1(C)[C@H]2[C@H](CCCN2C[C@H]2CC[NH2+]C2)[C@@H]1O ZINC001576495417 993322096 /nfs/dbraw/zinc/32/20/96/993322096.db2.gz TWCAUYLVVLXFPE-RVMXOQNASA-N 1 3 238.375 1.077 20 0 BDADHO COC1(C)CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 ZINC000381089653 993368827 /nfs/dbraw/zinc/36/88/27/993368827.db2.gz USXPBUOLJIPYSE-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO COC1(C)CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000381089653 993368832 /nfs/dbraw/zinc/36/88/32/993368832.db2.gz USXPBUOLJIPYSE-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC001576666272 993386359 /nfs/dbraw/zinc/38/63/59/993386359.db2.gz KMUWIAFXTIEWNF-GMTAPVOTSA-N 1 3 223.320 1.336 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C[C@@H]1CO ZINC001576728989 993405038 /nfs/dbraw/zinc/40/50/38/993405038.db2.gz BKTZFCILYQWLCP-MGPQQGTHSA-N 1 3 240.391 1.326 20 0 BDADHO CC[C@@H](C)[C@@H](C(=O)OC)N1CCC(C[NH3+])CC1 ZINC001576966782 993472387 /nfs/dbraw/zinc/47/23/87/993472387.db2.gz LIINLVKZYKEKHA-PWSUYJOCSA-N 1 3 242.363 1.245 20 0 BDADHO CCC(CC)(CN)C[N@H+](C)C1CC(O)C1 ZINC001577050737 993489609 /nfs/dbraw/zinc/48/96/09/993489609.db2.gz AZEKLDWYJXKQAT-UHFFFAOYSA-N 1 3 214.353 1.207 20 0 BDADHO CCC(CC)(CN)C[N@@H+](C)C1CC(O)C1 ZINC001577050737 993489613 /nfs/dbraw/zinc/48/96/13/993489613.db2.gz AZEKLDWYJXKQAT-UHFFFAOYSA-N 1 3 214.353 1.207 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@H](C)C[S@](C)=O ZINC001577051829 993490388 /nfs/dbraw/zinc/49/03/88/993490388.db2.gz AKOQUVIUFYPHMV-BMIGLBTASA-N 1 3 234.409 1.108 20 0 BDADHO CC[C@H](C[NH2+]C[C@@H](CN)C(C)C)C(=O)OC ZINC001577091237 993503989 /nfs/dbraw/zinc/50/39/89/993503989.db2.gz ZHUSXJVOKICKHF-GHMZBOCLSA-N 1 3 230.352 1.006 20 0 BDADHO CCC(O)(CC)CNC[C@@H]([NH3+])CC(F)F ZINC001577179221 993534050 /nfs/dbraw/zinc/53/40/50/993534050.db2.gz GOXOYFPWBKZZCT-QMMMGPOBSA-N 1 3 224.295 1.110 20 0 BDADHO CC[C@]1(C)CCCN(C[C@@]2(O)CC[NH2+]C2)C1 ZINC001577205652 993547915 /nfs/dbraw/zinc/54/79/15/993547915.db2.gz VVTYUEMRNDHTJA-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO CC[NH+]1CCC(n2cnc3c2CNCC3)CC1 ZINC000387327789 993704141 /nfs/dbraw/zinc/70/41/41/993704141.db2.gz CNTXWBILUOCWKL-UHFFFAOYSA-N 1 3 234.347 1.186 20 0 BDADHO CC[C@@H](C)N(C)C[C@@H](O)C[NH+](CC)CC ZINC000389666117 993758281 /nfs/dbraw/zinc/75/82/81/993758281.db2.gz OIXBPSADVZENIP-VXGBXAGGSA-N 1 3 216.369 1.419 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN1CCC[C@@H](C)CC1 ZINC000393884613 994019264 /nfs/dbraw/zinc/01/92/64/994019264.db2.gz QGAWUSCKNKJIQU-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN1CCC[C@H](C)CC1 ZINC000393884614 994019573 /nfs/dbraw/zinc/01/95/73/994019573.db2.gz QGAWUSCKNKJIQU-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCSC1 ZINC000822127075 994416562 /nfs/dbraw/zinc/41/65/62/994416562.db2.gz FFAKEAJWNZEFFH-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO CC(C)(C)C[N@H+](CCO)CC(C)(C)N ZINC000379826085 398169665 /nfs/dbraw/zinc/16/96/65/398169665.db2.gz WROVOHUBMLYZIO-UHFFFAOYSA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)(C)C[N@@H+](CCO)CC(C)(C)N ZINC000379826085 398169667 /nfs/dbraw/zinc/16/96/67/398169667.db2.gz WROVOHUBMLYZIO-UHFFFAOYSA-N 1 3 202.342 1.064 20 0 BDADHO CCc1nnc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])[n-]1 ZINC000423021512 398162155 /nfs/dbraw/zinc/16/21/55/398162155.db2.gz FNDSFGJYUILOJZ-UWVGGRQHSA-N 1 3 239.367 1.535 20 0 BDADHO CCc1nnc([C@H](C)N[C@@H](C)CCCC[NH3+])[nH]1 ZINC000423021512 398162158 /nfs/dbraw/zinc/16/21/58/398162158.db2.gz FNDSFGJYUILOJZ-UWVGGRQHSA-N 1 3 239.367 1.535 20 0 BDADHO OC[C@H](CC1CCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000423022695 398162312 /nfs/dbraw/zinc/16/23/12/398162312.db2.gz IEXIUSZEVLFIDS-KGLIPLIRSA-N 1 3 240.391 1.659 20 0 BDADHO OC[C@H](CC1CCCC1)[NH2+][C@@H]1CCCNCC1 ZINC000423022695 398162316 /nfs/dbraw/zinc/16/23/16/398162316.db2.gz IEXIUSZEVLFIDS-KGLIPLIRSA-N 1 3 240.391 1.659 20 0 BDADHO COC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C(C)C ZINC000423327078 398166320 /nfs/dbraw/zinc/16/63/20/398166320.db2.gz LAXBZELUTFBZHZ-CHWSQXEVSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@@H](NC[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327078 398166322 /nfs/dbraw/zinc/16/63/22/398166322.db2.gz LAXBZELUTFBZHZ-CHWSQXEVSA-N 1 3 228.380 1.637 20 0 BDADHO Cc1cc(N2CC[C@@H](N3CC=CC3)C2)cc[nH+]1 ZINC000274898550 178117541 /nfs/dbraw/zinc/11/75/41/178117541.db2.gz KRCOKSBRCRXYHQ-CQSZACIVSA-N 1 3 229.327 1.841 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000069720628 398213566 /nfs/dbraw/zinc/21/35/66/398213566.db2.gz BIPLKOCMJCGGSZ-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCOC1 ZINC000069720628 398213568 /nfs/dbraw/zinc/21/35/68/398213568.db2.gz BIPLKOCMJCGGSZ-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO Cc1cc(NC2CCN(C)CC2)cc[nH+]1 ZINC000229561420 178155266 /nfs/dbraw/zinc/15/52/66/178155266.db2.gz CTJQUCWLRCHSPG-UHFFFAOYSA-N 1 3 205.305 1.896 20 0 BDADHO CN(C[C@@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000576368567 365580302 /nfs/dbraw/zinc/58/03/02/365580302.db2.gz AZUFOLSIVXYRQC-NEPJUHHUSA-N 1 3 228.380 1.454 20 0 BDADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413594 398212109 /nfs/dbraw/zinc/21/21/09/398212109.db2.gz OCZCTJHDWIFVFO-NSHDSACASA-N 1 3 222.336 1.231 20 0 BDADHO CCC[NH2+][C@H](C)C(=O)N(CCC)CCN(C)C ZINC000517152235 259302736 /nfs/dbraw/zinc/30/27/36/259302736.db2.gz MXRVBZIGHCDCNV-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132974185 398232923 /nfs/dbraw/zinc/23/29/23/398232923.db2.gz LJEVZWOJDREIBG-MDZLAQPJSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132974185 398232926 /nfs/dbraw/zinc/23/29/26/398232926.db2.gz LJEVZWOJDREIBG-MDZLAQPJSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)[C@@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000430778173 398230339 /nfs/dbraw/zinc/23/03/39/398230339.db2.gz PCJVPRNVXWPGBN-GHMZBOCLSA-N 1 3 243.395 1.062 20 0 BDADHO CC[C@@H](C)[C@@H](CNCCC[NH+](C)C)OC ZINC000381267029 398242764 /nfs/dbraw/zinc/24/27/64/398242764.db2.gz GNZJKDRBUSRXFK-VXGBXAGGSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@H]1CCCC[C@@H]1C[NH2+]CCOCCN(C)C ZINC000349190572 398245561 /nfs/dbraw/zinc/24/55/61/398245561.db2.gz KPSBWUCOOOKEQF-UONOGXRCSA-N 1 3 242.407 1.981 20 0 BDADHO CO[C@@H](C)CN(C[C@@H]1CC[NH2+]C1)C(C)C ZINC000390818951 398250666 /nfs/dbraw/zinc/25/06/66/398250666.db2.gz RZJKQILOYBMZDU-NWDGAFQWSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000576701957 365663068 /nfs/dbraw/zinc/66/30/68/365663068.db2.gz QBMVRXWMDZHMNN-QWRGUYRKSA-N 1 3 249.358 1.214 20 0 BDADHO CCOC1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000178443279 538952765 /nfs/dbraw/zinc/95/27/65/538952765.db2.gz DEBZTCUBYLLKPB-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000162169522 349583635 /nfs/dbraw/zinc/58/36/35/349583635.db2.gz XDQHLDHDYZSLRV-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000162169522 349583637 /nfs/dbraw/zinc/58/36/37/349583637.db2.gz XDQHLDHDYZSLRV-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000180507205 538958251 /nfs/dbraw/zinc/95/82/51/538958251.db2.gz WKVWVXQYNXWTRY-CMPLNLGQSA-N 1 3 236.363 1.711 20 0 BDADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000583937440 342728598 /nfs/dbraw/zinc/72/85/98/342728598.db2.gz NCVIGRJXTAOGCY-GRYCIOLGSA-N 1 3 241.379 1.103 20 0 BDADHO CC[NH+]1CCC(CNCc2cc(C)no2)CC1 ZINC000383731541 342737725 /nfs/dbraw/zinc/73/77/25/342737725.db2.gz HBVVBQFRONAJON-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO CCN1CCC([NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000335637608 136243097 /nfs/dbraw/zinc/24/30/97/136243097.db2.gz PYUQSIGFJLBHCS-YPMHNXCESA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000167203144 136244655 /nfs/dbraw/zinc/24/46/55/136244655.db2.gz YGLKODRVZILGKG-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000167203144 136244656 /nfs/dbraw/zinc/24/46/56/136244656.db2.gz YGLKODRVZILGKG-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CN1CC=C(C[NH2+]CCC2CCOCC2)CC1 ZINC000392855869 398335690 /nfs/dbraw/zinc/33/56/90/398335690.db2.gz KGEPBXAKAXBMEK-UHFFFAOYSA-N 1 3 238.375 1.655 20 0 BDADHO CC(C)([NH3+])CC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000648179251 398341622 /nfs/dbraw/zinc/34/16/22/398341622.db2.gz YEKAHHOWUNJFMN-NSHDSACASA-N 1 3 247.342 1.030 20 0 BDADHO CCc1ccccc1C[N@@H+]1CCCO[C@H](CN)C1 ZINC000313358676 259333873 /nfs/dbraw/zinc/33/38/73/259333873.db2.gz QXVGYXIVFJGDIX-OAHLLOKOSA-N 1 3 248.370 1.799 20 0 BDADHO CCc1ccccc1C[N@H+]1CCCO[C@H](CN)C1 ZINC000313358676 259333876 /nfs/dbraw/zinc/33/38/76/259333876.db2.gz QXVGYXIVFJGDIX-OAHLLOKOSA-N 1 3 248.370 1.799 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)[C@H](C)C1 ZINC000134645628 323025120 /nfs/dbraw/zinc/02/51/20/323025120.db2.gz SUIYHDNQDAJEAX-XJFOESAGSA-N 1 3 238.375 1.243 20 0 BDADHO C[N@H+](CCc1ccccc1)C1CCNCC1 ZINC000022012593 343035154 /nfs/dbraw/zinc/03/51/54/343035154.db2.gz VMBVZOWXRDYODM-UHFFFAOYSA-N 1 3 218.344 1.913 20 0 BDADHO C[N@@H+](CCc1ccccc1)C1CCNCC1 ZINC000022012593 343035156 /nfs/dbraw/zinc/03/51/56/343035156.db2.gz VMBVZOWXRDYODM-UHFFFAOYSA-N 1 3 218.344 1.913 20 0 BDADHO CC[NH+]1CCC(NCc2ccc(=O)[nH]c2)CC1 ZINC000392759759 349794310 /nfs/dbraw/zinc/79/43/10/349794310.db2.gz OKVLGMWPGKHVMV-UHFFFAOYSA-N 1 3 235.331 1.361 20 0 BDADHO COCCOCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000158951876 343201380 /nfs/dbraw/zinc/20/13/80/343201380.db2.gz SWRUWSZIODJTJA-CHWSQXEVSA-N 1 3 244.379 1.289 20 0 BDADHO Cn1nccc1CC[N@H+](C1CC1)C1CCNCC1 ZINC000634687415 343241036 /nfs/dbraw/zinc/24/10/36/343241036.db2.gz KLUIQQYLSWDJQN-UHFFFAOYSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1nccc1CC[N@@H+](C1CC1)C1CCNCC1 ZINC000634687415 343241039 /nfs/dbraw/zinc/24/10/39/343241039.db2.gz KLUIQQYLSWDJQN-UHFFFAOYSA-N 1 3 248.374 1.179 20 0 BDADHO C[C@H]1CC[C@@H](CN[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688022 343245468 /nfs/dbraw/zinc/24/54/68/343245468.db2.gz FUZKZHXYPDVOSE-NNYUYHANSA-N 1 3 212.337 1.413 20 0 BDADHO Cc1nccn1CCC[N@@H+](C)CC(C)(C)CN ZINC000348744755 136296069 /nfs/dbraw/zinc/29/60/69/136296069.db2.gz CDFACTGCJYXMGI-UHFFFAOYSA-N 1 3 238.379 1.498 20 0 BDADHO Cc1nccn1CCC[N@H+](C)CC(C)(C)CN ZINC000348744755 136296070 /nfs/dbraw/zinc/29/60/70/136296070.db2.gz CDFACTGCJYXMGI-UHFFFAOYSA-N 1 3 238.379 1.498 20 0 BDADHO Cc1nccn1CCCN(C)CC(C)(C)C[NH3+] ZINC000348744755 136296071 /nfs/dbraw/zinc/29/60/71/136296071.db2.gz CDFACTGCJYXMGI-UHFFFAOYSA-N 1 3 238.379 1.498 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000348757024 136297694 /nfs/dbraw/zinc/29/76/94/136297694.db2.gz SLPZSTJSJRYDPJ-YPMHNXCESA-N 1 3 236.363 1.251 20 0 BDADHO Cc1c[nH+]ccc1NCCN1CCCC1 ZINC000070047379 343297359 /nfs/dbraw/zinc/29/73/59/343297359.db2.gz CTRDZYFPSARTHZ-UHFFFAOYSA-N 1 3 205.305 1.898 20 0 BDADHO c1cncc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335631346 136300244 /nfs/dbraw/zinc/30/02/44/136300244.db2.gz AZCSCEKPRAGRGM-HUUCEWRRSA-N 1 3 245.370 1.903 20 0 BDADHO [NH3+]C1(CN[C@H]2CCCSC2)CCC1 ZINC000335647919 136304399 /nfs/dbraw/zinc/30/43/99/136304399.db2.gz COFOQDLSFARINY-VIFPVBQESA-N 1 3 200.351 1.353 20 0 BDADHO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNC2 ZINC000335653881 136306131 /nfs/dbraw/zinc/30/61/31/136306131.db2.gz ODJMXOJTMJXPFG-LBPRGKRZSA-N 1 3 245.326 1.370 20 0 BDADHO C[NH+](C)CCC1CCN(Cc2cn[nH]c2)CC1 ZINC000678208234 488216565 /nfs/dbraw/zinc/21/65/65/488216565.db2.gz HAZMKBOMEVSRBL-UHFFFAOYSA-N 1 3 236.363 1.573 20 0 BDADHO CSC[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261542346 136374357 /nfs/dbraw/zinc/37/43/57/136374357.db2.gz GSWVJVZDUFGBSN-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO COCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499911 536894759 /nfs/dbraw/zinc/89/47/59/536894759.db2.gz FFWZXGRTPWKHJY-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CCCN)C12CCC2 ZINC000083684780 343495851 /nfs/dbraw/zinc/49/58/51/343495851.db2.gz PCTQLCSVPWRHAL-MNOVXSKESA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH3+])C12CCC2 ZINC000083684780 343495854 /nfs/dbraw/zinc/49/58/54/343495854.db2.gz PCTQLCSVPWRHAL-MNOVXSKESA-N 1 3 212.337 1.273 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000309055976 346957214 /nfs/dbraw/zinc/95/72/14/346957214.db2.gz UKDGXTOYUHEIKS-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1CSCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000179249613 346978363 /nfs/dbraw/zinc/97/83/63/346978363.db2.gz URJKUOIPASQPNQ-RYUDHWBXSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@H]1CSCC[N@H+]1CC[C@@H]1CCCN1C ZINC000179249613 346978365 /nfs/dbraw/zinc/97/83/65/346978365.db2.gz URJKUOIPASQPNQ-RYUDHWBXSA-N 1 3 228.405 1.908 20 0 BDADHO CN(CCC[NH+](C)C)CCC1CCOCC1 ZINC000336686392 537824215 /nfs/dbraw/zinc/82/42/15/537824215.db2.gz WGBCBRJMXWXZFR-UHFFFAOYSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000392765934 349876214 /nfs/dbraw/zinc/87/62/14/349876214.db2.gz SUNFLAWLANHYHK-PWSUYJOCSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@@H]1C[C@@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000392765934 349876217 /nfs/dbraw/zinc/87/62/17/349876217.db2.gz SUNFLAWLANHYHK-PWSUYJOCSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@@H](CN1CCCCC1)NC(=O)CCCC[NH3+] ZINC000070201708 343948981 /nfs/dbraw/zinc/94/89/81/343948981.db2.gz RIHMHKSDBVTJRW-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C([NH2+][C@]12CCC[C@@H]1CNC2)[C@H]1CCSC1 ZINC000634733555 344113796 /nfs/dbraw/zinc/11/37/96/344113796.db2.gz IGSXZBCIRXOQHJ-UTUOFQBUSA-N 1 3 226.389 1.471 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000634734160 344114706 /nfs/dbraw/zinc/11/47/06/344114706.db2.gz YJXMZVOKGVEAHX-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000622045220 344230073 /nfs/dbraw/zinc/23/00/73/344230073.db2.gz HTEDGYFNRIRTRE-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)[C@@H](C)OC ZINC000131853690 344237376 /nfs/dbraw/zinc/23/73/76/344237376.db2.gz OFTNDFBXWVMHHY-VXGBXAGGSA-N 1 3 216.369 1.731 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H](C)OC ZINC000131853690 344237378 /nfs/dbraw/zinc/23/73/78/344237378.db2.gz OFTNDFBXWVMHHY-VXGBXAGGSA-N 1 3 216.369 1.731 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOc2ccccc2)C1 ZINC000093215575 344312788 /nfs/dbraw/zinc/31/27/88/344312788.db2.gz NGUVXYXLLWIWLO-STQMWFEESA-N 1 3 234.343 1.925 20 0 BDADHO COC[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000133310765 344317454 /nfs/dbraw/zinc/31/74/54/344317454.db2.gz UEANTOOXDPLGQA-QWRGUYRKSA-N 1 3 202.342 1.327 20 0 BDADHO CCOCCCN(C)CC[C@H]([NH3+])C(C)C ZINC000133310153 344317768 /nfs/dbraw/zinc/31/77/68/344317768.db2.gz GGXCYUGRCOAMET-LBPRGKRZSA-N 1 3 216.369 1.718 20 0 BDADHO CCOC[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000133009662 344310239 /nfs/dbraw/zinc/31/02/39/344310239.db2.gz BPCGSVXIIZWKGY-GHMZBOCLSA-N 1 3 202.342 1.341 20 0 BDADHO CC1(C)COCCN1CC1CC[NH2+]CC1 ZINC000042463146 344455803 /nfs/dbraw/zinc/45/58/03/344455803.db2.gz LMKOZUVTBMMRSU-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)CCO1 ZINC000388726925 347068017 /nfs/dbraw/zinc/06/80/17/347068017.db2.gz OHTGEHGETCIJNB-YIYPIFLZSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1cnccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000385027913 344799829 /nfs/dbraw/zinc/79/98/29/344799829.db2.gz JSUVIYMKACWBCN-ZNMIVQPWSA-N 1 3 245.370 1.949 20 0 BDADHO COCCNC1CC[NH+](CC2(C)CC2)CC1 ZINC000583444189 344978931 /nfs/dbraw/zinc/97/89/31/344978931.db2.gz QMNHVZPRPPSKIZ-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)C[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156059157 345122661 /nfs/dbraw/zinc/12/26/61/345122661.db2.gz QNPCSHOMKHONFJ-BFHYXJOUSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156059157 345122662 /nfs/dbraw/zinc/12/26/62/345122662.db2.gz QNPCSHOMKHONFJ-BFHYXJOUSA-N 1 3 240.391 1.610 20 0 BDADHO c1ccc2c(c1)CNCCN2CC12CC(C1)C[NH2+]2 ZINC000634994971 345183362 /nfs/dbraw/zinc/18/33/62/345183362.db2.gz RGQLTOURSGBOOR-UHFFFAOYSA-N 1 3 243.354 1.348 20 0 BDADHO C[C@@H]1CN(Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000634998060 345197319 /nfs/dbraw/zinc/19/73/19/345197319.db2.gz ADALPRJDAZRMAM-ZYHUDNBSSA-N 1 3 207.321 1.052 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](N[C@@H]2CCn3ccnc32)CC1 ZINC000635004978 345209080 /nfs/dbraw/zinc/20/90/80/345209080.db2.gz LBQGRLVEAQKSJL-IJLUTSLNSA-N 1 3 234.347 1.435 20 0 BDADHO COC[C@H](CCC[NH3+])N[C@@H]1C[C@H]1C(F)(F)F ZINC000635011790 345213349 /nfs/dbraw/zinc/21/33/49/345213349.db2.gz HTRCGBOIULGXHX-DJLDLDEBSA-N 1 3 240.269 1.281 20 0 BDADHO CCC(O)(CC)C[N@H+](C)CC[C@H]1CCCN1C ZINC000626111412 345273536 /nfs/dbraw/zinc/27/35/36/345273536.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CCC(O)(CC)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000626111412 345273537 /nfs/dbraw/zinc/27/35/37/345273537.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CCC(O)(CC)CN(C)CC[C@H]1CCC[N@@H+]1C ZINC000626111412 345273538 /nfs/dbraw/zinc/27/35/38/345273538.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CCC(O)(CC)CN(C)CC[C@H]1CCC[N@H+]1C ZINC000626111412 345273539 /nfs/dbraw/zinc/27/35/39/345273539.db2.gz NNARTVBXFZTAMJ-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO C[NH2+]C[C@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000053033563 345338499 /nfs/dbraw/zinc/33/84/99/345338499.db2.gz XJBOOIHAQVDJFM-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H]1C[C@H](NC2C[NH2+]C2)CN1Cc1ccccc1 ZINC000307707843 345926351 /nfs/dbraw/zinc/92/63/51/345926351.db2.gz ZVLDAQXNAAUMPE-JSGCOSHPSA-N 1 3 245.370 1.211 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[NH2+]C2)CN1Cc1ccccc1 ZINC000307707845 345926812 /nfs/dbraw/zinc/92/68/12/345926812.db2.gz ZVLDAQXNAAUMPE-TZMCWYRMSA-N 1 3 245.370 1.211 20 0 BDADHO C[C@H](N)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000037901337 346255097 /nfs/dbraw/zinc/25/50/97/346255097.db2.gz QVDOGJPTCIERHN-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](N)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901337 346255099 /nfs/dbraw/zinc/25/50/99/346255099.db2.gz QVDOGJPTCIERHN-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000300365527 346432588 /nfs/dbraw/zinc/43/25/88/346432588.db2.gz RUQAQXVEMZLEPB-WHOHXGKFSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]1CCC[N@H+](CCc2cncn2C)[C@H]1CN ZINC000641797017 362741653 /nfs/dbraw/zinc/74/16/53/362741653.db2.gz PRTKKHPKGJFMNX-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCc2cncn2C)[C@H]1CN ZINC000641797017 362741654 /nfs/dbraw/zinc/74/16/54/362741654.db2.gz PRTKKHPKGJFMNX-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO Cn1cncc1CCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000641801258 362754792 /nfs/dbraw/zinc/75/47/92/362754792.db2.gz OPFXZRZORBWOAM-RYUDHWBXSA-N 1 3 236.363 1.068 20 0 BDADHO Cn1cncc1CCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000641801258 362754798 /nfs/dbraw/zinc/75/47/98/362754798.db2.gz OPFXZRZORBWOAM-RYUDHWBXSA-N 1 3 236.363 1.068 20 0 BDADHO Cn1cncc1CCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000641801256 362755205 /nfs/dbraw/zinc/75/52/05/362755205.db2.gz OPFXZRZORBWOAM-NEPJUHHUSA-N 1 3 236.363 1.068 20 0 BDADHO Cn1cncc1CCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641801256 362755209 /nfs/dbraw/zinc/75/52/09/362755209.db2.gz OPFXZRZORBWOAM-NEPJUHHUSA-N 1 3 236.363 1.068 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000069908561 349967908 /nfs/dbraw/zinc/96/79/08/349967908.db2.gz IQBNLJRJNPAIIW-GRYCIOLGSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)C[C@@H](C)S1 ZINC000069908564 349968071 /nfs/dbraw/zinc/96/80/71/349968071.db2.gz IQBNLJRJNPAIIW-IJLUTSLNSA-N 1 3 228.405 1.812 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000300384616 346575974 /nfs/dbraw/zinc/57/59/74/346575974.db2.gz JFVIRNZTIXDQLG-XQHKEYJVSA-N 1 3 224.348 1.413 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@H]2CCCO2)CC1 ZINC000019963412 187370931 /nfs/dbraw/zinc/37/09/31/187370931.db2.gz YVMJJSXZMOPFPI-CYBMUJFWSA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@H](C)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622004611 370655945 /nfs/dbraw/zinc/65/59/45/370655945.db2.gz RERXJAPZHUGGHO-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO N[C@H](CC(F)F)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000582061730 347155916 /nfs/dbraw/zinc/15/59/16/347155916.db2.gz QKODYCDFYXSITD-SECBINFHSA-N 1 3 243.257 1.066 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCc2ccccc2CC1 ZINC000582067857 347161675 /nfs/dbraw/zinc/16/16/75/347161675.db2.gz MUHOCHLCITVGPG-HNNXBMFYSA-N 1 3 248.370 1.058 20 0 BDADHO CNC[C@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC000582067857 347161678 /nfs/dbraw/zinc/16/16/78/347161678.db2.gz MUHOCHLCITVGPG-HNNXBMFYSA-N 1 3 248.370 1.058 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1C[C@H]1CCCCO1 ZINC000250806198 362822421 /nfs/dbraw/zinc/82/24/21/362822421.db2.gz CODWDSUDFZCFFS-CHWSQXEVSA-N 1 3 226.364 1.759 20 0 BDADHO Cc1ccsc1C[NH2+]CC1(N)CCOCC1 ZINC000149820267 347524957 /nfs/dbraw/zinc/52/49/57/347524957.db2.gz BDVRRQDJFKOIAY-UHFFFAOYSA-N 1 3 240.372 1.654 20 0 BDADHO Cc1ccccc1C[N@@H+]1CCCO[C@H](CN)C1 ZINC000313385183 179274861 /nfs/dbraw/zinc/27/48/61/179274861.db2.gz KISOJXTZYHJNFR-CQSZACIVSA-N 1 3 234.343 1.545 20 0 BDADHO Cc1ccccc1C[N@H+]1CCCO[C@H](CN)C1 ZINC000313385183 179274863 /nfs/dbraw/zinc/27/48/63/179274863.db2.gz KISOJXTZYHJNFR-CQSZACIVSA-N 1 3 234.343 1.545 20 0 BDADHO CSCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000591567866 347670799 /nfs/dbraw/zinc/67/07/99/347670799.db2.gz YZCULIPWJOMPRJ-SECBINFHSA-N 1 3 239.388 1.862 20 0 BDADHO CCCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301998 187385657 /nfs/dbraw/zinc/38/56/57/187385657.db2.gz XGVPZUJKJLHMQC-BFHYXJOUSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000124598949 187393986 /nfs/dbraw/zinc/39/39/86/187393986.db2.gz YKTJECAPHREVRT-MELADBBJSA-N 1 3 234.343 1.738 20 0 BDADHO CCOC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595908454 348398181 /nfs/dbraw/zinc/39/81/81/348398181.db2.gz IKCSJQNCIOPKFH-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829943 362931777 /nfs/dbraw/zinc/93/17/77/362931777.db2.gz NJKWUPZMLQTWIG-LPWJVIDDSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829943 362931778 /nfs/dbraw/zinc/93/17/78/362931778.db2.gz NJKWUPZMLQTWIG-LPWJVIDDSA-N 1 3 226.364 1.756 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])C2CC2)C1(C)C ZINC000399324355 323203852 /nfs/dbraw/zinc/20/38/52/323203852.db2.gz KGCOAZJIAFEUGD-IJLUTSLNSA-N 1 3 226.364 1.517 20 0 BDADHO CC[NH+]1CCC(CNCc2cncnc2)CC1 ZINC000054768157 349079391 /nfs/dbraw/zinc/07/93/91/349079391.db2.gz JFZQEPQQHVVZHV-UHFFFAOYSA-N 1 3 234.347 1.298 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000309043894 323205434 /nfs/dbraw/zinc/20/54/34/323205434.db2.gz NBYMTQJZXNGMJN-NSHDSACASA-N 1 3 214.328 1.810 20 0 BDADHO COC(=O)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000599265620 349135410 /nfs/dbraw/zinc/13/54/10/349135410.db2.gz HAKXCXPUFNEIGR-UHFFFAOYSA-N 1 3 242.363 1.356 20 0 BDADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046488 538032886 /nfs/dbraw/zinc/03/28/86/538032886.db2.gz MXMPHEBCPCSQRV-SRVKXCTJSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046488 538032889 /nfs/dbraw/zinc/03/28/89/538032889.db2.gz MXMPHEBCPCSQRV-SRVKXCTJSA-N 1 3 226.364 1.362 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250225095 349168538 /nfs/dbraw/zinc/16/85/38/349168538.db2.gz FIERLNXUEIDLDO-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530214974 323216764 /nfs/dbraw/zinc/21/67/64/323216764.db2.gz ZNTWYSUYSHDCSF-HZSPNIEDSA-N 1 3 240.391 1.910 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCCCCC1 ZINC000309049375 349406247 /nfs/dbraw/zinc/40/62/47/349406247.db2.gz OPGWMOJSCANITA-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCCCCC1 ZINC000309049375 349406251 /nfs/dbraw/zinc/40/62/51/349406251.db2.gz OPGWMOJSCANITA-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CC(C)(N)C[NH+]1CCc2ccccc2CC1 ZINC000070620796 350032071 /nfs/dbraw/zinc/03/20/71/350032071.db2.gz APGFBMKKXPBLSV-UHFFFAOYSA-N 1 3 218.344 1.825 20 0 BDADHO [NH3+]CCC1CCN(CCC(F)(F)F)CC1 ZINC000070913994 350073809 /nfs/dbraw/zinc/07/38/09/350073809.db2.gz QKBWZQLDTIDMPP-UHFFFAOYSA-N 1 3 224.270 2.000 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000131403757 191011593 /nfs/dbraw/zinc/01/15/93/191011593.db2.gz FOSBCYOIAIXDRD-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccn1 ZINC000623529981 362949668 /nfs/dbraw/zinc/94/96/68/362949668.db2.gz IAZNLORDCFOQNJ-LLVKDONJSA-N 1 3 221.348 1.677 20 0 BDADHO CC[C@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000219374848 350123963 /nfs/dbraw/zinc/12/39/63/350123963.db2.gz DTQVZKCLGPXXKM-OASPWFOLSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN(C)C)CN1C1CC1 ZINC000132005216 191022173 /nfs/dbraw/zinc/02/21/73/191022173.db2.gz JKVYEHQRRVTDML-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO Cc1ncsc1CN(C)CC1CC[NH2+]CC1 ZINC000082633142 180314058 /nfs/dbraw/zinc/31/40/58/180314058.db2.gz NXXHNRUZWOJDPA-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO FCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128109322 490572103 /nfs/dbraw/zinc/57/21/03/490572103.db2.gz SICZQRYUZCWIGT-GHMZBOCLSA-N 1 3 200.301 1.562 20 0 BDADHO FCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128109322 490572107 /nfs/dbraw/zinc/57/21/07/490572107.db2.gz SICZQRYUZCWIGT-GHMZBOCLSA-N 1 3 200.301 1.562 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCCN[C@H]1C ZINC000396623817 323394084 /nfs/dbraw/zinc/39/40/84/323394084.db2.gz VTPQKXJLKTUOBF-MROQNXINSA-N 1 3 225.380 1.057 20 0 BDADHO CC[C@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000563270979 350746983 /nfs/dbraw/zinc/74/69/83/350746983.db2.gz ICHKUDKEISINAV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000563270979 350746989 /nfs/dbraw/zinc/74/69/89/350746989.db2.gz ICHKUDKEISINAV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000563270979 350746993 /nfs/dbraw/zinc/74/69/93/350746993.db2.gz ICHKUDKEISINAV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000563270980 350747062 /nfs/dbraw/zinc/74/70/62/350747062.db2.gz ICHKUDKEISINAV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000563270980 350747066 /nfs/dbraw/zinc/74/70/66/350747066.db2.gz ICHKUDKEISINAV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000563270980 350747069 /nfs/dbraw/zinc/74/70/69/350747069.db2.gz ICHKUDKEISINAV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000637841545 351697688 /nfs/dbraw/zinc/69/76/88/351697688.db2.gz SUPVGYZRNRXXBJ-LLVKDONJSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000577722106 366043884 /nfs/dbraw/zinc/04/38/84/366043884.db2.gz GUVIKIVAGXVGSD-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@H](O)CNC[C@H](C)C[NH+]1CCCCC1 ZINC000577722106 366043885 /nfs/dbraw/zinc/04/38/85/366043885.db2.gz GUVIKIVAGXVGSD-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000637827739 351670793 /nfs/dbraw/zinc/67/07/93/351670793.db2.gz BLUYKZIUXUIITB-GFCCVEGCSA-N 1 3 243.395 1.254 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000637852231 351711409 /nfs/dbraw/zinc/71/14/09/351711409.db2.gz VCRNKUYXUYXGGQ-WCQYABFASA-N 1 3 243.395 1.240 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768956 366056101 /nfs/dbraw/zinc/05/61/01/366056101.db2.gz YIHUKHSDVVNEDN-MMWGEVLESA-N 1 3 248.317 1.395 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000177837648 366067394 /nfs/dbraw/zinc/06/73/94/366067394.db2.gz HQDFXUUXCBIYGB-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000177837648 366067400 /nfs/dbraw/zinc/06/74/00/366067400.db2.gz HQDFXUUXCBIYGB-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000638208377 352070625 /nfs/dbraw/zinc/07/06/25/352070625.db2.gz FAQAEQIBPVETCB-TUAOUCFPSA-N 1 3 241.379 1.007 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638173844 352038321 /nfs/dbraw/zinc/03/83/21/352038321.db2.gz DSJBGRUGBHDXHX-VIFPVBQESA-N 1 3 221.304 1.082 20 0 BDADHO CO[C@H](CNCCC[NH+](C)C)CC(C)C ZINC000638289110 352124548 /nfs/dbraw/zinc/12/45/48/352124548.db2.gz DBYKTJNNSWWWRT-LBPRGKRZSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638368351 352179473 /nfs/dbraw/zinc/17/94/73/352179473.db2.gz JKHZMEBOGVEXQR-MNOVXSKESA-N 1 3 243.395 1.206 20 0 BDADHO CCN[C@@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000638382911 352192711 /nfs/dbraw/zinc/19/27/11/352192711.db2.gz YARKDPUVQTVAQJ-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO CCN[C@@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000638382911 352192713 /nfs/dbraw/zinc/19/27/13/352192713.db2.gz YARKDPUVQTVAQJ-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000638409278 352218844 /nfs/dbraw/zinc/21/88/44/352218844.db2.gz OHSXSDFNPPWNSS-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCC2(O)CCC2)C1 ZINC000411116128 191159681 /nfs/dbraw/zinc/15/96/81/191159681.db2.gz NRAWTRDMZGIOMJ-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CN(CCC1(O)CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000411116607 191161947 /nfs/dbraw/zinc/16/19/47/191161947.db2.gz ZOPLXYCMGXUZFT-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CN(CCC1(O)CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000411116607 191161948 /nfs/dbraw/zinc/16/19/48/191161948.db2.gz ZOPLXYCMGXUZFT-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CN(CCC1(O)CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000411116608 191162333 /nfs/dbraw/zinc/16/23/33/191162333.db2.gz ZOPLXYCMGXUZFT-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CN(CCC1(O)CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000411116608 191162336 /nfs/dbraw/zinc/16/23/36/191162336.db2.gz ZOPLXYCMGXUZFT-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@@H](CC)NC[C@]1(COC)CCC[NH2+]1 ZINC000414955858 352375267 /nfs/dbraw/zinc/37/52/67/352375267.db2.gz NUAYESLVZXZPHB-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@H](N)C1)C1CCOCC1 ZINC000300362908 352560243 /nfs/dbraw/zinc/56/02/43/352560243.db2.gz GMEWRQMIGWQJDX-DRZSPHRISA-N 1 3 226.364 1.661 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCO[C@@H]2C2CC2)C1 ZINC000300384612 352561298 /nfs/dbraw/zinc/56/12/98/352561298.db2.gz JFVIRNZTIXDQLG-MROQNXINSA-N 1 3 224.348 1.413 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043427977 352637590 /nfs/dbraw/zinc/63/75/90/352637590.db2.gz NSKJYGFQPCMRSK-QWHCGFSZSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@H]1CCOC1 ZINC000336746152 352736683 /nfs/dbraw/zinc/73/66/83/352736683.db2.gz RBZLZAAZDBDVEM-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCOC1 ZINC000361414746 188070155 /nfs/dbraw/zinc/07/01/55/188070155.db2.gz LPXFHXUHBTXAAZ-KBPBESRZSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCOC1 ZINC000361414746 188070157 /nfs/dbraw/zinc/07/01/57/188070157.db2.gz LPXFHXUHBTXAAZ-KBPBESRZSA-N 1 3 240.391 1.970 20 0 BDADHO C(C1CC1)N1C[C@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361303305 188070844 /nfs/dbraw/zinc/07/08/44/188070844.db2.gz HSSLLSURFGAWNQ-BFHYXJOUSA-N 1 3 220.360 1.813 20 0 BDADHO C(C1CC1)N1C[C@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361303305 188070846 /nfs/dbraw/zinc/07/08/46/188070846.db2.gz HSSLLSURFGAWNQ-BFHYXJOUSA-N 1 3 220.360 1.813 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000305679722 188078114 /nfs/dbraw/zinc/07/81/14/188078114.db2.gz NCZZCWDSTCEEKL-STQMWFEESA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000305679722 188078115 /nfs/dbraw/zinc/07/81/15/188078115.db2.gz NCZZCWDSTCEEKL-STQMWFEESA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305364952 188078190 /nfs/dbraw/zinc/07/81/90/188078190.db2.gz VIAFMHJURWQIBJ-MGPQQGTHSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305364952 188078192 /nfs/dbraw/zinc/07/81/92/188078192.db2.gz VIAFMHJURWQIBJ-MGPQQGTHSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H]1CN(C)CCN1CC[NH2+]C(C)(C)C ZINC000235581432 188082115 /nfs/dbraw/zinc/08/21/15/188082115.db2.gz MDDPSAHYGHVDCA-NSHDSACASA-N 1 3 213.369 1.010 20 0 BDADHO CN1CCC[C@@H](C[NH2+]Cc2ccncc2)C1 ZINC000044535257 188123614 /nfs/dbraw/zinc/12/36/14/188123614.db2.gz HMMTZGYPJXYZQA-ZDUSSCGKSA-N 1 3 219.332 1.513 20 0 BDADHO C=Cn1cc(CNCC2CC[NH+](C)CC2)cn1 ZINC000194352235 188175301 /nfs/dbraw/zinc/17/53/01/188175301.db2.gz YKEHIGDMPARVJF-UHFFFAOYSA-N 1 3 234.347 1.415 20 0 BDADHO C([NH2+]C1CCSCC1)[C@H]1CCCNC1 ZINC000220692291 188180326 /nfs/dbraw/zinc/18/03/26/188180326.db2.gz WSKZZDWTJGCAFX-JTQLQIEISA-N 1 3 214.378 1.471 20 0 BDADHO CC(C)[C@@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336715664 188182975 /nfs/dbraw/zinc/18/29/75/188182975.db2.gz SSJYVZJSKLBXBR-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000336715664 188182977 /nfs/dbraw/zinc/18/29/77/188182977.db2.gz SSJYVZJSKLBXBR-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000336715664 188182978 /nfs/dbraw/zinc/18/29/78/188182978.db2.gz SSJYVZJSKLBXBR-KGLIPLIRSA-N 1 3 240.391 1.421 20 0 BDADHO c1ccc2c(c1)CC(N[C@@H]1CCC[NH2+]CC1)C2 ZINC000232450626 188187273 /nfs/dbraw/zinc/18/72/73/188187273.db2.gz HXYIXCINYMYMQV-CQSZACIVSA-N 1 3 230.355 1.886 20 0 BDADHO c1ccc2c(c1)CC([NH2+][C@@H]1CCCNCC1)C2 ZINC000232450626 188187274 /nfs/dbraw/zinc/18/72/74/188187274.db2.gz HXYIXCINYMYMQV-CQSZACIVSA-N 1 3 230.355 1.886 20 0 BDADHO C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451113 188222531 /nfs/dbraw/zinc/22/25/31/188222531.db2.gz YIWPBXNRFNDZNT-RFQIPJPRSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000037786227 358478242 /nfs/dbraw/zinc/47/82/42/358478242.db2.gz ZOOUZYPDOTYFNO-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO COCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000308879077 538117521 /nfs/dbraw/zinc/11/75/21/538117521.db2.gz VCAQHYOAZOMNBS-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO C1CC1[C@H]1OCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000232450692 353726633 /nfs/dbraw/zinc/72/66/33/353726633.db2.gz YFZVWULYZVYASS-FRRDWIJNSA-N 1 3 224.348 1.286 20 0 BDADHO C(C1CC1)[NH+]1CCC(N[C@H]2CCCOC2)CC1 ZINC000548767619 324221468 /nfs/dbraw/zinc/22/14/68/324221468.db2.gz AEEFSFQDXGAVOM-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CN(CCC[C@@H]1CCO1)CCC[NH+]1CCCC1 ZINC000639133101 353842861 /nfs/dbraw/zinc/84/28/61/353842861.db2.gz YAUAKGJAKPLQQX-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177794 354251334 /nfs/dbraw/zinc/25/13/34/354251334.db2.gz GOSLOOVRSNSSMV-DGCLKSJQSA-N 1 3 249.358 1.559 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177794 354251335 /nfs/dbraw/zinc/25/13/35/354251335.db2.gz GOSLOOVRSNSSMV-DGCLKSJQSA-N 1 3 249.358 1.559 20 0 BDADHO CN1CCC([NH2+]Cc2ccc3cncn3c2)CC1 ZINC000334596066 354229407 /nfs/dbraw/zinc/22/94/07/354229407.db2.gz IVPWXODEJYQGOG-UHFFFAOYSA-N 1 3 244.342 1.518 20 0 BDADHO C[NH+]1CCC(NCc2ccc3cncn3c2)CC1 ZINC000334596066 354229408 /nfs/dbraw/zinc/22/94/08/354229408.db2.gz IVPWXODEJYQGOG-UHFFFAOYSA-N 1 3 244.342 1.518 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NC2CC(F)(F)C2)C1 ZINC000577963761 366148575 /nfs/dbraw/zinc/14/85/75/366148575.db2.gz MZEQJUZZKBTGNR-JGVFFNPUSA-N 1 3 204.264 1.644 20 0 BDADHO CC(C)COCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000232677503 363378278 /nfs/dbraw/zinc/37/82/78/363378278.db2.gz ULLLLBHXCBDGJH-NWDGAFQWSA-N 1 3 214.353 1.328 20 0 BDADHO c1ccc2c(c1)CCC([NH2+][C@@H]1CCNC1)CC2 ZINC000335177625 354947543 /nfs/dbraw/zinc/94/75/43/354947543.db2.gz JMWOTZMVWYJKKX-OAHLLOKOSA-N 1 3 230.355 1.886 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc(N)c2)C1 ZINC000335964112 134027751 /nfs/dbraw/zinc/02/77/51/134027751.db2.gz QUZSZADBNGOKGV-CMPLNLGQSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@H](CC(N)=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000346751673 355111198 /nfs/dbraw/zinc/11/11/98/355111198.db2.gz DBJYRWHUPMYSPO-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC(N)=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000346751673 355111200 /nfs/dbraw/zinc/11/12/00/355111200.db2.gz DBJYRWHUPMYSPO-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC(N)=O)[NH2+]CCCN1CCCC[C@H]1C ZINC000346751673 355111206 /nfs/dbraw/zinc/11/12/06/355111206.db2.gz DBJYRWHUPMYSPO-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346847442 355136918 /nfs/dbraw/zinc/13/69/18/355136918.db2.gz MMYREKXQFBMBMX-YUTCNCBUSA-N 1 3 248.374 1.586 20 0 BDADHO COC(=O)C[C@@H]1CCCN1C[C@H]1CCC[NH2+]C1 ZINC000346997566 355195429 /nfs/dbraw/zinc/19/54/29/355195429.db2.gz WZDZPTOSTUOXHF-RYUDHWBXSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346997566 355195433 /nfs/dbraw/zinc/19/54/33/355195433.db2.gz WZDZPTOSTUOXHF-RYUDHWBXSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000346997566 355195436 /nfs/dbraw/zinc/19/54/36/355195436.db2.gz WZDZPTOSTUOXHF-RYUDHWBXSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@@H]1CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000346997563 355195667 /nfs/dbraw/zinc/19/56/67/355195667.db2.gz WZDZPTOSTUOXHF-NEPJUHHUSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346997563 355195671 /nfs/dbraw/zinc/19/56/71/355195671.db2.gz WZDZPTOSTUOXHF-NEPJUHHUSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346997563 355195674 /nfs/dbraw/zinc/19/56/74/355195674.db2.gz WZDZPTOSTUOXHF-NEPJUHHUSA-N 1 3 240.347 1.014 20 0 BDADHO CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503685 358494327 /nfs/dbraw/zinc/49/43/27/358494327.db2.gz MJCVXOHSJFQLFZ-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](CN(C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000412979336 191347957 /nfs/dbraw/zinc/34/79/57/191347957.db2.gz TYBJFWRAPFJTKG-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](CN(C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000412979336 191347960 /nfs/dbraw/zinc/34/79/60/191347960.db2.gz TYBJFWRAPFJTKG-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO C[C@]1(N)CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000405792182 355296174 /nfs/dbraw/zinc/29/61/74/355296174.db2.gz LKOVFRJFBXNTOY-UWVGGRQHSA-N 1 3 200.351 1.305 20 0 BDADHO C[C@]1(N)CC[N@H+]([C@H]2CCCSC2)C1 ZINC000405792182 355296177 /nfs/dbraw/zinc/29/61/77/355296177.db2.gz LKOVFRJFBXNTOY-UWVGGRQHSA-N 1 3 200.351 1.305 20 0 BDADHO C[C@]1(N)CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000405792184 355296507 /nfs/dbraw/zinc/29/65/07/355296507.db2.gz LKOVFRJFBXNTOY-ZJUUUORDSA-N 1 3 200.351 1.305 20 0 BDADHO C[C@]1(N)CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000405792184 355296508 /nfs/dbraw/zinc/29/65/08/355296508.db2.gz LKOVFRJFBXNTOY-ZJUUUORDSA-N 1 3 200.351 1.305 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2ccns2)C1 ZINC000639257993 355303688 /nfs/dbraw/zinc/30/36/88/355303688.db2.gz WBZKGLUKFUOCPY-LLVKDONJSA-N 1 3 239.388 1.965 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2ccns2)C1 ZINC000639257993 355303690 /nfs/dbraw/zinc/30/36/90/355303690.db2.gz WBZKGLUKFUOCPY-LLVKDONJSA-N 1 3 239.388 1.965 20 0 BDADHO CO[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000191202080 355345738 /nfs/dbraw/zinc/34/57/38/355345738.db2.gz IRLYORJWSNWTBA-YEJSDXFRSA-N 1 3 212.337 1.236 20 0 BDADHO CO[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000191202080 355345741 /nfs/dbraw/zinc/34/57/41/355345741.db2.gz IRLYORJWSNWTBA-YEJSDXFRSA-N 1 3 212.337 1.236 20 0 BDADHO c1c[nH]c(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000335787319 355437985 /nfs/dbraw/zinc/43/79/85/355437985.db2.gz HQDPEVVTLUXONZ-LBPRGKRZSA-N 1 3 248.374 1.589 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530218217 355900027 /nfs/dbraw/zinc/90/00/27/355900027.db2.gz VUUZNUJTXJUGLP-CYZMBNFOSA-N 1 3 224.348 1.295 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417809253 191932317 /nfs/dbraw/zinc/93/23/17/191932317.db2.gz GRNSCGATIXNZAH-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOCC3CC3)C[C@@H]12 ZINC000351492431 356001262 /nfs/dbraw/zinc/00/12/62/356001262.db2.gz KWFQWFHURRJLNI-JHJVBQTASA-N 1 3 224.348 1.082 20 0 BDADHO CC[C@@H](N[C@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[NH2+]1 ZINC000333227019 356270525 /nfs/dbraw/zinc/27/05/25/356270525.db2.gz BCJRAEXKJVHDNG-TUAOUCFPSA-N 1 3 248.374 1.387 20 0 BDADHO CC[C@@H](N[C@H]1CCc2[nH]cnc2C1)[C@@H]1CCC[NH2+]1 ZINC000333227019 356270529 /nfs/dbraw/zinc/27/05/29/356270529.db2.gz BCJRAEXKJVHDNG-TUAOUCFPSA-N 1 3 248.374 1.387 20 0 BDADHO CC(C)COCCN[C@@](C)(C[NH3+])C1CC1 ZINC000420289370 192200978 /nfs/dbraw/zinc/20/09/78/192200978.db2.gz KFQMTVHNQDJRAS-LBPRGKRZSA-N 1 3 214.353 1.376 20 0 BDADHO CN(Cc1cc[nH]c(=O)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000639494008 356317779 /nfs/dbraw/zinc/31/77/79/356317779.db2.gz HNEYDCUGUNDVFZ-ZDUSSCGKSA-N 1 3 249.358 1.561 20 0 BDADHO CN(Cc1cc[nH]c(=O)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000639494008 356317780 /nfs/dbraw/zinc/31/77/80/356317780.db2.gz HNEYDCUGUNDVFZ-ZDUSSCGKSA-N 1 3 249.358 1.561 20 0 BDADHO C[C@@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509745 356339267 /nfs/dbraw/zinc/33/92/67/356339267.db2.gz LBXPBQYWMHPDNG-YPMHNXCESA-N 1 3 249.358 1.702 20 0 BDADHO C[C@@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509745 356339270 /nfs/dbraw/zinc/33/92/70/356339270.db2.gz LBXPBQYWMHPDNG-YPMHNXCESA-N 1 3 249.358 1.702 20 0 BDADHO C[N@H+](CCCC1CCCC1)C[C@H](O)CN ZINC000420349888 192217794 /nfs/dbraw/zinc/21/77/94/192217794.db2.gz FASDOHMFSVCHHX-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO C[N@@H+](CCCC1CCCC1)C[C@H](O)CN ZINC000420349888 192217796 /nfs/dbraw/zinc/21/77/96/192217796.db2.gz FASDOHMFSVCHHX-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO CN(CCCC1CCCC1)C[C@H](O)C[NH3+] ZINC000420349888 192217797 /nfs/dbraw/zinc/21/77/97/192217797.db2.gz FASDOHMFSVCHHX-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCCN)C1 ZINC000420303959 192208977 /nfs/dbraw/zinc/20/89/77/192208977.db2.gz OBIHMFYHNOWPRJ-WCQYABFASA-N 1 3 228.380 1.502 20 0 BDADHO CO[C@@]1(C)C[C@H]([N@H+](C)CCCN)C1(C)C ZINC000420308444 192210844 /nfs/dbraw/zinc/21/08/44/192210844.db2.gz SGDZPQCRRXVZJW-JQWIXIFHSA-N 1 3 214.353 1.471 20 0 BDADHO CO[C@@]1(C)C[C@H]([N@@H+](C)CCCN)C1(C)C ZINC000420308444 192210846 /nfs/dbraw/zinc/21/08/46/192210846.db2.gz SGDZPQCRRXVZJW-JQWIXIFHSA-N 1 3 214.353 1.471 20 0 BDADHO CCN(CCCC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420309373 192210852 /nfs/dbraw/zinc/21/08/52/192210852.db2.gz LFUXORPPIZPVIH-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO CC[N@H+](CCCC(=O)OC)[C@@H]1CCCNCC1 ZINC000420309373 192210853 /nfs/dbraw/zinc/21/08/53/192210853.db2.gz LFUXORPPIZPVIH-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO CC[N@@H+](CCCC(=O)OC)[C@@H]1CCCNCC1 ZINC000420309373 192210854 /nfs/dbraw/zinc/21/08/54/192210854.db2.gz LFUXORPPIZPVIH-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO CCOC(=O)CCN1CCC(CC[NH2+]C)CC1 ZINC000420310109 192211651 /nfs/dbraw/zinc/21/16/51/192211651.db2.gz PMHMJMPYTNQRMN-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO Cc1cc(C)c2c(c1)CN(CCOCC[NH3+])CC2 ZINC000420367516 192226422 /nfs/dbraw/zinc/22/64/22/192226422.db2.gz GWTWMKAZFXUCHU-UHFFFAOYSA-N 1 3 248.370 1.637 20 0 BDADHO CCC[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420361350 192221482 /nfs/dbraw/zinc/22/14/82/192221482.db2.gz NIRMYEGPWGZLFX-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO COCCOCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420382227 192234683 /nfs/dbraw/zinc/23/46/83/192234683.db2.gz ZOPAPFQWAQBEBF-CYBMUJFWSA-N 1 3 244.379 1.147 20 0 BDADHO CCOCCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420384461 192234955 /nfs/dbraw/zinc/23/49/55/192234955.db2.gz DVNNHRKKXKFPDO-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH2+]CCCN1CCNC[C@H]1c1ccccc1 ZINC000420414591 192241138 /nfs/dbraw/zinc/24/11/38/192241138.db2.gz UMFGOBSHFCADIE-AWEZNQCLSA-N 1 3 233.359 1.242 20 0 BDADHO CCn1nccc1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000420373673 192231142 /nfs/dbraw/zinc/23/11/42/192231142.db2.gz MVFIFIDDAJNWEJ-LBPRGKRZSA-N 1 3 236.363 1.334 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOCC1CC1 ZINC000261567542 535308891 /nfs/dbraw/zinc/30/88/91/535308891.db2.gz DZEVXZATWWZFSN-GFCCVEGCSA-N 1 3 214.353 1.376 20 0 BDADHO CC(C)[C@H](CO)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423110582 192571851 /nfs/dbraw/zinc/57/18/51/192571851.db2.gz PETATCLGQFPCTO-ACJTYDJDSA-N 1 3 226.364 1.124 20 0 BDADHO C[NH+](C)C[C@@]1(O)CCCN(CCCCCF)C1 ZINC000639769385 356708693 /nfs/dbraw/zinc/70/86/93/356708693.db2.gz YEZJJRWSHVZPKB-ZDUSSCGKSA-N 1 3 246.370 1.515 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536902 491104810 /nfs/dbraw/zinc/10/48/10/491104810.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536902 491104812 /nfs/dbraw/zinc/10/48/12/491104812.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536902 491104814 /nfs/dbraw/zinc/10/48/14/491104814.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536902 491104816 /nfs/dbraw/zinc/10/48/16/491104816.db2.gz KNKPKLVGKRDNCM-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623383934 356909158 /nfs/dbraw/zinc/90/91/58/356909158.db2.gz HYLHPHOZXPEHSN-QWHCGFSZSA-N 1 3 241.423 1.789 20 0 BDADHO C[NH2+]CCCN[C@H]1CCc2ccccc2OC1 ZINC000423198951 192623026 /nfs/dbraw/zinc/62/30/26/192623026.db2.gz ITFWDZQJPNRVAI-ZDUSSCGKSA-N 1 3 234.343 1.579 20 0 BDADHO Cc1ncsc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000391126499 357122662 /nfs/dbraw/zinc/12/26/62/357122662.db2.gz DPIOXXBEUDTZFV-QWRGUYRKSA-N 1 3 239.388 1.854 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000393605134 357289289 /nfs/dbraw/zinc/28/92/89/357289289.db2.gz XSYKRXDAYZRUBC-WDEREUQCSA-N 1 3 228.380 1.643 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000393605134 357289292 /nfs/dbraw/zinc/28/92/92/357289292.db2.gz XSYKRXDAYZRUBC-WDEREUQCSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1ncc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)n1C ZINC000582916589 357436674 /nfs/dbraw/zinc/43/66/74/357436674.db2.gz WBNVXFBRRMHIEC-ZYHUDNBSSA-N 1 3 236.363 1.301 20 0 BDADHO Cc1nccnc1CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000583078292 357473763 /nfs/dbraw/zinc/47/37/63/357473763.db2.gz LGZJFPHNNBXXMF-JSGCOSHPSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1nccnc1CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000583078292 357473764 /nfs/dbraw/zinc/47/37/64/357473764.db2.gz LGZJFPHNNBXXMF-JSGCOSHPSA-N 1 3 248.374 1.435 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000583093892 357479059 /nfs/dbraw/zinc/47/90/59/357479059.db2.gz DUCQKACPWOPKKB-CYBMUJFWSA-N 1 3 242.407 1.665 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCSCCCO ZINC000230785094 357564774 /nfs/dbraw/zinc/56/47/74/357564774.db2.gz HTACQTAEHOLOJE-NWDGAFQWSA-N 1 3 246.420 1.209 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1cccs1 ZINC000231786949 357628697 /nfs/dbraw/zinc/62/86/97/357628697.db2.gz NPQOONQYKHMVRF-LLVKDONJSA-N 1 3 242.388 1.977 20 0 BDADHO CCN(CC)CC(=O)NC[C@H](C)[NH+](CC)CC ZINC000063737417 357715977 /nfs/dbraw/zinc/71/59/77/357715977.db2.gz BEHZSWHLLWMVJX-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000397765915 357682256 /nfs/dbraw/zinc/68/22/56/357682256.db2.gz YWTCXTCBDUEEAI-QWRGUYRKSA-N 1 3 212.337 1.151 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCC2(O)CCC2)C1 ZINC000397765915 357682260 /nfs/dbraw/zinc/68/22/60/357682260.db2.gz YWTCXTCBDUEEAI-QWRGUYRKSA-N 1 3 212.337 1.151 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000234622587 357820460 /nfs/dbraw/zinc/82/04/60/357820460.db2.gz IQSCVUCLEXGPPR-QWHCGFSZSA-N 1 3 228.380 1.910 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000234622378 357820824 /nfs/dbraw/zinc/82/08/24/357820824.db2.gz IQSCVUCLEXGPPR-CHWSQXEVSA-N 1 3 228.380 1.910 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000398272079 357882092 /nfs/dbraw/zinc/88/20/92/357882092.db2.gz VJRVCRWPRTYCBB-DTWKUNHWSA-N 1 3 222.279 1.475 20 0 BDADHO CC(C)[C@@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421194 358165263 /nfs/dbraw/zinc/16/52/63/358165263.db2.gz BEEAECBAEGOJHZ-RYUDHWBXSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[C@@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421194 358165267 /nfs/dbraw/zinc/16/52/67/358165267.db2.gz BEEAECBAEGOJHZ-RYUDHWBXSA-N 1 3 228.380 1.466 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222959509 358216519 /nfs/dbraw/zinc/21/65/19/358216519.db2.gz QFJPMOUPCFTOPQ-MGPQQGTHSA-N 1 3 239.407 1.720 20 0 BDADHO COC[C@@H](C)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000225714587 358331793 /nfs/dbraw/zinc/33/17/93/358331793.db2.gz AKTLJMIKFZKEHB-NWDGAFQWSA-N 1 3 216.369 1.574 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000228334610 358373833 /nfs/dbraw/zinc/37/38/33/358373833.db2.gz PQNTXFRNHFLKMN-WDEREUQCSA-N 1 3 241.379 1.151 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000228334610 358373838 /nfs/dbraw/zinc/37/38/38/358373838.db2.gz PQNTXFRNHFLKMN-WDEREUQCSA-N 1 3 241.379 1.151 20 0 BDADHO C[C@H](CCCO)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000227538423 358359502 /nfs/dbraw/zinc/35/95/02/358359502.db2.gz WEALGBUWPDUOEY-MXWKQRLJSA-N 1 3 200.326 1.007 20 0 BDADHO CSCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000229208009 358363701 /nfs/dbraw/zinc/36/37/01/358363701.db2.gz DTOILFWZXJCSDX-WDEREUQCSA-N 1 3 216.394 1.989 20 0 BDADHO C[C@H]1CCC[C@H](C)C1[NH2+]CCOCCN(C)C ZINC000219322120 134281372 /nfs/dbraw/zinc/28/13/72/134281372.db2.gz YHWIVBMEJJKZJO-STQMWFEESA-N 1 3 242.407 1.979 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130214542 358615476 /nfs/dbraw/zinc/61/54/76/358615476.db2.gz VPEYVKXRBBRSTR-JHJVBQTASA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@@H]3CCCOC3)CC[N@H+]2C1 ZINC000130214542 358615477 /nfs/dbraw/zinc/61/54/77/358615477.db2.gz VPEYVKXRBBRSTR-JHJVBQTASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CCSC1 ZINC000300231325 358589584 /nfs/dbraw/zinc/58/95/84/358589584.db2.gz GQOMWEAJSGZPQZ-GMTAPVOTSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CCSC1 ZINC000300231325 358589586 /nfs/dbraw/zinc/58/95/86/358589586.db2.gz GQOMWEAJSGZPQZ-GMTAPVOTSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCSC1 ZINC000300231325 358589589 /nfs/dbraw/zinc/58/95/89/358589589.db2.gz GQOMWEAJSGZPQZ-GMTAPVOTSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H](CC[NH+](C)C)NC(=O)C1(N)CCCCC1 ZINC000049559724 358695382 /nfs/dbraw/zinc/69/53/82/358695382.db2.gz ATEIJWSGEGNBFZ-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000133765870 358766234 /nfs/dbraw/zinc/76/62/34/358766234.db2.gz PDOYSELHRFYACK-CYBMUJFWSA-N 1 3 228.380 1.466 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)C(C)C)CC1 ZINC000133714868 358766586 /nfs/dbraw/zinc/76/65/86/358766586.db2.gz IUBOSTPUGVJWPB-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)[C@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132169866 358709801 /nfs/dbraw/zinc/70/98/01/358709801.db2.gz DOTDWQFRHDVYEW-MJBXVCDLSA-N 1 3 234.343 1.738 20 0 BDADHO COC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000050068524 358713092 /nfs/dbraw/zinc/71/30/92/358713092.db2.gz JCEHCDLDUXEOAI-GFCCVEGCSA-N 1 3 242.363 1.356 20 0 BDADHO COC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000050068524 358713095 /nfs/dbraw/zinc/71/30/95/358713095.db2.gz JCEHCDLDUXEOAI-GFCCVEGCSA-N 1 3 242.363 1.356 20 0 BDADHO CCOCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247942595 359249643 /nfs/dbraw/zinc/24/96/43/359249643.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCOCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247942595 359249646 /nfs/dbraw/zinc/24/96/46/359249646.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247942595 359249647 /nfs/dbraw/zinc/24/96/47/359249647.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247942595 359249650 /nfs/dbraw/zinc/24/96/50/359249650.db2.gz DDQLUMBYAJTCLI-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000580434600 359545985 /nfs/dbraw/zinc/54/59/85/359545985.db2.gz BWSVEDVLSFJGMX-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H](C)O)C1 ZINC000580434600 359545989 /nfs/dbraw/zinc/54/59/89/359545989.db2.gz BWSVEDVLSFJGMX-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H](C)O)C1 ZINC000580434600 359545992 /nfs/dbraw/zinc/54/59/92/359545992.db2.gz BWSVEDVLSFJGMX-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)O)C1 ZINC000580434601 359546010 /nfs/dbraw/zinc/54/60/10/359546010.db2.gz BWSVEDVLSFJGMX-QJPTWQEYSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)O)C1 ZINC000580434601 359546014 /nfs/dbraw/zinc/54/60/14/359546014.db2.gz BWSVEDVLSFJGMX-QJPTWQEYSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)O)C1 ZINC000580434601 359546017 /nfs/dbraw/zinc/54/60/17/359546017.db2.gz BWSVEDVLSFJGMX-QJPTWQEYSA-N 1 3 214.353 1.077 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CCCc2ccncc2)C1 ZINC000580445852 359562653 /nfs/dbraw/zinc/56/26/53/359562653.db2.gz IWKUKRZZQHVVMF-AWEZNQCLSA-N 1 3 233.359 1.685 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000580465331 359570281 /nfs/dbraw/zinc/57/02/81/359570281.db2.gz FANCYJCFSJRYQW-RFGFWPKPSA-N 1 3 238.375 1.804 20 0 BDADHO COC[C@H](NCC(C)(C)C[NH+](C)C)C1CC1 ZINC000087477018 359914159 /nfs/dbraw/zinc/91/41/59/359914159.db2.gz ZWHCJNYIPHNBRW-LBPRGKRZSA-N 1 3 228.380 1.589 20 0 BDADHO OCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000087647862 359921971 /nfs/dbraw/zinc/92/19/71/359921971.db2.gz SDNGISNTJHIRKN-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO OCCC[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000087647862 359921977 /nfs/dbraw/zinc/92/19/77/359921977.db2.gz SDNGISNTJHIRKN-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C(C)C)C1CC1 ZINC000578838192 366651361 /nfs/dbraw/zinc/65/13/61/366651361.db2.gz UHLQIXBQZALHRE-LBPRGKRZSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C(C)C)C1CC1 ZINC000578838192 366651368 /nfs/dbraw/zinc/65/13/68/366651368.db2.gz UHLQIXBQZALHRE-LBPRGKRZSA-N 1 3 214.353 1.172 20 0 BDADHO CC[C@H](NCCC1(COC)CC1)[C@@H]1CCC[NH2+]1 ZINC000578867858 366657240 /nfs/dbraw/zinc/65/72/40/366657240.db2.gz GCDVSBXESUKFRU-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H]([NH2+]CCC1(COC)CC1)[C@@H]1CCCN1 ZINC000578867858 366657248 /nfs/dbraw/zinc/65/72/48/366657248.db2.gz GCDVSBXESUKFRU-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000089145874 359993210 /nfs/dbraw/zinc/99/32/10/359993210.db2.gz NMLNSYMOHIXTPH-SCRDCRAPSA-N 1 3 237.391 1.330 20 0 BDADHO CCCCCN(CCO)CC[C@H]1CCC[N@@H+]1C ZINC000089427955 360019630 /nfs/dbraw/zinc/01/96/30/360019630.db2.gz QJJAGRFXZOJCSL-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCCCCN(CCO)CC[C@H]1CCC[N@H+]1C ZINC000089427955 360019635 /nfs/dbraw/zinc/01/96/35/360019635.db2.gz QJJAGRFXZOJCSL-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO COC(=O)[C@H](C)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000089425420 360020007 /nfs/dbraw/zinc/02/00/07/360020007.db2.gz KEFYJNRRFMVCLE-NEPJUHHUSA-N 1 3 242.363 1.212 20 0 BDADHO COC(=O)[C@H](C)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000089425420 360020011 /nfs/dbraw/zinc/02/00/11/360020011.db2.gz KEFYJNRRFMVCLE-NEPJUHHUSA-N 1 3 242.363 1.212 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392071 360113947 /nfs/dbraw/zinc/11/39/47/360113947.db2.gz FIANRIORAXJUIG-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCCn1ccnc1 ZINC000093462944 360246088 /nfs/dbraw/zinc/24/60/88/360246088.db2.gz QUUWFZNILAUGIS-OLZOCXBDSA-N 1 3 236.363 1.393 20 0 BDADHO COc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422726949 200854950 /nfs/dbraw/zinc/85/49/50/200854950.db2.gz AXQIUFUKAHQJOX-GHMZBOCLSA-N 1 3 222.332 1.911 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511941 361105915 /nfs/dbraw/zinc/10/59/15/361105915.db2.gz CKTQNPSJXGNAHP-SOUVJXGZSA-N 1 3 246.354 1.597 20 0 BDADHO CCO[C@H](CN1CCC[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629515948 361110365 /nfs/dbraw/zinc/11/03/65/361110365.db2.gz WQKCURUHOVFGIP-IACUBPJLSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000629517339 361114200 /nfs/dbraw/zinc/11/42/00/361114200.db2.gz LVIWMYIIYNHARK-YNEHKIRRSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCNC12CCC2 ZINC000629517785 361114213 /nfs/dbraw/zinc/11/42/13/361114213.db2.gz YURMOBUHBFSWMD-VXGBXAGGSA-N 1 3 226.364 1.412 20 0 BDADHO CCO[C@H](CN1CCC(C)([NH3+])CC1)C1CC1 ZINC000629527588 361130572 /nfs/dbraw/zinc/13/05/72/361130572.db2.gz ZPPHAEAPFKEJPY-GFCCVEGCSA-N 1 3 226.364 1.615 20 0 BDADHO C[NH2+]CCOCCN[C@H]1CCCc2cccnc21 ZINC000629530538 361144724 /nfs/dbraw/zinc/14/47/24/361144724.db2.gz JKJKBRMWDYCTNZ-ZDUSSCGKSA-N 1 3 249.358 1.285 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@@](C)(CN)C1)C1CC1 ZINC000629530678 361145645 /nfs/dbraw/zinc/14/56/45/361145645.db2.gz NHXYJVDIIDJGRA-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@@](C)(CN)C1)C1CC1 ZINC000629530678 361145650 /nfs/dbraw/zinc/14/56/50/361145650.db2.gz NHXYJVDIIDJGRA-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO Nc1ncccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000629532350 361151884 /nfs/dbraw/zinc/15/18/84/361151884.db2.gz WKOHYUBWNLOKAV-UHFFFAOYSA-N 1 3 246.358 1.239 20 0 BDADHO CC(C)CC[C@H](CO)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000629524553 361124375 /nfs/dbraw/zinc/12/43/75/361124375.db2.gz SBRALMUVAWLBBX-GRYCIOLGSA-N 1 3 216.369 1.499 20 0 BDADHO CCSCCN1CCC[C@@H](C[NH3+])C1 ZINC000158567664 361204163 /nfs/dbraw/zinc/20/41/63/361204163.db2.gz HMOPAZVEBSLSED-JTQLQIEISA-N 1 3 202.367 1.410 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])N(CC)CC ZINC000578993302 366689242 /nfs/dbraw/zinc/68/92/42/366689242.db2.gz SJRCCECWIUGCET-IJLUTSLNSA-N 1 3 243.395 1.349 20 0 BDADHO CCO[C@H]1C[C@@H](NCC[C@H](C)[NH3+])C12CCC2 ZINC000622045345 370679615 /nfs/dbraw/zinc/67/96/15/370679615.db2.gz OCGYXMWBMMWAOU-TUAOUCFPSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H](C)CC1CCOCC1 ZINC000622045464 370680081 /nfs/dbraw/zinc/68/00/81/370680081.db2.gz WOTPKBBXWUIJOS-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO [NH3+]CCCN[C@H]1CCc2cc(F)ccc21 ZINC000162525328 361354063 /nfs/dbraw/zinc/35/40/63/361354063.db2.gz ZSPIDHUIFDBBNS-LBPRGKRZSA-N 1 3 208.280 1.751 20 0 BDADHO CCO[C@H](C[NH2+][C@@H]1CCNCC1(C)C)C1CC1 ZINC000629537697 361400628 /nfs/dbraw/zinc/40/06/28/361400628.db2.gz PVAUUQYKQKGCME-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@H](CN[C@@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537697 361400632 /nfs/dbraw/zinc/40/06/32/361400632.db2.gz PVAUUQYKQKGCME-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1cccc(O)c1 ZINC000629537964 361402624 /nfs/dbraw/zinc/40/26/24/361402624.db2.gz LKLGOGGXEHMJNL-LLVKDONJSA-N 1 3 238.331 1.408 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1ccccc1 ZINC000629540871 361415680 /nfs/dbraw/zinc/41/56/80/361415680.db2.gz PSMFVDMODRSMFV-GFCCVEGCSA-N 1 3 222.332 1.703 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1ccccc1 ZINC000629540872 361415237 /nfs/dbraw/zinc/41/52/37/361415237.db2.gz PSMFVDMODRSMFV-LBPRGKRZSA-N 1 3 222.332 1.703 20 0 BDADHO CCO[C@H](CN[C@@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534703 361408327 /nfs/dbraw/zinc/40/83/27/361408327.db2.gz AYTVTPFZCVZAMX-NEPJUHHUSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@H]1CCCCN1 ZINC000629545823 361426874 /nfs/dbraw/zinc/42/68/74/361426874.db2.gz CTINFGMDYXOXRH-ASEORRQLSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000629554618 361438088 /nfs/dbraw/zinc/43/80/88/361438088.db2.gz KVQOJACLCLJAAU-XWLWVQCSSA-N 1 3 200.326 1.127 20 0 BDADHO CC[C@H](NC[C@H]1C[C@@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000629553930 361440342 /nfs/dbraw/zinc/44/03/42/361440342.db2.gz DTLQLNYDLLROSL-RNJOBUHISA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)[C@@H]1CCCN1 ZINC000629553930 361440345 /nfs/dbraw/zinc/44/03/45/361440345.db2.gz DTLQLNYDLLROSL-RNJOBUHISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1cccc(F)c1 ZINC000629542437 361419276 /nfs/dbraw/zinc/41/92/76/361419276.db2.gz ZIVARGYCQOWRBC-NSHDSACASA-N 1 3 240.322 1.842 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1cccc(F)c1 ZINC000629565716 361459405 /nfs/dbraw/zinc/45/94/05/361459405.db2.gz GAWKMHUBKIYPSV-UHFFFAOYSA-N 1 3 240.322 1.494 20 0 BDADHO CC(C)[C@@H]1C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000629579790 361465462 /nfs/dbraw/zinc/46/54/62/361465462.db2.gz ICGQDUUSQZFOED-RWMBFGLXSA-N 1 3 226.364 1.077 20 0 BDADHO C[C@@H]1C[C@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593215 361484781 /nfs/dbraw/zinc/48/47/81/361484781.db2.gz ITGCTSFYSLNRGJ-XQHKEYJVSA-N 1 3 208.349 1.574 20 0 BDADHO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000629594413 361486179 /nfs/dbraw/zinc/48/61/79/361486179.db2.gz CDBFRZAUHCUEPM-WEHDMVHDSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C/C[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000629594413 361486182 /nfs/dbraw/zinc/48/61/82/361486182.db2.gz CDBFRZAUHCUEPM-WEHDMVHDSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C/C[C@@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000629594413 361486185 /nfs/dbraw/zinc/48/61/85/361486185.db2.gz CDBFRZAUHCUEPM-WEHDMVHDSA-N 1 3 240.391 1.635 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CC2=CCCOC2)C1 ZINC000629647020 361535235 /nfs/dbraw/zinc/53/52/35/361535235.db2.gz JHNJPXGLFFIOIC-ZYHUDNBSSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CC1=CCCOC1 ZINC000629646808 361535460 /nfs/dbraw/zinc/53/54/60/361535460.db2.gz FDQRENKHNGAKRU-PWSUYJOCSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1=CCCOC1 ZINC000629646808 361535468 /nfs/dbraw/zinc/53/54/68/361535468.db2.gz FDQRENKHNGAKRU-PWSUYJOCSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1=CCCOC1 ZINC000629646808 361535475 /nfs/dbraw/zinc/53/54/75/361535475.db2.gz FDQRENKHNGAKRU-PWSUYJOCSA-N 1 3 210.321 1.002 20 0 BDADHO COC1(CNCC2([NH3+])CCC2)CCCC1 ZINC000629647969 361539914 /nfs/dbraw/zinc/53/99/14/361539914.db2.gz MSYNRFOQMGKBKU-UHFFFAOYSA-N 1 3 212.337 1.417 20 0 BDADHO COC1(C[NH2+][C@H]2CCN[C@@H](C)C2)CCCC1 ZINC000629649509 361544328 /nfs/dbraw/zinc/54/43/28/361544328.db2.gz UHWIUDBPIWMJGD-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO COC1(CN[C@H]2CC[NH2+][C@@H](C)C2)CCCC1 ZINC000629649509 361544331 /nfs/dbraw/zinc/54/43/31/361544331.db2.gz UHWIUDBPIWMJGD-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO CC(C)[C@H]([NH3+])CCNCc1ccn(C)c1 ZINC000629650378 361548623 /nfs/dbraw/zinc/54/86/23/361548623.db2.gz SSHVBDRQLNIORI-GFCCVEGCSA-N 1 3 209.337 1.488 20 0 BDADHO C[C@]1(CN2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]C1 ZINC000629653017 361551144 /nfs/dbraw/zinc/55/11/44/361551144.db2.gz FDUPQLXEYHKMKW-AGIUHOORSA-N 1 3 240.416 1.956 20 0 BDADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651425 361555996 /nfs/dbraw/zinc/55/59/96/361555996.db2.gz FXCAHQFNJNHWNY-YPMHNXCESA-N 1 3 224.348 1.535 20 0 BDADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651425 361555998 /nfs/dbraw/zinc/55/59/98/361555998.db2.gz FXCAHQFNJNHWNY-YPMHNXCESA-N 1 3 224.348 1.535 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@@H](CCF)C2)CC[NH2+]1 ZINC000629666480 361587439 /nfs/dbraw/zinc/58/74/39/361587439.db2.gz REMFRRTWIXWUHB-AGIUHOORSA-N 1 3 244.354 1.435 20 0 BDADHO COC[C@H]1CCCCN1CC[C@H]1CCC[N@@H+]1C ZINC000448555566 201260643 /nfs/dbraw/zinc/26/06/43/201260643.db2.gz MQKNAONRSGPCRY-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO COC[C@H]1CCCCN1CC[C@H]1CCC[N@H+]1C ZINC000448555566 201260647 /nfs/dbraw/zinc/26/06/47/201260647.db2.gz MQKNAONRSGPCRY-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@H+](C[C@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000435388717 201268462 /nfs/dbraw/zinc/26/84/62/201268462.db2.gz GWEIRQQMOCSVOY-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000435388717 201268466 /nfs/dbraw/zinc/26/84/66/201268466.db2.gz GWEIRQQMOCSVOY-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CCN(CCn1cccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614923 201279749 /nfs/dbraw/zinc/27/97/49/201279749.db2.gz NTTHAMNYJJPMAI-CYBMUJFWSA-N 1 3 236.363 1.347 20 0 BDADHO C1=C(c2nc3c(s2)CNCC3)CC[NH2+]C1 ZINC000629723191 361662738 /nfs/dbraw/zinc/66/27/38/361662738.db2.gz IUDFGLUFRLSPMI-UHFFFAOYSA-N 1 3 221.329 1.166 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)[C@H](C)C1)C1CC1 ZINC000155820456 201354028 /nfs/dbraw/zinc/35/40/28/201354028.db2.gz YVOLLRASIUISTF-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](O)CC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000305156196 364618776 /nfs/dbraw/zinc/61/87/76/364618776.db2.gz VUBZZKQCSVKJLF-LBPRGKRZSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@H](O)CCNC1CC[NH+](C2CCCC2)CC1 ZINC000305156196 364618784 /nfs/dbraw/zinc/61/87/84/364618784.db2.gz VUBZZKQCSVKJLF-LBPRGKRZSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000573338664 364804978 /nfs/dbraw/zinc/80/49/78/364804978.db2.gz VDMVNQCAMIWVRZ-FDYHWXHSSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C1CC1 ZINC000573676686 364889158 /nfs/dbraw/zinc/88/91/58/364889158.db2.gz NNXOZPQBIICFFL-SECBINFHSA-N 1 3 249.362 1.160 20 0 BDADHO COC[C@H](N[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000168763151 365001103 /nfs/dbraw/zinc/00/11/03/365001103.db2.gz GGYCVSFIZWHHCJ-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCCNCC1)C(C)C ZINC000168763151 365001109 /nfs/dbraw/zinc/00/11/09/365001109.db2.gz GGYCVSFIZWHHCJ-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000574392831 365051265 /nfs/dbraw/zinc/05/12/65/365051265.db2.gz IGWNIZULSMMUDJ-BJDJZHNGSA-N 1 3 214.353 1.218 20 0 BDADHO C[C@H](O)[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000574392831 365051269 /nfs/dbraw/zinc/05/12/69/365051269.db2.gz IGWNIZULSMMUDJ-BJDJZHNGSA-N 1 3 214.353 1.218 20 0 BDADHO [NH3+]CCN1CCN(CC2CCCCC2)CC1 ZINC000019933478 181391302 /nfs/dbraw/zinc/39/13/02/181391302.db2.gz WMYNTJHGXYSYQR-UHFFFAOYSA-N 1 3 225.380 1.143 20 0 BDADHO Cc1n[nH]cc1CN1CCC[C@H](CC[NH3+])C1 ZINC000442926508 193005045 /nfs/dbraw/zinc/00/50/45/193005045.db2.gz YVHLPOMWIGACKV-LLVKDONJSA-N 1 3 222.336 1.279 20 0 BDADHO CC[C@H]1CN(C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000574807132 365147367 /nfs/dbraw/zinc/14/73/67/365147367.db2.gz PMAJDCLDVZDZIC-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@H]1CN(C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000574807132 365147370 /nfs/dbraw/zinc/14/73/70/365147370.db2.gz PMAJDCLDVZDZIC-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H]1CN(C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000574807135 365147840 /nfs/dbraw/zinc/14/78/40/365147840.db2.gz PMAJDCLDVZDZIC-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H]1CN(C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000574807135 365147843 /nfs/dbraw/zinc/14/78/43/365147843.db2.gz PMAJDCLDVZDZIC-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000575850666 365384508 /nfs/dbraw/zinc/38/45/08/365384508.db2.gz NBZWLELWPLDBJG-RYUDHWBXSA-N 1 3 214.353 1.248 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000576002985 365445206 /nfs/dbraw/zinc/44/52/06/365445206.db2.gz IHTONSIYTFQQKK-DBIOUOCHSA-N 1 3 200.326 1.269 20 0 BDADHO CN[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000579614105 366910182 /nfs/dbraw/zinc/91/01/82/366910182.db2.gz QSAHFIXZWAHQBQ-IUCAKERBSA-N 1 3 221.304 1.253 20 0 BDADHO COCCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702432 367140238 /nfs/dbraw/zinc/14/02/38/367140238.db2.gz ZRNOQLKCFAGNSP-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO COCCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702432 367140243 /nfs/dbraw/zinc/14/02/43/367140243.db2.gz ZRNOQLKCFAGNSP-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO COCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185702432 367140248 /nfs/dbraw/zinc/14/02/48/367140248.db2.gz ZRNOQLKCFAGNSP-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO FC1(CN2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000580833238 367181076 /nfs/dbraw/zinc/18/10/76/367181076.db2.gz COURIVGDZZHFIJ-LBPRGKRZSA-N 1 3 226.339 1.953 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CCC[C@H]1OC ZINC000380700231 367282299 /nfs/dbraw/zinc/28/22/99/367282299.db2.gz KTGXJKROVJREHJ-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000380700231 367282304 /nfs/dbraw/zinc/28/23/04/367282304.db2.gz KTGXJKROVJREHJ-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc(-n2cccn2)c1 ZINC000581297845 367326987 /nfs/dbraw/zinc/32/69/87/367326987.db2.gz AGLAYEQRPCKOKP-LBPRGKRZSA-N 1 3 244.342 1.557 20 0 BDADHO C[C@@H](NCCC[NH2+]C1CC1)[C@H]1CCCO1 ZINC000382548461 367537306 /nfs/dbraw/zinc/53/73/06/367537306.db2.gz BJCGSNZKFXMSBH-ZYHUDNBSSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]([NH2+]CCCNC1CC1)[C@H]1CCCO1 ZINC000382548461 367537310 /nfs/dbraw/zinc/53/73/10/367537310.db2.gz BJCGSNZKFXMSBH-ZYHUDNBSSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](NCCC[NH2+]C1CC1)[C@@H]1CCCO1 ZINC000382548460 367537405 /nfs/dbraw/zinc/53/74/05/367537405.db2.gz BJCGSNZKFXMSBH-PWSUYJOCSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]([NH2+]CCCNC1CC1)[C@@H]1CCCO1 ZINC000382548460 367537409 /nfs/dbraw/zinc/53/74/09/367537409.db2.gz BJCGSNZKFXMSBH-PWSUYJOCSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CCO[C@H]1C ZINC000581661123 367661466 /nfs/dbraw/zinc/66/14/66/367661466.db2.gz NPBJOTWRYYVTCS-QWRGUYRKSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000384339946 367685401 /nfs/dbraw/zinc/68/54/01/367685401.db2.gz CAZVMJOMYMUHJB-UPJWGTAASA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H](CN[C@@H]1C[C@H](C)O[C@@H]1C)C[NH+](C)C ZINC000384864989 367746055 /nfs/dbraw/zinc/74/60/55/367746055.db2.gz FCJXJHJRQQVEBL-WRWGMCAJSA-N 1 3 214.353 1.340 20 0 BDADHO CCC(C)(C)[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000581878692 367864724 /nfs/dbraw/zinc/86/47/24/367864724.db2.gz BDAUSNZCGVFYFY-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](CCCO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386066882 367908459 /nfs/dbraw/zinc/90/84/59/367908459.db2.gz YSWSZXKZAQTCKQ-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386091900 367911380 /nfs/dbraw/zinc/91/13/80/367911380.db2.gz IGVNRCQBDQLONM-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](NCCN1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386046894 367902899 /nfs/dbraw/zinc/90/28/99/367902899.db2.gz UNXRGQFXXIXMHC-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO CC(C)N(C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620921 368002926 /nfs/dbraw/zinc/00/29/26/368002926.db2.gz YEGPHOPVBTWZRV-STQMWFEESA-N 1 3 227.396 1.447 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@@H](C)O ZINC000386879380 368031730 /nfs/dbraw/zinc/03/17/30/368031730.db2.gz LWWIKRALAYXZBE-WBMYTEFPSA-N 1 3 234.343 1.880 20 0 BDADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)N(C)C ZINC000387403185 368169159 /nfs/dbraw/zinc/16/91/59/368169159.db2.gz BAUBJLIVLGEUMV-WDEREUQCSA-N 1 3 243.395 1.077 20 0 BDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C)N(C)C ZINC000387403183 368169216 /nfs/dbraw/zinc/16/92/16/368169216.db2.gz BAUBJLIVLGEUMV-QWRGUYRKSA-N 1 3 243.395 1.077 20 0 BDADHO CCCCN1CCCC[C@@H]1CNC(N)=[NH2+] ZINC000066245813 368642660 /nfs/dbraw/zinc/64/26/60/368642660.db2.gz UATLUSYAJJHBPJ-SNVBAGLBSA-N 1 3 212.341 1.124 20 0 BDADHO CC[NH+]1CCC(CNCc2cncn2C)CC1 ZINC000112837614 368876181 /nfs/dbraw/zinc/87/61/81/368876181.db2.gz WROKSVGWLOIOJY-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccncc2)C1 ZINC000086403272 368880266 /nfs/dbraw/zinc/88/02/66/368880266.db2.gz FASHEOPOSCJVCF-OLZOCXBDSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000086403272 368880268 /nfs/dbraw/zinc/88/02/68/368880268.db2.gz FASHEOPOSCJVCF-OLZOCXBDSA-N 1 3 219.332 1.484 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCN2CCCCC2)C1 ZINC000086403689 368880408 /nfs/dbraw/zinc/88/04/08/368880408.db2.gz JBSXVYPGKVWMEN-OLZOCXBDSA-N 1 3 225.380 1.332 20 0 BDADHO Nc1ccc2c(c1)CC[C@H]2NCCC[NH3+] ZINC000086728283 368884105 /nfs/dbraw/zinc/88/41/05/368884105.db2.gz YUJYUMDHUYZNPV-GFCCVEGCSA-N 1 3 205.305 1.195 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](C)C2)[C@H](C)O1 ZINC000623657135 368997921 /nfs/dbraw/zinc/99/79/21/368997921.db2.gz KIPXFXNWIXXATD-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](C)C2)[C@H](C)O1 ZINC000623657135 368997925 /nfs/dbraw/zinc/99/79/25/368997925.db2.gz KIPXFXNWIXXATD-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1CN(CCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631839843 369187428 /nfs/dbraw/zinc/18/74/28/369187428.db2.gz LPPJVGODMSWIEA-ZIAGYGMSSA-N 1 3 248.370 1.982 20 0 BDADHO C[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1CN ZINC000631839843 369187436 /nfs/dbraw/zinc/18/74/36/369187436.db2.gz LPPJVGODMSWIEA-ZIAGYGMSSA-N 1 3 248.370 1.982 20 0 BDADHO C[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1CN ZINC000631839843 369187440 /nfs/dbraw/zinc/18/74/40/369187440.db2.gz LPPJVGODMSWIEA-ZIAGYGMSSA-N 1 3 248.370 1.982 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC[C@H](C)O ZINC000459407340 203276954 /nfs/dbraw/zinc/27/69/54/203276954.db2.gz LXPSYKMCRJPCMG-BFHYXJOUSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C[C@H](C)O ZINC000459407340 203276956 /nfs/dbraw/zinc/27/69/56/203276956.db2.gz LXPSYKMCRJPCMG-BFHYXJOUSA-N 1 3 242.407 1.857 20 0 BDADHO Cc1ncc(CNCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459735043 203348010 /nfs/dbraw/zinc/34/80/10/203348010.db2.gz PJOZRMXAQZCXPP-ZDUSSCGKSA-N 1 3 248.374 1.607 20 0 BDADHO Cc1ncc(CNCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459735043 203348014 /nfs/dbraw/zinc/34/80/14/203348014.db2.gz PJOZRMXAQZCXPP-ZDUSSCGKSA-N 1 3 248.374 1.607 20 0 BDADHO CCn1nccc1CCN[C@H](C[NH3+])C(C)(C)C ZINC000621776742 370525971 /nfs/dbraw/zinc/52/59/71/370525971.db2.gz VCGABAKZYOWMOG-GFCCVEGCSA-N 1 3 238.379 1.409 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(CCC1CCC1)C2 ZINC000621783438 370533378 /nfs/dbraw/zinc/53/33/78/370533378.db2.gz BLBYCVNFZMQEIT-OLZOCXBDSA-N 1 3 208.349 1.990 20 0 BDADHO CC1(C)COC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000313012536 370562145 /nfs/dbraw/zinc/56/21/45/370562145.db2.gz BDAIFBALGGYUHV-AXFHLTTASA-N 1 3 212.337 1.271 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000623824045 371108331 /nfs/dbraw/zinc/10/83/31/371108331.db2.gz VMGYQAGMNXPKJI-XDQVBPFNSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120858 371320994 /nfs/dbraw/zinc/32/09/94/371320994.db2.gz IPKOKXPOZCRXMI-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120858 371321001 /nfs/dbraw/zinc/32/10/01/371321001.db2.gz IPKOKXPOZCRXMI-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000230463908 371914974 /nfs/dbraw/zinc/91/49/74/371914974.db2.gz JAJJHFKDIIARNX-MBJXGIAVSA-N 1 3 238.375 1.242 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000230463908 371914977 /nfs/dbraw/zinc/91/49/77/371914977.db2.gz JAJJHFKDIIARNX-MBJXGIAVSA-N 1 3 238.375 1.242 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1C[C@H]1CCO[C@@H]1C ZINC000631822220 372584554 /nfs/dbraw/zinc/58/45/54/372584554.db2.gz WVOQBYIPPWCDDK-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1C[C@H]1CCO[C@@H]1C ZINC000631822220 372584561 /nfs/dbraw/zinc/58/45/61/372584561.db2.gz WVOQBYIPPWCDDK-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO Cc1nccnc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000631820459 372592958 /nfs/dbraw/zinc/59/29/58/372592958.db2.gz AONLGSMEGHPAII-JTQLQIEISA-N 1 3 234.347 1.344 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCO[C@@H]1C ZINC000631822168 372598378 /nfs/dbraw/zinc/59/83/78/372598378.db2.gz UZFHFARMNHNHIY-JHJVBQTASA-N 1 3 228.380 1.717 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCC[C@H]1CCN ZINC000631826399 372605805 /nfs/dbraw/zinc/60/58/05/372605805.db2.gz MMQQCWBYTCLTFW-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCCC[C@H]1CCN ZINC000631826399 372605807 /nfs/dbraw/zinc/60/58/07/372605807.db2.gz MMQQCWBYTCLTFW-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO C1=C(C[NH2+]CCCNC2CC2)COCC1 ZINC000382587150 374252269 /nfs/dbraw/zinc/25/22/69/374252269.db2.gz UYJKDDPHFNAWMY-UHFFFAOYSA-N 1 3 210.321 1.065 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424378133 206039829 /nfs/dbraw/zinc/03/98/29/206039829.db2.gz SFCSOMCDABTUED-WUHRBBMRSA-N 1 3 208.349 1.892 20 0 BDADHO CO[C@@H](C)[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369346 206040311 /nfs/dbraw/zinc/04/03/11/206040311.db2.gz BLIXVLYXMKMZPY-LMLFDSFASA-N 1 3 200.326 1.269 20 0 BDADHO CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503683 169008088 /nfs/dbraw/zinc/00/80/88/169008088.db2.gz MJCVXOHSJFQLFZ-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509717 183139022 /nfs/dbraw/zinc/13/90/22/183139022.db2.gz LGPJJDNBJVIJSP-MELADBBJSA-N 1 3 238.375 1.221 20 0 BDADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509717 183139024 /nfs/dbraw/zinc/13/90/24/183139024.db2.gz LGPJJDNBJVIJSP-MELADBBJSA-N 1 3 238.375 1.221 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336678675 169079122 /nfs/dbraw/zinc/07/91/22/169079122.db2.gz BVCSIWYCAVJHQS-CYBMUJFWSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336678675 169079125 /nfs/dbraw/zinc/07/91/25/169079125.db2.gz BVCSIWYCAVJHQS-CYBMUJFWSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@@H](O)CC)CC1 ZINC000304434877 169186299 /nfs/dbraw/zinc/18/62/99/169186299.db2.gz RMMHPTGNZUTGQT-ZDUSSCGKSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@@H](O)C(C)C)CC1 ZINC000336721990 169187546 /nfs/dbraw/zinc/18/75/46/169187546.db2.gz XTUPBSKRJKGYOY-CQSZACIVSA-N 1 3 242.407 1.810 20 0 BDADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)OC)CC1 ZINC000049555405 169189764 /nfs/dbraw/zinc/18/97/64/169189764.db2.gz DMJVXYOYQKYRKS-LLVKDONJSA-N 1 3 242.363 1.402 20 0 BDADHO c1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000127699525 183395393 /nfs/dbraw/zinc/39/53/93/183395393.db2.gz NHUGJRHRYWUHQN-HUUCEWRRSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000127699525 183395394 /nfs/dbraw/zinc/39/53/94/183395394.db2.gz NHUGJRHRYWUHQN-HUUCEWRRSA-N 1 3 245.370 1.841 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295161718 169392235 /nfs/dbraw/zinc/39/22/35/169392235.db2.gz KPWSMJJGLSSDMT-CYBMUJFWSA-N 1 3 247.342 1.398 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182192190 134342683 /nfs/dbraw/zinc/34/26/83/134342683.db2.gz UCXHGHSCVIZLOD-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182192190 134342684 /nfs/dbraw/zinc/34/26/84/134342684.db2.gz UCXHGHSCVIZLOD-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000224436311 134347087 /nfs/dbraw/zinc/34/70/87/134347087.db2.gz XTNOGULTLXJWDX-UMSGYPCISA-N 1 3 228.380 1.872 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000224436311 134347088 /nfs/dbraw/zinc/34/70/88/134347088.db2.gz XTNOGULTLXJWDX-UMSGYPCISA-N 1 3 228.380 1.872 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451291 134347579 /nfs/dbraw/zinc/34/75/79/134347579.db2.gz VBKYCHRLJVRKNW-RWMBFGLXSA-N 1 3 240.416 1.956 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451291 134347580 /nfs/dbraw/zinc/34/75/80/134347580.db2.gz VBKYCHRLJVRKNW-RWMBFGLXSA-N 1 3 240.416 1.956 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451291 134347581 /nfs/dbraw/zinc/34/75/81/134347581.db2.gz VBKYCHRLJVRKNW-RWMBFGLXSA-N 1 3 240.416 1.956 20 0 BDADHO CO[C@H](CN[C@@H](C)CC[NH+](C)C)CC(C)C ZINC000669572615 487528311 /nfs/dbraw/zinc/52/83/11/487528311.db2.gz VZRZALCWHVKFEW-STQMWFEESA-N 1 3 230.396 1.977 20 0 BDADHO CCCN(CC)CC[NH2+]C1CCN(C)CC1 ZINC000226330130 134360172 /nfs/dbraw/zinc/36/01/72/134360172.db2.gz QUDDYHNSQQANBX-UHFFFAOYSA-N 1 3 227.396 1.402 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCO1 ZINC000251271502 383881685 /nfs/dbraw/zinc/88/16/85/383881685.db2.gz XSGQKRSWJLWIOO-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](C[NH2+]CC1(C)COC1)CN1CCCCC1 ZINC000227525540 134382659 /nfs/dbraw/zinc/38/26/59/134382659.db2.gz GISKPTJFCMTYDM-ZDUSSCGKSA-N 1 3 240.391 1.735 20 0 BDADHO CCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036908719 383920179 /nfs/dbraw/zinc/92/01/79/383920179.db2.gz BOMXMNITEGNHQL-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO CCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908719 383920187 /nfs/dbraw/zinc/92/01/87/383920187.db2.gz BOMXMNITEGNHQL-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042486 383932424 /nfs/dbraw/zinc/93/24/24/383932424.db2.gz VEXFKOCTRKNKJU-ZDUSSCGKSA-N 1 3 249.358 1.670 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515493 383992825 /nfs/dbraw/zinc/99/28/25/383992825.db2.gz SWHRMLJCYZXOFU-HIFRSBDPSA-N 1 3 248.370 1.604 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515493 383992829 /nfs/dbraw/zinc/99/28/29/383992829.db2.gz SWHRMLJCYZXOFU-HIFRSBDPSA-N 1 3 248.370 1.604 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401801471 384035881 /nfs/dbraw/zinc/03/58/81/384035881.db2.gz UQHJIHZYRCAPKE-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1CCCO1 ZINC000643548653 384040009 /nfs/dbraw/zinc/04/00/09/384040009.db2.gz SRHVBAHKHBIEQB-XQQFMLRXSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCCO1 ZINC000643548653 384040016 /nfs/dbraw/zinc/04/00/16/384040016.db2.gz SRHVBAHKHBIEQB-XQQFMLRXSA-N 1 3 238.375 1.818 20 0 BDADHO CCOC[C@H]1CCCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000313216728 384054809 /nfs/dbraw/zinc/05/48/09/384054809.db2.gz RSTMMMSNHRYIDJ-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000336615659 384235651 /nfs/dbraw/zinc/23/56/51/384235651.db2.gz MYARYYCRAIKTLE-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO CSCCC[NH+]1CCC(N(C)C)CC1 ZINC000173522377 384224931 /nfs/dbraw/zinc/22/49/31/384224931.db2.gz GARAJUPMQPWHCO-UHFFFAOYSA-N 1 3 216.394 1.766 20 0 BDADHO C[C@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000402943728 384281735 /nfs/dbraw/zinc/28/17/35/384281735.db2.gz NXRNJNKXZXYOLY-FQUUOJAGSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000402943728 384281744 /nfs/dbraw/zinc/28/17/44/384281744.db2.gz NXRNJNKXZXYOLY-FQUUOJAGSA-N 1 3 238.375 1.615 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000173914174 384285186 /nfs/dbraw/zinc/28/51/86/384285186.db2.gz QSLVCISOSCMGOI-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000173914174 384285193 /nfs/dbraw/zinc/28/51/93/384285193.db2.gz QSLVCISOSCMGOI-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN(CCC3(O)CCC3)C2)C1 ZINC000335473945 384289213 /nfs/dbraw/zinc/28/92/13/384289213.db2.gz FWAYGLLNKLFXNB-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO C[N@H+]1CC[C@]2(CCN(CCC3(O)CCC3)C2)C1 ZINC000335473945 384289219 /nfs/dbraw/zinc/28/92/19/384289219.db2.gz FWAYGLLNKLFXNB-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCCF)C[C@H]1CN ZINC000397327639 384303266 /nfs/dbraw/zinc/30/32/66/384303266.db2.gz VUABRRKBVBQKRR-GMTAPVOTSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCF)C[C@H]1CN ZINC000397327639 384303277 /nfs/dbraw/zinc/30/32/77/384303277.db2.gz VUABRRKBVBQKRR-GMTAPVOTSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCCF)C[C@H]1C[NH3+] ZINC000397327639 384303280 /nfs/dbraw/zinc/30/32/80/384303280.db2.gz VUABRRKBVBQKRR-GMTAPVOTSA-N 1 3 202.317 1.651 20 0 BDADHO COC[C@@H](NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000397244983 384417406 /nfs/dbraw/zinc/41/74/06/384417406.db2.gz NHDQZMPLZGMIJT-CMPLNLGQSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCCNC1)C1CC1 ZINC000397244983 384417410 /nfs/dbraw/zinc/41/74/10/384417410.db2.gz NHDQZMPLZGMIJT-CMPLNLGQSA-N 1 3 212.337 1.001 20 0 BDADHO COCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216530 384376737 /nfs/dbraw/zinc/37/67/37/384376737.db2.gz DJLQTUGYMOHVGQ-NEPJUHHUSA-N 1 3 214.353 1.520 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000084217917 384378047 /nfs/dbraw/zinc/37/80/47/384378047.db2.gz KOJDKZMTTXSZKC-WDEREUQCSA-N 1 3 200.326 1.130 20 0 BDADHO C[C@H]1CSC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335660321 384461230 /nfs/dbraw/zinc/46/12/30/384461230.db2.gz CRDMLIOEUPJRPY-CMPLNLGQSA-N 1 3 226.389 1.589 20 0 BDADHO C[C@H](C[NH2+]C1CCN(C2CC2)CC1)N(C)C ZINC000309205044 384483238 /nfs/dbraw/zinc/48/32/38/384483238.db2.gz CELCAXUDYGUFFM-LLVKDONJSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176655 384498914 /nfs/dbraw/zinc/49/89/14/384498914.db2.gz SMFIUEYWWOVVBH-DGCLKSJQSA-N 1 3 238.375 1.770 20 0 BDADHO COC1(C[N@@H+]2CC[C@H](C)[C@@H](CN)C2)CCCC1 ZINC000319853987 384514790 /nfs/dbraw/zinc/51/47/90/384514790.db2.gz LGMOUGNTDUVWLS-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO COC1(C[N@H+]2CC[C@H](C)[C@@H](CN)C2)CCCC1 ZINC000319853987 384514797 /nfs/dbraw/zinc/51/47/97/384514797.db2.gz LGMOUGNTDUVWLS-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO CCCN[C@@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000449080171 384516788 /nfs/dbraw/zinc/51/67/88/384516788.db2.gz TWDADZPRLZIYFF-NSHDSACASA-N 1 3 249.358 1.733 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H](C)CC[NH+](C)C ZINC000309738876 384570035 /nfs/dbraw/zinc/57/00/35/384570035.db2.gz HEIMYJVRQFWIKJ-NWDGAFQWSA-N 1 3 224.352 1.201 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000151431368 384573948 /nfs/dbraw/zinc/57/39/48/384573948.db2.gz NKQFPPZYPPPWKR-NSHDSACASA-N 1 3 202.317 1.620 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCCF)C1 ZINC000151431368 384573958 /nfs/dbraw/zinc/57/39/58/384573958.db2.gz NKQFPPZYPPPWKR-NSHDSACASA-N 1 3 202.317 1.620 20 0 BDADHO CN(C)C1CC[NH+](CCC(C)(C)O)CC1 ZINC000086233996 384624190 /nfs/dbraw/zinc/62/41/90/384624190.db2.gz XQYLYIHMOZLUMP-UHFFFAOYSA-N 1 3 214.353 1.173 20 0 BDADHO CC1(C)CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334849633 384591614 /nfs/dbraw/zinc/59/16/14/384591614.db2.gz XVHLBZWBZVLTDC-GDNZZTSVSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)(N)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000647538456 384668701 /nfs/dbraw/zinc/66/87/01/384668701.db2.gz STLSRRSKYHBUND-CYBMUJFWSA-N 1 3 233.359 1.683 20 0 BDADHO CC(C)(N)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000647538456 384668706 /nfs/dbraw/zinc/66/87/06/384668706.db2.gz STLSRRSKYHBUND-CYBMUJFWSA-N 1 3 233.359 1.683 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367601844 384643826 /nfs/dbraw/zinc/64/38/26/384643826.db2.gz PWQNXLLAKGCHPE-MCIONIFRSA-N 1 3 248.374 1.681 20 0 BDADHO COCCCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495097 384658483 /nfs/dbraw/zinc/65/84/83/384658483.db2.gz PIGAQTYFOWDENW-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCSC1 ZINC000306617096 384788031 /nfs/dbraw/zinc/78/80/31/384788031.db2.gz QRKAZHKPMHMOIS-GARJFASQSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCSC1 ZINC000306617095 384788174 /nfs/dbraw/zinc/78/81/74/384788174.db2.gz QRKAZHKPMHMOIS-DCAQKATOSA-N 1 3 214.378 1.470 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000423389235 384853810 /nfs/dbraw/zinc/85/38/10/384853810.db2.gz ODIAJXXWABMVJB-SDDRHHMPSA-N 1 3 214.353 1.661 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cccn2C)C1 ZINC000175013567 384858673 /nfs/dbraw/zinc/85/86/73/384858673.db2.gz CGLURJJKFRSILV-STQMWFEESA-N 1 3 235.375 1.988 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)CNC2CC2)c1 ZINC000557171185 384861735 /nfs/dbraw/zinc/86/17/35/384861735.db2.gz BYWFJJDUXUCFJZ-UHFFFAOYSA-N 1 3 233.315 1.097 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(F)cc1 ZINC000259039889 384951448 /nfs/dbraw/zinc/95/14/48/384951448.db2.gz PEUFZFDJGKVHHZ-QWHCGFSZSA-N 1 3 222.307 1.838 20 0 BDADHO CCC[NH+](CCC)CCCN[C@@H](C)[C@H](C)O ZINC000644543968 384955512 /nfs/dbraw/zinc/95/55/12/384955512.db2.gz DSLJGZZMQDYFPS-STQMWFEESA-N 1 3 230.396 1.857 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@@H](C)O)CN1CCCCC1 ZINC000564843559 384956949 /nfs/dbraw/zinc/95/69/49/384956949.db2.gz AOZYGAPPPHXJTD-JHJVBQTASA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H](C)O)C[NH+]1CCCCC1 ZINC000564843559 384956953 /nfs/dbraw/zinc/95/69/53/384956953.db2.gz AOZYGAPPPHXJTD-JHJVBQTASA-N 1 3 228.380 1.467 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220682604 384891512 /nfs/dbraw/zinc/89/15/12/384891512.db2.gz JARMPRHJBYAWJR-GXSJLCMTSA-N 1 3 214.378 1.742 20 0 BDADHO C[C@@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000644525458 384937291 /nfs/dbraw/zinc/93/72/91/384937291.db2.gz MHSBWPPNFQSSTB-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](O)CNC[C@H](C)C[NH+]1CCCCC1 ZINC000644525458 384937298 /nfs/dbraw/zinc/93/72/98/384937298.db2.gz MHSBWPPNFQSSTB-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(F)c(F)c1 ZINC000258751816 384939720 /nfs/dbraw/zinc/93/97/20/384939720.db2.gz ADFNZPNAWBIPRR-CHWSQXEVSA-N 1 3 240.297 1.977 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CC)C1 ZINC000644530162 384940576 /nfs/dbraw/zinc/94/05/76/384940576.db2.gz SUTUYSQNYLUBNV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CC)C1 ZINC000644530162 384940581 /nfs/dbraw/zinc/94/05/81/384940581.db2.gz SUTUYSQNYLUBNV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CC)C1 ZINC000644530162 384940588 /nfs/dbraw/zinc/94/05/88/384940588.db2.gz SUTUYSQNYLUBNV-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000259214858 384960186 /nfs/dbraw/zinc/96/01/86/384960186.db2.gz XJCYNSHYVGNUHM-CHWSQXEVSA-N 1 3 220.316 1.665 20 0 BDADHO CCN(CC)CC[NH2+]C1CCN(C2CC2)CC1 ZINC000310287913 384945535 /nfs/dbraw/zinc/94/55/35/384945535.db2.gz QYBJDAJWFNUGNR-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO Cc1cc(CNCCCC[NH+](C)C)sn1 ZINC000404471901 385017397 /nfs/dbraw/zinc/01/73/97/385017397.db2.gz RIOUBIXJJYQNMU-UHFFFAOYSA-N 1 3 227.377 1.883 20 0 BDADHO CC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OC ZINC000310419285 385051257 /nfs/dbraw/zinc/05/12/57/385051257.db2.gz NXGFSTFYWAASPE-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CN(CCOC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000566246067 385130131 /nfs/dbraw/zinc/13/01/31/385130131.db2.gz DIUBPJPHZONGGM-GFCCVEGCSA-N 1 3 244.379 1.099 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCC[C@@H]1CCCO1 ZINC000404844533 385103829 /nfs/dbraw/zinc/10/38/29/385103829.db2.gz OJDMYHCZZKTFAQ-HBNTYKKESA-N 1 3 212.337 1.271 20 0 BDADHO CC1(C)COC[C@H]1NCCC[NH+]1CCCCC1 ZINC000313015049 385151957 /nfs/dbraw/zinc/15/19/57/385151957.db2.gz XIERRFYCDIXSRX-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO Fc1ccc2c(c1)[C@@H](N1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294113 385177096 /nfs/dbraw/zinc/17/70/96/385177096.db2.gz AYQVJTREQUWISS-ZOWXZIJZSA-N 1 3 246.329 1.964 20 0 BDADHO CN(Cc1ccncc1)CC1CC[NH+](C)CC1 ZINC000130442760 385250026 /nfs/dbraw/zinc/25/00/26/385250026.db2.gz GIICJMPABYCDIE-UHFFFAOYSA-N 1 3 233.359 1.855 20 0 BDADHO OCCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157902796 385304024 /nfs/dbraw/zinc/30/40/24/385304024.db2.gz QXHPLKBNBOBDOP-CHWSQXEVSA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157902796 385304029 /nfs/dbraw/zinc/30/40/29/385304029.db2.gz QXHPLKBNBOBDOP-CHWSQXEVSA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000157902796 385304032 /nfs/dbraw/zinc/30/40/32/385304032.db2.gz QXHPLKBNBOBDOP-CHWSQXEVSA-N 1 3 226.364 1.365 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000308962107 385314246 /nfs/dbraw/zinc/31/42/46/385314246.db2.gz ZZQAFPWNJXECMF-IJLUTSLNSA-N 1 3 214.353 1.519 20 0 BDADHO Cc1ccc(NC(=O)CC[NH3+])c(CN(C)C)c1 ZINC000237036549 385259312 /nfs/dbraw/zinc/25/93/12/385259312.db2.gz PKSQEBOCPRZXAF-UHFFFAOYSA-N 1 3 235.331 1.344 20 0 BDADHO FC(F)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409424363 385332179 /nfs/dbraw/zinc/33/21/79/385332179.db2.gz BRRHOYYZCXVRPM-SECBINFHSA-N 1 3 218.291 1.716 20 0 BDADHO FC(F)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409424363 385332183 /nfs/dbraw/zinc/33/21/83/385332183.db2.gz BRRHOYYZCXVRPM-SECBINFHSA-N 1 3 218.291 1.716 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2ccccc21 ZINC000308992679 385336491 /nfs/dbraw/zinc/33/64/91/385336491.db2.gz OIIAHWAVYQHIOH-GXFFZTMASA-N 1 3 204.317 1.858 20 0 BDADHO CN(Cc1ccccn1)CC1CC[NH+](C)CC1 ZINC000154818855 385357045 /nfs/dbraw/zinc/35/70/45/385357045.db2.gz YEJGPKXUYDHWLF-UHFFFAOYSA-N 1 3 233.359 1.855 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC1(C)C ZINC000309031645 385379753 /nfs/dbraw/zinc/37/97/53/385379753.db2.gz CAGJLSLXWLYBCD-LLVKDONJSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])C2(C)C)O1 ZINC000405287715 385449857 /nfs/dbraw/zinc/44/98/57/385449857.db2.gz HIORGWXNWOFIDT-GWOFURMSSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](N)C2(C)C)O1 ZINC000405287715 385449859 /nfs/dbraw/zinc/44/98/59/385449859.db2.gz HIORGWXNWOFIDT-GWOFURMSSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)(C[NH3+])C(=O)Nc1cccc2c1CCNC2 ZINC000644086589 385437198 /nfs/dbraw/zinc/43/71/98/385437198.db2.gz CVJMVNVAGUZXSU-UHFFFAOYSA-N 1 3 247.342 1.256 20 0 BDADHO CC(C)OCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405307343 385467537 /nfs/dbraw/zinc/46/75/37/385467537.db2.gz LKHIZRZWYFGNEF-ZJUUUORDSA-N 1 3 200.326 1.127 20 0 BDADHO CC(C)OCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000405307343 385467541 /nfs/dbraw/zinc/46/75/41/385467541.db2.gz LKHIZRZWYFGNEF-ZJUUUORDSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CC1(C)C ZINC000309460931 385592675 /nfs/dbraw/zinc/59/26/75/385592675.db2.gz OUUZFJRBTFHNGH-RYUDHWBXSA-N 1 3 228.380 1.589 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000414849237 385626493 /nfs/dbraw/zinc/62/64/93/385626493.db2.gz XUFOTTJCUFPJII-UMSGYPCISA-N 1 3 240.391 1.635 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000414849237 385626500 /nfs/dbraw/zinc/62/65/00/385626500.db2.gz XUFOTTJCUFPJII-UMSGYPCISA-N 1 3 240.391 1.635 20 0 BDADHO CN(C)C1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000334707686 385609941 /nfs/dbraw/zinc/60/99/41/385609941.db2.gz GVOXQLYFFPKJTG-LLVKDONJSA-N 1 3 228.405 1.766 20 0 BDADHO C[NH+](C)C1CCN(C[C@H]2CCSC2)CC1 ZINC000334707686 385609947 /nfs/dbraw/zinc/60/99/47/385609947.db2.gz GVOXQLYFFPKJTG-LLVKDONJSA-N 1 3 228.405 1.766 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000309588967 385717213 /nfs/dbraw/zinc/71/72/13/385717213.db2.gz UACMRELOSALTCO-LLVKDONJSA-N 1 3 226.364 1.221 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000221764422 385700453 /nfs/dbraw/zinc/70/04/53/385700453.db2.gz XHVBYHSOUQQFBS-BFHYXJOUSA-N 1 3 239.407 1.543 20 0 BDADHO CCCC[C@H](COC)NCCC[NH2+]C ZINC000414859419 385740642 /nfs/dbraw/zinc/74/06/42/385740642.db2.gz MVOQQRUEQMFMNQ-LLVKDONJSA-N 1 3 202.342 1.391 20 0 BDADHO CCCC[C@H](COC)[NH2+]CCCNC ZINC000414859419 385740646 /nfs/dbraw/zinc/74/06/46/385740646.db2.gz MVOQQRUEQMFMNQ-LLVKDONJSA-N 1 3 202.342 1.391 20 0 BDADHO C(CN1CCCC1)C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369867935 385751964 /nfs/dbraw/zinc/75/19/64/385751964.db2.gz NBGNMUVCOWBHBB-ZIAGYGMSSA-N 1 3 238.375 1.726 20 0 BDADHO C(CN1CCCC1)C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000369867935 385751967 /nfs/dbraw/zinc/75/19/67/385751967.db2.gz NBGNMUVCOWBHBB-ZIAGYGMSSA-N 1 3 238.375 1.726 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]CCCNC)CCO1 ZINC000414861652 385753148 /nfs/dbraw/zinc/75/31/48/385753148.db2.gz SPXBEOQWERFWER-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1cccc(OC)n1 ZINC000414863128 385755179 /nfs/dbraw/zinc/75/51/79/385755179.db2.gz WULXXQVUJKDKMQ-LLVKDONJSA-N 1 3 237.347 1.220 20 0 BDADHO CC[NH+](CC)CCCN[C@H](CO)C(C)(C)C ZINC000309637362 385760744 /nfs/dbraw/zinc/76/07/44/385760744.db2.gz JUUNPFCONJOMGN-GFCCVEGCSA-N 1 3 230.396 1.715 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](CO)C(C)(C)C ZINC000309637362 385760750 /nfs/dbraw/zinc/76/07/50/385760750.db2.gz JUUNPFCONJOMGN-GFCCVEGCSA-N 1 3 230.396 1.715 20 0 BDADHO CC(C)CCC[NH2+]CC1(O)CCN(C)CC1 ZINC000309669639 385784375 /nfs/dbraw/zinc/78/43/75/385784375.db2.gz JHFPWOMWDVYVMY-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414948160 385808118 /nfs/dbraw/zinc/80/81/18/385808118.db2.gz XUMPLQKEQJNHIP-SCRDCRAPSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)CCO1 ZINC000414950896 385820324 /nfs/dbraw/zinc/82/03/24/385820324.db2.gz PEARLJAUWGVNME-AAVRWANBSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](N[C@H]1CCS[C@H]1C)C1C[NH2+]C1 ZINC000647804171 385840510 /nfs/dbraw/zinc/84/05/10/385840510.db2.gz KQJFBEXCNDLTOJ-NRPADANISA-N 1 3 200.351 1.078 20 0 BDADHO C[C@H]([NH2+][C@H]1CCS[C@H]1C)C1CNC1 ZINC000647804171 385840512 /nfs/dbraw/zinc/84/05/12/385840512.db2.gz KQJFBEXCNDLTOJ-NRPADANISA-N 1 3 200.351 1.078 20 0 BDADHO CC(C)OCC[N@H+](C1CC1)C1CCNCC1 ZINC000647814293 385869382 /nfs/dbraw/zinc/86/93/82/385869382.db2.gz HHLZFVZBCMWEIV-UHFFFAOYSA-N 1 3 226.364 1.628 20 0 BDADHO CC(C)OCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814293 385869385 /nfs/dbraw/zinc/86/93/85/385869385.db2.gz HHLZFVZBCMWEIV-UHFFFAOYSA-N 1 3 226.364 1.628 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000338352368 385977720 /nfs/dbraw/zinc/97/77/20/385977720.db2.gz UPBDLCVXRFOMKR-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CCC[C@]1(C)CO ZINC000338352368 385977724 /nfs/dbraw/zinc/97/77/24/385977724.db2.gz UPBDLCVXRFOMKR-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@H]1CCNC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335022376 385982987 /nfs/dbraw/zinc/98/29/87/385982987.db2.gz DHQVVKHQHURMHJ-SMDDNHRTSA-N 1 3 237.391 1.201 20 0 BDADHO C([NH2+]C1CCNCC1)C12CCC(CC1)C2 ZINC000335023391 385985634 /nfs/dbraw/zinc/98/56/34/385985634.db2.gz HNOMFMHTUNHCAA-UHFFFAOYSA-N 1 3 208.349 1.908 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414972615 385986480 /nfs/dbraw/zinc/98/64/80/385986480.db2.gz AZEFHBQGWQYDRF-ZDUSSCGKSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335046040 385941934 /nfs/dbraw/zinc/94/19/34/385941934.db2.gz ZAQOGDXGMXGGFY-OLZOCXBDSA-N 1 3 240.391 1.659 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000338291485 385946932 /nfs/dbraw/zinc/94/69/32/385946932.db2.gz XUFIVSJLSFOODE-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000338291485 385946936 /nfs/dbraw/zinc/94/69/36/385946936.db2.gz XUFIVSJLSFOODE-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000338304878 385953795 /nfs/dbraw/zinc/95/37/95/385953795.db2.gz PWNPPOMHRFFMGI-MJBXVCDLSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000338304878 385953798 /nfs/dbraw/zinc/95/37/98/385953798.db2.gz PWNPPOMHRFFMGI-MJBXVCDLSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H]([NH3+])CCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000335059885 385961584 /nfs/dbraw/zinc/96/15/84/385961584.db2.gz FZFAOMYVHNQYEG-CMPLNLGQSA-N 1 3 247.342 1.030 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)C[C@H]1C ZINC000338317188 385967813 /nfs/dbraw/zinc/96/78/13/385967813.db2.gz MRCYLYGMPJATBH-CYBMUJFWSA-N 1 3 227.396 1.354 20 0 BDADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)CC[C@@H]1O ZINC000189244752 385974454 /nfs/dbraw/zinc/97/44/54/385974454.db2.gz BNUSZNCXPSGADQ-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)CC[C@@H]1O ZINC000189244752 385974459 /nfs/dbraw/zinc/97/44/59/385974459.db2.gz BNUSZNCXPSGADQ-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO COC1(CN[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000309479940 386012598 /nfs/dbraw/zinc/01/25/98/386012598.db2.gz DEHQTRSFMUJJAQ-LBPRGKRZSA-N 1 3 226.364 1.677 20 0 BDADHO COC1(C[NH2+][C@H]2CCCNCC2)CCCC1 ZINC000309479940 386012602 /nfs/dbraw/zinc/01/26/02/386012602.db2.gz DEHQTRSFMUJJAQ-LBPRGKRZSA-N 1 3 226.364 1.677 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCNC1)CC1CCOCC1 ZINC000414882395 386012587 /nfs/dbraw/zinc/01/25/87/386012587.db2.gz MHZCKWUBPSYYSR-YPMHNXCESA-N 1 3 226.364 1.391 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](C)CN)CCO1 ZINC000414884811 386050500 /nfs/dbraw/zinc/05/05/00/386050500.db2.gz WJCNVZZFWVJLJZ-SDDRHHMPSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCNC1 ZINC000414888477 386101439 /nfs/dbraw/zinc/10/14/39/386101439.db2.gz RYSISNKGZQHSDP-JQWIXIFHSA-N 1 3 212.337 1.143 20 0 BDADHO CC(=O)Nc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000414888375 386103094 /nfs/dbraw/zinc/10/30/94/386103094.db2.gz RHQIODNKHODBNS-SNVBAGLBSA-N 1 3 235.331 1.472 20 0 BDADHO CCc1ncc(CNCC2CC[NH+](C)CC2)cn1 ZINC000414320169 386117811 /nfs/dbraw/zinc/11/78/11/386117811.db2.gz AEKXBECVZBSJKM-UHFFFAOYSA-N 1 3 248.374 1.470 20 0 BDADHO N[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000414890133 386120497 /nfs/dbraw/zinc/12/04/97/386120497.db2.gz HCXQCAXKYGKIHY-GFCCVEGCSA-N 1 3 230.315 1.390 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccccc1OC ZINC000414982262 386065257 /nfs/dbraw/zinc/06/52/57/386065257.db2.gz CNTFSNPUYVRCGS-DGCLKSJQSA-N 1 3 236.359 1.953 20 0 BDADHO Cc1cc(F)ccc1CNC[C@H](C)C[NH3+] ZINC000414887127 386084475 /nfs/dbraw/zinc/08/44/75/386084475.db2.gz YTFOVFOQKOOXBW-SECBINFHSA-N 1 3 210.296 1.819 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)CCN)CCO1 ZINC000414888536 386096998 /nfs/dbraw/zinc/09/69/98/386096998.db2.gz FGPJBIBYASYWOS-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCNC1 ZINC000414888478 386099321 /nfs/dbraw/zinc/09/93/21/386099321.db2.gz RYSISNKGZQHSDP-PWSUYJOCSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2c(cccc2OC)C1 ZINC000414992452 386156030 /nfs/dbraw/zinc/15/60/30/386156030.db2.gz RPEFJYAGZDGQEC-CHWSQXEVSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@@H](CCN)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414894403 386173732 /nfs/dbraw/zinc/17/37/32/386173732.db2.gz LHHLAPNTNBTBBU-LBPRGKRZSA-N 1 3 248.370 1.881 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@]1(C)CCCO1 ZINC000340530981 386141946 /nfs/dbraw/zinc/14/19/46/386141946.db2.gz INNJTWRUIOLIJQ-OCCSQVGLSA-N 1 3 238.375 1.796 20 0 BDADHO CCC1(CO)CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414701890 386205720 /nfs/dbraw/zinc/20/57/20/386205720.db2.gz LDLNFBMSMCBCSE-CYBMUJFWSA-N 1 3 242.407 1.844 20 0 BDADHO Cc1cc(CNCC2(C)CC[NH2+]CC2)nn1C ZINC000414897333 386217838 /nfs/dbraw/zinc/21/78/38/386217838.db2.gz DPUMDZHGCZXBHR-UHFFFAOYSA-N 1 3 236.363 1.208 20 0 BDADHO CN(C)c1ccccc1CN1CCC[C@H](C[NH3+])C1 ZINC000347135966 386239522 /nfs/dbraw/zinc/23/95/22/386239522.db2.gz SYQHYQGGNDUPBM-CYBMUJFWSA-N 1 3 247.386 1.923 20 0 BDADHO CN(CCC[NH+](C)C)C[C@@H]1CCCOC1 ZINC000336645495 386252937 /nfs/dbraw/zinc/25/29/37/386252937.db2.gz IAWGZVGJSXBQGU-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336667775 386295716 /nfs/dbraw/zinc/29/57/16/386295716.db2.gz ORZRJTRQHXHYJH-OLZOCXBDSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336667775 386295720 /nfs/dbraw/zinc/29/57/20/386295720.db2.gz ORZRJTRQHXHYJH-OLZOCXBDSA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336667775 386295723 /nfs/dbraw/zinc/29/57/23/386295723.db2.gz ORZRJTRQHXHYJH-OLZOCXBDSA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336667775 386295726 /nfs/dbraw/zinc/29/57/26/386295726.db2.gz ORZRJTRQHXHYJH-OLZOCXBDSA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)[C@H](O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336668205 386297253 /nfs/dbraw/zinc/29/72/53/386297253.db2.gz RUVZQHYQSRDKED-QWHCGFSZSA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)[C@H](O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336668205 386297257 /nfs/dbraw/zinc/29/72/57/386297257.db2.gz RUVZQHYQSRDKED-QWHCGFSZSA-N 1 3 228.380 1.277 20 0 BDADHO CO[C@@H](C)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000336660661 386299729 /nfs/dbraw/zinc/29/97/29/386299729.db2.gz AWVBAMRFZSYMHN-LBPRGKRZSA-N 1 3 228.380 1.826 20 0 BDADHO CCOC[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000414902422 386321394 /nfs/dbraw/zinc/32/13/94/386321394.db2.gz HZQHAJBXHPKJBZ-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO CC(C)C[C@H]([NH3+])CN[C@H](CO)C(C)(C)C ZINC000414740871 386321473 /nfs/dbraw/zinc/32/14/73/386321473.db2.gz LTPVTFIAHSONKH-WDEREUQCSA-N 1 3 216.369 1.356 20 0 BDADHO C[C@@H]1CN(CC[NH2+]C(C)(C)C)[C@H](C)CN1C ZINC000414739147 386322710 /nfs/dbraw/zinc/32/27/10/386322710.db2.gz JYBMTERMIWWGRV-VXGBXAGGSA-N 1 3 227.396 1.399 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CC[C@H](C2CCOCC2)C1 ZINC000647989579 386358570 /nfs/dbraw/zinc/35/85/70/386358570.db2.gz HMBRRMVLZRIEAK-JSGCOSHPSA-N 1 3 238.375 1.344 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CC[C@@H](C2CCOCC2)C1 ZINC000647989581 386359350 /nfs/dbraw/zinc/35/93/50/386359350.db2.gz HMBRRMVLZRIEAK-TZMCWYRMSA-N 1 3 238.375 1.344 20 0 BDADHO CCOc1cccc(CNCCCC[NH3+])n1 ZINC000414906015 386367657 /nfs/dbraw/zinc/36/76/57/386367657.db2.gz OZLNHEHJEIVDLV-UHFFFAOYSA-N 1 3 223.320 1.309 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397196 386387149 /nfs/dbraw/zinc/38/71/49/386387149.db2.gz CRJKPTLMDMLVAO-WOPDTQHZSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397196 386387156 /nfs/dbraw/zinc/38/71/56/386387156.db2.gz CRJKPTLMDMLVAO-WOPDTQHZSA-N 1 3 243.395 1.206 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+][C@H](C)CCN)C2 ZINC000414903380 386331595 /nfs/dbraw/zinc/33/15/95/386331595.db2.gz ZNSJHZJWIXPIIA-YPMHNXCESA-N 1 3 248.370 1.879 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+][C@H](C)CCN)C2 ZINC000414903375 386331922 /nfs/dbraw/zinc/33/19/22/386331922.db2.gz ZNSJHZJWIXPIIA-DGCLKSJQSA-N 1 3 248.370 1.879 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3cccnc3)C[C@@H]21 ZINC000230045800 386337181 /nfs/dbraw/zinc/33/71/81/386337181.db2.gz ZEBXEIIFILXLPY-SOUVJXGZSA-N 1 3 245.370 1.683 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H](C)Cc1cnccn1 ZINC000347353323 386392339 /nfs/dbraw/zinc/39/23/39/386392339.db2.gz ACEOAHOWRPPUNT-VXGBXAGGSA-N 1 3 236.363 1.337 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)CC[C@H]1CCCO1 ZINC000414757395 386402565 /nfs/dbraw/zinc/40/25/65/386402565.db2.gz LBTLKVJJSFVUNF-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000414757395 386402568 /nfs/dbraw/zinc/40/25/68/386402568.db2.gz LBTLKVJJSFVUNF-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO Cc1ccc(CCCN2CC[C@@H]([NH3+])[C@@H](C)C2)cn1 ZINC000339411218 386414818 /nfs/dbraw/zinc/41/48/18/386414818.db2.gz VYFLHTYLEAVAAC-SWLSCSKDSA-N 1 3 247.386 1.992 20 0 BDADHO O[C@H]1C[NH2+]C[C@H]1CNCCC1CCCCCC1 ZINC000414778186 386484744 /nfs/dbraw/zinc/48/47/44/386484744.db2.gz DYCWTNKQZYLULR-KGLIPLIRSA-N 1 3 240.391 1.517 20 0 BDADHO COc1cccc2c1CC[C@H](N[C@@H](C)[C@H](C)[NH3+])C2 ZINC000415011283 386487221 /nfs/dbraw/zinc/48/72/21/386487221.db2.gz HLQQOGSWCYKBFK-GVXVVHGQSA-N 1 3 248.370 1.878 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](CO)C(C)C ZINC000336756157 386493611 /nfs/dbraw/zinc/49/36/11/386493611.db2.gz IMROLRGHTGOAFA-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](CO)C(C)C ZINC000336756157 386493614 /nfs/dbraw/zinc/49/36/14/386493614.db2.gz IMROLRGHTGOAFA-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO C[C@@H](NCCCc1ccc2c(c1)CCO2)[C@H](C)[NH3+] ZINC000415015297 386501342 /nfs/dbraw/zinc/50/13/42/386501342.db2.gz MREPLYOMXRILAG-NWDGAFQWSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@H]1C[C@@H]1C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415051624 386508862 /nfs/dbraw/zinc/50/88/62/386508862.db2.gz MHCCEMFSEUEZBO-PMOUVXMZSA-N 1 3 230.355 1.988 20 0 BDADHO CCc1nc(CN[C@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000415044469 386529992 /nfs/dbraw/zinc/52/99/92/386529992.db2.gz SRPABBULEBVJLW-UWVGGRQHSA-N 1 3 239.388 1.923 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000331390307 386517272 /nfs/dbraw/zinc/51/72/72/386517272.db2.gz QAXJMZKRIGAFMH-RTXFEEFZSA-N 1 3 248.374 1.515 20 0 BDADHO C[C@@H]1OCC[C@@]1(C)NCC[C@H]1CCC[N@@H+]1C ZINC000336780227 386522250 /nfs/dbraw/zinc/52/22/50/386522250.db2.gz QPSFPMYUBBIAGJ-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1OCC[C@@]1(C)NCC[C@H]1CCC[N@H+]1C ZINC000336780227 386522255 /nfs/dbraw/zinc/52/22/55/386522255.db2.gz QPSFPMYUBBIAGJ-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045229 386532570 /nfs/dbraw/zinc/53/25/70/386532570.db2.gz TVBMMNIKWXGACI-JQWIXIFHSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCCC[C@H]1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415060936 386540477 /nfs/dbraw/zinc/54/04/77/386540477.db2.gz KKJBGZMUMHPFBV-JZRPKSSGSA-N 1 3 208.349 1.620 20 0 BDADHO C[N@H+](CCCC1CCCCC1)C[C@@H](O)CN ZINC000415063534 386544240 /nfs/dbraw/zinc/54/42/40/386544240.db2.gz AAMSISMLHMKEFM-ZDUSSCGKSA-N 1 3 228.380 1.598 20 0 BDADHO C[N@@H+](CCCC1CCCCC1)C[C@@H](O)CN ZINC000415063534 386544245 /nfs/dbraw/zinc/54/42/45/386544245.db2.gz AAMSISMLHMKEFM-ZDUSSCGKSA-N 1 3 228.380 1.598 20 0 BDADHO CN(CCCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000415063534 386544250 /nfs/dbraw/zinc/54/42/50/386544250.db2.gz AAMSISMLHMKEFM-ZDUSSCGKSA-N 1 3 228.380 1.598 20 0 BDADHO C[C@@H](CC1CCCCC1)CN(C)C[C@@H](O)C[NH3+] ZINC000415064445 386544381 /nfs/dbraw/zinc/54/43/81/386544381.db2.gz CNXNYCCVZWHIKI-JSGCOSHPSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)C(C)(C)C ZINC000336755910 386546628 /nfs/dbraw/zinc/54/66/28/386546628.db2.gz JAHHVDAQGWKQLE-NSHDSACASA-N 1 3 216.369 1.589 20 0 BDADHO C1CC1[C@@H]1CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415066571 386547478 /nfs/dbraw/zinc/54/74/78/386547478.db2.gz TWLHPCAYDZADDD-PDWCTOEPSA-N 1 3 220.360 1.763 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000308538039 386551398 /nfs/dbraw/zinc/55/13/98/386551398.db2.gz GSRJTRQJRYYWKB-VWYCJHECSA-N 1 3 200.326 1.128 20 0 BDADHO CCC(CC)(CCO)CNC[C@]1(C)CC[NH2+]C1 ZINC000415075954 386571138 /nfs/dbraw/zinc/57/11/38/386571138.db2.gz BWCREUGFZBLXBT-CYBMUJFWSA-N 1 3 242.407 1.764 20 0 BDADHO C[C@@H](N[C@@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497930 386624472 /nfs/dbraw/zinc/62/44/72/386624472.db2.gz AZYAWOANITWPRQ-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)C[C@H]([NH3+])CNCC1(CCO)CCCC1 ZINC000415085716 386604867 /nfs/dbraw/zinc/60/48/67/386604867.db2.gz RACMYYYYYSBHTH-ZDUSSCGKSA-N 1 3 242.407 1.892 20 0 BDADHO CCOC[C@@H](C)[NH2+]CC(N)(CC)CC ZINC000414804064 386605718 /nfs/dbraw/zinc/60/57/18/386605718.db2.gz DSOGBCYFPJNJBB-SNVBAGLBSA-N 1 3 202.342 1.519 20 0 BDADHO COC[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000336757580 386606613 /nfs/dbraw/zinc/60/66/13/386606613.db2.gz HWXLWLQDYRJBCU-NSHDSACASA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000336757579 386607452 /nfs/dbraw/zinc/60/74/52/386607452.db2.gz HWXLWLQDYRJBCU-LLVKDONJSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@]1(C(=O)Nc2ccc3c(c2)CNC3)CC[NH2+]C1 ZINC000335493415 386612993 /nfs/dbraw/zinc/61/29/93/386612993.db2.gz CREATDQMTLHHGW-CQSZACIVSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCNC1 ZINC000415107555 386616428 /nfs/dbraw/zinc/61/64/28/386616428.db2.gz JDQCPXYZEJAKBW-GXTWGEPZSA-N 1 3 233.359 1.744 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@@H](CC)COC ZINC000414816748 386659067 /nfs/dbraw/zinc/65/90/67/386659067.db2.gz QKMFIXLRIDDQGB-QWRGUYRKSA-N 1 3 202.342 1.519 20 0 BDADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000428120128 386662086 /nfs/dbraw/zinc/66/20/86/386662086.db2.gz JJYALWSVTMZAJC-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CN1CCC([NH2+][C@@H](CN)C2CCCCC2)CC1 ZINC000414830667 386709922 /nfs/dbraw/zinc/70/99/22/386709922.db2.gz BIVPOJOMBOCATH-AWEZNQCLSA-N 1 3 239.407 1.578 20 0 BDADHO CCN1CC[C@@H]([NH2+]CC2(N(C)C)CC2)[C@@H](C)C1 ZINC000417382462 386690161 /nfs/dbraw/zinc/69/01/61/386690161.db2.gz OAXFWBBCONEAQH-QWHCGFSZSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H]([NH2+]CC2(N(C)C)CC2)[C@H](C)C1 ZINC000417382460 386690316 /nfs/dbraw/zinc/69/03/16/386690316.db2.gz OAXFWBBCONEAQH-OLZOCXBDSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@]1(CNC[C@@H](N)c2ccccc2)CC[NH2+]C1 ZINC000414825777 386690388 /nfs/dbraw/zinc/69/03/88/386690388.db2.gz DBSGONJSFWGFBE-ZIAGYGMSSA-N 1 3 233.359 1.276 20 0 BDADHO C[C@H](CN)[NH2+]Cc1cccc2c1NCC2 ZINC000414928078 386706518 /nfs/dbraw/zinc/70/65/18/386706518.db2.gz LVNTUBWWHIKJPC-SECBINFHSA-N 1 3 205.305 1.091 20 0 BDADHO C1CC1[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335483604 386712714 /nfs/dbraw/zinc/71/27/14/386712714.db2.gz ORXWETOVCJOJFX-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO C[NH2+]CCNC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417781641 386715941 /nfs/dbraw/zinc/71/59/41/386715941.db2.gz KGORVZKPDQLYGJ-GFCCVEGCSA-N 1 3 249.358 1.048 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H](NCC[NH2+]C)C[C@H]1C ZINC000414832887 386719796 /nfs/dbraw/zinc/71/97/96/386719796.db2.gz RNRXQDSUONHDLU-IJLUTSLNSA-N 1 3 242.363 1.163 20 0 BDADHO CN(C)CCN(C)CCC[NH2+]CC(C)(C)C ZINC000623087835 386724151 /nfs/dbraw/zinc/72/41/51/386724151.db2.gz KRSWSBOGVORIET-UHFFFAOYSA-N 1 3 229.412 1.506 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCN2)CCO1 ZINC000414841325 386754544 /nfs/dbraw/zinc/75/45/44/386754544.db2.gz HTYMCSWZVSEQCP-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO Cc1ccc(CCC[NH2+]C[C@@H]2CCCNC2)cn1 ZINC000414844248 386762524 /nfs/dbraw/zinc/76/25/24/386762524.db2.gz CPFAFWLDJXBDID-HNNXBMFYSA-N 1 3 247.386 1.912 20 0 BDADHO Cc1ccc(CCCNC[C@@H]2CCC[NH2+]C2)cn1 ZINC000414844248 386762527 /nfs/dbraw/zinc/76/25/27/386762527.db2.gz CPFAFWLDJXBDID-HNNXBMFYSA-N 1 3 247.386 1.912 20 0 BDADHO CCc1ccccc1[C@@H](N)CNC(=O)C[C@@H](C)[NH3+] ZINC000417832318 386792679 /nfs/dbraw/zinc/79/26/79/386792679.db2.gz LFHDPVSXMCGGFO-MFKMUULPSA-N 1 3 249.358 1.102 20 0 BDADHO CCc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000647785615 386789301 /nfs/dbraw/zinc/78/93/01/386789301.db2.gz CFSVOVRYCWPIJI-NTZNESFSSA-N 1 3 249.358 1.715 20 0 BDADHO COC1CCC([NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000414846924 386821398 /nfs/dbraw/zinc/82/13/98/386821398.db2.gz FMBDTUCZTMSXQB-FEPKRQSRSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)[C@@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516883 386836376 /nfs/dbraw/zinc/83/63/76/386836376.db2.gz JZCFXZIJIQESCD-BFHYXJOUSA-N 1 3 242.407 1.904 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919587 386872760 /nfs/dbraw/zinc/87/27/60/386872760.db2.gz LFKHSYNDUJJOKI-IHRRRGAJSA-N 1 3 238.375 1.629 20 0 BDADHO COC[C@]1(C[NH2+][C@H]2CCCSC2)CCCN1 ZINC000414941887 386896331 /nfs/dbraw/zinc/89/63/31/386896331.db2.gz JNMHMOGLXRPLCO-NWDGAFQWSA-N 1 3 244.404 1.240 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000162187201 386946251 /nfs/dbraw/zinc/94/62/51/386946251.db2.gz CUHYHOOCBKVKES-MNOVXSKESA-N 1 3 235.331 1.265 20 0 BDADHO C[C@H]([NH2+]C1CCSCC1)[C@@H]1CCCNC1 ZINC000334875067 386936559 /nfs/dbraw/zinc/93/65/59/386936559.db2.gz RFHLISLQESGGFQ-WDEREUQCSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc2c(c1)CCO2 ZINC000216070055 387030572 /nfs/dbraw/zinc/03/05/72/387030572.db2.gz LBUWMSSAESGWPW-DGCLKSJQSA-N 1 3 246.354 1.791 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCC1(CO)CC2(CCC2)C1 ZINC000333328226 387028390 /nfs/dbraw/zinc/02/83/90/387028390.db2.gz VRYVJRMXTKUFJI-NWDGAFQWSA-N 1 3 238.375 1.399 20 0 BDADHO C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)CN1CCCC1 ZINC000336765721 387081277 /nfs/dbraw/zinc/08/12/77/387081277.db2.gz RKBDWUYFRGHQBB-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO Fc1ccc2c(c1)[C@H](N1C[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000359294108 387081879 /nfs/dbraw/zinc/08/18/79/387081879.db2.gz AYQVJTREQUWISS-LALPHHSUSA-N 1 3 246.329 1.964 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CN)C1(C(=O)OC)CCC1 ZINC000423299563 387130746 /nfs/dbraw/zinc/13/07/46/387130746.db2.gz BWRRIARKUKGBNB-MNOVXSKESA-N 1 3 242.363 1.293 20 0 BDADHO CC(C)[C@]1(C)C[C@@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000397243686 387110382 /nfs/dbraw/zinc/11/03/82/387110382.db2.gz SNWCORYAFJBABM-IHRRRGAJSA-N 1 3 240.391 1.466 20 0 BDADHO CC(C)[C@]1(C)C[C@@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000397243686 387110387 /nfs/dbraw/zinc/11/03/87/387110387.db2.gz SNWCORYAFJBABM-IHRRRGAJSA-N 1 3 240.391 1.466 20 0 BDADHO CC(C)(C)[C@H]1C[C@H]([NH2+]C2CCNCC2)CCO1 ZINC000335026345 387119147 /nfs/dbraw/zinc/11/91/47/387119147.db2.gz MOGAUUDWDIIJAZ-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@@H](CC)Cn1cncn1 ZINC000423299986 387132086 /nfs/dbraw/zinc/13/20/86/387132086.db2.gz QRAKFLKCVNZTLX-RYUDHWBXSA-N 1 3 239.367 1.164 20 0 BDADHO CN1CCC([NH2+][C@@H]2CCCCC[C@H]2N)CC1 ZINC000335029059 387122905 /nfs/dbraw/zinc/12/29/05/387122905.db2.gz LOUVCIXUTKASBM-CHWSQXEVSA-N 1 3 225.380 1.330 20 0 BDADHO CC(C)CO[C@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000423308727 387142705 /nfs/dbraw/zinc/14/27/05/387142705.db2.gz YETWKPJZENARCB-STQMWFEESA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)CO[C@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C ZINC000423308727 387142708 /nfs/dbraw/zinc/14/27/08/387142708.db2.gz YETWKPJZENARCB-STQMWFEESA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H](C)CN ZINC000423307193 387144469 /nfs/dbraw/zinc/14/44/69/387144469.db2.gz MWGKRMUKJHAUCD-RYUDHWBXSA-N 1 3 224.352 1.092 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423310249 387145183 /nfs/dbraw/zinc/14/51/83/387145183.db2.gz ROAQLYXUYJCQST-XJFOESAGSA-N 1 3 240.391 1.766 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423310575 387147053 /nfs/dbraw/zinc/14/70/53/387147053.db2.gz SAOSUZOAAIEFGC-KXNHARMFSA-N 1 3 226.364 1.374 20 0 BDADHO C[C@@H](CC(N)=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120022107 387147251 /nfs/dbraw/zinc/14/72/51/387147251.db2.gz MOHMDXLHPUYDPL-VIFPVBQESA-N 1 3 241.379 1.149 20 0 BDADHO C[C@@H](CC(N)=O)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000120022107 387147255 /nfs/dbraw/zinc/14/72/55/387147255.db2.gz MOHMDXLHPUYDPL-VIFPVBQESA-N 1 3 241.379 1.149 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)NCCC[NH+](C)C ZINC000120033599 387149685 /nfs/dbraw/zinc/14/96/85/387149685.db2.gz JRIALFOICPVADS-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H](C)C[NH3+])C12CCC2 ZINC000423318174 387159566 /nfs/dbraw/zinc/15/95/66/387159566.db2.gz CTYOPRYSXAKACQ-VWYCJHECSA-N 1 3 212.337 1.271 20 0 BDADHO CO[C@H](C)C[N@H+](C)CCCN1CCCCC1 ZINC000353254565 387166704 /nfs/dbraw/zinc/16/67/04/387166704.db2.gz ODIAPFYFGYYUMS-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CO[C@H](C)C[N@@H+](C)CCCN1CCCCC1 ZINC000353254565 387166707 /nfs/dbraw/zinc/16/67/07/387166707.db2.gz ODIAPFYFGYYUMS-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCCCOCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000229341094 387173237 /nfs/dbraw/zinc/17/32/37/387173237.db2.gz JUDBVFMRIZMLKY-STQMWFEESA-N 1 3 228.380 1.910 20 0 BDADHO C[C@@H]([NH2+]CC1CNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423332384 387179455 /nfs/dbraw/zinc/17/94/55/387179455.db2.gz VCBXIIUOLSCEBR-UGFHNGPFSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@@H](NCC1C[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423332384 387179463 /nfs/dbraw/zinc/17/94/63/387179463.db2.gz VCBXIIUOLSCEBR-UGFHNGPFSA-N 1 3 230.355 1.988 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)CCN(C)C1CC1 ZINC000186792256 387134518 /nfs/dbraw/zinc/13/45/18/387134518.db2.gz VZJMDYHMUYXWHB-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)CCN(C)C1CC1 ZINC000186792256 387134524 /nfs/dbraw/zinc/13/45/24/387134524.db2.gz VZJMDYHMUYXWHB-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CCCCOCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228986802 387135963 /nfs/dbraw/zinc/13/59/63/387135963.db2.gz ZVCAIADUJZJGST-STQMWFEESA-N 1 3 228.380 1.720 20 0 BDADHO CCN(C)CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423356532 387208092 /nfs/dbraw/zinc/20/80/92/387208092.db2.gz KDYRZJAABPCNED-LLVKDONJSA-N 1 3 249.358 1.388 20 0 BDADHO CO[C@@H](C)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336379561 387209243 /nfs/dbraw/zinc/20/92/43/387209243.db2.gz ULASZLQHLOSEJB-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@@H](C)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336379561 387209244 /nfs/dbraw/zinc/20/92/44/387209244.db2.gz ULASZLQHLOSEJB-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO NCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000643496825 387219347 /nfs/dbraw/zinc/21/93/47/387219347.db2.gz YDCYCULFBFZJCQ-AWEZNQCLSA-N 1 3 218.344 1.872 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423369410 387223509 /nfs/dbraw/zinc/22/35/09/387223509.db2.gz BXZRWJJVZZYZOD-XUXIUFHCSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1CCOC1 ZINC000423369519 387224139 /nfs/dbraw/zinc/22/41/39/387224139.db2.gz DZBKADVMYKGVKA-XQHKEYJVSA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423374351 387253765 /nfs/dbraw/zinc/25/37/65/387253765.db2.gz IHTONSIYTFQQKK-LNFKQOIKSA-N 1 3 200.326 1.269 20 0 BDADHO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)[C@H]1C[C@H]1C ZINC000423415826 387248155 /nfs/dbraw/zinc/24/81/55/387248155.db2.gz PMPUPTOYFXXADI-RFGFWPKPSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H](C)[NH3+] ZINC000423473765 387319160 /nfs/dbraw/zinc/31/91/60/387319160.db2.gz QVXJDTOPYYFKRQ-VSSNEEPJSA-N 1 3 224.348 1.269 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H](COC)C1CCCC1 ZINC000423467755 387314809 /nfs/dbraw/zinc/31/48/09/387314809.db2.gz OBBMOHYGLCGLAO-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423379777 387262061 /nfs/dbraw/zinc/26/20/61/387262061.db2.gz NFDBZERMYJTJLC-UKKRHICBSA-N 1 3 200.326 1.140 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423379777 387262063 /nfs/dbraw/zinc/26/20/63/387262063.db2.gz NFDBZERMYJTJLC-UKKRHICBSA-N 1 3 200.326 1.140 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C12CCC2 ZINC000423385801 387267534 /nfs/dbraw/zinc/26/75/34/387267534.db2.gz RBJMNDYRAIMFSC-FVCCEPFGSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C12CCC2 ZINC000423385801 387267538 /nfs/dbraw/zinc/26/75/38/387267538.db2.gz RBJMNDYRAIMFSC-FVCCEPFGSA-N 1 3 238.375 1.674 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423385216 387268777 /nfs/dbraw/zinc/26/87/77/387268777.db2.gz QQBNQVDZHPPKJD-WOPDTQHZSA-N 1 3 225.380 1.199 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](C)[C@H]1CCCOC1 ZINC000423384098 387268958 /nfs/dbraw/zinc/26/89/58/387268958.db2.gz PXDQNEMRPWLHCE-WOPDTQHZSA-N 1 3 214.353 1.389 20 0 BDADHO c1ccc(C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423433018 387283260 /nfs/dbraw/zinc/28/32/60/387283260.db2.gz MSGDFTJNJMDFMQ-QXSJWSMHSA-N 1 3 242.366 1.815 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H](C)[NH3+])C12CCC2 ZINC000423440328 387291297 /nfs/dbraw/zinc/29/12/97/387291297.db2.gz IOFJPTPXTOQYQS-WISYIIOYSA-N 1 3 226.364 1.659 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)[C@H](C)[NH3+])C[C@H]1OC ZINC000423442801 387291983 /nfs/dbraw/zinc/29/19/83/387291983.db2.gz KBKWNZFNMBBXEF-IRCOFANPSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@H](CCC[NH3+])N[C@@H](C)c1ccncc1F ZINC000423443381 387292973 /nfs/dbraw/zinc/29/29/73/387292973.db2.gz AIYNCXVPCQCNEV-ZJUUUORDSA-N 1 3 225.311 1.999 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1NCCc2ccccc21 ZINC000423443322 387293088 /nfs/dbraw/zinc/29/30/88/387293088.db2.gz WYNSXBLWKGHEFA-ILXRZTDVSA-N 1 3 245.370 1.343 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccncc1 ZINC000423459801 387308632 /nfs/dbraw/zinc/30/86/32/387308632.db2.gz IKAXYTNULFOKIK-NHCYSSNCSA-N 1 3 207.321 1.858 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000514931723 387308703 /nfs/dbraw/zinc/30/87/03/387308703.db2.gz VXNUGPGBQLNVCL-VWYCJHECSA-N 1 3 247.333 1.233 20 0 BDADHO CC[C@H]([NH2+]CCCNC1CC1)[C@H]1CCOC1 ZINC000423528003 387354910 /nfs/dbraw/zinc/35/49/10/387354910.db2.gz NHFYFNZTDGJXCB-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423527390 387356134 /nfs/dbraw/zinc/35/61/34/387356134.db2.gz MGOLYCMTPQGMOS-FZMZJTMJSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CN1C1CC1 ZINC000643501583 387356914 /nfs/dbraw/zinc/35/69/14/387356914.db2.gz LLYREGGCYPXKEL-JHJVBQTASA-N 1 3 237.391 1.343 20 0 BDADHO CC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423539798 387365618 /nfs/dbraw/zinc/36/56/18/387365618.db2.gz CAZGEHULCRETRO-IRCOFANPSA-N 1 3 214.353 1.374 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000515338117 387366794 /nfs/dbraw/zinc/36/67/94/387366794.db2.gz WSSVUGFKEOXFAY-ZDUSSCGKSA-N 1 3 244.342 1.699 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000373430794 387367367 /nfs/dbraw/zinc/36/73/67/387367367.db2.gz ILYKGJVBOSRWDI-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000373430794 387367368 /nfs/dbraw/zinc/36/73/68/387367368.db2.gz ILYKGJVBOSRWDI-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO Cc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])cc(C)n1 ZINC000423561315 387374418 /nfs/dbraw/zinc/37/44/18/387374418.db2.gz VSFZWIWJQAWKMK-KGLIPLIRSA-N 1 3 233.359 1.915 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H](C)CC[NH+](C)C)OC ZINC000648659529 387379881 /nfs/dbraw/zinc/37/98/81/387379881.db2.gz SRCJTMMARXDSGP-XQQFMLRXSA-N 1 3 230.396 1.977 20 0 BDADHO C[C@@H](N[C@H]1CNCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474862 387321246 /nfs/dbraw/zinc/32/12/46/387321246.db2.gz HTRDWWIACRSSGL-MXWKQRLJSA-N 1 3 247.333 1.104 20 0 BDADHO CCC1CC([NH2+]C[C@H]2CNCCCO2)C1 ZINC000423485222 387331355 /nfs/dbraw/zinc/33/13/55/387331355.db2.gz AVAFAIWIQPVQBV-HTAVTVPLSA-N 1 3 212.337 1.143 20 0 BDADHO CCC1CC(NC[C@H]2C[NH2+]CCCO2)C1 ZINC000423485222 387331357 /nfs/dbraw/zinc/33/13/57/387331357.db2.gz AVAFAIWIQPVQBV-HTAVTVPLSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@@H]2CCSC2)C[NH2+]1 ZINC000306573032 387426603 /nfs/dbraw/zinc/42/66/03/387426603.db2.gz HXUZDOPKTPJPAP-OUAUKWLOSA-N 1 3 214.378 1.470 20 0 BDADHO CC[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N(CC)CC ZINC000423981005 387461650 /nfs/dbraw/zinc/46/16/50/387461650.db2.gz UPXBHZLMYCQKFE-SRVKXCTJSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CCO1 ZINC000515870081 387439934 /nfs/dbraw/zinc/43/99/34/387439934.db2.gz RBSNISWNQOXALV-WUHRBBMRSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C1CNC1 ZINC000643466610 387389707 /nfs/dbraw/zinc/38/97/07/387389707.db2.gz HGJVITDEWVOAGB-YPMHNXCESA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000040622689 387498840 /nfs/dbraw/zinc/49/88/40/387498840.db2.gz GNJURWCLBHNZLO-GFCCVEGCSA-N 1 3 226.364 1.485 20 0 BDADHO CC1(C)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CO1 ZINC000396841609 387500997 /nfs/dbraw/zinc/50/09/97/387500997.db2.gz HXGYJXVASMDDFT-FRRDWIJNSA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CO1 ZINC000396841609 387501002 /nfs/dbraw/zinc/50/10/02/387501002.db2.gz HXGYJXVASMDDFT-FRRDWIJNSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475460 387509419 /nfs/dbraw/zinc/50/94/19/387509419.db2.gz UZMNUYFYVLDVTQ-MWWBDVBNSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H](CC1CCOCC1)NCC[NH2+]C1CC1 ZINC000643505825 387463967 /nfs/dbraw/zinc/46/39/67/387463967.db2.gz AOEAHSSRQQGUSA-NSHDSACASA-N 1 3 226.364 1.533 20 0 BDADHO CCc1ccc(CNCC2=CC[N@H+](C)CC2)cn1 ZINC000352739323 387466341 /nfs/dbraw/zinc/46/63/41/387466341.db2.gz XTZPYINQRAMOTF-UHFFFAOYSA-N 1 3 245.370 1.996 20 0 BDADHO CCc1ccc(CNCC2=CC[N@@H+](C)CC2)cn1 ZINC000352739323 387466346 /nfs/dbraw/zinc/46/63/46/387466346.db2.gz XTZPYINQRAMOTF-UHFFFAOYSA-N 1 3 245.370 1.996 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000352766354 387468626 /nfs/dbraw/zinc/46/86/26/387468626.db2.gz WICHDASYENUEMI-CYBMUJFWSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@H](C(=O)NC(C)(C)CC[NH3+])N(CC)CC ZINC000424048296 387469915 /nfs/dbraw/zinc/46/99/15/387469915.db2.gz QNSBWXMOQBLIGR-LLVKDONJSA-N 1 3 243.395 1.350 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000395838593 387478070 /nfs/dbraw/zinc/47/80/70/387478070.db2.gz MHIFUFDTMUXGID-NEPJUHHUSA-N 1 3 226.364 1.256 20 0 BDADHO CC[C@@H](C)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000304496331 387487681 /nfs/dbraw/zinc/48/76/81/387487681.db2.gz CERHYWJVOMMFPP-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@@H]1CCC[NH2+]CC1 ZINC000643473921 387489280 /nfs/dbraw/zinc/48/92/80/387489280.db2.gz QUSSADBSLSUSRZ-DGCLKSJQSA-N 1 3 222.332 1.942 20 0 BDADHO Cc1ccc([C@H](C)NC[C@@H](C)C[NH3+])c(C)n1 ZINC000643514825 387599731 /nfs/dbraw/zinc/59/97/31/387599731.db2.gz MEBZVPDWZPUKSK-ONGXEEELSA-N 1 3 221.348 1.944 20 0 BDADHO CCOC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422638736 387610926 /nfs/dbraw/zinc/61/09/26/387610926.db2.gz RHAQRPIDVSTSQP-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@@H](O)CC[N@H+](C)CC[C@@H]1CCCN1C ZINC000305651443 387623398 /nfs/dbraw/zinc/62/33/98/387623398.db2.gz CDFYVSCOOLYWIO-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)CC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000305651443 387623403 /nfs/dbraw/zinc/62/34/03/387623403.db2.gz CDFYVSCOOLYWIO-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422708543 387623421 /nfs/dbraw/zinc/62/34/21/387623421.db2.gz JBRPMMDMTHMPFX-UONOGXRCSA-N 1 3 241.423 1.968 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCC[C@@H]1N ZINC000422708263 387623729 /nfs/dbraw/zinc/62/37/29/387623729.db2.gz ISTVTSITBPASTD-RYUDHWBXSA-N 1 3 213.369 1.188 20 0 BDADHO C[C@@H](CCc1ccco1)NC[C@H]([NH3+])C1CC1 ZINC000643516432 387623972 /nfs/dbraw/zinc/62/39/72/387623972.db2.gz CPBIAUGMYNHOJK-GWCFXTLKSA-N 1 3 222.332 1.928 20 0 BDADHO C[C@H](O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000305661117 387624511 /nfs/dbraw/zinc/62/45/11/387624511.db2.gz XYTBPAGTCRULQY-GXTWGEPZSA-N 1 3 240.391 1.564 20 0 BDADHO CCCCN(C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422712485 387626216 /nfs/dbraw/zinc/62/62/16/387626216.db2.gz OHIRKFQXEDKTNB-RYUDHWBXSA-N 1 3 215.385 1.434 20 0 BDADHO C[C@H](NC[C@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000397181236 387550505 /nfs/dbraw/zinc/55/05/05/387550505.db2.gz JBUORPYCKOUSRI-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037648930 387564961 /nfs/dbraw/zinc/56/49/61/387564961.db2.gz XGENSPMQPNYQJL-GFCCVEGCSA-N 1 3 248.374 1.600 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422730620 387639269 /nfs/dbraw/zinc/63/92/69/387639269.db2.gz MIEDPHMQKXWFHR-VXGBXAGGSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc2c(c1)CCO2 ZINC000422730620 387639271 /nfs/dbraw/zinc/63/92/71/387639271.db2.gz MIEDPHMQKXWFHR-VXGBXAGGSA-N 1 3 248.370 1.879 20 0 BDADHO CC[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCN1 ZINC000422734763 387642581 /nfs/dbraw/zinc/64/25/81/387642581.db2.gz TZDFVYZHTYLENV-KGLIPLIRSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)Cc1ccccc1 ZINC000422736239 387642833 /nfs/dbraw/zinc/64/28/33/387642833.db2.gz FZZJUDFXOWLTGS-SOUVJXGZSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422736239 387642838 /nfs/dbraw/zinc/64/28/38/387642838.db2.gz FZZJUDFXOWLTGS-SOUVJXGZSA-N 1 3 248.370 1.307 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccccn1 ZINC000422736946 387646183 /nfs/dbraw/zinc/64/61/83/387646183.db2.gz YWRRYOJZUPTEPW-GXTWGEPZSA-N 1 3 233.359 1.602 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422744863 387647980 /nfs/dbraw/zinc/64/79/80/387647980.db2.gz KYLVGYQWAXSRGO-OLZOCXBDSA-N 1 3 227.396 1.578 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(CO)c1 ZINC000422747806 387651230 /nfs/dbraw/zinc/65/12/30/387651230.db2.gz ZLPLMWVSFKFEHA-IUODEOHRSA-N 1 3 248.370 1.657 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccccc1 ZINC000422750166 387655040 /nfs/dbraw/zinc/65/50/40/387655040.db2.gz CHYNOLWQAVYKMQ-RYUDHWBXSA-N 1 3 222.332 1.781 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCn1ccnc1 ZINC000422757799 387661050 /nfs/dbraw/zinc/66/10/50/387661050.db2.gz MYPRTUPMORXVRX-RYUDHWBXSA-N 1 3 222.336 1.133 20 0 BDADHO CC(C)[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422760684 387664142 /nfs/dbraw/zinc/66/41/42/387664142.db2.gz GYVKNACAFRDWLL-FDYHWXHSSA-N 1 3 228.380 1.620 20 0 BDADHO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2N)ccc1C ZINC000422768950 387668143 /nfs/dbraw/zinc/66/81/43/387668143.db2.gz VDTNENDRTAHMOC-QWHCGFSZSA-N 1 3 234.343 1.973 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422773242 387671439 /nfs/dbraw/zinc/67/14/39/387671439.db2.gz ZNFFDQKSURHMMS-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]([NH3+])CCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000422776578 387676088 /nfs/dbraw/zinc/67/60/88/387676088.db2.gz DADGQRHUHCIBCB-PWSUYJOCSA-N 1 3 241.379 1.138 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000422782856 387680285 /nfs/dbraw/zinc/68/02/85/387680285.db2.gz NLNMAKKDKXKYQW-MROQNXINSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000422783239 387683373 /nfs/dbraw/zinc/68/33/73/387683373.db2.gz NWSCSZMDDAZADP-YYHQMBLXSA-N 1 3 240.391 1.905 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2N)CCN1C ZINC000422784072 387684437 /nfs/dbraw/zinc/68/44/37/387684437.db2.gz PFYHGSQHOQRGNX-AAVRWANBSA-N 1 3 239.407 1.719 20 0 BDADHO CC(C)CCOCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422786822 387686570 /nfs/dbraw/zinc/68/65/70/387686570.db2.gz SYMOKIQIKZLDAU-NEPJUHHUSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)N(C)C1CC1 ZINC000422743905 387691118 /nfs/dbraw/zinc/69/11/18/387691118.db2.gz SDDZISNOVSUJHI-MRVWCRGKSA-N 1 3 239.407 1.719 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000422861528 387744981 /nfs/dbraw/zinc/74/49/81/387744981.db2.gz OIYBONWSBPBFDO-MRVWCRGKSA-N 1 3 237.391 1.473 20 0 BDADHO Cc1ccc(OCCCN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422865071 387747762 /nfs/dbraw/zinc/74/77/62/387747762.db2.gz XAZDVQYHQBXRKC-ZDUSSCGKSA-N 1 3 248.370 1.961 20 0 BDADHO Cc1ccc(OCCC[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422865071 387747767 /nfs/dbraw/zinc/74/77/67/387747767.db2.gz XAZDVQYHQBXRKC-ZDUSSCGKSA-N 1 3 248.370 1.961 20 0 BDADHO C[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CCCNCC1 ZINC000422899161 387749250 /nfs/dbraw/zinc/74/92/50/387749250.db2.gz GVSNLMOBLCZDRF-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1CCc2ccccc2C1 ZINC000643526185 387750269 /nfs/dbraw/zinc/75/02/69/387750269.db2.gz SERSRVNBLGIYGY-GXFFZTMASA-N 1 3 204.317 1.481 20 0 BDADHO C[C@H](N[C@H]1CCCC[C@@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805108 387702020 /nfs/dbraw/zinc/70/20/20/387702020.db2.gz GGMNNLXWUVJLDL-UBHSHLNASA-N 1 3 248.374 1.564 20 0 BDADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)C1CNC1 ZINC000422805108 387702025 /nfs/dbraw/zinc/70/20/25/387702025.db2.gz GGMNNLXWUVJLDL-UBHSHLNASA-N 1 3 248.374 1.564 20 0 BDADHO CO[C@H](CN[C@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806312 387706152 /nfs/dbraw/zinc/70/61/52/387706152.db2.gz HXZHHNAMTWPABU-MWLCHTKSSA-N 1 3 214.353 1.245 20 0 BDADHO CO[C@H](C[NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000422806312 387706158 /nfs/dbraw/zinc/70/61/58/387706158.db2.gz HXZHHNAMTWPABU-MWLCHTKSSA-N 1 3 214.353 1.245 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C(C)(C)C ZINC000422809356 387708448 /nfs/dbraw/zinc/70/84/48/387708448.db2.gz MCHPEJRABPPMAC-GRYCIOLGSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)C[C@H](C)N ZINC000422813624 387712477 /nfs/dbraw/zinc/71/24/77/387712477.db2.gz YHCPUBMYVBPSNS-AVGNSLFASA-N 1 3 230.396 1.747 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1cn2ccccc2n1 ZINC000422816489 387713783 /nfs/dbraw/zinc/71/37/83/387713783.db2.gz FLKQPFTUKVKAEQ-CHWSQXEVSA-N 1 3 244.342 1.346 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790428 387715055 /nfs/dbraw/zinc/71/50/55/387715055.db2.gz OGEZLYQZONGGLN-DKNRTOFZSA-N 1 3 236.359 1.382 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C12CC(C1)CO2 ZINC000527790428 387715058 /nfs/dbraw/zinc/71/50/58/387715058.db2.gz OGEZLYQZONGGLN-DKNRTOFZSA-N 1 3 236.359 1.382 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCOC1CCCC1 ZINC000422823916 387721119 /nfs/dbraw/zinc/72/11/19/387721119.db2.gz FKXMLVKAISEMEJ-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO CCN(CC)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127703014 387722228 /nfs/dbraw/zinc/72/22/28/387722228.db2.gz ADOQIVYVOHPQBD-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO CCN(CC)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127703014 387722233 /nfs/dbraw/zinc/72/22/33/387722233.db2.gz ADOQIVYVOHPQBD-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1cccnc1 ZINC000422830041 387723285 /nfs/dbraw/zinc/72/32/85/387723285.db2.gz QPJDILKVZPUTLE-TZMCWYRMSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1cccnc1 ZINC000422830041 387723293 /nfs/dbraw/zinc/72/32/93/387723293.db2.gz QPJDILKVZPUTLE-TZMCWYRMSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccncc1 ZINC000422832820 387726680 /nfs/dbraw/zinc/72/66/80/387726680.db2.gz GDSSAGYDJFEBHU-SRVKXCTJSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000422832820 387726684 /nfs/dbraw/zinc/72/66/84/387726684.db2.gz GDSSAGYDJFEBHU-SRVKXCTJSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@@H](CN1CCCCC1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422836697 387729614 /nfs/dbraw/zinc/72/96/14/387729614.db2.gz RSVWBQZQMZQGIB-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](NCCc1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000422841243 387731222 /nfs/dbraw/zinc/73/12/22/387731222.db2.gz CSKFCVFODKMTQN-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)C1CNC1 ZINC000422841243 387731229 /nfs/dbraw/zinc/73/12/29/387731229.db2.gz CSKFCVFODKMTQN-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO CC(C)([NH3+])CNC(=O)[C@H](N)CC1CCCCC1 ZINC000422878992 387755829 /nfs/dbraw/zinc/75/58/29/387755829.db2.gz JWIQRGCPNZSAGD-LLVKDONJSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851722 387738238 /nfs/dbraw/zinc/73/82/38/387738238.db2.gz FVBVFBWYTGCGIB-AGIUHOORSA-N 1 3 237.391 1.343 20 0 BDADHO CC(C)[C@@H]([NH2+]C[C@H](C)N)c1cccnc1 ZINC000643528653 387769834 /nfs/dbraw/zinc/76/98/34/387769834.db2.gz MOIVNLDIDXREIM-CMPLNLGQSA-N 1 3 207.321 1.716 20 0 BDADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)N)CC2 ZINC000643528416 387770687 /nfs/dbraw/zinc/77/06/87/387770687.db2.gz IZUMROXADHZHLH-NOZJJQNGSA-N 1 3 220.316 1.619 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422912039 387771025 /nfs/dbraw/zinc/77/10/25/387771025.db2.gz VABUOIXBAKLJSJ-MELADBBJSA-N 1 3 241.423 1.966 20 0 BDADHO CN(C)c1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422914884 387771066 /nfs/dbraw/zinc/77/10/66/387771066.db2.gz WJEUXSUXJTZMJJ-OCCSQVGLSA-N 1 3 247.386 1.970 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000422920230 387775398 /nfs/dbraw/zinc/77/53/98/387775398.db2.gz LZCYFABOSPRDJU-MXWKQRLJSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCSC1 ZINC000422920230 387775402 /nfs/dbraw/zinc/77/54/02/387775402.db2.gz LZCYFABOSPRDJU-MXWKQRLJSA-N 1 3 214.378 1.470 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](C)CCCCO ZINC000643529753 387776337 /nfs/dbraw/zinc/77/63/37/387776337.db2.gz BFJPJZRIACVNIL-GHMZBOCLSA-N 1 3 202.342 1.125 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H](OC)C1 ZINC000643530006 387780782 /nfs/dbraw/zinc/78/07/82/387780782.db2.gz WRMOCQCJTSDZHK-UTUOFQBUSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000422900939 387784847 /nfs/dbraw/zinc/78/48/47/387784847.db2.gz KJUYHTWXNQQSSY-FIQHERPVSA-N 1 3 214.353 1.659 20 0 BDADHO CCN(C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132089776 387787155 /nfs/dbraw/zinc/78/71/55/387787155.db2.gz WWZYGKBGEIAKAZ-KBPBESRZSA-N 1 3 233.359 1.673 20 0 BDADHO C[C@@H](NC[C@@H]1CCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000422901523 387787515 /nfs/dbraw/zinc/78/75/15/387787515.db2.gz LFZCXGQSDWFIDM-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)CC[C@](C)(O)CN[C@H](C)C1C[NH2+]C1 ZINC000422977045 387789849 /nfs/dbraw/zinc/78/98/49/387789849.db2.gz JHJBSSPRLJYKCN-YPMHNXCESA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)C1CNC1 ZINC000422977045 387789852 /nfs/dbraw/zinc/78/98/52/387789852.db2.gz JHJBSSPRLJYKCN-YPMHNXCESA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCSCCCO ZINC000422981246 387791540 /nfs/dbraw/zinc/79/15/40/387791540.db2.gz SJNBOTRAXCGDLB-RYUDHWBXSA-N 1 3 246.420 1.080 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCSCCCO ZINC000422981246 387791542 /nfs/dbraw/zinc/79/15/42/387791542.db2.gz SJNBOTRAXCGDLB-RYUDHWBXSA-N 1 3 246.420 1.080 20 0 BDADHO CC(C)[C@@](C)(O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422982577 387793308 /nfs/dbraw/zinc/79/33/08/387793308.db2.gz WYVABTCBTSRCBW-HNGCFSAESA-N 1 3 226.364 1.266 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](CO)c1ccccc1 ZINC000422990081 387800401 /nfs/dbraw/zinc/80/04/01/387800401.db2.gz BMLJZXDLNDJQGA-OBJOEFQTSA-N 1 3 236.359 1.478 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000422990081 387800403 /nfs/dbraw/zinc/80/04/03/387800403.db2.gz BMLJZXDLNDJQGA-OBJOEFQTSA-N 1 3 236.359 1.478 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422992077 387800462 /nfs/dbraw/zinc/80/04/62/387800462.db2.gz QQONRAFHMUEMQC-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ncccc1F ZINC000422992978 387800738 /nfs/dbraw/zinc/80/07/38/387800738.db2.gz DQWARZQNWQHSEY-UWVGGRQHSA-N 1 3 241.310 1.315 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCc2ccccc2C1)C1CNC1 ZINC000643477989 387801360 /nfs/dbraw/zinc/80/13/60/387801360.db2.gz MLBORIVJNGEIEH-OLZOCXBDSA-N 1 3 244.382 1.989 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2ccccn2)C1 ZINC000422963910 387813324 /nfs/dbraw/zinc/81/33/24/387813324.db2.gz HGAXUTAZLNPZHX-XQQFMLRXSA-N 1 3 248.374 1.376 20 0 BDADHO COc1cccc(C[C@@H](C)N[C@H](C)C2C[NH2+]C2)c1 ZINC000422952230 387806618 /nfs/dbraw/zinc/80/66/18/387806618.db2.gz AMKXEKHINKBETA-VXGBXAGGSA-N 1 3 248.370 1.824 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+][C@H](C)C2CNC2)c1 ZINC000422952230 387806621 /nfs/dbraw/zinc/80/66/21/387806621.db2.gz AMKXEKHINKBETA-VXGBXAGGSA-N 1 3 248.370 1.824 20 0 BDADHO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000423001879 387808196 /nfs/dbraw/zinc/80/81/96/387808196.db2.gz ITJXQEKOMDPROM-KBPBESRZSA-N 1 3 234.343 1.973 20 0 BDADHO CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@@H](C)N ZINC000422954871 387809319 /nfs/dbraw/zinc/80/93/19/387809319.db2.gz IIIQXQVPTLQZHI-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882299 387758207 /nfs/dbraw/zinc/75/82/07/387758207.db2.gz ZWPKZVNPPSAFJH-NWGXIFETSA-N 1 3 249.402 1.342 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C1(CC)CC ZINC000643526636 387758910 /nfs/dbraw/zinc/75/89/10/387758910.db2.gz CQVIHYBTMKDOHI-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000643527049 387761192 /nfs/dbraw/zinc/76/11/92/387761192.db2.gz CGFGHOLDIPYJPE-KCQAQPDRSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000643527049 387761198 /nfs/dbraw/zinc/76/11/98/387761198.db2.gz CGFGHOLDIPYJPE-KCQAQPDRSA-N 1 3 247.386 1.586 20 0 BDADHO CC[C@H]([NH2+]CCOCCN(C)C)[C@@H]1C[C@H]1C ZINC000322060094 387872967 /nfs/dbraw/zinc/87/29/67/387872967.db2.gz QWEJEBMYHBZSNW-UPJWGTAASA-N 1 3 228.380 1.589 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422973658 387823521 /nfs/dbraw/zinc/82/35/21/387823521.db2.gz PFAWALWHMUAVDR-VHSXEESVSA-N 1 3 200.326 1.007 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422973656 387824455 /nfs/dbraw/zinc/82/44/55/387824455.db2.gz PFAWALWHMUAVDR-NXEZZACHSA-N 1 3 200.326 1.007 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567110352 387824778 /nfs/dbraw/zinc/82/47/78/387824778.db2.gz AEODSVSDQFAYOH-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567110352 387824781 /nfs/dbraw/zinc/82/47/81/387824781.db2.gz AEODSVSDQFAYOH-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567110350 387825096 /nfs/dbraw/zinc/82/50/96/387825096.db2.gz AEODSVSDQFAYOH-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567110350 387825098 /nfs/dbraw/zinc/82/50/98/387825098.db2.gz AEODSVSDQFAYOH-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CCC[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423007523 387829890 /nfs/dbraw/zinc/82/98/90/387829890.db2.gz QUBBOKFUKCPODU-YNEHKIRRSA-N 1 3 228.380 1.373 20 0 BDADHO CC(C)CSCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423009106 387831579 /nfs/dbraw/zinc/83/15/79/387831579.db2.gz CEUZBCLYSTXSCN-QWRGUYRKSA-N 1 3 216.394 1.845 20 0 BDADHO COC[C@@H](C)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423014011 387835111 /nfs/dbraw/zinc/83/51/11/387835111.db2.gz HHTNNGLKCPWQDP-YNEHKIRRSA-N 1 3 228.380 1.922 20 0 BDADHO Cc1cncc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423016264 387838078 /nfs/dbraw/zinc/83/80/78/387838078.db2.gz SOPLCXITTMVFRR-OLZOCXBDSA-N 1 3 219.332 1.607 20 0 BDADHO C[C@H]([NH2+]CC1(C)Cc2ccccc2C1)C1CNC1 ZINC000423015834 387838107 /nfs/dbraw/zinc/83/81/07/387838107.db2.gz LJCYHHXWHZJZMH-LBPRGKRZSA-N 1 3 244.382 1.989 20 0 BDADHO CCOC1CC(CC[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423075654 387874169 /nfs/dbraw/zinc/87/41/69/387874169.db2.gz XINXIGMGFRDVIR-HHTDUIENSA-N 1 3 240.391 1.909 20 0 BDADHO COC1CCC(CC[NH2+][C@H](C)C2CNC2)CC1 ZINC000423042460 387855648 /nfs/dbraw/zinc/85/56/48/387855648.db2.gz ZHMCUEIMCOEXQZ-LKSINWNRSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423043318 387855719 /nfs/dbraw/zinc/85/57/19/387855719.db2.gz OIQFHGDNZXPCNK-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H](CO)Cc1ccccc1 ZINC000423047505 387858508 /nfs/dbraw/zinc/85/85/08/387858508.db2.gz GGZRUESVYYMBOJ-YRGRVCCFSA-N 1 3 236.359 1.305 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051820 387859848 /nfs/dbraw/zinc/85/98/48/387859848.db2.gz OEBRJGXECZBKHZ-STQMWFEESA-N 1 3 240.391 1.517 20 0 BDADHO CSCCCCC[NH2+][C@H](C)C1CNC1 ZINC000423052261 387861062 /nfs/dbraw/zinc/86/10/62/387861062.db2.gz PJQNMCAHBDELAC-SNVBAGLBSA-N 1 3 216.394 1.717 20 0 BDADHO CC(C)O[C@H]1C[C@H]([NH2+]C2CCNCC2)C1(C)C ZINC000423053979 387861937 /nfs/dbraw/zinc/86/19/37/387861937.db2.gz TZCVTJZCWPPDLH-STQMWFEESA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@H]1C[C@H](NC2CC[NH2+]CC2)C1(C)C ZINC000423053979 387861939 /nfs/dbraw/zinc/86/19/39/387861939.db2.gz TZCVTJZCWPPDLH-STQMWFEESA-N 1 3 240.391 1.920 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCC1(CO)CCCC1 ZINC000423054167 387862256 /nfs/dbraw/zinc/86/22/56/387862256.db2.gz UACXRYIBCAFPIW-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)O ZINC000423064115 387867904 /nfs/dbraw/zinc/86/79/04/387867904.db2.gz QLWBGTGPLRCGTC-QWRGUYRKSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCC(C)(C)O ZINC000423064115 387867907 /nfs/dbraw/zinc/86/79/07/387867907.db2.gz QLWBGTGPLRCGTC-QWRGUYRKSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOC(F)(F)F ZINC000423067918 387869303 /nfs/dbraw/zinc/86/93/03/387869303.db2.gz ISWUYWOLHPJKOT-IUCAKERBSA-N 1 3 240.269 1.501 20 0 BDADHO CC1(C)[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1O ZINC000423066162 387870078 /nfs/dbraw/zinc/87/00/78/387870078.db2.gz WFBXNLWWRQGKNF-RTWBTXMESA-N 1 3 224.348 1.018 20 0 BDADHO C[C@H](NC[C@H]1CC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423070666 387871134 /nfs/dbraw/zinc/87/11/34/387871134.db2.gz NJMXNJXKCAJSPR-CYDGBPFRSA-N 1 3 226.364 1.268 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1 ZINC000423069040 387872663 /nfs/dbraw/zinc/87/26/63/387872663.db2.gz LIABQFNUOBZGQH-ZRUFSTJUSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)CO ZINC000422966452 387816936 /nfs/dbraw/zinc/81/69/36/387816936.db2.gz ACBVTKIODDVOTQ-OUCADQQQSA-N 1 3 236.359 1.163 20 0 BDADHO C[C@H]([NH3+])CN[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000442667188 387819416 /nfs/dbraw/zinc/81/94/16/387819416.db2.gz VUUQCSVWFATPPV-NTZNESFSSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CC=CCC1 ZINC000423106244 387892165 /nfs/dbraw/zinc/89/21/65/387892165.db2.gz ZLHXKHAPJRRQPY-KGLIPLIRSA-N 1 3 237.391 1.226 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H]1C ZINC000423109261 387892455 /nfs/dbraw/zinc/89/24/55/387892455.db2.gz URSSJXMGGNYMNO-HPCHECBXSA-N 1 3 240.391 1.765 20 0 BDADHO COCC[C@H]([NH2+]C1CCNCC1)C(C)(C)C ZINC000423114150 387896377 /nfs/dbraw/zinc/89/63/77/387896377.db2.gz LOOBQCWXVBJGCZ-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCC2CC(O)C2)c2ccccc21 ZINC000423078415 387875909 /nfs/dbraw/zinc/87/59/09/387875909.db2.gz VZZPAAKLNQNSRF-FBDPFYNOSA-N 1 3 246.354 1.882 20 0 BDADHO CO[C@H](CC[NH2+][C@H](C)C[C@H](C)N)C(F)(F)F ZINC000423076594 387876822 /nfs/dbraw/zinc/87/68/22/387876822.db2.gz ZJBXFETUMAQFDP-DJLDLDEBSA-N 1 3 242.285 1.669 20 0 BDADHO CC[C@@H](NC[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084805 387879506 /nfs/dbraw/zinc/87/95/06/387879506.db2.gz IZCZVYVLYZQVSZ-TUAOUCFPSA-N 1 3 228.405 1.860 20 0 BDADHO CSC1(C[NH2+][C@H](C)C2CNC2)CCC1 ZINC000423091909 387883334 /nfs/dbraw/zinc/88/33/34/387883334.db2.gz ZOPAEUZZNZUVIQ-SECBINFHSA-N 1 3 214.378 1.470 20 0 BDADHO CSC1(CN[C@H](C)C2C[NH2+]C2)CCC1 ZINC000423091909 387883337 /nfs/dbraw/zinc/88/33/37/387883337.db2.gz ZOPAEUZZNZUVIQ-SECBINFHSA-N 1 3 214.378 1.470 20 0 BDADHO CC(C)(C)CC[C@H](CO)N[C@@H]1CCC[NH2+]CC1 ZINC000423098252 387887829 /nfs/dbraw/zinc/88/78/29/387887829.db2.gz RVITVZQOCQDMEN-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CCCNCC1 ZINC000423098252 387887833 /nfs/dbraw/zinc/88/78/33/387887833.db2.gz RVITVZQOCQDMEN-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO FC(F)O[C@@H]1CCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000423103472 387888984 /nfs/dbraw/zinc/88/89/84/387888984.db2.gz ARIKBGSYANTICY-HBNTYKKESA-N 1 3 248.317 1.878 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1CCCOC1 ZINC000423119490 387901465 /nfs/dbraw/zinc/90/14/65/387901465.db2.gz CODPDARBERRPKO-GRYCIOLGSA-N 1 3 212.337 1.415 20 0 BDADHO CO[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])C1CC1 ZINC000423126075 387905005 /nfs/dbraw/zinc/90/50/05/387905005.db2.gz APFCDQNFECNUPZ-JHJVBQTASA-N 1 3 226.364 1.661 20 0 BDADHO CCOCC(C)(C)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423128048 387905908 /nfs/dbraw/zinc/90/59/08/387905908.db2.gz UTPDVFHAWRUFJH-VXGBXAGGSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H](C)c1cc[nH]c(=O)c1 ZINC000423131754 387910270 /nfs/dbraw/zinc/91/02/70/387910270.db2.gz IKQYVZSMZGIQFZ-IVZWLZJFSA-N 1 3 223.320 1.564 20 0 BDADHO COCC1(CC[NH2+][C@@H](C)C[C@@H](C)N)CCC1 ZINC000423135611 387913809 /nfs/dbraw/zinc/91/38/09/387913809.db2.gz OBGAIXOGWZJALK-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO CC[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])OC ZINC000423135755 387914541 /nfs/dbraw/zinc/91/45/41/387914541.db2.gz GMHWHMABMWUBOK-GRYCIOLGSA-N 1 3 214.353 1.661 20 0 BDADHO CCC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])OC ZINC000423142412 387917584 /nfs/dbraw/zinc/91/75/84/387917584.db2.gz AKBGJVLDILINTR-OUAUKWLOSA-N 1 3 202.342 1.517 20 0 BDADHO CC[C@@H]1C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423151307 387930130 /nfs/dbraw/zinc/93/01/30/387930130.db2.gz JSSMFTIGVXTEJY-UCEQBCCISA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000423153263 387931894 /nfs/dbraw/zinc/93/18/94/387931894.db2.gz HENHQHSDZSADFK-RDBSUJKOSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423155574 387934796 /nfs/dbraw/zinc/93/47/96/387934796.db2.gz QTZDOKQXMJJOIF-UJPOAAIJSA-N 1 3 226.364 1.374 20 0 BDADHO Cc1cccnc1CCCN[C@H]1CCC[C@H]1[NH3+] ZINC000423155100 387934892 /nfs/dbraw/zinc/93/48/92/387934892.db2.gz PXUCBZRGBXGWLQ-OCCSQVGLSA-N 1 3 233.359 1.792 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423157619 387936191 /nfs/dbraw/zinc/93/61/91/387936191.db2.gz BHGFTUDYXOHAKT-WISYIIOYSA-N 1 3 212.337 1.271 20 0 BDADHO CCC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423142697 387920367 /nfs/dbraw/zinc/92/03/67/387920367.db2.gz BFMPDWANDRQTTK-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)OC ZINC000423142697 387920370 /nfs/dbraw/zinc/92/03/70/387920370.db2.gz BFMPDWANDRQTTK-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO CCN(C)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000156125653 387920612 /nfs/dbraw/zinc/92/06/12/387920612.db2.gz HXGPRGUKLQDBHS-NEPJUHHUSA-N 1 3 213.369 1.010 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCC[C@@H]1F ZINC000423144757 387920928 /nfs/dbraw/zinc/92/09/28/387920928.db2.gz HWFNWFRVCCOKRO-NNYUYHANSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1=CCCCC1 ZINC000423148503 387924844 /nfs/dbraw/zinc/92/48/44/387924844.db2.gz VMYDBBNGXBLOLY-YUTCNCBUSA-N 1 3 238.375 1.829 20 0 BDADHO CC[C@H](N[C@@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150244 387928575 /nfs/dbraw/zinc/92/85/75/387928575.db2.gz BIPIUBGHQBRGOX-AVGNSLFASA-N 1 3 228.380 1.658 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)CCCCO)[C@@H]1CCCN1 ZINC000423150244 387928578 /nfs/dbraw/zinc/92/85/78/387928578.db2.gz BIPIUBGHQBRGOX-AVGNSLFASA-N 1 3 228.380 1.658 20 0 BDADHO COc1cccc2c1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])C2 ZINC000423170003 387954885 /nfs/dbraw/zinc/95/48/85/387954885.db2.gz KZLKOMMEDWTRQT-GMXVVIOVSA-N 1 3 248.370 1.878 20 0 BDADHO COc1cccc2c1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)C2 ZINC000423170003 387954889 /nfs/dbraw/zinc/95/48/89/387954889.db2.gz KZLKOMMEDWTRQT-GMXVVIOVSA-N 1 3 248.370 1.878 20 0 BDADHO COCC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000423159198 387938010 /nfs/dbraw/zinc/93/80/10/387938010.db2.gz FNHHQINCZBUGCE-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224630 387938718 /nfs/dbraw/zinc/93/87/18/387938718.db2.gz OECOGFRKFQEZKO-MFKMUULPSA-N 1 3 249.358 1.766 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000423160025 387940901 /nfs/dbraw/zinc/94/09/01/387940901.db2.gz QHNVXTRJGNNUSU-RYUDHWBXSA-N 1 3 228.380 1.373 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCOC[C@@H]1[C@H](C)N ZINC000423160619 387941187 /nfs/dbraw/zinc/94/11/87/387941187.db2.gz ZWXHTINHIVUJIL-YHQUGGNUSA-N 1 3 240.391 1.620 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)[C@@H](C)O1 ZINC000392234626 387943496 /nfs/dbraw/zinc/94/34/96/387943496.db2.gz DDEUKDUHCDJRCV-WZRBSPASSA-N 1 3 224.348 1.404 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000423162383 387943552 /nfs/dbraw/zinc/94/35/52/387943552.db2.gz KXZTYCDMXMFVCE-LOWDOPEQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCNCC[C@@H]2C)O1 ZINC000423162383 387943556 /nfs/dbraw/zinc/94/35/56/387943556.db2.gz KXZTYCDMXMFVCE-LOWDOPEQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1C[C@@H](O)C1 ZINC000423161636 387943583 /nfs/dbraw/zinc/94/35/83/387943583.db2.gz JLYBHDWGDOQXEB-LPWJVIDDSA-N 1 3 226.364 1.410 20 0 BDADHO Cc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])nc1 ZINC000423162390 387943839 /nfs/dbraw/zinc/94/38/39/387943839.db2.gz KYWBNHQTKWTRKJ-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)nc1 ZINC000423162390 387943844 /nfs/dbraw/zinc/94/38/44/387943844.db2.gz KYWBNHQTKWTRKJ-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)C(C)(C)O ZINC000423162303 387943973 /nfs/dbraw/zinc/94/39/73/387943973.db2.gz PAFCCNYHAZZDGV-VHSXEESVSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)C(C)(C)O ZINC000423162303 387943977 /nfs/dbraw/zinc/94/39/77/387943977.db2.gz PAFCCNYHAZZDGV-VHSXEESVSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCC[C@H]1O ZINC000423162819 387945360 /nfs/dbraw/zinc/94/53/60/387945360.db2.gz QHFWCOJUYPUTIN-WUHRBBMRSA-N 1 3 226.364 1.125 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423162972 387946136 /nfs/dbraw/zinc/94/61/36/387946136.db2.gz LYNPKAAZYPLLEX-XWLWVQCSSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@@H](CCCO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423165999 387949614 /nfs/dbraw/zinc/94/96/14/387949614.db2.gz YSWSZXKZAQTCKQ-RWMBFGLXSA-N 1 3 228.380 1.515 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCC1 ZINC000423166182 387950052 /nfs/dbraw/zinc/95/00/52/387950052.db2.gz QUVRZTLDGUOGBF-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO CC[C@H](C)[C@@H](CN[C@H](C)C1C[NH2+]C1)OC ZINC000423165956 387950857 /nfs/dbraw/zinc/95/08/57/387950857.db2.gz YNEXBUJWVGZDMM-HOSYDEDBSA-N 1 3 214.353 1.245 20 0 BDADHO CC[C@H](C)[C@@H](C[NH2+][C@H](C)C1CNC1)OC ZINC000423165956 387950860 /nfs/dbraw/zinc/95/08/60/387950860.db2.gz YNEXBUJWVGZDMM-HOSYDEDBSA-N 1 3 214.353 1.245 20 0 BDADHO COCC[C@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423171408 387958258 /nfs/dbraw/zinc/95/82/58/387958258.db2.gz OITYWNWIDJJVBT-RWMBFGLXSA-N 1 3 228.380 1.779 20 0 BDADHO CCCCO[C@@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000423186058 387971991 /nfs/dbraw/zinc/97/19/91/387971991.db2.gz JWWRLUOHYKBDME-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000158773131 387962980 /nfs/dbraw/zinc/96/29/80/387962980.db2.gz OJCBEEGCSPXYIX-CHWSQXEVSA-N 1 3 227.396 1.258 20 0 BDADHO COCCC[C@@H](C)N[C@@H]1CCC[NH2+]C1 ZINC000423178345 387964738 /nfs/dbraw/zinc/96/47/38/387964738.db2.gz BVJVMTDATMIFSE-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO CO[C@H](C)[C@H](C)NCC1([NH3+])CCCCC1 ZINC000423181321 387967659 /nfs/dbraw/zinc/96/76/59/387967659.db2.gz OTZNMYMLNNLEOK-WDEREUQCSA-N 1 3 214.353 1.661 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423181321 387967665 /nfs/dbraw/zinc/96/76/65/387967665.db2.gz OTZNMYMLNNLEOK-WDEREUQCSA-N 1 3 214.353 1.661 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H](C)C[C@@H](C)[NH3+])C12CCC2 ZINC000423170301 387957258 /nfs/dbraw/zinc/95/72/58/387957258.db2.gz LOERFLUXBFCNFU-WISYIIOYSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H](C)C[C@@H](C)N)C12CCC2 ZINC000423170301 387957264 /nfs/dbraw/zinc/95/72/64/387957264.db2.gz LOERFLUXBFCNFU-WISYIIOYSA-N 1 3 226.364 1.659 20 0 BDADHO CCCCO[C@@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000423186058 387971976 /nfs/dbraw/zinc/97/19/76/387971976.db2.gz JWWRLUOHYKBDME-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO CC1(C)[C@H](NCC[NH3+])C[C@@H]1OCc1ccccc1 ZINC000423189221 387973697 /nfs/dbraw/zinc/97/36/97/387973697.db2.gz QPDCNXZGSJZGQZ-KGLIPLIRSA-N 1 3 248.370 1.919 20 0 BDADHO CN1CC[C@H]([NH2+]C2CCNCC2)[C@@H]2CCC[C@@H]21 ZINC000423191488 387975575 /nfs/dbraw/zinc/97/55/75/387975575.db2.gz UFVYZTFIAOBQKD-IHRRRGAJSA-N 1 3 237.391 1.201 20 0 BDADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCN ZINC000423191486 387976187 /nfs/dbraw/zinc/97/61/87/387976187.db2.gz UFPDFEVFZYQNEP-SNVBAGLBSA-N 1 3 224.279 1.370 20 0 BDADHO CCOCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158968014 387976877 /nfs/dbraw/zinc/97/68/77/387976877.db2.gz FAALJTOTVAJJAB-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCOCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158968014 387976882 /nfs/dbraw/zinc/97/68/82/387976882.db2.gz FAALJTOTVAJJAB-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCCCO[C@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC000423192000 387977850 /nfs/dbraw/zinc/97/78/50/387977850.db2.gz UZDWNJPHHNVZJI-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO c1cc2c(o1)CCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423201130 387987708 /nfs/dbraw/zinc/98/77/08/387987708.db2.gz HPVDGHSBAKBMRI-ZDUSSCGKSA-N 1 3 249.358 1.152 20 0 BDADHO CNCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423201881 387988030 /nfs/dbraw/zinc/98/80/30/387988030.db2.gz QDHQMUUKDWJCNB-ZDUSSCGKSA-N 1 3 235.375 1.992 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000423207736 387993421 /nfs/dbraw/zinc/99/34/21/387993421.db2.gz DJSMQJHWLUEVMV-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CN1 ZINC000423210332 387995214 /nfs/dbraw/zinc/99/52/14/387995214.db2.gz HKCRTAXGVWBOMN-XJFOESAGSA-N 1 3 238.375 1.533 20 0 BDADHO COCC[C@@H](Cc1cccc(F)c1)NCC[NH3+] ZINC000423196099 387982610 /nfs/dbraw/zinc/98/26/10/387982610.db2.gz YUYBAWOVVGIMDU-ZDUSSCGKSA-N 1 3 240.322 1.322 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423199339 387985717 /nfs/dbraw/zinc/98/57/17/387985717.db2.gz JTXZHFVLBPLSJY-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000423215783 387997217 /nfs/dbraw/zinc/99/72/17/387997217.db2.gz OVPFNSUURLNVGT-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000423215791 387997467 /nfs/dbraw/zinc/99/74/67/387997467.db2.gz NNLDFNWZDYEMHZ-BNDIWNMDSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCNC1 ZINC000423215791 387997470 /nfs/dbraw/zinc/99/74/70/387997470.db2.gz NNLDFNWZDYEMHZ-BNDIWNMDSA-N 1 3 226.364 1.530 20 0 BDADHO C1CC1[C@@H]([NH2+][C@H]1CCNC1)C1CCCC1 ZINC000423213464 387998240 /nfs/dbraw/zinc/99/82/40/387998240.db2.gz LHQJLXAMYMAXEO-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424375175 387999442 /nfs/dbraw/zinc/99/94/42/387999442.db2.gz MMZXZBLTMTXJBH-ZRJCITRHSA-N 1 3 237.391 1.329 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CCCSC1 ZINC000424374118 387999954 /nfs/dbraw/zinc/99/99/54/387999954.db2.gz YNBZYVYAINFCPR-GMTAPVOTSA-N 1 3 214.378 1.742 20 0 BDADHO COc1ccc(C[C@H](C)NCC[C@H](C)[NH3+])cn1 ZINC000423222172 388002320 /nfs/dbraw/zinc/00/23/20/388002320.db2.gz AAONFAGRJHAVKD-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO COc1ccc(C[C@H](C)[NH2+]CC[C@H](C)N)cn1 ZINC000423222172 388002325 /nfs/dbraw/zinc/00/23/25/388002325.db2.gz AAONFAGRJHAVKD-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1CCc2ccccc2OC1 ZINC000423224159 388005660 /nfs/dbraw/zinc/00/56/60/388005660.db2.gz IJYHPKZQHAZVQT-WCQYABFASA-N 1 3 234.343 1.707 20 0 BDADHO CC[NH2+]CCN[C@H](C)C1CCSCC1 ZINC000423239379 388022549 /nfs/dbraw/zinc/02/25/49/388022549.db2.gz GFDUEAPAPZTVAA-SNVBAGLBSA-N 1 3 216.394 1.717 20 0 BDADHO COc1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000066147953 388023661 /nfs/dbraw/zinc/02/36/61/388023661.db2.gz IWWBJLWKOYKMQN-SNVBAGLBSA-N 1 3 208.305 1.522 20 0 BDADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251152 388032769 /nfs/dbraw/zinc/03/27/69/388032769.db2.gz RLHPBCHPCILMTK-GHMZBOCLSA-N 1 3 237.322 1.871 20 0 BDADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251155 388034279 /nfs/dbraw/zinc/03/42/79/388034279.db2.gz RLHPBCHPCILMTK-WDEREUQCSA-N 1 3 237.322 1.871 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000423255946 388036583 /nfs/dbraw/zinc/03/65/83/388036583.db2.gz AZLCAOILMVFPTN-SRVKXCTJSA-N 1 3 214.353 1.247 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000423255945 388036957 /nfs/dbraw/zinc/03/69/57/388036957.db2.gz AZLCAOILMVFPTN-SDDRHHMPSA-N 1 3 214.353 1.247 20 0 BDADHO CNC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000423265448 388044539 /nfs/dbraw/zinc/04/45/39/388044539.db2.gz RCMJRQPTNSKTIZ-CMPLNLGQSA-N 1 3 241.379 1.008 20 0 BDADHO COC[C@H](NC[C@@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263254 388042448 /nfs/dbraw/zinc/04/24/48/388042448.db2.gz ANFOEDWXLZCSFB-OLZOCXBDSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@H]1CCO[C@H]1C ZINC000423263542 388042461 /nfs/dbraw/zinc/04/24/61/388042461.db2.gz OSNQSIXFNINORI-AXFHLTTASA-N 1 3 200.326 1.127 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000423271663 388051621 /nfs/dbraw/zinc/05/16/21/388051621.db2.gz JFDFSYAEZSSCOC-QWRGUYRKSA-N 1 3 230.421 1.963 20 0 BDADHO [NH3+]C[C@@H](N[C@@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274964 388054752 /nfs/dbraw/zinc/05/47/52/388054752.db2.gz KZPNUXVGFQMURN-ZIAGYGMSSA-N 1 3 246.354 1.707 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](C)CCCOC ZINC000423275519 388057411 /nfs/dbraw/zinc/05/74/11/388057411.db2.gz NFHBUFRTCZGYOL-QWRGUYRKSA-N 1 3 202.342 1.247 20 0 BDADHO C[C@@H](Cc1ccoc1)N[C@H](C[NH3+])C1CC1 ZINC000423280862 388062247 /nfs/dbraw/zinc/06/22/47/388062247.db2.gz SYYLSJIXYCKHAK-JOYOIKCWSA-N 1 3 208.305 1.538 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H](Cn1cccn1)C(C)C ZINC000423284688 388067747 /nfs/dbraw/zinc/06/77/47/388067747.db2.gz YSZXCVGXUSLBAG-QWHCGFSZSA-N 1 3 238.379 1.353 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423284688 388067751 /nfs/dbraw/zinc/06/77/51/388067751.db2.gz YSZXCVGXUSLBAG-QWHCGFSZSA-N 1 3 238.379 1.353 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423284823 388069522 /nfs/dbraw/zinc/06/95/22/388069522.db2.gz YQGOBICJZMKQDW-NQBHXWOUSA-N 1 3 225.380 1.185 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CCC(=O)NC1(C)C ZINC000423290267 388075010 /nfs/dbraw/zinc/07/50/10/388075010.db2.gz COTYSKNNLQJGHV-JTQLQIEISA-N 1 3 241.379 1.151 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H]1CCO[C@H]1C ZINC000423296692 388078242 /nfs/dbraw/zinc/07/82/42/388078242.db2.gz HJTOTZPKKOTURJ-AXFHLTTASA-N 1 3 200.326 1.271 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423297774 388080375 /nfs/dbraw/zinc/08/03/75/388080375.db2.gz LUZRTBNYJCMJHA-JHJVBQTASA-N 1 3 227.396 1.754 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2ccncc2)CC1 ZINC000084691194 388080883 /nfs/dbraw/zinc/08/08/83/388080883.db2.gz MSCBFIKXWDMHHB-LLVKDONJSA-N 1 3 219.332 1.641 20 0 BDADHO NC[C@@H]([NH2+][C@@H]1CCCc2occc21)C1CC1 ZINC000423268798 388047657 /nfs/dbraw/zinc/04/76/57/388047657.db2.gz DYSIOFPNTCVLJR-VXGBXAGGSA-N 1 3 220.316 1.984 20 0 BDADHO CC(C)C[C@H](CN)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000423269608 388049920 /nfs/dbraw/zinc/04/99/20/388049920.db2.gz VXIJHSVNEMPMBT-YNEHKIRRSA-N 1 3 227.396 1.432 20 0 BDADHO CCc1cc(N[C@@H]2CCCN(C)[C@@H]2C)cc[nH+]1 ZINC000450437960 388256127 /nfs/dbraw/zinc/25/61/27/388256127.db2.gz LRWVUDYWTYHLBA-BXUZGUMPSA-N 1 3 233.359 1.961 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449619010 388244112 /nfs/dbraw/zinc/24/41/12/388244112.db2.gz MWYVHRZQQXHLLS-ZWNOBZJWSA-N 1 3 249.358 1.718 20 0 BDADHO CCCC[C@@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449622164 388244673 /nfs/dbraw/zinc/24/46/73/388244673.db2.gz CSLVEJPFPQNQSU-CYBMUJFWSA-N 1 3 249.358 1.862 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000163322818 388361247 /nfs/dbraw/zinc/36/12/47/388361247.db2.gz BYLKVGZRLDYSCQ-CHWSQXEVSA-N 1 3 228.380 1.589 20 0 BDADHO Cc1ccccc1C[C@H](C)N[C@@H](C)C[NH3+] ZINC000235144242 388364841 /nfs/dbraw/zinc/36/48/41/388364841.db2.gz PIBVJKMFCMZMPQ-RYUDHWBXSA-N 1 3 206.333 1.863 20 0 BDADHO CC(C)N(C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000236648657 388381104 /nfs/dbraw/zinc/38/11/04/388381104.db2.gz FVERNHYCZYTOBH-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO NCc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000646579095 388388758 /nfs/dbraw/zinc/38/87/58/388388758.db2.gz QPEDXQDMFPEBND-UHFFFAOYSA-N 1 3 221.304 1.213 20 0 BDADHO N[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300971454 388396686 /nfs/dbraw/zinc/39/66/86/388396686.db2.gz QSYVYOQPJIVBPD-IUCAKERBSA-N 1 3 204.264 1.455 20 0 BDADHO N[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300971454 388396689 /nfs/dbraw/zinc/39/66/89/388396689.db2.gz QSYVYOQPJIVBPD-IUCAKERBSA-N 1 3 204.264 1.455 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC1(C)C)CN(C)C ZINC000336901789 388441746 /nfs/dbraw/zinc/44/17/46/388441746.db2.gz SWUKTWPQCDEHED-GHMZBOCLSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H](CN[C@@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901789 388441749 /nfs/dbraw/zinc/44/17/49/388441749.db2.gz SWUKTWPQCDEHED-GHMZBOCLSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]([NH3+])CC(=O)Nc1cccc2c1CCNC2 ZINC000646735669 388446839 /nfs/dbraw/zinc/44/68/39/388446839.db2.gz UXEFNLVQLPDCHP-SECBINFHSA-N 1 3 233.315 1.008 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CC[C@H]1CCOC1 ZINC000339409393 388482170 /nfs/dbraw/zinc/48/21/70/388482170.db2.gz LZIWAJMCJBPEEM-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H](NCC[C@H](C)CCO)[C@H]1CCCC[NH2+]1 ZINC000397649301 388487341 /nfs/dbraw/zinc/48/73/41/388487341.db2.gz WBZVPNXYIDESPT-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO CSC[C@@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000516921788 388525054 /nfs/dbraw/zinc/52/50/54/388525054.db2.gz MMERRXQJUOJTIP-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000516921788 388525056 /nfs/dbraw/zinc/52/50/56/388525056.db2.gz MMERRXQJUOJTIP-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO C[C@H]1CN(CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000631842927 388610842 /nfs/dbraw/zinc/61/08/42/388610842.db2.gz HMBYCCJLCRYWGS-QWHCGFSZSA-N 1 3 234.343 1.592 20 0 BDADHO C[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CO1 ZINC000517566137 388552861 /nfs/dbraw/zinc/55/28/61/388552861.db2.gz NXYTWKRJTGMFEF-SMDDNHRTSA-N 1 3 238.375 1.628 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NC[C@H](O)Cc2ccccc2)C1 ZINC000521271338 388567619 /nfs/dbraw/zinc/56/76/19/388567619.db2.gz GQYMPYXRLDRSHO-RRFJBIMHSA-N 1 3 248.370 1.450 20 0 BDADHO Cc1cnccc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000385061713 388573513 /nfs/dbraw/zinc/57/35/13/388573513.db2.gz UPBDZKFUKABZEG-VXGBXAGGSA-N 1 3 219.332 1.559 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]2F)C1 ZINC000522014325 388674558 /nfs/dbraw/zinc/67/45/58/388674558.db2.gz RYMGLNWJUBUONJ-ZRUFSTJUSA-N 1 3 200.301 1.737 20 0 BDADHO CCN1CC[C@@H]([NH2+]CC(C)(C)N(C)C)[C@H](C)C1 ZINC000152602107 388678942 /nfs/dbraw/zinc/67/89/42/388678942.db2.gz QQFMOCPIFYZJDS-CHWSQXEVSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CNC1 ZINC000530210048 388628101 /nfs/dbraw/zinc/62/81/01/388628101.db2.gz KTAQMTQDZWSACZ-QCNOEVLYSA-N 1 3 208.349 1.620 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCCOC1 ZINC000530215795 388628686 /nfs/dbraw/zinc/62/86/86/388628686.db2.gz JAMPDXAHBXCSRD-YNEHKIRRSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCCOC1 ZINC000530215793 388628920 /nfs/dbraw/zinc/62/89/20/388628920.db2.gz JAMPDXAHBXCSRD-RWMBFGLXSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)[C@H]1C[C@H]1C ZINC000530216470 388629866 /nfs/dbraw/zinc/62/98/66/388629866.db2.gz PDVIIQJZFPALBC-WYUUTHIRSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC23CCC3)[C@H]1C ZINC000530216039 388630762 /nfs/dbraw/zinc/63/07/62/388630762.db2.gz MCUPNQKACGFBTD-NOOOWODRSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)C1CNC1 ZINC000530219926 388631822 /nfs/dbraw/zinc/63/18/22/388631822.db2.gz LHTMLUOYAJLJMU-NWDGAFQWSA-N 1 3 208.349 1.930 20 0 BDADHO COc1ccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000530221876 388632886 /nfs/dbraw/zinc/63/28/86/388632886.db2.gz PIFLHQBXFJIOSO-WCQYABFASA-N 1 3 249.358 1.220 20 0 BDADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ncccc1F ZINC000530236473 388638081 /nfs/dbraw/zinc/63/80/81/388638081.db2.gz SVXMNAUCBOSDFK-WDEREUQCSA-N 1 3 237.322 1.871 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@@H]1CCCO1 ZINC000251675600 388648528 /nfs/dbraw/zinc/64/85/28/388648528.db2.gz VJVWCDLRHLOOMC-RVMXOQNASA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000516564374 388659263 /nfs/dbraw/zinc/65/92/63/388659263.db2.gz BVNZABOQVPBDRG-AVGNSLFASA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](O)[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000516564374 388659264 /nfs/dbraw/zinc/65/92/64/388659264.db2.gz BVNZABOQVPBDRG-AVGNSLFASA-N 1 3 228.380 1.610 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000250862120 388741438 /nfs/dbraw/zinc/74/14/38/388741438.db2.gz QLFTYWJZDOZHEF-TUAOUCFPSA-N 1 3 212.337 1.273 20 0 BDADHO CCSCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261527424 388743312 /nfs/dbraw/zinc/74/33/12/388743312.db2.gz BALVWQWTFLTEGA-GARJFASQSA-N 1 3 214.378 1.409 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226062217 388699093 /nfs/dbraw/zinc/69/90/93/388699093.db2.gz BIBQEOWUDDCYOX-UTUOFQBUSA-N 1 3 228.380 1.643 20 0 BDADHO CN(C)CCSCC[C@@H]1CCC[N@@H+]1C ZINC000126768606 388701916 /nfs/dbraw/zinc/70/19/16/388701916.db2.gz JSQVTBOWZCSRDE-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CN(C)CCSCC[C@@H]1CCC[N@H+]1C ZINC000126768606 388701919 /nfs/dbraw/zinc/70/19/19/388701919.db2.gz JSQVTBOWZCSRDE-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CN1CCCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000552558424 388726058 /nfs/dbraw/zinc/72/60/58/388726058.db2.gz BKCIYVFFUUPVBO-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CN1CCCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000552558424 388726059 /nfs/dbraw/zinc/72/60/59/388726059.db2.gz BKCIYVFFUUPVBO-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253034673 388799022 /nfs/dbraw/zinc/79/90/22/388799022.db2.gz VTIFRUBFSBJSOY-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCCO ZINC000229109141 388780127 /nfs/dbraw/zinc/78/01/27/388780127.db2.gz WGXCUJALEJBVFY-VXGBXAGGSA-N 1 3 214.353 1.256 20 0 BDADHO C[C@H](CNCc1ccc2[nH]cnc2c1)C[NH+](C)C ZINC000555582193 388855184 /nfs/dbraw/zinc/85/51/84/388855184.db2.gz DQCXVMUHHXNVAQ-LLVKDONJSA-N 1 3 246.358 1.850 20 0 BDADHO C[C@H](CNCc1ccc2nc[nH]c2c1)C[NH+](C)C ZINC000555582193 388855187 /nfs/dbraw/zinc/85/51/87/388855187.db2.gz DQCXVMUHHXNVAQ-LLVKDONJSA-N 1 3 246.358 1.850 20 0 BDADHO CC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCOCC1 ZINC000233029784 388860811 /nfs/dbraw/zinc/86/08/11/388860811.db2.gz QMQXUEVACWXPQZ-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO CC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCOCC1 ZINC000233023022 388861042 /nfs/dbraw/zinc/86/10/42/388861042.db2.gz QMQXUEVACWXPQZ-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCNC2)C1 ZINC000564440436 388875799 /nfs/dbraw/zinc/87/57/99/388875799.db2.gz FHHOQZCXAZQGPQ-MROQNXINSA-N 1 3 226.364 1.532 20 0 BDADHO CN(C)CCN(C)CCC[N@H+](C)CC(C)(C)C ZINC000565507865 388950202 /nfs/dbraw/zinc/95/02/02/388950202.db2.gz HOQDKYYQHRYRCV-UHFFFAOYSA-N 1 3 243.439 1.848 20 0 BDADHO CN(C)CCN(C)CCC[N@@H+](C)CC(C)(C)C ZINC000565507865 388950205 /nfs/dbraw/zinc/95/02/05/388950205.db2.gz HOQDKYYQHRYRCV-UHFFFAOYSA-N 1 3 243.439 1.848 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCNc2ccccn2)C1 ZINC000565843431 388974268 /nfs/dbraw/zinc/97/42/68/388974268.db2.gz NTNYDCSNKZMIEW-RYUDHWBXSA-N 1 3 234.347 1.353 20 0 BDADHO C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000334321210 533358182 /nfs/dbraw/zinc/35/81/82/533358182.db2.gz HTIRTGKIYJBANE-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCCO1 ZINC000257742544 533364487 /nfs/dbraw/zinc/36/44/87/533364487.db2.gz ZDVHIDJLPDZWOM-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCOC1 ZINC000261997214 533365725 /nfs/dbraw/zinc/36/57/25/533365725.db2.gz KYECFSVHPLATGM-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCCCN1 ZINC000495147013 533537224 /nfs/dbraw/zinc/53/72/24/533537224.db2.gz NCZRVRLKGYAOIV-WCQYABFASA-N 1 3 241.379 1.152 20 0 BDADHO [NH3+]C[C@H]1CN(c2ccnc3ccccc32)CCO1 ZINC000041720084 132224351 /nfs/dbraw/zinc/22/43/51/132224351.db2.gz VLYHGOQFLPICAR-NSHDSACASA-N 1 3 243.310 1.399 20 0 BDADHO CC(C)(C[NH3+])C(=O)Nc1ccc2c(c1)CNCC2 ZINC000336124205 134092693 /nfs/dbraw/zinc/09/26/93/134092693.db2.gz JUKFLDKQPUTTON-UHFFFAOYSA-N 1 3 247.342 1.256 20 0 BDADHO CCN(CCN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415629 134247110 /nfs/dbraw/zinc/24/71/10/134247110.db2.gz BNPHKHRKYREHFA-GFCCVEGCSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1ccncc1 ZINC000219304761 134281634 /nfs/dbraw/zinc/28/16/34/134281634.db2.gz ISNJPAODTDEDNJ-LBPRGKRZSA-N 1 3 237.347 1.310 20 0 BDADHO CSCC[C@@H](C)[N@H+](C)CC(C)(C)N ZINC000220376927 134306131 /nfs/dbraw/zinc/30/61/31/134306131.db2.gz MEWOGGZDPRZGLL-SECBINFHSA-N 1 3 204.383 1.797 20 0 BDADHO CSCC[C@@H](C)[N@@H+](C)CC(C)(C)N ZINC000220376927 134306132 /nfs/dbraw/zinc/30/61/32/134306132.db2.gz MEWOGGZDPRZGLL-SECBINFHSA-N 1 3 204.383 1.797 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958849 134313717 /nfs/dbraw/zinc/31/37/17/134313717.db2.gz BFROUUUEOMLWIE-KSTCHIGDSA-N 1 3 236.359 1.523 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958849 134313718 /nfs/dbraw/zinc/31/37/18/134313718.db2.gz BFROUUUEOMLWIE-KSTCHIGDSA-N 1 3 236.359 1.523 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315369 /nfs/dbraw/zinc/31/53/69/134315369.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315370 /nfs/dbraw/zinc/31/53/70/134315370.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315371 /nfs/dbraw/zinc/31/53/71/134315371.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CC(C)(C)O)CC[C@@H]21 ZINC000220947391 134315372 /nfs/dbraw/zinc/31/53/72/134315372.db2.gz GGQHODPQEGBCAE-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO OCCCCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226438323 134363394 /nfs/dbraw/zinc/36/33/94/134363394.db2.gz HOSGWTUCEJCJIF-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO OCCCC[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226438323 134363395 /nfs/dbraw/zinc/36/33/95/134363395.db2.gz HOSGWTUCEJCJIF-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO OCCCC[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226438323 134363396 /nfs/dbraw/zinc/36/33/96/134363396.db2.gz HOSGWTUCEJCJIF-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO Cn1nccc1CNCC1(C)CC[NH+](C)CC1 ZINC000227327474 134378298 /nfs/dbraw/zinc/37/82/98/134378298.db2.gz LBECDNXYOKGXEW-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000249212493 135035834 /nfs/dbraw/zinc/03/58/34/135035834.db2.gz SPEJUXBDBMSOIX-NNYUYHANSA-N 1 3 214.353 1.340 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000249212493 135035836 /nfs/dbraw/zinc/03/58/36/135035836.db2.gz SPEJUXBDBMSOIX-NNYUYHANSA-N 1 3 214.353 1.340 20 0 BDADHO C[C@H]1CN(C)CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000235585297 135048104 /nfs/dbraw/zinc/04/81/04/135048104.db2.gz DOALNLRSWXMMOR-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251201316 135066446 /nfs/dbraw/zinc/06/64/46/135066446.db2.gz KTGCNXWPRLQPKE-ZOBORPQBSA-N 1 3 240.391 1.515 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccc(F)cc1 ZINC000086435464 135084100 /nfs/dbraw/zinc/08/41/00/135084100.db2.gz WIDKBQIUZQZZIW-UHFFFAOYSA-N 1 3 226.295 1.233 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000252138036 135084517 /nfs/dbraw/zinc/08/45/17/135084517.db2.gz MTROGMRTUGCPBV-IJLUTSLNSA-N 1 3 213.369 1.009 20 0 BDADHO C[C@@H]1C[C@@H]1N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252166565 135085356 /nfs/dbraw/zinc/08/53/56/135085356.db2.gz QNPRAFJMGYZFPL-VEGXAWMVSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1C[C@@H]1N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252166563 135085945 /nfs/dbraw/zinc/08/59/45/135085945.db2.gz QNPRAFJMGYZFPL-MLGHIDQZSA-N 1 3 208.349 1.905 20 0 BDADHO CCSCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000252688091 135097144 /nfs/dbraw/zinc/09/71/44/135097144.db2.gz NEFYHUHYLDXJSM-QWRGUYRKSA-N 1 3 216.394 1.799 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000252768516 135108176 /nfs/dbraw/zinc/10/81/76/135108176.db2.gz RWLBRHLFSADBKK-BJDJZHNGSA-N 1 3 214.353 1.253 20 0 BDADHO Nc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000261642875 135110985 /nfs/dbraw/zinc/11/09/85/135110985.db2.gz GQCMVPRDSPCLGS-LBPRGKRZSA-N 1 3 219.332 1.440 20 0 BDADHO CCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252844501 135112991 /nfs/dbraw/zinc/11/29/91/135112991.db2.gz DPBFKFOMSOCFDY-SRVKXCTJSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261530136 135157179 /nfs/dbraw/zinc/15/71/79/135157179.db2.gz CBVLBBYWTZOBLK-QJPTWQEYSA-N 1 3 228.405 1.799 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261530136 135157181 /nfs/dbraw/zinc/15/71/81/135157181.db2.gz CBVLBBYWTZOBLK-QJPTWQEYSA-N 1 3 228.405 1.799 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000261531332 135160315 /nfs/dbraw/zinc/16/03/15/135160315.db2.gz GDQQGIPRXWNGIC-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO C([NH2+]C[C@@H]1CCCNC1)C1CCOCC1 ZINC000087647235 135160733 /nfs/dbraw/zinc/16/07/33/135160733.db2.gz XDJDKMKUIGEZSA-GFCCVEGCSA-N 1 3 212.337 1.002 20 0 BDADHO CO[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000261532368 135162405 /nfs/dbraw/zinc/16/24/05/135162405.db2.gz ADXMYWKNAROEFQ-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@H]2CCCNC2)[C@H](C)C1 ZINC000261532368 135162406 /nfs/dbraw/zinc/16/24/06/135162406.db2.gz ADXMYWKNAROEFQ-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)[C@H](C)C1 ZINC000261532368 135162407 /nfs/dbraw/zinc/16/24/07/135162407.db2.gz ADXMYWKNAROEFQ-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]C[C@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000261532739 135163007 /nfs/dbraw/zinc/16/30/07/135163007.db2.gz DMCQVHFLWACOOH-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1(C)C ZINC000261540140 135179551 /nfs/dbraw/zinc/17/95/51/135179551.db2.gz DWJFCBZOYVZYSH-MROQNXINSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H](c1cccnc1)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261542124 135182575 /nfs/dbraw/zinc/18/25/75/135182575.db2.gz BVIWQPVHFLACGH-CABNGKKXSA-N 1 3 231.343 1.812 20 0 BDADHO C[C@H](c1cccnc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261542127 135182771 /nfs/dbraw/zinc/18/27/71/135182771.db2.gz BVIWQPVHFLACGH-YXCITZCRSA-N 1 3 231.343 1.812 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CCS1 ZINC000261542677 135183412 /nfs/dbraw/zinc/18/34/12/135183412.db2.gz HDPYCFWMQMUFLH-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@]1(CN2CC[C@@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543683 135185025 /nfs/dbraw/zinc/18/50/25/135185025.db2.gz HXWMLVPRKRPQGX-OLZOCXBDSA-N 1 3 208.349 1.718 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000084218299 135192690 /nfs/dbraw/zinc/19/26/90/135192690.db2.gz KXJORORWEYVVLU-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1 ZINC000084217382 135192958 /nfs/dbraw/zinc/19/29/58/135192958.db2.gz YOKGSJPKNLAOBQ-CHWSQXEVSA-N 1 3 204.317 1.904 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccncc1 ZINC000084218149 135193090 /nfs/dbraw/zinc/19/30/90/135193090.db2.gz ZHTRZCMQAJFFHQ-RYUDHWBXSA-N 1 3 205.305 1.299 20 0 BDADHO CC(C)COCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000084218188 135193094 /nfs/dbraw/zinc/19/30/94/135193094.db2.gz DSZGUPLDUBHZSE-STQMWFEESA-N 1 3 228.380 1.766 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccco1 ZINC000084218830 135193227 /nfs/dbraw/zinc/19/32/27/135193227.db2.gz PDHQOXXLVPORHH-CMPLNLGQSA-N 1 3 208.305 1.539 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000084218830 135193229 /nfs/dbraw/zinc/19/32/29/135193229.db2.gz PDHQOXXLVPORHH-CMPLNLGQSA-N 1 3 208.305 1.539 20 0 BDADHO CC(C)CCOCCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221184 135193381 /nfs/dbraw/zinc/19/33/81/135193381.db2.gz DNFFLKNMIQHJKZ-CHWSQXEVSA-N 1 3 228.380 1.766 20 0 BDADHO CC(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084221184 135193382 /nfs/dbraw/zinc/19/33/82/135193382.db2.gz DNFFLKNMIQHJKZ-CHWSQXEVSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1C[C@@H](N)c2ccccc21)C1CC1 ZINC000261554407 135193378 /nfs/dbraw/zinc/19/33/78/135193378.db2.gz AXRJIFZGXVVSPN-ILXRZTDVSA-N 1 3 246.354 1.882 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3cccnc3)C[C@H]12 ZINC000261553892 135193798 /nfs/dbraw/zinc/19/37/98/135193798.db2.gz OKVXLMATTDHKSP-HZSPNIEDSA-N 1 3 231.343 1.293 20 0 BDADHO C[C@@H]1OCCN(CC2CC[NH2+]CC2)[C@H]1C ZINC000261555166 135195075 /nfs/dbraw/zinc/19/50/75/135195075.db2.gz UUNYVOUYWKTEFQ-QWRGUYRKSA-N 1 3 212.337 1.095 20 0 BDADHO Cc1cnn(CCN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000261556401 135195985 /nfs/dbraw/zinc/19/59/85/135195985.db2.gz QNZYYPSDVMVFGV-OLZOCXBDSA-N 1 3 236.363 1.108 20 0 BDADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000261556474 135196913 /nfs/dbraw/zinc/19/69/13/135196913.db2.gz QUBVGYSTWYCJOQ-LOWVWBTDSA-N 1 3 236.363 1.588 20 0 BDADHO Cc1cnn(CCN[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000261559277 135200452 /nfs/dbraw/zinc/20/04/52/135200452.db2.gz TUCFIESTVSKWLT-GFCCVEGCSA-N 1 3 236.363 1.169 20 0 BDADHO Cc1cnn(CC[NH2+][C@@H]2CCNCC2(C)C)c1 ZINC000261559277 135200455 /nfs/dbraw/zinc/20/04/55/135200455.db2.gz TUCFIESTVSKWLT-GFCCVEGCSA-N 1 3 236.363 1.169 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000261564141 135206206 /nfs/dbraw/zinc/20/62/06/135206206.db2.gz XNCGGGYEBSGQIF-XUXIUFHCSA-N 1 3 240.391 1.645 20 0 BDADHO COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261575987 135217879 /nfs/dbraw/zinc/21/78/79/135217879.db2.gz NMHLMKPMEAHNDD-QEJZJMRPSA-N 1 3 246.354 1.864 20 0 BDADHO Cc1cnn(CCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261578737 135219729 /nfs/dbraw/zinc/21/97/29/135219729.db2.gz PAHLNELNJYDJQR-MJBXVCDLSA-N 1 3 248.374 1.251 20 0 BDADHO Cc1nn(C)c(C)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261579699 135220412 /nfs/dbraw/zinc/22/04/12/135220412.db2.gz PQOGSUVXDXWWLJ-FPMFFAJLSA-N 1 3 248.374 1.206 20 0 BDADHO COc1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261584035 135225120 /nfs/dbraw/zinc/22/51/20/135225120.db2.gz SAOPIEFKHCQPEO-FPMFFAJLSA-N 1 3 246.354 1.864 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000261592386 135233082 /nfs/dbraw/zinc/23/30/82/135233082.db2.gz VUEVQLUBOVSQCW-VOAKCMCISA-N 1 3 226.364 1.255 20 0 BDADHO Cc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000261592936 135233600 /nfs/dbraw/zinc/23/36/00/135233600.db2.gz WJDPRJCYFIBIIS-UHFFFAOYSA-N 1 3 204.317 1.966 20 0 BDADHO C[C@]1(CN2CCC3(C2)CCOCC3)CC[NH2+]C1 ZINC000261546801 135239490 /nfs/dbraw/zinc/23/94/90/135239490.db2.gz HJJRNNYIMYXVJG-ZDUSSCGKSA-N 1 3 238.375 1.489 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261547454 135240202 /nfs/dbraw/zinc/24/02/02/135240202.db2.gz ICVYYPDXWJUJMP-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000261670595 135245053 /nfs/dbraw/zinc/24/50/53/135245053.db2.gz AMVYSXYHCHOBOO-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H](N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000261670595 135245055 /nfs/dbraw/zinc/24/50/55/135245055.db2.gz AMVYSXYHCHOBOO-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@@]1(CO)CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261684115 135246015 /nfs/dbraw/zinc/24/60/15/135246015.db2.gz AFCQOLYDOUUFKG-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO COCC1(C)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261780314 135252324 /nfs/dbraw/zinc/25/23/24/135252324.db2.gz FKBLDMPNCODLEF-ZDUSSCGKSA-N 1 3 240.391 1.735 20 0 BDADHO COCC1(C)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000261780314 135252325 /nfs/dbraw/zinc/25/23/25/135252325.db2.gz FKBLDMPNCODLEF-ZDUSSCGKSA-N 1 3 240.391 1.735 20 0 BDADHO CC[N@H+](CC[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261782117 135252712 /nfs/dbraw/zinc/25/27/12/135252712.db2.gz FLQVKWLWDABNJI-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261782117 135252713 /nfs/dbraw/zinc/25/27/13/135252713.db2.gz FLQVKWLWDABNJI-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261831543 135255777 /nfs/dbraw/zinc/25/57/77/135255777.db2.gz JCDBMTOAFZEQDD-XJFOESAGSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261831543 135255780 /nfs/dbraw/zinc/25/57/80/135255780.db2.gz JCDBMTOAFZEQDD-XJFOESAGSA-N 1 3 240.391 1.467 20 0 BDADHO COC[C@@H]1CCCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261825211 135256141 /nfs/dbraw/zinc/25/61/41/135256141.db2.gz IPVDXDZERZZACS-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@@H]1CCCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261825211 135256143 /nfs/dbraw/zinc/25/61/43/135256143.db2.gz IPVDXDZERZZACS-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC000261859273 135257808 /nfs/dbraw/zinc/25/78/08/135257808.db2.gz YENNNXAKOJNSTR-NSHDSACASA-N 1 3 249.358 1.086 20 0 BDADHO COC(=O)C[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261879622 135258909 /nfs/dbraw/zinc/25/89/09/135258909.db2.gz QREZMKGUZROSEW-WCQYABFASA-N 1 3 240.347 1.014 20 0 BDADHO CCc1nc(CNCC[C@@H]2CC[NH2+]C2)cs1 ZINC000261893416 135260889 /nfs/dbraw/zinc/26/08/89/135260889.db2.gz AKWQNWPAFSUNIQ-JTQLQIEISA-N 1 3 239.388 1.795 20 0 BDADHO CN(CC[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261948455 135265297 /nfs/dbraw/zinc/26/52/97/135265297.db2.gz FQPVHTSTAKKGPG-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@]1(CN2CC[C@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028446 135274045 /nfs/dbraw/zinc/27/40/45/135274045.db2.gz NUTJSLOUFBOJST-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO C[NH2+]CC1CCN(CCOCC(F)F)CC1 ZINC000262178000 135284183 /nfs/dbraw/zinc/28/41/83/135284183.db2.gz WECQGZFWNXLXQR-UHFFFAOYSA-N 1 3 236.306 1.200 20 0 BDADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)CO2 ZINC000262219170 135285383 /nfs/dbraw/zinc/28/53/83/135285383.db2.gz MOKYQQODYCMFCW-CYBMUJFWSA-N 1 3 232.327 1.332 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCC[C@H]1O ZINC000262213601 135290750 /nfs/dbraw/zinc/29/07/50/135290750.db2.gz LXPSJFVDNYXSOV-HZSPNIEDSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)C[C@@H]1CCCC[C@H]1O ZINC000262213601 135290751 /nfs/dbraw/zinc/29/07/51/135290751.db2.gz LXPSJFVDNYXSOV-HZSPNIEDSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)C[C@@H]1CCCC[C@H]1O ZINC000262213601 135290752 /nfs/dbraw/zinc/29/07/52/135290752.db2.gz LXPSJFVDNYXSOV-HZSPNIEDSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000262581073 135306666 /nfs/dbraw/zinc/30/66/66/135306666.db2.gz JPVXKTQADXYRTM-LLVKDONJSA-N 1 3 243.395 1.016 20 0 BDADHO NC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000262757962 135317101 /nfs/dbraw/zinc/31/71/01/135317101.db2.gz FAEJVLVDHGRYEL-MNOVXSKESA-N 1 3 239.363 1.034 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000263258727 135342440 /nfs/dbraw/zinc/34/24/40/135342440.db2.gz QQWMPPBTGVMFSI-YIYPIFLZSA-N 1 3 238.375 1.125 20 0 BDADHO CCN1C[C@@H](C)[C@@H](NCCC[N@H+](C)C(C)C)C1 ZINC000343153628 135366363 /nfs/dbraw/zinc/36/63/63/135366363.db2.gz DOGZDUYSWFMMMR-KGLIPLIRSA-N 1 3 241.423 1.647 20 0 BDADHO CCN1C[C@@H](C)[C@@H](NCCC[N@@H+](C)C(C)C)C1 ZINC000343153628 135366364 /nfs/dbraw/zinc/36/63/64/135366364.db2.gz DOGZDUYSWFMMMR-KGLIPLIRSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CCC2)CCN1C ZINC000097928132 135632026 /nfs/dbraw/zinc/63/20/26/135632026.db2.gz VHLZMXIQTSRCKU-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H]1C[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000649539490 397932795 /nfs/dbraw/zinc/93/27/95/397932795.db2.gz XDJDHCACNSTFRO-ZIAGYGMSSA-N 1 3 239.407 1.354 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000649539490 397932798 /nfs/dbraw/zinc/93/27/98/397932798.db2.gz XDJDHCACNSTFRO-ZIAGYGMSSA-N 1 3 239.407 1.354 20 0 BDADHO C(C1CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916577 397967711 /nfs/dbraw/zinc/96/77/11/397967711.db2.gz UEOSLVOQZQCYDK-QWHCGFSZSA-N 1 3 208.349 1.860 20 0 BDADHO CC(C)COC1CCN(CCC[NH3+])CC1 ZINC000414689344 398018644 /nfs/dbraw/zinc/01/86/44/398018644.db2.gz KUJSJYJMCBNFQW-UHFFFAOYSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000389124859 398029262 /nfs/dbraw/zinc/02/92/62/398029262.db2.gz VTJGTMNIZPWISV-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638244698 398081464 /nfs/dbraw/zinc/08/14/64/398081464.db2.gz YCEBLNSSLFHNHW-NWDGAFQWSA-N 1 3 243.395 1.384 20 0 BDADHO COCC[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000086637479 398056070 /nfs/dbraw/zinc/05/60/70/398056070.db2.gz ISIMEYWJOKBUEA-SNVBAGLBSA-N 1 3 202.342 1.328 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414948255 398121988 /nfs/dbraw/zinc/12/19/88/398121988.db2.gz LYHVJAXHLXMOIQ-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)C[C@@H](CN(C)C)NC(=O)C[NH2+]C(C)C ZINC000037609860 487560029 /nfs/dbraw/zinc/56/00/29/487560029.db2.gz XXGBANNFFOKRFO-LBPRGKRZSA-N 1 3 243.395 1.077 20 0 BDADHO C(N[C@@H]1CCCOCC1)[C@H]1CCCC[NH2+]1 ZINC000308866156 487570806 /nfs/dbraw/zinc/57/08/06/487570806.db2.gz XARUIWNZJSZGMK-VXGBXAGGSA-N 1 3 212.337 1.287 20 0 BDADHO Cc1cn[nH]c1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000334848333 487573904 /nfs/dbraw/zinc/57/39/04/487573904.db2.gz RIAGGFFGXOCCOP-VHSXEESVSA-N 1 3 208.309 1.078 20 0 BDADHO CC(C)OCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000336755196 167215996 /nfs/dbraw/zinc/21/59/96/167215996.db2.gz XOEAUCIAGXASMI-NWDGAFQWSA-N 1 3 214.353 1.471 20 0 BDADHO CO[C@@H](C[N@@H+]1CCCNCC1)C1CCCC1 ZINC000662241923 409528361 /nfs/dbraw/zinc/52/83/61/409528361.db2.gz YRQRQGIDPSIURE-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@@H](C[N@H+]1CCCNCC1)C1CCCC1 ZINC000662241923 409528367 /nfs/dbraw/zinc/52/83/67/409528367.db2.gz YRQRQGIDPSIURE-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@](C[NH3+])(NCCO[C@@H]1CC1(F)F)C1CC1 ZINC000662246648 409544758 /nfs/dbraw/zinc/54/47/58/409544758.db2.gz ADZXQJRVCBUIOA-NXEZZACHSA-N 1 3 234.290 1.128 20 0 BDADHO CC[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249660 409548963 /nfs/dbraw/zinc/54/89/63/409548963.db2.gz RQUZQZVPCSJBKC-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662249660 409548969 /nfs/dbraw/zinc/54/89/69/409548969.db2.gz RQUZQZVPCSJBKC-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000662255352 409552242 /nfs/dbraw/zinc/55/22/42/409552242.db2.gz OSMFCFXVUMGXMX-JHJVBQTASA-N 1 3 236.359 1.239 20 0 BDADHO CO[C@@H](CN1CCC(C)([NH3+])CC1)C1CCC1 ZINC000662271465 409574956 /nfs/dbraw/zinc/57/49/56/409574956.db2.gz UUOWTWFBJPXWOP-LBPRGKRZSA-N 1 3 226.364 1.615 20 0 BDADHO Cc1nocc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662271977 409576390 /nfs/dbraw/zinc/57/63/90/409576390.db2.gz CNFXGVUGTKUHOE-ZDUSSCGKSA-N 1 3 249.358 1.805 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc2c1CCC2 ZINC000650703660 410332410 /nfs/dbraw/zinc/33/24/10/410332410.db2.gz KSDKEBJLLMJHHH-NSHDSACASA-N 1 3 218.344 1.860 20 0 BDADHO [NH3+]C[C@@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650702737 410332759 /nfs/dbraw/zinc/33/27/59/410332759.db2.gz RUJPWXDCTJKOAE-LBPRGKRZSA-N 1 3 230.355 1.956 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650712180 410341619 /nfs/dbraw/zinc/34/16/19/410341619.db2.gz UXDCQYXTYVBLDC-MFKMUULPSA-N 1 3 236.363 1.667 20 0 BDADHO C[C@H](CO)C1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000650714927 410347680 /nfs/dbraw/zinc/34/76/80/410347680.db2.gz HPZMFVYAMXXKCE-OCCSQVGLSA-N 1 3 240.391 1.326 20 0 BDADHO [NH3+]Cc1ccc(CNC2CCOCC2)c(F)c1 ZINC000650717521 410353776 /nfs/dbraw/zinc/35/37/76/410353776.db2.gz CZHQUHXHQIKVME-UHFFFAOYSA-N 1 3 238.306 1.553 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN(C)CCN1CCCCC1 ZINC000650724648 410359646 /nfs/dbraw/zinc/35/96/46/410359646.db2.gz JZQQBOKXKGIJEJ-CQSZACIVSA-N 1 3 241.423 1.778 20 0 BDADHO Cc1cc([C@H](C)NCCC2(C[NH3+])CC2)nn1C ZINC000650746717 410384824 /nfs/dbraw/zinc/38/48/24/410384824.db2.gz JOZYUMSQZPWSGY-NSHDSACASA-N 1 3 236.363 1.508 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1nccn1C ZINC000650746062 410385390 /nfs/dbraw/zinc/38/53/90/410385390.db2.gz VCRIJZBGDBTDDK-SNVBAGLBSA-N 1 3 222.336 1.200 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@@H](C)[C@H](C)OC ZINC000650758165 410407669 /nfs/dbraw/zinc/40/76/69/410407669.db2.gz KOGGWEKYPGPQLI-RYUDHWBXSA-N 1 3 236.359 1.919 20 0 BDADHO C[C@@H]1C[C@@H](NCCC2CC[NH2+]CC2)c2nccn21 ZINC000650761833 410410266 /nfs/dbraw/zinc/41/02/66/410410266.db2.gz LNIHSQBSMUKTHS-DGCLKSJQSA-N 1 3 248.374 1.868 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCC2)[C@@H](C)O1 ZINC000665246267 410730064 /nfs/dbraw/zinc/73/00/64/410730064.db2.gz AKKRYKHEFRCVEL-MXWKQRLJSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCC2)CN1C1CC1 ZINC000665249411 410731422 /nfs/dbraw/zinc/73/14/22/410731422.db2.gz PUCQQAYLHZREKF-VXGBXAGGSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249411 410731429 /nfs/dbraw/zinc/73/14/29/410731429.db2.gz PUCQQAYLHZREKF-VXGBXAGGSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)O1 ZINC000665265110 410737539 /nfs/dbraw/zinc/73/75/39/410737539.db2.gz PHTPUKKFJWYFOA-YVECIDJPSA-N 1 3 226.364 1.804 20 0 BDADHO CC[C@H]1CN(CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000393760412 410761425 /nfs/dbraw/zinc/76/14/25/410761425.db2.gz KVXFDTACKKDBGB-RYUDHWBXSA-N 1 3 222.336 1.011 20 0 BDADHO CC[NH+](CC)CCCN1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339621220 169773224 /nfs/dbraw/zinc/77/32/24/169773224.db2.gz HGVMTWKUOAYZJC-ZIAGYGMSSA-N 1 3 241.423 1.743 20 0 BDADHO COCC[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC000393613665 410750434 /nfs/dbraw/zinc/75/04/34/410750434.db2.gz IBPDQYRSIHPADV-SNVBAGLBSA-N 1 3 200.326 1.225 20 0 BDADHO C[NH2+]C[C@H](C)NC1CCC(COC)CC1 ZINC000665298633 410828108 /nfs/dbraw/zinc/82/81/08/410828108.db2.gz ZFXKHVIIZNYZDA-UNXYVOJBSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)OCCCN1CC[C@H](C[NH3+])C1 ZINC000011891425 167215797 /nfs/dbraw/zinc/21/57/97/167215797.db2.gz QXXFQZKFHFWZJP-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000309282702 410916820 /nfs/dbraw/zinc/91/68/20/410916820.db2.gz UEUZFLJYBRSRHB-NEPJUHHUSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000309282702 410916826 /nfs/dbraw/zinc/91/68/26/410916826.db2.gz UEUZFLJYBRSRHB-NEPJUHHUSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@H+](C[C@H]1CCOC1)C[C@H]1CCCNC1 ZINC000300046062 411078090 /nfs/dbraw/zinc/07/80/90/411078090.db2.gz QWJFMBDKMPTJQX-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CC[N@@H+](C[C@H]1CCOC1)C[C@H]1CCCNC1 ZINC000300046062 411078097 /nfs/dbraw/zinc/07/80/97/411078097.db2.gz QWJFMBDKMPTJQX-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000107786894 411139170 /nfs/dbraw/zinc/13/91/70/411139170.db2.gz ZEELXLCTAUWKDY-NXEZZACHSA-N 1 3 208.305 1.693 20 0 BDADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000107786889 411139234 /nfs/dbraw/zinc/13/92/34/411139234.db2.gz ZEELXLCTAUWKDY-ZJUUUORDSA-N 1 3 208.305 1.693 20 0 BDADHO CC(C)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000108324113 411144334 /nfs/dbraw/zinc/14/43/34/411144334.db2.gz PNNLAGBSMWTFJN-GFCCVEGCSA-N 1 3 210.365 1.964 20 0 BDADHO COC[C@H](C)C[NH2+]CCCN(C)CC(C)C ZINC000651865702 411147616 /nfs/dbraw/zinc/14/76/16/411147616.db2.gz FGFUIEYPEIOKQZ-CYBMUJFWSA-N 1 3 230.396 1.836 20 0 BDADHO C[NH2+]CCC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000070480076 411170327 /nfs/dbraw/zinc/17/03/27/411170327.db2.gz HMYUKDWPVJVNBB-LBPRGKRZSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H]1CCC[N@H+](CCCF)[C@@H]1CCN ZINC000404305399 411183076 /nfs/dbraw/zinc/18/30/76/411183076.db2.gz RUMMUZWIUMSQLP-GHMZBOCLSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCCF)[C@@H]1CCN ZINC000404305399 411183079 /nfs/dbraw/zinc/18/30/79/411183079.db2.gz RUMMUZWIUMSQLP-GHMZBOCLSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1CCCN(CCCF)[C@@H]1CC[NH3+] ZINC000404305399 411183081 /nfs/dbraw/zinc/18/30/81/411183081.db2.gz RUMMUZWIUMSQLP-GHMZBOCLSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]1CCC[NH2+]C1 ZINC000656193853 411199429 /nfs/dbraw/zinc/19/94/29/411199429.db2.gz VZDFAROOTULMAL-OLZOCXBDSA-N 1 3 233.359 1.602 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701984 411201293 /nfs/dbraw/zinc/20/12/93/411201293.db2.gz UFLMNFJFECZFSC-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701984 411201295 /nfs/dbraw/zinc/20/12/95/411201295.db2.gz UFLMNFJFECZFSC-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO CCC1(O)CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000656198193 411202959 /nfs/dbraw/zinc/20/29/59/411202959.db2.gz MKGMHEBMVJEMAR-AHPWVWPOSA-N 1 3 240.391 1.930 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCn3ccnc3C2)C1 ZINC000656197950 411203204 /nfs/dbraw/zinc/20/32/04/411203204.db2.gz FFYHBOYIOIHERD-UTUOFQBUSA-N 1 3 234.347 1.057 20 0 BDADHO C[C@H](N[C@@H]1CCCN2CCCC[C@H]12)C1C[NH2+]C1 ZINC000656201460 411206134 /nfs/dbraw/zinc/20/61/34/411206134.db2.gz PKYZAKGYGITKMX-IACUBPJLSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H](Cc1ccccn1)N[C@@H](C)C1C[NH2+]C1 ZINC000656201067 411206594 /nfs/dbraw/zinc/20/65/94/411206594.db2.gz JHSSBYKNZIFHDQ-QWRGUYRKSA-N 1 3 219.332 1.210 20 0 BDADHO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)C1CNC1 ZINC000656201067 411206597 /nfs/dbraw/zinc/20/65/97/411206597.db2.gz JHSSBYKNZIFHDQ-QWRGUYRKSA-N 1 3 219.332 1.210 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)Cc1ccccn1 ZINC000656201894 411207513 /nfs/dbraw/zinc/20/75/13/411207513.db2.gz USAMAPNGRFOHDX-SRVKXCTJSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000656201894 411207516 /nfs/dbraw/zinc/20/75/16/411207516.db2.gz USAMAPNGRFOHDX-SRVKXCTJSA-N 1 3 221.348 1.728 20 0 BDADHO CCO[C@@H]1CN(CCCOC(C)C)C[C@H]1C[NH3+] ZINC000652356870 411215505 /nfs/dbraw/zinc/21/55/05/411215505.db2.gz MJSHCOLYNZHRMV-CHWSQXEVSA-N 1 3 244.379 1.097 20 0 BDADHO CCCN1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000310258187 411230821 /nfs/dbraw/zinc/23/08/21/411230821.db2.gz PURRKEUXVNNMEH-ZDUSSCGKSA-N 1 3 241.423 1.648 20 0 BDADHO CC[C@@H](NC[C@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173519 411236303 /nfs/dbraw/zinc/23/63/03/411236303.db2.gz ZCAIKETZOZKWET-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@@H]([NH2+]C[C@H](C)CCOC)[C@@H]1CCCN1 ZINC000423173519 411236306 /nfs/dbraw/zinc/23/63/06/411236306.db2.gz ZCAIKETZOZKWET-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H](NC[C@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173517 411236668 /nfs/dbraw/zinc/23/66/68/411236668.db2.gz ZCAIKETZOZKWET-AGIUHOORSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CCOC)[C@@H]1CCCN1 ZINC000423173517 411236670 /nfs/dbraw/zinc/23/66/70/411236670.db2.gz ZCAIKETZOZKWET-AGIUHOORSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H]1C[NH2+]C[C@H](NCC2CCOCC2)C1 ZINC000401710285 411299055 /nfs/dbraw/zinc/29/90/55/411299055.db2.gz DHYQHBQXHPGFOZ-ZYHUDNBSSA-N 1 3 212.337 1.001 20 0 BDADHO CC[N@H+](C[C@@H](N)CC(C)C)[C@H]1CCCOC1 ZINC000402727412 411310003 /nfs/dbraw/zinc/31/00/03/411310003.db2.gz ZTBTWJHDXFSOGJ-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CC[N@@H+](C[C@@H](N)CC(C)C)[C@H]1CCCOC1 ZINC000402727412 411310007 /nfs/dbraw/zinc/31/00/07/411310007.db2.gz ZTBTWJHDXFSOGJ-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000309801968 411252629 /nfs/dbraw/zinc/25/26/29/411252629.db2.gz WRATVHIIMPGLIZ-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO Nc1cccc(CNCC2(C[NH3+])CC2)c1 ZINC000656786058 411364130 /nfs/dbraw/zinc/36/41/30/411364130.db2.gz USPIOSILBICTLF-UHFFFAOYSA-N 1 3 205.305 1.097 20 0 BDADHO NCC1(C[NH2+]Cc2cccc(N)c2)CC1 ZINC000656786058 411364132 /nfs/dbraw/zinc/36/41/32/411364132.db2.gz USPIOSILBICTLF-UHFFFAOYSA-N 1 3 205.305 1.097 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@]1(C)CO ZINC000662146604 411367601 /nfs/dbraw/zinc/36/76/01/411367601.db2.gz SFGUXDYHAXFLHU-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@]1(C)CO ZINC000662146604 411367602 /nfs/dbraw/zinc/36/76/02/411367602.db2.gz SFGUXDYHAXFLHU-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562269 411371542 /nfs/dbraw/zinc/37/15/42/411371542.db2.gz GXMKXSXESSLCGA-POOIEITISA-N 1 3 226.364 1.255 20 0 BDADHO CC1CCN(CCN[C@@H]2CCC[NH2+]CC2)CC1 ZINC000129177812 168181843 /nfs/dbraw/zinc/18/18/43/168181843.db2.gz BZQDHNYLKQYHBU-CQSZACIVSA-N 1 3 239.407 1.450 20 0 BDADHO CC(C)(C[NH3+])NC(=O)C[C@H]1NCc2ccccc21 ZINC000659297943 411390062 /nfs/dbraw/zinc/39/00/62/411390062.db2.gz NOQRBBHMRLHPMM-GFCCVEGCSA-N 1 3 247.342 1.075 20 0 BDADHO CC(C)OCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404360397 411391473 /nfs/dbraw/zinc/39/14/73/411391473.db2.gz DYDWUVATLQFHTA-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404360397 411391476 /nfs/dbraw/zinc/39/14/76/411391476.db2.gz DYDWUVATLQFHTA-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404360397 411391480 /nfs/dbraw/zinc/39/14/80/411391480.db2.gz DYDWUVATLQFHTA-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCN(C)C ZINC000356946605 168301772 /nfs/dbraw/zinc/30/17/72/168301772.db2.gz ZTMMZLIAPSIYQK-LLVKDONJSA-N 1 3 243.395 1.173 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)[C@@H]1CCN ZINC000404409883 411394187 /nfs/dbraw/zinc/39/41/87/411394187.db2.gz BYPHBYIXBKEEHY-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)[C@@H]1CCN ZINC000404409883 411394188 /nfs/dbraw/zinc/39/41/88/411394188.db2.gz BYPHBYIXBKEEHY-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CC)C2)CO1 ZINC000657315447 411461435 /nfs/dbraw/zinc/46/14/35/411461435.db2.gz NCJXATCQGSXEBI-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](CC)C2)CO1 ZINC000657315447 411461438 /nfs/dbraw/zinc/46/14/38/411461438.db2.gz NCJXATCQGSXEBI-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315447 411461440 /nfs/dbraw/zinc/46/14/40/411461440.db2.gz NCJXATCQGSXEBI-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CCCCCN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405369452 411426461 /nfs/dbraw/zinc/42/64/61/411426461.db2.gz INSKAWWMMKRKNY-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CCCCC[N@@H+]1C[C@@H](CN)[C@H](OCC)C1 ZINC000405369452 411426462 /nfs/dbraw/zinc/42/64/62/411426462.db2.gz INSKAWWMMKRKNY-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CCCCC[N@H+]1C[C@@H](CN)[C@H](OCC)C1 ZINC000405369452 411426464 /nfs/dbraw/zinc/42/64/64/411426464.db2.gz INSKAWWMMKRKNY-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H]1C[C@@H]([NH2+]CCCN(CC)CC)CO1 ZINC000657285272 411444878 /nfs/dbraw/zinc/44/48/78/411444878.db2.gz AUWVIRJBRMBBOI-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H](N)c1ccccc1 ZINC000414824618 411447788 /nfs/dbraw/zinc/44/77/88/411447788.db2.gz BACRLGUDSUXMRU-VHDGCEQUSA-N 1 3 247.386 1.807 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H](N)c1ccccc1 ZINC000414824619 411448492 /nfs/dbraw/zinc/44/84/92/411448492.db2.gz BACRLGUDSUXMRU-YUELXQCFSA-N 1 3 247.386 1.807 20 0 BDADHO CC[NH+]1CCC(CNCc2nc(C)c[nH]2)CC1 ZINC000657346742 411470249 /nfs/dbraw/zinc/47/02/49/411470249.db2.gz HUDDJEASPQTAAV-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000659850906 411477459 /nfs/dbraw/zinc/47/74/59/411477459.db2.gz WONXYAVVUSYQHF-MGPQQGTHSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1Cc2ccccc2[C@H]1NCCC[NH3+] ZINC000415089124 411491203 /nfs/dbraw/zinc/49/12/03/411491203.db2.gz MTEUZNRLPABENH-MFKMUULPSA-N 1 3 204.317 1.858 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803879 411518729 /nfs/dbraw/zinc/51/87/29/411518729.db2.gz GWFRJLSBNHOUFF-WUHRBBMRSA-N 1 3 248.374 1.819 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1[C@@H](C)CC[C@@H]1C ZINC000660000699 411526106 /nfs/dbraw/zinc/52/61/06/411526106.db2.gz ZIIAOJGCRANBCX-AVGNSLFASA-N 1 3 228.380 1.560 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1[C@@H](C)CC[C@@H]1C ZINC000660000699 411526108 /nfs/dbraw/zinc/52/61/08/411526108.db2.gz ZIIAOJGCRANBCX-AVGNSLFASA-N 1 3 228.380 1.560 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccncc2F)C1 ZINC000655824591 411526767 /nfs/dbraw/zinc/52/67/67/411526767.db2.gz NDALKOVYBPBQMJ-KLPPZKSPSA-N 1 3 237.322 1.651 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000037484295 170007932 /nfs/dbraw/zinc/00/79/32/170007932.db2.gz KOYDZILJWICUSS-NSHDSACASA-N 1 3 228.405 1.813 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)OC)C[C@H]1C ZINC000362183646 170009733 /nfs/dbraw/zinc/00/97/33/170009733.db2.gz PWANSSTZAJVPHL-VXGBXAGGSA-N 1 3 242.363 1.354 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)OC)C[C@H]1C ZINC000362183646 170009734 /nfs/dbraw/zinc/00/97/34/170009734.db2.gz PWANSSTZAJVPHL-VXGBXAGGSA-N 1 3 242.363 1.354 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328440711 170010525 /nfs/dbraw/zinc/01/05/25/170010525.db2.gz MJWXFPQWAMTDLR-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000336712201 170019494 /nfs/dbraw/zinc/01/94/94/170019494.db2.gz RPLOZQBBNNFJSL-RDBSUJKOSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000336712201 170019496 /nfs/dbraw/zinc/01/94/96/170019496.db2.gz RPLOZQBBNNFJSL-RDBSUJKOSA-N 1 3 240.391 1.828 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)C(C)(C)N)c1 ZINC000131639889 170128075 /nfs/dbraw/zinc/12/80/75/170128075.db2.gz DQONHUTXYQEUML-UHFFFAOYSA-N 1 3 235.331 1.472 20 0 BDADHO C(N[C@H]1CCOC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345930 411632594 /nfs/dbraw/zinc/63/25/94/411632594.db2.gz PDOPOQKHZXNFIN-KBPBESRZSA-N 1 3 238.375 1.487 20 0 BDADHO C(N[C@H]1CCOC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345930 411632601 /nfs/dbraw/zinc/63/26/01/411632601.db2.gz PDOPOQKHZXNFIN-KBPBESRZSA-N 1 3 238.375 1.487 20 0 BDADHO C([NH2+][C@H]1CCOC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663345930 411632606 /nfs/dbraw/zinc/63/26/06/411632606.db2.gz PDOPOQKHZXNFIN-KBPBESRZSA-N 1 3 238.375 1.487 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000657842014 411609746 /nfs/dbraw/zinc/60/97/46/411609746.db2.gz SHWPLYKPDVQJAR-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@H]2COC3(CCC3)C2)C1 ZINC000657842014 411609748 /nfs/dbraw/zinc/60/97/48/411609748.db2.gz SHWPLYKPDVQJAR-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@H]2COC3(CCC3)C2)C1 ZINC000657842014 411609751 /nfs/dbraw/zinc/60/97/51/411609751.db2.gz SHWPLYKPDVQJAR-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO COCCCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659800 411614072 /nfs/dbraw/zinc/61/40/72/411614072.db2.gz RIJTUUWEPTZYES-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659800 411614074 /nfs/dbraw/zinc/61/40/74/411614074.db2.gz RIJTUUWEPTZYES-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO C([NH2+]CC12CC(C1)CN2)[C@@H]1CCSC1 ZINC000663500495 411682900 /nfs/dbraw/zinc/68/29/00/411682900.db2.gz KTRVBZFTDUOLQV-WHXUTIOJSA-N 1 3 212.362 1.081 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CO)C1CCC1 ZINC000661152235 411720739 /nfs/dbraw/zinc/72/07/39/411720739.db2.gz XAMLYFKBKXCECF-OLZOCXBDSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H](CO)C1CCC1 ZINC000661152235 411720743 /nfs/dbraw/zinc/72/07/43/411720743.db2.gz XAMLYFKBKXCECF-OLZOCXBDSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H](CO)C1CCC1 ZINC000661152235 411720747 /nfs/dbraw/zinc/72/07/47/411720747.db2.gz XAMLYFKBKXCECF-OLZOCXBDSA-N 1 3 226.364 1.221 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccnc(N)c2)CC1 ZINC000518375432 411900627 /nfs/dbraw/zinc/90/06/27/411900627.db2.gz AQEIJGZKGKACRY-UHFFFAOYSA-N 1 3 234.347 1.095 20 0 BDADHO [NH3+]C1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000132428425 411939453 /nfs/dbraw/zinc/93/94/53/411939453.db2.gz MVUWSUYYAONVRI-GFCCVEGCSA-N 1 3 246.354 1.976 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139321 412001236 /nfs/dbraw/zinc/00/12/36/412001236.db2.gz ATYGBXMJHXKGHU-UONOGXRCSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139321 412001237 /nfs/dbraw/zinc/00/12/37/412001237.db2.gz ATYGBXMJHXKGHU-UONOGXRCSA-N 1 3 242.407 1.669 20 0 BDADHO CC[C@@H](C)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154588 412008034 /nfs/dbraw/zinc/00/80/34/412008034.db2.gz XWJKJPPHAQBTSO-TZMCWYRMSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H](C)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154588 412008036 /nfs/dbraw/zinc/00/80/36/412008036.db2.gz XWJKJPPHAQBTSO-TZMCWYRMSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951932 /nfs/dbraw/zinc/95/19/32/411951932.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951935 /nfs/dbraw/zinc/95/19/35/411951935.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951937 /nfs/dbraw/zinc/95/19/37/411951937.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662034518 411951940 /nfs/dbraw/zinc/95/19/40/411951940.db2.gz NPRIXJHNLGYKKI-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@H](N)C1)C1CCCC1 ZINC000662235776 412033851 /nfs/dbraw/zinc/03/38/51/412033851.db2.gz SNCYKTGVRYRADU-QWHCGFSZSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@H](N)C1)C1CCCC1 ZINC000662235776 412033854 /nfs/dbraw/zinc/03/38/54/412033854.db2.gz SNCYKTGVRYRADU-QWHCGFSZSA-N 1 3 226.364 1.615 20 0 BDADHO CNC[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662238160 412034276 /nfs/dbraw/zinc/03/42/76/412034276.db2.gz NPOVXQSAFIAVCE-CYBMUJFWSA-N 1 3 208.349 1.884 20 0 BDADHO CNC[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662238160 412034281 /nfs/dbraw/zinc/03/42/81/412034281.db2.gz NPOVXQSAFIAVCE-CYBMUJFWSA-N 1 3 208.349 1.884 20 0 BDADHO CC[C@@H]1CC[C@@H]1[NH2+]CCOCCN(C)C ZINC000336758352 171042823 /nfs/dbraw/zinc/04/28/23/171042823.db2.gz JPSGBGVTTXJTPO-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919014 171084675 /nfs/dbraw/zinc/08/46/75/171084675.db2.gz SKOPBCDZCMFLMP-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1nc([C@@H](C)N2CCC3(CC[NH2+]C3)CC2)n[nH]1 ZINC000662274078 412065109 /nfs/dbraw/zinc/06/51/09/412065109.db2.gz QUXWOGLMNWKUMK-SNVBAGLBSA-N 1 3 249.362 1.250 20 0 BDADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662280443 412071052 /nfs/dbraw/zinc/07/10/52/412071052.db2.gz DNPZAIXKCHWEHI-SRVKXCTJSA-N 1 3 226.364 1.532 20 0 BDADHO CC1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662280437 412071369 /nfs/dbraw/zinc/07/13/69/412071369.db2.gz DNAWVCROTLGIQO-NEPJUHHUSA-N 1 3 238.375 1.676 20 0 BDADHO CC[C@H](C)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000304496340 171281272 /nfs/dbraw/zinc/28/12/72/171281272.db2.gz CERHYWJVOMMFPP-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000226397005 171306054 /nfs/dbraw/zinc/30/60/54/171306054.db2.gz UKCBVXYRCAVIJW-WDEREUQCSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000226397005 171306056 /nfs/dbraw/zinc/30/60/56/171306056.db2.gz UKCBVXYRCAVIJW-WDEREUQCSA-N 1 3 243.395 1.206 20 0 BDADHO C[N@H+](CCCc1ccncc1)CC(C)(C)N ZINC000662295372 412084774 /nfs/dbraw/zinc/08/47/74/412084774.db2.gz QRGGMTGIBRVHAW-UHFFFAOYSA-N 1 3 221.348 1.683 20 0 BDADHO C[N@@H+](CCCc1ccncc1)CC(C)(C)N ZINC000662295372 412084779 /nfs/dbraw/zinc/08/47/79/412084779.db2.gz QRGGMTGIBRVHAW-UHFFFAOYSA-N 1 3 221.348 1.683 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@H](C)C1 ZINC000662297030 412085194 /nfs/dbraw/zinc/08/51/94/412085194.db2.gz XXWOWBXOVQGASQ-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@H](C)C1 ZINC000662297030 412085198 /nfs/dbraw/zinc/08/51/98/412085198.db2.gz XXWOWBXOVQGASQ-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO CN(CCCc1cncn1C)CC(C)(C)[NH3+] ZINC000662292872 412081078 /nfs/dbraw/zinc/08/10/78/412081078.db2.gz BKGPHPRSUJLTNE-UHFFFAOYSA-N 1 3 224.352 1.022 20 0 BDADHO Cn1cncc1CCC[N@H+](C)CC(C)(C)N ZINC000662292872 412081080 /nfs/dbraw/zinc/08/10/80/412081080.db2.gz BKGPHPRSUJLTNE-UHFFFAOYSA-N 1 3 224.352 1.022 20 0 BDADHO Cn1cncc1CCC[N@@H+](C)CC(C)(C)N ZINC000662292872 412081084 /nfs/dbraw/zinc/08/10/84/412081084.db2.gz BKGPHPRSUJLTNE-UHFFFAOYSA-N 1 3 224.352 1.022 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)OC ZINC000362978261 171393152 /nfs/dbraw/zinc/39/31/52/171393152.db2.gz YMLQHEXXNIYWJP-RNJOBUHISA-N 1 3 228.380 1.765 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCCC[NH+](CC)CC ZINC000019478876 171394315 /nfs/dbraw/zinc/39/43/15/171394315.db2.gz DYKBKXPSEYKRHW-RYUDHWBXSA-N 1 3 243.395 1.208 20 0 BDADHO CN(c1ccccc1)[C@@H]1CCN(CCC[NH3+])C1 ZINC000662314662 412096405 /nfs/dbraw/zinc/09/64/05/412096405.db2.gz AJGZYUPCZQGDDW-CQSZACIVSA-N 1 3 233.359 1.546 20 0 BDADHO C[C@H]1C[C@H](NC2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235906 412175689 /nfs/dbraw/zinc/17/56/89/412175689.db2.gz CCNSCEVCVDNHIR-XKGSQUFQSA-N 1 3 249.362 1.391 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H]1C[C@@H](C)n2ncnc21 ZINC000665236053 412175808 /nfs/dbraw/zinc/17/58/08/412175808.db2.gz GJHFSNQFJQHFGD-GMTAPVOTSA-N 1 3 237.351 1.391 20 0 BDADHO CC[C@@H](COCC1CC1)N[C@H](C)C1C[NH2+]C1 ZINC000665236059 412176219 /nfs/dbraw/zinc/17/62/19/412176219.db2.gz GKGRIOWAXINQQC-MFKMUULPSA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@@H](COCC1CC1)[NH2+][C@H](C)C1CNC1 ZINC000665236059 412176225 /nfs/dbraw/zinc/17/62/25/412176225.db2.gz GKGRIOWAXINQQC-MFKMUULPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCN(C(C)(C)C)C1 ZINC000665236629 412176930 /nfs/dbraw/zinc/17/69/30/412176930.db2.gz QXFRTRHUONGNBT-AGIUHOORSA-N 1 3 239.407 1.447 20 0 BDADHO CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000665237511 412178100 /nfs/dbraw/zinc/17/81/00/412178100.db2.gz CDDKAPGRRLPIGE-WUHRBBMRSA-N 1 3 228.380 1.765 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000665239619 412179688 /nfs/dbraw/zinc/17/96/88/412179688.db2.gz WAABFBOXAZDVAD-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000665239619 412179692 /nfs/dbraw/zinc/17/96/92/412179692.db2.gz WAABFBOXAZDVAD-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccncc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000665238936 412180627 /nfs/dbraw/zinc/18/06/27/412180627.db2.gz HWIINIHWSSBDAT-NSHDSACASA-N 1 3 219.332 1.130 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H](C)C1CNC1 ZINC000665238936 412180630 /nfs/dbraw/zinc/18/06/30/412180630.db2.gz HWIINIHWSSBDAT-NSHDSACASA-N 1 3 219.332 1.130 20 0 BDADHO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CCCCN1 ZINC000665244246 412185587 /nfs/dbraw/zinc/18/55/87/412185587.db2.gz JQPQULKEJMXKHL-MXWKQRLJSA-N 1 3 248.317 1.531 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCO[C@@H]1CC1(F)F ZINC000665244105 412186489 /nfs/dbraw/zinc/18/64/89/412186489.db2.gz GHKORFPYRRPIRF-DJLDLDEBSA-N 1 3 222.279 1.126 20 0 BDADHO CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000665244513 412188423 /nfs/dbraw/zinc/18/84/23/412188423.db2.gz PILAFLIPZYKKBG-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000665266734 412210734 /nfs/dbraw/zinc/21/07/34/412210734.db2.gz IKGLKMSVBMAEME-UBHSHLNASA-N 1 3 240.391 1.909 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000665230967 412167219 /nfs/dbraw/zinc/16/72/19/412167219.db2.gz ZMGICQZRBJOSTJ-QZQSVVMZSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1ccccn1 ZINC000665232952 412172726 /nfs/dbraw/zinc/17/27/26/412172726.db2.gz YHDOLIWAEJBFTI-MBNYWOFBSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000665232952 412172729 /nfs/dbraw/zinc/17/27/29/412172729.db2.gz YHDOLIWAEJBFTI-MBNYWOFBSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235830 412173637 /nfs/dbraw/zinc/17/36/37/412173637.db2.gz ARQDEEPOWXUDJL-ZYHUDNBSSA-N 1 3 225.380 1.057 20 0 BDADHO OC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000665235156 412174285 /nfs/dbraw/zinc/17/42/85/412174285.db2.gz QNLYFXMNCSELCU-ZGVCCVRISA-N 1 3 224.348 1.020 20 0 BDADHO CCCN1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274247 412218160 /nfs/dbraw/zinc/21/81/60/412218160.db2.gz MGQZTSFFPDPSFV-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C1CCCC1 ZINC000665275271 412218816 /nfs/dbraw/zinc/21/88/16/412218816.db2.gz GLCOPAVVXMGGQT-BFHYXJOUSA-N 1 3 240.391 1.909 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662565611 412221043 /nfs/dbraw/zinc/22/10/43/412221043.db2.gz DRDWNWMHKJRWAO-YPMHNXCESA-N 1 3 247.342 1.075 20 0 BDADHO COC[C@@H]([NH2+]CC12CC(C1)CN2)C1CCCC1 ZINC000665278608 412221308 /nfs/dbraw/zinc/22/13/08/412221308.db2.gz JYLVSHOCPPDQNC-HRDQMINSSA-N 1 3 238.375 1.533 20 0 BDADHO CCN1CCCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608864 412239870 /nfs/dbraw/zinc/23/98/70/412239870.db2.gz QPCKYJDBKWOEMN-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CCn1cc(CN2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000111612350 172162182 /nfs/dbraw/zinc/16/21/82/172162182.db2.gz UELLOLBFUHDLTO-NSHDSACASA-N 1 3 236.363 1.462 20 0 BDADHO CCn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310767135 172164157 /nfs/dbraw/zinc/16/41/57/172164157.db2.gz CBHLPQCEQHSPKG-OKILXGFUSA-N 1 3 248.374 1.334 20 0 BDADHO CCn1ccnc1CNC1CCC([NH3+])CC1 ZINC000051924379 172223776 /nfs/dbraw/zinc/22/37/76/172223776.db2.gz IPFPGYXKOMDRDZ-UHFFFAOYSA-N 1 3 222.336 1.263 20 0 BDADHO CN1CCN(CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000036998842 173078269 /nfs/dbraw/zinc/07/82/69/173078269.db2.gz RHFCHTDSWBCCCX-HNNXBMFYSA-N 1 3 247.386 1.714 20 0 BDADHO Cn1ccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292866986 173141243 /nfs/dbraw/zinc/14/12/43/173141243.db2.gz VXJWUKPGCIQINF-CQSZACIVSA-N 1 3 233.359 1.553 20 0 BDADHO Cn1ccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292866986 173141245 /nfs/dbraw/zinc/14/12/45/173141245.db2.gz VXJWUKPGCIQINF-CQSZACIVSA-N 1 3 233.359 1.553 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCc2cccs2)C1 ZINC000011891975 173370422 /nfs/dbraw/zinc/37/04/22/173370422.db2.gz IZDRBPYUYFSLJK-NSHDSACASA-N 1 3 224.373 1.832 20 0 BDADHO CNCc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000237232272 173389548 /nfs/dbraw/zinc/38/95/48/173389548.db2.gz BKWFGDTVWZDENC-RYUDHWBXSA-N 1 3 247.342 1.472 20 0 BDADHO CC(C)COCC[N@@H+]1CCC[C@@H](C)[C@@H]1CN ZINC000232660152 487627540 /nfs/dbraw/zinc/62/75/40/487627540.db2.gz MZEBVXMZNIOXST-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)COCC[N@H+]1CCC[C@@H](C)[C@@H]1CN ZINC000232660152 487627548 /nfs/dbraw/zinc/62/75/48/487627548.db2.gz MZEBVXMZNIOXST-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO COC1CC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000300214962 174019969 /nfs/dbraw/zinc/01/99/69/174019969.db2.gz ALDXNUPTUNRCHO-QCXCNERSSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000300214962 174019970 /nfs/dbraw/zinc/01/99/70/174019970.db2.gz ALDXNUPTUNRCHO-QCXCNERSSA-N 1 3 224.348 1.380 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@@H](C)CN(C)C ZINC000308965972 174072750 /nfs/dbraw/zinc/07/27/50/174072750.db2.gz VPZOQBILRWNGLN-LLVKDONJSA-N 1 3 216.369 1.446 20 0 BDADHO COCCCCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000336745062 174179480 /nfs/dbraw/zinc/17/94/80/174179480.db2.gz QMJXUTWMQSSCLL-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000336745062 174179482 /nfs/dbraw/zinc/17/94/82/174179482.db2.gz QMJXUTWMQSSCLL-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367218149 174216595 /nfs/dbraw/zinc/21/65/95/174216595.db2.gz QUHDBQBMUURYOA-FUNVUKJBSA-N 1 3 226.364 1.580 20 0 BDADHO COCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367218149 174216597 /nfs/dbraw/zinc/21/65/97/174216597.db2.gz QUHDBQBMUURYOA-FUNVUKJBSA-N 1 3 226.364 1.580 20 0 BDADHO COCC[N@H+](C)CCCNCc1cccn1C ZINC000161635336 174275882 /nfs/dbraw/zinc/27/58/82/174275882.db2.gz KECWNILJWGNVMC-UHFFFAOYSA-N 1 3 239.363 1.083 20 0 BDADHO COCC[N@@H+](C)CCCNCc1cccn1C ZINC000161635336 174275883 /nfs/dbraw/zinc/27/58/83/174275883.db2.gz KECWNILJWGNVMC-UHFFFAOYSA-N 1 3 239.363 1.083 20 0 BDADHO COCC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000045018355 174383334 /nfs/dbraw/zinc/38/33/34/174383334.db2.gz DFVHZUPZPYHQCO-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000234965541 174765174 /nfs/dbraw/zinc/76/51/74/174765174.db2.gz NKDGOGYIFYUITE-YVECIDJPSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)N ZINC000040920151 176070872 /nfs/dbraw/zinc/07/08/72/176070872.db2.gz CYBUXGHQQNBAOZ-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)N ZINC000040920151 176070873 /nfs/dbraw/zinc/07/08/73/176070873.db2.gz CYBUXGHQQNBAOZ-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1CCC[N@H+](CCN2CCNCC2)[C@@H]1C ZINC000050564926 176097572 /nfs/dbraw/zinc/09/75/72/176097572.db2.gz WYTNEESEYFHTRX-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCN2CCNCC2)[C@@H]1C ZINC000050564926 176097574 /nfs/dbraw/zinc/09/75/74/176097574.db2.gz WYTNEESEYFHTRX-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H](C1CC1)N(C)C ZINC000360417907 176271416 /nfs/dbraw/zinc/27/14/16/176271416.db2.gz VWHCZMKWABGXSK-MRVWCRGKSA-N 1 3 239.407 1.256 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358412121 176274141 /nfs/dbraw/zinc/27/41/41/176274141.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358412121 176274143 /nfs/dbraw/zinc/27/41/43/176274143.db2.gz XZKSRGJISUASFM-RQJABVFESA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000226005215 176294808 /nfs/dbraw/zinc/29/48/08/176294808.db2.gz PRXNNBAHHAVDAE-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH3+])CN1Cc1ccccc1 ZINC000309960588 176375450 /nfs/dbraw/zinc/37/54/50/176375450.db2.gz YEJDTUDZWWPDOO-UKRRQHHQSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@@H](CO)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678043260 487635377 /nfs/dbraw/zinc/63/53/77/487635377.db2.gz ACBLEKYSOAQDEA-KGLIPLIRSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@H](CO)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000678043260 487635381 /nfs/dbraw/zinc/63/53/81/487635381.db2.gz ACBLEKYSOAQDEA-KGLIPLIRSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@H](CO)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000678043260 487635384 /nfs/dbraw/zinc/63/53/84/487635384.db2.gz ACBLEKYSOAQDEA-KGLIPLIRSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@H](c1ccncc1)N1CCC(C[NH3+])CC1 ZINC000044511632 177051655 /nfs/dbraw/zinc/05/16/55/177051655.db2.gz BAUXKNZIPVQQKR-LLVKDONJSA-N 1 3 219.332 1.813 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCSCC1 ZINC000335639492 177175760 /nfs/dbraw/zinc/17/57/60/177175760.db2.gz VIGJXCBXGJZTJB-GXSJLCMTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C)CN(C)C ZINC000336722171 177239381 /nfs/dbraw/zinc/23/93/81/177239381.db2.gz STRKIVJOUIRNCD-ZOBORPQBSA-N 1 3 241.423 1.502 20 0 BDADHO C[C@@H]1CO[C@@H](C)CN1CCC1CC[NH2+]CC1 ZINC000035786780 177246378 /nfs/dbraw/zinc/24/63/78/177246378.db2.gz NQPUKESXVSIXMQ-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[N@H+](CC[C@@H]2CCCCN2C)CCCO1 ZINC000336339498 177254353 /nfs/dbraw/zinc/25/43/53/177254353.db2.gz DMCIAUJLENBEFD-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H]1C[N@@H+](CC[C@@H]2CCCCN2C)CCCO1 ZINC000336339498 177254354 /nfs/dbraw/zinc/25/43/54/177254354.db2.gz DMCIAUJLENBEFD-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H]1C[C@H](C)CN(C(C)(C)CNC(N)=[NH2+])C1 ZINC000303252846 177357521 /nfs/dbraw/zinc/35/75/21/177357521.db2.gz CCHHICYQEBFFCK-UWVGGRQHSA-N 1 3 226.368 1.226 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc2c(c1)CCO2 ZINC000216070106 177361253 /nfs/dbraw/zinc/36/12/53/177361253.db2.gz LBUWMSSAESGWPW-WCQYABFASA-N 1 3 246.354 1.791 20 0 BDADHO C[C@H]1C[C@H](CN(C)Cc2cccnc2)CC[NH2+]1 ZINC000235659929 177361265 /nfs/dbraw/zinc/36/12/65/177361265.db2.gz ZRBXBSPSLCKLNR-QWHCGFSZSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)CN(C)C ZINC000336714746 177370181 /nfs/dbraw/zinc/37/01/81/177370181.db2.gz WEBKYTOZJAVIGZ-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CCOCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087325961 487641133 /nfs/dbraw/zinc/64/11/33/487641133.db2.gz IUBKRRVESYVQJA-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000400562500 226346192 /nfs/dbraw/zinc/34/61/92/226346192.db2.gz IAOIYJJKTMDZLR-NTZNESFSSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@@H]1CN(CCCc2cncn2C)CC[C@H]1[NH3+] ZINC000314012296 487656845 /nfs/dbraw/zinc/65/68/45/487656845.db2.gz NVYKCWYPSUMGSX-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO CN(CCCc1cncn1C)C1(C[NH3+])CCC1 ZINC000314941894 487670341 /nfs/dbraw/zinc/67/03/41/487670341.db2.gz SGZAEWWMUKLKBL-UHFFFAOYSA-N 1 3 236.363 1.166 20 0 BDADHO CC(C)[C@H]1CCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756123 487670601 /nfs/dbraw/zinc/67/06/01/487670601.db2.gz KPTIDDAUEIVKHL-UONOGXRCSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[C@H]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756123 487670607 /nfs/dbraw/zinc/67/06/07/487670607.db2.gz KPTIDDAUEIVKHL-UONOGXRCSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C)[C@@H]1C ZINC000383805611 487675055 /nfs/dbraw/zinc/67/50/55/487675055.db2.gz UJKFXEMXYMNACD-HZSPNIEDSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](C)[C@@H]1C ZINC000383805611 487675061 /nfs/dbraw/zinc/67/50/61/487675061.db2.gz UJKFXEMXYMNACD-HZSPNIEDSA-N 1 3 242.407 1.808 20 0 BDADHO C[C@H](CC(=O)N(C)C)[NH2+]CC1(N)CCCCC1 ZINC000414837993 487694306 /nfs/dbraw/zinc/69/43/06/487694306.db2.gz HXNVJWCFEVWXCU-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CCOc1ccc(C[NH2+][C@@H](C)CN)cc1OC ZINC000414950823 487774315 /nfs/dbraw/zinc/77/43/15/487774315.db2.gz IFPSZTNFWSROJG-JTQLQIEISA-N 1 3 238.331 1.531 20 0 BDADHO CCC[C@H](C)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309256101 487808500 /nfs/dbraw/zinc/80/85/00/487808500.db2.gz OGMNRBBAFKUGAK-STQMWFEESA-N 1 3 230.396 1.808 20 0 BDADHO CCC[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309256101 487808503 /nfs/dbraw/zinc/80/85/03/487808503.db2.gz OGMNRBBAFKUGAK-STQMWFEESA-N 1 3 230.396 1.808 20 0 BDADHO CC(C)C[C@]1(CO)CCC[N@@H+]1CCCN ZINC000414751565 487822005 /nfs/dbraw/zinc/82/20/05/487822005.db2.gz APNTYRYTDFMHRD-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO CC(C)C[C@]1(CO)CCC[N@H+]1CCCN ZINC000414751565 487822012 /nfs/dbraw/zinc/82/20/12/487822012.db2.gz APNTYRYTDFMHRD-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO Nc1ccc2c(c1)CCC[C@@H]2NCCC[NH3+] ZINC000414921586 487828985 /nfs/dbraw/zinc/82/89/85/487828985.db2.gz DWEGNFIZMAROFR-ZDUSSCGKSA-N 1 3 219.332 1.585 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CCOc3ccccc32)C1 ZINC000252831263 487834980 /nfs/dbraw/zinc/83/49/80/487834980.db2.gz MDVFFIBNXHSSDB-QWHCGFSZSA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252831263 487834982 /nfs/dbraw/zinc/83/49/82/487834982.db2.gz MDVFFIBNXHSSDB-QWHCGFSZSA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252831263 487834989 /nfs/dbraw/zinc/83/49/89/487834989.db2.gz MDVFFIBNXHSSDB-QWHCGFSZSA-N 1 3 246.354 1.833 20 0 BDADHO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCCN ZINC000415087492 487836210 /nfs/dbraw/zinc/83/62/10/487836210.db2.gz UTILGZVJDYQNIW-VXGBXAGGSA-N 1 3 228.380 1.766 20 0 BDADHO Cc1cccc(OC[C@@H](C)NCCC[NH3+])c1 ZINC000415082534 487836331 /nfs/dbraw/zinc/83/63/31/487836331.db2.gz ONNBOVNSFSYKBJ-GFCCVEGCSA-N 1 3 222.332 1.701 20 0 BDADHO CSC[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000127340954 590624295 /nfs/dbraw/zinc/62/42/95/590624295.db2.gz WTCCKLXRAJHOCC-VHSXEESVSA-N 1 3 202.367 1.470 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000127340954 590624297 /nfs/dbraw/zinc/62/42/97/590624297.db2.gz WTCCKLXRAJHOCC-VHSXEESVSA-N 1 3 202.367 1.470 20 0 BDADHO CC(C)([NH3+])CC(=O)NCCN1CCCCCC1 ZINC000084183951 487868346 /nfs/dbraw/zinc/86/83/46/487868346.db2.gz ACTQPSUQCNRJDF-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CC[C@@H]([NH3+])CNC[C@H]1CCOc2ccccc21 ZINC000666910458 487901223 /nfs/dbraw/zinc/90/12/23/487901223.db2.gz PBWLQCZWHXQESP-VXGBXAGGSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995022 487925248 /nfs/dbraw/zinc/92/52/48/487925248.db2.gz AJPUQLYFYVDWIY-OLZOCXBDSA-N 1 3 248.374 1.536 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995022 487925253 /nfs/dbraw/zinc/92/52/53/487925253.db2.gz AJPUQLYFYVDWIY-OLZOCXBDSA-N 1 3 248.374 1.536 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)[C@H](C)C1 ZINC000134645628 323025119 /nfs/dbraw/zinc/02/51/19/323025119.db2.gz SUIYHDNQDAJEAX-XJFOESAGSA-N 1 3 238.375 1.243 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000572986029 323039991 /nfs/dbraw/zinc/03/99/91/323039991.db2.gz ZEEXCXJFRVHSSL-RYUDHWBXSA-N 1 3 222.332 1.990 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000570330399 323056480 /nfs/dbraw/zinc/05/64/80/323056480.db2.gz QTJOEPKAMSBBDK-LDYMZIIASA-N 1 3 221.304 1.382 20 0 BDADHO CC[C@@H]([NH2+]CCCNC(C)C)[C@H]1CCOC1 ZINC000570562026 323063213 /nfs/dbraw/zinc/06/32/13/323063213.db2.gz HDLXEQIRPWFMDR-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC000570722174 323068733 /nfs/dbraw/zinc/06/87/33/323068733.db2.gz CPRSHQBCQKHOFB-GHMZBOCLSA-N 1 3 249.358 1.214 20 0 BDADHO Cc1cc(CN[C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000391165266 323099449 /nfs/dbraw/zinc/09/94/49/323099449.db2.gz OTNLDHNSMAMALE-KGLIPLIRSA-N 1 3 233.359 1.997 20 0 BDADHO Cc1cnccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000530220214 323218385 /nfs/dbraw/zinc/21/83/85/323218385.db2.gz MJKSTANYNKJIOP-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO CC[NH2+]CCCN[C@H](COC)CC(C)C ZINC000572147818 323546368 /nfs/dbraw/zinc/54/63/68/323546368.db2.gz NUUQMTMJWCCPTL-LBPRGKRZSA-N 1 3 216.369 1.637 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@]2(C)CC[NH2+]C2)O1 ZINC000398092999 324216521 /nfs/dbraw/zinc/21/65/21/324216521.db2.gz STEAIXBAGZVLQO-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209510 324525480 /nfs/dbraw/zinc/52/54/80/324525480.db2.gz IHGSWZYHRBWPAF-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)OC1CCC([NH2+][C@H](C)C2CNC2)CC1 ZINC000530216234 324532774 /nfs/dbraw/zinc/53/27/74/324532774.db2.gz OLPUWQJNAUTGTJ-LMWSTFAQSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H](CN(C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130126559 325014832 /nfs/dbraw/zinc/01/48/32/325014832.db2.gz VFEZPABTLHQQFR-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN(C)C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130126559 325014834 /nfs/dbraw/zinc/01/48/34/325014834.db2.gz VFEZPABTLHQQFR-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO COCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860165 325317776 /nfs/dbraw/zinc/31/77/76/325317776.db2.gz VFKBRDPFNPTBIW-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO COCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860165 325317778 /nfs/dbraw/zinc/31/77/78/325317778.db2.gz VFKBRDPFNPTBIW-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CCN1CCN(CCC[NH2+]CC2(C)CC2)CC1 ZINC000565810071 325959312 /nfs/dbraw/zinc/95/93/12/325959312.db2.gz OHLSROKCQSLAIP-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO NCC12CCC(CC1)C[N@@H+]2CCc1cccnc1 ZINC000566480381 326055378 /nfs/dbraw/zinc/05/53/78/326055378.db2.gz PPAUTVCDUNOUBD-UHFFFAOYSA-N 1 3 245.370 1.827 20 0 BDADHO NCC12CCC(CC1)C[N@H+]2CCc1cccnc1 ZINC000566480381 326055381 /nfs/dbraw/zinc/05/53/81/326055381.db2.gz PPAUTVCDUNOUBD-UHFFFAOYSA-N 1 3 245.370 1.827 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)nnn2C ZINC000567871002 326274224 /nfs/dbraw/zinc/27/42/24/326274224.db2.gz FIBOMCBJKVPORA-UWVGGRQHSA-N 1 3 247.346 1.184 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247694 326333670 /nfs/dbraw/zinc/33/36/70/326333670.db2.gz UHUVTAWXTFFFBD-STQMWFEESA-N 1 3 248.374 1.743 20 0 BDADHO CC(C)[NH2+]CCCNC(=O)C1(N)CCCCC1 ZINC000568371231 326350643 /nfs/dbraw/zinc/35/06/43/326350643.db2.gz PMDAODSUTQEIHI-UHFFFAOYSA-N 1 3 241.379 1.152 20 0 BDADHO C[C@@H](C[NH2+]CC1(O)CCC1)CN1CCCC1 ZINC000568991045 326385401 /nfs/dbraw/zinc/38/54/01/326385401.db2.gz IGMOLDRQDWHFLS-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@@H](CNCC1(O)CCC1)C[NH+]1CCCC1 ZINC000568991045 326385402 /nfs/dbraw/zinc/38/54/02/326385402.db2.gz IGMOLDRQDWHFLS-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CN(C)Cc1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000084168049 488032193 /nfs/dbraw/zinc/03/21/93/488032193.db2.gz XSJOWUJDVUTDAF-UHFFFAOYSA-N 1 3 249.358 1.814 20 0 BDADHO CNC[C@@H](C)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000663510134 488055273 /nfs/dbraw/zinc/05/52/73/488055273.db2.gz CJQGLKYOBPNFMQ-NWDGAFQWSA-N 1 3 238.379 1.593 20 0 BDADHO CC[C@H](N[C@H](C)C1C[NH2+]C1)[C@H]1CCCCO1 ZINC000656200608 488066242 /nfs/dbraw/zinc/06/62/42/488066242.db2.gz BBTUVTADGSHAGN-KGYLQXTDSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H]([NH2+][C@H](C)C1CNC1)[C@H]1CCCCO1 ZINC000656200608 488066246 /nfs/dbraw/zinc/06/62/46/488066246.db2.gz BBTUVTADGSHAGN-KGYLQXTDSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](NCc1ccn(C)n1)C1CC[NH+](C)CC1 ZINC000213195000 488100466 /nfs/dbraw/zinc/10/04/66/488100466.db2.gz ZHRVAFBDPWPQGN-NSHDSACASA-N 1 3 236.363 1.240 20 0 BDADHO C[C@@H](NCc1ccn(C)n1)C1CC[NH+](C)CC1 ZINC000213195052 488100540 /nfs/dbraw/zinc/10/05/40/488100540.db2.gz ZHRVAFBDPWPQGN-LLVKDONJSA-N 1 3 236.363 1.240 20 0 BDADHO CC(C)([NH3+])CC(=O)Nc1cccc2c1CCNC2 ZINC000669510882 488114259 /nfs/dbraw/zinc/11/42/59/488114259.db2.gz SHYOESIRZKVUFC-UHFFFAOYSA-N 1 3 247.342 1.398 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000683145227 488119604 /nfs/dbraw/zinc/11/96/04/488119604.db2.gz VJEMVZTWPBIWSL-CYBMUJFWSA-N 1 3 242.407 1.979 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000674302560 487554888 /nfs/dbraw/zinc/55/48/88/487554888.db2.gz ODKFQALZJDVPKP-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000674302560 487554890 /nfs/dbraw/zinc/55/48/90/487554890.db2.gz ODKFQALZJDVPKP-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@H](N)C1)C1CCC1 ZINC000662236530 487470688 /nfs/dbraw/zinc/47/06/88/487470688.db2.gz ZRXIFRAHABKEQC-NWDGAFQWSA-N 1 3 212.337 1.225 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@H](N)C1)C1CCC1 ZINC000662236530 487470691 /nfs/dbraw/zinc/47/06/91/487470691.db2.gz ZRXIFRAHABKEQC-NWDGAFQWSA-N 1 3 212.337 1.225 20 0 BDADHO Cc1nnc(CCN[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000391805612 487493314 /nfs/dbraw/zinc/49/33/14/487493314.db2.gz GCTVNRKQMRRUBX-UWVGGRQHSA-N 1 3 240.376 1.249 20 0 BDADHO CC[C@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000381079296 487494381 /nfs/dbraw/zinc/49/43/81/487494381.db2.gz QYDZFXGRVQLZRZ-QWHCGFSZSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H]1CCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000381079296 487494382 /nfs/dbraw/zinc/49/43/82/487494382.db2.gz QYDZFXGRVQLZRZ-QWHCGFSZSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC000666122491 487507181 /nfs/dbraw/zinc/50/71/81/487507181.db2.gz RIFHEQDDPNSFFA-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](O)CNCCC[NH+]1CCC(C)CC1 ZINC000666122491 487507184 /nfs/dbraw/zinc/50/71/84/487507184.db2.gz RIFHEQDDPNSFFA-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H](C)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000379855767 488154946 /nfs/dbraw/zinc/15/49/46/488154946.db2.gz BZDFGLUQKGDQFI-RYUDHWBXSA-N 1 3 216.369 1.418 20 0 BDADHO CC[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000379855767 488154950 /nfs/dbraw/zinc/15/49/50/488154950.db2.gz BZDFGLUQKGDQFI-RYUDHWBXSA-N 1 3 216.369 1.418 20 0 BDADHO CNC(=O)[C@H](CC(C)C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214372 488139634 /nfs/dbraw/zinc/13/96/34/488139634.db2.gz OMOQIKADIJFHSZ-TUAOUCFPSA-N 1 3 241.379 1.007 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667927907 488161195 /nfs/dbraw/zinc/16/11/95/488161195.db2.gz JVJUTJJAMKDIHT-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@H]1C ZINC000390596161 488167668 /nfs/dbraw/zinc/16/76/68/488167668.db2.gz ULUXJUNWOQQHIN-UPJWGTAASA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)C[C@H]1C ZINC000390596161 488167669 /nfs/dbraw/zinc/16/76/69/488167669.db2.gz ULUXJUNWOQQHIN-UPJWGTAASA-N 1 3 228.380 1.419 20 0 BDADHO Cc1nccn1CCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678073007 488190830 /nfs/dbraw/zinc/19/08/30/488190830.db2.gz HSNQEFWAMVTGLZ-KBPBESRZSA-N 1 3 248.374 1.123 20 0 BDADHO c1n[nH]cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000683706975 488210623 /nfs/dbraw/zinc/21/06/23/488210623.db2.gz UVXDSDKBFRYLNV-UHFFFAOYSA-N 1 3 234.347 1.374 20 0 BDADHO C(C[N@@H+]1CC[C@H](N2CCNCC2)C1)C1CCC1 ZINC000398671442 488221426 /nfs/dbraw/zinc/22/14/26/488221426.db2.gz SJDDHUPAUGBHOP-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO C(C[N@H+]1CC[C@H](N2CCNCC2)C1)C1CCC1 ZINC000398671442 488221430 /nfs/dbraw/zinc/22/14/30/488221430.db2.gz SJDDHUPAUGBHOP-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000679359889 488345637 /nfs/dbraw/zinc/34/56/37/488345637.db2.gz RQBPPSMWWMWZRO-SNVBAGLBSA-N 1 3 234.347 1.631 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000679359889 488345638 /nfs/dbraw/zinc/34/56/38/488345638.db2.gz RQBPPSMWWMWZRO-SNVBAGLBSA-N 1 3 234.347 1.631 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)CCN1C ZINC000129581855 490153464 /nfs/dbraw/zinc/15/34/64/490153464.db2.gz OHFDPZZSPDUQRH-RYUDHWBXSA-N 1 3 227.396 1.399 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](OC)C2)C1 ZINC000070326490 490206898 /nfs/dbraw/zinc/20/68/98/490206898.db2.gz QLNCLPXQOMMNJI-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+]CCCN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000415121859 490214724 /nfs/dbraw/zinc/21/47/24/490214724.db2.gz KYLFOKRPWZSZRP-OLZOCXBDSA-N 1 3 220.316 1.143 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)C2CC2)CC1 ZINC000070880004 490242803 /nfs/dbraw/zinc/24/28/03/490242803.db2.gz LDIOFZHDHWSFSE-CYBMUJFWSA-N 1 3 226.364 1.221 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125476912 490436046 /nfs/dbraw/zinc/43/60/46/490436046.db2.gz APCWHHAHDHABCF-STQMWFEESA-N 1 3 240.391 1.789 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCC2(CO)CCCCC2)C1 ZINC000125476912 490436050 /nfs/dbraw/zinc/43/60/50/490436050.db2.gz APCWHHAHDHABCF-STQMWFEESA-N 1 3 240.391 1.789 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125477147 490436341 /nfs/dbraw/zinc/43/63/41/490436341.db2.gz APCWHHAHDHABCF-CHWSQXEVSA-N 1 3 240.391 1.789 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC2(CO)CCCCC2)C1 ZINC000125477147 490436350 /nfs/dbraw/zinc/43/63/50/490436350.db2.gz APCWHHAHDHABCF-CHWSQXEVSA-N 1 3 240.391 1.789 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)N(C)C ZINC000223198767 491112942 /nfs/dbraw/zinc/11/29/42/491112942.db2.gz YYFYXFAXAUQNSB-SRVKXCTJSA-N 1 3 213.369 1.009 20 0 BDADHO CN(C)CCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000084500829 491122022 /nfs/dbraw/zinc/12/20/22/491122022.db2.gz UHZWWBRECBLHHV-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000400613431 491132928 /nfs/dbraw/zinc/13/29/28/491132928.db2.gz XFTBOVRZIUZWSU-KBPBESRZSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[NH+]1CCC(NCC2(CO)CC2)CC1 ZINC000132353166 491135374 /nfs/dbraw/zinc/13/53/74/491135374.db2.gz HUELILCHTLIKDD-UHFFFAOYSA-N 1 3 226.364 1.223 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000249328026 535541350 /nfs/dbraw/zinc/54/13/50/535541350.db2.gz VBIBSXCZFKRXFQ-MGPQQGTHSA-N 1 3 241.423 1.647 20 0 BDADHO CCOC(=O)CC[N@H+](C)CC[C@H]1CCCN1C ZINC000348064837 535643112 /nfs/dbraw/zinc/64/31/12/535643112.db2.gz ASHCASCAFZPPFE-GFCCVEGCSA-N 1 3 242.363 1.356 20 0 BDADHO CCOC(=O)CC[N@@H+](C)CC[C@H]1CCCN1C ZINC000348064837 535643116 /nfs/dbraw/zinc/64/31/16/535643116.db2.gz ASHCASCAFZPPFE-GFCCVEGCSA-N 1 3 242.363 1.356 20 0 BDADHO Cc1ncc(CN(C)CC[C@H]2CC[NH2+]C2)s1 ZINC000400068844 534734465 /nfs/dbraw/zinc/73/44/65/534734465.db2.gz SVGUYGMCDXEEBX-LLVKDONJSA-N 1 3 239.388 1.883 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000183686195 536389975 /nfs/dbraw/zinc/38/99/75/536389975.db2.gz CIBRJPTYKNOBCG-STQMWFEESA-N 1 3 242.407 1.857 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCN(CCCF)C2)C1 ZINC000336114063 536395556 /nfs/dbraw/zinc/39/55/56/536395556.db2.gz WKEINSACNGQIRZ-LBPRGKRZSA-N 1 3 214.328 1.764 20 0 BDADHO C[N@H+]1CCC[C@]2(CCN(CCCF)C2)C1 ZINC000336114063 536395557 /nfs/dbraw/zinc/39/55/57/536395557.db2.gz WKEINSACNGQIRZ-LBPRGKRZSA-N 1 3 214.328 1.764 20 0 BDADHO CC[NH+]1CCC(N[C@H](C)COC(C)=O)CC1 ZINC000892432538 582886403 /nfs/dbraw/zinc/88/64/03/582886403.db2.gz QETQHBRZUQJVBK-SNVBAGLBSA-N 1 3 228.336 1.012 20 0 BDADHO CCN(CC)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400498995 528138080 /nfs/dbraw/zinc/13/80/80/528138080.db2.gz ICQJSXWDJHIHQM-NEPJUHHUSA-N 1 3 213.369 1.058 20 0 BDADHO CC(C)C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N(C)C ZINC000400758840 528530796 /nfs/dbraw/zinc/53/07/96/528530796.db2.gz XRFIBLPGOHNZBG-MJBXVCDLSA-N 1 3 241.423 1.693 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400757576 529082377 /nfs/dbraw/zinc/08/23/77/529082377.db2.gz XLQNYODLPBOUSB-JHJVBQTASA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336054872 535260617 /nfs/dbraw/zinc/26/06/17/535260617.db2.gz PCCNXHNVAAFOSY-KBPBESRZSA-N 1 3 239.407 1.258 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261583541 535285994 /nfs/dbraw/zinc/28/59/94/535285994.db2.gz PCRBHLMIQRRLTR-YNEHKIRRSA-N 1 3 228.380 1.501 20 0 BDADHO CCC[C@@](C)(CO)[NH2+]C[C@H]1CCCNC1 ZINC000261540208 535522002 /nfs/dbraw/zinc/52/20/02/535522002.db2.gz DUKHHSHTHNUTHV-RYUDHWBXSA-N 1 3 214.353 1.127 20 0 BDADHO CCC[C@@](C)(CO)NC[C@H]1CCC[NH2+]C1 ZINC000261540208 535522007 /nfs/dbraw/zinc/52/20/07/535522007.db2.gz DUKHHSHTHNUTHV-RYUDHWBXSA-N 1 3 214.353 1.127 20 0 BDADHO CC[C@](C)(O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249309646 535847314 /nfs/dbraw/zinc/84/73/14/535847314.db2.gz DNJLPYQXCCNXQR-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@](C)(O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249309646 535847319 /nfs/dbraw/zinc/84/73/19/535847319.db2.gz DNJLPYQXCCNXQR-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@](C)(O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249309646 535847326 /nfs/dbraw/zinc/84/73/26/535847326.db2.gz DNJLPYQXCCNXQR-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CCn1nccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000336128326 535868464 /nfs/dbraw/zinc/86/84/64/535868464.db2.gz VOPBVCZTMJZGKC-UHFFFAOYSA-N 1 3 248.374 1.479 20 0 BDADHO CC[C@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000219312253 535903576 /nfs/dbraw/zinc/90/35/76/535903576.db2.gz WYMCEHVRIYAMIR-LBPRGKRZSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000251044664 536091474 /nfs/dbraw/zinc/09/14/74/536091474.db2.gz DLHPQCCFQOVHGP-AGIUHOORSA-N 1 3 228.380 1.502 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C1CC1 ZINC000261967508 536647552 /nfs/dbraw/zinc/64/75/52/536647552.db2.gz BSSYFLCJQOIDJX-GRYCIOLGSA-N 1 3 212.337 1.128 20 0 BDADHO CO[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[C@H]1C ZINC000261533372 536730611 /nfs/dbraw/zinc/73/06/11/536730611.db2.gz HJTMBTJTXOFESQ-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CCCOC2)CC1 ZINC000335600553 566405545 /nfs/dbraw/zinc/40/55/45/566405545.db2.gz QADNGQCGBYAZGH-LBPRGKRZSA-N 1 3 210.321 1.017 20 0 BDADHO C([NH2+][C@@H]1CC[C@@H]1C1CC1)C12CC(C1)CN2 ZINC000854228324 588781143 /nfs/dbraw/zinc/78/11/43/588781143.db2.gz VFQGKYVWIDMPJJ-CDOIKYBLSA-N 1 3 206.333 1.517 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229194 588780895 /nfs/dbraw/zinc/78/08/95/588780895.db2.gz HWPZYAMKABKDCO-YTWAJWBKSA-N 1 3 246.301 1.270 20 0 BDADHO CC[C@H]1COCCN1CC1CC[NH+](C)CC1 ZINC000891716123 582713283 /nfs/dbraw/zinc/71/32/83/582713283.db2.gz LXYQTWQTQOBNCQ-ZDUSSCGKSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1C[NH+](CC2CCN(C)CC2)C[C@H]1C ZINC000892068314 582783391 /nfs/dbraw/zinc/78/33/91/582783391.db2.gz KLANFNVVVDYVCD-VXGBXAGGSA-N 1 3 210.365 1.916 20 0 BDADHO C[NH+]1CCC(CN2CCOC[C@@H]2C2CC2)CC1 ZINC000892106098 582792777 /nfs/dbraw/zinc/79/27/77/582792777.db2.gz UERFTPMHVMVODW-CQSZACIVSA-N 1 3 238.375 1.439 20 0 BDADHO CCC[NH+]1CCC(Nc2cc(C)nc(N)n2)CC1 ZINC000106134328 582802971 /nfs/dbraw/zinc/80/29/71/582802971.db2.gz WCDMDVAQGHRDLI-UHFFFAOYSA-N 1 3 249.362 1.654 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000848986602 582817830 /nfs/dbraw/zinc/81/78/30/582817830.db2.gz KUUHBHXVFSIBQX-WDEREUQCSA-N 1 3 226.368 1.383 20 0 BDADHO C[C@@H](CNC(=[NH2+])NCC1CCC1)N1CCCC1 ZINC000848986580 582818344 /nfs/dbraw/zinc/81/83/44/582818344.db2.gz IMESVQQVCXJEDG-NSHDSACASA-N 1 3 238.379 1.385 20 0 BDADHO CC[N@@H+]1CCCC[C@H]1CNc1ccncc1CO ZINC000892460678 582892967 /nfs/dbraw/zinc/89/29/67/582892967.db2.gz RXTIFDAHEPHNNY-ZDUSSCGKSA-N 1 3 249.358 1.282 20 0 BDADHO CC[N@H+]1CCCC[C@H]1CNc1ccncc1CO ZINC000892460678 582892968 /nfs/dbraw/zinc/89/29/68/582892968.db2.gz RXTIFDAHEPHNNY-ZDUSSCGKSA-N 1 3 249.358 1.282 20 0 BDADHO C[C@H](CO)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394451937 582976978 /nfs/dbraw/zinc/97/69/78/582976978.db2.gz TWXGURFINFIGOA-ACJTYDJDSA-N 1 3 226.364 1.172 20 0 BDADHO C[C@H](CO)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394451937 582976980 /nfs/dbraw/zinc/97/69/80/582976980.db2.gz TWXGURFINFIGOA-ACJTYDJDSA-N 1 3 226.364 1.172 20 0 BDADHO C[NH+]1CCC(CNCc2cccc(F)n2)CC1 ZINC000893202794 583070259 /nfs/dbraw/zinc/07/02/59/583070259.db2.gz OAZYDWHMCOGKLZ-UHFFFAOYSA-N 1 3 237.322 1.652 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H](O)C(C)C)C1 ZINC000878166776 583364363 /nfs/dbraw/zinc/36/43/63/583364363.db2.gz FNJGCUFGWSWBPQ-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878166776 583364366 /nfs/dbraw/zinc/36/43/66/583364366.db2.gz FNJGCUFGWSWBPQ-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO Cc1ncoc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000894984874 583564290 /nfs/dbraw/zinc/56/42/90/583564290.db2.gz MPLMURAMQCEJEK-GFCCVEGCSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1ncoc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000894984874 583564294 /nfs/dbraw/zinc/56/42/94/583564294.db2.gz MPLMURAMQCEJEK-GFCCVEGCSA-N 1 3 237.347 1.805 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCc3cn[nH]c32)C1 ZINC000857849397 588912690 /nfs/dbraw/zinc/91/26/90/588912690.db2.gz WSBHTPXJAHNNSM-YPMHNXCESA-N 1 3 248.374 1.719 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCc3cn[nH]c32)C1 ZINC000857849397 588912691 /nfs/dbraw/zinc/91/26/91/588912691.db2.gz WSBHTPXJAHNNSM-YPMHNXCESA-N 1 3 248.374 1.719 20 0 BDADHO CO[C@](C)(CNCC[C@@H](C)[NH+](C)C)C1CC1 ZINC000895294374 583638074 /nfs/dbraw/zinc/63/80/74/583638074.db2.gz VIUFPBICDPYMDD-DGCLKSJQSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](CCn1cccn1)[NH2+]CC[C@@H](C)N(C)C ZINC000895293639 583639618 /nfs/dbraw/zinc/63/96/18/583639618.db2.gz ITCVHFMCFHBTSV-CHWSQXEVSA-N 1 3 238.379 1.592 20 0 BDADHO C[C@H]1[C@@H](Nc2cc(N)[nH+]cc2Cl)CCN1C ZINC000895735480 583717502 /nfs/dbraw/zinc/71/75/02/583717502.db2.gz VHRJMETYYLUMRM-CBAPKCEASA-N 1 3 240.738 1.822 20 0 BDADHO CO[C@@H]1CC[C@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000896074699 583768715 /nfs/dbraw/zinc/76/87/15/583768715.db2.gz CNLKLSGMVFCMHX-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CC[C@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000896074699 583768716 /nfs/dbraw/zinc/76/87/16/583768716.db2.gz CNLKLSGMVFCMHX-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CCC(C[NH+]2CCSCC2)CC1 ZINC000143935331 583901411 /nfs/dbraw/zinc/90/14/11/583901411.db2.gz AMWMSALEVZVVBX-UHFFFAOYSA-N 1 3 214.378 1.377 20 0 BDADHO C[C@@H]1C[C@H]1NC(=[NH2+])NCCN1CCCCCC1 ZINC000864453647 584005444 /nfs/dbraw/zinc/00/54/44/584005444.db2.gz YHUWYSPFLGHKCW-VXGBXAGGSA-N 1 3 238.379 1.385 20 0 BDADHO C[N@@H+]1CCC[C@H](CNc2ccnc(CO)c2)C1 ZINC000858402928 588951370 /nfs/dbraw/zinc/95/13/70/588951370.db2.gz OEXUXYVDRPDBAI-LLVKDONJSA-N 1 3 235.331 1.328 20 0 BDADHO C[N@H+]1CCC[C@H](CNc2ccnc(CO)c2)C1 ZINC000858402928 588951371 /nfs/dbraw/zinc/95/13/71/588951371.db2.gz OEXUXYVDRPDBAI-LLVKDONJSA-N 1 3 235.331 1.328 20 0 BDADHO CCC[NH+]1CCC(NCC[C@@H](O)C2CC2)CC1 ZINC000898202662 584089619 /nfs/dbraw/zinc/08/96/19/584089619.db2.gz KMMCHBTXHSDWEJ-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320222 584552456 /nfs/dbraw/zinc/55/24/56/584552456.db2.gz OYVSEJJGJLLEPH-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902320222 584552457 /nfs/dbraw/zinc/55/24/57/584552457.db2.gz OYVSEJJGJLLEPH-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO COCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902316155 584556022 /nfs/dbraw/zinc/55/60/22/584556022.db2.gz FBYHEMSQAZLKNL-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO CCN(CC)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902315330 584556048 /nfs/dbraw/zinc/55/60/48/584556048.db2.gz AHNJEJNVRXTGCJ-ZDUSSCGKSA-N 1 3 241.423 1.696 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC2(CO)CCC2)C1 ZINC000902374224 584567594 /nfs/dbraw/zinc/56/75/94/584567594.db2.gz KKWWOJCDFXRQOF-LBPRGKRZSA-N 1 3 240.391 1.517 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000902374224 584567595 /nfs/dbraw/zinc/56/75/95/584567595.db2.gz KKWWOJCDFXRQOF-LBPRGKRZSA-N 1 3 240.391 1.517 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CCCCCO)C1 ZINC000902381102 584576882 /nfs/dbraw/zinc/57/68/82/584576882.db2.gz CWSAVOCFYLXVJQ-LBPRGKRZSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@H](O)CCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902385346 584578594 /nfs/dbraw/zinc/57/85/94/584578594.db2.gz ZUYNUWWMYKIEPH-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](O)CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385346 584578595 /nfs/dbraw/zinc/57/85/95/584578595.db2.gz ZUYNUWWMYKIEPH-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO CO[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000902389090 584580737 /nfs/dbraw/zinc/58/07/37/584580737.db2.gz RXXQWEBDJNIFKF-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902399035 584585933 /nfs/dbraw/zinc/58/59/33/584585933.db2.gz TZMPKYBQZFTRJX-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCOCCF)C1 ZINC000902400546 584586818 /nfs/dbraw/zinc/58/68/18/584586818.db2.gz SUHAESVZIHKSMI-LLVKDONJSA-N 1 3 232.343 1.340 20 0 BDADHO C[C@H](CSC(C)(C)C)NCC1([NH3+])CC1 ZINC000902416447 584590254 /nfs/dbraw/zinc/59/02/54/584590254.db2.gz OIKFYIXLCGJZGH-SECBINFHSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@@H](Cc1ccc(F)cc1)NCC1([NH3+])CC1 ZINC000902417520 584591402 /nfs/dbraw/zinc/59/14/02/584591402.db2.gz RXLZIWJTEMKOLS-JTQLQIEISA-N 1 3 222.307 1.838 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000902430036 584594660 /nfs/dbraw/zinc/59/46/60/584594660.db2.gz CCSPXOJUUIHTON-AAVRWANBSA-N 1 3 231.343 1.081 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)C1CNC1 ZINC000902434888 584596391 /nfs/dbraw/zinc/59/63/91/584596391.db2.gz POMVYXZCNMFYKC-MDZLAQPJSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](NCC[C@@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000902434888 584596392 /nfs/dbraw/zinc/59/63/92/584596392.db2.gz POMVYXZCNMFYKC-MDZLAQPJSA-N 1 3 226.364 1.125 20 0 BDADHO CC[C@@H](NCC1([NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000902414036 584599378 /nfs/dbraw/zinc/59/93/78/584599378.db2.gz QVWZOZRMPDNJCV-SNVBAGLBSA-N 1 3 240.347 1.189 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CC2)C12CCC2 ZINC000902413573 584599494 /nfs/dbraw/zinc/59/94/94/584599494.db2.gz OBORVLIJJYISAK-MNOVXSKESA-N 1 3 224.348 1.415 20 0 BDADHO NOCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000902414813 584600544 /nfs/dbraw/zinc/60/05/44/584600544.db2.gz CVHDLVDTMMJZDP-QWHCGFSZSA-N 1 3 241.379 1.025 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC2(C)C)CN1C1CC1 ZINC000902448952 584605349 /nfs/dbraw/zinc/60/53/49/584605349.db2.gz KBLOOKQGZPZWDJ-MDZLAQPJSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCC(C)(C)C1 ZINC000902455123 584609823 /nfs/dbraw/zinc/60/98/23/584609823.db2.gz JDVWRVXEMIYSNY-NWDGAFQWSA-N 1 3 227.396 1.434 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2nonc2c1 ZINC000902456502 584610316 /nfs/dbraw/zinc/61/03/16/584610316.db2.gz PJZXFSUJIJBNJT-RKDXNWHRSA-N 1 3 234.303 1.438 20 0 BDADHO C1C[C@@H]2N[C@H]1C[C@@H]2[NH2+]C1CCSCC1 ZINC000902467905 584614627 /nfs/dbraw/zinc/61/46/27/584614627.db2.gz RKEFJCTVLJEDHQ-VWYCJHECSA-N 1 3 212.362 1.365 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469059 584615429 /nfs/dbraw/zinc/61/54/29/584615429.db2.gz ORHZDBKDPSJOPQ-JZRPKSSGSA-N 1 3 224.348 1.427 20 0 BDADHO C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468794 584615610 /nfs/dbraw/zinc/61/56/10/584615610.db2.gz VQSKVDXURAJQFM-KXNHARMFSA-N 1 3 206.333 1.802 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC[C@@H](O)C2CC2)C1 ZINC000902501454 584620869 /nfs/dbraw/zinc/62/08/69/584620869.db2.gz BJZNXFRBKSHWCK-CHWSQXEVSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902501454 584620871 /nfs/dbraw/zinc/62/08/71/584620871.db2.gz BJZNXFRBKSHWCK-CHWSQXEVSA-N 1 3 240.391 1.515 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@H]1CCCCCN1 ZINC000902481229 584623129 /nfs/dbraw/zinc/62/31/29/584623129.db2.gz BSLYEXUGNYJZGO-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCCCCN1)C(C)C ZINC000902482979 584624301 /nfs/dbraw/zinc/62/43/01/584624301.db2.gz OHYMQLZCYSYTDU-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000902513894 584629395 /nfs/dbraw/zinc/62/93/95/584629395.db2.gz PESVUIRWWLEFFD-KGLIPLIRSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ncccc1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000902513894 584629398 /nfs/dbraw/zinc/62/93/98/584629398.db2.gz PESVUIRWWLEFFD-KGLIPLIRSA-N 1 3 233.359 1.650 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1COC[C@@H]1C1CC1 ZINC000902522111 584631910 /nfs/dbraw/zinc/63/19/10/584631910.db2.gz WKDCMRFKUZVPPI-YIYPIFLZSA-N 1 3 238.375 1.661 20 0 BDADHO NC[C@@H]1c2ccccc2CCN1C[C@H]1CCC[NH2+]1 ZINC000903460460 584766391 /nfs/dbraw/zinc/76/63/91/584766391.db2.gz CWHYHNAXWLFHAP-UKRRQHHQSA-N 1 3 245.370 1.297 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](c2cccnc2)C1 ZINC000903460875 584766490 /nfs/dbraw/zinc/76/64/90/584766490.db2.gz KOHQRMPUVBYCRL-YUELXQCFSA-N 1 3 245.370 1.726 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](c2cccnc2)C1 ZINC000903460874 584766877 /nfs/dbraw/zinc/76/68/77/584766877.db2.gz KOHQRMPUVBYCRL-SNPRPXQTSA-N 1 3 245.370 1.726 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@H](c2ccccn2)C1 ZINC000903455278 584773825 /nfs/dbraw/zinc/77/38/25/584773825.db2.gz SHSPISQULRSGFG-RDBSUJKOSA-N 1 3 245.370 1.726 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903471297 584775575 /nfs/dbraw/zinc/77/55/75/584775575.db2.gz IGGVJNAPVMNBMO-TUAOUCFPSA-N 1 3 224.348 1.286 20 0 BDADHO C(C[C@H]1CCCCO1)[NH2+][C@H]1CCNC12CCC2 ZINC000903470974 584775618 /nfs/dbraw/zinc/77/56/18/584775618.db2.gz FTVMIIGAJWGEPC-OLZOCXBDSA-N 1 3 238.375 1.820 20 0 BDADHO C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000903472930 584776337 /nfs/dbraw/zinc/77/63/37/584776337.db2.gz XDWTWHUTAWVCLC-SDDRHHMPSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H](Cn1cccn1)NC[C@H]1CCCC[NH2+]C1 ZINC000903760762 584797542 /nfs/dbraw/zinc/79/75/42/584797542.db2.gz YIGSEVSLXFJTHM-STQMWFEESA-N 1 3 236.363 1.251 20 0 BDADHO C[C@]12COC[C@H]1CN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903767425 584797959 /nfs/dbraw/zinc/79/79/59/584797959.db2.gz XIQVRSRCDKXPQQ-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@H]1C[N@H+](C[C@@H]1CCCCNC1)C2 ZINC000903767425 584797961 /nfs/dbraw/zinc/79/79/61/584797961.db2.gz XIQVRSRCDKXPQQ-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1CCCCNC1)C2 ZINC000903767425 584797963 /nfs/dbraw/zinc/79/79/63/584797963.db2.gz XIQVRSRCDKXPQQ-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903804399 584802555 /nfs/dbraw/zinc/80/25/55/584802555.db2.gz FFYOQWZLZSQWQK-TZMCWYRMSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903804399 584802556 /nfs/dbraw/zinc/80/25/56/584802556.db2.gz FFYOQWZLZSQWQK-TZMCWYRMSA-N 1 3 248.374 1.166 20 0 BDADHO C[NH2+]CCCN1CCCSC[C@@H]1C ZINC000903829843 584805779 /nfs/dbraw/zinc/80/57/79/584805779.db2.gz MGQGBHICKAXACO-JTQLQIEISA-N 1 3 202.367 1.423 20 0 BDADHO CNCCC[N@@H+]1CCCSC[C@@H]1C ZINC000903829843 584805780 /nfs/dbraw/zinc/80/57/80/584805780.db2.gz MGQGBHICKAXACO-JTQLQIEISA-N 1 3 202.367 1.423 20 0 BDADHO CNCCC[N@H+]1CCCSC[C@@H]1C ZINC000903829843 584805781 /nfs/dbraw/zinc/80/57/81/584805781.db2.gz MGQGBHICKAXACO-JTQLQIEISA-N 1 3 202.367 1.423 20 0 BDADHO COCCCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903855297 584809309 /nfs/dbraw/zinc/80/93/09/584809309.db2.gz MJNAPBMVCDNBJU-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903860642 584812655 /nfs/dbraw/zinc/81/26/55/584812655.db2.gz SNKZICSHWSQMRG-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903860642 584812656 /nfs/dbraw/zinc/81/26/56/584812656.db2.gz SNKZICSHWSQMRG-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO NCCC[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903875951 584816383 /nfs/dbraw/zinc/81/63/83/584816383.db2.gz UOANOEHQCYLEHK-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO NCCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000903875951 584816385 /nfs/dbraw/zinc/81/63/85/584816385.db2.gz UOANOEHQCYLEHK-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903874481 584816534 /nfs/dbraw/zinc/81/65/34/584816534.db2.gz BQXLDRJMAQMPEU-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CNCCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000903874481 584816536 /nfs/dbraw/zinc/81/65/36/584816536.db2.gz BQXLDRJMAQMPEU-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO [NH3+][C@@H](CNC1(CO)CCCCC1)CC(F)F ZINC000903905472 584820947 /nfs/dbraw/zinc/82/09/47/584820947.db2.gz GQUMPWOIWJOWLK-SECBINFHSA-N 1 3 236.306 1.254 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@H]1C ZINC000903909989 584821962 /nfs/dbraw/zinc/82/19/62/584821962.db2.gz ZCDFNKQKWSMOEY-VWYCJHECSA-N 1 3 249.349 1.383 20 0 BDADHO CC[C@H](NC[C@H]([NH3+])CC(F)F)[C@@H]1CCCO1 ZINC000903923364 584823859 /nfs/dbraw/zinc/82/38/59/584823859.db2.gz RRPCCWOLHVBRSI-UTLUCORTSA-N 1 3 236.306 1.516 20 0 BDADHO CN(CCN1CCCCC1)C[C@@H]([NH3+])CC(F)F ZINC000903932145 584824981 /nfs/dbraw/zinc/82/49/81/584824981.db2.gz NBLIOHXDBREQCO-NSHDSACASA-N 1 3 249.349 1.387 20 0 BDADHO COC[C@H](C)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959910 584827783 /nfs/dbraw/zinc/82/77/83/584827783.db2.gz RPMCFGJTLHBBJR-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO c1c(CNCC2CC[NH2+]CC2)onc1C1CC1 ZINC000903953885 584831700 /nfs/dbraw/zinc/83/17/00/584831700.db2.gz MLSLSEQGHFWAIO-UHFFFAOYSA-N 1 3 235.331 1.641 20 0 BDADHO C[C@@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000903987050 584835810 /nfs/dbraw/zinc/83/58/10/584835810.db2.gz XJOWVPCQVNZHSO-DEQVHRJGSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328236 584865529 /nfs/dbraw/zinc/86/55/29/584865529.db2.gz BSFIKTOZJSTUDJ-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@@H]1CCC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904328236 584865530 /nfs/dbraw/zinc/86/55/30/584865530.db2.gz BSFIKTOZJSTUDJ-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904328236 584865531 /nfs/dbraw/zinc/86/55/31/584865531.db2.gz BSFIKTOZJSTUDJ-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)(C)CC[C@@H]([NH3+])CNC(C)(C)CCO ZINC000904328422 584865691 /nfs/dbraw/zinc/86/56/91/584865691.db2.gz DVVUJIOHHYRVTH-LLVKDONJSA-N 1 3 230.396 1.891 20 0 BDADHO COc1cccc2c1CCN(C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904331990 584865885 /nfs/dbraw/zinc/86/58/85/584865885.db2.gz MFOKLLUBKOFOKW-BJHJDKERSA-N 1 3 246.354 1.791 20 0 BDADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C2CC2)O1 ZINC000904342343 584867001 /nfs/dbraw/zinc/86/70/01/584867001.db2.gz DQYVGDGOYRRUQZ-DJIHRAIXSA-N 1 3 224.348 1.223 20 0 BDADHO CN(C)C(=O)CC[NH2+]C[C@@H](N)CCC(C)(C)C ZINC000904360165 584871694 /nfs/dbraw/zinc/87/16/94/584871694.db2.gz IRNJXDKRDUAUBS-NSHDSACASA-N 1 3 243.395 1.208 20 0 BDADHO [NH3+][C@H]1C[C@@H](CNCc2nc(C3CC3)cs2)C1 ZINC000904361945 584871995 /nfs/dbraw/zinc/87/19/95/584871995.db2.gz CVDPUNXCMUZSDM-WAAGHKOSSA-N 1 3 237.372 1.847 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@H]1CCO ZINC000904372237 584873500 /nfs/dbraw/zinc/87/35/00/584873500.db2.gz ZTOUIACKHWFLQX-STQMWFEESA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@H]1CCO ZINC000904372237 584873501 /nfs/dbraw/zinc/87/35/01/584873501.db2.gz ZTOUIACKHWFLQX-STQMWFEESA-N 1 3 242.407 1.987 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@]1(C)CCC[NH2+]C1 ZINC000904363704 584874354 /nfs/dbraw/zinc/87/43/54/584874354.db2.gz MFTCJBJRPNMNBV-ZIAGYGMSSA-N 1 3 242.407 1.763 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+]C[C@]1(C)CCCNC1 ZINC000904363704 584874355 /nfs/dbraw/zinc/87/43/55/584874355.db2.gz MFTCJBJRPNMNBV-ZIAGYGMSSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1nccn1C1CC1 ZINC000904389202 584875694 /nfs/dbraw/zinc/87/56/94/584875694.db2.gz TYCNNFFYEZOONX-VXGBXAGGSA-N 1 3 248.374 1.553 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000904385323 584877917 /nfs/dbraw/zinc/87/79/17/584877917.db2.gz VPTVVMZASHHUIS-FRRDWIJNSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000904385323 584877918 /nfs/dbraw/zinc/87/79/18/584877918.db2.gz VPTVVMZASHHUIS-FRRDWIJNSA-N 1 3 240.391 1.718 20 0 BDADHO COc1ccsc1CN1CC[C@H](CC[NH3+])C1 ZINC000904406659 584878296 /nfs/dbraw/zinc/87/82/96/584878296.db2.gz UAFUROGTJWPOBL-JTQLQIEISA-N 1 3 240.372 1.927 20 0 BDADHO Cc1n[nH]cc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412327 584879633 /nfs/dbraw/zinc/87/96/33/584879633.db2.gz SCVUIHPXPRRHSU-ONGXEEELSA-N 1 3 222.336 1.135 20 0 BDADHO Cc1nn(C)cc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412180 584879826 /nfs/dbraw/zinc/87/98/26/584879826.db2.gz RUTMRIOKRARMCU-ZYHUDNBSSA-N 1 3 236.363 1.145 20 0 BDADHO CCN(CC)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000733166370 584943818 /nfs/dbraw/zinc/94/38/18/584943818.db2.gz HZTGNMWPWHNOAS-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000817913146 584991418 /nfs/dbraw/zinc/99/14/18/584991418.db2.gz FYRULMNWGPEFRZ-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000361674981 585025153 /nfs/dbraw/zinc/02/51/53/585025153.db2.gz JBCWAYDKFXECLB-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000361674981 585025154 /nfs/dbraw/zinc/02/51/54/585025154.db2.gz JBCWAYDKFXECLB-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO O[C@@H](CNC1CC(C(F)F)C1)C[NH+]1CCCC1 ZINC000768686691 585542009 /nfs/dbraw/zinc/54/20/09/585542009.db2.gz IULYBWHFYXTIMV-ILDUYXDCSA-N 1 3 248.317 1.076 20 0 BDADHO CC(C)(C)OC1CC(N2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000775937104 585687986 /nfs/dbraw/zinc/68/79/86/585687986.db2.gz BKDFMIMMGRXPSI-ZSVAQUKISA-N 1 3 238.375 1.484 20 0 BDADHO C[C@H](CCO)[NH2+]CCCN1CCC(C)CC1 ZINC000779343790 585752141 /nfs/dbraw/zinc/75/21/41/585752141.db2.gz UBPZKEOHFUMRFF-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](CCO)NCCC[NH+]1CCC(C)CC1 ZINC000779343790 585752142 /nfs/dbraw/zinc/75/21/42/585752142.db2.gz UBPZKEOHFUMRFF-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779346093 585752245 /nfs/dbraw/zinc/75/22/45/585752245.db2.gz UHNSWFLGDFINJL-OLZOCXBDSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@](C)(CC(=O)OC)NC[C@@H]1CCC[NH2+]C1 ZINC000843069834 585943852 /nfs/dbraw/zinc/94/38/52/585943852.db2.gz STCHYEOAALNZCV-DGCLKSJQSA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]1CCCNC1 ZINC000843069834 585943853 /nfs/dbraw/zinc/94/38/53/585943853.db2.gz STCHYEOAALNZCV-DGCLKSJQSA-N 1 3 242.363 1.307 20 0 BDADHO C[C@H](NCCN1CCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912357 586831284 /nfs/dbraw/zinc/83/12/84/586831284.db2.gz GJFOLGAYJMAQTG-RWMBFGLXSA-N 1 3 225.380 1.201 20 0 BDADHO CCc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])n[nH]1 ZINC000817891566 586832883 /nfs/dbraw/zinc/83/28/83/586832883.db2.gz DFEWCEVRJBJPSO-JOYOIKCWSA-N 1 3 222.336 1.189 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1 ZINC000817898067 586835321 /nfs/dbraw/zinc/83/53/21/586835321.db2.gz ZFGCFWMVZBDKMA-ZRUFSTJUSA-N 1 3 216.394 1.986 20 0 BDADHO CSC(C)(C)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000817898218 586835375 /nfs/dbraw/zinc/83/53/75/586835375.db2.gz CIRWURWZUWGVEW-DTWKUNHWSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](C[C@@H](O)c1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000817905243 586837194 /nfs/dbraw/zinc/83/71/94/586837194.db2.gz KYVZDLJUIMBASC-TYNCELHUSA-N 1 3 248.370 1.696 20 0 BDADHO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000817905243 586837196 /nfs/dbraw/zinc/83/71/96/586837196.db2.gz KYVZDLJUIMBASC-TYNCELHUSA-N 1 3 248.370 1.696 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](O)c1ccco1 ZINC000817912326 586837849 /nfs/dbraw/zinc/83/78/49/586837849.db2.gz ABKRUQWMRKIQBX-QJPTWQEYSA-N 1 3 238.331 1.420 20 0 BDADHO C[C@@H]1CCCN1CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000817912272 586838351 /nfs/dbraw/zinc/83/83/51/586838351.db2.gz FTLFXAUBJNLQTB-JHJVBQTASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCC[C@@H]1C ZINC000817914430 586839817 /nfs/dbraw/zinc/83/98/17/586839817.db2.gz XGAOJDJQCFIIQM-SRVKXCTJSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCCCO ZINC000817918040 586840407 /nfs/dbraw/zinc/84/04/07/586840407.db2.gz GMYFBUQSYUZSLR-OLZOCXBDSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@H](N[C@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927373 586841269 /nfs/dbraw/zinc/84/12/69/586841269.db2.gz FPQLNQSKCKOCSR-SWLSCSKDSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H]([NH2+][C@H](CCO)Cc1ccccc1)C1CNC1 ZINC000817927373 586841270 /nfs/dbraw/zinc/84/12/70/586841270.db2.gz FPQLNQSKCKOCSR-SWLSCSKDSA-N 1 3 248.370 1.178 20 0 BDADHO Cc1ccc2c(c1)CC[C@@H]2NCCC[NH3+] ZINC000817938054 586844510 /nfs/dbraw/zinc/84/45/10/586844510.db2.gz CLLAZOFVVFYFOF-ZDUSSCGKSA-N 1 3 204.317 1.921 20 0 BDADHO C[C@@H]([NH3+])CN[C@@H](C)CSC(C)(C)C ZINC000817971781 586858865 /nfs/dbraw/zinc/85/88/65/586858865.db2.gz PZQVZVXJONTRGC-BDAKNGLRSA-N 1 3 204.383 1.843 20 0 BDADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](O)C2CC2)C1 ZINC000819151912 586933583 /nfs/dbraw/zinc/93/35/83/586933583.db2.gz HSICJGYVBPFAKW-OCCSQVGLSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](O)C2CC2)C1 ZINC000819151912 586933584 /nfs/dbraw/zinc/93/35/84/586933584.db2.gz HSICJGYVBPFAKW-OCCSQVGLSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)CN1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819151912 586933585 /nfs/dbraw/zinc/93/35/85/586933585.db2.gz HSICJGYVBPFAKW-OCCSQVGLSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@H]([NH2+]CCCO)c1cccc(CN(C)C)c1 ZINC000820806077 587073355 /nfs/dbraw/zinc/07/33/55/587073355.db2.gz ZRASDWMAFVIJHR-LBPRGKRZSA-N 1 3 236.359 1.781 20 0 BDADHO C[NH+](C)CCC1CCN(CC[S@@](C)=O)CC1 ZINC000827802585 587403151 /nfs/dbraw/zinc/40/31/51/587403151.db2.gz HWWNCHWEZXJRQI-MRXNPFEDSA-N 1 3 246.420 1.029 20 0 BDADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN)c2)CC[NH2+]1 ZINC000834673655 587763501 /nfs/dbraw/zinc/76/35/01/587763501.db2.gz TVBNOFYXGIFXCA-MFKMUULPSA-N 1 3 247.342 1.016 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cnc2ccccc2c1 ZINC000841047752 587939213 /nfs/dbraw/zinc/93/92/13/587939213.db2.gz CHEIKRSPEZAJDG-NSHDSACASA-N 1 3 229.327 1.919 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841072959 587942325 /nfs/dbraw/zinc/94/23/25/587942325.db2.gz SYOXTFNZEBVZRA-ZDCRXTMVSA-N 1 3 246.445 1.693 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841072961 587943189 /nfs/dbraw/zinc/94/31/89/587943189.db2.gz SYOXTFNZEBVZRA-ZRUFSTJUSA-N 1 3 246.445 1.693 20 0 BDADHO CN(CCCCCCC[NH3+])CC(=O)NC1CC1 ZINC000842471646 588029446 /nfs/dbraw/zinc/02/94/46/588029446.db2.gz OOWAJVQPQOBBJD-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCc1nc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000843339841 588100858 /nfs/dbraw/zinc/10/08/58/588100858.db2.gz HHXIZDXEXDXIQC-SDDRHHMPSA-N 1 3 249.358 1.715 20 0 BDADHO C[C@@H]1CN(CCOCC[NH3+])Cc2ccccc21 ZINC000843356269 588102899 /nfs/dbraw/zinc/10/28/99/588102899.db2.gz LCDGUMMABDSZEW-GFCCVEGCSA-N 1 3 234.343 1.581 20 0 BDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCF)C2)C1 ZINC000846224772 588261559 /nfs/dbraw/zinc/26/15/59/588261559.db2.gz DFOXRSWUQNQLNK-IJLUTSLNSA-N 1 3 230.327 1.174 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000848719483 588408570 /nfs/dbraw/zinc/40/85/70/588408570.db2.gz GRLYRACWLDKKOF-KKUMJFAQSA-N 1 3 248.370 1.754 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848722721 588408851 /nfs/dbraw/zinc/40/88/51/588408851.db2.gz PUTRIVXEOOFGNB-ZNMIVQPWSA-N 1 3 248.370 1.888 20 0 BDADHO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(N)n1 ZINC000848755401 588412099 /nfs/dbraw/zinc/41/20/99/588412099.db2.gz PAIPOOKZSIPWKQ-AOOOYVTPSA-N 1 3 235.335 1.119 20 0 BDADHO CN(C)C(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC000848981104 588423861 /nfs/dbraw/zinc/42/38/61/588423861.db2.gz LHCCQULDSRGVGW-UHFFFAOYSA-N 1 3 226.368 1.337 20 0 BDADHO CC(C)[C@H](CNC1=[NH+]C[C@@H](C)N1)N1CCCC1 ZINC000848984109 588424944 /nfs/dbraw/zinc/42/49/44/588424944.db2.gz PIZMEKPMBBZAOJ-NEPJUHHUSA-N 1 3 238.379 1.044 20 0 BDADHO CC[C@@H](CNC1=[NH+]CCCN1C)N1CCCC1 ZINC000848986339 588425909 /nfs/dbraw/zinc/42/59/09/588425909.db2.gz DWAXSCDGSDVGOL-LBPRGKRZSA-N 1 3 238.379 1.142 20 0 BDADHO [NH2+]=C(NCCN1CCCCCC1)N1CCC1 ZINC000848987556 588426135 /nfs/dbraw/zinc/42/61/35/588426135.db2.gz GNHREFXHVDEMDG-UHFFFAOYSA-N 1 3 224.352 1.092 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCC1)N1CCCC[C@@H]1C ZINC000848987081 588426438 /nfs/dbraw/zinc/42/64/38/588426438.db2.gz HTCXHDVIFJDGLJ-NWDGAFQWSA-N 1 3 238.379 1.479 20 0 BDADHO CCN(CC)C(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030263 588442315 /nfs/dbraw/zinc/44/23/15/588442315.db2.gz HCJUSXIECNWQKQ-JTQLQIEISA-N 1 3 214.357 1.050 20 0 BDADHO CC(C)CCNC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030637 588442669 /nfs/dbraw/zinc/44/26/69/588442669.db2.gz QQARFPVORZYJRY-LLVKDONJSA-N 1 3 228.384 1.344 20 0 BDADHO COC(CCN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000851985739 588652014 /nfs/dbraw/zinc/65/20/14/588652014.db2.gz PWUQZFXLDXAQPZ-LBPRGKRZSA-N 1 3 244.379 1.412 20 0 BDADHO COC(CC[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000851985739 588652015 /nfs/dbraw/zinc/65/20/15/588652015.db2.gz PWUQZFXLDXAQPZ-LBPRGKRZSA-N 1 3 244.379 1.412 20 0 BDADHO COC(CC[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000851985739 588652016 /nfs/dbraw/zinc/65/20/16/588652016.db2.gz PWUQZFXLDXAQPZ-LBPRGKRZSA-N 1 3 244.379 1.412 20 0 BDADHO NCc1cccc(NC(=O)C=C2CC[NH2+]CC2)c1 ZINC000852789566 588702695 /nfs/dbraw/zinc/70/26/95/588702695.db2.gz BSMWJKRWHVNIKH-UHFFFAOYSA-N 1 3 245.326 1.394 20 0 BDADHO CC[C@H]1CCN(C(=[NH2+])NCCCN(C)C)C1 ZINC000864452909 589365639 /nfs/dbraw/zinc/36/56/39/589365639.db2.gz UJPWCSUCBGDAPO-NSHDSACASA-N 1 3 226.368 1.194 20 0 BDADHO CCC(CC)NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000864457860 589367798 /nfs/dbraw/zinc/36/77/98/589367798.db2.gz VMVAFDTXBXWKKK-LLVKDONJSA-N 1 3 240.395 1.631 20 0 BDADHO CCC(CC)NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000864463282 589370022 /nfs/dbraw/zinc/37/00/22/589370022.db2.gz USTDHGXLRJSOAJ-UHFFFAOYSA-N 1 3 238.379 1.551 20 0 BDADHO Cc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)ccn1 ZINC000866206667 589480262 /nfs/dbraw/zinc/48/02/62/589480262.db2.gz FHIMKCTUQNIHBA-TZMCWYRMSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206667 589480263 /nfs/dbraw/zinc/48/02/63/589480263.db2.gz FHIMKCTUQNIHBA-TZMCWYRMSA-N 1 3 231.343 1.920 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](CN)C1 ZINC000866658840 589508191 /nfs/dbraw/zinc/50/81/91/589508191.db2.gz BKMKCURKOVVUPA-SDDRHHMPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](CN)C1 ZINC000866658840 589508192 /nfs/dbraw/zinc/50/81/92/589508192.db2.gz BKMKCURKOVVUPA-SDDRHHMPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](CN)C1 ZINC000866658839 589508305 /nfs/dbraw/zinc/50/83/05/589508305.db2.gz BKMKCURKOVVUPA-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](CN)C1 ZINC000866658839 589508306 /nfs/dbraw/zinc/50/83/06/589508306.db2.gz BKMKCURKOVVUPA-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC1 ZINC000872141605 589882702 /nfs/dbraw/zinc/88/27/02/589882702.db2.gz LMBMEPOIHOEVHO-DOERSZECSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000872251226 589900515 /nfs/dbraw/zinc/90/05/15/589900515.db2.gz IDZJLMAEDMOHNN-CYBMUJFWSA-N 1 3 240.391 1.781 20 0 BDADHO C[NH2+]CCCNCc1cc2c(s1)CCNC2 ZINC000873210678 589994803 /nfs/dbraw/zinc/99/48/03/589994803.db2.gz OBIIUMRLTQWVRN-UHFFFAOYSA-N 1 3 239.388 1.093 20 0 BDADHO CC[C@@H](C)C[NH2+]C1(CCOC)CCNCC1 ZINC000873225649 590000632 /nfs/dbraw/zinc/00/06/32/590000632.db2.gz WHDQPTHUOKOCFR-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO CN(CCCCCC[NH3+])Cc1cnc(N)s1 ZINC000873231312 590002927 /nfs/dbraw/zinc/00/29/27/590002927.db2.gz FEEMTZQOIJHXND-UHFFFAOYSA-N 1 3 242.392 1.676 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234149 590004296 /nfs/dbraw/zinc/00/42/96/590004296.db2.gz CSVIIDYNGVWPON-UPJWGTAASA-N 1 3 239.407 1.304 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234142 590004866 /nfs/dbraw/zinc/00/48/66/590004866.db2.gz CSVIIDYNGVWPON-AGIUHOORSA-N 1 3 239.407 1.304 20 0 BDADHO Cc1cc([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000873248631 590007516 /nfs/dbraw/zinc/00/75/16/590007516.db2.gz CGPMQLSZBGMOBE-BBBLOLIVSA-N 1 3 209.293 1.371 20 0 BDADHO CCn1ccnc1[C@@H](C)NC[C@H]1C[C@H]([NH3+])C1 ZINC000873255632 590010778 /nfs/dbraw/zinc/01/07/78/590010778.db2.gz ILWIFQHFZFUXDT-GMTAPVOTSA-N 1 3 222.336 1.291 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255898 590011142 /nfs/dbraw/zinc/01/11/42/590011142.db2.gz KDZFXTJOGXDJIV-XWLWVQCSSA-N 1 3 220.320 1.216 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccn1C ZINC000873263525 590014175 /nfs/dbraw/zinc/01/41/75/590014175.db2.gz IXUSEAPYCGNFNV-RVMXOQNASA-N 1 3 248.374 1.601 20 0 BDADHO C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270983 590016441 /nfs/dbraw/zinc/01/64/41/590016441.db2.gz DLFSHRFYDPTBNJ-MDZLAQPJSA-N 1 3 248.374 1.867 20 0 BDADHO C[C@H]([NH2+]CCC[C@@H]1C=CCC1)C1CNC1 ZINC000873281152 590018531 /nfs/dbraw/zinc/01/85/31/590018531.db2.gz GFXWQJVSFNLQCU-NWDGAFQWSA-N 1 3 208.349 1.930 20 0 BDADHO c1ccc2c(c1)CN[C@@H](CNC1CC[NH2+]CC1)C2 ZINC000873296689 590025249 /nfs/dbraw/zinc/02/52/49/590025249.db2.gz LEOXEUSYLJQAFW-OAHLLOKOSA-N 1 3 245.370 1.043 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000876505072 590204476 /nfs/dbraw/zinc/20/44/76/590204476.db2.gz JZZUZHZOAGSPDN-NEPJUHHUSA-N 1 3 247.342 1.457 20 0 BDADHO CN(C)CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876887034 590254440 /nfs/dbraw/zinc/25/44/40/590254440.db2.gz HUHANOFNMOUUIV-UHFFFAOYSA-N 1 3 241.766 1.964 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCN(CC)C1)OC ZINC000876942694 590259533 /nfs/dbraw/zinc/25/95/33/590259533.db2.gz BTQCPWLZVZSSDM-IHRRRGAJSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@H](CNC[C@@H]1CC[N@H+](CC)C1)OC ZINC000876942694 590259535 /nfs/dbraw/zinc/25/95/35/590259535.db2.gz BTQCPWLZVZSSDM-IHRRRGAJSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@H](CNC[C@@H]1CC[N@@H+](CC)C1)OC ZINC000876942694 590259537 /nfs/dbraw/zinc/25/95/37/590259537.db2.gz BTQCPWLZVZSSDM-IHRRRGAJSA-N 1 3 242.407 1.979 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)[C@H]1CCCCN1 ZINC000877446407 590328556 /nfs/dbraw/zinc/32/85/56/590328556.db2.gz YOTIQUROAQADLH-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO CC(C)[C@H](O)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000878105157 590494532 /nfs/dbraw/zinc/49/45/32/590494532.db2.gz XFEWNDVNBZFSOG-CHWSQXEVSA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)[C@@H](O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511716 590583551 /nfs/dbraw/zinc/58/35/51/590583551.db2.gz HFMYXXPEBZRTOZ-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@H](O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000878511716 590583552 /nfs/dbraw/zinc/58/35/52/590583552.db2.gz HFMYXXPEBZRTOZ-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@H](O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000878511716 590583553 /nfs/dbraw/zinc/58/35/53/590583553.db2.gz HFMYXXPEBZRTOZ-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3ccno3)CC2)CC1 ZINC000879248441 590721420 /nfs/dbraw/zinc/72/14/20/590721420.db2.gz OPKXQVPCTJYRDW-UHFFFAOYSA-N 1 3 249.358 1.982 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000879573757 590809606 /nfs/dbraw/zinc/80/96/06/590809606.db2.gz QWJXWJANJWPUAJ-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000879573757 590809611 /nfs/dbraw/zinc/80/96/11/590809611.db2.gz QWJXWJANJWPUAJ-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578004 590812867 /nfs/dbraw/zinc/81/28/67/590812867.db2.gz AEAJIKGZVMSZOL-CHWSQXEVSA-N 1 3 238.375 1.318 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCC3(O)CCC3)CC[C@H]21 ZINC000879578004 590812869 /nfs/dbraw/zinc/81/28/69/590812869.db2.gz AEAJIKGZVMSZOL-CHWSQXEVSA-N 1 3 238.375 1.318 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574271 590813641 /nfs/dbraw/zinc/81/36/41/590813641.db2.gz YWKIONMQJYZVGP-NEPJUHHUSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@@H]21 ZINC000879574271 590813645 /nfs/dbraw/zinc/81/36/45/590813645.db2.gz YWKIONMQJYZVGP-NEPJUHHUSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCCCF)CC[C@H]21 ZINC000879580233 590822436 /nfs/dbraw/zinc/82/24/36/590822436.db2.gz FVIYITKTWRQQHU-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCCCF)CC[C@H]21 ZINC000879580233 590822440 /nfs/dbraw/zinc/82/24/40/590822440.db2.gz FVIYITKTWRQQHU-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580832 590822711 /nfs/dbraw/zinc/82/27/11/590822711.db2.gz UZKDDXJPSOZTAR-FRRDWIJNSA-N 1 3 240.391 1.419 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(C[C@@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580832 590822714 /nfs/dbraw/zinc/82/27/14/590822714.db2.gz UZKDDXJPSOZTAR-FRRDWIJNSA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H]1CC[C@H](CO)N1CCC[NH+]1CCCCC1 ZINC000880439626 591041687 /nfs/dbraw/zinc/04/16/87/591041687.db2.gz FRPVPVDZARFZIG-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H](O)CC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473375 591054374 /nfs/dbraw/zinc/05/43/74/591054374.db2.gz DGZXDVNGNRTQDS-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO c1ccc2c(c1)C[C@@H](CN[C@H]1CCC[NH2+]CC1)O2 ZINC000129157982 591260840 /nfs/dbraw/zinc/26/08/40/591260840.db2.gz QJCTYBRECIJYAD-KBPBESRZSA-N 1 3 246.354 1.722 20 0 BDADHO CN(CCN1CCCCC1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883435531 591666065 /nfs/dbraw/zinc/66/60/65/591666065.db2.gz VMPXMSOSCXOSEC-STQMWFEESA-N 1 3 243.370 1.104 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCN2CCCC2)c2ccccc21 ZINC000131930415 591678646 /nfs/dbraw/zinc/67/86/46/591678646.db2.gz GDKGRTVFQLJSDF-CABCVRRESA-N 1 3 245.370 1.817 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884298658 591898062 /nfs/dbraw/zinc/89/80/62/591898062.db2.gz ZSQCTCKWRGGJSI-CYBMUJFWSA-N 1 3 247.342 1.472 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886330320 592210593 /nfs/dbraw/zinc/21/05/93/592210593.db2.gz QOBBQSULZDHYAD-FRRDWIJNSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2C[C@@H]2C1 ZINC000886330320 592210595 /nfs/dbraw/zinc/21/05/95/592210595.db2.gz QOBBQSULZDHYAD-FRRDWIJNSA-N 1 3 208.349 1.813 20 0 BDADHO CC(C)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219259998 592220511 /nfs/dbraw/zinc/22/05/11/592220511.db2.gz NLNUIYOLEICCJY-WTUNAVPPSA-N 1 3 240.391 1.608 20 0 BDADHO CC(C)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219259998 592220514 /nfs/dbraw/zinc/22/05/14/592220514.db2.gz NLNUIYOLEICCJY-WTUNAVPPSA-N 1 3 240.391 1.608 20 0 BDADHO C1CSC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000220672330 592321671 /nfs/dbraw/zinc/32/16/71/592321671.db2.gz KAAREGDEPKFPJD-QWRGUYRKSA-N 1 3 214.378 1.614 20 0 BDADHO C1CSC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000220672330 592321673 /nfs/dbraw/zinc/32/16/73/592321673.db2.gz KAAREGDEPKFPJD-QWRGUYRKSA-N 1 3 214.378 1.614 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@]23CCOC3)C1 ZINC000886827713 592349760 /nfs/dbraw/zinc/34/97/60/592349760.db2.gz QDPZCHJJXNODFX-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827713 592349767 /nfs/dbraw/zinc/34/97/67/592349767.db2.gz QDPZCHJJXNODFX-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827713 592349773 /nfs/dbraw/zinc/34/97/73/592349773.db2.gz QDPZCHJJXNODFX-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO FCCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874739 592377450 /nfs/dbraw/zinc/37/74/50/592377450.db2.gz VQINYMUBQGDYJJ-GFCCVEGCSA-N 1 3 214.328 1.812 20 0 BDADHO CC[C@H](CNC(=[NH2+])NCC1CC1)N1CCCC1 ZINC000887348613 592484781 /nfs/dbraw/zinc/48/47/81/592484781.db2.gz QNGHUFGTDYWFEO-GFCCVEGCSA-N 1 3 238.379 1.385 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925717382 634453533 /nfs/dbraw/zinc/45/35/33/634453533.db2.gz GARFFODFJRYBBY-RYMFRWLXSA-N 1 3 238.375 1.532 20 0 BDADHO Cc1cc(CN2CCC3(C2)CC[NH2+]CC3)ncn1 ZINC000257708069 634472678 /nfs/dbraw/zinc/47/26/78/634472678.db2.gz RXCUVYNZXMNHHL-UHFFFAOYSA-N 1 3 246.358 1.361 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C[C@@H]1CN ZINC000253179355 634516615 /nfs/dbraw/zinc/51/66/15/634516615.db2.gz CUAWNJXQLKRCRC-UPJWGTAASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C[C@@H]1CN ZINC000253179355 634516621 /nfs/dbraw/zinc/51/66/21/634516621.db2.gz CUAWNJXQLKRCRC-UPJWGTAASA-N 1 3 226.364 1.330 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000925824126 635412002 /nfs/dbraw/zinc/41/20/02/635412002.db2.gz PVKJVACNYLWEFK-VOAKCMCISA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000925824126 635412016 /nfs/dbraw/zinc/41/20/16/635412016.db2.gz PVKJVACNYLWEFK-VOAKCMCISA-N 1 3 236.359 1.413 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC000925826285 635432663 /nfs/dbraw/zinc/43/26/63/635432663.db2.gz GTXMBKQEKMAWJK-PUYPPJJSSA-N 1 3 249.358 1.534 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)O1 ZINC000925841808 635506650 /nfs/dbraw/zinc/50/66/50/635506650.db2.gz SWPHYNABLDVINQ-XVIXHAIJSA-N 1 3 238.375 1.674 20 0 BDADHO CC1(C)CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919046 632012311 /nfs/dbraw/zinc/01/23/11/632012311.db2.gz XHGOFDRXSYNFQW-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC1(C)CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000051919047 632013175 /nfs/dbraw/zinc/01/31/75/632013175.db2.gz XHGOFDRXSYNFQW-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CCNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC000052043347 632053321 /nfs/dbraw/zinc/05/33/21/632053321.db2.gz PCMBKOVEPPNKBI-WCQYABFASA-N 1 3 240.395 1.631 20 0 BDADHO C[C@H](CCO)[NH2+]CC(C)(C)CN1CCCC1 ZINC000309558542 632495054 /nfs/dbraw/zinc/49/50/54/632495054.db2.gz KHMNGDGWWZDCOJ-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@H]1CCOC1 ZINC000253069684 632564252 /nfs/dbraw/zinc/56/42/52/632564252.db2.gz LVBNIXRGCOLEEF-ZDEQEGDKSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@]1(CNC[C@@H]([NH3+])CC(F)F)CCCO1 ZINC000309044879 632625074 /nfs/dbraw/zinc/62/50/74/632625074.db2.gz MKLPPAHONNQFJN-WPRPVWTQSA-N 1 3 222.279 1.128 20 0 BDADHO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000310310796 632717776 /nfs/dbraw/zinc/71/77/76/632717776.db2.gz WMEOQIKXHRHKPD-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C1=CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328461088 633765941 /nfs/dbraw/zinc/76/59/41/633765941.db2.gz URGKJZJTVFCLOP-SNIKSBKOSA-N 1 3 218.344 1.681 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000328508002 633772402 /nfs/dbraw/zinc/77/24/02/633772402.db2.gz ZELCQTCGROWTJM-LZRJYULZSA-N 1 3 220.360 1.761 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCC1(CCO)CCCC1 ZINC000925525594 633904384 /nfs/dbraw/zinc/90/43/84/633904384.db2.gz DHAZXVWJPWLRFE-CHWSQXEVSA-N 1 3 240.391 1.659 20 0 BDADHO C[C@H](O)[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000309978969 634016175 /nfs/dbraw/zinc/01/61/75/634016175.db2.gz VIEBZKSPQHSMDE-QWRGUYRKSA-N 1 3 228.380 1.608 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000053196308 634069957 /nfs/dbraw/zinc/06/99/57/634069957.db2.gz VFEJOARJEMMJPT-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000053196308 634069960 /nfs/dbraw/zinc/06/99/60/634069960.db2.gz VFEJOARJEMMJPT-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000053196306 634070389 /nfs/dbraw/zinc/07/03/89/634070389.db2.gz VFEJOARJEMMJPT-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000053196306 634070395 /nfs/dbraw/zinc/07/03/95/634070395.db2.gz VFEJOARJEMMJPT-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCn2ccnc21 ZINC000925607390 634138433 /nfs/dbraw/zinc/13/84/33/634138433.db2.gz PBTHJPGBRSWPHI-YNEHKIRRSA-N 1 3 248.374 1.491 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000925607390 634138437 /nfs/dbraw/zinc/13/84/37/634138437.db2.gz PBTHJPGBRSWPHI-YNEHKIRRSA-N 1 3 248.374 1.491 20 0 BDADHO C[C@@H](CN[C@@H]1CC[NH2+]C1(C)C)N1CCCCC1 ZINC000925613542 634154688 /nfs/dbraw/zinc/15/46/88/634154688.db2.gz RYPXOVYMYZTQRT-QWHCGFSZSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686897 634298836 /nfs/dbraw/zinc/29/88/36/634298836.db2.gz XKASFLKNQYZBGU-RHYQMDGZSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925686897 634298842 /nfs/dbraw/zinc/29/88/42/634298842.db2.gz XKASFLKNQYZBGU-RHYQMDGZSA-N 1 3 224.348 1.413 20 0 BDADHO COCC1(CN[C@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000925688105 634305631 /nfs/dbraw/zinc/30/56/31/634305631.db2.gz BOGFDOQPZZXFSD-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO COCC(COC)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692489 634324341 /nfs/dbraw/zinc/32/43/41/634324341.db2.gz QJIBRYXSEBVRDT-MNOVXSKESA-N 1 3 244.379 1.143 20 0 BDADHO COC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523825 634346398 /nfs/dbraw/zinc/34/63/98/634346398.db2.gz DKTIHLPDDWBLLX-YEJSDXFRSA-N 1 3 212.337 1.236 20 0 BDADHO COC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523825 634346400 /nfs/dbraw/zinc/34/64/00/634346400.db2.gz DKTIHLPDDWBLLX-YEJSDXFRSA-N 1 3 212.337 1.236 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925699634 634368118 /nfs/dbraw/zinc/36/81/18/634368118.db2.gz LJTZWHLLBDHZKI-ZOBORPQBSA-N 1 3 240.391 1.779 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925701438 634374636 /nfs/dbraw/zinc/37/46/36/634374636.db2.gz ZMGAMRMLHGZKHK-FVCCEPFGSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1CCn2ccnc21 ZINC000925802030 635351689 /nfs/dbraw/zinc/35/16/89/635351689.db2.gz CRAVEWZPMGRFKW-IJLUTSLNSA-N 1 3 234.347 1.163 20 0 BDADHO COC[C@@H](C[NH2+]C1CCNCC1)C(C)C ZINC000925873962 635594844 /nfs/dbraw/zinc/59/48/44/635594844.db2.gz OLFJFCNTXGGPMN-LLVKDONJSA-N 1 3 214.353 1.247 20 0 BDADHO Cc1ccoc1C[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000897621700 636826369 /nfs/dbraw/zinc/82/63/69/636826369.db2.gz ORZDXQQXONUNHN-OCCSQVGLSA-N 1 3 234.343 1.972 20 0 BDADHO Cc1ccoc1C[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000897621700 636826372 /nfs/dbraw/zinc/82/63/72/636826372.db2.gz ORZDXQQXONUNHN-OCCSQVGLSA-N 1 3 234.343 1.972 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C(C)(C)CO)CN1CCCC1 ZINC000924718559 637032461 /nfs/dbraw/zinc/03/24/61/637032461.db2.gz ZKOVJQDABHEYLI-OLZOCXBDSA-N 1 3 242.407 1.715 20 0 BDADHO CCc1noc([C@@H]2CC[C@H]([NH2+]CCCN)C2)n1 ZINC000904428124 637398281 /nfs/dbraw/zinc/39/82/81/637398281.db2.gz DPASUTVFBBINRI-ZJUUUORDSA-N 1 3 238.335 1.207 20 0 BDADHO Cc1ccc(CCCN[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000906517618 638188384 /nfs/dbraw/zinc/18/83/84/638188384.db2.gz IXCNHONANQNFQV-JOCQHMNTSA-N 1 3 219.332 1.402 20 0 BDADHO Cc1ccc(CCC[NH2+][C@H]2C[C@H](N)C2)cn1 ZINC000906517618 638188386 /nfs/dbraw/zinc/18/83/86/638188386.db2.gz IXCNHONANQNFQV-JOCQHMNTSA-N 1 3 219.332 1.402 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000906500770 638195308 /nfs/dbraw/zinc/19/53/08/638195308.db2.gz NNGJWHXGCDSOGU-YPMHNXCESA-N 1 3 248.374 1.203 20 0 BDADHO C[NH2+]CCCNC(=O)[C@H](N)C1CCCCCC1 ZINC000911675648 639718090 /nfs/dbraw/zinc/71/80/90/639718090.db2.gz DXLUOFFCZVXXCU-GFCCVEGCSA-N 1 3 241.379 1.010 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@H](N(C)C)[C@@H]1C ZINC000931038482 640033645 /nfs/dbraw/zinc/03/36/45/640033645.db2.gz RPAJRLHOEDIIQD-AAEUAGOBSA-N 1 3 236.363 1.216 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@H](N(C)C)[C@@H]1C ZINC000931038482 640033650 /nfs/dbraw/zinc/03/36/50/640033650.db2.gz RPAJRLHOEDIIQD-AAEUAGOBSA-N 1 3 236.363 1.216 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931355989 640170446 /nfs/dbraw/zinc/17/04/46/640170446.db2.gz XMAWTLURBTUZGW-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CCC(C)([NH+](C)C)CC1 ZINC000931355989 640170449 /nfs/dbraw/zinc/17/04/49/640170449.db2.gz XMAWTLURBTUZGW-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)CCO1 ZINC000931441033 640206232 /nfs/dbraw/zinc/20/62/32/640206232.db2.gz APHGLGONNHDNIP-XJFOESAGSA-N 1 3 238.375 1.437 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)CCO1 ZINC000931441033 640206241 /nfs/dbraw/zinc/20/62/41/640206241.db2.gz APHGLGONNHDNIP-XJFOESAGSA-N 1 3 238.375 1.437 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)[C@@H]1CN ZINC000226344472 640750945 /nfs/dbraw/zinc/75/09/45/640750945.db2.gz UQFCYRZEUMVRAD-BPLDGKMQSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H]1CN ZINC000226344472 640750949 /nfs/dbraw/zinc/75/09/49/640750949.db2.gz UQFCYRZEUMVRAD-BPLDGKMQSA-N 1 3 248.370 1.779 20 0 BDADHO NC[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226418968 640762574 /nfs/dbraw/zinc/76/25/74/640762574.db2.gz XBRPMDBFXRSKGG-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO NC[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226418968 640762577 /nfs/dbraw/zinc/76/25/77/640762577.db2.gz XBRPMDBFXRSKGG-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO [NH3+]C[C@H]1CCCN(CCCCCCO)C1 ZINC000226418968 640762579 /nfs/dbraw/zinc/76/25/79/640762579.db2.gz XBRPMDBFXRSKGG-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO CSCC[C@H](C)[NH2+]C1CCNCC1 ZINC000228880133 640902780 /nfs/dbraw/zinc/90/27/80/640902780.db2.gz UKOHTFXIXXPIFJ-VIFPVBQESA-N 1 3 202.367 1.470 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCSC1)CN1CCCC1 ZINC000062077976 641018125 /nfs/dbraw/zinc/01/81/25/641018125.db2.gz NQXHLOLIGDCGFR-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO CCN(CCC[NH+](C)C)c1ccnc(CO)c1 ZINC000230728866 641088942 /nfs/dbraw/zinc/08/89/42/641088942.db2.gz OWTQNRKCDQBPLM-UHFFFAOYSA-N 1 3 237.347 1.352 20 0 BDADHO Cc1nc(CNCC2(C)CC[NH2+]CC2)cs1 ZINC000062841839 641098685 /nfs/dbraw/zinc/09/86/85/641098685.db2.gz DNXCOYYSLRTKKO-UHFFFAOYSA-N 1 3 239.388 1.931 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000231347878 641160105 /nfs/dbraw/zinc/16/01/05/641160105.db2.gz ZDILWBHXJZHVMM-AEJSXWLSSA-N 1 3 200.351 1.209 20 0 BDADHO CC(C)OCCN[C@H]1CCC[NH2+]CC1 ZINC000158934011 641657733 /nfs/dbraw/zinc/65/77/33/641657733.db2.gz UTAUFILGTIDPSQ-NSHDSACASA-N 1 3 200.326 1.143 20 0 BDADHO CCO[C@H]1C[C@H](NCC2([NH3+])CCC2)C1(C)C ZINC000233763959 642692731 /nfs/dbraw/zinc/69/27/31/642692731.db2.gz HEWGKXKIYRYGRK-QWRGUYRKSA-N 1 3 226.364 1.661 20 0 BDADHO CCCC[NH+]1CCC(N[C@H]2CCOC2)CC1 ZINC000070967220 643089711 /nfs/dbraw/zinc/08/97/11/643089711.db2.gz VXWZCHJDKYOGAJ-ZDUSSCGKSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@H](CN[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969571 643091790 /nfs/dbraw/zinc/09/17/90/643091790.db2.gz AISRYUWLZDBIMI-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC1)CN1CCCC1 ZINC000070969571 643091795 /nfs/dbraw/zinc/09/17/95/643091795.db2.gz AISRYUWLZDBIMI-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CN(CC1([NH+](C)C)CCC1)c1ccnc(CO)c1 ZINC000097929886 643215483 /nfs/dbraw/zinc/21/54/83/643215483.db2.gz HKRDFNUNRBOECJ-UHFFFAOYSA-N 1 3 249.358 1.494 20 0 BDADHO CN(CC1([NH+](C)C)CCC1)c1ccncc1CO ZINC000097929882 643215818 /nfs/dbraw/zinc/21/58/18/643215818.db2.gz ILZUCZKRWOHPOM-UHFFFAOYSA-N 1 3 249.358 1.494 20 0 BDADHO C[N@H+](CCc1cccs1)C1CCNCC1 ZINC000082602682 643352879 /nfs/dbraw/zinc/35/28/79/643352879.db2.gz VSJPGWSMYKKHDB-UHFFFAOYSA-N 1 3 224.373 1.974 20 0 BDADHO C[N@@H+](CCc1cccs1)C1CCNCC1 ZINC000082602682 643352885 /nfs/dbraw/zinc/35/28/85/643352885.db2.gz VSJPGWSMYKKHDB-UHFFFAOYSA-N 1 3 224.373 1.974 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CCOC2)CC1 ZINC000070964979 643398695 /nfs/dbraw/zinc/39/86/95/643398695.db2.gz RJKHFDPZBUFPMN-LBPRGKRZSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000081051447 644304249 /nfs/dbraw/zinc/30/42/49/644304249.db2.gz SBPJLSLOSYTOPE-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)CC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923282421 644313440 /nfs/dbraw/zinc/31/34/40/644313440.db2.gz VVFUGGRFYZOBGS-STQMWFEESA-N 1 3 228.380 1.454 20 0 BDADHO Cc1ccc([C@H](O)CN2CC[C@H](C[NH3+])C2)cc1 ZINC000923280258 644315815 /nfs/dbraw/zinc/31/58/15/644315815.db2.gz FZHUCMCOPMAUFN-TZMCWYRMSA-N 1 3 234.343 1.309 20 0 BDADHO C[C@@H]1CN(C[C@H](O)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000923291435 644317641 /nfs/dbraw/zinc/31/76/41/644317641.db2.gz SGYSPEZMXQWBAF-YUELXQCFSA-N 1 3 248.370 1.259 20 0 BDADHO CC(C)CC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294984 644333275 /nfs/dbraw/zinc/33/32/75/644333275.db2.gz RYAUAVXNNJNLTB-LBPRGKRZSA-N 1 3 230.396 1.700 20 0 BDADHO C(CNC1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000923305183 644340461 /nfs/dbraw/zinc/34/04/61/644340461.db2.gz VBGINPCFZCGEQL-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000923305183 644340466 /nfs/dbraw/zinc/34/04/66/644340466.db2.gz VBGINPCFZCGEQL-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[NH2+]C1CC1)CN(C[C@@H]1CCOC1)C1CC1 ZINC000923305183 644340473 /nfs/dbraw/zinc/34/04/73/644340473.db2.gz VBGINPCFZCGEQL-LBPRGKRZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000923355804 644373425 /nfs/dbraw/zinc/37/34/25/644373425.db2.gz OGIAGOAKHYNXBF-CABCVRRESA-N 1 3 248.370 1.261 20 0 BDADHO CC(C)CC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923369580 644380339 /nfs/dbraw/zinc/38/03/39/644380339.db2.gz LGILNBPWNMXHFB-NEPJUHHUSA-N 1 3 230.396 1.747 20 0 BDADHO CC(C)CC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923369683 644380389 /nfs/dbraw/zinc/38/03/89/644380389.db2.gz LGILNBPWNMXHFB-VXGBXAGGSA-N 1 3 230.396 1.747 20 0 BDADHO C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)C1(F)F ZINC000923398620 644405248 /nfs/dbraw/zinc/40/52/48/644405248.db2.gz MHLLFVZYWVISIP-QHZLYTNSSA-N 1 3 248.317 1.060 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923415874 644409987 /nfs/dbraw/zinc/40/99/87/644409987.db2.gz RZQBWLDUNOYSMY-AAEUAGOBSA-N 1 3 228.380 1.454 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923415874 644409992 /nfs/dbraw/zinc/40/99/92/644409992.db2.gz RZQBWLDUNOYSMY-AAEUAGOBSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)CC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923419788 644424232 /nfs/dbraw/zinc/42/42/32/644424232.db2.gz CMGCPZQINJUESW-SDDRHHMPSA-N 1 3 228.380 1.499 20 0 BDADHO CC(C)CC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419788 644424238 /nfs/dbraw/zinc/42/42/38/644424238.db2.gz CMGCPZQINJUESW-SDDRHHMPSA-N 1 3 228.380 1.499 20 0 BDADHO CC1(C)C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1N ZINC000923431868 644425167 /nfs/dbraw/zinc/42/51/67/644425167.db2.gz YAPMXWJSJTYUTC-ZIAGYGMSSA-N 1 3 248.370 1.259 20 0 BDADHO CC1(C)C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1N ZINC000923431868 644425171 /nfs/dbraw/zinc/42/51/71/644425171.db2.gz YAPMXWJSJTYUTC-ZIAGYGMSSA-N 1 3 248.370 1.259 20 0 BDADHO c1ccc([C@@H]2C[C@H]2N2CCNCC[NH2+]CC2)cc1 ZINC000923459741 644436160 /nfs/dbraw/zinc/43/61/60/644436160.db2.gz DXKULICPHFKDMR-LSDHHAIUSA-N 1 3 245.370 1.037 20 0 BDADHO CC[C@@H](c1ccccc1)[NH+]1CCNCCNCC1 ZINC000923463952 644448897 /nfs/dbraw/zinc/44/88/97/644448897.db2.gz YCFQOMGKXZNLRB-HNNXBMFYSA-N 1 3 247.386 1.633 20 0 BDADHO CCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000923508643 644477437 /nfs/dbraw/zinc/47/74/37/644477437.db2.gz KXQXNEFRXHFIFV-JHJVBQTASA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000923508643 644477442 /nfs/dbraw/zinc/47/74/42/644477442.db2.gz KXQXNEFRXHFIFV-JHJVBQTASA-N 1 3 228.380 1.597 20 0 BDADHO C[NH2+]CCCN1CCC[C@H](C2CCOCC2)C1 ZINC000923548931 644495793 /nfs/dbraw/zinc/49/57/93/644495793.db2.gz CKUFCHYEAWOISX-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO CCN1CC[C@@H]([NH2+]CC2(C)OCCO2)[C@@H](C)C1 ZINC000245620394 644532893 /nfs/dbraw/zinc/53/28/93/644532893.db2.gz WNTLGBRHQVUBCP-NWDGAFQWSA-N 1 3 242.363 1.069 20 0 BDADHO c1cnn(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250170029 644748536 /nfs/dbraw/zinc/74/85/36/644748536.db2.gz LMZKQSRGHPFMTO-MGPQQGTHSA-N 1 3 248.374 1.393 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924616683 646079133 /nfs/dbraw/zinc/07/91/33/646079133.db2.gz FMJDBTJEFXCBFB-WDNDVIMCSA-N 1 3 242.407 1.977 20 0 BDADHO COCC[N@H+](C)CCCN[C@H](C)C1(Cl)CC1 ZINC000924654312 646086887 /nfs/dbraw/zinc/08/68/87/646086887.db2.gz BJYKCEGDQPZYIU-LLVKDONJSA-N 1 3 248.798 1.704 20 0 BDADHO COCC[N@@H+](C)CCCN[C@H](C)C1(Cl)CC1 ZINC000924654312 646086894 /nfs/dbraw/zinc/08/68/94/646086894.db2.gz BJYKCEGDQPZYIU-LLVKDONJSA-N 1 3 248.798 1.704 20 0 BDADHO COC/C(C)=C/C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000929637263 646209394 /nfs/dbraw/zinc/20/93/94/646209394.db2.gz GAHXWTVOVVDKMV-YQJFHSMKSA-N 1 3 226.364 1.463 20 0 BDADHO COC/C(C)=C/C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000929637263 646209401 /nfs/dbraw/zinc/20/94/01/646209401.db2.gz GAHXWTVOVVDKMV-YQJFHSMKSA-N 1 3 226.364 1.463 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCCN[C@H]1C ZINC000925475518 646289691 /nfs/dbraw/zinc/28/96/91/646289691.db2.gz UZGXNNUIONDVPQ-WCQYABFASA-N 1 3 236.363 1.312 20 0 BDADHO CC[C@@H](CO)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929764164 646294759 /nfs/dbraw/zinc/29/47/59/646294759.db2.gz QMQNRHHKAKJDDS-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H](CO)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764164 646294762 /nfs/dbraw/zinc/29/47/62/646294762.db2.gz QMQNRHHKAKJDDS-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[C@@H](O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925481690 646295152 /nfs/dbraw/zinc/29/51/52/646295152.db2.gz JEXAOZVHSFTWLV-NDBYEHHHSA-N 1 3 240.391 1.514 20 0 BDADHO CCC[C@@H](O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925481690 646295154 /nfs/dbraw/zinc/29/51/54/646295154.db2.gz JEXAOZVHSFTWLV-NDBYEHHHSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCNc1ccccn1 ZINC000925538567 646322368 /nfs/dbraw/zinc/32/23/68/646322368.db2.gz VBSHFOLRUGPWMU-OLZOCXBDSA-N 1 3 248.374 1.614 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925542810 646323799 /nfs/dbraw/zinc/32/37/99/646323799.db2.gz PKEPFTUTVMOTGB-XBFCOCLRSA-N 1 3 245.370 1.872 20 0 BDADHO CC1CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925613856 646349908 /nfs/dbraw/zinc/34/99/08/646349908.db2.gz UBOSKSYNKMDXLV-BPCQOVAHSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](CO)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925614317 646362909 /nfs/dbraw/zinc/36/29/09/646362909.db2.gz WKSFKORJLZYFLY-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CO)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925614317 646362916 /nfs/dbraw/zinc/36/29/16/646362916.db2.gz WKSFKORJLZYFLY-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO CCC1(O)CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925617544 646366095 /nfs/dbraw/zinc/36/60/95/646366095.db2.gz XAUIPKJSCQUPJQ-AHPWVWPOSA-N 1 3 240.391 1.800 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925621237 646367886 /nfs/dbraw/zinc/36/78/86/646367886.db2.gz ZTTSVANMJRFUJT-NDBYEHHHSA-N 1 3 240.391 1.370 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925621237 646367889 /nfs/dbraw/zinc/36/78/89/646367889.db2.gz ZTTSVANMJRFUJT-NDBYEHHHSA-N 1 3 240.391 1.370 20 0 BDADHO C[C@@H](O)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925629289 646373529 /nfs/dbraw/zinc/37/35/29/646373529.db2.gz IPBKKDKOVLQIOX-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](O)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925629289 646373535 /nfs/dbraw/zinc/37/35/35/646373535.db2.gz IPBKKDKOVLQIOX-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO OCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000925644545 646384736 /nfs/dbraw/zinc/38/47/36/646384736.db2.gz NELWLBQSPXEDCP-XQQFMLRXSA-N 1 3 238.375 1.412 20 0 BDADHO CO[C@H](C)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925645341 646386628 /nfs/dbraw/zinc/38/66/28/646386628.db2.gz PLJSLOUCZBIQGI-WYUUTHIRSA-N 1 3 226.364 1.388 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925646968 646387311 /nfs/dbraw/zinc/38/73/11/646387311.db2.gz YNMACCAQSUVXRF-ZDCRXTMVSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646968 646387318 /nfs/dbraw/zinc/38/73/18/646387318.db2.gz YNMACCAQSUVXRF-ZDCRXTMVSA-N 1 3 212.337 1.269 20 0 BDADHO C1[C@@H]2[C@H]1CCC[C@@H]2N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925687002 646412312 /nfs/dbraw/zinc/41/23/12/646412312.db2.gz YJPYBZRQASGGJS-MCPSUGDUSA-N 1 3 232.371 1.761 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCC[C@@H]1O ZINC000925688111 646415454 /nfs/dbraw/zinc/41/54/54/646415454.db2.gz CZYHGRIWPOWXIY-LPWJVIDDSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]1NCCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000925714804 646438812 /nfs/dbraw/zinc/43/88/12/646438812.db2.gz WWJVCRNWLOZKJS-ZWNOBZJWSA-N 1 3 219.332 1.499 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713476 646438867 /nfs/dbraw/zinc/43/88/67/646438867.db2.gz UBDFJPNXWQSJNQ-BDWVWCEQSA-N 1 3 236.359 1.425 20 0 BDADHO CC(C)CC[C@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925718139 646442592 /nfs/dbraw/zinc/44/25/92/646442592.db2.gz HJHBZACPRGANJE-FRRDWIJNSA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H](NCc1cc(N)ccn1)[C@H]1CCCC[NH2+]1 ZINC000925765465 646466264 /nfs/dbraw/zinc/46/62/64/646466264.db2.gz BUFHFGIMVWCMNA-ZWNOBZJWSA-N 1 3 234.347 1.284 20 0 BDADHO Nc1ccnc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000925767410 646468980 /nfs/dbraw/zinc/46/89/80/646468980.db2.gz OLROJDOBNHVUOA-GWCFXTLKSA-N 1 3 234.347 1.271 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cc(N)ccn1 ZINC000925768788 646469465 /nfs/dbraw/zinc/46/94/65/646469465.db2.gz XFGKMGSQEMDTBW-GWCFXTLKSA-N 1 3 234.347 1.142 20 0 BDADHO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925785605 646480687 /nfs/dbraw/zinc/48/06/87/646480687.db2.gz PYOPGUFSUZPAAM-FVCCEPFGSA-N 1 3 226.364 1.389 20 0 BDADHO CCC[C@H](O)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000925855354 646509752 /nfs/dbraw/zinc/50/97/52/646509752.db2.gz GYTSACVZSVHLEZ-HNGCFSAESA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1COC[C@H]1C)N1CCCCC1 ZINC000926144409 646583458 /nfs/dbraw/zinc/58/34/58/646583458.db2.gz PKVIZROKYBZABT-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](CCN[C@@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144409 646583461 /nfs/dbraw/zinc/58/34/61/646583461.db2.gz PKVIZROKYBZABT-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CC[NH2+][C@H]1COC[C@H]1C)N1CCCCC1 ZINC000926144410 646583537 /nfs/dbraw/zinc/58/35/37/646583537.db2.gz PKVIZROKYBZABT-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CCN[C@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144410 646583541 /nfs/dbraw/zinc/58/35/41/646583541.db2.gz PKVIZROKYBZABT-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCOC1 ZINC000926142648 646583899 /nfs/dbraw/zinc/58/38/99/646583899.db2.gz PCXJCROFNBGKFR-HABKJSAYSA-N 1 3 238.375 1.343 20 0 BDADHO Cc1n[nH]cc1CN(C)CCCCCC[NH3+] ZINC000724776974 711611049 /nfs/dbraw/zinc/61/10/49/711611049.db2.gz RJOUZZQYMKCIMX-UHFFFAOYSA-N 1 3 224.352 1.669 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@H]([C@@H](C)N)C1)C(C)C ZINC000721913918 711918475 /nfs/dbraw/zinc/91/84/75/711918475.db2.gz QQKQFULMHPWAHT-RDBSUJKOSA-N 1 3 242.407 1.964 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@H]([C@@H](C)N)C1)C(C)C ZINC000721913918 711918476 /nfs/dbraw/zinc/91/84/76/711918476.db2.gz QQKQFULMHPWAHT-RDBSUJKOSA-N 1 3 242.407 1.964 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1CCC(F)(F)C1)C2 ZINC000702096640 712038543 /nfs/dbraw/zinc/03/85/43/712038543.db2.gz AYCDXHXUNAZIAC-GRYCIOLGSA-N 1 3 244.329 1.963 20 0 BDADHO COC1CC(C[N@@H+]2CC[C@H](C)[C@@H](CN)C2)C1 ZINC000703855593 712091129 /nfs/dbraw/zinc/09/11/29/712091129.db2.gz VQDLSSMZUJPJGR-QCXCNERSSA-N 1 3 226.364 1.328 20 0 BDADHO COC1CC(C[N@H+]2CC[C@H](C)[C@@H](CN)C2)C1 ZINC000703855593 712091131 /nfs/dbraw/zinc/09/11/31/712091131.db2.gz VQDLSSMZUJPJGR-QCXCNERSSA-N 1 3 226.364 1.328 20 0 BDADHO CC1(C)CO[C@H](C[N@@H+]2CCCC[C@@H]2CN)C1 ZINC000708330375 712187736 /nfs/dbraw/zinc/18/77/36/712187736.db2.gz INTZXGMGFUJPKT-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO CC1(C)CO[C@H](C[N@H+]2CCCC[C@@H]2CN)C1 ZINC000708330375 712187738 /nfs/dbraw/zinc/18/77/38/712187738.db2.gz INTZXGMGFUJPKT-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CC[C@H]1[NH3+] ZINC000708332119 712188184 /nfs/dbraw/zinc/18/81/84/712188184.db2.gz PHLCUMQOWMGDJD-JHJVBQTASA-N 1 3 240.391 1.861 20 0 BDADHO CC(C)([NH3+])CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711552007 712309338 /nfs/dbraw/zinc/30/93/38/712309338.db2.gz MYGGFXWHMKMNQN-DTORHVGOSA-N 1 3 200.351 1.019 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CN(C)C ZINC000378907094 712366771 /nfs/dbraw/zinc/36/67/71/712366771.db2.gz ZQEFCAFWKBNHEK-NDBYEHHHSA-N 1 3 210.365 1.962 20 0 BDADHO CC1(C)CCC[C@H](CN2CC[C@H](C[NH3+])C2)O1 ZINC000714375672 712484626 /nfs/dbraw/zinc/48/46/26/712484626.db2.gz VWSGQDFUIHRVGP-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO CN(C[C@H](O)CC1CCCC1)C1CC([NH3+])C1 ZINC000384949134 712707033 /nfs/dbraw/zinc/70/70/33/712707033.db2.gz FYBWGVBGMYRVGB-WXRRBKDZSA-N 1 3 226.364 1.349 20 0 BDADHO CC[C@@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720291372 712830178 /nfs/dbraw/zinc/83/01/78/712830178.db2.gz FBCGRZRNLHQDFX-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](C)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720869949 712871651 /nfs/dbraw/zinc/87/16/51/712871651.db2.gz AHEGJGOCWWIQKH-XHNCKOQMSA-N 1 3 224.270 1.854 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000381204660 710608023 /nfs/dbraw/zinc/60/80/23/710608023.db2.gz CNTRSWCCAVRNNT-YVECIDJPSA-N 1 3 224.348 1.095 20 0 BDADHO CN(Cc1cc[nH]n1)C1CCC([NH3+])CC1 ZINC000390491290 711120011 /nfs/dbraw/zinc/12/00/11/711120011.db2.gz QMSRVSGYUNFEPT-UHFFFAOYSA-N 1 3 208.309 1.111 20 0 BDADHO C[C@H]1C[C@@H](NCCOC2CCC2)CC[N@@H+]1C ZINC000390593262 711128292 /nfs/dbraw/zinc/12/82/92/711128292.db2.gz ZUWWFTUNGIMEIT-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]1C[C@@H](NCCOC2CCC2)CC[N@H+]1C ZINC000390593262 711128297 /nfs/dbraw/zinc/12/82/97/711128297.db2.gz ZUWWFTUNGIMEIT-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO CSCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396545392 711353934 /nfs/dbraw/zinc/35/39/34/711353934.db2.gz DPPICZYYTSIWLM-ZJUUUORDSA-N 1 3 202.367 1.470 20 0 BDADHO C[C@@H](CN[C@@H]1CCC[NH2+][C@H]1C)N1CCCCC1 ZINC000396570258 711354703 /nfs/dbraw/zinc/35/47/03/711354703.db2.gz AJTXQOYHCNFBJT-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](CN[C@H]1CCC[NH2+][C@H]1C)N1CCCCC1 ZINC000396570257 711354823 /nfs/dbraw/zinc/35/48/23/711354823.db2.gz AJTXQOYHCNFBJT-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CCCCO1 ZINC000396602622 711355022 /nfs/dbraw/zinc/35/50/22/711355022.db2.gz NVNJLCCCBIMLJO-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO CCCN(C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000381266951 710615125 /nfs/dbraw/zinc/61/51/25/710615125.db2.gz ULGUJOBONNWZCP-CYBMUJFWSA-N 1 3 226.364 1.318 20 0 BDADHO COC[C@@H](C[N@@H+]1CC[C@@H](CN)C1)C(C)C ZINC000721915168 710692831 /nfs/dbraw/zinc/69/28/31/710692831.db2.gz UDXBEBARNXRJAE-NWDGAFQWSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@@H](C[N@H+]1CC[C@@H](CN)C1)C(C)C ZINC000721915168 710692832 /nfs/dbraw/zinc/69/28/32/710692832.db2.gz UDXBEBARNXRJAE-NWDGAFQWSA-N 1 3 214.353 1.186 20 0 BDADHO FC1(F)CC(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000383195287 710979147 /nfs/dbraw/zinc/97/91/47/710979147.db2.gz XQVHLCQQYVYDJT-NGDQXYMTSA-N 1 3 242.313 1.618 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000723122562 711505833 /nfs/dbraw/zinc/50/58/33/711505833.db2.gz QSQFDQZFABLETF-FVCCEPFGSA-N 1 3 210.365 1.949 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000723122562 711505836 /nfs/dbraw/zinc/50/58/36/711505836.db2.gz QSQFDQZFABLETF-FVCCEPFGSA-N 1 3 210.365 1.949 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313147684 711713905 /nfs/dbraw/zinc/71/39/05/711713905.db2.gz SVKKGPINQDGLAT-NEPJUHHUSA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@H](NCc1cc(N)ccn1)[C@H]1CCCC[NH2+]1 ZINC000925767398 711740109 /nfs/dbraw/zinc/74/01/09/711740109.db2.gz ODZUDMPBMFSUGY-UONOGXRCSA-N 1 3 248.374 1.674 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@@H]2CCN)C1 ZINC000721926346 711937697 /nfs/dbraw/zinc/93/76/97/711937697.db2.gz DUSNMVFBTZVMPV-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCCC[C@@H]2CCN)C1 ZINC000721926346 711937699 /nfs/dbraw/zinc/93/76/99/711937699.db2.gz DUSNMVFBTZVMPV-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)C1 ZINC000721959064 711948119 /nfs/dbraw/zinc/94/81/19/711948119.db2.gz DVWSGUXTMKOSGO-POQQGIQPSA-N 1 3 240.391 1.717 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)C1 ZINC000721959064 711948120 /nfs/dbraw/zinc/94/81/20/711948120.db2.gz DVWSGUXTMKOSGO-POQQGIQPSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CCO[C@H](C)C1)N(C)C ZINC000700421937 711992924 /nfs/dbraw/zinc/99/29/24/711992924.db2.gz HMOZGDLSJXWKKL-TUAOUCFPSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CC(F)F ZINC000700029608 711983239 /nfs/dbraw/zinc/98/32/39/711983239.db2.gz NSPROQFMMPIUBT-FABMZRAQSA-N 1 3 244.329 1.864 20 0 BDADHO COC1CC([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000700506892 711995287 /nfs/dbraw/zinc/99/52/87/711995287.db2.gz CRCPXGZEASIMHA-KPPDAEKUSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000701017742 712011705 /nfs/dbraw/zinc/01/17/05/712011705.db2.gz QMJYEKWIDHGKDH-LREJFELKSA-N 1 3 238.375 1.658 20 0 BDADHO CCO[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000701718521 712028117 /nfs/dbraw/zinc/02/81/17/712028117.db2.gz RXJMIHPRICSIEB-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CCCCCCO)C2 ZINC000702461994 712053628 /nfs/dbraw/zinc/05/36/28/712053628.db2.gz WWRQQEHWWDOKJY-OKILXGFUSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCC(F)(F)CC1 ZINC000702806873 712061238 /nfs/dbraw/zinc/06/12/38/712061238.db2.gz MFWBRUQUKOIGOM-MNOVXSKESA-N 1 3 232.318 1.963 20 0 BDADHO COC1CC(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000703866757 712091712 /nfs/dbraw/zinc/09/17/12/712091712.db2.gz NRPWLRHAHWDUOA-YIOUJQMASA-N 1 3 238.375 1.472 20 0 BDADHO COC1CC(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000703866757 712091713 /nfs/dbraw/zinc/09/17/13/712091713.db2.gz NRPWLRHAHWDUOA-YIOUJQMASA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1C[N@H+](CC2CC(OC)C2)CC[C@H]1N ZINC000703909244 712094256 /nfs/dbraw/zinc/09/42/56/712094256.db2.gz YLSAMDBBCMMBOZ-POOIEITISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[N@@H+](CC2CC(OC)C2)CC[C@H]1N ZINC000703909244 712094258 /nfs/dbraw/zinc/09/42/58/712094258.db2.gz YLSAMDBBCMMBOZ-POOIEITISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(CC2CC(OC)C2)CC[C@H]1[NH3+] ZINC000703909244 712094260 /nfs/dbraw/zinc/09/42/60/712094260.db2.gz YLSAMDBBCMMBOZ-POOIEITISA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H](NC1CCC(C)(O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000705832011 712136502 /nfs/dbraw/zinc/13/65/02/712136502.db2.gz SCHLDNKZAPEZQU-AHPWVWPOSA-N 1 3 240.391 1.800 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@]2(CCOC2)C1 ZINC000707649615 712176413 /nfs/dbraw/zinc/17/64/13/712176413.db2.gz GDWMUDLHILPISF-ZDUSSCGKSA-N 1 3 224.348 1.241 20 0 BDADHO CC1(C)CO[C@@H](CN2CCC[C@H](C[NH3+])C2)C1 ZINC000708332144 712188331 /nfs/dbraw/zinc/18/83/31/712188331.db2.gz PMQHDYGCKXYEMX-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO Cc1ccc(OCCN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000708839368 712200700 /nfs/dbraw/zinc/20/07/00/712200700.db2.gz CWDHGJGCJISVIS-ZIAGYGMSSA-N 1 3 248.370 1.900 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNc2cc(C)nc(N)n2)C1 ZINC000710337080 712252266 /nfs/dbraw/zinc/25/22/66/712252266.db2.gz MXEYSMAZWHHERY-LLVKDONJSA-N 1 3 249.362 1.511 20 0 BDADHO CCC[N@H+]1CC[C@H](CNc2cc(C)nc(N)n2)C1 ZINC000710337080 712252267 /nfs/dbraw/zinc/25/22/67/712252267.db2.gz MXEYSMAZWHHERY-LLVKDONJSA-N 1 3 249.362 1.511 20 0 BDADHO FC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000711446218 712300591 /nfs/dbraw/zinc/30/05/91/712300591.db2.gz WCXUGARCEQDYKP-NWDGAFQWSA-N 1 3 214.328 1.668 20 0 BDADHO C[N@@H+]1CC[C@H]1CNc1ccnc2ccccc21 ZINC000712593868 712435383 /nfs/dbraw/zinc/43/53/83/712435383.db2.gz FLXAKJUEHCWWDZ-NSHDSACASA-N 1 3 227.311 1.773 20 0 BDADHO C[N@H+]1CC[C@H]1CNc1ccnc2ccccc21 ZINC000712593868 712435384 /nfs/dbraw/zinc/43/53/84/712435384.db2.gz FLXAKJUEHCWWDZ-NSHDSACASA-N 1 3 227.311 1.773 20 0 BDADHO CCN1CC[C@@H]1CNc1cc[nH+]cc1C ZINC000712565563 712446247 /nfs/dbraw/zinc/44/62/47/712446247.db2.gz QOAZDBKQIUTHPE-LLVKDONJSA-N 1 3 205.305 1.318 20 0 BDADHO CCOCC[N@@H+]1CCNCCC12CCC2 ZINC000713176137 712453221 /nfs/dbraw/zinc/45/32/21/712453221.db2.gz NUDZYWBPZIRDQY-UHFFFAOYSA-N 1 3 212.337 1.241 20 0 BDADHO CCOCC[N@H+]1CCNCCC12CCC2 ZINC000713176137 712453222 /nfs/dbraw/zinc/45/32/22/712453222.db2.gz NUDZYWBPZIRDQY-UHFFFAOYSA-N 1 3 212.337 1.241 20 0 BDADHO CN(C[C@@H]1CC[C@@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511594 712524612 /nfs/dbraw/zinc/52/46/12/712524612.db2.gz SLRJWRRBVSBLLX-STQMWFEESA-N 1 3 240.391 1.861 20 0 BDADHO CCN1CCC([NH2+]Cc2[nH]nc(C)c2C)CC1 ZINC000716463473 712563094 /nfs/dbraw/zinc/56/30/94/712563094.db2.gz NREPTPOZELFVPY-UHFFFAOYSA-N 1 3 236.363 1.600 20 0 BDADHO C[C@@H](NC[C@@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592643 712564482 /nfs/dbraw/zinc/56/44/82/712564482.db2.gz FNIABWZEWHMLMS-YPMHNXCESA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925488978 712615153 /nfs/dbraw/zinc/61/51/53/712615153.db2.gz HSHJHIOXIWTEGT-MGPQQGTHSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340350 712649625 /nfs/dbraw/zinc/64/96/25/712649625.db2.gz SBOAPIZYPIXKAA-GHMZBOCLSA-N 1 3 248.317 1.246 20 0 BDADHO CC1(C)CO[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000717601023 712662034 /nfs/dbraw/zinc/66/20/34/712662034.db2.gz PIAGCUFOJBJYLX-HNGCFSAESA-N 1 3 238.375 1.674 20 0 BDADHO [NH3+][C@H]1C[C@H](NCC2(CO)CCC2)C12CCC2 ZINC000717639678 712665889 /nfs/dbraw/zinc/66/58/89/712665889.db2.gz FECMZVATDVHOBX-QWRGUYRKSA-N 1 3 224.348 1.009 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCC2(CO)CCC2)C12CCC2 ZINC000717639674 712665938 /nfs/dbraw/zinc/66/59/38/712665938.db2.gz FECMZVATDVHOBX-MNOVXSKESA-N 1 3 224.348 1.009 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)c2ccsc2)C1 ZINC000300400987 712670628 /nfs/dbraw/zinc/67/06/28/712670628.db2.gz HPJUXBDKWVKXMA-UTUOFQBUSA-N 1 3 240.372 1.641 20 0 BDADHO CC(C)CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720874201 712873353 /nfs/dbraw/zinc/87/33/53/712873353.db2.gz WSGJTCHDZYFEGV-BDAKNGLRSA-N 1 3 224.270 1.711 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2COCC2(C)C)C1 ZINC000693025892 957514237 /nfs/dbraw/zinc/51/42/37/957514237.db2.gz GEOMFLJSCXFHQK-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2COCC2(C)C)C1 ZINC000693025892 957514246 /nfs/dbraw/zinc/51/42/46/957514246.db2.gz GEOMFLJSCXFHQK-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000693025892 957514262 /nfs/dbraw/zinc/51/42/62/957514262.db2.gz GEOMFLJSCXFHQK-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H]1C[C@@H](N2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033034 958488311 /nfs/dbraw/zinc/48/83/11/958488311.db2.gz MUZGLSWZSPBXGG-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO NC[C@@H]1CCCC[N@H+](CCCCCO)C1 ZINC000308850326 959525081 /nfs/dbraw/zinc/52/50/81/959525081.db2.gz MOIMCJLHCSKMAM-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](CCCCCO)C1 ZINC000308850326 959525099 /nfs/dbraw/zinc/52/50/99/959525099.db2.gz MOIMCJLHCSKMAM-LBPRGKRZSA-N 1 3 214.353 1.210 20 0 BDADHO CC[C@H](O)CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692581784 960309370 /nfs/dbraw/zinc/30/93/70/960309370.db2.gz WFIIEEJOEHFGLW-WYUUTHIRSA-N 1 3 214.353 1.205 20 0 BDADHO Nc1ccnc(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001160145869 964257157 /nfs/dbraw/zinc/25/71/57/964257157.db2.gz WRNUMMSPJDVEAW-JTQLQIEISA-N 1 3 206.293 1.218 20 0 BDADHO O=C1CC(NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168356700 964515238 /nfs/dbraw/zinc/51/52/38/964515238.db2.gz TVDNCFSJAZKLER-UHFFFAOYSA-N 1 3 222.332 1.182 20 0 BDADHO COC[C@@H]1CC[N@H+]1C1CCN(CC2CC2)CC1 ZINC001168395206 965143347 /nfs/dbraw/zinc/14/33/47/965143347.db2.gz QGDLQMUQBBVBRV-AWEZNQCLSA-N 1 3 238.375 1.582 20 0 BDADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC)N(C)C ZINC001484765932 966516073 /nfs/dbraw/zinc/51/60/73/966516073.db2.gz XUXAPTRKYHNMKE-LBPRGKRZSA-N 1 3 243.395 1.127 20 0 BDADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC)N(C)C ZINC001484765932 966516083 /nfs/dbraw/zinc/51/60/83/966516083.db2.gz XUXAPTRKYHNMKE-LBPRGKRZSA-N 1 3 243.395 1.127 20 0 BDADHO C[C@H]1C[N@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC001205130479 967375292 /nfs/dbraw/zinc/37/52/92/967375292.db2.gz FSUDNMPIUBBNSO-ZJQBRPOHSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@H]1C[N@@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC001205130479 967375302 /nfs/dbraw/zinc/37/53/02/967375302.db2.gz FSUDNMPIUBBNSO-ZJQBRPOHSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803316 967826518 /nfs/dbraw/zinc/82/65/18/967826518.db2.gz GBOMHPKOCYZWML-UTUOFQBUSA-N 1 3 242.363 1.197 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC001205803316 967826520 /nfs/dbraw/zinc/82/65/20/967826520.db2.gz GBOMHPKOCYZWML-UTUOFQBUSA-N 1 3 242.363 1.197 20 0 BDADHO C[NH+](C)CC(C)(C)CNc1cccc(CN)n1 ZINC001168769394 968646958 /nfs/dbraw/zinc/64/69/58/968646958.db2.gz QGUXJLBSMHALOA-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO COC[C@@H]1CC[N@@H+]1CC(C)(C)CN(C)C ZINC001207284943 968716337 /nfs/dbraw/zinc/71/63/37/968716337.db2.gz VHVDHZYHBXNOJK-NSHDSACASA-N 1 3 214.353 1.295 20 0 BDADHO COC[C@@H]1CC[N@H+]1CC(C)(C)CN(C)C ZINC001207284943 968716345 /nfs/dbraw/zinc/71/63/45/968716345.db2.gz VHVDHZYHBXNOJK-NSHDSACASA-N 1 3 214.353 1.295 20 0 BDADHO C[NH+]1CCC(C)(CN2CC[C@H](F)C2)CC1 ZINC001208107918 969003585 /nfs/dbraw/zinc/00/35/85/969003585.db2.gz NANWUQAJTAOVJM-NSHDSACASA-N 1 3 214.328 1.762 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN[C@@H]1CC[C@@H](F)C1 ZINC001253202550 969107838 /nfs/dbraw/zinc/10/78/38/969107838.db2.gz KAZYSMWEIXXJSP-UTUOFQBUSA-N 1 3 232.343 1.169 20 0 BDADHO CC[NH+](CC)C[C@H](O)CNC1(CC2CC2)CC1 ZINC001253214043 969116446 /nfs/dbraw/zinc/11/64/46/969116446.db2.gz NFNVDJXSOVDHGK-CYBMUJFWSA-N 1 3 240.391 1.611 20 0 BDADHO COCOCCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001209032392 969325160 /nfs/dbraw/zinc/32/51/60/969325160.db2.gz SOVATWMGPNFUGY-ZDUSSCGKSA-N 1 3 242.363 1.025 20 0 BDADHO COCOCCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001209032392 969325164 /nfs/dbraw/zinc/32/51/64/969325164.db2.gz SOVATWMGPNFUGY-ZDUSSCGKSA-N 1 3 242.363 1.025 20 0 BDADHO COCCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209219334 969404041 /nfs/dbraw/zinc/40/40/41/969404041.db2.gz IPIRRKNZYPKTOA-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO CCCN1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254524448 969712733 /nfs/dbraw/zinc/71/27/33/969712733.db2.gz BWWMZTLGFJGAIU-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCCN1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254524448 969712734 /nfs/dbraw/zinc/71/27/34/969712734.db2.gz BWWMZTLGFJGAIU-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@](C)(O)C1 ZINC001255945333 970575088 /nfs/dbraw/zinc/57/50/88/970575088.db2.gz KLVFQKYWOUOZIF-AVGNSLFASA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)C(C)(C)O ZINC001255950821 970582274 /nfs/dbraw/zinc/58/22/74/970582274.db2.gz CNKKWCBVYMNZNQ-NWDGAFQWSA-N 1 3 230.396 1.856 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956993 970592166 /nfs/dbraw/zinc/59/21/66/970592166.db2.gz NVHRUZJTNGUCAK-MJBXVCDLSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1[C@@H](C)CC[C@H]1CO ZINC001255956993 970592181 /nfs/dbraw/zinc/59/21/81/970592181.db2.gz NVHRUZJTNGUCAK-MJBXVCDLSA-N 1 3 242.407 1.952 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1[C@@H](C)CC[C@H]1CO ZINC001255956993 970592186 /nfs/dbraw/zinc/59/21/86/970592186.db2.gz NVHRUZJTNGUCAK-MJBXVCDLSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956479 970597732 /nfs/dbraw/zinc/59/77/32/970597732.db2.gz KHZRIUNIVUFSQQ-IHRRRGAJSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H](C)C[C@H]1CO ZINC001255956479 970597738 /nfs/dbraw/zinc/59/77/38/970597738.db2.gz KHZRIUNIVUFSQQ-IHRRRGAJSA-N 1 3 242.407 1.810 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H](C)C[C@H]1CO ZINC001255956479 970597747 /nfs/dbraw/zinc/59/77/47/970597747.db2.gz KHZRIUNIVUFSQQ-IHRRRGAJSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@H](C[NH3+])CN(C)[C@@H]1CCc2ncsc2C1 ZINC001173131944 975041257 /nfs/dbraw/zinc/04/12/57/975041257.db2.gz NRUATEIRGRDQBF-NXEZZACHSA-N 1 3 239.388 1.527 20 0 BDADHO COC(=O)CCCC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001173444544 975386432 /nfs/dbraw/zinc/38/64/32/975386432.db2.gz KLAKAHNNFNSBNP-NEPJUHHUSA-N 1 3 244.379 1.635 20 0 BDADHO COC(=O)CCCC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001173444544 975386437 /nfs/dbraw/zinc/38/64/37/975386437.db2.gz KLAKAHNNFNSBNP-NEPJUHHUSA-N 1 3 244.379 1.635 20 0 BDADHO CCCCCN1CCN(C[C@@H](C)[NH3+])CC1 ZINC001235689933 979117416 /nfs/dbraw/zinc/11/74/16/979117416.db2.gz CNLCRQTZVAVNJE-GFCCVEGCSA-N 1 3 213.369 1.141 20 0 BDADHO CC[C@H](C)COC(=O)NCCC[NH2+]CCCN ZINC001239325326 980532877 /nfs/dbraw/zinc/53/28/77/980532877.db2.gz IMQSNIBQSHXRGC-NSHDSACASA-N 1 3 245.367 1.087 20 0 BDADHO c1cc(CCCNC[C@@]23C[C@@H]2C[NH2+]C3)cs1 ZINC001580887815 981717560 /nfs/dbraw/zinc/71/75/60/981717560.db2.gz JOCHJEHZGAETGV-CHWSQXEVSA-N 1 3 236.384 1.880 20 0 BDADHO C([C@H]1CCC[NH2+]C1)N1CCC[C@@H]2OCC[C@@H]21 ZINC001350399841 981964303 /nfs/dbraw/zinc/96/43/03/981964303.db2.gz ZMPATRHBACCPAH-AVGNSLFASA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001358005050 983813309 /nfs/dbraw/zinc/81/33/09/983813309.db2.gz UPBDZZKTECLAOT-KKOKHZNYSA-N 1 3 241.379 1.136 20 0 BDADHO CCOCC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001172416754 974684536 /nfs/dbraw/zinc/68/45/36/974684536.db2.gz PWOIAANSGRBXCB-MNOVXSKESA-N 1 3 202.342 1.328 20 0 BDADHO CCOCC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172416754 974684539 /nfs/dbraw/zinc/68/45/39/974684539.db2.gz PWOIAANSGRBXCB-MNOVXSKESA-N 1 3 202.342 1.328 20 0 BDADHO CC(C)COCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001172463390 974828240 /nfs/dbraw/zinc/82/82/40/974828240.db2.gz NQGZHEINWXIKAG-VXGBXAGGSA-N 1 3 216.369 1.622 20 0 BDADHO C[C@@H]1CC([N@@H+]2CCC[C@H](N)CC2)C[C@@H](C)O1 ZINC001246546502 972643183 /nfs/dbraw/zinc/64/31/83/972643183.db2.gz NAMDGSLLRGTCSN-UTUOFQBUSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@@H]1CC([N@H+]2CCC[C@H](N)CC2)C[C@@H](C)O1 ZINC001246546502 972643193 /nfs/dbraw/zinc/64/31/93/972643193.db2.gz NAMDGSLLRGTCSN-UTUOFQBUSA-N 1 3 226.364 1.756 20 0 BDADHO CCCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582474 972940702 /nfs/dbraw/zinc/94/07/02/972940702.db2.gz ZJIWXNJURGZAOU-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582474 972940726 /nfs/dbraw/zinc/94/07/26/972940726.db2.gz ZJIWXNJURGZAOU-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CCN(CCOC)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621666 970888445 /nfs/dbraw/zinc/88/84/45/970888445.db2.gz ZQMPWCGYWUCJIZ-FUNVUKJBSA-N 1 3 226.364 1.580 20 0 BDADHO CCN(CCOC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621666 970888447 /nfs/dbraw/zinc/88/84/47/970888447.db2.gz ZQMPWCGYWUCJIZ-FUNVUKJBSA-N 1 3 226.364 1.580 20 0 BDADHO CCC[N@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256689155 970920176 /nfs/dbraw/zinc/92/01/76/970920176.db2.gz RCAAAUSPIUPRFY-UHFFFAOYSA-N 1 3 240.391 1.972 20 0 BDADHO CCC[N@@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256689155 970920197 /nfs/dbraw/zinc/92/01/97/970920197.db2.gz RCAAAUSPIUPRFY-UHFFFAOYSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)Cc1ccncc1 ZINC001256730957 970952446 /nfs/dbraw/zinc/95/24/46/970952446.db2.gz YPOVQHZYZVYUQV-QWRGUYRKSA-N 1 3 207.321 1.197 20 0 BDADHO CC(C)[NH+]1CCC(N(C)[C@@H]2CCOC2)CC1 ZINC001257216776 971134989 /nfs/dbraw/zinc/13/49/89/971134989.db2.gz ILBILFYTSLQBFG-CYBMUJFWSA-N 1 3 226.364 1.580 20 0 BDADHO COC[C@H]([NH2+][C@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405223471 971211891 /nfs/dbraw/zinc/21/18/91/971211891.db2.gz NNGKFJUWCBHAAG-SRVKXCTJSA-N 1 3 224.348 1.271 20 0 BDADHO CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405284911 971225710 /nfs/dbraw/zinc/22/57/10/971225710.db2.gz VMQFKVUBCGFIFF-SYEHKZFSSA-N 1 3 238.375 1.659 20 0 BDADHO CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405284909 971228977 /nfs/dbraw/zinc/22/89/77/971228977.db2.gz VMQFKVUBCGFIFF-RYDUCSDGSA-N 1 3 238.375 1.659 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCC2(O)CCC2)C12CCC2 ZINC000405299740 971230026 /nfs/dbraw/zinc/23/00/26/971230026.db2.gz ITVJWORILYGEBO-MNOVXSKESA-N 1 3 224.348 1.151 20 0 BDADHO CCOC[C@H]([NH2+][C@H]1C[C@@H](N)C12CCC2)C(C)C ZINC000405357091 971242885 /nfs/dbraw/zinc/24/28/85/971242885.db2.gz RRKPEUPFJWNKGY-XQQFMLRXSA-N 1 3 240.391 1.907 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405368054 971244372 /nfs/dbraw/zinc/24/43/72/971244372.db2.gz XMVUSVCQPMEJKK-VWYCJHECSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](COC)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405368054 971244379 /nfs/dbraw/zinc/24/43/79/971244379.db2.gz XMVUSVCQPMEJKK-VWYCJHECSA-N 1 3 212.337 1.271 20 0 BDADHO COC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)C(C)C ZINC000405444207 971253484 /nfs/dbraw/zinc/25/34/84/971253484.db2.gz WDSVYIBCCRMXOU-QJPTWQEYSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)[C@@H](C)O1 ZINC000405445790 971259738 /nfs/dbraw/zinc/25/97/38/971259738.db2.gz WPJBZFWODPRMEK-RMPHRYRLSA-N 1 3 224.348 1.412 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](N)C23CCC3)[C@@H](C)O1 ZINC000405445790 971259750 /nfs/dbraw/zinc/25/97/50/971259750.db2.gz WPJBZFWODPRMEK-RMPHRYRLSA-N 1 3 224.348 1.412 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCO2)C12CCC2 ZINC000405506321 971266340 /nfs/dbraw/zinc/26/63/40/971266340.db2.gz RXYURRRVNDAPGO-MXWKQRLJSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCCO2)C12CCC2 ZINC000405506321 971266346 /nfs/dbraw/zinc/26/63/46/971266346.db2.gz RXYURRRVNDAPGO-MXWKQRLJSA-N 1 3 210.321 1.025 20 0 BDADHO C[C@@H]1OC[C@H](NCC(C)(C)C[NH+](C)C)[C@@H]1C ZINC000405712792 971294297 /nfs/dbraw/zinc/29/42/97/971294297.db2.gz GUKMMQQBDHDRPY-WOPDTQHZSA-N 1 3 228.380 1.587 20 0 BDADHO CN(C)CC[NH+](CCN(C)C)C1CCCCC1 ZINC001257459345 971383802 /nfs/dbraw/zinc/38/38/02/971383802.db2.gz FWDZXVHOTAGPOR-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CC(C)C[NH+]1CCC(N2CC(N(C)C)C2)CC1 ZINC001258012035 971553615 /nfs/dbraw/zinc/55/36/15/971553615.db2.gz RSTDGLDVAVHXBS-UHFFFAOYSA-N 1 3 239.407 1.353 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CC[NH2+]C3(CC3)C2)n1 ZINC001158936663 971589726 /nfs/dbraw/zinc/58/97/26/971589726.db2.gz NJBNAAUDWJCEEH-UHFFFAOYSA-N 1 3 242.326 1.814 20 0 BDADHO F[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2c1CNC2 ZINC001218322061 971709797 /nfs/dbraw/zinc/70/97/97/971709797.db2.gz FYVXJHZNRVSHPQ-YPMHNXCESA-N 1 3 236.290 1.369 20 0 BDADHO NCc1cc(-c2ccncc2C[NH3+])ccn1 ZINC001245557391 971863003 /nfs/dbraw/zinc/86/30/03/971863003.db2.gz HSIFIPDRYDDSRL-UHFFFAOYSA-N 1 3 214.272 1.061 20 0 BDADHO C=Cc1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218840866 971952625 /nfs/dbraw/zinc/95/26/25/971952625.db2.gz HHIHODFOXIJAIU-GFCCVEGCSA-N 1 3 233.315 1.334 20 0 BDADHO C[C@]1(C(=O)Nc2cccc3c2CNC3)CCC[NH2+]1 ZINC001218992727 971972517 /nfs/dbraw/zinc/97/25/17/971972517.db2.gz CSCZJXCETRWKTF-CQSZACIVSA-N 1 3 245.326 1.370 20 0 BDADHO Cc1cc2nccn2cc1N[C@H](N)CCC[NH3+] ZINC001170899879 972063067 /nfs/dbraw/zinc/06/30/67/972063067.db2.gz MVPAXPVQXVRJLV-NSHDSACASA-N 1 3 233.319 1.078 20 0 BDADHO Cc1cc2ncccc2cc1N[C@@H](N)CCC[NH3+] ZINC001170900451 972063715 /nfs/dbraw/zinc/06/37/15/972063715.db2.gz LJGPCVFJJCSKON-CQSZACIVSA-N 1 3 244.342 1.979 20 0 BDADHO Cc1nc2[nH]ccc2cc1N[C@H](N)CCC[NH3+] ZINC001170900341 972065537 /nfs/dbraw/zinc/06/55/37/972065537.db2.gz KHKWDPBGAXZKHI-NSHDSACASA-N 1 3 233.319 1.259 20 0 BDADHO Cc1cc(N[C@@H](N)CCC[NH3+])c2nccn2c1 ZINC001170901239 972068181 /nfs/dbraw/zinc/06/81/81/972068181.db2.gz XIUXOPVBLQRXBA-LLVKDONJSA-N 1 3 233.319 1.078 20 0 BDADHO CCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246025543 972118270 /nfs/dbraw/zinc/11/82/70/972118270.db2.gz CIHZYIGUDZKXLS-IJLUTSLNSA-N 1 3 214.353 1.207 20 0 BDADHO CCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246025543 972118273 /nfs/dbraw/zinc/11/82/73/972118273.db2.gz CIHZYIGUDZKXLS-IJLUTSLNSA-N 1 3 214.353 1.207 20 0 BDADHO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCCCNC1 ZINC001246089910 972142110 /nfs/dbraw/zinc/14/21/10/972142110.db2.gz HREBXWNLHXCXHK-VXGBXAGGSA-N 1 3 222.332 1.942 20 0 BDADHO C1CN2CCC1C[C@@H](N[C@H]1CCCC[NH2+]C1)C2 ZINC001246091928 972145283 /nfs/dbraw/zinc/14/52/83/972145283.db2.gz RAAYMROMBLYENU-UONOGXRCSA-N 1 3 237.391 1.202 20 0 BDADHO CC[C@H](C)C[C@H](C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220240887 972186093 /nfs/dbraw/zinc/18/60/93/972186093.db2.gz QLWWHXMIOWVZQI-SRVKXCTJSA-N 1 3 243.395 1.384 20 0 BDADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@@H]3CNCC34CC4)C[C@@H]21 ZINC001246131375 972188473 /nfs/dbraw/zinc/18/84/73/972188473.db2.gz JQQUMNIMCRABDS-WISYIIOYSA-N 1 3 220.360 1.763 20 0 BDADHO Cc1ncccc1C[NH2+][C@@H]1CCCN(C)CC1 ZINC000705532497 957308106 /nfs/dbraw/zinc/30/81/06/957308106.db2.gz MMDDUCPHUVDBLX-CQSZACIVSA-N 1 3 233.359 1.964 20 0 BDADHO CCOC(C)(C)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001209077737 957311307 /nfs/dbraw/zinc/31/13/07/957311307.db2.gz PIKIKFBLGNVJHW-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1c2[nH]cnc2ccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167275588 957620602 /nfs/dbraw/zinc/62/06/02/957620602.db2.gz TZSHNJGTGMUMIT-JTQLQIEISA-N 1 3 230.315 1.987 20 0 BDADHO Cc1c2[nH]cnc2ccc1N[C@H]1CC[N@H+](C)C1 ZINC001167275588 957620604 /nfs/dbraw/zinc/62/06/04/957620604.db2.gz TZSHNJGTGMUMIT-JTQLQIEISA-N 1 3 230.315 1.987 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C(C)(C)CO)CN(C)C ZINC000926473600 959275152 /nfs/dbraw/zinc/27/51/52/959275152.db2.gz MBSNQVGTFFPSKX-MNOVXSKESA-N 1 3 216.369 1.181 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCOC(F)(F)F)C12CCC2 ZINC000405213137 959414977 /nfs/dbraw/zinc/41/49/77/959414977.db2.gz DQBUPWICOBKETH-JGVFFNPUSA-N 1 3 238.253 1.382 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000694767070 959992490 /nfs/dbraw/zinc/99/24/90/959992490.db2.gz XMVJWXYBFFCVCS-FPYNETTCSA-N 1 3 226.364 1.673 20 0 BDADHO CN(C[C@H](O)C[NH3+])CC1CCC2(CC2)CC1 ZINC000695583009 960293215 /nfs/dbraw/zinc/29/32/15/960293215.db2.gz NBRRYHBBJUXCDG-GFCCVEGCSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](O)CN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692581781 960307015 /nfs/dbraw/zinc/30/70/15/960307015.db2.gz WFIIEEJOEHFGLW-BJDJZHNGSA-N 1 3 214.353 1.205 20 0 BDADHO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c[nH]c2ccncc12 ZINC001140805960 960604975 /nfs/dbraw/zinc/60/49/75/960604975.db2.gz REMBZWQFQOFYTH-RYUDHWBXSA-N 1 3 242.326 1.451 20 0 BDADHO C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1c[nH]c2ccncc12 ZINC001140805960 960604984 /nfs/dbraw/zinc/60/49/84/960604984.db2.gz REMBZWQFQOFYTH-RYUDHWBXSA-N 1 3 242.326 1.451 20 0 BDADHO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc2c[nH]ccc-2n1 ZINC001276404573 961242061 /nfs/dbraw/zinc/24/20/61/961242061.db2.gz QAUQFCXRTCGRHR-BETUJISGSA-N 1 3 242.326 1.451 20 0 BDADHO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc2c[nH]ccc-2n1 ZINC001276404573 961242081 /nfs/dbraw/zinc/24/20/81/961242081.db2.gz QAUQFCXRTCGRHR-BETUJISGSA-N 1 3 242.326 1.451 20 0 BDADHO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc2cnccc2[nH]1 ZINC001276404573 961242104 /nfs/dbraw/zinc/24/21/04/961242104.db2.gz QAUQFCXRTCGRHR-BETUJISGSA-N 1 3 242.326 1.451 20 0 BDADHO C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1cc2cnccc2[nH]1 ZINC001276404573 961242122 /nfs/dbraw/zinc/24/21/22/961242122.db2.gz QAUQFCXRTCGRHR-BETUJISGSA-N 1 3 242.326 1.451 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CCN1 ZINC000709372520 961242848 /nfs/dbraw/zinc/24/28/48/961242848.db2.gz CRCXDPRLUOEUEH-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CN(C)c1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154976954 962928951 /nfs/dbraw/zinc/92/89/51/962928951.db2.gz LWNBDXVLZPVYNJ-WDEREUQCSA-N 1 3 234.347 1.829 20 0 BDADHO Cc1nc(NC[C@H]2C[NH2+][C@H](C)C2)cc(N(C)C)n1 ZINC001155095992 962973717 /nfs/dbraw/zinc/97/37/17/962973717.db2.gz WHIZDVZILLGBOM-MWLCHTKSSA-N 1 3 249.362 1.261 20 0 BDADHO C[NH+]1CCC(CCNCc2cnsc2)CC1 ZINC000712882634 963001988 /nfs/dbraw/zinc/00/19/88/963001988.db2.gz IYFCUSGBLDVIIL-UHFFFAOYSA-N 1 3 239.388 1.965 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1Nc1cc(CN(C)C)ccn1 ZINC001155188600 963018302 /nfs/dbraw/zinc/01/83/02/963018302.db2.gz PXVPTJXGTSQORK-ZYHUDNBSSA-N 1 3 234.347 1.306 20 0 BDADHO Cc1nc(N[C@@H]2COC[C@@H]2[NH3+])cc2[nH]ccc21 ZINC001155353769 963057963 /nfs/dbraw/zinc/05/79/63/963057963.db2.gz RPVWXDQEPCEQAN-GXSJLCMTSA-N 1 3 232.287 1.009 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CC[NH2+][C@H](C)C2)n1 ZINC001156692170 963437963 /nfs/dbraw/zinc/43/79/63/963437963.db2.gz LXDCVHUFLNRPLG-SNVBAGLBSA-N 1 3 230.315 1.669 20 0 BDADHO C[C@H](CO)[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000696779265 963479100 /nfs/dbraw/zinc/47/91/00/963479100.db2.gz QNLWDIHYIAYIIJ-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCCNC1CC1 ZINC000696779265 963479104 /nfs/dbraw/zinc/47/91/04/963479104.db2.gz QNLWDIHYIAYIIJ-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)[C@H]1CCCC[N@H+]1CCCNC1CC1 ZINC000696779265 963479109 /nfs/dbraw/zinc/47/91/09/963479109.db2.gz QNLWDIHYIAYIIJ-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1cnc(N(C)[C@@]2(C)CCC[NH2+]C2)cc1N ZINC001156967537 963503027 /nfs/dbraw/zinc/50/30/27/963503027.db2.gz BAEQMSOCWVDHHC-ZDUSSCGKSA-N 1 3 234.347 1.551 20 0 BDADHO COCC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000697084249 963709880 /nfs/dbraw/zinc/70/98/80/963709880.db2.gz KDEQIVRLIDEOLL-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@H]1CN(c2cc(CN(C)C)ccn2)C[C@H](C)[NH2+]1 ZINC001158187333 963822929 /nfs/dbraw/zinc/82/29/29/963822929.db2.gz YVCPKUBPSLVDHU-RYUDHWBXSA-N 1 3 248.374 1.330 20 0 BDADHO CCN(C)C1CC[NH+]([C@@H]2CCO[C@@H](C)C2)CC1 ZINC001168141801 963847647 /nfs/dbraw/zinc/84/76/47/963847647.db2.gz JZUVISBUAOHDIO-GXTWGEPZSA-N 1 3 240.391 1.970 20 0 BDADHO CCN1CCN(c2cc(N)c(C)c[nH+]2)C(C)(C)C1 ZINC001158561599 963887406 /nfs/dbraw/zinc/88/74/06/963887406.db2.gz HPKNYBNPRWYOSU-UHFFFAOYSA-N 1 3 248.374 1.893 20 0 BDADHO c1c(NC2=CNCCC2)onc1[C@@H]1CCC[NH2+]1 ZINC001159308726 964057728 /nfs/dbraw/zinc/05/77/28/964057728.db2.gz MGDZEVRHCYXLIR-JTQLQIEISA-N 1 3 234.303 1.736 20 0 BDADHO Nc1ccnc2cc(-n3cc(C[NH3+])cn3)ccc12 ZINC001168258995 964078793 /nfs/dbraw/zinc/07/87/93/964078793.db2.gz IESADPRQGFFVGK-UHFFFAOYSA-N 1 3 239.282 1.461 20 0 BDADHO CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482890094 964233587 /nfs/dbraw/zinc/23/35/87/964233587.db2.gz VNGFDYSQASZZFZ-RYUDHWBXSA-N 1 3 243.395 1.077 20 0 BDADHO C[C@@H]1COCCN1C1CCC([NH+](C)C)CC1 ZINC001168315485 964424460 /nfs/dbraw/zinc/42/44/60/964424460.db2.gz WEFHVSSWVAWRCL-PNESKVBLSA-N 1 3 226.364 1.580 20 0 BDADHO C[C@@H](CC[NH2+]C1CCSCC1)N(C)C ZINC000697873838 964600593 /nfs/dbraw/zinc/60/05/93/964600593.db2.gz WRHKCVVSSUSHNL-JTQLQIEISA-N 1 3 216.394 1.812 20 0 BDADHO C[C@@H](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)N(C)C ZINC000697994661 964853923 /nfs/dbraw/zinc/85/39/23/964853923.db2.gz XWUABLCKHUDNIB-RVMXOQNASA-N 1 3 210.365 1.962 20 0 BDADHO NCc1cn(-c2ccc(C3([NH3+])CC3)cc2)cn1 ZINC001162301986 964917476 /nfs/dbraw/zinc/91/74/76/964917476.db2.gz GUZDKMOBJUQDCC-UHFFFAOYSA-N 1 3 228.299 1.279 20 0 BDADHO COC[C@@H]1CC[N@@H+]1C1CCN(CC2CC2)CC1 ZINC001168395206 965143332 /nfs/dbraw/zinc/14/33/32/965143332.db2.gz QGDLQMUQBBVBRV-AWEZNQCLSA-N 1 3 238.375 1.582 20 0 BDADHO C/C(=C\C=C\N)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162809949 965192459 /nfs/dbraw/zinc/19/24/59/965192459.db2.gz MRTMOAMNWLMGLL-GUTWREQSSA-N 1 3 243.354 1.798 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168414300 965320862 /nfs/dbraw/zinc/32/08/62/965320862.db2.gz DOBFOGKIKFJUOT-YGRLFVJLSA-N 1 3 236.334 1.867 20 0 BDADHO c1cc2c[nH]cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c-2n1 ZINC001163262999 965321854 /nfs/dbraw/zinc/32/18/54/965321854.db2.gz UFGGPFJAVWRBHC-USWWRNFRSA-N 1 3 242.326 1.973 20 0 BDADHO c1cc2cncc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2[nH]1 ZINC001163262999 965321860 /nfs/dbraw/zinc/32/18/60/965321860.db2.gz UFGGPFJAVWRBHC-USWWRNFRSA-N 1 3 242.326 1.973 20 0 BDADHO Cc1cc(CN)nn1-c1ccccc1C(C)(C)[NH3+] ZINC001163986092 965677322 /nfs/dbraw/zinc/67/73/22/965677322.db2.gz RZLBOQXIFJKFFF-UHFFFAOYSA-N 1 3 244.342 1.833 20 0 BDADHO CCC(=O)C(C)(C)CN1CCC[C@H]([NH3+])CC1 ZINC001205095033 965733722 /nfs/dbraw/zinc/73/37/22/965733722.db2.gz SXVLLKYKSVRPAH-NSHDSACASA-N 1 3 226.364 1.805 20 0 BDADHO CCC(=O)C(C)(C)C[N@@H+]1CCC[C@H](N)CC1 ZINC001205095033 965733739 /nfs/dbraw/zinc/73/37/39/965733739.db2.gz SXVLLKYKSVRPAH-NSHDSACASA-N 1 3 226.364 1.805 20 0 BDADHO CCC(=O)C(C)(C)C[N@H+]1CCC[C@H](N)CC1 ZINC001205095033 965733751 /nfs/dbraw/zinc/73/37/51/965733751.db2.gz SXVLLKYKSVRPAH-NSHDSACASA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H](Cc1cccc(F)c1)NC1CC([NH3+])C1 ZINC001168465567 965807159 /nfs/dbraw/zinc/80/71/59/965807159.db2.gz UATYQAYCRKMZRT-ALXWSUNGSA-N 1 3 222.307 1.836 20 0 BDADHO C[C@@H](Cc1cccc(F)c1)[NH2+]C1CC(N)C1 ZINC001168465567 965807162 /nfs/dbraw/zinc/80/71/62/965807162.db2.gz UATYQAYCRKMZRT-ALXWSUNGSA-N 1 3 222.307 1.836 20 0 BDADHO C[C@@]1(C[NH3+])CCCN(c2cccc(N)n2)CC1 ZINC001164242705 965808135 /nfs/dbraw/zinc/80/81/35/965808135.db2.gz OSNDBVQCKDSAAE-CYBMUJFWSA-N 1 3 234.347 1.619 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNc2ccnc(CN)c2)C1 ZINC001165289680 966027686 /nfs/dbraw/zinc/02/76/86/966027686.db2.gz IJIOXBRZOJOTLJ-GFCCVEGCSA-N 1 3 248.374 1.684 20 0 BDADHO C[N@H+]1CCC[C@H](CCNc2ccnc(CN)c2)C1 ZINC001165289680 966027701 /nfs/dbraw/zinc/02/77/01/966027701.db2.gz IJIOXBRZOJOTLJ-GFCCVEGCSA-N 1 3 248.374 1.684 20 0 BDADHO [NH3+][C@]12CC[C@H]1CN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001235994204 966216531 /nfs/dbraw/zinc/21/65/31/966216531.db2.gz UWTHLHYRFQKKCU-FZMZJTMJSA-N 1 3 242.326 1.486 20 0 BDADHO [NH3+][C@]12CC[C@H]1CN(Cc1cc3cnccc3[nH]1)C2 ZINC001235994204 966216546 /nfs/dbraw/zinc/21/65/46/966216546.db2.gz UWTHLHYRFQKKCU-FZMZJTMJSA-N 1 3 242.326 1.486 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@H](C2CC2)C1)C[NH+](C)C ZINC000691287913 966784033 /nfs/dbraw/zinc/78/40/33/966784033.db2.gz VIQMSBQNHIFMDV-WXHSDQCUSA-N 1 3 226.364 1.341 20 0 BDADHO Cc1nc[nH]c1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001204593360 967088621 /nfs/dbraw/zinc/08/86/21/967088621.db2.gz XENIMKMBSHFIIP-UHFFFAOYSA-N 1 3 248.374 1.636 20 0 BDADHO CC1([NH3+])CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001204986090 967277760 /nfs/dbraw/zinc/27/77/60/967277760.db2.gz QZVVKEDRHSQHIP-UHFFFAOYSA-N 1 3 216.288 1.096 20 0 BDADHO CC1([NH3+])CN(Cc2cc3cnccc3[nH]2)C1 ZINC001204986090 967277767 /nfs/dbraw/zinc/27/77/67/967277767.db2.gz QZVVKEDRHSQHIP-UHFFFAOYSA-N 1 3 216.288 1.096 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001205116703 967366116 /nfs/dbraw/zinc/36/61/16/967366116.db2.gz GUQATAOSBMHCPZ-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2cccc3c[nH]nc32)CC1 ZINC001205117927 967366942 /nfs/dbraw/zinc/36/69/42/967366942.db2.gz ZBMPBJOYMFDPND-CYBMUJFWSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@H]1C[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205130672 967377115 /nfs/dbraw/zinc/37/71/15/967377115.db2.gz LHRFFFXHJHNASA-ODXJTPSBSA-N 1 3 220.360 1.725 20 0 BDADHO C[C@H]1C[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205130672 967377127 /nfs/dbraw/zinc/37/71/27/967377127.db2.gz LHRFFFXHJHNASA-ODXJTPSBSA-N 1 3 220.360 1.725 20 0 BDADHO C[C@H]1CN(Cc2cccc3cncn32)C[C@H]1C[NH3+] ZINC001205151076 967396516 /nfs/dbraw/zinc/39/65/16/967396516.db2.gz OQLVMKAKKIVGQA-NWDGAFQWSA-N 1 3 244.342 1.361 20 0 BDADHO COC(=O)CCCN1CCC[C@@](C)([NH3+])CC1 ZINC001205257509 967447039 /nfs/dbraw/zinc/44/70/39/967447039.db2.gz WEVUFYSPGDDVST-GFCCVEGCSA-N 1 3 228.336 1.143 20 0 BDADHO C[C@@H]1CCNCC[N@@H+]1Cc1cccc2c1CCN2 ZINC001205332366 967549970 /nfs/dbraw/zinc/54/99/70/967549970.db2.gz PTDMGKPTWRZQEU-GFCCVEGCSA-N 1 3 245.370 1.838 20 0 BDADHO C[C@@H]1CCNCC[N@H+]1Cc1cccc2c1CCN2 ZINC001205332366 967549978 /nfs/dbraw/zinc/54/99/78/967549978.db2.gz PTDMGKPTWRZQEU-GFCCVEGCSA-N 1 3 245.370 1.838 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2cncnc2)CC1 ZINC001205558810 967696575 /nfs/dbraw/zinc/69/65/75/967696575.db2.gz IXGRKVNVUORGSX-LBPRGKRZSA-N 1 3 238.310 1.130 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2ccns2)CC1 ZINC001205582748 967707570 /nfs/dbraw/zinc/70/75/70/967707570.db2.gz YMKPNWPQTPSUPH-NSHDSACASA-N 1 3 243.351 1.796 20 0 BDADHO C[C@H]1CC[N@H+](Cc2ccc([O-])cn2)CC[C@H]1C[NH3+] ZINC001205626839 967736063 /nfs/dbraw/zinc/73/60/63/967736063.db2.gz JQTVGXNZYPIKBA-RYUDHWBXSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1CC[N@@H+](Cc2ccc([O-])cn2)CC[C@H]1C[NH3+] ZINC001205626839 967736072 /nfs/dbraw/zinc/73/60/72/967736072.db2.gz JQTVGXNZYPIKBA-RYUDHWBXSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000701568300 967814444 /nfs/dbraw/zinc/81/44/44/967814444.db2.gz MQAHWKGYPPHVMI-FDYHWXHSSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](N)C23CCC3)O1 ZINC000701568300 967814446 /nfs/dbraw/zinc/81/44/46/967814446.db2.gz MQAHWKGYPPHVMI-FDYHWXHSSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cncc([O-])c2)CC1 ZINC001206318058 968224407 /nfs/dbraw/zinc/22/44/07/968224407.db2.gz LVXFSESKYUXHPS-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cncc([O-])c2)CC1 ZINC001206318058 968224419 /nfs/dbraw/zinc/22/44/19/968224419.db2.gz LVXFSESKYUXHPS-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO CCOC(C)(C)CN1CCCC[C@](F)(C[NH3+])C1 ZINC001206336716 968245727 /nfs/dbraw/zinc/24/57/27/968245727.db2.gz NQYOOPWMTFKSDM-ZDUSSCGKSA-N 1 3 246.370 1.954 20 0 BDADHO Cc1cccc(C)c1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206463680 968317370 /nfs/dbraw/zinc/31/73/70/968317370.db2.gz BCTGGTKSDFVBFP-GXTWGEPZSA-N 1 3 234.343 1.055 20 0 BDADHO COC[C@@H]1CCCN1CC(C)(C)C[NH+](C)C ZINC001207275412 968712625 /nfs/dbraw/zinc/71/26/25/968712625.db2.gz NJVZLUOAGKPOME-LBPRGKRZSA-N 1 3 228.380 1.685 20 0 BDADHO CCN(C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207469351 968787487 /nfs/dbraw/zinc/78/74/87/968787487.db2.gz JFWVGSIFIYBIEL-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCSC3)[C@@H]2C1 ZINC001207838136 968895750 /nfs/dbraw/zinc/89/57/50/968895750.db2.gz WGTUKRFCNHMBNZ-YFKTTZPYSA-N 1 3 226.389 1.422 20 0 BDADHO CN(C)CCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001208127347 969016901 /nfs/dbraw/zinc/01/69/01/969016901.db2.gz WUFHQRGAGYNIKR-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C)C2)C[C@H](C)N1C ZINC001208612791 969169190 /nfs/dbraw/zinc/16/91/90/969169190.db2.gz NVTQSQKJLVMYEY-HZSPNIEDSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCN(C)C2)C[C@H](C)N1C ZINC001208612791 969169196 /nfs/dbraw/zinc/16/91/96/969169196.db2.gz NVTQSQKJLVMYEY-HZSPNIEDSA-N 1 3 239.407 1.353 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC[N@H+](C)C1 ZINC001208612829 969173939 /nfs/dbraw/zinc/17/39/39/969173939.db2.gz DRRYXOXTOQFDMG-RDBSUJKOSA-N 1 3 237.391 1.107 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001208612829 969173940 /nfs/dbraw/zinc/17/39/40/969173940.db2.gz DRRYXOXTOQFDMG-RDBSUJKOSA-N 1 3 237.391 1.107 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096025 969384364 /nfs/dbraw/zinc/38/43/64/969384364.db2.gz UFCMEQGVYUJDKI-ZSOGYDGISA-N 1 3 248.374 1.406 20 0 BDADHO C[C@@H](N)c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078763 969398691 /nfs/dbraw/zinc/39/86/91/969398691.db2.gz GGHLZEQTCVLAKE-WYUUTHIRSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@@H](N)c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078763 969398698 /nfs/dbraw/zinc/39/86/98/969398698.db2.gz GGHLZEQTCVLAKE-WYUUTHIRSA-N 1 3 234.347 1.701 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc(CN)c1)C2 ZINC001169080397 969405220 /nfs/dbraw/zinc/40/52/20/969405220.db2.gz NBWHFIPMQDOVOB-ZSBIGDGJSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc(CN)c1)C2 ZINC001169080397 969405224 /nfs/dbraw/zinc/40/52/24/969405224.db2.gz NBWHFIPMQDOVOB-ZSBIGDGJSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1COC(C)(C)C1)C2 ZINC001169112684 969451576 /nfs/dbraw/zinc/45/15/76/969451576.db2.gz RQXKNYCOWZQRBD-ZDEQEGDKSA-N 1 3 238.375 1.769 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1COC(C)(C)C1)C2 ZINC001169112684 969451594 /nfs/dbraw/zinc/45/15/94/969451594.db2.gz RQXKNYCOWZQRBD-ZDEQEGDKSA-N 1 3 238.375 1.769 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169161133 969478128 /nfs/dbraw/zinc/47/81/28/969478128.db2.gz OMHKKHCJGWUWSU-QRTUWBSPSA-N 1 3 249.402 1.390 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169161133 969478139 /nfs/dbraw/zinc/47/81/39/969478139.db2.gz OMHKKHCJGWUWSU-QRTUWBSPSA-N 1 3 249.402 1.390 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001169446531 969635795 /nfs/dbraw/zinc/63/57/95/969635795.db2.gz IPNIJAGYMFSZLK-RYUDHWBXSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001169446531 969635800 /nfs/dbraw/zinc/63/58/00/969635800.db2.gz IPNIJAGYMFSZLK-RYUDHWBXSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001169446531 969635805 /nfs/dbraw/zinc/63/58/05/969635805.db2.gz IPNIJAGYMFSZLK-RYUDHWBXSA-N 1 3 243.395 1.160 20 0 BDADHO CN1CCC[C@@H]([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC001254497844 969657904 /nfs/dbraw/zinc/65/79/04/969657904.db2.gz OGZWIIFXONFDIS-VXGBXAGGSA-N 1 3 238.331 1.387 20 0 BDADHO C[N@@H+]1CCC[C@@H](Nc2ccc(CN)nc2)CC1 ZINC001254507878 969681326 /nfs/dbraw/zinc/68/13/26/969681326.db2.gz GLBUGNHFKUJDKE-LLVKDONJSA-N 1 3 234.347 1.437 20 0 BDADHO C[N@H+]1CCC[C@@H](Nc2ccc(CN)nc2)CC1 ZINC001254507878 969681339 /nfs/dbraw/zinc/68/13/39/969681339.db2.gz GLBUGNHFKUJDKE-LLVKDONJSA-N 1 3 234.347 1.437 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CCCN(C)CC2)CC1 ZINC001254516221 969689353 /nfs/dbraw/zinc/68/93/53/969689353.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CN1CCC[C@H]([N@H+]2CCCN(C)CC2)CC1 ZINC001254516221 969689359 /nfs/dbraw/zinc/68/93/59/969689359.db2.gz KSFVFMCVEJOGEW-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CN1CC[C@@H]([N@H+](C)[C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859131 969811832 /nfs/dbraw/zinc/81/18/32/969811832.db2.gz BVDIFLXHDVKWDS-ZIAGYGMSSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CC[C@@H]([N@@H+](C)[C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859131 969811835 /nfs/dbraw/zinc/81/18/35/969811835.db2.gz BVDIFLXHDVKWDS-ZIAGYGMSSA-N 1 3 237.391 1.107 20 0 BDADHO NCc1cccc(NCC23CC[NH+](CC2)CC3)n1 ZINC001169802806 969849241 /nfs/dbraw/zinc/84/92/41/969849241.db2.gz QTIBUFPZGTVGJQ-UHFFFAOYSA-N 1 3 246.358 1.438 20 0 BDADHO CN(C)C[C@@H]1CCC[N@@H+]1[C@H]1CCCN(C)C1 ZINC001255488081 970237811 /nfs/dbraw/zinc/23/78/11/970237811.db2.gz XOJZDIBIULSBHQ-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)C[C@@H]1CCC[N@H+]1[C@H]1CCCN(C)C1 ZINC001255488081 970237816 /nfs/dbraw/zinc/23/78/16/970237816.db2.gz XOJZDIBIULSBHQ-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO COC[C@H](C)N(C(C)C)C(C)(C)C[NH3+] ZINC001255566937 970359919 /nfs/dbraw/zinc/35/99/19/970359919.db2.gz QPGURGKUTMJHML-JTQLQIEISA-N 1 3 202.342 1.469 20 0 BDADHO C[C@H]1CC[C@H]([NH+](CCN(C)C)CCN(C)C)C1 ZINC001170145692 970432591 /nfs/dbraw/zinc/43/25/91/970432591.db2.gz VVWKHJVEAQDVSL-KBPBESRZSA-N 1 3 241.423 1.600 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)CCO1 ZINC001170182171 970556865 /nfs/dbraw/zinc/55/68/65/970556865.db2.gz MNUILGSSIMFKAL-GMTAPVOTSA-N 1 3 200.326 1.128 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)n1nncc1CN ZINC001255945574 970563960 /nfs/dbraw/zinc/56/39/60/970563960.db2.gz GRNZYUMOOPYSJP-SNVBAGLBSA-N 1 3 225.340 1.030 20 0 BDADHO CC[NH+](CC)CC[C@H](C)n1cnc(CN)c1 ZINC001255941231 970565096 /nfs/dbraw/zinc/56/50/96/970565096.db2.gz LUPMBKLCXMIVEQ-NSHDSACASA-N 1 3 224.352 1.635 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC001255941351 970566923 /nfs/dbraw/zinc/56/69/23/970566923.db2.gz OXRUGEPQQABOSI-RDBSUJKOSA-N 1 3 242.407 2.000 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H](C)O ZINC001255940031 970568754 /nfs/dbraw/zinc/56/87/54/970568754.db2.gz LUNTWFFAGSAHKM-GHMZBOCLSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H](C)O ZINC001255940031 970568765 /nfs/dbraw/zinc/56/87/65/970568765.db2.gz LUNTWFFAGSAHKM-GHMZBOCLSA-N 1 3 202.342 1.077 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CCCO1 ZINC001255940184 970569487 /nfs/dbraw/zinc/56/94/87/970569487.db2.gz RUABGLLXXVFCJK-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC001255940184 970569498 /nfs/dbraw/zinc/56/94/98/970569498.db2.gz RUABGLLXXVFCJK-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CCCO1 ZINC001255940187 970570936 /nfs/dbraw/zinc/57/09/36/970570936.db2.gz RUABGLLXXVFCJK-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC001255940187 970570942 /nfs/dbraw/zinc/57/09/42/970570942.db2.gz RUABGLLXXVFCJK-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCC1OCCO1 ZINC001255947553 970580359 /nfs/dbraw/zinc/58/03/59/970580359.db2.gz SFBNVNACFWDURZ-LBPRGKRZSA-N 1 3 244.379 1.459 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CC(O)C1 ZINC001255946336 970580869 /nfs/dbraw/zinc/58/08/69/970580869.db2.gz SLLGWNDVBIVSOK-PNESKVBLSA-N 1 3 228.380 1.467 20 0 BDADHO CN1CC[C@H]([N@H+](C)C2CCN(C3CC3)CC2)C1 ZINC001256078891 970650089 /nfs/dbraw/zinc/65/00/89/970650089.db2.gz DNRWIWONQVVAOG-AWEZNQCLSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CC[C@H]([N@@H+](C)C2CCN(C3CC3)CC2)C1 ZINC001256078891 970650097 /nfs/dbraw/zinc/65/00/97/970650097.db2.gz DNRWIWONQVVAOG-AWEZNQCLSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CC(CNc2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001170255050 970669676 /nfs/dbraw/zinc/66/96/76/970669676.db2.gz XGQKMPPRTSTBHG-UHFFFAOYSA-N 1 3 245.370 1.998 20 0 BDADHO C[C@H]1C[N@@H+]([C@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001246542524 972585076 /nfs/dbraw/zinc/58/50/76/972585076.db2.gz QBENWURXWAKFGV-YFKTTZPYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1C[N@H+]([C@H]2CCO[C@@H](C)C2)C[C@H]1CN ZINC001246542524 972585081 /nfs/dbraw/zinc/58/50/81/972585081.db2.gz QBENWURXWAKFGV-YFKTTZPYSA-N 1 3 212.337 1.081 20 0 BDADHO Cc1c(O)cccc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001144117872 972588850 /nfs/dbraw/zinc/58/88/50/972588850.db2.gz KMGLCMJTOMFFJN-OKILXGFUSA-N 1 3 246.354 1.694 20 0 BDADHO Cc1c(O)cccc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001144117872 972588856 /nfs/dbraw/zinc/58/88/56/972588856.db2.gz KMGLCMJTOMFFJN-OKILXGFUSA-N 1 3 246.354 1.694 20 0 BDADHO C[C@@H](CC(F)(F)F)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246543078 972590012 /nfs/dbraw/zinc/59/00/12/972590012.db2.gz SHZRELBHETYGSS-XHNCKOQMSA-N 1 3 224.270 1.854 20 0 BDADHO CCSC[C@H](C)N1[C@@H](C)CC[C@H]1C[NH3+] ZINC001246545363 972629789 /nfs/dbraw/zinc/62/97/89/972629789.db2.gz JQBHIRVQVIQIHL-DCAQKATOSA-N 1 3 216.394 1.940 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](C)(O)C2)CCN1 ZINC001246548271 972682298 /nfs/dbraw/zinc/68/22/98/972682298.db2.gz JYPVBDCPYCPAND-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@](C)(O)C2)CCN1 ZINC001246548271 972682303 /nfs/dbraw/zinc/68/23/03/972682303.db2.gz JYPVBDCPYCPAND-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)[C@@H]1C[C@H](N2CCNC[C@@H](F)C2)CC[NH2+]1 ZINC001246598862 973021656 /nfs/dbraw/zinc/02/16/56/973021656.db2.gz OXLCUHZLRTUWQC-UPJWGTAASA-N 1 3 243.370 1.006 20 0 BDADHO CO[C@H]1CCC[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]21 ZINC001246756823 973090175 /nfs/dbraw/zinc/09/01/75/973090175.db2.gz AECWNZVYTPADFE-XBFCOCLRSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@H]1CCC[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]21 ZINC001246756823 973090183 /nfs/dbraw/zinc/09/01/83/973090183.db2.gz AECWNZVYTPADFE-XBFCOCLRSA-N 1 3 238.375 1.485 20 0 BDADHO COC(=O)[C@@H]1CCC[N@H+](C2CCNCC2)[C@@H]1C ZINC001246825097 973123883 /nfs/dbraw/zinc/12/38/83/973123883.db2.gz UCJVQJKUDVHCJW-ZYHUDNBSSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@@H]1CCC[N@@H+](C2CCNCC2)[C@@H]1C ZINC001246825097 973123894 /nfs/dbraw/zinc/12/38/94/973123894.db2.gz UCJVQJKUDVHCJW-ZYHUDNBSSA-N 1 3 240.347 1.012 20 0 BDADHO Cc1nc(NC/C=C/C[NH3+])cc(N2CCCC2)n1 ZINC001160976867 973192068 /nfs/dbraw/zinc/19/20/68/973192068.db2.gz LZNMTHMEABCYBL-NSCUHMNNSA-N 1 3 247.346 1.312 20 0 BDADHO C[C@H]1C[C@@H](NOCC[NH3+])CN1Cc1ccccc1 ZINC001171726598 974142011 /nfs/dbraw/zinc/14/20/11/974142011.db2.gz YOELVLBONYBIDD-GXTWGEPZSA-N 1 3 249.358 1.129 20 0 BDADHO Cc1cc(CN)nn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172103598 974370564 /nfs/dbraw/zinc/37/05/64/974370564.db2.gz WEDUYYSWUQHXTF-BTTYYORXSA-N 1 3 248.374 1.838 20 0 BDADHO Cc1cc(CN)nn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172103598 974370573 /nfs/dbraw/zinc/37/05/73/974370573.db2.gz WEDUYYSWUQHXTF-BTTYYORXSA-N 1 3 248.374 1.838 20 0 BDADHO CN([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123970 974388011 /nfs/dbraw/zinc/38/80/11/974388011.db2.gz ICPZAIXQDJWIEH-RFQIPJPRSA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123970 974388021 /nfs/dbraw/zinc/38/80/21/974388021.db2.gz ICPZAIXQDJWIEH-RFQIPJPRSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CSc2ccccc2C1 ZINC001172199452 974483579 /nfs/dbraw/zinc/48/35/79/974483579.db2.gz FHLFOHIOWHBILN-ZYHUDNBSSA-N 1 3 236.384 1.888 20 0 BDADHO CC(C)OCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001172439525 974796333 /nfs/dbraw/zinc/79/63/33/974796333.db2.gz FEYGSTPYWSIBRY-QWRGUYRKSA-N 1 3 202.342 1.374 20 0 BDADHO C[NH+](C)[C@H]1CC[C@H](Oc2ccnc(N)c2)CC1 ZINC001226657424 975005226 /nfs/dbraw/zinc/00/52/26/975005226.db2.gz PNTIUZACUVOFMS-XYPYZODXSA-N 1 3 235.331 1.915 20 0 BDADHO C[C@@H](C[NH3+])CN(C)[C@@H]1CCc2ncsc2C1 ZINC001173131946 975042420 /nfs/dbraw/zinc/04/24/20/975042420.db2.gz NRUATEIRGRDQBF-VHSXEESVSA-N 1 3 239.388 1.527 20 0 BDADHO CC[N@@H+]1CC[C@H](N2CCN3CCCC[C@@H]3C2)C1 ZINC001173362428 975340175 /nfs/dbraw/zinc/34/01/75/975340175.db2.gz HBQUPSOPLBNRDG-KGLIPLIRSA-N 1 3 237.391 1.251 20 0 BDADHO CC[N@H+]1CC[C@H](N2CCN3CCCC[C@@H]3C2)C1 ZINC001173362428 975340185 /nfs/dbraw/zinc/34/01/85/975340185.db2.gz HBQUPSOPLBNRDG-KGLIPLIRSA-N 1 3 237.391 1.251 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000721409587 976626636 /nfs/dbraw/zinc/62/66/36/976626636.db2.gz IENPGKILGLVKHE-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000721409587 976626642 /nfs/dbraw/zinc/62/66/42/976626642.db2.gz IENPGKILGLVKHE-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO Cc1cnccc1Nc1cnn(CC[NH+](C)C)c1 ZINC001174536220 976816521 /nfs/dbraw/zinc/81/65/21/976816521.db2.gz NHCWABJSXPLJJL-UHFFFAOYSA-N 1 3 245.330 1.314 20 0 BDADHO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc2cnccc2[nH]1 ZINC001232012297 977837532 /nfs/dbraw/zinc/83/75/32/977837532.db2.gz YFAVSHUFFROFKO-GWCFXTLKSA-N 1 3 245.326 1.908 20 0 BDADHO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc2cnccc2[nH]1 ZINC001232012297 977837535 /nfs/dbraw/zinc/83/75/35/977837535.db2.gz YFAVSHUFFROFKO-GWCFXTLKSA-N 1 3 245.326 1.908 20 0 BDADHO CC(C)C[N@H+](C)CCCNC[C@H](O)C1CC1 ZINC001336800189 977967959 /nfs/dbraw/zinc/96/79/59/977967959.db2.gz PRJIBWIZGQAPML-ZDUSSCGKSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)C[N@@H+](C)CCCNC[C@H](O)C1CC1 ZINC001336800189 977967969 /nfs/dbraw/zinc/96/79/69/977967969.db2.gz PRJIBWIZGQAPML-ZDUSSCGKSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](O)[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001176281681 978008587 /nfs/dbraw/zinc/00/85/87/978008587.db2.gz ONYITLPOOFENAP-AGIUHOORSA-N 1 3 249.358 1.361 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)C1 ZINC000328202060 978204828 /nfs/dbraw/zinc/20/48/28/978204828.db2.gz SEEPTPOQGYXJDX-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO COCC(C)(C)N1CCN(c2cc[nH+]cc2)CC1 ZINC001337665671 978449963 /nfs/dbraw/zinc/44/99/63/978449963.db2.gz VCLKGEPWYGYKCH-UHFFFAOYSA-N 1 3 249.358 1.629 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccnc(CO)c3)[C@@H]2C1 ZINC001338296293 978654803 /nfs/dbraw/zinc/65/48/03/978654803.db2.gz HNFMDFSAESNLBX-ZLKJLUDKSA-N 1 3 247.342 1.326 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccnc(CO)c3)[C@@H]2C1 ZINC001338296293 978654809 /nfs/dbraw/zinc/65/48/09/978654809.db2.gz HNFMDFSAESNLBX-ZLKJLUDKSA-N 1 3 247.342 1.326 20 0 BDADHO N[C@@]12C[C@@H]1CC[N@H+](CCc1ccccc1)C2 ZINC001235166683 978988669 /nfs/dbraw/zinc/98/86/69/978988669.db2.gz VMIUMDVWBSILTJ-UONOGXRCSA-N 1 3 216.328 1.652 20 0 BDADHO N[C@@]12C[C@@H]1CC[N@@H+](CCc1ccccc1)C2 ZINC001235166683 978988675 /nfs/dbraw/zinc/98/86/75/978988675.db2.gz VMIUMDVWBSILTJ-UONOGXRCSA-N 1 3 216.328 1.652 20 0 BDADHO CO[C@@H]1CCC[C@@H]2CN(C[C@H](C)[NH3+])C[C@@H]21 ZINC001235624971 979105568 /nfs/dbraw/zinc/10/55/68/979105568.db2.gz NJTMXPRVEXGUBU-WHOHXGKFSA-N 1 3 212.337 1.081 20 0 BDADHO N[C@H](C(=O)Nc1cccc2c1C[NH2+]C2)C1CCC1 ZINC001340883332 979138786 /nfs/dbraw/zinc/13/87/86/979138786.db2.gz ZIUJXVWAGDEODP-ZDUSSCGKSA-N 1 3 245.326 1.356 20 0 BDADHO C[C@@H]1CC(CN2C[C@@H]3CC[C@@]3([NH3+])C2)C[C@@H](C)O1 ZINC001235978893 979249052 /nfs/dbraw/zinc/24/90/52/979249052.db2.gz LOVZQEMIDWUCOT-MHDGFBEUSA-N 1 3 238.375 1.613 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001341485765 979431270 /nfs/dbraw/zinc/43/12/70/979431270.db2.gz ZOOWZAXSNDVXQP-GFCCVEGCSA-N 1 3 249.358 1.802 20 0 BDADHO C[N@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@H]1N ZINC001236216905 979455100 /nfs/dbraw/zinc/45/51/00/979455100.db2.gz MBURJDBZIBZRHD-ZIAGYGMSSA-N 1 3 233.359 1.971 20 0 BDADHO C[N@@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@H]1N ZINC001236216905 979455104 /nfs/dbraw/zinc/45/51/04/979455104.db2.gz MBURJDBZIBZRHD-ZIAGYGMSSA-N 1 3 233.359 1.971 20 0 BDADHO Fc1cccnc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236316161 979529385 /nfs/dbraw/zinc/52/93/85/979529385.db2.gz PLRSWSMMTSYUSG-TXEJJXNPSA-N 1 3 249.333 1.652 20 0 BDADHO COc1cc2c(cn1)CCN(CCCC[NH3+])C2 ZINC001237204816 979844797 /nfs/dbraw/zinc/84/47/97/979844797.db2.gz UBPHFKWZOMCRDT-UHFFFAOYSA-N 1 3 235.331 1.187 20 0 BDADHO C1=C2NCCN(C[C@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237218587 979849696 /nfs/dbraw/zinc/84/96/96/979849696.db2.gz JJUUGQGLLSOTQH-JSGCOSHPSA-N 1 3 235.375 1.328 20 0 BDADHO CC(C)CC[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001184134882 979946599 /nfs/dbraw/zinc/94/65/99/979946599.db2.gz JBYIRCYZXUFNLU-CYBMUJFWSA-N 1 3 210.365 1.964 20 0 BDADHO C[NH+]1CCC(NCC2(Br)CC2)CC1 ZINC001184115259 979954215 /nfs/dbraw/zinc/95/42/15/979954215.db2.gz BCXUQFSKMCNOCB-UHFFFAOYSA-N 1 3 247.180 1.598 20 0 BDADHO O[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879708 981678121 /nfs/dbraw/zinc/67/81/21/981678121.db2.gz CXELTZKZHJHUDA-GJZGRUSLSA-N 1 3 246.354 1.376 20 0 BDADHO Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)nc(N)n1 ZINC001354132225 983169858 /nfs/dbraw/zinc/16/98/58/983169858.db2.gz VRMCGAPWQMBMJN-LDYMZIIASA-N 1 3 247.346 1.262 20 0 BDADHO Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(N)n1 ZINC001354132225 983169862 /nfs/dbraw/zinc/16/98/62/983169862.db2.gz VRMCGAPWQMBMJN-LDYMZIIASA-N 1 3 247.346 1.262 20 0 BDADHO CNCC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001355600905 983527270 /nfs/dbraw/zinc/52/72/70/983527270.db2.gz URPOIQASWHKVQE-UHFFFAOYSA-N 1 3 221.304 1.038 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001357484402 983730927 /nfs/dbraw/zinc/73/09/27/983730927.db2.gz FCAUSNMLUHIUDJ-DCAQKATOSA-N 1 3 241.379 1.007 20 0 BDADHO CN(C)CC[NH+](CCN(C)C)CC1CCC1 ZINC001202739685 984209598 /nfs/dbraw/zinc/20/95/98/984209598.db2.gz LRBXZGOKZVHWSY-UHFFFAOYSA-N 1 3 227.396 1.212 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CCNC(C)(C)C)C1 ZINC001578161850 984206256 /nfs/dbraw/zinc/20/62/56/984206256.db2.gz YVWDPOPLBWDGFO-XYPYZODXSA-N 1 3 214.353 1.532 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC001578622064 984216631 /nfs/dbraw/zinc/21/66/31/984216631.db2.gz NBJUNBXQTZCYEI-SCRDCRAPSA-N 1 3 242.407 1.761 20 0 BDADHO NCc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cn1 ZINC001240455762 984298920 /nfs/dbraw/zinc/29/89/20/984298920.db2.gz HQRNLLIJKDZBSB-UHFFFAOYSA-N 1 3 239.322 1.853 20 0 BDADHO [NH3+][C@H]1CC12CC(N[C@@H](CCO)c1ccco1)C2 ZINC001580163851 984407896 /nfs/dbraw/zinc/40/78/96/984407896.db2.gz DXRPZUHLVNTWJZ-QCNJJUDDSA-N 1 3 236.315 1.173 20 0 BDADHO CCN(CCc1cncn1C)C1CC[NH2+]CC1 ZINC001577731728 984687264 /nfs/dbraw/zinc/68/72/64/984687264.db2.gz ZUGPADYXLIJMRE-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO Cc1n[nH]cc1CN1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276068598 984810233 /nfs/dbraw/zinc/81/02/33/984810233.db2.gz ZUZSKEUWUAFYEA-UHFFFAOYSA-N 1 3 248.374 1.636 20 0 BDADHO Cc1n[nH]cc1CN1CCC2(CC[N@H+](C)C2)CC1 ZINC001276068598 984810235 /nfs/dbraw/zinc/81/02/35/984810235.db2.gz ZUZSKEUWUAFYEA-UHFFFAOYSA-N 1 3 248.374 1.636 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001578161023 984863193 /nfs/dbraw/zinc/86/31/93/984863193.db2.gz IOSKBTZDDZYBLG-DDHJBXDOSA-N 1 3 224.348 1.413 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001578161024 984863708 /nfs/dbraw/zinc/86/37/08/984863708.db2.gz IOSKBTZDDZYBLG-FIQHERPVSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC[C@@]1(C)CC[NH2+]C1 ZINC001578228609 984879153 /nfs/dbraw/zinc/87/91/53/984879153.db2.gz DKFXVGANAZDLMU-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CCc1cccc(C[NH2+][C@H]2CCNC[C@@H]2O)c1 ZINC001578267009 984911058 /nfs/dbraw/zinc/91/10/58/984911058.db2.gz YZAHQGHKRQPEAQ-KBPBESRZSA-N 1 3 234.343 1.061 20 0 BDADHO CCn1ccnc1CNC[C@H]1CC[C@@H]([NH3+])C1 ZINC001578356968 984997294 /nfs/dbraw/zinc/99/72/94/984997294.db2.gz KCQLHKJPSQDSFV-WDEREUQCSA-N 1 3 222.336 1.120 20 0 BDADHO CCn1cnc(CNCCCCCC[NH3+])c1 ZINC001578356787 984998562 /nfs/dbraw/zinc/99/85/62/984998562.db2.gz FUTRPMSUCJSEAF-UHFFFAOYSA-N 1 3 224.352 1.512 20 0 BDADHO CCn1ccnc1[C@H](C)NC1CC2(C[C@H]2[NH3+])C1 ZINC001578357139 984998972 /nfs/dbraw/zinc/99/89/72/984998972.db2.gz NUVNGOCNXAJVGL-MSLYCWSTSA-N 1 3 234.347 1.433 20 0 BDADHO CN(CCN(C)C1C[NH2+]C1)Cc1ccccc1 ZINC001578470118 985107103 /nfs/dbraw/zinc/10/71/03/985107103.db2.gz OXOARDKNLDFGED-UHFFFAOYSA-N 1 3 233.359 1.022 20 0 BDADHO CO[C@H]1CCC[N@H+](C[C@@H](N)CC(F)F)CC1 ZINC000691984937 985109177 /nfs/dbraw/zinc/10/91/77/985109177.db2.gz HSVOUOHAPFBUJI-UWVGGRQHSA-N 1 3 236.306 1.470 20 0 BDADHO CO[C@H]1CCC[N@@H+](C[C@@H](N)CC(F)F)CC1 ZINC000691984937 985109180 /nfs/dbraw/zinc/10/91/80/985109180.db2.gz HSVOUOHAPFBUJI-UWVGGRQHSA-N 1 3 236.306 1.470 20 0 BDADHO CN1CCC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC001578529414 985159676 /nfs/dbraw/zinc/15/96/76/985159676.db2.gz UNORREZRBOBOLJ-MGPQQGTHSA-N 1 3 237.391 1.202 20 0 BDADHO COC(CCN(C)C[C@H]1CCC[N@H+](C)C1)OC ZINC000686617466 985181847 /nfs/dbraw/zinc/18/18/47/985181847.db2.gz PILOZHAFCOUWHB-LBPRGKRZSA-N 1 3 244.379 1.269 20 0 BDADHO COC(CCN(C)C[C@H]1CCC[N@@H+](C)C1)OC ZINC000686617466 985181854 /nfs/dbraw/zinc/18/18/54/985181854.db2.gz PILOZHAFCOUWHB-LBPRGKRZSA-N 1 3 244.379 1.269 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC001578622692 985239450 /nfs/dbraw/zinc/23/94/50/985239450.db2.gz YKJQGNSJGNQABN-NILFDRSVSA-N 1 3 248.370 1.275 20 0 BDADHO CNC[C@@](C)(O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001578622692 985239460 /nfs/dbraw/zinc/23/94/60/985239460.db2.gz YKJQGNSJGNQABN-NILFDRSVSA-N 1 3 248.370 1.275 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(C[C@H]2CCCC[NH2+]C2)C1 ZINC000687214326 985267813 /nfs/dbraw/zinc/26/78/13/985267813.db2.gz IXAJRMMHBFTJBG-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@H]1CCCSC1)CC2 ZINC001257681649 985268876 /nfs/dbraw/zinc/26/88/76/985268876.db2.gz RZKBFLTWGUYEFD-LBPRGKRZSA-N 1 3 240.416 1.910 20 0 BDADHO CCOC(=O)CCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001258113602 985421214 /nfs/dbraw/zinc/42/12/14/985421214.db2.gz WTFYIANTQHUOGH-QWRGUYRKSA-N 1 3 230.352 1.293 20 0 BDADHO CO[C@H](CN1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC001578908636 985506451 /nfs/dbraw/zinc/50/64/51/985506451.db2.gz BTZUPFODQLBBJK-YNEHKIRRSA-N 1 3 224.348 1.225 20 0 BDADHO CO[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935839 985547588 /nfs/dbraw/zinc/54/75/88/985547588.db2.gz LHACVNJMVCAWTD-NAKRPEOUSA-N 1 3 210.321 1.023 20 0 BDADHO COCC[C@@H]([NH3+])CN[C@@H](COC)CC(C)(C)C ZINC001579000675 985620509 /nfs/dbraw/zinc/62/05/09/985620509.db2.gz AOAIFUQTBFXVSO-VXGBXAGGSA-N 1 3 246.395 1.391 20 0 BDADHO COCC[C@@H](N)C[N@@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000037 985645186 /nfs/dbraw/zinc/64/51/86/985645186.db2.gz NHYSUUPKXLUVIN-CHWSQXEVSA-N 1 3 240.391 1.861 20 0 BDADHO COCC[C@@H](N)C[N@H+]1CC2(CCC2)[C@H]1C(C)C ZINC001579000037 985645205 /nfs/dbraw/zinc/64/52/05/985645205.db2.gz NHYSUUPKXLUVIN-CHWSQXEVSA-N 1 3 240.391 1.861 20 0 BDADHO COCC[C@H]([NH3+])CN[C@H]1C[C@H](OC(C)(C)C)C1 ZINC001579004387 985660054 /nfs/dbraw/zinc/66/00/54/985660054.db2.gz TWUOUJHGQRSUQX-SRVKXCTJSA-N 1 3 244.379 1.286 20 0 BDADHO COCC[C@@H](N)C[NH2+]Cc1cccc(OC)c1 ZINC001579003586 985660893 /nfs/dbraw/zinc/66/08/93/985660893.db2.gz JHPRVYQQXADXMN-GFCCVEGCSA-N 1 3 238.331 1.149 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCC2OCCCO2)C1 ZINC000688568952 985684942 /nfs/dbraw/zinc/68/49/42/985684942.db2.gz LVGVLPWTOXOUAQ-GFCCVEGCSA-N 1 3 242.363 1.023 20 0 BDADHO CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@H]3C[C@H](N)C3)C[C@H]2C1 ZINC001579127326 985803785 /nfs/dbraw/zinc/80/37/85/985803785.db2.gz LKRBISZYKAHRAC-BIYIIWIQSA-N 1 3 224.348 1.269 20 0 BDADHO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3C[C@H](N)C3)C[C@H]2C1 ZINC001579127325 985804627 /nfs/dbraw/zinc/80/46/27/985804627.db2.gz LKRBISZYKAHRAC-BCFCROPCSA-N 1 3 224.348 1.269 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C1CC1)C1(CO)CCC1 ZINC001579454428 985942983 /nfs/dbraw/zinc/94/29/83/985942983.db2.gz BHDMSOFDYYHZSI-NEPJUHHUSA-N 1 3 238.375 1.221 20 0 BDADHO NCc1cccc(-c2cccc(OCC[NH3+])c2)n1 ZINC001244320733 985944090 /nfs/dbraw/zinc/94/40/90/985944090.db2.gz QTDIBMKOPFAAJE-UHFFFAOYSA-N 1 3 243.310 1.545 20 0 BDADHO Cc1c[nH]c(=O)c(CNC[C@H](C[NH3+])C(C)C)c1 ZINC001579544381 986073980 /nfs/dbraw/zinc/07/39/80/986073980.db2.gz VTAIUSCFLWJXSB-LBPRGKRZSA-N 1 3 237.347 1.416 20 0 BDADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001462638359 986479155 /nfs/dbraw/zinc/47/91/55/986479155.db2.gz YGGFNQSMYIDLGP-DGCLKSJQSA-N 1 3 210.365 1.964 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163434 986634659 /nfs/dbraw/zinc/63/46/59/986634659.db2.gz AYOMFNWNVGDVMH-KQSJRHEJSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163434 986634664 /nfs/dbraw/zinc/63/46/64/986634664.db2.gz AYOMFNWNVGDVMH-KQSJRHEJSA-N 1 3 222.332 1.166 20 0 BDADHO [NH3+]C1CC2(C1)CC(NCc1cc3n(n1)CCC3)C2 ZINC001580166878 986644431 /nfs/dbraw/zinc/64/44/31/986644431.db2.gz VBTSHSOZEWZLAB-UHFFFAOYSA-N 1 3 246.358 1.189 20 0 BDADHO NCC1(C[N@@H+]2CCC[C@](O)(C3CC3)C2)CCC1 ZINC001580244507 986696561 /nfs/dbraw/zinc/69/65/61/986696561.db2.gz ZKCWHDZGEKRAED-CQSZACIVSA-N 1 3 238.375 1.352 20 0 BDADHO NCC1(C[N@H+]2CCC[C@](O)(C3CC3)C2)CCC1 ZINC001580244507 986696565 /nfs/dbraw/zinc/69/65/65/986696565.db2.gz ZKCWHDZGEKRAED-CQSZACIVSA-N 1 3 238.375 1.352 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCC[C@@H]1CCO1 ZINC001580254677 986707799 /nfs/dbraw/zinc/70/77/99/986707799.db2.gz YWPOONUTLGVJSO-JHJVBQTASA-N 1 3 224.348 1.369 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CNCc2cc3n(n2)CCC3)C1 ZINC001580389925 986816861 /nfs/dbraw/zinc/81/68/61/986816861.db2.gz XXHWTNKISFSNMG-WDEREUQCSA-N 1 3 234.347 1.046 20 0 BDADHO [NH3+][C@H]1CC[C@H](NCc2ncccc2F)CC1 ZINC001580419795 986839218 /nfs/dbraw/zinc/83/92/18/986839218.db2.gz MUGHLXZIZFBMIG-MGCOHNPYSA-N 1 3 223.295 1.580 20 0 BDADHO CCC[C@H](O)CNC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974807 987248490 /nfs/dbraw/zinc/24/84/90/987248490.db2.gz NXIPJEWJWLMZML-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO CCCC[C@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245980228 987261595 /nfs/dbraw/zinc/26/15/95/987261595.db2.gz HLMDUTSNNYKQNR-NEPJUHHUSA-N 1 3 214.353 1.127 20 0 BDADHO C[C@H](O)CCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693707063 987313671 /nfs/dbraw/zinc/31/36/71/987313671.db2.gz QAVDYTYXKFYPFR-RVMXOQNASA-N 1 3 240.391 1.514 20 0 BDADHO CCCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246025343 987320692 /nfs/dbraw/zinc/32/06/92/987320692.db2.gz WWWSCXFZBIBQBA-KBPBESRZSA-N 1 3 242.407 1.988 20 0 BDADHO CCCC[C@H](O)C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246025343 987320700 /nfs/dbraw/zinc/32/07/00/987320700.db2.gz WWWSCXFZBIBQBA-KBPBESRZSA-N 1 3 242.407 1.988 20 0 BDADHO CCN(C[C@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000697033789 987347973 /nfs/dbraw/zinc/34/79/73/987347973.db2.gz JEGUNDBFYKUQCH-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](CC[NH2+]Cc1ccn(C)c1)N(C)C ZINC000697881614 987366666 /nfs/dbraw/zinc/36/66/66/987366666.db2.gz WQRQIBSCEDXEDJ-LLVKDONJSA-N 1 3 209.337 1.455 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246080266 987370847 /nfs/dbraw/zinc/37/08/47/987370847.db2.gz QMVSTDDDQYAZQG-NEPJUHHUSA-N 1 3 228.380 1.922 20 0 BDADHO CCCC[C@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246079116 987373272 /nfs/dbraw/zinc/37/32/72/987373272.db2.gz CMDWAHUVPCADPP-SDDRHHMPSA-N 1 3 232.343 1.217 20 0 BDADHO CC[C@H]1C[C@@H]([NH2+]C2CCNCC2)CCO1 ZINC001246080569 987375955 /nfs/dbraw/zinc/37/59/55/987375955.db2.gz RKCFQYWMGGUFPH-RYUDHWBXSA-N 1 3 212.337 1.286 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@@H]1CCC[NH2+]C1 ZINC001246088488 987391478 /nfs/dbraw/zinc/39/14/78/987391478.db2.gz KCAUAWSUXVPINQ-GFCCVEGCSA-N 1 3 234.347 1.037 20 0 BDADHO CC1(C)C[C@@H]([NH2+][C@H]2CCCCNC2)CO1 ZINC001246092050 987398096 /nfs/dbraw/zinc/39/80/96/987398096.db2.gz RTAGEONVPNBLBN-WDEREUQCSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)NC1 ZINC001246105118 987433434 /nfs/dbraw/zinc/43/34/34/987433434.db2.gz LXSHPRDVPCMYAN-IJLUTSLNSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246106997 987438132 /nfs/dbraw/zinc/43/81/32/987438132.db2.gz RUELDWNBNNBHKS-WSOGJNRSSA-N 1 3 238.375 1.674 20 0 BDADHO CC[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC001246127668 987477631 /nfs/dbraw/zinc/47/76/31/987477631.db2.gz MDEAEKUMOUPLFY-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246129752 987479097 /nfs/dbraw/zinc/47/90/97/987479097.db2.gz HVYKHKKGEDMLPD-UTUOFQBUSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246133417 987486985 /nfs/dbraw/zinc/48/69/85/987486985.db2.gz NXHWYFSATUPRNO-GRYCIOLGSA-N 1 3 208.349 1.907 20 0 BDADHO C1[NH2+][C@@H]2COC[C@@H]2[C@@H]1NC1CCCCCCC1 ZINC001246137717 987496693 /nfs/dbraw/zinc/49/66/93/987496693.db2.gz ZXNAFAKLNIVTFU-MGPQQGTHSA-N 1 3 238.375 1.676 20 0 BDADHO CCCCCC[C@@H](C)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139670 987499868 /nfs/dbraw/zinc/49/98/68/987499868.db2.gz VEPAZWVWQPZOER-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CN1 ZINC001246155768 987516081 /nfs/dbraw/zinc/51/60/81/987516081.db2.gz XMKFBCXHYSYGRS-WDEREUQCSA-N 1 3 242.363 1.448 20 0 BDADHO CSCCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842597 987582028 /nfs/dbraw/zinc/58/20/28/987582028.db2.gz RMXAJKUSJUENRT-MNOVXSKESA-N 1 3 214.378 1.233 20 0 BDADHO CSCCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842597 987582035 /nfs/dbraw/zinc/58/20/35/987582035.db2.gz RMXAJKUSJUENRT-MNOVXSKESA-N 1 3 214.378 1.233 20 0 BDADHO COCC1(N[C@@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246196513 987590236 /nfs/dbraw/zinc/59/02/36/987590236.db2.gz SXWSAZXVQCKJRN-WDEREUQCSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2(CO)CCCC2)CCN1 ZINC001246206096 987602611 /nfs/dbraw/zinc/60/26/11/987602611.db2.gz XKWPIUBTJABGPX-QWRGUYRKSA-N 1 3 212.337 1.022 20 0 BDADHO CCCC[C@H](CO)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246212613 987610056 /nfs/dbraw/zinc/61/00/56/987610056.db2.gz VZBPKWIJDXLMLG-IJLUTSLNSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@H](CO)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246212613 987610057 /nfs/dbraw/zinc/61/00/57/987610057.db2.gz VZBPKWIJDXLMLG-IJLUTSLNSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CC(C)(C)O2)CC[NH2+]1 ZINC001246224674 987622641 /nfs/dbraw/zinc/62/26/41/987622641.db2.gz XZRBSFYNCXHNRI-GMTAPVOTSA-N 1 3 212.337 1.284 20 0 BDADHO CCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246226767 987622882 /nfs/dbraw/zinc/62/28/82/987622882.db2.gz BQQKHMSZMNBDMA-FBTJUVTCSA-N 1 3 212.337 1.020 20 0 BDADHO CO[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246241356 987642300 /nfs/dbraw/zinc/64/23/00/987642300.db2.gz ZUTUPHRFUDUWFE-UMSPYCQHSA-N 1 3 212.337 1.286 20 0 BDADHO COc1cncc(CCN[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246251337 987648504 /nfs/dbraw/zinc/64/85/04/987648504.db2.gz YVKVXVLFUNZEME-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO COc1cncc(CC[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC001246251337 987648507 /nfs/dbraw/zinc/64/85/07/987648507.db2.gz YVKVXVLFUNZEME-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249337 987650082 /nfs/dbraw/zinc/65/00/82/987650082.db2.gz OKWJOQQFGZOXOP-BBBLOLIVSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@H]1C[C@H](NCC2(c3ccccn3)CC2)CC[NH2+]1 ZINC001246276034 987669464 /nfs/dbraw/zinc/66/94/64/987669464.db2.gz ALTKBRPTKLCVFR-QWHCGFSZSA-N 1 3 245.370 1.843 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CCC(=O)c2ccccc2)CN1 ZINC001246278120 987673195 /nfs/dbraw/zinc/67/31/95/987673195.db2.gz KICHCOQMGZSVID-JSGCOSHPSA-N 1 3 246.354 1.990 20 0 BDADHO CCOC(=O)[C@H]1CC[C@@H](NCC[C@H](C)[NH3+])C1 ZINC001246304892 987700975 /nfs/dbraw/zinc/70/09/75/987700975.db2.gz MSGQHABWXBBAKE-GARJFASQSA-N 1 3 228.336 1.045 20 0 BDADHO C[C@H](N)CC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246306674 987705140 /nfs/dbraw/zinc/70/51/40/987705140.db2.gz RRIQSCUCXXIICP-UKKRHICBSA-N 1 3 210.321 1.071 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H](NCC[C@H](C)[NH3+])C1 ZINC001246307611 987708355 /nfs/dbraw/zinc/70/83/55/987708355.db2.gz ZJOFHXHOAPFIBB-AXFHLTTASA-N 1 3 228.336 1.045 20 0 BDADHO C[C@H]1CC[C@H](Nc2ccc(CN)nc2)C[NH2+]1 ZINC001246328503 987735537 /nfs/dbraw/zinc/73/55/37/987735537.db2.gz YIPBYUJYJJZBNO-ONGXEEELSA-N 1 3 220.320 1.093 20 0 BDADHO COC(CCC[NH2+][C@H]1CCN[C@H](C)C1)OC ZINC001246342454 987753818 /nfs/dbraw/zinc/75/38/18/987753818.db2.gz OWPXGMDAPAEACE-MNOVXSKESA-N 1 3 230.352 1.116 20 0 BDADHO CC(C)CC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420095 987795109 /nfs/dbraw/zinc/79/51/09/987795109.db2.gz WQZCXWWTNACEPX-NEPJUHHUSA-N 1 3 243.395 1.384 20 0 BDADHO Cc1ccnc(C2(CNC3CC[NH2+]CC3)CC2)c1 ZINC001246441048 987799018 /nfs/dbraw/zinc/79/90/18/987799018.db2.gz YAMZTKMVELIESP-UHFFFAOYSA-N 1 3 245.370 1.763 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+][C@H]2CC23CNC3)c1 ZINC001246447764 987805233 /nfs/dbraw/zinc/80/52/33/987805233.db2.gz WPGSPWDZGAMVAB-RISCZKNCSA-N 1 3 246.354 1.578 20 0 BDADHO C1=CO[C@@H](C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001474735462 987813621 /nfs/dbraw/zinc/81/36/21/987813621.db2.gz PMKXLMDTNRQCTH-UONOGXRCSA-N 1 3 236.359 1.611 20 0 BDADHO C[C@@]1(N[C@@H]2CCC[NH2+]C2)CC[C@@H](O)CC1 ZINC001246460513 987820870 /nfs/dbraw/zinc/82/08/70/987820870.db2.gz JKWMHQTWJBKDPQ-IJLUTSLNSA-N 1 3 212.337 1.022 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246464308 987822257 /nfs/dbraw/zinc/82/22/57/987822257.db2.gz ZDBOBWPROVYZTA-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]C[C@H]2COc3cnccc32)CN1 ZINC001246472007 987829631 /nfs/dbraw/zinc/82/96/31/987829631.db2.gz WNQOPRIZGSTFKJ-GRYCIOLGSA-N 1 3 247.342 1.288 20 0 BDADHO CO[C@H]1CCC[C@@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246498207 987852987 /nfs/dbraw/zinc/85/29/87/987852987.db2.gz GZCXZGAYQOGEGZ-LPWJVIDDSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[C@@H](N[C@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511775 987861138 /nfs/dbraw/zinc/86/11/38/987861138.db2.gz RRXYHFOAHIDQBU-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@]2(C)CCCOC2)CCN1 ZINC001246511775 987861145 /nfs/dbraw/zinc/86/11/45/987861145.db2.gz RRXYHFOAHIDQBU-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246513115 987863382 /nfs/dbraw/zinc/86/33/82/987863382.db2.gz GHLXCWWKQWSZAE-ZDEQEGDKSA-N 1 3 226.364 1.674 20 0 BDADHO CCC1(CC[NH2+][C@@H]2CCN[C@H](C)C2)OCCO1 ZINC001246516256 987864902 /nfs/dbraw/zinc/86/49/02/987864902.db2.gz QYFYLMBPNGEVGO-VXGBXAGGSA-N 1 3 242.363 1.260 20 0 BDADHO CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246525714 987877876 /nfs/dbraw/zinc/87/78/76/987877876.db2.gz KQFJLYIMQIDVML-USZNOCQGSA-N 1 3 243.370 1.134 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246532646 987889493 /nfs/dbraw/zinc/88/94/93/987889493.db2.gz XKPUHCOXOSYPIG-AAEUAGOBSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246532646 987889498 /nfs/dbraw/zinc/88/94/98/987889498.db2.gz XKPUHCOXOSYPIG-AAEUAGOBSA-N 1 3 242.363 1.531 20 0 BDADHO C[C@H](Cc1cccnc1)N1CCC[C@H]([NH3+])CC1 ZINC001246548197 987936282 /nfs/dbraw/zinc/93/62/82/987936282.db2.gz SPLYOHDTJUXIPH-OCCSQVGLSA-N 1 3 233.359 1.826 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@@H+]1CC[C@@H](N)[C@H]1C)C2 ZINC001246551721 987952798 /nfs/dbraw/zinc/95/27/98/987952798.db2.gz VCRRNGHAUIDMNO-RIEGTJTDSA-N 1 3 246.354 1.584 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@H](N)[C@H]1C)C2 ZINC001246551721 987952806 /nfs/dbraw/zinc/95/28/06/987952806.db2.gz VCRRNGHAUIDMNO-RIEGTJTDSA-N 1 3 246.354 1.584 20 0 BDADHO C[C@H]1C[C@@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553592 987961851 /nfs/dbraw/zinc/96/18/51/987961851.db2.gz BNEOQQJGGNXRRC-AXFHLTTASA-N 1 3 248.317 1.470 20 0 BDADHO CCCCC(CCCC)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246560974 987993168 /nfs/dbraw/zinc/99/31/68/987993168.db2.gz WKTQGGRSPRUWHN-CHWSQXEVSA-N 1 3 228.380 1.739 20 0 BDADHO CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560798 987993847 /nfs/dbraw/zinc/99/38/47/987993847.db2.gz TZLWQVWAMNNEHK-AAVRWANBSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560798 987993857 /nfs/dbraw/zinc/99/38/57/987993857.db2.gz TZLWQVWAMNNEHK-AAVRWANBSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@@H](C)C[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560798 987993872 /nfs/dbraw/zinc/99/38/72/987993872.db2.gz TZLWQVWAMNNEHK-AAVRWANBSA-N 1 3 242.407 1.841 20 0 BDADHO CCN1CCC([N@@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001246578734 988102894 /nfs/dbraw/zinc/10/28/94/988102894.db2.gz BUYVQBCQBNHQGS-CHWSQXEVSA-N 1 3 243.370 1.232 20 0 BDADHO CCN1CCC([N@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001246578734 988102907 /nfs/dbraw/zinc/10/29/07/988102907.db2.gz BUYVQBCQBNHQGS-CHWSQXEVSA-N 1 3 243.370 1.232 20 0 BDADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583146 988120143 /nfs/dbraw/zinc/12/01/43/988120143.db2.gz IJRSNOVVRGQGIN-RFGFWPKPSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583146 988120152 /nfs/dbraw/zinc/12/01/52/988120152.db2.gz IJRSNOVVRGQGIN-RFGFWPKPSA-N 1 3 242.407 1.699 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609696 988223118 /nfs/dbraw/zinc/22/31/18/988223118.db2.gz MSMAHNJHACJBHL-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609696 988223146 /nfs/dbraw/zinc/22/31/46/988223146.db2.gz MSMAHNJHACJBHL-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@@H](N2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609696 988223164 /nfs/dbraw/zinc/22/31/64/988223164.db2.gz MSMAHNJHACJBHL-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609694 988231503 /nfs/dbraw/zinc/23/15/03/988231503.db2.gz MSMAHNJHACJBHL-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609694 988231537 /nfs/dbraw/zinc/23/15/37/988231537.db2.gz MSMAHNJHACJBHL-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609694 988231562 /nfs/dbraw/zinc/23/15/62/988231562.db2.gz MSMAHNJHACJBHL-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H](CC1CC1)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246618030 988249619 /nfs/dbraw/zinc/24/96/19/988249619.db2.gz JMELYKDBHDKVCO-UBHSHLNASA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H](CC1CC1)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246618030 988249639 /nfs/dbraw/zinc/24/96/39/988249639.db2.gz JMELYKDBHDKVCO-UBHSHLNASA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634757 988314382 /nfs/dbraw/zinc/31/43/82/988314382.db2.gz OVRSTOCMZSOMAM-DBIOUOCHSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634757 988314394 /nfs/dbraw/zinc/31/43/94/988314394.db2.gz OVRSTOCMZSOMAM-DBIOUOCHSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634759 988314774 /nfs/dbraw/zinc/31/47/74/988314774.db2.gz OVRSTOCMZSOMAM-ZDCRXTMVSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN1 ZINC001246634759 988314790 /nfs/dbraw/zinc/31/47/90/988314790.db2.gz OVRSTOCMZSOMAM-ZDCRXTMVSA-N 1 3 230.302 1.714 20 0 BDADHO C1CC12CCC(N1CCN[C@]3(CC[NH2+]C3)C1)CC2 ZINC001246637872 988325843 /nfs/dbraw/zinc/32/58/43/988325843.db2.gz AEICSNSHEFBGKO-HNNXBMFYSA-N 1 3 249.402 1.347 20 0 BDADHO C[C@H]1CC(N2CC[C@@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246636789 988327580 /nfs/dbraw/zinc/32/75/80/988327580.db2.gz WXRZBILFMHUNHE-XRRVDJEJSA-N 1 3 224.348 1.379 20 0 BDADHO CCCCC[C@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640731 988344662 /nfs/dbraw/zinc/34/46/62/988344662.db2.gz GWNFNHWELXAZIY-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO CCCC[C@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645077 988359051 /nfs/dbraw/zinc/35/90/51/988359051.db2.gz SUDBVWPDLYQOBX-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO C1C[C@@H]2[C@H](CCN2C2C[C@H]3CC[C@@H](C2)O3)[NH2+]1 ZINC001246647074 988366800 /nfs/dbraw/zinc/36/68/00/988366800.db2.gz YOVCHTREFHMLEA-NTWDBFDFSA-N 1 3 222.332 1.133 20 0 BDADHO C1C[C@@]2(CO1)CCC[N@@H+](C1CCNCC1)C2 ZINC001246648909 988374301 /nfs/dbraw/zinc/37/43/01/988374301.db2.gz UDJWZQYSAUOHLG-ZDUSSCGKSA-N 1 3 224.348 1.241 20 0 BDADHO C1C[C@@]2(CO1)CCC[N@H+](C1CCNCC1)C2 ZINC001246648909 988374309 /nfs/dbraw/zinc/37/43/09/988374309.db2.gz UDJWZQYSAUOHLG-ZDUSSCGKSA-N 1 3 224.348 1.241 20 0 BDADHO C[C@@H]1CC[C@H](N2C[C@H](C)N(C)C[C@H]2C)C[NH2+]1 ZINC001246688234 988437633 /nfs/dbraw/zinc/43/76/33/988437633.db2.gz DNRCMPARTOHLRM-XQHKEYJVSA-N 1 3 225.380 1.151 20 0 BDADHO C[NH2+]CC[C@@H](C)N1CCN[C@H](c2ccccc2)C1 ZINC001246823549 988510854 /nfs/dbraw/zinc/51/08/54/988510854.db2.gz CSINLLKUWSIQLE-HIFRSBDPSA-N 1 3 247.386 1.631 20 0 BDADHO c1ccc([C@@H]2CN([C@@H]3CCC[NH2+]C3)CCN2)cc1 ZINC001246827967 988516203 /nfs/dbraw/zinc/51/62/03/988516203.db2.gz PBTQHMGLNJYFCU-CABCVRRESA-N 1 3 245.370 1.385 20 0 BDADHO C[C@@H]1C[C@H](N2CCN[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828944 988522064 /nfs/dbraw/zinc/52/20/64/988522064.db2.gz TXGSZYRBVREYNM-SNPRPXQTSA-N 1 3 245.370 1.383 20 0 BDADHO CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001503463329 988663703 /nfs/dbraw/zinc/66/37/03/988663703.db2.gz CCRTUDUPYSBZGK-NWDGAFQWSA-N 1 3 243.395 1.077 20 0 BDADHO CC[C@@H]1C[C@H](N2CC[C@@H]2NC)C[C@H](CC)[NH2+]1 ZINC001246899907 988675263 /nfs/dbraw/zinc/67/52/63/988675263.db2.gz QWZCISLUGVPGHQ-MROQNXINSA-N 1 3 225.380 1.547 20 0 BDADHO CCOCC[C@@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246917783 988715917 /nfs/dbraw/zinc/71/59/17/988715917.db2.gz SZSQMNMVIOHIAU-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CC(C)(C)[C@H]1C[C@H](N2CCNC2)CC[NH2+]1 ZINC001246989839 988820015 /nfs/dbraw/zinc/82/00/15/988820015.db2.gz IPJFTULWRYYVIC-GHMZBOCLSA-N 1 3 211.353 1.016 20 0 BDADHO CC[C@@H]1C[C@@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246995809 988828749 /nfs/dbraw/zinc/82/87/49/988828749.db2.gz MXPLEOSUALTOKL-IPYPFGDCSA-N 1 3 249.402 1.859 20 0 BDADHO c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC001515180550 988999019 /nfs/dbraw/zinc/99/90/19/988999019.db2.gz FBFSYNYASCNKNX-CYBMUJFWSA-N 1 3 217.316 1.756 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC/C=C\C1CC1 ZINC001325743602 989245318 /nfs/dbraw/zinc/24/53/18/989245318.db2.gz PPSRGMKMRKJLLN-XFKWNRGUSA-N 1 3 208.349 1.930 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC/C=C\C1CC1 ZINC001325743599 989246731 /nfs/dbraw/zinc/24/67/31/989246731.db2.gz PPSRGMKMRKJLLN-FIFDWTMUSA-N 1 3 208.349 1.930 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cc3c[nH]cn3)C[C@@H]2C1 ZINC001120072144 989589362 /nfs/dbraw/zinc/58/93/62/989589362.db2.gz RSUBSCMTIFAMAF-MBNYWOFBSA-N 1 3 248.374 1.572 20 0 BDADHO CC[C@@H](O)CNCCC[N@H+](C)CC(C)C ZINC001120503595 989686739 /nfs/dbraw/zinc/68/67/39/989686739.db2.gz URCZBYGNCJEFPK-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO CC[C@@H](O)CNCCC[N@@H+](C)CC(C)C ZINC001120503595 989686745 /nfs/dbraw/zinc/68/67/45/989686745.db2.gz URCZBYGNCJEFPK-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001122143800 990260630 /nfs/dbraw/zinc/26/06/30/990260630.db2.gz QGKVCZWWFTXOPV-GHMZBOCLSA-N 1 3 241.379 1.138 20 0 BDADHO C[NH+](C)CCOc1ccc(CN2CCC2)cc1 ZINC001138770243 991033269 /nfs/dbraw/zinc/03/32/69/991033269.db2.gz UZAUWTHYQVZZFH-UHFFFAOYSA-N 1 3 234.343 1.833 20 0 BDADHO CO[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055494 991367880 /nfs/dbraw/zinc/36/78/80/991367880.db2.gz BVHLQKKKNZAMSU-RQJABVFESA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055494 991367884 /nfs/dbraw/zinc/36/78/84/991367884.db2.gz BVHLQKKKNZAMSU-RQJABVFESA-N 1 3 238.375 1.437 20 0 BDADHO CN1CCC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000401664835 991390168 /nfs/dbraw/zinc/39/01/68/991390168.db2.gz WRIYDOFOUIUCMQ-YPMHNXCESA-N 1 3 248.374 1.719 20 0 BDADHO C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000401664835 991390175 /nfs/dbraw/zinc/39/01/75/991390175.db2.gz WRIYDOFOUIUCMQ-YPMHNXCESA-N 1 3 248.374 1.719 20 0 BDADHO C[N@H+]1CCC[C@H](CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000401664835 991390177 /nfs/dbraw/zinc/39/01/77/991390177.db2.gz WRIYDOFOUIUCMQ-YPMHNXCESA-N 1 3 248.374 1.719 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]Cc1cnc2cnccn12 ZINC001560300946 991450081 /nfs/dbraw/zinc/45/00/81/991450081.db2.gz CAUGKWKCRWEROD-LLVKDONJSA-N 1 3 247.346 1.159 20 0 BDADHO CCC[NH2+][C@H](C)CCNC(=O)[C@H](CC)N(C)C ZINC001317412648 991500819 /nfs/dbraw/zinc/50/08/19/991500819.db2.gz NUHAOZJOUKAQDD-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3ccncn3)C2)CC1 ZINC001140348423 991623206 /nfs/dbraw/zinc/62/32/06/991623206.db2.gz VPCHTRLJOZQMTQ-UHFFFAOYSA-N 1 3 246.358 1.394 20 0 BDADHO C[C@]1(F)CCN(CCCC[NH3+])C[C@H]1F ZINC001206743546 991634459 /nfs/dbraw/zinc/63/44/59/991634459.db2.gz ACFHSVQOGBANOW-ZJUUUORDSA-N 1 3 206.280 1.497 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001258766789 991728082 /nfs/dbraw/zinc/72/80/82/991728082.db2.gz AILQLYDHSJIQNY-QWHCGFSZSA-N 1 3 244.354 1.577 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001258772550 991736130 /nfs/dbraw/zinc/73/61/30/991736130.db2.gz SPQACOFPGACSSK-GXTWGEPZSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[NH+]1CCC(N2CC(C)(N(C)C)C2)CC1 ZINC001258775324 991738770 /nfs/dbraw/zinc/73/87/70/991738770.db2.gz KLOUEWVPPUWQGF-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)(C)O[C@H]1C[C@H](NCC[NH3+])C1(C)C ZINC001573469115 992617058 /nfs/dbraw/zinc/61/70/58/992617058.db2.gz JIRCBKSPGATXLV-UWVGGRQHSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC001573640350 992660862 /nfs/dbraw/zinc/66/08/62/992660862.db2.gz HPWGUUNXUOPXPS-DZGCQCFKSA-N 1 3 247.386 1.588 20 0 BDADHO C(COCC1CCC1)NC[C@@H]1CCC[NH2+]C1 ZINC001574774345 992901397 /nfs/dbraw/zinc/90/13/97/992901397.db2.gz KZNIPTHNMNCPDE-CYBMUJFWSA-N 1 3 226.364 1.392 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCCN(CC2CC2)C1)[C@H](C)O ZINC001262570183 992928341 /nfs/dbraw/zinc/92/83/41/992928341.db2.gz PMJFKNBAHYMOIJ-DYEKYZERSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)OC(=O)CCNCC(C)(C)C[NH3+] ZINC001575315505 993010510 /nfs/dbraw/zinc/01/05/10/993010510.db2.gz QPONCDXNYPODER-UHFFFAOYSA-N 1 3 230.352 1.293 20 0 BDADHO CC(C)(C)OC(=O)CC[NH2+]CC(C)(C)CN ZINC001575315505 993010517 /nfs/dbraw/zinc/01/05/17/993010517.db2.gz QPONCDXNYPODER-UHFFFAOYSA-N 1 3 230.352 1.293 20 0 BDADHO CC(C)(O)CCN1C2CCC1(C[NH3+])CC2 ZINC001575379787 993030550 /nfs/dbraw/zinc/03/05/50/993030550.db2.gz LFBPCPXFXXDCCM-UHFFFAOYSA-N 1 3 212.337 1.103 20 0 BDADHO CC(C)(O)CN(C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC001575380619 993034982 /nfs/dbraw/zinc/03/49/82/993034982.db2.gz XTSMRTQYUAZTDA-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC001575473360 993051620 /nfs/dbraw/zinc/05/16/20/993051620.db2.gz UMNQUFIBOONIPI-TZMCWYRMSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC001575473360 993051625 /nfs/dbraw/zinc/05/16/25/993051625.db2.gz UMNQUFIBOONIPI-TZMCWYRMSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)CC[C@H](CO)NC[C@H]([NH3+])CC(F)F ZINC001575556648 993074091 /nfs/dbraw/zinc/07/40/91/993074091.db2.gz ZXXMWRRLKNVIRI-NXEZZACHSA-N 1 3 238.322 1.356 20 0 BDADHO C[C@](C[NH3+])(NCc1cc[nH]c(=O)c1)C1CC1 ZINC001575976012 993145655 /nfs/dbraw/zinc/14/56/55/993145655.db2.gz QHCLPDXMKDPWDK-GFCCVEGCSA-N 1 3 221.304 1.004 20 0 BDADHO C[C@@H](NC1CC2(CC([NH3+])C2)C1)c1cnccn1 ZINC001576239258 993226471 /nfs/dbraw/zinc/22/64/71/993226471.db2.gz LXLAGSXUSPQEPJ-VHSBIODMSA-N 1 3 232.331 1.397 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H]32)C[NH2+]1 ZINC001576667632 993379915 /nfs/dbraw/zinc/37/99/15/993379915.db2.gz VHRAZXCGHQDILE-NAWOPXAZSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]1CCN(C[C@H]2COC(C)(C)O2)C[C@H]1C[NH3+] ZINC001576731683 993407676 /nfs/dbraw/zinc/40/76/76/993407676.db2.gz MVSLRVJEHNTKJU-TUAOUCFPSA-N 1 3 242.363 1.055 20 0 BDADHO C[C@H]1CCN(Cc2cc[nH]c(=O)c2)C[C@@H]1C[NH3+] ZINC001576734691 993412839 /nfs/dbraw/zinc/41/28/39/993412839.db2.gz IMWREGDFBSVYRY-JQWIXIFHSA-N 1 3 235.331 1.204 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@H]1CCCN1C ZINC001576750090 993414225 /nfs/dbraw/zinc/41/42/25/993414225.db2.gz VGOAHIBOAQYHEQ-LPWJVIDDSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@H]1CN(C[C@@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799781 993423421 /nfs/dbraw/zinc/42/34/21/993423421.db2.gz CNZPXQFCLVDGIT-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]1CN(CC23CC(C)(C2)OC3)CC[C@H]1[NH3+] ZINC001576801686 993428525 /nfs/dbraw/zinc/42/85/25/993428525.db2.gz SWVNYJYLQZXZOL-ZFDZMSFRSA-N 1 3 224.348 1.225 20 0 BDADHO CC[C@H](CSC)NC[C@H]([NH3+])CCOC ZINC001577092845 993501086 /nfs/dbraw/zinc/50/10/86/993501086.db2.gz JIZYJLLLYCNXJV-NXEZZACHSA-N 1 3 220.382 1.081 20 0 BDADHO CC[C@@H](COC)NC[C@@H]([NH3+])CC(F)(F)F ZINC001577093064 993501713 /nfs/dbraw/zinc/50/17/13/993501713.db2.gz NYUKWCWQGJPJLQ-YUMQZZPRSA-N 1 3 228.258 1.281 20 0 BDADHO CC[C@@H]([NH2+]CC(C)(C)CN)[C@@H](O)C(C)C ZINC001577176307 993530815 /nfs/dbraw/zinc/53/08/15/993530815.db2.gz YSJXYGQATFYHFL-MNOVXSKESA-N 1 3 216.369 1.356 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001577240811 993556763 /nfs/dbraw/zinc/55/67/63/993556763.db2.gz NDEVMAFQERYNKY-WYUUTHIRSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@@H]1CC[N@H+](C[C@@](C)(O)CNC)[C@H]1C ZINC001577263657 993573621 /nfs/dbraw/zinc/57/36/21/993573621.db2.gz UHOPAEKCMRLELB-TUAOUCFPSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1CC[N@@H+](C[C@@](C)(O)CNC)[C@H]1C ZINC001577263657 993573637 /nfs/dbraw/zinc/57/36/37/993573637.db2.gz UHOPAEKCMRLELB-TUAOUCFPSA-N 1 3 214.353 1.077 20 0 BDADHO CCCn1ccnc1CCC[N@H+](C)CCN ZINC001577624696 993699809 /nfs/dbraw/zinc/69/98/09/993699809.db2.gz HHIPIHXYVVCOFI-UHFFFAOYSA-N 1 3 224.352 1.116 20 0 BDADHO CCCn1ccnc1CCC[N@@H+](C)CCN ZINC001577624696 993699811 /nfs/dbraw/zinc/69/98/11/993699811.db2.gz HHIPIHXYVVCOFI-UHFFFAOYSA-N 1 3 224.352 1.116 20 0 BDADHO CCCO[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701726428 993906005 /nfs/dbraw/zinc/90/60/05/993906005.db2.gz LQGGMLKGYAXNKJ-PIGZVRMJSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000702217693 993974064 /nfs/dbraw/zinc/97/40/64/993974064.db2.gz XBJVYZZQRKFBSC-MMWGEVLESA-N 1 3 200.326 1.127 20 0 BDADHO C[C@H]1C[N@H+](CC2C[C@@H](C)O[C@H](C)C2)C[C@H]1CN ZINC000724416766 994067120 /nfs/dbraw/zinc/06/71/20/994067120.db2.gz FSUDNMPIUBBNSO-FMCLSXCISA-N 1 3 240.391 1.717 20 0 BDADHO C[C@H]1C[N@@H+](CC2C[C@@H](C)O[C@H](C)C2)C[C@H]1CN ZINC000724416766 994067129 /nfs/dbraw/zinc/06/71/29/994067129.db2.gz FSUDNMPIUBBNSO-FMCLSXCISA-N 1 3 240.391 1.717 20 0 BDADHO COc1ccccc1CCNC[C@@]1(C)CC[NH2+]C1 ZINC000415088087 398157291 /nfs/dbraw/zinc/15/72/91/398157291.db2.gz UQQYVOMSMDELQQ-OAHLLOKOSA-N 1 3 248.370 1.827 20 0 BDADHO C[C@H](N[C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023510 398163318 /nfs/dbraw/zinc/16/33/18/398163318.db2.gz JUFWMLGWHQZWCL-GWCFXTLKSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+][C@H](CO)CC1CCCC1)C1CNC1 ZINC000423023510 398163323 /nfs/dbraw/zinc/16/33/23/398163323.db2.gz JUFWMLGWHQZWCL-GWCFXTLKSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000423174003 398164201 /nfs/dbraw/zinc/16/42/01/398164201.db2.gz AWVRVFMPFCVCBU-RQJABVFESA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000423174004 398164515 /nfs/dbraw/zinc/16/45/15/398164515.db2.gz AWVRVFMPFCVCBU-SYQHCUMBSA-N 1 3 240.391 1.515 20 0 BDADHO CCOC[C@@H]1CCCC[N@@H+]1CC(C)(C)N ZINC000313297515 398189921 /nfs/dbraw/zinc/18/99/21/398189921.db2.gz QYKQCVXANHBEOS-NSHDSACASA-N 1 3 214.353 1.615 20 0 BDADHO CCOC[C@@H]1CCCC[N@H+]1CC(C)(C)N ZINC000313297515 398189924 /nfs/dbraw/zinc/18/99/24/398189924.db2.gz QYKQCVXANHBEOS-NSHDSACASA-N 1 3 214.353 1.615 20 0 BDADHO COC[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000226330631 398213964 /nfs/dbraw/zinc/21/39/64/398213964.db2.gz WBANXAPLUPMFLU-HBNTYKKESA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)C1CCCC1 ZINC000380986102 398216344 /nfs/dbraw/zinc/21/63/44/398216344.db2.gz DDSZMLCCGCIUEA-CYBMUJFWSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)C1CCCC1 ZINC000380986102 398216345 /nfs/dbraw/zinc/21/63/45/398216345.db2.gz DDSZMLCCGCIUEA-CYBMUJFWSA-N 1 3 228.380 1.562 20 0 BDADHO Cc1n[nH]cc1[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000643512129 398224527 /nfs/dbraw/zinc/22/45/27/398224527.db2.gz QQNZCNVMIWRCMA-GAFUQQFSSA-N 1 3 236.363 1.886 20 0 BDADHO Cn1ccc(CNC(C)(C)CCC[NH+](C)C)n1 ZINC000387225348 398228814 /nfs/dbraw/zinc/22/88/14/398228814.db2.gz MBOSAPXUUZLYDB-UHFFFAOYSA-N 1 3 238.379 1.630 20 0 BDADHO C[C@H](CNC(=O)CCC[NH3+])N1CCCC[C@@H]1C ZINC000430766221 398231936 /nfs/dbraw/zinc/23/19/36/398231936.db2.gz WMPMCXXZNBIQAR-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CNC(=O)CCC[NH3+])N1CCCC[C@H]1C ZINC000430765998 398232319 /nfs/dbraw/zinc/23/23/19/398232319.db2.gz WMPMCXXZNBIQAR-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cc([C@@H](C)NCCCC[NH+](C)C)nn1C ZINC000337532059 178225261 /nfs/dbraw/zinc/22/52/61/178225261.db2.gz VUMOVOBCYRFKSM-GFCCVEGCSA-N 1 3 238.379 1.721 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000252782484 136226970 /nfs/dbraw/zinc/22/69/70/136226970.db2.gz NJNJLDKYGPFIOA-LERXQTSPSA-N 1 3 232.327 1.900 20 0 BDADHO C[C@@H]1CCCC[C@@H]1C[NH2+]CCOCCN(C)C ZINC000349190574 398245542 /nfs/dbraw/zinc/24/55/42/398245542.db2.gz KPSBWUCOOOKEQF-ZIAGYGMSSA-N 1 3 242.407 1.981 20 0 BDADHO COCCCCCN1CCC(C)([NH3+])CC1 ZINC000381492228 398257180 /nfs/dbraw/zinc/25/71/80/398257180.db2.gz YKMZNVHURIRNCN-UHFFFAOYSA-N 1 3 214.353 1.616 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCCn2ccnc2C)C1 ZINC000348749053 136238065 /nfs/dbraw/zinc/23/80/65/136238065.db2.gz MTNXBPOVJRUMLX-ZDUSSCGKSA-N 1 3 236.363 1.123 20 0 BDADHO COC[C@@H](C)C[NH2+]CCCN1CCCC1 ZINC000045695225 538993235 /nfs/dbraw/zinc/99/32/35/538993235.db2.gz NRRIQYISPFZEFJ-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO COC1(C[NH2+]CCCNC2CC2)CCCC1 ZINC000382556570 361958505 /nfs/dbraw/zinc/95/85/05/361958505.db2.gz LBPKKVGBSUZLCO-UHFFFAOYSA-N 1 3 226.364 1.677 20 0 BDADHO COC1(CNCCC[NH2+]C2CC2)CCCC1 ZINC000382556570 361958509 /nfs/dbraw/zinc/95/85/09/361958509.db2.gz LBPKKVGBSUZLCO-UHFFFAOYSA-N 1 3 226.364 1.677 20 0 BDADHO CCc1nn(C)cc1CNCC1=CC[N@H+](C)CC1 ZINC000392261080 539028071 /nfs/dbraw/zinc/02/80/71/539028071.db2.gz DEWMUAIBLNLTCX-UHFFFAOYSA-N 1 3 248.374 1.334 20 0 BDADHO CCc1nn(C)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000392261080 539028072 /nfs/dbraw/zinc/02/80/72/539028072.db2.gz DEWMUAIBLNLTCX-UHFFFAOYSA-N 1 3 248.374 1.334 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000392271924 398316899 /nfs/dbraw/zinc/31/68/99/398316899.db2.gz VDOMDHGBYBTKDO-ZYHUDNBSSA-N 1 3 226.389 1.732 20 0 BDADHO C[C@H]([NH2+]CCn1ccnc1)[C@H]1CCCCN1 ZINC000385985656 342893364 /nfs/dbraw/zinc/89/33/64/342893364.db2.gz IOLHJFCXIXLHPQ-NWDGAFQWSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@@H]([NH3+])CC(=O)Nc1ccc(CN(C)C)cc1 ZINC000037608557 398332490 /nfs/dbraw/zinc/33/24/90/398332490.db2.gz YTQFBGQFTFFIKT-SNVBAGLBSA-N 1 3 235.331 1.424 20 0 BDADHO COCC1(C[NH2+]CC2=CCN(C)CC2)CCC1 ZINC000392850195 398335675 /nfs/dbraw/zinc/33/56/75/398335675.db2.gz IDCBJWYPXHTZOO-UHFFFAOYSA-N 1 3 238.375 1.655 20 0 BDADHO CC(C)([NH3+])CC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000648179250 398341556 /nfs/dbraw/zinc/34/15/56/398341556.db2.gz YEKAHHOWUNJFMN-LLVKDONJSA-N 1 3 247.342 1.030 20 0 BDADHO CC[NH+](CC)[C@@H](CNC(=O)CN)c1ccccc1 ZINC000019479102 342949663 /nfs/dbraw/zinc/94/96/63/342949663.db2.gz CBWMGSRCBWCMAF-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO CC(C)(C)CCCN1CCCO[C@H](C[NH3+])C1 ZINC000313355434 259333667 /nfs/dbraw/zinc/33/36/67/259333667.db2.gz PNMWHGDZXFCBQM-GFCCVEGCSA-N 1 3 228.380 1.862 20 0 BDADHO CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503689 346904264 /nfs/dbraw/zinc/90/42/64/346904264.db2.gz MJCVXOHSJFQLFZ-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000335595010 536740564 /nfs/dbraw/zinc/74/05/64/536740564.db2.gz MDQWWNCNNPYCPP-BLYZHGLHSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOCC2CC2)C1 ZINC000236316616 343091497 /nfs/dbraw/zinc/09/14/97/343091497.db2.gz HBYKKVYXLZDSCG-NWDGAFQWSA-N 1 3 212.337 1.273 20 0 BDADHO CNCc1ccccc1NC(=O)CCC[NH3+] ZINC000237113327 343126338 /nfs/dbraw/zinc/12/63/38/343126338.db2.gz SPFYOUABBGVZDG-UHFFFAOYSA-N 1 3 221.304 1.083 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3c(c2)OCO3)C1 ZINC000093210133 343151233 /nfs/dbraw/zinc/15/12/33/343151233.db2.gz FHDAUBWPGKKCAA-NWDGAFQWSA-N 1 3 248.326 1.775 20 0 BDADHO CCn1cc(CN(C)CC2CC[NH2+]CC2)cn1 ZINC000094024704 343152376 /nfs/dbraw/zinc/15/23/76/343152376.db2.gz OHYOSKKZYDFEMO-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO C[NH2+]C[C@](C)(O)CN(C)C[C@H](C)C(C)(C)C ZINC000634688259 343246641 /nfs/dbraw/zinc/24/66/41/343246641.db2.gz NHPGFJLJHNTELA-AAEUAGOBSA-N 1 3 230.396 1.571 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCC[C@H]1CN ZINC000084222845 136290880 /nfs/dbraw/zinc/29/08/80/136290880.db2.gz GLDKJIBSYCWSSP-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO Cc1nccn1CCC[NH+]1C[C@H](C)N[C@@H](C)C1 ZINC000348756597 136297722 /nfs/dbraw/zinc/29/77/22/136297722.db2.gz PBWRDPRMFGFICB-RYUDHWBXSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000348756598 136297743 /nfs/dbraw/zinc/29/77/43/136297743.db2.gz PBWRDPRMFGFICB-TXEJJXNPSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](C)N[C@@H](C)C1 ZINC000348756598 136297744 /nfs/dbraw/zinc/29/77/44/136297744.db2.gz PBWRDPRMFGFICB-TXEJJXNPSA-N 1 3 236.363 1.264 20 0 BDADHO CN(C)Cc1ccccc1CNC(=O)CCC[NH3+] ZINC000040855249 343409983 /nfs/dbraw/zinc/40/99/83/343409983.db2.gz FFEBDDBLLBIPOH-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400338073 529711719 /nfs/dbraw/zinc/71/17/19/529711719.db2.gz HYOCWSNXJRFILL-USZNOCQGSA-N 1 3 214.353 1.124 20 0 BDADHO C(CN1CCC2(CCO2)CC1)C[NH+]1CCCC1 ZINC000367110142 136361833 /nfs/dbraw/zinc/36/18/33/136361833.db2.gz WDGYOBFLRHDZOL-UHFFFAOYSA-N 1 3 238.375 1.727 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247982694 136373503 /nfs/dbraw/zinc/37/35/03/136373503.db2.gz NETAXUXTSYKSQU-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247982694 136373504 /nfs/dbraw/zinc/37/35/04/136373504.db2.gz NETAXUXTSYKSQU-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247982694 136373505 /nfs/dbraw/zinc/37/35/05/136373505.db2.gz NETAXUXTSYKSQU-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247982694 136373506 /nfs/dbraw/zinc/37/35/06/136373506.db2.gz NETAXUXTSYKSQU-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO CC(C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000082478057 343444909 /nfs/dbraw/zinc/44/49/09/343444909.db2.gz WMTQJOOTZAZDHW-UHFFFAOYSA-N 1 3 213.369 1.010 20 0 BDADHO C[N@H+](CC[C@H]1CCCO1)C1CCNCC1 ZINC000083528210 343488497 /nfs/dbraw/zinc/48/84/97/343488497.db2.gz NGDSWPLDJVDPEL-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO C[N@@H+](CC[C@H]1CCCO1)C1CCNCC1 ZINC000083528210 343488500 /nfs/dbraw/zinc/48/85/00/343488500.db2.gz NGDSWPLDJVDPEL-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO CN(CC[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000083528210 343488503 /nfs/dbraw/zinc/48/85/03/343488503.db2.gz NGDSWPLDJVDPEL-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000082922846 343471034 /nfs/dbraw/zinc/47/10/34/343471034.db2.gz SSAFJJMYJKYNKU-UWVGGRQHSA-N 1 3 200.326 1.128 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000082922846 343471036 /nfs/dbraw/zinc/47/10/36/343471036.db2.gz SSAFJJMYJKYNKU-UWVGGRQHSA-N 1 3 200.326 1.128 20 0 BDADHO C[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000052395783 343600157 /nfs/dbraw/zinc/60/01/57/343600157.db2.gz YGVVGRFXNKZDQM-WCQYABFASA-N 1 3 249.358 1.013 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262753984 349863973 /nfs/dbraw/zinc/86/39/73/349863973.db2.gz OEAUQWQCVKNWER-RYUDHWBXSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@@H]([NH2+]CCCNC(C)C)[C@@H]1CCOC1 ZINC000570562024 323063203 /nfs/dbraw/zinc/06/32/03/323063203.db2.gz HDLXEQIRPWFMDR-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@@H](COC)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733340 344113264 /nfs/dbraw/zinc/11/32/64/344113264.db2.gz CXCUKIKIAALYOH-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC2=CCCOC2)C1 ZINC000634733321 344113297 /nfs/dbraw/zinc/11/32/97/344113297.db2.gz CORYFENORNTVSM-ZDUSSCGKSA-N 1 3 238.375 1.701 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622043992 344227618 /nfs/dbraw/zinc/22/76/18/344227618.db2.gz RBJSWACWBAWGCF-ZRUFSTJUSA-N 1 3 248.317 1.374 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000132131873 344279695 /nfs/dbraw/zinc/27/96/95/344279695.db2.gz PFZHDVRYURFJLX-STQMWFEESA-N 1 3 241.423 1.504 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000570792708 323070534 /nfs/dbraw/zinc/07/05/34/323070534.db2.gz ISTRILRJFAXBCM-NOOOWODRSA-N 1 3 226.364 1.395 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+](C)CCCN)CCO1 ZINC000381239148 344241604 /nfs/dbraw/zinc/24/16/04/344241604.db2.gz MPRLVWSYZBBEGR-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+](C)CCCN)CCO1 ZINC000381239148 344241605 /nfs/dbraw/zinc/24/16/05/344241605.db2.gz MPRLVWSYZBBEGR-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@@H]1C[C@@H](CN(C)CCC[NH3+])CCO1 ZINC000381239148 344241608 /nfs/dbraw/zinc/24/16/08/344241608.db2.gz MPRLVWSYZBBEGR-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H]1C[C@@H](C[N@H+](C)CCCN)CCO1 ZINC000381239151 344242096 /nfs/dbraw/zinc/24/20/96/344242096.db2.gz MPRLVWSYZBBEGR-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H]1C[C@@H](C[N@@H+](C)CCCN)CCO1 ZINC000381239151 344242097 /nfs/dbraw/zinc/24/20/97/344242097.db2.gz MPRLVWSYZBBEGR-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H]1C[C@@H](CN(C)CCC[NH3+])CCO1 ZINC000381239151 344242098 /nfs/dbraw/zinc/24/20/98/344242098.db2.gz MPRLVWSYZBBEGR-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H]1CN(CCCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000600709271 344360742 /nfs/dbraw/zinc/36/07/42/344360742.db2.gz IBDBCZHFLRJOPW-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CCCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000600712504 344361729 /nfs/dbraw/zinc/36/17/29/344361729.db2.gz XSYCTHCLANPDNO-GHMZBOCLSA-N 1 3 228.336 1.141 20 0 BDADHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000577382996 344526090 /nfs/dbraw/zinc/52/60/90/344526090.db2.gz IMLYCSKVDLUQGK-LSDHHAIUSA-N 1 3 248.370 1.929 20 0 BDADHO Cc1cccc(C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000077450123 344824664 /nfs/dbraw/zinc/82/46/64/344824664.db2.gz XARFBRCAZVYTJY-UHFFFAOYSA-N 1 3 248.370 1.541 20 0 BDADHO C(C1CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000156493076 345168295 /nfs/dbraw/zinc/16/82/95/345168295.db2.gz GVZWNOODMPOWFX-ZDUSSCGKSA-N 1 3 208.349 1.814 20 0 BDADHO C(C1CC1)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000156493076 345168297 /nfs/dbraw/zinc/16/82/97/345168297.db2.gz GVZWNOODMPOWFX-ZDUSSCGKSA-N 1 3 208.349 1.814 20 0 BDADHO C(C1CC1)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000156493076 345168300 /nfs/dbraw/zinc/16/83/00/345168300.db2.gz GVZWNOODMPOWFX-ZDUSSCGKSA-N 1 3 208.349 1.814 20 0 BDADHO C([NH2+][C@@]12C[C@@H]1CCCC2)C12CC(C1)CN2 ZINC000635001314 345197543 /nfs/dbraw/zinc/19/75/43/345197543.db2.gz OAODLIJIAKIPIT-MVKMKZAISA-N 1 3 206.333 1.661 20 0 BDADHO C[C@H]1CN(Cc2cccc3c2NCC3)C[C@H]1C[NH3+] ZINC000634999341 345198973 /nfs/dbraw/zinc/19/89/73/345198973.db2.gz SQCAAKQCKAKLPN-SMDDNHRTSA-N 1 3 245.370 1.681 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](N[C@H]2CCn3ccnc32)CC1 ZINC000635004988 345209262 /nfs/dbraw/zinc/20/92/62/345209262.db2.gz LBQGRLVEAQKSJL-SRVKXCTJSA-N 1 3 234.347 1.435 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H](C)C[C@@H](C)N ZINC000635006037 345209717 /nfs/dbraw/zinc/20/97/17/345209717.db2.gz XFTSEWXDMVMKTB-GMTAPVOTSA-N 1 3 202.342 1.253 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccn(C)n1 ZINC000635006833 345211309 /nfs/dbraw/zinc/21/13/09/345211309.db2.gz TXAFBOUUTMWXFC-SRVKXCTJSA-N 1 3 236.363 1.588 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635010784 345212839 /nfs/dbraw/zinc/21/28/39/345212839.db2.gz BEFRGAMIYPRDBO-LURQLKTLSA-N 1 3 222.254 1.654 20 0 BDADHO CC1CC(Nc2cc(N3CCNCC3)cc[nH+]2)C1 ZINC000635007847 345215052 /nfs/dbraw/zinc/21/50/52/345215052.db2.gz GWMCCYSHVYLUOE-UHFFFAOYSA-N 1 3 246.358 1.702 20 0 BDADHO CCOCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158829514 345380961 /nfs/dbraw/zinc/38/09/61/345380961.db2.gz DDQLUMBYAJTCLI-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158829514 345380962 /nfs/dbraw/zinc/38/09/62/345380962.db2.gz DDQLUMBYAJTCLI-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158829514 345380965 /nfs/dbraw/zinc/38/09/65/345380965.db2.gz DDQLUMBYAJTCLI-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158829514 345380968 /nfs/dbraw/zinc/38/09/68/345380968.db2.gz DDQLUMBYAJTCLI-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCCO)[C@H](C)C1 ZINC000081096920 345465302 /nfs/dbraw/zinc/46/53/02/345465302.db2.gz MBOCNAUSLMOGIJ-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCCO)[C@H](C)C1 ZINC000081096920 345465303 /nfs/dbraw/zinc/46/53/03/345465303.db2.gz MBOCNAUSLMOGIJ-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](CC[NH3+])NCc1cccc(-n2cccn2)c1 ZINC000136133430 345480191 /nfs/dbraw/zinc/48/01/91/345480191.db2.gz IRKXLTAPIIWSHI-LBPRGKRZSA-N 1 3 244.342 1.699 20 0 BDADHO Cc1cc(N2C[C@H](C)N(CCO)C[C@@H]2C)cc[nH+]1 ZINC000418991987 192091583 /nfs/dbraw/zinc/09/15/83/192091583.db2.gz FJZZYBHQENVMTH-STQMWFEESA-N 1 3 249.358 1.281 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CC[C@@H](C)C1 ZINC000641771645 362710618 /nfs/dbraw/zinc/71/06/18/362710618.db2.gz KRYLAGDOQIKBFE-MGPQQGTHSA-N 1 3 242.407 1.857 20 0 BDADHO CC[C@H](C)CN[C@H](CO)CC[NH+](CC)CC ZINC000641773666 362713071 /nfs/dbraw/zinc/71/30/71/362713071.db2.gz ZAXWPYRJICBPDS-STQMWFEESA-N 1 3 230.396 1.715 20 0 BDADHO C[C@H]1CCC(C)(C)[N@@H+]1CCN1CCNCC1 ZINC000641800233 362750574 /nfs/dbraw/zinc/75/05/74/362750574.db2.gz AAUISFHFVQCAQN-LBPRGKRZSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@H]1CCC(C)(C)[N@H+]1CCN1CCNCC1 ZINC000641800233 362750581 /nfs/dbraw/zinc/75/05/81/362750581.db2.gz AAUISFHFVQCAQN-LBPRGKRZSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@H]1CN(CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641797613 362745168 /nfs/dbraw/zinc/74/51/68/362745168.db2.gz DLHCSSIWFIUFHZ-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO CC1(C)[C@H](NCCCc2ccncc2)C[C@@H]1[NH3+] ZINC000641802270 362757486 /nfs/dbraw/zinc/75/74/86/362757486.db2.gz IRAUQADCRUAQMP-QWHCGFSZSA-N 1 3 233.359 1.730 20 0 BDADHO CCO[C@H](C[NH2+][C@H]1C[C@H](N)C1(C)C)C1CC1 ZINC000641801982 362758359 /nfs/dbraw/zinc/75/83/59/362758359.db2.gz XFNALPJJFXSNPC-WOPDTQHZSA-N 1 3 226.364 1.517 20 0 BDADHO CCO[C@H](CN[C@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000641801982 362758362 /nfs/dbraw/zinc/75/83/62/362758362.db2.gz XFNALPJJFXSNPC-WOPDTQHZSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H](O)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300374892 346530741 /nfs/dbraw/zinc/53/07/41/346530741.db2.gz CHNCINJCUVGBMF-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO CCN1CC[C@@H]([NH2+]CC(C)(C)N(C)C)[C@@H](C)C1 ZINC000345237738 365836897 /nfs/dbraw/zinc/83/68/97/365836897.db2.gz QQFMOCPIFYZJDS-QWHCGFSZSA-N 1 3 241.423 1.647 20 0 BDADHO FCCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000380203043 346737804 /nfs/dbraw/zinc/73/78/04/346737804.db2.gz RPSUVHGMYSMSQS-CYBMUJFWSA-N 1 3 243.370 1.106 20 0 BDADHO Cc1cccc(OCC[NH2+]CC2(N)CCC2)c1 ZINC000342146439 179168490 /nfs/dbraw/zinc/16/84/90/179168490.db2.gz TURIYDJDOYINIJ-UHFFFAOYSA-N 1 3 234.343 1.845 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2c[nH]nc21 ZINC000580326334 347131863 /nfs/dbraw/zinc/13/18/63/347131863.db2.gz OJPBKWLOLSPTJG-UWVGGRQHSA-N 1 3 232.331 1.778 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250353211 362800615 /nfs/dbraw/zinc/80/06/15/362800615.db2.gz RQPXJFHZZYVFAI-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@H]([NH3+])C[C@@H]2C)O1 ZINC000149790542 347520961 /nfs/dbraw/zinc/52/09/61/347520961.db2.gz LVMUFSPIZVWESH-WHOHXGKFSA-N 1 3 212.337 1.366 20 0 BDADHO CC(C)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000082485167 347620104 /nfs/dbraw/zinc/62/01/04/347620104.db2.gz PXZVVKYLBWBBRR-UHFFFAOYSA-N 1 3 227.396 1.258 20 0 BDADHO Cc1ccccc1C[N@@H+]1C[C@H](N)[C@@H](C)C1 ZINC000235672096 179275763 /nfs/dbraw/zinc/27/57/63/179275763.db2.gz URKCBNFTZWTUJP-AAEUAGOBSA-N 1 3 204.317 1.774 20 0 BDADHO Cc1ccccc1C[N@H+]1C[C@H](N)[C@@H](C)C1 ZINC000235672096 179275765 /nfs/dbraw/zinc/27/57/65/179275765.db2.gz URKCBNFTZWTUJP-AAEUAGOBSA-N 1 3 204.317 1.774 20 0 BDADHO Cc1ccccc1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000037859816 179281697 /nfs/dbraw/zinc/28/16/97/179281697.db2.gz NVALXFOMYVRJAC-OAHLLOKOSA-N 1 3 248.370 1.541 20 0 BDADHO CC[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000082496647 347664797 /nfs/dbraw/zinc/66/47/97/347664797.db2.gz ZUPMOAVWDTVPNI-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO [NH3+]C[C@H]1CCCN(CCCCCF)C1 ZINC000308454798 347668860 /nfs/dbraw/zinc/66/88/60/347668860.db2.gz DMEYSCGJFMEGSJ-LLVKDONJSA-N 1 3 202.317 1.797 20 0 BDADHO NC[C@H]1CCC[N@H+](CCCCCF)C1 ZINC000308454798 347668863 /nfs/dbraw/zinc/66/88/63/347668863.db2.gz DMEYSCGJFMEGSJ-LLVKDONJSA-N 1 3 202.317 1.797 20 0 BDADHO NC[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000308454798 347668866 /nfs/dbraw/zinc/66/88/66/347668866.db2.gz DMEYSCGJFMEGSJ-LLVKDONJSA-N 1 3 202.317 1.797 20 0 BDADHO CCC(CC)(CNC[C@H]1CC[NH2+]C1)C(=O)OC ZINC000592495530 347788579 /nfs/dbraw/zinc/78/85/79/347788579.db2.gz KZWFKCMMRPQYHN-NSHDSACASA-N 1 3 242.363 1.165 20 0 BDADHO CCOC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000592471338 347790207 /nfs/dbraw/zinc/79/02/07/347790207.db2.gz WYAPOOXGFUJASA-UHFFFAOYSA-N 1 3 240.347 1.156 20 0 BDADHO CCOC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000592471338 347790209 /nfs/dbraw/zinc/79/02/09/347790209.db2.gz WYAPOOXGFUJASA-UHFFFAOYSA-N 1 3 240.347 1.156 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOCC1CCC1 ZINC000577382529 365941085 /nfs/dbraw/zinc/94/10/85/365941085.db2.gz WRCIXKOWMOJINE-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO CCC[C@](C)(N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098320 348053489 /nfs/dbraw/zinc/05/34/89/348053489.db2.gz VHNDHMSVRCFYFW-ZDUSSCGKSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)([NH3+])CC(=O)Nc1cccc2c1CNCC2 ZINC000375963076 187389241 /nfs/dbraw/zinc/38/92/41/187389241.db2.gz IICUPRXCYRALSA-UHFFFAOYSA-N 1 3 247.342 1.398 20 0 BDADHO CC[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000419316541 192121246 /nfs/dbraw/zinc/12/12/46/192121246.db2.gz XAYVMLLRISSJAA-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000419316541 192121248 /nfs/dbraw/zinc/12/12/48/192121248.db2.gz XAYVMLLRISSJAA-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@H](CN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000419316541 192121250 /nfs/dbraw/zinc/12/12/50/192121250.db2.gz XAYVMLLRISSJAA-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000397400547 362884747 /nfs/dbraw/zinc/88/47/47/362884747.db2.gz QVFVXOTWPKCYRB-NQBHXWOUSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCc2cn[nH]c2)C[C@H]1CN ZINC000397400547 362884749 /nfs/dbraw/zinc/88/47/49/362884749.db2.gz QVFVXOTWPKCYRB-NQBHXWOUSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2cn[nH]c2)C[C@H]1CN ZINC000397400547 362884751 /nfs/dbraw/zinc/88/47/51/362884751.db2.gz QVFVXOTWPKCYRB-NQBHXWOUSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000397400550 362884919 /nfs/dbraw/zinc/88/49/19/362884919.db2.gz QVFVXOTWPKCYRB-NTZNESFSSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCc2cn[nH]c2)C[C@H]1CN ZINC000397400550 362884923 /nfs/dbraw/zinc/88/49/23/362884923.db2.gz QVFVXOTWPKCYRB-NTZNESFSSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCc2cn[nH]c2)C[C@H]1CN ZINC000397400550 362884928 /nfs/dbraw/zinc/88/49/28/362884928.db2.gz QVFVXOTWPKCYRB-NTZNESFSSA-N 1 3 236.363 1.257 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049551844 187395746 /nfs/dbraw/zinc/39/57/46/187395746.db2.gz MRZNWBOVQXXLNA-ZDUSSCGKSA-N 1 3 241.423 1.789 20 0 BDADHO C[C@H]([NH3+])CCC(=O)NCCN1CCCCCC1 ZINC000070317342 349993755 /nfs/dbraw/zinc/99/37/55/349993755.db2.gz QJWWPVIVAFODDX-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO CCSC1(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000596650069 348605293 /nfs/dbraw/zinc/60/52/93/348605293.db2.gz FREXRGDBFVYQQB-ZJUUUORDSA-N 1 3 216.394 1.988 20 0 BDADHO CCSC1(CN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000596650069 348605297 /nfs/dbraw/zinc/60/52/97/348605297.db2.gz FREXRGDBFVYQQB-ZJUUUORDSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@@H]1CCCOC1 ZINC000070013902 490197694 /nfs/dbraw/zinc/19/76/94/490197694.db2.gz BLHXSDUUCNGIBC-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243345 /nfs/dbraw/zinc/24/33/45/490243345.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243355 /nfs/dbraw/zinc/24/33/55/490243355.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243361 /nfs/dbraw/zinc/24/33/61/490243361.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661972342 490243365 /nfs/dbraw/zinc/24/33/65/490243365.db2.gz PPNJTGPXMOTKGV-JHJVBQTASA-N 1 3 208.349 1.813 20 0 BDADHO C[C@H]([NH3+])C1CCN([C@@H](C)c2cnccn2)CC1 ZINC000070480052 350015150 /nfs/dbraw/zinc/01/51/50/350015150.db2.gz ZDEIPDMDOJTVDB-QWRGUYRKSA-N 1 3 234.347 1.597 20 0 BDADHO CC[C@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000219377496 350123920 /nfs/dbraw/zinc/12/39/20/350123920.db2.gz QTRHBJHFRCLFQJ-YNEHKIRRSA-N 1 3 228.380 1.658 20 0 BDADHO CCOC[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000132431254 191032959 /nfs/dbraw/zinc/03/29/59/191032959.db2.gz UXYYVNBYVHVCQV-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000132431254 191032962 /nfs/dbraw/zinc/03/29/62/191032962.db2.gz UXYYVNBYVHVCQV-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427128214 191054410 /nfs/dbraw/zinc/05/44/10/191054410.db2.gz KACBPKBLXWCOPV-VXGBXAGGSA-N 1 3 226.364 1.343 20 0 BDADHO C(C[NH+]1CCCCCCC1)N1CCNCC1 ZINC000037482559 191069482 /nfs/dbraw/zinc/06/94/82/191069482.db2.gz PTUCWPJJTICGOV-UHFFFAOYSA-N 1 3 225.380 1.158 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000083527374 350234479 /nfs/dbraw/zinc/23/44/79/350234479.db2.gz DBHZOSFHPBCUEE-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@H]2COCC2(C)C)CC1(C)C ZINC000623541683 362959407 /nfs/dbraw/zinc/95/94/07/362959407.db2.gz TWFZMRDYPGWJTN-RYUDHWBXSA-N 1 3 240.391 1.874 20 0 BDADHO C[N@H+]1CC[C@H](N[C@H]2COCC2(C)C)CC1(C)C ZINC000623541683 362959410 /nfs/dbraw/zinc/95/94/10/362959410.db2.gz TWFZMRDYPGWJTN-RYUDHWBXSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)CN1CCCC1 ZINC000070361849 350531217 /nfs/dbraw/zinc/53/12/17/350531217.db2.gz IDQAXAAGGKVOFZ-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000163494051 350523449 /nfs/dbraw/zinc/52/34/49/350523449.db2.gz BDIWSPHLWKBZKK-KGLIPLIRSA-N 1 3 241.423 1.791 20 0 BDADHO CNCc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000571402365 350974772 /nfs/dbraw/zinc/97/47/72/350974772.db2.gz RAVCSXSEGQAWIY-UHFFFAOYSA-N 1 3 235.331 1.474 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000225694796 259419074 /nfs/dbraw/zinc/41/90/74/259419074.db2.gz BYLKVGZRLDYSCQ-QWHCGFSZSA-N 1 3 228.380 1.589 20 0 BDADHO CNCc1ccccc1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000637807419 351644748 /nfs/dbraw/zinc/64/47/48/351644748.db2.gz HIUJSRZNYLFASY-LBPRGKRZSA-N 1 3 245.326 1.392 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000638049754 351927556 /nfs/dbraw/zinc/92/75/56/351927556.db2.gz HIZWVJOIZYORDM-LLVKDONJSA-N 1 3 243.395 1.206 20 0 BDADHO O=C(CCC1C[NH2+]C1)Nc1ccc2c(c1)CNC2 ZINC000638259894 352104487 /nfs/dbraw/zinc/10/44/87/352104487.db2.gz ZBBJRUXMRZFFKE-UHFFFAOYSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638368352 352179278 /nfs/dbraw/zinc/17/92/78/352179278.db2.gz JKHZMEBOGVEXQR-QWRGUYRKSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000638374907 352187348 /nfs/dbraw/zinc/18/73/48/352187348.db2.gz RFPSEPUZBHRYJH-LBPRGKRZSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000638409282 352218534 /nfs/dbraw/zinc/21/85/34/352218534.db2.gz OHSXSDFNPPWNSS-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CCCC[C@@H](COC)N[C@@H]1CCC[NH2+]CC1 ZINC000414918319 352273603 /nfs/dbraw/zinc/27/36/03/352273603.db2.gz RZXKRAVUBFHETK-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO C[NH2+]CCC(=O)N1CCCc2cccc(CN)c21 ZINC000638543034 352374157 /nfs/dbraw/zinc/37/41/57/352374157.db2.gz BXRWNKMOKCCGAS-UHFFFAOYSA-N 1 3 247.342 1.034 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000412037250 191247743 /nfs/dbraw/zinc/24/77/43/191247743.db2.gz NHSRSXIPWPCBBL-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000412037250 191247744 /nfs/dbraw/zinc/24/77/44/191247744.db2.gz NHSRSXIPWPCBBL-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CC(C)N(CC[NH2+][C@@H]1CN(C)C[C@@H]1C)C(C)C ZINC000342852769 352874993 /nfs/dbraw/zinc/87/49/93/352874993.db2.gz RTHXDQYYVXHYCO-UONOGXRCSA-N 1 3 241.423 1.645 20 0 BDADHO CO[C@@](C)(C[NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000638838061 353022699 /nfs/dbraw/zinc/02/26/99/353022699.db2.gz CKZJONAQAMMEEQ-AWEZNQCLSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000428213128 538107646 /nfs/dbraw/zinc/10/76/46/538107646.db2.gz QLNXVSNBQKHTQI-LLVKDONJSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000398681569 353129173 /nfs/dbraw/zinc/12/91/73/353129173.db2.gz NSEZYHVSCBBCQU-YFKTTZPYSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)N(C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000250491747 188086289 /nfs/dbraw/zinc/08/62/89/188086289.db2.gz HHPAYLYTWCEPQT-RYUDHWBXSA-N 1 3 213.369 1.044 20 0 BDADHO Cc1ncc(CNCC2CC[NH+](C)CC2)cn1 ZINC000356900372 188066012 /nfs/dbraw/zinc/06/60/12/188066012.db2.gz YSVDMMPXFUHSGQ-UHFFFAOYSA-N 1 3 234.347 1.216 20 0 BDADHO Cc1ncc(CNCCC2CC[NH+](C)CC2)cn1 ZINC000356893665 188066462 /nfs/dbraw/zinc/06/64/62/188066462.db2.gz LLAQKOBYMSORPI-UHFFFAOYSA-N 1 3 248.374 1.607 20 0 BDADHO C([NH2+]C[C@@H]1CCCNC1)[C@H]1CCSC1 ZINC000228553605 188081064 /nfs/dbraw/zinc/08/10/64/188081064.db2.gz HMMGFFJMGPRJKK-GHMZBOCLSA-N 1 3 214.378 1.329 20 0 BDADHO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000353562961 188085215 /nfs/dbraw/zinc/08/52/15/188085215.db2.gz CVCSRHHNYLDSAL-RDBSUJKOSA-N 1 3 241.423 1.787 20 0 BDADHO C([C@H]1CC[N@H+](C[C@H]2CCOC2)C1)N1CCCC1 ZINC000336722210 188183079 /nfs/dbraw/zinc/18/30/79/188183079.db2.gz ZTTVDCFPLLNWOU-ZIAGYGMSSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@H]1CC[N@@H+](C[C@H]2CCOC2)C1)N1CCCC1 ZINC000336722210 188183080 /nfs/dbraw/zinc/18/30/80/188183080.db2.gz ZTTVDCFPLLNWOU-ZIAGYGMSSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@H]1CCOC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336722210 188183081 /nfs/dbraw/zinc/18/30/81/188183081.db2.gz ZTTVDCFPLLNWOU-ZIAGYGMSSA-N 1 3 238.375 1.441 20 0 BDADHO COc1ccc(CCN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163174121 188184256 /nfs/dbraw/zinc/18/42/56/188184256.db2.gz UEDQHKLRBLINOO-OCCSQVGLSA-N 1 3 248.370 1.907 20 0 BDADHO C[C@@H]1CCC[N@H+](CCN2CCNCC2)[C@H]1C ZINC000252213288 353299388 /nfs/dbraw/zinc/29/93/88/353299388.db2.gz WYTNEESEYFHTRX-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCN2CCNCC2)[C@H]1C ZINC000252213288 353299390 /nfs/dbraw/zinc/29/93/90/353299390.db2.gz WYTNEESEYFHTRX-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO C(CN1CCN2CCCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694234 353303868 /nfs/dbraw/zinc/30/38/68/353303868.db2.gz YTWZVWYPEHKWGM-KGLIPLIRSA-N 1 3 237.391 1.156 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252981657 353313833 /nfs/dbraw/zinc/31/38/33/353313833.db2.gz SDAYOXYNBIWXAI-GARJFASQSA-N 1 3 214.378 1.599 20 0 BDADHO CC[C@@H](N)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639066943 353380879 /nfs/dbraw/zinc/38/08/79/353380879.db2.gz GKWBXSCARGTSHC-ZYHUDNBSSA-N 1 3 247.342 1.203 20 0 BDADHO Fc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000038040500 180964761 /nfs/dbraw/zinc/96/47/61/180964761.db2.gz LZDOQBSKWYDOJI-UHFFFAOYSA-N 1 3 222.307 1.710 20 0 BDADHO Fc1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000038040500 180964762 /nfs/dbraw/zinc/96/47/62/180964762.db2.gz LZDOQBSKWYDOJI-UHFFFAOYSA-N 1 3 222.307 1.710 20 0 BDADHO CO[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000230312520 353486183 /nfs/dbraw/zinc/48/61/83/353486183.db2.gz ORDVUJSXEXLFQQ-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CC[C@@H]1C ZINC000230312520 353486185 /nfs/dbraw/zinc/48/61/85/353486185.db2.gz ORDVUJSXEXLFQQ-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CC[C@@H]1C ZINC000230312520 353486187 /nfs/dbraw/zinc/48/61/87/353486187.db2.gz ORDVUJSXEXLFQQ-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO CN(CCCn1ccnc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343313948 353624272 /nfs/dbraw/zinc/62/42/72/353624272.db2.gz LALAAIRTIJZEEI-CQSZACIVSA-N 1 3 248.374 1.442 20 0 BDADHO CN(CCCn1ccnc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343313948 353624275 /nfs/dbraw/zinc/62/42/75/353624275.db2.gz LALAAIRTIJZEEI-CQSZACIVSA-N 1 3 248.374 1.442 20 0 BDADHO C1=C(C[NH2+]CCCN2CCCCC2)COCC1 ZINC000178158565 366101966 /nfs/dbraw/zinc/10/19/66/366101966.db2.gz QZWARUOGYJPTHI-UHFFFAOYSA-N 1 3 238.375 1.799 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@]2(C)CC[NH2+]C2)O1 ZINC000398092995 324216469 /nfs/dbraw/zinc/21/64/69/324216469.db2.gz STEAIXBAGZVLQO-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)COCCN1CCCC[C@H]1CC[NH3+] ZINC000232658358 353745646 /nfs/dbraw/zinc/74/56/46/353745646.db2.gz ZDKLBYJSAPFWSX-ZDUSSCGKSA-N 1 3 228.380 1.862 20 0 BDADHO Fc1cncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335251210 181019156 /nfs/dbraw/zinc/01/91/56/181019156.db2.gz BITCFTZYJMATLU-BETUJISGSA-N 1 3 249.333 1.652 20 0 BDADHO C[C@H]1CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000231675925 363347579 /nfs/dbraw/zinc/34/75/79/363347579.db2.gz ZKTZMWRSFBSUQN-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC2CC(F)(F)C2)C1 ZINC000577963760 366148241 /nfs/dbraw/zinc/14/82/41/366148241.db2.gz MZEQJUZZKBTGNR-HTQZYQBOSA-N 1 3 204.264 1.644 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccccc1N(C)C ZINC000346693069 355076162 /nfs/dbraw/zinc/07/61/62/355076162.db2.gz KQZLTPWNUXXVQV-QWHCGFSZSA-N 1 3 247.386 1.922 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CN)C[C@@H]2C)CCO1 ZINC000346695202 355077096 /nfs/dbraw/zinc/07/70/96/355077096.db2.gz YVIYEVUPGKGQCI-REWJHTLYSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](CN)C[C@@H]2C)CCO1 ZINC000346695202 355077097 /nfs/dbraw/zinc/07/70/97/355077097.db2.gz YVIYEVUPGKGQCI-REWJHTLYSA-N 1 3 240.391 1.861 20 0 BDADHO C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2CCCOC2)C1 ZINC000093453300 355367583 /nfs/dbraw/zinc/36/75/83/355367583.db2.gz VLLHPIXBQIXUPB-RFGFWPKPSA-N 1 3 238.375 1.676 20 0 BDADHO Nc1ncc(CN[C@H]2CCCC[C@H]2C[NH3+])s1 ZINC000414810667 191578214 /nfs/dbraw/zinc/57/82/14/191578214.db2.gz VNBLQAXBNVSJET-WPRPVWTQSA-N 1 3 240.376 1.163 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@H](CF)C2)CC[NH2+]1 ZINC000415120674 191683056 /nfs/dbraw/zinc/68/30/56/191683056.db2.gz JAUOZOPUVYZGPF-GRYCIOLGSA-N 1 3 230.327 1.045 20 0 BDADHO CC(C)NCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000582175471 355577802 /nfs/dbraw/zinc/57/78/02/355577802.db2.gz QYIMYGCQNKDNBQ-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO COc1cccc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000216035520 355798905 /nfs/dbraw/zinc/79/89/05/355798905.db2.gz SQDDZDPJYZROHE-AAEUAGOBSA-N 1 3 234.343 1.864 20 0 BDADHO CC(C)(O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261538813 535292432 /nfs/dbraw/zinc/29/24/32/535292432.db2.gz ZKRPKVJKXJTCPT-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000167322874 355991511 /nfs/dbraw/zinc/99/15/11/355991511.db2.gz LHQXKQGUUUQKFD-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000167322874 355991513 /nfs/dbraw/zinc/99/15/13/355991513.db2.gz LHQXKQGUUUQKFD-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H](C)[C@@H]1CC1(F)F ZINC000666444459 491088514 /nfs/dbraw/zinc/08/85/14/491088514.db2.gz GIOJZEOZHRVNET-BBBLOLIVSA-N 1 3 220.307 1.960 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCc1ccncc1 ZINC000420320911 192195401 /nfs/dbraw/zinc/19/54/01/192195401.db2.gz QVROZKZVUKXZBG-JSGCOSHPSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCc1ccncc1 ZINC000420320911 192195403 /nfs/dbraw/zinc/19/54/03/192195403.db2.gz QVROZKZVUKXZBG-JSGCOSHPSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCc1ccncc1 ZINC000420320911 192195405 /nfs/dbraw/zinc/19/54/05/192195405.db2.gz QVROZKZVUKXZBG-JSGCOSHPSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCc1ccncc1 ZINC000420320912 192195689 /nfs/dbraw/zinc/19/56/89/192195689.db2.gz QVROZKZVUKXZBG-OCCSQVGLSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCc1ccncc1 ZINC000420320912 192195691 /nfs/dbraw/zinc/19/56/91/192195691.db2.gz QVROZKZVUKXZBG-OCCSQVGLSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCc1ccncc1 ZINC000420320912 192195693 /nfs/dbraw/zinc/19/56/93/192195693.db2.gz QVROZKZVUKXZBG-OCCSQVGLSA-N 1 3 233.359 1.683 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H](C[NH3+])C1 ZINC000420299776 192206978 /nfs/dbraw/zinc/20/69/78/192206978.db2.gz UKFXFTNPMFTOQU-LLVKDONJSA-N 1 3 228.336 1.000 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1CC[C@H](CN)C1 ZINC000420299776 192206981 /nfs/dbraw/zinc/20/69/81/192206981.db2.gz UKFXFTNPMFTOQU-LLVKDONJSA-N 1 3 228.336 1.000 20 0 BDADHO CCOC(=O)CCCC[N@H+]1CC[C@H](CN)C1 ZINC000420299776 192206985 /nfs/dbraw/zinc/20/69/85/192206985.db2.gz UKFXFTNPMFTOQU-LLVKDONJSA-N 1 3 228.336 1.000 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490309 356307925 /nfs/dbraw/zinc/30/79/25/356307925.db2.gz WOBPZHWSGYPUFD-LBPRGKRZSA-N 1 3 235.331 1.171 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639490309 356307929 /nfs/dbraw/zinc/30/79/29/356307929.db2.gz WOBPZHWSGYPUFD-LBPRGKRZSA-N 1 3 235.331 1.171 20 0 BDADHO Nc1cc(CN2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000420315990 192213204 /nfs/dbraw/zinc/21/32/04/192213204.db2.gz SLOSGRWSZBTSPN-NSHDSACASA-N 1 3 234.347 1.055 20 0 BDADHO CCOC(=O)CCN(CC)[C@H]1CCC[NH2+]CC1 ZINC000420306461 192208769 /nfs/dbraw/zinc/20/87/69/192208769.db2.gz HNJPAEPLQDALHW-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CC(C)C[C@@H]1COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420305237 192209398 /nfs/dbraw/zinc/20/93/98/192209398.db2.gz PEPSHRYMUBDABT-UONOGXRCSA-N 1 3 240.391 1.733 20 0 BDADHO c1cc(CCCN2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000420309735 192211215 /nfs/dbraw/zinc/21/12/15/192211215.db2.gz FILSPTNKWCLTRK-CABCVRRESA-N 1 3 245.370 1.556 20 0 BDADHO COC(=O)CC1(CN[C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000420370936 192228641 /nfs/dbraw/zinc/22/86/41/192228641.db2.gz WFLYPFMKVZCXAH-JTQLQIEISA-N 1 3 242.363 1.293 20 0 BDADHO Cc1ccc(CCN(C)C2CC([NH3+])C2)cc1 ZINC000420326912 192228974 /nfs/dbraw/zinc/22/89/74/192228974.db2.gz FKFLSJFSIDITMB-UHFFFAOYSA-N 1 3 218.344 1.959 20 0 BDADHO C[C@H]1CC[N@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420328384 192228990 /nfs/dbraw/zinc/22/89/90/192228990.db2.gz ZHARNJLTUXVHJO-QEJZJMRPSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@H]1CC[N@@H+](C[C@H](O)[C@@H](N)Cc2ccccc2)C1 ZINC000420328384 192228992 /nfs/dbraw/zinc/22/89/92/192228992.db2.gz ZHARNJLTUXVHJO-QEJZJMRPSA-N 1 3 248.370 1.259 20 0 BDADHO CCCCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420329238 192229127 /nfs/dbraw/zinc/22/91/27/192229127.db2.gz ODEYNLZPZYLDSK-ZDUSSCGKSA-N 1 3 240.391 1.864 20 0 BDADHO CCCCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420329238 192229129 /nfs/dbraw/zinc/22/91/29/192229129.db2.gz ODEYNLZPZYLDSK-ZDUSSCGKSA-N 1 3 240.391 1.864 20 0 BDADHO CCN1C[C@@H](C)N(CCC[NH2+]C)C[C@@H]1C ZINC000420365690 192224155 /nfs/dbraw/zinc/22/41/55/192224155.db2.gz SOXMXINFNNPTTE-NWDGAFQWSA-N 1 3 213.369 1.010 20 0 BDADHO C[NH2+]CCCN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000420394067 192236133 /nfs/dbraw/zinc/23/61/33/192236133.db2.gz CLQOBIGJNOBRGW-AAEUAGOBSA-N 1 3 234.343 1.750 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](C)NC[C@H]1C ZINC000420394435 192237498 /nfs/dbraw/zinc/23/74/98/192237498.db2.gz KOMCDNUYDVKKQO-VXGBXAGGSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](C)NC[C@H]1C ZINC000420394435 192237501 /nfs/dbraw/zinc/23/75/01/192237501.db2.gz KOMCDNUYDVKKQO-VXGBXAGGSA-N 1 3 236.363 1.264 20 0 BDADHO CC(C)OCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420404462 192238716 /nfs/dbraw/zinc/23/87/16/192238716.db2.gz SFFRMXBPRWNUMN-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CCN(CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000420410745 192239226 /nfs/dbraw/zinc/23/92/26/192239226.db2.gz RHVMHCVFDWVIBM-YPMHNXCESA-N 1 3 226.364 1.330 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1NC[C@@H](C)[NH3+] ZINC000420411531 192239889 /nfs/dbraw/zinc/23/98/89/192239889.db2.gz RTOPUFWRLFNPGC-WOPDTQHZSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCCN ZINC000420414065 192241254 /nfs/dbraw/zinc/24/12/54/192241254.db2.gz UGBSTMRXPVBDGZ-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1NCCC[NH3+] ZINC000420414065 192241257 /nfs/dbraw/zinc/24/12/57/192241257.db2.gz UGBSTMRXPVBDGZ-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO COCC[C@H](C)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420375784 192232280 /nfs/dbraw/zinc/23/22/80/192232280.db2.gz UMIDWCYVTHAVHO-WRWGMCAJSA-N 1 3 214.353 1.388 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC(C)(C)O)CC1 ZINC000336165885 134113099 /nfs/dbraw/zinc/11/30/99/134113099.db2.gz GBNINPURPRCWPU-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000336165885 134113100 /nfs/dbraw/zinc/11/31/00/134113100.db2.gz GBNINPURPRCWPU-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CC(C)(C)O)CC1 ZINC000336165885 134113101 /nfs/dbraw/zinc/11/31/01/134113101.db2.gz GBNINPURPRCWPU-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO COCC1(CCN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000578132659 366287354 /nfs/dbraw/zinc/28/73/54/366287354.db2.gz QMGYHQBBHTZSEA-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682642 356593451 /nfs/dbraw/zinc/59/34/51/356593451.db2.gz GNUBABXMHGSCHV-ZDUSSCGKSA-N 1 3 249.358 1.629 20 0 BDADHO COC[C@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682642 356593455 /nfs/dbraw/zinc/59/34/55/356593455.db2.gz GNUBABXMHGSCHV-ZDUSSCGKSA-N 1 3 249.358 1.629 20 0 BDADHO COC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422937543 192511161 /nfs/dbraw/zinc/51/11/61/192511161.db2.gz OFHOFLWDWSTUIJ-NGZCFLSTSA-N 1 3 200.326 1.127 20 0 BDADHO c1cc(N2CCCN([C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000639683711 356600067 /nfs/dbraw/zinc/60/00/67/356600067.db2.gz MMJYXUSUDADSTE-CQSZACIVSA-N 1 3 247.342 1.383 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccccc1 ZINC000032012084 356697069 /nfs/dbraw/zinc/69/70/69/356697069.db2.gz LEKVOQHFGBZXLN-UHFFFAOYSA-N 1 3 208.305 1.094 20 0 BDADHO COC[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130249089 325030264 /nfs/dbraw/zinc/03/02/64/325030264.db2.gz PRJKEOUJVZLPTB-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130249089 325030267 /nfs/dbraw/zinc/03/02/67/325030267.db2.gz PRJKEOUJVZLPTB-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623356428 356792667 /nfs/dbraw/zinc/79/26/67/356792667.db2.gz OQUZPUPUKQLBAR-LBPRGKRZSA-N 1 3 236.363 1.681 20 0 BDADHO CN1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000020128936 356998238 /nfs/dbraw/zinc/99/82/38/356998238.db2.gz GILSAHTTZDDFHJ-UHFFFAOYSA-N 1 3 225.380 1.156 20 0 BDADHO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000582415380 357140528 /nfs/dbraw/zinc/14/05/28/357140528.db2.gz QYLQADXWPTUIMS-VXGBXAGGSA-N 1 3 236.359 1.607 20 0 BDADHO CC(C)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374420305 357160286 /nfs/dbraw/zinc/16/02/86/357160286.db2.gz LECCIDXFUONFQU-MELADBBJSA-N 1 3 240.391 1.826 20 0 BDADHO CC(C)SCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000393658394 357291416 /nfs/dbraw/zinc/29/14/16/357291416.db2.gz OMGOIGOJLQGXFW-QWRGUYRKSA-N 1 3 216.394 1.988 20 0 BDADHO FCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000393929451 357320350 /nfs/dbraw/zinc/32/03/50/357320350.db2.gz GXNRKRFCLSTZBM-UHFFFAOYSA-N 1 3 237.322 2.000 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NCC(C)(C)[NH3+])C1(C)C ZINC000423287789 192680839 /nfs/dbraw/zinc/68/08/39/192680839.db2.gz OOMBPVNZSCXLPL-WDEREUQCSA-N 1 3 228.380 1.905 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CCO[C@H](C)C1 ZINC000582899099 357425017 /nfs/dbraw/zinc/42/50/17/357425017.db2.gz WNQUYIOUYPUUAU-VXGBXAGGSA-N 1 3 214.353 1.532 20 0 BDADHO CC(C)NCCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000582899099 357425020 /nfs/dbraw/zinc/42/50/20/357425020.db2.gz WNQUYIOUYPUUAU-VXGBXAGGSA-N 1 3 214.353 1.532 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396812250 357484970 /nfs/dbraw/zinc/48/49/70/357484970.db2.gz QEZWHRAARKFLLS-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396812250 357484973 /nfs/dbraw/zinc/48/49/73/357484973.db2.gz QEZWHRAARKFLLS-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396812250 357484978 /nfs/dbraw/zinc/48/49/78/357484978.db2.gz QEZWHRAARKFLLS-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO C(C[C@@H]1CCOC1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000230393028 357532894 /nfs/dbraw/zinc/53/28/94/357532894.db2.gz OTAHEXMYSBKCOO-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@@H]1CCOC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393028 357532901 /nfs/dbraw/zinc/53/29/01/357532901.db2.gz OTAHEXMYSBKCOO-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@@H]1CCOC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393028 357532905 /nfs/dbraw/zinc/53/29/05/357532905.db2.gz OTAHEXMYSBKCOO-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@H]1CCOC1)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000230393031 357533521 /nfs/dbraw/zinc/53/35/21/357533521.db2.gz OTAHEXMYSBKCOO-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@H]1CCOC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000230393031 357533523 /nfs/dbraw/zinc/53/35/23/357533523.db2.gz OTAHEXMYSBKCOO-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[C@H]1CCOC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000230393031 357533527 /nfs/dbraw/zinc/53/35/27/357533527.db2.gz OTAHEXMYSBKCOO-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCCNCC1 ZINC000231073465 357597235 /nfs/dbraw/zinc/59/72/35/357597235.db2.gz BYXLUQJZZAWCBR-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(C)[C@@H](CCO)[NH2+][C@H]1CCCNCC1 ZINC000231073463 357597536 /nfs/dbraw/zinc/59/75/36/357597536.db2.gz BYXLUQJZZAWCBR-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]1C[N@H+](CCCN2CCCCC2)CCCO1 ZINC000188996323 357599217 /nfs/dbraw/zinc/59/92/17/357599217.db2.gz JTDJSVCYPPBIND-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@H]1C[N@@H+](CCCN2CCCCC2)CCCO1 ZINC000188996323 357599221 /nfs/dbraw/zinc/59/92/21/357599221.db2.gz JTDJSVCYPPBIND-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCOCCN(C)C)C[C@@H]1C ZINC000231676526 357620023 /nfs/dbraw/zinc/62/00/23/357620023.db2.gz COVYQVZPPVGPAQ-RDBSUJKOSA-N 1 3 242.407 1.979 20 0 BDADHO Cc1c[nH+]ccc1N[C@@H](C)CN1CCN(C)CC1 ZINC000192576729 357844389 /nfs/dbraw/zinc/84/43/89/357844389.db2.gz VAJOPNXPFXZRJP-ZDUSSCGKSA-N 1 3 248.374 1.438 20 0 BDADHO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCN1CCCCC1 ZINC000639939768 357948476 /nfs/dbraw/zinc/94/84/76/357948476.db2.gz KTPCIJGBPHZVSH-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]1C[C@H](O)CC[N@H+]1CCCN1CCCCC1 ZINC000639939768 357948480 /nfs/dbraw/zinc/94/84/80/357948480.db2.gz KTPCIJGBPHZVSH-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222970322 358216643 /nfs/dbraw/zinc/21/66/43/358216643.db2.gz BGKLJHMLLWFNHA-QJPTWQEYSA-N 1 3 241.379 1.151 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222970322 358216645 /nfs/dbraw/zinc/21/66/45/358216645.db2.gz BGKLJHMLLWFNHA-QJPTWQEYSA-N 1 3 241.379 1.151 20 0 BDADHO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)N)cc1 ZINC000040922337 358248442 /nfs/dbraw/zinc/24/84/42/358248442.db2.gz YWOVPVHIFPTSSB-UHFFFAOYSA-N 1 3 235.331 1.424 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000228334617 358374198 /nfs/dbraw/zinc/37/41/98/358374198.db2.gz PQNTXFRNHFLKMN-QWRGUYRKSA-N 1 3 241.379 1.151 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000228334617 358374203 /nfs/dbraw/zinc/37/42/03/358374203.db2.gz PQNTXFRNHFLKMN-QWRGUYRKSA-N 1 3 241.379 1.151 20 0 BDADHO COCCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000044659224 358392444 /nfs/dbraw/zinc/39/24/44/358392444.db2.gz MZWWXDVKJHYOQT-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H]1CCCC[C@H]1[NH2+]CCOCCN(C)C ZINC000219325205 134281368 /nfs/dbraw/zinc/28/13/68/134281368.db2.gz VLCQGQFNKMBRLC-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H](O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000131326188 358671673 /nfs/dbraw/zinc/67/16/73/358671673.db2.gz PPHOWPQNJJQMOL-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H](O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000131326188 358671677 /nfs/dbraw/zinc/67/16/77/358671677.db2.gz PPHOWPQNJJQMOL-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CCOC(=O)CCCCCN1CCC[C@@H]1C[NH3+] ZINC000131859309 358697791 /nfs/dbraw/zinc/69/77/91/358697791.db2.gz SRRWCBVAVNXQBC-GFCCVEGCSA-N 1 3 242.363 1.533 20 0 BDADHO CCOC[C@H](C)NCCC[NH+]1CCCCC1 ZINC000132247363 358714048 /nfs/dbraw/zinc/71/40/48/358714048.db2.gz PKSHNVZJAQNWFH-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000132403744 358722555 /nfs/dbraw/zinc/72/25/55/358722555.db2.gz DLZNKUWRCQXJRF-UMSGYPCISA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000132403744 358722557 /nfs/dbraw/zinc/72/25/57/358722557.db2.gz DLZNKUWRCQXJRF-UMSGYPCISA-N 1 3 226.364 1.626 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000132556928 358727503 /nfs/dbraw/zinc/72/75/03/358727503.db2.gz GPGGIUXHDOHASW-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000054111221 358852974 /nfs/dbraw/zinc/85/29/74/358852974.db2.gz IXZLIABVPNXCAQ-HZSPNIEDSA-N 1 3 241.423 1.645 20 0 BDADHO CSCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248002161 359251456 /nfs/dbraw/zinc/25/14/56/359251456.db2.gz KNHOPYAVEAHOOQ-NWDGAFQWSA-N 1 3 228.405 1.766 20 0 BDADHO CSCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248002161 359251461 /nfs/dbraw/zinc/25/14/61/359251461.db2.gz KNHOPYAVEAHOOQ-NWDGAFQWSA-N 1 3 228.405 1.766 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257310 /nfs/dbraw/zinc/25/73/10/359257310.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257315 /nfs/dbraw/zinc/25/73/15/359257315.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257318 /nfs/dbraw/zinc/25/73/18/359257318.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000248169036 359257323 /nfs/dbraw/zinc/25/73/23/359257323.db2.gz UJLSIAXTIPBZTK-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO CC[C@@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423446691 192773050 /nfs/dbraw/zinc/77/30/50/192773050.db2.gz YVXBOWIOWQNCME-LBELIVKGSA-N 1 3 208.349 1.763 20 0 BDADHO CCN(CC)CCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191154121 359533641 /nfs/dbraw/zinc/53/36/41/359533641.db2.gz DECTWJYGMJTJDV-CHWSQXEVSA-N 1 3 242.407 1.952 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@H](OC)C12CCC2 ZINC000578433831 366566615 /nfs/dbraw/zinc/56/66/15/366566615.db2.gz JJPAHQZOJHAWCE-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](CO)[N@H+](C)CCCN(CC)CC ZINC000451161795 202368564 /nfs/dbraw/zinc/36/85/64/202368564.db2.gz ZYXOYGCRAKQAOH-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO CC[C@H](CO)[N@@H+](C)CCCN(CC)CC ZINC000451161795 202368565 /nfs/dbraw/zinc/36/85/65/202368565.db2.gz ZYXOYGCRAKQAOH-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO COC[C@]1(CN[C@@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617342 366608917 /nfs/dbraw/zinc/60/89/17/366608917.db2.gz DFYSZQYRVKWXSU-UONOGXRCSA-N 1 3 240.391 1.779 20 0 BDADHO C(CN1CCC[C@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000087771419 359926489 /nfs/dbraw/zinc/92/64/89/359926489.db2.gz XYLYITNETPZYED-ZIAGYGMSSA-N 1 3 237.391 1.156 20 0 BDADHO CC[C@@H](NCCC1(COC)CC1)[C@@H]1CCC[NH2+]1 ZINC000578867857 366655331 /nfs/dbraw/zinc/65/53/31/366655331.db2.gz GCDVSBXESUKFRU-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]([NH2+]CCC1(COC)CC1)[C@@H]1CCCN1 ZINC000578867857 366655335 /nfs/dbraw/zinc/65/53/35/366655335.db2.gz GCDVSBXESUKFRU-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO COc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089140519 359992538 /nfs/dbraw/zinc/99/25/38/359992538.db2.gz DBUPZUMLDANGEA-STQMWFEESA-N 1 3 249.358 1.697 20 0 BDADHO COc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147336 359992840 /nfs/dbraw/zinc/99/28/40/359992840.db2.gz OLFGNJKRKJXQKB-OCCSQVGLSA-N 1 3 234.343 1.912 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C)CN)CCO1 ZINC000414884808 200775993 /nfs/dbraw/zinc/77/59/93/200775993.db2.gz WJCNVZZFWVJLJZ-QJPTWQEYSA-N 1 3 214.353 1.376 20 0 BDADHO C1CC2(C1)NCC[C@H]2[NH2+]C1CCSCC1 ZINC000629385886 361033701 /nfs/dbraw/zinc/03/37/01/361033701.db2.gz BIVNVYDFMAFNFY-LLVKDONJSA-N 1 3 226.389 1.756 20 0 BDADHO Cc1ccc(C[NH2+]CC2(N)CCOCC2)cc1C ZINC000629388571 361041056 /nfs/dbraw/zinc/04/10/56/361041056.db2.gz UJCFZNTZRLXAIF-UHFFFAOYSA-N 1 3 248.370 1.901 20 0 BDADHO CCO[C@@H](C[N@@H+]1CCCNCC1)C1CC1 ZINC000629508892 361102691 /nfs/dbraw/zinc/10/26/91/361102691.db2.gz FLZUBAYKULUVIS-LBPRGKRZSA-N 1 3 212.337 1.097 20 0 BDADHO CCO[C@@H](C[N@H+]1CCCNCC1)C1CC1 ZINC000629508892 361102694 /nfs/dbraw/zinc/10/26/94/361102694.db2.gz FLZUBAYKULUVIS-LBPRGKRZSA-N 1 3 212.337 1.097 20 0 BDADHO CCO[C@@H](CN1CCC([NH3+])CC1)C1CC1 ZINC000629510793 361108839 /nfs/dbraw/zinc/10/88/39/361108839.db2.gz UHDCEFSCQJUXSM-LBPRGKRZSA-N 1 3 212.337 1.225 20 0 BDADHO Cc1cccc2c1C[C@H]([NH2+][C@H]1CCC[C@@H]1N)CO2 ZINC000629515935 361110254 /nfs/dbraw/zinc/11/02/54/361110254.db2.gz YOPYWDQCAHZVHD-UBHSHLNASA-N 1 3 246.354 1.768 20 0 BDADHO CCO[C@H](CN1CCC[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000629515947 361110300 /nfs/dbraw/zinc/11/03/00/361110300.db2.gz WQKCURUHOVFGIP-FPMFFAJLSA-N 1 3 240.391 1.861 20 0 BDADHO CCO[C@H](CN(C)CC(C)(C)C[NH3+])C1CC1 ZINC000629512927 361110466 /nfs/dbraw/zinc/11/04/66/361110466.db2.gz JOZYYKUDVFAQFE-GFCCVEGCSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@H](C[N@H+](C)CC(C)(C)CN)C1CC1 ZINC000629512927 361110467 /nfs/dbraw/zinc/11/04/67/361110467.db2.gz JOZYYKUDVFAQFE-GFCCVEGCSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@H](C[N@@H+](C)CC(C)(C)CN)C1CC1 ZINC000629512927 361110468 /nfs/dbraw/zinc/11/04/68/361110468.db2.gz JOZYYKUDVFAQFE-GFCCVEGCSA-N 1 3 228.380 1.718 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCN1CC(F)F ZINC000629520226 361116856 /nfs/dbraw/zinc/11/68/56/361116856.db2.gz UZIYOFAVCNQRQZ-AXFHLTTASA-N 1 3 247.333 1.185 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)C1CCOCC1 ZINC000629526182 361128511 /nfs/dbraw/zinc/12/85/11/361128511.db2.gz MKMXXDORQKJTJV-WCFLWFBJSA-N 1 3 226.364 1.532 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(C)s1 ZINC000629528623 361136138 /nfs/dbraw/zinc/13/61/38/361136138.db2.gz FILYXRFKEUARGW-NSHDSACASA-N 1 3 242.388 1.943 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccccc1F ZINC000629528655 361136158 /nfs/dbraw/zinc/13/61/58/361136158.db2.gz GDODTLTUJGUXPT-LLVKDONJSA-N 1 3 240.322 1.712 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000629528459 361136586 /nfs/dbraw/zinc/13/65/86/361136586.db2.gz ZPIQQDHNXRCKAF-XJFOESAGSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccccc1 ZINC000629529314 361138447 /nfs/dbraw/zinc/13/84/47/361138447.db2.gz ZFKUMFVDBWECAO-LBPRGKRZSA-N 1 3 222.332 1.573 20 0 BDADHO CCc1ccc([C@@H](C)NCCOCC[NH2+]C)o1 ZINC000629529141 361138490 /nfs/dbraw/zinc/13/84/90/361138490.db2.gz SNGOTUHOGCBIKE-LLVKDONJSA-N 1 3 240.347 1.729 20 0 BDADHO CCO[C@H](CN1CC[C@H]2[NH2+]CC[C@H]2C1)C1CC1 ZINC000629532306 361151365 /nfs/dbraw/zinc/15/13/65/361151365.db2.gz UVKKJMIJNWKQRS-BFHYXJOUSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000622045219 370678542 /nfs/dbraw/zinc/67/85/42/370678542.db2.gz HTEDGYFNRIRTRE-DCAQKATOSA-N 1 3 200.326 1.128 20 0 BDADHO CC[NH+]1CCC(CN[C@H](C)c2cn[nH]c2)CC1 ZINC000379722692 361358549 /nfs/dbraw/zinc/35/85/49/361358549.db2.gz JTENMIRZDPYZEZ-LLVKDONJSA-N 1 3 236.363 1.792 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC2=CCCOC2)C1 ZINC000379738565 361381281 /nfs/dbraw/zinc/38/12/81/361381281.db2.gz WILARBMIIIEFTC-NEPJUHHUSA-N 1 3 210.321 1.193 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1cncc(F)c1 ZINC000629534782 361408637 /nfs/dbraw/zinc/40/86/37/361408637.db2.gz BMYIFDDYJCQZQJ-JTQLQIEISA-N 1 3 241.310 1.237 20 0 BDADHO CCO[C@@H](CN[C@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534718 361408786 /nfs/dbraw/zinc/40/87/86/361408786.db2.gz AYTVTPFZCVZAMX-NWDGAFQWSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCOCC1 ZINC000629548990 361435568 /nfs/dbraw/zinc/43/55/68/361435568.db2.gz TXHMITURNDSSDU-JBLDHEPKSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1C[C@@H](CN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000629554351 361441655 /nfs/dbraw/zinc/44/16/55/361441655.db2.gz HYHXPJGKRGDGJE-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO CN(CCN[C@@H]1CCCC[C@H]1C[NH3+])CC(F)F ZINC000629556777 361445184 /nfs/dbraw/zinc/44/51/84/361445184.db2.gz YLXRRIYRHZALLA-WDEREUQCSA-N 1 3 249.349 1.290 20 0 BDADHO CN(CC[NH2+][C@@H]1CCCC[C@H]1CN)CC(F)F ZINC000629556777 361445189 /nfs/dbraw/zinc/44/51/89/361445189.db2.gz YLXRRIYRHZALLA-WDEREUQCSA-N 1 3 249.349 1.290 20 0 BDADHO CC[C@@H](C(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000629610786 361500670 /nfs/dbraw/zinc/50/06/70/361500670.db2.gz IIRGSHUJYMMZMD-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCCN(Cc1ccn(C)c1)C1CC[NH2+]CC1 ZINC000629651915 361557544 /nfs/dbraw/zinc/55/75/44/361557544.db2.gz OOYPMCFWUUWSSG-UHFFFAOYSA-N 1 3 235.375 1.989 20 0 BDADHO CCC[N@H+](Cc1ccn(C)c1)C1CCNCC1 ZINC000629651915 361557545 /nfs/dbraw/zinc/55/75/45/361557545.db2.gz OOYPMCFWUUWSSG-UHFFFAOYSA-N 1 3 235.375 1.989 20 0 BDADHO CCC[N@@H+](Cc1ccn(C)c1)C1CCNCC1 ZINC000629651915 361557547 /nfs/dbraw/zinc/55/75/47/361557547.db2.gz OOYPMCFWUUWSSG-UHFFFAOYSA-N 1 3 235.375 1.989 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccn(C)c1 ZINC000629646815 361535401 /nfs/dbraw/zinc/53/54/01/361535401.db2.gz FKIVJTRKMXXCJF-ZYHUDNBSSA-N 1 3 207.321 1.194 20 0 BDADHO C[C@@H]1C[N@H+](CC2=CCCOC2)C[C@@]1(C)CN ZINC000629648218 361540576 /nfs/dbraw/zinc/54/05/76/361540576.db2.gz IJWMMCUTALDUEG-DGCLKSJQSA-N 1 3 224.348 1.250 20 0 BDADHO C[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@@]1(C)CN ZINC000629648218 361540579 /nfs/dbraw/zinc/54/05/79/361540579.db2.gz IJWMMCUTALDUEG-DGCLKSJQSA-N 1 3 224.348 1.250 20 0 BDADHO C[C@@H]1CN(CC2=CCCOC2)C[C@@]1(C)C[NH3+] ZINC000629648218 361540583 /nfs/dbraw/zinc/54/05/83/361540583.db2.gz IJWMMCUTALDUEG-DGCLKSJQSA-N 1 3 224.348 1.250 20 0 BDADHO C[C@H]1CCN(Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648481 361540860 /nfs/dbraw/zinc/54/08/60/361540860.db2.gz PCWWUCKCESPWID-AAEUAGOBSA-N 1 3 221.348 1.442 20 0 BDADHO C[C@H]1CCN(CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648569 361541340 /nfs/dbraw/zinc/54/13/40/361541340.db2.gz RBHWPXBGKKKSGC-WCQYABFASA-N 1 3 224.348 1.250 20 0 BDADHO [NH3+]Cc1ccc(CNCC2=CCCOC2)cc1 ZINC000629649766 361546916 /nfs/dbraw/zinc/54/69/16/361546916.db2.gz GFKGCKGRQDSGBZ-UHFFFAOYSA-N 1 3 232.327 1.582 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CC3=CCCOC3)C[C@@H]21 ZINC000629646704 361532952 /nfs/dbraw/zinc/53/29/52/361532952.db2.gz CHBGIHXVFWPJEL-MELADBBJSA-N 1 3 236.359 1.392 20 0 BDADHO COCC(C)(C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629662981 361595495 /nfs/dbraw/zinc/59/54/95/361595495.db2.gz FPXUJDBSXXGOSC-OKILXGFUSA-N 1 3 240.391 1.590 20 0 BDADHO C1=C(C[NH2+]C[C@H]2CCCCN2)COCC1 ZINC000379734676 361574204 /nfs/dbraw/zinc/57/42/04/361574204.db2.gz FOQDEMRLYOLPQJ-GFCCVEGCSA-N 1 3 210.321 1.065 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCCC[C@@H]1C ZINC000434671575 201231406 /nfs/dbraw/zinc/23/14/06/201231406.db2.gz IMCNOUKNDVXQMA-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CC[N@H+](CC1CCOCC1)[C@H]1CCCNCC1 ZINC000435396080 201267067 /nfs/dbraw/zinc/26/70/67/201267067.db2.gz WNLHISLRGODYBJ-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](CC1CCOCC1)[C@H]1CCCNCC1 ZINC000435396080 201267070 /nfs/dbraw/zinc/26/70/70/201267070.db2.gz WNLHISLRGODYBJ-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000154558360 201283949 /nfs/dbraw/zinc/28/39/49/201283949.db2.gz ANAPOPCTAAQWFF-PWSUYJOCSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000154558360 201283951 /nfs/dbraw/zinc/28/39/51/201283951.db2.gz ANAPOPCTAAQWFF-PWSUYJOCSA-N 1 3 241.379 1.103 20 0 BDADHO c1c(CNC2CCCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630606516 364329566 /nfs/dbraw/zinc/32/95/66/364329566.db2.gz ZSKCLQMPDDKHCZ-GFCCVEGCSA-N 1 3 249.362 1.062 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000133960969 364380687 /nfs/dbraw/zinc/38/06/87/364380687.db2.gz WOHQUHBXFDHEBR-RYUDHWBXSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000133960969 364380692 /nfs/dbraw/zinc/38/06/92/364380692.db2.gz WOHQUHBXFDHEBR-RYUDHWBXSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CCOC[C@H]2C)C[NH2+]1 ZINC000398994712 364666954 /nfs/dbraw/zinc/66/69/54/364666954.db2.gz NYJFYALVTUUGMT-WISYIIOYSA-N 1 3 212.337 1.142 20 0 BDADHO CN(C[C@H]1CCCC[C@@H]1O)CC(C)(C)C[NH3+] ZINC000328191093 364817074 /nfs/dbraw/zinc/81/70/74/364817074.db2.gz PKWHZRJNKJCTCF-NEPJUHHUSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000328533581 364869105 /nfs/dbraw/zinc/86/91/05/364869105.db2.gz ZCNUTKSFCHQFGP-LPWJVIDDSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000328533581 364869109 /nfs/dbraw/zinc/86/91/09/364869109.db2.gz ZCNUTKSFCHQFGP-LPWJVIDDSA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000573914377 364943981 /nfs/dbraw/zinc/94/39/81/364943981.db2.gz ZUUZRLAKCDFDRH-MGPQQGTHSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)[C@@H](C)O)C1 ZINC000573914377 364943985 /nfs/dbraw/zinc/94/39/85/364943985.db2.gz ZUUZRLAKCDFDRH-MGPQQGTHSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)[C@@H](C)O)C1 ZINC000573914377 364943990 /nfs/dbraw/zinc/94/39/90/364943990.db2.gz ZUUZRLAKCDFDRH-MGPQQGTHSA-N 1 3 242.407 1.713 20 0 BDADHO [NH3+]CCCCNCc1cc(F)ccc1F ZINC000037715302 181377884 /nfs/dbraw/zinc/37/78/84/181377884.db2.gz VIEFEQFHOXFBSL-UHFFFAOYSA-N 1 3 214.259 1.793 20 0 BDADHO CC(C)(CO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250686005 541440260 /nfs/dbraw/zinc/44/02/60/541440260.db2.gz FHJANRABLLOVGM-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)(CO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250686005 541440262 /nfs/dbraw/zinc/44/02/62/541440262.db2.gz FHJANRABLLOVGM-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO [NH3+]CCCN1CCN(CC2CCCCC2)CC1 ZINC000019933693 181381546 /nfs/dbraw/zinc/38/15/46/181381546.db2.gz VATNHWYGKJQPMG-UHFFFAOYSA-N 1 3 239.407 1.533 20 0 BDADHO [NH3+]CCCNCCOCc1ccccc1 ZINC000307126483 181381904 /nfs/dbraw/zinc/38/19/04/181381904.db2.gz BHDDPBNIBNJASA-UHFFFAOYSA-N 1 3 208.305 1.142 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000574440886 365062536 /nfs/dbraw/zinc/06/25/36/365062536.db2.gz PLLZPFDOANPWRD-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+](C)CCCN(C)CCN(C)C ZINC000574845648 365158355 /nfs/dbraw/zinc/15/83/55/365158355.db2.gz HXXFXQRORCVPFG-ZIAGYGMSSA-N 1 3 241.423 1.458 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+](C)CCCN(C)CCN(C)C ZINC000574845648 365158361 /nfs/dbraw/zinc/15/83/61/365158361.db2.gz HXXFXQRORCVPFG-ZIAGYGMSSA-N 1 3 241.423 1.458 20 0 BDADHO CO[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000444603754 193051976 /nfs/dbraw/zinc/05/19/76/193051976.db2.gz WXLLFILZUUAFOL-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO CO[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000444603754 193051977 /nfs/dbraw/zinc/05/19/77/193051977.db2.gz WXLLFILZUUAFOL-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO FCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000379810892 365278090 /nfs/dbraw/zinc/27/80/90/365278090.db2.gz AEXNQBKGJOZKJT-IJLUTSLNSA-N 1 3 214.328 1.856 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC(C)(C)O)C1 ZINC000576149151 365500303 /nfs/dbraw/zinc/50/03/03/365500303.db2.gz LWUHPYNFALRDBW-QWRGUYRKSA-N 1 3 214.353 1.220 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@H](NCC(C)(C)O)C1 ZINC000576149151 365500305 /nfs/dbraw/zinc/50/03/05/365500305.db2.gz LWUHPYNFALRDBW-QWRGUYRKSA-N 1 3 214.353 1.220 20 0 BDADHO C[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ncc[nH]1 ZINC000353603572 541483876 /nfs/dbraw/zinc/48/38/76/541483876.db2.gz GOOBQSPAMKRCKW-LLVKDONJSA-N 1 3 248.374 1.935 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550039 541489010 /nfs/dbraw/zinc/48/90/10/541489010.db2.gz MXMPHEBCPCSQRV-QJPTWQEYSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)O ZINC000157550039 541489012 /nfs/dbraw/zinc/48/90/12/541489012.db2.gz MXMPHEBCPCSQRV-QJPTWQEYSA-N 1 3 226.364 1.362 20 0 BDADHO COCCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702452 367140948 /nfs/dbraw/zinc/14/09/48/367140948.db2.gz ZRNOQLKCFAGNSP-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO COCCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702452 367140952 /nfs/dbraw/zinc/14/09/52/367140952.db2.gz ZRNOQLKCFAGNSP-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO COCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000185702452 367140956 /nfs/dbraw/zinc/14/09/56/367140956.db2.gz ZRNOQLKCFAGNSP-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@]1(C)CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000580897310 367201479 /nfs/dbraw/zinc/20/14/79/367201479.db2.gz KRYSHKHBYINUHI-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@]1(C)CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000580897310 367201483 /nfs/dbraw/zinc/20/14/83/367201483.db2.gz KRYSHKHBYINUHI-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@]1(C)CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000580897310 367201488 /nfs/dbraw/zinc/20/14/88/367201488.db2.gz KRYSHKHBYINUHI-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)cn1 ZINC000581185350 367287413 /nfs/dbraw/zinc/28/74/13/367287413.db2.gz XCKJZDMSOQYMGU-KBPBESRZSA-N 1 3 233.359 1.650 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000581194251 367290469 /nfs/dbraw/zinc/29/04/69/367290469.db2.gz YFRLCPWIBWRMFN-BJDJZHNGSA-N 1 3 241.379 1.101 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)C1 ZINC000581260167 367311443 /nfs/dbraw/zinc/31/14/43/367311443.db2.gz FESPGYYVXVXORF-CHWFTXMASA-N 1 3 200.301 1.737 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)[C@H](C)O1 ZINC000382577970 367543987 /nfs/dbraw/zinc/54/39/87/367543987.db2.gz CLNAGVNMCMLRTP-SCVCMEIPSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCNC2CC2)[C@H](C)O1 ZINC000382577970 367543990 /nfs/dbraw/zinc/54/39/90/367543990.db2.gz CLNAGVNMCMLRTP-SCVCMEIPSA-N 1 3 212.337 1.284 20 0 BDADHO CC(C)OCCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000382818758 367560385 /nfs/dbraw/zinc/56/03/85/367560385.db2.gz VYLQYGJOUNOXLE-CYBMUJFWSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)OCCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000382818758 367560389 /nfs/dbraw/zinc/56/03/89/367560389.db2.gz VYLQYGJOUNOXLE-CYBMUJFWSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)OCCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000382818758 367560391 /nfs/dbraw/zinc/56/03/91/367560391.db2.gz VYLQYGJOUNOXLE-CYBMUJFWSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCOC1 ZINC000399161107 367707890 /nfs/dbraw/zinc/70/78/90/367707890.db2.gz CNOVILWUPCUPKS-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCOC1 ZINC000399161093 367707087 /nfs/dbraw/zinc/70/70/87/367707087.db2.gz CNOVILWUPCUPKS-RHYQMDGZSA-N 1 3 212.337 1.142 20 0 BDADHO CN(C[C@H]1CCC(F)(F)C1)C1CC([NH3+])C1 ZINC000384725882 367722145 /nfs/dbraw/zinc/72/21/45/367722145.db2.gz ACOXJOUKMCBVLQ-IDKOKCKLSA-N 1 3 218.291 1.843 20 0 BDADHO C[C@H](CN[C@@H]1C[C@@H](C)O[C@@H]1C)C[NH+](C)C ZINC000384864984 367745551 /nfs/dbraw/zinc/74/55/51/367745551.db2.gz FCJXJHJRQQVEBL-DDHJBXDOSA-N 1 3 214.353 1.340 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000384928415 367760481 /nfs/dbraw/zinc/76/04/81/367760481.db2.gz SAUCFQCVIQKJKZ-AGIUHOORSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384928415 367760487 /nfs/dbraw/zinc/76/04/87/367760487.db2.gz SAUCFQCVIQKJKZ-AGIUHOORSA-N 1 3 240.391 1.752 20 0 BDADHO CN(CCCOc1ccccc1)C1CC([NH3+])C1 ZINC000384973778 367768694 /nfs/dbraw/zinc/76/86/94/367768694.db2.gz IRCMXKQLYPIUIT-UHFFFAOYSA-N 1 3 234.343 1.877 20 0 BDADHO Cc1cnccc1CN1CCC(C[NH3+])CC1 ZINC000385021977 367773935 /nfs/dbraw/zinc/77/39/35/367773935.db2.gz IIDPLLPTHXJFLM-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO C[C@@H](NCC1(C)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386058223 367904811 /nfs/dbraw/zinc/90/48/11/367904811.db2.gz WUAJEJOPSZPSTA-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CCCCN1 ZINC000386018217 367899157 /nfs/dbraw/zinc/89/91/57/367899157.db2.gz ODGGMAOKXXUTDQ-OLZOCXBDSA-N 1 3 236.363 1.393 20 0 BDADHO C[C@@H](NCCCn1ccnc1)[C@@H]1CCCC[NH2+]1 ZINC000386018217 367899166 /nfs/dbraw/zinc/89/91/66/367899166.db2.gz ODGGMAOKXXUTDQ-OLZOCXBDSA-N 1 3 236.363 1.393 20 0 BDADHO C[C@H](NC[C@@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386504051 367981867 /nfs/dbraw/zinc/98/18/67/367981867.db2.gz WDKOPOCBQHBDJH-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NC[C@@H]1CCC[C@@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386509779 367983572 /nfs/dbraw/zinc/98/35/72/367983572.db2.gz WYYTUBNNADSIGZ-REWJHTLYSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([NH2+]CCCNC1CC1)[C@H]1CCCOC1 ZINC000386936725 368036492 /nfs/dbraw/zinc/03/64/92/368036492.db2.gz PYXCDODTEZEBTM-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@H](C)O ZINC000386879377 368031325 /nfs/dbraw/zinc/03/13/25/368031325.db2.gz LWWIKRALAYXZBE-NZPIUUIZSA-N 1 3 234.343 1.880 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCN2CCCCC2)C1 ZINC000086403685 368880400 /nfs/dbraw/zinc/88/04/00/368880400.db2.gz JBSXVYPGKVWMEN-STQMWFEESA-N 1 3 225.380 1.332 20 0 BDADHO COC(=O)CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404397465 369428170 /nfs/dbraw/zinc/42/81/70/369428170.db2.gz PKUFRTQSBVFXPM-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404397465 369428172 /nfs/dbraw/zinc/42/81/72/369428172.db2.gz PKUFRTQSBVFXPM-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2cncs2)C1 ZINC000459738595 203349034 /nfs/dbraw/zinc/34/90/34/203349034.db2.gz RYNJINHWUGEBSA-NSHDSACASA-N 1 3 239.388 1.965 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2cncs2)C1 ZINC000459738595 203349038 /nfs/dbraw/zinc/34/90/38/203349038.db2.gz RYNJINHWUGEBSA-NSHDSACASA-N 1 3 239.388 1.965 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621372117 370309219 /nfs/dbraw/zinc/30/92/19/370309219.db2.gz PMPRXSGNPJCRQE-KGLIPLIRSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621372117 370309222 /nfs/dbraw/zinc/30/92/22/370309222.db2.gz PMPRXSGNPJCRQE-KGLIPLIRSA-N 1 3 242.407 1.669 20 0 BDADHO COc1ccc(C[NH2+][C@](C)(CN)C2CC2)cn1 ZINC000621775802 370522575 /nfs/dbraw/zinc/52/25/75/370522575.db2.gz ZFJWNHAYPZGZMS-CYBMUJFWSA-N 1 3 235.331 1.307 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000623867089 371133915 /nfs/dbraw/zinc/13/39/15/371133915.db2.gz QQJQFOGHRXIEGW-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCCO2)C1 ZINC000623867089 371133919 /nfs/dbraw/zinc/13/39/19/371133919.db2.gz QQJQFOGHRXIEGW-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCCO2)C1 ZINC000623867089 371133923 /nfs/dbraw/zinc/13/39/23/371133923.db2.gz QQJQFOGHRXIEGW-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCCO1 ZINC000623928212 371156682 /nfs/dbraw/zinc/15/66/82/371156682.db2.gz HYZDGAVUUMICPG-TZMCWYRMSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCCO1 ZINC000623968218 371203563 /nfs/dbraw/zinc/20/35/63/371203563.db2.gz XWKOJMYWFOHJLM-OLZOCXBDSA-N 1 3 244.379 1.112 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C(C)C ZINC000624121031 371321659 /nfs/dbraw/zinc/32/16/59/371321659.db2.gz MCFQJCHQSUYFLK-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H]1OCC[C@@H]1CN1CCC(C)([NH3+])CC1 ZINC000631824447 372588564 /nfs/dbraw/zinc/58/85/64/372588564.db2.gz GUCANGHXRSVJOQ-GHMZBOCLSA-N 1 3 212.337 1.225 20 0 BDADHO Cc1ncsc1CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840332 372636966 /nfs/dbraw/zinc/63/69/66/372636966.db2.gz RMXGIDPUNDRNSU-MWLCHTKSSA-N 1 3 239.388 1.521 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)CC[C@@H]1N ZINC000631824808 372604424 /nfs/dbraw/zinc/60/44/24/372604424.db2.gz QTTPCWQSEHPCJK-RNJOBUHISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)CC[C@@H]1N ZINC000631824808 372604434 /nfs/dbraw/zinc/60/44/34/372604434.db2.gz QTTPCWQSEHPCJK-RNJOBUHISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCO[C@H]2C)CC[C@@H]1[NH3+] ZINC000631824808 372604440 /nfs/dbraw/zinc/60/44/40/372604440.db2.gz QTTPCWQSEHPCJK-RNJOBUHISA-N 1 3 226.364 1.471 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631887268 372681651 /nfs/dbraw/zinc/68/16/51/372681651.db2.gz PQJOQTVNIPVNKE-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000631887268 372681657 /nfs/dbraw/zinc/68/16/57/372681657.db2.gz PQJOQTVNIPVNKE-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369344 206038388 /nfs/dbraw/zinc/03/83/88/206038388.db2.gz BLIXVLYXMKMZPY-GWOFURMSSA-N 1 3 200.326 1.269 20 0 BDADHO OC[C@@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000129247237 183106296 /nfs/dbraw/zinc/10/62/96/183106296.db2.gz VXKZSECDCCJHMP-HUUCEWRRSA-N 1 3 248.370 1.322 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000226407720 169121571 /nfs/dbraw/zinc/12/15/71/169121571.db2.gz CMYCJHVSJLNNTL-NWDGAFQWSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000226407720 169121575 /nfs/dbraw/zinc/12/15/75/169121575.db2.gz CMYCJHVSJLNNTL-NWDGAFQWSA-N 1 3 243.395 1.208 20 0 BDADHO CCCN(CCC[NH3+])C[C@@H]1CCCCO1 ZINC000036230895 169155709 /nfs/dbraw/zinc/15/57/09/169155709.db2.gz SDXKAGMFKKRHPA-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCC[N@H+](CCOC(C)C)C1CCNCC1 ZINC000049260893 169169412 /nfs/dbraw/zinc/16/94/12/169169412.db2.gz OOURTDUWISKWAN-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO CCC[N@@H+](CCOC(C)C)C1CCNCC1 ZINC000049260893 169169413 /nfs/dbraw/zinc/16/94/13/169169413.db2.gz OOURTDUWISKWAN-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO CCCN(CCOC(C)C)C1CC[NH2+]CC1 ZINC000049260893 169169414 /nfs/dbraw/zinc/16/94/14/169169414.db2.gz OOURTDUWISKWAN-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](CC)OC)CC1 ZINC000309397868 169188877 /nfs/dbraw/zinc/18/88/77/169188877.db2.gz UUDZKCDLDVJPOY-ZDUSSCGKSA-N 1 3 228.380 1.875 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000341898834 169190140 /nfs/dbraw/zinc/19/01/40/169190140.db2.gz UQNGRWHXWDTIPQ-JSGCOSHPSA-N 1 3 239.407 1.401 20 0 BDADHO c1c[nH]c([C@@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000336495840 183327435 /nfs/dbraw/zinc/32/74/35/183327435.db2.gz NXTMTGNPGYLGME-CHWSQXEVSA-N 1 3 248.374 1.589 20 0 BDADHO CCCN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000019502743 169203475 /nfs/dbraw/zinc/20/34/75/169203475.db2.gz OHMKGGFOHFZYQD-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000335271346 183345917 /nfs/dbraw/zinc/34/59/17/183345917.db2.gz TWSGOGBHCVVRFV-OKILXGFUSA-N 1 3 231.343 1.513 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000309971153 169206933 /nfs/dbraw/zinc/20/69/33/169206933.db2.gz PNKGSILWNIUGRN-LBPRGKRZSA-N 1 3 226.364 1.344 20 0 BDADHO CCCN[C@@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295171362 169274189 /nfs/dbraw/zinc/27/41/89/169274189.db2.gz GCTSMSRIAJYGCR-NSHDSACASA-N 1 3 249.358 1.733 20 0 BDADHO CCC[C@@H](C)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000310090714 169357535 /nfs/dbraw/zinc/35/75/35/169357535.db2.gz DWXRQGADYNOEMS-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000309998503 169359205 /nfs/dbraw/zinc/35/92/05/169359205.db2.gz DAALAVUGFGAKOI-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037001334 169391432 /nfs/dbraw/zinc/39/14/32/169391432.db2.gz JTMOWPVPXGWPLH-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999118 169390973 /nfs/dbraw/zinc/39/09/73/169390973.db2.gz FVKSRTGKUPTNGI-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CO[C@H](C)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000182063030 134341732 /nfs/dbraw/zinc/34/17/32/134341732.db2.gz IWOGLEGJZJQABP-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331912460 169554284 /nfs/dbraw/zinc/55/42/84/169554284.db2.gz GBDFRPZGBARYSJ-UPJWGTAASA-N 1 3 228.380 1.787 20 0 BDADHO C[C@H]1OCC[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000336420611 383834520 /nfs/dbraw/zinc/83/45/20/383834520.db2.gz WPWOAJWJVJIADI-RISCZKNCSA-N 1 3 238.375 1.770 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)CC)CC1 ZINC000049555453 383955343 /nfs/dbraw/zinc/95/53/43/383955343.db2.gz LMWSKFQXKOEZDG-LBPRGKRZSA-N 1 3 214.353 1.221 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C(C)C ZINC000643546644 384016761 /nfs/dbraw/zinc/01/67/61/384016761.db2.gz SJRPAXLHLZAFPP-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)C(C)C ZINC000643546644 384016766 /nfs/dbraw/zinc/01/67/66/384016766.db2.gz SJRPAXLHLZAFPP-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO CCSCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163141465 384005120 /nfs/dbraw/zinc/00/51/20/384005120.db2.gz JJZAOMFPFCVFCV-ZJUUUORDSA-N 1 3 202.367 1.409 20 0 BDADHO CO[C@@H]1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000643545434 384008297 /nfs/dbraw/zinc/00/82/97/384008297.db2.gz UCILWVBNVLATRL-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO Cn1ccc(CNC2CC[NH+](C)CC2)c1 ZINC000075133479 384038853 /nfs/dbraw/zinc/03/88/53/384038853.db2.gz BKFBNQPXDJAGHQ-UHFFFAOYSA-N 1 3 207.321 1.209 20 0 BDADHO COC1(C[N@@H+]2C[C@H](CN)C[C@@H]2C)CCCC1 ZINC000319230002 384213821 /nfs/dbraw/zinc/21/38/21/384213821.db2.gz VBNXAYLFBAIROM-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2C[C@H](CN)C[C@@H]2C)CCCC1 ZINC000319230002 384213827 /nfs/dbraw/zinc/21/38/27/384213827.db2.gz VBNXAYLFBAIROM-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000227919307 134399325 /nfs/dbraw/zinc/39/93/25/134399325.db2.gz VLVBEXKFOLTPPI-QWHCGFSZSA-N 1 3 242.407 1.892 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1nccs1 ZINC000235484026 384250393 /nfs/dbraw/zinc/25/03/93/384250393.db2.gz TWDBSVVZTXHDOX-MXWKQRLJSA-N 1 3 239.388 1.964 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000235484026 384250398 /nfs/dbraw/zinc/25/03/98/384250398.db2.gz TWDBSVVZTXHDOX-MXWKQRLJSA-N 1 3 239.388 1.964 20 0 BDADHO COC1(C[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)CCCC1 ZINC000319525200 384259222 /nfs/dbraw/zinc/25/92/22/384259222.db2.gz ZMAQXUGLGQBFNS-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO COC1(C[N@H+]2C[C@@H](C)[C@](C)(CN)C2)CCCC1 ZINC000319525200 384259225 /nfs/dbraw/zinc/25/92/25/384259225.db2.gz ZMAQXUGLGQBFNS-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000168745495 384306492 /nfs/dbraw/zinc/30/64/92/384306492.db2.gz MAACSOSLJVWSMA-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000168745495 384306502 /nfs/dbraw/zinc/30/65/02/384306502.db2.gz MAACSOSLJVWSMA-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](CCCOC)C1 ZINC000174219500 384307762 /nfs/dbraw/zinc/30/77/62/384307762.db2.gz NIFMGLIZMHVNQO-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](CCCOC)C1 ZINC000174219500 384307770 /nfs/dbraw/zinc/30/77/70/384307770.db2.gz NIFMGLIZMHVNQO-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOCC(F)(F)F ZINC000405479349 384370226 /nfs/dbraw/zinc/37/02/26/384370226.db2.gz MTCHZHMVAIYMKW-SFYZADRCSA-N 1 3 240.269 1.281 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000405479349 384370231 /nfs/dbraw/zinc/37/02/31/384370231.db2.gz MTCHZHMVAIYMKW-SFYZADRCSA-N 1 3 240.269 1.281 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CCCSC2)CC1 ZINC000335600506 384370926 /nfs/dbraw/zinc/37/09/26/384370926.db2.gz DDKVNDVSAZEPKF-LBPRGKRZSA-N 1 3 226.389 1.734 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000096033401 384424627 /nfs/dbraw/zinc/42/46/27/384424627.db2.gz SXUCXWPDDGONGB-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H]1OCC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000096033412 384425060 /nfs/dbraw/zinc/42/50/60/384425060.db2.gz QXZOUSARSUBJQP-WDEREUQCSA-N 1 3 214.353 1.341 20 0 BDADHO CSCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000084222159 384377577 /nfs/dbraw/zinc/37/75/77/384377577.db2.gz LCQVAGOWDGZYGU-UWVGGRQHSA-N 1 3 202.367 1.457 20 0 BDADHO CCOCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000084217915 384378341 /nfs/dbraw/zinc/37/83/41/384378341.db2.gz KOJDKZMTTXSZKC-MNOVXSKESA-N 1 3 200.326 1.130 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000648180350 384461568 /nfs/dbraw/zinc/46/15/68/384461568.db2.gz YWIPZXISXSQRHO-AWEZNQCLSA-N 1 3 247.342 1.534 20 0 BDADHO NC[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609900 384478416 /nfs/dbraw/zinc/47/84/16/384478416.db2.gz ALGJTEJIFNXTPV-MNOVXSKESA-N 1 3 214.378 1.410 20 0 BDADHO NC[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609900 384478419 /nfs/dbraw/zinc/47/84/19/384478419.db2.gz ALGJTEJIFNXTPV-MNOVXSKESA-N 1 3 214.378 1.410 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000224609900 384478422 /nfs/dbraw/zinc/47/84/22/384478422.db2.gz ALGJTEJIFNXTPV-MNOVXSKESA-N 1 3 214.378 1.410 20 0 BDADHO C[C@H](CO)NC1CC[NH+](C2CCCCC2)CC1 ZINC000151172128 384551954 /nfs/dbraw/zinc/55/19/54/384551954.db2.gz DDCOLLYEAURDQP-GFCCVEGCSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@H](CO)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000151172128 384551963 /nfs/dbraw/zinc/55/19/63/384551963.db2.gz DDCOLLYEAURDQP-GFCCVEGCSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CCO1 ZINC000309809389 384637038 /nfs/dbraw/zinc/63/70/38/384637038.db2.gz TVRMEVCSVAESAC-DGCLKSJQSA-N 1 3 224.348 1.405 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403766 384646683 /nfs/dbraw/zinc/64/66/83/384646683.db2.gz UVQUYAJAHVVLPX-GARJFASQSA-N 1 3 200.326 1.271 20 0 BDADHO CCCCOCCN1CCC[C@@H](C[NH3+])C1 ZINC000049262557 384677015 /nfs/dbraw/zinc/67/70/15/384677015.db2.gz CNNOVNFCSBQOGR-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO FC1(F)CCCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000259007127 384736611 /nfs/dbraw/zinc/73/66/11/384736611.db2.gz XJJDGWDWBVESQN-SNVBAGLBSA-N 1 3 218.291 1.717 20 0 BDADHO FC1CCC(C[NH2+][C@@H]2CCNC2)CC1 ZINC000647553332 384767390 /nfs/dbraw/zinc/76/73/90/384767390.db2.gz SVUFWANMXJNDDB-VQXHTEKXSA-N 1 3 200.301 1.466 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cnccc1N ZINC000423358592 384833481 /nfs/dbraw/zinc/83/34/81/384833481.db2.gz BWUNWJBSYKKCDH-AXFHLTTASA-N 1 3 234.347 1.415 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581141699 384793354 /nfs/dbraw/zinc/79/33/54/384793354.db2.gz AADXZFJTRMKATR-RFQIPJPRSA-N 1 3 240.391 1.645 20 0 BDADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372218 384836320 /nfs/dbraw/zinc/83/63/20/384836320.db2.gz GXFAWKORQFTFES-AVGNSLFASA-N 1 3 236.363 1.731 20 0 BDADHO CCSCC[NH2+]CC1=CCN(C)CC1 ZINC000308630333 384878698 /nfs/dbraw/zinc/87/86/98/384878698.db2.gz YPSWMULYNGKKNT-UHFFFAOYSA-N 1 3 214.378 1.591 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339754709 384881169 /nfs/dbraw/zinc/88/11/69/384881169.db2.gz UYMZUKKINSODCI-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000339754709 384881171 /nfs/dbraw/zinc/88/11/71/384881171.db2.gz UYMZUKKINSODCI-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO COC[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000234800732 384844851 /nfs/dbraw/zinc/84/48/51/384844851.db2.gz XGIVGZHYCHZQTP-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000423426491 384867629 /nfs/dbraw/zinc/86/76/29/384867629.db2.gz PLCSZLPLDHBSOJ-IJLUTSLNSA-N 1 3 236.363 1.825 20 0 BDADHO C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000423426494 384868957 /nfs/dbraw/zinc/86/89/57/384868957.db2.gz PLCSZLPLDHBSOJ-SRVKXCTJSA-N 1 3 236.363 1.825 20 0 BDADHO Cc1ccc(CN2CCC([C@H](C)[NH3+])CC2)nc1 ZINC000156598918 384905960 /nfs/dbraw/zinc/90/59/60/384905960.db2.gz CQEHYKVNGBAHPE-LBPRGKRZSA-N 1 3 233.359 1.949 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@H](C)O)CN1CCCCC1 ZINC000564843553 384959036 /nfs/dbraw/zinc/95/90/36/384959036.db2.gz AOZYGAPPPHXJTD-AGIUHOORSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000167651723 384914608 /nfs/dbraw/zinc/91/46/08/384914608.db2.gz DGHGXRJPSCUGGR-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H](C)O)C[NH+]1CCCCC1 ZINC000564843553 384959039 /nfs/dbraw/zinc/95/90/39/384959039.db2.gz AOZYGAPPPHXJTD-AGIUHOORSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336145832 384923080 /nfs/dbraw/zinc/92/30/80/384923080.db2.gz NKWMORNLNRXPAB-OCCSQVGLSA-N 1 3 237.391 1.178 20 0 BDADHO COc1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000258840981 384947560 /nfs/dbraw/zinc/94/75/60/384947560.db2.gz WFIZRMBGARVVAI-JTQLQIEISA-N 1 3 208.305 1.380 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](C)O)C1 ZINC000644603624 384996660 /nfs/dbraw/zinc/99/66/60/384996660.db2.gz HIKOODPGHKDNSQ-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](C)O)C1 ZINC000644603624 384996667 /nfs/dbraw/zinc/99/66/67/384996667.db2.gz HIKOODPGHKDNSQ-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644603624 384996670 /nfs/dbraw/zinc/99/66/70/384996670.db2.gz HIKOODPGHKDNSQ-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OC ZINC000310419283 385051131 /nfs/dbraw/zinc/05/11/31/385051131.db2.gz NXGFSTFYWAASPE-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccco1 ZINC000150986078 385075458 /nfs/dbraw/zinc/07/54/58/385075458.db2.gz DPFPETGEBFPXLI-ZDUSSCGKSA-N 1 3 240.347 1.726 20 0 BDADHO C[C@H](NCC1CC[NH2+]CC1)c1ccco1 ZINC000086700503 385038898 /nfs/dbraw/zinc/03/88/98/385038898.db2.gz QMSHOABGYBFYSW-JTQLQIEISA-N 1 3 208.305 1.930 20 0 BDADHO CO[C@@](C)(C[NH2+]CCCN1CCCC1)C1CC1 ZINC000310531841 385108092 /nfs/dbraw/zinc/10/80/92/385108092.db2.gz ODYOZHKNTOHHOJ-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@](C)(CNCCC[NH+]1CCCC1)C1CC1 ZINC000310531841 385108100 /nfs/dbraw/zinc/10/81/00/385108100.db2.gz ODYOZHKNTOHHOJ-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1ccc(O)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227451876 385139874 /nfs/dbraw/zinc/13/98/74/385139874.db2.gz YOQVYSIBRKWZDV-NWDGAFQWSA-N 1 3 249.358 1.655 20 0 BDADHO CNCc1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000566240063 385087665 /nfs/dbraw/zinc/08/76/65/385087665.db2.gz HITJSBGDRRBYHB-UHFFFAOYSA-N 1 3 247.342 1.344 20 0 BDADHO FC1(CN2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000568883150 385098696 /nfs/dbraw/zinc/09/86/96/385098696.db2.gz RRMXAVDYSFQYSV-LBPRGKRZSA-N 1 3 226.339 1.810 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN[C@H]1COCC1(C)C ZINC000313026672 385195697 /nfs/dbraw/zinc/19/56/97/385195697.db2.gz IGENAJSBJGGYRY-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN[C@H]1COCC1(C)C ZINC000313026672 385195698 /nfs/dbraw/zinc/19/56/98/385195698.db2.gz IGENAJSBJGGYRY-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)COC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313014950 385147451 /nfs/dbraw/zinc/14/74/51/385147451.db2.gz WZUUOYDAZPPBIS-XQQFMLRXSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)COC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313014950 385147456 /nfs/dbraw/zinc/14/74/56/385147456.db2.gz WZUUOYDAZPPBIS-XQQFMLRXSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)COC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313014946 385148108 /nfs/dbraw/zinc/14/81/08/385148108.db2.gz WZUUOYDAZPPBIS-AVGNSLFASA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)COC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313014946 385148114 /nfs/dbraw/zinc/14/81/14/385148114.db2.gz WZUUOYDAZPPBIS-AVGNSLFASA-N 1 3 238.375 1.628 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000037621157 385233002 /nfs/dbraw/zinc/23/30/02/385233002.db2.gz PLYKVONIPKOUGF-CYBMUJFWSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)CCOCCN1CC[C@@H](C[NH3+])C1 ZINC000045107893 385246887 /nfs/dbraw/zinc/24/68/87/385246887.db2.gz DDDFNYSWDSWCIQ-LBPRGKRZSA-N 1 3 214.353 1.330 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)C1CCOCC1 ZINC000178414948 385250798 /nfs/dbraw/zinc/25/07/98/385250798.db2.gz BLWAEIPAXDRRAJ-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](CN)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000308991708 385336482 /nfs/dbraw/zinc/33/64/82/385336482.db2.gz OCZJKDAUXUDCDH-VXGBXAGGSA-N 1 3 206.333 1.975 20 0 BDADHO C[C@H](C[NH2+]C[C@@H]1CCCOC1)CN1CCCC1 ZINC000111320512 385501257 /nfs/dbraw/zinc/50/12/57/385501257.db2.gz UIINNTMWFSNSFA-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CNCc1cccc(NC(=O)CCC(C)(C)[NH3+])c1 ZINC000647669569 385537937 /nfs/dbraw/zinc/53/79/37/385537937.db2.gz XMBDQPFZUJKBJK-UHFFFAOYSA-N 1 3 249.358 1.862 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@](C)(CC)OC)C1 ZINC000319097773 385543291 /nfs/dbraw/zinc/54/32/91/385543291.db2.gz WAQQDGXQDHINTG-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@@H+]1CC[C@H](CNC[C@](C)(CC)OC)C1 ZINC000319097773 385543294 /nfs/dbraw/zinc/54/32/94/385543294.db2.gz WAQQDGXQDHINTG-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@H+]1CC[C@H](CNC[C@](C)(CC)OC)C1 ZINC000319097773 385543299 /nfs/dbraw/zinc/54/32/99/385543299.db2.gz WAQQDGXQDHINTG-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO c1ccc([C@@H]2C[C@H]2CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000643366997 385655012 /nfs/dbraw/zinc/65/50/12/385655012.db2.gz SNWZRFUMKOMUEL-JJXSEGSLSA-N 1 3 242.366 1.941 20 0 BDADHO CNCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414859135 385741281 /nfs/dbraw/zinc/74/12/81/385741281.db2.gz MDOOUABWQZYBGD-UHFFFAOYSA-N 1 3 247.386 1.855 20 0 BDADHO C[NH2+]CCCNC1CCN(c2ccccc2)CC1 ZINC000414859135 385741283 /nfs/dbraw/zinc/74/12/83/385741283.db2.gz MDOOUABWQZYBGD-UHFFFAOYSA-N 1 3 247.386 1.855 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414860715 385743608 /nfs/dbraw/zinc/74/36/08/385743608.db2.gz QIYZDKXSDGUWNR-UTUOFQBUSA-N 1 3 224.348 1.143 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414860715 385743610 /nfs/dbraw/zinc/74/36/10/385743610.db2.gz QIYZDKXSDGUWNR-UTUOFQBUSA-N 1 3 224.348 1.143 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000309615184 385744169 /nfs/dbraw/zinc/74/41/69/385744169.db2.gz COVPQOMSAMBRLE-CYBMUJFWSA-N 1 3 224.348 1.407 20 0 BDADHO C[NH2+]CCCNCCCc1ccc(C)nc1 ZINC000414857283 385727368 /nfs/dbraw/zinc/72/73/68/385727368.db2.gz CLOLNYMPPOVQBY-UHFFFAOYSA-N 1 3 221.348 1.522 20 0 BDADHO CNCCC[NH2+]CCCc1ccc(C)nc1 ZINC000414857283 385727374 /nfs/dbraw/zinc/72/73/74/385727374.db2.gz CLOLNYMPPOVQBY-UHFFFAOYSA-N 1 3 221.348 1.522 20 0 BDADHO COC[C@@]1(CNC2CCC(C)CC2)CCC[NH2+]1 ZINC000414948013 385806240 /nfs/dbraw/zinc/80/62/40/385806240.db2.gz WJFJABANWXLLRQ-RUXDESIVSA-N 1 3 240.391 1.923 20 0 BDADHO CCOCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397307855 385817182 /nfs/dbraw/zinc/81/71/82/385817182.db2.gz HTLFHJKDZMOTFV-TUAOUCFPSA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]C[C@H](C)CN ZINC000414869217 385836477 /nfs/dbraw/zinc/83/64/77/385836477.db2.gz AIOCOPPCTLABLQ-GHMZBOCLSA-N 1 3 202.342 1.232 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCN[C@@H](C)C2)CCO1 ZINC000414954328 385837029 /nfs/dbraw/zinc/83/70/29/385837029.db2.gz SOCSITFHXMAWHB-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](NCC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271911264 385858797 /nfs/dbraw/zinc/85/87/97/385858797.db2.gz XXSVWNBYWHEOBS-CQSZACIVSA-N 1 3 248.374 1.723 20 0 BDADHO CC[C@@H](NCC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271911264 385858801 /nfs/dbraw/zinc/85/88/01/385858801.db2.gz XXSVWNBYWHEOBS-CQSZACIVSA-N 1 3 248.374 1.723 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](C)CN)n1 ZINC000414874197 385884262 /nfs/dbraw/zinc/88/42/62/385884262.db2.gz IMUCDMZQNZVDHO-WDEREUQCSA-N 1 3 237.347 1.206 20 0 BDADHO COc1cccc(C[C@@H](C)NC[C@@H](C)C[NH3+])n1 ZINC000414874197 385884263 /nfs/dbraw/zinc/88/42/63/385884263.db2.gz IMUCDMZQNZVDHO-WDEREUQCSA-N 1 3 237.347 1.206 20 0 BDADHO CC[NH2+][C@H](C)CNC[C@@H]1CCO[C@@H](CC)C1 ZINC000414962916 385889704 /nfs/dbraw/zinc/88/97/04/385889704.db2.gz SXXKKZDUAZQFNG-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CN(CCC[NH3+])CCCc1ccsc1 ZINC000647847369 385896309 /nfs/dbraw/zinc/89/63/09/385896309.db2.gz MCABSURHYVZNPP-UHFFFAOYSA-N 1 3 212.362 1.961 20 0 BDADHO C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1CCCN1 ZINC000335033081 385921815 /nfs/dbraw/zinc/92/18/15/385921815.db2.gz OMBRXTSFGUODGO-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO CC[NH2+][C@H](C)CNC[C@@H]1CCSC1 ZINC000414959103 385872331 /nfs/dbraw/zinc/87/23/31/385872331.db2.gz PMTJBIZWGSPMGR-ZJUUUORDSA-N 1 3 202.367 1.327 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)CN)CC2 ZINC000414873679 385877637 /nfs/dbraw/zinc/87/76/37/385877637.db2.gz HSPSCQZOVMTXCT-RISCZKNCSA-N 1 3 248.370 1.737 20 0 BDADHO C([NH2+]C1CCSCC1)[C@@H]1CCCNC1 ZINC000220692229 385975399 /nfs/dbraw/zinc/97/53/99/385975399.db2.gz WSKZZDWTJGCAFX-SNVBAGLBSA-N 1 3 214.378 1.471 20 0 BDADHO COc1cc(C[NH2+]C[C@H](N)C2CC2)ccc1C ZINC000414881308 385994705 /nfs/dbraw/zinc/99/47/05/385994705.db2.gz AEUBABNNYZPEJU-ZDUSSCGKSA-N 1 3 234.343 1.831 20 0 BDADHO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335020800 385979943 /nfs/dbraw/zinc/97/99/43/385979943.db2.gz AZQFVKZGOLJJHJ-RYUDHWBXSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@H]1CCCC[C@@H]1NC1CC[NH2+]CC1 ZINC000335020800 385979946 /nfs/dbraw/zinc/97/99/46/385979946.db2.gz AZQFVKZGOLJJHJ-RYUDHWBXSA-N 1 3 212.337 1.286 20 0 BDADHO C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000414881386 385990553 /nfs/dbraw/zinc/99/05/53/385990553.db2.gz KYOBMOLBSDIICD-RWMBFGLXSA-N 1 3 208.349 1.907 20 0 BDADHO CCN(CC)CCC[N@H+](CCO)CC1CC1 ZINC000338238671 385932730 /nfs/dbraw/zinc/93/27/30/385932730.db2.gz VHFYMSNANMHGQO-UHFFFAOYSA-N 1 3 228.380 1.423 20 0 BDADHO CCN(CC)CCC[N@@H+](CCO)CC1CC1 ZINC000338238671 385932735 /nfs/dbraw/zinc/93/27/35/385932735.db2.gz VHFYMSNANMHGQO-UHFFFAOYSA-N 1 3 228.380 1.423 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC1Cc2ccccc2C1 ZINC000335042534 385935254 /nfs/dbraw/zinc/93/52/54/385935254.db2.gz SOYBJNUSFODWKF-KGLIPLIRSA-N 1 3 216.328 1.623 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NC1Cc2ccccc2C1 ZINC000335042535 385935652 /nfs/dbraw/zinc/93/56/52/385935652.db2.gz SOYBJNUSFODWKF-UONOGXRCSA-N 1 3 216.328 1.623 20 0 BDADHO CC[NH+](CC)CCCN1C[C@H](C)N(C)C[C@@H]1C ZINC000338287802 385942123 /nfs/dbraw/zinc/94/21/23/385942123.db2.gz WBNAFGNUDADJCC-KBPBESRZSA-N 1 3 241.423 1.743 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCCCCC1 ZINC000335058783 385960687 /nfs/dbraw/zinc/96/06/87/385960687.db2.gz KGITZXKPMRLODA-OLZOCXBDSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000335058783 385960694 /nfs/dbraw/zinc/96/06/94/385960694.db2.gz KGITZXKPMRLODA-OLZOCXBDSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCC12CCCC2)C1CNC1 ZINC000335012239 385969754 /nfs/dbraw/zinc/96/97/54/385969754.db2.gz XHBUYVLCQBEANY-ZYHUDNBSSA-N 1 3 208.349 1.907 20 0 BDADHO CN1CCC(O)(C[NH2+]Cc2cccs2)CC1 ZINC000265897401 386007240 /nfs/dbraw/zinc/00/72/40/386007240.db2.gz SYSNFLLNRNUJTI-UHFFFAOYSA-N 1 3 240.372 1.294 20 0 BDADHO [NH3+][C@@H](CNC1Cc2ccccc2C1)C1CC1 ZINC000414889170 386110281 /nfs/dbraw/zinc/11/02/81/386110281.db2.gz KXXPQGNTYYXPJK-AWEZNQCLSA-N 1 3 216.328 1.481 20 0 BDADHO CCCC[N@H+](CCO)C[C@@H](N)CC(C)C ZINC000414663593 386110555 /nfs/dbraw/zinc/11/05/55/386110555.db2.gz BNBRMQVEKPRLTE-LBPRGKRZSA-N 1 3 216.369 1.454 20 0 BDADHO CCCC[N@@H+](CCO)C[C@@H](N)CC(C)C ZINC000414663593 386110560 /nfs/dbraw/zinc/11/05/60/386110560.db2.gz BNBRMQVEKPRLTE-LBPRGKRZSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[N@H+](CCO)C[C@@H](N)CC(C)C ZINC000414679966 386161782 /nfs/dbraw/zinc/16/17/82/386161782.db2.gz MMRFJUPGTOKWSA-NSHDSACASA-N 1 3 202.342 1.064 20 0 BDADHO CCC[N@@H+](CCO)C[C@@H](N)CC(C)C ZINC000414679966 386161785 /nfs/dbraw/zinc/16/17/85/386161785.db2.gz MMRFJUPGTOKWSA-NSHDSACASA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](CCO)C(C)C ZINC000414684176 386167456 /nfs/dbraw/zinc/16/74/56/386167456.db2.gz UXLPHXRTUJNIFD-NSHDSACASA-N 1 3 202.342 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](CCO)C(C)C ZINC000414684176 386167459 /nfs/dbraw/zinc/16/74/59/386167459.db2.gz UXLPHXRTUJNIFD-NSHDSACASA-N 1 3 202.342 1.063 20 0 BDADHO CCN(CCC[NH+](C)C)C(=O)CN(C)C(C)C ZINC000338894372 386169290 /nfs/dbraw/zinc/16/92/90/386169290.db2.gz GZPLBTSDSIDCJM-UHFFFAOYSA-N 1 3 243.395 1.127 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H]1CCc2ccccc2C1 ZINC000414988493 386133366 /nfs/dbraw/zinc/13/33/66/386133366.db2.gz LZDUIUONXQVHBS-ZIAGYGMSSA-N 1 3 218.344 1.871 20 0 BDADHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN)C1(C)C ZINC000414697221 386201311 /nfs/dbraw/zinc/20/13/11/386201311.db2.gz IGYCNKWIUHCCRJ-MNOVXSKESA-N 1 3 214.353 1.471 20 0 BDADHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN)C1(C)C ZINC000414697221 386201316 /nfs/dbraw/zinc/20/13/16/386201316.db2.gz IGYCNKWIUHCCRJ-MNOVXSKESA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)COC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647881204 386207363 /nfs/dbraw/zinc/20/73/63/386207363.db2.gz SAWNAYUJLAODNZ-ZDUSSCGKSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000414700802 386208598 /nfs/dbraw/zinc/20/85/98/386208598.db2.gz GJANSCYUBCIPKF-VXGBXAGGSA-N 1 3 230.396 1.699 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000414700802 386208601 /nfs/dbraw/zinc/20/86/01/386208601.db2.gz GJANSCYUBCIPKF-VXGBXAGGSA-N 1 3 230.396 1.699 20 0 BDADHO COC(=O)CCC(C)(C)[NH2+]CCNC(C)(C)C ZINC000414703651 386214191 /nfs/dbraw/zinc/21/41/91/386214191.db2.gz CQPFDMOJEXKQAT-UHFFFAOYSA-N 1 3 244.379 1.696 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916481 386227851 /nfs/dbraw/zinc/22/78/51/386227851.db2.gz NJNJLDKYGPFIOA-ZLKJLUDKSA-N 1 3 232.327 1.900 20 0 BDADHO CCC[C@@](C)(CO)NC[C@H]([NH3+])CC(C)C ZINC000414713200 386229650 /nfs/dbraw/zinc/22/96/50/386229650.db2.gz TYFVYYPLPMWDJU-NEPJUHHUSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@@H](Cn1cccn1)NCC[C@H]1CCC[NH2+]1 ZINC000414898509 386230117 /nfs/dbraw/zinc/23/01/17/386230117.db2.gz APGKAQWAUXMHBL-NWDGAFQWSA-N 1 3 222.336 1.003 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)C[C@H]1C(C)C ZINC000414712227 386230273 /nfs/dbraw/zinc/23/02/73/386230273.db2.gz NLWURXDSBDBKEV-KBPBESRZSA-N 1 3 241.423 1.632 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415005173 386298158 /nfs/dbraw/zinc/29/81/58/386298158.db2.gz ISGCDIBWIVWTAS-MNOVXSKESA-N 1 3 245.330 1.093 20 0 BDADHO CCCN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000647884433 386264303 /nfs/dbraw/zinc/26/43/03/386264303.db2.gz PQXVNODSLGJZMR-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336682206 386339991 /nfs/dbraw/zinc/33/99/91/386339991.db2.gz CZXNOYAFBGSPQK-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336682206 386339996 /nfs/dbraw/zinc/33/99/96/386339996.db2.gz CZXNOYAFBGSPQK-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336682206 386340000 /nfs/dbraw/zinc/34/00/00/386340000.db2.gz CZXNOYAFBGSPQK-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CC[NH+](CC)C[C@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336682204 386341360 /nfs/dbraw/zinc/34/13/60/386341360.db2.gz CZXNOYAFBGSPQK-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336682204 386341362 /nfs/dbraw/zinc/34/13/62/386341362.db2.gz CZXNOYAFBGSPQK-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336682204 386341363 /nfs/dbraw/zinc/34/13/63/386341363.db2.gz CZXNOYAFBGSPQK-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1C[C@H](C)N(C)C[C@@H]1C ZINC000414746734 386346445 /nfs/dbraw/zinc/34/64/45/386346445.db2.gz SSJHIXSXTIUNTE-AVGNSLFASA-N 1 3 227.396 1.384 20 0 BDADHO [NH3+]CCCN1CC[C@H](n2ncc3ccccc32)C1 ZINC000414747051 386349201 /nfs/dbraw/zinc/34/92/01/386349201.db2.gz RNSAIYCBXLTFNX-ZDUSSCGKSA-N 1 3 244.342 1.632 20 0 BDADHO CC[N@H+](CCCO)C[C@H](N)CC(C)C ZINC000414748954 386364738 /nfs/dbraw/zinc/36/47/38/386364738.db2.gz VLWYFAUFNMCYFA-LLVKDONJSA-N 1 3 202.342 1.064 20 0 BDADHO CC[N@@H+](CCCO)C[C@H](N)CC(C)C ZINC000414748954 386364743 /nfs/dbraw/zinc/36/47/43/386364743.db2.gz VLWYFAUFNMCYFA-LLVKDONJSA-N 1 3 202.342 1.064 20 0 BDADHO C[C@H](CC1CCOCC1)NCC[C@H]1CCC[NH2+]1 ZINC000414906107 386371259 /nfs/dbraw/zinc/37/12/59/386371259.db2.gz OTLCHEFQHFNZTK-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236977348 386333848 /nfs/dbraw/zinc/33/38/48/386333848.db2.gz QGVUFAYQTURSRV-MFKMUULPSA-N 1 3 249.358 1.718 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC2(C)COC2)C1 ZINC000336700888 386402215 /nfs/dbraw/zinc/40/22/15/386402215.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC2(C)COC2)C1 ZINC000336700888 386402217 /nfs/dbraw/zinc/40/22/17/386402217.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336700888 386402220 /nfs/dbraw/zinc/40/22/20/386402220.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336700888 386402223 /nfs/dbraw/zinc/40/22/23/386402223.db2.gz LNVYGBAHTBVYRS-LBPRGKRZSA-N 1 3 226.364 1.297 20 0 BDADHO Cc1ccc(CCCN2CC[C@@H](C[NH3+])C2)cn1 ZINC000339409594 386416010 /nfs/dbraw/zinc/41/60/10/386416010.db2.gz HNPALYLRAXKCSY-AWEZNQCLSA-N 1 3 233.359 1.603 20 0 BDADHO NC(=O)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000414909729 386416781 /nfs/dbraw/zinc/41/67/81/386416781.db2.gz CJHGSWGZPZDECA-CHWSQXEVSA-N 1 3 247.342 1.145 20 0 BDADHO CC(C)SCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000366994204 386425015 /nfs/dbraw/zinc/42/50/15/386425015.db2.gz HCGZSFPPQPOTGP-TXEJJXNPSA-N 1 3 228.405 1.621 20 0 BDADHO CC(C)SCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000366994204 386425023 /nfs/dbraw/zinc/42/50/23/386425023.db2.gz HCGZSFPPQPOTGP-TXEJJXNPSA-N 1 3 228.405 1.621 20 0 BDADHO CC[C@H]1C[C@H](C)C[N@@H+]1CCN1CCNCC1 ZINC000399160971 386428366 /nfs/dbraw/zinc/42/83/66/386428366.db2.gz KTZIUJBFMMYFIE-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H]1C[C@H](C)C[N@H+]1CCN1CCNCC1 ZINC000399160971 386428371 /nfs/dbraw/zinc/42/83/71/386428371.db2.gz KTZIUJBFMMYFIE-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO Cc1ncccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000414787894 386528429 /nfs/dbraw/zinc/52/84/29/386528429.db2.gz CWPFVIUKOZLCHJ-AAEUAGOBSA-N 1 3 219.332 1.607 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCCSC1 ZINC000414912527 386474891 /nfs/dbraw/zinc/47/48/91/386474891.db2.gz YKKPPDVOWBYLIK-GHMZBOCLSA-N 1 3 214.378 1.614 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000415011127 386484891 /nfs/dbraw/zinc/48/48/91/386484891.db2.gz QEIDUBHSJFAQGS-VXGBXAGGSA-N 1 3 244.342 1.698 20 0 BDADHO CC[NH+](CC)CCCN1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339621218 386491048 /nfs/dbraw/zinc/49/10/48/386491048.db2.gz HGVMTWKUOAYZJC-KBPBESRZSA-N 1 3 241.423 1.743 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H](C)[C@H](C)[NH3+] ZINC000415013146 386494781 /nfs/dbraw/zinc/49/47/81/386494781.db2.gz KIXUXOWJIALDGE-DCAQKATOSA-N 1 3 202.342 1.373 20 0 BDADHO C1CC1[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415049117 386506823 /nfs/dbraw/zinc/50/68/23/386506823.db2.gz AOLSAFFQULOVMP-LBELIVKGSA-N 1 3 206.333 1.373 20 0 BDADHO CC(C)[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042539 386529801 /nfs/dbraw/zinc/52/98/01/386529801.db2.gz SPXAUKPIEYFLBM-KIJLLGNVSA-N 1 3 208.349 1.619 20 0 BDADHO Cn1ncc(Cl)c1CN[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415051910 386508021 /nfs/dbraw/zinc/50/80/21/386508021.db2.gz ZZBGAFYEXSDVIX-RKDXNWHRSA-N 1 3 242.754 1.291 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415051625 386508227 /nfs/dbraw/zinc/50/82/27/386508227.db2.gz MHCCEMFSEUEZBO-REBRKWNGSA-N 1 3 230.355 1.988 20 0 BDADHO COC(=O)c1coc(CN[C@@H](C)CCC[NH3+])c1 ZINC000415025879 386513599 /nfs/dbraw/zinc/51/35/99/386513599.db2.gz RXWPUTQHPDSZII-VIFPVBQESA-N 1 3 240.303 1.283 20 0 BDADHO CCOc1cccc(CN[C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415033145 386521538 /nfs/dbraw/zinc/52/15/38/386521538.db2.gz IQFWMXFNALLKJA-NEPJUHHUSA-N 1 3 249.358 1.697 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000415042071 386527329 /nfs/dbraw/zinc/52/73/29/386527329.db2.gz QEADATFQGKNCQU-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](CCc1ccsc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415041667 386527443 /nfs/dbraw/zinc/52/74/43/386527443.db2.gz RORRHPYFTILHCJ-FTYKPCCVSA-N 1 3 236.384 1.877 20 0 BDADHO CCN1CCCC[C@H]1CNC[C@@]1(C)CC[NH2+]C1 ZINC000415074291 386574367 /nfs/dbraw/zinc/57/43/67/386574367.db2.gz CGCOERKZDCZCHT-KBPBESRZSA-N 1 3 239.407 1.450 20 0 BDADHO COc1cc(CC[NH2+]C2CCNCC2)ccc1C ZINC000415078466 386586530 /nfs/dbraw/zinc/58/65/30/386586530.db2.gz GLAKHKRCMGZSON-UHFFFAOYSA-N 1 3 248.370 1.888 20 0 BDADHO COc1cc(CCNC2CC[NH2+]CC2)ccc1C ZINC000415078466 386586533 /nfs/dbraw/zinc/58/65/33/386586533.db2.gz GLAKHKRCMGZSON-UHFFFAOYSA-N 1 3 248.370 1.888 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000442711731 386535333 /nfs/dbraw/zinc/53/53/33/386535333.db2.gz FLIDJNQCEJQNAH-ZYHUDNBSSA-N 1 3 241.379 1.090 20 0 BDADHO COC[C@@H](CC(C)C)NCCC[NH2+]C1CC1 ZINC000415072531 386562770 /nfs/dbraw/zinc/56/27/70/386562770.db2.gz WMQURSBURURFAZ-CYBMUJFWSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]CCCNC1CC1 ZINC000415072531 386562776 /nfs/dbraw/zinc/56/27/76/386562776.db2.gz WMQURSBURURFAZ-CYBMUJFWSA-N 1 3 228.380 1.779 20 0 BDADHO CCc1ccccc1[C@H](N)CNC1CC[NH2+]CC1 ZINC000415072395 386564286 /nfs/dbraw/zinc/56/42/86/386564286.db2.gz YCLWRYSNRBWVAS-OAHLLOKOSA-N 1 3 247.386 1.590 20 0 BDADHO Cc1noc(C)c1CC[NH2+]C[C@@H](N)CC(C)C ZINC000415074578 386567357 /nfs/dbraw/zinc/56/73/57/386567357.db2.gz CVPWYUWIHIPNAO-LBPRGKRZSA-N 1 3 239.363 1.797 20 0 BDADHO Cc1ccccc1OCC[NH2+]CC(C)(C)N ZINC000415075988 386571661 /nfs/dbraw/zinc/57/16/61/386571661.db2.gz CBZMRESUWMPZCL-UHFFFAOYSA-N 1 3 222.332 1.701 20 0 BDADHO Cc1cc(CC[NH2+]C2CCNCC2)cc(C)c1O ZINC000415100734 386621623 /nfs/dbraw/zinc/62/16/23/386621623.db2.gz HEBWPAQCLJHJOL-UHFFFAOYSA-N 1 3 248.370 1.893 20 0 BDADHO Cc1cc(CCNC2CC[NH2+]CC2)cc(C)c1O ZINC000415100734 386621630 /nfs/dbraw/zinc/62/16/30/386621630.db2.gz HEBWPAQCLJHJOL-UHFFFAOYSA-N 1 3 248.370 1.893 20 0 BDADHO C[C@H](CO)[N@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000415103778 386623188 /nfs/dbraw/zinc/62/31/88/386623188.db2.gz JYDJQHKJPHNOKJ-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](CO)[N@@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000415103778 386623193 /nfs/dbraw/zinc/62/31/93/386623193.db2.gz JYDJQHKJPHNOKJ-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC1)C1CCSCC1 ZINC000335498704 386625530 /nfs/dbraw/zinc/62/55/30/386625530.db2.gz UFAQLSKSNDYUNW-GXSJLCMTSA-N 1 3 214.378 1.470 20 0 BDADHO Cc1ncccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000414803324 386599830 /nfs/dbraw/zinc/59/98/30/386599830.db2.gz NQLOHOBDOAAZAK-JSGCOSHPSA-N 1 3 233.359 1.997 20 0 BDADHO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415088205 386607561 /nfs/dbraw/zinc/60/75/61/386607561.db2.gz UYFCAHAUMCBDIG-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@H]1CCCO1 ZINC000415088205 386607566 /nfs/dbraw/zinc/60/75/66/386607566.db2.gz UYFCAHAUMCBDIG-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@]1(CNCCc2ccccc2F)CC[NH2+]C1 ZINC000415093289 386612584 /nfs/dbraw/zinc/61/25/84/386612584.db2.gz VDISFXJZVUFXJM-AWEZNQCLSA-N 1 3 236.334 1.957 20 0 BDADHO COc1cccc(C[C@@H](C)N[C@@H](C[NH3+])C2CC2)n1 ZINC000414807129 386617557 /nfs/dbraw/zinc/61/75/57/386617557.db2.gz QWODWAPGKOOUKX-MFKMUULPSA-N 1 3 249.358 1.348 20 0 BDADHO C[NH+](C)C1(CNC(=O)C(C)(C)N)CCCCC1 ZINC000040925003 386660902 /nfs/dbraw/zinc/66/09/02/386660902.db2.gz SMPBGSMDTYQPBD-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H](C)CNC)CCO1 ZINC000414838686 386740126 /nfs/dbraw/zinc/74/01/26/386740126.db2.gz LKTKBEOUWTZZEJ-JHJVBQTASA-N 1 3 228.380 1.637 20 0 BDADHO COCc1cccc(C[NH2+][C@@H]2CNCC[C@@H]2C)c1 ZINC000414928674 386722031 /nfs/dbraw/zinc/72/20/31/386722031.db2.gz NDWFDCLOMQBCQA-SWLSCSKDSA-N 1 3 248.370 1.921 20 0 BDADHO C[C@@H]1CCC[C@@H]1[NH2+]CCCN(C)CCN(C)C ZINC000623087813 386723876 /nfs/dbraw/zinc/72/38/76/386723876.db2.gz JOQWKUWIDPCZEK-KGLIPLIRSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H](C[NH3+])NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417813694 386782068 /nfs/dbraw/zinc/78/20/68/386782068.db2.gz GLPMCNJDCZFCEQ-CMPLNLGQSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1NCCCC1(C)C ZINC000417850172 386808350 /nfs/dbraw/zinc/80/83/50/386808350.db2.gz MCOVLWXBZOOLMG-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO CNC[C@@H](C)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414846181 386811626 /nfs/dbraw/zinc/81/16/26/386811626.db2.gz UGKZFXZEOXANAR-QWHCGFSZSA-N 1 3 242.407 1.884 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCOC1(C)C)CN1CCCC1 ZINC000328275054 386841918 /nfs/dbraw/zinc/84/19/18/386841918.db2.gz XMTGTWIUZOZKDS-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](CN[C@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275054 386841925 /nfs/dbraw/zinc/84/19/25/386841925.db2.gz XMTGTWIUZOZKDS-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CSCC1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000395485139 386842114 /nfs/dbraw/zinc/84/21/14/386842114.db2.gz XVUWKSSKNVHWAT-HTAVTVPLSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H]1CN(Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000335747856 386870986 /nfs/dbraw/zinc/87/09/86/386870986.db2.gz VSULNPLIEPXWJD-GXFFZTMASA-N 1 3 219.332 1.438 20 0 BDADHO CC[C@@H](CO)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000332046946 386947882 /nfs/dbraw/zinc/94/78/82/386947882.db2.gz VGJBCXHOFFGEHJ-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO CSCCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368316510 386959311 /nfs/dbraw/zinc/95/93/11/386959311.db2.gz LCXKRVCYFQHVCF-GFCCVEGCSA-N 1 3 228.405 1.767 20 0 BDADHO CSCCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368316510 386959314 /nfs/dbraw/zinc/95/93/14/386959314.db2.gz LCXKRVCYFQHVCF-GFCCVEGCSA-N 1 3 228.405 1.767 20 0 BDADHO CC[C@@H](NCCCC[NH+](C)C)c1nccn1C ZINC000341703146 386952069 /nfs/dbraw/zinc/95/20/69/386952069.db2.gz CFLWGHWBVPQGKT-GFCCVEGCSA-N 1 3 238.379 1.803 20 0 BDADHO CC[C@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000359208385 387067298 /nfs/dbraw/zinc/06/72/98/387067298.db2.gz BSKZAIULNQJQPF-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](N[C@H]1CCc2nc[nH]c2C1)[C@H]1CCCC[NH2+]1 ZINC000333227060 387023307 /nfs/dbraw/zinc/02/33/07/387023307.db2.gz BDAJQBUNTZFQHP-SDDRHHMPSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H](N[C@H]1CCc2[nH]cnc2C1)[C@H]1CCCC[NH2+]1 ZINC000333227060 387023308 /nfs/dbraw/zinc/02/33/08/387023308.db2.gz BDAJQBUNTZFQHP-SDDRHHMPSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@H]1CCCCN1 ZINC000333227060 387023312 /nfs/dbraw/zinc/02/33/12/387023312.db2.gz BDAJQBUNTZFQHP-SDDRHHMPSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2cccnc2)C1 ZINC000111695582 387085405 /nfs/dbraw/zinc/08/54/05/387085405.db2.gz RXVCTGGENBYTOL-TZMCWYRMSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H]([NH2+]C1CCNCC1)c1ccc2n[nH]cc2c1 ZINC000335009086 387105292 /nfs/dbraw/zinc/10/52/92/387105292.db2.gz KEODVXHAMVWTTE-JTQLQIEISA-N 1 3 244.342 1.966 20 0 BDADHO [NH3+]C1(CNC2CCC(O)CC2)CCCCC1 ZINC000335011554 387107256 /nfs/dbraw/zinc/10/72/56/387107256.db2.gz UWZCKMJVNLIOON-UHFFFAOYSA-N 1 3 226.364 1.541 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)C[C@H]1CCCOC1 ZINC000250379992 387114270 /nfs/dbraw/zinc/11/42/70/387114270.db2.gz JBSFWFKUWFUXIL-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)C[C@H]1CCCOC1 ZINC000250379992 387114275 /nfs/dbraw/zinc/11/42/75/387114275.db2.gz JBSFWFKUWFUXIL-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250379992 387114278 /nfs/dbraw/zinc/11/42/78/387114278.db2.gz JBSFWFKUWFUXIL-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H]([NH2+]CC1CNC1)[C@@H](C)c1ccccc1 ZINC000423306205 387142278 /nfs/dbraw/zinc/14/22/78/387142278.db2.gz SMIHNUIZAUIUHN-VXGBXAGGSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H](NCC1C[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000423306205 387142281 /nfs/dbraw/zinc/14/22/81/387142281.db2.gz SMIHNUIZAUIUHN-VXGBXAGGSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423310250 387146651 /nfs/dbraw/zinc/14/66/51/387146651.db2.gz ROAQLYXUYJCQST-YIYPIFLZSA-N 1 3 240.391 1.766 20 0 BDADHO CCC1(CC)[C@H]([NH2+]C[C@H](C)CN)C[C@H]1OC ZINC000423312373 387147868 /nfs/dbraw/zinc/14/78/68/387147868.db2.gz UZPKNFUCPQLDKP-IJLUTSLNSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](C)CN)C1CCSCC1 ZINC000423310921 387149624 /nfs/dbraw/zinc/14/96/24/387149624.db2.gz SPLZNCOGZIKXDQ-VHSXEESVSA-N 1 3 216.394 1.703 20 0 BDADHO C[C@@H](CN)C[NH2+]C1CCC(C(F)F)CC1 ZINC000423313231 387151599 /nfs/dbraw/zinc/15/15/99/387151599.db2.gz WNQXEBQYILMRBQ-IDKOKCKLSA-N 1 3 220.307 1.995 20 0 BDADHO CCC1(CC)[C@H](NC[C@H]([NH3+])C2CC2)C[C@@H]1OC ZINC000423314785 387153874 /nfs/dbraw/zinc/15/38/74/387153874.db2.gz HUYCKKRQQMZZMS-XQQFMLRXSA-N 1 3 240.391 1.907 20 0 BDADHO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)CN ZINC000423320885 387161936 /nfs/dbraw/zinc/16/19/36/387161936.db2.gz GYRHOIVIRQVHOR-PELKAZGASA-N 1 3 238.306 1.758 20 0 BDADHO [NH3+][C@@H](CN[C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000423321198 387162583 /nfs/dbraw/zinc/16/25/83/387162583.db2.gz MZTXKRQNDJWUAF-MROQNXINSA-N 1 3 236.359 1.271 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCC2)CN1C1CC1 ZINC000423321342 387165145 /nfs/dbraw/zinc/16/51/45/387165145.db2.gz HISYTJULTXJXFS-GHMZBOCLSA-N 1 3 223.364 1.083 20 0 BDADHO C[C@@H]1C[C@@H](NCC2([NH3+])CCC2)CN1C1CC1 ZINC000423321342 387165151 /nfs/dbraw/zinc/16/51/51/387165151.db2.gz HISYTJULTXJXFS-GHMZBOCLSA-N 1 3 223.364 1.083 20 0 BDADHO COc1cc([C@@H](C)NCCCC[NH3+])c(F)cn1 ZINC000423321371 387165333 /nfs/dbraw/zinc/16/53/33/387165333.db2.gz HLBVPQXXVWUEGR-SECBINFHSA-N 1 3 241.310 1.619 20 0 BDADHO COc1ccc(C[C@H](C)NCC2([NH3+])CCC2)cn1 ZINC000423321596 387165648 /nfs/dbraw/zinc/16/56/48/387165648.db2.gz GMXGAAZYMDFPML-NSHDSACASA-N 1 3 249.358 1.492 20 0 BDADHO CCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371206379 387172283 /nfs/dbraw/zinc/17/22/83/387172283.db2.gz YKWZUJDMYMDDDV-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371206379 387172290 /nfs/dbraw/zinc/17/22/90/387172290.db2.gz YKWZUJDMYMDDDV-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CC1(C)[C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCCO[C@@H]21 ZINC000423331054 387176645 /nfs/dbraw/zinc/17/66/45/387176645.db2.gz UOOCEGVEIDCCMD-RVMXOQNASA-N 1 3 238.375 1.517 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000423332809 387177263 /nfs/dbraw/zinc/17/72/63/387177263.db2.gz PKJVRKBPOLNJBU-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423332809 387177267 /nfs/dbraw/zinc/17/72/67/387177267.db2.gz PKJVRKBPOLNJBU-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423332814 387177401 /nfs/dbraw/zinc/17/74/01/387177401.db2.gz PKJVRKBPOLNJBU-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423332814 387177403 /nfs/dbraw/zinc/17/74/03/387177403.db2.gz PKJVRKBPOLNJBU-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(O)c1 ZINC000423344438 387193726 /nfs/dbraw/zinc/19/37/26/387193726.db2.gz MUPKBBOBSUNJKT-NSHDSACASA-N 1 3 232.327 1.963 20 0 BDADHO C[C@H](Cc1ccccc1F)NCC1C[NH2+]C1 ZINC000423300992 387132774 /nfs/dbraw/zinc/13/27/74/387132774.db2.gz GMDYDMOEBWOGFZ-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO C[C@H](Cc1ccccc1F)[NH2+]CC1CNC1 ZINC000423300992 387132781 /nfs/dbraw/zinc/13/27/81/387132781.db2.gz GMDYDMOEBWOGFZ-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@H](CC)Cn1cncn1 ZINC000423299984 387133301 /nfs/dbraw/zinc/13/33/01/387133301.db2.gz QRAKFLKCVNZTLX-NEPJUHHUSA-N 1 3 239.367 1.164 20 0 BDADHO C1CC([C@H]2CC[C@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000423302193 387135791 /nfs/dbraw/zinc/13/57/91/387135791.db2.gz JFIFRYGEGJYWTD-YNEHKIRRSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000423356848 387206777 /nfs/dbraw/zinc/20/67/77/387206777.db2.gz HHAHSCUENOMZDC-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO CCO[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423361148 387213128 /nfs/dbraw/zinc/21/31/28/387213128.db2.gz MCUDFVZLIAMCTA-AGIUHOORSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366719 387219262 /nfs/dbraw/zinc/21/92/62/387219262.db2.gz QIBWBPVFYUMHEF-SCRDCRAPSA-N 1 3 237.391 1.201 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423368582 387220702 /nfs/dbraw/zinc/22/07/02/387220702.db2.gz SBZATRJQROHLRZ-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000336410455 387237874 /nfs/dbraw/zinc/23/78/74/387237874.db2.gz DEUODDCTJJCSQY-ZWNOBZJWSA-N 1 3 244.342 1.732 20 0 BDADHO CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414578 387245604 /nfs/dbraw/zinc/24/56/04/387245604.db2.gz NERMOHBJMCANIO-UONOGXRCSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423420171 387247770 /nfs/dbraw/zinc/24/77/70/387247770.db2.gz BDYBZWSRDVUOOW-XQHKEYJVSA-N 1 3 208.349 1.763 20 0 BDADHO CCC[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423419133 387248852 /nfs/dbraw/zinc/24/88/52/387248852.db2.gz AMYSJGNBGQEGNH-LBELIVKGSA-N 1 3 208.349 1.763 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000423379249 387260134 /nfs/dbraw/zinc/26/01/34/387260134.db2.gz MUMFYMRAJUCTGJ-DLOVCJGASA-N 1 3 212.337 1.142 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CC1 ZINC000423379249 387260137 /nfs/dbraw/zinc/26/01/37/387260137.db2.gz MUMFYMRAJUCTGJ-DLOVCJGASA-N 1 3 212.337 1.142 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1CCOC ZINC000423395394 387281378 /nfs/dbraw/zinc/28/13/78/387281378.db2.gz SMGUWFLZVZJPCV-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432127 387283918 /nfs/dbraw/zinc/28/39/18/387283918.db2.gz QRQZOKPHESTWGB-CHWSQXEVSA-N 1 3 226.364 1.533 20 0 BDADHO Cn1cc(CNCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459746125 387283933 /nfs/dbraw/zinc/28/39/33/387283933.db2.gz YZRJKOQLMIZNQE-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO Cn1cc(CNCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459746125 387283937 /nfs/dbraw/zinc/28/39/37/387283937.db2.gz YZRJKOQLMIZNQE-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO Cc1cc([C@H](C)N[C@@H](C)CCCC[NH3+])nn1C ZINC000423437041 387285808 /nfs/dbraw/zinc/28/58/08/387285808.db2.gz QGQGDHAFSHCRDI-JQWIXIFHSA-N 1 3 238.379 1.897 20 0 BDADHO C[C@@H](CCCc1cccnc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434761 387286207 /nfs/dbraw/zinc/28/62/07/387286207.db2.gz QMQWAKGKXFNUAA-SPWCGHHHSA-N 1 3 245.370 1.600 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccncc1 ZINC000423459799 387308232 /nfs/dbraw/zinc/30/82/32/387308232.db2.gz IKAXYTNULFOKIK-FOGDFJRCSA-N 1 3 207.321 1.858 20 0 BDADHO CC[C@@H]([NH2+]CCCNC1CC1)[C@H]1CCOC1 ZINC000423528005 387354821 /nfs/dbraw/zinc/35/48/21/387354821.db2.gz NHFYFNZTDGJXCB-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423527396 387356314 /nfs/dbraw/zinc/35/63/14/387356314.db2.gz MGOLYCMTPQGMOS-SMDDNHRTSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H](CN)C2CCCC2)CCN1C ZINC000423532935 387358541 /nfs/dbraw/zinc/35/85/41/387358541.db2.gz SDNCKAHMPLRZGQ-KWCYVHTRSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)CN1C1CC1 ZINC000423530346 387359439 /nfs/dbraw/zinc/35/94/39/387359439.db2.gz RCRZALNDGWIEDD-WCQYABFASA-N 1 3 237.391 1.343 20 0 BDADHO CO[C@@H]1CCC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643502974 387369314 /nfs/dbraw/zinc/36/93/14/387369314.db2.gz WQKWIVHXXFQTLN-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H](N[C@H]1CNCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474864 387322876 /nfs/dbraw/zinc/32/28/76/387322876.db2.gz HTRDWWIACRSSGL-VWYCJHECSA-N 1 3 247.333 1.104 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423491614 387335611 /nfs/dbraw/zinc/33/56/11/387335611.db2.gz JYIICMFRDCINSB-YPMHNXCESA-N 1 3 238.331 1.179 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423499724 387341266 /nfs/dbraw/zinc/34/12/66/387341266.db2.gz JLHZHZOOFUOTKC-ZNMIVQPWSA-N 1 3 247.386 1.718 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513360 387348382 /nfs/dbraw/zinc/34/83/82/387348382.db2.gz RHPWVOZPFVXPCS-JBLDHEPKSA-N 1 3 237.322 1.999 20 0 BDADHO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516157 387351634 /nfs/dbraw/zinc/35/16/34/387351634.db2.gz NMRARJOHXAKMSW-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[NH2+]C1CC1 ZINC000423519234 387352179 /nfs/dbraw/zinc/35/21/79/387352179.db2.gz DBSPKLNHGHWUIS-NXEZZACHSA-N 1 3 200.326 1.142 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]CCCNC1CC1 ZINC000423519234 387352185 /nfs/dbraw/zinc/35/21/85/387352185.db2.gz DBSPKLNHGHWUIS-NXEZZACHSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@H](Cn1cccn1)NCC(C)(C)C[NH+](C)C ZINC000121855249 387424023 /nfs/dbraw/zinc/42/40/23/387424023.db2.gz IQDHSPZBMUWXGU-GFCCVEGCSA-N 1 3 238.379 1.449 20 0 BDADHO C[C@H]([NH2+]CC(C)(C)[C@@H]1CCCCO1)C1CNC1 ZINC000643466607 387388764 /nfs/dbraw/zinc/38/87/64/387388764.db2.gz HGJVITDEWVOAGB-AAEUAGOBSA-N 1 3 240.391 1.779 20 0 BDADHO Cn1cc(CCC[NH2+][C@H]2CCC[C@H](N)C2)cn1 ZINC000515498321 387390034 /nfs/dbraw/zinc/39/00/34/387390034.db2.gz GQXQLFXHKMAOQS-STQMWFEESA-N 1 3 236.363 1.212 20 0 BDADHO Cn1cc(CCCN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000515498321 387390039 /nfs/dbraw/zinc/39/00/39/387390039.db2.gz GQXQLFXHKMAOQS-STQMWFEESA-N 1 3 236.363 1.212 20 0 BDADHO C[NH2+][C@@H](C)CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423626899 387390319 /nfs/dbraw/zinc/39/03/19/387390319.db2.gz HONLVGUDLPMVHM-CMPLNLGQSA-N 1 3 241.379 1.008 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000643475312 387509370 /nfs/dbraw/zinc/50/93/70/387509370.db2.gz FPIPXKSMTGBPLQ-WUHRBBMRSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)CC1CCOCC1)CN(C)C ZINC000425948681 387534799 /nfs/dbraw/zinc/53/47/99/387534799.db2.gz DOYIYNGTFSNHDL-OLZOCXBDSA-N 1 3 242.407 1.979 20 0 BDADHO CO[C@H]1CCC[C@@H](NCC[NH2+]C2CC2)C1 ZINC000643507647 387479830 /nfs/dbraw/zinc/47/98/30/387479830.db2.gz LOKOKGHYACVENW-NEPJUHHUSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](Cc1ccoc1)N[C@H]1CCC[NH2+]CC1 ZINC000643473920 387488017 /nfs/dbraw/zinc/48/80/17/387488017.db2.gz QUSSADBSLSUSRZ-AAEUAGOBSA-N 1 3 222.332 1.942 20 0 BDADHO CC(C)NCCC[NH2+][C@@H](C)CCCCO ZINC000643508292 387489107 /nfs/dbraw/zinc/48/91/07/387489107.db2.gz FDFVQHOUNTWHIU-LBPRGKRZSA-N 1 3 216.369 1.515 20 0 BDADHO CC(C)NCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000643508446 387489906 /nfs/dbraw/zinc/48/99/06/387489906.db2.gz KMVVNGQQRUWZGH-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)NCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000643508443 387490459 /nfs/dbraw/zinc/49/04/59/387490459.db2.gz KMVVNGQQRUWZGH-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000422535451 387595795 /nfs/dbraw/zinc/59/57/95/387595795.db2.gz CMRWDPUJBUNERV-CYBMUJFWSA-N 1 3 247.342 1.472 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCCOC1 ZINC000527532326 387598437 /nfs/dbraw/zinc/59/84/37/387598437.db2.gz MZTJGXATYXJTDM-RYUDHWBXSA-N 1 3 224.348 1.287 20 0 BDADHO Cc1cn[nH]c1CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422561432 387602247 /nfs/dbraw/zinc/60/22/47/387602247.db2.gz LETNTBNWMFHIAI-USWWRNFRSA-N 1 3 236.363 1.523 20 0 BDADHO CCCCNC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430595451 387629175 /nfs/dbraw/zinc/62/91/75/387629175.db2.gz XYAGJTKBURQNCB-UHFFFAOYSA-N 1 3 243.395 1.210 20 0 BDADHO CCCCNC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430595451 387629178 /nfs/dbraw/zinc/62/91/78/387629178.db2.gz XYAGJTKBURQNCB-UHFFFAOYSA-N 1 3 243.395 1.210 20 0 BDADHO CCCCNC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430595451 387629181 /nfs/dbraw/zinc/62/91/81/387629181.db2.gz XYAGJTKBURQNCB-UHFFFAOYSA-N 1 3 243.395 1.210 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422716136 387629293 /nfs/dbraw/zinc/62/92/93/387629293.db2.gz UCDUCNDOZORFLL-FPMFFAJLSA-N 1 3 242.407 1.761 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422716136 387629297 /nfs/dbraw/zinc/62/92/97/387629297.db2.gz UCDUCNDOZORFLL-FPMFFAJLSA-N 1 3 242.407 1.761 20 0 BDADHO CCC(CC)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422700847 387615759 /nfs/dbraw/zinc/61/57/59/387615759.db2.gz AVRCYIRVIWNOPP-PIGZVRMJSA-N 1 3 240.391 1.656 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H](O)C1CCCCC1 ZINC000422702996 387617414 /nfs/dbraw/zinc/61/74/14/387617414.db2.gz MBAGRQVLQCGOJZ-JHJVBQTASA-N 1 3 226.364 1.397 20 0 BDADHO CC[C@H](Cc1cccs1)NCC1C[NH2+]C1 ZINC000643516028 387619435 /nfs/dbraw/zinc/61/94/35/387619435.db2.gz OVPFPRXVMUTZSG-LLVKDONJSA-N 1 3 224.373 1.878 20 0 BDADHO CC[C@H](Cc1cccs1)[NH2+]CC1CNC1 ZINC000643516028 387619438 /nfs/dbraw/zinc/61/94/38/387619438.db2.gz OVPFPRXVMUTZSG-LLVKDONJSA-N 1 3 224.373 1.878 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619808 /nfs/dbraw/zinc/61/98/08/387619808.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619812 /nfs/dbraw/zinc/61/98/12/387619812.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619818 /nfs/dbraw/zinc/61/98/18/387619818.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCC[C@@H]1O ZINC000305636547 387619824 /nfs/dbraw/zinc/61/98/24/387619824.db2.gz ORZLZNOGZKVUTC-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H](CCc1ccco1)NCC1C[NH2+]C1 ZINC000643516021 387620082 /nfs/dbraw/zinc/62/00/82/387620082.db2.gz NHAYCKSMWYWGAL-JTQLQIEISA-N 1 3 208.305 1.410 20 0 BDADHO C[C@@H](CCc1ccco1)[NH2+]CC1CNC1 ZINC000643516021 387620086 /nfs/dbraw/zinc/62/00/86/387620086.db2.gz NHAYCKSMWYWGAL-JTQLQIEISA-N 1 3 208.305 1.410 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422706673 387621209 /nfs/dbraw/zinc/62/12/09/387621209.db2.gz UUYHJSKSCFFOMD-MELADBBJSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCCO1 ZINC000422704506 387621263 /nfs/dbraw/zinc/62/12/63/387621263.db2.gz PVBHIDUWDFQWQR-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000422704506 387621267 /nfs/dbraw/zinc/62/12/67/387621267.db2.gz PVBHIDUWDFQWQR-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC1(O)CCCC1 ZINC000305652673 387623311 /nfs/dbraw/zinc/62/33/11/387623311.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC1(O)CCCC1 ZINC000305652673 387623318 /nfs/dbraw/zinc/62/33/18/387623318.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)CC1(O)CCCC1 ZINC000305652673 387623323 /nfs/dbraw/zinc/62/33/23/387623323.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)CC1(O)CCCC1 ZINC000305652673 387623326 /nfs/dbraw/zinc/62/33/26/387623326.db2.gz UXSFOKRVICVSPO-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CNCC[C@H]1C ZINC000422711747 387625888 /nfs/dbraw/zinc/62/58/88/387625888.db2.gz GCEPGSARTABADA-DGCLKSJQSA-N 1 3 236.363 1.169 20 0 BDADHO Cc1nccn1CCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422711747 387625890 /nfs/dbraw/zinc/62/58/90/387625890.db2.gz GCEPGSARTABADA-DGCLKSJQSA-N 1 3 236.363 1.169 20 0 BDADHO C[C@@](C[NH3+])(NCCc1cccnc1)C1CC1 ZINC000430559098 387627029 /nfs/dbraw/zinc/62/70/29/387627029.db2.gz RUHKCDNLMHXUJT-ZDUSSCGKSA-N 1 3 219.332 1.341 20 0 BDADHO COCC(C)(C)CN1CC[C@H](C[NH+](C)C)C1 ZINC000426356529 387559228 /nfs/dbraw/zinc/55/92/28/387559228.db2.gz KXMVTLKCJHWJOW-GFCCVEGCSA-N 1 3 228.380 1.543 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422717538 387631878 /nfs/dbraw/zinc/63/18/78/387631878.db2.gz WARYSERRGBZQTH-UMSGYPCISA-N 1 3 228.380 1.501 20 0 BDADHO CCCCOCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422729546 387639188 /nfs/dbraw/zinc/63/91/88/387639188.db2.gz KWRQGXLSRQXWND-NEPJUHHUSA-N 1 3 216.369 1.909 20 0 BDADHO CCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422732035 387641167 /nfs/dbraw/zinc/64/11/67/387641167.db2.gz NDEIVSQBIITESC-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cnccc1N ZINC000422747884 387651182 /nfs/dbraw/zinc/65/11/82/387651182.db2.gz ZSSIWNRFMGLENZ-WDEREUQCSA-N 1 3 248.374 1.627 20 0 BDADHO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1cnccc1N ZINC000422747884 387651184 /nfs/dbraw/zinc/65/11/84/387651184.db2.gz ZSSIWNRFMGLENZ-WDEREUQCSA-N 1 3 248.374 1.627 20 0 BDADHO C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1cnccc1N ZINC000422747884 387651186 /nfs/dbraw/zinc/65/11/86/387651186.db2.gz ZSSIWNRFMGLENZ-WDEREUQCSA-N 1 3 248.374 1.627 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000422749846 387655397 /nfs/dbraw/zinc/65/53/97/387655397.db2.gz BDERMMGQPWAEHT-NEPJUHHUSA-N 1 3 238.306 1.674 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000422750721 387655885 /nfs/dbraw/zinc/65/58/85/387655885.db2.gz DOGPBINQZWJKHE-CHWSQXEVSA-N 1 3 220.316 1.535 20 0 BDADHO CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422752765 387659265 /nfs/dbraw/zinc/65/92/65/387659265.db2.gz DAOKOYMNBAUWAD-ZMLRMANQSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN(C)Cc1ccccc1 ZINC000422756560 387661725 /nfs/dbraw/zinc/66/17/25/387661725.db2.gz JASJJMUORMQZBC-KBPBESRZSA-N 1 3 249.402 1.834 20 0 BDADHO Cc1ccccc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422762842 387663781 /nfs/dbraw/zinc/66/37/81/387663781.db2.gz MWNCRYJFKSWFJF-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccccc1CC[NH2+][C@@H](C)C1CNC1 ZINC000422762842 387663784 /nfs/dbraw/zinc/66/37/84/387663784.db2.gz MWNCRYJFKSWFJF-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422764852 387665686 /nfs/dbraw/zinc/66/56/86/387665686.db2.gz OPYGIDLVZYROAJ-AEGPPILISA-N 1 3 248.370 1.837 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOC1CCCC1 ZINC000422766513 387667833 /nfs/dbraw/zinc/66/78/33/387667833.db2.gz QEMYJKZVBHXPLE-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO CCN1CCC[C@H]1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422766499 387668131 /nfs/dbraw/zinc/66/81/31/387668131.db2.gz XLQNYODLPBOUSB-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO CN(CC[NH2+][C@H]1CCC[C@H]1N)Cc1ccccc1 ZINC000422767324 387668285 /nfs/dbraw/zinc/66/82/85/387668285.db2.gz RXOSYKAKWXWRMD-CABCVRRESA-N 1 3 247.386 1.588 20 0 BDADHO CN(CCN[C@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767324 387668288 /nfs/dbraw/zinc/66/82/88/387668288.db2.gz RXOSYKAKWXWRMD-CABCVRRESA-N 1 3 247.386 1.588 20 0 BDADHO COc1ccc(C)cc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422777007 387674866 /nfs/dbraw/zinc/67/48/66/387674866.db2.gz BOXDTRWSFWXSLF-LBPRGKRZSA-N 1 3 248.370 1.744 20 0 BDADHO COc1ccc(C)cc1CC[NH2+][C@@H](C)C1CNC1 ZINC000422777007 387674873 /nfs/dbraw/zinc/67/48/73/387674873.db2.gz BOXDTRWSFWXSLF-LBPRGKRZSA-N 1 3 248.370 1.744 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422780921 387681630 /nfs/dbraw/zinc/68/16/30/387681630.db2.gz KZCATSBKKSOJKA-RWMBFGLXSA-N 1 3 228.380 1.501 20 0 BDADHO COc1cc(CCN[C@H](C)C2C[NH2+]C2)ccc1C ZINC000422785597 387682580 /nfs/dbraw/zinc/68/25/80/387682580.db2.gz POFIXAWRSLHQMO-GFCCVEGCSA-N 1 3 248.370 1.744 20 0 BDADHO COc1cc(CC[NH2+][C@H](C)C2CNC2)ccc1C ZINC000422785597 387682585 /nfs/dbraw/zinc/68/25/85/387682585.db2.gz POFIXAWRSLHQMO-GFCCVEGCSA-N 1 3 248.370 1.744 20 0 BDADHO COC[C@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000126503112 387686335 /nfs/dbraw/zinc/68/63/35/387686335.db2.gz VUOFUAHCWHLCLA-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](NC[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503112 387686341 /nfs/dbraw/zinc/68/63/41/387686341.db2.gz VUOFUAHCWHLCLA-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CCCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422742931 387690102 /nfs/dbraw/zinc/69/01/02/387690102.db2.gz HHLLWBVXVHGDNQ-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(C)[C@H]([NH2+]C2CCNCC2)[C@@H]2CCCO[C@@H]21 ZINC000422788473 387690347 /nfs/dbraw/zinc/69/03/47/387690347.db2.gz VLKTTZFLJNLFTO-XQQFMLRXSA-N 1 3 238.375 1.532 20 0 BDADHO CC1(C)[C@H](NC2CC[NH2+]CC2)[C@@H]2CCCO[C@@H]21 ZINC000422788473 387690352 /nfs/dbraw/zinc/69/03/52/387690352.db2.gz VLKTTZFLJNLFTO-XQQFMLRXSA-N 1 3 238.375 1.532 20 0 BDADHO COc1ccc(CCC[NH2+]C2CCNCC2)cc1 ZINC000422743655 387690422 /nfs/dbraw/zinc/69/04/22/387690422.db2.gz USQIPPKIFALNRW-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO COc1ccc(CCCNC2CC[NH2+]CC2)cc1 ZINC000422743655 387690427 /nfs/dbraw/zinc/69/04/27/387690427.db2.gz USQIPPKIFALNRW-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO C[C@H]1CCNC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744853 387693269 /nfs/dbraw/zinc/69/32/69/387693269.db2.gz UGIQLWVHJWFPNH-FZMZJTMJSA-N 1 3 234.343 1.267 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000643525336 387743224 /nfs/dbraw/zinc/74/32/24/387743224.db2.gz XCNIBFKJNFUTQM-YVECIDJPSA-N 1 3 226.364 1.674 20 0 BDADHO Cc1ccc(OCCCN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422865070 387747514 /nfs/dbraw/zinc/74/75/14/387747514.db2.gz XAZDVQYHQBXRKC-CYBMUJFWSA-N 1 3 248.370 1.961 20 0 BDADHO Cc1ccc(OCCC[NH2+][C@H](C)C2CNC2)cc1 ZINC000422865070 387747518 /nfs/dbraw/zinc/74/75/18/387747518.db2.gz XAZDVQYHQBXRKC-CYBMUJFWSA-N 1 3 248.370 1.961 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCCOc1ccccc1 ZINC000422795829 387697144 /nfs/dbraw/zinc/69/71/44/387697144.db2.gz WSWHMWLPJMVAJB-KGLIPLIRSA-N 1 3 234.343 1.925 20 0 BDADHO CCSCC[C@@H](C)[NH2+][C@@H](C)C1CNC1 ZINC000422804914 387701026 /nfs/dbraw/zinc/70/10/26/387701026.db2.gz IIGPNNVGYGEJFZ-ZJUUUORDSA-N 1 3 216.394 1.716 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422806579 387704386 /nfs/dbraw/zinc/70/43/86/387704386.db2.gz IHKJZFYWSPESPV-OLZOCXBDSA-N 1 3 242.407 1.892 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1Cc2ccccc2O1 ZINC000422810950 387709439 /nfs/dbraw/zinc/70/94/39/387709439.db2.gz SPPRGAXYSZDCFU-LOWVWBTDSA-N 1 3 234.343 1.706 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCn1cccn1 ZINC000422811566 387711511 /nfs/dbraw/zinc/71/15/11/387711511.db2.gz PEUKPKYPUDRXNQ-CHWSQXEVSA-N 1 3 236.363 1.251 20 0 BDADHO CC(C)C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])N(C)C ZINC000422820793 387717011 /nfs/dbraw/zinc/71/70/11/387717011.db2.gz SFYWYZNACNKXAQ-RWMBFGLXSA-N 1 3 229.412 1.678 20 0 BDADHO CC(C)C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N(C)C ZINC000422821650 387717874 /nfs/dbraw/zinc/71/78/74/387717874.db2.gz XRFIBLPGOHNZBG-IHRRRGAJSA-N 1 3 241.423 1.693 20 0 BDADHO CCN(CCN[C@@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876967 387755447 /nfs/dbraw/zinc/75/54/47/387755447.db2.gz GZWOECFOXCBDKJ-GXTWGEPZSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCC[C@@H]1O ZINC000422824348 387720554 /nfs/dbraw/zinc/72/05/54/387720554.db2.gz NPIOWDSUJSOMAF-RFQIPJPRSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@H]2[NH3+])CCCC[C@@H]1O ZINC000422823365 387721002 /nfs/dbraw/zinc/72/10/02/387721002.db2.gz LJCPFGUSRQNEKY-FVCCEPFGSA-N 1 3 226.364 1.397 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422830680 387723539 /nfs/dbraw/zinc/72/35/39/387723539.db2.gz WCHOXZZGJQUXGD-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO COC1CCC(C[NH2+][C@@H](C)[C@@H]2CCCN2)CC1 ZINC000422828864 387724193 /nfs/dbraw/zinc/72/41/93/387724193.db2.gz BNPGYIFEIFDZSP-ABXWRUBCSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](N[C@@H](C)CN1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422836698 387728014 /nfs/dbraw/zinc/72/80/14/387728014.db2.gz RSVWBQZQMZQGIB-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO CC(C)([NH3+])CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000422878993 387755863 /nfs/dbraw/zinc/75/58/63/387755863.db2.gz JWIQRGCPNZSAGD-NSHDSACASA-N 1 3 241.379 1.138 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1(C)C ZINC000422848350 387735734 /nfs/dbraw/zinc/73/57/34/387735734.db2.gz JSEPNKCCRSKPSO-CHWFTXMASA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000643524231 387737093 /nfs/dbraw/zinc/73/70/93/387737093.db2.gz XBFLSVBUTRCPKP-MROQNXINSA-N 1 3 226.364 1.804 20 0 BDADHO CC[C@@H](CCO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858932 387741414 /nfs/dbraw/zinc/74/14/14/387741414.db2.gz GSXBLUAZKJHEMO-RWMBFGLXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCNC(=O)c1ccccc1 ZINC000422914075 387771899 /nfs/dbraw/zinc/77/18/99/387771899.db2.gz RKSZWYYXYQJKBD-VXGBXAGGSA-N 1 3 249.358 1.132 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000643529247 387772574 /nfs/dbraw/zinc/77/25/74/387772574.db2.gz XNCSBEDQPZWJNZ-QPUJVOFHSA-N 1 3 208.280 1.750 20 0 BDADHO COc1cccc(C[C@@H](NC[C@H](C)[NH3+])C2CC2)c1 ZINC000643528876 387772916 /nfs/dbraw/zinc/77/29/16/387772916.db2.gz QIQZZURVRFFRNB-XHDPSFHLSA-N 1 3 248.370 1.953 20 0 BDADHO C[C@@H]([NH3+])CN[C@@H]1CCCc2ccccc2C1 ZINC000643529674 387777556 /nfs/dbraw/zinc/77/75/56/387777556.db2.gz LPWGKVHBZXPBJV-BXUZGUMPSA-N 1 3 218.344 1.871 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCSC1 ZINC000422921731 387777702 /nfs/dbraw/zinc/77/77/02/387777702.db2.gz QSPBVPWGVMRABH-MXWKQRLJSA-N 1 3 214.378 1.742 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c(c1)COC2 ZINC000422986716 387796733 /nfs/dbraw/zinc/79/67/33/387796733.db2.gz DHFVPIVKGNPQPR-WDEREUQCSA-N 1 3 234.343 1.932 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C1CNC1 ZINC000422987168 387796784 /nfs/dbraw/zinc/79/67/84/387796784.db2.gz FOHNCJIBDDFUMC-LTTZEQNMSA-N 1 3 242.366 1.770 20 0 BDADHO C[C@H](NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)C1C[NH2+]C1 ZINC000422987168 387796786 /nfs/dbraw/zinc/79/67/86/387796786.db2.gz FOHNCJIBDDFUMC-LTTZEQNMSA-N 1 3 242.366 1.770 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(O)cc1 ZINC000422988265 387797640 /nfs/dbraw/zinc/79/76/40/387797640.db2.gz KCHBFYSXIZYKPU-OLZOCXBDSA-N 1 3 220.316 1.404 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc2C1)C1CNC1 ZINC000643477988 387802625 /nfs/dbraw/zinc/80/26/25/387802625.db2.gz MLBORIVJNGEIEH-CHWSQXEVSA-N 1 3 244.382 1.989 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527975282 387813290 /nfs/dbraw/zinc/81/32/90/387813290.db2.gz UAWZIGMUIPGTIQ-LOWDOPEQSA-N 1 3 226.364 1.484 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527975282 387813292 /nfs/dbraw/zinc/81/32/92/387813292.db2.gz UAWZIGMUIPGTIQ-LOWDOPEQSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1ccccn1 ZINC000423000037 387804120 /nfs/dbraw/zinc/80/41/20/387804120.db2.gz ULKDPPQFERMXHI-NEPJUHHUSA-N 1 3 221.348 1.730 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1ccccn1 ZINC000423000037 387804125 /nfs/dbraw/zinc/80/41/25/387804125.db2.gz ULKDPPQFERMXHI-NEPJUHHUSA-N 1 3 221.348 1.730 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000222052590 387806317 /nfs/dbraw/zinc/80/63/17/387806317.db2.gz MTHINVHAJPAYTJ-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CC[N@H+](CC)C1 ZINC000222052590 387806322 /nfs/dbraw/zinc/80/63/22/387806322.db2.gz MTHINVHAJPAYTJ-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000222052590 387806327 /nfs/dbraw/zinc/80/63/27/387806327.db2.gz MTHINVHAJPAYTJ-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000422952487 387809409 /nfs/dbraw/zinc/80/94/09/387809409.db2.gz CNEJFMRJBOSBBG-WOPDTQHZSA-N 1 3 238.379 1.543 20 0 BDADHO CCN(CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000422876174 387756687 /nfs/dbraw/zinc/75/66/87/387756687.db2.gz FFOOAZNQHNREDD-FUNVUKJBSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422881241 387757989 /nfs/dbraw/zinc/75/79/89/387757989.db2.gz YKGOECCRRMITJM-WOPDTQHZSA-N 1 3 228.405 1.860 20 0 BDADHO CC[C@H](NCCN(C)C(C)C)[C@@H]1CCC[NH2+]1 ZINC000422880875 387758286 /nfs/dbraw/zinc/75/82/86/387758286.db2.gz PEAXIEQMZNPQPA-STQMWFEESA-N 1 3 227.396 1.447 20 0 BDADHO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CCCN1 ZINC000423004076 387826444 /nfs/dbraw/zinc/82/64/44/387826444.db2.gz JCMPIHOPPVFZLQ-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO CCC(CC)(CO)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423003391 387826585 /nfs/dbraw/zinc/82/65/85/387826585.db2.gz LWLZFSOFMVMOAH-FUNVUKJBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000423013664 387835991 /nfs/dbraw/zinc/83/59/91/387835991.db2.gz NEPSFKBURDZWQX-GAIPPQHRSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H](C)N ZINC000423013773 387836203 /nfs/dbraw/zinc/83/62/03/387836203.db2.gz GRGAIKQMQUPUJV-NNYUYHANSA-N 1 3 214.353 1.517 20 0 BDADHO CO[C@@H]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013729 387836626 /nfs/dbraw/zinc/83/66/26/387836626.db2.gz GLSSKKNAPJYIFG-SYCZCVCYSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)C2CNC2)C1(C)C ZINC000423016690 387840364 /nfs/dbraw/zinc/84/03/64/387840364.db2.gz NEOXOUWVCBWLHA-CNVPUSNMSA-N 1 3 226.364 1.243 20 0 BDADHO CO[C@@H]1[C@H](C)[C@@H](N[C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016690 387840368 /nfs/dbraw/zinc/84/03/68/387840368.db2.gz NEOXOUWVCBWLHA-CNVPUSNMSA-N 1 3 226.364 1.243 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCSCC(F)(F)F ZINC000423016852 387841230 /nfs/dbraw/zinc/84/12/30/387841230.db2.gz NKFJQKVYIVKMSN-JGVFFNPUSA-N 1 3 242.310 1.751 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H](CO)CC1CCCC1 ZINC000423032221 387848420 /nfs/dbraw/zinc/84/84/20/387848420.db2.gz XWSQARFRKWMVKL-LOWVWBTDSA-N 1 3 228.380 1.643 20 0 BDADHO CC1=CCN(CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000423035733 387850424 /nfs/dbraw/zinc/85/04/24/387850424.db2.gz JWNHVSYOMLXTLZ-AWEZNQCLSA-N 1 3 237.391 1.370 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423038244 387853609 /nfs/dbraw/zinc/85/36/09/387853609.db2.gz ODGQFBPCZNYXMQ-MNOVXSKESA-N 1 3 216.369 1.765 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cnccc1C ZINC000629529401 387874318 /nfs/dbraw/zinc/87/43/18/387874318.db2.gz BITDWHJQRCQIHO-GFCCVEGCSA-N 1 3 237.347 1.277 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)c1ccncc1 ZINC000643460366 387874352 /nfs/dbraw/zinc/87/43/52/387874352.db2.gz WIPJVWSZUGCAER-BNOWGMLFSA-N 1 3 233.359 1.902 20 0 BDADHO CC[C@@H](NCC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423063693 387868328 /nfs/dbraw/zinc/86/83/28/387868328.db2.gz XGGVAFUSKBVWMJ-OLZOCXBDSA-N 1 3 239.407 1.591 20 0 BDADHO CO[C@@H]1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423066004 387870375 /nfs/dbraw/zinc/87/03/75/387870375.db2.gz COVBNHSHWQUBHU-LOWDOPEQSA-N 1 3 226.364 1.674 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000423070833 387872268 /nfs/dbraw/zinc/87/22/68/387872268.db2.gz DPEJVEBMGBJGEA-MCIONIFRSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCCN1C1CC1 ZINC000423070833 387872271 /nfs/dbraw/zinc/87/22/71/387872271.db2.gz DPEJVEBMGBJGEA-MCIONIFRSA-N 1 3 237.391 1.473 20 0 BDADHO COc1ccc([C@H]2CC[N@H+](C[C@@H](C)N)C2)cc1 ZINC000442658971 387813719 /nfs/dbraw/zinc/81/37/19/387813719.db2.gz AMQPSZJQMMDHPP-YPMHNXCESA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@H]2CC[N@@H+](C[C@@H](C)N)C2)cc1 ZINC000442658971 387813720 /nfs/dbraw/zinc/81/37/20/387813720.db2.gz AMQPSZJQMMDHPP-YPMHNXCESA-N 1 3 234.343 1.832 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@H](O)Cc1ccccc1 ZINC000423112588 387895631 /nfs/dbraw/zinc/89/56/31/387895631.db2.gz SBJKNGHRDXAMTI-MBNYWOFBSA-N 1 3 236.359 1.305 20 0 BDADHO COCC1(C[NH2+][C@H]2CCNCC[C@H]2C)CCC1 ZINC000423113188 387896295 /nfs/dbraw/zinc/89/62/95/387896295.db2.gz KLSDIPFLCAPXIC-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000423079561 387876080 /nfs/dbraw/zinc/87/60/80/387876080.db2.gz QYETXZDYDSRIDL-MJBXVCDLSA-N 1 3 240.391 1.787 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCC[C@H]1N ZINC000423084029 387878830 /nfs/dbraw/zinc/87/88/30/387878830.db2.gz HABBINULQZYILW-UTUOFQBUSA-N 1 3 213.369 1.186 20 0 BDADHO CSC1(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000423082704 387879233 /nfs/dbraw/zinc/87/92/33/387879233.db2.gz FPWRWKBSWNBVCS-MNOVXSKESA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H](NCC1(CO)CC2(CCC2)C1)C1C[NH2+]C1 ZINC000423087681 387880496 /nfs/dbraw/zinc/88/04/96/387880496.db2.gz OPPPPNYFGYFMBC-LLVKDONJSA-N 1 3 238.375 1.127 20 0 BDADHO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)C1CNC1 ZINC000423087681 387880500 /nfs/dbraw/zinc/88/05/00/387880500.db2.gz OPPPPNYFGYFMBC-LLVKDONJSA-N 1 3 238.375 1.127 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CNC1 ZINC000423116287 387898708 /nfs/dbraw/zinc/89/87/08/387898708.db2.gz PEYVNBKLFNGXAH-YVECIDJPSA-N 1 3 240.391 1.778 20 0 BDADHO CCSCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000423117668 387898718 /nfs/dbraw/zinc/89/87/18/387898718.db2.gz WOOCVJSBNHTDEG-NXEZZACHSA-N 1 3 204.383 1.845 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](CO)CCC(C)(C)C ZINC000423099889 387887772 /nfs/dbraw/zinc/88/77/72/387887772.db2.gz UOFJQFOHSOVHNM-SDDRHHMPSA-N 1 3 230.396 1.889 20 0 BDADHO CC[C@H](NC[C@@H]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116072 387899270 /nfs/dbraw/zinc/89/92/70/387899270.db2.gz ZKBFSTWKUFASRD-XUXIUFHCSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCCN1 ZINC000423116072 387899274 /nfs/dbraw/zinc/89/92/74/387899274.db2.gz ZKBFSTWKUFASRD-XUXIUFHCSA-N 1 3 240.391 1.779 20 0 BDADHO CCSCCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423116964 387899406 /nfs/dbraw/zinc/89/94/06/387899406.db2.gz SGGHRPCKKFBVEQ-UWVGGRQHSA-N 1 3 202.367 1.599 20 0 BDADHO C[C@H](CCC[NH3+])NCc1ncccc1N(C)C ZINC000423121545 387900993 /nfs/dbraw/zinc/90/09/93/387900993.db2.gz IURUNCCFWKWLKV-LLVKDONJSA-N 1 3 236.363 1.365 20 0 BDADHO F[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000423123278 387903266 /nfs/dbraw/zinc/90/32/66/387903266.db2.gz KXPJWHHWZCIBJZ-MXWKQRLJSA-N 1 3 200.301 1.609 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000423127299 387904963 /nfs/dbraw/zinc/90/49/63/387904963.db2.gz PFPGKQRXDLECKQ-NXEZZACHSA-N 1 3 202.317 1.984 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCC1(F)CCC1 ZINC000423127299 387904968 /nfs/dbraw/zinc/90/49/68/387904968.db2.gz PFPGKQRXDLECKQ-NXEZZACHSA-N 1 3 202.317 1.984 20 0 BDADHO C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)C1CNC1 ZINC000423132418 387910106 /nfs/dbraw/zinc/91/01/06/387910106.db2.gz JGCMRKKTONZDIZ-FZMZJTMJSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@H](NC[C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132418 387910109 /nfs/dbraw/zinc/91/01/09/387910109.db2.gz JGCMRKKTONZDIZ-FZMZJTMJSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000423153262 387931403 /nfs/dbraw/zinc/93/14/03/387931403.db2.gz HENHQHSDZSADFK-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155699 387933871 /nfs/dbraw/zinc/93/38/71/387933871.db2.gz LIIOAYCKNHOFDW-NWDGAFQWSA-N 1 3 242.407 1.761 20 0 BDADHO Cc1ccc(CN2CC[C@H](C[NH3+])C2)s1 ZINC000050225617 387927307 /nfs/dbraw/zinc/92/73/07/387927307.db2.gz FMBDAEXHWIUTQA-SNVBAGLBSA-N 1 3 210.346 1.837 20 0 BDADHO CC[C@H](N[C@H]1CC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423150105 387928170 /nfs/dbraw/zinc/92/81/70/387928170.db2.gz AXVAMKPXAACZGH-RFGFWPKPSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2cncn2c1 ZINC000423167898 387951892 /nfs/dbraw/zinc/95/18/92/387951892.db2.gz FZOKAXLTRYAAGE-WDEREUQCSA-N 1 3 232.331 1.550 20 0 BDADHO Cc1noc(CCCN[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000424285601 387952957 /nfs/dbraw/zinc/95/29/57/387952957.db2.gz GBGXPPFAGXHCBT-GHMZBOCLSA-N 1 3 238.335 1.170 20 0 BDADHO COc1cccc2c1C[C@H](N[C@@H](C)C1C[NH2+]C1)C2 ZINC000423167422 387953200 /nfs/dbraw/zinc/95/32/00/387953200.db2.gz FDDPIVZZRDWGQE-GXFFZTMASA-N 1 3 246.354 1.360 20 0 BDADHO COc1cccc2c1C[C@H]([NH2+][C@@H](C)C1CNC1)C2 ZINC000423167422 387953205 /nfs/dbraw/zinc/95/32/05/387953205.db2.gz FDDPIVZZRDWGQE-GXFFZTMASA-N 1 3 246.354 1.360 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])O1 ZINC000423160780 387941951 /nfs/dbraw/zinc/94/19/51/387941951.db2.gz HVONGXSCTFCEJM-FDYHWXHSSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOCC1CCCC1 ZINC000423161829 387943515 /nfs/dbraw/zinc/94/35/15/387943515.db2.gz JTMZIVQVNNQEEW-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO Cc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])nc1 ZINC000423162387 387944377 /nfs/dbraw/zinc/94/43/77/387944377.db2.gz KYWBNHQTKWTRKJ-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)N)nc1 ZINC000423162387 387944379 /nfs/dbraw/zinc/94/43/79/387944379.db2.gz KYWBNHQTKWTRKJ-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164100 387945288 /nfs/dbraw/zinc/94/52/88/387945288.db2.gz NVRVUVRGFYGISZ-YVECIDJPSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@H]1CCOC1 ZINC000423163657 387946648 /nfs/dbraw/zinc/94/66/48/387946648.db2.gz RFOATUAFLMFXKC-TUAOUCFPSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCC[C@@H]1O ZINC000423162816 387946772 /nfs/dbraw/zinc/94/67/72/387946772.db2.gz QHFWCOJUYPUTIN-LOWDOPEQSA-N 1 3 226.364 1.125 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H](C)C1C[NH2+]C1)OC ZINC000423165959 387950905 /nfs/dbraw/zinc/95/09/05/387950905.db2.gz YNEXBUJWVGZDMM-UMNHJUIQSA-N 1 3 214.353 1.245 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@H](C)C1CNC1)OC ZINC000423165959 387950908 /nfs/dbraw/zinc/95/09/08/387950908.db2.gz YNEXBUJWVGZDMM-UMNHJUIQSA-N 1 3 214.353 1.245 20 0 BDADHO C[C@@H]([NH2+]C1(C2CCC2)CCC1)C1CNC1 ZINC000423171610 387959101 /nfs/dbraw/zinc/95/91/01/387959101.db2.gz PDZCGWSLSMHMGS-SNVBAGLBSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCCC2)[C@@H](C)O1 ZINC000423176606 387962380 /nfs/dbraw/zinc/96/23/80/387962380.db2.gz HGDWZIFVHBZAJI-UTUOFQBUSA-N 1 3 226.364 1.804 20 0 BDADHO CC[N@H+](CC[C@@H]1CCCN1C)C[C@H]1CCCO1 ZINC000245597161 387964168 /nfs/dbraw/zinc/96/41/68/387964168.db2.gz HTLFEPKSNCURGM-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@@H+](CC[C@@H]1CCCN1C)C[C@H]1CCCO1 ZINC000245597161 387964173 /nfs/dbraw/zinc/96/41/73/387964173.db2.gz HTLFEPKSNCURGM-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423177778 387964969 /nfs/dbraw/zinc/96/49/69/387964969.db2.gz HWCBZQNRFVFMRN-DDHJBXDOSA-N 1 3 220.316 1.853 20 0 BDADHO CCCCO[C@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000423186057 387972235 /nfs/dbraw/zinc/97/22/35/387972235.db2.gz JWWRLUOHYKBDME-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO CCCCO[C@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000423186057 387972240 /nfs/dbraw/zinc/97/22/40/387972240.db2.gz JWWRLUOHYKBDME-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCN)C1 ZINC000423182374 387967244 /nfs/dbraw/zinc/96/72/44/387967244.db2.gz LPRQRUWFAPWAPZ-JSGCOSHPSA-N 1 3 233.359 1.370 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@H](NCC[NH3+])C1 ZINC000423182374 387967248 /nfs/dbraw/zinc/96/72/48/387967248.db2.gz LPRQRUWFAPWAPZ-JSGCOSHPSA-N 1 3 233.359 1.370 20 0 BDADHO C[C@H](NCCC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423183402 387968294 /nfs/dbraw/zinc/96/82/94/387968294.db2.gz RQSVAWMTQSLGKV-LBPRGKRZSA-N 1 3 244.342 1.872 20 0 BDADHO C[C@@H](NCCC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000423183226 387968473 /nfs/dbraw/zinc/96/84/73/387968473.db2.gz HKJFHNGNSLUYDJ-LLVKDONJSA-N 1 3 245.330 1.267 20 0 BDADHO COC[C@H]([NH2+]CCCN)C1CCCC1 ZINC000423184339 387970443 /nfs/dbraw/zinc/97/04/43/387970443.db2.gz IJKMWQXKRQSJRP-NSHDSACASA-N 1 3 200.326 1.130 20 0 BDADHO Cc1cccc2c1CC[C@H]2NCCC[NH3+] ZINC000423186748 387971709 /nfs/dbraw/zinc/97/17/09/387971709.db2.gz XDNQGOFOUPFQOT-CYBMUJFWSA-N 1 3 204.317 1.921 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000423192865 387977935 /nfs/dbraw/zinc/97/79/35/387977935.db2.gz VFCZMKIGCWGFBS-HHTDUIENSA-N 1 3 240.391 1.909 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423201218 387987878 /nfs/dbraw/zinc/98/78/78/387987878.db2.gz OBRUFALNVHRTNZ-XQQFMLRXSA-N 1 3 238.375 1.533 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423201218 387987881 /nfs/dbraw/zinc/98/78/81/387987881.db2.gz OBRUFALNVHRTNZ-XQQFMLRXSA-N 1 3 238.375 1.533 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCNC ZINC000423202808 387989670 /nfs/dbraw/zinc/98/96/70/387989670.db2.gz RFEGVYBWHIDXAH-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423207669 387993251 /nfs/dbraw/zinc/99/32/51/387993251.db2.gz YBQUCFOCKPCBAX-QJPTWQEYSA-N 1 3 226.364 1.389 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423207669 387993254 /nfs/dbraw/zinc/99/32/54/387993254.db2.gz YBQUCFOCKPCBAX-QJPTWQEYSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423214251 387997321 /nfs/dbraw/zinc/99/73/21/387997321.db2.gz ONFHYTGPMPNHSH-BZPMIXESSA-N 1 3 237.391 1.058 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424375174 387998553 /nfs/dbraw/zinc/99/85/53/387998553.db2.gz MMZXZBLTMTXJBH-IGHBBLSQSA-N 1 3 237.391 1.329 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1C ZINC000424376495 387999563 /nfs/dbraw/zinc/99/95/63/387999563.db2.gz PKGURUYHTJNCMX-YVECIDJPSA-N 1 3 225.380 1.329 20 0 BDADHO CN(CCOCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000086638467 135091694 /nfs/dbraw/zinc/09/16/94/135091694.db2.gz MPKMPALYCLRXRO-UHFFFAOYSA-N 1 3 242.285 1.482 20 0 BDADHO COc1ccc(C[C@@H](C)NCC[C@H](C)[NH3+])cn1 ZINC000423222173 388001977 /nfs/dbraw/zinc/00/19/77/388001977.db2.gz AAONFAGRJHAVKD-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO COc1ccc(C[C@@H](C)[NH2+]CC[C@H](C)N)cn1 ZINC000423222173 388001981 /nfs/dbraw/zinc/00/19/81/388001981.db2.gz AAONFAGRJHAVKD-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246015472 388002427 /nfs/dbraw/zinc/00/24/27/388002427.db2.gz SSCZUFZLJGZCTH-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246015472 388002429 /nfs/dbraw/zinc/00/24/29/388002429.db2.gz SSCZUFZLJGZCTH-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]([NH3+])CCN[C@H]1CCc2ccccc2OC1 ZINC000423224160 388006348 /nfs/dbraw/zinc/00/63/48/388006348.db2.gz IJYHPKZQHAZVQT-YPMHNXCESA-N 1 3 234.343 1.707 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)O1 ZINC000424373222 387996072 /nfs/dbraw/zinc/99/60/72/387996072.db2.gz JDMIODVQJYAAPN-OOCWMUITSA-N 1 3 212.337 1.412 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](N)c1ccccc1 ZINC000423238395 388022312 /nfs/dbraw/zinc/02/23/12/388022312.db2.gz ADEASRPINKRBQP-XBFCOCLRSA-N 1 3 233.359 1.274 20 0 BDADHO CC[C@H](NC[C@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249309 388032279 /nfs/dbraw/zinc/03/22/79/388032279.db2.gz OPFZOBFNLSCNRV-KKUMJFAQSA-N 1 3 247.386 1.807 20 0 BDADHO N[C@@H](CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000423254583 388035067 /nfs/dbraw/zinc/03/50/67/388035067.db2.gz YOWGDDSIFNXSKR-MELADBBJSA-N 1 3 233.359 1.403 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](N)c1ccccc1 ZINC000423254099 388035562 /nfs/dbraw/zinc/03/55/62/388035562.db2.gz XCYIHHKLBGNCAY-SNPRPXQTSA-N 1 3 247.386 1.664 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2ccccn2)CC1 ZINC000082474684 388035771 /nfs/dbraw/zinc/03/57/71/388035771.db2.gz XWWVMIYCZODZKS-NSHDSACASA-N 1 3 219.332 1.641 20 0 BDADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254051 388035994 /nfs/dbraw/zinc/03/59/94/388035994.db2.gz WWZGUARRXDEGEE-GHMZBOCLSA-N 1 3 237.322 1.871 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000423255947 388036576 /nfs/dbraw/zinc/03/65/76/388036576.db2.gz AZLCAOILMVFPTN-TUAOUCFPSA-N 1 3 214.353 1.247 20 0 BDADHO N[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423254822 388037270 /nfs/dbraw/zinc/03/72/70/388037270.db2.gz ZPQPPKLTCIMIQG-JHJVBQTASA-N 1 3 219.332 1.156 20 0 BDADHO CCN1C[C@H]([NH2+][C@@H](CN)CC(C)C)[C@@H](C)C1 ZINC000423265357 388043866 /nfs/dbraw/zinc/04/38/66/388043866.db2.gz QVGYGPYEOYFBRB-XQQFMLRXSA-N 1 3 227.396 1.290 20 0 BDADHO C[C@@H](NC[C@@H](N)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244546 388027456 /nfs/dbraw/zinc/02/74/56/388027456.db2.gz HRSQNVZJZVXTPU-BPLDGKMQSA-N 1 3 247.386 1.807 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](N)c1ccccc1 ZINC000423246473 388029588 /nfs/dbraw/zinc/02/95/88/388029588.db2.gz KCVFCUZBPNBVKW-GVXVVHGQSA-N 1 3 221.348 1.402 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCCN1)C1CCSCC1 ZINC000423246344 388029611 /nfs/dbraw/zinc/02/96/11/388029611.db2.gz ZENHJMQWNAJABX-ZYHUDNBSSA-N 1 3 228.405 1.860 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](C)C1CCSCC1 ZINC000423271664 388051164 /nfs/dbraw/zinc/05/11/64/388051164.db2.gz JFDFSYAEZSSCOC-WDEREUQCSA-N 1 3 230.421 1.963 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCCOCC1 ZINC000083424426 388053438 /nfs/dbraw/zinc/05/34/38/388053438.db2.gz XQGXETSULLCRNQ-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423275559 388057481 /nfs/dbraw/zinc/05/74/81/388057481.db2.gz LTNPUVOKDLCLKZ-USZNOCQGSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423278578 388060395 /nfs/dbraw/zinc/06/03/95/388060395.db2.gz QWQIYTSIQSUZRF-RTXFEEFZSA-N 1 3 225.380 1.042 20 0 BDADHO COC[C@H](NCC(C)(C)[NH3+])C1CCCC1 ZINC000423281167 388064106 /nfs/dbraw/zinc/06/41/06/388064106.db2.gz APMHEEMJDGXMKQ-NSHDSACASA-N 1 3 214.353 1.519 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H](COC)C(C)C ZINC000423284647 388066783 /nfs/dbraw/zinc/06/67/83/388066783.db2.gz YQBMBPVWAWBYJN-GHMZBOCLSA-N 1 3 202.342 1.103 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cc1ccoc1 ZINC000423285739 388069965 /nfs/dbraw/zinc/06/99/65/388069965.db2.gz ZYIVDOCFYYMSNG-MNOVXSKESA-N 1 3 210.321 1.656 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CCO[C@@H](C)C1 ZINC000423288721 388072966 /nfs/dbraw/zinc/07/29/66/388072966.db2.gz UQTJQGSUMJYFGG-QWRGUYRKSA-N 1 3 214.353 1.661 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000084217628 388075177 /nfs/dbraw/zinc/07/51/77/388075177.db2.gz MJWVYQZVSVNYLY-ZIAGYGMSSA-N 1 3 218.344 1.946 20 0 BDADHO C[C@H]1CC[N@H+](CC(C)(C)N)CCS1 ZINC000261527571 135152371 /nfs/dbraw/zinc/15/23/71/135152371.db2.gz CWXRPSOBHLJUHY-VIFPVBQESA-N 1 3 202.367 1.551 20 0 BDADHO C[C@H]1CC[N@@H+](CC(C)(C)N)CCS1 ZINC000261527571 135152373 /nfs/dbraw/zinc/15/23/73/135152373.db2.gz CWXRPSOBHLJUHY-VIFPVBQESA-N 1 3 202.367 1.551 20 0 BDADHO Cc1ncc(CNCCCC[N@@H+](C)C2CC2)cn1 ZINC000453598477 388090273 /nfs/dbraw/zinc/09/02/73/388090273.db2.gz PJCAGLCZGIAMCB-UHFFFAOYSA-N 1 3 248.374 1.749 20 0 BDADHO Cc1ncc(CNCCCC[N@H+](C)C2CC2)cn1 ZINC000453598477 388090275 /nfs/dbraw/zinc/09/02/75/388090275.db2.gz PJCAGLCZGIAMCB-UHFFFAOYSA-N 1 3 248.374 1.749 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])C(C)C)C12CCC2 ZINC000423269073 388047180 /nfs/dbraw/zinc/04/71/80/388047180.db2.gz GZNIJLJAJLCHPU-YNEHKIRRSA-N 1 3 240.391 1.907 20 0 BDADHO CCC[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489480027 388215966 /nfs/dbraw/zinc/21/59/66/388215966.db2.gz PADGRNAUSWYYDK-SKDRFNHKSA-N 1 3 235.331 1.772 20 0 BDADHO CC(C)N1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000518192539 256561684 /nfs/dbraw/zinc/56/16/84/256561684.db2.gz OFCYHSIQCYBDQR-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO C[C@@H](CNCc1cnccc1N(C)C)[NH+](C)C ZINC000449558717 388231710 /nfs/dbraw/zinc/23/17/10/388231710.db2.gz ZMZRLTMTYRZMTB-NSHDSACASA-N 1 3 236.363 1.187 20 0 BDADHO C[C@@H](C[NH2+]Cc1cnccc1N(C)C)N(C)C ZINC000449558717 388231711 /nfs/dbraw/zinc/23/17/11/388231711.db2.gz ZMZRLTMTYRZMTB-NSHDSACASA-N 1 3 236.363 1.187 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)c2ccccc21 ZINC000315997616 388405053 /nfs/dbraw/zinc/40/50/53/388405053.db2.gz QDSIDPODUXGHTN-QLFBSQMISA-N 1 3 246.354 1.882 20 0 BDADHO FC1(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000572763128 388374756 /nfs/dbraw/zinc/37/47/56/388374756.db2.gz QHTAYDUHPSXONW-PHIMTYICSA-N 1 3 212.312 1.420 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236162141 388378068 /nfs/dbraw/zinc/37/80/68/388378068.db2.gz PGPCVGYIHMNPRY-ZYHUDNBSSA-N 1 3 208.349 1.894 20 0 BDADHO O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825890 388402823 /nfs/dbraw/zinc/40/28/23/388402823.db2.gz ZKZYZLBHTXXBIZ-MGPQQGTHSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825890 388402824 /nfs/dbraw/zinc/40/28/24/388402824.db2.gz ZKZYZLBHTXXBIZ-MGPQQGTHSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCc2cccnc2)C[C@H]1CN ZINC000397264854 388455542 /nfs/dbraw/zinc/45/55/42/388455542.db2.gz ISELQNXNDRMBPI-VNHYZAJKSA-N 1 3 247.386 1.929 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCc2cccnc2)C[C@H]1CN ZINC000397264854 388455545 /nfs/dbraw/zinc/45/55/45/388455545.db2.gz ISELQNXNDRMBPI-VNHYZAJKSA-N 1 3 247.386 1.929 20 0 BDADHO COCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397350024 388460980 /nfs/dbraw/zinc/46/09/80/388460980.db2.gz ZQSUFYQGTVFYBI-TUAOUCFPSA-N 1 3 214.353 1.328 20 0 BDADHO COCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397350024 388460981 /nfs/dbraw/zinc/46/09/81/388460981.db2.gz ZQSUFYQGTVFYBI-TUAOUCFPSA-N 1 3 214.353 1.328 20 0 BDADHO COCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397350024 388460982 /nfs/dbraw/zinc/46/09/82/388460982.db2.gz ZQSUFYQGTVFYBI-TUAOUCFPSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC2CCOCC2)C[C@@H]1CN ZINC000397486137 388474070 /nfs/dbraw/zinc/47/40/70/388474070.db2.gz UZXYSUQWDZDFKS-DYEKYZERSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC2CCOCC2)C[C@@H]1CN ZINC000397486137 388474073 /nfs/dbraw/zinc/47/40/73/388474073.db2.gz UZXYSUQWDZDFKS-DYEKYZERSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000134534969 388477400 /nfs/dbraw/zinc/47/74/00/388477400.db2.gz LGCQEHODKJERLN-WHOHXGKFSA-N 1 3 212.337 1.271 20 0 BDADHO c1cnn(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000135463297 388497966 /nfs/dbraw/zinc/49/79/66/388497966.db2.gz QGOBGIVUSXNGAD-UONOGXRCSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000135463297 388497970 /nfs/dbraw/zinc/49/79/70/388497970.db2.gz QGOBGIVUSXNGAD-UONOGXRCSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)c1 ZINC000135463297 388497972 /nfs/dbraw/zinc/49/79/72/388497972.db2.gz QGOBGIVUSXNGAD-UONOGXRCSA-N 1 3 248.374 1.490 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCC[C@H]1CN)OC ZINC000356335492 388548991 /nfs/dbraw/zinc/54/89/91/388548991.db2.gz NGVXLPHPZQUMFS-TUAOUCFPSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CS1 ZINC000397773850 388498219 /nfs/dbraw/zinc/49/82/19/388498219.db2.gz AGLUDGGQXYNYPL-RHYQMDGZSA-N 1 3 228.405 1.988 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CN1C1CC1 ZINC000344308493 388505896 /nfs/dbraw/zinc/50/58/96/388505896.db2.gz YTPAZAWHDNYXON-GXTWGEPZSA-N 1 3 249.402 1.463 20 0 BDADHO CN1CCC[C@H](C[NH2+][C@H]2CCCCC[C@H]2N)C1 ZINC000516861236 388520615 /nfs/dbraw/zinc/52/06/15/388520615.db2.gz CPCDAJXHDSDBES-MCIONIFRSA-N 1 3 239.407 1.578 20 0 BDADHO CN1CCC[C@H](C[NH2+][C@H]2CCCCC[C@@H]2N)C1 ZINC000516861238 388520775 /nfs/dbraw/zinc/52/07/75/388520775.db2.gz CPCDAJXHDSDBES-RDBSUJKOSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccccn1 ZINC000346981994 388522597 /nfs/dbraw/zinc/52/25/97/388522597.db2.gz MBOFANROWGPQQE-LBPRGKRZSA-N 1 3 249.358 1.189 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000352558860 388536890 /nfs/dbraw/zinc/53/68/90/388536890.db2.gz ZWVAIWNRMSQHGB-HZSPNIEDSA-N 1 3 240.391 1.754 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CCOC1(C)C ZINC000328193317 388586082 /nfs/dbraw/zinc/58/60/82/388586082.db2.gz BCXAJWTXWJLVRC-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328193317 388586083 /nfs/dbraw/zinc/58/60/83/388586083.db2.gz BCXAJWTXWJLVRC-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO C[NH+](C)CCCN[C@@H]1CCOC1(C)C ZINC000328208114 388586445 /nfs/dbraw/zinc/58/64/45/388586445.db2.gz IVPFELKQNQFXBX-SNVBAGLBSA-N 1 3 200.326 1.095 20 0 BDADHO C[C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CO1 ZINC000517566135 388553114 /nfs/dbraw/zinc/55/31/14/388553114.db2.gz NXYTWKRJTGMFEF-FZMZJTMJSA-N 1 3 238.375 1.628 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC000248436949 388680133 /nfs/dbraw/zinc/68/01/33/388680133.db2.gz SHSOXAKXSQBCLE-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC000248436949 388680135 /nfs/dbraw/zinc/68/01/35/388680135.db2.gz SHSOXAKXSQBCLE-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178813 388622166 /nfs/dbraw/zinc/62/21/66/388622166.db2.gz OBCCBQVVVNSLAT-BNOWGMLFSA-N 1 3 249.402 1.343 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CCCOC1)C1CNC1 ZINC000530208646 388626101 /nfs/dbraw/zinc/62/61/01/388626101.db2.gz GKCNQYGIVZEYAG-QWRGUYRKSA-N 1 3 212.337 1.001 20 0 BDADHO COCCC1CCN([C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000530212331 388626832 /nfs/dbraw/zinc/62/68/32/388626832.db2.gz QIRWIUCNFLERAK-NEPJUHHUSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCNC12CCC2)C1CCOCC1 ZINC000530221199 388632961 /nfs/dbraw/zinc/63/29/61/388632961.db2.gz OTNAFIFMJNTGMF-YPMHNXCESA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@H]1CCCO1 ZINC000251675602 388647980 /nfs/dbraw/zinc/64/79/80/388647980.db2.gz VJVWCDLRHLOOMC-WUHRBBMRSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CCN1C ZINC000246806303 388652250 /nfs/dbraw/zinc/65/22/50/388652250.db2.gz AJSCCWPJWGCKSV-FRRDWIJNSA-N 1 3 225.380 1.153 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000246831582 388652549 /nfs/dbraw/zinc/65/25/49/388652549.db2.gz BREAZFHGKSCXPY-XQQFMLRXSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)CN1CCCC1 ZINC000246946638 388655241 /nfs/dbraw/zinc/65/52/41/388655241.db2.gz HVGJPHPBMFMEEN-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)COC)C1 ZINC000247143995 388659594 /nfs/dbraw/zinc/65/95/94/388659594.db2.gz SNOQTMKNSNAEAM-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](C)COC)C1 ZINC000247143995 388659595 /nfs/dbraw/zinc/65/95/95/388659595.db2.gz SNOQTMKNSNAEAM-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)COC)C1 ZINC000247143995 388659597 /nfs/dbraw/zinc/65/95/97/388659597.db2.gz SNOQTMKNSNAEAM-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCN1CC[C@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000247252457 388660778 /nfs/dbraw/zinc/66/07/78/388660778.db2.gz ZBFONQGKCCCOEW-AAEUAGOBSA-N 1 3 236.363 1.240 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000249289078 388715371 /nfs/dbraw/zinc/71/53/71/388715371.db2.gz MCBKVEJMAGFNAQ-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988194 388778190 /nfs/dbraw/zinc/77/81/90/388778190.db2.gz IUDIVEWDQBUNEU-NEPJUHHUSA-N 1 3 214.353 1.330 20 0 BDADHO CCOCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228988194 388778195 /nfs/dbraw/zinc/77/81/95/388778195.db2.gz IUDIVEWDQBUNEU-NEPJUHHUSA-N 1 3 214.353 1.330 20 0 BDADHO CCOCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000228988194 388778197 /nfs/dbraw/zinc/77/81/97/388778197.db2.gz IUDIVEWDQBUNEU-NEPJUHHUSA-N 1 3 214.353 1.330 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2)CCN1C ZINC000129732244 388868272 /nfs/dbraw/zinc/86/82/72/388868272.db2.gz NWNMNMZTWHLIBD-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@@H]1CCC[C@H]1NC[C@]1(COC)CCC[NH2+]1 ZINC000564827802 388891860 /nfs/dbraw/zinc/89/18/60/388891860.db2.gz INSVDASERKJOPR-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000565775679 388968861 /nfs/dbraw/zinc/96/88/61/388968861.db2.gz NLOPNELJRSGHIW-WJTVCTBASA-N 1 3 244.354 1.609 20 0 BDADHO F[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000565480336 388945762 /nfs/dbraw/zinc/94/57/62/388945762.db2.gz CMVYSTMYFXBJRF-UTUOFQBUSA-N 1 3 214.328 1.999 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccco1 ZINC000565945505 388981034 /nfs/dbraw/zinc/98/10/34/388981034.db2.gz NMPISQNLJQTVQW-QWRGUYRKSA-N 1 3 210.321 1.928 20 0 BDADHO CSC[C@@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000565829143 388971865 /nfs/dbraw/zinc/97/18/65/388971865.db2.gz WPECAQSBQOUNNA-QWRGUYRKSA-N 1 3 248.436 1.276 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccncc1 ZINC000271085825 389017280 /nfs/dbraw/zinc/01/72/80/389017280.db2.gz TVFYYSBFGDFKQF-LBPRGKRZSA-N 1 3 249.358 1.189 20 0 BDADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cccnc1 ZINC000271890244 389026527 /nfs/dbraw/zinc/02/65/27/389026527.db2.gz RSUVGQHFFMNAGA-GFCCVEGCSA-N 1 3 231.343 1.994 20 0 BDADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cccnc1 ZINC000271890244 389026530 /nfs/dbraw/zinc/02/65/30/389026530.db2.gz RSUVGQHFFMNAGA-GFCCVEGCSA-N 1 3 231.343 1.994 20 0 BDADHO C[C@@H](NCCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491237 389033748 /nfs/dbraw/zinc/03/37/48/389033748.db2.gz NBQBNOSYYBXPDO-HIFRSBDPSA-N 1 3 248.370 1.479 20 0 BDADHO C[C@@H](NCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491237 389033751 /nfs/dbraw/zinc/03/37/51/389033751.db2.gz NBQBNOSYYBXPDO-HIFRSBDPSA-N 1 3 248.370 1.479 20 0 BDADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000261596879 533365111 /nfs/dbraw/zinc/36/51/11/533365111.db2.gz ZAWUGJVUASMIOZ-CHWSQXEVSA-N 1 3 224.348 1.241 20 0 BDADHO C[C@@H](CF)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297491396 132221511 /nfs/dbraw/zinc/22/15/11/132221511.db2.gz TZBOATLMRCMOKK-NSHDSACASA-N 1 3 237.322 1.998 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]CC1=CCN(C)CC1 ZINC000347481803 133838770 /nfs/dbraw/zinc/83/87/70/133838770.db2.gz ACXGFGNFLYYICX-LBPRGKRZSA-N 1 3 234.347 1.123 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)C(C)(C)N)cc1 ZINC000336092122 134078853 /nfs/dbraw/zinc/07/88/53/134078853.db2.gz PHTFEODQNYVOEQ-QMMMGPOBSA-N 1 3 221.304 1.382 20 0 BDADHO C[N@H+](CCCN1CCCCC1)[C@H]1CCCOC1 ZINC000352186142 134099429 /nfs/dbraw/zinc/09/94/29/134099429.db2.gz JHTJCFOBFUVANV-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[N@@H+](CCCN1CCCCC1)[C@H]1CCCOC1 ZINC000352186142 134099430 /nfs/dbraw/zinc/09/94/30/134099430.db2.gz JHTJCFOBFUVANV-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000300709351 134229209 /nfs/dbraw/zinc/22/92/09/134229209.db2.gz DBAZOTKVHURXEQ-IACUBPJLSA-N 1 3 242.407 1.904 20 0 BDADHO c1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000168699427 134242699 /nfs/dbraw/zinc/24/26/99/134242699.db2.gz LGSDUXIOGIZAPE-AWEZNQCLSA-N 1 3 218.344 1.961 20 0 BDADHO c1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000168699427 134242700 /nfs/dbraw/zinc/24/27/00/134242700.db2.gz LGSDUXIOGIZAPE-AWEZNQCLSA-N 1 3 218.344 1.961 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCCC1(C)C ZINC000219310089 134281226 /nfs/dbraw/zinc/28/12/26/134281226.db2.gz HKINSNSHZYJJJG-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CN1CCC[C@H]1CC[NH+]1CCC(C)(O)CC1 ZINC000179255261 134319173 /nfs/dbraw/zinc/31/91/73/134319173.db2.gz BLTASFVXFXYGRK-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO c1ncc(CN2CCC(C[NH+]3CCCC3)CC2)[nH]1 ZINC000180123873 134323321 /nfs/dbraw/zinc/32/33/21/134323321.db2.gz QUSHLMQLMIWDOK-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO [NH3+]C1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000223645491 134341011 /nfs/dbraw/zinc/34/10/11/134341011.db2.gz XJFLGQCGXYEVIU-LBPRGKRZSA-N 1 3 212.337 1.369 20 0 BDADHO CCN(CC[NH2+]C1CCN(C)CC1)C1CC1 ZINC000225130306 134351107 /nfs/dbraw/zinc/35/11/07/134351107.db2.gz HPFMCYKIFPIVRI-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)OCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000224989500 134352196 /nfs/dbraw/zinc/35/21/96/134352196.db2.gz XNZGBETVCPVEQX-STQMWFEESA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335644680 134851964 /nfs/dbraw/zinc/85/19/64/134851964.db2.gz XHNNNMJTVOQMFI-FZMZJTMJSA-N 1 3 237.391 1.343 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248439412 135009699 /nfs/dbraw/zinc/00/96/99/135009699.db2.gz UCXHGHSCVIZLOD-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248439412 135009701 /nfs/dbraw/zinc/00/97/01/135009701.db2.gz UCXHGHSCVIZLOD-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCCCOCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249848603 135045861 /nfs/dbraw/zinc/04/58/61/135045861.db2.gz IDMIUYIQHQEQPD-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO CCN(C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250087509 135049424 /nfs/dbraw/zinc/04/94/24/135049424.db2.gz VYFCIXVTBBAKCF-OLZOCXBDSA-N 1 3 225.380 1.155 20 0 BDADHO CCN(C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250087509 135049425 /nfs/dbraw/zinc/04/94/25/135049425.db2.gz VYFCIXVTBBAKCF-OLZOCXBDSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251068970 135061950 /nfs/dbraw/zinc/06/19/50/135061950.db2.gz FAHIOKOCLKYBRN-UMSGYPCISA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CN(C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251135234 135065575 /nfs/dbraw/zinc/06/55/75/135065575.db2.gz VFEZPABTLHQQFR-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN(C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251135234 135065578 /nfs/dbraw/zinc/06/55/78/135065578.db2.gz VFEZPABTLHQQFR-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccc(Cl)cc1 ZINC000086435467 135084577 /nfs/dbraw/zinc/08/45/77/135084577.db2.gz RLTUQXKFCGPFOA-UHFFFAOYSA-N 1 3 242.750 1.747 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CCO1 ZINC000252186830 135086778 /nfs/dbraw/zinc/08/67/78/135086778.db2.gz UKGFSANMQHMMEW-SYQHCUMBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000252186830 135086779 /nfs/dbraw/zinc/08/67/79/135086779.db2.gz UKGFSANMQHMMEW-SYQHCUMBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000252186830 135086780 /nfs/dbraw/zinc/08/67/80/135086780.db2.gz UKGFSANMQHMMEW-SYQHCUMBSA-N 1 3 238.375 1.770 20 0 BDADHO COCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500487 135088320 /nfs/dbraw/zinc/08/83/20/135088320.db2.gz IHYPBBQQEGLNNX-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO CCCCOCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000252697884 135098661 /nfs/dbraw/zinc/09/86/61/135098661.db2.gz JYSOKKVUVOIJRY-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C)[C@H](C)C1 ZINC000252713130 135100489 /nfs/dbraw/zinc/10/04/89/135100489.db2.gz OKJUPXFJWPLMJC-AGIUHOORSA-N 1 3 227.396 1.256 20 0 BDADHO CCCCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252871724 135113906 /nfs/dbraw/zinc/11/39/06/135113906.db2.gz SZDAQJWGADSQOH-MELADBBJSA-N 1 3 240.391 1.862 20 0 BDADHO CN(CC(C)(C)C[NH3+])C(=O)C1(N)CCCCC1 ZINC000262469418 135118961 /nfs/dbraw/zinc/11/89/61/135118961.db2.gz ZHENIKIBBALOQS-UHFFFAOYSA-N 1 3 241.379 1.091 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CSCCS1 ZINC000253036919 135120007 /nfs/dbraw/zinc/12/00/07/135120007.db2.gz XTBGDNCUMRMMET-DCAQKATOSA-N 1 3 246.445 1.552 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253200555 135124752 /nfs/dbraw/zinc/12/47/52/135124752.db2.gz XCDVJGXIZSTOCN-SDDRHHMPSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253200555 135124753 /nfs/dbraw/zinc/12/47/53/135124753.db2.gz XCDVJGXIZSTOCN-SDDRHHMPSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253200555 135124754 /nfs/dbraw/zinc/12/47/54/135124754.db2.gz XCDVJGXIZSTOCN-SDDRHHMPSA-N 1 3 214.353 1.328 20 0 BDADHO CCc1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000258821880 135134672 /nfs/dbraw/zinc/13/46/72/135134672.db2.gz UKJLFUJQGDSKCX-NSHDSACASA-N 1 3 206.333 1.933 20 0 BDADHO Cc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000257647284 135137379 /nfs/dbraw/zinc/13/73/79/135137379.db2.gz CLEWYWZQYVJJPN-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO C([C@H]1CCCOC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257741630 135141028 /nfs/dbraw/zinc/14/10/28/135141028.db2.gz YZNVDTSEKMVKHY-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527388 135150773 /nfs/dbraw/zinc/15/07/73/135150773.db2.gz ALGJTEJIFNXTPV-WDEREUQCSA-N 1 3 214.378 1.410 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527388 135150774 /nfs/dbraw/zinc/15/07/74/135150774.db2.gz ALGJTEJIFNXTPV-WDEREUQCSA-N 1 3 214.378 1.410 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000261527388 135150775 /nfs/dbraw/zinc/15/07/75/135150775.db2.gz ALGJTEJIFNXTPV-WDEREUQCSA-N 1 3 214.378 1.410 20 0 BDADHO C1CC([NH2+][C@H]2CC3CCC2CC3)CCN1 ZINC000261528494 135153715 /nfs/dbraw/zinc/15/37/15/135153715.db2.gz PKZRKXXSJWYSMY-XIVSLSHWSA-N 1 3 208.349 1.907 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1C[C@H]1CCSC1 ZINC000261531307 135160383 /nfs/dbraw/zinc/16/03/83/135160383.db2.gz GBLFIPOKBVGAII-VXGBXAGGSA-N 1 3 228.405 1.943 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1C[C@H]1CCSC1 ZINC000261531307 135160385 /nfs/dbraw/zinc/16/03/85/135160385.db2.gz GBLFIPOKBVGAII-VXGBXAGGSA-N 1 3 228.405 1.943 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)NC1Cc2ccccc2C1 ZINC000261532659 135163266 /nfs/dbraw/zinc/16/32/66/135163266.db2.gz KCIZPKRVQNPWSE-ZJUUUORDSA-N 1 3 204.317 1.479 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]2CC[NH2+]C2)C1(C)C ZINC000261534286 135166894 /nfs/dbraw/zinc/16/68/94/135166894.db2.gz PJTXGJAXWGCHOK-SDDRHHMPSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@@H](C)C[N@H+](C[C@H]1CCCNC1)C(C)C ZINC000261534267 135167191 /nfs/dbraw/zinc/16/71/91/135167191.db2.gz PCZDBOYFENGHLZ-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@@H](C)C[N@@H+](C[C@H]1CCCNC1)C(C)C ZINC000261534267 135167193 /nfs/dbraw/zinc/16/71/93/135167193.db2.gz PCZDBOYFENGHLZ-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@@H](C)CN(C[C@H]1CCC[NH2+]C1)C(C)C ZINC000261534267 135167194 /nfs/dbraw/zinc/16/71/94/135167194.db2.gz PCZDBOYFENGHLZ-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CSC[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261539268 135177704 /nfs/dbraw/zinc/17/77/04/135177704.db2.gz BZNSXUIEKIOBLO-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO CSC[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261539268 135177705 /nfs/dbraw/zinc/17/77/05/135177705.db2.gz BZNSXUIEKIOBLO-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261544687 135186068 /nfs/dbraw/zinc/18/60/68/135186068.db2.gz YTTYLMAJYFGYSP-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC000261548896 135187755 /nfs/dbraw/zinc/18/77/55/135187755.db2.gz OAOPSRSJSOXDDF-GXTWGEPZSA-N 1 3 233.359 1.198 20 0 BDADHO C[C@H]1C[C@@H](NCC[NH3+])CN1Cc1ccccc1 ZINC000261548896 135187757 /nfs/dbraw/zinc/18/77/57/135187757.db2.gz OAOPSRSJSOXDDF-GXTWGEPZSA-N 1 3 233.359 1.198 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215649 135192026 /nfs/dbraw/zinc/19/20/26/135192026.db2.gz QHZLLDGSUBSZRG-SRVKXCTJSA-N 1 3 212.337 1.273 20 0 BDADHO Cc1cnn(CCN2CCCC[C@@H]2CC[NH3+])c1 ZINC000261552898 135192324 /nfs/dbraw/zinc/19/23/24/135192324.db2.gz NLKJCPWDJGAKDO-CYBMUJFWSA-N 1 3 236.363 1.395 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)[C@H]1CCCO1 ZINC000084218353 135192489 /nfs/dbraw/zinc/19/24/89/135192489.db2.gz ORCZWONGARIJRY-IRCOFANPSA-N 1 3 212.337 1.271 20 0 BDADHO CC(C)COCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000084218184 135192543 /nfs/dbraw/zinc/19/25/43/135192543.db2.gz DSZGUPLDUBHZSE-OLZOCXBDSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@H]1CSCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261553206 135192726 /nfs/dbraw/zinc/19/27/26/135192726.db2.gz SIUKBTOPRKZUDD-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216990 135193295 /nfs/dbraw/zinc/19/32/95/135193295.db2.gz XFKHZQORYUWMIY-IJLUTSLNSA-N 1 3 214.353 1.519 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccccc3)C[C@@H]12 ZINC000261558206 135198763 /nfs/dbraw/zinc/19/87/63/135198763.db2.gz CZMBIXKLBILUPF-NWANDNLSSA-N 1 3 246.354 1.735 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000261596820 135235726 /nfs/dbraw/zinc/23/57/26/135235726.db2.gz YXXWHIGHEYKVOE-VOAKCMCISA-N 1 3 226.364 1.255 20 0 BDADHO NC[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261595780 135236169 /nfs/dbraw/zinc/23/61/69/135236169.db2.gz YLVXPRZFJUJMTH-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261595780 135236170 /nfs/dbraw/zinc/23/61/70/135236170.db2.gz YLVXPRZFJUJMTH-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@H]1CCCN(CC[C@H]2CCOC2)C1 ZINC000261595780 135236172 /nfs/dbraw/zinc/23/61/72/135236172.db2.gz YLVXPRZFJUJMTH-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@@H]1CCOC1 ZINC000261598023 135236571 /nfs/dbraw/zinc/23/65/71/135236571.db2.gz ZIQAQOVCWOCWCQ-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@@H]1CCOC1 ZINC000261598023 135236572 /nfs/dbraw/zinc/23/65/72/135236572.db2.gz ZIQAQOVCWOCWCQ-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO CCc1ccc([C@@H]2CNCCN2C[C@H](C)[NH3+])cc1 ZINC000261689190 135245930 /nfs/dbraw/zinc/24/59/30/135245930.db2.gz IXSCBVLSUWFLKL-WFASDCNBSA-N 1 3 247.386 1.543 20 0 BDADHO C[C@@]1(C[NH3+])CCN(Cc2cccc3c2NCC3)C1 ZINC000261821831 135255260 /nfs/dbraw/zinc/25/52/60/135255260.db2.gz XZSRQJUCXCZVFC-HNNXBMFYSA-N 1 3 245.370 1.825 20 0 BDADHO C[C@@]1(CN)CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261821831 135255261 /nfs/dbraw/zinc/25/52/61/135255261.db2.gz XZSRQJUCXCZVFC-HNNXBMFYSA-N 1 3 245.370 1.825 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261821831 135255263 /nfs/dbraw/zinc/25/52/63/135255263.db2.gz XZSRQJUCXCZVFC-HNNXBMFYSA-N 1 3 245.370 1.825 20 0 BDADHO COC[C@H]1CCCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261825204 135256254 /nfs/dbraw/zinc/25/62/54/135256254.db2.gz IPVDXDZERZZACS-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@H]1CCCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261825204 135256255 /nfs/dbraw/zinc/25/62/55/135256255.db2.gz IPVDXDZERZZACS-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@]1(CN2CC[C@@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882892 135259855 /nfs/dbraw/zinc/25/98/55/135259855.db2.gz RINBNJCQOCZPQN-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO CNCc1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262009936 135272442 /nfs/dbraw/zinc/27/24/42/135272442.db2.gz BWAPFUAKUKZEHW-SNVBAGLBSA-N 1 3 247.342 1.200 20 0 BDADHO CCOC[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262044561 135275667 /nfs/dbraw/zinc/27/56/67/135275667.db2.gz PNRVUJZZESORPO-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@@H](C2CC2)C1 ZINC000262048857 135275692 /nfs/dbraw/zinc/27/56/92/135275692.db2.gz ZJUJMLVBIQROOB-CYBMUJFWSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@H](O)C[C@@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262100133 135278775 /nfs/dbraw/zinc/27/87/75/135278775.db2.gz VMROVTRTOHFYGP-RWMBFGLXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)CN)c1ccccc1 ZINC000262638698 135310465 /nfs/dbraw/zinc/31/04/65/135310465.db2.gz JHQHITUAYMSLFJ-LLVKDONJSA-N 1 3 249.358 1.191 20 0 BDADHO COc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147335 135532437 /nfs/dbraw/zinc/53/24/37/135532437.db2.gz OLFGNJKRKJXQKB-TZMCWYRMSA-N 1 3 234.343 1.912 20 0 BDADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955596 135849978 /nfs/dbraw/zinc/84/99/78/135849978.db2.gz MCRFHUXTSVSVLQ-GXFFZTMASA-N 1 3 247.342 1.472 20 0 BDADHO Cc1cc(N)cc(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000335241883 135985115 /nfs/dbraw/zinc/98/51/15/135985115.db2.gz QDKFQUPDSKIUJS-AWEZNQCLSA-N 1 3 233.359 1.809 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348305173 136065448 /nfs/dbraw/zinc/06/54/48/136065448.db2.gz NXFCULNSBARIEQ-OLZOCXBDSA-N 1 3 242.407 1.979 20 0 BDADHO CO[C@@H](C)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571676 136109795 /nfs/dbraw/zinc/10/97/95/136109795.db2.gz ZNIKERQHRUTZGJ-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO CO[C@@H](C)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335571676 136109796 /nfs/dbraw/zinc/10/97/96/136109796.db2.gz ZNIKERQHRUTZGJ-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO C[C@@H]1[C@@H](C)[N@H+](C[C@H]2CCCN2C)CCN1C ZINC000649573198 397965174 /nfs/dbraw/zinc/96/51/74/397965174.db2.gz XIVZMWRSPDPRRD-JHJVBQTASA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@H]1[C@@H](C)[N@@H+](C[C@H]2CCCN2C)CCN1C ZINC000649573198 397965177 /nfs/dbraw/zinc/96/51/77/397965177.db2.gz XIVZMWRSPDPRRD-JHJVBQTASA-N 1 3 225.380 1.105 20 0 BDADHO COCCOCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623376555 397956874 /nfs/dbraw/zinc/95/68/74/397956874.db2.gz YBVBUQAWPYKQOD-GFCCVEGCSA-N 1 3 244.379 1.112 20 0 BDADHO COCCOCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376555 397956878 /nfs/dbraw/zinc/95/68/78/397956878.db2.gz YBVBUQAWPYKQOD-GFCCVEGCSA-N 1 3 244.379 1.112 20 0 BDADHO C[NH2+]CCCN(C)[C@@H](C)CCSC ZINC000156881676 397926275 /nfs/dbraw/zinc/92/62/75/397926275.db2.gz QIDCASRMYHIWKQ-JTQLQIEISA-N 1 3 204.383 1.669 20 0 BDADHO CNCCC[N@H+](C)[C@@H](C)CCSC ZINC000156881676 397926280 /nfs/dbraw/zinc/92/62/80/397926280.db2.gz QIDCASRMYHIWKQ-JTQLQIEISA-N 1 3 204.383 1.669 20 0 BDADHO CNCCC[N@@H+](C)[C@@H](C)CCSC ZINC000156881676 397926282 /nfs/dbraw/zinc/92/62/82/397926282.db2.gz QIDCASRMYHIWKQ-JTQLQIEISA-N 1 3 204.383 1.669 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)CN1CCCC1 ZINC000120311884 397996032 /nfs/dbraw/zinc/99/60/32/397996032.db2.gz YLYPPTXFQGVXON-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](CN[C@@H]1CCO[C@@H]1C)C[NH+]1CCCC1 ZINC000120311884 397996036 /nfs/dbraw/zinc/99/60/36/397996036.db2.gz YLYPPTXFQGVXON-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)C[C@H](C)N1C ZINC000649618612 398004532 /nfs/dbraw/zinc/00/45/32/398004532.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)C[C@H](C)N1C ZINC000649618612 398004536 /nfs/dbraw/zinc/00/45/36/398004536.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C)C[C@H](C)N1C ZINC000649618612 398004539 /nfs/dbraw/zinc/00/45/39/398004539.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCCN2C)C[C@H](C)N1C ZINC000649618612 398004542 /nfs/dbraw/zinc/00/45/42/398004542.db2.gz GBEBBBLNBHBPRG-FRRDWIJNSA-N 1 3 225.380 1.105 20 0 BDADHO CCCN(CC(=O)OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676559 398014751 /nfs/dbraw/zinc/01/47/51/398014751.db2.gz VGXBZNLFJXOUME-NEPJUHHUSA-N 1 3 242.363 1.260 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000637807865 398024138 /nfs/dbraw/zinc/02/41/38/398024138.db2.gz PVTPZOQMMUOHCV-JTQLQIEISA-N 1 3 235.331 1.343 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCSC1)[C@@H]1CCCNC1 ZINC000414826314 398048150 /nfs/dbraw/zinc/04/81/50/398048150.db2.gz VKXYNGYQWWFFLD-QJPTWQEYSA-N 1 3 228.405 1.717 20 0 BDADHO CC[C@H]1CN(Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000647934804 398034343 /nfs/dbraw/zinc/03/43/43/398034343.db2.gz REJIQZRGBQEURW-JSGCOSHPSA-N 1 3 233.359 1.828 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCOC1 ZINC000397229569 398054928 /nfs/dbraw/zinc/05/49/28/398054928.db2.gz PTFPACQKMGITOB-QJPTWQEYSA-N 1 3 212.337 1.273 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414979678 398134617 /nfs/dbraw/zinc/13/46/17/398134617.db2.gz OGLPLPZFHLDHIF-LLVKDONJSA-N 1 3 218.304 1.390 20 0 BDADHO CC(C)COC1CCN(CCOCC[NH3+])CC1 ZINC000357071948 167023411 /nfs/dbraw/zinc/02/34/11/167023411.db2.gz CTPXSTZRXKMDOV-UHFFFAOYSA-N 1 3 244.379 1.099 20 0 BDADHO CC(C)OCCCN1CC[C@@H](C[NH3+])C1 ZINC000011891421 167217111 /nfs/dbraw/zinc/21/71/11/167217111.db2.gz QXXFQZKFHFWZJP-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO C([NH2+]C1CSC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000668819272 487587638 /nfs/dbraw/zinc/58/76/38/487587638.db2.gz NPIFEQDEGDRGCC-LBPRGKRZSA-N 1 3 240.416 1.813 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)C1 ZINC000300376565 487591772 /nfs/dbraw/zinc/59/17/72/487591772.db2.gz LMWXXQQTELARQU-USZNOCQGSA-N 1 3 212.337 1.007 20 0 BDADHO COCC[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000532291114 487601900 /nfs/dbraw/zinc/60/19/00/487601900.db2.gz HYHXUJUGUIIRMQ-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@@H](C)[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000532291114 487601905 /nfs/dbraw/zinc/60/19/05/487601905.db2.gz HYHXUJUGUIIRMQ-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000532291114 487601907 /nfs/dbraw/zinc/60/19/07/487601907.db2.gz HYHXUJUGUIIRMQ-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO c1csc(CNCCC[C@@H]2CCC[NH2+]2)n1 ZINC000308975734 487603667 /nfs/dbraw/zinc/60/36/67/487603667.db2.gz GOIYUSLENFKYBF-SNVBAGLBSA-N 1 3 225.361 1.765 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@@H](CN)C1)C1CCCCC1 ZINC000662245202 409538065 /nfs/dbraw/zinc/53/80/65/409538065.db2.gz IUFBYQCEIWSFQB-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@@H](CN)C1)C1CCCCC1 ZINC000662245202 409538076 /nfs/dbraw/zinc/53/80/76/409538076.db2.gz IUFBYQCEIWSFQB-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](CN1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662245202 409538086 /nfs/dbraw/zinc/53/80/86/409538086.db2.gz IUFBYQCEIWSFQB-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CN(Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248690 409548753 /nfs/dbraw/zinc/54/87/53/409548753.db2.gz AVOZISITIUXIDV-AWEZNQCLSA-N 1 3 246.354 1.639 20 0 BDADHO CN(Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248691 409548937 /nfs/dbraw/zinc/54/89/37/409548937.db2.gz AVOZISITIUXIDV-CQSZACIVSA-N 1 3 246.354 1.639 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CCC2(CCC2)C1 ZINC000662255363 409551503 /nfs/dbraw/zinc/55/15/03/409551503.db2.gz OUOPRXKJMGEWIK-LBPRGKRZSA-N 1 3 236.359 1.383 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1CCC2(CCC2)C1 ZINC000662255363 409551514 /nfs/dbraw/zinc/55/15/14/409551514.db2.gz OUOPRXKJMGEWIK-LBPRGKRZSA-N 1 3 236.359 1.383 20 0 BDADHO CCc1nocc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662274684 409583989 /nfs/dbraw/zinc/58/39/89/409583989.db2.gz WDYKOFFGWSOAHK-TXEJJXNPSA-N 1 3 249.358 1.668 20 0 BDADHO c1ccc2c(c1)CNCCN2C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000663495485 410274550 /nfs/dbraw/zinc/27/45/50/410274550.db2.gz YFTSUELNMQBVIC-HIFRSBDPSA-N 1 3 243.354 1.206 20 0 BDADHO C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709775 410340685 /nfs/dbraw/zinc/34/06/85/410340685.db2.gz PYNIRNBBBGPSTE-RNJOBUHISA-N 1 3 208.349 1.703 20 0 BDADHO C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709775 410340689 /nfs/dbraw/zinc/34/06/89/410340689.db2.gz PYNIRNBBBGPSTE-RNJOBUHISA-N 1 3 208.349 1.703 20 0 BDADHO [NH3+]CC1(CCNCc2cscn2)CC1 ZINC000650712572 410341640 /nfs/dbraw/zinc/34/16/40/410341640.db2.gz KVUWWVHAKCHTRL-UHFFFAOYSA-N 1 3 211.334 1.362 20 0 BDADHO [NH3+]CC1(CCNCc2ccccn2)CC1 ZINC000650712190 410342803 /nfs/dbraw/zinc/34/28/03/410342803.db2.gz VMIOMKGONQSFDM-UHFFFAOYSA-N 1 3 205.305 1.300 20 0 BDADHO Cn1ccnc1[C@@H](NCCC1(C[NH3+])CC1)C1CC1 ZINC000650745779 410383208 /nfs/dbraw/zinc/38/32/08/410383208.db2.gz NQHOIKYGDGCDGA-LBPRGKRZSA-N 1 3 248.374 1.590 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1cc2n(n1)CCC2 ZINC000650748461 410390207 /nfs/dbraw/zinc/39/02/07/410390207.db2.gz UVZBOHQTNTYCED-NSHDSACASA-N 1 3 248.374 1.609 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000309282708 410712534 /nfs/dbraw/zinc/71/25/34/410712534.db2.gz UEUZFLJYBRSRHB-VXGBXAGGSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000309282708 410712541 /nfs/dbraw/zinc/71/25/41/410712541.db2.gz UEUZFLJYBRSRHB-VXGBXAGGSA-N 1 3 228.380 1.419 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(N)c1 ZINC000665232937 410724786 /nfs/dbraw/zinc/72/47/86/410724786.db2.gz YBINCJXNKAFNAZ-BPNCWPANSA-N 1 3 249.358 1.111 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)n1 ZINC000665274077 410743420 /nfs/dbraw/zinc/74/34/20/410743420.db2.gz JHADMQWUSDVKTB-TZMCWYRMSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cncc(CCN[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000665274077 410743424 /nfs/dbraw/zinc/74/34/24/410743424.db2.gz JHADMQWUSDVKTB-TZMCWYRMSA-N 1 3 248.374 1.435 20 0 BDADHO CO[C@H](C)[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280569 410755738 /nfs/dbraw/zinc/75/57/38/410755738.db2.gz GLYINBLMFUCLAD-HBNTYKKESA-N 1 3 202.342 1.373 20 0 BDADHO C[C@H](C1CC1)N(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000393735458 410757880 /nfs/dbraw/zinc/75/78/80/410757880.db2.gz BFOYMYFJJKCXTQ-GHMZBOCLSA-N 1 3 208.349 1.859 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000393952844 410772061 /nfs/dbraw/zinc/77/20/61/410772061.db2.gz QVWZUXRWDWVGIJ-IJLUTSLNSA-N 1 3 212.337 1.271 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680192 410933409 /nfs/dbraw/zinc/93/34/09/410933409.db2.gz ZWEYAFPANNEDCE-WCQYABFASA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680193 410933766 /nfs/dbraw/zinc/93/37/66/410933766.db2.gz ZWEYAFPANNEDCE-YPMHNXCESA-N 1 3 243.395 1.350 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@@H]1CN(C)C[C@@H]1C ZINC000651865665 411148129 /nfs/dbraw/zinc/14/81/29/411148129.db2.gz CPUZCZURDWCWFF-UONOGXRCSA-N 1 3 241.423 1.504 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@@H]1CN(C)C[C@@H]1C ZINC000651865665 411148130 /nfs/dbraw/zinc/14/81/30/411148130.db2.gz CPUZCZURDWCWFF-UONOGXRCSA-N 1 3 241.423 1.504 20 0 BDADHO CCC(C)(C)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000655947689 411161210 /nfs/dbraw/zinc/16/12/10/411161210.db2.gz VPHCGNQBRCHPMR-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO Cc1ncc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000400995668 411168284 /nfs/dbraw/zinc/16/82/84/411168284.db2.gz IQHHZJHJIRFEEI-IJLUTSLNSA-N 1 3 235.331 1.461 20 0 BDADHO COC[C@@H](NCCC[N@H+](C)CC(C)C)C1CC1 ZINC000652221974 411175779 /nfs/dbraw/zinc/17/57/79/411175779.db2.gz BCWRHCRBDCUXOX-CQSZACIVSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](NCCC[N@@H+](C)CC(C)C)C1CC1 ZINC000652221974 411175780 /nfs/dbraw/zinc/17/57/80/411175780.db2.gz BCWRHCRBDCUXOX-CQSZACIVSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H]([NH2+]CCCN(C)CC(C)C)C1CC1 ZINC000652221974 411175783 /nfs/dbraw/zinc/17/57/83/411175783.db2.gz BCWRHCRBDCUXOX-CQSZACIVSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H](Cc1ccccn1)NC1CC[NH2+]CC1 ZINC000656193610 411199975 /nfs/dbraw/zinc/19/99/75/411199975.db2.gz OUVIEAVIYXZDTM-NSHDSACASA-N 1 3 219.332 1.354 20 0 BDADHO C[C@@H](Cc1ccccn1)[NH2+]C1CCNCC1 ZINC000656193610 411199976 /nfs/dbraw/zinc/19/99/76/411199976.db2.gz OUVIEAVIYXZDTM-NSHDSACASA-N 1 3 219.332 1.354 20 0 BDADHO Cc1cnc(CCN[C@@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000656199658 411203207 /nfs/dbraw/zinc/20/32/07/411203207.db2.gz ACQOSOHBIYDALO-STQMWFEESA-N 1 3 235.375 1.956 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H](C)C[C@H](C)N)c(C)c1 ZINC000656199658 411203208 /nfs/dbraw/zinc/20/32/08/411203208.db2.gz ACQOSOHBIYDALO-STQMWFEESA-N 1 3 235.375 1.956 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656199858 411204387 /nfs/dbraw/zinc/20/43/87/411204387.db2.gz AJUDAMUXWWYKJY-QCNOEVLYSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CCCC[C@H]1O ZINC000652341161 411206087 /nfs/dbraw/zinc/20/60/87/411206087.db2.gz LKOMEWHYVIFODX-DHGKCCLASA-N 1 3 240.391 1.514 20 0 BDADHO CCN(CC[NH2+][C@H]1CCCCC[C@H]1N)C(C)C ZINC000422883829 411233951 /nfs/dbraw/zinc/23/39/51/411233951.db2.gz VRFNWXHDOFNGTP-KGLIPLIRSA-N 1 3 241.423 1.966 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)[C@@H](C)O1 ZINC000423193759 411238278 /nfs/dbraw/zinc/23/82/78/411238278.db2.gz WFAXEEYSKBQQRS-SYLRKERUSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CCOC1 ZINC000396726908 411240778 /nfs/dbraw/zinc/24/07/78/411240778.db2.gz ZDZBJCQGKAGLHE-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO C[NH+](C)CC1CCN(Cc2ccc(N)nc2)CC1 ZINC000050815607 411265969 /nfs/dbraw/zinc/26/59/69/411265969.db2.gz HOTPDMPHERVQQB-UHFFFAOYSA-N 1 3 248.374 1.437 20 0 BDADHO CC(C)(C)[C@H](N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457225 411266312 /nfs/dbraw/zinc/26/63/12/411266312.db2.gz TUMPKXJWLARLDT-LLVKDONJSA-N 1 3 237.351 1.249 20 0 BDADHO CCCCN(CCOC)C[C@H]1CC[NH2+]C1 ZINC000309840487 411268182 /nfs/dbraw/zinc/26/81/82/411268182.db2.gz OOUHLQGDZIEIPF-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO C[C@H](CNC[C@@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783969 411361238 /nfs/dbraw/zinc/36/12/38/411361238.db2.gz WXRSRTMXUOKTBK-OCCSQVGLSA-N 1 3 233.359 1.774 20 0 BDADHO COCC(C)(C)CNCC1([NH3+])CCCC1 ZINC000656788984 411368784 /nfs/dbraw/zinc/36/87/84/411368784.db2.gz HQVRPMHPCPAFKO-UHFFFAOYSA-N 1 3 214.353 1.520 20 0 BDADHO CC(C)([NH3+])CNc1ccc([C@@H]2CNCCO2)cc1 ZINC000656791396 411370467 /nfs/dbraw/zinc/37/04/67/411370467.db2.gz FDZSXRMKWNKMFT-ZDUSSCGKSA-N 1 3 249.358 1.497 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000656791610 411370554 /nfs/dbraw/zinc/37/05/54/411370554.db2.gz IINJFQVVANAQJC-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000063195722 411347671 /nfs/dbraw/zinc/34/76/71/411347671.db2.gz IGJHLVAFQFHWMU-AVGNSLFASA-N 1 3 226.364 1.757 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000063195722 411347673 /nfs/dbraw/zinc/34/76/73/411347673.db2.gz IGJHLVAFQFHWMU-AVGNSLFASA-N 1 3 226.364 1.757 20 0 BDADHO C[C@H](O)CCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665073 411376857 /nfs/dbraw/zinc/37/68/57/411376857.db2.gz TZMVRWAJJYYAOP-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](O)CCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665073 411376861 /nfs/dbraw/zinc/37/68/61/411376861.db2.gz TZMVRWAJJYYAOP-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CO1 ZINC000657295704 411454862 /nfs/dbraw/zinc/45/48/62/411454862.db2.gz JRDJXCXRVRHRIL-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@H]1C[C@@H](NCCC[NH+]2CCCC2)CO1 ZINC000657295704 411454863 /nfs/dbraw/zinc/45/48/63/411454863.db2.gz JRDJXCXRVRHRIL-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346285346 168301554 /nfs/dbraw/zinc/30/15/54/168301554.db2.gz YNSWBCDCQLWJRW-WDEREUQCSA-N 1 3 243.395 1.219 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H](C)C[NH+]2CCCC2)CO1 ZINC000657319214 411460698 /nfs/dbraw/zinc/46/06/98/411460698.db2.gz VMPAKQLEIYFMCQ-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CCCC2)CO1 ZINC000657319214 411460701 /nfs/dbraw/zinc/46/07/01/411460701.db2.gz VMPAKQLEIYFMCQ-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+]CCCN1CCC2(CC2(F)F)CC1 ZINC000405114073 411417692 /nfs/dbraw/zinc/41/76/92/411417692.db2.gz QKXCVHGFBKPTPZ-UHFFFAOYSA-N 1 3 204.264 1.456 20 0 BDADHO CN1CCC[C@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657358770 411476346 /nfs/dbraw/zinc/47/63/46/411476346.db2.gz NMJGXNVQEJHPHL-GFCCVEGCSA-N 1 3 248.374 1.261 20 0 BDADHO CC(C)C[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000307846066 411487122 /nfs/dbraw/zinc/48/71/22/411487122.db2.gz QVBRORXLJGKIGA-OLZOCXBDSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000307846067 411487241 /nfs/dbraw/zinc/48/72/41/411487241.db2.gz QVBRORXLJGKIGA-QWHCGFSZSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1Cc2ccccc2[C@@H]1NCCC[NH3+] ZINC000415089125 411491791 /nfs/dbraw/zinc/49/17/91/411491791.db2.gz MTEUZNRLPABENH-ZWNOBZJWSA-N 1 3 204.317 1.858 20 0 BDADHO CNCc1ccccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000127623881 411498331 /nfs/dbraw/zinc/49/83/31/411498331.db2.gz SDMXXMZTWYPVAI-LLVKDONJSA-N 1 3 247.342 1.344 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H]2CCCn3ccnc32)C1 ZINC000655803457 411518452 /nfs/dbraw/zinc/51/84/52/411518452.db2.gz PUQKUSKFSJXXDY-XQQFMLRXSA-N 1 3 248.374 1.648 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659989132 411521001 /nfs/dbraw/zinc/52/10/01/411521001.db2.gz CLRYRCGZAIGBMW-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@H]2COC(C)(C)C2)C1 ZINC000659989132 411521002 /nfs/dbraw/zinc/52/10/02/411521002.db2.gz CLRYRCGZAIGBMW-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO Cc1nocc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655823857 411526476 /nfs/dbraw/zinc/52/64/76/411526476.db2.gz ABKDYMHYBMYUFY-KLPPZKSPSA-N 1 3 223.320 1.413 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](COC)CC(C)C)C1 ZINC000360412251 170008892 /nfs/dbraw/zinc/00/88/92/170008892.db2.gz GAANYNLLNBBEQI-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO CCN1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000037484294 170015185 /nfs/dbraw/zinc/01/51/85/170015185.db2.gz KOYDZILJWICUSS-LLVKDONJSA-N 1 3 228.405 1.813 20 0 BDADHO CCN1CC[C@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579302 170015328 /nfs/dbraw/zinc/01/53/28/170015328.db2.gz JLVBPNALMYFJQR-GFCCVEGCSA-N 1 3 207.321 1.446 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000309468997 170016601 /nfs/dbraw/zinc/01/66/01/170016601.db2.gz UARYFVHIBRTFGB-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCO2)C1 ZINC000309468997 170016602 /nfs/dbraw/zinc/01/66/02/170016602.db2.gz UARYFVHIBRTFGB-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCO2)C1 ZINC000309468997 170016603 /nfs/dbraw/zinc/01/66/03/170016603.db2.gz UARYFVHIBRTFGB-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)OC)C[C@@H]1C ZINC000336673355 170019102 /nfs/dbraw/zinc/01/91/02/170019102.db2.gz KQHVNGLAHBKBSI-XQQFMLRXSA-N 1 3 228.380 1.826 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)OC)C[C@@H]1C ZINC000336673355 170019103 /nfs/dbraw/zinc/01/91/03/170019103.db2.gz KQHVNGLAHBKBSI-XQQFMLRXSA-N 1 3 228.380 1.826 20 0 BDADHO CCN1C[C@H]([NH2+][C@@H](C)CCN(C)C)[C@@H](C)C1 ZINC000309958780 170037345 /nfs/dbraw/zinc/03/73/45/170037345.db2.gz JYJUHKZTQMTMRO-AVGNSLFASA-N 1 3 227.396 1.256 20 0 BDADHO CCOC(=O)CCN1CCC(C[NH+](C)C)CC1 ZINC000042394680 170205183 /nfs/dbraw/zinc/20/51/83/170205183.db2.gz BCTKDYPCFCEVFW-UHFFFAOYSA-N 1 3 242.363 1.213 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000124462167 170330443 /nfs/dbraw/zinc/33/04/43/170330443.db2.gz JZLDMBDUKQMWSO-CLRIEMFWSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000124462167 170330444 /nfs/dbraw/zinc/33/04/44/170330444.db2.gz JZLDMBDUKQMWSO-CLRIEMFWSA-N 1 3 238.375 1.770 20 0 BDADHO CCOCCN(CC)[C@H]1CCC[NH2+]CC1 ZINC000082666932 170396173 /nfs/dbraw/zinc/39/61/73/170396173.db2.gz HFYIATHHCSFUSI-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO C[C@H](CO)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665951 411615780 /nfs/dbraw/zinc/61/57/80/411615780.db2.gz ZZLZRAKPOPAFMK-STQMWFEESA-N 1 3 226.364 1.033 20 0 BDADHO C[C@H](CO)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665951 411615782 /nfs/dbraw/zinc/61/57/82/411615782.db2.gz ZZLZRAKPOPAFMK-STQMWFEESA-N 1 3 226.364 1.033 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]C1CCSCC1 ZINC000663500127 411660624 /nfs/dbraw/zinc/66/06/24/411660624.db2.gz OZSXYJJLEXIRTM-LLVKDONJSA-N 1 3 216.394 1.845 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+]CC12CC(C1)CN2 ZINC000663497552 411678490 /nfs/dbraw/zinc/67/84/90/411678490.db2.gz HGAVQIJCECJWPM-XGNXJENSSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000663497111 411678731 /nfs/dbraw/zinc/67/87/31/411678731.db2.gz BUWNUDUPQHBDSA-YIFLHPOLSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]C1CCOCC1 ZINC000663498327 411680604 /nfs/dbraw/zinc/68/06/04/411680604.db2.gz APILVQAQFWUZSF-LLVKDONJSA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)[C@H]([NH3+])CCNC1CCOCC1 ZINC000663498327 411680608 /nfs/dbraw/zinc/68/06/08/411680608.db2.gz APILVQAQFWUZSF-LLVKDONJSA-N 1 3 200.326 1.128 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661699679 411845375 /nfs/dbraw/zinc/84/53/75/411845375.db2.gz DSYTYWJEVIIYDR-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661699679 411845379 /nfs/dbraw/zinc/84/53/79/411845379.db2.gz DSYTYWJEVIIYDR-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO Cc1cc(N(C)CC2CN(C)C2)cc[nH+]1 ZINC000664329715 411923257 /nfs/dbraw/zinc/92/32/57/411923257.db2.gz IBPMZSVACNQICP-UHFFFAOYSA-N 1 3 205.305 1.388 20 0 BDADHO C[C@H](O)[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000661765734 411876626 /nfs/dbraw/zinc/87/66/26/411876626.db2.gz PLTVFKBLZVYCSV-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CC(C)CC1(NC[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000662066334 411968064 /nfs/dbraw/zinc/96/80/64/411968064.db2.gz JQQCRLGCZGKHOJ-CYBMUJFWSA-N 1 3 242.407 1.856 20 0 BDADHO CC(C)CC1(NC[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000662066334 411968068 /nfs/dbraw/zinc/96/80/68/411968068.db2.gz JQQCRLGCZGKHOJ-CYBMUJFWSA-N 1 3 242.407 1.856 20 0 BDADHO C[N@H+](CCO[C@@H]1CC1(F)F)C1CCNCC1 ZINC000662238458 412033647 /nfs/dbraw/zinc/03/36/47/412033647.db2.gz QBTRLHNPBHZBBZ-SNVBAGLBSA-N 1 3 234.290 1.094 20 0 BDADHO C[N@@H+](CCO[C@@H]1CC1(F)F)C1CCNCC1 ZINC000662238458 412033652 /nfs/dbraw/zinc/03/36/52/412033652.db2.gz QBTRLHNPBHZBBZ-SNVBAGLBSA-N 1 3 234.290 1.094 20 0 BDADHO CCc1nocc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000662246837 412042610 /nfs/dbraw/zinc/04/26/10/412042610.db2.gz SYHAPRWKEMIOBQ-JTQLQIEISA-N 1 3 237.347 1.796 20 0 BDADHO Cc1nocc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000662247501 412044695 /nfs/dbraw/zinc/04/46/95/412044695.db2.gz WMXBSWLTWQTFDW-VIFPVBQESA-N 1 3 223.320 1.542 20 0 BDADHO CC[C@@H](CC(F)F)C[N@H+](C)CCCN ZINC000662247423 412044964 /nfs/dbraw/zinc/04/49/64/412044964.db2.gz XWTYBCQZYNGPLJ-VIFPVBQESA-N 1 3 208.296 1.948 20 0 BDADHO CC[C@@H](CC(F)F)C[N@@H+](C)CCCN ZINC000662247423 412044967 /nfs/dbraw/zinc/04/49/67/412044967.db2.gz XWTYBCQZYNGPLJ-VIFPVBQESA-N 1 3 208.296 1.948 20 0 BDADHO CC[C@@H](CC(F)F)CN(C)CCC[NH3+] ZINC000662247423 412044970 /nfs/dbraw/zinc/04/49/70/412044970.db2.gz XWTYBCQZYNGPLJ-VIFPVBQESA-N 1 3 208.296 1.948 20 0 BDADHO CC(C)C[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248633 412046412 /nfs/dbraw/zinc/04/64/12/412046412.db2.gz IGPWQKUZEFPENI-NSHDSACASA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)C[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662248633 412046413 /nfs/dbraw/zinc/04/64/13/412046413.db2.gz IGPWQKUZEFPENI-NSHDSACASA-N 1 3 212.337 1.095 20 0 BDADHO CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662252872 412048957 /nfs/dbraw/zinc/04/89/57/412048957.db2.gz QTIWYRXRCXMLDM-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662252872 412048959 /nfs/dbraw/zinc/04/89/59/412048959.db2.gz QTIWYRXRCXMLDM-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@H+](CC(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662253968 412049163 /nfs/dbraw/zinc/04/91/63/412049163.db2.gz ZZGPSFVEARKXBE-GFCCVEGCSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+](CC(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662253968 412049166 /nfs/dbraw/zinc/04/91/66/412049166.db2.gz ZZGPSFVEARKXBE-GFCCVEGCSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)C1CCCC1 ZINC000662266428 412058166 /nfs/dbraw/zinc/05/81/66/412058166.db2.gz YZCZLOVVKCDGMO-MBNYWOFBSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H](C[N@H+]1C[C@H](CN)C[C@H]1C)C1CCCC1 ZINC000662266428 412058171 /nfs/dbraw/zinc/05/81/71/412058171.db2.gz YZCZLOVVKCDGMO-MBNYWOFBSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@](C)(CN)C1)C1CCC1 ZINC000662272266 412063429 /nfs/dbraw/zinc/06/34/29/412063429.db2.gz DAFKUWGNXWOPDZ-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@](C)(CN)C1)C1CCC1 ZINC000662272266 412063434 /nfs/dbraw/zinc/06/34/34/412063434.db2.gz DAFKUWGNXWOPDZ-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)C2)CCO1 ZINC000346083262 171120649 /nfs/dbraw/zinc/12/06/49/171120649.db2.gz QSUKYNCTVXFONZ-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N)C2)CCO1 ZINC000346083262 171120652 /nfs/dbraw/zinc/12/06/52/171120652.db2.gz QSUKYNCTVXFONZ-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662276255 412068648 /nfs/dbraw/zinc/06/86/48/412068648.db2.gz IAIVDJAZCQJVGX-OFTGVCEQSA-N 1 3 208.349 1.844 20 0 BDADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH3+])N(CC)CC ZINC000359431080 171223921 /nfs/dbraw/zinc/22/39/21/171223921.db2.gz TYKLYHCNUSWQNN-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CO[C@H](CN1CC[C@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000662284609 412075548 /nfs/dbraw/zinc/07/55/48/412075548.db2.gz NTTILEGLYQYGFU-KGYLQXTDSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)(CCNC1(CO)CC[NH2+]CC1)C1CC1 ZINC000662283659 412075782 /nfs/dbraw/zinc/07/57/82/412075782.db2.gz IMMJTBYDCICYHE-UHFFFAOYSA-N 1 3 240.391 1.517 20 0 BDADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304631518 171281496 /nfs/dbraw/zinc/28/14/96/171281496.db2.gz VNLNKVRYLZYWCN-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H](C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304631518 171281497 /nfs/dbraw/zinc/28/14/97/171281497.db2.gz VNLNKVRYLZYWCN-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H](C)[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662290193 412080020 /nfs/dbraw/zinc/08/00/20/412080020.db2.gz MSBCVIWVCLKBIG-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](C)[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662290193 412080023 /nfs/dbraw/zinc/08/00/23/412080023.db2.gz MSBCVIWVCLKBIG-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO [NH3+]CCOCCN1CCC(c2ccco2)CC1 ZINC000662299370 412086888 /nfs/dbraw/zinc/08/68/88/412086888.db2.gz ZDGMQOUTRVRMOI-UHFFFAOYSA-N 1 3 238.331 1.434 20 0 BDADHO C[C@H](CO)[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000662300957 412087083 /nfs/dbraw/zinc/08/70/83/412087083.db2.gz NVYYFJVLHNNLAM-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC2CC1(CN)C2 ZINC000662305070 412091928 /nfs/dbraw/zinc/09/19/28/412091928.db2.gz YCNWMQRXZKHYKA-UHFFFAOYSA-N 1 3 234.347 1.005 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC2CC1(CN)C2 ZINC000662305070 412091929 /nfs/dbraw/zinc/09/19/29/412091929.db2.gz YCNWMQRXZKHYKA-UHFFFAOYSA-N 1 3 234.347 1.005 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](CCF)C1 ZINC000662311470 412094388 /nfs/dbraw/zinc/09/43/88/412094388.db2.gz SMMSYMSJMQZJDH-NEPJUHHUSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000662311470 412094390 /nfs/dbraw/zinc/09/43/90/412094390.db2.gz SMMSYMSJMQZJDH-NEPJUHHUSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000662311470 412094392 /nfs/dbraw/zinc/09/43/92/412094392.db2.gz SMMSYMSJMQZJDH-NEPJUHHUSA-N 1 3 232.343 1.028 20 0 BDADHO C[N@H+](CCCN)C[C@@H]1CCc2ccccc21 ZINC000662324389 412102886 /nfs/dbraw/zinc/10/28/86/412102886.db2.gz WWILKFKFBRJNOB-ZDUSSCGKSA-N 1 3 218.344 1.997 20 0 BDADHO C[N@@H+](CCCN)C[C@@H]1CCc2ccccc21 ZINC000662324389 412102890 /nfs/dbraw/zinc/10/28/90/412102890.db2.gz WWILKFKFBRJNOB-ZDUSSCGKSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCN(C(C)(C)C)C1 ZINC000665236630 412177320 /nfs/dbraw/zinc/17/73/20/412177320.db2.gz QXFRTRHUONGNBT-FRRDWIJNSA-N 1 3 239.407 1.447 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000665239618 412179758 /nfs/dbraw/zinc/17/97/58/412179758.db2.gz WAABFBOXAZDVAD-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccncc1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000665239618 412179762 /nfs/dbraw/zinc/17/97/62/412179762.db2.gz WAABFBOXAZDVAD-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO CO[C@@H](C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000665244582 412189475 /nfs/dbraw/zinc/18/94/75/412189475.db2.gz RCACSCYVTULACC-AXFHLTTASA-N 1 3 200.326 1.271 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(N)CCCC1 ZINC000665249599 412195750 /nfs/dbraw/zinc/19/57/50/412195750.db2.gz UEVOTDXOURIQAR-DGCLKSJQSA-N 1 3 237.391 1.330 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665249599 412195753 /nfs/dbraw/zinc/19/57/53/412195753.db2.gz UEVOTDXOURIQAR-DGCLKSJQSA-N 1 3 237.391 1.330 20 0 BDADHO CC1(C)[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)C1(F)F ZINC000665273727 412215179 /nfs/dbraw/zinc/21/51/79/412215179.db2.gz CIWHBNXUOWHSDZ-UTLUCORTSA-N 1 3 232.318 1.995 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662552894 412215234 /nfs/dbraw/zinc/21/52/34/412215234.db2.gz UZORQYZPQKSTQM-MFKMUULPSA-N 1 3 247.342 1.075 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccoc1 ZINC000665261520 412203698 /nfs/dbraw/zinc/20/36/98/412203698.db2.gz FIEYRJOWWFEXFY-UHTWSYAYSA-N 1 3 238.331 1.164 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665261520 412203701 /nfs/dbraw/zinc/20/37/01/412203701.db2.gz FIEYRJOWWFEXFY-UHTWSYAYSA-N 1 3 238.331 1.164 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccoc1 ZINC000665261518 412204071 /nfs/dbraw/zinc/20/40/71/412204071.db2.gz FIEYRJOWWFEXFY-CYZMBNFOSA-N 1 3 238.331 1.164 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665261518 412204074 /nfs/dbraw/zinc/20/40/74/412204074.db2.gz FIEYRJOWWFEXFY-CYZMBNFOSA-N 1 3 238.331 1.164 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000665261695 412204671 /nfs/dbraw/zinc/20/46/71/412204671.db2.gz JTRKXFCBQDCIAT-GMTAPVOTSA-N 1 3 200.326 1.007 20 0 BDADHO CCCN1CC[C@@H](N[C@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273863 412215420 /nfs/dbraw/zinc/21/54/20/412215420.db2.gz FVMIYVUEDBIGAR-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)O1 ZINC000665265112 412209023 /nfs/dbraw/zinc/20/90/23/412209023.db2.gz PQJSCCIVXHPZQT-FDYHWXHSSA-N 1 3 226.364 1.661 20 0 BDADHO COC1CC(CCN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665230001 412167624 /nfs/dbraw/zinc/16/76/24/412167624.db2.gz HIAUORZUBYUDAK-GFJIZPEISA-N 1 3 240.391 1.922 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000665229947 412168830 /nfs/dbraw/zinc/16/88/30/412168830.db2.gz GUNIXHBYHXBVEY-GNRIBBGQSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CCCCN2)n1 ZINC000665274428 412217645 /nfs/dbraw/zinc/21/76/45/412217645.db2.gz PXIAPAXYYZFMPE-JSGCOSHPSA-N 1 3 248.374 1.448 20 0 BDADHO CCCN1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000665274379 412217878 /nfs/dbraw/zinc/21/78/78/412217878.db2.gz PAEQJILZUDEYCT-AGIUHOORSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C1CCSCC1 ZINC000665278698 412221943 /nfs/dbraw/zinc/22/19/43/412221943.db2.gz MRWOCBPCCOUPIJ-XSRFYTQQSA-N 1 3 240.416 1.860 20 0 BDADHO C[C@@H](NCC12CC(C1)C[NH2+]2)C1CCSCC1 ZINC000665278698 412221945 /nfs/dbraw/zinc/22/19/45/412221945.db2.gz MRWOCBPCCOUPIJ-XSRFYTQQSA-N 1 3 240.416 1.860 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000665280514 412224911 /nfs/dbraw/zinc/22/49/11/412224911.db2.gz DXIAUCAKZSPSQL-IJLUTSLNSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCO[C@H](C)C1 ZINC000665280514 412224913 /nfs/dbraw/zinc/22/49/13/412224913.db2.gz DXIAUCAKZSPSQL-IJLUTSLNSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCCc1ccco1 ZINC000665283766 412229275 /nfs/dbraw/zinc/22/92/75/412229275.db2.gz UNKVBYCOXUTSLZ-WDEREUQCSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1ccco1 ZINC000665283766 412229280 /nfs/dbraw/zinc/22/92/80/412229280.db2.gz UNKVBYCOXUTSLZ-WDEREUQCSA-N 1 3 210.321 1.928 20 0 BDADHO CC[C@@H](C(=O)N(C)CC(C)(C)[NH3+])N(CC)CC ZINC000662845098 412319669 /nfs/dbraw/zinc/31/96/69/412319669.db2.gz KHWRXSKMYAIILI-NSHDSACASA-N 1 3 243.395 1.303 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000662782300 412300657 /nfs/dbraw/zinc/30/06/57/412300657.db2.gz IYQAMSAPHCIHMV-GFCCVEGCSA-N 1 3 235.331 1.343 20 0 BDADHO C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CCN1C ZINC000132946843 412373545 /nfs/dbraw/zinc/37/35/45/412373545.db2.gz COXPFZLUEBXOID-WDEREUQCSA-N 1 3 241.379 1.103 20 0 BDADHO CCn1nccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335270188 172269273 /nfs/dbraw/zinc/26/92/73/172269273.db2.gz PTYCRXZEWFHDLU-BETUJISGSA-N 1 3 248.374 1.334 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062113541 172503143 /nfs/dbraw/zinc/50/31/43/172503143.db2.gz VPSZJUSUQTZCIY-GFCCVEGCSA-N 1 3 247.342 1.296 20 0 BDADHO CN1CC[C@H](N2C[C@H](CC[NH3+])c3ccccc32)C1 ZINC000063127441 173150013 /nfs/dbraw/zinc/15/00/13/173150013.db2.gz ZAHMWZPUIBAAFL-STQMWFEESA-N 1 3 245.370 1.643 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@@H]2CCC[C@H]21 ZINC000353521516 173152377 /nfs/dbraw/zinc/15/23/77/173152377.db2.gz PWHVHQRTTFFBNR-MMWGEVLESA-N 1 3 248.317 1.075 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@@H]2CCC[C@H]21 ZINC000353521516 173152379 /nfs/dbraw/zinc/15/23/79/173152379.db2.gz PWHVHQRTTFFBNR-MMWGEVLESA-N 1 3 248.317 1.075 20 0 BDADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@@H]2CCC[C@H]21 ZINC000353521516 173152381 /nfs/dbraw/zinc/15/23/81/173152381.db2.gz PWHVHQRTTFFBNR-MMWGEVLESA-N 1 3 248.317 1.075 20 0 BDADHO CNC[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000052173150 173379871 /nfs/dbraw/zinc/37/98/71/173379871.db2.gz XCWKCOMLVYPUNG-GFCCVEGCSA-N 1 3 212.337 1.097 20 0 BDADHO CNC[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC000052173150 173379872 /nfs/dbraw/zinc/37/98/72/173379872.db2.gz XCWKCOMLVYPUNG-GFCCVEGCSA-N 1 3 212.337 1.097 20 0 BDADHO COC1CC(NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355580448 174017715 /nfs/dbraw/zinc/01/77/15/174017715.db2.gz IDJDZDBFWOKNAA-UHFFFAOYSA-N 1 3 238.375 1.770 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000234893577 174156168 /nfs/dbraw/zinc/15/61/68/174156168.db2.gz PQXAZYAFSFPBTG-NEPJUHHUSA-N 1 3 226.364 1.520 20 0 BDADHO COc1ccc(C[NH2+][C@@H](C)CN)cc1OC ZINC000144906702 175109137 /nfs/dbraw/zinc/10/91/37/175109137.db2.gz SLGVNWXSUFGDSR-VIFPVBQESA-N 1 3 224.304 1.141 20 0 BDADHO C[C@@H](c1ccccc1)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313383724 176021697 /nfs/dbraw/zinc/02/16/97/176021697.db2.gz JKRVEHOBUXUYHI-JSGCOSHPSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@@H](c1ccccc1)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313383724 176021698 /nfs/dbraw/zinc/02/16/98/176021698.db2.gz JKRVEHOBUXUYHI-JSGCOSHPSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@@H]1CCN(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000336363472 176167364 /nfs/dbraw/zinc/16/73/64/176167364.db2.gz DULVOPPJNQKNIZ-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNc1ccccn1 ZINC000361881821 176271514 /nfs/dbraw/zinc/27/15/14/176271514.db2.gz WXZISAPZROZEBG-CHWSQXEVSA-N 1 3 248.374 1.423 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNc1ccccn1 ZINC000361881821 176271515 /nfs/dbraw/zinc/27/15/15/176271515.db2.gz WXZISAPZROZEBG-CHWSQXEVSA-N 1 3 248.374 1.423 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000305855741 176341821 /nfs/dbraw/zinc/34/18/21/176341821.db2.gz BMZSLFVOERXFKK-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000126915438 176367823 /nfs/dbraw/zinc/36/78/23/176367823.db2.gz BXRHWIHVIRVCFW-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@@H]1CCCO1 ZINC000126915438 176367824 /nfs/dbraw/zinc/36/78/24/176367824.db2.gz BXRHWIHVIRVCFW-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOc1ccccc1 ZINC000132407086 176368181 /nfs/dbraw/zinc/36/81/81/176368181.db2.gz QSOBLXHFWHDKKA-OLZOCXBDSA-N 1 3 234.343 1.735 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CCN1C ZINC000359037479 176375646 /nfs/dbraw/zinc/37/56/46/176375646.db2.gz QWEHEYYZKXVQCU-KGLIPLIRSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@@H]1C[C@@H](NCCN2CC=CCC2)CC[N@@H+]1C ZINC000359037479 176375647 /nfs/dbraw/zinc/37/56/47/176375647.db2.gz QWEHEYYZKXVQCU-KGLIPLIRSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@@H]1C[C@@H](NCCN2CC=CCC2)CC[N@H+]1C ZINC000359037479 176375649 /nfs/dbraw/zinc/37/56/49/176375649.db2.gz QWEHEYYZKXVQCU-KGLIPLIRSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)O ZINC000251271333 176990783 /nfs/dbraw/zinc/99/07/83/176990783.db2.gz XOSLWBJEDOSSKX-GRYCIOLGSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H](c1ccccn1)N1CCC(C[NH3+])CC1 ZINC000044512021 177043596 /nfs/dbraw/zinc/04/35/96/177043596.db2.gz MGZIJCKKVCJBKB-LLVKDONJSA-N 1 3 219.332 1.813 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NC1CC(F)(F)C1 ZINC000309100724 177234769 /nfs/dbraw/zinc/23/47/69/177234769.db2.gz FOSWSSSKCRLGAS-WCBMZHEXSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NC1CC(F)(F)C1 ZINC000309100724 177234770 /nfs/dbraw/zinc/23/47/70/177234770.db2.gz FOSWSSSKCRLGAS-WCBMZHEXSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CC=CCC1 ZINC000359075422 177234806 /nfs/dbraw/zinc/23/48/06/177234806.db2.gz ZIBLBICMTMDSFS-UONOGXRCSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CC=CCC1 ZINC000359075422 177234807 /nfs/dbraw/zinc/23/48/07/177234807.db2.gz ZIBLBICMTMDSFS-UONOGXRCSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c1NCC2 ZINC000336225314 177324467 /nfs/dbraw/zinc/32/44/67/177324467.db2.gz ICOAEKLRCQPGON-RYUDHWBXSA-N 1 3 245.370 1.824 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@@H](C)C1)CN(C)C ZINC000336714750 177332296 /nfs/dbraw/zinc/33/22/96/177332296.db2.gz WEBKYTOZJAVIGZ-WOPDTQHZSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H]1C[C@H](NCC2CC[NH+](C)CC2)c2nccn21 ZINC000335953522 177368818 /nfs/dbraw/zinc/36/88/18/177368818.db2.gz BMIYTZQFCJAVIT-AAEUAGOBSA-N 1 3 248.374 1.820 20 0 BDADHO C[C@H]1C[C@H](NCCc2cnccn2)CC[N@@H+]1C ZINC000341883022 177370636 /nfs/dbraw/zinc/37/06/36/177370636.db2.gz TZKJPRVMKUMOMR-NWDGAFQWSA-N 1 3 234.347 1.091 20 0 BDADHO C[C@H]1C[C@H](NCCc2cnccn2)CC[N@H+]1C ZINC000341883022 177370638 /nfs/dbraw/zinc/37/06/38/177370638.db2.gz TZKJPRVMKUMOMR-NWDGAFQWSA-N 1 3 234.347 1.091 20 0 BDADHO C[C@H](CCCC[NH3+])NC(=O)C1(N)CCCCC1 ZINC000495172092 226277632 /nfs/dbraw/zinc/27/76/32/226277632.db2.gz YQCLRXRJIGHQDF-LLVKDONJSA-N 1 3 241.379 1.282 20 0 BDADHO c1ccc(OCCCC[NH2+][C@@H]2CCNC2)cc1 ZINC000507369129 226368638 /nfs/dbraw/zinc/36/86/38/226368638.db2.gz RNXHIAOTGLOQBX-CYBMUJFWSA-N 1 3 234.343 1.797 20 0 BDADHO CC(C)[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756121 487670846 /nfs/dbraw/zinc/67/08/46/487670846.db2.gz KPTIDDAUEIVKHL-KGLIPLIRSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756121 487670851 /nfs/dbraw/zinc/67/08/51/487670851.db2.gz KPTIDDAUEIVKHL-KGLIPLIRSA-N 1 3 242.407 1.665 20 0 BDADHO C(CC1CCOCC1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000681111823 487730392 /nfs/dbraw/zinc/73/03/92/487730392.db2.gz LURCMAFWYSNVNB-ZIAGYGMSSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H](N)c1ccccc1 ZINC000289300144 487747299 /nfs/dbraw/zinc/74/72/99/487747299.db2.gz RZPAKIABZLGOTN-WXHSDQCUSA-N 1 3 247.342 1.025 20 0 BDADHO CC(C)C[C@@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156058786 487809380 /nfs/dbraw/zinc/80/93/80/487809380.db2.gz QNPCSHOMKHONFJ-HZSPNIEDSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156058786 487809383 /nfs/dbraw/zinc/80/93/83/487809383.db2.gz QNPCSHOMKHONFJ-HZSPNIEDSA-N 1 3 240.391 1.610 20 0 BDADHO COCC[N@H+](CCCN)[C@@H]1CC[C@H](C)C1 ZINC000414752510 487822371 /nfs/dbraw/zinc/82/23/71/487822371.db2.gz KXMDRLQLZPTDEV-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO COCC[N@@H+](CCCN)[C@@H]1CC[C@H](C)C1 ZINC000414752510 487822373 /nfs/dbraw/zinc/82/23/73/487822373.db2.gz KXMDRLQLZPTDEV-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CC1(CNC[C@@H]2C[NH2+]CCCO2)CCC1 ZINC000415037450 487834479 /nfs/dbraw/zinc/83/44/79/487834479.db2.gz LENMOMSVOZZYJM-NSHDSACASA-N 1 3 212.337 1.145 20 0 BDADHO CC1(CNC[C@H]2C[NH2+]CCCO2)CCC1 ZINC000415037448 487834412 /nfs/dbraw/zinc/83/44/12/487834412.db2.gz LENMOMSVOZZYJM-LLVKDONJSA-N 1 3 212.337 1.145 20 0 BDADHO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]CCCN ZINC000415087491 487835797 /nfs/dbraw/zinc/83/57/97/487835797.db2.gz UTILGZVJDYQNIW-RYUDHWBXSA-N 1 3 228.380 1.766 20 0 BDADHO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]CCCN ZINC000415087490 487836172 /nfs/dbraw/zinc/83/61/72/487836172.db2.gz UTILGZVJDYQNIW-NWDGAFQWSA-N 1 3 228.380 1.766 20 0 BDADHO [NH3+]CCCN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000415103707 487837767 /nfs/dbraw/zinc/83/77/67/487837767.db2.gz CWEXZMSTHNFMBX-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO NCCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000415103707 487837769 /nfs/dbraw/zinc/83/77/69/487837769.db2.gz CWEXZMSTHNFMBX-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO NCCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000415103707 487837771 /nfs/dbraw/zinc/83/77/71/487837771.db2.gz CWEXZMSTHNFMBX-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO COC[C@H](C)CNC[C@H]1CCCC[NH2+]1 ZINC000234704548 487862103 /nfs/dbraw/zinc/86/21/03/487862103.db2.gz OAGRMNYCUIQDQG-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995075 487921508 /nfs/dbraw/zinc/92/15/08/487921508.db2.gz CFXGZKQQPYSSNE-QJPTWQEYSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995075 487921513 /nfs/dbraw/zinc/92/15/13/487921513.db2.gz CFXGZKQQPYSSNE-QJPTWQEYSA-N 1 3 224.348 1.428 20 0 BDADHO Cc1cnccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000229658767 487935478 /nfs/dbraw/zinc/93/54/78/487935478.db2.gz ZTMIEWBFIISWQN-OCCSQVGLSA-N 1 3 233.359 1.997 20 0 BDADHO CC(C)[C@H]1CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000562603557 323025418 /nfs/dbraw/zinc/02/54/18/323025418.db2.gz PZSCEOBCHHVPFS-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000569658368 323035793 /nfs/dbraw/zinc/03/57/93/323035793.db2.gz CEKJLMPJZFVHQD-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCO)C1 ZINC000570105976 323050143 /nfs/dbraw/zinc/05/01/43/323050143.db2.gz GKDTXFCETYNNIO-RNJOBUHISA-N 1 3 226.364 1.397 20 0 BDADHO COC[C@H](C)C[NH2+]CCCN1CCCCC1 ZINC000163298952 323050313 /nfs/dbraw/zinc/05/03/13/323050313.db2.gz VYCXCERBMTZLCU-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO CC(C)[NH+](CCCN[C@H](C)[C@H](C)O)C(C)C ZINC000570156007 323051183 /nfs/dbraw/zinc/05/11/83/323051183.db2.gz UOHNIINQXBBSSV-OLZOCXBDSA-N 1 3 230.396 1.854 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000570638200 323065735 /nfs/dbraw/zinc/06/57/35/323065735.db2.gz NZNNEFSTVDZNMQ-LPWJVIDDSA-N 1 3 228.380 1.371 20 0 BDADHO CCC[C@](C)(N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563164779 323099356 /nfs/dbraw/zinc/09/93/56/323099356.db2.gz FVKWMQGFTONFGN-AWEZNQCLSA-N 1 3 249.358 1.279 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563166399 323099379 /nfs/dbraw/zinc/09/93/79/323099379.db2.gz SRECQRRXSQDSFW-GWCFXTLKSA-N 1 3 249.358 1.135 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000571111890 323135931 /nfs/dbraw/zinc/13/59/31/323135931.db2.gz CJGNMHZXBHFLGY-MEBFFEOJSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000571111890 323135932 /nfs/dbraw/zinc/13/59/32/323135932.db2.gz CJGNMHZXBHFLGY-MEBFFEOJSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000571111890 323135933 /nfs/dbraw/zinc/13/59/33/323135933.db2.gz CJGNMHZXBHFLGY-MEBFFEOJSA-N 1 3 238.375 1.626 20 0 BDADHO Cc1n[nH]c(C)c1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000572850734 323146249 /nfs/dbraw/zinc/14/62/49/323146249.db2.gz ALLTWFWEFFLAPR-GXTWGEPZSA-N 1 3 248.374 1.504 20 0 BDADHO COC(=O)CCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397263373 323152483 /nfs/dbraw/zinc/15/24/83/323152483.db2.gz IECPHKZERVVSHC-SRVKXCTJSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)CCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397263373 323152484 /nfs/dbraw/zinc/15/24/84/323152484.db2.gz IECPHKZERVVSHC-SRVKXCTJSA-N 1 3 242.363 1.245 20 0 BDADHO CC[C@@H]1CCCN(C[C@H](O)C[N@H+](C)CC)C1 ZINC000309253539 323332688 /nfs/dbraw/zinc/33/26/88/323332688.db2.gz NRQDEHOMIAYHDP-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000309253539 323332692 /nfs/dbraw/zinc/33/26/92/323332692.db2.gz NRQDEHOMIAYHDP-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)OCC ZINC000530212543 324528907 /nfs/dbraw/zinc/52/89/07/324528907.db2.gz QSMKOLKEJVMRAW-UPJWGTAASA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ncccc1F ZINC000530236472 324551750 /nfs/dbraw/zinc/55/17/50/324551750.db2.gz SVXMNAUCBOSDFK-QWRGUYRKSA-N 1 3 237.322 1.871 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)C1CC1 ZINC000130738916 325083245 /nfs/dbraw/zinc/08/32/45/325083245.db2.gz CFTNRZBZVWYNCJ-JHJVBQTASA-N 1 3 239.407 1.541 20 0 BDADHO C[NH+](C)CCCCNCc1ccc(CO)o1 ZINC000081555931 325505651 /nfs/dbraw/zinc/50/56/51/325505651.db2.gz XPXKREXJPTURSI-UHFFFAOYSA-N 1 3 226.320 1.203 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000565657006 325939497 /nfs/dbraw/zinc/93/94/97/325939497.db2.gz SLYONAJJKDAUCF-JTQLQIEISA-N 1 3 247.342 1.147 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000568162145 326316755 /nfs/dbraw/zinc/31/67/55/326316755.db2.gz PBRBKWNMMBKRFE-DGCLKSJQSA-N 1 3 236.363 1.393 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247692 326333801 /nfs/dbraw/zinc/33/38/01/326333801.db2.gz UHUVTAWXTFFFBD-OLZOCXBDSA-N 1 3 248.374 1.743 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247691 326333913 /nfs/dbraw/zinc/33/39/13/326333913.db2.gz UHUVTAWXTFFFBD-CHWSQXEVSA-N 1 3 248.374 1.743 20 0 BDADHO COC[C@H](C)[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000158689220 326337100 /nfs/dbraw/zinc/33/71/00/326337100.db2.gz PBUDYIKSXBVXIW-IHRRRGAJSA-N 1 3 242.407 1.979 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000568415244 326356305 /nfs/dbraw/zinc/35/63/05/326356305.db2.gz MACQJSVTUHBRJM-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H]([NH2+]CC(C1CC1)C1CC1)C1CNC1 ZINC000568499429 326359715 /nfs/dbraw/zinc/35/97/15/326359715.db2.gz ZVRRPBCUUVKICS-SECBINFHSA-N 1 3 208.349 1.620 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)CO ZINC000135082318 488013067 /nfs/dbraw/zinc/01/30/67/488013067.db2.gz GLLLMQMEFQCJKF-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H]1CN(CCOC(C)C)CC[C@@H]1[NH3+] ZINC000147411197 488014861 /nfs/dbraw/zinc/01/48/61/488014861.db2.gz GEUNXQUJZSVHMC-NEPJUHHUSA-N 1 3 214.353 1.471 20 0 BDADHO COC[C@H](C)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000045706804 488026584 /nfs/dbraw/zinc/02/65/84/488026584.db2.gz NTVNTMFXQSKBCA-MXWKQRLJSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@H](N)C[C@H]1C ZINC000045706804 488026592 /nfs/dbraw/zinc/02/65/92/488026592.db2.gz NTVNTMFXQSKBCA-MXWKQRLJSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@H](N)C[C@H]1C ZINC000045706804 488026595 /nfs/dbraw/zinc/02/65/95/488026595.db2.gz NTVNTMFXQSKBCA-MXWKQRLJSA-N 1 3 200.326 1.081 20 0 BDADHO CC1(C)CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497280 488046585 /nfs/dbraw/zinc/04/65/85/488046585.db2.gz CQDLQFPQNXFOHJ-QWKFWESOSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663497280 488046590 /nfs/dbraw/zinc/04/65/90/488046590.db2.gz CQDLQFPQNXFOHJ-QWKFWESOSA-N 1 3 208.349 1.907 20 0 BDADHO C[NH+](C)CC(C)(C)CN[C@@H]1COC(C)(C)C1 ZINC000396900363 488061998 /nfs/dbraw/zinc/06/19/98/488061998.db2.gz WIXGQIMDLAROTA-NSHDSACASA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC001172747317 974922949 /nfs/dbraw/zinc/92/29/49/974922949.db2.gz TUHCVAQZXWBRGT-RYUDHWBXSA-N 1 3 242.363 1.530 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@@H+]1CCC[C@H]1CN ZINC001172747317 974922940 /nfs/dbraw/zinc/92/29/40/974922940.db2.gz TUHCVAQZXWBRGT-RYUDHWBXSA-N 1 3 242.363 1.530 20 0 BDADHO C[C@H](COCC1CC1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656200635 488067094 /nfs/dbraw/zinc/06/70/94/488067094.db2.gz SREYKBRNBRJMGJ-RAIGVLPGSA-N 1 3 226.364 1.661 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)COC1 ZINC000393977119 488094285 /nfs/dbraw/zinc/09/42/85/488094285.db2.gz KLFKHZLZHCJAKM-GHMZBOCLSA-N 1 3 212.337 1.273 20 0 BDADHO Cc1cncc(CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000402844347 488104140 /nfs/dbraw/zinc/10/41/40/488104140.db2.gz PYHIVCZISGXSMR-STQMWFEESA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cncc(CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000402844347 488104143 /nfs/dbraw/zinc/10/41/43/488104143.db2.gz PYHIVCZISGXSMR-STQMWFEESA-N 1 3 248.374 1.400 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000669508424 488109322 /nfs/dbraw/zinc/10/93/22/488109322.db2.gz WMGNESODXITJRY-STQMWFEESA-N 1 3 247.342 1.472 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508331 488109357 /nfs/dbraw/zinc/10/93/57/488109357.db2.gz JFCAPMLTHBMNNI-LLVKDONJSA-N 1 3 235.331 1.457 20 0 BDADHO C[C@H]1C[C@H]1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000683110344 488111998 /nfs/dbraw/zinc/11/19/98/488111998.db2.gz MLPJNRMKPAOPIS-STQMWFEESA-N 1 3 231.343 1.860 20 0 BDADHO C[C@@H](C(=O)N(C)CCC[NH3+])[C@@H](N)c1ccccc1 ZINC000669511870 488117147 /nfs/dbraw/zinc/11/71/47/488117147.db2.gz KRGKEFADZWLLGU-DGCLKSJQSA-N 1 3 249.358 1.130 20 0 BDADHO CC(C)[NH+]1CCC(NC2([C@@H](C)O)CC2)CC1 ZINC000668700342 488133869 /nfs/dbraw/zinc/13/38/69/488133869.db2.gz SYSHIRUZBNKWDK-LLVKDONJSA-N 1 3 226.364 1.362 20 0 BDADHO C[NH+](C)CCC[C@H]1CN(CC2(C)CC2)CCO1 ZINC000668785834 487531670 /nfs/dbraw/zinc/53/16/70/487531670.db2.gz YYKNCRCUNXFINU-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)N1CCCC1 ZINC000161076493 487475990 /nfs/dbraw/zinc/47/59/90/487475990.db2.gz GMINUGIBYOCZTR-DGCLKSJQSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](C)CN(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000381070534 487495398 /nfs/dbraw/zinc/49/53/98/487495398.db2.gz ODOVMOSXVAJKIG-STQMWFEESA-N 1 3 230.396 1.665 20 0 BDADHO CC[C@H](C)CN(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000381070534 487495403 /nfs/dbraw/zinc/49/54/03/487495403.db2.gz ODOVMOSXVAJKIG-STQMWFEESA-N 1 3 230.396 1.665 20 0 BDADHO COCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086403752 487501044 /nfs/dbraw/zinc/50/10/44/487501044.db2.gz NGGREKFTHFPBCG-MNOVXSKESA-N 1 3 200.326 1.273 20 0 BDADHO COC[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500524 487514739 /nfs/dbraw/zinc/51/47/39/487514739.db2.gz HHTNNGLKCPWQDP-AGIUHOORSA-N 1 3 228.380 1.922 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2CCOC2)CC[C@@H]1N ZINC000251879942 487752901 /nfs/dbraw/zinc/75/29/01/487752901.db2.gz VDFJSUUYPJRFCB-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@@H]1N ZINC000251879942 487752906 /nfs/dbraw/zinc/75/29/06/487752906.db2.gz VDFJSUUYPJRFCB-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000251879942 487752912 /nfs/dbraw/zinc/75/29/12/487752912.db2.gz VDFJSUUYPJRFCB-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)CC1CCCCC1 ZINC000662968022 487776164 /nfs/dbraw/zinc/77/61/64/487776164.db2.gz QBOVGDDXUPOJKI-ZYHUDNBSSA-N 1 3 241.379 1.008 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@H]2CC23CC[NH2+]CC3)n1 ZINC000666952045 487890663 /nfs/dbraw/zinc/89/06/63/487890663.db2.gz DCIJLRFSEQEPGB-ZDUSSCGKSA-N 1 3 247.342 1.327 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000235413560 487953729 /nfs/dbraw/zinc/95/37/29/487953729.db2.gz XNKPZHFVVMPKKH-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](CN(C)CCC[NH+](C)C)NCC1(F)CC1 ZINC000657574015 488137116 /nfs/dbraw/zinc/13/71/16/488137116.db2.gz WPYLJTVONXLKQY-LBPRGKRZSA-N 1 3 245.386 1.350 20 0 BDADHO CNC(=O)[C@H](CC(C)C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093214374 488139290 /nfs/dbraw/zinc/13/92/90/488139290.db2.gz OMOQIKADIJFHSZ-SRVKXCTJSA-N 1 3 241.379 1.007 20 0 BDADHO CN(CCC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000258861330 488140205 /nfs/dbraw/zinc/14/02/05/488140205.db2.gz ISVKKELTORIROK-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CCN1C ZINC000397780386 488149028 /nfs/dbraw/zinc/14/90/28/488149028.db2.gz ORKLILSFYLHUBB-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC000230745401 488150487 /nfs/dbraw/zinc/15/04/87/488150487.db2.gz YUFSOXGFYOSGNG-NWDGAFQWSA-N 1 3 236.363 1.022 20 0 BDADHO CCOC[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000160674523 488151038 /nfs/dbraw/zinc/15/10/38/488151038.db2.gz WSBVNXVEAYQISR-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO CC[C@H](CC(F)F)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659851306 490093345 /nfs/dbraw/zinc/09/33/45/490093345.db2.gz YPHSSMYOJJSZOB-MXWKQRLJSA-N 1 3 232.318 1.819 20 0 BDADHO C[C@@H]1[C@H](C)N(C)CCN1CC[NH2+]C(C)(C)C ZINC000414764747 490293110 /nfs/dbraw/zinc/29/31/10/490293110.db2.gz ZDBFJKMWDDMXTP-NWDGAFQWSA-N 1 3 227.396 1.399 20 0 BDADHO C[C@@H]1[C@H](C)N(CC[NH2+]C(C)(C)C)CCN1C ZINC000414764746 490293390 /nfs/dbraw/zinc/29/33/90/490293390.db2.gz ZDBFJKMWDDMXTP-NEPJUHHUSA-N 1 3 227.396 1.399 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402611 490414451 /nfs/dbraw/zinc/41/44/51/490414451.db2.gz YMYTZHFKQOGAMO-NWDGAFQWSA-N 1 3 222.336 1.133 20 0 BDADHO FCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000128109533 490571377 /nfs/dbraw/zinc/57/13/77/490571377.db2.gz SICZQRYUZCWIGT-MNOVXSKESA-N 1 3 200.301 1.562 20 0 BDADHO FCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128109533 490571381 /nfs/dbraw/zinc/57/13/81/490571381.db2.gz SICZQRYUZCWIGT-MNOVXSKESA-N 1 3 200.301 1.562 20 0 BDADHO CC(C)(CO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128086162 490571557 /nfs/dbraw/zinc/57/15/57/490571557.db2.gz FHJANRABLLOVGM-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)(CO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128086162 490571561 /nfs/dbraw/zinc/57/15/61/490571561.db2.gz FHJANRABLLOVGM-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916264 491133928 /nfs/dbraw/zinc/13/39/28/491133928.db2.gz NJNJLDKYGPFIOA-BPNCWPANSA-N 1 3 232.327 1.900 20 0 BDADHO CN(C)Cc1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000352250583 536011861 /nfs/dbraw/zinc/01/18/61/536011861.db2.gz JHHTWJZUXRTZTF-UHFFFAOYSA-N 1 3 248.370 1.874 20 0 BDADHO Cc1ncc(CN(C)CC[C@@H]2CC[NH2+]C2)s1 ZINC000400068846 534733924 /nfs/dbraw/zinc/73/39/24/534733924.db2.gz SVGUYGMCDXEEBX-NSHDSACASA-N 1 3 239.388 1.883 20 0 BDADHO C[N@H+](C[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261530291 536451643 /nfs/dbraw/zinc/45/16/43/536451643.db2.gz CGAIQBLTQDXZFI-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](C[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261530291 536451646 /nfs/dbraw/zinc/45/16/46/536451646.db2.gz CGAIQBLTQDXZFI-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCN(CCN[C@@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400721416 528513184 /nfs/dbraw/zinc/51/31/84/528513184.db2.gz OPQZJLAHFPCJKX-AAEUAGOBSA-N 1 3 225.380 1.201 20 0 BDADHO CCCC[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000495100837 528835509 /nfs/dbraw/zinc/83/55/09/528835509.db2.gz KJFCALJUXXPCBF-GHMZBOCLSA-N 1 3 229.368 1.138 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000253017735 535160617 /nfs/dbraw/zinc/16/06/17/535160617.db2.gz IBIXLGQASCBINE-SDDRHHMPSA-N 1 3 214.353 1.110 20 0 BDADHO CC[C@@H](C(=O)NCCC[NH+](C)C)N(CC)CC ZINC000342685575 535410435 /nfs/dbraw/zinc/41/04/35/535410435.db2.gz YPNVANLBMDAVBA-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084221032 535690000 /nfs/dbraw/zinc/69/00/00/535690000.db2.gz WRWXRZGVAVHTIC-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221032 535690006 /nfs/dbraw/zinc/69/00/06/535690006.db2.gz WRWXRZGVAVHTIC-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO C[N@H+](CCC1CCCCC1)C[C@H](O)CN ZINC000258773046 536322298 /nfs/dbraw/zinc/32/22/98/536322298.db2.gz BCVNVAAXGHYJBC-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO C[N@@H+](CCC1CCCCC1)C[C@H](O)CN ZINC000258773046 536322299 /nfs/dbraw/zinc/32/22/99/536322299.db2.gz BCVNVAAXGHYJBC-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO CN(CCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000258773046 536322302 /nfs/dbraw/zinc/32/23/02/536322302.db2.gz BCVNVAAXGHYJBC-GFCCVEGCSA-N 1 3 214.353 1.208 20 0 BDADHO CN(CCNC1=[NH+]CCCN1)C1CCCCC1 ZINC000261749548 536387247 /nfs/dbraw/zinc/38/72/47/536387247.db2.gz JQHSPPIAERGQIN-UHFFFAOYSA-N 1 3 238.379 1.190 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000262022928 536647220 /nfs/dbraw/zinc/64/72/20/536647220.db2.gz YISXZRLPTDTBKF-FRRDWIJNSA-N 1 3 226.364 1.519 20 0 BDADHO CO[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000179243447 536708180 /nfs/dbraw/zinc/70/81/80/536708180.db2.gz QCGBXINCNJPCQU-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CO[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000179243447 536708183 /nfs/dbraw/zinc/70/81/83/536708183.db2.gz QCGBXINCNJPCQU-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO COc1ccccc1C[C@@H](C)NCC(C)(C)[NH3+] ZINC000261567645 537051481 /nfs/dbraw/zinc/05/14/81/537051481.db2.gz ZZMJWMDQKGENKD-LLVKDONJSA-N 1 3 236.359 1.953 20 0 BDADHO CC(C)[C@H]1CC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000854226599 588780444 /nfs/dbraw/zinc/78/04/44/588780444.db2.gz IQZUQMOZMNUEBW-QZQSVVMZSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[NH2+]C1CCN(c2ccncc2CO)CC1 ZINC000892288812 582828911 /nfs/dbraw/zinc/82/89/11/582828911.db2.gz VSPFUUAXSVUMER-UHFFFAOYSA-N 1 3 249.358 1.541 20 0 BDADHO CC/C=C\CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849035261 582836537 /nfs/dbraw/zinc/83/65/37/582836537.db2.gz BOHZEJXIUCABCB-FOQNGQEVSA-N 1 3 238.379 1.551 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccnc2ccccc12 ZINC000560942819 582841191 /nfs/dbraw/zinc/84/11/91/582841191.db2.gz MTFONTNFJHXJDR-LLVKDONJSA-N 1 3 229.327 1.919 20 0 BDADHO CC[N@@H+]1CCCC[C@@H]1CNc1ccncc1CO ZINC000892460677 582893016 /nfs/dbraw/zinc/89/30/16/582893016.db2.gz RXTIFDAHEPHNNY-CYBMUJFWSA-N 1 3 249.358 1.282 20 0 BDADHO CC[N@H+]1CCCC[C@@H]1CNc1ccncc1CO ZINC000892460677 582893017 /nfs/dbraw/zinc/89/30/17/582893017.db2.gz RXTIFDAHEPHNNY-CYBMUJFWSA-N 1 3 249.358 1.282 20 0 BDADHO CN1CCC(C[N@@H+]2CCCSCC2)CC1 ZINC000893421363 583140874 /nfs/dbraw/zinc/14/08/74/583140874.db2.gz SKTSSBXRMSLZQG-UHFFFAOYSA-N 1 3 228.405 1.767 20 0 BDADHO CN1CCC(C[N@H+]2CCCSCC2)CC1 ZINC000893421363 583140876 /nfs/dbraw/zinc/14/08/76/583140876.db2.gz SKTSSBXRMSLZQG-UHFFFAOYSA-N 1 3 228.405 1.767 20 0 BDADHO C[C@@H]1[C@@H](C)[N@H+](CC2CCN(C)CC2)CCN1C ZINC000893669598 583192378 /nfs/dbraw/zinc/19/23/78/583192378.db2.gz QTDNPNUPYZWYRM-CHWSQXEVSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1[C@@H](C)[N@@H+](CC2CCN(C)CC2)CCN1C ZINC000893669598 583192380 /nfs/dbraw/zinc/19/23/80/583192380.db2.gz QTDNPNUPYZWYRM-CHWSQXEVSA-N 1 3 239.407 1.353 20 0 BDADHO Fc1cccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000843341274 583224937 /nfs/dbraw/zinc/22/49/37/583224937.db2.gz SYVKBHOJYNRDPQ-GRYCIOLGSA-N 1 3 249.333 1.698 20 0 BDADHO COCc1cccc(CNCCC[NH3+])c1 ZINC000083968327 583581865 /nfs/dbraw/zinc/58/18/65/583581865.db2.gz PTOKAOURMJLUSY-UHFFFAOYSA-N 1 3 208.305 1.271 20 0 BDADHO CC[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000895146281 583604488 /nfs/dbraw/zinc/60/44/88/583604488.db2.gz DQBAFBZPNCTSJE-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]([NH2+]CC[C@H](C)N(C)C)C1CCOCC1 ZINC000895292556 583637000 /nfs/dbraw/zinc/63/70/00/583637000.db2.gz GUUONFIFZULHCR-NWDGAFQWSA-N 1 3 228.380 1.731 20 0 BDADHO CS[C@@H]1CC[C@H]1[NH2+]CC[C@H](C)N(C)C ZINC000895291372 583637155 /nfs/dbraw/zinc/63/71/55/583637155.db2.gz FAJPIINLFCTBEI-HBNTYKKESA-N 1 3 216.394 1.810 20 0 BDADHO CS[C@@H]1CC[C@H]1NCC[C@H](C)[NH+](C)C ZINC000895291372 583637157 /nfs/dbraw/zinc/63/71/57/583637157.db2.gz FAJPIINLFCTBEI-HBNTYKKESA-N 1 3 216.394 1.810 20 0 BDADHO CC1=NO[C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000895302970 583644916 /nfs/dbraw/zinc/64/49/16/583644916.db2.gz XZGMUNKUIHBKGN-RYUDHWBXSA-N 1 3 239.363 1.614 20 0 BDADHO C[C@@H]1[C@H](Nc2cc[nH+]cc2C2CC2)CCN1C ZINC000895733913 583717164 /nfs/dbraw/zinc/71/71/64/583717164.db2.gz HOKXQDPLLKCNHG-ZWNOBZJWSA-N 1 3 231.343 1.885 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000883441102 583814411 /nfs/dbraw/zinc/81/44/11/583814411.db2.gz HDQVFKYVSDSDCT-NWBUJAPZSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000883441102 583814412 /nfs/dbraw/zinc/81/44/12/583814412.db2.gz HDQVFKYVSDSDCT-NWBUJAPZSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000883441103 583815531 /nfs/dbraw/zinc/81/55/31/583815531.db2.gz HDQVFKYVSDSDCT-SJHCENCUSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000883441103 583815534 /nfs/dbraw/zinc/81/55/34/583815534.db2.gz HDQVFKYVSDSDCT-SJHCENCUSA-N 1 3 238.375 1.659 20 0 BDADHO CCO[C@H](CN[C@H]1CC[C@H]1SC)C[NH+](C)C ZINC000896880098 583845114 /nfs/dbraw/zinc/84/51/14/583845114.db2.gz NJMCCMNNCMNRJL-GRYCIOLGSA-N 1 3 246.420 1.437 20 0 BDADHO OCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000151173773 583962127 /nfs/dbraw/zinc/96/21/27/583962127.db2.gz LVTYGLVYUSKYEO-UHFFFAOYSA-N 1 3 249.358 1.366 20 0 BDADHO C[C@@H]1C[C@H](Nc2ccnc(CO)c2)CC[N@@H+]1C ZINC000858423318 588953418 /nfs/dbraw/zinc/95/34/18/588953418.db2.gz CRWQHHQKAJDRRW-ZYHUDNBSSA-N 1 3 235.331 1.469 20 0 BDADHO C[C@@H]1C[C@H](Nc2ccnc(CO)c2)CC[N@H+]1C ZINC000858423318 588953419 /nfs/dbraw/zinc/95/34/19/588953419.db2.gz CRWQHHQKAJDRRW-ZYHUDNBSSA-N 1 3 235.331 1.469 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccnc(CO)c2)C1 ZINC000858436734 588954855 /nfs/dbraw/zinc/95/48/55/588954855.db2.gz OPTIHRWNVYPXNI-BXUZGUMPSA-N 1 3 249.358 1.859 20 0 BDADHO CN(CCC[NH+]1CCCC1)c1ccnc(CO)c1 ZINC000858526829 588962899 /nfs/dbraw/zinc/96/28/99/588962899.db2.gz KRKFJTMJCZNFBH-UHFFFAOYSA-N 1 3 249.358 1.496 20 0 BDADHO c1cc(C2=CCC[NH2+]C2)cc2c1CNC2 ZINC000899322908 584196686 /nfs/dbraw/zinc/19/66/86/584196686.db2.gz BQLFCLHWWSDSHV-UHFFFAOYSA-N 1 3 200.285 1.667 20 0 BDADHO C[C@@H](CCNc1ccnc(CO)c1)[NH+](C)C ZINC000858625522 588971728 /nfs/dbraw/zinc/97/17/28/588971728.db2.gz VAOSWLMAYNQKJR-JTQLQIEISA-N 1 3 223.320 1.326 20 0 BDADHO CC1(C[NH2+][C@H]2CCNCC(C)(C)C2)COC1 ZINC000902319363 584551437 /nfs/dbraw/zinc/55/14/37/584551437.db2.gz MPCBFAVQJGUOKD-NSHDSACASA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902371743 584566617 /nfs/dbraw/zinc/56/66/17/584566617.db2.gz UOYCUDGQOMJBRR-GRYCIOLGSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@H](C[C@H](C)O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371743 584566618 /nfs/dbraw/zinc/56/66/18/584566618.db2.gz UOYCUDGQOMJBRR-GRYCIOLGSA-N 1 3 228.380 1.514 20 0 BDADHO CO[C@@H](C)[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375088 584567078 /nfs/dbraw/zinc/56/70/78/584567078.db2.gz ABHBAEYTAPHYHD-SDDRHHMPSA-N 1 3 228.380 1.778 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000902360684 584571644 /nfs/dbraw/zinc/57/16/44/584571644.db2.gz LYCCNSPKQCMNMT-YNEHKIRRSA-N 1 3 238.375 1.291 20 0 BDADHO CC(C)(CO)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361220 584572594 /nfs/dbraw/zinc/57/25/94/584572594.db2.gz KHFWLYGTUJDHCH-NSHDSACASA-N 1 3 228.380 1.373 20 0 BDADHO CC(C)(CO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902361220 584572596 /nfs/dbraw/zinc/57/25/96/584572596.db2.gz KHFWLYGTUJDHCH-NSHDSACASA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388287 584579823 /nfs/dbraw/zinc/57/98/23/584579823.db2.gz OIBUZDCMVQLUJU-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO COc1ccc([C@H](C)[NH2+]CC2(N)CC2)cc1F ZINC000902415741 584589705 /nfs/dbraw/zinc/58/97/05/584589705.db2.gz PXHANRVOIUOTDD-VIFPVBQESA-N 1 3 238.306 1.976 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CN1C1CC1 ZINC000902474490 584602228 /nfs/dbraw/zinc/60/22/28/584602228.db2.gz FPECVYALCYHSLE-KLKTVBQGSA-N 1 3 235.375 1.094 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902475971 584602610 /nfs/dbraw/zinc/60/26/10/584602610.db2.gz KQBDHXUECULBAZ-PZWNZHSQSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC2(C)C)CN1C1CC1 ZINC000902448955 584605497 /nfs/dbraw/zinc/60/54/97/584605497.db2.gz KBLOOKQGZPZWDJ-WZRBSPASSA-N 1 3 237.391 1.199 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452867 584608152 /nfs/dbraw/zinc/60/81/52/584608152.db2.gz MTGRGFATDMFNEI-UXIJPVMISA-N 1 3 234.343 1.022 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452867 584608155 /nfs/dbraw/zinc/60/81/55/584608155.db2.gz MTGRGFATDMFNEI-UXIJPVMISA-N 1 3 234.343 1.022 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC000902454398 584608815 /nfs/dbraw/zinc/60/88/15/584608815.db2.gz HKIQPWNXCVHMFL-CKIKVBCHSA-N 1 3 208.349 1.905 20 0 BDADHO C1=CCC[C@H](CN[C@H]2C[NH2+]CCOC2)CCC1 ZINC000902457991 584610342 /nfs/dbraw/zinc/61/03/42/584610342.db2.gz WILTUABZJACHAE-KBPBESRZSA-N 1 3 238.375 1.701 20 0 BDADHO CC1(C)CCN(CC[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000902457008 584610386 /nfs/dbraw/zinc/61/03/86/584610386.db2.gz RQKOVOFPVBSZSZ-NEPJUHHUSA-N 1 3 225.380 1.188 20 0 BDADHO C1CC2(C1)CC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470262 584616822 /nfs/dbraw/zinc/61/68/22/584616822.db2.gz VQSKVDXURAJQFM-IRCOFANPSA-N 1 3 206.333 1.802 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902502887 584620678 /nfs/dbraw/zinc/62/06/78/584620678.db2.gz HEIVZNXYAKKGEN-RWMBFGLXSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1CC=CC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000902504266 584621070 /nfs/dbraw/zinc/62/10/70/584621070.db2.gz NGEXVCZRZVAHNH-CCEZWXGKSA-N 1 3 232.371 1.927 20 0 BDADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1[C@@H]2NC[C@@H]3C[C@H]1C[C@@H]32 ZINC000902504266 584621072 /nfs/dbraw/zinc/62/10/72/584621072.db2.gz NGEXVCZRZVAHNH-CCEZWXGKSA-N 1 3 232.371 1.927 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCCN2)[C@@H](C)O1 ZINC000902481735 584623978 /nfs/dbraw/zinc/62/39/78/584623978.db2.gz GHGJJMRYDAPYOT-NDBYEHHHSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902482493 584624065 /nfs/dbraw/zinc/62/40/65/584624065.db2.gz LZUSOGRBJMZTKY-UPJWGTAASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cncc(F)c1 ZINC000902486920 584626164 /nfs/dbraw/zinc/62/61/64/584626164.db2.gz IGTNVELHTTUIRC-KBVBSXBZSA-N 1 3 223.295 1.609 20 0 BDADHO Cc1nn(C)cc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489321 584627374 /nfs/dbraw/zinc/62/73/74/584627374.db2.gz OXKPVOYHTHMEDR-LSJOCFKGSA-N 1 3 222.336 1.116 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000902514163 584629519 /nfs/dbraw/zinc/62/95/19/584629519.db2.gz RJQRHBJGVACJNK-CHWSQXEVSA-N 1 3 219.332 1.402 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1COC[C@H]1C1CC1 ZINC000902517533 584630165 /nfs/dbraw/zinc/63/01/65/584630165.db2.gz JBVCWMMCCFPNHV-SAXRGWBVSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902517533 584630166 /nfs/dbraw/zinc/63/01/66/584630166.db2.gz JBVCWMMCCFPNHV-SAXRGWBVSA-N 1 3 238.375 1.389 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902518429 584630669 /nfs/dbraw/zinc/63/06/69/584630669.db2.gz LCOZYAZPXHWGBE-XUXIUFHCSA-N 1 3 238.375 1.519 20 0 BDADHO CC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903056633 584722581 /nfs/dbraw/zinc/72/25/81/584722581.db2.gz WYVOEHXWNHWODE-CRMUJIHISA-N 1 3 238.375 1.505 20 0 BDADHO CC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056633 584722582 /nfs/dbraw/zinc/72/25/82/584722582.db2.gz WYVOEHXWNHWODE-CRMUJIHISA-N 1 3 238.375 1.505 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCOC12CCCC2)CN(C)C ZINC000903174727 584732500 /nfs/dbraw/zinc/73/25/00/584732500.db2.gz NBNIGLWPDBGMPS-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903454649 584773403 /nfs/dbraw/zinc/77/34/03/584773403.db2.gz HGSICCAUHWMKBP-HHKYUTTNSA-N 1 3 230.302 1.699 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@H+]1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000903454649 584773404 /nfs/dbraw/zinc/77/34/04/584773404.db2.gz HGSICCAUHWMKBP-HHKYUTTNSA-N 1 3 230.302 1.699 20 0 BDADHO [NH3+]CCCN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491213 584780918 /nfs/dbraw/zinc/78/09/18/584780918.db2.gz ZIWUSLNTESUDNR-UONOGXRCSA-N 1 3 216.328 1.609 20 0 BDADHO [NH3+]CCOCCN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000903491130 584781111 /nfs/dbraw/zinc/78/11/11/584781111.db2.gz WVNZGRSPHJFHFV-CABCVRRESA-N 1 3 246.354 1.235 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)[C@@H](C)CN1C ZINC000903752428 584795394 /nfs/dbraw/zinc/79/53/94/584795394.db2.gz NVSLYWLYIMTIPO-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO COCC[N@@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903815583 584800616 /nfs/dbraw/zinc/80/06/16/584800616.db2.gz RPNJBIZHFIWVSJ-LBPRGKRZSA-N 1 3 226.364 1.616 20 0 BDADHO COCC[N@H+]1CCCC[C@H]1C1(CN)CCC1 ZINC000903815583 584800617 /nfs/dbraw/zinc/80/06/17/584800617.db2.gz RPNJBIZHFIWVSJ-LBPRGKRZSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCSC[C@H]1C ZINC000903832868 584806073 /nfs/dbraw/zinc/80/60/73/584806073.db2.gz SDSMDSTYSMQLCE-UTUOFQBUSA-N 1 3 228.405 1.669 20 0 BDADHO COCCCCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903854466 584809509 /nfs/dbraw/zinc/80/95/09/584809509.db2.gz JGMCJHAQCLKYDG-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CCCCCCO ZINC000903857445 584810109 /nfs/dbraw/zinc/81/01/09/584810109.db2.gz VHJLBKXALSRGQB-CHWSQXEVSA-N 1 3 226.364 1.352 20 0 BDADHO NCCC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903875949 584816372 /nfs/dbraw/zinc/81/63/72/584816372.db2.gz UOANOEHQCYLEHK-OLZOCXBDSA-N 1 3 226.364 1.474 20 0 BDADHO NCCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000903875949 584816374 /nfs/dbraw/zinc/81/63/74/584816374.db2.gz UOANOEHQCYLEHK-OLZOCXBDSA-N 1 3 226.364 1.474 20 0 BDADHO C[C@]1(C2CC2)COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000903881615 584817831 /nfs/dbraw/zinc/81/78/31/584817831.db2.gz HWFLEHIOVUJSLV-GXTWGEPZSA-N 1 3 238.375 1.487 20 0 BDADHO CC[C@@H](C)[NH2+]C[C@@H](CN)Cc1cnn(C)c1C ZINC000903925894 584823675 /nfs/dbraw/zinc/82/36/75/584823675.db2.gz ISYADHQOKFTSGL-ZYHUDNBSSA-N 1 3 238.379 1.234 20 0 BDADHO C[C@@H](CNC[C@@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935512 584825635 /nfs/dbraw/zinc/82/56/35/584825635.db2.gz QVOZZYQXCNBYAX-ONGXEEELSA-N 1 3 243.301 1.757 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCC(C)(C)N)CCO1 ZINC000903938714 584827097 /nfs/dbraw/zinc/82/70/97/584827097.db2.gz IBBKDROAULCRSO-RYUDHWBXSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)[C@@H]1C[C@@H](NCCC(C)(C)[NH3+])CCO1 ZINC000903938714 584827098 /nfs/dbraw/zinc/82/70/98/584827098.db2.gz IBBKDROAULCRSO-RYUDHWBXSA-N 1 3 228.380 1.907 20 0 BDADHO N[C@@H](CNC[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903918046 584827167 /nfs/dbraw/zinc/82/71/67/584827167.db2.gz QYPUHQUBVTYHMG-QWRGUYRKSA-N 1 3 243.301 1.259 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNCc1cc(N)ccn1 ZINC000903953343 584831176 /nfs/dbraw/zinc/83/11/76/584831176.db2.gz DCNGGQKROLYLTQ-LLVKDONJSA-N 1 3 222.336 1.127 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCc1cc(N)ccn1 ZINC000903953868 584831715 /nfs/dbraw/zinc/83/17/15/584831715.db2.gz MIJWJBGOBPMNRI-PWSUYJOCSA-N 1 3 234.347 1.284 20 0 BDADHO Cc1ccc(CNCC[C@@H]2C[NH2+]C[C@H]2C)nc1 ZINC000903973379 584832748 /nfs/dbraw/zinc/83/27/48/584832748.db2.gz AZGTZZMKBKLNDA-CHWSQXEVSA-N 1 3 233.359 1.725 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CNC1Cc2ccccc2C1 ZINC000903967741 584834953 /nfs/dbraw/zinc/83/49/53/584834953.db2.gz MSMFNJGRBKWMDG-RISCZKNCSA-N 1 3 230.355 1.599 20 0 BDADHO Cc1noc(C)c1CN(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904311842 584863027 /nfs/dbraw/zinc/86/30/27/584863027.db2.gz IIXZRNWPEWZEKW-PHIMTYICSA-N 1 3 223.320 1.461 20 0 BDADHO C[C@@]1(CN(CCCCO)C2CC2)CCC[NH2+]C1 ZINC000904321378 584864362 /nfs/dbraw/zinc/86/43/62/584864362.db2.gz YDZWOXLVLCHIGV-CQSZACIVSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@@]1(C[N@H+](CCCCO)C2CC2)CCCNC1 ZINC000904321378 584864364 /nfs/dbraw/zinc/86/43/64/584864364.db2.gz YDZWOXLVLCHIGV-CQSZACIVSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@@]1(C[N@@H+](CCCCO)C2CC2)CCCNC1 ZINC000904321378 584864365 /nfs/dbraw/zinc/86/43/65/584864365.db2.gz YDZWOXLVLCHIGV-CQSZACIVSA-N 1 3 240.391 1.613 20 0 BDADHO Cn1nccc1[C@@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350943 584869310 /nfs/dbraw/zinc/86/93/10/584869310.db2.gz RTKFDNMHHZWHOB-SCRDCRAPSA-N 1 3 248.374 1.684 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1nccn1C1CC1 ZINC000904354892 584871006 /nfs/dbraw/zinc/87/10/06/584871006.db2.gz KRGHKZIDCIOCEK-JTQLQIEISA-N 1 3 222.336 1.435 20 0 BDADHO COC(=O)C(C)(C)CNC[C@]1(C)CCC[NH2+]C1 ZINC000904369122 584872908 /nfs/dbraw/zinc/87/29/08/584872908.db2.gz YPRUHVUPDRRQJL-CYBMUJFWSA-N 1 3 242.363 1.165 20 0 BDADHO COC(=O)C(C)(C)C[NH2+]C[C@]1(C)CCCNC1 ZINC000904369122 584872909 /nfs/dbraw/zinc/87/29/09/584872909.db2.gz YPRUHVUPDRRQJL-CYBMUJFWSA-N 1 3 242.363 1.165 20 0 BDADHO Cc1csc([C@H](C)NC2CC(C[NH3+])C2)n1 ZINC000904365938 584874917 /nfs/dbraw/zinc/87/49/17/584874917.db2.gz CCWYNWMMEQZJFX-IDKOKCKLSA-N 1 3 225.361 1.839 20 0 BDADHO C[C@]12COC[C@H]1C[N@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379814 584876635 /nfs/dbraw/zinc/87/66/35/584876635.db2.gz XWFZFFVFOUWFGU-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@H]1C[N@@H+](C[C@@]1(C)CCCNC1)C2 ZINC000904379814 584876636 /nfs/dbraw/zinc/87/66/36/584876636.db2.gz XWFZFFVFOUWFGU-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO Cc1ncsc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412402 584879524 /nfs/dbraw/zinc/87/95/24/584879524.db2.gz VHSVDSQSNCJDTO-GXSJLCMTSA-N 1 3 239.388 1.868 20 0 BDADHO Cc1n[nH]cc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412325 584879747 /nfs/dbraw/zinc/87/97/47/584879747.db2.gz SCVUIHPXPRRHSU-KOLCDFICSA-N 1 3 222.336 1.135 20 0 BDADHO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000817913696 584991178 /nfs/dbraw/zinc/99/11/78/584991178.db2.gz QUCNESMWVSAIAF-HZSPNIEDSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@](C)(O)c1ccsc1 ZINC000817913935 584991197 /nfs/dbraw/zinc/99/11/97/584991197.db2.gz RLZLJWQBOZDVDG-UMNHJUIQSA-N 1 3 242.388 1.671 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016046 /nfs/dbraw/zinc/01/60/46/585016046.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016045 /nfs/dbraw/zinc/01/60/45/585016045.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016047 /nfs/dbraw/zinc/01/60/47/585016047.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CC[C@H](OC)C2)C1 ZINC000821386130 585016048 /nfs/dbraw/zinc/01/60/48/585016048.db2.gz IWWLWPDNHFTZCL-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000361674979 585025168 /nfs/dbraw/zinc/02/51/68/585025168.db2.gz JBCWAYDKFXECLB-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000361674979 585025169 /nfs/dbraw/zinc/02/51/69/585025169.db2.gz JBCWAYDKFXECLB-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)C2CC2)CC1 ZINC000838813879 585071281 /nfs/dbraw/zinc/07/12/81/585071281.db2.gz DZXMVUYUHLXBAH-CQSZACIVSA-N 1 3 240.391 1.562 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969439 585082777 /nfs/dbraw/zinc/08/27/77/585082777.db2.gz XTWVLXZLTDSGHB-QWHCGFSZSA-N 1 3 226.364 1.173 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969439 585082778 /nfs/dbraw/zinc/08/27/78/585082778.db2.gz XTWVLXZLTDSGHB-QWHCGFSZSA-N 1 3 226.364 1.173 20 0 BDADHO C[NH+](C)[C@H]1CCCN(C[C@@H](O)C2CC2)CC1 ZINC000838969439 585082779 /nfs/dbraw/zinc/08/27/79/585082779.db2.gz XTWVLXZLTDSGHB-QWHCGFSZSA-N 1 3 226.364 1.173 20 0 BDADHO C(CN1CC[C@@H]([NH+]2CCCC2)C1)N1CCCC1 ZINC000741753837 585117628 /nfs/dbraw/zinc/11/76/28/585117628.db2.gz CBKOAJDTYQDXSM-CQSZACIVSA-N 1 3 237.391 1.252 20 0 BDADHO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(N)n1 ZINC000758211827 585351881 /nfs/dbraw/zinc/35/18/81/585351881.db2.gz SXMSLZINGVEAPL-LLVKDONJSA-N 1 3 249.362 1.288 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CCN1C ZINC000767586297 585522736 /nfs/dbraw/zinc/52/27/36/585522736.db2.gz GAHHHCYYVCZVJV-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CCN1C ZINC000767586297 585522737 /nfs/dbraw/zinc/52/27/37/585522737.db2.gz GAHHHCYYVCZVJV-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H](O)C[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000776522072 585700088 /nfs/dbraw/zinc/70/00/88/585700088.db2.gz ZEVSIWMVDVCCJG-LBPRGKRZSA-N 1 3 236.359 1.561 20 0 BDADHO C[C@H](O)C[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000776522072 585700089 /nfs/dbraw/zinc/70/00/89/585700089.db2.gz ZEVSIWMVDVCCJG-LBPRGKRZSA-N 1 3 236.359 1.561 20 0 BDADHO C[C@H](O)CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000776522072 585700090 /nfs/dbraw/zinc/70/00/90/585700090.db2.gz ZEVSIWMVDVCCJG-LBPRGKRZSA-N 1 3 236.359 1.561 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779346092 585752223 /nfs/dbraw/zinc/75/22/23/585752223.db2.gz UHNSWFLGDFINJL-CHWSQXEVSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@@H](CCO)[NH2+]CCCN1CCCC[C@@H]1C ZINC000779384794 585752496 /nfs/dbraw/zinc/75/24/96/585752496.db2.gz OBIVGNZGDQXWNW-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO C[C@@H](CCO)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000779384794 585752497 /nfs/dbraw/zinc/75/24/97/585752497.db2.gz OBIVGNZGDQXWNW-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO C[C@@H](CCO)NCCC[N@H+]1CCCC[C@@H]1C ZINC000779384794 585752498 /nfs/dbraw/zinc/75/24/98/585752498.db2.gz OBIVGNZGDQXWNW-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO CC[C@@](C)(CC(=O)OC)NC[C@@H]1CCC[NH2+]C1 ZINC000843069841 585943759 /nfs/dbraw/zinc/94/37/59/585943759.db2.gz STCHYEOAALNZCV-YPMHNXCESA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]1CCCNC1 ZINC000843069841 585943760 /nfs/dbraw/zinc/94/37/60/585943760.db2.gz STCHYEOAALNZCV-YPMHNXCESA-N 1 3 242.363 1.307 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOc1cccnc1 ZINC000817891828 586832396 /nfs/dbraw/zinc/83/23/96/586832396.db2.gz HPVDKHYASUEZOD-QWRGUYRKSA-N 1 3 223.320 1.176 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1COc2ccccc2C1 ZINC000817892648 586833036 /nfs/dbraw/zinc/83/30/36/586833036.db2.gz VWFSFBNPLMNDDX-YNEHKIRRSA-N 1 3 248.370 1.953 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893312 586834146 /nfs/dbraw/zinc/83/41/46/586834146.db2.gz RBFMTAFRCZXUAQ-OUCADQQQSA-N 1 3 236.359 1.744 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000817898634 586835349 /nfs/dbraw/zinc/83/53/49/586835349.db2.gz IKTDKELPHVPBRW-BDAKNGLRSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1CN)c1ccccc1 ZINC000817912139 586837953 /nfs/dbraw/zinc/83/79/53/586837953.db2.gz FOMQOROPPNJEAR-QEJZJMRPSA-N 1 3 248.370 1.611 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000817912139 586837951 /nfs/dbraw/zinc/83/79/51/586837951.db2.gz FOMQOROPPNJEAR-QEJZJMRPSA-N 1 3 248.370 1.611 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000817912138 586838143 /nfs/dbraw/zinc/83/81/43/586838143.db2.gz FOMQOROPPNJEAR-CFVMTHIKSA-N 1 3 248.370 1.611 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1CN)c1ccccc1 ZINC000817912138 586838146 /nfs/dbraw/zinc/83/81/46/586838146.db2.gz FOMQOROPPNJEAR-CFVMTHIKSA-N 1 3 248.370 1.611 20 0 BDADHO C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000817913145 586838292 /nfs/dbraw/zinc/83/82/92/586838292.db2.gz FYRULMNWGPEFRZ-MCIONIFRSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H]1CCCN1CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000817912270 586838461 /nfs/dbraw/zinc/83/84/61/586838461.db2.gz FTLFXAUBJNLQTB-AGIUHOORSA-N 1 3 225.380 1.058 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC=CO1 ZINC000817924716 586841165 /nfs/dbraw/zinc/84/11/65/586841165.db2.gz VGVGKNHYVAFIOT-JHJVBQTASA-N 1 3 224.348 1.929 20 0 BDADHO [NH3+]CC1CCC(NCc2cccnc2F)CC1 ZINC000817927437 586841287 /nfs/dbraw/zinc/84/12/87/586841287.db2.gz KUGAPNLCUSXUIX-UHFFFAOYSA-N 1 3 237.322 1.828 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC=CO1 ZINC000817924871 586841779 /nfs/dbraw/zinc/84/17/79/586841779.db2.gz ZPQOUIAKIIOGDZ-JHJVBQTASA-N 1 3 224.348 1.657 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000817924871 586841781 /nfs/dbraw/zinc/84/17/81/586841781.db2.gz ZPQOUIAKIIOGDZ-JHJVBQTASA-N 1 3 224.348 1.657 20 0 BDADHO Cc1ccc2c(c1)CC[C@H]2NCCC[NH3+] ZINC000817938053 586844365 /nfs/dbraw/zinc/84/43/65/586844365.db2.gz CLLAZOFVVFYFOF-CYBMUJFWSA-N 1 3 204.317 1.921 20 0 BDADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc2c(c1)CCO2 ZINC000817962653 586853059 /nfs/dbraw/zinc/85/30/59/586853059.db2.gz MZNCAFZJRURVSV-WDEREUQCSA-N 1 3 234.343 1.867 20 0 BDADHO C[C@H](CSC(C)(C)C)NCC1C[NH2+]C1 ZINC000817965220 586853984 /nfs/dbraw/zinc/85/39/84/586853984.db2.gz NYGQAEQHVWNJKE-SECBINFHSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@H](CSC(C)(C)C)[NH2+]CC1CNC1 ZINC000817965220 586853986 /nfs/dbraw/zinc/85/39/86/586853986.db2.gz NYGQAEQHVWNJKE-SECBINFHSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000817970966 586858019 /nfs/dbraw/zinc/85/80/19/586858019.db2.gz ISXUBOLTZVAGJE-UWVGGRQHSA-N 1 3 220.316 1.619 20 0 BDADHO CC[NH2+][C@H](C)CNC1CCC2(CC1)OCCO2 ZINC000817973779 586860481 /nfs/dbraw/zinc/86/04/81/586860481.db2.gz WJJDCKLVAKFDOF-LLVKDONJSA-N 1 3 242.363 1.260 20 0 BDADHO CN(C(=O)c1cccc(CN)c1)C1(C[NH3+])CCC1 ZINC000818597568 586904764 /nfs/dbraw/zinc/90/47/64/586904764.db2.gz YNSXRIJMKPCFCP-UHFFFAOYSA-N 1 3 247.342 1.099 20 0 BDADHO CCCCCCN(C)CC(=O)N(C)CC[NH2+]C ZINC000834419715 587755009 /nfs/dbraw/zinc/75/50/09/587755009.db2.gz QNYJBMGZEUSFRT-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841072957 587942999 /nfs/dbraw/zinc/94/29/99/587942999.db2.gz SYOXTFNZEBVZRA-VLEAKVRGSA-N 1 3 246.445 1.693 20 0 BDADHO Cc1nn(C)c(Cl)c1CN[C@H](C)CCC[NH3+] ZINC000841080032 587945031 /nfs/dbraw/zinc/94/50/31/587945031.db2.gz NCXHFSQSGBHSGW-MRVPVSSYSA-N 1 3 244.770 1.599 20 0 BDADHO CC(C)C[C@H](C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000841848563 587977988 /nfs/dbraw/zinc/97/79/88/587977988.db2.gz MKJFKGWBKSKFQP-CYBMUJFWSA-N 1 3 249.358 1.249 20 0 BDADHO NCc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841850725 587978356 /nfs/dbraw/zinc/97/83/56/587978356.db2.gz FGXXEJAGQPCJHL-QWHCGFSZSA-N 1 3 247.342 1.145 20 0 BDADHO Fc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843339651 588100722 /nfs/dbraw/zinc/10/07/22/588100722.db2.gz CFLDXBRNCCZGSF-RAIGVLPGSA-N 1 3 249.333 1.698 20 0 BDADHO C[C@@H](NCCCCCC[NH3+])c1ncc[nH]1 ZINC000843340836 588101208 /nfs/dbraw/zinc/10/12/08/588101208.db2.gz FSFKVSYXDIXMHS-SNVBAGLBSA-N 1 3 210.325 1.579 20 0 BDADHO C[C@@H](NCCCCCC[NH3+])c1ccn(C)n1 ZINC000843344295 588101779 /nfs/dbraw/zinc/10/17/79/588101779.db2.gz UELVKRRXTCCOKG-LLVKDONJSA-N 1 3 224.352 1.590 20 0 BDADHO CCCCOC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362617 588104324 /nfs/dbraw/zinc/10/43/24/588104324.db2.gz LENQZZPCENNHAH-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO CCCCOC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843365389 588104531 /nfs/dbraw/zinc/10/45/31/588104531.db2.gz GSCUMRDPJQXNLH-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CC(C)CN(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000845996415 588252769 /nfs/dbraw/zinc/25/27/69/588252769.db2.gz OHRQDSBRUAQFSA-AWEZNQCLSA-N 1 3 242.407 1.981 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@H](C)CCO ZINC000846178047 588259285 /nfs/dbraw/zinc/25/92/85/588259285.db2.gz SQYHQELRYGRTCM-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@H](C)CCO ZINC000846178047 588259286 /nfs/dbraw/zinc/25/92/86/588259286.db2.gz SQYHQELRYGRTCM-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc[nH]1 ZINC000848558779 588397147 /nfs/dbraw/zinc/39/71/47/588397147.db2.gz SDDHSWXTSWXCIJ-MXWKQRLJSA-N 1 3 222.336 1.401 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000848716966 588407894 /nfs/dbraw/zinc/40/78/94/588407894.db2.gz PFFBBGXBFUEPRP-UMVBOHGHSA-N 1 3 248.370 1.888 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000848716962 588407918 /nfs/dbraw/zinc/40/79/18/588407918.db2.gz PFFBBGXBFUEPRP-GZBFAFLISA-N 1 3 248.370 1.888 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000848719564 588408422 /nfs/dbraw/zinc/40/84/22/588408422.db2.gz JUDUSSFQUKHJLZ-IJLUTSLNSA-N 1 3 238.331 1.481 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000848719921 588408678 /nfs/dbraw/zinc/40/86/78/588408678.db2.gz OUPDHIBETOWVNB-UTUOFQBUSA-N 1 3 212.337 1.007 20 0 BDADHO CCN(CC)[C@H](CNC(=[NH2+])NC)CC(C)C ZINC000848984012 588424748 /nfs/dbraw/zinc/42/47/48/588424748.db2.gz CVZIPWCLGUHGTK-NSHDSACASA-N 1 3 228.384 1.487 20 0 BDADHO CCNC(=[NH2+])NC[C@H](CC(C)C)N(CC)CC ZINC000848984137 588424868 /nfs/dbraw/zinc/42/48/68/588424868.db2.gz RYRANPODLABTPI-LBPRGKRZSA-N 1 3 242.411 1.877 20 0 BDADHO CC[C@@H](CNC(=[NH2+])NC1CCC1)N1CCCC1 ZINC000848986328 588425575 /nfs/dbraw/zinc/42/55/75/588425575.db2.gz CLILDKALPYAPNL-LBPRGKRZSA-N 1 3 238.379 1.527 20 0 BDADHO CCCCNC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030023 588442339 /nfs/dbraw/zinc/44/23/39/588442339.db2.gz DGXOLHONJSGCOS-SNVBAGLBSA-N 1 3 214.357 1.098 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771946 588625833 /nfs/dbraw/zinc/62/58/33/588625833.db2.gz SKPKXJSDRRZANG-RYUDHWBXSA-N 1 3 242.363 1.021 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771946 588625834 /nfs/dbraw/zinc/62/58/34/588625834.db2.gz SKPKXJSDRRZANG-RYUDHWBXSA-N 1 3 242.363 1.021 20 0 BDADHO FC(F)OCCN1CCC2(CC[NH2+]C2)CC1 ZINC000852749320 588697082 /nfs/dbraw/zinc/69/70/82/588697082.db2.gz KNAAJUVRIGQYMJ-UHFFFAOYSA-N 1 3 234.290 1.301 20 0 BDADHO CO[C@@H](CN1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000852743873 588698042 /nfs/dbraw/zinc/69/80/42/588698042.db2.gz MRJRCHCWRVDIOA-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)C1CCC1 ZINC000852743873 588698043 /nfs/dbraw/zinc/69/80/43/588698043.db2.gz MRJRCHCWRVDIOA-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@@H](CN)C1)C1CCC1 ZINC000852743873 588698044 /nfs/dbraw/zinc/69/80/44/588698044.db2.gz MRJRCHCWRVDIOA-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC000863484016 589293205 /nfs/dbraw/zinc/29/32/05/589293205.db2.gz GKMIVWRBORKBAP-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+]CCc1ccc(CNCC2=CCCOC2)cc1 ZINC000863641489 589306296 /nfs/dbraw/zinc/30/62/96/589306296.db2.gz FCQCEQNTXLEJLR-UHFFFAOYSA-N 1 3 246.354 1.624 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000863644080 589306738 /nfs/dbraw/zinc/30/67/38/589306738.db2.gz JIRCUDKJNPNGLY-WDEREUQCSA-N 1 3 212.337 1.286 20 0 BDADHO Cc1ccc(CCC[N@@H+](C)C[C@@H](C)N)cn1 ZINC000863651410 589307600 /nfs/dbraw/zinc/30/76/00/589307600.db2.gz HQXSREVDHGHYFD-LLVKDONJSA-N 1 3 221.348 1.602 20 0 BDADHO Cc1ccc(CCC[N@H+](C)C[C@@H](C)N)cn1 ZINC000863651410 589307601 /nfs/dbraw/zinc/30/76/01/589307601.db2.gz HQXSREVDHGHYFD-LLVKDONJSA-N 1 3 221.348 1.602 20 0 BDADHO C[NH+](C)CCCCNCc1cn(C2CC2)cn1 ZINC000865436234 589435878 /nfs/dbraw/zinc/43/58/78/589435878.db2.gz YBPIRLTWDYBJPA-UHFFFAOYSA-N 1 3 236.363 1.649 20 0 BDADHO C[C@H](C1CC1)[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000866585204 589501770 /nfs/dbraw/zinc/50/17/70/589501770.db2.gz VMXNWGORPMTVET-KGYLQXTDSA-N 1 3 208.349 1.811 20 0 BDADHO C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000866585204 589501771 /nfs/dbraw/zinc/50/17/71/589501771.db2.gz VMXNWGORPMTVET-KGYLQXTDSA-N 1 3 208.349 1.811 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000866665090 589509482 /nfs/dbraw/zinc/50/94/82/589509482.db2.gz SPAMCXRPFUWDTO-IHRRRGAJSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000866665090 589509483 /nfs/dbraw/zinc/50/94/83/589509483.db2.gz SPAMCXRPFUWDTO-IHRRRGAJSA-N 1 3 238.375 1.487 20 0 BDADHO C1=CC[C@@H]2C[N@@H+](C[C@@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000866701912 589513577 /nfs/dbraw/zinc/51/35/77/589513577.db2.gz RGVLHKWWNNIOOJ-MJBXVCDLSA-N 1 3 248.370 1.405 20 0 BDADHO C1=CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000866701912 589513578 /nfs/dbraw/zinc/51/35/78/589513578.db2.gz RGVLHKWWNNIOOJ-MJBXVCDLSA-N 1 3 248.370 1.405 20 0 BDADHO COC[C@@H](C)[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866706212 589514167 /nfs/dbraw/zinc/51/41/67/589514167.db2.gz NGRBMERKKSLHGX-DGCLKSJQSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@@H](C)[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866706212 589514168 /nfs/dbraw/zinc/51/41/68/589514168.db2.gz NGRBMERKKSLHGX-DGCLKSJQSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987478 589706677 /nfs/dbraw/zinc/70/66/77/589706677.db2.gz JAIWMJXNUQNTSW-MFKMUULPSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC[C@H]1CC2(CCC2)CO1 ZINC000872141812 589882446 /nfs/dbraw/zinc/88/24/46/589882446.db2.gz URENPENCVXGHOE-CHWSQXEVSA-N 1 3 240.391 1.909 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CC2(CCC2)CO1 ZINC000872145636 589884195 /nfs/dbraw/zinc/88/41/95/589884195.db2.gz VQEFOMCMSSXLKX-VXGBXAGGSA-N 1 3 240.391 1.909 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCOC2)C1 ZINC000872250914 589900502 /nfs/dbraw/zinc/90/05/02/589900502.db2.gz DTBMGGZYWORNNG-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000872253018 589900674 /nfs/dbraw/zinc/90/06/74/589900674.db2.gz YOHHKWZKJDHUOJ-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)CCNCCN1C(=O)CCCCC[NH3+] ZINC000872297191 589906994 /nfs/dbraw/zinc/90/69/94/589906994.db2.gz JFMZSPGKJQOLFP-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H](NCc1cc2c(s1)CCNC2)[C@H](C)[NH3+] ZINC000873213435 589997526 /nfs/dbraw/zinc/99/75/26/589997526.db2.gz ZMOODAGUKLPHQY-DTWKUNHWSA-N 1 3 239.388 1.219 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000873244632 590006675 /nfs/dbraw/zinc/00/66/75/590006675.db2.gz TZTFPWDRNCXYJU-GARJFASQSA-N 1 3 216.394 1.988 20 0 BDADHO Cc1nc([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000873248895 590007209 /nfs/dbraw/zinc/00/72/09/590007209.db2.gz GMVHUSKZPQVOFO-QNSHHTMESA-N 1 3 225.361 1.839 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc[nH]1 ZINC000873260889 590013817 /nfs/dbraw/zinc/01/38/17/590013817.db2.gz JMALORZUSYXGJZ-YFKTTZPYSA-N 1 3 234.347 1.591 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1c2ccccc2CN1C ZINC000873263908 590014759 /nfs/dbraw/zinc/01/47/59/590014759.db2.gz AGQJRUZVYXUPQE-HUBLWGQQSA-N 1 3 247.386 1.889 20 0 BDADHO Cc1nccnc1[C@H](C)N[C@H](C)C1CC[NH2+]CC1 ZINC000873268616 590015617 /nfs/dbraw/zinc/01/56/17/590015617.db2.gz FVDZGDZHSUEWPZ-PWSUYJOCSA-N 1 3 248.374 1.824 20 0 BDADHO CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000873266789 590015744 /nfs/dbraw/zinc/01/57/44/590015744.db2.gz QNOZSFUPUXFVAX-ZNMIVQPWSA-N 1 3 245.370 1.643 20 0 BDADHO C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270984 590016233 /nfs/dbraw/zinc/01/62/33/590016233.db2.gz DLFSHRFYDPTBNJ-NTZNESFSSA-N 1 3 248.374 1.867 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1cc(N)cc(F)c1 ZINC000873291552 590023328 /nfs/dbraw/zinc/02/33/28/590023328.db2.gz XDHUCYNGWIJOIO-DTWKUNHWSA-N 1 3 225.311 1.623 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134363 590290862 /nfs/dbraw/zinc/29/08/62/590290862.db2.gz QLSCJSFROSLEGO-YNEHKIRRSA-N 1 3 247.342 1.423 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877741284 590409166 /nfs/dbraw/zinc/40/91/66/590409166.db2.gz MKAOZVTZYPZFLU-WOPDTQHZSA-N 1 3 212.337 1.047 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877741284 590409169 /nfs/dbraw/zinc/40/91/69/590409169.db2.gz MKAOZVTZYPZFLU-WOPDTQHZSA-N 1 3 212.337 1.047 20 0 BDADHO C[NH+]1CCC2(CCN(CCF)CC2)CC1 ZINC000879250234 590721756 /nfs/dbraw/zinc/72/17/56/590721756.db2.gz QCPWSKVLIQHQNB-UHFFFAOYSA-N 1 3 214.328 1.764 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569963 590807044 /nfs/dbraw/zinc/80/70/44/590807044.db2.gz CSCNMJDTYIBYTB-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCOC(C)(C)C)CC[C@H]21 ZINC000879569963 590807046 /nfs/dbraw/zinc/80/70/46/590807046.db2.gz CSCNMJDTYIBYTB-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO C[N@@H+]1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570787 590811300 /nfs/dbraw/zinc/81/13/00/590811300.db2.gz FTVMTJHFUJUMPN-IGQOVBAYSA-N 1 3 238.375 1.316 20 0 BDADHO C[N@H+]1CC[C@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@@H]21 ZINC000879570787 590811304 /nfs/dbraw/zinc/81/13/04/590811304.db2.gz FTVMTJHFUJUMPN-IGQOVBAYSA-N 1 3 238.375 1.316 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCN3C)C2)O1 ZINC000879583349 590821309 /nfs/dbraw/zinc/82/13/09/590821309.db2.gz XYNDMYZIHHTTEO-XJFOESAGSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCN3C)C2)O1 ZINC000879583349 590821311 /nfs/dbraw/zinc/82/13/11/590821311.db2.gz XYNDMYZIHHTTEO-XJFOESAGSA-N 1 3 238.375 1.580 20 0 BDADHO CC(=O)C[N@H+](CC(C)C)CC1CCN(C)CC1 ZINC000879705119 590852675 /nfs/dbraw/zinc/85/26/75/590852675.db2.gz LDYVONOHMODYEN-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CC(=O)C[N@@H+](CC(C)C)CC1CCN(C)CC1 ZINC000879705119 590852679 /nfs/dbraw/zinc/85/26/79/590852679.db2.gz LDYVONOHMODYEN-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880142971 590945036 /nfs/dbraw/zinc/94/50/36/590945036.db2.gz WYABWXQEBJVFQF-RDBSUJKOSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880142971 590945037 /nfs/dbraw/zinc/94/50/37/590945037.db2.gz WYABWXQEBJVFQF-RDBSUJKOSA-N 1 3 237.391 1.249 20 0 BDADHO C[C@@H](CO)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261848 590980845 /nfs/dbraw/zinc/98/08/45/590980845.db2.gz YVKJRZPLOREXAI-OLZOCXBDSA-N 1 3 249.358 1.221 20 0 BDADHO c1ncc2c(n1)CCN(CCC1CC[NH2+]CC1)C2 ZINC000883462005 591673995 /nfs/dbraw/zinc/67/39/95/591673995.db2.gz HZVQKVXBGMFRHI-UHFFFAOYSA-N 1 3 246.358 1.224 20 0 BDADHO C1CSC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000220672390 592321465 /nfs/dbraw/zinc/32/14/65/592321465.db2.gz KAAREGDEPKFPJD-WDEREUQCSA-N 1 3 214.378 1.614 20 0 BDADHO C1CSC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000220672390 592321471 /nfs/dbraw/zinc/32/14/71/592321471.db2.gz KAAREGDEPKFPJD-WDEREUQCSA-N 1 3 214.378 1.614 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886829759 592351133 /nfs/dbraw/zinc/35/11/33/592351133.db2.gz GTPCWQMKYFMVQP-IHRRRGAJSA-N 1 3 240.391 1.907 20 0 BDADHO C([C@H]1C[C@@]12CCOC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832965 592355349 /nfs/dbraw/zinc/35/53/49/592355349.db2.gz QRANYWUFSKQWBS-HZSPNIEDSA-N 1 3 236.359 1.098 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886840170 592360110 /nfs/dbraw/zinc/36/01/10/592360110.db2.gz VGVNGOIMCROIQM-DGAVXFQQSA-N 1 3 238.375 1.804 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1C[C@@]13CCOC3)C2 ZINC000886841270 592361329 /nfs/dbraw/zinc/36/13/29/592361329.db2.gz GTQZJBRKFVJXON-RQJABVFESA-N 1 3 236.359 1.226 20 0 BDADHO COC1CC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000220841116 592365554 /nfs/dbraw/zinc/36/55/54/592365554.db2.gz JJGLXWWJBRMXRZ-TUUUFIMRSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000220841116 592365557 /nfs/dbraw/zinc/36/55/57/592365557.db2.gz JJGLXWWJBRMXRZ-TUUUFIMRSA-N 1 3 224.348 1.380 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859990 592372072 /nfs/dbraw/zinc/37/20/72/592372072.db2.gz MTKZMKDEVHIIPC-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO FCCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874740 592377514 /nfs/dbraw/zinc/37/75/14/592377514.db2.gz VQINYMUBQGDYJJ-LBPRGKRZSA-N 1 3 214.328 1.812 20 0 BDADHO CO[C@H](C)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134461 592450056 /nfs/dbraw/zinc/45/00/56/592450056.db2.gz KAXHYOGAJARLKV-QWHCGFSZSA-N 1 3 249.358 1.627 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000887359142 592489808 /nfs/dbraw/zinc/48/98/08/592489808.db2.gz HPEMAEJPHUJRJQ-LBPRGKRZSA-N 1 3 238.379 1.385 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000300233231 592505184 /nfs/dbraw/zinc/50/51/84/592505184.db2.gz PNUNUEWIVLRKDC-SDDRHHMPSA-N 1 3 214.353 1.110 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300231336 592505208 /nfs/dbraw/zinc/50/52/08/592505208.db2.gz GRMILDFQIMCGRW-SRVKXCTJSA-N 1 3 214.353 1.253 20 0 BDADHO CC[C@](C)(O)CN1C2CCC1(C[NH3+])CC2 ZINC001576961642 993469797 /nfs/dbraw/zinc/46/97/97/993469797.db2.gz VPZIWUWOKCUZON-CXQJBGSLSA-N 1 3 212.337 1.103 20 0 BDADHO C[C@@H]([NH3+])[C@H](NC[C@@H]1CCCN1C)c1ccccc1 ZINC000925716566 634447632 /nfs/dbraw/zinc/44/76/32/634447632.db2.gz AACJZCUQYCLISH-SNPRPXQTSA-N 1 3 247.386 1.759 20 0 BDADHO CC1CC(C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925719615 634456276 /nfs/dbraw/zinc/45/62/76/634456276.db2.gz AUUZJEWNSVYOAJ-HTAVTVPLSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1cc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000925831223 635468624 /nfs/dbraw/zinc/46/86/24/635468624.db2.gz CZXWXCUCDWRJTO-VXGBXAGGSA-N 1 3 236.363 1.131 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NC[C@]12CCC[C@H]1OCC2 ZINC000925834635 635481919 /nfs/dbraw/zinc/48/19/19/635481919.db2.gz XTMDGDGITLPDPC-XJFOESAGSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CCS1 ZINC000925857095 635548538 /nfs/dbraw/zinc/54/85/38/635548538.db2.gz HDZGCYGCVGQMDQ-KKOKHZNYSA-N 1 3 228.405 1.988 20 0 BDADHO CSC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000235120731 631985612 /nfs/dbraw/zinc/98/56/12/631985612.db2.gz UINDATKQXOYQQP-UWVGGRQHSA-N 1 3 214.378 1.599 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000849027849 631999674 /nfs/dbraw/zinc/99/96/74/631999674.db2.gz LDZYXDBHGBUSTO-LBPRGKRZSA-N 1 3 240.395 1.631 20 0 BDADHO CC(C)NC(=[NH2+])NCCN1CCCCCC1 ZINC000052043200 632054833 /nfs/dbraw/zinc/05/48/33/632054833.db2.gz FSPLVIUAOSDROW-UHFFFAOYSA-N 1 3 226.368 1.385 20 0 BDADHO Cc1ncoc1CNCC1CC[NH+](C)CC1 ZINC000894242065 635765864 /nfs/dbraw/zinc/76/58/64/635765864.db2.gz RGHFELNZUMEZAJ-UHFFFAOYSA-N 1 3 223.320 1.414 20 0 BDADHO CN(CC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250017266 632540467 /nfs/dbraw/zinc/54/04/67/632540467.db2.gz XEBRFTRJTHTDMR-PIGZVRMJSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@H](O)CC2CCCC2)C1 ZINC000310082812 632701298 /nfs/dbraw/zinc/70/12/98/632701298.db2.gz KQPKKVWPTIBQOL-KGLIPLIRSA-N 1 3 240.391 1.598 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC(C)(C)F ZINC000926781690 633058278 /nfs/dbraw/zinc/05/82/78/633058278.db2.gz XZCDVEBKPSQNTJ-ZACCUICWSA-N 1 3 214.328 1.664 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCC(C)(C)F ZINC000926781690 633058282 /nfs/dbraw/zinc/05/82/82/633058282.db2.gz XZCDVEBKPSQNTJ-ZACCUICWSA-N 1 3 214.328 1.664 20 0 BDADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)[C@H]1CCSC1 ZINC000328444631 633766503 /nfs/dbraw/zinc/76/65/03/633766503.db2.gz NRGUXHYWNBZYEW-JIMTYQMOSA-N 1 3 238.400 1.326 20 0 BDADHO C1[NH2+][C@H]2[C@H](NC3CCCCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000328567240 633775287 /nfs/dbraw/zinc/77/52/87/633775287.db2.gz NPTOLLLSTXDAIL-GOCOPAARSA-N 1 3 220.360 1.905 20 0 BDADHO C[C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328565773 633775972 /nfs/dbraw/zinc/77/59/72/633775972.db2.gz LYVWNHHRWBVENH-LZRJYULZSA-N 1 3 220.360 1.761 20 0 BDADHO CC1(C)C[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328575017 633779823 /nfs/dbraw/zinc/77/98/23/633779823.db2.gz XPCYRGCKGLTMHZ-NURVWSNCSA-N 1 3 220.360 1.619 20 0 BDADHO C[C@H]1OCC[C@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676281 634263835 /nfs/dbraw/zinc/26/38/35/634263835.db2.gz ZMQBPGZKHSTARZ-GWOFURMSSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925676281 634263836 /nfs/dbraw/zinc/26/38/36/634263836.db2.gz ZMQBPGZKHSTARZ-GWOFURMSSA-N 1 3 210.321 1.023 20 0 BDADHO Cn1cnc2cc(C[NH2+][C@H]3CCC[C@@H]3N)ccc21 ZINC000259102184 635243015 /nfs/dbraw/zinc/24/30/15/635243015.db2.gz SFTXVDHBYHCVBX-RYUDHWBXSA-N 1 3 244.342 1.543 20 0 BDADHO COC[C@@H](C[NH2+][C@@H](C)C1CNC1)C(C)C ZINC000925874521 635595399 /nfs/dbraw/zinc/59/53/99/635595399.db2.gz SJFVOJUHIBLXLC-CMPLNLGQSA-N 1 3 214.353 1.103 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000089146639 636904967 /nfs/dbraw/zinc/90/49/67/636904967.db2.gz WDZOKLLONBHSJY-XUXIUFHCSA-N 1 3 240.391 1.645 20 0 BDADHO [O-]c1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000904434734 637402459 /nfs/dbraw/zinc/40/24/59/637402459.db2.gz YIWYYNSNPWBEKR-YNEHKIRRSA-N 1 3 247.342 1.265 20 0 BDADHO [O-]c1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000904434732 637403237 /nfs/dbraw/zinc/40/32/37/637403237.db2.gz YIWYYNSNPWBEKR-JHJVBQTASA-N 1 3 247.342 1.265 20 0 BDADHO [NH3+]C1(CNC[C@@H]2CCOc3ccccc32)CC1 ZINC000904448547 637412567 /nfs/dbraw/zinc/41/25/67/637412567.db2.gz AYNYCSNEVQMQPI-NSHDSACASA-N 1 3 232.327 1.634 20 0 BDADHO CSCC(C)(C)NC[C@H]([NH3+])CC(F)F ZINC000904477413 637428589 /nfs/dbraw/zinc/42/85/89/637428589.db2.gz VTEDNIBIMXQCNC-SSDOTTSWSA-N 1 3 226.336 1.700 20 0 BDADHO Nc1ccncc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000904765558 637475288 /nfs/dbraw/zinc/47/52/88/637475288.db2.gz FXYWNVBLSRUEHW-UHFFFAOYSA-N 1 3 243.314 1.282 20 0 BDADHO [NH3+]C1CC(NCCSCc2ccccc2)C1 ZINC000906511474 638185791 /nfs/dbraw/zinc/18/57/91/638185791.db2.gz VVKHEHQUSZFXOM-UHFFFAOYSA-N 1 3 236.384 1.999 20 0 BDADHO C[C@H](C[NH2+][C@H]1C[C@H](N)C1)c1ccccc1 ZINC000906517006 638187311 /nfs/dbraw/zinc/18/73/11/638187311.db2.gz BZQALMTUINOYSR-RAIGVLPGSA-N 1 3 204.317 1.869 20 0 BDADHO C[C@H](CN[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906517006 638187312 /nfs/dbraw/zinc/18/73/12/638187312.db2.gz BZQALMTUINOYSR-RAIGVLPGSA-N 1 3 204.317 1.869 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712741 639739834 /nfs/dbraw/zinc/73/98/34/639739834.db2.gz DCAWRLADWIGDDR-SDDRHHMPSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000911800142 639823084 /nfs/dbraw/zinc/82/30/84/639823084.db2.gz OOQFXWRBHRTHHB-QWRGUYRKSA-N 1 3 243.395 1.384 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867868 639853481 /nfs/dbraw/zinc/85/34/81/639853481.db2.gz NVCMDZGZFDHHMS-MNOVXSKESA-N 1 3 243.395 1.193 20 0 BDADHO C[NH+](C)[C@@H]1[C@H]2CN(CC[C@@H]3CCCO3)C[C@H]21 ZINC000931279164 640133077 /nfs/dbraw/zinc/13/30/77/640133077.db2.gz ZYAVVUNFYQXDHL-WUHRBBMRSA-N 1 3 224.348 1.047 20 0 BDADHO CO[C@@H](C)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931310809 640146460 /nfs/dbraw/zinc/14/64/60/640146460.db2.gz HZQMRELEFHCWEG-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO CO[C@@H](C)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931310809 640146463 /nfs/dbraw/zinc/14/64/63/640146463.db2.gz HZQMRELEFHCWEG-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO C[NH+](C)C1(C)CCN(C[C@H]2CCOC2)CC1 ZINC000931350066 640168217 /nfs/dbraw/zinc/16/82/17/640168217.db2.gz RKYAENKXNHWCMR-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)C1(C)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000931350066 640168221 /nfs/dbraw/zinc/16/82/21/640168221.db2.gz RKYAENKXNHWCMR-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO COC/C(C)=C/CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931443448 640205430 /nfs/dbraw/zinc/20/54/30/640205430.db2.gz YEDRCFBMRBPHKC-QSTROWBPSA-N 1 3 238.375 1.463 20 0 BDADHO COC/C(C)=C/CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931443448 640205437 /nfs/dbraw/zinc/20/54/37/640205437.db2.gz YEDRCFBMRBPHKC-QSTROWBPSA-N 1 3 238.375 1.463 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000924853528 640288520 /nfs/dbraw/zinc/28/85/20/640288520.db2.gz PABQWKWYKZWQGG-MNOVXSKESA-N 1 3 237.347 1.778 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCS[C@@H](C)[C@@H]1C ZINC000222027242 640450987 /nfs/dbraw/zinc/45/09/87/640450987.db2.gz VKHAWIJOKKCWGO-RHYQMDGZSA-N 1 3 228.405 1.668 20 0 BDADHO C[C@H]1CC[N@H+](CC[C@H]2CCCN2C)CCO1 ZINC000932346144 640487130 /nfs/dbraw/zinc/48/71/30/640487130.db2.gz FUKJKCGCHIXKHW-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H]1CC[N@@H+](CC[C@H]2CCCN2C)CCO1 ZINC000932346144 640487142 /nfs/dbraw/zinc/48/71/42/640487142.db2.gz FUKJKCGCHIXKHW-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CCN(CCC[NH+]1CCCCC1)CCC(N)=O ZINC000932478680 640545746 /nfs/dbraw/zinc/54/57/46/640545746.db2.gz JOKMBAIPKHDGAQ-UHFFFAOYSA-N 1 3 241.379 1.060 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CCCCCCO)C1 ZINC000226418779 640762561 /nfs/dbraw/zinc/76/25/61/640762561.db2.gz XKIDBSXYHJMQJA-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227542879 640838639 /nfs/dbraw/zinc/83/86/39/640838639.db2.gz FWEUKUPVMIDZJJ-GSVCSZOMSA-N 1 3 232.327 1.898 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000169068772 640841546 /nfs/dbraw/zinc/84/15/46/640841546.db2.gz FCCMTBDJNQJSFL-GMTAPVOTSA-N 1 3 216.394 1.845 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000228335735 640870776 /nfs/dbraw/zinc/87/07/76/640870776.db2.gz GFABVYDYNSZTNV-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000228335735 640870780 /nfs/dbraw/zinc/87/07/80/640870780.db2.gz GFABVYDYNSZTNV-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO COCC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000070084586 642969291 /nfs/dbraw/zinc/96/92/91/642969291.db2.gz BROQQOBMHRIOAG-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1nccs1 ZINC000084216783 643650231 /nfs/dbraw/zinc/65/02/31/643650231.db2.gz VGRZYZGMTIWQRQ-QWRGUYRKSA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nccs1 ZINC000084216783 643650233 /nfs/dbraw/zinc/65/02/33/643650233.db2.gz VGRZYZGMTIWQRQ-QWRGUYRKSA-N 1 3 239.388 1.793 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269471 643672467 /nfs/dbraw/zinc/67/24/67/643672467.db2.gz NPFLSUMEJCTTDD-KGLIPLIRSA-N 1 3 238.375 1.999 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269471 643672469 /nfs/dbraw/zinc/67/24/69/643672469.db2.gz NPFLSUMEJCTTDD-KGLIPLIRSA-N 1 3 238.375 1.999 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H](O)Cc2ccccc2)C1 ZINC000923281612 644316078 /nfs/dbraw/zinc/31/60/78/644316078.db2.gz QGCMHXWGKKCCHC-LSDHHAIUSA-N 1 3 248.370 1.261 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923356778 644376564 /nfs/dbraw/zinc/37/65/64/644376564.db2.gz ULHGJWLONJUHDK-STQMWFEESA-N 1 3 228.380 1.454 20 0 BDADHO CCOCCOCCN[C@H](C[NH3+])C(C)(C)C ZINC000923366967 644379204 /nfs/dbraw/zinc/37/92/04/644379204.db2.gz BRHBKGDLWTZIKB-LLVKDONJSA-N 1 3 232.368 1.003 20 0 BDADHO CCCCOC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368590 644380629 /nfs/dbraw/zinc/38/06/29/644380629.db2.gz RVUNRQYTPXRPDI-NEPJUHHUSA-N 1 3 246.395 1.127 20 0 BDADHO CCCCCC[C@@H](O)C[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000923368496 644382157 /nfs/dbraw/zinc/38/21/57/644382157.db2.gz QIPDMTJRVOVWLO-XQQFMLRXSA-N 1 3 228.380 1.739 20 0 BDADHO CCCCCC[C@@H](O)C[N@H+]1CC[C@H](N)[C@@H]1C ZINC000923368496 644382159 /nfs/dbraw/zinc/38/21/59/644382159.db2.gz QIPDMTJRVOVWLO-XQQFMLRXSA-N 1 3 228.380 1.739 20 0 BDADHO NCC(C[NH3+])N[C@H]1CCc2c1cccc2Cl ZINC000923359505 644384827 /nfs/dbraw/zinc/38/48/27/644384827.db2.gz SGUNQDZWNDKCSZ-LBPRGKRZSA-N 1 3 239.750 1.203 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@@]2(C1)CCCOC2 ZINC000923395868 644402253 /nfs/dbraw/zinc/40/22/53/644402253.db2.gz WHIMVXFXPYBSIG-CQSZACIVSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)C1(F)F ZINC000923398621 644404460 /nfs/dbraw/zinc/40/44/60/644404460.db2.gz MHLLFVZYWVISIP-SSRBZLIGSA-N 1 3 248.317 1.060 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000923426032 644419271 /nfs/dbraw/zinc/41/92/71/644419271.db2.gz BKZVXUPJCLADLO-TZMCWYRMSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000923426032 644419273 /nfs/dbraw/zinc/41/92/73/644419273.db2.gz BKZVXUPJCLADLO-TZMCWYRMSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000923426032 644419282 /nfs/dbraw/zinc/41/92/82/644419282.db2.gz BKZVXUPJCLADLO-TZMCWYRMSA-N 1 3 238.375 1.629 20 0 BDADHO C(CC1CCC1)C[NH+]1CCNCCNCC1 ZINC000923461359 644446049 /nfs/dbraw/zinc/44/60/49/644446049.db2.gz WDLGKFWLAKHERC-UHFFFAOYSA-N 1 3 225.380 1.062 20 0 BDADHO C[C@@H](c1ccccc1)N1CCNCC[NH2+]CC1 ZINC000923463919 644448347 /nfs/dbraw/zinc/44/83/47/644448347.db2.gz IVUSHAPPEFKFBK-ZDUSSCGKSA-N 1 3 233.359 1.242 20 0 BDADHO C[C@@H]1CN(Cc2ccns2)CC[C@H]1C[NH3+] ZINC000923492136 644467071 /nfs/dbraw/zinc/46/70/71/644467071.db2.gz WGEQKMQAHYPIBV-ZJUUUORDSA-N 1 3 225.361 1.560 20 0 BDADHO Cc1ccc([C@@H](O)CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000923515430 644479545 /nfs/dbraw/zinc/47/95/45/644479545.db2.gz UPKBSCVMWONHMW-YUELXQCFSA-N 1 3 248.370 1.555 20 0 BDADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)C1 ZINC000796749573 644813465 /nfs/dbraw/zinc/81/34/65/644813465.db2.gz YSEKCVPOPPREMU-FQUUOJAGSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1ncc[nH]1 ZINC000844922013 645347649 /nfs/dbraw/zinc/34/76/49/645347649.db2.gz YXJDDOYHKMPQIC-VIFPVBQESA-N 1 3 208.309 1.189 20 0 BDADHO C[C@@H]1C[C@@H]1[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925488170 645502647 /nfs/dbraw/zinc/50/26/47/645502647.db2.gz BTELVZZLZRWPQV-GCHJQGSQSA-N 1 3 208.349 1.761 20 0 BDADHO C[C@@H]1C[C@@H]1N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925488170 645502657 /nfs/dbraw/zinc/50/26/57/645502657.db2.gz BTELVZZLZRWPQV-GCHJQGSQSA-N 1 3 208.349 1.761 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924704684 646092849 /nfs/dbraw/zinc/09/28/49/646092849.db2.gz GZZFSEIIXIKTGG-UONOGXRCSA-N 1 3 247.386 1.944 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCOC1 ZINC000924726214 646097317 /nfs/dbraw/zinc/09/73/17/646097317.db2.gz LUBKZDNNMLBDTD-ICIURTGMSA-N 1 3 238.375 1.343 20 0 BDADHO CC1(C)[C@H](N[C@@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571183 646339281 /nfs/dbraw/zinc/33/92/81/646339281.db2.gz AWQLEAYDWYQBCS-WISYIIOYSA-N 1 3 240.416 1.858 20 0 BDADHO CC1(C)[C@H]([NH2+][C@@H]2CCSC2)[C@@H]2CCCN[C@@H]21 ZINC000925571183 646339285 /nfs/dbraw/zinc/33/92/85/646339285.db2.gz AWQLEAYDWYQBCS-WISYIIOYSA-N 1 3 240.416 1.858 20 0 BDADHO Cc1cnccc1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925627459 646374671 /nfs/dbraw/zinc/37/46/71/646374671.db2.gz YZKIMQLKIMCTPV-KBPBESRZSA-N 1 3 245.370 1.792 20 0 BDADHO CC(C)[C@H]([NH2+][C@H]1CCNC12CCC2)C(C)(C)O ZINC000925660124 646396456 /nfs/dbraw/zinc/39/64/56/646396456.db2.gz ZZDBPWFBYVFGBP-RYUDHWBXSA-N 1 3 240.391 1.656 20 0 BDADHO FC1(F)CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925660320 646396471 /nfs/dbraw/zinc/39/64/71/646396471.db2.gz KZXGBNZXFUTFAS-LLVKDONJSA-N 1 3 248.317 1.390 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925678035 646407742 /nfs/dbraw/zinc/40/77/42/646407742.db2.gz YNMACCAQSUVXRF-CHWFTXMASA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925678035 646407747 /nfs/dbraw/zinc/40/77/47/646407747.db2.gz YNMACCAQSUVXRF-CHWFTXMASA-N 1 3 212.337 1.269 20 0 BDADHO C(C[NH2+][C@@H]1CCNC12CCC2)C[C@H]1CCOC1 ZINC000925687226 646413124 /nfs/dbraw/zinc/41/31/24/646413124.db2.gz GLIYOLTXSURJQB-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO CCCN1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925708343 646432803 /nfs/dbraw/zinc/43/28/03/646432803.db2.gz SJJITEYDXLQMAY-OLZOCXBDSA-N 1 3 237.391 1.345 20 0 BDADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2ccc[nH]c2=O)C1 ZINC000925720682 646446552 /nfs/dbraw/zinc/44/65/52/646446552.db2.gz ZTIBVDRGPXSFDA-VXGBXAGGSA-N 1 3 249.358 1.783 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccns1 ZINC000925730746 646453329 /nfs/dbraw/zinc/45/33/29/646453329.db2.gz IHDFRYFICFIQIB-IUCAKERBSA-N 1 3 213.350 1.401 20 0 BDADHO CC1(C)C[C@H]([NH3+])C[C@@H](NCc2cc(N)ccn2)C1 ZINC000925768096 646468643 /nfs/dbraw/zinc/46/86/43/646468643.db2.gz SKFHIQPGRJKLOY-VXGBXAGGSA-N 1 3 248.374 1.659 20 0 BDADHO C[C@@H](NCCN1CCC([NH3+])CC1)c1ccoc1 ZINC000925812645 646491114 /nfs/dbraw/zinc/49/11/14/646491114.db2.gz XRZBVTIEPDZEHO-LLVKDONJSA-N 1 3 237.347 1.353 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC000925826283 646498306 /nfs/dbraw/zinc/49/83/06/646498306.db2.gz GTXMBKQEKMAWJK-NURSFMCSSA-N 1 3 249.358 1.534 20 0 BDADHO C[C@@H]1Cc2cc(C[NH2+][C@H]3CCC[C@@H]3N)ccc2O1 ZINC000925829302 646500086 /nfs/dbraw/zinc/50/00/86/646500086.db2.gz AUYAYHIXWVEFGL-SWHYSGLUSA-N 1 3 246.354 1.979 20 0 BDADHO Cc1cc(CCN[C@H]2CCC[C@@H]([NH3+])C2)nn1C ZINC000925831208 646501730 /nfs/dbraw/zinc/50/17/30/646501730.db2.gz CZXWXCUCDWRJTO-NEPJUHHUSA-N 1 3 236.363 1.131 20 0 BDADHO C[C@@H]([NH2+]CC1CCC=CCC1)C1CNC1 ZINC000925882102 646531660 /nfs/dbraw/zinc/53/16/60/646531660.db2.gz WRGKNBQPBNDOAP-LLVKDONJSA-N 1 3 208.349 1.930 20 0 BDADHO C[C@H](NC1([C@H]2CCCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000925893202 646535635 /nfs/dbraw/zinc/53/56/35/646535635.db2.gz MZABUVHNUMVDDI-RWMBFGLXSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1COC[C@H]1C)N1CCCCC1 ZINC000926144411 646584067 /nfs/dbraw/zinc/58/40/67/646584067.db2.gz PKVIZROKYBZABT-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CCN[C@@H]1COC[C@H]1C)[NH+]1CCCCC1 ZINC000926144411 646584070 /nfs/dbraw/zinc/58/40/70/646584070.db2.gz PKVIZROKYBZABT-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC(O)C1 ZINC000926289535 646613386 /nfs/dbraw/zinc/61/33/86/646613386.db2.gz WPDXECDHYPHADP-HPCMXSDISA-N 1 3 238.375 1.077 20 0 BDADHO CC(C)CCN1CCC([NH2+]CCCCO)CC1 ZINC000926305999 646614833 /nfs/dbraw/zinc/61/48/33/646614833.db2.gz WNRCRUOKBRQMBX-UHFFFAOYSA-N 1 3 242.407 1.859 20 0 BDADHO CC1(C)CO[C@@H](CN2CC[C@@](C)(C[NH3+])C2)C1 ZINC000708323452 712187270 /nfs/dbraw/zinc/18/72/70/712187270.db2.gz NBRMOURLRDHOKP-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CCC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708991064 712205116 /nfs/dbraw/zinc/20/51/16/712205116.db2.gz LHTYGNLICSUFFO-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)C1 ZINC000710326353 712251803 /nfs/dbraw/zinc/25/18/03/712251803.db2.gz VYJRAGPINRDKJR-REWJHTLYSA-N 1 3 240.391 1.731 20 0 BDADHO CC1(C)[C@@H]2CN(CCC[NH2+]C3CC3)C[C@@H]21 ZINC000379567803 712388788 /nfs/dbraw/zinc/38/87/88/712388788.db2.gz REBPEVGVPXFLCK-TXEJJXNPSA-N 1 3 208.349 1.716 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](CCCNC3CC3)C[C@@H]21 ZINC000379567803 712388789 /nfs/dbraw/zinc/38/87/89/712388789.db2.gz REBPEVGVPXFLCK-TXEJJXNPSA-N 1 3 208.349 1.716 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](CCCNC3CC3)C[C@@H]21 ZINC000379567803 712388791 /nfs/dbraw/zinc/38/87/91/712388791.db2.gz REBPEVGVPXFLCK-TXEJJXNPSA-N 1 3 208.349 1.716 20 0 BDADHO C[N@H+](CCCOC(F)(F)F)C1CCNCC1 ZINC000713398364 712459219 /nfs/dbraw/zinc/45/92/19/712459219.db2.gz JCMYBVMQRGSMTR-UHFFFAOYSA-N 1 3 240.269 1.597 20 0 BDADHO C[N@@H+](CCCOC(F)(F)F)C1CCNCC1 ZINC000713398364 712459220 /nfs/dbraw/zinc/45/92/20/712459220.db2.gz JCMYBVMQRGSMTR-UHFFFAOYSA-N 1 3 240.269 1.597 20 0 BDADHO CN(CCCOC(F)(F)F)C1CC[NH2+]CC1 ZINC000713398364 712459221 /nfs/dbraw/zinc/45/92/21/712459221.db2.gz JCMYBVMQRGSMTR-UHFFFAOYSA-N 1 3 240.269 1.597 20 0 BDADHO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C1CNC1 ZINC000716020864 712546962 /nfs/dbraw/zinc/54/69/62/712546962.db2.gz FTLWKBGOGVXESL-KVAMGIGCSA-N 1 3 240.416 1.858 20 0 BDADHO CC1(C)[C@@H]2CN(C[C@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000380392062 712900496 /nfs/dbraw/zinc/90/04/96/712900496.db2.gz CQCJBQUORRXEPJ-UPJWGTAASA-N 1 3 238.375 1.031 20 0 BDADHO C[C@]1(CN)CC[N@H+](CCCCCCO)C1 ZINC000389611022 711082771 /nfs/dbraw/zinc/08/27/71/711082771.db2.gz DKRWOJPAWDXNLS-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CCCCCCO)C1 ZINC000389611022 711082776 /nfs/dbraw/zinc/08/27/76/711082776.db2.gz DKRWOJPAWDXNLS-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO [NH3+][C@H](CC(F)F)CN1CCN(C2CCC2)CC1 ZINC000393969820 711180564 /nfs/dbraw/zinc/18/05/64/711180564.db2.gz LAFXZDCCVLCWFB-SNVBAGLBSA-N 1 3 247.333 1.139 20 0 BDADHO Cn1ncc(Cl)c1CNC1CCC([NH3+])CC1 ZINC000394595421 711195752 /nfs/dbraw/zinc/19/57/52/711195752.db2.gz HCEFDIRDNJJEGE-UHFFFAOYSA-N 1 3 242.754 1.433 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@H]2CCCOC2)C[NH2+]1 ZINC000398989355 711417627 /nfs/dbraw/zinc/41/76/27/711417627.db2.gz JLSJACCNWDOZPL-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C[N@H+](CCCN)CC[C@@H]1CC1(Cl)Cl ZINC000399270090 711426365 /nfs/dbraw/zinc/42/63/65/711426365.db2.gz UAKHGSWWWCBSJJ-MRVPVSSYSA-N 1 3 225.163 1.851 20 0 BDADHO C[N@@H+](CCCN)CC[C@@H]1CC1(Cl)Cl ZINC000399270090 711426370 /nfs/dbraw/zinc/42/63/70/711426370.db2.gz UAKHGSWWWCBSJJ-MRVPVSSYSA-N 1 3 225.163 1.851 20 0 BDADHO CN(CCC[NH3+])CC[C@@H]1CC1(Cl)Cl ZINC000399270090 711426374 /nfs/dbraw/zinc/42/63/74/711426374.db2.gz UAKHGSWWWCBSJJ-MRVPVSSYSA-N 1 3 225.163 1.851 20 0 BDADHO COC[C@@H](C[N@H+](C)CCCN)C(C)C ZINC000721965364 710695512 /nfs/dbraw/zinc/69/55/12/710695512.db2.gz QFIBQAWPKUYCBT-LLVKDONJSA-N 1 3 202.342 1.186 20 0 BDADHO COC[C@@H](C[N@@H+](C)CCCN)C(C)C ZINC000721965364 710695515 /nfs/dbraw/zinc/69/55/15/710695515.db2.gz QFIBQAWPKUYCBT-LLVKDONJSA-N 1 3 202.342 1.186 20 0 BDADHO COC[C@@H](CN(C)CCC[NH3+])C(C)C ZINC000721965364 710695517 /nfs/dbraw/zinc/69/55/17/710695517.db2.gz QFIBQAWPKUYCBT-LLVKDONJSA-N 1 3 202.342 1.186 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CC23CC(O)C3)CC1 ZINC000724991147 710752539 /nfs/dbraw/zinc/75/25/39/710752539.db2.gz AZJHVPZGFVRDRD-ROKHWSDSSA-N 1 3 238.375 1.362 20 0 BDADHO CCSCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396688163 711364816 /nfs/dbraw/zinc/36/48/16/711364816.db2.gz YBJRIPNRBYGGDZ-GHMZBOCLSA-N 1 3 216.394 1.860 20 0 BDADHO CCOCC(C)(C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396668658 711362413 /nfs/dbraw/zinc/36/24/13/711362413.db2.gz PTYNHDWCXHOAJJ-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CSC2)C1 ZINC000307428578 711480099 /nfs/dbraw/zinc/48/00/99/711480099.db2.gz UEIPVOVGYVZGAT-GXSJLCMTSA-N 1 3 214.378 1.564 20 0 BDADHO C[NH+](C)C1(CNc2ccncc2CO)CCCC1 ZINC000891775012 711545471 /nfs/dbraw/zinc/54/54/71/711545471.db2.gz ILPUTZHQCVXHRL-UHFFFAOYSA-N 1 3 249.358 1.282 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088426 711560147 /nfs/dbraw/zinc/56/01/47/711560147.db2.gz MXSXGOBWNURDTD-AEJSXWLSSA-N 1 3 208.309 1.188 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[C@H]1O ZINC000926548629 711636319 /nfs/dbraw/zinc/63/63/19/711636319.db2.gz AVRLBJWZIAWGJH-UKIXVXPJSA-N 1 3 238.375 1.077 20 0 BDADHO C[C@H](NC[C@H]1CC2(CCC2)CO1)[C@H]1CC[NH2+]C1 ZINC000925773975 711745749 /nfs/dbraw/zinc/74/57/49/711745749.db2.gz QTNSXAAHGNNPDG-RWMBFGLXSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000925787596 711751213 /nfs/dbraw/zinc/75/12/13/711751213.db2.gz YINVSHOXYYRVAD-JHJVBQTASA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cscn1 ZINC000722521086 711761240 /nfs/dbraw/zinc/76/12/40/711761240.db2.gz OAWHIJXCBAHCIA-NXEZZACHSA-N 1 3 225.361 1.478 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@@H]([C@H](C)N)C1)C(C)C ZINC000721913913 711918450 /nfs/dbraw/zinc/91/84/50/711918450.db2.gz QQKQFULMHPWAHT-MJBXVCDLSA-N 1 3 242.407 1.964 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@@H]([C@H](C)N)C1)C(C)C ZINC000721913913 711918451 /nfs/dbraw/zinc/91/84/51/711918451.db2.gz QQKQFULMHPWAHT-MJBXVCDLSA-N 1 3 242.407 1.964 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000721927934 711937890 /nfs/dbraw/zinc/93/78/90/711937890.db2.gz NRPWLRHAHWDUOA-FQUUOJAGSA-N 1 3 238.375 1.472 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC000721927934 711937892 /nfs/dbraw/zinc/93/78/92/711937892.db2.gz NRPWLRHAHWDUOA-FQUUOJAGSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405965 711991986 /nfs/dbraw/zinc/99/19/86/711991986.db2.gz UOCVIOKPQWZAEK-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO COC1CCC([NH2+]CC[C@H](C)N(C)C)CC1 ZINC000700542895 711996718 /nfs/dbraw/zinc/99/67/18/711996718.db2.gz XECFZTQBTWDHJI-HIFPTAJRSA-N 1 3 228.380 1.874 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CO[C@@H](C3CC3)C2)C12CCC2 ZINC000700990861 712011221 /nfs/dbraw/zinc/01/12/21/712011221.db2.gz ISHZLJFCNCFJGX-LOWDOPEQSA-N 1 3 236.359 1.413 20 0 BDADHO CC1(O)CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000703602933 712081753 /nfs/dbraw/zinc/08/17/53/712081753.db2.gz MSSUJIPRKNXHKK-QCXCNERSSA-N 1 3 226.364 1.397 20 0 BDADHO COC1CC(C[N@@H+]2CCCC[C@H]2CCN)C1 ZINC000703866483 712091594 /nfs/dbraw/zinc/09/15/94/712091594.db2.gz DUSNMVFBTZVMPV-CPCZMJQVSA-N 1 3 226.364 1.615 20 0 BDADHO COC1CC(C[N@H+]2CCCC[C@H]2CCN)C1 ZINC000703866483 712091596 /nfs/dbraw/zinc/09/15/96/712091596.db2.gz DUSNMVFBTZVMPV-CPCZMJQVSA-N 1 3 226.364 1.615 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)c1ccncc1CO ZINC000705128921 712122471 /nfs/dbraw/zinc/12/24/71/712122471.db2.gz OSLVTZBSVMLHPT-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccncc1CO ZINC000705128921 712122472 /nfs/dbraw/zinc/12/24/72/712122472.db2.gz OSLVTZBSVMLHPT-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO COCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000709285905 712219285 /nfs/dbraw/zinc/21/92/85/712219285.db2.gz QQLJPQCYWUSPIB-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709407927 712221477 /nfs/dbraw/zinc/22/14/77/712221477.db2.gz QXFMHNQLTSOQNE-HNGCFSAESA-N 1 3 226.364 1.266 20 0 BDADHO C[C@@H]1C[C@H](NCCc2ccns2)CC[N@@H+]1C ZINC000709826012 712228973 /nfs/dbraw/zinc/22/89/73/712228973.db2.gz OSWSUXXEHZAVER-GHMZBOCLSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@@H]1C[C@H](NCCc2ccns2)CC[N@H+]1C ZINC000709826012 712228975 /nfs/dbraw/zinc/22/89/75/712228975.db2.gz OSWSUXXEHZAVER-GHMZBOCLSA-N 1 3 239.388 1.758 20 0 BDADHO CN(CCCCCC[NH3+])C[C@@H](O)C(F)(F)F ZINC000710705106 712254624 /nfs/dbraw/zinc/25/46/24/712254624.db2.gz HZXXMIVGFSAXIW-SECBINFHSA-N 1 3 242.285 1.361 20 0 BDADHO C[C@H](NC[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241531 712291267 /nfs/dbraw/zinc/29/12/67/712291267.db2.gz XHCWLYYGPIALQM-CMPLNLGQSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CCOC2CC2)C1 ZINC000711734115 712320656 /nfs/dbraw/zinc/32/06/56/712320656.db2.gz YHZCOBCERANOFQ-MNOVXSKESA-N 1 3 212.337 1.225 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1CCOC1CC1 ZINC000711755117 712324812 /nfs/dbraw/zinc/32/48/12/712324812.db2.gz WRJNVZSAJSNBHQ-NSHDSACASA-N 1 3 212.337 1.369 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(C2CCC2)CC1 ZINC000378911078 712367116 /nfs/dbraw/zinc/36/71/16/712367116.db2.gz ROVBCJPHGKIHDK-OLZOCXBDSA-N 1 3 237.391 1.012 20 0 BDADHO C[N@@H+]1CC[C@@H]1CNc1ccnc2ccccc21 ZINC000712593867 712435619 /nfs/dbraw/zinc/43/56/19/712435619.db2.gz FLXAKJUEHCWWDZ-LLVKDONJSA-N 1 3 227.311 1.773 20 0 BDADHO C[N@H+]1CC[C@@H]1CNc1ccnc2ccccc21 ZINC000712593867 712435620 /nfs/dbraw/zinc/43/56/20/712435620.db2.gz FLXAKJUEHCWWDZ-LLVKDONJSA-N 1 3 227.311 1.773 20 0 BDADHO CC1(C)CCNCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000712555156 712445488 /nfs/dbraw/zinc/44/54/88/712445488.db2.gz RGBHEUXSMVFHAG-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CC1(C)CCNCC[N@H+]1C[C@@H]1CCCCO1 ZINC000712555156 712445490 /nfs/dbraw/zinc/44/54/90/712445490.db2.gz RGBHEUXSMVFHAG-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CO[C@H]1C[C@H](CN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000714722024 712496282 /nfs/dbraw/zinc/49/62/82/712496282.db2.gz HYHXPJGKRGDGJE-CYDGBPFRSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1OC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)[C@@H]1C ZINC000715545835 712527158 /nfs/dbraw/zinc/52/71/58/712527158.db2.gz ZBUPGNDBBNZMEQ-BJJPWKGXSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H]1C ZINC000715545835 712527159 /nfs/dbraw/zinc/52/71/59/712527159.db2.gz ZBUPGNDBBNZMEQ-BJJPWKGXSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]([NH3+])CC(=O)Nc1cccc(CN(C)C)c1 ZINC000037607964 712676069 /nfs/dbraw/zinc/67/60/69/712676069.db2.gz NZTZTSKICPCKOR-SNVBAGLBSA-N 1 3 235.331 1.424 20 0 BDADHO C[C@H](Cc1ccco1)NC1CC[NH2+]CC1 ZINC000038041070 712801529 /nfs/dbraw/zinc/80/15/29/712801529.db2.gz GTQHKAWPDKQWTP-SNVBAGLBSA-N 1 3 208.305 1.552 20 0 BDADHO C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCN1C ZINC000719620159 712816979 /nfs/dbraw/zinc/81/69/79/712816979.db2.gz VEWMMZWNKFZYGI-APYLGABCSA-N 1 3 237.391 1.294 20 0 BDADHO C[NH2+]CC1CCN(Cc2cc(C)nnc2C)CC1 ZINC000720586408 712855472 /nfs/dbraw/zinc/85/54/72/712855472.db2.gz DOGZXGMBXLPNGA-UHFFFAOYSA-N 1 3 248.374 1.525 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720875838 712872750 /nfs/dbraw/zinc/87/27/50/712872750.db2.gz XOGANUQSBBYDFX-CYDGBPFRSA-N 1 3 224.348 1.225 20 0 BDADHO Cc1csc(CN2CC[C@@H](CC[NH3+])C2)n1 ZINC000690740271 958876302 /nfs/dbraw/zinc/87/63/02/958876302.db2.gz TWILOJUDGCKZHW-SNVBAGLBSA-N 1 3 225.361 1.622 20 0 BDADHO CCC[C@H](O)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693703722 959206384 /nfs/dbraw/zinc/20/63/84/959206384.db2.gz JEXAOZVHSFTWLV-QNWHQSFQSA-N 1 3 240.391 1.514 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693703722 959206398 /nfs/dbraw/zinc/20/63/98/959206398.db2.gz JEXAOZVHSFTWLV-QNWHQSFQSA-N 1 3 240.391 1.514 20 0 BDADHO COCC1(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603497 960434229 /nfs/dbraw/zinc/43/42/29/960434229.db2.gz NQWPUYHMGKSGHV-GHMZBOCLSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2(C)CCOCC2)CCN1 ZINC000709372514 961239665 /nfs/dbraw/zinc/23/96/65/961239665.db2.gz CRCXDPRLUOEUEH-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1COC[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000688022751 962794092 /nfs/dbraw/zinc/79/40/92/962794092.db2.gz GFACLUDVTMQHOG-KGLIPLIRSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](C[NH+](C)C)Nc1cc(CN(C)C)ccn1 ZINC001155922454 963205483 /nfs/dbraw/zinc/20/54/83/963205483.db2.gz WJRSKOKFZJXHBQ-NSHDSACASA-N 1 3 236.363 1.505 20 0 BDADHO CCCC1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160455280 964303481 /nfs/dbraw/zinc/30/34/81/964303481.db2.gz SJNFKFPAAAYOCO-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO C[C@H](CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)N(C)C ZINC000697994659 964854023 /nfs/dbraw/zinc/85/40/23/964854023.db2.gz XWUABLCKHUDNIB-FVCCEPFGSA-N 1 3 210.365 1.962 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cncn1C ZINC001162459512 964987783 /nfs/dbraw/zinc/98/77/83/964987783.db2.gz ZRCXUPQDCBJFRK-GHMZBOCLSA-N 1 3 222.336 1.468 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN(CC(C)(C)C[NH+](C)C)C2 ZINC001207287832 968718787 /nfs/dbraw/zinc/71/87/87/968718787.db2.gz GRQFCNHBOBJRQR-BETUJISGSA-N 1 3 239.407 1.353 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC001207959473 968952508 /nfs/dbraw/zinc/95/25/08/968952508.db2.gz KOWQDWPDLXPLEW-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CCOCC2(C)C)C1 ZINC001208605478 969154807 /nfs/dbraw/zinc/15/48/07/969154807.db2.gz ALQMAYQEUGFJEP-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CCOCC2(C)C)C1 ZINC001208605478 969154813 /nfs/dbraw/zinc/15/48/13/969154813.db2.gz ALQMAYQEUGFJEP-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001253404726 969159447 /nfs/dbraw/zinc/15/94/47/969159447.db2.gz DWDIJFQELLDVSE-QNWHQSFQSA-N 1 3 240.391 1.514 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@]3(CCO3)C2)C1 ZINC001208613440 969170087 /nfs/dbraw/zinc/17/00/87/969170087.db2.gz UENYJDBIZUMZBF-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@]3(CCO3)C2)C1 ZINC001208613440 969170094 /nfs/dbraw/zinc/17/00/94/969170094.db2.gz UENYJDBIZUMZBF-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO COCOCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209032375 969326072 /nfs/dbraw/zinc/32/60/72/969326072.db2.gz SBPAIPPWCXMKCJ-UHFFFAOYSA-N 1 3 242.363 1.025 20 0 BDADHO C[N@@H+]1CCC[C@@H](N2CCCOCC2)CC1 ZINC001254516488 969693448 /nfs/dbraw/zinc/69/34/48/969693448.db2.gz NACLXMAXOVDPCO-GFCCVEGCSA-N 1 3 212.337 1.193 20 0 BDADHO C[N@H+]1CCC[C@@H](N2CCCOCC2)CC1 ZINC001254516488 969693455 /nfs/dbraw/zinc/69/34/55/969693455.db2.gz NACLXMAXOVDPCO-GFCCVEGCSA-N 1 3 212.337 1.193 20 0 BDADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)CC2)[C@H](C)CO1 ZINC001254528517 969720810 /nfs/dbraw/zinc/72/08/10/969720810.db2.gz GKMDUCQIYIZRRB-UPJWGTAASA-N 1 3 226.364 1.580 20 0 BDADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)CC2)[C@H](C)CO1 ZINC001254528517 969720818 /nfs/dbraw/zinc/72/08/18/969720818.db2.gz GKMDUCQIYIZRRB-UPJWGTAASA-N 1 3 226.364 1.580 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN)C1 ZINC001255348464 970124730 /nfs/dbraw/zinc/12/47/30/970124730.db2.gz IEVIKZLGVWMYRS-QJPTWQEYSA-N 1 3 242.363 1.293 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1C[C@](C)(O)C1 ZINC001255945334 970574687 /nfs/dbraw/zinc/57/46/87/970574687.db2.gz KLVFQKYWOUOZIF-JHJVBQTASA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956241 970594546 /nfs/dbraw/zinc/59/45/46/970594546.db2.gz IXLORQXPINXQOZ-MCIONIFRSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001255956241 970594552 /nfs/dbraw/zinc/59/45/52/970594552.db2.gz IXLORQXPINXQOZ-MCIONIFRSA-N 1 3 242.407 1.810 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@@H](CO)[C@H]1C ZINC001255956241 970594558 /nfs/dbraw/zinc/59/45/58/970594558.db2.gz IXLORQXPINXQOZ-MCIONIFRSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@@H](NCc1cocn1)C1CC[NH2+]CC1 ZINC000400644600 970615321 /nfs/dbraw/zinc/61/53/21/970615321.db2.gz OSMDDGFNGQRLMX-SECBINFHSA-N 1 3 209.293 1.152 20 0 BDADHO CCCCN1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001173365459 975347188 /nfs/dbraw/zinc/34/71/88/975347188.db2.gz IIXOAIOJORQWIL-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCCCN1CCN([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365459 975347195 /nfs/dbraw/zinc/34/71/95/975347195.db2.gz IIXOAIOJORQWIL-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CC[C@@H]([NH2+]CCN(C(C)C)C(C)C)C1 ZINC000328512145 978405010 /nfs/dbraw/zinc/40/50/10/978405010.db2.gz ODHRQDGMTSJGQY-CQSZACIVSA-N 1 3 241.423 1.789 20 0 BDADHO C[C@@H](N)C[N@H+](C)CC/C=C/c1cccnc1 ZINC001236100981 979388762 /nfs/dbraw/zinc/38/87/62/979388762.db2.gz LGFXPTJXAWUOHS-MJRJWQSSSA-N 1 3 219.332 1.764 20 0 BDADHO C[C@@H](N)C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001236100981 979388773 /nfs/dbraw/zinc/38/87/73/979388773.db2.gz LGFXPTJXAWUOHS-MJRJWQSSSA-N 1 3 219.332 1.764 20 0 BDADHO CCC[NH+]1C[C@H]2CN(CCCCCO)C[C@@H]2C1 ZINC001236323211 979536136 /nfs/dbraw/zinc/53/61/36/979536136.db2.gz XSTMHBIIKQVQSX-KBPBESRZSA-N 1 3 240.391 1.423 20 0 BDADHO CCCN1C[C@H]2C[NH+](CCCCCO)C[C@@H]2C1 ZINC001236323211 979536143 /nfs/dbraw/zinc/53/61/43/979536143.db2.gz XSTMHBIIKQVQSX-KBPBESRZSA-N 1 3 240.391 1.423 20 0 BDADHO O[C@@H](CN[C@@H]1C[C@H]1C1CCC1)C[NH+]1CCCC1 ZINC001346352770 980816649 /nfs/dbraw/zinc/81/66/49/980816649.db2.gz JHUNFLLDOXDPCB-MELADBBJSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@H]1CCOCCN1C[C@@H]1CCC[NH2+]C1 ZINC001352775831 982572160 /nfs/dbraw/zinc/57/21/60/982572160.db2.gz ATAHNPUPIDXJFK-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925488976 983784513 /nfs/dbraw/zinc/78/45/13/983784513.db2.gz HSHJHIOXIWTEGT-HZSPNIEDSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)([NH3+])CNc1nccc2c1CCN2 ZINC001171188829 972833633 /nfs/dbraw/zinc/83/36/33/972833633.db2.gz RLCCYDYEJFXRNR-UHFFFAOYSA-N 1 3 206.293 1.199 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246591695 972997606 /nfs/dbraw/zinc/99/76/06/972997606.db2.gz NNZMVYXBJYZYJS-MQYQWHSLSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246591695 972997615 /nfs/dbraw/zinc/99/76/15/972997615.db2.gz NNZMVYXBJYZYJS-MQYQWHSLSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001256628550 970893247 /nfs/dbraw/zinc/89/32/47/970893247.db2.gz JTCZAENEDZGHIQ-HABKJSAYSA-N 1 3 237.391 1.248 20 0 BDADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001256628550 970893249 /nfs/dbraw/zinc/89/32/49/970893249.db2.gz JTCZAENEDZGHIQ-HABKJSAYSA-N 1 3 237.391 1.248 20 0 BDADHO C[C@@H](C[NH3+])CN(C)[C@@H](C)Cc1ccncc1 ZINC001256726733 970947628 /nfs/dbraw/zinc/94/76/28/970947628.db2.gz BLLOASLMTXXPHI-RYUDHWBXSA-N 1 3 221.348 1.539 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@@H]1CCC[C@@H]1[NH3+] ZINC001256732125 970957588 /nfs/dbraw/zinc/95/75/88/970957588.db2.gz AYUXMKWMJZRHEW-KGYLQXTDSA-N 1 3 219.332 1.482 20 0 BDADHO CC(=O)CN(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256855376 970996834 /nfs/dbraw/zinc/99/68/34/970996834.db2.gz KNOGAFNNPISWTR-UHFFFAOYSA-N 1 3 247.342 1.571 20 0 BDADHO CC(C)[NH+]1CCC(N2CCC[C@@H](CO)C2)CC1 ZINC001257213619 971130020 /nfs/dbraw/zinc/13/00/20/971130020.db2.gz RNCHZNDQDXFIIM-CYBMUJFWSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)[NH+]1CCC(N2C[C@H](C)[C@H](O)C2)CC1 ZINC001257215138 971134916 /nfs/dbraw/zinc/13/49/16/971134916.db2.gz SUADGFQJDRAWRZ-WCQYABFASA-N 1 3 226.364 1.172 20 0 BDADHO CC(C)O[C@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000404799535 971180018 /nfs/dbraw/zinc/18/00/18/971180018.db2.gz XZGIKMFOBHVGTN-RDBSUJKOSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)OC ZINC000405215561 971207563 /nfs/dbraw/zinc/20/75/63/971207563.db2.gz JUQZVMAZRNYVGD-ZDEQEGDKSA-N 1 3 240.391 1.907 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405215561 971207569 /nfs/dbraw/zinc/20/75/69/971207569.db2.gz JUQZVMAZRNYVGD-ZDEQEGDKSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)C(C)C ZINC000405214797 971208750 /nfs/dbraw/zinc/20/87/50/971208750.db2.gz JPKWJFKNCINXJB-GRYCIOLGSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)C(C)C ZINC000405214797 971208760 /nfs/dbraw/zinc/20/87/60/971208760.db2.gz JPKWJFKNCINXJB-GRYCIOLGSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)C(C)(C)O ZINC000405226903 971211663 /nfs/dbraw/zinc/21/16/63/971211663.db2.gz DNSLWPOYUXSLCK-GARJFASQSA-N 1 3 226.364 1.395 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)[C@@H](C)O ZINC000405237103 971212672 /nfs/dbraw/zinc/21/26/72/971212672.db2.gz FGDYUZJBMLLUDK-VPOLOUISSA-N 1 3 212.337 1.005 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCc2ccncc2)C12CCC2 ZINC000405271672 971227060 /nfs/dbraw/zinc/22/70/60/971227060.db2.gz VBLDIHUDWPKWBG-QWHCGFSZSA-N 1 3 231.343 1.484 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCOCC(F)F)C12CCC2 ZINC000405293392 971231199 /nfs/dbraw/zinc/23/11/99/971231199.db2.gz ZJUVNTZLMABWKM-IUCAKERBSA-N 1 3 234.290 1.128 20 0 BDADHO CC(C)CCOCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405343691 971241113 /nfs/dbraw/zinc/24/11/13/971241113.db2.gz JPQVVFLNGSOHEP-OLZOCXBDSA-N 1 3 240.391 1.909 20 0 BDADHO CCOC[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405367895 971242067 /nfs/dbraw/zinc/24/20/67/971242067.db2.gz XKSQQNMFCBFHHL-DCAQKATOSA-N 1 3 212.337 1.271 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405367895 971242080 /nfs/dbraw/zinc/24/20/80/971242080.db2.gz XKSQQNMFCBFHHL-DCAQKATOSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@H]1C[C@H](NCC2=CCOCC2)C12CCC2 ZINC000405411357 971252627 /nfs/dbraw/zinc/25/26/27/971252627.db2.gz ULAGDIOAHFKMQN-RYUDHWBXSA-N 1 3 222.332 1.193 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411357 971252637 /nfs/dbraw/zinc/25/26/37/971252637.db2.gz ULAGDIOAHFKMQN-RYUDHWBXSA-N 1 3 222.332 1.193 20 0 BDADHO CCCCOC(=O)CC[C@H](C)[NH2+]C1CC(N)C1 ZINC001257385402 971297828 /nfs/dbraw/zinc/29/78/28/971297828.db2.gz HMJADCCPTTVRTN-UNXYVOJBSA-N 1 3 242.363 1.578 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1CCCSC1 ZINC001257657354 971459053 /nfs/dbraw/zinc/45/90/53/971459053.db2.gz BXKYBSRPAAOSCT-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1CCCSC1 ZINC001257657354 971459059 /nfs/dbraw/zinc/45/90/59/971459059.db2.gz BXKYBSRPAAOSCT-LLVKDONJSA-N 1 3 216.394 1.943 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@H](O)C2)CC1 ZINC001258003008 971551361 /nfs/dbraw/zinc/55/13/61/971551361.db2.gz TWCOLYUDFWDCLN-JOCQHMNTSA-N 1 3 226.364 1.220 20 0 BDADHO N[C@H](C(=O)Nc1ccsc1)C1CC[NH2+]CC1 ZINC001218534931 971855184 /nfs/dbraw/zinc/85/51/84/971855184.db2.gz FJXUAIJPWCDWPY-JTQLQIEISA-N 1 3 239.344 1.014 20 0 BDADHO N[C@H](CCC[NH3+])Nc1cccc2c1CC=C2 ZINC001170899714 972059913 /nfs/dbraw/zinc/05/99/13/972059913.db2.gz DTYQTZZEBDOUBP-ZDUSSCGKSA-N 1 3 217.316 1.692 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc(OC2CC2)cc1 ZINC001170899942 972064339 /nfs/dbraw/zinc/06/43/39/972064339.db2.gz GVJWRHGJLLLHNJ-CYBMUJFWSA-N 1 3 235.331 1.663 20 0 BDADHO C=Cc1ccccc1N[C@H](N)CCC[NH3+] ZINC001170900314 972066581 /nfs/dbraw/zinc/06/65/81/972066581.db2.gz RSFQYZLKEAYPOH-LBPRGKRZSA-N 1 3 205.305 1.765 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246089737 972143178 /nfs/dbraw/zinc/14/31/78/972143178.db2.gz SDUDSVDPTOXKOC-WCQYABFASA-N 1 3 248.374 1.425 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]1CCC[NH2+][C@H]1C ZINC001246115371 972182419 /nfs/dbraw/zinc/18/24/19/972182419.db2.gz YPYJWTRUUDOVNE-HZSPNIEDSA-N 1 3 247.386 1.990 20 0 BDADHO C[C@@H](N)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220511446 972234623 /nfs/dbraw/zinc/23/46/23/972234623.db2.gz XQDQNQHZEQJKIS-SECBINFHSA-N 1 3 241.379 1.101 20 0 BDADHO Cc1ccc(N[C@H]2CC[N@@H+](C)C2)nc1N ZINC001167272914 957613986 /nfs/dbraw/zinc/61/39/86/957613986.db2.gz HXOVCEOOZOGIMD-VIFPVBQESA-N 1 3 206.293 1.088 20 0 BDADHO Cc1ccc(N[C@H]2CC[N@H+](C)C2)nc1N ZINC001167272914 957613989 /nfs/dbraw/zinc/61/39/89/957613989.db2.gz HXOVCEOOZOGIMD-VIFPVBQESA-N 1 3 206.293 1.088 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CCN1 ZINC000707613288 958623249 /nfs/dbraw/zinc/62/32/49/958623249.db2.gz SEYXTVPMJVDDCI-FRRDWIJNSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CCOC3)C2)CCN1 ZINC000707613288 958623252 /nfs/dbraw/zinc/62/32/52/958623252.db2.gz SEYXTVPMJVDDCI-FRRDWIJNSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(C)C)N(C)C ZINC001266972278 958688180 /nfs/dbraw/zinc/68/81/80/958688180.db2.gz YRTMCDZCYSTCNN-NEPJUHHUSA-N 1 3 243.395 1.077 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1CC(C)(C)C[NH+](C)C ZINC001207276107 958846984 /nfs/dbraw/zinc/84/69/84/958846984.db2.gz UKXJCMZFDRVJMC-VXGBXAGGSA-N 1 3 228.380 1.419 20 0 BDADHO COCC[N@H+](C)CC(C)(C)CN(C)C ZINC001207276437 958848917 /nfs/dbraw/zinc/84/89/17/958848917.db2.gz WVPQWYAEPMPYBQ-UHFFFAOYSA-N 1 3 202.342 1.152 20 0 BDADHO COCC[N@@H+](C)CC(C)(C)CN(C)C ZINC001207276437 958848919 /nfs/dbraw/zinc/84/89/19/958848919.db2.gz WVPQWYAEPMPYBQ-UHFFFAOYSA-N 1 3 202.342 1.152 20 0 BDADHO CO[C@H]1CCCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246524304 972388715 /nfs/dbraw/zinc/38/87/15/972388715.db2.gz HLZIONBTFCMJSJ-UTUOFQBUSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246524304 972388730 /nfs/dbraw/zinc/38/87/30/972388730.db2.gz HLZIONBTFCMJSJ-UTUOFQBUSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246524304 972388735 /nfs/dbraw/zinc/38/87/35/972388735.db2.gz HLZIONBTFCMJSJ-UTUOFQBUSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]1[C@H](N)CC[N@@H+]1CCc1cccs1 ZINC000307079581 959033967 /nfs/dbraw/zinc/03/39/67/959033967.db2.gz HUKVAKYGCGBABM-MWLCHTKSSA-N 1 3 210.346 1.712 20 0 BDADHO C[C@@H]1[C@H](N)CC[N@H+]1CCc1cccs1 ZINC000307079581 959033980 /nfs/dbraw/zinc/03/39/80/959033980.db2.gz HUKVAKYGCGBABM-MWLCHTKSSA-N 1 3 210.346 1.712 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCOC(F)(F)F)C12CCC2 ZINC000405213139 959416179 /nfs/dbraw/zinc/41/61/79/959416179.db2.gz DQBUPWICOBKETH-YUMQZZPRSA-N 1 3 238.253 1.382 20 0 BDADHO CC(C)OCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246530830 972435714 /nfs/dbraw/zinc/43/57/14/972435714.db2.gz OHZZDCHYDNHMRR-NEPJUHHUSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)OCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246530830 972435720 /nfs/dbraw/zinc/43/57/20/972435720.db2.gz OHZZDCHYDNHMRR-NEPJUHHUSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)C[NH+]1CCC(N2C[C@@H](F)[C@@H](N)C2)CC1 ZINC001246530851 972436165 /nfs/dbraw/zinc/43/61/65/972436165.db2.gz OITBRHXOBYABDG-OLZOCXBDSA-N 1 3 243.370 1.088 20 0 BDADHO NC[C@@H]1CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC000308868043 959523818 /nfs/dbraw/zinc/52/38/18/959523818.db2.gz RHYYKOYQDLWTAL-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000308868043 959523825 /nfs/dbraw/zinc/52/38/25/959523825.db2.gz RHYYKOYQDLWTAL-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO COCCCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC000308855825 959525163 /nfs/dbraw/zinc/52/51/63/959525163.db2.gz OAWNWRVIDLHUPY-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCC[N@H+]1CCCC[C@@H](CN)C1 ZINC000308855825 959525177 /nfs/dbraw/zinc/52/51/77/959525177.db2.gz OAWNWRVIDLHUPY-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000308963254 959552354 /nfs/dbraw/zinc/55/23/54/959552354.db2.gz KQMOWRJLUJYFAS-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000694767076 959991221 /nfs/dbraw/zinc/99/12/21/959991221.db2.gz XMVJWXYBFFCVCS-NZEXEKPDSA-N 1 3 226.364 1.673 20 0 BDADHO c1cc2c(c(O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)c1)CNC2 ZINC001218479764 960120940 /nfs/dbraw/zinc/12/09/40/960120940.db2.gz RSSIRKFWVZQAPJ-ZKYQVNSYSA-N 1 3 230.311 1.562 20 0 BDADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]C(C)C ZINC001267827503 960410196 /nfs/dbraw/zinc/41/01/96/960410196.db2.gz KIWWMDGJRBGHGG-NEPJUHHUSA-N 1 3 243.395 1.219 20 0 BDADHO CC(C)(C)[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709500105 960625221 /nfs/dbraw/zinc/62/52/21/960625221.db2.gz APHFYNVGBOOFHD-MBYGNEARSA-N 1 3 226.364 1.266 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N(C)C1COC1 ZINC001167824261 961137387 /nfs/dbraw/zinc/13/73/87/961137387.db2.gz CYMHYDCSCHOINA-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO Cc1nc2ccc(NC(=N)SCC[NH3+])cc2[nH]1 ZINC001167915062 961838810 /nfs/dbraw/zinc/83/88/10/961838810.db2.gz QULPSORFAQDOAI-UHFFFAOYSA-N 1 3 249.343 1.910 20 0 BDADHO [NH3+]C[C@@H]1CCCCN(Cc2n[nH]c3c2CCC3)C1 ZINC001206633080 962150585 /nfs/dbraw/zinc/15/05/85/962150585.db2.gz SMIQQNWLXUNBMZ-NSHDSACASA-N 1 3 248.374 1.459 20 0 BDADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+]C(C)C ZINC001482162059 962186850 /nfs/dbraw/zinc/18/68/50/962186850.db2.gz PAAZTKITOPNLLS-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CF)C2)CCN1 ZINC000711468331 962714607 /nfs/dbraw/zinc/71/46/07/962714607.db2.gz WQPWNOWGMPMLDQ-IJLUTSLNSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CF)C2)CCN1 ZINC000711468331 962714594 /nfs/dbraw/zinc/71/45/94/962714594.db2.gz WQPWNOWGMPMLDQ-IJLUTSLNSA-N 1 3 214.328 1.808 20 0 BDADHO Cc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)cc2[nH]ccc21 ZINC001155038296 962947164 /nfs/dbraw/zinc/94/71/64/962947164.db2.gz OGZQPFJPVLWMJH-UWVGGRQHSA-N 1 3 248.305 1.983 20 0 BDADHO C[C@@H](CN(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000714003608 963574378 /nfs/dbraw/zinc/57/43/78/963574378.db2.gz WKQZYDKUPPMYIT-FUDCBSFHSA-N 1 3 239.407 1.541 20 0 BDADHO C[C@@H]1CCCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157781704 963725656 /nfs/dbraw/zinc/72/56/56/963725656.db2.gz UDPVJKJDBBTLSH-NEPJUHHUSA-N 1 3 241.379 1.091 20 0 BDADHO CCN(c1cc(N)c(C)cn1)[C@@H]1CCC[NH2+]C1 ZINC001158205421 963831137 /nfs/dbraw/zinc/83/11/37/963831137.db2.gz QSSQSLILCAELGE-LLVKDONJSA-N 1 3 234.347 1.551 20 0 BDADHO CN(C)c1cccc(N2CCC[C@@](C)(C[NH3+])C2)n1 ZINC001158675324 963900625 /nfs/dbraw/zinc/90/06/25/963900625.db2.gz LJVBMYCIMVSYRX-AWEZNQCLSA-N 1 3 248.374 1.713 20 0 BDADHO Nc1cccc(NCC23CC[NH+](CC2)CC3)n1 ZINC001158824607 963935792 /nfs/dbraw/zinc/93/57/92/963935792.db2.gz RPEDSFYJZNOZQO-UHFFFAOYSA-N 1 3 232.331 1.562 20 0 BDADHO CN1CC(CNc2cc3[nH]ccc3c[nH+]2)C1 ZINC001159216450 964019074 /nfs/dbraw/zinc/01/90/74/964019074.db2.gz XEIUEWFLPNVWDV-UHFFFAOYSA-N 1 3 216.288 1.536 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NC(C)(C)C[NH3+])C2 ZINC001168233028 964019326 /nfs/dbraw/zinc/01/93/26/964019326.db2.gz XKZYRFFYHDXJKB-LBPRGKRZSA-N 1 3 234.343 1.489 20 0 BDADHO C[C@H](Nc1cc2[nH]ccc2c[nH+]1)[C@@H]1CNCCO1 ZINC001159488284 964110492 /nfs/dbraw/zinc/11/04/92/964110492.db2.gz BONGVLZUEYKGPL-CABZTGNLSA-N 1 3 246.314 1.352 20 0 BDADHO C[C@@H](CC[NH2+]C1CCOCC1)N(C)C ZINC000697869449 964593730 /nfs/dbraw/zinc/59/37/30/964593730.db2.gz HGWNSBVCHQPZBT-JTQLQIEISA-N 1 3 200.326 1.095 20 0 BDADHO NCc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162405307 964964818 /nfs/dbraw/zinc/96/48/18/964964818.db2.gz UGFGZZGVDAJMAP-UWVGGRQHSA-N 1 3 220.320 1.222 20 0 BDADHO Cc1c2[nH]cnc2ccc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162920802 965208889 /nfs/dbraw/zinc/20/88/89/965208889.db2.gz DFFPRNIVWRGCPR-GZMMTYOYSA-N 1 3 232.287 1.009 20 0 BDADHO CC(C)(C)[C@H](O)CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000714960809 965569545 /nfs/dbraw/zinc/56/95/45/965569545.db2.gz JUZKDJJJDYCNEI-JHJVBQTASA-N 1 3 240.391 1.467 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2cccc3c2CCO3)CC1 ZINC001205117804 965870294 /nfs/dbraw/zinc/87/02/94/965870294.db2.gz VUCQUUWADRUHEP-ZDUSSCGKSA-N 1 3 246.354 1.935 20 0 BDADHO Nc1cccc(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205117740 965870511 /nfs/dbraw/zinc/87/05/11/965870511.db2.gz UDVMHCSXGWPXCV-LBPRGKRZSA-N 1 3 219.332 1.582 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000699500006 965921159 /nfs/dbraw/zinc/92/11/59/965921159.db2.gz ZOPDAKVBMZWGOL-RQJABVFESA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000699500006 965921170 /nfs/dbraw/zinc/92/11/70/965921170.db2.gz ZOPDAKVBMZWGOL-RQJABVFESA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000699538888 965953278 /nfs/dbraw/zinc/95/32/78/965953278.db2.gz DLMLZICSDNKKMO-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CC[C@@H]3[NH2+]CC[C@H]32)n1 ZINC001165299988 966038529 /nfs/dbraw/zinc/03/85/29/966038529.db2.gz VZKXJUUHWRPJJQ-WCQYABFASA-N 1 3 242.326 1.812 20 0 BDADHO C[C@H]1CN(Cc2cccc3c2CCO3)C[C@H]1C[NH3+] ZINC001205145752 966047154 /nfs/dbraw/zinc/04/71/54/966047154.db2.gz FLBWOQYXDAYXBZ-WCQYABFASA-N 1 3 246.354 1.648 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CCC[C@@H]3[NH2+]C[C@H]32)n1 ZINC001165390228 966084551 /nfs/dbraw/zinc/08/45/51/966084551.db2.gz DDZRSYLHYIGKGJ-WCQYABFASA-N 1 3 242.326 1.812 20 0 BDADHO C[C@H](N)C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001236097699 966267752 /nfs/dbraw/zinc/26/77/52/966267752.db2.gz MBXDUMHQLZFJMO-LBPRGKRZSA-N 1 3 233.359 1.683 20 0 BDADHO CC[C@@H](C(=O)NCCC[NH2+]CC(C)C)N(C)C ZINC001166852151 966430352 /nfs/dbraw/zinc/43/03/52/966430352.db2.gz MSIJPBCNOZGNGT-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO Cc1nc[nH]c1CN1CCC(C[NH+](C)C)CC1 ZINC001204589840 967080873 /nfs/dbraw/zinc/08/08/73/967080873.db2.gz ZUVFGUCKELCEJR-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO Cc1nc[nH]c1CN(C)CC1CC[NH+](C)CC1 ZINC001204589724 967082904 /nfs/dbraw/zinc/08/29/04/967082904.db2.gz WFOFTVLCIKXCCO-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO CSCCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693757329 967450004 /nfs/dbraw/zinc/45/00/04/967450004.db2.gz INKHWSRYDLFBIO-OUAUKWLOSA-N 1 3 228.405 1.716 20 0 BDADHO CSCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693757329 967450006 /nfs/dbraw/zinc/45/00/06/967450006.db2.gz INKHWSRYDLFBIO-OUAUKWLOSA-N 1 3 228.405 1.716 20 0 BDADHO C[NH+](C)CCCCNc1cccc(CN)n1 ZINC001161730462 967620277 /nfs/dbraw/zinc/62/02/77/967620277.db2.gz DQFNJDLKIWTXCF-UHFFFAOYSA-N 1 3 222.336 1.294 20 0 BDADHO CC/C=C\CCCN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946456 967891438 /nfs/dbraw/zinc/89/14/38/967891438.db2.gz MMYUIUBAFQEAGA-OPVGQWETSA-N 1 3 212.337 1.127 20 0 BDADHO C[C@@H]1CN(Cc2nccn2C)CCC[C@H]1C[NH3+] ZINC001205996735 967948726 /nfs/dbraw/zinc/94/87/26/967948726.db2.gz XZVSMFPHAPTWGE-NEPJUHHUSA-N 1 3 236.363 1.227 20 0 BDADHO Cc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)ccn1 ZINC001206164811 968101212 /nfs/dbraw/zinc/10/12/12/968101212.db2.gz LLJMZVQROSPNDD-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)ccn1 ZINC001206164811 968101220 /nfs/dbraw/zinc/10/12/20/968101220.db2.gz LLJMZVQROSPNDD-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO CN(CCCC[NH3+])Cc1cnc2ccccn12 ZINC001206397393 968277295 /nfs/dbraw/zinc/27/72/95/968277295.db2.gz VEFAZAJGVNMAPW-UHFFFAOYSA-N 1 3 232.331 1.505 20 0 BDADHO Cc1cc(C)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206475400 968329412 /nfs/dbraw/zinc/32/94/12/968329412.db2.gz ODTONBIMZQDGBI-LSDHHAIUSA-N 1 3 248.370 1.363 20 0 BDADHO CCN1CCN(CC(C)(C)C[NH+](C)C)C[C@H]1C ZINC001207283621 968715578 /nfs/dbraw/zinc/71/55/78/968715578.db2.gz BEDNJQPOMMXHRI-CYBMUJFWSA-N 1 3 241.423 1.600 20 0 BDADHO c1cc2n(c1)CCN(CC1CC[NH2+]CC1)C2 ZINC001207437152 968770348 /nfs/dbraw/zinc/77/03/48/968770348.db2.gz AXQHXUOAHVDBCA-UHFFFAOYSA-N 1 3 219.332 1.303 20 0 BDADHO C[NH+]1CCC(CCN2CC[C@](F)(CO)C2)CC1 ZINC001207480007 968799579 /nfs/dbraw/zinc/79/95/79/968799579.db2.gz SORNXGWAHDRRAD-CYBMUJFWSA-N 1 3 244.354 1.125 20 0 BDADHO Nc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154973852 968825441 /nfs/dbraw/zinc/82/54/41/968825441.db2.gz AJXWXNJMEAISBR-IUCAKERBSA-N 1 3 206.293 1.346 20 0 BDADHO C[NH+]1CCC(C)(CN2CCOC(C)(C)C2)CC1 ZINC001208102999 968999662 /nfs/dbraw/zinc/99/96/62/968999662.db2.gz JJKWXZXFQZGLPA-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1CN(CC2(C)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001208105753 969001549 /nfs/dbraw/zinc/00/15/49/969001549.db2.gz ZZVCWVXVBWVLRD-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CC[NH+]1CCC(CN2C[C@@H](F)C[C@H]2CO)CC1 ZINC001208593222 969148237 /nfs/dbraw/zinc/14/82/37/969148237.db2.gz QMRUSVGLXQFQLV-STQMWFEESA-N 1 3 244.354 1.123 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001253384498 969148397 /nfs/dbraw/zinc/14/83/97/969148397.db2.gz VVRPSOSFZWHNSV-NSHDSACASA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1CCC1 ZINC001253384498 969148399 /nfs/dbraw/zinc/14/83/99/969148399.db2.gz VVRPSOSFZWHNSV-NSHDSACASA-N 1 3 214.353 1.125 20 0 BDADHO CCN1CCC(C[N@@H+]2CCC[C@H]2C(C)=O)CC1 ZINC001208604727 969154695 /nfs/dbraw/zinc/15/46/95/969154695.db2.gz RYCUITJNZUMERX-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO CCN1CCC(C[N@H+]2CCC[C@H]2C(C)=O)CC1 ZINC001208604727 969154700 /nfs/dbraw/zinc/15/47/00/969154700.db2.gz RYCUITJNZUMERX-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)C(C)(C)C ZINC001253403236 969156247 /nfs/dbraw/zinc/15/62/47/969156247.db2.gz AFVXKKNUJALZKF-QWRGUYRKSA-N 1 3 230.396 1.760 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2C[C@H]1CCC[N@H+](C)C1 ZINC001208612828 969169606 /nfs/dbraw/zinc/16/96/06/969169606.db2.gz DRRYXOXTOQFDMG-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2C[C@H]1CCC[N@@H+](C)C1 ZINC001208612828 969169608 /nfs/dbraw/zinc/16/96/08/969169608.db2.gz DRRYXOXTOQFDMG-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@]3(CCO3)C2)C1 ZINC001208613438 969171336 /nfs/dbraw/zinc/17/13/36/969171336.db2.gz UENYJDBIZUMZBF-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2CCC[C@]3(CCO3)C2)C1 ZINC001208613438 969171340 /nfs/dbraw/zinc/17/13/40/969171340.db2.gz UENYJDBIZUMZBF-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO CC[C@H]1C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000723472271 969319724 /nfs/dbraw/zinc/31/97/24/969319724.db2.gz YHDAQAKEAQWODJ-NOOOWODRSA-N 1 3 212.337 1.223 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCn1ccnc1)C2 ZINC001169078799 969399685 /nfs/dbraw/zinc/39/96/85/969399685.db2.gz HAKWILLOFULUIX-CLLJXQQHSA-N 1 3 234.347 1.098 20 0 BDADHO CCCC[N@H+](C)CCCNC[C@@H](O)C(C)C ZINC001253778458 969399737 /nfs/dbraw/zinc/39/97/37/969399737.db2.gz PMDQTKBBWQOPLP-CYBMUJFWSA-N 1 3 230.396 1.715 20 0 BDADHO CCCC[N@@H+](C)CCCNC[C@@H](O)C(C)C ZINC001253778458 969399741 /nfs/dbraw/zinc/39/97/41/969399741.db2.gz PMDQTKBBWQOPLP-CYBMUJFWSA-N 1 3 230.396 1.715 20 0 BDADHO CCCCN(C)CCC[NH2+]C[C@@H](O)C(C)C ZINC001253778458 969399745 /nfs/dbraw/zinc/39/97/45/969399745.db2.gz PMDQTKBBWQOPLP-CYBMUJFWSA-N 1 3 230.396 1.715 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1CN)C2 ZINC001169081358 969405298 /nfs/dbraw/zinc/40/52/98/969405298.db2.gz RYMCKEMYSJNURW-JGPRNRPPSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cncc1CN)C2 ZINC001169081358 969405304 /nfs/dbraw/zinc/40/53/04/969405304.db2.gz RYMCKEMYSJNURW-JGPRNRPPSA-N 1 3 220.320 1.140 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080979 969405480 /nfs/dbraw/zinc/40/54/80/969405480.db2.gz OJPDRTFSYHQQKT-XYYAHUGASA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080979 969405483 /nfs/dbraw/zinc/40/54/83/969405483.db2.gz OJPDRTFSYHQQKT-XYYAHUGASA-N 1 3 226.364 1.626 20 0 BDADHO CC[N@H+]1C[C@H]2CN(CCCCOC)C[C@H]2C1 ZINC001209219696 969408122 /nfs/dbraw/zinc/40/81/22/969408122.db2.gz LYYINKXPVFSPNK-BETUJISGSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@@H+]1C[C@H]2CN(CCCCOC)C[C@H]2C1 ZINC001209219696 969408126 /nfs/dbraw/zinc/40/81/26/969408126.db2.gz LYYINKXPVFSPNK-BETUJISGSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@@H]1COCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124202 969421178 /nfs/dbraw/zinc/42/11/78/969421178.db2.gz ASGGRXGJFFICMH-FQUUOJAGSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@@H]1COCCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124202 969421183 /nfs/dbraw/zinc/42/11/83/969421183.db2.gz ASGGRXGJFFICMH-FQUUOJAGSA-N 1 3 238.375 1.580 20 0 BDADHO CC[N@H+](C1CN(C)C1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154233 969470500 /nfs/dbraw/zinc/47/05/00/969470500.db2.gz OSWICGZUPMESJX-ITGUQSILSA-N 1 3 237.391 1.248 20 0 BDADHO CC[N@@H+](C1CN(C)C1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154233 969470507 /nfs/dbraw/zinc/47/05/07/969470507.db2.gz OSWICGZUPMESJX-ITGUQSILSA-N 1 3 237.391 1.248 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3CC[C@@H]3C1)C2 ZINC001169161975 969477484 /nfs/dbraw/zinc/47/74/84/969477484.db2.gz QZNBGRHYBZGGGW-RQJABVFESA-N 1 3 235.375 1.002 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCN3CC[C@@H]3C1)C2 ZINC001169161975 969477489 /nfs/dbraw/zinc/47/74/89/969477489.db2.gz QZNBGRHYBZGGGW-RQJABVFESA-N 1 3 235.375 1.002 20 0 BDADHO CN([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160890 969479704 /nfs/dbraw/zinc/47/97/04/969479704.db2.gz MGHIVTCZMGFTMD-XJFOESAGSA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160890 969479714 /nfs/dbraw/zinc/47/97/14/969479714.db2.gz MGHIVTCZMGFTMD-XJFOESAGSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]([NH3+])c1ccn(-c2c[nH]cc3ccnc2-3)n1 ZINC001169233234 969516426 /nfs/dbraw/zinc/51/64/26/969516426.db2.gz PDDNYXLBNKFOEB-MRVPVSSYSA-N 1 3 227.271 1.768 20 0 BDADHO C[C@@H]([NH3+])c1ccn(-c2cncc3cc[nH]c32)n1 ZINC001169233234 969516431 /nfs/dbraw/zinc/51/64/31/969516431.db2.gz PDDNYXLBNKFOEB-MRVPVSSYSA-N 1 3 227.271 1.768 20 0 BDADHO CN(CCC[NH+]1CCCCC1)CC1COC1 ZINC001209451393 969516783 /nfs/dbraw/zinc/51/67/83/969516783.db2.gz XLFBBELSBJQDIX-UHFFFAOYSA-N 1 3 226.364 1.441 20 0 BDADHO CC[NH+]1CCC(N2CCC(O)(CC)CC2)CC1 ZINC001169265691 969523155 /nfs/dbraw/zinc/52/31/55/969523155.db2.gz PJJYDFHJAUFOLW-UHFFFAOYSA-N 1 3 240.391 1.708 20 0 BDADHO CCO[C@H]1CCCN(C2CC[NH+](CC)CC2)C1 ZINC001169258778 969545615 /nfs/dbraw/zinc/54/56/15/969545615.db2.gz RQUZQWKACUBXOT-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO Cc1ccc(-n2nncc2CN)c(C[NH+](C)C)c1 ZINC001169311110 969584602 /nfs/dbraw/zinc/58/46/02/969584602.db2.gz BQNCPCOMCXQQNH-UHFFFAOYSA-N 1 3 245.330 1.096 20 0 BDADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCCOC3)C[C@H]2C1 ZINC001254388752 969606665 /nfs/dbraw/zinc/60/66/65/969606665.db2.gz HWXINKHEZNNVSV-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]([NH2+]C[C@H](O)c2ccco2)CC1 ZINC001254497841 969663272 /nfs/dbraw/zinc/66/32/72/969663272.db2.gz OGZWIIFXONFDIS-NEPJUHHUSA-N 1 3 238.331 1.387 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1[C@H]1CCCN(C)CC1 ZINC001254520572 969698828 /nfs/dbraw/zinc/69/88/28/969698828.db2.gz OGUCMWVPOMKTOC-MJBXVCDLSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1[C@H]1CCCN(C)CC1 ZINC001254520572 969698830 /nfs/dbraw/zinc/69/88/30/969698830.db2.gz OGUCMWVPOMKTOC-MJBXVCDLSA-N 1 3 239.407 1.495 20 0 BDADHO CN(C)C1(C)CN([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254861440 969811211 /nfs/dbraw/zinc/81/12/11/969811211.db2.gz SSHRRYWESLGFQO-CYBMUJFWSA-N 1 3 237.391 1.107 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254916499 969819546 /nfs/dbraw/zinc/81/95/46/969819546.db2.gz ZNZJKGBEMFYDMU-OBPIAQAESA-N 1 3 236.359 1.604 20 0 BDADHO CCOC(=O)[C@H]1CCC[C@@H](NC(C)(C)C[NH3+])C1 ZINC001255337113 970119302 /nfs/dbraw/zinc/11/93/02/970119302.db2.gz AEWPWFUJNRHGOT-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO C[NH2+]Cc1ccc(Nc2nccn2C)cc1 ZINC001211127649 970155601 /nfs/dbraw/zinc/15/56/01/970155601.db2.gz RRFCRHIGDZICOU-UHFFFAOYSA-N 1 3 216.288 1.883 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956009 970592614 /nfs/dbraw/zinc/59/26/14/970592614.db2.gz FOZBWKRBFPCVJB-RDBSUJKOSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956009 970592626 /nfs/dbraw/zinc/59/26/26/970592626.db2.gz FOZBWKRBFPCVJB-RDBSUJKOSA-N 1 3 242.407 1.952 20 0 BDADHO Cc1cc(CN)nn1C1CC[NH+](C2CC2)CC1 ZINC001256067391 970630224 /nfs/dbraw/zinc/63/02/24/970630224.db2.gz NKTRBJOOBXJNRX-UHFFFAOYSA-N 1 3 234.347 1.450 20 0 BDADHO NCc1ccn(C2CC[NH+](C3CC3)CC2)n1 ZINC001256067120 970630618 /nfs/dbraw/zinc/63/06/18/970630618.db2.gz JAJXGDRKSNKYTJ-UHFFFAOYSA-N 1 3 220.320 1.141 20 0 BDADHO CN(C)CC[N@H+](C)C1CCN(C2CC2)CC1 ZINC001256073299 970640121 /nfs/dbraw/zinc/64/01/21/970640121.db2.gz QGHSMBXGEUEDMP-UHFFFAOYSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)CC[N@@H+](C)C1CCN(C2CC2)CC1 ZINC001256073299 970640135 /nfs/dbraw/zinc/64/01/35/970640135.db2.gz QGHSMBXGEUEDMP-UHFFFAOYSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CC(CNc2cccc3c2CC[C@@H]3[NH3+])C1 ZINC001170256428 970640233 /nfs/dbraw/zinc/64/02/33/970640233.db2.gz LPLNWSGESKWFOR-ZDUSSCGKSA-N 1 3 231.343 1.606 20 0 BDADHO CC(C)CN1CC[C@H]([NH2+]C2CCN(C)CC2)C1 ZINC001256198201 970692580 /nfs/dbraw/zinc/69/25/80/970692580.db2.gz DESMQQBRPCCARN-AWEZNQCLSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H](Cc1ccccn1)N1CCC[C@H]([NH3+])CC1 ZINC001246540341 972559369 /nfs/dbraw/zinc/55/93/69/972559369.db2.gz GITUMLLBQLFWBR-STQMWFEESA-N 1 3 233.359 1.826 20 0 BDADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246547441 972670275 /nfs/dbraw/zinc/67/02/75/972670275.db2.gz PQABBCIVICXZBW-RYUDHWBXSA-N 1 3 226.364 1.757 20 0 BDADHO CC1(C)C[C@@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246547441 972670283 /nfs/dbraw/zinc/67/02/83/972670283.db2.gz PQABBCIVICXZBW-RYUDHWBXSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CCN1 ZINC001246552782 972740250 /nfs/dbraw/zinc/74/02/50/972740250.db2.gz VEVBGGIMLQNCJZ-MQYQWHSLSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)CCN1 ZINC001246552782 972740263 /nfs/dbraw/zinc/74/02/63/972740263.db2.gz VEVBGGIMLQNCJZ-MQYQWHSLSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CCN1 ZINC001246566044 972805237 /nfs/dbraw/zinc/80/52/37/972805237.db2.gz RJPDQIQJFHSFCG-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CCN1 ZINC001246566044 972805242 /nfs/dbraw/zinc/80/52/42/972805242.db2.gz RJPDQIQJFHSFCG-NDBYEHHHSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806239 973107482 /nfs/dbraw/zinc/10/74/82/973107482.db2.gz HDVMBYIRCBFAOE-VWYCJHECSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)CCN1 ZINC001246806239 973107493 /nfs/dbraw/zinc/10/74/93/973107493.db2.gz HDVMBYIRCBFAOE-VWYCJHECSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC3(F)F)C2)CCN1 ZINC001246806239 973107504 /nfs/dbraw/zinc/10/75/04/973107504.db2.gz HDVMBYIRCBFAOE-VWYCJHECSA-N 1 3 230.302 1.858 20 0 BDADHO CC[C@@H]1C[C@@H](N2C[C@@H](N)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246821613 973119846 /nfs/dbraw/zinc/11/98/46/973119846.db2.gz SYSWMJVBUCOKQH-FPYNETTCSA-N 1 3 243.370 1.277 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CC[C@]3(N)C1)C2 ZINC001246856306 973168869 /nfs/dbraw/zinc/16/88/69/973168869.db2.gz WTQBASGZKWHPEG-MRLBHPIUSA-N 1 3 249.402 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CC[C@]3(N)C1)C2 ZINC001246856306 973168883 /nfs/dbraw/zinc/16/88/83/973168883.db2.gz WTQBASGZKWHPEG-MRLBHPIUSA-N 1 3 249.402 1.425 20 0 BDADHO Cc1nc2c(n1[C@H]1CC[C@H](C)[NH2+]C1)CNCC2 ZINC001246859567 973173002 /nfs/dbraw/zinc/17/30/02/973173002.db2.gz GABYITICOHNROF-ONGXEEELSA-N 1 3 234.347 1.150 20 0 BDADHO CN1C(C)(C)CC([NH2+]CC(C)(C)O)CC1(C)C ZINC001171613448 974114652 /nfs/dbraw/zinc/11/46/52/974114652.db2.gz JYUHBSOLLHKKRU-UHFFFAOYSA-N 1 3 242.407 1.998 20 0 BDADHO C[NH+]1C(C)(C)CC(NCC(C)(C)O)CC1(C)C ZINC001171613448 974114657 /nfs/dbraw/zinc/11/46/57/974114657.db2.gz JYUHBSOLLHKKRU-UHFFFAOYSA-N 1 3 242.407 1.998 20 0 BDADHO Cc1ccc(CC[C@@H](C)NC[C@H](O)C[NH3+])cc1 ZINC001171654973 974118690 /nfs/dbraw/zinc/11/86/90/974118690.db2.gz DBEQXIIUIUVXKH-TZMCWYRMSA-N 1 3 236.359 1.225 20 0 BDADHO C[C@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121030 974391924 /nfs/dbraw/zinc/39/19/24/974391924.db2.gz ODSDQOGAHLNEAA-IGQOVBAYSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121030 974391937 /nfs/dbraw/zinc/39/19/37/974391937.db2.gz ODSDQOGAHLNEAA-IGQOVBAYSA-N 1 3 238.375 1.722 20 0 BDADHO N[C@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163527 974488926 /nfs/dbraw/zinc/48/89/26/974488926.db2.gz DEMOOEZOKVEPQP-STQMWFEESA-N 1 3 238.306 1.653 20 0 BDADHO N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163527 974488930 /nfs/dbraw/zinc/48/89/30/974488930.db2.gz DEMOOEZOKVEPQP-STQMWFEESA-N 1 3 238.306 1.653 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC001172412587 974677743 /nfs/dbraw/zinc/67/77/43/974677743.db2.gz ZFOOMLLWZJTGNO-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC001172412587 974677748 /nfs/dbraw/zinc/67/77/48/974677748.db2.gz ZFOOMLLWZJTGNO-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CC(C)OCC[C@H](C)[NH2+]C[C@H](C)CN ZINC001172439523 974794979 /nfs/dbraw/zinc/79/49/79/974794979.db2.gz FEYGSTPYWSIBRY-MNOVXSKESA-N 1 3 202.342 1.374 20 0 BDADHO C[N@@H+]1CC[C@@H](NCCc2cnccn2)CC1(C)C ZINC001331693703 974794119 /nfs/dbraw/zinc/79/41/19/974794119.db2.gz VTJHELXKYWEBLK-GFCCVEGCSA-N 1 3 248.374 1.482 20 0 BDADHO C[N@H+]1CC[C@@H](NCCc2cnccn2)CC1(C)C ZINC001331693703 974794122 /nfs/dbraw/zinc/79/41/22/974794122.db2.gz VTJHELXKYWEBLK-GFCCVEGCSA-N 1 3 248.374 1.482 20 0 BDADHO CCC1([NH3+])CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC001332062280 974939564 /nfs/dbraw/zinc/93/95/64/974939564.db2.gz ZKDRBRLGXVTAJF-NSHDSACASA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H](C[NH3+])CN(C)[C@H]1CCc2ncsc2C1 ZINC001173131945 975043237 /nfs/dbraw/zinc/04/32/37/975043237.db2.gz NRUATEIRGRDQBF-UWVGGRQHSA-N 1 3 239.388 1.527 20 0 BDADHO CC[N@@H+]1CC[C@H](Nc2ccc(CN)nc2)C1 ZINC001173356920 975316111 /nfs/dbraw/zinc/31/61/11/975316111.db2.gz HJTXREHQFZARIX-LBPRGKRZSA-N 1 3 220.320 1.046 20 0 BDADHO CC[N@H+]1CC[C@H](Nc2ccc(CN)nc2)C1 ZINC001173356920 975316118 /nfs/dbraw/zinc/31/61/18/975316118.db2.gz HJTXREHQFZARIX-LBPRGKRZSA-N 1 3 220.320 1.046 20 0 BDADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CCN(C2)[C@H]3C)C1 ZINC001173359351 975324342 /nfs/dbraw/zinc/32/43/42/975324342.db2.gz MJOVNGLHIGFPHQ-CRWXNKLISA-N 1 3 237.391 1.153 20 0 BDADHO C1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C12CCC2 ZINC000721224075 975360450 /nfs/dbraw/zinc/36/04/50/975360450.db2.gz LTVXEEAYXMQNCT-MBYGNEARSA-N 1 3 206.333 1.802 20 0 BDADHO CC(C)(C[NH3+])NC1Cc2cc(F)c(F)cc2C1 ZINC001173474734 975380090 /nfs/dbraw/zinc/38/00/90/975380090.db2.gz HDXHEFHKLFJIAB-UHFFFAOYSA-N 1 3 240.297 1.759 20 0 BDADHO CC(C)OCC[C@@H](O)CNCC[C@H](C)[NH+](C)C ZINC001335381656 977018338 /nfs/dbraw/zinc/01/83/38/977018338.db2.gz OTTFVHJMTQBSFT-QWHCGFSZSA-N 1 3 246.395 1.092 20 0 BDADHO CC[N@@H+]1CC[C@H](Oc2ccc3[nH]c(N)nc3c2)C1 ZINC001230506835 977225722 /nfs/dbraw/zinc/22/57/22/977225722.db2.gz HSVGXGNFBMMIBH-JTQLQIEISA-N 1 3 246.314 1.618 20 0 BDADHO CC[N@H+]1CC[C@H](Oc2ccc3[nH]c(N)nc3c2)C1 ZINC001230506835 977225735 /nfs/dbraw/zinc/22/57/35/977225735.db2.gz HSVGXGNFBMMIBH-JTQLQIEISA-N 1 3 246.314 1.618 20 0 BDADHO CC[N@@H+]1CC[C@@H](Oc2ccc3[nH]c(N)nc3c2)C1 ZINC001230506836 977227035 /nfs/dbraw/zinc/22/70/35/977227035.db2.gz HSVGXGNFBMMIBH-SNVBAGLBSA-N 1 3 246.314 1.618 20 0 BDADHO CC[N@H+]1CC[C@@H](Oc2ccc3[nH]c(N)nc3c2)C1 ZINC001230506836 977227043 /nfs/dbraw/zinc/22/70/43/977227043.db2.gz HSVGXGNFBMMIBH-SNVBAGLBSA-N 1 3 246.314 1.618 20 0 BDADHO CN(Cc1cncc(O)c1)CC1CC[NH+](C)CC1 ZINC001232042813 977870716 /nfs/dbraw/zinc/87/07/16/977870716.db2.gz KFAXLZZJOKYRRW-UHFFFAOYSA-N 1 3 249.358 1.561 20 0 BDADHO CCO[C@@H](CNCC1(OC)CCC1)C[NH+](C)C ZINC001336854978 977991839 /nfs/dbraw/zinc/99/18/39/977991839.db2.gz SSEYGBARVNWYJJ-LBPRGKRZSA-N 1 3 244.379 1.112 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccc(N)nc1)CC2 ZINC001232370062 978047053 /nfs/dbraw/zinc/04/70/53/978047053.db2.gz VHKOMENQXXMXDP-UHFFFAOYSA-N 1 3 246.358 1.191 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1ccc(N)nc1)CC2 ZINC001232370062 978047067 /nfs/dbraw/zinc/04/70/67/978047067.db2.gz VHKOMENQXXMXDP-UHFFFAOYSA-N 1 3 246.358 1.191 20 0 BDADHO O[C@H]1CCC[C@H]1N1CCN(c2cc[nH+]cc2)CC1 ZINC001339450807 978854253 /nfs/dbraw/zinc/85/42/53/978854253.db2.gz LSLKVFAQAQPQFK-KGLIPLIRSA-N 1 3 247.342 1.117 20 0 BDADHO CCC(CC)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053823 978965883 /nfs/dbraw/zinc/96/58/83/978965883.db2.gz KVKGXKGEXIMERC-ZDUSSCGKSA-N 1 3 225.380 1.060 20 0 BDADHO C[C@H](N)C(=O)NCCCCCC1CC[NH2+]CC1 ZINC001340947489 979171881 /nfs/dbraw/zinc/17/18/81/979171881.db2.gz XAQCRYOXIUFCJB-NSHDSACASA-N 1 3 241.379 1.010 20 0 BDADHO c1ccc([C@@H]2CN(C[C@@H]3CCC[NH2+]3)CCN2)cc1 ZINC001235858989 979174788 /nfs/dbraw/zinc/17/47/88/979174788.db2.gz KSMKFWWWOFINAG-GJZGRUSLSA-N 1 3 245.370 1.385 20 0 BDADHO [NH3+][C@]12CC[C@@H]1CN(CCC1CCCC1)C2 ZINC001235980938 979241223 /nfs/dbraw/zinc/24/12/23/979241223.db2.gz SKCRGWXIKKIMHC-OLZOCXBDSA-N 1 3 208.349 1.990 20 0 BDADHO CC(C)CC[C@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001341572024 979472900 /nfs/dbraw/zinc/47/29/00/979472900.db2.gz ZACAZBDVDZWDSC-LBPRGKRZSA-N 1 3 249.358 1.847 20 0 BDADHO Cc1coc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236321708 979534465 /nfs/dbraw/zinc/53/44/65/979534465.db2.gz WEEULIGUIXHHSW-TXEJJXNPSA-N 1 3 235.331 1.414 20 0 BDADHO CC[C@H](N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001342299842 979762602 /nfs/dbraw/zinc/76/26/02/979762602.db2.gz IWRRQTPOJBJRPF-PWSUYJOCSA-N 1 3 247.342 1.203 20 0 BDADHO CO[C@@H]1CN(C[C@H]2CCC(C)=C[C@H]2C)C[C@@H]1[NH3+] ZINC001237101493 979813782 /nfs/dbraw/zinc/81/37/82/979813782.db2.gz GDUVAGMUBSMJMU-YIYPIFLZSA-N 1 3 238.375 1.637 20 0 BDADHO Cc1ncncc1CN(C)CC1CC[NH+](C)CC1 ZINC001238167968 980201615 /nfs/dbraw/zinc/20/16/15/980201615.db2.gz FMCRJDUWQRYFPN-UHFFFAOYSA-N 1 3 248.374 1.559 20 0 BDADHO NCc1cc(C2=CCC[NH2+]CC2)ccn1 ZINC001238944364 980380678 /nfs/dbraw/zinc/38/06/78/980380678.db2.gz HFPWFQKQSGSMCU-UHFFFAOYSA-N 1 3 203.289 1.307 20 0 BDADHO C[C@H]1CCN(Cc2nccn2C)CC[C@H]1C[NH3+] ZINC001205600441 981155483 /nfs/dbraw/zinc/15/54/83/981155483.db2.gz BSOWVDRUGCBFMA-RYUDHWBXSA-N 1 3 236.363 1.227 20 0 BDADHO O[C@@]1(CN[C@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880738 981682997 /nfs/dbraw/zinc/68/29/97/981682997.db2.gz XDTGQRKXWSHPDS-AAEUAGOBSA-N 1 3 224.348 1.023 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457358 983717937 /nfs/dbraw/zinc/71/79/37/983717937.db2.gz IBBOCEZJWVVHBS-WDEREUQCSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H](C(=O)Nc1cccc2c1CNC2)[C@H](C)[NH3+] ZINC001358059677 983821523 /nfs/dbraw/zinc/82/15/23/983821523.db2.gz MQNQSMBBZKNSEI-BDAKNGLRSA-N 1 3 233.315 1.212 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001358059678 983822392 /nfs/dbraw/zinc/82/23/92/983822392.db2.gz MQNQSMBBZKNSEI-DTWKUNHWSA-N 1 3 233.315 1.212 20 0 BDADHO C[C@]1(CN[C@@H]2C[C@H]3CC[C@@H]2O3)CCC[NH2+]C1 ZINC001576526103 984173146 /nfs/dbraw/zinc/17/31/46/984173146.db2.gz NIHCOBIVIHUMCL-NDBYEHHHSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H]1CN(Cc2cc[nH]n2)CCC[C@@H]1C[NH3+] ZINC001205981838 984187306 /nfs/dbraw/zinc/18/73/06/984187306.db2.gz HSENSZPMEIQUOW-WDEREUQCSA-N 1 3 222.336 1.217 20 0 BDADHO CCCN(CCC1C[NH2+]C1)[C@@H](C)C(=O)OCC ZINC001577519245 984199360 /nfs/dbraw/zinc/19/93/60/984199360.db2.gz IVWBWCWUTCXDLD-NSHDSACASA-N 1 3 242.363 1.260 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2(C[NH3+])CC2)[C@@H]1SC ZINC001578159154 984206641 /nfs/dbraw/zinc/20/66/41/984206641.db2.gz VGERLYZVRCRHKH-MXWKQRLJSA-N 1 3 244.404 1.224 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H](C)C[C@H]2CCC[NH2+]2)C1 ZINC001578160953 984207456 /nfs/dbraw/zinc/20/74/56/984207456.db2.gz FUDWLTYATCNLPZ-RNJOBUHISA-N 1 3 226.364 1.674 20 0 BDADHO COCC[C@@H]([NH3+])CNCCCc1ccco1 ZINC001579003657 984252253 /nfs/dbraw/zinc/25/22/53/984252253.db2.gz KQIXAXQGBRZJPA-LLVKDONJSA-N 1 3 226.320 1.166 20 0 BDADHO C[NH2+]Cc1cccc(-c2ccnc(CN)c2)c1 ZINC001242996355 984363207 /nfs/dbraw/zinc/36/32/07/984363207.db2.gz XFTIWDNRAYVWCM-UHFFFAOYSA-N 1 3 227.311 1.927 20 0 BDADHO CCOC(=O)C1=CC[C@@H]([NH2+]CC(C)(C)CN)C1 ZINC001577932364 984821990 /nfs/dbraw/zinc/82/19/90/984821990.db2.gz OKDGUDXUNOQIFN-LLVKDONJSA-N 1 3 240.347 1.213 20 0 BDADHO CCOC(=O)C1=CC[C@@H](NCC(C)(C)C[NH3+])C1 ZINC001577932364 984821996 /nfs/dbraw/zinc/82/19/96/984821996.db2.gz OKDGUDXUNOQIFN-LLVKDONJSA-N 1 3 240.347 1.213 20 0 BDADHO CCOC(=O)C1(C)CC(N[C@@H](C)CC[NH3+])C1 ZINC001577925205 984822331 /nfs/dbraw/zinc/82/23/31/984822331.db2.gz FYULVGCANHSVMG-BMQDGWLCSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC(=O)C[C@@](C)(NC[C@@H](C)[NH3+])C(C)C ZINC001577939319 984822745 /nfs/dbraw/zinc/82/27/45/984822745.db2.gz CVMOUDUGIYRXSP-ZYHUDNBSSA-N 1 3 230.352 1.291 20 0 BDADHO CCO[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](N)C2)C1 ZINC001578097681 984848125 /nfs/dbraw/zinc/84/81/25/984848125.db2.gz HHISLBIBJALRRL-KKOKHZNYSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1NC[C@@H]([NH3+])CCOC ZINC001578149120 984858411 /nfs/dbraw/zinc/85/84/11/984858411.db2.gz VONPDFDENFAKBO-YNEHKIRRSA-N 1 3 244.379 1.288 20 0 BDADHO CN1CCC[C@@H]1C[NH2+]C[C@H](N)CCC(C)(C)C ZINC001578530211 985155255 /nfs/dbraw/zinc/15/52/55/985155255.db2.gz BYYRSXQVFYJPDR-CHWSQXEVSA-N 1 3 241.423 1.824 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@]2(C)CCCCO2)C1 ZINC001578657300 985269433 /nfs/dbraw/zinc/26/94/33/985269433.db2.gz UVANSRMGNNFYOJ-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000687214323 985271894 /nfs/dbraw/zinc/27/18/94/985271894.db2.gz IXAJRMMHBFTJBG-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[NH2+]CC[C@H]1CCCCN1C[C@H](O)CSC ZINC001578677183 985291211 /nfs/dbraw/zinc/29/12/11/985291211.db2.gz YNGPPRDAFJNLIQ-NEPJUHHUSA-N 1 3 246.420 1.174 20 0 BDADHO COC(=O)CN(CC(C)C)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578812318 985383562 /nfs/dbraw/zinc/38/35/62/985383562.db2.gz PBUAIWHHSAKPBN-NWDGAFQWSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCNCC2)C1 ZINC001578816186 985390404 /nfs/dbraw/zinc/39/04/04/985390404.db2.gz VDNAPXJKMMSOMK-PWSUYJOCSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H]1COC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000687974821 985433367 /nfs/dbraw/zinc/43/33/67/985433367.db2.gz RVJIPPXUJMUGNU-GHMZBOCLSA-N 1 3 214.353 1.199 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC001578897772 985435116 /nfs/dbraw/zinc/43/51/16/985435116.db2.gz YQZHIAXYGKNBSX-JLIMGVALSA-N 1 3 200.326 1.125 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001578897772 985435126 /nfs/dbraw/zinc/43/51/26/985435126.db2.gz YQZHIAXYGKNBSX-JLIMGVALSA-N 1 3 200.326 1.125 20 0 BDADHO CO[C@@](C)(CN(C)C1CC([NH3+])C1)C1CC1 ZINC001578898345 985480118 /nfs/dbraw/zinc/48/01/18/985480118.db2.gz XIKDPIFDMSRKFJ-MCIGGMRASA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1COC[C@@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000688026153 985499412 /nfs/dbraw/zinc/49/94/12/985499412.db2.gz UHCYQBWLRGKUTH-YPMHNXCESA-N 1 3 240.391 1.874 20 0 BDADHO COC1(C[NH2+]CC2(N)CCCC2)CCC1 ZINC001578930896 985536821 /nfs/dbraw/zinc/53/68/21/985536821.db2.gz ZZBNOXLMBSBKQX-UHFFFAOYSA-N 1 3 212.337 1.417 20 0 BDADHO COC1(CNCC2([NH3+])CCCC2)CCC1 ZINC001578930896 985536832 /nfs/dbraw/zinc/53/68/32/985536832.db2.gz ZZBNOXLMBSBKQX-UHFFFAOYSA-N 1 3 212.337 1.417 20 0 BDADHO CO[C@H](CN[C@H](C[NH3+])C1CC1)CC(C)C ZINC001578913077 985519077 /nfs/dbraw/zinc/51/90/77/985519077.db2.gz RAOKRSLZZGLNER-NWDGAFQWSA-N 1 3 214.353 1.374 20 0 BDADHO COC1(CNCC2([NH3+])CC2)CCCCC1 ZINC001578930539 985534007 /nfs/dbraw/zinc/53/40/07/985534007.db2.gz UWXMZGUVGTXRFB-UHFFFAOYSA-N 1 3 212.337 1.417 20 0 BDADHO COC1(CN[C@H]2C[C@H]([NH3+])C2)CCCCCC1 ZINC001578929864 985537616 /nfs/dbraw/zinc/53/76/16/985537616.db2.gz LMQAHMKUFQSVFV-HAQNSBGRSA-N 1 3 226.364 1.805 20 0 BDADHO COC1(CN[C@@H]2CCCC[C@H]2[NH3+])CCC1 ZINC001578930551 985539368 /nfs/dbraw/zinc/53/93/68/985539368.db2.gz UEUMADCPXXDNPM-GHMZBOCLSA-N 1 3 212.337 1.415 20 0 BDADHO CO[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935836 985540884 /nfs/dbraw/zinc/54/08/84/985540884.db2.gz LHACVNJMVCAWTD-DBIOUOCHSA-N 1 3 210.321 1.023 20 0 BDADHO CO[C@@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935838 985543653 /nfs/dbraw/zinc/54/36/53/985543653.db2.gz LHACVNJMVCAWTD-LMLFDSFASA-N 1 3 210.321 1.023 20 0 BDADHO COC[C@H](C[NH2+]C[C@H](N)CCC(C)(C)C)OC ZINC001578961311 985586217 /nfs/dbraw/zinc/58/62/17/985586217.db2.gz HHSHXVFBAUPLTA-NEPJUHHUSA-N 1 3 246.395 1.391 20 0 BDADHO COC[C@@H](NC[C@@H]([NH3+])CC(F)F)C(C)C ZINC001578970600 985607788 /nfs/dbraw/zinc/60/77/88/985607788.db2.gz YFVYFJXVSFYIJV-DTWKUNHWSA-N 1 3 224.295 1.230 20 0 BDADHO COCC[C@H](C)C[NH2+]CC1(CN)CCC1 ZINC001578994301 985624076 /nfs/dbraw/zinc/62/40/76/985624076.db2.gz FCKFWJLWBLTVQJ-NSHDSACASA-N 1 3 214.353 1.378 20 0 BDADHO COCC[C@@H]([NH3+])CN[C@H](COC)CC(C)(C)C ZINC001579000672 985649414 /nfs/dbraw/zinc/64/94/14/985649414.db2.gz AOAIFUQTBFXVSO-NEPJUHHUSA-N 1 3 246.395 1.391 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)CCC(=O)OC ZINC001258344747 985818426 /nfs/dbraw/zinc/81/84/26/985818426.db2.gz BOVSIGJDVBIDNI-GFCCVEGCSA-N 1 3 244.379 1.650 20 0 BDADHO CCOC(=O)CCN1CCCC[C@@H](C[NH3+])C1 ZINC001206606368 985899438 /nfs/dbraw/zinc/89/94/38/985899438.db2.gz MATZPDFJDWHZKJ-NSHDSACASA-N 1 3 228.336 1.000 20 0 BDADHO NCc1ccc(-c2cccc(OCC[NH3+])c2)cn1 ZINC001244325263 985950792 /nfs/dbraw/zinc/95/07/92/985950792.db2.gz RGNNOYIXZZPNED-UHFFFAOYSA-N 1 3 243.310 1.545 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CCCC[C@@H]1O ZINC001579454711 985951731 /nfs/dbraw/zinc/95/17/31/985951731.db2.gz XMGIJTUYPUXTQP-MQYQWHSLSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001579467704 985967801 /nfs/dbraw/zinc/96/78/01/985967801.db2.gz VOVQZJUZGUGJTJ-KSSYENDESA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001579476830 985989310 /nfs/dbraw/zinc/98/93/10/985989310.db2.gz IVUGQOMSDVSMCM-OUAUKWLOSA-N 1 3 228.380 1.905 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001461829121 986199368 /nfs/dbraw/zinc/19/93/68/986199368.db2.gz KTWUGHDCQMHURJ-JHJVBQTASA-N 1 3 240.391 1.589 20 0 BDADHO Cc1ccncc1CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001579814845 986234451 /nfs/dbraw/zinc/23/44/51/986234451.db2.gz PYHWQJPEYDJDRL-QWHCGFSZSA-N 1 3 233.359 1.648 20 0 BDADHO OCCCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000710016904 986358962 /nfs/dbraw/zinc/35/89/62/986358962.db2.gz RYXPOKAHJMEMNM-ZDUSSCGKSA-N 1 3 226.364 1.225 20 0 BDADHO Cn1nccc1C[C@@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC001580013060 986412801 /nfs/dbraw/zinc/41/28/01/986412801.db2.gz KLNPSUCCXZFVCZ-OCCSQVGLSA-N 1 3 248.374 1.037 20 0 BDADHO CSC1(C[NH2+]C[C@H]2CN3CCC2CC3)CC1 ZINC001462632712 986468080 /nfs/dbraw/zinc/46/80/80/986468080.db2.gz FEXWWOZSKDMLPK-LBPRGKRZSA-N 1 3 240.416 1.813 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001462662592 986489700 /nfs/dbraw/zinc/48/97/00/986489700.db2.gz CXPNCRDIXHMUSA-OBPIAQAESA-N 1 3 226.364 1.340 20 0 BDADHO [NH3+]C[C@@H](NC[C@@H](O)CCc1ccccc1)C1CC1 ZINC001580229913 986678205 /nfs/dbraw/zinc/67/82/05/986678205.db2.gz WQMORIMBQBEPCT-LSDHHAIUSA-N 1 3 248.370 1.307 20 0 BDADHO [NH3+]C[C@H](NCc1cc[nH]c(=O)c1)C1CCCC1 ZINC001580230071 986678418 /nfs/dbraw/zinc/67/84/18/986678418.db2.gz YOMTUXNTXUVKEB-LBPRGKRZSA-N 1 3 235.331 1.394 20 0 BDADHO NCC1(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)CCC1 ZINC001580244450 986693852 /nfs/dbraw/zinc/69/38/52/986693852.db2.gz XRKWUBBNIZUDCK-GXTWGEPZSA-N 1 3 238.375 1.210 20 0 BDADHO NCC1(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)CCC1 ZINC001580244450 986693865 /nfs/dbraw/zinc/69/38/65/986693865.db2.gz XRKWUBBNIZUDCK-GXTWGEPZSA-N 1 3 238.375 1.210 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CC1=CCCC1 ZINC001580253038 986705495 /nfs/dbraw/zinc/70/54/95/986705495.db2.gz GCPOKINQCHOFLV-QWHCGFSZSA-N 1 3 206.333 1.910 20 0 BDADHO [NH3+]C[C@@]12CN(Cc3cnc[nH]3)C[C@H]1CCCC2 ZINC001580256903 986710647 /nfs/dbraw/zinc/71/06/47/986710647.db2.gz ZOXQHRWNIHMLCE-YPMHNXCESA-N 1 3 234.347 1.361 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139467696 986754769 /nfs/dbraw/zinc/75/47/69/986754769.db2.gz MBSHMTHAMJKXAM-OLZOCXBDSA-N 1 3 247.342 1.171 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139467696 986754776 /nfs/dbraw/zinc/75/47/76/986754776.db2.gz MBSHMTHAMJKXAM-OLZOCXBDSA-N 1 3 247.342 1.171 20 0 BDADHO CCCC[N@H+](C)CCCN[C@H]1CCN(C)C1 ZINC001255412126 986935039 /nfs/dbraw/zinc/93/50/39/986935039.db2.gz PPDQJVFXKZLSDZ-ZDUSSCGKSA-N 1 3 227.396 1.402 20 0 BDADHO CCCC[N@@H+](C)CCCN[C@H]1CCN(C)C1 ZINC001255412126 986935047 /nfs/dbraw/zinc/93/50/47/986935047.db2.gz PPDQJVFXKZLSDZ-ZDUSSCGKSA-N 1 3 227.396 1.402 20 0 BDADHO C[C@@H](N)c1ccn(C2CC[NH+](C3CC3)CC2)n1 ZINC001256068712 987122426 /nfs/dbraw/zinc/12/24/26/987122426.db2.gz GEDXOSDVPYYNLY-SNVBAGLBSA-N 1 3 234.347 1.702 20 0 BDADHO CC(C)(C)[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245972974 987245640 /nfs/dbraw/zinc/24/56/40/987245640.db2.gz FZWZRTJLFYBHFP-SNVBAGLBSA-N 1 3 214.353 1.255 20 0 BDADHO CC(C)(C)[C@H](O)CNCC1([NH3+])CCCC1 ZINC001245972974 987245651 /nfs/dbraw/zinc/24/56/51/987245651.db2.gz FZWZRTJLFYBHFP-SNVBAGLBSA-N 1 3 214.353 1.255 20 0 BDADHO CCC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245974548 987250976 /nfs/dbraw/zinc/25/09/76/987250976.db2.gz LTYOGHWLTPKEJQ-SNVBAGLBSA-N 1 3 200.326 1.009 20 0 BDADHO CCC[C@@H](O)CNCC1([NH3+])CCCC1 ZINC001245974548 987250988 /nfs/dbraw/zinc/25/09/88/987250988.db2.gz LTYOGHWLTPKEJQ-SNVBAGLBSA-N 1 3 200.326 1.009 20 0 BDADHO C[C@](O)(CN1CCC[C@H]([NH3+])CC1)c1ccccc1 ZINC001246015837 987295433 /nfs/dbraw/zinc/29/54/33/987295433.db2.gz HQAVRWIYQPOWHL-GJZGRUSLSA-N 1 3 248.370 1.707 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001246026588 987324223 /nfs/dbraw/zinc/32/42/23/987324223.db2.gz UVDDUQDLAQIXBL-JSGCOSHPSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@]12CCCNC2 ZINC001246026588 987324233 /nfs/dbraw/zinc/32/42/33/987324233.db2.gz UVDDUQDLAQIXBL-JSGCOSHPSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@]12CCCNC2 ZINC001246026589 987327767 /nfs/dbraw/zinc/32/77/67/987327767.db2.gz UVDDUQDLAQIXBL-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@]12CCCNC2 ZINC001246026589 987327769 /nfs/dbraw/zinc/32/77/69/987327769.db2.gz UVDDUQDLAQIXBL-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1COCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697034797 987348378 /nfs/dbraw/zinc/34/83/78/987348378.db2.gz AHVASPRGOGAOJX-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000400770753 987368644 /nfs/dbraw/zinc/36/86/44/987368644.db2.gz CJSJUUCPSLOFAZ-NEPJUHHUSA-N 1 3 243.395 1.208 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246077013 987368781 /nfs/dbraw/zinc/36/87/81/987368781.db2.gz FYXFYXBPFWVOOR-AWEZNQCLSA-N 1 3 246.354 1.504 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NC1CC[NH2+]CC1)C2 ZINC001246077013 987368782 /nfs/dbraw/zinc/36/87/82/987368782.db2.gz FYXFYXBPFWVOOR-AWEZNQCLSA-N 1 3 246.354 1.504 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)NC1CC[NH2+]CC1 ZINC001246077170 987369085 /nfs/dbraw/zinc/36/90/85/987369085.db2.gz HOLVUCAIVZMSNX-NSHDSACASA-N 1 3 242.363 1.448 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C1CCNCC1 ZINC001246077170 987369093 /nfs/dbraw/zinc/36/90/93/987369093.db2.gz HOLVUCAIVZMSNX-NSHDSACASA-N 1 3 242.363 1.448 20 0 BDADHO C1OCC12CCC([NH2+]C1CCNCC1)CC2 ZINC001246082783 987376689 /nfs/dbraw/zinc/37/66/89/987376689.db2.gz XZSWCDMVEIESNS-UHFFFAOYSA-N 1 3 224.348 1.287 20 0 BDADHO CC1(C)[C@@H]2C[C@@H]([NH2+]C3CCNCC3)C[C@@H]21 ZINC001246082119 987377735 /nfs/dbraw/zinc/37/77/35/987377735.db2.gz WAJMFNWQTACQDU-CNDDSTCGSA-N 1 3 208.349 1.763 20 0 BDADHO CC1(C)C[C@H]([NH2+][C@H]2CCCCNC2)CO1 ZINC001246092048 987399390 /nfs/dbraw/zinc/39/93/90/987399390.db2.gz RTAGEONVPNBLBN-QWRGUYRKSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@]1(O)CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246093903 987401195 /nfs/dbraw/zinc/40/11/95/987401195.db2.gz XHKSINNFZNFSGJ-KLPPZKSPSA-N 1 3 212.337 1.022 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246093335 987401450 /nfs/dbraw/zinc/40/14/50/987401450.db2.gz UMFXWCDTTGFRFJ-CYDGBPFRSA-N 1 3 243.370 1.053 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)CCN1 ZINC001246101023 987424724 /nfs/dbraw/zinc/42/47/24/987424724.db2.gz YNGZDBQYGCWQOJ-WRWGMCAJSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)O3)[NH2+]C1 ZINC001246107000 987438343 /nfs/dbraw/zinc/43/83/43/987438343.db2.gz RUELDWNBNNBHKS-YJBUHQLJSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2CCCN(C)C2)[NH2+]C1 ZINC001246111284 987447296 /nfs/dbraw/zinc/44/72/96/987447296.db2.gz JATSZAKHKONSFN-AGIUHOORSA-N 1 3 225.380 1.058 20 0 BDADHO COC1CCC(NC[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246113318 987450780 /nfs/dbraw/zinc/45/07/80/987450780.db2.gz NRQAJKNHTAAMKO-RJZJGCCBSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC001246127669 987476037 /nfs/dbraw/zinc/47/60/37/987476037.db2.gz MDEAEKUMOUPLFY-SDDRHHMPSA-N 1 3 212.337 1.286 20 0 BDADHO CC1(C)CCC[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C1 ZINC001246133014 987488997 /nfs/dbraw/zinc/48/89/97/987488997.db2.gz HPLPEKMKFLPIJH-FDYHWXHSSA-N 1 3 238.375 1.532 20 0 BDADHO CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246150631 987507551 /nfs/dbraw/zinc/50/75/51/987507551.db2.gz ANBSPIWTOCEYRE-WHOHXGKFSA-N 1 3 214.353 1.124 20 0 BDADHO C1CC1(N[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC001246194458 987587567 /nfs/dbraw/zinc/58/75/67/987587567.db2.gz HRARTCGGFYCONK-GFCCVEGCSA-N 1 3 224.348 1.287 20 0 BDADHO C1CC1([NH2+]C1CCNCC1)C1CCOCC1 ZINC001246193998 987588261 /nfs/dbraw/zinc/58/82/61/987588261.db2.gz FAKKGMXIWPJQRF-UHFFFAOYSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2(C3CCOCC3)CC2)CCN1 ZINC001246195467 987588286 /nfs/dbraw/zinc/58/82/86/987588286.db2.gz OLYNWTARDKTRMI-YPMHNXCESA-N 1 3 238.375 1.676 20 0 BDADHO COC(=O)CCCCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246199840 987595264 /nfs/dbraw/zinc/59/52/64/987595264.db2.gz LKUOWBQVGLUPBA-RYUDHWBXSA-N 1 3 242.363 1.450 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001246206334 987602815 /nfs/dbraw/zinc/60/28/15/987602815.db2.gz ZNZJKGBEMFYDMU-NNYUYHANSA-N 1 3 236.359 1.604 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2(CO)CCCC2)CCN1 ZINC001246206094 987604063 /nfs/dbraw/zinc/60/40/63/987604063.db2.gz XKWPIUBTJABGPX-GHMZBOCLSA-N 1 3 212.337 1.022 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CCN1 ZINC001246218102 987616619 /nfs/dbraw/zinc/61/66/19/987616619.db2.gz LHVKJBGWSDHBDT-LPWJVIDDSA-N 1 3 226.364 1.268 20 0 BDADHO COc1cncc(CCN[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246251340 987648518 /nfs/dbraw/zinc/64/85/18/987648518.db2.gz YVKVXVLFUNZEME-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO COc1cncc(CC[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC001246251340 987648521 /nfs/dbraw/zinc/64/85/21/987648521.db2.gz YVKVXVLFUNZEME-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO OC12CCC(N[C@H]3CCC[NH2+]C3)(CC1)CC2 ZINC001246264989 987659950 /nfs/dbraw/zinc/65/99/50/987659950.db2.gz MLCBOANPKVIVTL-HIFPTAJRSA-N 1 3 224.348 1.166 20 0 BDADHO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C)NC2)C1 ZINC001246266806 987662093 /nfs/dbraw/zinc/66/20/93/987662093.db2.gz PUIBRWPEFSZZSE-KKOKHZNYSA-N 1 3 240.347 1.058 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H](NCC[C@H](C)[NH3+])C1 ZINC001246304904 987701379 /nfs/dbraw/zinc/70/13/79/987701379.db2.gz MSGQHABWXBBAKE-HBNTYKKESA-N 1 3 228.336 1.045 20 0 BDADHO C[C@H](Cc1ccncc1)NCC[C@H](C)[NH3+] ZINC001246306755 987704722 /nfs/dbraw/zinc/70/47/22/987704722.db2.gz SMJVXGUWTVPOOX-WDEREUQCSA-N 1 3 207.321 1.340 20 0 BDADHO CCCCOC(=O)CC[C@H](C)NCC[C@H](C)[NH3+] ZINC001246307596 987709735 /nfs/dbraw/zinc/70/97/35/987709735.db2.gz YQJPBZQQJPLDAS-RYUDHWBXSA-N 1 3 244.379 1.825 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246310887 987711759 /nfs/dbraw/zinc/71/17/59/987711759.db2.gz OKVQYXWYCJDLFY-KXNHARMFSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246310887 987711764 /nfs/dbraw/zinc/71/17/64/987711764.db2.gz OKVQYXWYCJDLFY-KXNHARMFSA-N 1 3 240.347 1.058 20 0 BDADHO CC(=O)NCCCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246337620 987744483 /nfs/dbraw/zinc/74/44/83/987744483.db2.gz WUSOIHVNMOCRND-DGCLKSJQSA-N 1 3 241.379 1.023 20 0 BDADHO CC(=O)NCCCCC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246335830 987745876 /nfs/dbraw/zinc/74/58/76/987745876.db2.gz MNDPDRYFLUHCCB-AAEUAGOBSA-N 1 3 241.379 1.023 20 0 BDADHO COC1CCC(CCN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246337484 987745941 /nfs/dbraw/zinc/74/59/41/987745941.db2.gz VKYVZPYKAGKTDL-ROKHWSDSSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H](COC)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246336262 987746350 /nfs/dbraw/zinc/74/63/50/987746350.db2.gz NYUMJTYXCPLBNK-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@@H](COC)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246336262 987746356 /nfs/dbraw/zinc/74/63/56/987746356.db2.gz NYUMJTYXCPLBNK-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO COC(=O)CCCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246357966 987769209 /nfs/dbraw/zinc/76/92/09/987769209.db2.gz WUEHGQVVAJSHJW-WDEREUQCSA-N 1 3 228.336 1.060 20 0 BDADHO CC1(C)CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246416780 987790171 /nfs/dbraw/zinc/79/01/71/987790171.db2.gz LUMUXKZVHYQRCY-QWRGUYRKSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@H]1C[C@@H](NC2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447725 987805519 /nfs/dbraw/zinc/80/55/19/987805519.db2.gz QVBFWWDGNCLBRL-JSGCOSHPSA-N 1 3 245.370 1.887 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CO)cc2)CCN1 ZINC001246446271 987806108 /nfs/dbraw/zinc/80/61/08/987806108.db2.gz LXQJHVBRDOUBEF-DOMZBBRYSA-N 1 3 248.370 1.452 20 0 BDADHO C[C@@]1(N[C@H]2CCC[NH2+]C2)CC[C@@H](O)CC1 ZINC001246460514 987820562 /nfs/dbraw/zinc/82/05/62/987820562.db2.gz JKWMHQTWJBKDPQ-SRVKXCTJSA-N 1 3 212.337 1.022 20 0 BDADHO CCSC[C@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246477673 987833914 /nfs/dbraw/zinc/83/39/14/987833914.db2.gz IWGSBXJXLDKBCF-AXFHLTTASA-N 1 3 216.394 1.988 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246480482 987837589 /nfs/dbraw/zinc/83/75/89/987837589.db2.gz ZGNAWLHCUQGNOJ-KXNHARMFSA-N 1 3 240.347 1.188 20 0 BDADHO CO[C@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246513113 987861966 /nfs/dbraw/zinc/86/19/66/987861966.db2.gz GHLXCWWKQWSZAE-WUHRBBMRSA-N 1 3 226.364 1.674 20 0 BDADHO CCCC[C@H](CCC)N1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246537869 987898881 /nfs/dbraw/zinc/89/88/81/987898881.db2.gz DRALCXUBEFUXIS-AGIUHOORSA-N 1 3 228.380 1.739 20 0 BDADHO CCOC(=O)CC[C@H](C)N1CCC[C@@H]([NH3+])CC1 ZINC001246539203 987904076 /nfs/dbraw/zinc/90/40/76/987904076.db2.gz CNRODPLDRFNTPW-NWDGAFQWSA-N 1 3 242.363 1.531 20 0 BDADHO CSCC[C@H](C)[N@@H+]1CCC[C@H](N)CC1 ZINC001246544883 987918919 /nfs/dbraw/zinc/91/89/19/987918919.db2.gz HUOAGUZGCKBSCZ-QWRGUYRKSA-N 1 3 216.394 1.941 20 0 BDADHO CSCC[C@H](C)[N@H+]1CCC[C@H](N)CC1 ZINC001246544883 987918924 /nfs/dbraw/zinc/91/89/24/987918924.db2.gz HUOAGUZGCKBSCZ-QWRGUYRKSA-N 1 3 216.394 1.941 20 0 BDADHO C[C@@H]1C[C@@H](N2CCOC[C@H](C)C2)CC[NH2+]1 ZINC001246551480 987941425 /nfs/dbraw/zinc/94/14/25/987941425.db2.gz MUZGLSWZSPBXGG-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246565709 988016881 /nfs/dbraw/zinc/01/68/81/988016881.db2.gz PQDKWVVXNXYRAG-AGIUHOORSA-N 1 3 228.380 1.859 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246565709 988016893 /nfs/dbraw/zinc/01/68/93/988016893.db2.gz PQDKWVVXNXYRAG-AGIUHOORSA-N 1 3 228.380 1.859 20 0 BDADHO CC[C@@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582500 988111846 /nfs/dbraw/zinc/11/18/46/988111846.db2.gz ZSZKXBDZDYLCPH-SDDRHHMPSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582500 988111863 /nfs/dbraw/zinc/11/18/63/988111863.db2.gz ZSZKXBDZDYLCPH-SDDRHHMPSA-N 1 3 214.353 1.063 20 0 BDADHO C[C@]1(CF)CC[N@@H+](C2CCNCC2)C1 ZINC001246581566 988114523 /nfs/dbraw/zinc/11/45/23/988114523.db2.gz YZADYIUBOUSEOD-LLVKDONJSA-N 1 3 200.301 1.420 20 0 BDADHO C[C@]1(CF)CC[N@H+](C2CCNCC2)C1 ZINC001246581566 988114545 /nfs/dbraw/zinc/11/45/45/988114545.db2.gz YZADYIUBOUSEOD-LLVKDONJSA-N 1 3 200.301 1.420 20 0 BDADHO C[C@]1(CF)CCN(C2CC[NH2+]CC2)C1 ZINC001246581566 988114568 /nfs/dbraw/zinc/11/45/68/988114568.db2.gz YZADYIUBOUSEOD-LLVKDONJSA-N 1 3 200.301 1.420 20 0 BDADHO CCCC[C@H](CCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583825 988123103 /nfs/dbraw/zinc/12/31/03/988123103.db2.gz KYJKZKLLFAPHQF-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583825 988123115 /nfs/dbraw/zinc/12/31/15/988123115.db2.gz KYJKZKLLFAPHQF-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CCCC[C@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584024 988129016 /nfs/dbraw/zinc/12/90/16/988129016.db2.gz KYJKZKLLFAPHQF-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584024 988129027 /nfs/dbraw/zinc/12/90/27/988129027.db2.gz KYJKZKLLFAPHQF-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]1(C)O ZINC001246587160 988145493 /nfs/dbraw/zinc/14/54/93/988145493.db2.gz FTPCOEUSFYODEE-SYCZCVCYSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606564 988221216 /nfs/dbraw/zinc/22/12/16/988221216.db2.gz NBLXUWXPZWFEPT-JHJVBQTASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCCO3)C2)CCN1 ZINC001246606564 988221240 /nfs/dbraw/zinc/22/12/40/988221240.db2.gz NBLXUWXPZWFEPT-JHJVBQTASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCCO3)C2)CCN1 ZINC001246606564 988221253 /nfs/dbraw/zinc/22/12/53/988221253.db2.gz NBLXUWXPZWFEPT-JHJVBQTASA-N 1 3 224.348 1.382 20 0 BDADHO C1CO[C@@]2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246608902 988231080 /nfs/dbraw/zinc/23/10/80/988231080.db2.gz VYUMGPHAEQFQQS-PIGZVRMJSA-N 1 3 236.359 1.524 20 0 BDADHO CO[C@@H]1CCC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641527 988349483 /nfs/dbraw/zinc/34/94/83/988349483.db2.gz JAMYRKQKNUTUBY-QNWHQSFQSA-N 1 3 224.348 1.380 20 0 BDADHO CCCCC[C@@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246640734 988350878 /nfs/dbraw/zinc/35/08/78/988350878.db2.gz GWNFNHWELXAZIY-ZIAGYGMSSA-N 1 3 239.407 1.593 20 0 BDADHO CCCCN1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246787477 988466733 /nfs/dbraw/zinc/46/67/33/988466733.db2.gz DSHVDRREUZQUDE-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO CC(C)(C)[C@@H]1C[C@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246819859 988504954 /nfs/dbraw/zinc/50/49/54/988504954.db2.gz KQFJLYIMQIDVML-KXNHARMFSA-N 1 3 243.370 1.134 20 0 BDADHO C[C@H]1C[C@@H](N2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847505 988562843 /nfs/dbraw/zinc/56/28/43/988562843.db2.gz SOLFSBKGYUZOPK-JSGCOSHPSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@H]1C[C@@H]([NH+]2CCC(n3ccnc3)CC2)CCN1 ZINC001246847505 988562856 /nfs/dbraw/zinc/56/28/56/988562856.db2.gz SOLFSBKGYUZOPK-JSGCOSHPSA-N 1 3 248.374 1.661 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859877 988591713 /nfs/dbraw/zinc/59/17/13/988591713.db2.gz KYMIUEYJZAAFIM-BXUZGUMPSA-N 1 3 235.375 1.036 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859877 988591719 /nfs/dbraw/zinc/59/17/19/988591719.db2.gz KYMIUEYJZAAFIM-BXUZGUMPSA-N 1 3 235.375 1.036 20 0 BDADHO N[C@@]12CC[C@H]1C[N@@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859880 988592547 /nfs/dbraw/zinc/59/25/47/988592547.db2.gz KYMIUEYJZAAFIM-SMDDNHRTSA-N 1 3 235.375 1.036 20 0 BDADHO N[C@@]12CC[C@H]1C[N@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859880 988592556 /nfs/dbraw/zinc/59/25/56/988592556.db2.gz KYMIUEYJZAAFIM-SMDDNHRTSA-N 1 3 235.375 1.036 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874891 988645519 /nfs/dbraw/zinc/64/55/19/988645519.db2.gz WNZARWZSHAGUDY-KZZRWZIVSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874891 988645525 /nfs/dbraw/zinc/64/55/25/988645525.db2.gz WNZARWZSHAGUDY-KZZRWZIVSA-N 1 3 212.312 1.274 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H]1CN)C2 ZINC001246907643 988686219 /nfs/dbraw/zinc/68/62/19/988686219.db2.gz GIVREJKUDPJGCR-XJFOESAGSA-N 1 3 237.391 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H]1CN)C2 ZINC001246907643 988686225 /nfs/dbraw/zinc/68/62/25/988686225.db2.gz GIVREJKUDPJGCR-XJFOESAGSA-N 1 3 237.391 1.425 20 0 BDADHO c1ccc(C[C@H]2C[C@@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246989735 988819498 /nfs/dbraw/zinc/81/94/98/988819498.db2.gz GXNBFIFRQPCZOY-GJZGRUSLSA-N 1 3 245.370 1.212 20 0 BDADHO CC(C)O[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246995216 988830162 /nfs/dbraw/zinc/83/01/62/988830162.db2.gz RXAVVATYAOYZHH-YNEHKIRRSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC001246995216 988830164 /nfs/dbraw/zinc/83/01/64/988830164.db2.gz RXAVVATYAOYZHH-YNEHKIRRSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC001246995216 988830166 /nfs/dbraw/zinc/83/01/66/988830166.db2.gz RXAVVATYAOYZHH-YNEHKIRRSA-N 1 3 226.364 1.626 20 0 BDADHO CCN1CCN([C@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997354 988831726 /nfs/dbraw/zinc/83/17/26/988831726.db2.gz UDPYIDZINOGPTG-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO CC[C@@H]1C[C@H](N2CCNC2)C[C@H](CC)[NH2+]1 ZINC001246997608 988832673 /nfs/dbraw/zinc/83/26/73/988832673.db2.gz WEXGDFCAPMHJIH-GDNZZTSVSA-N 1 3 211.353 1.158 20 0 BDADHO CC(C)(C)N1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC001119345408 988985383 /nfs/dbraw/zinc/98/53/83/988985383.db2.gz RCCVXLYHQAFOIH-RYUDHWBXSA-N 1 3 243.370 1.103 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)[C@@H](N)CC1CC1 ZINC001119358352 989003354 /nfs/dbraw/zinc/00/33/54/989003354.db2.gz SXXCBESOCDPWSQ-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO CCc1nn(C)c(Cl)c1CNCCCC[NH3+] ZINC001325320957 989156110 /nfs/dbraw/zinc/15/61/10/989156110.db2.gz RQJVYNIAPRJHPO-UHFFFAOYSA-N 1 3 244.770 1.464 20 0 BDADHO Cc1ncoc1CNCCC1CC[NH+](C)CC1 ZINC001119605207 989227838 /nfs/dbraw/zinc/22/78/38/989227838.db2.gz NOSOQGSYZBLXPR-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO C(CC1CCOCC1)[NH2+][C@H]1CCNC12CCC2 ZINC001119630156 989264045 /nfs/dbraw/zinc/26/40/45/989264045.db2.gz DAGXHXHGVRIGDJ-ZDUSSCGKSA-N 1 3 238.375 1.677 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)NCC[C@H](C)[NH2+]C ZINC001326036310 989338250 /nfs/dbraw/zinc/33/82/50/989338250.db2.gz PAJJKMRZHQVQBM-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO C[C@]1(CN2C[C@H]3CCC[C@@H](C2)C3O)CC[NH2+]C1 ZINC001326231869 989439361 /nfs/dbraw/zinc/43/93/61/989439361.db2.gz LKTXIZHUMORNRY-PIGZVRMJSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@H](CNc1ccncc1CO)C[NH+]1CCCC1 ZINC001120015065 989563681 /nfs/dbraw/zinc/56/36/81/989563681.db2.gz XEGSVQRTERSFAW-GFCCVEGCSA-N 1 3 249.358 1.140 20 0 BDADHO Cc1cc(N)nc(NCC2=CC[N@H+](C)CC2)n1 ZINC001120031246 989567837 /nfs/dbraw/zinc/56/78/37/989567837.db2.gz PHRDZOUKMAUKTO-UHFFFAOYSA-N 1 3 233.319 1.041 20 0 BDADHO Cc1cc(N)nc(NCC2=CC[N@@H+](C)CC2)n1 ZINC001120031246 989567847 /nfs/dbraw/zinc/56/78/47/989567847.db2.gz PHRDZOUKMAUKTO-UHFFFAOYSA-N 1 3 233.319 1.041 20 0 BDADHO C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)CCCCC[NH3+] ZINC001522823472 989879614 /nfs/dbraw/zinc/87/96/14/989879614.db2.gz BWJJQVPEHQKYKW-GRYCIOLGSA-N 1 3 241.379 1.103 20 0 BDADHO C[NH2+]CCN(C(=O)[C@H](N)CCC(C)C)C(C)C ZINC001122255850 990310034 /nfs/dbraw/zinc/31/00/34/990310034.db2.gz ZQDGPSWAKOXSGO-GFCCVEGCSA-N 1 3 243.395 1.206 20 0 BDADHO C[N@@H+]1CC[C@@H]2C[NH+](Cc3ncccc3[O-])C[C@@H]2C1 ZINC001138393056 990927270 /nfs/dbraw/zinc/92/72/70/990927270.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 1 3 247.342 1.171 20 0 BDADHO C[N@H+]1CC[C@@H]2C[NH+](Cc3ncccc3[O-])C[C@@H]2C1 ZINC001138393056 990927280 /nfs/dbraw/zinc/92/72/80/990927280.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 1 3 247.342 1.171 20 0 BDADHO C[NH+]1CC[C@@H]2C[N@H+](Cc3ncccc3[O-])C[C@@H]2C1 ZINC001138393056 990927290 /nfs/dbraw/zinc/92/72/90/990927290.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 1 3 247.342 1.171 20 0 BDADHO C[NH+]1CC[C@@H]2C[N@@H+](Cc3ncccc3[O-])C[C@@H]2C1 ZINC001138393056 990927298 /nfs/dbraw/zinc/92/72/98/990927298.db2.gz PDJOVLLNLXPLIM-NEPJUHHUSA-N 1 3 247.342 1.171 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@H+](C)C[C@H](C)CN ZINC001258113458 991021646 /nfs/dbraw/zinc/02/16/46/991021646.db2.gz WCUIQJNZOGPIHO-NEPJUHHUSA-N 1 3 244.379 1.635 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@@H+](C)C[C@H](C)CN ZINC001258113458 991021654 /nfs/dbraw/zinc/02/16/54/991021654.db2.gz WCUIQJNZOGPIHO-NEPJUHHUSA-N 1 3 244.379 1.635 20 0 BDADHO Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308555391 991034321 /nfs/dbraw/zinc/03/43/21/991034321.db2.gz VOMWUDIWFOBCSF-QLFBSQMISA-N 1 3 245.370 1.820 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]Cc1cnc2cnccn12 ZINC001560300947 991448024 /nfs/dbraw/zinc/44/80/24/991448024.db2.gz CAUGKWKCRWEROD-NSHDSACASA-N 1 3 247.346 1.159 20 0 BDADHO CCOC(=O)CC[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001258483441 991454449 /nfs/dbraw/zinc/45/44/49/991454449.db2.gz HUGDJRZSIQVFJH-WOPDTQHZSA-N 1 3 242.363 1.578 20 0 BDADHO CCC[NH2+][C@@H](C)CCNC(=O)[C@H](CC)N(C)C ZINC001317412651 991500986 /nfs/dbraw/zinc/50/09/86/991500986.db2.gz NUHAOZJOUKAQDD-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO CO[C@@H](C)CNCC[C@@H](C)[NH+]1CCCCC1 ZINC001560750957 991589312 /nfs/dbraw/zinc/58/93/12/991589312.db2.gz MJGXLYIAFAYWEZ-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CO[C@@H](C)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001560750957 991589321 /nfs/dbraw/zinc/58/93/21/991589321.db2.gz MJGXLYIAFAYWEZ-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCC[NH+]1CCC(n2nc(CN)cc2C)CC1 ZINC001258764905 991726740 /nfs/dbraw/zinc/72/67/40/991726740.db2.gz WFHRVONGAFIDJE-UHFFFAOYSA-N 1 3 236.363 1.697 20 0 BDADHO CCC[NH+]1CCC(n2ccnc2[C@H](C)N)CC1 ZINC001258767742 991729893 /nfs/dbraw/zinc/72/98/93/991729893.db2.gz KRWNXOAGOXEPBU-NSHDSACASA-N 1 3 236.363 1.950 20 0 BDADHO CC[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001567053630 991932558 /nfs/dbraw/zinc/93/25/58/991932558.db2.gz AJRLUOMMXHPWDG-NSHDSACASA-N 1 3 243.395 1.079 20 0 BDADHO CCCN(C)CC(=O)N(C)CCC[NH2+]C(C)C ZINC001569260168 992348946 /nfs/dbraw/zinc/34/89/46/992348946.db2.gz ZWBDMGJBBURFDX-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001262008498 992591178 /nfs/dbraw/zinc/59/11/78/992591178.db2.gz OOKAOYVHTSNLJH-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC001573640352 992663733 /nfs/dbraw/zinc/66/37/33/992663733.db2.gz HPWGUUNXUOPXPS-UKRRQHHQSA-N 1 3 247.386 1.588 20 0 BDADHO COCC1(CN[C@H]2CCC[NH2+]C2)CCCCC1 ZINC001573974157 992783099 /nfs/dbraw/zinc/78/30/99/992783099.db2.gz IEYOZLXSQRZKGQ-ZDUSSCGKSA-N 1 3 240.391 1.925 20 0 BDADHO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCN1 ZINC001574796586 992910182 /nfs/dbraw/zinc/91/01/82/992910182.db2.gz YHOXXUPXIDMDAK-VOAKCMCISA-N 1 3 236.359 1.286 20 0 BDADHO CC(C)(C)CC[C@@H](CO)[NH2+]CC(C)(C)CN ZINC001575130291 992995081 /nfs/dbraw/zinc/99/50/81/992995081.db2.gz IUTFPXHZGZSZHQ-NSHDSACASA-N 1 3 230.396 1.748 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC001575472977 993051280 /nfs/dbraw/zinc/05/12/80/993051280.db2.gz ROGJPFGAHPOYFH-XQQFMLRXSA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC001575472977 993051288 /nfs/dbraw/zinc/05/12/88/993051288.db2.gz ROGJPFGAHPOYFH-XQQFMLRXSA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC001575497665 993055435 /nfs/dbraw/zinc/05/54/35/993055435.db2.gz GCGPTAKFVQPYGX-KKOKHZNYSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)CC[C@H](CO)NC[C@@H]([NH3+])CC(F)F ZINC001575556650 993072837 /nfs/dbraw/zinc/07/28/37/993072837.db2.gz ZXXMWRRLKNVIRI-VHSXEESVSA-N 1 3 238.322 1.356 20 0 BDADHO CC(C)CC[C@@H](CO)NC[C@H]([NH3+])CC(F)F ZINC001575556651 993073944 /nfs/dbraw/zinc/07/39/44/993073944.db2.gz ZXXMWRRLKNVIRI-ZJUUUORDSA-N 1 3 238.322 1.356 20 0 BDADHO C[C@H](CC[NH3+])NCc1ccc2nonc2c1 ZINC001575961752 993140607 /nfs/dbraw/zinc/14/06/07/993140607.db2.gz HGSDNXVHVZFXFZ-MRVPVSSYSA-N 1 3 220.276 1.050 20 0 BDADHO C[C@@H](CCn1cccn1)[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 ZINC001575971472 993146159 /nfs/dbraw/zinc/14/61/59/993146159.db2.gz GAUDDOBPZOMGSY-RNJOBUHISA-N 1 3 234.347 1.144 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576104778 993184710 /nfs/dbraw/zinc/18/47/10/993184710.db2.gz IXBGVQBRPBYOOH-NKVNRFPTSA-N 1 3 242.363 1.432 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001576153512 993192711 /nfs/dbraw/zinc/19/27/11/993192711.db2.gz VAUQVUPBYPNJMQ-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]([NH2+][C@H]1CCN[C@@H]1C)C1CCOCC1 ZINC001576252797 993220715 /nfs/dbraw/zinc/22/07/15/993220715.db2.gz TXHMITURNDSSDU-UMNHJUIQSA-N 1 3 212.337 1.142 20 0 BDADHO CC1(C)C[C@H](O)CN(CC2(C[NH3+])CCC2)C1 ZINC001576395185 993295319 /nfs/dbraw/zinc/29/53/19/993295319.db2.gz YXBFPZKRAPZROB-NSHDSACASA-N 1 3 226.364 1.208 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CCO ZINC000380171895 993318756 /nfs/dbraw/zinc/31/87/56/993318756.db2.gz HWZKNEFAFSJTHI-NEPJUHHUSA-N 1 3 216.369 1.467 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC001576596852 993361095 /nfs/dbraw/zinc/36/10/95/993361095.db2.gz AVIRILROUCREFQ-FVCCEPFGSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC001576596852 993361099 /nfs/dbraw/zinc/36/10/99/993361099.db2.gz AVIRILROUCREFQ-FVCCEPFGSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC001576623387 993372641 /nfs/dbraw/zinc/37/26/41/993372641.db2.gz KQBDHXUECULBAZ-OSUNSFLBSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@H]1CC2(CC([NH2+][C@H]3C[C@@H](N)C3)C2)CO1 ZINC001576637875 993375678 /nfs/dbraw/zinc/37/56/78/993375678.db2.gz XCMSAZSOUPAIDV-VVZSVHDDSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1CC2(CC(N[C@H]3C[C@@H]([NH3+])C3)C2)CO1 ZINC001576637875 993375680 /nfs/dbraw/zinc/37/56/80/993375680.db2.gz XCMSAZSOUPAIDV-VVZSVHDDSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H]1CC[C@@H](CN2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648958 993384054 /nfs/dbraw/zinc/38/40/54/993384054.db2.gz CNTRSWCCAVRNNT-NDBYEHHHSA-N 1 3 224.348 1.095 20 0 BDADHO C[C@@H]1CCN(C[C@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729690 993409063 /nfs/dbraw/zinc/40/90/63/993409063.db2.gz WCTPPPJWXGEMAD-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CN(C[C@]2(C)CCCCO2)CC[C@@H]1[NH3+] ZINC001576801698 993428903 /nfs/dbraw/zinc/42/89/03/993428903.db2.gz UCVJAIKDISDKTQ-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](NCCC2CSC2)C1 ZINC001576850582 993434492 /nfs/dbraw/zinc/43/44/92/993434492.db2.gz UIUIURXMNSLLDP-ONGXEEELSA-N 1 3 214.378 1.327 20 0 BDADHO CC[C@](C)(CNC[C@@H]([NH3+])CC(F)(F)F)OC ZINC001576949798 993465981 /nfs/dbraw/zinc/46/59/81/993465981.db2.gz QPUMIRZCUKQKHB-DTWKUNHWSA-N 1 3 242.285 1.671 20 0 BDADHO CC[C@H](C)N(CC(=O)OC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996725 993482923 /nfs/dbraw/zinc/48/29/23/993482923.db2.gz WIYBPXFHELPBQC-SDDRHHMPSA-N 1 3 242.363 1.387 20 0 BDADHO CCC(CC)(CN)C[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC001577052440 993489518 /nfs/dbraw/zinc/48/95/18/993489518.db2.gz WIQSPNKRGBJVGZ-PHIMTYICSA-N 1 3 242.363 1.293 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@H]1C[C@@H](C(=O)OC)C1 ZINC001577052440 993489523 /nfs/dbraw/zinc/48/95/23/993489523.db2.gz WIQSPNKRGBJVGZ-PHIMTYICSA-N 1 3 242.363 1.293 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@@H](C)C[S@@](C)=O ZINC001577051832 993489635 /nfs/dbraw/zinc/48/96/35/993489635.db2.gz AKOQUVIUFYPHMV-ZUZCIYMTSA-N 1 3 234.409 1.108 20 0 BDADHO CC[C@@H](CSC)NC[C@@H]([NH3+])CCOC ZINC001577092846 993502346 /nfs/dbraw/zinc/50/23/46/993502346.db2.gz JIZYJLLLYCNXJV-UWVGGRQHSA-N 1 3 220.382 1.081 20 0 BDADHO CC[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001577182818 993538181 /nfs/dbraw/zinc/53/81/81/993538181.db2.gz SZDBUPONQGQPQA-AGIUHOORSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](O)C[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001577182818 993538191 /nfs/dbraw/zinc/53/81/91/993538191.db2.gz SZDBUPONQGQPQA-AGIUHOORSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H]1CN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC001577280109 993581209 /nfs/dbraw/zinc/58/12/09/993581209.db2.gz XOTCNUPECYKTET-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H](O)[C@H](C)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040229 995531277 /nfs/dbraw/zinc/53/12/77/995531277.db2.gz KLOLVBQWNACVRO-AGIUHOORSA-N 1 3 249.358 1.361 20 0 BDADHO CN[C@@H](C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000518794632 349487441 /nfs/dbraw/zinc/48/74/41/349487441.db2.gz KSNRZYKFMCNLPA-AAEUAGOBSA-N 1 3 249.358 1.191 20 0 BDADHO CC(C)N1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000649374120 398183192 /nfs/dbraw/zinc/18/31/92/398183192.db2.gz XCXKXFGGUAAKDP-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO COCC[C@](C)(O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422976800 398161225 /nfs/dbraw/zinc/16/12/25/398161225.db2.gz JBBXVBLYPUBIMM-AGIUHOORSA-N 1 3 244.379 1.024 20 0 BDADHO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000422976746 398161425 /nfs/dbraw/zinc/16/14/25/398161425.db2.gz IXLINWAGASNMSG-DDHJBXDOSA-N 1 3 246.420 1.219 20 0 BDADHO CCc1nnc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])[n-]1 ZINC000423021514 398161916 /nfs/dbraw/zinc/16/19/16/398161916.db2.gz FNDSFGJYUILOJZ-ZJUUUORDSA-N 1 3 239.367 1.535 20 0 BDADHO CCc1nnc([C@H](C)N[C@H](C)CCCC[NH3+])[nH]1 ZINC000423021514 398161917 /nfs/dbraw/zinc/16/19/17/398161917.db2.gz FNDSFGJYUILOJZ-ZJUUUORDSA-N 1 3 239.367 1.535 20 0 BDADHO COCC1(CC[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000576227804 365530125 /nfs/dbraw/zinc/53/01/25/365530125.db2.gz IZNDXUDENHYHTH-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](NC1CCC(CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386007371 398194569 /nfs/dbraw/zinc/19/45/69/398194569.db2.gz LXYUMJQNINQUKO-ABXWRUBCSA-N 1 3 240.391 1.658 20 0 BDADHO COC[C@H](C)CN[C@@H]1CCCC[NH2+]C1 ZINC000576250557 365538096 /nfs/dbraw/zinc/53/80/96/365538096.db2.gz ATCNTIJUZNNMDN-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CC(C)CN1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000162660758 538923902 /nfs/dbraw/zinc/92/39/02/538923902.db2.gz JDZKZGHUUBDPBS-ZIAGYGMSSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)CN1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000162660877 538924069 /nfs/dbraw/zinc/92/40/69/538924069.db2.gz JDZKZGHUUBDPBS-UONOGXRCSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000647803967 398214523 /nfs/dbraw/zinc/21/45/23/398214523.db2.gz GGOCRYXUECNZOK-AATLWQCWSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCS[C@H]1C ZINC000647803967 398214525 /nfs/dbraw/zinc/21/45/25/398214525.db2.gz GGOCRYXUECNZOK-AATLWQCWSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000381009220 398218337 /nfs/dbraw/zinc/21/83/37/398218337.db2.gz ROPPZXNOPPVMRA-PWSUYJOCSA-N 1 3 222.336 1.011 20 0 BDADHO CCC(CC)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336712879 168353468 /nfs/dbraw/zinc/35/34/68/168353468.db2.gz RAHMDCOBESIWKX-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092630160 398235823 /nfs/dbraw/zinc/23/58/23/398235823.db2.gz WIMMSFWAPMHUPL-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000092630160 398235825 /nfs/dbraw/zinc/23/58/25/398235825.db2.gz WIMMSFWAPMHUPL-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]1C[C@@H]([N@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539075 538939482 /nfs/dbraw/zinc/93/94/82/538939482.db2.gz KBXISIOZTSHBLY-AAEUAGOBSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539075 538939484 /nfs/dbraw/zinc/93/94/84/538939484.db2.gz KBXISIOZTSHBLY-AAEUAGOBSA-N 1 3 225.380 1.153 20 0 BDADHO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCNCC1 ZINC000252791091 136226974 /nfs/dbraw/zinc/22/69/74/136226974.db2.gz SYXQEORIHDDVFO-FRRDWIJNSA-N 1 3 226.364 1.269 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252791091 136226975 /nfs/dbraw/zinc/22/69/75/136226975.db2.gz SYXQEORIHDDVFO-FRRDWIJNSA-N 1 3 226.364 1.269 20 0 BDADHO CC[C@H](C)[C@@H](CNCCC[NH+](C)C)OC ZINC000381267027 398242111 /nfs/dbraw/zinc/24/21/11/398242111.db2.gz GNZJKDRBUSRXFK-NWDGAFQWSA-N 1 3 216.369 1.589 20 0 BDADHO CCC(CC)[N@H+](CCCN)CCOC ZINC000042614254 168372263 /nfs/dbraw/zinc/37/22/63/168372263.db2.gz PQGLISWUBIMHSQ-UHFFFAOYSA-N 1 3 202.342 1.472 20 0 BDADHO CCC(CC)[N@@H+](CCCN)CCOC ZINC000042614254 168372265 /nfs/dbraw/zinc/37/22/65/168372265.db2.gz PQGLISWUBIMHSQ-UHFFFAOYSA-N 1 3 202.342 1.472 20 0 BDADHO C[C@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCCN1 ZINC000400696194 398267264 /nfs/dbraw/zinc/26/72/64/398267264.db2.gz JCMPIHOPPVFZLQ-YWPUVAFDSA-N 1 3 226.364 1.268 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)c2c[nH]nc2C)C1 ZINC000180155354 538957398 /nfs/dbraw/zinc/95/73/98/538957398.db2.gz KWZYMDKSFGCKAN-CMPLNLGQSA-N 1 3 236.363 1.711 20 0 BDADHO COC[C@@H](C)CNCC[C@H]1CCC[NH2+]1 ZINC000580289580 346857285 /nfs/dbraw/zinc/85/72/85/346857285.db2.gz KZKOPZXZEJFRBG-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](C)OC)CC1 ZINC000167040676 361860334 /nfs/dbraw/zinc/86/03/34/361860334.db2.gz HCOYLQADBGGDFW-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO C[C@H](c1ccccn1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838148 398284101 /nfs/dbraw/zinc/28/41/01/398284101.db2.gz JOGYLPHSCQKIFH-IJLUTSLNSA-N 1 3 219.332 1.669 20 0 BDADHO Cc1cc(CCN[C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000581835024 342811314 /nfs/dbraw/zinc/81/13/14/342811314.db2.gz KCSRZMZPSISTMV-MNOVXSKESA-N 1 3 223.320 1.385 20 0 BDADHO C[C@H](NCc1cc[nH]n1)C1CC[NH+](C)CC1 ZINC000041014952 538974158 /nfs/dbraw/zinc/97/41/58/538974158.db2.gz OODFARVKYIBBPK-JTQLQIEISA-N 1 3 222.336 1.230 20 0 BDADHO Cc1cc(CN[C@H](C)C2CC[NH+](C)CC2)on1 ZINC000044986339 538991040 /nfs/dbraw/zinc/99/10/40/538991040.db2.gz IHUPTFHFGFQZGN-LLVKDONJSA-N 1 3 237.347 1.803 20 0 BDADHO C[NH+]1CCC(C)(CNCc2cn[nH]c2)CC1 ZINC000381454649 539001068 /nfs/dbraw/zinc/00/10/68/539001068.db2.gz IYTJXJOQADRCRN-UHFFFAOYSA-N 1 3 222.336 1.231 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCCO1)C2 ZINC000382493516 361950687 /nfs/dbraw/zinc/95/06/87/361950687.db2.gz OCNXGWYRISNXKY-MJBXVCDLSA-N 1 3 238.375 1.616 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCCO1)C2 ZINC000382493516 361950691 /nfs/dbraw/zinc/95/06/91/361950691.db2.gz OCNXGWYRISNXKY-MJBXVCDLSA-N 1 3 238.375 1.616 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000335646743 136243932 /nfs/dbraw/zinc/24/39/32/136243932.db2.gz MILUSJLVGCIJMV-UWVGGRQHSA-N 1 3 214.378 1.470 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300230572 259326912 /nfs/dbraw/zinc/32/69/12/259326912.db2.gz BIBQEOWUDDCYOX-TUAOUCFPSA-N 1 3 228.380 1.643 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)C1 ZINC000389206767 398306361 /nfs/dbraw/zinc/30/63/61/398306361.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000389206767 398306364 /nfs/dbraw/zinc/30/63/64/398306364.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000389206767 398306366 /nfs/dbraw/zinc/30/63/66/398306366.db2.gz ZWWHCZLTSGVBCP-YIYPIFLZSA-N 1 3 239.407 1.399 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1(C)C ZINC000300392914 259326989 /nfs/dbraw/zinc/32/69/89/259326989.db2.gz WCNAWOGZIQSAJG-FIQHERPVSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000300392914 259326990 /nfs/dbraw/zinc/32/69/90/259326990.db2.gz WCNAWOGZIQSAJG-FIQHERPVSA-N 1 3 226.364 1.659 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](CN[C@@H]2CCn3ccnc32)CC1 ZINC000333282998 398316889 /nfs/dbraw/zinc/31/68/89/398316889.db2.gz MUETTYKFQLZKIZ-JHJVBQTASA-N 1 3 248.374 1.683 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000392271922 398316922 /nfs/dbraw/zinc/31/69/22/398316922.db2.gz VDOMDHGBYBTKDO-JQWIXIFHSA-N 1 3 226.389 1.732 20 0 BDADHO C[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CCCCN1 ZINC000385985655 342893268 /nfs/dbraw/zinc/89/32/68/342893268.db2.gz IOLHJFCXIXLHPQ-NEPJUHHUSA-N 1 3 222.336 1.003 20 0 BDADHO CCC[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000036873142 342992615 /nfs/dbraw/zinc/99/26/15/342992615.db2.gz UEAMELYAYOWFFO-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CC[C@@H]1CCOC1 ZINC000235291366 259343297 /nfs/dbraw/zinc/34/32/97/259343297.db2.gz DLPNGUFMUNWONJ-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC[C@@H]1CCOC1 ZINC000235291366 259343298 /nfs/dbraw/zinc/34/32/98/259343298.db2.gz DLPNGUFMUNWONJ-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC[C@@H]1CCOC1 ZINC000235291366 259343299 /nfs/dbraw/zinc/34/32/99/259343299.db2.gz DLPNGUFMUNWONJ-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215384 343150945 /nfs/dbraw/zinc/15/09/45/343150945.db2.gz ZRWOGAVGFSURHG-OLZOCXBDSA-N 1 3 234.343 1.794 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(O)cc2)C1 ZINC000093215384 343150948 /nfs/dbraw/zinc/15/09/48/343150948.db2.gz ZRWOGAVGFSURHG-OLZOCXBDSA-N 1 3 234.343 1.794 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCc2ccc3c(c2)OCO3)C1 ZINC000093210135 343151057 /nfs/dbraw/zinc/15/10/57/343151057.db2.gz FHDAUBWPGKKCAA-RYUDHWBXSA-N 1 3 248.326 1.775 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@@H]1CCOC1 ZINC000158484155 343200774 /nfs/dbraw/zinc/20/07/74/343200774.db2.gz VEAWRATWVCGNFD-WHOHXGKFSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000348757895 136297401 /nfs/dbraw/zinc/29/74/01/136297401.db2.gz YZSWXPLHWHAWAU-CYBMUJFWSA-N 1 3 236.363 1.252 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC[C@](C)(CN)C1 ZINC000348757895 136297402 /nfs/dbraw/zinc/29/74/02/136297402.db2.gz YZSWXPLHWHAWAU-CYBMUJFWSA-N 1 3 236.363 1.252 20 0 BDADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)N)c1 ZINC000037042945 343331811 /nfs/dbraw/zinc/33/18/11/343331811.db2.gz RSIRJDGNSSQXEI-NSHDSACASA-N 1 3 249.358 1.814 20 0 BDADHO CC(C)N(CCOCC[NH3+])Cc1ccccn1 ZINC000310166908 343358170 /nfs/dbraw/zinc/35/81/70/343358170.db2.gz OCIJZNYTHIDWGO-UHFFFAOYSA-N 1 3 237.347 1.267 20 0 BDADHO c1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000335636019 136300565 /nfs/dbraw/zinc/30/05/65/136300565.db2.gz SYTYKEJGYILEHP-KGLIPLIRSA-N 1 3 245.370 1.903 20 0 BDADHO Cn1cncc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335637928 136302809 /nfs/dbraw/zinc/30/28/09/136302809.db2.gz YSSXQUBMHDQEQO-QWHCGFSZSA-N 1 3 248.374 1.242 20 0 BDADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)N ZINC000166370209 136352321 /nfs/dbraw/zinc/35/23/21/136352321.db2.gz MEUXJKOCCJVNPM-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)N ZINC000166370209 136352322 /nfs/dbraw/zinc/35/23/22/136352322.db2.gz MEUXJKOCCJVNPM-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO [NH3+]CC[C@H]1CCCN(CC2(F)CC2)C1 ZINC000308922966 346941698 /nfs/dbraw/zinc/94/16/98/346941698.db2.gz CNQJUFANCFXQMU-SNVBAGLBSA-N 1 3 200.301 1.549 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167126027 136368418 /nfs/dbraw/zinc/36/84/18/136368418.db2.gz SIUSUDKEISOSDJ-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167126027 136368419 /nfs/dbraw/zinc/36/84/19/136368419.db2.gz SIUSUDKEISOSDJ-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000044500610 343504298 /nfs/dbraw/zinc/50/42/98/343504298.db2.gz JGYSYZXSKHNGMC-GHMZBOCLSA-N 1 3 224.352 1.411 20 0 BDADHO CCN1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H](C)C1 ZINC000624257618 343620154 /nfs/dbraw/zinc/62/01/54/343620154.db2.gz KMIKIVDLTZEVCS-AAEUAGOBSA-N 1 3 249.358 1.607 20 0 BDADHO COCC[C@@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429538481 537805417 /nfs/dbraw/zinc/80/54/17/537805417.db2.gz SVVJTLMQVXFJPC-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429538481 537805426 /nfs/dbraw/zinc/80/54/26/537805426.db2.gz SVVJTLMQVXFJPC-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429538481 537805434 /nfs/dbraw/zinc/80/54/34/537805434.db2.gz SVVJTLMQVXFJPC-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO CC[N@H+](CC[C@@H]1CCCN1C)C[C@@H]1CCCO1 ZINC000179247722 346978231 /nfs/dbraw/zinc/97/82/31/346978231.db2.gz HTLFEPKSNCURGM-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@@H+](CC[C@@H]1CCCN1C)C[C@@H]1CCCO1 ZINC000179247722 346978234 /nfs/dbraw/zinc/97/82/34/346978234.db2.gz HTLFEPKSNCURGM-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](N)CC ZINC000129073335 343962011 /nfs/dbraw/zinc/96/20/11/343962011.db2.gz SXAGBGLHGJYPPC-LLVKDONJSA-N 1 3 235.331 1.472 20 0 BDADHO Cc1n[nH]cc1CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000093215729 344312462 /nfs/dbraw/zinc/31/24/62/344312462.db2.gz PMHQSYSVHCCGRZ-OLZOCXBDSA-N 1 3 236.363 1.510 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093214330 344312791 /nfs/dbraw/zinc/31/27/91/344312791.db2.gz QFJPMOUPCFTOPQ-HZSPNIEDSA-N 1 3 239.407 1.720 20 0 BDADHO COC(=O)CCCC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000600710534 344360907 /nfs/dbraw/zinc/36/09/07/344360907.db2.gz OKBXSMDQZAQZSK-AAEUAGOBSA-N 1 3 240.347 1.143 20 0 BDADHO COC(=O)CCCC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000600710534 344360909 /nfs/dbraw/zinc/36/09/09/344360909.db2.gz OKBXSMDQZAQZSK-AAEUAGOBSA-N 1 3 240.347 1.143 20 0 BDADHO COC(=O)CCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000600711823 344361832 /nfs/dbraw/zinc/36/18/32/344361832.db2.gz SQHRRBBENYDYAW-LBPRGKRZSA-N 1 3 228.336 1.000 20 0 BDADHO COC(=O)CCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000600711823 344361833 /nfs/dbraw/zinc/36/18/33/344361833.db2.gz SQHRRBBENYDYAW-LBPRGKRZSA-N 1 3 228.336 1.000 20 0 BDADHO COC(=O)CCCCN1CC[C@@](C)(C[NH3+])C1 ZINC000600711823 344361834 /nfs/dbraw/zinc/36/18/34/344361834.db2.gz SQHRRBBENYDYAW-LBPRGKRZSA-N 1 3 228.336 1.000 20 0 BDADHO C[C@@H](O)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045619728 344573266 /nfs/dbraw/zinc/57/32/66/344573266.db2.gz RVGMGHHPRCNSHL-LLVKDONJSA-N 1 3 214.353 1.173 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN1CC ZINC000037621324 344553289 /nfs/dbraw/zinc/55/32/89/344553289.db2.gz OJJHAFAFIFAIBO-AAEUAGOBSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000037621156 344553337 /nfs/dbraw/zinc/55/33/37/344553337.db2.gz PLYKVONIPKOUGF-ZDUSSCGKSA-N 1 3 243.395 1.208 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)CCOC ZINC000045017822 344554636 /nfs/dbraw/zinc/55/46/36/344554636.db2.gz HHEGTLFBCBFWBF-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO Cc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000037632025 344555696 /nfs/dbraw/zinc/55/56/96/344555696.db2.gz SOLOXYWSWPGIDM-UHFFFAOYSA-N 1 3 247.386 1.332 20 0 BDADHO COc1ccc(CN2CCC(C[NH3+])CC2)cn1 ZINC000158315788 344594084 /nfs/dbraw/zinc/59/40/84/344594084.db2.gz BNCUPVWQJGAENY-UHFFFAOYSA-N 1 3 235.331 1.261 20 0 BDADHO CN[C@@H](C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000574890255 344680198 /nfs/dbraw/zinc/68/01/98/344680198.db2.gz TXLYZBSJXACJSR-WDEREUQCSA-N 1 3 243.395 1.077 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)CCO1 ZINC000388726920 347067615 /nfs/dbraw/zinc/06/76/15/347067615.db2.gz OHTGEHGETCIJNB-MQYQWHSLSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]1C[C@H]1C[NH2+]CCCCN1CCN(C)CC1 ZINC000583357552 344763126 /nfs/dbraw/zinc/76/31/26/344763126.db2.gz YSJSPQNRRKPCJB-KBPBESRZSA-N 1 3 239.407 1.260 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000385480046 344832932 /nfs/dbraw/zinc/83/29/32/344832932.db2.gz NTTHZGKGGVQEEL-MGPQQGTHSA-N 1 3 240.391 1.467 20 0 BDADHO CN1CCC[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166317506 344854025 /nfs/dbraw/zinc/85/40/25/344854025.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166317506 344854030 /nfs/dbraw/zinc/85/40/30/344854030.db2.gz WMABSQNIQCQQLA-MCIONIFRSA-N 1 3 237.391 1.297 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000359594411 345090715 /nfs/dbraw/zinc/09/07/15/345090715.db2.gz UAIXQRHKPYCGPB-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156058905 345122762 /nfs/dbraw/zinc/12/27/62/345122762.db2.gz QNPCSHOMKHONFJ-MGPQQGTHSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156058905 345122764 /nfs/dbraw/zinc/12/27/64/345122764.db2.gz QNPCSHOMKHONFJ-MGPQQGTHSA-N 1 3 240.391 1.610 20 0 BDADHO CN(CCN1CCCCC1)CC12CC(C1)C[NH2+]2 ZINC000634996927 345186396 /nfs/dbraw/zinc/18/63/96/345186396.db2.gz YZEZJPAWFGTWJW-UHFFFAOYSA-N 1 3 237.391 1.156 20 0 BDADHO C[NH+](C)CC1CCC(NCc2ccon2)CC1 ZINC000634972724 345149888 /nfs/dbraw/zinc/14/98/88/345149888.db2.gz FQOBEKRJWUVHAB-UHFFFAOYSA-N 1 3 237.347 1.885 20 0 BDADHO COCC(C)(C)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999390 345199364 /nfs/dbraw/zinc/19/93/64/345199364.db2.gz UBAFIQWGPWAOTP-GHMZBOCLSA-N 1 3 214.353 1.186 20 0 BDADHO COCC(C)(C)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634999390 345199367 /nfs/dbraw/zinc/19/93/67/345199367.db2.gz UBAFIQWGPWAOTP-GHMZBOCLSA-N 1 3 214.353 1.186 20 0 BDADHO C[C@@H]1C[C@H](NC[C@]2(C)CC[NH2+]C2)[C@H](C)O1 ZINC000635001714 345201925 /nfs/dbraw/zinc/20/19/25/345201925.db2.gz ZBLWCPGKDKVUOH-NOOOWODRSA-N 1 3 212.337 1.142 20 0 BDADHO COC[C@@H](CCC[NH3+])NCC(C)(C)F ZINC000635003244 345205892 /nfs/dbraw/zinc/20/58/92/345205892.db2.gz HMDSCFCWWOKPCP-SECBINFHSA-N 1 3 206.305 1.078 20 0 BDADHO CC(C)(F)CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000635003801 345207040 /nfs/dbraw/zinc/20/70/40/345207040.db2.gz LTDHCCAOZIXOKF-NXEZZACHSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC(C)(C)F ZINC000635005570 345209814 /nfs/dbraw/zinc/20/98/14/345209814.db2.gz VDHXWKFOCROORL-LPEHRKFASA-N 1 3 218.316 1.076 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635010420 345212765 /nfs/dbraw/zinc/21/27/65/345212765.db2.gz ZXIGGBAUOITVPX-NWANDNLSSA-N 1 3 248.370 1.714 20 0 BDADHO C[C@@H]1OCC[C@H]1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635010420 345212769 /nfs/dbraw/zinc/21/27/69/345212769.db2.gz ZXIGGBAUOITVPX-NWANDNLSSA-N 1 3 248.370 1.714 20 0 BDADHO COc1ccccc1[C@@H]1CCN(CCC[NH3+])C1 ZINC000080581983 345311332 /nfs/dbraw/zinc/31/13/32/345311332.db2.gz WYVDWJWJSZZPOI-GFCCVEGCSA-N 1 3 234.343 1.833 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000158481517 345338650 /nfs/dbraw/zinc/33/86/50/345338650.db2.gz HEOIZCGOJGKGKD-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000158481517 345338651 /nfs/dbraw/zinc/33/86/51/345338651.db2.gz HEOIZCGOJGKGKD-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCOC1 ZINC000563135045 323094595 /nfs/dbraw/zinc/09/45/95/323094595.db2.gz DECLVUKOMZXHLD-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000144516067 345708607 /nfs/dbraw/zinc/70/86/07/345708607.db2.gz UUMLERGAZUBKSI-ZDUSSCGKSA-N 1 3 248.370 1.794 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000563153884 323096013 /nfs/dbraw/zinc/09/60/13/323096013.db2.gz GDFWRSRLPXMDLC-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CNCCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000563153884 323096014 /nfs/dbraw/zinc/09/60/14/323096014.db2.gz GDFWRSRLPXMDLC-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CSC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000307605386 345845489 /nfs/dbraw/zinc/84/54/89/345845489.db2.gz YIEHJLMKKVJUCJ-NXEZZACHSA-N 1 3 212.362 1.033 20 0 BDADHO Cc1cc(CNCCCC[N@@H+](C)C2CC2)on1 ZINC000631156209 346274115 /nfs/dbraw/zinc/27/41/15/346274115.db2.gz XJUVXYOSMANUEL-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO Cc1cc(CNCCCC[N@H+](C)C2CC2)on1 ZINC000631156209 346274118 /nfs/dbraw/zinc/27/41/18/346274118.db2.gz XJUVXYOSMANUEL-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO CC(C)[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251318049 535038446 /nfs/dbraw/zinc/03/84/46/535038446.db2.gz LRJTWZTUJXHHKO-AVGNSLFASA-N 1 3 226.364 1.220 20 0 BDADHO CC[C@H](CSC)NC[C@H](O)C[NH+]1CCCC1 ZINC000217329941 346299296 /nfs/dbraw/zinc/29/92/96/346299296.db2.gz AJFOZZQEOBQULH-NEPJUHHUSA-N 1 3 246.420 1.174 20 0 BDADHO CC[NH+](CC)CC[C@@H](CO)NCC1(C)CC1 ZINC000641771019 362708446 /nfs/dbraw/zinc/70/84/46/362708446.db2.gz BKLUKFZAZHXHFU-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CC[NH+](CC)CC[C@@H](CO)NCC1(C)CCC1 ZINC000641771441 362710551 /nfs/dbraw/zinc/71/05/51/362710551.db2.gz IMQZVSFMPKERFQ-ZDUSSCGKSA-N 1 3 242.407 1.859 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342716752 535044873 /nfs/dbraw/zinc/04/48/73/535044873.db2.gz DRGSKJLDWWIFMA-AAEUAGOBSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000300369673 346433625 /nfs/dbraw/zinc/43/36/25/346433625.db2.gz ZRUHHLMXGSBVML-WOPDTQHZSA-N 1 3 225.380 1.329 20 0 BDADHO Cc1noc(CCCN[C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800244 362749952 /nfs/dbraw/zinc/74/99/52/362749952.db2.gz AEUAEVUVXUXKEB-ZJUUUORDSA-N 1 3 238.335 1.026 20 0 BDADHO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000577094465 365813852 /nfs/dbraw/zinc/81/38/52/365813852.db2.gz GJXWKXCYCLXKDQ-RNJOBUHISA-N 1 3 228.380 1.514 20 0 BDADHO Cc1ccc(CCN[C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000580708735 346504681 /nfs/dbraw/zinc/50/46/81/346504681.db2.gz QGQGJEGRVHWKBG-ZJUUUORDSA-N 1 3 210.321 1.846 20 0 BDADHO Cc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])o1 ZINC000580708734 346504736 /nfs/dbraw/zinc/50/47/36/346504736.db2.gz QGQGJEGRVHWKBG-VHSXEESVSA-N 1 3 210.321 1.846 20 0 BDADHO Cn1cncc1CCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000641800707 362751954 /nfs/dbraw/zinc/75/19/54/362751954.db2.gz DFFBAXNFRPRBET-JSGCOSHPSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000641800707 362751958 /nfs/dbraw/zinc/75/19/58/362751958.db2.gz DFFBAXNFRPRBET-JSGCOSHPSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@H]2CNCC[C@@H]21 ZINC000641800707 362751964 /nfs/dbraw/zinc/75/19/64/362751964.db2.gz DFFBAXNFRPRBET-JSGCOSHPSA-N 1 3 248.374 1.037 20 0 BDADHO Cc1cc(C)n(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641800803 362753026 /nfs/dbraw/zinc/75/30/26/362753026.db2.gz GFPMJTOBFQAHOM-NWDGAFQWSA-N 1 3 236.363 1.215 20 0 BDADHO Cc1cc(C)n(CC[NH2+][C@@H]2C[C@H](N)C2(C)C)n1 ZINC000641800803 362753030 /nfs/dbraw/zinc/75/30/30/362753030.db2.gz GFPMJTOBFQAHOM-NWDGAFQWSA-N 1 3 236.363 1.215 20 0 BDADHO Cn1cncc1CCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000641800709 362753281 /nfs/dbraw/zinc/75/32/81/362753281.db2.gz DFFBAXNFRPRBET-TZMCWYRMSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000641800709 362753284 /nfs/dbraw/zinc/75/32/84/362753284.db2.gz DFFBAXNFRPRBET-TZMCWYRMSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000641800709 362753288 /nfs/dbraw/zinc/75/32/88/362753288.db2.gz DFFBAXNFRPRBET-TZMCWYRMSA-N 1 3 248.374 1.037 20 0 BDADHO CSC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000300856647 346519943 /nfs/dbraw/zinc/51/99/43/346519943.db2.gz ONZGQUIMGPBDLK-NSHDSACASA-N 1 3 228.405 1.813 20 0 BDADHO CSC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000300856647 346519947 /nfs/dbraw/zinc/51/99/47/346519947.db2.gz ONZGQUIMGPBDLK-NSHDSACASA-N 1 3 228.405 1.813 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300375570 346530883 /nfs/dbraw/zinc/53/08/83/346530883.db2.gz FYMGSDXKUSUHPS-FRRDWIJNSA-N 1 3 228.380 1.645 20 0 BDADHO Cn1cncc1CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000641818362 362769300 /nfs/dbraw/zinc/76/93/00/362769300.db2.gz CKOLEEWZCKDKSM-JSGCOSHPSA-N 1 3 248.374 1.023 20 0 BDADHO Cn1cncc1CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000641818362 362769305 /nfs/dbraw/zinc/76/93/05/362769305.db2.gz CKOLEEWZCKDKSM-JSGCOSHPSA-N 1 3 248.374 1.023 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000562979787 346668161 /nfs/dbraw/zinc/66/81/61/346668161.db2.gz PKHVRYQIGYWXHS-SECBINFHSA-N 1 3 233.315 1.084 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(CC[C@H]1CCOC1)C2 ZINC000622004326 370655715 /nfs/dbraw/zinc/65/57/15/370655715.db2.gz NKUHWALLMLFBER-AVGNSLFASA-N 1 3 224.348 1.226 20 0 BDADHO CN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250603037 537986794 /nfs/dbraw/zinc/98/67/94/537986794.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250603037 537986801 /nfs/dbraw/zinc/98/68/01/537986801.db2.gz KOMYMQCDAUTKKJ-IHRRRGAJSA-N 1 3 237.391 1.297 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000250353207 362801115 /nfs/dbraw/zinc/80/11/15/362801115.db2.gz RQPXJFHZZYVFAI-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000250389671 362802635 /nfs/dbraw/zinc/80/26/35/362802635.db2.gz XYMOCFXISOBEHS-IJLUTSLNSA-N 1 3 228.405 1.812 20 0 BDADHO CCN1CCC([NH2+]CCCN(C)C)CC1 ZINC000019958197 347381508 /nfs/dbraw/zinc/38/15/08/347381508.db2.gz YJUHHQUILMNPLV-UHFFFAOYSA-N 1 3 213.369 1.012 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@H]2CCCO2)CC1(C)C ZINC000251114439 362838351 /nfs/dbraw/zinc/83/83/51/362838351.db2.gz CWIZESWBRKHWBX-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@H]2CCCO2)CC1(C)C ZINC000251114439 362838352 /nfs/dbraw/zinc/83/83/52/362838352.db2.gz CWIZESWBRKHWBX-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000053196488 347438397 /nfs/dbraw/zinc/43/83/97/347438397.db2.gz DKVITQHNNNYLDK-NWDGAFQWSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000053196488 347438398 /nfs/dbraw/zinc/43/83/98/347438398.db2.gz DKVITQHNNNYLDK-NWDGAFQWSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000053196488 347438402 /nfs/dbraw/zinc/43/84/02/347438402.db2.gz DKVITQHNNNYLDK-NWDGAFQWSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1CC[C@H](CN(C)CC(C)(C)C[NH3+])O1 ZINC000149780591 347518168 /nfs/dbraw/zinc/51/81/68/347518168.db2.gz RDGPMMVRCIHPAD-GHMZBOCLSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)(O)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000360021989 187380019 /nfs/dbraw/zinc/38/00/19/187380019.db2.gz GVJNJERZOCLIMP-UHFFFAOYSA-N 1 3 242.407 2.000 20 0 BDADHO CC(C)(O)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000360021989 187380021 /nfs/dbraw/zinc/38/00/21/187380021.db2.gz GVJNJERZOCLIMP-UHFFFAOYSA-N 1 3 242.407 2.000 20 0 BDADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000235374107 179277041 /nfs/dbraw/zinc/27/70/41/179277041.db2.gz URKCBNFTZWTUJP-YPMHNXCESA-N 1 3 204.317 1.774 20 0 BDADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](N)C1 ZINC000235374107 179277043 /nfs/dbraw/zinc/27/70/43/179277043.db2.gz URKCBNFTZWTUJP-YPMHNXCESA-N 1 3 204.317 1.774 20 0 BDADHO CC(C)C[C@H](CO)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000360495656 187381049 /nfs/dbraw/zinc/38/10/49/187381049.db2.gz MMJRAWZSWRTWPV-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)C[C@H](CO)N(C)CC[C@H]1CCC[N@H+]1C ZINC000360495656 187381051 /nfs/dbraw/zinc/38/10/51/187381051.db2.gz MMJRAWZSWRTWPV-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CN(CCC(C)(C)O)C[C@@H]1CCC[N@H+](C)C1 ZINC000360436470 187381201 /nfs/dbraw/zinc/38/12/01/187381201.db2.gz IVXUEQNTFZSKPY-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CN(CCC(C)(C)O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000360436470 187381203 /nfs/dbraw/zinc/38/12/03/187381203.db2.gz IVXUEQNTFZSKPY-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000308540004 347822698 /nfs/dbraw/zinc/82/26/98/347822698.db2.gz IHYVBPSDJFAPAW-MXWKQRLJSA-N 1 3 200.326 1.271 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+]CC1(N)CCCC1 ZINC000594739262 348110651 /nfs/dbraw/zinc/11/06/51/348110651.db2.gz QYVDMNNEIHDIRN-UHFFFAOYSA-N 1 3 242.363 1.437 20 0 BDADHO CC1(C)C[N@H+](CCCN2CCCC2)CCCO1 ZINC000372375775 187386635 /nfs/dbraw/zinc/38/66/35/187386635.db2.gz LJPGAIHHIQYHTJ-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO CC1(C)C[N@@H+](CCCN2CCCC2)CCCO1 ZINC000372375775 187386636 /nfs/dbraw/zinc/38/66/36/187386636.db2.gz LJPGAIHHIQYHTJ-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623494316 362917202 /nfs/dbraw/zinc/91/72/02/362917202.db2.gz LYVGPHXBHOZATR-XBFCOCLRSA-N 1 3 240.391 1.589 20 0 BDADHO COCCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395097691 323187020 /nfs/dbraw/zinc/18/70/20/323187020.db2.gz DEVKSNYPDQHABM-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000388379703 349998051 /nfs/dbraw/zinc/99/80/51/349998051.db2.gz KKXHUTYZBHQHRC-VXGBXAGGSA-N 1 3 214.353 1.663 20 0 BDADHO CSCC1(CC[NH2+][C@@H](C)C2CNC2)CC1 ZINC000596650227 348605393 /nfs/dbraw/zinc/60/53/93/348605393.db2.gz JWCMFACRSPMHLI-JTQLQIEISA-N 1 3 228.405 1.717 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCCOC1 ZINC000070011477 490195670 /nfs/dbraw/zinc/19/56/70/490195670.db2.gz YRQJZFGZTVFUGZ-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CCC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000382189060 348964235 /nfs/dbraw/zinc/96/42/35/348964235.db2.gz BIMBWKNLQDOGOD-IJLUTSLNSA-N 1 3 214.353 1.661 20 0 BDADHO CCC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)OC ZINC000382189068 348964247 /nfs/dbraw/zinc/96/42/47/348964247.db2.gz BIMBWKNLQDOGOD-SDDRHHMPSA-N 1 3 214.353 1.661 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCCO2)C1 ZINC000250816719 349180460 /nfs/dbraw/zinc/18/04/60/349180460.db2.gz FKBUMPCKCICVAL-GRYCIOLGSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@@H](NCC[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000530211535 323211411 /nfs/dbraw/zinc/21/14/11/323211411.db2.gz METULNBIFRYAIH-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NCC[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211532 323211727 /nfs/dbraw/zinc/21/17/27/323211727.db2.gz METULNBIFRYAIH-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC000421848569 192392948 /nfs/dbraw/zinc/39/29/48/192392948.db2.gz ARSGTCSDLFHMGB-AWEZNQCLSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000421848569 192392951 /nfs/dbraw/zinc/39/29/51/192392951.db2.gz ARSGTCSDLFHMGB-AWEZNQCLSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCOC2)C1 ZINC000070968178 350077348 /nfs/dbraw/zinc/07/73/48/350077348.db2.gz QPSATRDGNGMACF-VXGBXAGGSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCOC2)C1 ZINC000070968178 350077350 /nfs/dbraw/zinc/07/73/50/350077350.db2.gz QPSATRDGNGMACF-VXGBXAGGSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000070968178 350077352 /nfs/dbraw/zinc/07/73/52/350077352.db2.gz QPSATRDGNGMACF-VXGBXAGGSA-N 1 3 212.337 1.095 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000581661115 350039061 /nfs/dbraw/zinc/03/90/61/350039061.db2.gz MCWNXPHLWPSYCG-WHOHXGKFSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)C1CCCCC1 ZINC000422705766 192435463 /nfs/dbraw/zinc/43/54/63/192435463.db2.gz SDQXETTWEBVJGN-DMDPSCGWSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1ccc2nc(CN[C@H](C)CCC[NH3+])cn2c1 ZINC000422719927 192442721 /nfs/dbraw/zinc/44/27/21/192442721.db2.gz RQKAVJJLUWIZLO-GFCCVEGCSA-N 1 3 246.358 1.860 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000132373789 191030508 /nfs/dbraw/zinc/03/05/08/191030508.db2.gz UQSGAVUCFNJFBO-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000132373789 191030510 /nfs/dbraw/zinc/03/05/10/191030510.db2.gz UQSGAVUCFNJFBO-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[NH+]1CCC(NCC(C)(C)OC)CC1 ZINC000133376934 191039797 /nfs/dbraw/zinc/03/97/97/191039797.db2.gz OUGRYMBBGRXZRW-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000449619165 201987530 /nfs/dbraw/zinc/98/75/30/201987530.db2.gz OEGQOMMONHAIDW-UHFFFAOYSA-N 1 3 247.342 1.616 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357089570 180239181 /nfs/dbraw/zinc/23/91/81/180239181.db2.gz QDYRXJSOPPUTPU-KGLIPLIRSA-N 1 3 248.374 1.123 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428496875 191081225 /nfs/dbraw/zinc/08/12/25/191081225.db2.gz QAGCKHGWGVTIOG-SNVBAGLBSA-N 1 3 241.379 1.138 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000083528255 350237407 /nfs/dbraw/zinc/23/74/07/350237407.db2.gz LUNUTPOMGLQPCF-STQMWFEESA-N 1 3 226.364 1.759 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCO1 ZINC000083528255 350237409 /nfs/dbraw/zinc/23/74/09/350237409.db2.gz LUNUTPOMGLQPCF-STQMWFEESA-N 1 3 226.364 1.759 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1CC[C@@H]1CCCO1 ZINC000083528255 350237411 /nfs/dbraw/zinc/23/74/11/350237411.db2.gz LUNUTPOMGLQPCF-STQMWFEESA-N 1 3 226.364 1.759 20 0 BDADHO N[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609659 350330759 /nfs/dbraw/zinc/33/07/59/350330759.db2.gz HIAGPPAMAFRAHG-UWVGGRQHSA-N 1 3 200.351 1.163 20 0 BDADHO N[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609659 350330762 /nfs/dbraw/zinc/33/07/62/350330762.db2.gz HIAGPPAMAFRAHG-UWVGGRQHSA-N 1 3 200.351 1.163 20 0 BDADHO Cc1ncsc1CCN1CC[C@@H](C[NH3+])C1 ZINC000050285441 180310099 /nfs/dbraw/zinc/31/00/99/180310099.db2.gz SUGCGKQPQXACSW-JTQLQIEISA-N 1 3 225.361 1.275 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H]1CCCC[C@H]1O ZINC000328166086 350377121 /nfs/dbraw/zinc/37/71/21/350377121.db2.gz IXJMVKMMLOXKKG-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO Cc1nn(C)c(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000271933831 180339663 /nfs/dbraw/zinc/33/96/63/180339663.db2.gz XJMCVPRJJJEDMY-UHFFFAOYSA-N 1 3 248.374 1.388 20 0 BDADHO Cc1nn(C)c(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000271933831 180339665 /nfs/dbraw/zinc/33/96/65/180339665.db2.gz XJMCVPRJJJEDMY-UHFFFAOYSA-N 1 3 248.374 1.388 20 0 BDADHO Cc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)cc[nH+]1 ZINC000162799263 350431329 /nfs/dbraw/zinc/43/13/29/350431329.db2.gz MIOCBLFRQGXEHJ-ZIAGYGMSSA-N 1 3 247.342 1.665 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000162879290 350452013 /nfs/dbraw/zinc/45/20/13/350452013.db2.gz WLLQAXFACSVMHP-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000162879290 350452014 /nfs/dbraw/zinc/45/20/14/350452014.db2.gz WLLQAXFACSVMHP-MJBXVCDLSA-N 1 3 240.391 1.564 20 0 BDADHO CN(C)C1(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623551744 362971945 /nfs/dbraw/zinc/97/19/45/362971945.db2.gz GBUJXXQAAPISIR-GFCCVEGCSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C1(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623551744 362971948 /nfs/dbraw/zinc/97/19/48/362971948.db2.gz GBUJXXQAAPISIR-GFCCVEGCSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C1(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623551744 362971953 /nfs/dbraw/zinc/97/19/53/362971953.db2.gz GBUJXXQAAPISIR-GFCCVEGCSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000250363053 350879757 /nfs/dbraw/zinc/87/97/57/350879757.db2.gz UHNURHIVYYERQM-RWMBFGLXSA-N 1 3 225.380 1.330 20 0 BDADHO Cc1ncc(CNC2CCC([NH+](C)C)CC2)o1 ZINC000628316051 351046219 /nfs/dbraw/zinc/04/62/19/351046219.db2.gz HKTIAFMNPFSBHA-UHFFFAOYSA-N 1 3 237.347 1.945 20 0 BDADHO CCN[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000637801684 351632572 /nfs/dbraw/zinc/63/25/72/351632572.db2.gz NWBNBHNVPAJUHL-SECBINFHSA-N 1 3 221.304 1.082 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000637808963 351645672 /nfs/dbraw/zinc/64/56/72/351645672.db2.gz NOBWYVZNVJXJDL-NSHDSACASA-N 1 3 249.358 1.733 20 0 BDADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CCC(C)C ZINC000637840615 351695411 /nfs/dbraw/zinc/69/54/11/351695411.db2.gz POGLVSITLSYGCL-NSHDSACASA-N 1 3 243.395 1.384 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768955 366059555 /nfs/dbraw/zinc/05/95/55/366059555.db2.gz YIHUKHSDVVNEDN-DBIOUOCHSA-N 1 3 248.317 1.395 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CCC(C)C ZINC000637867601 351731291 /nfs/dbraw/zinc/73/12/91/351731291.db2.gz VUMAHSJMVMMIGU-RYUDHWBXSA-N 1 3 243.395 1.384 20 0 BDADHO CC[C@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)N(C)C ZINC000637852667 351712576 /nfs/dbraw/zinc/71/25/76/351712576.db2.gz WSGATYSACRHUFF-YPMHNXCESA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)C1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000638186443 352050251 /nfs/dbraw/zinc/05/02/51/352050251.db2.gz UBRMQBKQWIFBMN-RYUDHWBXSA-N 1 3 208.349 1.574 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638365344 352176573 /nfs/dbraw/zinc/17/65/73/352176573.db2.gz ZBPQZHRMBKFWIT-UHFFFAOYSA-N 1 3 247.342 1.392 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638410250 352217388 /nfs/dbraw/zinc/21/73/88/352217388.db2.gz YIISTLAGQIPXGI-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638410250 352217391 /nfs/dbraw/zinc/21/73/91/352217391.db2.gz YIISTLAGQIPXGI-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638410250 352217395 /nfs/dbraw/zinc/21/73/95/352217395.db2.gz YIISTLAGQIPXGI-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCCC[C@H](COC)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414947133 352370804 /nfs/dbraw/zinc/37/08/04/352370804.db2.gz KOHOEHRTUUUUGX-FRRDWIJNSA-N 1 3 228.380 1.922 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414947133 352370807 /nfs/dbraw/zinc/37/08/07/352370807.db2.gz KOHOEHRTUUUUGX-FRRDWIJNSA-N 1 3 228.380 1.922 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831329 352605003 /nfs/dbraw/zinc/60/50/03/352605003.db2.gz MHNMVVKCUUSUKV-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@@H]1[C@@H](CO)CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000412079246 191254101 /nfs/dbraw/zinc/25/41/01/191254101.db2.gz LCEIAKSSWIXSJR-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1[C@@H](CO)CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000412079246 191254104 /nfs/dbraw/zinc/25/41/04/191254104.db2.gz LCEIAKSSWIXSJR-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@H]3CCCO3)C2)C1 ZINC000334235415 352852765 /nfs/dbraw/zinc/85/27/65/352852765.db2.gz HAPWMTWYMUHVIK-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCN(C[C@H]3CCCO3)C2)C1 ZINC000334235415 352852767 /nfs/dbraw/zinc/85/27/67/352852767.db2.gz HAPWMTWYMUHVIK-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO CC(C)N(CC[NH2+][C@H]1CN(C)C[C@@H]1C)C(C)C ZINC000342852764 352875395 /nfs/dbraw/zinc/87/53/95/352875395.db2.gz RTHXDQYYVXHYCO-KBPBESRZSA-N 1 3 241.423 1.645 20 0 BDADHO CO[C@H](C[NH2+]CC1=CCN(C)CC1)CC(C)C ZINC000638839148 353016635 /nfs/dbraw/zinc/01/66/35/353016635.db2.gz YMZIKCVVPXGSHR-AWEZNQCLSA-N 1 3 240.391 1.899 20 0 BDADHO CC[C@@H](C)[C@@H](C[NH2+]CC1=CCN(C)CC1)OC ZINC000638838182 353023171 /nfs/dbraw/zinc/02/31/71/353023171.db2.gz DXKWLGPQHVZGQJ-TZMCWYRMSA-N 1 3 240.391 1.899 20 0 BDADHO CCN(CC)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820448 353000549 /nfs/dbraw/zinc/00/05/49/353000549.db2.gz WGGKZERHQYISEL-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CC1([NH3+])CCN([C@H]2CCSC2)CC1 ZINC000307514061 353080125 /nfs/dbraw/zinc/08/01/25/353080125.db2.gz OHLDGNPNMHMZFK-VIFPVBQESA-N 1 3 200.351 1.305 20 0 BDADHO C(C[N@@H+]1[C@@H]2CC[C@H]1CNCC2)OCC1CC1 ZINC000359805700 188069442 /nfs/dbraw/zinc/06/94/42/188069442.db2.gz MDXDRKZBIXBPQP-OLZOCXBDSA-N 1 3 224.348 1.239 20 0 BDADHO C(C[N@H+]1[C@@H]2CC[C@H]1CNCC2)OCC1CC1 ZINC000359805700 188069444 /nfs/dbraw/zinc/06/94/44/188069444.db2.gz MDXDRKZBIXBPQP-OLZOCXBDSA-N 1 3 224.348 1.239 20 0 BDADHO C1=CCN(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098249 /nfs/dbraw/zinc/09/82/49/188098249.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 1 3 249.402 1.465 20 0 BDADHO C1=CCN(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355569188 188098251 /nfs/dbraw/zinc/09/82/51/188098251.db2.gz QISSATSEUZNSFC-LSDHHAIUSA-N 1 3 249.402 1.465 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(CC(C)C)CC1 ZINC000055083697 188086778 /nfs/dbraw/zinc/08/67/78/188086778.db2.gz BWRJEAPMPKJTFG-CQSZACIVSA-N 1 3 241.423 1.633 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cccn2C)C1 ZINC000175013578 188164137 /nfs/dbraw/zinc/16/41/37/188164137.db2.gz CGLURJJKFRSILV-CHWSQXEVSA-N 1 3 235.375 1.988 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000331562374 188226573 /nfs/dbraw/zinc/22/65/73/188226573.db2.gz XJCVZIHIBJAPBU-TUAOUCFPSA-N 1 3 226.364 1.253 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000343273520 353302010 /nfs/dbraw/zinc/30/20/10/353302010.db2.gz YEDFAKQPIGBWDK-YRGRVCCFSA-N 1 3 237.391 1.010 20 0 BDADHO C[C@H](c1ccccn1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000252698933 353303831 /nfs/dbraw/zinc/30/38/31/353303831.db2.gz PXIDIYDVKJNIQW-UTUOFQBUSA-N 1 3 219.332 1.812 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252981656 353313873 /nfs/dbraw/zinc/31/38/73/353313873.db2.gz SDAYOXYNBIWXAI-DCAQKATOSA-N 1 3 214.378 1.599 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(O)c3)C[C@@H]21 ZINC000230126203 353473298 /nfs/dbraw/zinc/47/32/98/353473298.db2.gz NYESHHZTXMSUHL-VHDGCEQUSA-N 1 3 246.354 1.951 20 0 BDADHO C1CC1[C@@H]1OCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000232450697 353727141 /nfs/dbraw/zinc/72/71/41/353727141.db2.gz YFZVWULYZVYASS-AGIUHOORSA-N 1 3 224.348 1.286 20 0 BDADHO CC[NH2+]CC1CCN(CCOCC(C)C)CC1 ZINC000233486836 353823613 /nfs/dbraw/zinc/82/36/13/353823613.db2.gz GTAHIHBEMBJCEV-UHFFFAOYSA-N 1 3 242.407 1.981 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(CC)C[C@@H]2C)C1 ZINC000343557947 353921183 /nfs/dbraw/zinc/92/11/83/353921183.db2.gz GOHAHIVIBIXIQJ-BFHYXJOUSA-N 1 3 239.407 1.258 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915932 354040690 /nfs/dbraw/zinc/04/06/90/354040690.db2.gz GALPHUXYVTXSRE-STQMWFEESA-N 1 3 242.407 1.810 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)C(C)(C)C)CC1 ZINC000343915932 354040691 /nfs/dbraw/zinc/04/06/91/354040691.db2.gz GALPHUXYVTXSRE-STQMWFEESA-N 1 3 242.407 1.810 20 0 BDADHO C[NH+](C)[C@H]1CCCN(C[C@H](O)C(C)(C)C)CC1 ZINC000343915932 354040693 /nfs/dbraw/zinc/04/06/93/354040693.db2.gz GALPHUXYVTXSRE-STQMWFEESA-N 1 3 242.407 1.810 20 0 BDADHO CN(C)CCN(C)CCC[N@H+](C)CCC1CC1 ZINC000344019911 354082136 /nfs/dbraw/zinc/08/21/36/354082136.db2.gz AFVKOXZYYZIHJN-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO CN(C)CCN(C)CCC[N@@H+](C)CCC1CC1 ZINC000344019911 354082139 /nfs/dbraw/zinc/08/21/39/354082139.db2.gz AFVKOXZYYZIHJN-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO COCC1(CN(C)CCC[NH+](C)C)CCC1 ZINC000639167124 354046552 /nfs/dbraw/zinc/04/65/52/354046552.db2.gz AUXVXUOCPMHSJK-UHFFFAOYSA-N 1 3 228.380 1.687 20 0 BDADHO CN(CCC[C@@H]1CCO1)CCC[NH+](C)C ZINC000639168751 354055257 /nfs/dbraw/zinc/05/52/57/354055257.db2.gz XQWXMDOWYRIDOH-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCCN(C)CCN(C)C ZINC000344029798 354091991 /nfs/dbraw/zinc/09/19/91/354091991.db2.gz AVPNDGJKVNVBHE-CYBMUJFWSA-N 1 3 229.412 1.600 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344029798 354091994 /nfs/dbraw/zinc/09/19/94/354091994.db2.gz AVPNDGJKVNVBHE-CYBMUJFWSA-N 1 3 229.412 1.600 20 0 BDADHO C(C[NH2+]C[C@@H]1CCCOC1)CN1CCCCC1 ZINC000113462961 355006749 /nfs/dbraw/zinc/00/67/49/355006749.db2.gz GZVCJFRMPKNALB-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](N)C2)cc1 ZINC000346635359 355014599 /nfs/dbraw/zinc/01/45/99/355014599.db2.gz GOPBAJOIQYDXIF-DGCLKSJQSA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@H](C)C[N@H+]2CC[C@@H](N)C2)cc1 ZINC000346635359 355014602 /nfs/dbraw/zinc/01/46/02/355014602.db2.gz GOPBAJOIQYDXIF-DGCLKSJQSA-N 1 3 234.343 1.832 20 0 BDADHO CCCCN(CCOC)C[C@H]1CCC[NH2+]C1 ZINC000346853633 355139048 /nfs/dbraw/zinc/13/90/48/355139048.db2.gz LWDGQXHDTBDKFW-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO CCCC[N@H+](CCOC)C[C@H]1CCCNC1 ZINC000346853633 355139054 /nfs/dbraw/zinc/13/90/54/355139054.db2.gz LWDGQXHDTBDKFW-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO CCCC[N@@H+](CCOC)C[C@H]1CCCNC1 ZINC000346853633 355139056 /nfs/dbraw/zinc/13/90/56/355139056.db2.gz LWDGQXHDTBDKFW-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO CN(C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[NH2+]C1 ZINC000346975391 355209998 /nfs/dbraw/zinc/20/99/98/355209998.db2.gz IXAQGMSLXPTZOT-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCCNC1 ZINC000346975391 355209999 /nfs/dbraw/zinc/20/99/99/355209999.db2.gz IXAQGMSLXPTZOT-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[N@@H+](C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCCNC1 ZINC000346975391 355210000 /nfs/dbraw/zinc/21/00/00/355210000.db2.gz IXAQGMSLXPTZOT-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO Cc1nccn1C[C@@H]1CCCN1CC(C)(C)[NH3+] ZINC000346978303 355212990 /nfs/dbraw/zinc/21/29/90/355212990.db2.gz LBXBUDKLGHTXPL-LBPRGKRZSA-N 1 3 236.363 1.393 20 0 BDADHO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(C)(C)N ZINC000346978303 355212993 /nfs/dbraw/zinc/21/29/93/355212993.db2.gz LBXBUDKLGHTXPL-LBPRGKRZSA-N 1 3 236.363 1.393 20 0 BDADHO Cc1nccn1C[C@@H]1CCC[N@H+]1CC(C)(C)N ZINC000346978303 355212996 /nfs/dbraw/zinc/21/29/96/355212996.db2.gz LBXBUDKLGHTXPL-LBPRGKRZSA-N 1 3 236.363 1.393 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000346988387 355188458 /nfs/dbraw/zinc/18/84/58/355188458.db2.gz QYAJIJBNVNZJQB-VXGBXAGGSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)[C@H](CO)C(C)(C)C ZINC000346988387 355188460 /nfs/dbraw/zinc/18/84/60/355188460.db2.gz QYAJIJBNVNZJQB-VXGBXAGGSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)[C@H](CO)C(C)(C)C ZINC000346988387 355188462 /nfs/dbraw/zinc/18/84/62/355188462.db2.gz QYAJIJBNVNZJQB-VXGBXAGGSA-N 1 3 228.380 1.325 20 0 BDADHO COC(=O)CC1(NC[C@H]2CCC[NH2+]C2)CCC1 ZINC000346996823 355194731 /nfs/dbraw/zinc/19/47/31/355194731.db2.gz DAJZMCLJPZVPCS-NSHDSACASA-N 1 3 240.347 1.061 20 0 BDADHO COC(=O)CC1([NH2+]C[C@H]2CCCNC2)CCC1 ZINC000346996823 355194735 /nfs/dbraw/zinc/19/47/35/355194735.db2.gz DAJZMCLJPZVPCS-NSHDSACASA-N 1 3 240.347 1.061 20 0 BDADHO CC[C@H](CN1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000412975575 191347230 /nfs/dbraw/zinc/34/72/30/191347230.db2.gz FYNJLTRXOKFZAH-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@H](CN1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975575 191347233 /nfs/dbraw/zinc/34/72/33/191347233.db2.gz FYNJLTRXOKFZAH-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@H](C)CNC1CC[NH+](C(C)C)CC1 ZINC000191199145 355344357 /nfs/dbraw/zinc/34/43/57/355344357.db2.gz SXZLXRFLEWVKMH-LLVKDONJSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)c1cccc(CN(C)C)c1 ZINC000349941313 355532792 /nfs/dbraw/zinc/53/27/92/355532792.db2.gz WTGCWJTVJLOJGK-LLVKDONJSA-N 1 3 249.358 1.215 20 0 BDADHO CCCN(C)CC(=O)NCC[N@H+](CC)CCC ZINC000350002325 355573544 /nfs/dbraw/zinc/57/35/44/355573544.db2.gz JTHGMNOMMOIKSB-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCCN(C)CC(=O)NCC[N@@H+](CC)CCC ZINC000350002325 355573546 /nfs/dbraw/zinc/57/35/46/355573546.db2.gz JTHGMNOMMOIKSB-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO C[NH+](C)CC1CCN(Cc2ccccn2)CC1 ZINC000350226011 355652240 /nfs/dbraw/zinc/65/22/40/355652240.db2.gz ZXSXPEDQFUVDOY-UHFFFAOYSA-N 1 3 233.359 1.855 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191656946 355753752 /nfs/dbraw/zinc/75/37/52/355753752.db2.gz NZQAICPEASKCPZ-QNWHQSFQSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000191656946 355753755 /nfs/dbraw/zinc/75/37/55/355753755.db2.gz NZQAICPEASKCPZ-QNWHQSFQSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000389142720 355730585 /nfs/dbraw/zinc/73/05/85/355730585.db2.gz YQSFNXBNEBBDNR-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@@H]1CCOC1(C)C ZINC000328263981 355851097 /nfs/dbraw/zinc/85/10/97/355851097.db2.gz SRLONQARLCRWIM-GFCCVEGCSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@@H]1CCOC1(C)C ZINC000328263981 355851101 /nfs/dbraw/zinc/85/11/01/355851101.db2.gz SRLONQARLCRWIM-GFCCVEGCSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328263981 355851102 /nfs/dbraw/zinc/85/11/02/355851102.db2.gz SRLONQARLCRWIM-GFCCVEGCSA-N 1 3 228.380 1.874 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417809251 191932542 /nfs/dbraw/zinc/93/25/42/191932542.db2.gz GRNSCGATIXNZAH-IJLUTSLNSA-N 1 3 241.379 1.008 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOCC3CC3)C[C@H]12 ZINC000351492430 356001472 /nfs/dbraw/zinc/00/14/72/356001472.db2.gz KWFQWFHURRJLNI-FRRDWIJNSA-N 1 3 224.348 1.082 20 0 BDADHO CC(C)OC(=O)CC[N@H+](C)C1CCNCC1 ZINC000420269594 192195054 /nfs/dbraw/zinc/19/50/54/192195054.db2.gz IJMMCIHOZOCEHS-UHFFFAOYSA-N 1 3 228.336 1.012 20 0 BDADHO CC(C)OC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000420269594 192195056 /nfs/dbraw/zinc/19/50/56/192195056.db2.gz IJMMCIHOZOCEHS-UHFFFAOYSA-N 1 3 228.336 1.012 20 0 BDADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@H](O)CN)c1 ZINC000420349920 192218198 /nfs/dbraw/zinc/21/81/98/192218198.db2.gz FEHLVHAMMIYQDV-DGCLKSJQSA-N 1 3 222.332 1.307 20 0 BDADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@H](O)CN)c1 ZINC000420349920 192218200 /nfs/dbraw/zinc/21/82/00/192218200.db2.gz FEHLVHAMMIYQDV-DGCLKSJQSA-N 1 3 222.332 1.307 20 0 BDADHO CC(C)OCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420354333 192218645 /nfs/dbraw/zinc/21/86/45/192218645.db2.gz CYAIXECNEGGUPK-ZDUSSCGKSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@H]1CCCCO1 ZINC000420308133 192211035 /nfs/dbraw/zinc/21/10/35/192211035.db2.gz CLQPQEHGNOYPGN-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@H]1CCCCO1 ZINC000420308133 192211038 /nfs/dbraw/zinc/21/10/38/192211038.db2.gz CLQPQEHGNOYPGN-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)[NH2+]C1CCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000639527511 356376706 /nfs/dbraw/zinc/37/67/06/356376706.db2.gz RRNJYFKTUNFHGE-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NCCOCC(F)(F)F ZINC000420354439 192220680 /nfs/dbraw/zinc/22/06/80/192220680.db2.gz CZTJTDQGVKZFSA-MRVPVSSYSA-N 1 3 242.285 1.528 20 0 BDADHO CCOC(=O)[C@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420360308 192221884 /nfs/dbraw/zinc/22/18/84/192221884.db2.gz LWCFOSDSDGRJTF-VXGBXAGGSA-N 1 3 240.347 1.014 20 0 BDADHO C[NH2+]CCCN(CCC(=O)OC)CC(C)C ZINC000420360322 192222312 /nfs/dbraw/zinc/22/23/12/192222312.db2.gz LWYVZUOAHPCFRB-UHFFFAOYSA-N 1 3 230.352 1.117 20 0 BDADHO [NH3+]CCOCCN1CCC(c2ccncc2)CC1 ZINC000420367426 192225684 /nfs/dbraw/zinc/22/56/84/192225684.db2.gz VWWJBKOHZCRBNQ-UHFFFAOYSA-N 1 3 249.358 1.236 20 0 BDADHO CCOCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420381876 192235562 /nfs/dbraw/zinc/23/55/62/192235562.db2.gz CUMLKTUQZWFRLT-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390131 192237364 /nfs/dbraw/zinc/23/73/64/192237364.db2.gz XZMAXIMUFMYIPR-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO CC(C)OCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420404460 192238409 /nfs/dbraw/zinc/23/84/09/192238409.db2.gz SFFRMXBPRWNUMN-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420655 192240525 /nfs/dbraw/zinc/24/05/25/192240525.db2.gz YCECHMUKFVHWAO-RYUDHWBXSA-N 1 3 219.332 1.732 20 0 BDADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420657 192241242 /nfs/dbraw/zinc/24/12/42/192241242.db2.gz YCECHMUKFVHWAO-VXGBXAGGSA-N 1 3 219.332 1.732 20 0 BDADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccccn1 ZINC000420420653 192241350 /nfs/dbraw/zinc/24/13/50/192241350.db2.gz YCECHMUKFVHWAO-NWDGAFQWSA-N 1 3 219.332 1.732 20 0 BDADHO C[C@@H](NCCOCC[NH3+])c1ccc(Cl)cc1 ZINC000420375276 192231735 /nfs/dbraw/zinc/23/17/35/192231735.db2.gz PCBBEIKTAXLBBW-SNVBAGLBSA-N 1 3 242.750 1.966 20 0 BDADHO CCOCCCN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420376571 192231830 /nfs/dbraw/zinc/23/18/30/192231830.db2.gz VFIPFWLZOBPTQA-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO [NH3+]C[C@H](NCCOCC1CC1)C1CCCCC1 ZINC000420379120 192233626 /nfs/dbraw/zinc/23/36/26/192233626.db2.gz XKYMUHVEVWTSGZ-AWEZNQCLSA-N 1 3 240.391 1.910 20 0 BDADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631180706 356455674 /nfs/dbraw/zinc/45/56/74/356455674.db2.gz IJTAUJPVLLSUFK-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CCCCOCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222908932 535313819 /nfs/dbraw/zinc/31/38/19/535313819.db2.gz BFMIDVPFBFLHAT-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCCCOCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222908932 535313823 /nfs/dbraw/zinc/31/38/23/535313823.db2.gz BFMIDVPFBFLHAT-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CO[C@H](C)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639706279 356614762 /nfs/dbraw/zinc/61/47/62/356614762.db2.gz XGVKOZFGKLQAFS-CYBMUJFWSA-N 1 3 249.358 1.629 20 0 BDADHO CO[C@H](C)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639706279 356614766 /nfs/dbraw/zinc/61/47/66/356614766.db2.gz XGVKOZFGKLQAFS-CYBMUJFWSA-N 1 3 249.358 1.629 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000422950580 192524604 /nfs/dbraw/zinc/52/46/04/192524604.db2.gz YKDGVDDMLHQQIU-NNYUYHANSA-N 1 3 212.337 1.142 20 0 BDADHO CCc1cc(N2CCO[C@@H](CN(C)C)C2)cc[nH+]1 ZINC000450318466 202126739 /nfs/dbraw/zinc/12/67/39/202126739.db2.gz JTXSFXUJROEBEV-AWEZNQCLSA-N 1 3 249.358 1.411 20 0 BDADHO Cc1ccccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287523 356657057 /nfs/dbraw/zinc/65/70/57/356657057.db2.gz ZPVURFKGZOLNEU-KBPBESRZSA-N 1 3 216.328 1.646 20 0 BDADHO Cc1cc(CN2CCC3(C2)CC[NH+](C)CC3)on1 ZINC000639755827 356659247 /nfs/dbraw/zinc/65/92/47/356659247.db2.gz OBMXVCKFOIBKDI-UHFFFAOYSA-N 1 3 249.358 1.901 20 0 BDADHO C[C@@H]1CCN(CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000167762360 134153681 /nfs/dbraw/zinc/15/36/81/134153681.db2.gz HCKZWULLMOEZIX-KGLIPLIRSA-N 1 3 248.370 1.982 20 0 BDADHO CC(C)CCOCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167791147 134154211 /nfs/dbraw/zinc/15/42/11/134154211.db2.gz VWJQNUIRWKETFM-KBPBESRZSA-N 1 3 242.407 1.966 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCc2n[nH]cc2C1 ZINC000578185494 366370148 /nfs/dbraw/zinc/37/01/48/366370148.db2.gz MLRWTIFVQSGUDF-BZPMIXESSA-N 1 3 248.374 1.517 20 0 BDADHO C[C@H](Cc1ccoc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423221445 192633161 /nfs/dbraw/zinc/63/31/61/192633161.db2.gz ZWAYDMRHTGEFOY-DGCLKSJQSA-N 1 3 222.332 1.800 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2CCO[C@H]2C)CC1 ZINC000120058204 357031763 /nfs/dbraw/zinc/03/17/63/357031763.db2.gz CLPVBBSZNJIBLU-JSGCOSHPSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCCNC1)C1CCCC1 ZINC000423217092 192632042 /nfs/dbraw/zinc/63/20/42/192632042.db2.gz SVMSTYPRUDFORY-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@H](NC[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423217092 192632044 /nfs/dbraw/zinc/63/20/44/192632044.db2.gz SVMSTYPRUDFORY-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000656200543 538784251 /nfs/dbraw/zinc/78/42/51/538784251.db2.gz ORRRXNMIHKYEQZ-VXGBXAGGSA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374420304 357160189 /nfs/dbraw/zinc/16/01/89/357160189.db2.gz LECCIDXFUONFQU-HZSPNIEDSA-N 1 3 240.391 1.826 20 0 BDADHO CC(C)SCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000393658392 357291752 /nfs/dbraw/zinc/29/17/52/357291752.db2.gz OMGOIGOJLQGXFW-MNOVXSKESA-N 1 3 216.394 1.988 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCC[C@H]1O ZINC000393244034 357279354 /nfs/dbraw/zinc/27/93/54/357279354.db2.gz NJBCPXSWQWYFON-YVECIDJPSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000393244034 357279357 /nfs/dbraw/zinc/27/93/57/357279357.db2.gz NJBCPXSWQWYFON-YVECIDJPSA-N 1 3 226.364 1.349 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000393244034 357279361 /nfs/dbraw/zinc/27/93/61/357279361.db2.gz NJBCPXSWQWYFON-YVECIDJPSA-N 1 3 226.364 1.349 20 0 BDADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)C(C)(C)C ZINC000230711612 357573990 /nfs/dbraw/zinc/57/39/90/357573990.db2.gz JAALGCYIFDKHIA-LLVKDONJSA-N 1 3 243.395 1.160 20 0 BDADHO C[C@@H](N[C@@H](C)Cc1ccsc1)C1C[NH2+]C1 ZINC000583257239 357732766 /nfs/dbraw/zinc/73/27/66/357732766.db2.gz QQVYAXGYCVIVEE-VHSXEESVSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C1CNC1 ZINC000583257239 357732769 /nfs/dbraw/zinc/73/27/69/357732769.db2.gz QQVYAXGYCVIVEE-VHSXEESVSA-N 1 3 224.373 1.877 20 0 BDADHO CCOCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000193079905 357866897 /nfs/dbraw/zinc/86/68/97/357866897.db2.gz ZGHKALWSLJOWFO-UHFFFAOYSA-N 1 3 240.391 1.831 20 0 BDADHO COc1ccc2c(c1)[C@H](NCCC[NH3+])CC2 ZINC000086244598 357876351 /nfs/dbraw/zinc/87/63/51/357876351.db2.gz GDGVIASPGWDJGR-CYBMUJFWSA-N 1 3 220.316 1.621 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)[C@@H](C)O1 ZINC000382577965 357918852 /nfs/dbraw/zinc/91/88/52/357918852.db2.gz CLNAGVNMCMLRTP-FOGDFJRCSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCNC2CC2)[C@@H](C)O1 ZINC000382577965 357918853 /nfs/dbraw/zinc/91/88/53/357918853.db2.gz CLNAGVNMCMLRTP-FOGDFJRCSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1ccoc1 ZINC000219304381 357994988 /nfs/dbraw/zinc/99/49/88/357994988.db2.gz DWSIICCFVQMWNI-LLVKDONJSA-N 1 3 226.320 1.508 20 0 BDADHO C(CN1CCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000168739659 134247634 /nfs/dbraw/zinc/24/76/34/134247634.db2.gz GWPUMVPYUBYSRG-ZDUSSCGKSA-N 1 3 225.380 1.204 20 0 BDADHO CCC1([NH+](C)C)CCN(C[C@H]2CCOC2)CC1 ZINC000640018198 358080960 /nfs/dbraw/zinc/08/09/60/358080960.db2.gz WGJZQFXMXDUCMF-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CCC1(N(C)C)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000640018198 358080963 /nfs/dbraw/zinc/08/09/63/358080963.db2.gz WGJZQFXMXDUCMF-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000223025855 358213831 /nfs/dbraw/zinc/21/38/31/358213831.db2.gz FMQYTJARATZKAY-AXFHLTTASA-N 1 3 200.326 1.271 20 0 BDADHO C[C@H](c1cnccn1)N1CCC[C@@H](CC[NH3+])C1 ZINC000226969368 358347028 /nfs/dbraw/zinc/34/70/28/358347028.db2.gz HNBYZAOTZSSICC-NEPJUHHUSA-N 1 3 234.347 1.598 20 0 BDADHO OCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173880398 134277854 /nfs/dbraw/zinc/27/78/54/134277854.db2.gz PIEKAYAQKKLBFB-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO OCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173880398 134277855 /nfs/dbraw/zinc/27/78/55/134277855.db2.gz PIEKAYAQKKLBFB-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000219374490 134281431 /nfs/dbraw/zinc/28/14/31/134281431.db2.gz HNZZFHSYVRSVSB-MROQNXINSA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)C1CC([NH2+]CCOCCN(C)C)C1 ZINC000219306442 134281569 /nfs/dbraw/zinc/28/15/69/134281569.db2.gz LLRWFHIXJOVOSM-UHFFFAOYSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1cccnc1 ZINC000219304833 134281592 /nfs/dbraw/zinc/28/15/92/134281592.db2.gz PTVBSBNVUZWLRG-LBPRGKRZSA-N 1 3 237.347 1.310 20 0 BDADHO CC[NH+](CC)CCNC(=O)[C@H](C(C)C)N(C)C ZINC000129946402 358602071 /nfs/dbraw/zinc/60/20/71/358602071.db2.gz AFXJRNSVGJQFCS-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO COC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130252305 358615048 /nfs/dbraw/zinc/61/50/48/358615048.db2.gz IKABRSCPQHLURP-MJBXVCDLSA-N 1 3 238.375 1.628 20 0 BDADHO COC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130252305 358615050 /nfs/dbraw/zinc/61/50/50/358615050.db2.gz IKABRSCPQHLURP-MJBXVCDLSA-N 1 3 238.375 1.628 20 0 BDADHO CCCN1CCC([NH2+][C@H](C)CN(C)C)CC1 ZINC000130345416 358619325 /nfs/dbraw/zinc/61/93/25/358619325.db2.gz KAGXIHRXRSOXNO-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000132431861 358722839 /nfs/dbraw/zinc/72/28/39/358722839.db2.gz LRZNWKGUBJRPEU-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000132431861 358722843 /nfs/dbraw/zinc/72/28/43/358722843.db2.gz LRZNWKGUBJRPEU-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000132431447 358723079 /nfs/dbraw/zinc/72/30/79/358723079.db2.gz LRZNWKGUBJRPEU-RWMBFGLXSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000132431447 358723082 /nfs/dbraw/zinc/72/30/82/358723082.db2.gz LRZNWKGUBJRPEU-RWMBFGLXSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000132432032 358723400 /nfs/dbraw/zinc/72/34/00/358723400.db2.gz LRZNWKGUBJRPEU-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000132432032 358723401 /nfs/dbraw/zinc/72/34/01/358723401.db2.gz LRZNWKGUBJRPEU-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO C[NH+](C)CC1CCN(Cc2ccnc(N)c2)CC1 ZINC000052725810 358791283 /nfs/dbraw/zinc/79/12/83/358791283.db2.gz OOABZIJTGKHXKL-UHFFFAOYSA-N 1 3 248.374 1.437 20 0 BDADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC1 ZINC000177206785 134296433 /nfs/dbraw/zinc/29/64/33/134296433.db2.gz VKZUMXLGNNOONM-GFCCVEGCSA-N 1 3 239.407 1.401 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCCOC2)CC1 ZINC000071011021 359070368 /nfs/dbraw/zinc/07/03/68/359070368.db2.gz XBBIQDNBHIVISU-ZDUSSCGKSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CCOC1 ZINC000246813098 359167931 /nfs/dbraw/zinc/16/79/31/359167931.db2.gz AFNWDBFJZJVSSY-IGQOVBAYSA-N 1 3 240.391 1.874 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241293 202384678 /nfs/dbraw/zinc/38/46/78/202384678.db2.gz JBJGNFQEGNVXBU-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1CCOC1(C)C ZINC000451241293 202384680 /nfs/dbraw/zinc/38/46/80/202384680.db2.gz JBJGNFQEGNVXBU-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@@H]1CCOC1(C)C ZINC000451241293 202384682 /nfs/dbraw/zinc/38/46/82/202384682.db2.gz JBJGNFQEGNVXBU-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](COC)C1CC1 ZINC000087477264 359913994 /nfs/dbraw/zinc/91/39/94/359913994.db2.gz LVFLGIJMSDAZHB-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](COC)C1CC1 ZINC000087477264 359913998 /nfs/dbraw/zinc/91/39/98/359913998.db2.gz LVFLGIJMSDAZHB-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO CC[NH+](CC)CCCN[C@H](COC)C1CC1 ZINC000087477267 359914474 /nfs/dbraw/zinc/91/44/74/359914474.db2.gz LVFLGIJMSDAZHB-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](COC)C1CC1 ZINC000087477267 359914477 /nfs/dbraw/zinc/91/44/77/359914477.db2.gz LVFLGIJMSDAZHB-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@@]1(CN[C@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617341 366608990 /nfs/dbraw/zinc/60/89/90/366608990.db2.gz DFYSZQYRVKWXSU-KGLIPLIRSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@]1(CN[C@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617343 366609040 /nfs/dbraw/zinc/60/90/40/366609040.db2.gz DFYSZQYRVKWXSU-ZIAGYGMSSA-N 1 3 240.391 1.779 20 0 BDADHO Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089146297 359993185 /nfs/dbraw/zinc/99/31/85/359993185.db2.gz TXIJEWCBEJHXEV-KGLIPLIRSA-N 1 3 233.359 1.997 20 0 BDADHO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000090721470 360085431 /nfs/dbraw/zinc/08/54/31/360085431.db2.gz HIGJHFSPJYXSPD-VXGBXAGGSA-N 1 3 249.358 1.668 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CCC2)CCN1C ZINC000097928131 360382742 /nfs/dbraw/zinc/38/27/42/360382742.db2.gz VHLZMXIQTSRCKU-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CCC([NH2+]CC2(N(C)C)CCC2)CC1 ZINC000097928266 360383532 /nfs/dbraw/zinc/38/35/32/360383532.db2.gz LDVRINBBAIQCQI-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO [NH3+]C1CCN(C[C@@H]2CCSC2)CC1 ZINC000224608297 360523022 /nfs/dbraw/zinc/52/30/22/360523022.db2.gz PECSOIITNIVHCE-VIFPVBQESA-N 1 3 200.351 1.163 20 0 BDADHO CC[NH+](CC)CCCN[C@@]1(CC)CCOC1 ZINC000309638809 491153324 /nfs/dbraw/zinc/15/33/24/491153324.db2.gz KGESSGOWFCILQX-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CCN(CC)CCC[NH2+][C@@]1(CC)CCOC1 ZINC000309638809 491153325 /nfs/dbraw/zinc/15/33/25/491153325.db2.gz KGESSGOWFCILQX-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO [NH3+]CCCOCCNCc1ccccc1 ZINC000629398495 361048607 /nfs/dbraw/zinc/04/86/07/361048607.db2.gz UUWAEMLCPWBXQX-UHFFFAOYSA-N 1 3 208.305 1.142 20 0 BDADHO CC(C)[C@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000629418387 361062896 /nfs/dbraw/zinc/06/28/96/361062896.db2.gz XNZFGHAYUURGIG-ZOBORPQBSA-N 1 3 240.391 1.920 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511942 361105961 /nfs/dbraw/zinc/10/59/61/361105961.db2.gz CKTQNPSJXGNAHP-ZNMIVQPWSA-N 1 3 246.354 1.597 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000629517338 361114364 /nfs/dbraw/zinc/11/43/64/361114364.db2.gz LVIWMYIIYNHARK-XQQFMLRXSA-N 1 3 238.375 1.818 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccc(C)o1 ZINC000629528602 361136427 /nfs/dbraw/zinc/13/64/27/361136427.db2.gz DRWKFCSNUQCWGH-LLVKDONJSA-N 1 3 226.320 1.475 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cccc(C)c1 ZINC000629528933 361138622 /nfs/dbraw/zinc/13/86/22/361138622.db2.gz NHNTWBZEOGPQRH-ZDUSSCGKSA-N 1 3 236.359 1.882 20 0 BDADHO CCO[C@H](CN1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CC1 ZINC000629532309 361151995 /nfs/dbraw/zinc/15/19/95/361151995.db2.gz UVKKJMIJNWKQRS-MGPQQGTHSA-N 1 3 238.375 1.485 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])N(CC)CC ZINC000578993304 366689466 /nfs/dbraw/zinc/68/94/66/366689466.db2.gz SJRCCECWIUGCET-QJPTWQEYSA-N 1 3 243.395 1.349 20 0 BDADHO CSC[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000579222319 366737238 /nfs/dbraw/zinc/73/72/38/366737238.db2.gz JLOHZNQHFLAYQL-LBPRGKRZSA-N 1 3 246.420 1.173 20 0 BDADHO CCCN(C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000428459678 201019510 /nfs/dbraw/zinc/01/95/10/201019510.db2.gz NEJRPNWDDSBAHW-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H](F)C1)[C@H]1CC[NH2+]C1 ZINC000579232637 366740726 /nfs/dbraw/zinc/74/07/26/366740726.db2.gz RWEPQHSMMJOCPR-FIQHERPVSA-N 1 3 214.328 1.855 20 0 BDADHO COCC[C@H]1CCC[C@@H]1[NH2+]CC[C@H](C)N ZINC000622044949 370674300 /nfs/dbraw/zinc/67/43/00/370674300.db2.gz YPTCAPBOIHTISO-TUAOUCFPSA-N 1 3 214.353 1.519 20 0 BDADHO COC[C@]1(CNC(C2CC2)C2CC2)CCC[NH2+]1 ZINC000579342325 366761807 /nfs/dbraw/zinc/76/18/07/366761807.db2.gz FVOUAAVHPJNDPF-CQSZACIVSA-N 1 3 238.375 1.533 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000629554501 361443277 /nfs/dbraw/zinc/44/32/77/361443277.db2.gz JXSXJRJQXVERBR-KKOKHZNYSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1ccc(CCN(C)CCOCC[NH3+])cc1 ZINC000629579275 361464366 /nfs/dbraw/zinc/46/43/66/361464366.db2.gz QKJBWIBLZBSRBU-UHFFFAOYSA-N 1 3 236.359 1.445 20 0 BDADHO C(CN1CCCC2(CC2)CC1)N1CC[NH2+]CC1 ZINC000629586173 361475570 /nfs/dbraw/zinc/47/55/70/361475570.db2.gz MALXIVPTKBWLMJ-UHFFFAOYSA-N 1 3 237.391 1.158 20 0 BDADHO CC[C@H](C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594996 361482371 /nfs/dbraw/zinc/48/23/71/361482371.db2.gz LGKLCVJZZCRHPF-RWMBFGLXSA-N 1 3 210.365 1.964 20 0 BDADHO CC[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C ZINC000629611888 361501926 /nfs/dbraw/zinc/50/19/26/361501926.db2.gz JHJQMBCUOLTVKZ-RYUDHWBXSA-N 1 3 243.395 1.158 20 0 BDADHO CC(C)[C@H](O)C[N@H+](C)CCCN1CCCC1 ZINC000433195608 201168856 /nfs/dbraw/zinc/16/88/56/201168856.db2.gz WUGVVHSBBZLTKD-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO CC(C)[C@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC000433195608 201168859 /nfs/dbraw/zinc/16/88/59/201168859.db2.gz WUGVVHSBBZLTKD-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO Cn1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000629647233 361536582 /nfs/dbraw/zinc/53/65/82/361536582.db2.gz NONKBFWHJWHQJY-MJBXVCDLSA-N 1 3 233.359 1.584 20 0 BDADHO COC1(C[NH2+][C@@H](C)CCN)CCCC1 ZINC000629647639 361538167 /nfs/dbraw/zinc/53/81/67/361538167.db2.gz COVKRFVDHAVLSW-JTQLQIEISA-N 1 3 200.326 1.273 20 0 BDADHO Cn1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000629649225 361543587 /nfs/dbraw/zinc/54/35/87/361543587.db2.gz MMJAMDWEJKLXQR-HUUCEWRRSA-N 1 3 247.386 1.989 20 0 BDADHO COCc1ccc(CN[C@H]2CC[C@H](C[NH3+])C2)o1 ZINC000629649189 361543774 /nfs/dbraw/zinc/54/37/74/361543774.db2.gz LELHQCYIAUEIPD-QWRGUYRKSA-N 1 3 238.331 1.643 20 0 BDADHO C[C@H]1CCNC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649519 361544682 /nfs/dbraw/zinc/54/46/82/361544682.db2.gz UOFFSQTVQUCCJJ-JQWIXIFHSA-N 1 3 207.321 1.113 20 0 BDADHO Cn1ccc(CNCc2ccc(C[NH3+])cc2)c1 ZINC000629650594 361547719 /nfs/dbraw/zinc/54/77/19/361547719.db2.gz XPFGOANHUJNSNL-UHFFFAOYSA-N 1 3 229.327 1.774 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1cccs1 ZINC000629653549 361553136 /nfs/dbraw/zinc/55/31/36/361553136.db2.gz PSZDZFXFTKFEEI-UHFFFAOYSA-N 1 3 228.361 1.416 20 0 BDADHO Cn1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000629653841 361554836 /nfs/dbraw/zinc/55/48/36/361554836.db2.gz KTZDUZWSCAQWAZ-QWHCGFSZSA-N 1 3 221.348 1.632 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccn(C)c2)CC1 ZINC000629651828 361557318 /nfs/dbraw/zinc/55/73/18/361557318.db2.gz KZFWVWUDYRSMLY-UHFFFAOYSA-N 1 3 221.348 1.457 20 0 BDADHO [NH3+]C1CCC(NCc2cscn2)CC1 ZINC000051694535 181341379 /nfs/dbraw/zinc/34/13/79/181341379.db2.gz OHWFVCQEWOMAIS-UHFFFAOYSA-N 1 3 211.334 1.503 20 0 BDADHO CC[N@H+](C[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000435626577 201279293 /nfs/dbraw/zinc/27/92/93/201279293.db2.gz OXKBLVGRDNFVGX-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000435626577 201279296 /nfs/dbraw/zinc/27/92/96/201279296.db2.gz OXKBLVGRDNFVGX-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[NH2+]CCCN1CCNCc2ccccc21 ZINC000435876800 201293806 /nfs/dbraw/zinc/29/38/06/201293806.db2.gz ZXGMBIWOQYEXTP-UHFFFAOYSA-N 1 3 219.332 1.206 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CCOC[C@@H]2C)C[NH2+]1 ZINC000398994710 364666684 /nfs/dbraw/zinc/66/66/84/364666684.db2.gz NYJFYALVTUUGMT-USZNOCQGSA-N 1 3 212.337 1.142 20 0 BDADHO CSCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250957145 364692238 /nfs/dbraw/zinc/69/22/38/364692238.db2.gz SIMPFOVIOYIVMQ-QJPTWQEYSA-N 1 3 228.405 1.860 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)C1 ZINC000573696600 364896741 /nfs/dbraw/zinc/89/67/41/364896741.db2.gz KNZDFSMCYAABPQ-KSSYENDESA-N 1 3 224.348 1.413 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000169069954 365068262 /nfs/dbraw/zinc/06/82/62/365068262.db2.gz KJTKHHLAGNVZHT-KXUCPTDWSA-N 1 3 202.367 1.597 20 0 BDADHO CS[C@H](C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000169069954 365068268 /nfs/dbraw/zinc/06/82/68/365068268.db2.gz KJTKHHLAGNVZHT-KXUCPTDWSA-N 1 3 202.367 1.597 20 0 BDADHO O[C@@H]1CCCC[C@H]1CN1CCC2(CC[NH2+]2)CC1 ZINC000574643918 365110362 /nfs/dbraw/zinc/11/03/62/365110362.db2.gz CQXATUXQYCLENY-QWHCGFSZSA-N 1 3 238.375 1.365 20 0 BDADHO [NH3+]CC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000070914884 181409312 /nfs/dbraw/zinc/40/93/12/181409312.db2.gz GBODTJXZJSGCKT-SECBINFHSA-N 1 3 224.270 2.000 20 0 BDADHO C[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CCCCN1 ZINC000379829988 365286815 /nfs/dbraw/zinc/28/68/15/365286815.db2.gz XCWQOHSNZSBBRC-YPMHNXCESA-N 1 3 224.348 1.453 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000575924943 365416684 /nfs/dbraw/zinc/41/66/84/365416684.db2.gz ZVWXPTBVEGDUFQ-DMDPSCGWSA-N 1 3 249.358 1.319 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000576149150 365500096 /nfs/dbraw/zinc/50/00/96/365500096.db2.gz LWUHPYNFALRDBW-MNOVXSKESA-N 1 3 214.353 1.220 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@@H](NCC(C)(C)O)C1 ZINC000576149150 365500097 /nfs/dbraw/zinc/50/00/97/365500097.db2.gz LWUHPYNFALRDBW-MNOVXSKESA-N 1 3 214.353 1.220 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000579712053 366987619 /nfs/dbraw/zinc/98/76/19/366987619.db2.gz KIYHEJVNJRMTNN-UWVGGRQHSA-N 1 3 230.352 1.291 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C[C@H](C)N ZINC000579712053 366987625 /nfs/dbraw/zinc/98/76/25/366987625.db2.gz KIYHEJVNJRMTNN-UWVGGRQHSA-N 1 3 230.352 1.291 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000579712052 366988144 /nfs/dbraw/zinc/98/81/44/366988144.db2.gz KIYHEJVNJRMTNN-NXEZZACHSA-N 1 3 230.352 1.291 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@H](C)C[C@@H](C)N ZINC000579712052 366988150 /nfs/dbraw/zinc/98/81/50/366988150.db2.gz KIYHEJVNJRMTNN-NXEZZACHSA-N 1 3 230.352 1.291 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000580963634 367220627 /nfs/dbraw/zinc/22/06/27/367220627.db2.gz VDDQLHKLHWDXDE-QWHCGFSZSA-N 1 3 236.363 1.441 20 0 BDADHO N[C@@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844562 367187259 /nfs/dbraw/zinc/18/72/59/367187259.db2.gz RSOWQBTXNMBCQR-MCIONIFRSA-N 1 3 233.359 1.546 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCC1 ZINC000381292589 367375922 /nfs/dbraw/zinc/37/59/22/367375922.db2.gz DUPSALBPMCIRMT-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CCC1 ZINC000381292588 367376307 /nfs/dbraw/zinc/37/63/07/367376307.db2.gz DUPSALBPMCIRMT-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO COC[C@@H]([NH2+]CC[C@@H]1CCCN1C)C(C)C ZINC000381745158 367454352 /nfs/dbraw/zinc/45/43/52/367454352.db2.gz PWDVBEXTHIIRLC-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](NCC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000381745158 367454356 /nfs/dbraw/zinc/45/43/56/367454356.db2.gz PWDVBEXTHIIRLC-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](NCC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000381745158 367454362 /nfs/dbraw/zinc/45/43/62/367454362.db2.gz PWDVBEXTHIIRLC-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000382384083 367513559 /nfs/dbraw/zinc/51/35/59/367513559.db2.gz KWUKGRHOVGOBNB-HZSPNIEDSA-N 1 3 240.391 1.741 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC000382384083 367513562 /nfs/dbraw/zinc/51/35/62/367513562.db2.gz KWUKGRHOVGOBNB-HZSPNIEDSA-N 1 3 240.391 1.741 20 0 BDADHO CC(C)OCCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000383518723 367633549 /nfs/dbraw/zinc/63/35/49/367633549.db2.gz IIEREASEJREYSM-NEPJUHHUSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384861433 367746226 /nfs/dbraw/zinc/74/62/26/367746226.db2.gz DMGQNJMQGYZUIE-DDHJBXDOSA-N 1 3 214.353 1.482 20 0 BDADHO CCC(C)(C)[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000581878691 367865612 /nfs/dbraw/zinc/86/56/12/367865612.db2.gz BDAUSNZCGVFYFY-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000385956252 367889195 /nfs/dbraw/zinc/88/91/95/367889195.db2.gz DMIXETXWUMXWIN-FQUUOJAGSA-N 1 3 240.391 1.658 20 0 BDADHO CCN(CCN[C@@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000386012157 367896978 /nfs/dbraw/zinc/89/69/78/367896978.db2.gz MVKMNGJPNPTNDX-GXTWGEPZSA-N 1 3 239.407 1.591 20 0 BDADHO COCC(C)(C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386547550 367990323 /nfs/dbraw/zinc/99/03/23/367990323.db2.gz GDFMNZYNIAMNQU-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000386560241 367991923 /nfs/dbraw/zinc/99/19/23/367991923.db2.gz IXLINWAGASNMSG-FIQHERPVSA-N 1 3 246.420 1.219 20 0 BDADHO CCN(C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386575488 367994089 /nfs/dbraw/zinc/99/40/89/367994089.db2.gz NBHLPOKCNABZMG-RYUDHWBXSA-N 1 3 213.369 1.058 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352133 326036197 /nfs/dbraw/zinc/03/61/97/326036197.db2.gz XGEMUSPXBHNWGT-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352133 326036199 /nfs/dbraw/zinc/03/61/99/326036199.db2.gz XGEMUSPXBHNWGT-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C(C)C)CC1 ZINC000566352133 326036200 /nfs/dbraw/zinc/03/62/00/326036200.db2.gz XGEMUSPXBHNWGT-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@H](C)[C@H](C[NH3+])C2)O1 ZINC000253196854 368613127 /nfs/dbraw/zinc/61/31/27/368613127.db2.gz UDXGIRJMVKRDEN-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccncc2)C1 ZINC000086403270 368879667 /nfs/dbraw/zinc/87/96/67/368879667.db2.gz FASHEOPOSCJVCF-CHWSQXEVSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000086403270 368879674 /nfs/dbraw/zinc/87/96/74/368879674.db2.gz FASHEOPOSCJVCF-CHWSQXEVSA-N 1 3 219.332 1.484 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CCCCC2)C1 ZINC000086403687 368879853 /nfs/dbraw/zinc/87/98/53/368879853.db2.gz JBSXVYPGKVWMEN-CHWSQXEVSA-N 1 3 225.380 1.332 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOCC(F)(F)F)C1 ZINC000086404276 368881390 /nfs/dbraw/zinc/88/13/90/368881390.db2.gz FPUISHNPRBJANS-IUCAKERBSA-N 1 3 240.269 1.425 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000086874076 368886247 /nfs/dbraw/zinc/88/62/47/368886247.db2.gz LTIRHYOKNSVPJE-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000567343968 326167978 /nfs/dbraw/zinc/16/79/78/326167978.db2.gz JJZSUSUPUMKNFH-NWDGAFQWSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000631838189 369119825 /nfs/dbraw/zinc/11/98/25/369119825.db2.gz KHLFIITZNQJKLN-TZMCWYRMSA-N 1 3 247.386 1.779 20 0 BDADHO Cc1ccc(C)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107573142 369353905 /nfs/dbraw/zinc/35/39/05/369353905.db2.gz MYFXHJSYJWJEJK-HUUCEWRRSA-N 1 3 230.355 1.955 20 0 BDADHO CC[C@@H]1OCC[C@H]1[NH2+]CCCN(CC)CC ZINC000459766189 203361040 /nfs/dbraw/zinc/36/10/40/203361040.db2.gz DCEVJDVDDMOPAE-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO c1cncc(CC[N@@H+]2CCC[C@H]3CNCC[C@H]32)c1 ZINC000631891035 371105362 /nfs/dbraw/zinc/10/53/62/371105362.db2.gz XLUCLDJSTFASCY-LSDHHAIUSA-N 1 3 245.370 1.698 20 0 BDADHO c1cncc(CC[N@H+]2CCC[C@H]3CNCC[C@H]32)c1 ZINC000631891035 371105366 /nfs/dbraw/zinc/10/53/66/371105366.db2.gz XLUCLDJSTFASCY-LSDHHAIUSA-N 1 3 245.370 1.698 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120861 371321280 /nfs/dbraw/zinc/32/12/80/371321280.db2.gz IPKOKXPOZCRXMI-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120861 371321283 /nfs/dbraw/zinc/32/12/83/371321283.db2.gz IPKOKXPOZCRXMI-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCOC2)C1 ZINC000624120631 371321872 /nfs/dbraw/zinc/32/18/72/371321872.db2.gz CYLSHPRAOFKQFR-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCOC2)C1 ZINC000624120631 371321877 /nfs/dbraw/zinc/32/18/77/371321877.db2.gz CYLSHPRAOFKQFR-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@@H]1C[N@H+](CC(C)(C)N)CC[C@@H]1C ZINC000230310985 371888763 /nfs/dbraw/zinc/88/87/63/371888763.db2.gz QDZUJMFRRGTMMC-VHSXEESVSA-N 1 3 200.326 1.081 20 0 BDADHO CO[C@@H]1C[N@@H+](CC(C)(C)N)CC[C@@H]1C ZINC000230310985 371888771 /nfs/dbraw/zinc/88/87/71/371888771.db2.gz QDZUJMFRRGTMMC-VHSXEESVSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@@](C[NH3+])(NC[C@@H]1CCCCO1)C1CC1 ZINC000631823154 372600239 /nfs/dbraw/zinc/60/02/39/372600239.db2.gz XKTFYJCXFZYACF-RYUDHWBXSA-N 1 3 212.337 1.273 20 0 BDADHO NC1(C[NH2+]Cc2cccc3c2CCOC3)CCC1 ZINC000631824157 372602228 /nfs/dbraw/zinc/60/22/28/372602228.db2.gz XSCGMKDKMMLIDK-UHFFFAOYSA-N 1 3 246.354 1.730 20 0 BDADHO C[C@H]1OCC[C@@H]1CN(C)C1CC[NH2+]CC1 ZINC000631821112 372595584 /nfs/dbraw/zinc/59/55/84/372595584.db2.gz PGQVHRMIVMVSBS-GHMZBOCLSA-N 1 3 212.337 1.095 20 0 BDADHO C[NH2+]CC1CCN(Cc2nccnc2C)CC1 ZINC000631821739 372597057 /nfs/dbraw/zinc/59/70/57/372597057.db2.gz HVUJJGACSFTKOH-UHFFFAOYSA-N 1 3 234.347 1.216 20 0 BDADHO C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1CN ZINC000631836889 372625406 /nfs/dbraw/zinc/62/54/06/372625406.db2.gz IPJVBNVXVQCSHA-TZMCWYRMSA-N 1 3 218.344 1.756 20 0 BDADHO C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1CN ZINC000631836889 372625410 /nfs/dbraw/zinc/62/54/10/372625410.db2.gz IPJVBNVXVQCSHA-TZMCWYRMSA-N 1 3 218.344 1.756 20 0 BDADHO C[C@@H]1CN(CCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836889 372625414 /nfs/dbraw/zinc/62/54/14/372625414.db2.gz IPJVBNVXVQCSHA-TZMCWYRMSA-N 1 3 218.344 1.756 20 0 BDADHO C[C@H]1C[N@H+](CCCc2ccncc2)C[C@H]1CN ZINC000631837969 372628705 /nfs/dbraw/zinc/62/87/05/372628705.db2.gz HXFPEZKJRWTNGH-GXTWGEPZSA-N 1 3 233.359 1.541 20 0 BDADHO C[C@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1CN ZINC000631837969 372628710 /nfs/dbraw/zinc/62/87/10/372628710.db2.gz HXFPEZKJRWTNGH-GXTWGEPZSA-N 1 3 233.359 1.541 20 0 BDADHO COCCCCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631841181 372638469 /nfs/dbraw/zinc/63/84/69/372638469.db2.gz ZIAJAUWVGWSEIP-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631841181 372638471 /nfs/dbraw/zinc/63/84/71/372638471.db2.gz ZIAJAUWVGWSEIP-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO CCCCOCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842241 372641296 /nfs/dbraw/zinc/64/12/96/372641296.db2.gz XKSLLMTXYADUND-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO Cc1nccn1CCCN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867502 372669697 /nfs/dbraw/zinc/66/96/97/372669697.db2.gz BUEHFAINOMWIIH-KGLIPLIRSA-N 1 3 248.374 1.313 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNCC2)CCO1 ZINC000414907941 205781915 /nfs/dbraw/zinc/78/19/15/205781915.db2.gz CBSTZZAREYVBND-RDBSUJKOSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1n[nH]cc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459735852 206014181 /nfs/dbraw/zinc/01/41/81/206014181.db2.gz PVUZFGKCWNAEMY-GFCCVEGCSA-N 1 3 236.363 1.540 20 0 BDADHO Cc1n[nH]cc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459735852 206014187 /nfs/dbraw/zinc/01/41/87/206014187.db2.gz PVUZFGKCWNAEMY-GFCCVEGCSA-N 1 3 236.363 1.540 20 0 BDADHO OC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000124701094 183029759 /nfs/dbraw/zinc/02/97/59/183029759.db2.gz RIEWSGCEPYJZJY-UHFFFAOYSA-N 1 3 226.364 1.319 20 0 BDADHO OC[C@H](Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000129246998 183138053 /nfs/dbraw/zinc/13/80/53/183138053.db2.gz VXKZSECDCCJHMP-CABCVRRESA-N 1 3 248.370 1.322 20 0 BDADHO OC[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000129247468 183138295 /nfs/dbraw/zinc/13/82/95/183138295.db2.gz VXKZSECDCCJHMP-GJZGRUSLSA-N 1 3 248.370 1.322 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](O)CC)C1 ZINC000304707766 169079472 /nfs/dbraw/zinc/07/94/72/169079472.db2.gz LCOZQQKEEJOERJ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CC)C1 ZINC000304707766 169079474 /nfs/dbraw/zinc/07/94/74/169079474.db2.gz LCOZQQKEEJOERJ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO O[C@H](CN[C@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533449 183225471 /nfs/dbraw/zinc/22/54/71/183225471.db2.gz WJJCQCQQUROCLI-OLZOCXBDSA-N 1 3 238.375 1.365 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000226407528 169121549 /nfs/dbraw/zinc/12/15/49/169121549.db2.gz WDAMHGFTYJUXKB-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000226407528 169121552 /nfs/dbraw/zinc/12/15/52/169121552.db2.gz WDAMHGFTYJUXKB-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000361967422 169123357 /nfs/dbraw/zinc/12/33/57/169123357.db2.gz UCSIHKNYUFXXSP-KGLIPLIRSA-N 1 3 241.423 1.648 20 0 BDADHO CCC[N@H+](CCOCCOC)C1CCNCC1 ZINC000070481614 169169253 /nfs/dbraw/zinc/16/92/53/169169253.db2.gz LGLHMFHCYDTJQJ-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO CCC[N@@H+](CCOCCOC)C1CCNCC1 ZINC000070481614 169169254 /nfs/dbraw/zinc/16/92/54/169169254.db2.gz LGLHMFHCYDTJQJ-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO CCCN(CCOCCOC)C1CC[NH2+]CC1 ZINC000070481614 169169257 /nfs/dbraw/zinc/16/92/57/169169257.db2.gz LGLHMFHCYDTJQJ-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO c1n[nH]c2c1CCC[C@@H]2N[C@@H]1CCC[NH2+]CC1 ZINC000333234857 183320707 /nfs/dbraw/zinc/32/07/07/183320707.db2.gz CVHAWEYMLGWHQH-NEPJUHHUSA-N 1 3 234.347 1.519 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000340205448 169206573 /nfs/dbraw/zinc/20/65/73/169206573.db2.gz XLRPLHCBTBMFGD-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCOC2(C)C)C1 ZINC000340205448 169206574 /nfs/dbraw/zinc/20/65/74/169206574.db2.gz XLRPLHCBTBMFGD-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCOC2(C)C)C1 ZINC000340205448 169206576 /nfs/dbraw/zinc/20/65/76/169206576.db2.gz XLRPLHCBTBMFGD-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000309983327 169207238 /nfs/dbraw/zinc/20/72/38/169207238.db2.gz XFXGAFFTVMEECU-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC2CC(OC)C2)C1 ZINC000309983327 169207239 /nfs/dbraw/zinc/20/72/39/169207239.db2.gz XFXGAFFTVMEECU-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC2CC(OC)C2)C1 ZINC000309983327 169207240 /nfs/dbraw/zinc/20/72/40/169207240.db2.gz XFXGAFFTVMEECU-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO CCCNCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000053388053 169260384 /nfs/dbraw/zinc/26/03/84/169260384.db2.gz CPFHRYKXPXLIIB-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO CCCN[C@@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000296576023 169274271 /nfs/dbraw/zinc/27/42/71/169274271.db2.gz WNDKJXMIYLMHFF-NSHDSACASA-N 1 3 249.358 1.733 20 0 BDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCN(C)CC ZINC000353758970 169399110 /nfs/dbraw/zinc/39/91/10/169399110.db2.gz LNQKYJILVJXPLS-GFCCVEGCSA-N 1 3 243.395 1.221 20 0 BDADHO CC(C)OCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000224989424 134352168 /nfs/dbraw/zinc/35/21/68/134352168.db2.gz XNZGBETVCPVEQX-OLZOCXBDSA-N 1 3 228.380 1.909 20 0 BDADHO OCCCCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000226438332 134363365 /nfs/dbraw/zinc/36/33/65/134363365.db2.gz HOSGWTUCEJCJIF-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO OCCCC[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000226438332 134363366 /nfs/dbraw/zinc/36/33/66/134363366.db2.gz HOSGWTUCEJCJIF-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO OCCCC[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000226438332 134363367 /nfs/dbraw/zinc/36/33/67/134363367.db2.gz HOSGWTUCEJCJIF-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000301010909 383843143 /nfs/dbraw/zinc/84/31/43/383843143.db2.gz XPLAAMRJRCCAAI-MNOVXSKESA-N 1 3 232.318 1.963 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546760 384016878 /nfs/dbraw/zinc/01/68/78/384016878.db2.gz UNQZLSVPRYLOEF-UPJWGTAASA-N 1 3 237.391 1.201 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C(C)C ZINC000643546642 384018267 /nfs/dbraw/zinc/01/82/67/384018267.db2.gz SJRPAXLHLZAFPP-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)C(C)C ZINC000643546642 384018276 /nfs/dbraw/zinc/01/82/76/384018276.db2.gz SJRPAXLHLZAFPP-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO CCN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363656161 384025393 /nfs/dbraw/zinc/02/53/93/384025393.db2.gz JJYGOIXHYLDRCU-UHFFFAOYSA-N 1 3 226.364 1.582 20 0 BDADHO COCC1(NC[C@H]([NH3+])CC(C)C)CCCC1 ZINC000569473379 384098701 /nfs/dbraw/zinc/09/87/01/384098701.db2.gz YIBBKKDYXCOAKN-GFCCVEGCSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCOc2ccccc2)C1 ZINC000163205949 384164636 /nfs/dbraw/zinc/16/46/36/384164636.db2.gz UWJSIAYIXWCVSO-OLZOCXBDSA-N 1 3 234.343 1.735 20 0 BDADHO c1nc(CNCC[C@@H]2CCC[NH2+]C2)cs1 ZINC000082626957 384249756 /nfs/dbraw/zinc/24/97/56/384249756.db2.gz JVCBGPQUGYDYHY-JTQLQIEISA-N 1 3 225.361 1.622 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2CO[C@@H](C)C2)[C@H](C)C1 ZINC000566216248 384253752 /nfs/dbraw/zinc/25/37/52/384253752.db2.gz XDIOLUBRNQEHKK-VOAKCMCISA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2CO[C@@H](C)C2)[C@H](C)C1 ZINC000566216248 384253757 /nfs/dbraw/zinc/25/37/57/384253757.db2.gz XDIOLUBRNQEHKK-VOAKCMCISA-N 1 3 226.364 1.484 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000569576192 384281257 /nfs/dbraw/zinc/28/12/57/384281257.db2.gz HEPANHSUIQTIKX-SNVBAGLBSA-N 1 3 247.342 1.126 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236261095 384299992 /nfs/dbraw/zinc/29/99/92/384299992.db2.gz BOEFZLJFFKRPEG-STQMWFEESA-N 1 3 226.364 1.520 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOCC1CC1 ZINC000236261095 384300000 /nfs/dbraw/zinc/30/00/00/384300000.db2.gz BOEFZLJFFKRPEG-STQMWFEESA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC000560870877 384390544 /nfs/dbraw/zinc/39/05/44/384390544.db2.gz RIFHEQDDPNSFFA-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](O)CNCCC[NH+]1CCC(C)CC1 ZINC000560870877 384390552 /nfs/dbraw/zinc/39/05/52/384390552.db2.gz RIFHEQDDPNSFFA-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)OC)[C@H](C)C1 ZINC000175729577 384483716 /nfs/dbraw/zinc/48/37/16/384483716.db2.gz JUFHUZQYTQMTHF-NEPJUHHUSA-N 1 3 242.363 1.212 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)OC)[C@H](C)C1 ZINC000175729577 384483721 /nfs/dbraw/zinc/48/37/21/384483721.db2.gz JUFHUZQYTQMTHF-NEPJUHHUSA-N 1 3 242.363 1.212 20 0 BDADHO C[C@H]([NH2+]CCN)c1ccc2c(c1)OCO2 ZINC000037712419 384512267 /nfs/dbraw/zinc/51/22/67/384512267.db2.gz PDAMJOOGLFJCET-QMMMGPOBSA-N 1 3 208.261 1.025 20 0 BDADHO COC(=O)[C@@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000141313254 384554672 /nfs/dbraw/zinc/55/46/72/384554672.db2.gz KBJSCEJLQUGMHA-LBPRGKRZSA-N 1 3 240.347 1.014 20 0 BDADHO CC(C)(C)CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000300766377 384538875 /nfs/dbraw/zinc/53/88/75/384538875.db2.gz DXJQXGREESKDBH-VXGBXAGGSA-N 1 3 210.365 1.964 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000172166452 384540604 /nfs/dbraw/zinc/54/06/04/384540604.db2.gz CAAOYKMJSAAWCH-CQSZACIVSA-N 1 3 233.359 1.508 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000172166452 384540617 /nfs/dbraw/zinc/54/06/17/384540617.db2.gz CAAOYKMJSAAWCH-CQSZACIVSA-N 1 3 233.359 1.508 20 0 BDADHO CCOC(=O)CCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173525664 384690144 /nfs/dbraw/zinc/69/01/44/384690144.db2.gz QLYVITMIJBGUAO-VXGBXAGGSA-N 1 3 242.363 1.354 20 0 BDADHO CCOC(=O)CCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173525664 384690148 /nfs/dbraw/zinc/69/01/48/384690148.db2.gz QLYVITMIJBGUAO-VXGBXAGGSA-N 1 3 242.363 1.354 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449094431 384722852 /nfs/dbraw/zinc/72/28/52/384722852.db2.gz RXROJPXUDDMRNB-IGQOVBAYSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449094431 384722863 /nfs/dbraw/zinc/72/28/63/384722863.db2.gz RXROJPXUDDMRNB-IGQOVBAYSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000449094431 384722869 /nfs/dbraw/zinc/72/28/69/384722869.db2.gz RXROJPXUDDMRNB-IGQOVBAYSA-N 1 3 240.391 1.874 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000156125530 384815784 /nfs/dbraw/zinc/81/57/84/384815784.db2.gz HXGPRGUKLQDBHS-VXGBXAGGSA-N 1 3 213.369 1.010 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)O1 ZINC000398082006 384796307 /nfs/dbraw/zinc/79/63/07/384796307.db2.gz KIGAVIPITPKULS-FDYHWXHSSA-N 1 3 226.364 1.661 20 0 BDADHO CN(CCCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375792426 384812390 /nfs/dbraw/zinc/81/23/90/384812390.db2.gz QBUDXIAGPJUYEP-FUNVUKJBSA-N 1 3 226.364 1.316 20 0 BDADHO CN(CCCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375792426 384812393 /nfs/dbraw/zinc/81/23/93/384812393.db2.gz QBUDXIAGPJUYEP-FUNVUKJBSA-N 1 3 226.364 1.316 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[C@@H]1C1CC1 ZINC000423363680 384843359 /nfs/dbraw/zinc/84/33/59/384843359.db2.gz UVWDXGNQIWFQFI-UPJWGTAASA-N 1 3 208.349 1.907 20 0 BDADHO CCC[NH+](CCC)CCCN[C@H](C)[C@H](C)O ZINC000644543965 384955302 /nfs/dbraw/zinc/95/53/02/384955302.db2.gz DSLJGZZMQDYFPS-OLZOCXBDSA-N 1 3 230.396 1.857 20 0 BDADHO C[C@@H]1[C@H](C(=O)Nc2cccc(CN)c2)CC[N@@H+]1C ZINC000647607191 384927668 /nfs/dbraw/zinc/92/76/68/384927668.db2.gz BGRSCAMPSCIEJO-ZWNOBZJWSA-N 1 3 247.342 1.424 20 0 BDADHO C[C@@H]1[C@H](C(=O)Nc2cccc(CN)c2)CC[N@H+]1C ZINC000647607191 384927678 /nfs/dbraw/zinc/92/76/78/384927678.db2.gz BGRSCAMPSCIEJO-ZWNOBZJWSA-N 1 3 247.342 1.424 20 0 BDADHO C[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000644525460 384937398 /nfs/dbraw/zinc/93/73/98/384937398.db2.gz MHSBWPPNFQSSTB-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](O)CNC[C@@H](C)C[NH+]1CCCCC1 ZINC000644525460 384937405 /nfs/dbraw/zinc/93/74/05/384937405.db2.gz MHSBWPPNFQSSTB-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO Cc1nc(CCN[C@@H]2CCC[C@H]2C[NH3+])cs1 ZINC000226324260 384979558 /nfs/dbraw/zinc/97/95/58/384979558.db2.gz GSEMUAPLLRXNKS-CMPLNLGQSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1nc(CC[NH2+][C@@H]2CCC[C@H]2CN)cs1 ZINC000226324260 384979564 /nfs/dbraw/zinc/97/95/64/384979564.db2.gz GSEMUAPLLRXNKS-CMPLNLGQSA-N 1 3 239.388 1.711 20 0 BDADHO CSC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249487515 384990417 /nfs/dbraw/zinc/99/04/17/384990417.db2.gz XKZRZIXKOGZODC-SDDRHHMPSA-N 1 3 246.420 1.125 20 0 BDADHO CSC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249487515 384990423 /nfs/dbraw/zinc/99/04/23/384990423.db2.gz XKZRZIXKOGZODC-SDDRHHMPSA-N 1 3 246.420 1.125 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256446 385004625 /nfs/dbraw/zinc/00/46/25/385004625.db2.gz GGWUZEJPPSUIQH-QWHCGFSZSA-N 1 3 221.348 1.977 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398178 385008867 /nfs/dbraw/zinc/00/88/67/385008867.db2.gz LPCNMDHMVCPNIL-CYBMUJFWSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398178 385008874 /nfs/dbraw/zinc/00/88/74/385008874.db2.gz LPCNMDHMVCPNIL-CYBMUJFWSA-N 1 3 241.379 1.104 20 0 BDADHO COc1ccc(CCN[C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000404803003 385076778 /nfs/dbraw/zinc/07/67/78/385076778.db2.gz WELZOJUWURKQOH-KBPBESRZSA-N 1 3 248.370 1.953 20 0 BDADHO C(CNC1CC1)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423552366 385027743 /nfs/dbraw/zinc/02/77/43/385027743.db2.gz JSQRDBIZBGAGNW-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO C(CNC1CC1)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000423552371 385028145 /nfs/dbraw/zinc/02/81/45/385028145.db2.gz JSQRDBIZBGAGNW-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](NCC1CC[NH2+]CC1)c1ccco1 ZINC000086700505 385039067 /nfs/dbraw/zinc/03/90/67/385039067.db2.gz QMSHOABGYBFYSW-SNVBAGLBSA-N 1 3 208.305 1.930 20 0 BDADHO C[C@@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000644631954 385044241 /nfs/dbraw/zinc/04/42/41/385044241.db2.gz HZHVRYNRCDWVFE-LLVKDONJSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000644631954 385044249 /nfs/dbraw/zinc/04/42/49/385044249.db2.gz HZHVRYNRCDWVFE-LLVKDONJSA-N 1 3 214.353 1.079 20 0 BDADHO CN(CCOC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000566246086 385130300 /nfs/dbraw/zinc/13/03/00/385130300.db2.gz DIUBPJPHZONGGM-LBPRGKRZSA-N 1 3 244.379 1.099 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H]1N ZINC000422721406 385201595 /nfs/dbraw/zinc/20/15/95/385201595.db2.gz VHVQBAKZFMANTR-SRVKXCTJSA-N 1 3 213.369 1.186 20 0 BDADHO Cc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310827660 385182956 /nfs/dbraw/zinc/18/29/56/385182956.db2.gz IMBQTZZBQJGDLV-GASCZTMLSA-N 1 3 245.370 1.821 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@]1(C)CCCO1 ZINC000227470109 385148218 /nfs/dbraw/zinc/14/82/18/385148218.db2.gz JGGKUTSNUJVREX-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO CCC[NH+]1CCC(NCC[C@@H](O)CC)CC1 ZINC000157364329 385150056 /nfs/dbraw/zinc/15/00/56/385150056.db2.gz ZQNBGOLXKIYLRF-ZDUSSCGKSA-N 1 3 228.380 1.611 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)c1ccc(CN(C)C)cc1 ZINC000647069310 385215301 /nfs/dbraw/zinc/21/53/01/385215301.db2.gz NYXLFYSIXYBZGC-CYBMUJFWSA-N 1 3 249.358 1.215 20 0 BDADHO CCc1ccc(CCN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422758991 385251749 /nfs/dbraw/zinc/25/17/49/385251749.db2.gz OQFYCFRHKMWQBR-GFCCVEGCSA-N 1 3 232.371 1.989 20 0 BDADHO CCc1ccc(CC[NH2+][C@H](C)C2CNC2)cc1 ZINC000422758991 385251754 /nfs/dbraw/zinc/25/17/54/385251754.db2.gz OQFYCFRHKMWQBR-GFCCVEGCSA-N 1 3 232.371 1.989 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220690554 385264198 /nfs/dbraw/zinc/26/41/98/385264198.db2.gz DHNAFYYILJJUMF-KOLCDFICSA-N 1 3 214.378 1.599 20 0 BDADHO CCN(CC)CCC[N@H+](CC)CCCO ZINC000196210177 385274658 /nfs/dbraw/zinc/27/46/58/385274658.db2.gz VICGCWKTHQTUMP-UHFFFAOYSA-N 1 3 216.369 1.423 20 0 BDADHO CCN(CC)CCC[N@@H+](CC)CCCO ZINC000196210177 385274659 /nfs/dbraw/zinc/27/46/59/385274659.db2.gz VICGCWKTHQTUMP-UHFFFAOYSA-N 1 3 216.369 1.423 20 0 BDADHO C[C@@H](CN)C[NH2+]C1Cc2ccccc2C1 ZINC000308977343 385329631 /nfs/dbraw/zinc/32/96/31/385329631.db2.gz IYJZHKJPPXRDPT-JTQLQIEISA-N 1 3 204.317 1.338 20 0 BDADHO C[C@@H](C[NH3+])CNC1Cc2ccccc2C1 ZINC000308977343 385329638 /nfs/dbraw/zinc/32/96/38/385329638.db2.gz IYJZHKJPPXRDPT-JTQLQIEISA-N 1 3 204.317 1.338 20 0 BDADHO CN(CCC[NH3+])C(=O)[C@H](N)CC1CCCCC1 ZINC000644066959 385414830 /nfs/dbraw/zinc/41/48/30/385414830.db2.gz YFRMSBFSUXOLTH-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO CCCCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000309130613 385430806 /nfs/dbraw/zinc/43/08/06/385430806.db2.gz XSZNQKJCHDHKJU-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO CCCCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000309130613 385430811 /nfs/dbraw/zinc/43/08/11/385430811.db2.gz XSZNQKJCHDHKJU-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208356 385480849 /nfs/dbraw/zinc/48/08/49/385480849.db2.gz BKPLUFQNOFNRMJ-WCQYABFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208356 385480854 /nfs/dbraw/zinc/48/08/54/385480854.db2.gz BKPLUFQNOFNRMJ-WCQYABFASA-N 1 3 226.364 1.173 20 0 BDADHO CN(CC[NH3+])c1ccnc2ccccc21 ZINC000053663692 385461467 /nfs/dbraw/zinc/46/14/67/385461467.db2.gz QFHINLYTUODGQC-UHFFFAOYSA-N 1 3 201.273 1.630 20 0 BDADHO CC1(C)CN[C@@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000644116223 385495733 /nfs/dbraw/zinc/49/57/33/385495733.db2.gz WCRXBIZTDYPWFM-LLVKDONJSA-N 1 3 233.315 1.082 20 0 BDADHO FCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336680076 385625934 /nfs/dbraw/zinc/62/59/34/385625934.db2.gz IUDCCRMJPNSTKJ-VXGBXAGGSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336680076 385625938 /nfs/dbraw/zinc/62/59/38/385625938.db2.gz IUDCCRMJPNSTKJ-VXGBXAGGSA-N 1 3 214.328 1.953 20 0 BDADHO FCCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000336680076 385625942 /nfs/dbraw/zinc/62/59/42/385625942.db2.gz IUDCCRMJPNSTKJ-VXGBXAGGSA-N 1 3 214.328 1.953 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCCCCF)C1 ZINC000336681966 385636798 /nfs/dbraw/zinc/63/67/98/385636798.db2.gz HYFSCKLIHKJPIC-MNOVXSKESA-N 1 3 202.317 1.795 20 0 BDADHO CC(C)[C@H](CCO)[NH2+]CC[C@H]1CCCN1C ZINC000336677711 385611827 /nfs/dbraw/zinc/61/18/27/385611827.db2.gz QGYAWMPBCJDWMX-OLZOCXBDSA-N 1 3 228.380 1.467 20 0 BDADHO c1n[nH]cc1CNCCCCC[NH+]1CCCC1 ZINC000645198560 385612985 /nfs/dbraw/zinc/61/29/85/385612985.db2.gz UIFOIQKIFRUKLS-UHFFFAOYSA-N 1 3 236.363 1.765 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCCCF)C1 ZINC000336681965 385636131 /nfs/dbraw/zinc/63/61/31/385636131.db2.gz HYFSCKLIHKJPIC-GHMZBOCLSA-N 1 3 202.317 1.795 20 0 BDADHO C[NH2+]C[C@@H](C)CNCCC(C)(C)C(=O)OC ZINC000414855079 385698906 /nfs/dbraw/zinc/69/89/06/385698906.db2.gz WCFFQTRMCHRVDE-SNVBAGLBSA-N 1 3 230.352 1.021 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCOC1 ZINC000309580874 385713471 /nfs/dbraw/zinc/71/34/71/385713471.db2.gz QIGUBWUTYQDRQN-WCQYABFASA-N 1 3 224.348 1.263 20 0 BDADHO CNCCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000414858795 385737152 /nfs/dbraw/zinc/73/71/52/385737152.db2.gz LLSXQIKWVPYPHY-QMMMGPOBSA-N 1 3 212.259 1.917 20 0 BDADHO CCCC[C@H](COC)NC[C@H]1CCC[NH2+]C1 ZINC000414860879 385742672 /nfs/dbraw/zinc/74/26/72/385742672.db2.gz WCPICYDQPSNBER-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CCCC[C@H](COC)[NH2+]C[C@H]1CCCNC1 ZINC000414860879 385742676 /nfs/dbraw/zinc/74/26/76/385742676.db2.gz WCPICYDQPSNBER-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414948159 385807447 /nfs/dbraw/zinc/80/74/47/385807447.db2.gz XUMPLQKEQJNHIP-OUCADQQQSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCN[C@H](C)C2)CCO1 ZINC000414954462 385836914 /nfs/dbraw/zinc/83/69/14/385836914.db2.gz SOCSITFHXMAWHB-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC[C@H]1CC[C@@H](C)O1 ZINC000308989641 385927261 /nfs/dbraw/zinc/92/72/61/385927261.db2.gz VOBYBMCPNLDTED-IJLUTSLNSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1cnn(CC[N@H+](C2CC2)C2CCNCC2)c1 ZINC000647815162 385869506 /nfs/dbraw/zinc/86/95/06/385869506.db2.gz RQJXQOPIQYJJGW-UHFFFAOYSA-N 1 3 248.374 1.408 20 0 BDADHO Cc1cnn(CC[N@@H+](C2CC2)C2CCNCC2)c1 ZINC000647815162 385869509 /nfs/dbraw/zinc/86/95/09/385869509.db2.gz RQJXQOPIQYJJGW-UHFFFAOYSA-N 1 3 248.374 1.408 20 0 BDADHO CC[NH2+][C@H](C)CNC[C@H]1CCSC1 ZINC000414959100 385872368 /nfs/dbraw/zinc/87/23/68/385872368.db2.gz PMTJBIZWGSPMGR-NXEZZACHSA-N 1 3 202.367 1.327 20 0 BDADHO C1CC1[C@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000414881379 385990869 /nfs/dbraw/zinc/99/08/69/385990869.db2.gz KYOBMOLBSDIICD-AVGNSLFASA-N 1 3 208.349 1.907 20 0 BDADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC2)C1 ZINC000414881382 385992255 /nfs/dbraw/zinc/99/22/55/385992255.db2.gz KYOBMOLBSDIICD-FRRDWIJNSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1ccc(F)cc1CNC[C@@H](C)C[NH3+] ZINC000414878177 385932973 /nfs/dbraw/zinc/93/29/73/385932973.db2.gz NZROJUGTCTYGFQ-VIFPVBQESA-N 1 3 210.296 1.819 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000335046044 385942403 /nfs/dbraw/zinc/94/24/03/385942403.db2.gz ZAQOGDXGMXGGFY-STQMWFEESA-N 1 3 240.391 1.659 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000338291486 385945610 /nfs/dbraw/zinc/94/56/10/385945610.db2.gz XUFIVSJLSFOODE-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000338291486 385945616 /nfs/dbraw/zinc/94/56/16/385945616.db2.gz XUFIVSJLSFOODE-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc2ncccc2c1 ZINC000414879484 385952254 /nfs/dbraw/zinc/95/22/54/385952254.db2.gz PNEVQIVITGXXIT-NSHDSACASA-N 1 3 229.327 1.919 20 0 BDADHO Cc1nn(C)cc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000128258841 385967221 /nfs/dbraw/zinc/96/72/21/385967221.db2.gz JYCVTVSQGIAMRJ-LBPRGKRZSA-N 1 3 236.363 1.289 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)CC[NH3+])c1 ZINC000295572060 386052644 /nfs/dbraw/zinc/05/26/44/386052644.db2.gz DCHDSYSTPVYMMK-UHFFFAOYSA-N 1 3 235.331 1.344 20 0 BDADHO Cc1ccc(CN(C)CCOCC[NH3+])c(C)c1 ZINC000647873381 386119791 /nfs/dbraw/zinc/11/97/91/386119791.db2.gz CGPSPMGKPRYCAN-UHFFFAOYSA-N 1 3 236.359 1.711 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000365384065 386071866 /nfs/dbraw/zinc/07/18/66/386071866.db2.gz JNAJBRNAHHZNOH-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+]CC1(CNCc2ccc3c(c2)CCCN3)CC1 ZINC000414983340 386078579 /nfs/dbraw/zinc/07/85/79/386078579.db2.gz TUEMEJGKJRUTSB-UHFFFAOYSA-N 1 3 245.370 1.873 20 0 BDADHO NCC1(C[NH2+]Cc2ccc3c(c2)CCCN3)CC1 ZINC000414983340 386078584 /nfs/dbraw/zinc/07/85/84/386078584.db2.gz TUEMEJGKJRUTSB-UHFFFAOYSA-N 1 3 245.370 1.873 20 0 BDADHO C[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)CN ZINC000414887140 386083444 /nfs/dbraw/zinc/08/34/44/386083444.db2.gz YUJUUSVRYAGYHU-JGVFFNPUSA-N 1 3 212.259 1.902 20 0 BDADHO Cc1c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cnn1C ZINC000130598059 386177641 /nfs/dbraw/zinc/17/76/41/386177641.db2.gz JTXDQJSPTCCSSA-YUTCNCBUSA-N 1 3 248.374 1.288 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000225694769 386213609 /nfs/dbraw/zinc/21/36/09/386213609.db2.gz BYLKVGZRLDYSCQ-STQMWFEESA-N 1 3 228.380 1.589 20 0 BDADHO CCC[C@](C)(CO)NC[C@@H]([NH3+])CC(C)C ZINC000414713201 386230916 /nfs/dbraw/zinc/23/09/16/386230916.db2.gz TYFVYYPLPMWDJU-NWDGAFQWSA-N 1 3 216.369 1.501 20 0 BDADHO CC[C@@](C)(CCO)NC[C@@H]([NH3+])CC(C)C ZINC000414713858 386234804 /nfs/dbraw/zinc/23/48/04/386234804.db2.gz URYJMQRIXBKVSB-RYUDHWBXSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415001962 386239403 /nfs/dbraw/zinc/23/94/03/386239403.db2.gz DAXREGGQXVGSPR-NEPJUHHUSA-N 1 3 244.342 1.698 20 0 BDADHO COC(=O)CC[N@H+](C[C@H](N)CC(C)C)C(C)C ZINC000414695754 386197171 /nfs/dbraw/zinc/19/71/71/386197171.db2.gz OTSNMTBELPZQPE-GFCCVEGCSA-N 1 3 244.379 1.633 20 0 BDADHO COC(=O)CC[N@@H+](C[C@H](N)CC(C)C)C(C)C ZINC000414695754 386197173 /nfs/dbraw/zinc/19/71/73/386197173.db2.gz OTSNMTBELPZQPE-GFCCVEGCSA-N 1 3 244.379 1.633 20 0 BDADHO C[C@@]1(c2ccccc2)CC[N@H+](CCCN)C1 ZINC000414731282 386286105 /nfs/dbraw/zinc/28/61/05/386286105.db2.gz AJTRZBFIOZPIDK-CQSZACIVSA-N 1 3 218.344 1.999 20 0 BDADHO C[C@@]1(c2ccccc2)CC[N@@H+](CCCN)C1 ZINC000414731282 386286106 /nfs/dbraw/zinc/28/61/06/386286106.db2.gz AJTRZBFIOZPIDK-CQSZACIVSA-N 1 3 218.344 1.999 20 0 BDADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CN ZINC000236654786 386297704 /nfs/dbraw/zinc/29/77/04/386297704.db2.gz LXXWYWFEVRIYHA-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CN ZINC000236654786 386297710 /nfs/dbraw/zinc/29/77/10/386297710.db2.gz LXXWYWFEVRIYHA-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414733954 386299057 /nfs/dbraw/zinc/29/90/57/386299057.db2.gz FJQZGHOELFOTIR-IHRRRGAJSA-N 1 3 241.423 1.774 20 0 BDADHO FCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308452455 386304880 /nfs/dbraw/zinc/30/48/80/386304880.db2.gz CRYZBEVTHKMDRK-GHMZBOCLSA-N 1 3 200.301 1.277 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC2(O)CCC2)C1 ZINC000336671334 386317820 /nfs/dbraw/zinc/31/78/20/386317820.db2.gz JLRXLBUXVQSVJB-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC2(O)CCC2)C1 ZINC000336671334 386317827 /nfs/dbraw/zinc/31/78/27/386317827.db2.gz JLRXLBUXVQSVJB-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000336671334 386317832 /nfs/dbraw/zinc/31/78/32/386317832.db2.gz JLRXLBUXVQSVJB-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(O)CCC2)C1 ZINC000336671334 386317837 /nfs/dbraw/zinc/31/78/37/386317837.db2.gz JLRXLBUXVQSVJB-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO Cc1ccc(O)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000091996159 386318621 /nfs/dbraw/zinc/31/86/21/386318621.db2.gz YOQVYSIBRKWZDV-VXGBXAGGSA-N 1 3 249.358 1.655 20 0 BDADHO CC[C@H](COC)[NH2+]CC1=CCN(C)CC1 ZINC000336731570 386323882 /nfs/dbraw/zinc/32/38/82/386323882.db2.gz KUQHIPKERJKCKP-GFCCVEGCSA-N 1 3 212.337 1.263 20 0 BDADHO COC1CCC(N(C)C[C@@H]2CC[NH2+]C2)CC1 ZINC000647885673 386277539 /nfs/dbraw/zinc/27/75/39/386277539.db2.gz CUQJJLSUBOHVEW-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)[C@H](C(C)C)C1 ZINC000414744856 386341155 /nfs/dbraw/zinc/34/11/55/386341155.db2.gz QHKWDNZGWMOVIU-KGLIPLIRSA-N 1 3 241.423 1.632 20 0 BDADHO C[C@@H](CC1CC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000336731949 386351262 /nfs/dbraw/zinc/35/12/62/386351262.db2.gz FNGAQHVMUGRLPP-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO C(N[C@H]1CCCC[NH2+]C1)[C@H]1CCSC1 ZINC000335271788 386360394 /nfs/dbraw/zinc/36/03/94/386360394.db2.gz VHJGGEMHLHSJPR-MNOVXSKESA-N 1 3 214.378 1.471 20 0 BDADHO CC(C)[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906075 386370604 /nfs/dbraw/zinc/37/06/04/386370604.db2.gz ORGVJECSXZIUGP-MGPQQGTHSA-N 1 3 240.391 1.922 20 0 BDADHO CCn1nccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008038 386371623 /nfs/dbraw/zinc/37/16/23/386371623.db2.gz MDSWCCSVSVDMQU-UONOGXRCSA-N 1 3 248.374 1.381 20 0 BDADHO CO[C@]1(C)C[C@@H](N(C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647890708 386382006 /nfs/dbraw/zinc/38/20/06/386382006.db2.gz HVSCLYQPKLDMRQ-YRGRVCCFSA-N 1 3 240.391 1.731 20 0 BDADHO C([C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC000336722199 386447736 /nfs/dbraw/zinc/44/77/36/386447736.db2.gz ZTTVDCFPLLNWOU-KBPBESRZSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1)N1CCCC1 ZINC000336722199 386447741 /nfs/dbraw/zinc/44/77/41/386447741.db2.gz ZTTVDCFPLLNWOU-KBPBESRZSA-N 1 3 238.375 1.441 20 0 BDADHO C([C@@H]1CCN(C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000336722199 386447746 /nfs/dbraw/zinc/44/77/46/386447746.db2.gz ZTTVDCFPLLNWOU-KBPBESRZSA-N 1 3 238.375 1.441 20 0 BDADHO C[NH+](C)CC1CCN(CCn2cccn2)CC1 ZINC000336709066 386417823 /nfs/dbraw/zinc/41/78/23/386417823.db2.gz PQZUERARBUIUPW-UHFFFAOYSA-N 1 3 236.363 1.157 20 0 BDADHO C[C@H](O)CCCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427791 386421820 /nfs/dbraw/zinc/42/18/20/386421820.db2.gz BOZFJUJYPPSTQH-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](O)CCCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427791 386421826 /nfs/dbraw/zinc/42/18/26/386421826.db2.gz BOZFJUJYPPSTQH-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](O)CCCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339427792 386422577 /nfs/dbraw/zinc/42/25/77/386422577.db2.gz BOZFJUJYPPSTQH-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](O)CCCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339427792 386422580 /nfs/dbraw/zinc/42/25/80/386422580.db2.gz BOZFJUJYPPSTQH-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO Cc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000059161758 386471003 /nfs/dbraw/zinc/47/10/03/386471003.db2.gz VMTLIJJZPGDTME-UHFFFAOYSA-N 1 3 234.343 1.281 20 0 BDADHO CCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000335366007 386478086 /nfs/dbraw/zinc/47/80/86/386478086.db2.gz NNSYMLQBZSJWHL-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000335366007 386478093 /nfs/dbraw/zinc/47/80/93/386478093.db2.gz NNSYMLQBZSJWHL-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000415011148 386485028 /nfs/dbraw/zinc/48/50/28/386485028.db2.gz QGDSSTSRHXWITB-VHSXEESVSA-N 1 3 235.331 1.470 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]C1CCNCC1 ZINC000414778415 386488020 /nfs/dbraw/zinc/48/80/20/386488020.db2.gz IBXUEFLJIQHXRX-LBPRGKRZSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H](CC(C)C)NC1CC[NH2+]CC1 ZINC000414778415 386488027 /nfs/dbraw/zinc/48/80/27/386488027.db2.gz IBXUEFLJIQHXRX-LBPRGKRZSA-N 1 3 214.353 1.389 20 0 BDADHO COC(=O)c1ccc(CN[C@@H](C)CCC[NH3+])o1 ZINC000415020256 386508420 /nfs/dbraw/zinc/50/84/20/386508420.db2.gz JLNGVGPJNKEZGW-VIFPVBQESA-N 1 3 240.303 1.283 20 0 BDADHO CC1(C)NCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000415042991 386530266 /nfs/dbraw/zinc/53/02/66/386530266.db2.gz RADUBOQFRVTKTN-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO CCOc1cccc(CN[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415033147 386522316 /nfs/dbraw/zinc/52/23/16/386522316.db2.gz IQFWMXFNALLKJA-RYUDHWBXSA-N 1 3 249.358 1.697 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCO ZINC000336780078 386522990 /nfs/dbraw/zinc/52/29/90/386522990.db2.gz QIUADXXNXZEOLU-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCO ZINC000336780078 386522994 /nfs/dbraw/zinc/52/29/94/386522994.db2.gz QIUADXXNXZEOLU-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H]1CN(CCCOC(C)C)CC[C@H]1[NH3+] ZINC000647936456 386527140 /nfs/dbraw/zinc/52/71/40/386527140.db2.gz FJBMZKJLKOXXFW-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000415041991 386527584 /nfs/dbraw/zinc/52/75/84/386527584.db2.gz QJCICMZAPHHGPS-CABZTGNLSA-N 1 3 238.306 1.748 20 0 BDADHO O[C@H]1C[NH2+]C[C@H]1CNCCCC1CCCCC1 ZINC000414773398 386464235 /nfs/dbraw/zinc/46/42/35/386464235.db2.gz AEFNRBHYTRSACE-KGLIPLIRSA-N 1 3 240.391 1.517 20 0 BDADHO CC[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000415080940 386591078 /nfs/dbraw/zinc/59/10/78/386591078.db2.gz MLZIIOJBDGXAON-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCCNCC1)[C@H]1CCCO1 ZINC000415080940 386591082 /nfs/dbraw/zinc/59/10/82/386591082.db2.gz MLZIIOJBDGXAON-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H](CC1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000415046260 386530982 /nfs/dbraw/zinc/53/09/82/386530982.db2.gz UWKTUCRJZIVJOZ-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000519700205 386536983 /nfs/dbraw/zinc/53/69/83/386536983.db2.gz BALYIPKXCGCWDY-GFCCVEGCSA-N 1 3 249.358 1.135 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000415054110 386538529 /nfs/dbraw/zinc/53/85/29/386538529.db2.gz FDMSCGIGXIAPPN-ISFYIQIJSA-N 1 3 208.349 1.619 20 0 BDADHO Cn1nccc1C[NH2+][C@H](CN)C1CCCC1 ZINC000415061713 386541836 /nfs/dbraw/zinc/54/18/36/386541836.db2.gz DDVQYEGMOVEDGO-GFCCVEGCSA-N 1 3 222.336 1.027 20 0 BDADHO Cn1cncc1C[NH2+][C@@H](CN)C1CCCC1 ZINC000415063723 386544552 /nfs/dbraw/zinc/54/45/52/386544552.db2.gz IYPKACLDSCKWDE-LBPRGKRZSA-N 1 3 222.336 1.027 20 0 BDADHO C([NH2+][C@H]1CCCC12CCCC2)C1CNC1 ZINC000335463735 386547649 /nfs/dbraw/zinc/54/76/49/386547649.db2.gz ZFPCMVBNCMNGRB-LBPRGKRZSA-N 1 3 208.349 1.908 20 0 BDADHO C[N@H+](CCC1CCCCCC1)C[C@H](O)CN ZINC000415069240 386551471 /nfs/dbraw/zinc/55/14/71/386551471.db2.gz ONUOLCUKMQGKFG-CYBMUJFWSA-N 1 3 228.380 1.598 20 0 BDADHO C[N@@H+](CCC1CCCCCC1)C[C@H](O)CN ZINC000415069240 386551474 /nfs/dbraw/zinc/55/14/74/386551474.db2.gz ONUOLCUKMQGKFG-CYBMUJFWSA-N 1 3 228.380 1.598 20 0 BDADHO CN(CCC1CCCCCC1)C[C@H](O)C[NH3+] ZINC000415069240 386551480 /nfs/dbraw/zinc/55/14/80/386551480.db2.gz ONUOLCUKMQGKFG-CYBMUJFWSA-N 1 3 228.380 1.598 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000415069919 386552754 /nfs/dbraw/zinc/55/27/54/386552754.db2.gz XYFLUWPEFCXDKX-PDWLFKFUSA-N 1 3 208.349 1.619 20 0 BDADHO CC(C)(N)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414795552 386572944 /nfs/dbraw/zinc/57/29/44/386572944.db2.gz AXSKIIDCPGYVDK-UHFFFAOYSA-N 1 3 218.304 1.390 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CCO1 ZINC000414809033 386625165 /nfs/dbraw/zinc/62/51/65/386625165.db2.gz TUZCBZHMAYBLNX-MQYQWHSLSA-N 1 3 240.391 1.907 20 0 BDADHO Cc1nc(CNCC2CC[NH2+]CC2)sc1C ZINC000415086377 386599850 /nfs/dbraw/zinc/59/98/50/386599850.db2.gz UMOXLZFUHWONAJ-UHFFFAOYSA-N 1 3 239.388 1.849 20 0 BDADHO CN(C)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000414803361 386601116 /nfs/dbraw/zinc/60/11/16/386601116.db2.gz WPFDEPLHROQJER-OLZOCXBDSA-N 1 3 248.374 1.365 20 0 BDADHO C(NC1CCC2(CC2)CC1)[C@@H]1C[NH2+]CCCO1 ZINC000335488928 386605797 /nfs/dbraw/zinc/60/57/97/386605797.db2.gz SSDUTYXUUGITSZ-ZDUSSCGKSA-N 1 3 238.375 1.677 20 0 BDADHO CC[C@@H]([NH2+]CCNC(C)(C)C)[C@H]1CCCO1 ZINC000415087651 386606492 /nfs/dbraw/zinc/60/64/92/386606492.db2.gz WHPXGYIJLKFGIS-VXGBXAGGSA-N 1 3 228.380 1.922 20 0 BDADHO COC(=O)C1(CN[C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415108898 386617884 /nfs/dbraw/zinc/61/78/84/386617884.db2.gz QVMYYOFKQKJCCW-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO COC[C@H](CC(C)C)NCC[C@H](C)[NH3+] ZINC000414819831 386661864 /nfs/dbraw/zinc/66/18/64/386661864.db2.gz IJYHRFRXRKQDKW-QWRGUYRKSA-N 1 3 202.342 1.374 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830852 386709040 /nfs/dbraw/zinc/70/90/40/386709040.db2.gz CMMQJBZXWRIVJE-YFKTTZPYSA-N 1 3 226.364 1.245 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830852 386709043 /nfs/dbraw/zinc/70/90/43/386709043.db2.gz CMMQJBZXWRIVJE-YFKTTZPYSA-N 1 3 226.364 1.245 20 0 BDADHO C[C@@]1(CNC[C@H](N)c2ccccc2)CC[NH2+]C1 ZINC000414825774 386690867 /nfs/dbraw/zinc/69/08/67/386690867.db2.gz DBSGONJSFWGFBE-UONOGXRCSA-N 1 3 233.359 1.276 20 0 BDADHO C[C@@H](C[NH2+]CC[C@H](C)N)CC1CCOCC1 ZINC000414828056 386699247 /nfs/dbraw/zinc/69/92/47/386699247.db2.gz YVHZTWHDUFOMIK-NEPJUHHUSA-N 1 3 228.380 1.766 20 0 BDADHO CC[C@@H]1C[C@@H](CNCC[NH2+]C)CCO1 ZINC000414828957 386703020 /nfs/dbraw/zinc/70/30/20/386703020.db2.gz LQXDGDNGLHZHNT-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CCN1CCC([NH2+][C@@H](CN)CC(C)C)CC1 ZINC000414836261 386730366 /nfs/dbraw/zinc/73/03/66/386730366.db2.gz IIZLTIXIEARBHL-CYBMUJFWSA-N 1 3 227.396 1.434 20 0 BDADHO CCN1CCN([C@H](C)C[NH2+]CC2(F)CC2)CC1 ZINC000527030586 386733754 /nfs/dbraw/zinc/73/37/54/386733754.db2.gz OZUCIYCCFPJYFN-GFCCVEGCSA-N 1 3 243.370 1.104 20 0 BDADHO CCCC[C@H](COC)NC[C@@H](C)C[NH2+]C ZINC000414834805 386724802 /nfs/dbraw/zinc/72/48/02/386724802.db2.gz HVBJARHQSPBCQW-NWDGAFQWSA-N 1 3 216.369 1.637 20 0 BDADHO CC(C)OC1CC([NH2+]CC2=CCN(C)CC2)C1 ZINC000428072542 386768312 /nfs/dbraw/zinc/76/83/12/386768312.db2.gz JGKODADYNFUYHL-UHFFFAOYSA-N 1 3 238.375 1.794 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)CN1CCCC1 ZINC000192485049 386773403 /nfs/dbraw/zinc/77/34/03/386773403.db2.gz OEQSFOGLELNCJZ-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H](C)CC1CCOCC1 ZINC000414844978 386787707 /nfs/dbraw/zinc/78/77/07/386787707.db2.gz RZTYCMHGNOIUOJ-VXGBXAGGSA-N 1 3 228.380 1.637 20 0 BDADHO [NH3+]C[C@@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC000334775046 386826864 /nfs/dbraw/zinc/82/68/64/386826864.db2.gz DIEVHQQEJNEVLN-NSHDSACASA-N 1 3 244.342 1.734 20 0 BDADHO COC[C@@]1(CNCC2CCCCC2)CCC[NH2+]1 ZINC000414936723 386838586 /nfs/dbraw/zinc/83/85/86/386838586.db2.gz CGTKXUGJBDFTCJ-AWEZNQCLSA-N 1 3 240.391 1.925 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414937252 386846768 /nfs/dbraw/zinc/84/67/68/386846768.db2.gz VIWSPWQTTYLDIY-MQYQWHSLSA-N 1 3 240.391 1.778 20 0 BDADHO COc1ccc2c(c1)C[C@H](N[C@@H](C)C[NH3+])CC2 ZINC000414943020 386893513 /nfs/dbraw/zinc/89/35/13/386893513.db2.gz KWXBKOXUIRDNNO-GXFFZTMASA-N 1 3 234.343 1.489 20 0 BDADHO COc1ccc2c(c1)C[C@@H](N[C@@H](C)C[NH3+])CC2 ZINC000414943019 386893664 /nfs/dbraw/zinc/89/36/64/386893664.db2.gz KWXBKOXUIRDNNO-GWCFXTLKSA-N 1 3 234.343 1.489 20 0 BDADHO CS[C@H]1CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000425350363 386866804 /nfs/dbraw/zinc/86/68/04/386866804.db2.gz LKXSJPVZBOCESU-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO CS[C@H]1CC[C@H]1NCCC[NH+]1CCCC1 ZINC000425350363 386866810 /nfs/dbraw/zinc/86/68/10/386866810.db2.gz LKXSJPVZBOCESU-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO CS[C@H]1CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000425350369 386867583 /nfs/dbraw/zinc/86/75/83/386867583.db2.gz LKXSJPVZBOCESU-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO CS[C@H]1CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000425350369 386867588 /nfs/dbraw/zinc/86/75/88/386867588.db2.gz LKXSJPVZBOCESU-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO c1cc2c(cc1C[NH2+]C1CCNCC1)CCCN2 ZINC000334846721 386894664 /nfs/dbraw/zinc/89/46/64/386894664.db2.gz HJNHOXJZHWFCLV-UHFFFAOYSA-N 1 3 245.370 1.886 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414944180 386902730 /nfs/dbraw/zinc/90/27/30/386902730.db2.gz GFRZHMATOFLJEV-QWRGUYRKSA-N 1 3 242.363 1.306 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414944180 386902736 /nfs/dbraw/zinc/90/27/36/386902736.db2.gz GFRZHMATOFLJEV-QWRGUYRKSA-N 1 3 242.363 1.306 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCCSC2)CCCNC1 ZINC000334871904 386932849 /nfs/dbraw/zinc/93/28/49/386932849.db2.gz CBWGPVALGCSEMD-RYUDHWBXSA-N 1 3 228.405 1.861 20 0 BDADHO C[C@]1(CN[C@H]2CCCSC2)CCC[NH2+]C1 ZINC000334871904 386932852 /nfs/dbraw/zinc/93/28/52/386932852.db2.gz CBWGPVALGCSEMD-RYUDHWBXSA-N 1 3 228.405 1.861 20 0 BDADHO C[C@@]1(C[NH2+][C@H]2CCCOCC2)CCCNC1 ZINC000334873912 386935255 /nfs/dbraw/zinc/93/52/55/386935255.db2.gz KNKIBBFNNDXBRR-QWHCGFSZSA-N 1 3 226.364 1.535 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@@H+](C)C[C@H]2C)nc1 ZINC000358358336 386940671 /nfs/dbraw/zinc/94/06/71/386940671.db2.gz RREUNXDLHWQZLZ-OLZOCXBDSA-N 1 3 248.374 1.257 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@H+](C)C[C@H]2C)nc1 ZINC000358358336 386940675 /nfs/dbraw/zinc/94/06/75/386940675.db2.gz RREUNXDLHWQZLZ-OLZOCXBDSA-N 1 3 248.374 1.257 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCCCO)C1 ZINC000304327530 387031537 /nfs/dbraw/zinc/03/15/37/387031537.db2.gz TXLKYEQBBORECQ-GFCCVEGCSA-N 1 3 214.353 1.033 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCCCO)C1 ZINC000304327530 387031539 /nfs/dbraw/zinc/03/15/39/387031539.db2.gz TXLKYEQBBORECQ-GFCCVEGCSA-N 1 3 214.353 1.033 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000359034003 387046144 /nfs/dbraw/zinc/04/61/44/387046144.db2.gz HQXKSUSEKWSSAB-MJBXVCDLSA-N 1 3 241.423 1.789 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000359587989 387130760 /nfs/dbraw/zinc/13/07/60/387130760.db2.gz WUQDZGHLYIKYDW-NSHDSACASA-N 1 3 214.353 1.031 20 0 BDADHO CC1(F)CC([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000335008451 387102468 /nfs/dbraw/zinc/10/24/68/387102468.db2.gz UMJFUBUPLFRMLM-VOBJUBJWSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNCC2 ZINC000336274686 387106210 /nfs/dbraw/zinc/10/62/10/387106210.db2.gz IVYRZIDHUKOWEZ-SECBINFHSA-N 1 3 233.315 1.008 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423307898 387143084 /nfs/dbraw/zinc/14/30/84/387143084.db2.gz NWPROBBEALHCER-ZOBORPQBSA-N 1 3 240.391 1.766 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423307897 387143775 /nfs/dbraw/zinc/14/37/75/387143775.db2.gz NWPROBBEALHCER-YIYPIFLZSA-N 1 3 240.391 1.766 20 0 BDADHO CC[C@H](Cc1ccccc1)[NH2+]CC1CNC1 ZINC000423308053 387144112 /nfs/dbraw/zinc/14/41/12/387144112.db2.gz XGBSEFBVMDSZAT-CQSZACIVSA-N 1 3 218.344 1.817 20 0 BDADHO CC[C@H](Cc1ccccc1)NCC1C[NH2+]C1 ZINC000423308053 387144114 /nfs/dbraw/zinc/14/41/14/387144114.db2.gz XGBSEFBVMDSZAT-CQSZACIVSA-N 1 3 218.344 1.817 20 0 BDADHO CC(C)CO[C@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000423308725 387144514 /nfs/dbraw/zinc/14/45/14/387144514.db2.gz YETWKPJZENARCB-OLZOCXBDSA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)CO[C@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C ZINC000423308725 387144515 /nfs/dbraw/zinc/14/45/15/387144515.db2.gz YETWKPJZENARCB-OLZOCXBDSA-N 1 3 240.391 1.635 20 0 BDADHO C([NH2+][C@H]1CCCC[C@@H]1C1CC1)C1CNC1 ZINC000423309114 387146166 /nfs/dbraw/zinc/14/61/66/387146166.db2.gz YZRAEVNYVOUWBO-OLZOCXBDSA-N 1 3 208.349 1.764 20 0 BDADHO C([NH2+][C@@H]1CCCC[C@H]1C1CC1)C1CNC1 ZINC000423309115 387146860 /nfs/dbraw/zinc/14/68/60/387146860.db2.gz YZRAEVNYVOUWBO-QWHCGFSZSA-N 1 3 208.349 1.764 20 0 BDADHO CCC[NH2+]CCN[C@H](CC)[C@H]1CCOC1 ZINC000423312368 387147929 /nfs/dbraw/zinc/14/79/29/387147929.db2.gz RRHLXEUIAQMLKN-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO Cc1ccncc1[C@H](C)NC[C@H](C)C[NH3+] ZINC000423315242 387154952 /nfs/dbraw/zinc/15/49/52/387154952.db2.gz ZIINERSGNHFCLY-KOLCDFICSA-N 1 3 207.321 1.635 20 0 BDADHO COC[C@@H](N[C@H](C)C[NH3+])C1CCCC1 ZINC000423318221 387160251 /nfs/dbraw/zinc/16/02/51/387160251.db2.gz DBLLGQUZEWEGLX-MWLCHTKSSA-N 1 3 200.326 1.128 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C1(CC)CC ZINC000423320313 387162536 /nfs/dbraw/zinc/16/25/36/387162536.db2.gz GDWOLBIZHJALJN-GRYCIOLGSA-N 1 3 228.380 1.907 20 0 BDADHO COc1cccc2c1CC[C@H](NCC1C[NH2+]C1)C2 ZINC000423324367 387166904 /nfs/dbraw/zinc/16/69/04/387166904.db2.gz PGAQPLFOCWUWTN-ZDUSSCGKSA-N 1 3 246.354 1.362 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+]CC1CNC1)C2 ZINC000423324367 387166910 /nfs/dbraw/zinc/16/69/10/387166910.db2.gz PGAQPLFOCWUWTN-ZDUSSCGKSA-N 1 3 246.354 1.362 20 0 BDADHO COC[C@H](NCC1([NH3+])CCC1)C(C)C ZINC000423323437 387167171 /nfs/dbraw/zinc/16/71/71/387167171.db2.gz JLHXIWZXGYKYKY-JTQLQIEISA-N 1 3 200.326 1.128 20 0 BDADHO c1cncc([C@H]2CCC[C@@H]([NH2+]CC3CNC3)C2)c1 ZINC000423329518 387173193 /nfs/dbraw/zinc/17/31/93/387173193.db2.gz SXHGYTQJYIAEID-DZGCQCFKSA-N 1 3 245.370 1.917 20 0 BDADHO c1cncc([C@H]2CCC[C@@H](NCC3C[NH2+]C3)C2)c1 ZINC000423329518 387173203 /nfs/dbraw/zinc/17/32/03/387173203.db2.gz SXHGYTQJYIAEID-DZGCQCFKSA-N 1 3 245.370 1.917 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CCc2c1cccc2F ZINC000423303338 387138177 /nfs/dbraw/zinc/13/81/77/387138177.db2.gz WWPWIQGIIXTGJH-ZANVPECISA-N 1 3 222.307 1.997 20 0 BDADHO C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423364707 387216240 /nfs/dbraw/zinc/21/62/40/387216240.db2.gz OXYMJFOMSTUPDF-YNEHKIRRSA-N 1 3 237.391 1.343 20 0 BDADHO COCC1=CC[N@H+](CC[C@H]2CCCN2C)CC1 ZINC000187691112 387224604 /nfs/dbraw/zinc/22/46/04/387224604.db2.gz HVRUNHKWTNILSD-CQSZACIVSA-N 1 3 238.375 1.749 20 0 BDADHO COCC1=CC[N@@H+](CC[C@H]2CCCN2C)CC1 ZINC000187691112 387224608 /nfs/dbraw/zinc/22/46/08/387224608.db2.gz HVRUNHKWTNILSD-CQSZACIVSA-N 1 3 238.375 1.749 20 0 BDADHO CO[C@@H]1CCC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000643497201 387228296 /nfs/dbraw/zinc/22/82/96/387228296.db2.gz RGMMZRXFYMNPBM-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO C[NH2+][C@@H](C)CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397616 387233014 /nfs/dbraw/zinc/23/30/14/387233014.db2.gz SRLZUOFRNJPFRM-UMSGYPCISA-N 1 3 238.375 1.532 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CCCC1 ZINC000423407743 387243048 /nfs/dbraw/zinc/24/30/48/387243048.db2.gz WJAHQVSTQFCRJP-XBFCOCLRSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)C1CCCC1 ZINC000423407743 387243050 /nfs/dbraw/zinc/24/30/50/387243050.db2.gz WJAHQVSTQFCRJP-XBFCOCLRSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cccc(CO)c1 ZINC000423409314 387246711 /nfs/dbraw/zinc/24/67/11/387246711.db2.gz YRJHVPXGCYJAJV-HUBLWGQQSA-N 1 3 248.370 1.828 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1C[C@H](OC)C1(CC)CC ZINC000423464609 387312826 /nfs/dbraw/zinc/31/28/26/387312826.db2.gz MGLSPPFRYBHZIF-TUAOUCFPSA-N 1 3 228.380 1.907 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423374352 387255543 /nfs/dbraw/zinc/25/55/43/387255543.db2.gz IHTONSIYTFQQKK-VLEAKVRGSA-N 1 3 200.326 1.269 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C12CCC2 ZINC000423379476 387263639 /nfs/dbraw/zinc/26/36/39/387263639.db2.gz XSXGOUCRDMBCGN-FVCCEPFGSA-N 1 3 238.375 1.804 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000423379476 387263645 /nfs/dbraw/zinc/26/36/45/387263645.db2.gz XSXGOUCRDMBCGN-FVCCEPFGSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H]1O[C@@H](C)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423382197 387264913 /nfs/dbraw/zinc/26/49/13/387264913.db2.gz ODAITCZMSRPHLS-IYKVGLELSA-N 1 3 212.337 1.282 20 0 BDADHO C[C@H]1O[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423382197 387264917 /nfs/dbraw/zinc/26/49/17/387264917.db2.gz ODAITCZMSRPHLS-IYKVGLELSA-N 1 3 212.337 1.282 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CCCC1 ZINC000423386501 387270906 /nfs/dbraw/zinc/27/09/06/387270906.db2.gz SAGLCSGRKJQSJA-XBFCOCLRSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)C1CCCC1 ZINC000423386501 387270910 /nfs/dbraw/zinc/27/09/10/387270910.db2.gz SAGLCSGRKJQSJA-XBFCOCLRSA-N 1 3 240.391 1.922 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1NC[C@@H](C)[NH2+]C ZINC000423394601 387282517 /nfs/dbraw/zinc/28/25/17/387282517.db2.gz QJVGDUHPASCJFS-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO Cc1cc(N)cc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000423469332 387317961 /nfs/dbraw/zinc/31/79/61/387317961.db2.gz CAASAQXUGICNHD-MNOVXSKESA-N 1 3 221.348 1.793 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCC(C)(C)O)C1 ZINC000360436837 387284509 /nfs/dbraw/zinc/28/45/09/387284509.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCC(C)(C)O)C1 ZINC000360436837 387284510 /nfs/dbraw/zinc/28/45/10/387284510.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360436837 387284515 /nfs/dbraw/zinc/28/45/15/387284515.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360436837 387284517 /nfs/dbraw/zinc/28/45/17/387284517.db2.gz KFGHZGLNQROJIR-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H](N[C@@H](C)CCCC[NH3+])c1nccn1C ZINC000423435051 387286836 /nfs/dbraw/zinc/28/68/36/387286836.db2.gz ONLPPJWQAGWTDH-RYUDHWBXSA-N 1 3 238.379 1.978 20 0 BDADHO CC[C@@H](NCCC1=CC[NH2+]CC1)c1nccn1C ZINC000423537139 387364181 /nfs/dbraw/zinc/36/41/81/387364181.db2.gz JHXLBCQBMPJMNA-CYBMUJFWSA-N 1 3 248.374 1.771 20 0 BDADHO Cc1cc([C@@H](C)NCCC2=CC[NH2+]CC2)nn1C ZINC000423539029 387365360 /nfs/dbraw/zinc/36/53/60/387365360.db2.gz OIDTUHIDGIOVAK-GFCCVEGCSA-N 1 3 248.374 1.689 20 0 BDADHO Cc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])cc(C)n1 ZINC000423559686 387375784 /nfs/dbraw/zinc/37/57/84/387375784.db2.gz UCJHGDASLXFSNH-ZJUUUORDSA-N 1 3 221.348 1.914 20 0 BDADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423571992 387379196 /nfs/dbraw/zinc/37/91/96/387379196.db2.gz YAQQMXBUPYFJRJ-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO COCC[C@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423570050 387379473 /nfs/dbraw/zinc/37/94/73/387379473.db2.gz WSNAXNLHEDEXMT-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1nc(CCN[C@H]2CCC[C@H]([NH3+])C2)cs1 ZINC000226313593 387381938 /nfs/dbraw/zinc/38/19/38/387381938.db2.gz PXFUGDYQGXKGTC-QWRGUYRKSA-N 1 3 239.388 1.854 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)C1CCOCC1 ZINC000036321637 387382811 /nfs/dbraw/zinc/38/28/11/387382811.db2.gz RIZFBKGQQVYJDA-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)C1CCOCC1 ZINC000036321637 387382816 /nfs/dbraw/zinc/38/28/16/387382816.db2.gz RIZFBKGQQVYJDA-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)C1CC([NH2+]C[C@@H]2CNCCCO2)C1 ZINC000423485154 387331617 /nfs/dbraw/zinc/33/16/17/387331617.db2.gz ANTWZLQUSCRUDS-BPCQOVAHSA-N 1 3 226.364 1.389 20 0 BDADHO CC(C)C1CC(NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000423485154 387331619 /nfs/dbraw/zinc/33/16/19/387331619.db2.gz ANTWZLQUSCRUDS-BPCQOVAHSA-N 1 3 226.364 1.389 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])CC)C12CCC2 ZINC000423484560 387332263 /nfs/dbraw/zinc/33/22/63/387332263.db2.gz YOMPYIVYWZRSSJ-QJPTWQEYSA-N 1 3 226.364 1.661 20 0 BDADHO CC[C@@H]1CC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000423496783 387339258 /nfs/dbraw/zinc/33/92/58/387339258.db2.gz XQJISWPSZPUENB-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423508859 387345357 /nfs/dbraw/zinc/34/53/57/387345357.db2.gz QZGZGFRCLKZPFY-TYNCELHUSA-N 1 3 249.402 1.964 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000643475329 387508593 /nfs/dbraw/zinc/50/85/93/387508593.db2.gz GYDFGGUQEKTDFE-NEPJUHHUSA-N 1 3 212.337 1.286 20 0 BDADHO CC[NH+]1CCC(CN[C@H](C)c2ccncn2)CC1 ZINC000396062016 387531711 /nfs/dbraw/zinc/53/17/11/387531711.db2.gz XWWXDFIEXDAYIF-GFCCVEGCSA-N 1 3 248.374 1.859 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000395838595 387478581 /nfs/dbraw/zinc/47/85/81/387478581.db2.gz MHIFUFDTMUXGID-NWDGAFQWSA-N 1 3 226.364 1.256 20 0 BDADHO C(C[NH2+]C1CC1)N[C@@H]1CC[C@H]1C1CCC1 ZINC000643508017 387481591 /nfs/dbraw/zinc/48/15/91/387481591.db2.gz ZUERLTDYGWSPBI-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO CCC1(O)CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000643474199 387488088 /nfs/dbraw/zinc/48/80/88/387488088.db2.gz NHMKRRRDZUILEO-RJZJGCCBSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](CN)CC(C)C ZINC000643511175 387592260 /nfs/dbraw/zinc/59/22/60/387592260.db2.gz HAROMYNVAXVOHZ-ONGXEEELSA-N 1 3 224.352 1.742 20 0 BDADHO CCOC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422638735 387611570 /nfs/dbraw/zinc/61/15/70/387611570.db2.gz RHAQRPIDVSTSQP-SRVKXCTJSA-N 1 3 242.363 1.245 20 0 BDADHO Cc1cn[nH]c1CN1CCC(C[NH+](C)C)CC1 ZINC000356079045 387613143 /nfs/dbraw/zinc/61/31/43/387613143.db2.gz AHRZDRRVFRFUMJ-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCO1 ZINC000422700691 387615473 /nfs/dbraw/zinc/61/54/73/387615473.db2.gz HGVQLRNJZTYNOG-HNGCFSAESA-N 1 3 224.348 1.428 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H](O)C1CCCCC1 ZINC000422702995 387617360 /nfs/dbraw/zinc/61/73/60/387617360.db2.gz MBAGRQVLQCGOJZ-FRRDWIJNSA-N 1 3 226.364 1.397 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422706672 387621803 /nfs/dbraw/zinc/62/18/03/387621803.db2.gz UUYHJSKSCFFOMD-IHRRRGAJSA-N 1 3 240.391 1.645 20 0 BDADHO CCCCN(C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422708812 387622892 /nfs/dbraw/zinc/62/28/92/387622892.db2.gz JKDJKQCIRVZOOD-ZIAGYGMSSA-N 1 3 241.423 1.839 20 0 BDADHO CCCCN(C)CCNC1CC[NH2+]CC1 ZINC000422712502 387625722 /nfs/dbraw/zinc/62/57/22/387625722.db2.gz OKAVFHKZACBIHI-UHFFFAOYSA-N 1 3 213.369 1.060 20 0 BDADHO CN1CC[C@@H](C[N@H+](C)C/C=C/c2ccncc2)C1 ZINC000426168152 387546767 /nfs/dbraw/zinc/54/67/67/387546767.db2.gz XYVVEFSUGNBQHN-BWPKMQGJSA-N 1 3 245.370 1.978 20 0 BDADHO CN1CC[C@@H](C[N@@H+](C)C/C=C/c2ccncc2)C1 ZINC000426168152 387546770 /nfs/dbraw/zinc/54/67/70/387546770.db2.gz XYVVEFSUGNBQHN-BWPKMQGJSA-N 1 3 245.370 1.978 20 0 BDADHO C[C@H](NC[C@@]1(C)CCOC1)[C@H]1CCCC[NH2+]1 ZINC000397181241 387549666 /nfs/dbraw/zinc/54/96/66/387549666.db2.gz JBUORPYCKOUSRI-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266627 387552333 /nfs/dbraw/zinc/55/23/33/387552333.db2.gz ZFJPPVDUMGBDTL-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1O ZINC000426266627 387552338 /nfs/dbraw/zinc/55/23/38/387552338.db2.gz ZFJPPVDUMGBDTL-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO CCN(C)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422722524 387632856 /nfs/dbraw/zinc/63/28/56/387632856.db2.gz YGAKNUAGHYIKAT-ZFWWWQNUSA-N 1 3 249.402 1.486 20 0 BDADHO COCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422728060 387635142 /nfs/dbraw/zinc/63/51/42/387635142.db2.gz DWWZNNKVSAEFDO-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CCCCOCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422726191 387635160 /nfs/dbraw/zinc/63/51/60/387635160.db2.gz DJWADCDJRKRCMO-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H]([NH2+]CCCc1ccccc1)C1CNC1 ZINC000422729490 387637941 /nfs/dbraw/zinc/63/79/41/387637941.db2.gz IEZDWHGLNXGBRO-GFCCVEGCSA-N 1 3 218.344 1.817 20 0 BDADHO C[C@@H](NCCCc1ccccc1)C1C[NH2+]C1 ZINC000422729490 387637947 /nfs/dbraw/zinc/63/79/47/387637947.db2.gz IEZDWHGLNXGBRO-GFCCVEGCSA-N 1 3 218.344 1.817 20 0 BDADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N(C)C ZINC000422736780 387642341 /nfs/dbraw/zinc/64/23/41/387642341.db2.gz GQQQNFDNMVKPHP-YDHLFZDLSA-N 1 3 249.402 1.485 20 0 BDADHO Cc1ccccc1OCCCN[C@@H](C)C1C[NH2+]C1 ZINC000422738936 387646779 /nfs/dbraw/zinc/64/67/79/387646779.db2.gz KLTOWQPAAIYHIJ-ZDUSSCGKSA-N 1 3 248.370 1.961 20 0 BDADHO Cc1ccccc1OCCC[NH2+][C@@H](C)C1CNC1 ZINC000422738936 387646785 /nfs/dbraw/zinc/64/67/85/387646785.db2.gz KLTOWQPAAIYHIJ-ZDUSSCGKSA-N 1 3 248.370 1.961 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000422740592 387648741 /nfs/dbraw/zinc/64/87/41/387648741.db2.gz CBNMVLLNFLRMAR-QEJZJMRPSA-N 1 3 248.370 1.571 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccccc1 ZINC000422740592 387648744 /nfs/dbraw/zinc/64/87/44/387648744.db2.gz CBNMVLLNFLRMAR-QEJZJMRPSA-N 1 3 248.370 1.571 20 0 BDADHO CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422746797 387651259 /nfs/dbraw/zinc/65/12/59/387651259.db2.gz OHEBRSFNKYRBIC-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO CSCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422749921 387654909 /nfs/dbraw/zinc/65/49/09/387654909.db2.gz BMGHLKGCOATEHF-NXEZZACHSA-N 1 3 202.367 1.327 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1F ZINC000422749849 387656185 /nfs/dbraw/zinc/65/61/85/387656185.db2.gz BDERMMGQPWAEHT-VXGBXAGGSA-N 1 3 238.306 1.674 20 0 BDADHO C[C@@H](NC[C@@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756457 387660834 /nfs/dbraw/zinc/66/08/34/387660834.db2.gz LMWRBPVKFHNMNG-DOMZBBRYSA-N 1 3 247.386 1.487 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422758330 387661475 /nfs/dbraw/zinc/66/14/75/387661475.db2.gz JIGXQOREUIBAHZ-HBNTYKKESA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)CC(C)(C)C ZINC000422757660 387661972 /nfs/dbraw/zinc/66/19/72/387661972.db2.gz ISIUTWDVDAVSSD-GARJFASQSA-N 1 3 216.369 1.499 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCNCC[C@H]1C ZINC000422764156 387665314 /nfs/dbraw/zinc/66/53/14/387665314.db2.gz URLJKORSICJFGJ-VWYCJHECSA-N 1 3 216.394 1.716 20 0 BDADHO CSC[C@H](C)N[C@H]1CC[NH2+]CC[C@H]1C ZINC000422764156 387665317 /nfs/dbraw/zinc/66/53/17/387665317.db2.gz URLJKORSICJFGJ-VWYCJHECSA-N 1 3 216.394 1.716 20 0 BDADHO Cc1cc(C)n(CCC[NH2+][C@H](C)C[C@@H](C)N)n1 ZINC000422764982 387666054 /nfs/dbraw/zinc/66/60/54/387666054.db2.gz VQWIAPYAGDNIPZ-GHMZBOCLSA-N 1 3 238.379 1.605 20 0 BDADHO C[C@@H](N[C@@H](C)CN1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422769549 387668519 /nfs/dbraw/zinc/66/85/19/387668519.db2.gz VEJLPXUFSGYDJD-FRRDWIJNSA-N 1 3 239.407 1.304 20 0 BDADHO COc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422770967 387670099 /nfs/dbraw/zinc/67/00/99/387670099.db2.gz QXFHGSKCZVUICQ-QWRGUYRKSA-N 1 3 222.332 1.911 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)c1ccccc1CN(C)C ZINC000422776413 387673406 /nfs/dbraw/zinc/67/34/06/387673406.db2.gz DLUHAKXYKDECLP-NSHDSACASA-N 1 3 249.358 1.215 20 0 BDADHO CCC[N@H+](CCOCC1CC1)C1CCNCC1 ZINC000431072086 387675600 /nfs/dbraw/zinc/67/56/00/387675600.db2.gz DGHKSXQJEZJABK-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CCC[N@@H+](CCOCC1CC1)C1CCNCC1 ZINC000431072086 387675604 /nfs/dbraw/zinc/67/56/04/387675604.db2.gz DGHKSXQJEZJABK-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CCCN(CCOCC1CC1)C1CC[NH2+]CC1 ZINC000431072086 387675609 /nfs/dbraw/zinc/67/56/09/387675609.db2.gz DGHKSXQJEZJABK-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO COC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C(C)C ZINC000422781695 387680958 /nfs/dbraw/zinc/68/09/58/387680958.db2.gz MILHXGWNGFLXJQ-UPJWGTAASA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000422781695 387680961 /nfs/dbraw/zinc/68/09/61/387680961.db2.gz MILHXGWNGFLXJQ-UPJWGTAASA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H]([NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000126503314 387684891 /nfs/dbraw/zinc/68/48/91/387684891.db2.gz VUOFUAHCWHLCLA-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](NC[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503314 387684895 /nfs/dbraw/zinc/68/48/95/387684895.db2.gz VUOFUAHCWHLCLA-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)CCOCCN[C@H](C)C[C@H](C)[NH3+] ZINC000422786823 387685866 /nfs/dbraw/zinc/68/58/66/387685866.db2.gz SYMOKIQIKZLDAU-NWDGAFQWSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)CN1C1CC1 ZINC000422871871 387749275 /nfs/dbraw/zinc/74/92/75/387749275.db2.gz ZXQXANVCUAXFRP-CZXHOFHRSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@]1(C)CCCS1 ZINC000422873052 387753365 /nfs/dbraw/zinc/75/33/65/387753365.db2.gz JPWNHOBGPIPSTR-HBNTYKKESA-N 1 3 216.394 1.988 20 0 BDADHO CO[C@@H]1CCCC[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC000422796278 387699946 /nfs/dbraw/zinc/69/99/46/387699946.db2.gz YBEIFGLXSUAMHU-YUSALJHKSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000422796278 387699954 /nfs/dbraw/zinc/69/99/54/387699954.db2.gz YBEIFGLXSUAMHU-YUSALJHKSA-N 1 3 212.337 1.142 20 0 BDADHO CC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1CCOCC1 ZINC000422802455 387701253 /nfs/dbraw/zinc/70/12/53/387701253.db2.gz BNHJDZZMPFVQPE-LOWVWBTDSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422804888 387701490 /nfs/dbraw/zinc/70/14/90/387701490.db2.gz IFEDIEVIJCCXLO-IHRRRGAJSA-N 1 3 242.407 1.748 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000422809285 387708075 /nfs/dbraw/zinc/70/80/75/387708075.db2.gz RRTWXIHIIUVAKS-UBHSHLNASA-N 1 3 240.391 1.909 20 0 BDADHO CO[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422810020 387708200 /nfs/dbraw/zinc/70/82/00/387708200.db2.gz QTNHNMJYESRHNX-YNEHKIRRSA-N 1 3 228.380 1.907 20 0 BDADHO COCc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422808559 387709028 /nfs/dbraw/zinc/70/90/28/387709028.db2.gz OKLZXFUNFLCZDX-KGLIPLIRSA-N 1 3 234.343 1.802 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422810912 387709089 /nfs/dbraw/zinc/70/90/89/387709089.db2.gz UYFCIKKECAVSQV-ZIAGYGMSSA-N 1 3 247.342 1.614 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000422817006 387714643 /nfs/dbraw/zinc/71/46/43/387714643.db2.gz BYOWSWOYKPKSST-RVMXOQNASA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(C)CCCC[C@H]1O ZINC000422817006 387714649 /nfs/dbraw/zinc/71/46/49/387714649.db2.gz BYOWSWOYKPKSST-RVMXOQNASA-N 1 3 228.380 1.643 20 0 BDADHO CCO[C@@H](CC[NH2+][C@H](C)C1CNC1)C(C)C ZINC000422815564 387714676 /nfs/dbraw/zinc/71/46/76/387714676.db2.gz XXCOMHHLWVHWNK-YPMHNXCESA-N 1 3 228.380 1.635 20 0 BDADHO CCO[C@@H](CCN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422815564 387714681 /nfs/dbraw/zinc/71/46/81/387714681.db2.gz XXCOMHHLWVHWNK-YPMHNXCESA-N 1 3 228.380 1.635 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCC[C@H]1N ZINC000422817315 387715406 /nfs/dbraw/zinc/71/54/06/387715406.db2.gz CVIXQBNJZTXAFE-VXGBXAGGSA-N 1 3 213.369 1.188 20 0 BDADHO CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N(C)C ZINC000422820710 387716843 /nfs/dbraw/zinc/71/68/43/387716843.db2.gz RYVQEAZLXUHSHX-FRRDWIJNSA-N 1 3 227.396 1.432 20 0 BDADHO CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]1N)N(C)C ZINC000422820712 387716966 /nfs/dbraw/zinc/71/69/66/387716966.db2.gz RYVQEAZLXUHSHX-UPJWGTAASA-N 1 3 227.396 1.432 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCCSC1 ZINC000422821189 387717843 /nfs/dbraw/zinc/71/78/43/387717843.db2.gz UXJSWDFBCJHCGZ-AEJSXWLSSA-N 1 3 200.351 1.351 20 0 BDADHO CC(C)C[C@H](CN[C@H](C)C[C@H](C)[NH3+])N(C)C ZINC000422820794 387718623 /nfs/dbraw/zinc/71/86/23/387718623.db2.gz SFYWYZNACNKXAQ-YNEHKIRRSA-N 1 3 229.412 1.678 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCC[C@H]1O ZINC000422824347 387719559 /nfs/dbraw/zinc/71/95/59/387719559.db2.gz NPIOWDSUJSOMAF-REWJHTLYSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOCc1ccccc1 ZINC000422824998 387719702 /nfs/dbraw/zinc/71/97/02/387719702.db2.gz OVRAXVUOGNXEFO-CHWSQXEVSA-N 1 3 236.359 1.919 20 0 BDADHO C[C@H](F)CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000367523390 387720443 /nfs/dbraw/zinc/72/04/43/387720443.db2.gz OMHBSUAKVDUPMW-GARJFASQSA-N 1 3 200.301 1.228 20 0 BDADHO C[C@H](F)CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000367523390 387720449 /nfs/dbraw/zinc/72/04/49/387720449.db2.gz OMHBSUAKVDUPMW-GARJFASQSA-N 1 3 200.301 1.228 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@@H]2[NH3+])CCCC[C@H]1O ZINC000422823367 387720991 /nfs/dbraw/zinc/72/09/91/387720991.db2.gz LJCPFGUSRQNEKY-UMSGYPCISA-N 1 3 226.364 1.397 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000422834673 387724690 /nfs/dbraw/zinc/72/46/90/387724690.db2.gz NWQTUWYGJQQZFH-OLZOCXBDSA-N 1 3 248.374 1.601 20 0 BDADHO C[C@@H](N[C@@H](C)CN1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000422836695 387728751 /nfs/dbraw/zinc/72/87/51/387728751.db2.gz RSVWBQZQMZQGIB-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nccs1 ZINC000422839821 387732418 /nfs/dbraw/zinc/73/24/18/387732418.db2.gz RMFKMTXRUZIBNA-WDEREUQCSA-N 1 3 239.388 1.663 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CCC1 ZINC000422847146 387735010 /nfs/dbraw/zinc/73/50/10/387735010.db2.gz HLPHGTCHPUPFMG-FRRDWIJNSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H]1[C@@H](C)N(CC[C@H]2CCC[N@@H+]2C)CCN1C ZINC000356968007 387756028 /nfs/dbraw/zinc/75/60/28/387756028.db2.gz AUUAIVGEVCUQSH-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1[C@@H](C)N(CC[C@H]2CCC[N@H+]2C)CCN1C ZINC000356968007 387756033 /nfs/dbraw/zinc/75/60/33/387756033.db2.gz AUUAIVGEVCUQSH-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCCOC1 ZINC000422855594 387737536 /nfs/dbraw/zinc/73/75/36/387737536.db2.gz CODPDARBERRPKO-UTUOFQBUSA-N 1 3 212.337 1.415 20 0 BDADHO CC[C@@H](CCO)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858929 387741181 /nfs/dbraw/zinc/74/11/81/387741181.db2.gz GSXBLUAZKJHEMO-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NCCN1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422857396 387741320 /nfs/dbraw/zinc/74/13/20/387741320.db2.gz HIVKSHLLFYIYLF-NEPJUHHUSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCOC1 ZINC000422856114 387741736 /nfs/dbraw/zinc/74/17/36/387741736.db2.gz DPFROPYQVJFBJI-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000422856114 387741741 /nfs/dbraw/zinc/74/17/41/387741741.db2.gz DPFROPYQVJFBJI-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCCC[C@H]1C ZINC000422856808 387741816 /nfs/dbraw/zinc/74/18/16/387741816.db2.gz GPHXAMFQOMEBPD-YNEHKIRRSA-N 1 3 227.396 1.576 20 0 BDADHO CC[C@H](O)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422894351 387765438 /nfs/dbraw/zinc/76/54/38/387765438.db2.gz SYFBSPITXQUFSA-SDDRHHMPSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422894351 387765446 /nfs/dbraw/zinc/76/54/46/387765446.db2.gz SYFBSPITXQUFSA-SDDRHHMPSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1ccc(F)cn1 ZINC000422897504 387765890 /nfs/dbraw/zinc/76/58/90/387765890.db2.gz ZVUMFCCOGWAPEE-JTQLQIEISA-N 1 3 225.311 1.828 20 0 BDADHO CC(C)O[C@H]1C[C@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527516 387765994 /nfs/dbraw/zinc/76/59/94/387765994.db2.gz NWAGCCZMUOYEQZ-DCAQKATOSA-N 1 3 214.353 1.515 20 0 BDADHO CN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422897805 387766554 /nfs/dbraw/zinc/76/65/54/387766554.db2.gz CXBHBOLGZQBFBY-AGIUHOORSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CNC1 ZINC000422911454 387769436 /nfs/dbraw/zinc/76/94/36/387769436.db2.gz SVSGLPZRIYXOGB-WCQYABFASA-N 1 3 230.355 1.914 20 0 BDADHO C[C@H](NC[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911454 387769439 /nfs/dbraw/zinc/76/94/39/387769439.db2.gz SVSGLPZRIYXOGB-WCQYABFASA-N 1 3 230.355 1.914 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCC(F)(F)F ZINC000422917878 387772710 /nfs/dbraw/zinc/77/27/10/387772710.db2.gz FXRHBRALVQRSSG-DTWKUNHWSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000643529105 387775357 /nfs/dbraw/zinc/77/53/57/387775357.db2.gz VGPGQQPIYADCTG-NXEZZACHSA-N 1 3 220.316 1.715 20 0 BDADHO Cc1cccc(OCC[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000422928203 387779017 /nfs/dbraw/zinc/77/90/17/387779017.db2.gz JMUMVJKXJPPXIS-KBPBESRZSA-N 1 3 234.343 1.843 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOCC(F)(F)F ZINC000422931556 387780567 /nfs/dbraw/zinc/78/05/67/387780567.db2.gz XUOCWPFABBTSIQ-JGVFFNPUSA-N 1 3 228.258 1.281 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422937197 387782751 /nfs/dbraw/zinc/78/27/51/387782751.db2.gz NVXICCATPZQWCA-GMTAPVOTSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCSCCCO ZINC000422981244 387790837 /nfs/dbraw/zinc/79/08/37/387790837.db2.gz SJNBOTRAXCGDLB-NEPJUHHUSA-N 1 3 246.420 1.080 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCSCCCO ZINC000422981244 387790839 /nfs/dbraw/zinc/79/08/39/387790839.db2.gz SJNBOTRAXCGDLB-NEPJUHHUSA-N 1 3 246.420 1.080 20 0 BDADHO CC[C@H](CCO)[NH2+][C@H]1CCNCC[C@H]1C ZINC000422981445 387790935 /nfs/dbraw/zinc/79/09/35/387790935.db2.gz SVCUTSXMPUNFJN-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000422982437 387792963 /nfs/dbraw/zinc/79/29/63/387792963.db2.gz WTQBQBZXBKCTEM-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992610 387800141 /nfs/dbraw/zinc/80/01/41/387800141.db2.gz RPDXAAFVFHUOHY-NEPJUHHUSA-N 1 3 226.364 1.256 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCn1cccn1 ZINC000422993564 387803435 /nfs/dbraw/zinc/80/34/35/387803435.db2.gz RMRQQYFSLCWWFH-NWDGAFQWSA-N 1 3 222.336 1.133 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000423002237 387807553 /nfs/dbraw/zinc/80/75/53/387807553.db2.gz YOZKAPMATMVCAO-TZMCWYRMSA-N 1 3 233.359 1.731 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001993 387808133 /nfs/dbraw/zinc/80/81/33/387808133.db2.gz FNGYGIOXNILQJO-AAVRWANBSA-N 1 3 240.391 1.515 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442603003 387808652 /nfs/dbraw/zinc/80/86/52/387808652.db2.gz JOYDQIZOSOJPLL-NWDGAFQWSA-N 1 3 241.379 1.091 20 0 BDADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCCC1 ZINC000422965228 387813643 /nfs/dbraw/zinc/81/36/43/387813643.db2.gz OAANIULYFJDDID-RDBSUJKOSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H](CCc1ccco1)N[C@@H](C)C1C[NH2+]C1 ZINC000422961935 387811498 /nfs/dbraw/zinc/81/14/98/387811498.db2.gz DJYZAFODYIEFNC-MNOVXSKESA-N 1 3 222.332 1.798 20 0 BDADHO C[C@H](CCc1ccco1)[NH2+][C@@H](C)C1CNC1 ZINC000422961935 387811503 /nfs/dbraw/zinc/81/15/03/387811503.db2.gz DJYZAFODYIEFNC-MNOVXSKESA-N 1 3 222.332 1.798 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOCC1CC1 ZINC000422888310 387760283 /nfs/dbraw/zinc/76/02/83/387760283.db2.gz MOCGFPYGUVJNAI-NXEZZACHSA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422971215 387821102 /nfs/dbraw/zinc/82/11/02/387821102.db2.gz IHZCOHPNKKBVED-ZGVCCVRISA-N 1 3 226.364 1.266 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@H](CCO)c1ccccc1 ZINC000422975273 387824104 /nfs/dbraw/zinc/82/41/04/387824104.db2.gz GJJFHHXMGRXEAG-MBNYWOFBSA-N 1 3 236.359 1.826 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[C@H](O)C1 ZINC000423003565 387825431 /nfs/dbraw/zinc/82/54/31/387825431.db2.gz HXWKKHKFXUJYRP-VOAKCMCISA-N 1 3 226.364 1.125 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423004143 387826504 /nfs/dbraw/zinc/82/65/04/387826504.db2.gz JIFHZHQLVICQEJ-BFHYXJOUSA-N 1 3 242.407 1.763 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000442714043 387826756 /nfs/dbraw/zinc/82/67/56/387826756.db2.gz KLYJGWPVTLIAHY-WOPDTQHZSA-N 1 3 241.379 1.008 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423004144 387827041 /nfs/dbraw/zinc/82/70/41/387827041.db2.gz JIFHZHQLVICQEJ-MCIONIFRSA-N 1 3 242.407 1.763 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000442719614 387828021 /nfs/dbraw/zinc/82/80/21/387828021.db2.gz RPXOWALFSQICFL-TUAOUCFPSA-N 1 3 241.379 1.090 20 0 BDADHO CCC[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423007520 387828242 /nfs/dbraw/zinc/82/82/42/387828242.db2.gz QUBBOKFUKCPODU-JHJVBQTASA-N 1 3 228.380 1.373 20 0 BDADHO CO[C@@H]1CCC[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013149 387835244 /nfs/dbraw/zinc/83/52/44/387835244.db2.gz FFENVEBAYRSRKQ-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423013347 387836847 /nfs/dbraw/zinc/83/68/47/387836847.db2.gz MQVMORXUNZLODG-YNEHKIRRSA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@H](NC[C@@H]1CCC[C@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012874 387837119 /nfs/dbraw/zinc/83/71/19/387837119.db2.gz DWKSGXCJXDHVCK-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)[C@@H]1CCCN1 ZINC000423012874 387837126 /nfs/dbraw/zinc/83/71/26/387837126.db2.gz DWKSGXCJXDHVCK-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCCS1 ZINC000423028582 387846210 /nfs/dbraw/zinc/84/62/10/387846210.db2.gz GUDBKGBICJHFHC-MXWKQRLJSA-N 1 3 214.378 1.742 20 0 BDADHO CCC(CC)(CN[C@H](C)C[C@H](C)[NH3+])C(=O)OC ZINC000423030319 387846940 /nfs/dbraw/zinc/84/69/40/387846940.db2.gz BETLKNBVXCPYOP-WDEREUQCSA-N 1 3 244.379 1.681 20 0 BDADHO CCC(CC)(C[NH2+][C@H](C)C[C@H](C)N)C(=O)OC ZINC000423030319 387846948 /nfs/dbraw/zinc/84/69/48/387846948.db2.gz BETLKNBVXCPYOP-WDEREUQCSA-N 1 3 244.379 1.681 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032732 387848021 /nfs/dbraw/zinc/84/80/21/387848021.db2.gz NBGCKNMQVKTMKI-QNWHQSFQSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034156 387849473 /nfs/dbraw/zinc/84/94/73/387849473.db2.gz PMIFKRZYGLBJDQ-BEUHCMRWSA-N 1 3 237.391 1.342 20 0 BDADHO c1ccc2c(c1)CCC[C@@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC000643534343 387852689 /nfs/dbraw/zinc/85/26/89/387852689.db2.gz RYUXYFSFPVFXTL-WCVJEAGWSA-N 1 3 242.366 1.741 20 0 BDADHO CCC(CC)(CN[C@H]1CCC[C@@H]1[NH3+])C(=O)OC ZINC000423038466 387852745 /nfs/dbraw/zinc/85/27/45/387852745.db2.gz OKBJYIHGIQMTBF-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000423043317 387855730 /nfs/dbraw/zinc/85/57/30/387855730.db2.gz OIQFHGDNZXPCNK-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO C(C[C@@H]1CCCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423043985 387855787 /nfs/dbraw/zinc/85/57/87/387855787.db2.gz QIQREQYIMBFIIK-PIGZVRMJSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060342 387864686 /nfs/dbraw/zinc/86/46/86/387864686.db2.gz HVOLBTJFLHMPTI-DGAVXFQQSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060347 387865659 /nfs/dbraw/zinc/86/56/59/387865659.db2.gz HVOLBTJFLHMPTI-XDQVBPFNSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964885 387813686 /nfs/dbraw/zinc/81/36/86/387813686.db2.gz MYWUHQHYJYPNBQ-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](NC[C@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069740 387872560 /nfs/dbraw/zinc/87/25/60/387872560.db2.gz BSKUBOJFAWAYJV-BXUZGUMPSA-N 1 3 237.391 1.201 20 0 BDADHO CCC[NH+]1CCC(NCC23CC(C2)CO3)CC1 ZINC000527976358 387816293 /nfs/dbraw/zinc/81/62/93/387816293.db2.gz DZSVNQAQEYKHDA-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H](NC[C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105567 387890795 /nfs/dbraw/zinc/89/07/95/387890795.db2.gz QULBNGUEXVFMNO-DGCLKSJQSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@@H]([NH2+]C[C@H](CO)CC1CCCC1)C1CNC1 ZINC000423105567 387890798 /nfs/dbraw/zinc/89/07/98/387890798.db2.gz QULBNGUEXVFMNO-DGCLKSJQSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCOC(F)F ZINC000423108257 387892955 /nfs/dbraw/zinc/89/29/55/387892955.db2.gz GAOFKRVSIYWEED-BDAKNGLRSA-N 1 3 222.279 1.203 20 0 BDADHO C[C@@H](NC[C@@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109689 387894066 /nfs/dbraw/zinc/89/40/66/387894066.db2.gz NZXIYQRIBCLMJB-FVCCEPFGSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@H]1CCCN1 ZINC000423109689 387894070 /nfs/dbraw/zinc/89/40/70/387894070.db2.gz NZXIYQRIBCLMJB-FVCCEPFGSA-N 1 3 226.364 1.389 20 0 BDADHO CCSCCCN[C@H]1CCC[C@H]1[NH3+] ZINC000423116966 387897903 /nfs/dbraw/zinc/89/79/03/387897903.db2.gz SGGHRPCKKFBVEQ-ZJUUUORDSA-N 1 3 202.367 1.599 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCC2CC(O)C2)c2ccccc21 ZINC000423078418 387876693 /nfs/dbraw/zinc/87/66/93/387876693.db2.gz VZZPAAKLNQNSRF-RLNQVHQUSA-N 1 3 246.354 1.882 20 0 BDADHO C[C@H](NC[C@@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083886 387878922 /nfs/dbraw/zinc/87/89/22/387878922.db2.gz ZJEPPFDPBDLPQO-SMDDNHRTSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1CNC1 ZINC000423083886 387878926 /nfs/dbraw/zinc/87/89/26/387878926.db2.gz ZJEPPFDPBDLPQO-SMDDNHRTSA-N 1 3 240.391 1.515 20 0 BDADHO COC1CCC(C)(C[NH2+][C@@H](C)C2CNC2)CC1 ZINC000423083738 387878932 /nfs/dbraw/zinc/87/89/32/387878932.db2.gz GOOFYRKJWILWKX-XGNXJENSSA-N 1 3 240.391 1.779 20 0 BDADHO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H]1N ZINC000423085866 387880755 /nfs/dbraw/zinc/88/07/55/387880755.db2.gz LRQXJGFSGHBOSB-AGIUHOORSA-N 1 3 239.407 1.576 20 0 BDADHO CSC1(C[NH2+][C@@H](C)C2CNC2)CCC1 ZINC000423091910 387882719 /nfs/dbraw/zinc/88/27/19/387882719.db2.gz ZOPAEUZZNZUVIQ-VIFPVBQESA-N 1 3 214.378 1.470 20 0 BDADHO CSC1(CN[C@@H](C)C2C[NH2+]C2)CCC1 ZINC000423091910 387882721 /nfs/dbraw/zinc/88/27/21/387882721.db2.gz ZOPAEUZZNZUVIQ-VIFPVBQESA-N 1 3 214.378 1.470 20 0 BDADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1N ZINC000423115940 387898694 /nfs/dbraw/zinc/89/86/94/387898694.db2.gz ZBXBHQWHMJXBMF-XQQFMLRXSA-N 1 3 225.380 1.330 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCC[C@H]2[NH3+])C1 ZINC000423099398 387887003 /nfs/dbraw/zinc/88/70/03/387887003.db2.gz UCRRSLXKCVIGKF-KXNHARMFSA-N 1 3 240.347 1.188 20 0 BDADHO CC(C)SCCN[C@H](C)C[C@H](C)[NH3+] ZINC000423104540 387888494 /nfs/dbraw/zinc/88/84/94/387888494.db2.gz HDYQUCHWUFYREU-VHSXEESVSA-N 1 3 204.383 1.843 20 0 BDADHO CC(C)SCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423104539 387888611 /nfs/dbraw/zinc/88/86/11/387888611.db2.gz HDYQUCHWUFYREU-UWVGGRQHSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@@H](F)C1 ZINC000423120282 387900284 /nfs/dbraw/zinc/90/02/84/387900284.db2.gz GRQDVQFSFGNJHN-DBIOUOCHSA-N 1 3 200.301 1.465 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CCCN1 ZINC000423125157 387902369 /nfs/dbraw/zinc/90/23/69/387902369.db2.gz NCMWIJAEARGBMI-RQJABVFESA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](F)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000423131761 387908949 /nfs/dbraw/zinc/90/89/49/387908949.db2.gz ILXQYKAYUCXGMR-DCAQKATOSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423131539 387909780 /nfs/dbraw/zinc/90/97/80/387909780.db2.gz OCFUBGUKKXZKIS-SFYZADRCSA-N 1 3 206.280 1.747 20 0 BDADHO COc1ccncc1CN[C@H](C)CCCC[NH3+] ZINC000423132483 387909895 /nfs/dbraw/zinc/90/98/95/387909895.db2.gz PFNVVCPODVBMJM-LLVKDONJSA-N 1 3 237.347 1.697 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423133417 387912317 /nfs/dbraw/zinc/91/23/17/387912317.db2.gz KIQWJEVQDUQLIM-SCRDCRAPSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](CO)C1CCCCC1 ZINC000423133417 387912321 /nfs/dbraw/zinc/91/23/21/387912321.db2.gz KIQWJEVQDUQLIM-SCRDCRAPSA-N 1 3 242.407 1.891 20 0 BDADHO COc1ncccc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423139031 387916966 /nfs/dbraw/zinc/91/69/66/387916966.db2.gz JZWXPBDPEXRWAH-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO COc1ncccc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000423139031 387916972 /nfs/dbraw/zinc/91/69/72/387916972.db2.gz JZWXPBDPEXRWAH-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO COC[C@](C)(O)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423147949 387925255 /nfs/dbraw/zinc/92/52/55/387925255.db2.gz UCWWMTAPCFJLDG-YNEHKIRRSA-N 1 3 244.379 1.024 20 0 BDADHO CC[C@@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CCCN1 ZINC000423147351 387925953 /nfs/dbraw/zinc/92/59/53/387925953.db2.gz RUFMSFQSDIOCTN-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@H]1CCC[C@H]1F ZINC000423149801 387927880 /nfs/dbraw/zinc/92/78/80/387927880.db2.gz XWJWBTGENFMPSZ-DBIOUOCHSA-N 1 3 200.301 1.594 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1O ZINC000423167035 387952512 /nfs/dbraw/zinc/95/25/12/387952512.db2.gz RUHMOQDRRYRKSS-IGQOVBAYSA-N 1 3 240.391 1.800 20 0 BDADHO CCO[C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423167560 387952673 /nfs/dbraw/zinc/95/26/73/387952673.db2.gz SIILSLMRJDZNDO-QZQCMHJZSA-N 1 3 238.375 1.817 20 0 BDADHO CCC[C@@](C)(N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424223325 387938237 /nfs/dbraw/zinc/93/82/37/387938237.db2.gz LHMFUNXDPWIAKA-CQSZACIVSA-N 1 3 249.358 1.910 20 0 BDADHO Cc1ccc(F)c(CCN[C@H](C)C2C[NH2+]C2)c1 ZINC000423158913 387939152 /nfs/dbraw/zinc/93/91/52/387939152.db2.gz XJUSWNFVRPGDLE-LLVKDONJSA-N 1 3 236.334 1.874 20 0 BDADHO Cc1ccc(F)c(CC[NH2+][C@H](C)C2CNC2)c1 ZINC000423158913 387939156 /nfs/dbraw/zinc/93/91/56/387939156.db2.gz XJUSWNFVRPGDLE-LLVKDONJSA-N 1 3 236.334 1.874 20 0 BDADHO CC[C@H](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160936 387942195 /nfs/dbraw/zinc/94/21/95/387942195.db2.gz RIYWSVOWDJHTJZ-BEUHCMRWSA-N 1 3 240.391 1.920 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000424233160 387943194 /nfs/dbraw/zinc/94/31/94/387943194.db2.gz FHCCOSIMIGZEEZ-GFCCVEGCSA-N 1 3 249.358 1.766 20 0 BDADHO C[C@@H](NCCC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423162842 387945822 /nfs/dbraw/zinc/94/58/22/387945822.db2.gz QJWCYJUMVYYGKB-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CC2=CCCC2)C1 ZINC000645802330 387946235 /nfs/dbraw/zinc/94/62/35/387946235.db2.gz CSBJDWWEPDRLOP-ZDUSSCGKSA-N 1 3 208.349 1.980 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423165446 387948275 /nfs/dbraw/zinc/94/82/75/387948275.db2.gz XXTJBVLGEKRCCY-TUAOUCFPSA-N 1 3 228.380 1.514 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423166230 387950270 /nfs/dbraw/zinc/95/02/70/387950270.db2.gz QZIISFOYKGVMDD-KKOKHZNYSA-N 1 3 214.353 1.658 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000424277776 387950466 /nfs/dbraw/zinc/95/04/66/387950466.db2.gz AVHGUCHPUQEDAK-HTQZYQBOSA-N 1 3 210.243 1.798 20 0 BDADHO CCn1ccnc1CNC1CCC(C[NH3+])CC1 ZINC000423166021 387950921 /nfs/dbraw/zinc/95/09/21/387950921.db2.gz YYHQTLIMIFRIGU-UHFFFAOYSA-N 1 3 236.363 1.510 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176497 387961206 /nfs/dbraw/zinc/96/12/06/387961206.db2.gz GCQWOMJNJXVTCQ-XVIXHAIJSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423175236 387961696 /nfs/dbraw/zinc/96/16/96/387961696.db2.gz DMIXETXWUMXWIN-XUXIUFHCSA-N 1 3 240.391 1.658 20 0 BDADHO CCOC[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245599170 387964106 /nfs/dbraw/zinc/96/41/06/387964106.db2.gz IHPXWKKVGKMWRH-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCOC[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000245599170 387964111 /nfs/dbraw/zinc/96/41/11/387964111.db2.gz IHPXWKKVGKMWRH-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCCC[C@H]1CCO ZINC000245581643 387964391 /nfs/dbraw/zinc/96/43/91/387964391.db2.gz CPJFBVIWRCCDNV-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCCC[C@H]1CCO ZINC000245581643 387964396 /nfs/dbraw/zinc/96/43/96/387964396.db2.gz CPJFBVIWRCCDNV-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)C(C)C ZINC000423179207 387966830 /nfs/dbraw/zinc/96/68/30/387966830.db2.gz JFEZYOUJDDYFBG-AEBFUODCSA-N 1 3 240.391 1.655 20 0 BDADHO C1CC([C@@H]2CC[C@@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000423185393 387969030 /nfs/dbraw/zinc/96/90/30/387969030.db2.gz JFIFRYGEGJYWTD-AGIUHOORSA-N 1 3 208.349 1.907 20 0 BDADHO COc1cccc2c1CC[C@@H](NCC[NH3+])C2 ZINC000423193868 387979469 /nfs/dbraw/zinc/97/94/69/387979469.db2.gz XGWIEYNUAVEJNM-LLVKDONJSA-N 1 3 220.316 1.101 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH2+]C)C12CCCC2 ZINC000423202216 387987695 /nfs/dbraw/zinc/98/76/95/387987695.db2.gz QHVZLNJOZAGVPF-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO CCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000238850437 135078611 /nfs/dbraw/zinc/07/86/11/135078611.db2.gz BOMXMNITEGNHQL-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+](C)CC1(CO)CC1 ZINC000446068177 387993067 /nfs/dbraw/zinc/99/30/67/387993067.db2.gz FDNLHTFBEDACMY-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+](C)CC1(CO)CC1 ZINC000446068177 387993068 /nfs/dbraw/zinc/99/30/68/387993068.db2.gz FDNLHTFBEDACMY-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000423207735 387993976 /nfs/dbraw/zinc/99/39/76/387993976.db2.gz DJSMQJHWLUEVMV-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO FCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000423215134 387997869 /nfs/dbraw/zinc/99/78/69/387997869.db2.gz NLKILTPBWONLSC-SRVKXCTJSA-N 1 3 214.328 1.856 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCCNC1)C1CCCC1 ZINC000423217093 387998989 /nfs/dbraw/zinc/99/89/89/387998989.db2.gz SVMSTYPRUDFORY-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@H](NC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000423217093 387998993 /nfs/dbraw/zinc/99/89/93/387998993.db2.gz SVMSTYPRUDFORY-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423218661 387999883 /nfs/dbraw/zinc/99/98/83/387999883.db2.gz SFGPWMJKNDVCMX-AVGNSLFASA-N 1 3 228.380 1.779 20 0 BDADHO CCC1(CC)[C@H](NCC[C@H](C)[NH3+])C[C@@H]1OC ZINC000423227615 388011451 /nfs/dbraw/zinc/01/14/51/388011451.db2.gz WJXBWLIMSBZZRW-TUAOUCFPSA-N 1 3 228.380 1.907 20 0 BDADHO CCC1(CC)[C@H]([NH2+]CC[C@H](C)N)C[C@@H]1OC ZINC000423227615 388011454 /nfs/dbraw/zinc/01/14/54/388011454.db2.gz WJXBWLIMSBZZRW-TUAOUCFPSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@H](NCC[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423228398 388013198 /nfs/dbraw/zinc/01/31/98/388013198.db2.gz ZLROMBISVFFDIM-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO CC[C@H]([NH2+]CC[C@H](C)N)C1(C(=O)OC)CCC1 ZINC000423228398 388013202 /nfs/dbraw/zinc/01/32/02/388013202.db2.gz ZLROMBISVFFDIM-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO C[NH2+]CCNC1CCC(CSC)CC1 ZINC000423249841 388032159 /nfs/dbraw/zinc/03/21/59/388032159.db2.gz SNIKNSOVQHCMBV-UHFFFAOYSA-N 1 3 216.394 1.717 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000423266174 388044382 /nfs/dbraw/zinc/04/43/82/388044382.db2.gz CYJIOESYAFTMEY-QCNOEVLYSA-N 1 3 228.380 1.491 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000423266174 388044386 /nfs/dbraw/zinc/04/43/86/388044386.db2.gz CYJIOESYAFTMEY-QCNOEVLYSA-N 1 3 228.380 1.491 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](N)c1ccccc1 ZINC000423254101 388035439 /nfs/dbraw/zinc/03/54/39/388035439.db2.gz XCYIHHKLBGNCAY-YUELXQCFSA-N 1 3 247.386 1.664 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2cccnc2)CC1 ZINC000082474672 388035407 /nfs/dbraw/zinc/03/54/07/388035407.db2.gz LPNPWACMNNKINN-NSHDSACASA-N 1 3 219.332 1.641 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423270007 388036373 /nfs/dbraw/zinc/03/63/73/388036373.db2.gz WGGOFZRSVMWWCH-UHTWSYAYSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255631 388036621 /nfs/dbraw/zinc/03/66/21/388036621.db2.gz AKHHDPNJLBFJQV-VXGBXAGGSA-N 1 3 236.363 1.460 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000423255944 388036657 /nfs/dbraw/zinc/03/66/57/388036657.db2.gz AZLCAOILMVFPTN-QJPTWQEYSA-N 1 3 214.353 1.247 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423264682 388042572 /nfs/dbraw/zinc/04/25/72/388042572.db2.gz QATKILUAOQTYHO-DDHJBXDOSA-N 1 3 214.353 1.515 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCn2cccn2)[C@@H](C)C1 ZINC000246292834 388029216 /nfs/dbraw/zinc/02/92/16/388029216.db2.gz CNRNDYLSULFQQC-STQMWFEESA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@H](NCCn2cccn2)[C@@H](C)C1 ZINC000246292834 388029220 /nfs/dbraw/zinc/02/92/20/388029220.db2.gz CNRNDYLSULFQQC-STQMWFEESA-N 1 3 236.363 1.203 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](N)c1ccccc1 ZINC000423246472 388029800 /nfs/dbraw/zinc/02/98/00/388029800.db2.gz KCVFCUZBPNBVKW-GMXVVIOVSA-N 1 3 221.348 1.402 20 0 BDADHO N[C@@H](CN[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423249332 388031915 /nfs/dbraw/zinc/03/19/15/388031915.db2.gz ORRZXNSMHJUKDK-KKUMJFAQSA-N 1 3 247.386 1.794 20 0 BDADHO C[C@@H](Cc1ccoc1)N[C@@H](C[NH3+])C1CC1 ZINC000423280861 388062436 /nfs/dbraw/zinc/06/24/36/388062436.db2.gz SYYLSJIXYCKHAK-CABZTGNLSA-N 1 3 208.305 1.538 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H](C)[C@H](C)OC ZINC000423282216 388064367 /nfs/dbraw/zinc/06/43/67/388064367.db2.gz CLFXMKJIZFPLCG-UWVGGRQHSA-N 1 3 202.342 1.517 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@H](C)OC ZINC000423282216 388064370 /nfs/dbraw/zinc/06/43/70/388064370.db2.gz CLFXMKJIZFPLCG-UWVGGRQHSA-N 1 3 202.342 1.517 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H](C)C1CCOCC1 ZINC000423284668 388067367 /nfs/dbraw/zinc/06/73/67/388067367.db2.gz YRGKTKIMAMHYRH-GHMZBOCLSA-N 1 3 214.353 1.247 20 0 BDADHO CCOC(=O)[C@@H](CC)N1CCC[C@H](CC[NH3+])C1 ZINC000084105467 388072302 /nfs/dbraw/zinc/07/23/02/388072302.db2.gz BITQYMXXLXTMAY-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000084221733 388075285 /nfs/dbraw/zinc/07/52/85/388075285.db2.gz VCKJGWHCNOEEHO-OLZOCXBDSA-N 1 3 219.332 1.607 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385519 388078241 /nfs/dbraw/zinc/07/82/41/388078241.db2.gz HVSZJRVVXBQCTK-AVGNSLFASA-N 1 3 224.348 1.239 20 0 BDADHO COc1cccc2c1CC[C@@H]2NC[C@H](C)C[NH3+] ZINC000423297298 388079079 /nfs/dbraw/zinc/07/90/79/388079079.db2.gz JRKCQDAVKVCULF-MFKMUULPSA-N 1 3 234.343 1.867 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423297772 388080318 /nfs/dbraw/zinc/08/03/18/388080318.db2.gz LUZRTBNYJCMJHA-AGIUHOORSA-N 1 3 227.396 1.754 20 0 BDADHO CC[C@@H](Cn1cncn1)N[C@H](C[NH3+])CC(C)C ZINC000423267519 388045737 /nfs/dbraw/zinc/04/57/37/388045737.db2.gz TWHVZEMSLOQNRH-RYUDHWBXSA-N 1 3 239.367 1.020 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@H](C)[C@H]1CCCO1 ZINC000423272520 388050764 /nfs/dbraw/zinc/05/07/64/388050764.db2.gz ZAPXQQUABKEOMZ-IJLUTSLNSA-N 1 3 214.353 1.517 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000451568690 388282020 /nfs/dbraw/zinc/28/20/20/388282020.db2.gz NYSOUUOTGZKZGV-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000451568690 388282021 /nfs/dbraw/zinc/28/20/21/388282021.db2.gz NYSOUUOTGZKZGV-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN2C)C1(C)C ZINC000451489867 388277263 /nfs/dbraw/zinc/27/72/63/388277263.db2.gz HSUUNVYYKCXPNG-YNEHKIRRSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@@H+]2C)C1(C)C ZINC000451489867 388277265 /nfs/dbraw/zinc/27/72/65/388277265.db2.gz HSUUNVYYKCXPNG-YNEHKIRRSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@@H](NCC[C@@H]2CCC[N@H+]2C)C1(C)C ZINC000451489867 388277266 /nfs/dbraw/zinc/27/72/66/388277266.db2.gz HSUUNVYYKCXPNG-YNEHKIRRSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCN2C)C1(C)C ZINC000451489864 388277282 /nfs/dbraw/zinc/27/72/82/388277282.db2.gz HSUUNVYYKCXPNG-RWMBFGLXSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@H](NCC[C@@H]2CCC[N@@H+]2C)C1(C)C ZINC000451489864 388277283 /nfs/dbraw/zinc/27/72/83/388277283.db2.gz HSUUNVYYKCXPNG-RWMBFGLXSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@@H]1C[C@H](NCC[C@@H]2CCC[N@H+]2C)C1(C)C ZINC000451489864 388277285 /nfs/dbraw/zinc/27/72/85/388277285.db2.gz HSUUNVYYKCXPNG-RWMBFGLXSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCC[NH2+]C[C@H]1CCCNC1 ZINC000087646237 135160894 /nfs/dbraw/zinc/16/08/94/135160894.db2.gz MEFNNFOZKHBTLR-LBPRGKRZSA-N 1 3 214.353 1.391 20 0 BDADHO COc1ccccc1C[C@@H](C)N[C@@H](C)C[NH3+] ZINC000234876076 388361672 /nfs/dbraw/zinc/36/16/72/388361672.db2.gz WRAPVMHIPPPZGR-MNOVXSKESA-N 1 3 222.332 1.563 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000300386554 388365150 /nfs/dbraw/zinc/36/51/50/388365150.db2.gz RPHXZEYYFCFFSL-WISYIIOYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000300386554 388365152 /nfs/dbraw/zinc/36/51/52/388365152.db2.gz RPHXZEYYFCFFSL-WISYIIOYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1OCC[C@H]1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300386554 388365154 /nfs/dbraw/zinc/36/51/54/388365154.db2.gz RPHXZEYYFCFFSL-WISYIIOYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)CO ZINC000086500951 388368094 /nfs/dbraw/zinc/36/80/94/388368094.db2.gz LLWSBTZKBUWYNG-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO NC[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965007 388395709 /nfs/dbraw/zinc/39/57/09/388395709.db2.gz PYNJJRIFSKPJHT-UWVGGRQHSA-N 1 3 218.291 1.702 20 0 BDADHO NC[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965007 388395711 /nfs/dbraw/zinc/39/57/11/388395711.db2.gz PYNJJRIFSKPJHT-UWVGGRQHSA-N 1 3 218.291 1.702 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000300965007 388395713 /nfs/dbraw/zinc/39/57/13/388395713.db2.gz PYNJJRIFSKPJHT-UWVGGRQHSA-N 1 3 218.291 1.702 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CCCCO1 ZINC000300864654 388399450 /nfs/dbraw/zinc/39/94/50/388399450.db2.gz PTWFLDSUKLTPNM-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000300864654 388399451 /nfs/dbraw/zinc/39/94/51/388399451.db2.gz PTWFLDSUKLTPNM-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CCCCO1 ZINC000300864650 388399622 /nfs/dbraw/zinc/39/96/22/388399622.db2.gz PTWFLDSUKLTPNM-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000300864650 388399624 /nfs/dbraw/zinc/39/96/24/388399624.db2.gz PTWFLDSUKLTPNM-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)C2CCC2)CC1 ZINC000316230287 388407212 /nfs/dbraw/zinc/40/72/12/388407212.db2.gz SOYHDVKVGBGHKK-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCN ZINC000307596967 388424086 /nfs/dbraw/zinc/42/40/86/388424086.db2.gz MYWILWJLRKCTRR-JSGCOSHPSA-N 1 3 233.359 1.055 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213040 388433192 /nfs/dbraw/zinc/43/31/92/388433192.db2.gz TVNYUCQZQVWYAC-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213040 388433193 /nfs/dbraw/zinc/43/31/93/388433193.db2.gz TVNYUCQZQVWYAC-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](CC(C)C)C1 ZINC000573213040 388433194 /nfs/dbraw/zinc/43/31/94/388433194.db2.gz TVNYUCQZQVWYAC-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000397594458 388482463 /nfs/dbraw/zinc/48/24/63/388482463.db2.gz COASDONWYIQMNK-RYUDHWBXSA-N 1 3 240.391 1.467 20 0 BDADHO CN(C)Cc1cccc(C(=O)N(C)CCC[NH3+])c1 ZINC000646782385 388501487 /nfs/dbraw/zinc/50/14/87/388501487.db2.gz UJCOCQJCBAWYIH-UHFFFAOYSA-N 1 3 249.358 1.169 20 0 BDADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccncc1 ZINC000344298621 388505921 /nfs/dbraw/zinc/50/59/21/388505921.db2.gz CRGNZAJZXPLPGU-GFCCVEGCSA-N 1 3 231.343 1.994 20 0 BDADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccncc1 ZINC000344298621 388505923 /nfs/dbraw/zinc/50/59/23/388505923.db2.gz CRGNZAJZXPLPGU-GFCCVEGCSA-N 1 3 231.343 1.994 20 0 BDADHO CC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238502 388602020 /nfs/dbraw/zinc/60/20/20/388602020.db2.gz HFDQNMAJQJCJLB-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238502 388602021 /nfs/dbraw/zinc/60/20/21/388602021.db2.gz HFDQNMAJQJCJLB-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](NCCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000379276428 388604279 /nfs/dbraw/zinc/60/42/79/388604279.db2.gz ZVASANHKHHWWOT-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H](NCCC[NH+](C)C)[C@H]1CCCCO1 ZINC000379276429 388605030 /nfs/dbraw/zinc/60/50/30/388605030.db2.gz ZVASANHKHHWWOT-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367626633 388566598 /nfs/dbraw/zinc/56/65/98/388566598.db2.gz PPIRKHCEDNOUDZ-CMPLNLGQSA-N 1 3 236.363 1.717 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000528757992 388567135 /nfs/dbraw/zinc/56/71/35/388567135.db2.gz DNAZBQWXDKXHNG-ODXJTPSBSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000528757992 388567137 /nfs/dbraw/zinc/56/71/37/388567137.db2.gz DNAZBQWXDKXHNG-ODXJTPSBSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000528757992 388567141 /nfs/dbraw/zinc/56/71/41/388567141.db2.gz DNAZBQWXDKXHNG-ODXJTPSBSA-N 1 3 240.391 1.872 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(CCCOC)C1 ZINC000081516128 388579404 /nfs/dbraw/zinc/57/94/04/388579404.db2.gz CZAHYMQJPNJCLS-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(CCCOC)C1 ZINC000081516128 388579406 /nfs/dbraw/zinc/57/94/06/388579406.db2.gz CZAHYMQJPNJCLS-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CCCOC)C1 ZINC000081516128 388579407 /nfs/dbraw/zinc/57/94/07/388579407.db2.gz CZAHYMQJPNJCLS-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CCCOC)C1 ZINC000081516128 388579410 /nfs/dbraw/zinc/57/94/10/388579410.db2.gz CZAHYMQJPNJCLS-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)CNC2CC2)cc1 ZINC000521610721 388618670 /nfs/dbraw/zinc/61/86/70/388618670.db2.gz OJLGPPWCTRSGQL-SNVBAGLBSA-N 1 3 247.342 1.075 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000328344912 388625273 /nfs/dbraw/zinc/62/52/73/388625273.db2.gz LWIRWLIWONEWIF-RFQIPJPRSA-N 1 3 238.375 1.079 20 0 BDADHO COc1ccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)cn1 ZINC000530221873 388632897 /nfs/dbraw/zinc/63/28/97/388632897.db2.gz PIFLHQBXFJIOSO-DGCLKSJQSA-N 1 3 249.358 1.220 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@H]21)[C@H]1CC[NH2+]C1 ZINC000251086984 388641623 /nfs/dbraw/zinc/64/16/23/388641623.db2.gz HVSZJRVVXBQCTK-UPJWGTAASA-N 1 3 224.348 1.239 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](CC)COC)C1 ZINC000247017775 388658097 /nfs/dbraw/zinc/65/80/97/388658097.db2.gz LPHFMGBGUXOLAQ-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](CC)COC)C1 ZINC000247017775 388658100 /nfs/dbraw/zinc/65/81/00/388658100.db2.gz LPHFMGBGUXOLAQ-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](CC)COC)C1 ZINC000247017775 388658103 /nfs/dbraw/zinc/65/81/03/388658103.db2.gz LPHFMGBGUXOLAQ-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000224436848 388663819 /nfs/dbraw/zinc/66/38/19/388663819.db2.gz JHYCFXPLYKIYBW-YNEHKIRRSA-N 1 3 228.380 1.874 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(C3CC3)C2)C1 ZINC000250660255 388738552 /nfs/dbraw/zinc/73/85/52/388738552.db2.gz POWJVUFHJJXYND-UTUOFQBUSA-N 1 3 223.364 1.083 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251529482 388748554 /nfs/dbraw/zinc/74/85/54/388748554.db2.gz XLMCKLCVFNAMPS-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251529482 388748555 /nfs/dbraw/zinc/74/85/55/388748555.db2.gz XLMCKLCVFNAMPS-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCCOC2)C1 ZINC000251529482 388748558 /nfs/dbraw/zinc/74/85/58/388748558.db2.gz XLMCKLCVFNAMPS-NWDGAFQWSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCc2cccc(CO)c2)C1 ZINC000227454443 388751520 /nfs/dbraw/zinc/75/15/20/388751520.db2.gz IDCHZVLGQNBJRM-ZIAGYGMSSA-N 1 3 234.343 1.538 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCc2cccc(CO)c2)C1 ZINC000227454468 388751577 /nfs/dbraw/zinc/75/15/77/388751577.db2.gz IDCHZVLGQNBJRM-KBPBESRZSA-N 1 3 234.343 1.538 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCO ZINC000229109115 388779946 /nfs/dbraw/zinc/77/99/46/388779946.db2.gz WGXCUJALEJBVFY-RYUDHWBXSA-N 1 3 214.353 1.256 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000252780013 388783257 /nfs/dbraw/zinc/78/32/57/388783257.db2.gz MAACSOSLJVWSMA-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000252780013 388783262 /nfs/dbraw/zinc/78/32/62/388783262.db2.gz MAACSOSLJVWSMA-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)C)CCN1C ZINC000129553732 388851511 /nfs/dbraw/zinc/85/15/11/388851511.db2.gz XSCJRQGGNYXKLC-NEPJUHHUSA-N 1 3 213.369 1.010 20 0 BDADHO CC[C@@H]1CCC[C@@H]1NC[C@]1(COC)CCC[NH2+]1 ZINC000564827804 388891371 /nfs/dbraw/zinc/89/13/71/388891371.db2.gz INSVDASERKJOPR-RDBSUJKOSA-N 1 3 240.391 1.923 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564986152 388905091 /nfs/dbraw/zinc/90/50/91/388905091.db2.gz GOUOXSNCXHZQTC-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000564986152 388905094 /nfs/dbraw/zinc/90/50/94/388905094.db2.gz GOUOXSNCXHZQTC-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COCC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000565604470 388957695 /nfs/dbraw/zinc/95/76/95/388957695.db2.gz SZTUHHQXMIAGPY-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CCC[C@H](C)[C@H](CO)[NH2+]CC[C@@H]1CCCN1C ZINC000565483655 388948261 /nfs/dbraw/zinc/94/82/61/388948261.db2.gz NCSKSVCPWADLJY-IHRRRGAJSA-N 1 3 242.407 1.857 20 0 BDADHO CCNCCC[NH2+][C@H](C)C1CCOCC1 ZINC000566088391 388984661 /nfs/dbraw/zinc/98/46/61/388984661.db2.gz KSSMMSBVMKSEJF-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CC(C)C[N@H+]1CC[C@@H](CNCC2(O)CCC2)C1 ZINC000566112326 388987909 /nfs/dbraw/zinc/98/79/09/388987909.db2.gz MTZLWPDQXVOVFK-ZDUSSCGKSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)C[N@@H+]1CC[C@@H](CNCC2(O)CCC2)C1 ZINC000566112326 388987906 /nfs/dbraw/zinc/98/79/06/388987906.db2.gz MTZLWPDQXVOVFK-ZDUSSCGKSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](C[NH2+][C@H](C)c1ccncc1)CN(C)C ZINC000293637326 389016458 /nfs/dbraw/zinc/01/64/58/389016458.db2.gz KPNCXOSCIANZHQ-VXGBXAGGSA-N 1 3 221.348 1.930 20 0 BDADHO C[C@H]1CCN(CCOc2ccccc2)C[C@@H]1C[NH3+] ZINC000167762476 134153866 /nfs/dbraw/zinc/15/38/66/134153866.db2.gz HCKZWULLMOEZIX-KBPBESRZSA-N 1 3 248.370 1.982 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCO1 ZINC000168934980 134248753 /nfs/dbraw/zinc/24/87/53/134248753.db2.gz WJQADPZNLFFCHD-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCO1 ZINC000168934980 134248754 /nfs/dbraw/zinc/24/87/54/134248754.db2.gz WJQADPZNLFFCHD-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282115 134274492 /nfs/dbraw/zinc/27/44/92/134274492.db2.gz USOUBFKDIALJKA-XDQVBPFNSA-N 1 3 222.376 1.964 20 0 BDADHO CC(C)C[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219316472 134281303 /nfs/dbraw/zinc/28/13/03/134281303.db2.gz ZOPQSNFSXMMOAI-GFCCVEGCSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)c1cccc(CN(C)C)c1 ZINC000178641093 134312487 /nfs/dbraw/zinc/31/24/87/134312487.db2.gz MBEOLDYJPOGCJL-NSHDSACASA-N 1 3 249.358 1.215 20 0 BDADHO C[C@H]1C[N@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000179243093 134318546 /nfs/dbraw/zinc/31/85/46/134318546.db2.gz WSHGXOGVRNIDLX-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000179243093 134318547 /nfs/dbraw/zinc/31/85/47/134318547.db2.gz WSHGXOGVRNIDLX-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222022942 134329118 /nfs/dbraw/zinc/32/91/18/134329118.db2.gz DLZNKUWRCQXJRF-LOWDOPEQSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000222022942 134329119 /nfs/dbraw/zinc/32/91/19/134329119.db2.gz DLZNKUWRCQXJRF-LOWDOPEQSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@@H](C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248439411 135008858 /nfs/dbraw/zinc/00/88/58/135008858.db2.gz UCXHGHSCVIZLOD-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H](C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000248439411 135008859 /nfs/dbraw/zinc/00/88/59/135008859.db2.gz UCXHGHSCVIZLOD-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000249088647 135032218 /nfs/dbraw/zinc/03/22/18/135032218.db2.gz JUWYQFPONZWPOL-RFGFWPKPSA-N 1 3 240.391 1.874 20 0 BDADHO COCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250442163 135055086 /nfs/dbraw/zinc/05/50/86/135055086.db2.gz BCBUIKCBMWKLRF-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO COCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250442163 135055087 /nfs/dbraw/zinc/05/50/87/135055087.db2.gz BCBUIKCBMWKLRF-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO COCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000250442163 135055088 /nfs/dbraw/zinc/05/50/88/135055088.db2.gz BCBUIKCBMWKLRF-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO Cn1cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250628247 135057126 /nfs/dbraw/zinc/05/71/26/135057126.db2.gz ZMGNWTREFRXLQG-KBPBESRZSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250628247 135057129 /nfs/dbraw/zinc/05/71/29/135057129.db2.gz ZMGNWTREFRXLQG-KBPBESRZSA-N 1 3 248.374 1.179 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251177963 135065293 /nfs/dbraw/zinc/06/52/93/135065293.db2.gz GPGGIUXHDOHASW-YVECIDJPSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C ZINC000251139107 135065328 /nfs/dbraw/zinc/06/53/28/135065328.db2.gz WCDHLTYOIBGRKE-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C ZINC000251139107 135065330 /nfs/dbraw/zinc/06/53/30/135065330.db2.gz WCDHLTYOIBGRKE-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251214570 135065839 /nfs/dbraw/zinc/06/58/39/135065839.db2.gz LQGUNSNPUSZUJB-ZOBORPQBSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251214570 135065840 /nfs/dbraw/zinc/06/58/40/135065840.db2.gz LQGUNSNPUSZUJB-ZOBORPQBSA-N 1 3 238.375 1.506 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCOC1 ZINC000251285222 135068083 /nfs/dbraw/zinc/06/80/83/135068083.db2.gz FELMBQAYNXJPKN-NEPJUHHUSA-N 1 3 214.353 1.328 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@H]3CCSC3)CC[N@@H+]2C1 ZINC000251420254 135069649 /nfs/dbraw/zinc/06/96/49/135069649.db2.gz SDIQOBDQBHHNPB-SDDRHHMPSA-N 1 3 226.389 1.708 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@H]3CCSC3)CC[N@H+]2C1 ZINC000251420254 135069650 /nfs/dbraw/zinc/06/96/50/135069650.db2.gz SDIQOBDQBHHNPB-SDDRHHMPSA-N 1 3 226.389 1.708 20 0 BDADHO CCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000238850437 135078610 /nfs/dbraw/zinc/07/86/10/135078610.db2.gz BOMXMNITEGNHQL-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CC(C)N(CCOCC[NH3+])Cc1cccs1 ZINC000086435513 135084142 /nfs/dbraw/zinc/08/41/42/135084142.db2.gz VPXXNSDGKPWCMZ-UHFFFAOYSA-N 1 3 242.388 1.934 20 0 BDADHO CCOCCCN(C)CC(C)(C)C[NH3+] ZINC000086638098 135091537 /nfs/dbraw/zinc/09/15/37/135091537.db2.gz AIQDVKXOKBSHHH-UHFFFAOYSA-N 1 3 202.342 1.330 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252703274 135097906 /nfs/dbraw/zinc/09/79/06/135097906.db2.gz PNDZPQWNBJDJML-MROQNXINSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252703274 135097908 /nfs/dbraw/zinc/09/79/08/135097908.db2.gz PNDZPQWNBJDJML-MROQNXINSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000252703274 135097910 /nfs/dbraw/zinc/09/79/10/135097910.db2.gz PNDZPQWNBJDJML-MROQNXINSA-N 1 3 226.364 1.220 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252716810 135102129 /nfs/dbraw/zinc/10/21/29/135102129.db2.gz ZECGGVQOYGZCFW-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H](C)OC)C1 ZINC000252716810 135102130 /nfs/dbraw/zinc/10/21/30/135102130.db2.gz ZECGGVQOYGZCFW-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H](C)OC)C1 ZINC000252716810 135102131 /nfs/dbraw/zinc/10/21/31/135102131.db2.gz ZECGGVQOYGZCFW-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252716809 135102951 /nfs/dbraw/zinc/10/29/51/135102951.db2.gz ZECGGVQOYGZCFW-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H](C)OC)C1 ZINC000252716809 135102953 /nfs/dbraw/zinc/10/29/53/135102953.db2.gz ZECGGVQOYGZCFW-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@H](C)OC)C1 ZINC000252716809 135102955 /nfs/dbraw/zinc/10/29/55/135102955.db2.gz ZECGGVQOYGZCFW-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000252765628 135108099 /nfs/dbraw/zinc/10/80/99/135108099.db2.gz FWEUKUPVMIDZJJ-VZLIPTOUSA-N 1 3 232.327 1.898 20 0 BDADHO C[NH2+]CCCN(C)CC[C@@H]1CCCO1 ZINC000087472623 135143422 /nfs/dbraw/zinc/14/34/22/135143422.db2.gz ZCINQJHQCAUOLJ-NSHDSACASA-N 1 3 200.326 1.097 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@@H]1CCCNC1 ZINC000261530094 135157602 /nfs/dbraw/zinc/15/76/02/135157602.db2.gz BXASNGXRXZLAIF-LLVKDONJSA-N 1 3 214.353 1.248 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667677 135162956 /nfs/dbraw/zinc/16/29/56/135162956.db2.gz LYHXPYPYOBLPQZ-SDDRHHMPSA-N 1 3 228.405 1.989 20 0 BDADHO CO[C@H](C)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000261534980 135168457 /nfs/dbraw/zinc/16/84/57/135168457.db2.gz VBSACFWNWZXJHX-ICCXJUOJSA-N 1 3 220.316 1.756 20 0 BDADHO C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@@H]2CCOC2)C1 ZINC000087784580 135169653 /nfs/dbraw/zinc/16/96/53/135169653.db2.gz SHPHRNBJMHHZFP-VOAKCMCISA-N 1 3 224.348 1.286 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000261535534 135169864 /nfs/dbraw/zinc/16/98/64/135169864.db2.gz OMAXGHYIUQOOGE-QWRGUYRKSA-N 1 3 228.405 1.717 20 0 BDADHO COc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000261535867 135170408 /nfs/dbraw/zinc/17/04/08/135170408.db2.gz PMLPSDMUCDYHGL-ZJUUUORDSA-N 1 3 208.305 1.521 20 0 BDADHO CC(C)OCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000261536436 135172589 /nfs/dbraw/zinc/17/25/89/135172589.db2.gz RRVHJKVWZJQLJN-LLVKDONJSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)OCC[NH2+][C@@H]1CCNCC1(C)C ZINC000261536436 135172591 /nfs/dbraw/zinc/17/25/91/135172591.db2.gz RRVHJKVWZJQLJN-LLVKDONJSA-N 1 3 214.353 1.389 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000261536779 135173144 /nfs/dbraw/zinc/17/31/44/135173144.db2.gz SWLOTMUTYOIZHX-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)(O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000261538815 135176954 /nfs/dbraw/zinc/17/69/54/135176954.db2.gz ZKRPKVJKXJTCPT-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCCNCC1 ZINC000261538932 135177283 /nfs/dbraw/zinc/17/72/83/135177283.db2.gz ZVZODYJYCKYJOZ-NEPJUHHUSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@@](C)(O)CN[C@@H]1CCC[NH2+]CC1 ZINC000261538932 135177284 /nfs/dbraw/zinc/17/72/84/135177284.db2.gz ZVZODYJYCKYJOZ-NEPJUHHUSA-N 1 3 214.353 1.125 20 0 BDADHO c1ccc(CCN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261542155 135182791 /nfs/dbraw/zinc/18/27/91/135182791.db2.gz BWNDORPPFRHSFD-CABCVRRESA-N 1 3 230.355 1.770 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000261542498 135183311 /nfs/dbraw/zinc/18/33/11/135183311.db2.gz OVOSWJOJOOLFKC-OCCSQVGLSA-N 1 3 237.391 1.155 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccccc1 ZINC000084217389 135192463 /nfs/dbraw/zinc/19/24/63/135192463.db2.gz YOKGSJPKNLAOBQ-STQMWFEESA-N 1 3 204.317 1.904 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000084216861 135192924 /nfs/dbraw/zinc/19/29/24/135192924.db2.gz XLHLPRFAKBDXPV-QWHCGFSZSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261561089 135201883 /nfs/dbraw/zinc/20/18/83/135201883.db2.gz VBLMUKKOSUIYLL-KBPBESRZSA-N 1 3 240.391 1.910 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000261547193 135239870 /nfs/dbraw/zinc/23/98/70/135239870.db2.gz LZYIVMFMSZCCCV-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000261547193 135239872 /nfs/dbraw/zinc/23/98/72/135239872.db2.gz LZYIVMFMSZCCCV-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628490 135241733 /nfs/dbraw/zinc/24/17/33/135241733.db2.gz DJSYHWMPLNAKKS-BXUZGUMPSA-N 1 3 233.359 1.971 20 0 BDADHO C[C@@H](N)[C@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628490 135241734 /nfs/dbraw/zinc/24/17/34/135241734.db2.gz DJSYHWMPLNAKKS-BXUZGUMPSA-N 1 3 233.359 1.971 20 0 BDADHO COC[C@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261635936 135241988 /nfs/dbraw/zinc/24/19/88/135241988.db2.gz FHHVENLPVHAKPQ-CFVMTHIKSA-N 1 3 248.370 1.696 20 0 BDADHO COC[C@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261635936 135241990 /nfs/dbraw/zinc/24/19/90/135241990.db2.gz FHHVENLPVHAKPQ-CFVMTHIKSA-N 1 3 248.370 1.696 20 0 BDADHO COC[C@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261635936 135241992 /nfs/dbraw/zinc/24/19/92/135241992.db2.gz FHHVENLPVHAKPQ-CFVMTHIKSA-N 1 3 248.370 1.696 20 0 BDADHO Cc1cc(CNC[C@@H]2CC[NH2+][C@H](C)C2)on1 ZINC000261728679 135248465 /nfs/dbraw/zinc/24/84/65/135248465.db2.gz ODOKIPLFGAXXRU-MWLCHTKSSA-N 1 3 223.320 1.461 20 0 BDADHO C[C@H](CNC1=[NH+]CCCN1)N1CCCC[C@@H]1C ZINC000261872598 135258684 /nfs/dbraw/zinc/25/86/84/135258684.db2.gz PDCCTNXEGVWDJD-NWDGAFQWSA-N 1 3 238.379 1.188 20 0 BDADHO C[C@]1(CN2CC[C@@H]([C@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028451 135273698 /nfs/dbraw/zinc/27/36/98/135273698.db2.gz NUTJSLOUFBOJST-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@@H]1C ZINC000262030878 135273912 /nfs/dbraw/zinc/27/39/12/135273912.db2.gz XDKRHSCEZAEDFG-MELADBBJSA-N 1 3 239.407 1.401 20 0 BDADHO N[C@@H](CC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342608250 135302851 /nfs/dbraw/zinc/30/28/51/135302851.db2.gz POOAWBGGFCHXKT-LBPRGKRZSA-N 1 3 247.342 1.074 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000342607392 135303021 /nfs/dbraw/zinc/30/30/21/135303021.db2.gz RWAMHLBMILFIKC-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342607392 135303022 /nfs/dbraw/zinc/30/30/22/135303022.db2.gz RWAMHLBMILFIKC-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO NC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000262757963 135317576 /nfs/dbraw/zinc/31/75/76/135317576.db2.gz FAEJVLVDHGRYEL-QWRGUYRKSA-N 1 3 239.363 1.034 20 0 BDADHO c1ccc2c(c1)CC[C@@H](NCC1C[NH2+]C1)C2 ZINC000335551581 136097905 /nfs/dbraw/zinc/09/79/05/136097905.db2.gz JUQVGENKFYPXFH-CQSZACIVSA-N 1 3 216.328 1.353 20 0 BDADHO c1ccc2c(c1)CC[C@@H]([NH2+]CC1CNC1)C2 ZINC000335551581 136097906 /nfs/dbraw/zinc/09/79/06/136097906.db2.gz JUQVGENKFYPXFH-CQSZACIVSA-N 1 3 216.328 1.353 20 0 BDADHO C1CC12CCC(N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000335562343 136106684 /nfs/dbraw/zinc/10/66/84/136106684.db2.gz SOVVCZGYPNQOSN-GDNZZTSVSA-N 1 3 206.333 1.517 20 0 BDADHO C[C@H]([NH3+])CCNC1Cc2ccccc2C1 ZINC000414819082 398045086 /nfs/dbraw/zinc/04/50/86/398045086.db2.gz GOLIPKXXQGYGCZ-JTQLQIEISA-N 1 3 204.317 1.481 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)CC[C@H]1C ZINC000414690016 398019741 /nfs/dbraw/zinc/01/97/41/398019741.db2.gz HFLVHVMSLWPQMG-OLZOCXBDSA-N 1 3 227.396 1.386 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000086495014 398055293 /nfs/dbraw/zinc/05/52/93/398055293.db2.gz XSGQKRSWJLWIOO-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@@H](CN[C@H](C)CC[NH+](C)C)C1CC1 ZINC000400275700 398103911 /nfs/dbraw/zinc/10/39/11/398103911.db2.gz GNHSMDTZHJCVSY-PWSUYJOCSA-N 1 3 214.353 1.341 20 0 BDADHO COCCC[N@H+](C)CCCN1CCCC1 ZINC000120412338 174215185 /nfs/dbraw/zinc/21/51/85/174215185.db2.gz PQHRIOBGLPBQLR-UHFFFAOYSA-N 1 3 214.353 1.441 20 0 BDADHO COCCC[N@@H+](C)CCCN1CCCC1 ZINC000120412338 174215187 /nfs/dbraw/zinc/21/51/87/174215187.db2.gz PQHRIOBGLPBQLR-UHFFFAOYSA-N 1 3 214.353 1.441 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCCC[C@@H]2O)C1 ZINC000393282059 487571285 /nfs/dbraw/zinc/57/12/85/487571285.db2.gz YXEIPLAHFDURTH-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000393282059 487571287 /nfs/dbraw/zinc/57/12/87/487571287.db2.gz YXEIPLAHFDURTH-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000393282059 487571291 /nfs/dbraw/zinc/57/12/91/487571291.db2.gz YXEIPLAHFDURTH-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)OCCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000336679606 167214787 /nfs/dbraw/zinc/21/47/87/167214787.db2.gz ALMQLIAUOJWWLK-RYUDHWBXSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H](C)C1 ZINC000393734087 487579396 /nfs/dbraw/zinc/57/93/96/487579396.db2.gz ADGDNNDJXJZZFX-UPJWGTAASA-N 1 3 228.380 1.275 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@H](C)C1 ZINC000393734087 487579399 /nfs/dbraw/zinc/57/93/99/487579399.db2.gz ADGDNNDJXJZZFX-UPJWGTAASA-N 1 3 228.380 1.275 20 0 BDADHO CC(C)OCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122347190 167235755 /nfs/dbraw/zinc/23/57/55/167235755.db2.gz LHPYLYUZHBXRHI-WDEREUQCSA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)OCCN[C@@](C)(C[NH3+])C(C)C ZINC000308481239 167243298 /nfs/dbraw/zinc/24/32/98/167243298.db2.gz MXCQAQYWAGKYPL-NSHDSACASA-N 1 3 202.342 1.374 20 0 BDADHO CC(C)OC[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337330325 167257276 /nfs/dbraw/zinc/25/72/76/167257276.db2.gz GNOFIBFUAZROJU-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OC[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000337330325 167257278 /nfs/dbraw/zinc/25/72/78/167257278.db2.gz GNOFIBFUAZROJU-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CS1 ZINC000086934488 487590558 /nfs/dbraw/zinc/59/05/58/487590558.db2.gz CMIGOCZCIOJUEZ-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)CS1 ZINC000086934488 487590561 /nfs/dbraw/zinc/59/05/61/487590561.db2.gz CMIGOCZCIOJUEZ-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CS1 ZINC000086934486 487590586 /nfs/dbraw/zinc/59/05/86/487590586.db2.gz CMIGOCZCIOJUEZ-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)CS1 ZINC000086934486 487590590 /nfs/dbraw/zinc/59/05/90/487590590.db2.gz CMIGOCZCIOJUEZ-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000662417622 487603985 /nfs/dbraw/zinc/60/39/85/487603985.db2.gz LZSYZATUJLBCSN-GXFFZTMASA-N 1 3 247.342 1.027 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662272248 409577752 /nfs/dbraw/zinc/57/77/52/409577752.db2.gz CWZPLHDVLLQUDN-XGUBFFRZSA-N 1 3 249.402 1.012 20 0 BDADHO CC(C)C[C@@H](N)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000650714781 410346543 /nfs/dbraw/zinc/34/65/43/410346543.db2.gz BNXQJFWYKVDETP-TZMCWYRMSA-N 1 3 242.407 1.700 20 0 BDADHO CCO[C@@H]1CN(CC2(C)CC2)C[C@H]1C[NH3+] ZINC000650714512 410347731 /nfs/dbraw/zinc/34/77/31/410347731.db2.gz JVLXZLJNPXRJFV-GHMZBOCLSA-N 1 3 212.337 1.082 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742954 410377253 /nfs/dbraw/zinc/37/72/53/410377253.db2.gz JADGOAOMJBMBCS-KQSJRHEJSA-N 1 3 210.321 1.023 20 0 BDADHO CC[C@@H](NCCC1(C[NH3+])CC1)c1ccn(C)n1 ZINC000650747042 410386084 /nfs/dbraw/zinc/38/60/84/410386084.db2.gz PXUMHAPERINJKI-LLVKDONJSA-N 1 3 236.363 1.590 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1cc2n(n1)CCC2 ZINC000650748460 410390258 /nfs/dbraw/zinc/39/02/58/410390258.db2.gz UVZBOHQTNTYCED-LLVKDONJSA-N 1 3 248.374 1.609 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)COCC1CC1 ZINC000650761317 410408990 /nfs/dbraw/zinc/40/89/90/410408990.db2.gz XLUVTHMQOLXDLD-AXFHLTTASA-N 1 3 214.353 1.517 20 0 BDADHO c1cn2c(n1)[C@@H](NCCC1CC[NH2+]CC1)CC2 ZINC000650761860 410409279 /nfs/dbraw/zinc/40/92/79/410409279.db2.gz MBVTUPYPUPOEKZ-LBPRGKRZSA-N 1 3 234.347 1.307 20 0 BDADHO C[C@H]([NH3+])CCC(=O)N(C)CCN1CCCCC1 ZINC000653274851 410555771 /nfs/dbraw/zinc/55/57/71/410555771.db2.gz QFQYCTQHBHJZQO-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2(N)CCCC2)CN1C1CC1 ZINC000665249410 410731525 /nfs/dbraw/zinc/73/15/25/410731525.db2.gz PUCQQAYLHZREKF-RYUDHWBXSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@H]1C[C@H](NCC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249410 410731529 /nfs/dbraw/zinc/73/15/29/410731529.db2.gz PUCQQAYLHZREKF-RYUDHWBXSA-N 1 3 237.391 1.473 20 0 BDADHO CO[C@H](C)[C@@H](C)NCC1([NH3+])CCCC1 ZINC000665249412 410732193 /nfs/dbraw/zinc/73/21/93/410732193.db2.gz PUFAYCXKYCDXRQ-NXEZZACHSA-N 1 3 200.326 1.271 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249412 410732198 /nfs/dbraw/zinc/73/21/98/410732198.db2.gz PUFAYCXKYCDXRQ-NXEZZACHSA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000228332331 167044483 /nfs/dbraw/zinc/04/44/83/167044483.db2.gz IEDZLQPEHCUIGZ-VXGBXAGGSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)NC(=O)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000228332331 167044486 /nfs/dbraw/zinc/04/44/86/167044486.db2.gz IEDZLQPEHCUIGZ-VXGBXAGGSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)OC[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000336762688 167265278 /nfs/dbraw/zinc/26/52/78/167265278.db2.gz OJPCDFIMYWYVBH-RYUDHWBXSA-N 1 3 216.369 1.730 20 0 BDADHO C[C@H](CCCCO)NC[C@@H]1CCCC[NH2+]1 ZINC000398503105 410969207 /nfs/dbraw/zinc/96/92/07/410969207.db2.gz CEHVUJPDQHKAHL-NEPJUHHUSA-N 1 3 214.353 1.269 20 0 BDADHO C[C@@H](CCCCO)NC[C@@H]1CCCC[NH2+]1 ZINC000398503108 410970803 /nfs/dbraw/zinc/97/08/03/410970803.db2.gz CEHVUJPDQHKAHL-RYUDHWBXSA-N 1 3 214.353 1.269 20 0 BDADHO C[C@@H](N)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000107788611 411139144 /nfs/dbraw/zinc/13/91/44/411139144.db2.gz JYMIIKSLHLEMOP-CYBMUJFWSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656193228 411199836 /nfs/dbraw/zinc/19/98/36/411199836.db2.gz ALBXDCPCBDYGIJ-MBNYWOFBSA-N 1 3 233.359 1.872 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198434 411203399 /nfs/dbraw/zinc/20/33/99/411203399.db2.gz VOQWKGCNKIUMJA-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC2(CO)CCC2)C1 ZINC000656198434 411203401 /nfs/dbraw/zinc/20/34/01/411203401.db2.gz VOQWKGCNKIUMJA-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO CCC1(CC)CC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000652338362 411204501 /nfs/dbraw/zinc/20/45/01/411204501.db2.gz XCQKFWFMVSBBSV-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CCC1(CC)CC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000652338362 411204504 /nfs/dbraw/zinc/20/45/04/411204504.db2.gz XCQKFWFMVSBBSV-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CCC1(CC)CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338362 411204508 /nfs/dbraw/zinc/20/45/08/411204508.db2.gz XCQKFWFMVSBBSV-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000656201798 411207751 /nfs/dbraw/zinc/20/77/51/411207751.db2.gz ZMYCYASFKWLMQQ-ZJUUUORDSA-N 1 3 200.326 1.128 20 0 BDADHO [NH3+]C[C@]12CCC[C@H]1CN(CCOCC1CC1)C2 ZINC000652352105 411212797 /nfs/dbraw/zinc/21/27/97/411212797.db2.gz FRAKVVBJVDILKT-KBPBESRZSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CCOCC1CC1)C2 ZINC000652352105 411212799 /nfs/dbraw/zinc/21/27/99/411212799.db2.gz FRAKVVBJVDILKT-KBPBESRZSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CCOCC1CC1)C2 ZINC000652352105 411212801 /nfs/dbraw/zinc/21/28/01/411212801.db2.gz FRAKVVBJVDILKT-KBPBESRZSA-N 1 3 238.375 1.474 20 0 BDADHO C[C@@H]1CCCN(CCOCC2CC2)[C@@H]1CC[NH3+] ZINC000652355107 411215403 /nfs/dbraw/zinc/21/54/03/411215403.db2.gz PKAQYEDWQSTPDZ-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOCC1CC1 ZINC000422884289 411233920 /nfs/dbraw/zinc/23/39/20/411233920.db2.gz DTLKUBSWKNDSAK-WCQYABFASA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)[C@H](C)O1 ZINC000423193758 411237468 /nfs/dbraw/zinc/23/74/68/411237468.db2.gz WFAXEEYSKBQQRS-NZEXEKPDSA-N 1 3 226.364 1.517 20 0 BDADHO CCC[NH2+]CCNC1CCC(COC)CC1 ZINC000423306626 411238088 /nfs/dbraw/zinc/23/80/88/411238088.db2.gz FFIUSCSVMYIKIW-UHFFFAOYSA-N 1 3 228.380 1.781 20 0 BDADHO CCOC(=O)C1CCC(N[C@H](C)C[NH2+]C)CC1 ZINC000596108761 411166433 /nfs/dbraw/zinc/16/64/33/411166433.db2.gz XVAJRSFSPHNASS-VOMCLLRMSA-N 1 3 242.363 1.306 20 0 BDADHO CCC[C@@H](N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457171 411266970 /nfs/dbraw/zinc/26/69/70/411266970.db2.gz QPTAGMNLWXTXGW-SNVBAGLBSA-N 1 3 223.324 1.003 20 0 BDADHO CCCCN(CCOC)C[C@@H]1CC[NH2+]C1 ZINC000309840486 411268611 /nfs/dbraw/zinc/26/86/11/411268611.db2.gz OOUHLQGDZIEIPF-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO CCC[C@@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467624 411279181 /nfs/dbraw/zinc/27/91/81/411279181.db2.gz PWYUXIWFKPPZFG-VHSXEESVSA-N 1 3 223.324 1.003 20 0 BDADHO C[C@H]1CNC[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC000401717634 411299234 /nfs/dbraw/zinc/29/92/34/411299234.db2.gz BXQDFEWQTLSWHH-UKRRQHHQSA-N 1 3 248.370 1.791 20 0 BDADHO Cc1nc(CC[NH2+][C@@H]2CNC[C@H](C)C2)cs1 ZINC000401800800 411334646 /nfs/dbraw/zinc/33/46/46/411334646.db2.gz MSVOIZCJERPALS-SKDRFNHKSA-N 1 3 239.388 1.582 20 0 BDADHO CC1([NH2+]C[C@@H]2CCCNC2)CCOCC1 ZINC000229894690 168063247 /nfs/dbraw/zinc/06/32/47/168063247.db2.gz WESOOELRETTXCI-LLVKDONJSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H]1CCC[N@H+](CC2CCOCC2)[C@H]1CCN ZINC000404299985 411389892 /nfs/dbraw/zinc/38/98/92/411389892.db2.gz PRSCZFWEAOYPPG-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1CCN ZINC000404299985 411389895 /nfs/dbraw/zinc/38/98/95/411389895.db2.gz PRSCZFWEAOYPPG-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)OCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404360389 411391502 /nfs/dbraw/zinc/39/15/02/411391502.db2.gz DYDWUVATLQFHTA-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404360389 411391505 /nfs/dbraw/zinc/39/15/05/411391505.db2.gz DYDWUVATLQFHTA-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404360389 411391508 /nfs/dbraw/zinc/39/15/08/411391508.db2.gz DYDWUVATLQFHTA-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CO[C@@H](CN1CC[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927432 411383910 /nfs/dbraw/zinc/38/39/10/411383910.db2.gz QKIRUHTVPFPIDK-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO COCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404427702 411396250 /nfs/dbraw/zinc/39/62/50/411396250.db2.gz MRNCJLMHBREFJU-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO COCCCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404427702 411396251 /nfs/dbraw/zinc/39/62/51/411396251.db2.gz MRNCJLMHBREFJU-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)CCN)CCO1 ZINC000414888325 411461220 /nfs/dbraw/zinc/46/12/20/411461220.db2.gz FGPJBIBYASYWOS-GRYCIOLGSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CCc1cn[nH]c1 ZINC000380969869 411404162 /nfs/dbraw/zinc/40/41/62/411404162.db2.gz FGYNNSCZUZBYHS-GFCCVEGCSA-N 1 3 224.352 1.257 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CC)C2)CO1 ZINC000657315445 411461662 /nfs/dbraw/zinc/46/16/62/411461662.db2.gz NCJXATCQGSXEBI-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@H+](CC)C2)CO1 ZINC000657315445 411461663 /nfs/dbraw/zinc/46/16/63/411461663.db2.gz NCJXATCQGSXEBI-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315445 411461666 /nfs/dbraw/zinc/46/16/66/411461666.db2.gz NCJXATCQGSXEBI-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCOC1 ZINC000397229566 411410511 /nfs/dbraw/zinc/41/05/11/411410511.db2.gz PTFPACQKMGITOB-GRYCIOLGSA-N 1 3 212.337 1.273 20 0 BDADHO CO[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226436343 411429645 /nfs/dbraw/zinc/42/96/45/411429645.db2.gz SBMKYFRDUKQKNM-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226436343 411429646 /nfs/dbraw/zinc/42/96/46/411429646.db2.gz SBMKYFRDUKQKNM-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226436343 411429647 /nfs/dbraw/zinc/42/96/47/411429647.db2.gz SBMKYFRDUKQKNM-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CCO[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1CN ZINC000405519181 411432713 /nfs/dbraw/zinc/43/27/13/411432713.db2.gz INRNRQXFAQRCDF-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1CN ZINC000405519181 411432716 /nfs/dbraw/zinc/43/27/16/411432716.db2.gz INRNRQXFAQRCDF-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]1[C@H](C)N(CC[NH2+]C(C)(C)C)CCN1C ZINC000414764748 411445256 /nfs/dbraw/zinc/44/52/56/411445256.db2.gz ZDBFJKMWDDMXTP-RYUDHWBXSA-N 1 3 227.396 1.399 20 0 BDADHO COc1ccccc1C[C@H](C)NCC[C@H](C)[NH3+] ZINC000414824188 411448217 /nfs/dbraw/zinc/44/82/17/411448217.db2.gz QHQLOWIWXBPTIS-RYUDHWBXSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccccc1C[C@H](C)[NH2+]CC[C@H](C)N ZINC000414824188 411448221 /nfs/dbraw/zinc/44/82/21/411448221.db2.gz QHQLOWIWXBPTIS-RYUDHWBXSA-N 1 3 236.359 1.953 20 0 BDADHO C[C@H]1Cc2ccccc2[C@@H]1NCCC[NH3+] ZINC000415089123 411491619 /nfs/dbraw/zinc/49/16/19/411491619.db2.gz MTEUZNRLPABENH-GXFFZTMASA-N 1 3 204.317 1.858 20 0 BDADHO CC[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483147 411529342 /nfs/dbraw/zinc/52/93/42/411529342.db2.gz KUFJLTWDULRXNI-HVUVFQHFSA-N 1 3 238.375 1.769 20 0 BDADHO CC[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483147 411529344 /nfs/dbraw/zinc/52/93/44/411529344.db2.gz KUFJLTWDULRXNI-HVUVFQHFSA-N 1 3 238.375 1.769 20 0 BDADHO CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371299445 170005651 /nfs/dbraw/zinc/00/56/51/170005651.db2.gz HAWMDVSBFFVRPD-QJPTWQEYSA-N 1 3 212.337 1.190 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOCC2CC2)[C@H](C)C1 ZINC000358078802 170012360 /nfs/dbraw/zinc/01/23/60/170012360.db2.gz DKAOYPZVBUKNAP-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOCC2CC2)[C@H](C)C1 ZINC000358078802 170012361 /nfs/dbraw/zinc/01/23/61/170012361.db2.gz DKAOYPZVBUKNAP-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000356855250 170017364 /nfs/dbraw/zinc/01/73/64/170017364.db2.gz UZYCBNVVYWJZDO-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C(C)C)C[C@H]1C ZINC000336710125 170019177 /nfs/dbraw/zinc/01/91/77/170019177.db2.gz OUVFDSAHVKAFNK-RDBSUJKOSA-N 1 3 242.407 1.808 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)C(C)C)C[C@H]1C ZINC000336710125 170019179 /nfs/dbraw/zinc/01/91/79/170019179.db2.gz OUVFDSAHVKAFNK-RDBSUJKOSA-N 1 3 242.407 1.808 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCc2cnccn2)[C@@H](C)C1 ZINC000341887057 170020910 /nfs/dbraw/zinc/02/09/10/170020910.db2.gz KEFQGJDNPRKXLA-JSGCOSHPSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@H](NCCc2cnccn2)[C@@H](C)C1 ZINC000341887057 170020911 /nfs/dbraw/zinc/02/09/11/170020911.db2.gz KEFQGJDNPRKXLA-JSGCOSHPSA-N 1 3 248.374 1.339 20 0 BDADHO OC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559773 411550846 /nfs/dbraw/zinc/55/08/46/411550846.db2.gz QSRDEZGBZBLGKI-IHRRRGAJSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559773 411550847 /nfs/dbraw/zinc/55/08/47/411550847.db2.gz QSRDEZGBZBLGKI-IHRRRGAJSA-N 1 3 238.375 1.364 20 0 BDADHO CC[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000053658913 170111779 /nfs/dbraw/zinc/11/17/79/170111779.db2.gz JWRRUIBECDRAIS-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(CC)CC ZINC000358915477 170157875 /nfs/dbraw/zinc/15/78/75/170157875.db2.gz OVFFYFKSUMMCNU-VXGBXAGGSA-N 1 3 243.395 1.221 20 0 BDADHO CC(C)C[C@@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629237 411566486 /nfs/dbraw/zinc/56/64/86/411566486.db2.gz QNPCSHOMKHONFJ-RDBSUJKOSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629237 411566489 /nfs/dbraw/zinc/56/64/89/411566489.db2.gz QNPCSHOMKHONFJ-RDBSUJKOSA-N 1 3 240.391 1.610 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000657611178 411563052 /nfs/dbraw/zinc/56/30/52/411563052.db2.gz KSEZDVZKHZGETA-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000657611178 411563054 /nfs/dbraw/zinc/56/30/54/411563054.db2.gz KSEZDVZKHZGETA-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO C(N[C@H]1CCOC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345931 411633239 /nfs/dbraw/zinc/63/32/39/411633239.db2.gz PDOPOQKHZXNFIN-KGLIPLIRSA-N 1 3 238.375 1.487 20 0 BDADHO C(N[C@H]1CCOC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345931 411633244 /nfs/dbraw/zinc/63/32/44/411633244.db2.gz PDOPOQKHZXNFIN-KGLIPLIRSA-N 1 3 238.375 1.487 20 0 BDADHO C([NH2+][C@H]1CCOC1)[C@H]1CCCN(CC2CC2)C1 ZINC000663345931 411633247 /nfs/dbraw/zinc/63/32/47/411633247.db2.gz PDOPOQKHZXNFIN-KGLIPLIRSA-N 1 3 238.375 1.487 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415158 411581204 /nfs/dbraw/zinc/58/12/04/411581204.db2.gz ALDRBSOLWOIQSS-CHWSQXEVSA-N 1 3 240.391 1.970 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+]([C@H]2COC(C)(C)C2)CC1 ZINC000660415158 411581206 /nfs/dbraw/zinc/58/12/06/411581206.db2.gz ALDRBSOLWOIQSS-CHWSQXEVSA-N 1 3 240.391 1.970 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000660416041 411581756 /nfs/dbraw/zinc/58/17/56/411581756.db2.gz NFWBPGAHXZEOBN-OLZOCXBDSA-N 1 3 244.379 1.064 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000660416041 411581757 /nfs/dbraw/zinc/58/17/57/411581757.db2.gz NFWBPGAHXZEOBN-OLZOCXBDSA-N 1 3 244.379 1.064 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616125 411608039 /nfs/dbraw/zinc/60/80/39/411608039.db2.gz GYRYAQIMWJEQFC-TZMCWYRMSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616125 411608040 /nfs/dbraw/zinc/60/80/40/411608040.db2.gz GYRYAQIMWJEQFC-TZMCWYRMSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCCOC1)C2 ZINC000660656947 411614583 /nfs/dbraw/zinc/61/45/83/411614583.db2.gz CAJOVGQFKFTEMF-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCCOC1)C2 ZINC000660656947 411614584 /nfs/dbraw/zinc/61/45/84/411614584.db2.gz CAJOVGQFKFTEMF-ZIAGYGMSSA-N 1 3 238.375 1.583 20 0 BDADHO CC1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663497316 411679747 /nfs/dbraw/zinc/67/97/47/411679747.db2.gz DOZUWXKOZNRPFM-UHFFFAOYSA-N 1 3 208.349 1.907 20 0 BDADHO CC1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663497316 411679750 /nfs/dbraw/zinc/67/97/50/411679750.db2.gz DOZUWXKOZNRPFM-UHFFFAOYSA-N 1 3 208.349 1.907 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@H](C)CCC(F)(F)F ZINC000663513532 411694187 /nfs/dbraw/zinc/69/41/87/411694187.db2.gz KZHLXOQOUQXBAQ-HTQZYQBOSA-N 1 3 212.259 1.915 20 0 BDADHO C[C@@H](C[NH+](C)C)Nc1nccc2[nH]ccc21 ZINC000663911229 411772804 /nfs/dbraw/zinc/77/28/04/411772804.db2.gz BCEDBBIAUQMVKN-VIFPVBQESA-N 1 3 218.304 1.925 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139318 412001125 /nfs/dbraw/zinc/00/11/25/412001125.db2.gz ATYGBXMJHXKGHU-KBPBESRZSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662139318 412001127 /nfs/dbraw/zinc/00/11/27/412001127.db2.gz ATYGBXMJHXKGHU-KBPBESRZSA-N 1 3 242.407 1.669 20 0 BDADHO CC[C@@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152701 412009871 /nfs/dbraw/zinc/00/98/71/412009871.db2.gz XVSRAHBGBLTJPG-DGCLKSJQSA-N 1 3 226.364 1.316 20 0 BDADHO CC[C@@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152701 412009872 /nfs/dbraw/zinc/00/98/72/412009872.db2.gz XVSRAHBGBLTJPG-DGCLKSJQSA-N 1 3 226.364 1.316 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953403 /nfs/dbraw/zinc/95/34/03/411953403.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953405 /nfs/dbraw/zinc/95/34/05/411953405.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953407 /nfs/dbraw/zinc/95/34/07/411953407.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662034514 411953410 /nfs/dbraw/zinc/95/34/10/411953410.db2.gz NPRIXJHNLGYKKI-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CO[C@@H](CN(C)CCC[NH3+])C1CCC1 ZINC000662243468 412038820 /nfs/dbraw/zinc/03/88/20/412038820.db2.gz BYBJQOGIJTUZKS-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO CC[NH2+]CC1CCN(Cc2conc2C)CC1 ZINC000662243925 412039876 /nfs/dbraw/zinc/03/98/76/412039876.db2.gz GTSXHGBXEHIESL-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO CO[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)C1CCCC1 ZINC000662244927 412041563 /nfs/dbraw/zinc/04/15/63/412041563.db2.gz PQKDDNWQQSLRBX-IACUBPJLSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662248869 412046762 /nfs/dbraw/zinc/04/67/62/412046762.db2.gz DHTKSBWJVXGOJL-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662248869 412046765 /nfs/dbraw/zinc/04/67/65/412046765.db2.gz DHTKSBWJVXGOJL-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO CCCC[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662249579 412047562 /nfs/dbraw/zinc/04/75/62/412047562.db2.gz OLZDVTXAMPIVQV-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CCCC[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662249579 412047564 /nfs/dbraw/zinc/04/75/64/412047564.db2.gz OLZDVTXAMPIVQV-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)[C@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252115 412048654 /nfs/dbraw/zinc/04/86/54/412048654.db2.gz MDHUSJSEGYTEJB-NWDGAFQWSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252115 412048659 /nfs/dbraw/zinc/04/86/59/412048659.db2.gz MDHUSJSEGYTEJB-NWDGAFQWSA-N 1 3 226.364 1.484 20 0 BDADHO CC1(C)CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255888 412051036 /nfs/dbraw/zinc/05/10/36/412051036.db2.gz SEVMSAIDQRYGPU-LLVKDONJSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(C)CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255888 412051038 /nfs/dbraw/zinc/05/10/38/412051038.db2.gz SEVMSAIDQRYGPU-LLVKDONJSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@H]3CCC4(CNC4)O3)C[C@@H]21 ZINC000662258292 412054921 /nfs/dbraw/zinc/05/49/21/412054921.db2.gz VGOKSBNDRLQILG-UTUOFQBUSA-N 1 3 236.359 1.095 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@H]3CCC4(CNC4)O3)C[C@@H]21 ZINC000662258292 412054923 /nfs/dbraw/zinc/05/49/23/412054923.db2.gz VGOKSBNDRLQILG-UTUOFQBUSA-N 1 3 236.359 1.095 20 0 BDADHO CC[C@@H]1CC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336736035 171057462 /nfs/dbraw/zinc/05/74/62/171057462.db2.gz MENJENWJKGCHTC-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000359208384 171079096 /nfs/dbraw/zinc/07/90/96/171079096.db2.gz BSKZAIULNQJQPF-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1nocc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000662270961 412062584 /nfs/dbraw/zinc/06/25/84/412062584.db2.gz COMSRNSBFTXPIW-NSHDSACASA-N 1 3 223.320 1.544 20 0 BDADHO CO[C@H](CN[C@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277792 412069291 /nfs/dbraw/zinc/06/92/91/412069291.db2.gz RYFZZJPHNOOACB-VXGBXAGGSA-N 1 3 228.380 1.765 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C ZINC000356761477 171232539 /nfs/dbraw/zinc/23/25/39/171232539.db2.gz FGFLIWMFDSXNIE-VXGBXAGGSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C ZINC000356761477 171232540 /nfs/dbraw/zinc/23/25/40/171232540.db2.gz FGFLIWMFDSXNIE-VXGBXAGGSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000251926901 171322517 /nfs/dbraw/zinc/32/25/17/171322517.db2.gz QUOUDLOVKUPYAM-SDDRHHMPSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000251926901 171322519 /nfs/dbraw/zinc/32/25/19/171322519.db2.gz QUOUDLOVKUPYAM-SDDRHHMPSA-N 1 3 241.379 1.008 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCOC2 ZINC000662314201 412095928 /nfs/dbraw/zinc/09/59/28/412095928.db2.gz BPOHKBWWHUCTSY-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCOC2 ZINC000662314205 412096449 /nfs/dbraw/zinc/09/64/49/412096449.db2.gz BPOHKBWWHUCTSY-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316744 412097726 /nfs/dbraw/zinc/09/77/26/412097726.db2.gz MKIOEENNWGMIJC-KBPBESRZSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316744 412097729 /nfs/dbraw/zinc/09/77/29/412097729.db2.gz MKIOEENNWGMIJC-KBPBESRZSA-N 1 3 240.391 1.469 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](C2CCC2)C1 ZINC000662316744 412097733 /nfs/dbraw/zinc/09/77/33/412097733.db2.gz MKIOEENNWGMIJC-KBPBESRZSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316748 412098936 /nfs/dbraw/zinc/09/89/36/412098936.db2.gz MKIOEENNWGMIJC-UONOGXRCSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662316748 412098939 /nfs/dbraw/zinc/09/89/39/412098939.db2.gz MKIOEENNWGMIJC-UONOGXRCSA-N 1 3 240.391 1.469 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C2CCC2)C1 ZINC000662316748 412098945 /nfs/dbraw/zinc/09/89/45/412098945.db2.gz MKIOEENNWGMIJC-UONOGXRCSA-N 1 3 240.391 1.469 20 0 BDADHO N[C@@H]1CN(CCC[NH+]2CCCCC2)CC[C@H]1F ZINC000662326333 412103360 /nfs/dbraw/zinc/10/33/60/412103360.db2.gz RPOAJHPREAWOKB-CHWSQXEVSA-N 1 3 243.370 1.234 20 0 BDADHO Cc1ccncc1CCN[C@H](C)C1C[NH2+]C1 ZINC000665238935 412180159 /nfs/dbraw/zinc/18/01/59/412180159.db2.gz HWIINIHWSSBDAT-LLVKDONJSA-N 1 3 219.332 1.130 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H](C)C1CNC1 ZINC000665238935 412180165 /nfs/dbraw/zinc/18/01/65/412180165.db2.gz HWIINIHWSSBDAT-LLVKDONJSA-N 1 3 219.332 1.130 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665262951 412205041 /nfs/dbraw/zinc/20/50/41/412205041.db2.gz CKSSJDGEDRLIQG-STQMWFEESA-N 1 3 222.332 1.929 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1ccoc1 ZINC000665262951 412205042 /nfs/dbraw/zinc/20/50/42/412205042.db2.gz CKSSJDGEDRLIQG-STQMWFEESA-N 1 3 222.332 1.929 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CN)O1 ZINC000665265114 412208839 /nfs/dbraw/zinc/20/88/39/412208839.db2.gz PQJSCCIVXHPZQT-XQHKEYJVSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1(F)F ZINC000665265022 412209209 /nfs/dbraw/zinc/20/92/09/412209209.db2.gz NXWNQBABLFRHPJ-OPRDCNLKSA-N 1 3 218.291 1.749 20 0 BDADHO CCC[NH2+]CCNC(=O)c1cccc2c1CNC2 ZINC000662550086 412212645 /nfs/dbraw/zinc/21/26/45/412212645.db2.gz ZXQBOZKKKOEZEN-UHFFFAOYSA-N 1 3 247.342 1.019 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000665230292 412168543 /nfs/dbraw/zinc/16/85/43/412168543.db2.gz MFSUJTXAASXYQW-ABXWRUBCSA-N 1 3 240.391 1.779 20 0 BDADHO Nc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000665232048 412170833 /nfs/dbraw/zinc/17/08/33/412170833.db2.gz FBZLAXXAPZJBCR-OCCSQVGLSA-N 1 3 233.359 1.876 20 0 BDADHO C[C@]12C[C@H]1CCC[C@@H]2NCC12CC(C1)C[NH2+]2 ZINC000665280081 412224378 /nfs/dbraw/zinc/22/43/78/412224378.db2.gz SMCFGUHXXNQVJM-FRAWFVRRSA-N 1 3 220.360 1.907 20 0 BDADHO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC12CC(C1)CN2 ZINC000665280081 412224379 /nfs/dbraw/zinc/22/43/79/412224379.db2.gz SMCFGUHXXNQVJM-FRAWFVRRSA-N 1 3 220.360 1.907 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000665281449 412226541 /nfs/dbraw/zinc/22/65/41/412226541.db2.gz COXMATQAHJLJBG-JHJVBQTASA-N 1 3 228.380 1.765 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H](OC)C1 ZINC000665298483 412246203 /nfs/dbraw/zinc/24/62/03/412246203.db2.gz WWAGENOBAOBNPH-DCAQKATOSA-N 1 3 200.326 1.142 20 0 BDADHO CCCN1CCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662845562 412319454 /nfs/dbraw/zinc/31/94/54/412319454.db2.gz UORPTWFGNPXOHR-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CNc1ccncc1 ZINC000044563145 173004229 /nfs/dbraw/zinc/00/42/29/173004229.db2.gz VFKLQFAXYQEPCP-GFCCVEGCSA-N 1 3 205.305 1.978 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CNc1ccncc1 ZINC000044563145 173004232 /nfs/dbraw/zinc/00/42/32/173004232.db2.gz VFKLQFAXYQEPCP-GFCCVEGCSA-N 1 3 205.305 1.978 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](O)CC1 ZINC000334245608 173008087 /nfs/dbraw/zinc/00/80/87/173008087.db2.gz SYCVIMHDAYTLJG-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](O)CC1 ZINC000334245608 173008088 /nfs/dbraw/zinc/00/80/88/173008088.db2.gz SYCVIMHDAYTLJG-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](CO)C1 ZINC000305635258 173026988 /nfs/dbraw/zinc/02/69/88/173026988.db2.gz GVXPOWVMAYHYKU-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](CO)C1 ZINC000305635258 173026989 /nfs/dbraw/zinc/02/69/89/173026989.db2.gz GVXPOWVMAYHYKU-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741718 173027607 /nfs/dbraw/zinc/02/76/07/173027607.db2.gz BVPULASDQNMABF-BFHYXJOUSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741718 173027610 /nfs/dbraw/zinc/02/76/10/173027610.db2.gz BVPULASDQNMABF-BFHYXJOUSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@](C)(O)CC1 ZINC000336543064 173050711 /nfs/dbraw/zinc/05/07/11/173050711.db2.gz FMLQYTZQVRCBPA-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@](C)(O)CC1 ZINC000336543064 173050713 /nfs/dbraw/zinc/05/07/13/173050713.db2.gz FMLQYTZQVRCBPA-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CC[C@H]([NH2+]CCF)[C@H]2CCC[C@H]21 ZINC000306939466 173152260 /nfs/dbraw/zinc/15/22/60/173152260.db2.gz KMAWFFWXGOEKAX-OUAUKWLOSA-N 1 3 200.301 1.418 20 0 BDADHO Cn1nccc1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367616172 173153042 /nfs/dbraw/zinc/15/30/42/173153042.db2.gz LJMKKGUEXORFJX-RDBSUJKOSA-N 1 3 248.374 1.383 20 0 BDADHO Cn1cc(C[NH2+][C@H]2CCN(C)[C@H]3CCC[C@H]32)cn1 ZINC000353401921 173153899 /nfs/dbraw/zinc/15/38/99/173153899.db2.gz IYQCVPNVWZMWSP-IHRRRGAJSA-N 1 3 248.374 1.383 20 0 BDADHO C[NH2+]CCCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000037610799 173345065 /nfs/dbraw/zinc/34/50/65/173345065.db2.gz NPUFSAMDBSQRDF-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224611791 173371207 /nfs/dbraw/zinc/37/12/07/173371207.db2.gz JBOATPLUCWCLGO-QWRGUYRKSA-N 1 3 214.378 1.281 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224611791 173371210 /nfs/dbraw/zinc/37/12/10/173371210.db2.gz JBOATPLUCWCLGO-QWRGUYRKSA-N 1 3 214.378 1.281 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCSC2)C1 ZINC000224611791 173371212 /nfs/dbraw/zinc/37/12/12/173371212.db2.gz JBOATPLUCWCLGO-QWRGUYRKSA-N 1 3 214.378 1.281 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000295180269 173388653 /nfs/dbraw/zinc/38/86/53/173388653.db2.gz HJLJVFVHADUHPA-CYBMUJFWSA-N 1 3 247.342 1.487 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000295180271 173388780 /nfs/dbraw/zinc/38/87/80/173388780.db2.gz HJLJVFVHADUHPA-ZDUSSCGKSA-N 1 3 247.342 1.487 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@H](C)NC2CC2)c1 ZINC000296241877 173389669 /nfs/dbraw/zinc/38/96/69/173389669.db2.gz CQVHVZOQOMHAGE-JTQLQIEISA-N 1 3 247.342 1.485 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357058745 174069197 /nfs/dbraw/zinc/06/91/97/174069197.db2.gz WEKRXNQXJVZTDD-NEPJUHHUSA-N 1 3 226.364 1.200 20 0 BDADHO COCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000377387930 174192928 /nfs/dbraw/zinc/19/29/28/174192928.db2.gz CEGLWWKBMAFZQT-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO COCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000377387930 174192929 /nfs/dbraw/zinc/19/29/29/174192929.db2.gz CEGLWWKBMAFZQT-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO COCCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000377387930 174192932 /nfs/dbraw/zinc/19/29/32/174192932.db2.gz CEGLWWKBMAFZQT-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO COCC[N@H+](C)CCCNCc1ccn(C)c1 ZINC000123211362 174275185 /nfs/dbraw/zinc/27/51/85/174275185.db2.gz KJKOHWHQDHUQLH-UHFFFAOYSA-N 1 3 239.363 1.083 20 0 BDADHO COCC[N@@H+](C)CCCNCc1ccn(C)c1 ZINC000123211362 174275187 /nfs/dbraw/zinc/27/51/87/174275187.db2.gz KJKOHWHQDHUQLH-UHFFFAOYSA-N 1 3 239.363 1.083 20 0 BDADHO COCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000372989645 174308406 /nfs/dbraw/zinc/30/84/06/174308406.db2.gz LMVUKXXVHIGYPR-NSHDSACASA-N 1 3 200.326 1.049 20 0 BDADHO COCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000372989645 174308407 /nfs/dbraw/zinc/30/84/07/174308407.db2.gz LMVUKXXVHIGYPR-NSHDSACASA-N 1 3 200.326 1.049 20 0 BDADHO C[C@@H]([NH3+])CC(=O)NCc1ccccc1CN(C)C ZINC000040855300 175803281 /nfs/dbraw/zinc/80/32/81/175803281.db2.gz JGCBEGQYJZFXGC-LLVKDONJSA-N 1 3 249.358 1.102 20 0 BDADHO C[C@@H](c1cccc(O)c1)N(C)CCOCC[NH3+] ZINC000357083095 176018855 /nfs/dbraw/zinc/01/88/55/176018855.db2.gz INAQATLYZFHDPU-NSHDSACASA-N 1 3 238.331 1.360 20 0 BDADHO C[C@@H](c1cccnc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000122318260 176030909 /nfs/dbraw/zinc/03/09/09/176030909.db2.gz WYJDESBQTYMWOO-GRYCIOLGSA-N 1 3 219.332 1.812 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC1CC(F)(F)C1 ZINC000309100719 176268902 /nfs/dbraw/zinc/26/89/02/176268902.db2.gz FOSWSSSKCRLGAS-PSASIEDQSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC1CC(F)(F)C1 ZINC000309100719 176268903 /nfs/dbraw/zinc/26/89/03/176268903.db2.gz FOSWSSSKCRLGAS-PSASIEDQSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159184 176278917 /nfs/dbraw/zinc/27/89/17/176278917.db2.gz UWIPOCBEIDRAGZ-WZRBSPASSA-N 1 3 236.363 1.238 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)N(C)C ZINC000036908113 176279212 /nfs/dbraw/zinc/27/92/12/176279212.db2.gz DZOSUHWCFLDIIK-JHJVBQTASA-N 1 3 241.423 1.645 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159189 176280655 /nfs/dbraw/zinc/28/06/55/176280655.db2.gz UWIPOCBEIDRAGZ-NQBHXWOUSA-N 1 3 236.363 1.238 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304370211 176354011 /nfs/dbraw/zinc/35/40/11/176354011.db2.gz FVGHEBHJPFAQHY-NDBYEHHHSA-N 1 3 240.416 1.954 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304370211 176354013 /nfs/dbraw/zinc/35/40/13/176354013.db2.gz FVGHEBHJPFAQHY-NDBYEHHHSA-N 1 3 240.416 1.954 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c[nH]nc2c1 ZINC000334141053 176367693 /nfs/dbraw/zinc/36/76/93/176367693.db2.gz DOQIKTSGDHRSQX-PWSUYJOCSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)[C@@H]1C ZINC000309093027 176375711 /nfs/dbraw/zinc/37/57/11/176375711.db2.gz BWFGOBDUUKZOTJ-NQBHXWOUSA-N 1 3 208.349 1.882 20 0 BDADHO COC[C@H](C)CNC[C@@H]1CCCC[NH2+]1 ZINC000234703673 487634327 /nfs/dbraw/zinc/63/43/27/487634327.db2.gz OAGRMNYCUIQDQG-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO C[C@H](C[NH2+][C@H](C)C1CCOCC1)CN(C)C ZINC000336728393 176684669 /nfs/dbraw/zinc/68/46/69/176684669.db2.gz CMZRNBJJPMQRMH-VXGBXAGGSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000352902878 177242149 /nfs/dbraw/zinc/24/21/49/177242149.db2.gz SPFLNQHMZATZCE-SCRDCRAPSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051918903 177254384 /nfs/dbraw/zinc/25/43/84/177254384.db2.gz GWYJDDLMWLDDIN-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H]1CN(CCc2cccs2)CC[C@@H]1[NH3+] ZINC000049712288 177256668 /nfs/dbraw/zinc/25/66/68/177256668.db2.gz VPECSFKSULBOID-JQWIXIFHSA-N 1 3 224.373 1.960 20 0 BDADHO C[C@H]1COCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000336453309 177288837 /nfs/dbraw/zinc/28/88/37/177288837.db2.gz JMMOBBXRSYFFOS-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1COCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000336453309 177288839 /nfs/dbraw/zinc/28/88/39/177288839.db2.gz JMMOBBXRSYFFOS-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1C[C@@H](NCC2CC[NH+](C)CC2)c2nccn21 ZINC000335953526 177330797 /nfs/dbraw/zinc/33/07/97/177330797.db2.gz BMIYTZQFCJAVIT-WCQYABFASA-N 1 3 248.374 1.820 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159191 177334031 /nfs/dbraw/zinc/33/40/31/177334031.db2.gz UWIPOCBEIDRAGZ-NTZNESFSSA-N 1 3 236.363 1.238 20 0 BDADHO C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCCNC2)C1 ZINC000019516126 177358746 /nfs/dbraw/zinc/35/87/46/177358746.db2.gz BZNDIWKLEZLXFA-RWMBFGLXSA-N 1 3 210.365 1.964 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000328276575 487641814 /nfs/dbraw/zinc/64/18/14/487641814.db2.gz QWUHCPJUENBEAU-RDBSUJKOSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H]1C[C@@H]1C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000488426595 225395392 /nfs/dbraw/zinc/39/53/92/225395392.db2.gz WKEKIPQJCYZESO-QWHCGFSZSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000563013727 487666464 /nfs/dbraw/zinc/66/64/64/487666464.db2.gz LNUCIXZFWVRRHY-NSHDSACASA-N 1 3 214.353 1.079 20 0 BDADHO Cc1cncc(CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000228620335 487693910 /nfs/dbraw/zinc/69/39/10/487693910.db2.gz AJRHQIUZUHXYNZ-CYBMUJFWSA-N 1 3 233.359 1.951 20 0 BDADHO Cc1occc1CNCC1(O)CC[NH+](C)CC1 ZINC000397502649 262926161 /nfs/dbraw/zinc/92/61/61/262926161.db2.gz ALUOXAYNSFFPGB-UHFFFAOYSA-N 1 3 238.331 1.134 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000308900422 487723363 /nfs/dbraw/zinc/72/33/63/487723363.db2.gz DVSSEIQTJWBEFJ-BJDJZHNGSA-N 1 3 228.405 1.988 20 0 BDADHO C[C@H](O)C(C)(C)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904330080 584866253 /nfs/dbraw/zinc/86/62/53/584866253.db2.gz YLRWVBZAYZTLOC-WDEREUQCSA-N 1 3 230.396 1.889 20 0 BDADHO COCC[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675499771 487742824 /nfs/dbraw/zinc/74/28/24/487742824.db2.gz JFXHAWYULOYCEG-ZDUSSCGKSA-N 1 3 249.358 1.629 20 0 BDADHO CC[C@@H]1CN(CCOC(C)C)CC[C@H]1[NH3+] ZINC000251645159 487780933 /nfs/dbraw/zinc/78/09/33/487780933.db2.gz GEUNXQUJZSVHMC-VXGBXAGGSA-N 1 3 214.353 1.471 20 0 BDADHO CCCC[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000082485275 643321118 /nfs/dbraw/zinc/32/11/18/643321118.db2.gz GTALDZZIIHKOQZ-UHFFFAOYSA-N 1 3 227.396 1.402 20 0 BDADHO C[C@@H]1COCCC[N@@H+]1CCCN1CCCCC1 ZINC000682029261 487883560 /nfs/dbraw/zinc/88/35/60/487883560.db2.gz UBWJKJZNSRGEOL-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1COCCC[N@H+]1CCCN1CCCCC1 ZINC000682029261 487883565 /nfs/dbraw/zinc/88/35/65/487883565.db2.gz UBWJKJZNSRGEOL-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc2cnccc2c1 ZINC000666826699 487887160 /nfs/dbraw/zinc/88/71/60/487887160.db2.gz RKDPAWFTJFGTEE-LLVKDONJSA-N 1 3 229.327 1.919 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCCNCC1 ZINC000666857663 487891564 /nfs/dbraw/zinc/89/15/64/487891564.db2.gz DIWULLMDQAJWAE-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO c1cc(CN[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950754 487913135 /nfs/dbraw/zinc/91/31/35/487913135.db2.gz DPTOXEOIMNNALB-NSHDSACASA-N 1 3 222.357 1.980 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@@H]1C ZINC000381101000 487930934 /nfs/dbraw/zinc/93/09/34/487930934.db2.gz XVRYJCMNNHOKJT-FRRDWIJNSA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@@H]1C ZINC000381101000 487930940 /nfs/dbraw/zinc/93/09/40/487930940.db2.gz XVRYJCMNNHOKJT-FRRDWIJNSA-N 1 3 228.380 1.418 20 0 BDADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000397506393 323029905 /nfs/dbraw/zinc/02/99/05/323029905.db2.gz DKAAGVJLFPZILW-UPJWGTAASA-N 1 3 240.391 1.467 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000565224934 323034420 /nfs/dbraw/zinc/03/44/20/323034420.db2.gz ATVVGTFGULODFO-NEPJUHHUSA-N 1 3 228.380 1.787 20 0 BDADHO CCC(O)(CC)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565224934 323034421 /nfs/dbraw/zinc/03/44/21/323034421.db2.gz ATVVGTFGULODFO-NEPJUHHUSA-N 1 3 228.380 1.787 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000565224945 323034427 /nfs/dbraw/zinc/03/44/27/323034427.db2.gz ATVVGTFGULODFO-VXGBXAGGSA-N 1 3 228.380 1.787 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565224945 323034428 /nfs/dbraw/zinc/03/44/28/323034428.db2.gz ATVVGTFGULODFO-VXGBXAGGSA-N 1 3 228.380 1.787 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)o1 ZINC000572986030 323039996 /nfs/dbraw/zinc/03/99/96/323039996.db2.gz ZEEXCXJFRVHSSL-VXGBXAGGSA-N 1 3 222.332 1.990 20 0 BDADHO CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000569912114 323044443 /nfs/dbraw/zinc/04/44/43/323044443.db2.gz ROHCKMTUXFFBCC-UHFFFAOYSA-N 1 3 247.342 1.616 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCC1(O)Cc2ccccc2C1 ZINC000569957564 323045735 /nfs/dbraw/zinc/04/57/35/323045735.db2.gz KENNNDYZXWUTMO-NWDGAFQWSA-N 1 3 248.370 1.232 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C1 ZINC000570105973 323050103 /nfs/dbraw/zinc/05/01/03/323050103.db2.gz GKDTXFCETYNNIO-FVCCEPFGSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccoc1 ZINC000570153689 323051060 /nfs/dbraw/zinc/05/10/60/323051060.db2.gz YCRPOLCYFFUPCA-LBPRGKRZSA-N 1 3 237.347 1.226 20 0 BDADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@H](C)[NH3+] ZINC000570722177 323068699 /nfs/dbraw/zinc/06/86/99/323068699.db2.gz CPRSHQBCQKHOFB-WDEREUQCSA-N 1 3 249.358 1.214 20 0 BDADHO [NH3+]CCCN1CC[C@H](c2cccnc2)C1 ZINC000563135460 323094578 /nfs/dbraw/zinc/09/45/78/323094578.db2.gz MNZCUBZRXPUVHC-LBPRGKRZSA-N 1 3 205.305 1.220 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426663 323126222 /nfs/dbraw/zinc/12/62/22/323126222.db2.gz VRQRYWHAROZKAJ-NEPJUHHUSA-N 1 3 226.364 1.399 20 0 BDADHO CC(C)NCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000571107236 323135762 /nfs/dbraw/zinc/13/57/62/323135762.db2.gz ZNPPIJSMZCGXFA-SNVBAGLBSA-N 1 3 235.331 1.643 20 0 BDADHO C[C@H]1CC2(CN1Cc1ccn(C)n1)CC[NH2+]CC2 ZINC000563803757 323178370 /nfs/dbraw/zinc/17/83/70/323178370.db2.gz ALYHEFRUOBGLIF-LBPRGKRZSA-N 1 3 248.374 1.384 20 0 BDADHO C[C@@H](NCCCCF)[C@@H]1CCCC[NH2+]1 ZINC000395106698 323187076 /nfs/dbraw/zinc/18/70/76/323187076.db2.gz XHSMTFZYRNEKGG-MNOVXSKESA-N 1 3 202.317 1.856 20 0 BDADHO Cc1nccn1CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395120760 323188038 /nfs/dbraw/zinc/18/80/38/323188038.db2.gz GKLNYSQGJCNDTR-WCQYABFASA-N 1 3 236.363 1.312 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000395120760 323188039 /nfs/dbraw/zinc/18/80/39/323188039.db2.gz GKLNYSQGJCNDTR-WCQYABFASA-N 1 3 236.363 1.312 20 0 BDADHO COc1ccc([C@H](CN)C[NH+]2CCCC2)cc1 ZINC000041264260 323205740 /nfs/dbraw/zinc/20/57/40/323205740.db2.gz UMDWUGQRLKNQAC-CYBMUJFWSA-N 1 3 234.343 1.833 20 0 BDADHO COc1ccc([C@H](C[NH3+])CN2CCCC2)cc1 ZINC000041264260 323205741 /nfs/dbraw/zinc/20/57/41/323205741.db2.gz UMDWUGQRLKNQAC-CYBMUJFWSA-N 1 3 234.343 1.833 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCC12CC(C1)CO2 ZINC000530220315 323218090 /nfs/dbraw/zinc/21/80/90/323218090.db2.gz MUUGOQUBTGYSDG-ZFQMDJOTSA-N 1 3 224.348 1.415 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCCN[C@@H]1C ZINC000396623820 323394003 /nfs/dbraw/zinc/39/40/03/323394003.db2.gz VTPQKXJLKTUOBF-NDBYEHHHSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CCN1 ZINC000572112104 323540061 /nfs/dbraw/zinc/54/00/61/323540061.db2.gz DWMWQSQQXSXVOD-JOYOIKCWSA-N 1 3 208.349 1.905 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000122599924 324050599 /nfs/dbraw/zinc/05/05/99/324050599.db2.gz JHYCFXPLYKIYBW-XQQFMLRXSA-N 1 3 228.380 1.874 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000530210282 324527023 /nfs/dbraw/zinc/52/70/23/324527023.db2.gz JADDFWCNVDASLC-XQQFMLRXSA-N 1 3 226.364 1.663 20 0 BDADHO CCN(C[C@@H](O)C[N@H+](C)CC)C1CCC1 ZINC000653558254 487965078 /nfs/dbraw/zinc/96/50/78/487965078.db2.gz YREHWHGXANOZKT-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(C[C@@H](O)C[N@@H+](C)CC)C1CCC1 ZINC000653558254 487965084 /nfs/dbraw/zinc/96/50/84/487965084.db2.gz YREHWHGXANOZKT-LBPRGKRZSA-N 1 3 214.353 1.173 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000131886955 325189720 /nfs/dbraw/zinc/18/97/20/325189720.db2.gz LUWNSGKCRMTOQI-KGLIPLIRSA-N 1 3 242.407 1.981 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000131886273 325189957 /nfs/dbraw/zinc/18/99/57/325189957.db2.gz LUWNSGKCRMTOQI-UONOGXRCSA-N 1 3 242.407 1.981 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000158638467 487969731 /nfs/dbraw/zinc/96/97/31/487969731.db2.gz SDNZJSOSCWOWPP-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000565092819 325856634 /nfs/dbraw/zinc/85/66/34/325856634.db2.gz HGEIMXFDMCBNDA-IHRRRGAJSA-N 1 3 242.407 1.761 20 0 BDADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1cccc(O)c1 ZINC000567456511 326195790 /nfs/dbraw/zinc/19/57/90/326195790.db2.gz SOMGXFXOIKLUJB-LBPRGKRZSA-N 1 3 234.343 1.824 20 0 BDADHO C1CC2(CCOCC2)[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000567654311 326239379 /nfs/dbraw/zinc/23/93/79/326239379.db2.gz XVESFSVTBMBPMV-RYUDHWBXSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000567837948 326267000 /nfs/dbraw/zinc/26/70/00/326267000.db2.gz DOSGOMTYFMKLFW-NWDGAFQWSA-N 1 3 241.379 1.103 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCNc2ccccn2)C1 ZINC000568247693 326333843 /nfs/dbraw/zinc/33/38/43/326333843.db2.gz UHUVTAWXTFFFBD-QWHCGFSZSA-N 1 3 248.374 1.743 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCCC12CC2 ZINC000568276839 326339976 /nfs/dbraw/zinc/33/99/76/326339976.db2.gz QBZDSECELLZZBD-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947003 488023670 /nfs/dbraw/zinc/02/36/70/488023670.db2.gz JMCCDHSNEDQKRE-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947003 488023676 /nfs/dbraw/zinc/02/36/76/488023676.db2.gz JMCCDHSNEDQKRE-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)(C)OCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682755517 488029522 /nfs/dbraw/zinc/02/95/22/488029522.db2.gz RVYIZYAWTASHEF-BETUJISGSA-N 1 3 240.391 1.733 20 0 BDADHO [NH3+]CCCNCCc1ccccc1Cl ZINC000159447559 488031278 /nfs/dbraw/zinc/03/12/78/488031278.db2.gz NDVLUDSXMGDHCS-UHFFFAOYSA-N 1 3 212.724 1.821 20 0 BDADHO NCCC[NH2+]CCc1ccccc1Cl ZINC000159447559 488031287 /nfs/dbraw/zinc/03/12/87/488031287.db2.gz NDVLUDSXMGDHCS-UHFFFAOYSA-N 1 3 212.724 1.821 20 0 BDADHO C[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497479 488046477 /nfs/dbraw/zinc/04/64/77/488046477.db2.gz GBVZVIVQBNZPEL-IGJPJIBNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663497479 488046487 /nfs/dbraw/zinc/04/64/87/488046487.db2.gz GBVZVIVQBNZPEL-IGJPJIBNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497481 488046605 /nfs/dbraw/zinc/04/66/05/488046605.db2.gz GBVZVIVQBNZPEL-QCXCNERSSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CCCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000663497481 488046609 /nfs/dbraw/zinc/04/66/09/488046609.db2.gz GBVZVIVQBNZPEL-QCXCNERSSA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@H]1CCCSC1)C12CC(C1)CN2 ZINC000663499672 488047739 /nfs/dbraw/zinc/04/77/39/488047739.db2.gz ZXAHKSJNLHWCPP-YVNMAJEFSA-N 1 3 212.362 1.224 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001172746649 974922576 /nfs/dbraw/zinc/92/25/76/974922576.db2.gz RBIQEBZNDLZHRI-WDEREUQCSA-N 1 3 230.352 1.291 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)NC[C@@H](C)C[NH3+] ZINC001172746649 974922579 /nfs/dbraw/zinc/92/25/79/974922579.db2.gz RBIQEBZNDLZHRI-WDEREUQCSA-N 1 3 230.352 1.291 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)COC1 ZINC000393977125 488094312 /nfs/dbraw/zinc/09/43/12/488094312.db2.gz KLFKHZLZHCJAKM-WDEREUQCSA-N 1 3 212.337 1.273 20 0 BDADHO CCCN[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508338 488109014 /nfs/dbraw/zinc/10/90/14/488109014.db2.gz MPDQXBFOBORWAZ-SNVBAGLBSA-N 1 3 235.331 1.472 20 0 BDADHO NCc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000669508325 488109077 /nfs/dbraw/zinc/10/90/77/488109077.db2.gz HEFJUKDMWZEJPV-LLVKDONJSA-N 1 3 233.315 1.226 20 0 BDADHO C[C@H](C(=O)N(C)CCC[NH3+])[C@H](N)c1ccccc1 ZINC000669511869 488117031 /nfs/dbraw/zinc/11/70/31/488117031.db2.gz KRGKEFADZWLLGU-AAEUAGOBSA-N 1 3 249.358 1.130 20 0 BDADHO NC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403240766 488119075 /nfs/dbraw/zinc/11/90/75/488119075.db2.gz RALRTLSGMTUDLK-XQHKEYJVSA-N 1 3 208.349 1.703 20 0 BDADHO NC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403240766 488119080 /nfs/dbraw/zinc/11/90/80/488119080.db2.gz RALRTLSGMTUDLK-XQHKEYJVSA-N 1 3 208.349 1.703 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792814 488122018 /nfs/dbraw/zinc/12/20/18/488122018.db2.gz JYHIIETUSBQHAU-MRVWCRGKSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792814 488122023 /nfs/dbraw/zinc/12/20/23/488122023.db2.gz JYHIIETUSBQHAU-MRVWCRGKSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792814 488122028 /nfs/dbraw/zinc/12/20/28/488122028.db2.gz JYHIIETUSBQHAU-MRVWCRGKSA-N 1 3 238.375 1.485 20 0 BDADHO NC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403457663 488124224 /nfs/dbraw/zinc/12/42/24/488124224.db2.gz ZMNYFHPFCFMXIS-UTUOFQBUSA-N 1 3 208.349 1.846 20 0 BDADHO [NH3+]C1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403457663 488124227 /nfs/dbraw/zinc/12/42/27/488124227.db2.gz ZMNYFHPFCFMXIS-UTUOFQBUSA-N 1 3 208.349 1.846 20 0 BDADHO C([C@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000403612011 488129622 /nfs/dbraw/zinc/12/96/22/488129622.db2.gz IZHZVKGDEOHWLQ-ZUWCUPBKSA-N 1 3 220.360 1.574 20 0 BDADHO CC(C)([NH3+])CCC(=O)NCCN1CCCCC1 ZINC000070088262 487548258 /nfs/dbraw/zinc/54/82/58/487548258.db2.gz XRDLQXPALYOAGF-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@@H]1CCCOC1 ZINC000674301353 487552802 /nfs/dbraw/zinc/55/28/02/487552802.db2.gz ATRFVRKKGGZQGT-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000674301353 487552805 /nfs/dbraw/zinc/55/28/05/487552805.db2.gz ATRFVRKKGGZQGT-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC2(CCC2)C1 ZINC000381056775 487497519 /nfs/dbraw/zinc/49/75/19/487497519.db2.gz JMYHSNHFYMYERL-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC2(CCC2)C1 ZINC000381056775 487497520 /nfs/dbraw/zinc/49/75/20/487497520.db2.gz JMYHSNHFYMYERL-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569957 487511520 /nfs/dbraw/zinc/51/15/20/487511520.db2.gz HUNOTZJMADKSIZ-PYNQCMFNSA-N 1 3 226.364 1.397 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569956 487511885 /nfs/dbraw/zinc/51/18/85/487511885.db2.gz HUNOTZJMADKSIZ-POOIEITISA-N 1 3 226.364 1.397 20 0 BDADHO COC[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500523 487514681 /nfs/dbraw/zinc/51/46/81/487514681.db2.gz HHTNNGLKCPWQDP-AVGNSLFASA-N 1 3 228.380 1.922 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000169816506 490043573 /nfs/dbraw/zinc/04/35/73/490043573.db2.gz HFWKPPAYGRCSPU-SKDRFNHKSA-N 1 3 235.331 1.457 20 0 BDADHO c1cc2cccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)c2[nH]1 ZINC000678342923 488243497 /nfs/dbraw/zinc/24/34/97/488243497.db2.gz HQCHLYCVBBIYAQ-OKILXGFUSA-N 1 3 241.338 1.819 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCCCO)C1 ZINC000679340017 488341748 /nfs/dbraw/zinc/34/17/48/488341748.db2.gz MYYYOBLAOVTHAT-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO C[NH+]1CCC(NCc2cccc(N)c2)CC1 ZINC000107801928 490265825 /nfs/dbraw/zinc/26/58/25/490265825.db2.gz NYPCGEPCJIPOMX-UHFFFAOYSA-N 1 3 219.332 1.453 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CS1 ZINC000306767017 533961640 /nfs/dbraw/zinc/96/16/40/533961640.db2.gz CBAOOTYRTNSYNR-CHWFTXMASA-N 1 3 214.378 1.597 20 0 BDADHO CCOC(=O)CCCCC[N@H+]1CCC[C@@H](N)C1 ZINC000071293028 535625921 /nfs/dbraw/zinc/62/59/21/535625921.db2.gz DVRCVAPCTSMABA-GFCCVEGCSA-N 1 3 242.363 1.533 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCCCC1)CN(C)C ZINC000849030708 582833071 /nfs/dbraw/zinc/83/30/71/582833071.db2.gz SXYDAATZOWRLGB-LLVKDONJSA-N 1 3 226.368 1.194 20 0 BDADHO C[C@@H](C1CC1)N1CCC([N@H+](C)CCCO)CC1 ZINC000782181704 582869952 /nfs/dbraw/zinc/86/99/52/582869952.db2.gz JKSWTUWOMFBREB-LBPRGKRZSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H](C1CC1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000782181704 582869954 /nfs/dbraw/zinc/86/99/54/582869954.db2.gz JKSWTUWOMFBREB-LBPRGKRZSA-N 1 3 240.391 1.564 20 0 BDADHO COC[C@@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335570843 536524031 /nfs/dbraw/zinc/52/40/31/536524031.db2.gz VTNYHRZSSFXXBT-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO COC[C@@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335570843 536524037 /nfs/dbraw/zinc/52/40/37/536524037.db2.gz VTNYHRZSSFXXBT-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494310402 528261863 /nfs/dbraw/zinc/26/18/63/528261863.db2.gz KUYNWSVSLMTGFK-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO CCN1CCN(CCC[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488422815 529144921 /nfs/dbraw/zinc/14/49/21/529144921.db2.gz ZAQRQXNKENLRAV-ZIAGYGMSSA-N 1 3 239.407 1.260 20 0 BDADHO CCN1CCN(CCC[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488422803 529145025 /nfs/dbraw/zinc/14/50/25/529145025.db2.gz ZAQRQXNKENLRAV-KBPBESRZSA-N 1 3 239.407 1.260 20 0 BDADHO CC(C)[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251318049 535038440 /nfs/dbraw/zinc/03/84/40/535038440.db2.gz LRJTWZTUJXHHKO-AVGNSLFASA-N 1 3 226.364 1.220 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342716756 535044159 /nfs/dbraw/zinc/04/41/59/535044159.db2.gz DRGSKJLDWWIFMA-WCQYABFASA-N 1 3 241.379 1.010 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@H](C)[NH3+])C1(C)C ZINC000261530557 535513284 /nfs/dbraw/zinc/51/32/84/535513284.db2.gz CQVGNIDIAYOOEC-XWLWVQCSSA-N 1 3 214.353 1.515 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084215645 535550695 /nfs/dbraw/zinc/55/06/95/535550695.db2.gz KBLQAAFWXGTLLM-NWDGAFQWSA-N 1 3 214.353 1.520 20 0 BDADHO CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](N)C1 ZINC000071293028 535625918 /nfs/dbraw/zinc/62/59/18/535625918.db2.gz DVRCVAPCTSMABA-GFCCVEGCSA-N 1 3 242.363 1.533 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251117495 536123005 /nfs/dbraw/zinc/12/30/05/536123005.db2.gz VOHKMNDNLRWFMR-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251117495 536123006 /nfs/dbraw/zinc/12/30/06/536123006.db2.gz VOHKMNDNLRWFMR-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO COCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000250481229 536590395 /nfs/dbraw/zinc/59/03/95/536590395.db2.gz WJCRKKMTMXPTBX-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO COc1ccccc1CCNC[C@H]1CCC[NH2+]C1 ZINC000230285658 537039201 /nfs/dbraw/zinc/03/92/01/537039201.db2.gz XBNCXVBNKJTKGZ-ZDUSSCGKSA-N 1 3 248.370 1.827 20 0 BDADHO COc1ccccc1CC[NH2+]C[C@H]1CCCNC1 ZINC000230285658 537039205 /nfs/dbraw/zinc/03/92/05/537039205.db2.gz XBNCXVBNKJTKGZ-ZDUSSCGKSA-N 1 3 248.370 1.827 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]CC23CC(C2)CN3)CCO1 ZINC000853245633 588728524 /nfs/dbraw/zinc/72/85/24/588728524.db2.gz AGZHWERSIRFLJO-RJZJGCCBSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@@H]1C[C@@H](CNCC23CC(C2)C[NH2+]3)CCO1 ZINC000853245633 588728525 /nfs/dbraw/zinc/72/85/25/588728525.db2.gz AGZHWERSIRFLJO-RJZJGCCBSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@H](C)C[NH2+]C)CCO1 ZINC000853249713 588729120 /nfs/dbraw/zinc/72/91/20/588729120.db2.gz UTDKWYFZFLUKRE-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1C=CCC1 ZINC000854221732 588780273 /nfs/dbraw/zinc/78/02/73/588780273.db2.gz UBQHAPBOAFURHH-USZNOCQGSA-N 1 3 210.321 1.047 20 0 BDADHO C[C@H]1CCCC[N@@H+]1CCNc1ccncc1CO ZINC000891838914 582728970 /nfs/dbraw/zinc/72/89/70/582728970.db2.gz XKRCSENTQSEVLL-LBPRGKRZSA-N 1 3 249.358 1.282 20 0 BDADHO C[C@H]1CCCC[N@H+]1CCNc1ccncc1CO ZINC000891838914 582728971 /nfs/dbraw/zinc/72/89/71/582728971.db2.gz XKRCSENTQSEVLL-LBPRGKRZSA-N 1 3 249.358 1.282 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNc1ccncc1CO ZINC000892285102 582827146 /nfs/dbraw/zinc/82/71/46/582827146.db2.gz SBBWZQRBOKHFSL-LLVKDONJSA-N 1 3 237.347 1.138 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNc1ccncc1CO ZINC000892285102 582827147 /nfs/dbraw/zinc/82/71/47/582827147.db2.gz SBBWZQRBOKHFSL-LLVKDONJSA-N 1 3 237.347 1.138 20 0 BDADHO CCCN1CCC[C@H]1CNC1=[NH+]CCCCN1 ZINC000849216592 582844096 /nfs/dbraw/zinc/84/40/96/582844096.db2.gz LPBVINIPKQRKOI-LBPRGKRZSA-N 1 3 238.379 1.190 20 0 BDADHO Cc1cc(N)nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000892824428 582989675 /nfs/dbraw/zinc/98/96/75/582989675.db2.gz QQZLWCXUKHHJAR-GHMZBOCLSA-N 1 3 249.362 1.652 20 0 BDADHO C[C@H]1C[N@H+](CC2CCN(C)CC2)[C@@H](C)CN1C ZINC000893668435 583192294 /nfs/dbraw/zinc/19/22/94/583192294.db2.gz FJVUPDOEYQSXKL-STQMWFEESA-N 1 3 239.407 1.353 20 0 BDADHO C[C@H]1C[N@@H+](CC2CCN(C)CC2)[C@@H](C)CN1C ZINC000893668435 583192295 /nfs/dbraw/zinc/19/22/95/583192295.db2.gz FJVUPDOEYQSXKL-STQMWFEESA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000894456881 583464625 /nfs/dbraw/zinc/46/46/25/583464625.db2.gz RPLLMDKLBSQFHD-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@H]1CN(C)CC[N@@H+]1CC1CCN(C)CC1 ZINC000894640398 583499334 /nfs/dbraw/zinc/49/93/34/583499334.db2.gz CBBMJAYJBLHHCZ-AWEZNQCLSA-N 1 3 239.407 1.354 20 0 BDADHO CC[C@H]1CN(C)CC[N@H+]1CC1CCN(C)CC1 ZINC000894640398 583499337 /nfs/dbraw/zinc/49/93/37/583499337.db2.gz CBBMJAYJBLHHCZ-AWEZNQCLSA-N 1 3 239.407 1.354 20 0 BDADHO COCCC1(C)C[NH+](CC2CCN(C)CC2)C1 ZINC000894839437 583529204 /nfs/dbraw/zinc/52/92/04/583529204.db2.gz IPPXAARBXDTEMC-UHFFFAOYSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@@H](CC(C)C)NCC[C@H](C)[NH+](C)C ZINC000895293669 583639440 /nfs/dbraw/zinc/63/94/40/583639440.db2.gz JASZAZXBUUXZLI-QWHCGFSZSA-N 1 3 230.396 1.977 20 0 BDADHO C[C@@H](CC[NH2+]Cc1ccc2c[nH]nc2c1)N(C)C ZINC000895298459 583640466 /nfs/dbraw/zinc/64/04/66/583640466.db2.gz WMHBTXORXHWUQN-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO CCCN1CCC([NH2+]C[C@@H]2CC(C)=NO2)CC1 ZINC000895306787 583644352 /nfs/dbraw/zinc/64/43/52/583644352.db2.gz JROOGYNWBJTXDD-ZDUSSCGKSA-N 1 3 239.363 1.615 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000895849323 583737103 /nfs/dbraw/zinc/73/71/03/583737103.db2.gz UCOLQKDVOXEGFP-CYBMUJFWSA-N 1 3 240.391 1.421 20 0 BDADHO CN1CCC(C[N@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000895849323 583737106 /nfs/dbraw/zinc/73/71/06/583737106.db2.gz UCOLQKDVOXEGFP-CYBMUJFWSA-N 1 3 240.391 1.421 20 0 BDADHO CCO[C@@H](CNC[C@@H]1CCC=CO1)C[NH+](C)C ZINC000896879533 583845029 /nfs/dbraw/zinc/84/50/29/583845029.db2.gz CWCHVTSQNZVDKY-STQMWFEESA-N 1 3 242.363 1.235 20 0 BDADHO CC1(C)CC(NC[C@@H](O)C2CC2)CC(C)(C)[NH2+]1 ZINC000840732610 583945472 /nfs/dbraw/zinc/94/54/72/583945472.db2.gz FWVHXDCEEDRCFQ-GFCCVEGCSA-N 1 3 240.391 1.656 20 0 BDADHO CC1(C)CC([NH2+]C[C@@H](O)C2CC2)CC(C)(C)N1 ZINC000840732610 583945473 /nfs/dbraw/zinc/94/54/73/583945473.db2.gz FWVHXDCEEDRCFQ-GFCCVEGCSA-N 1 3 240.391 1.656 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143017 583948243 /nfs/dbraw/zinc/94/82/43/583948243.db2.gz JFEUYXISWXPGAS-CHWSQXEVSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@]1(CN)CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143017 583948245 /nfs/dbraw/zinc/94/82/45/583948245.db2.gz JFEUYXISWXPGAS-CHWSQXEVSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@]1(CN)CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000872143017 583948247 /nfs/dbraw/zinc/94/82/47/583948247.db2.gz JFEUYXISWXPGAS-CHWSQXEVSA-N 1 3 238.375 1.616 20 0 BDADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899263757 584191233 /nfs/dbraw/zinc/19/12/33/584191233.db2.gz MWUDEOBIUMCXKL-JQWIXIFHSA-N 1 3 238.379 1.383 20 0 BDADHO C[C@H]([NH3+])c1ccc(-c2cnn(C)c2CN)cc1 ZINC000899323941 584196403 /nfs/dbraw/zinc/19/64/03/584196403.db2.gz WBRNYFQNMUPUPA-VIFPVBQESA-N 1 3 230.315 1.566 20 0 BDADHO CC[C@H](N)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899741285 584233656 /nfs/dbraw/zinc/23/36/56/584233656.db2.gz OPOSZPHTTOGMOK-MNOVXSKESA-N 1 3 237.351 1.078 20 0 BDADHO CC[C@H](N)c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899741286 584234215 /nfs/dbraw/zinc/23/42/15/584234215.db2.gz OPOSZPHTTOGMOK-QWRGUYRKSA-N 1 3 237.351 1.078 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCNCC(C)(C)C2)CCOC1 ZINC000902321931 584551417 /nfs/dbraw/zinc/55/14/17/584551417.db2.gz ZFNYMNSDBDTNJX-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO COCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902319984 584552074 /nfs/dbraw/zinc/55/20/74/584552074.db2.gz NYUTXHHGUAKGPB-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348234 584559508 /nfs/dbraw/zinc/55/95/08/584559508.db2.gz XYTYLLYWVJHRRX-CYBMUJFWSA-N 1 3 241.423 1.694 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902372668 584566573 /nfs/dbraw/zinc/56/65/73/584566573.db2.gz UHMPENNAXMWOIJ-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000902375193 584567478 /nfs/dbraw/zinc/56/74/78/584567478.db2.gz BEYZXKSPEJYMED-AVGNSLFASA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCC[C@@H]2O)C1 ZINC000902375193 584567480 /nfs/dbraw/zinc/56/74/80/584567480.db2.gz BEYZXKSPEJYMED-AVGNSLFASA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H](O)C2CCC2)C1 ZINC000902386285 584578491 /nfs/dbraw/zinc/57/84/91/584578491.db2.gz DXNSXXWNMATXEF-QWHCGFSZSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000902386285 584578494 /nfs/dbraw/zinc/57/84/94/584578494.db2.gz DXNSXXWNMATXEF-QWHCGFSZSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902387274 584579223 /nfs/dbraw/zinc/57/92/23/584579223.db2.gz IXRBISYNBOBVDU-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403499 584588273 /nfs/dbraw/zinc/58/82/73/584588273.db2.gz HKHDQSYFQQJMOA-WOPDTQHZSA-N 1 3 226.364 1.389 20 0 BDADHO COc1ccc([C@@H](C)[NH2+]CC2(N)CC2)cc1F ZINC000902415740 584589719 /nfs/dbraw/zinc/58/97/19/584589719.db2.gz PXHANRVOIUOTDD-SECBINFHSA-N 1 3 238.306 1.976 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000902432720 584595681 /nfs/dbraw/zinc/59/56/81/584595681.db2.gz WVEJIXPCZSFCJX-UKJIMTQDSA-N 1 3 226.364 1.659 20 0 BDADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000902444266 584598166 /nfs/dbraw/zinc/59/81/66/584598166.db2.gz MXZPBWGIYGJVGD-WOPDTQHZSA-N 1 3 208.349 1.763 20 0 BDADHO CC1(C)CNC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000902444247 584598530 /nfs/dbraw/zinc/59/85/30/584598530.db2.gz MXZPBWGIYGJVGD-SRVKXCTJSA-N 1 3 208.349 1.763 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CNCC2(C)C)CC1 ZINC000902445971 584599053 /nfs/dbraw/zinc/59/90/53/584599053.db2.gz RCMYTIVMWLTRKK-WXRRBKDZSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](CCc1ccco1)NCC1([NH3+])CC1 ZINC000902414819 584600664 /nfs/dbraw/zinc/60/06/64/584600664.db2.gz CXLMBLQWHRWXIL-JTQLQIEISA-N 1 3 208.305 1.682 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CNCC1(C)C)C1CCOCC1 ZINC000902449395 584606481 /nfs/dbraw/zinc/60/64/81/584606481.db2.gz NUHBQVWZTCOILT-ZYHUDNBSSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902454400 584608956 /nfs/dbraw/zinc/60/89/56/584608956.db2.gz HKIQPWNXCVHMFL-FPYNETTCSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902456801 584610565 /nfs/dbraw/zinc/61/05/65/584610565.db2.gz PPTAVEVIUQPNJB-LQSBQDLSSA-N 1 3 238.375 1.517 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902466912 584614594 /nfs/dbraw/zinc/61/45/94/584614594.db2.gz ORHZDBKDPSJOPQ-FPYNETTCSA-N 1 3 224.348 1.427 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487315 584625808 /nfs/dbraw/zinc/62/58/08/584625808.db2.gz SUEQTTJCBZMIQE-NAKRPEOUSA-N 1 3 220.320 1.216 20 0 BDADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1nccs1 ZINC000902487203 584626255 /nfs/dbraw/zinc/62/62/55/584626255.db2.gz KKFJKHRQGXFHJY-IWSPIJDZSA-N 1 3 211.334 1.531 20 0 BDADHO CCn1ccnc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487345 584626735 /nfs/dbraw/zinc/62/67/35/584626735.db2.gz TXASXLUEQCZZEV-GMTAPVOTSA-N 1 3 222.336 1.291 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902517016 584630351 /nfs/dbraw/zinc/63/03/51/584630351.db2.gz GCGMTLMIKICLBZ-SPWCGHHHSA-N 1 3 246.354 1.362 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902521417 584631227 /nfs/dbraw/zinc/63/12/27/584631227.db2.gz SOJURVIYBDHFEG-ZDEQEGDKSA-N 1 3 224.348 1.128 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520990 584631481 /nfs/dbraw/zinc/63/14/81/584631481.db2.gz QKOCORGQNJNVGS-XJFOESAGSA-N 1 3 232.327 1.114 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(c2cn[nH]c2)CC1 ZINC000903441871 584767114 /nfs/dbraw/zinc/76/71/14/584767114.db2.gz CTENJCKCFXWTAF-RISCZKNCSA-N 1 3 248.374 1.445 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCOC[C@@H]2C2CC2)C1 ZINC000903454959 584773106 /nfs/dbraw/zinc/77/31/06/584773106.db2.gz OWSNRWUCPVIYQV-CYZMBNFOSA-N 1 3 224.348 1.225 20 0 BDADHO CCN1C[C@@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@@H]1C ZINC000903454591 584773513 /nfs/dbraw/zinc/77/35/13/584773513.db2.gz DLXACHGKPMZAHA-RQJABVFESA-N 1 3 239.407 1.256 20 0 BDADHO [NH3+]C[C@@H](NCCOC1CC1)C1CCCCC1 ZINC000903455306 584774353 /nfs/dbraw/zinc/77/43/53/584774353.db2.gz STAOMAOAWLXWPC-CYBMUJFWSA-N 1 3 226.364 1.663 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470152 584774491 /nfs/dbraw/zinc/77/44/91/584774491.db2.gz GUBFGCPWTBBVGE-LLVKDONJSA-N 1 3 212.337 1.287 20 0 BDADHO C(C[C@@H]1CCCCO1)[NH2+][C@H]1CCNC12CCC2 ZINC000903470976 584775217 /nfs/dbraw/zinc/77/52/17/584775217.db2.gz FTVMIIGAJWGEPC-STQMWFEESA-N 1 3 238.375 1.820 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CCF)CC1 ZINC000903476938 584777129 /nfs/dbraw/zinc/77/71/29/584777129.db2.gz OQCIRIQWLAFXJN-YPMHNXCESA-N 1 3 228.355 1.914 20 0 BDADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCOC2CC2)C1 ZINC000903476380 584777650 /nfs/dbraw/zinc/77/76/50/584777650.db2.gz VOSHIZNAXTWBJI-AWEZNQCLSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCOC2CC2)C1 ZINC000903476380 584777652 /nfs/dbraw/zinc/77/76/52/584777652.db2.gz VOSHIZNAXTWBJI-AWEZNQCLSA-N 1 3 240.391 1.862 20 0 BDADHO Cc1noc([C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496559 584781128 /nfs/dbraw/zinc/78/11/28/584781128.db2.gz SHHIZBUFTSURMM-WCABBAIRSA-N 1 3 238.335 1.356 20 0 BDADHO CC(C)(C)CN(CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903729366 584792995 /nfs/dbraw/zinc/79/29/95/584792995.db2.gz LPOMRMWADOSQSX-ZDUSSCGKSA-N 1 3 242.407 1.717 20 0 BDADHO CCOC(=O)[C@@H]1C[C@H]1CN[C@@H](C[NH3+])C(C)(C)C ZINC000903752657 584795382 /nfs/dbraw/zinc/79/53/82/584795382.db2.gz PBPOCWBXQHLGOB-AXFHLTTASA-N 1 3 242.363 1.149 20 0 BDADHO CN(CCCF)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783826 584800360 /nfs/dbraw/zinc/80/03/60/584800360.db2.gz DZQQALHCGZOBTO-LBPRGKRZSA-N 1 3 244.354 1.437 20 0 BDADHO COCC[N@@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903815581 584800894 /nfs/dbraw/zinc/80/08/94/584800894.db2.gz RPNJBIZHFIWVSJ-GFCCVEGCSA-N 1 3 226.364 1.616 20 0 BDADHO COCC[N@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903815581 584800895 /nfs/dbraw/zinc/80/08/95/584800895.db2.gz RPNJBIZHFIWVSJ-GFCCVEGCSA-N 1 3 226.364 1.616 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CC[C@H]1CCCO1 ZINC000903856544 584808943 /nfs/dbraw/zinc/80/89/43/584808943.db2.gz ABOKYPBBFDCKFI-JHJVBQTASA-N 1 3 224.348 1.369 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903860645 584812516 /nfs/dbraw/zinc/81/25/16/584812516.db2.gz SNKZICSHWSQMRG-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903860645 584812517 /nfs/dbraw/zinc/81/25/17/584812517.db2.gz SNKZICSHWSQMRG-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903903563 584820993 /nfs/dbraw/zinc/82/09/93/584820993.db2.gz VRDYRVXZDFZBCC-WDEREUQCSA-N 1 3 249.349 1.241 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1C[C@@H]([NH3+])CC(F)F ZINC000903903562 584821231 /nfs/dbraw/zinc/82/12/31/584821231.db2.gz VRDYRVXZDFZBCC-QWRGUYRKSA-N 1 3 249.349 1.241 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]([NH3+])CC(F)F)C[C@@H]1C ZINC000903909986 584821870 /nfs/dbraw/zinc/82/18/70/584821870.db2.gz ZCDFNKQKWSMOEY-DCAQKATOSA-N 1 3 249.349 1.383 20 0 BDADHO CCCC[C@H](COC)NCCC(C)(C)[NH3+] ZINC000903939516 584822246 /nfs/dbraw/zinc/82/22/46/584822246.db2.gz IDLVOLFIROQNSQ-LLVKDONJSA-N 1 3 216.369 1.909 20 0 BDADHO NC[C@H]([NH2+]C[C@H](N)CC(F)F)C1CCCC1 ZINC000903919068 584823362 /nfs/dbraw/zinc/82/33/62/584823362.db2.gz LEDMQGCSYQSFJF-ZJUUUORDSA-N 1 3 235.322 1.076 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@@H]([NH3+])CC(F)F ZINC000903923157 584823728 /nfs/dbraw/zinc/82/37/28/584823728.db2.gz MYWQJDHDNJRPNR-UWVGGRQHSA-N 1 3 238.322 1.356 20 0 BDADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H]2C=CCC2)cnn1C ZINC000903933315 584825137 /nfs/dbraw/zinc/82/51/37/584825137.db2.gz OVBURYZDIWQIQE-GXTWGEPZSA-N 1 3 248.374 1.154 20 0 BDADHO N[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1F)CC(F)F ZINC000903934251 584825590 /nfs/dbraw/zinc/82/55/90/584825590.db2.gz FMIDGDLWBPFEPB-HRDYMLBCSA-N 1 3 224.270 1.839 20 0 BDADHO C[C@@H]1CN(CC(C)(C)[NH3+])CCN1c1ccncc1 ZINC000903937432 584826514 /nfs/dbraw/zinc/82/65/14/584826514.db2.gz KSGKTFHOMZNXHR-GFCCVEGCSA-N 1 3 248.374 1.329 20 0 BDADHO CC[C@H](COC)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903956967 584827804 /nfs/dbraw/zinc/82/78/04/584827804.db2.gz ODGHAWZTDVTJBC-NXEZZACHSA-N 1 3 236.306 1.246 20 0 BDADHO C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000903973556 584832586 /nfs/dbraw/zinc/83/25/86/584832586.db2.gz GMGAYXIYNCYEJH-GFCCVEGCSA-N 1 3 224.348 1.145 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903986416 584835510 /nfs/dbraw/zinc/83/55/10/584835510.db2.gz JFVIRNZTIXDQLG-LPWJVIDDSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@]1(CN2CCC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904301555 584861137 /nfs/dbraw/zinc/86/11/37/584861137.db2.gz NRRORSCUCNEWEZ-STQMWFEESA-N 1 3 226.364 1.080 20 0 BDADHO C[C@]1(C[N@@H+]2CCC[C@H](CO)C2)CCCNC1 ZINC000904301555 584861139 /nfs/dbraw/zinc/86/11/39/584861139.db2.gz NRRORSCUCNEWEZ-STQMWFEESA-N 1 3 226.364 1.080 20 0 BDADHO C[C@]1(C[N@H+]2CCC[C@H](CO)C2)CCCNC1 ZINC000904301555 584861141 /nfs/dbraw/zinc/86/11/41/584861141.db2.gz NRRORSCUCNEWEZ-STQMWFEESA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@]1(CN2CCC[C@H](CCO)C2)CCC[NH2+]C1 ZINC000904318525 584864214 /nfs/dbraw/zinc/86/42/14/584864214.db2.gz RNQDCBZHEBPHHV-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@]1(C[N@@H+]2CCC[C@H](CCO)C2)CCCNC1 ZINC000904318525 584864215 /nfs/dbraw/zinc/86/42/15/584864215.db2.gz RNQDCBZHEBPHHV-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@]1(C[N@H+]2CCC[C@H](CCO)C2)CCCNC1 ZINC000904318525 584864216 /nfs/dbraw/zinc/86/42/16/584864216.db2.gz RNQDCBZHEBPHHV-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904321943 584864571 /nfs/dbraw/zinc/86/45/71/584864571.db2.gz KXNCWNHRFDHVNY-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904321943 584864572 /nfs/dbraw/zinc/86/45/72/584864572.db2.gz KXNCWNHRFDHVNY-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO CC[N@H+](CCCO)C[C@H](N)CCC(C)(C)C ZINC000904340751 584866512 /nfs/dbraw/zinc/86/65/12/584866512.db2.gz CFRRAJFPROTWHW-GFCCVEGCSA-N 1 3 230.396 1.844 20 0 BDADHO CC[N@@H+](CCCO)C[C@H](N)CCC(C)(C)C ZINC000904340751 584866513 /nfs/dbraw/zinc/86/65/13/584866513.db2.gz CFRRAJFPROTWHW-GFCCVEGCSA-N 1 3 230.396 1.844 20 0 BDADHO CC1(C)C[N@H+](C[C@]2(C)CCCNC2)CC[C@H]1O ZINC000904339983 584866595 /nfs/dbraw/zinc/86/65/95/584866595.db2.gz CGUZIDHUWHGJJO-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[N@@H+](C[C@]2(C)CCCNC2)CC[C@H]1O ZINC000904339983 584866596 /nfs/dbraw/zinc/86/65/96/584866596.db2.gz CGUZIDHUWHGJJO-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[N@H+](C[C@@]2(C)CCCNC2)CC[C@@H]1O ZINC000904339981 584866630 /nfs/dbraw/zinc/86/66/30/584866630.db2.gz CGUZIDHUWHGJJO-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[N@@H+](C[C@@]2(C)CCCNC2)CC[C@@H]1O ZINC000904339981 584866631 /nfs/dbraw/zinc/86/66/31/584866631.db2.gz CGUZIDHUWHGJJO-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)[C@H]1CO ZINC000904341777 584867520 /nfs/dbraw/zinc/86/75/20/584867520.db2.gz VUXOFVRSZGRCBV-UPJWGTAASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)[C@H]1CO ZINC000904341777 584867521 /nfs/dbraw/zinc/86/75/21/584867521.db2.gz VUXOFVRSZGRCBV-UPJWGTAASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@]1(CNC[C@@H](N)c2ccccc2)CCC[NH2+]C1 ZINC000904353201 584869796 /nfs/dbraw/zinc/86/97/96/584869796.db2.gz IJZZDTAEQAQDBO-HUUCEWRRSA-N 1 3 247.386 1.666 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1nccn1C1CC1 ZINC000904356000 584871400 /nfs/dbraw/zinc/87/14/00/584871400.db2.gz ZHXAZDHVIDEDNI-LLVKDONJSA-N 1 3 236.363 1.825 20 0 BDADHO CC[N@H+](CCC(N)=O)C[C@@H](N)CCC(C)(C)C ZINC000904388591 584874832 /nfs/dbraw/zinc/87/48/32/584874832.db2.gz LFPCHFCVPNSOAL-NSHDSACASA-N 1 3 243.395 1.337 20 0 BDADHO CC[N@@H+](CCC(N)=O)C[C@@H](N)CCC(C)(C)C ZINC000904388591 584874833 /nfs/dbraw/zinc/87/48/33/584874833.db2.gz LFPCHFCVPNSOAL-NSHDSACASA-N 1 3 243.395 1.337 20 0 BDADHO CC(C)(C)CC[C@@H]([NH3+])CN1CC[C@@H](F)[C@H](N)C1 ZINC000904379815 584876740 /nfs/dbraw/zinc/87/67/40/584876740.db2.gz XZYZQSLBVGTYPW-IJLUTSLNSA-N 1 3 245.386 1.511 20 0 BDADHO C[C@@H]1CN(Cc2cncs2)CC[C@@H]1C[NH3+] ZINC000904412568 584879795 /nfs/dbraw/zinc/87/97/95/584879795.db2.gz WMYBOELXWBZKAJ-NXEZZACHSA-N 1 3 225.361 1.560 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412928 584879936 /nfs/dbraw/zinc/87/99/36/584879936.db2.gz ZKDVZUGUQGZCPL-JQWIXIFHSA-N 1 3 249.358 1.512 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412928 584879938 /nfs/dbraw/zinc/87/99/38/584879938.db2.gz ZKDVZUGUQGZCPL-JQWIXIFHSA-N 1 3 249.358 1.512 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913807 584991310 /nfs/dbraw/zinc/99/13/10/584991310.db2.gz SWADAPKEYKFGFC-RJZJGCCBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1CCCN1CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000817913697 584991413 /nfs/dbraw/zinc/99/14/13/584991413.db2.gz QUCNESMWVSAIAF-MCIONIFRSA-N 1 3 239.407 1.720 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C2CC2)C[C@H]1C ZINC000838863814 585075820 /nfs/dbraw/zinc/07/58/20/585075820.db2.gz QCQZZJACCVALTD-XBFCOCLRSA-N 1 3 240.391 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)C2CC2)C[C@H]1C ZINC000838863814 585075821 /nfs/dbraw/zinc/07/58/21/585075821.db2.gz QCQZZJACCVALTD-XBFCOCLRSA-N 1 3 240.391 1.562 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C2CC2)C[C@@H]1C ZINC000838863810 585075908 /nfs/dbraw/zinc/07/59/08/585075908.db2.gz QCQZZJACCVALTD-FPMFFAJLSA-N 1 3 240.391 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)C2CC2)C[C@@H]1C ZINC000838863810 585075909 /nfs/dbraw/zinc/07/59/09/585075909.db2.gz QCQZZJACCVALTD-FPMFFAJLSA-N 1 3 240.391 1.562 20 0 BDADHO C[C@H]1CC(C)(C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000839659411 585333726 /nfs/dbraw/zinc/33/37/26/585333726.db2.gz CTDRAHVYPKYSPK-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO CCN1C[C@H](C)N(CC[NH+]2CCCC2)C[C@@H]1C ZINC000766254400 585499398 /nfs/dbraw/zinc/49/93/98/585499398.db2.gz QAAQCXOZTDBHST-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO C[NH+](C)CC1CCN(CCC(=O)C2CC2)CC1 ZINC000767349850 585517189 /nfs/dbraw/zinc/51/71/89/585517189.db2.gz ZRHYSQYQIWILQF-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO CN1CCC(O)(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000769520184 585558717 /nfs/dbraw/zinc/55/87/17/585558717.db2.gz SVFOYPDPSFDLOK-UHFFFAOYSA-N 1 3 248.317 1.076 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779346094 585752242 /nfs/dbraw/zinc/75/22/42/585752242.db2.gz UHNSWFLGDFINJL-QWHCGFSZSA-N 1 3 228.380 1.467 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000795118123 586069045 /nfs/dbraw/zinc/06/90/45/586069045.db2.gz ZXTFSQIWYMOOPD-NSHDSACASA-N 1 3 205.305 1.612 20 0 BDADHO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N)n1 ZINC000811811437 586567225 /nfs/dbraw/zinc/56/72/25/586567225.db2.gz BVKJUAUVGGCPCP-UWVGGRQHSA-N 1 3 247.346 1.404 20 0 BDADHO Cc1cc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N)n1 ZINC000811811437 586567226 /nfs/dbraw/zinc/56/72/26/586567226.db2.gz BVKJUAUVGGCPCP-UWVGGRQHSA-N 1 3 247.346 1.404 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1cccnc1 ZINC000817891827 586831860 /nfs/dbraw/zinc/83/18/60/586831860.db2.gz HPVDKHYASUEZOD-MNOVXSKESA-N 1 3 223.320 1.176 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)c1ccccc1 ZINC000817894322 586833586 /nfs/dbraw/zinc/83/35/86/586833586.db2.gz LLAKNQKJQUSKQS-GMXVVIOVSA-N 1 3 222.332 1.435 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(Cl)nc1 ZINC000817902298 586836184 /nfs/dbraw/zinc/83/61/84/586836184.db2.gz MUMQQADOZOMEAO-UWVGGRQHSA-N 1 3 241.766 1.993 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000817902298 586836187 /nfs/dbraw/zinc/83/61/87/586836187.db2.gz MUMQQADOZOMEAO-UWVGGRQHSA-N 1 3 241.766 1.993 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNc1ccccc1 ZINC000817901953 586836448 /nfs/dbraw/zinc/83/64/48/586836448.db2.gz ZXHWQUMTVHPZMX-OCCSQVGLSA-N 1 3 233.359 1.816 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901953 586836451 /nfs/dbraw/zinc/83/64/51/586836451.db2.gz ZXHWQUMTVHPZMX-OCCSQVGLSA-N 1 3 233.359 1.816 20 0 BDADHO C[C@H]1CCCN1CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000817912271 586838273 /nfs/dbraw/zinc/83/82/73/586838273.db2.gz FTLFXAUBJNLQTB-FRRDWIJNSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](NCCN1CCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000817912789 586838381 /nfs/dbraw/zinc/83/83/81/586838381.db2.gz IONVZQXFYKGTBY-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO Cc1cccc([C@H](O)CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000817909971 586838624 /nfs/dbraw/zinc/83/86/24/586838624.db2.gz FSGIDGNKZCWQTF-SGMGOOAPSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCC[C@H]1C ZINC000817914429 586839159 /nfs/dbraw/zinc/83/91/59/586839159.db2.gz XGAOJDJQCFIIQM-SDDRHHMPSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCCCCO ZINC000817918044 586840427 /nfs/dbraw/zinc/84/04/27/586840427.db2.gz GMYFBUQSYUZSLR-STQMWFEESA-N 1 3 228.380 1.517 20 0 BDADHO CC1(CN[C@H]2CCCC[C@H]2C[NH3+])OCCCO1 ZINC000817926901 586840875 /nfs/dbraw/zinc/84/08/75/586840875.db2.gz WAYQYIHPIWVRLS-RYUDHWBXSA-N 1 3 242.363 1.247 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC=CO1 ZINC000817924718 586841311 /nfs/dbraw/zinc/84/13/11/586841311.db2.gz VGVGKNHYVAFIOT-XQQFMLRXSA-N 1 3 224.348 1.929 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817926668 586841485 /nfs/dbraw/zinc/84/14/85/586841485.db2.gz RBFMTAFRCZXUAQ-BZPMIXESSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@@H](N[C@@H](CCO)Cc1ccccc1)C1C[NH2+]C1 ZINC000817927369 586841668 /nfs/dbraw/zinc/84/16/68/586841668.db2.gz FPQLNQSKCKOCSR-DOMZBBRYSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)C1CNC1 ZINC000817927369 586841670 /nfs/dbraw/zinc/84/16/70/586841670.db2.gz FPQLNQSKCKOCSR-DOMZBBRYSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H](NC[C@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935698 586843831 /nfs/dbraw/zinc/84/38/31/586843831.db2.gz DAPZERNYPLYUNQ-CBAPKCEASA-N 1 3 237.174 1.768 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H](C)CSC(C)(C)C ZINC000817969662 586856654 /nfs/dbraw/zinc/85/66/54/586856654.db2.gz GFMHMOWJVUCQCX-IUCAKERBSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@@](C[NH3+])(NC(=O)c1cccc(CN)c1)C1CC1 ZINC000818554555 586900267 /nfs/dbraw/zinc/90/02/67/586900267.db2.gz WKSYFRDTBWUNKH-AWEZNQCLSA-N 1 3 247.342 1.003 20 0 BDADHO C[C@@H]([NH2+]CCO)c1cccc(CN(C)C)c1 ZINC000820805895 587073501 /nfs/dbraw/zinc/07/35/01/587073501.db2.gz URVGREFEWJNEKS-LLVKDONJSA-N 1 3 222.332 1.391 20 0 BDADHO CCCCCCN(C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000834340780 587752720 /nfs/dbraw/zinc/75/27/20/587752720.db2.gz CMKKPNVPKOZSTK-LBPRGKRZSA-N 1 3 243.395 1.210 20 0 BDADHO C[C@H](CCCC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000834785488 587767039 /nfs/dbraw/zinc/76/70/39/587767039.db2.gz CPKWZVKUIPOSMA-LLVKDONJSA-N 1 3 249.358 1.393 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@H](O)C1CC1 ZINC000840733294 587918481 /nfs/dbraw/zinc/91/84/81/587918481.db2.gz PUIJQXKPKTXISG-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CC[NH+](CC)CCCNC[C@H](O)C1CC1 ZINC000840733294 587918479 /nfs/dbraw/zinc/91/84/79/587918479.db2.gz PUIJQXKPKTXISG-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO C[NH2+]CCCN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841042650 587935022 /nfs/dbraw/zinc/93/50/22/587935022.db2.gz OMNAUTFPNWHXCB-VWYCJHECSA-N 1 3 246.445 1.565 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841042650 587935023 /nfs/dbraw/zinc/93/50/23/587935023.db2.gz OMNAUTFPNWHXCB-VWYCJHECSA-N 1 3 246.445 1.565 20 0 BDADHO Cc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000841080306 587945010 /nfs/dbraw/zinc/94/50/10/587945010.db2.gz RJQXYKKULFLSPP-CYBMUJFWSA-N 1 3 231.343 1.622 20 0 BDADHO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2(C)C)CCO1 ZINC000841086627 587945690 /nfs/dbraw/zinc/94/56/90/587945690.db2.gz OSUSFAQJSDLLHZ-WOPDTQHZSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC2(C)C)CCO1 ZINC000841086621 587945992 /nfs/dbraw/zinc/94/59/92/587945992.db2.gz OSUSFAQJSDLLHZ-IJLUTSLNSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@H](C)CN1 ZINC000841849199 587977723 /nfs/dbraw/zinc/97/77/23/587977723.db2.gz BDYJILINOPUBTP-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO NCc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000841850723 587978360 /nfs/dbraw/zinc/97/83/60/587978360.db2.gz FGXXEJAGQPCJHL-CHWSQXEVSA-N 1 3 247.342 1.145 20 0 BDADHO [NH3+]CC1CCN(Cc2ccc3c(c2)COC3)CC1 ZINC000843046941 588075664 /nfs/dbraw/zinc/07/56/64/588075664.db2.gz ANRXNDMNNIYQPT-UHFFFAOYSA-N 1 3 246.354 1.888 20 0 BDADHO CC(C)(N)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000843067704 588078579 /nfs/dbraw/zinc/07/85/79/588078579.db2.gz HJBDDHZNABKVSR-NSHDSACASA-N 1 3 242.363 1.199 20 0 BDADHO CC(C)(N)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000843067704 588078580 /nfs/dbraw/zinc/07/85/80/588078580.db2.gz HJBDDHZNABKVSR-NSHDSACASA-N 1 3 242.363 1.199 20 0 BDADHO CC[C@H](NCCCCCC[NH3+])c1ccn(C)n1 ZINC000843342240 588100875 /nfs/dbraw/zinc/10/08/75/588100875.db2.gz OUBILCOYQLRTAJ-LBPRGKRZSA-N 1 3 238.379 1.980 20 0 BDADHO CC[C@@H](NCCCCCC[NH3+])c1ccn(C)n1 ZINC000843342238 588101086 /nfs/dbraw/zinc/10/10/86/588101086.db2.gz OUBILCOYQLRTAJ-GFCCVEGCSA-N 1 3 238.379 1.980 20 0 BDADHO CCCCOC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000843356487 588103335 /nfs/dbraw/zinc/10/33/35/588103335.db2.gz RVKKYUYISFEFSR-ZDUSSCGKSA-N 1 3 244.379 1.683 20 0 BDADHO Cn1cc(CNCCC2CC[NH+](C)CC2)cn1 ZINC000105454668 588173672 /nfs/dbraw/zinc/17/36/72/588173672.db2.gz DAGOHZMTTBNZGK-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCF)C2)C1 ZINC000846224773 588261682 /nfs/dbraw/zinc/26/16/82/588261682.db2.gz DFOXRSWUQNQLNK-QJPTWQEYSA-N 1 3 230.327 1.174 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848722719 588408871 /nfs/dbraw/zinc/40/88/71/588408871.db2.gz PUTRIVXEOOFGNB-KFWWJZLASA-N 1 3 248.370 1.888 20 0 BDADHO CC(C)N(CCNC(=[NH2+])NC1CCC1)C(C)C ZINC000848980885 588423597 /nfs/dbraw/zinc/42/35/97/588423597.db2.gz DCLRQXIAFKTOFT-UHFFFAOYSA-N 1 3 240.395 1.772 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NCCN1CCCC1(C)C ZINC000849039303 588446873 /nfs/dbraw/zinc/44/68/73/588446873.db2.gz REWIYKYGFSRHDE-LLVKDONJSA-N 1 3 240.395 1.773 20 0 BDADHO Cc1c(CNCC2=CC[N@H+](C)CC2)ccnc1F ZINC000862293814 589200304 /nfs/dbraw/zinc/20/03/04/589200304.db2.gz QKZXKJWHFLQIKU-UHFFFAOYSA-N 1 3 249.333 1.881 20 0 BDADHO Cc1c(CNCC2=CC[N@@H+](C)CC2)ccnc1F ZINC000862293814 589200305 /nfs/dbraw/zinc/20/03/05/589200305.db2.gz QKZXKJWHFLQIKU-UHFFFAOYSA-N 1 3 249.333 1.881 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000863482080 589292510 /nfs/dbraw/zinc/29/25/10/589292510.db2.gz RPVSJLPPUJFTSJ-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(c3ccnc(CO)c3)CC[C@H]21 ZINC000866208964 589480726 /nfs/dbraw/zinc/48/07/26/589480726.db2.gz MCFQAXQLYLPDSV-BXUZGUMPSA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(c3ccnc(CO)c3)CC[C@H]21 ZINC000866208964 589480727 /nfs/dbraw/zinc/48/07/27/589480727.db2.gz MCFQAXQLYLPDSV-BXUZGUMPSA-N 1 3 247.342 1.104 20 0 BDADHO [NH3+]CCCN1CCC[C@@H](OC2CCC2)CC1 ZINC000866697753 589512566 /nfs/dbraw/zinc/51/25/66/589512566.db2.gz XXBLKELUOLBVLO-CYBMUJFWSA-N 1 3 226.364 1.759 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697753 589512568 /nfs/dbraw/zinc/51/25/68/589512568.db2.gz XXBLKELUOLBVLO-CYBMUJFWSA-N 1 3 226.364 1.759 20 0 BDADHO NCCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000866697753 589512569 /nfs/dbraw/zinc/51/25/69/589512569.db2.gz XXBLKELUOLBVLO-CYBMUJFWSA-N 1 3 226.364 1.759 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141871 589882534 /nfs/dbraw/zinc/88/25/34/589882534.db2.gz XJHWUSKGPVEATO-QWHCGFSZSA-N 1 3 238.375 1.616 20 0 BDADHO COC(=O)CC[C@H]1CCCN(CCC[NH3+])C1 ZINC000872154792 589886029 /nfs/dbraw/zinc/88/60/29/589886029.db2.gz ZDZVITBMZWQFCG-LLVKDONJSA-N 1 3 228.336 1.000 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCOC2)C1 ZINC000872250915 589900407 /nfs/dbraw/zinc/90/04/07/589900407.db2.gz DTBMGGZYWORNNG-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH+](C)C1CCC(NCc2cnc(N)cn2)CC1 ZINC000873213975 589997018 /nfs/dbraw/zinc/99/70/18/589997018.db2.gz SXQRIDXIBOFDNA-UHFFFAOYSA-N 1 3 249.362 1.021 20 0 BDADHO COCCC1([NH2+]C[C@H]2C[C@@H]2C)CCNCC1 ZINC000873224473 590000712 /nfs/dbraw/zinc/00/07/12/590000712.db2.gz CMABJLYWNGBFHI-NWDGAFQWSA-N 1 3 226.364 1.391 20 0 BDADHO C(C[C@H]1CCOC1)[NH2+][C@]12CCC[C@@H]1NCC2 ZINC000873231050 590002673 /nfs/dbraw/zinc/00/26/73/590002673.db2.gz FQEALWBLVPQNCM-AVGNSLFASA-N 1 3 224.348 1.287 20 0 BDADHO C[C@@H](CCCCO)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234030 590003509 /nfs/dbraw/zinc/00/35/09/590003509.db2.gz BFYLAGHYTPBCHU-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H]1COCC[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873236503 590004136 /nfs/dbraw/zinc/00/41/36/590004136.db2.gz HQJXQJQZMGALTL-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873255707 590010621 /nfs/dbraw/zinc/01/06/21/590010621.db2.gz IKWWDNKJBKHMBP-QXEWZRGKSA-N 1 3 223.295 1.609 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255895 590011188 /nfs/dbraw/zinc/01/11/88/590011188.db2.gz KDZFXTJOGXDJIV-DBIOUOCHSA-N 1 3 220.320 1.216 20 0 BDADHO C[C@@H](N[C@@H](C)c1cnccn1)C1CC[NH2+]CC1 ZINC000873265604 590015090 /nfs/dbraw/zinc/01/50/90/590015090.db2.gz OPVNVBKZJVXNQT-MNOVXSKESA-N 1 3 234.347 1.515 20 0 BDADHO C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873270981 590015887 /nfs/dbraw/zinc/01/58/87/590015887.db2.gz DLFSHRFYDPTBNJ-GMXVVIOVSA-N 1 3 248.374 1.867 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CC(C)(C)CO1 ZINC000873281627 590019012 /nfs/dbraw/zinc/01/90/12/590019012.db2.gz NHCCDUQNOZOFRN-AGIUHOORSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873281627 590019015 /nfs/dbraw/zinc/01/90/15/590019015.db2.gz NHCCDUQNOZOFRN-AGIUHOORSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000876505075 590204327 /nfs/dbraw/zinc/20/43/27/590204327.db2.gz JZZUZHZOAGSPDN-VXGBXAGGSA-N 1 3 247.342 1.457 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877437967 590327858 /nfs/dbraw/zinc/32/78/58/590327858.db2.gz FFMJNGHHUUHRRV-NEPJUHHUSA-N 1 3 243.395 1.337 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCCO3)CC[C@@H]21 ZINC000877742082 590409900 /nfs/dbraw/zinc/40/99/00/590409900.db2.gz OKONTYMDENYIAI-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCCO3)CC[C@@H]21 ZINC000877742082 590409903 /nfs/dbraw/zinc/40/99/03/590409903.db2.gz OKONTYMDENYIAI-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CC(C)[C@@H](O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125200 590501437 /nfs/dbraw/zinc/50/14/37/590501437.db2.gz NVLUDHBEVPCPRL-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CC(C)[C@@H](O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125200 590501438 /nfs/dbraw/zinc/50/14/38/590501438.db2.gz NVLUDHBEVPCPRL-KGLIPLIRSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513501 /nfs/dbraw/zinc/51/35/01/590513501.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513503 /nfs/dbraw/zinc/51/35/03/590513503.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513505 /nfs/dbraw/zinc/51/35/05/590513505.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167258 590513507 /nfs/dbraw/zinc/51/35/07/590513507.db2.gz RBMYRHCLKSRUQC-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000879573758 590808971 /nfs/dbraw/zinc/80/89/71/590808971.db2.gz QWJXWJANJWPUAJ-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000879573758 590808974 /nfs/dbraw/zinc/80/89/74/590808974.db2.gz QWJXWJANJWPUAJ-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580867 590820431 /nfs/dbraw/zinc/82/04/31/590820431.db2.gz VDCBAHXXZBFNKK-MGPQQGTHSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580867 590820436 /nfs/dbraw/zinc/82/04/36/590820436.db2.gz VDCBAHXXZBFNKK-MGPQQGTHSA-N 1 3 240.391 1.419 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CC2(CCC2)CO1 ZINC000883441766 591669809 /nfs/dbraw/zinc/66/98/09/591669809.db2.gz XCKUNLKNKUTRHH-TUAOUCFPSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000883441766 591669813 /nfs/dbraw/zinc/66/98/13/591669813.db2.gz XCKUNLKNKUTRHH-TUAOUCFPSA-N 1 3 238.375 1.661 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000886613721 592275792 /nfs/dbraw/zinc/27/57/92/592275792.db2.gz CPOJKDPJDOGNRE-IJLUTSLNSA-N 1 3 242.363 1.115 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](NC[C@@H](C)C[NH+](C)C)C1 ZINC000886613721 592275797 /nfs/dbraw/zinc/27/57/97/592275797.db2.gz CPOJKDPJDOGNRE-IJLUTSLNSA-N 1 3 242.363 1.115 20 0 BDADHO C[C@@](C[NH3+])(NCCSC(F)(F)F)C1CC1 ZINC000886830676 592353242 /nfs/dbraw/zinc/35/32/42/592353242.db2.gz VWWOOKYASPMIFS-QMMMGPOBSA-N 1 3 242.310 1.956 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1N ZINC000886829435 592350420 /nfs/dbraw/zinc/35/04/20/592350420.db2.gz AFSBHTZEDXHHDU-MROQNXINSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1N ZINC000886829435 592350426 /nfs/dbraw/zinc/35/04/26/592350426.db2.gz AFSBHTZEDXHHDU-MROQNXINSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886829435 592350432 /nfs/dbraw/zinc/35/04/32/592350432.db2.gz AFSBHTZEDXHHDU-MROQNXINSA-N 1 3 224.348 1.082 20 0 BDADHO C([C@@H]1C[C@]12CCOC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000886832966 592355579 /nfs/dbraw/zinc/35/55/79/592355579.db2.gz QRANYWUFSKQWBS-IHRRRGAJSA-N 1 3 236.359 1.098 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886839841 592360231 /nfs/dbraw/zinc/36/02/31/592360231.db2.gz NGVKUTUNNVNHHS-DYEKYZERSA-N 1 3 238.375 1.391 20 0 BDADHO COC[C@H](C)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872480 592378179 /nfs/dbraw/zinc/37/81/79/592378179.db2.gz SYQZLIMOVJOACB-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCF ZINC000887132556 592449227 /nfs/dbraw/zinc/44/92/27/592449227.db2.gz IHQKSCWXPHBJCB-GFCCVEGCSA-N 1 3 237.322 1.952 20 0 BDADHO CC[C@@H](CNC(=[NH2+])NCC(F)F)N1CCCC1 ZINC000887348527 592484790 /nfs/dbraw/zinc/48/47/90/592484790.db2.gz MKMOPIZWOBFXGV-VIFPVBQESA-N 1 3 248.321 1.240 20 0 BDADHO C[NH+](C)CC(C)(C)CN[C@@H]1COCC1(C)C ZINC000313077044 634446519 /nfs/dbraw/zinc/44/65/19/634446519.db2.gz KNWRQJLUOAXMJL-LLVKDONJSA-N 1 3 228.380 1.589 20 0 BDADHO C([C@H]1CCCOC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000257697477 634470839 /nfs/dbraw/zinc/47/08/39/634470839.db2.gz PDWQJIFTQFDFOB-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO C([C@H]1CCCOC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000257697477 634470849 /nfs/dbraw/zinc/47/08/49/634470849.db2.gz PDWQJIFTQFDFOB-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccns1 ZINC000925731428 634563233 /nfs/dbraw/zinc/56/32/33/634563233.db2.gz KKTMGNNETYFEEM-ZYHUDNBSSA-N 1 3 239.388 1.663 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@]12CCC[C@H]1OCC2 ZINC000925834633 635483147 /nfs/dbraw/zinc/48/31/47/635483147.db2.gz XTMDGDGITLPDPC-AAVRWANBSA-N 1 3 238.375 1.676 20 0 BDADHO Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2N)nc1 ZINC000925878216 635605151 /nfs/dbraw/zinc/60/51/51/635605151.db2.gz RRZUJOJEOFKCNG-NWDGAFQWSA-N 1 3 234.347 1.271 20 0 BDADHO C[C@@H](NC(CN)C[NH3+])c1ccc(Cl)cc1 ZINC000309393812 632023627 /nfs/dbraw/zinc/02/36/27/632023627.db2.gz GHODZKCMAKUMKU-MRVPVSSYSA-N 1 3 227.739 1.277 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)C1CCC1 ZINC000926552954 632491115 /nfs/dbraw/zinc/49/11/15/632491115.db2.gz PUAZNIPYGUKWEZ-RBKKPWLPSA-N 1 3 238.375 1.077 20 0 BDADHO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000089145905 632657786 /nfs/dbraw/zinc/65/77/86/632657786.db2.gz BPBYEYCGWVYFNY-NWDGAFQWSA-N 1 3 241.379 1.010 20 0 BDADHO CCCNC(=O)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089145905 632657788 /nfs/dbraw/zinc/65/77/88/632657788.db2.gz BPBYEYCGWVYFNY-NWDGAFQWSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@@H](O)CC2CCCC2)C1 ZINC000310082811 632700874 /nfs/dbraw/zinc/70/08/74/632700874.db2.gz KQPKKVWPTIBQOL-KBPBESRZSA-N 1 3 240.391 1.598 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666358 632794399 /nfs/dbraw/zinc/79/43/99/632794399.db2.gz SWFLNFXPVPELKO-WYUUTHIRSA-N 1 3 249.362 1.214 20 0 BDADHO CO[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1C ZINC000299904463 635893364 /nfs/dbraw/zinc/89/33/64/635893364.db2.gz FIPIVYQXKZEJCS-FVCCEPFGSA-N 1 3 226.364 1.199 20 0 BDADHO CC1(C)C[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328575014 633779340 /nfs/dbraw/zinc/77/93/40/633779340.db2.gz XPCYRGCKGLTMHZ-ASHHDVGLSA-N 1 3 220.360 1.619 20 0 BDADHO COC[C@@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000053172614 633876097 /nfs/dbraw/zinc/87/60/97/633876097.db2.gz UMNFEARMHZPTFA-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H]1CCCCN1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925550455 633996168 /nfs/dbraw/zinc/99/61/68/633996168.db2.gz MPVBHHYCGLSLAZ-STQMWFEESA-N 1 3 239.407 1.591 20 0 BDADHO CN1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925565758 634060101 /nfs/dbraw/zinc/06/01/01/634060101.db2.gz XSXYQKCQQUIVHM-STQMWFEESA-N 1 3 237.391 1.345 20 0 BDADHO Cn1cc(CCCN[C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925576896 634079380 /nfs/dbraw/zinc/07/93/80/634079380.db2.gz LCAGMZZWGBFZBB-OLZOCXBDSA-N 1 3 248.374 1.212 20 0 BDADHO C[C@H](CCO)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925610120 634146755 /nfs/dbraw/zinc/14/67/55/634146755.db2.gz CMSDJNUBCWJVRW-WYUUTHIRSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](CCO)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925610120 634146758 /nfs/dbraw/zinc/14/67/58/634146758.db2.gz CMSDJNUBCWJVRW-WYUUTHIRSA-N 1 3 226.364 1.124 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925686898 634300489 /nfs/dbraw/zinc/30/04/89/634300489.db2.gz XKASFLKNQYZBGU-WRWGMCAJSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925686898 634300491 /nfs/dbraw/zinc/30/04/91/634300491.db2.gz XKASFLKNQYZBGU-WRWGMCAJSA-N 1 3 224.348 1.413 20 0 BDADHO CC1(C)CCC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925692970 634329373 /nfs/dbraw/zinc/32/93/73/634329373.db2.gz PZGWJIPUMIPUPK-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925696678 634354985 /nfs/dbraw/zinc/35/49/85/634354985.db2.gz YEQXSKQTAQBBSK-PYIXCIEVSA-N 1 3 234.387 1.865 20 0 BDADHO C(NC1CC[NH2+]CC1)[C@H]1CC2(CCC2)CO1 ZINC000925774498 635236375 /nfs/dbraw/zinc/23/63/75/635236375.db2.gz WBTQZHRRYLZTJT-GFCCVEGCSA-N 1 3 224.348 1.287 20 0 BDADHO C([NH2+]C1CCNCC1)[C@H]1CC2(CCC2)CO1 ZINC000925774498 635236383 /nfs/dbraw/zinc/23/63/83/635236383.db2.gz WBTQZHRRYLZTJT-GFCCVEGCSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@@H]1C[C@H](C)n2ccnc21 ZINC000925801584 635347320 /nfs/dbraw/zinc/34/73/20/635347320.db2.gz BLPXMPBCCBVOKP-YVECIDJPSA-N 1 3 248.374 1.724 20 0 BDADHO CC(C)N(C)CC[NH2+]C1CCN(C)CC1 ZINC000054110729 635388845 /nfs/dbraw/zinc/38/88/45/635388845.db2.gz OBDRRVCOWSMZAU-UHFFFAOYSA-N 1 3 213.369 1.010 20 0 BDADHO Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(N)n1 ZINC000107832615 635489531 /nfs/dbraw/zinc/48/95/31/635489531.db2.gz KDMIQKVXDCFEMM-SNVBAGLBSA-N 1 3 249.362 1.511 20 0 BDADHO CCC[C@H](O)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000925856229 635547839 /nfs/dbraw/zinc/54/78/39/635547839.db2.gz JPUIMLILGKTPPC-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO COc1ncccc1CNCC1CC[NH+](C)CC1 ZINC000054242801 636241062 /nfs/dbraw/zinc/24/10/62/636241062.db2.gz WPNSOMHUWOFMTR-UHFFFAOYSA-N 1 3 249.358 1.522 20 0 BDADHO CCCCN(CCO)CCC[NH2+]C1CC1 ZINC000042494618 637273532 /nfs/dbraw/zinc/27/35/32/637273532.db2.gz DBXPLBHCCOHQMA-UHFFFAOYSA-N 1 3 214.353 1.223 20 0 BDADHO [NH3+]C1CC(NCc2cc(-n3ccnc3)cs2)C1 ZINC000906509227 638180918 /nfs/dbraw/zinc/18/09/18/638180918.db2.gz BEWNUGIABXWLEX-UHFFFAOYSA-N 1 3 248.355 1.513 20 0 BDADHO COC[C@@H](C)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931312727 640140300 /nfs/dbraw/zinc/14/03/00/640140300.db2.gz YVCKSSFLFOAMOV-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO COC[C@@H](C)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931312727 640140308 /nfs/dbraw/zinc/14/03/08/640140308.db2.gz YVCKSSFLFOAMOV-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO CC[C@H](CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)OC ZINC000931317046 640142375 /nfs/dbraw/zinc/14/23/75/640142375.db2.gz MNQAMVPLZCLQRE-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CC[C@H](CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)OC ZINC000931317046 640142379 /nfs/dbraw/zinc/14/23/79/640142379.db2.gz MNQAMVPLZCLQRE-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CN(C)C1(C)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000931354686 640167007 /nfs/dbraw/zinc/16/70/07/640167007.db2.gz LUPHVZKMMQNULJ-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)[C@H]1CN(CC[NH+]2CCCC2)CCN1C ZINC000931549562 640271319 /nfs/dbraw/zinc/27/13/19/640271319.db2.gz FQGOVFOQEWPLMI-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO CC[NH+]1CCC(CNCc2cnccn2)CC1 ZINC000054766702 640407618 /nfs/dbraw/zinc/40/76/18/640407618.db2.gz LAGPZWOXZBAGND-UHFFFAOYSA-N 1 3 234.347 1.298 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)O ZINC000224234872 640604189 /nfs/dbraw/zinc/60/41/89/640604189.db2.gz XOSLWBJEDOSSKX-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CCCCCCO)C1 ZINC000226418773 640762541 /nfs/dbraw/zinc/76/25/41/640762541.db2.gz XKIDBSXYHJMQJA-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000227345084 640829406 /nfs/dbraw/zinc/82/94/06/640829406.db2.gz BRYMXAAMAAUUIW-MGPQQGTHSA-N 1 3 238.375 1.173 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000227345084 640829408 /nfs/dbraw/zinc/82/94/08/640829408.db2.gz BRYMXAAMAAUUIW-MGPQQGTHSA-N 1 3 238.375 1.173 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccc(CO)c1 ZINC000227457142 640833953 /nfs/dbraw/zinc/83/39/53/640833953.db2.gz RZIATJOLLFWXCS-KGLIPLIRSA-N 1 3 234.343 1.396 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccc(CO)c1 ZINC000227457149 640834636 /nfs/dbraw/zinc/83/46/36/640834636.db2.gz RZIATJOLLFWXCS-UONOGXRCSA-N 1 3 234.343 1.396 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229216464 640933819 /nfs/dbraw/zinc/93/38/19/640933819.db2.gz SCGXFQKVRUYMPM-NWDGAFQWSA-N 1 3 228.405 1.847 20 0 BDADHO CC[NH+]1CCC(NC[C@H]2COC(C)(C)O2)CC1 ZINC000230208431 641036606 /nfs/dbraw/zinc/03/66/06/641036606.db2.gz MBHJNCNLOZKBER-LBPRGKRZSA-N 1 3 242.363 1.212 20 0 BDADHO COCCCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000062868059 641103715 /nfs/dbraw/zinc/10/37/15/641103715.db2.gz YYAUKVJXEXYGBW-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO Cn1nccc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000231035318 641127943 /nfs/dbraw/zinc/12/79/43/641127943.db2.gz MMPSGKNJRDOAKP-GXTWGEPZSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1nccc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231035318 641127946 /nfs/dbraw/zinc/12/79/46/641127946.db2.gz MMPSGKNJRDOAKP-GXTWGEPZSA-N 1 3 248.374 1.179 20 0 BDADHO CN(C[C@H](O)CC1CCCC1)CC(C)(C)C[NH3+] ZINC000232148698 641250577 /nfs/dbraw/zinc/25/05/77/641250577.db2.gz NYLCBQNRWWIKQQ-CYBMUJFWSA-N 1 3 242.407 1.844 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000723122565 711506109 /nfs/dbraw/zinc/50/61/09/711506109.db2.gz QSQFDQZFABLETF-NDBYEHHHSA-N 1 3 210.365 1.949 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000723122565 711506112 /nfs/dbraw/zinc/50/61/12/711506112.db2.gz QSQFDQZFABLETF-NDBYEHHHSA-N 1 3 210.365 1.949 20 0 BDADHO CCN(C[C@H]1CCCO1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233514365 642678875 /nfs/dbraw/zinc/67/88/75/642678875.db2.gz MHCSCHGEZFLNAU-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CCN(C[C@@H]1CCCO1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000233463993 643347488 /nfs/dbraw/zinc/34/74/88/643347488.db2.gz MHCSCHGEZFLNAU-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC000082923081 643388140 /nfs/dbraw/zinc/38/81/40/643388140.db2.gz MVOWZINHGMSRFG-GHMZBOCLSA-N 1 3 214.353 1.374 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000230220127 643767830 /nfs/dbraw/zinc/76/78/30/643767830.db2.gz MKMJGPIGIBHCDQ-VXGBXAGGSA-N 1 3 228.380 1.502 20 0 BDADHO Cc1ccc([C@H](O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923330774 644348183 /nfs/dbraw/zinc/34/81/83/644348183.db2.gz IOCNDTFWJVXEMD-BPLDGKMQSA-N 1 3 248.370 1.698 20 0 BDADHO CC[C@@H]1CN(C[C@@H](O)CCC(C)C)CC[C@@H]1[NH3+] ZINC000923346015 644364080 /nfs/dbraw/zinc/36/40/80/644364080.db2.gz SWQQHKQQXKEVMD-RDBSUJKOSA-N 1 3 242.407 1.843 20 0 BDADHO NCC(CN)[NH2+]CCCc1ccc(Cl)cc1 ZINC000923352520 644370014 /nfs/dbraw/zinc/37/00/14/644370014.db2.gz WSKCTGVPYHVKRX-UHFFFAOYSA-N 1 3 241.766 1.148 20 0 BDADHO C[C@@H]1CN(CCC[NH2+]C2CC2)[C@H](C)CN1C ZINC000923370160 644380506 /nfs/dbraw/zinc/38/05/06/644380506.db2.gz DDXCQLFFDCPWIV-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1CCC[NH2+]C1CC1 ZINC000923370158 644380528 /nfs/dbraw/zinc/38/05/28/644380528.db2.gz DDXCQLFFDCPWIV-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)CC[C@H](O)CN(C)C1CC([NH3+])C1 ZINC000923362662 644385322 /nfs/dbraw/zinc/38/53/22/644385322.db2.gz MFABOAFJFZPFPJ-MCIGGMRASA-N 1 3 214.353 1.205 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@]2(C1)CCCOC2 ZINC000923395866 644403292 /nfs/dbraw/zinc/40/32/92/644403292.db2.gz WHIMVXFXPYBSIG-AWEZNQCLSA-N 1 3 238.375 1.631 20 0 BDADHO [NH3+]CC[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC000923481939 644460495 /nfs/dbraw/zinc/46/04/95/644460495.db2.gz VNQBTWVLWGRQQC-JTQLQIEISA-N 1 3 235.331 1.723 20 0 BDADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)nc(C)n1 ZINC000923492692 644467681 /nfs/dbraw/zinc/46/76/81/644467681.db2.gz CAHMSHVSMKXWBA-GWCFXTLKSA-N 1 3 248.374 1.510 20 0 BDADHO Cc1cc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)ncn1 ZINC000923493492 644469939 /nfs/dbraw/zinc/46/99/39/644469939.db2.gz HFJMTEISVLECLT-CMPLNLGQSA-N 1 3 234.347 1.202 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923533748 644489265 /nfs/dbraw/zinc/48/92/65/644489265.db2.gz NWMGTQDHQBMPDY-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923533748 644489267 /nfs/dbraw/zinc/48/92/67/644489267.db2.gz NWMGTQDHQBMPDY-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C[NH+](C)[C@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000091391635 644623988 /nfs/dbraw/zinc/62/39/88/644623988.db2.gz BUOGDNYPNDFSHH-ZDUSSCGKSA-N 1 3 235.331 1.104 20 0 BDADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)C1 ZINC000796749570 644813207 /nfs/dbraw/zinc/81/32/07/644813207.db2.gz YSEKCVPOPPREMU-DGAVXFQQSA-N 1 3 237.391 1.153 20 0 BDADHO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)n1 ZINC000252672819 644875655 /nfs/dbraw/zinc/87/56/55/644875655.db2.gz CZBHGXOQQSNSSI-QWRGUYRKSA-N 1 3 247.346 1.406 20 0 BDADHO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)n1 ZINC000252672819 644875659 /nfs/dbraw/zinc/87/56/59/644875659.db2.gz CZBHGXOQQSNSSI-QWRGUYRKSA-N 1 3 247.346 1.406 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCO1 ZINC000924541023 646060907 /nfs/dbraw/zinc/06/09/07/646060907.db2.gz AGSCJIWISZFGCM-FXJUQPSGSA-N 1 3 224.348 1.095 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccnnc1 ZINC000924648596 646086618 /nfs/dbraw/zinc/08/66/18/646086618.db2.gz MFVAUZWVLVHGHH-NWDGAFQWSA-N 1 3 246.358 1.612 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723627473 711527118 /nfs/dbraw/zinc/52/71/18/711527118.db2.gz DDAMORYRZBKPML-MROQNXINSA-N 1 3 226.364 1.376 20 0 BDADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)C1(Cl)CC1 ZINC000924757430 646102568 /nfs/dbraw/zinc/10/25/68/646102568.db2.gz OQWVTSCKOCWYDC-WDEREUQCSA-N 1 3 246.782 1.193 20 0 BDADHO C[C@H]([NH3+])[C@@H](N[C@H]1CCN(C)C1)c1ccccc1 ZINC000925488929 646299210 /nfs/dbraw/zinc/29/92/10/646299210.db2.gz WJRCIFVWELWFGT-FPMFFAJLSA-N 1 3 233.359 1.369 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCCNc1ccccn1 ZINC000925538566 646321466 /nfs/dbraw/zinc/32/14/66/646321466.db2.gz VBSHFOLRUGPWMU-CHWSQXEVSA-N 1 3 248.374 1.614 20 0 BDADHO CCOCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925564076 646337417 /nfs/dbraw/zinc/33/74/17/646337417.db2.gz XJMODRGMZZQBLK-KGLIPLIRSA-N 1 3 240.391 1.781 20 0 BDADHO CC1CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925613857 646351280 /nfs/dbraw/zinc/35/12/80/646351280.db2.gz UBOSKSYNKMDXLV-WXRRBKDZSA-N 1 3 226.364 1.391 20 0 BDADHO C1=CC[C@@H]([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925620635 646367946 /nfs/dbraw/zinc/36/79/46/646367946.db2.gz WKRJHEFQRJHHRE-NEPJUHHUSA-N 1 3 206.333 1.969 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCOCC2CCC2)C12CCC2 ZINC000925639711 646383390 /nfs/dbraw/zinc/38/33/90/646383390.db2.gz MWRMYYPQXJVJAH-STQMWFEESA-N 1 3 238.375 1.663 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H]1CCO ZINC000925641777 646384998 /nfs/dbraw/zinc/38/49/98/646384998.db2.gz BLOTUTXRHYAIHX-RNJOBUHISA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)(O)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925646451 646387077 /nfs/dbraw/zinc/38/70/77/646387077.db2.gz UYSADFLVBHBFKV-WOPDTQHZSA-N 1 3 240.391 1.514 20 0 BDADHO CC(C)(O)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925646451 646387082 /nfs/dbraw/zinc/38/70/82/646387082.db2.gz UYSADFLVBHBFKV-WOPDTQHZSA-N 1 3 240.391 1.514 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925646965 646387496 /nfs/dbraw/zinc/38/74/96/646387496.db2.gz YNMACCAQSUVXRF-LNFKQOIKSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925646965 646387497 /nfs/dbraw/zinc/38/74/97/646387497.db2.gz YNMACCAQSUVXRF-LNFKQOIKSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C[C@@H]1C ZINC000925648870 646389027 /nfs/dbraw/zinc/38/90/27/646389027.db2.gz YHACYBHANSKKOE-VOAKCMCISA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000925648867 646389201 /nfs/dbraw/zinc/38/92/01/646389201.db2.gz YHACYBHANSKKOE-FVCCEPFGSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925670544 646399993 /nfs/dbraw/zinc/39/99/93/646399993.db2.gz LXNGXPSMGPSITR-AGIUHOORSA-N 1 3 238.375 1.533 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1C[C@H]1C1CC1 ZINC000925688596 646414287 /nfs/dbraw/zinc/41/42/87/646414287.db2.gz FFPJAXGXGKRPED-AVGNSLFASA-N 1 3 220.360 1.907 20 0 BDADHO FC1(F)C[C@H]1CC[NH2+][C@H]1CCNC12CCC2 ZINC000925720068 646443744 /nfs/dbraw/zinc/44/37/44/646443744.db2.gz FDOLMKSWGRXABI-ZJUUUORDSA-N 1 3 230.302 1.906 20 0 BDADHO C[C@@H]([NH2+]CC(C)(C)CC(F)F)C1CNC1 ZINC000925733043 646457037 /nfs/dbraw/zinc/45/70/37/646457037.db2.gz FJISOADSACXTBP-MRVPVSSYSA-N 1 3 220.307 1.865 20 0 BDADHO Nc1ccnc(CN[C@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925768084 646469341 /nfs/dbraw/zinc/46/93/41/646469341.db2.gz SFUGGVMWHYEDCY-RYUDHWBXSA-N 1 3 232.331 1.023 20 0 BDADHO COC[C@H](C)[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000925771659 646473481 /nfs/dbraw/zinc/47/34/81/646473481.db2.gz ZLKMLBNGOOHDOG-VHSXEESVSA-N 1 3 237.347 1.534 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925779208 646477770 /nfs/dbraw/zinc/47/77/70/646477770.db2.gz ICESJGGNPANLAT-MBJXGIAVSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCCO1 ZINC000925781586 646477924 /nfs/dbraw/zinc/47/79/24/646477924.db2.gz IPJUMMLGFYJGSW-GARJFASQSA-N 1 3 248.317 1.388 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786707 646482778 /nfs/dbraw/zinc/48/27/78/646482778.db2.gz VDVOHIOMPJTHOC-GLXFQSAKSA-N 1 3 248.374 1.107 20 0 BDADHO CO[C@H](C)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396544583 711701507 /nfs/dbraw/zinc/70/15/07/711701507.db2.gz BPOBAGGWMGOPOS-VWYCJHECSA-N 1 3 200.326 1.142 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622189 711770965 /nfs/dbraw/zinc/77/09/65/711770965.db2.gz IVJRZULEFHURKF-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622189 711770966 /nfs/dbraw/zinc/77/09/66/711770966.db2.gz IVJRZULEFHURKF-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)CCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000703998015 712099000 /nfs/dbraw/zinc/09/90/00/712099000.db2.gz KMKZXMULKQKQSO-STQMWFEESA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CC(C)(C)CO2)C1 ZINC000708321757 712186263 /nfs/dbraw/zinc/18/62/63/712186263.db2.gz ACGBIZUZPUCNGT-XQQFMLRXSA-N 1 3 240.391 1.861 20 0 BDADHO CN(CCCCCC[NH3+])Cc1cn[nH]c1 ZINC000710713287 712255036 /nfs/dbraw/zinc/25/50/36/712255036.db2.gz GGNXLSHGVGSZON-UHFFFAOYSA-N 1 3 210.325 1.361 20 0 BDADHO C=C/C=C\CC[NH+]1CCC(NCCO)CC1 ZINC000713757059 712472064 /nfs/dbraw/zinc/47/20/64/712472064.db2.gz DLFOBGCFGQFFTD-ARJAWSKDSA-N 1 3 224.348 1.165 20 0 BDADHO CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000717282041 712644606 /nfs/dbraw/zinc/64/46/06/712644606.db2.gz FWZOXMFFAWVCDN-JHJVBQTASA-N 1 3 240.391 1.909 20 0 BDADHO CC1(C)CO[C@H](CC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000717282050 712644644 /nfs/dbraw/zinc/64/46/44/712644644.db2.gz FWZOXMFFAWVCDN-YNEHKIRRSA-N 1 3 240.391 1.909 20 0 BDADHO COCC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000718793710 712784159 /nfs/dbraw/zinc/78/41/59/712784159.db2.gz XCCVMNBDENQOEB-VXGBXAGGSA-N 1 3 228.380 1.766 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723630072 710730060 /nfs/dbraw/zinc/73/00/60/710730060.db2.gz VSRLDGUYJWPNQZ-SDDRHHMPSA-N 1 3 212.337 1.130 20 0 BDADHO C1CCC(N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000382117202 710794355 /nfs/dbraw/zinc/79/43/55/710794355.db2.gz FTQKWNLVVBCPFA-XZPDDHLCSA-N 1 3 206.333 1.515 20 0 BDADHO C(CN1CCCCC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385547806 711014888 /nfs/dbraw/zinc/01/48/88/711014888.db2.gz WFDAYFSEVOIWDX-LXFSFDBISA-N 1 3 249.402 1.058 20 0 BDADHO C[C@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC1 ZINC000392838468 711153086 /nfs/dbraw/zinc/15/30/86/711153086.db2.gz PAMKMLHUDATVDK-ZNPZWULMSA-N 1 3 220.360 1.761 20 0 BDADHO CC(C)COCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396689085 711364456 /nfs/dbraw/zinc/36/44/56/711364456.db2.gz ZQAMFEGNBYFYKM-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@@]2(C)CCC[NH2+]C2)O1 ZINC000398133834 711402089 /nfs/dbraw/zinc/40/20/89/711402089.db2.gz WSHGMDFUJKYXQB-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@H](CN1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000721915867 710690946 /nfs/dbraw/zinc/69/09/46/710690946.db2.gz VXMGPVUWCBEYEA-SRVKXCTJSA-N 1 3 214.353 1.327 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1)C(C)C ZINC000721963724 710693618 /nfs/dbraw/zinc/69/36/18/710693618.db2.gz LDXYPUIHVWRJTG-RDBSUJKOSA-N 1 3 242.407 1.822 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H](C)[C@@H](CN)C1)C(C)C ZINC000721963724 710693620 /nfs/dbraw/zinc/69/36/20/710693620.db2.gz LDXYPUIHVWRJTG-RDBSUJKOSA-N 1 3 242.407 1.822 20 0 BDADHO CC[NH+]1CCC(NCc2cc[nH]c(=O)c2)CC1 ZINC000392634562 711149854 /nfs/dbraw/zinc/14/98/54/711149854.db2.gz LKMFXRJILBAJGU-UHFFFAOYSA-N 1 3 235.331 1.361 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCOCC1CC1 ZINC000396618003 711361998 /nfs/dbraw/zinc/36/19/98/711361998.db2.gz UCGHHBLZSUVKAZ-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO CCC1(CN[C@H]2CCC[NH2+][C@@H]2C)COC1 ZINC000396705444 711365848 /nfs/dbraw/zinc/36/58/48/711365848.db2.gz JCKKCYKUPOWCMF-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCCn1ccnc1 ZINC000396723702 711368745 /nfs/dbraw/zinc/36/87/45/711368745.db2.gz UXWYUYQHLGPYFC-VXGBXAGGSA-N 1 3 222.336 1.003 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000712557932 711472834 /nfs/dbraw/zinc/47/28/34/711472834.db2.gz OWGAEQBBDADNTN-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO Cc1cn(C)nc1CN(C)C1CCC([NH3+])CC1 ZINC000723495393 711513151 /nfs/dbraw/zinc/51/31/51/711513151.db2.gz PRDLJUOJPVXADK-UHFFFAOYSA-N 1 3 236.363 1.430 20 0 BDADHO C1CC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CCN1 ZINC000723648566 711530353 /nfs/dbraw/zinc/53/03/53/711530353.db2.gz VROGWZWZKJEUOG-YRGRVCCFSA-N 1 3 238.375 1.533 20 0 BDADHO Cc1cc(CN2CC[C@@H](CC[NH3+])C2)on1 ZINC000723691785 711533928 /nfs/dbraw/zinc/53/39/28/711533928.db2.gz URUYQBNLXSKNHT-SNVBAGLBSA-N 1 3 209.293 1.154 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H](O)CC2CCCC2)C1 ZINC000310082814 711703095 /nfs/dbraw/zinc/70/30/95/711703095.db2.gz KQPKKVWPTIBQOL-ZIAGYGMSSA-N 1 3 240.391 1.598 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCCO ZINC000236260860 711761591 /nfs/dbraw/zinc/76/15/91/711761591.db2.gz HJZAQTYHJLTYEH-STQMWFEESA-N 1 3 228.380 1.646 20 0 BDADHO COCCN(CCF)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000700383990 711991509 /nfs/dbraw/zinc/99/15/09/711991509.db2.gz GHHDPTDSMTWNQT-NWDGAFQWSA-N 1 3 232.343 1.292 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCO[C@@H](CCF)C2)C1 ZINC000700555853 711997185 /nfs/dbraw/zinc/99/71/85/711997185.db2.gz IUEUVKUPWGNCJS-TUAOUCFPSA-N 1 3 230.327 1.174 20 0 BDADHO CN1CCCC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000700819913 712007168 /nfs/dbraw/zinc/00/71/68/712007168.db2.gz VZDMRZJXJLUGKI-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CN1CC[C@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000703534739 712077976 /nfs/dbraw/zinc/07/79/76/712077976.db2.gz LYJLVFDMTFCKSB-QNWHQSFQSA-N 1 3 237.391 1.057 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000703619359 712081233 /nfs/dbraw/zinc/08/12/33/712081233.db2.gz QRGGMOWFICLVLB-CZXHOFHRSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703619359 712081235 /nfs/dbraw/zinc/08/12/35/712081235.db2.gz QRGGMOWFICLVLB-CZXHOFHRSA-N 1 3 240.391 1.514 20 0 BDADHO COC1CC(CN2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000703855411 712090899 /nfs/dbraw/zinc/09/08/99/712090899.db2.gz LUKKIOZBLHVARG-BPCQOVAHSA-N 1 3 224.348 1.097 20 0 BDADHO COC1CC(C[N@@H+]2CCC[C@H](C)[C@H]2CCN)C1 ZINC000703866784 712091568 /nfs/dbraw/zinc/09/15/68/712091568.db2.gz OTXNXOXRTOGFQK-GFJIZPEISA-N 1 3 240.391 1.861 20 0 BDADHO COC1CC(C[N@H+]2CCC[C@H](C)[C@H]2CCN)C1 ZINC000703866784 712091570 /nfs/dbraw/zinc/09/15/70/712091570.db2.gz OTXNXOXRTOGFQK-GFJIZPEISA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H](NC1CCC(C)(O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000705832020 712136724 /nfs/dbraw/zinc/13/67/24/712136724.db2.gz SCHLDNKZAPEZQU-ZIHBUVQPSA-N 1 3 240.391 1.800 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CC(C)(C)CO2)C1 ZINC000708321755 712186669 /nfs/dbraw/zinc/18/66/69/712186669.db2.gz ACGBIZUZPUCNGT-RWMBFGLXSA-N 1 3 240.391 1.861 20 0 BDADHO CC1(C)C[C@@H](CN2CC[C@H]([NH3+])C2)C(C)(C)O1 ZINC000709689616 712215439 /nfs/dbraw/zinc/21/54/39/712215439.db2.gz WNDXHNYZUWLRLL-QWRGUYRKSA-N 1 3 226.364 1.613 20 0 BDADHO CC1(C)C[C@@H](C[N@@H+]2CC[C@@H](CN)C2)C(C)(C)O1 ZINC000709687396 712215523 /nfs/dbraw/zinc/21/55/23/712215523.db2.gz PRRAMGNZXOOCNC-RYUDHWBXSA-N 1 3 240.391 1.861 20 0 BDADHO CC1(C)C[C@@H](C[N@H+]2CC[C@@H](CN)C2)C(C)(C)O1 ZINC000709687396 712215524 /nfs/dbraw/zinc/21/55/24/712215524.db2.gz PRRAMGNZXOOCNC-RYUDHWBXSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@H](C)NC(=O)CN(C)CCCCCC[NH3+] ZINC000710749608 712255246 /nfs/dbraw/zinc/25/52/46/712255246.db2.gz IVNJTSSUFNTOCL-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@@H]1COC[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878218 712260805 /nfs/dbraw/zinc/26/08/05/712260805.db2.gz YZDFCQHKTVCPAE-ZYHUDNBSSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@]1(CN2CCC[C@H](CF)C2)CC[NH2+]C1 ZINC000711454817 712304306 /nfs/dbraw/zinc/30/43/06/712304306.db2.gz NKDZCOTZKJSTFP-NEPJUHHUSA-N 1 3 214.328 1.668 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCOC2CC2)C1 ZINC000711734117 712320887 /nfs/dbraw/zinc/32/08/87/712320887.db2.gz YHZCOBCERANOFQ-WDEREUQCSA-N 1 3 212.337 1.225 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438266 712429705 /nfs/dbraw/zinc/42/97/05/712429705.db2.gz NURBPEZGRWNXPL-STQMWFEESA-N 1 3 238.375 1.759 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000714700818 712495641 /nfs/dbraw/zinc/49/56/41/712495641.db2.gz PXRYQQCFCFMZGX-ZDEQEGDKSA-N 1 3 226.364 1.519 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@H](NCc2cc[nH]c(=O)c2)C1 ZINC000715217477 712513636 /nfs/dbraw/zinc/51/36/36/712513636.db2.gz HXTIMBWDOPAQKC-STQMWFEESA-N 1 3 249.358 1.750 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715567452 712528555 /nfs/dbraw/zinc/52/85/55/712528555.db2.gz DZZHXCYAXUMNLE-MQYQWHSLSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715567452 712528557 /nfs/dbraw/zinc/52/85/57/712528557.db2.gz DZZHXCYAXUMNLE-MQYQWHSLSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720291370 712830389 /nfs/dbraw/zinc/83/03/89/712830389.db2.gz FBCGRZRNLHQDFX-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO Cc1cc(CN2CCC([C@@H](C)[NH3+])CC2)c(C)nn1 ZINC000720569847 712851895 /nfs/dbraw/zinc/85/18/95/712851895.db2.gz NDUMZFCXOXEMDY-LLVKDONJSA-N 1 3 248.374 1.653 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](CO)C1CC1 ZINC000380304915 712865499 /nfs/dbraw/zinc/86/54/99/712865499.db2.gz FJCLHPBWOFNMBD-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](CO)C1CC1 ZINC000380304915 712865502 /nfs/dbraw/zinc/86/55/02/712865502.db2.gz FJCLHPBWOFNMBD-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CC(C)[C@H](CCO)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033062 958488594 /nfs/dbraw/zinc/48/85/94/958488594.db2.gz MWOJHBNFDJKCPG-UTUOFQBUSA-N 1 3 214.353 1.124 20 0 BDADHO COCCCC[N@@H+]1CCCC[C@H](CN)C1 ZINC000308855823 959520847 /nfs/dbraw/zinc/52/08/47/959520847.db2.gz OAWNWRVIDLHUPY-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCC[N@H+]1CCCC[C@H](CN)C1 ZINC000308855823 959520866 /nfs/dbraw/zinc/52/08/66/959520866.db2.gz OAWNWRVIDLHUPY-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO C[NH2+]CCCN(C)[C@H]1CC[C@@H](SC)C1 ZINC000309083877 959595640 /nfs/dbraw/zinc/59/56/40/959595640.db2.gz UPDOIUHQJOIIIV-WDEREUQCSA-N 1 3 216.394 1.812 20 0 BDADHO C[NH2+]CCCN(C)[C@@H]1CC[C@H](SC)C1 ZINC000309083875 959596378 /nfs/dbraw/zinc/59/63/78/959596378.db2.gz UPDOIUHQJOIIIV-MNOVXSKESA-N 1 3 216.394 1.812 20 0 BDADHO C[NH2+]CCCN(C)[C@H]1CC[C@H](SC)C1 ZINC000309083876 959596764 /nfs/dbraw/zinc/59/67/64/959596764.db2.gz UPDOIUHQJOIIIV-QWRGUYRKSA-N 1 3 216.394 1.812 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H](O)CC2CCCC2)C1 ZINC000300032673 959827698 /nfs/dbraw/zinc/82/76/98/959827698.db2.gz SZVOCQACKZHWRI-UONOGXRCSA-N 1 3 240.391 1.469 20 0 BDADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]C(C)C ZINC001267827506 960410617 /nfs/dbraw/zinc/41/06/17/960410617.db2.gz KIWWMDGJRBGHGG-RYUDHWBXSA-N 1 3 243.395 1.219 20 0 BDADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)CCC ZINC001272158140 964291043 /nfs/dbraw/zinc/29/10/43/964291043.db2.gz CBKSBYJVAMNMEO-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)CCC ZINC001272158140 964291051 /nfs/dbraw/zinc/29/10/51/964291051.db2.gz CBKSBYJVAMNMEO-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CCOC[C@H]1C)N(C)C ZINC000697891324 964648847 /nfs/dbraw/zinc/64/88/47/964648847.db2.gz RLPBRZIHCRKVBK-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCC(C)(C)F ZINC000698235478 965120749 /nfs/dbraw/zinc/12/07/49/965120749.db2.gz FCSKFQAYLJQWMB-ZJUUUORDSA-N 1 3 202.317 1.855 20 0 BDADHO C[C@H](C[NH+](C)C)Nc1c[nH]cc2ccnc1-2 ZINC001163776546 965583702 /nfs/dbraw/zinc/58/37/02/965583702.db2.gz CWBGCGYJQOULLB-SECBINFHSA-N 1 3 218.304 1.925 20 0 BDADHO C[C@H](C[NH+](C)C)Nc1cncc2cc[nH]c21 ZINC001163776546 965583705 /nfs/dbraw/zinc/58/37/05/965583705.db2.gz CWBGCGYJQOULLB-SECBINFHSA-N 1 3 218.304 1.925 20 0 BDADHO CCC(=O)C(C)(C)C[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130459 965931039 /nfs/dbraw/zinc/93/10/39/965931039.db2.gz FDRLWRMHYSCDGH-WDEREUQCSA-N 1 3 226.364 1.518 20 0 BDADHO CCC(=O)C(C)(C)C[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001205130459 965931046 /nfs/dbraw/zinc/93/10/46/965931046.db2.gz FDRLWRMHYSCDGH-WDEREUQCSA-N 1 3 226.364 1.518 20 0 BDADHO CCC[N@H+](CCCN(C)C)CC(OC)OC ZINC001207255018 968698676 /nfs/dbraw/zinc/69/86/76/968698676.db2.gz JCUUMOLWVHSOAD-UHFFFAOYSA-N 1 3 232.368 1.269 20 0 BDADHO CCC[N@@H+](CCCN(C)C)CC(OC)OC ZINC001207255018 968698686 /nfs/dbraw/zinc/69/86/86/968698686.db2.gz JCUUMOLWVHSOAD-UHFFFAOYSA-N 1 3 232.368 1.269 20 0 BDADHO CN1CCN(CC(C)(C)C[NH+](C)C)CC1(C)C ZINC001207282462 968719362 /nfs/dbraw/zinc/71/93/62/968719362.db2.gz KARSADLVTLRRAF-UHFFFAOYSA-N 1 3 241.423 1.600 20 0 BDADHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)CCC1=O ZINC001207395928 968750157 /nfs/dbraw/zinc/75/01/57/968750157.db2.gz ZSISFTMGHAOGAF-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)CCC1=O ZINC001207395928 968750165 /nfs/dbraw/zinc/75/01/65/968750165.db2.gz ZSISFTMGHAOGAF-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO CC[NH+]1CCC(CN(C)C2(C)COC2)CC1 ZINC001208597536 969151056 /nfs/dbraw/zinc/15/10/56/969151056.db2.gz IXUPYPISLNITML-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO COCCN1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209209664 969397943 /nfs/dbraw/zinc/39/79/43/969397943.db2.gz DXJWCRFBNVOWSD-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO COCCN1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001209209664 969397951 /nfs/dbraw/zinc/39/79/51/969397951.db2.gz DXJWCRFBNVOWSD-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO COCC[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209209664 969397954 /nfs/dbraw/zinc/39/79/54/969397954.db2.gz DXJWCRFBNVOWSD-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO COCC[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001209209664 969397961 /nfs/dbraw/zinc/39/79/61/969397961.db2.gz DXJWCRFBNVOWSD-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CCCN1C[C@@H]2C[NH+](C[C@@H]3C[C@H]3C)C[C@H]2C1 ZINC001209430015 969500659 /nfs/dbraw/zinc/50/06/59/969500659.db2.gz IYICIFHLGUBVEF-XJFOESAGSA-N 1 3 222.376 1.916 20 0 BDADHO CN(C[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522581 969706734 /nfs/dbraw/zinc/70/67/34/969706734.db2.gz HKIXQACJLYXNDO-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522581 969706742 /nfs/dbraw/zinc/70/67/42/969706742.db2.gz HKIXQACJLYXNDO-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@H](C)C1CN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532104 969724940 /nfs/dbraw/zinc/72/49/40/969724940.db2.gz PDCFXONGLUDKDZ-DGCLKSJQSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)C1CN([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532104 969724948 /nfs/dbraw/zinc/72/49/48/969724948.db2.gz PDCFXONGLUDKDZ-DGCLKSJQSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@@H](C)C1CN([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532103 969726508 /nfs/dbraw/zinc/72/65/08/969726508.db2.gz PDCFXONGLUDKDZ-AAEUAGOBSA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@@H](C)C1CN([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532103 969726519 /nfs/dbraw/zinc/72/65/19/969726519.db2.gz PDCFXONGLUDKDZ-AAEUAGOBSA-N 1 3 226.364 1.437 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255038428 969859963 /nfs/dbraw/zinc/85/99/63/969859963.db2.gz BSBJXZCWYWZQMQ-NEPJUHHUSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255038428 969859966 /nfs/dbraw/zinc/85/99/66/969859966.db2.gz BSBJXZCWYWZQMQ-NEPJUHHUSA-N 1 3 224.348 1.049 20 0 BDADHO CC[C@@H](O)CN[C@H](C)CC[NH+](CC)CC ZINC001255942156 970566136 /nfs/dbraw/zinc/56/61/36/970566136.db2.gz DUDRSRJMJCQSSJ-VXGBXAGGSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H](C)CCN(CC)CC ZINC001255942156 970566147 /nfs/dbraw/zinc/56/61/47/970566147.db2.gz DUDRSRJMJCQSSJ-VXGBXAGGSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC001255945924 970576143 /nfs/dbraw/zinc/57/61/43/970576143.db2.gz PQNUZDBHVCQSKT-NSHDSACASA-N 1 3 243.395 1.208 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCC(C)(C)C(N)=O ZINC001255945924 970576151 /nfs/dbraw/zinc/57/61/51/970576151.db2.gz PQNUZDBHVCQSKT-NSHDSACASA-N 1 3 243.395 1.208 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC001255946333 970584438 /nfs/dbraw/zinc/58/44/38/970584438.db2.gz SLLGWNDVBIVSOK-AVGNSLFASA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC001255954782 970586699 /nfs/dbraw/zinc/58/66/99/970586699.db2.gz HZIWPJQBRBHNGM-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@H](CO)C1 ZINC001255954782 970586713 /nfs/dbraw/zinc/58/67/13/970586713.db2.gz HZIWPJQBRBHNGM-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000400986568 970651396 /nfs/dbraw/zinc/65/13/96/970651396.db2.gz UPBDZZKTECLAOT-WNYYMSAVSA-N 1 3 241.379 1.136 20 0 BDADHO CN(C)CC1(C[N@H+](C)CCO)CCCC1 ZINC001236253056 979470651 /nfs/dbraw/zinc/47/06/51/979470651.db2.gz JJFDPJAMACNQKS-UHFFFAOYSA-N 1 3 214.353 1.033 20 0 BDADHO CN(C)CC1(C[N@@H+](C)CCO)CCCC1 ZINC001236253056 979470657 /nfs/dbraw/zinc/47/06/57/979470657.db2.gz JJFDPJAMACNQKS-UHFFFAOYSA-N 1 3 214.353 1.033 20 0 BDADHO CCC[C@H](CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)OC ZINC001184066058 979930546 /nfs/dbraw/zinc/93/05/46/979930546.db2.gz KOJHDTFSLNOKFP-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CCC[C@H](CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)OC ZINC001184066058 979930553 /nfs/dbraw/zinc/93/05/53/979930553.db2.gz KOJHDTFSLNOKFP-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CCCN1C[C@H]2C[NH+](CC(C)C)C[C@@H]2C1 ZINC001201478457 983281103 /nfs/dbraw/zinc/28/11/03/983281103.db2.gz KOSUUMNBNGHQKO-STQMWFEESA-N 1 3 210.365 1.916 20 0 BDADHO CCOCC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172416989 974687446 /nfs/dbraw/zinc/68/74/46/974687446.db2.gz PWOIAANSGRBXCB-WDEREUQCSA-N 1 3 202.342 1.328 20 0 BDADHO CCOCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172416989 974687452 /nfs/dbraw/zinc/68/74/52/974687452.db2.gz PWOIAANSGRBXCB-WDEREUQCSA-N 1 3 202.342 1.328 20 0 BDADHO CCOCC[C@H](C)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172427128 974704045 /nfs/dbraw/zinc/70/40/45/974704045.db2.gz MRHIIFWNGHGHEA-BFHYXJOUSA-N 1 3 240.391 1.685 20 0 BDADHO CCOCC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001172433893 974719448 /nfs/dbraw/zinc/71/94/48/974719448.db2.gz SLLQIFQTWPASGP-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1C[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553609 972744959 /nfs/dbraw/zinc/74/49/59/972744959.db2.gz BNEOQQJGGNXRRC-HBNTYKKESA-N 1 3 248.317 1.470 20 0 BDADHO C1CC([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256675808 970913001 /nfs/dbraw/zinc/91/30/01/970913001.db2.gz JHMQJDYGSJROGB-UHFFFAOYSA-N 1 3 238.375 1.772 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@H](O)[C@H](C)C2)CC1 ZINC001257214343 971129921 /nfs/dbraw/zinc/12/99/21/971129921.db2.gz BRYZUXBJYIHLOH-OCCSQVGLSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[NH+]1CCC(N(C)[C@H]2CCCOC2)CC1 ZINC001257223466 971132628 /nfs/dbraw/zinc/13/26/28/971132628.db2.gz QPRVILUUGWWEGM-AWEZNQCLSA-N 1 3 240.391 1.970 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405203094 971207297 /nfs/dbraw/zinc/20/72/97/971207297.db2.gz BVCXZJCYAIZGIE-HBNTYKKESA-N 1 3 212.337 1.007 20 0 BDADHO CCC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203094 971207304 /nfs/dbraw/zinc/20/73/04/971207304.db2.gz BVCXZJCYAIZGIE-HBNTYKKESA-N 1 3 212.337 1.007 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203599 971209069 /nfs/dbraw/zinc/20/90/69/971209069.db2.gz CCJQYMPDPYDYBT-UKKRHICBSA-N 1 3 212.337 1.005 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000405212244 971210393 /nfs/dbraw/zinc/21/03/93/971210393.db2.gz IOOXAQYQRUNWGO-DDHJBXDOSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](N)C23CCC3)O1 ZINC000405212244 971210406 /nfs/dbraw/zinc/21/04/06/971210406.db2.gz IOOXAQYQRUNWGO-DDHJBXDOSA-N 1 3 224.348 1.413 20 0 BDADHO CO[C@@H]([C@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405284910 971228693 /nfs/dbraw/zinc/22/86/93/971228693.db2.gz VMQFKVUBCGFIFF-SQNXGDPESA-N 1 3 238.375 1.659 20 0 BDADHO C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405294381 971229981 /nfs/dbraw/zinc/22/99/81/971229981.db2.gz FMYREWQOKAEESN-IJLUTSLNSA-N 1 3 234.347 1.131 20 0 BDADHO CS[C@H](C)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405318369 971230400 /nfs/dbraw/zinc/23/04/00/971230400.db2.gz QFGPJFPRVKGKJV-OPRDCNLKSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@H]([NH3+])c1ccc(N[C@@H](C)[C@@H]2CNCCO2)cc1 ZINC001170575480 971231830 /nfs/dbraw/zinc/23/18/30/971231830.db2.gz XJBGQFWJWBRDOG-MJVIPROJSA-N 1 3 249.358 1.495 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCCO2)C12CCC2 ZINC000405367915 971241414 /nfs/dbraw/zinc/24/14/14/971241414.db2.gz XKURVDCOKOXVPE-QJPTWQEYSA-N 1 3 224.348 1.415 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C12CCC2 ZINC000405367915 971241427 /nfs/dbraw/zinc/24/14/27/971241427.db2.gz XKURVDCOKOXVPE-QJPTWQEYSA-N 1 3 224.348 1.415 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405376579 971245934 /nfs/dbraw/zinc/24/59/34/971245934.db2.gz BNXRSQTVNUZZGN-TUAOUCFPSA-N 1 3 224.348 1.007 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405411541 971254061 /nfs/dbraw/zinc/25/40/61/971254061.db2.gz NGBCXAZPETVUEF-SRVKXCTJSA-N 1 3 226.364 1.253 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405411541 971254075 /nfs/dbraw/zinc/25/40/75/971254075.db2.gz NGBCXAZPETVUEF-SRVKXCTJSA-N 1 3 226.364 1.253 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCO2)C12CCC2 ZINC000405506319 971266191 /nfs/dbraw/zinc/26/61/91/971266191.db2.gz RXYURRRVNDAPGO-GMTAPVOTSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)C12CCC2 ZINC000405506319 971266199 /nfs/dbraw/zinc/26/61/99/971266199.db2.gz RXYURRRVNDAPGO-GMTAPVOTSA-N 1 3 210.321 1.025 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)C1 ZINC000405694486 971293987 /nfs/dbraw/zinc/29/39/87/971293987.db2.gz XPCINSWCSVVHGF-UMSGYPCISA-N 1 3 226.364 1.341 20 0 BDADHO CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001257381146 971298046 /nfs/dbraw/zinc/29/80/46/971298046.db2.gz JCEIZUXDCBSVKJ-NWDGAFQWSA-N 1 3 244.379 1.683 20 0 BDADHO CCCCOC(=O)CC[C@@H](C)NC[C@@H](C)C[NH3+] ZINC001257381146 971298057 /nfs/dbraw/zinc/29/80/57/971298057.db2.gz JCEIZUXDCBSVKJ-NWDGAFQWSA-N 1 3 244.379 1.683 20 0 BDADHO COC(=O)C1CCC([N@@H+]2CCC[C@H](N)C2)CC1 ZINC001257854666 971506338 /nfs/dbraw/zinc/50/63/38/971506338.db2.gz GPOQIXALODRGDR-CXQJBGSLSA-N 1 3 240.347 1.141 20 0 BDADHO COC(=O)C1CCC([N@H+]2CCC[C@H](N)C2)CC1 ZINC001257854666 971506345 /nfs/dbraw/zinc/50/63/45/971506345.db2.gz GPOQIXALODRGDR-CXQJBGSLSA-N 1 3 240.347 1.141 20 0 BDADHO CC(C)CN1CCC([NH2+]C[C@H](O)CF)CC1 ZINC001258009302 971553939 /nfs/dbraw/zinc/55/39/39/971553939.db2.gz UMERRFUMKUDBFI-GFCCVEGCSA-N 1 3 232.343 1.027 20 0 BDADHO CC(C)CN1CCC([NH+]2CCC(O)CC2)CC1 ZINC001258011700 971551702 /nfs/dbraw/zinc/55/17/02/971551702.db2.gz ONDBLTMCJWUMRQ-UHFFFAOYSA-N 1 3 240.391 1.564 20 0 BDADHO CN(C)Cc1ccnc(N2CC[NH2+]C3(CC3)C2)c1 ZINC001158944921 971592451 /nfs/dbraw/zinc/59/24/51/971592451.db2.gz XRZSMUOPQIOIQR-UHFFFAOYSA-N 1 3 246.358 1.085 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729757 971670119 /nfs/dbraw/zinc/67/01/19/971670119.db2.gz GJDWLBIQLYBQJX-YFKTTZPYSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729757 971670124 /nfs/dbraw/zinc/67/01/24/971670124.db2.gz GJDWLBIQLYBQJX-YFKTTZPYSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1CNC2 ZINC001218411756 971782704 /nfs/dbraw/zinc/78/27/04/971782704.db2.gz AOTMHAZXUDSFJM-ZWNOBZJWSA-N 1 3 232.327 1.667 20 0 BDADHO C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1CNC2 ZINC001218411754 971782913 /nfs/dbraw/zinc/78/29/13/971782913.db2.gz AOTMHAZXUDSFJM-GXFFZTMASA-N 1 3 232.327 1.667 20 0 BDADHO CC[C@@H](C)C[NH2+]CCNC(=O)CN(CC)CC ZINC001135510814 971904610 /nfs/dbraw/zinc/90/46/10/971904610.db2.gz GCCTUNQNZPOKPT-GFCCVEGCSA-N 1 3 243.395 1.080 20 0 BDADHO CC(C)c1ccccc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218813299 971945004 /nfs/dbraw/zinc/94/50/04/971945004.db2.gz ZDGVDFOVOIMQJK-GFCCVEGCSA-N 1 3 249.358 1.815 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@@H]1CCCOCC1)CC2 ZINC001170837027 971958568 /nfs/dbraw/zinc/95/85/68/971958568.db2.gz YXGIHLIYJQNKAX-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO N[C@@H](CC1CCC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219347165 972006495 /nfs/dbraw/zinc/00/64/95/972006495.db2.gz JOZAYQRYAWTLNG-ZDUSSCGKSA-N 1 3 247.342 1.601 20 0 BDADHO CC[C@H](C)OCC[C@H](C)NC1(C[NH3+])CC1 ZINC001172348589 974617140 /nfs/dbraw/zinc/61/71/40/974617140.db2.gz IUJQQFLZCOYJEM-QWRGUYRKSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@H]1c2ccc(N[C@H](N)CCC[NH3+])cc2NC1=O ZINC001170899418 972061351 /nfs/dbraw/zinc/06/13/51/972061351.db2.gz JWFAOFDCZGPFJF-UFBFGSQYSA-N 1 3 248.330 1.178 20 0 BDADHO Cc1cc(N[C@H](N)CCC[NH3+])cc2cccnc12 ZINC001170901056 972070843 /nfs/dbraw/zinc/07/08/43/972070843.db2.gz VDIFGRXLCJURDT-ZDUSSCGKSA-N 1 3 244.342 1.979 20 0 BDADHO Cc1cc2cc(N[C@H](N)CCC[NH3+])ccc2[nH]1 ZINC001170901114 972070952 /nfs/dbraw/zinc/07/09/52/972070952.db2.gz WQQVRXUTQXWWEY-ZDUSSCGKSA-N 1 3 232.331 1.912 20 0 BDADHO C[C@H](N)c1nccn1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246078833 972134612 /nfs/dbraw/zinc/13/46/12/972134612.db2.gz BIGKSZWEHZGTTB-UTLUCORTSA-N 1 3 208.309 1.216 20 0 BDADHO CC(C)OCC[C@H](C)[NH2+]C1CCNCC1 ZINC001246080428 972135508 /nfs/dbraw/zinc/13/55/08/972135508.db2.gz QZWIYVNCECLUNS-NSHDSACASA-N 1 3 214.353 1.532 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC001246081847 972137173 /nfs/dbraw/zinc/13/71/73/972137173.db2.gz UHGRROWWAMAVNE-ZYHUDNBSSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC001246081847 972137175 /nfs/dbraw/zinc/13/71/75/972137175.db2.gz UHGRROWWAMAVNE-ZYHUDNBSSA-N 1 3 240.347 1.060 20 0 BDADHO CC[C@@H]1C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246085240 972141477 /nfs/dbraw/zinc/14/14/77/972141477.db2.gz QCRWSHQDQCBANL-ZDEQEGDKSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC001246095670 972150096 /nfs/dbraw/zinc/15/00/96/972150096.db2.gz BXVTXZICJWQEOB-QJPTWQEYSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]1CC[C@@H](CNC2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107757 972173254 /nfs/dbraw/zinc/17/32/54/972173254.db2.gz UNTDHBSKJAVWDJ-WSOGJNRSSA-N 1 3 236.359 1.450 20 0 BDADHO COc1cccc(CCN[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246119226 972182526 /nfs/dbraw/zinc/18/25/26/972182526.db2.gz JADBSJGXWNDONT-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(O)c2)CCN1 ZINC001246156670 972198501 /nfs/dbraw/zinc/19/85/01/972198501.db2.gz BDYCQGXEHVQLPC-YPMHNXCESA-N 1 3 234.343 1.665 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2cccc(O)c2)CC[NH2+]1 ZINC001246156670 972198504 /nfs/dbraw/zinc/19/85/04/972198504.db2.gz BDYCQGXEHVQLPC-YPMHNXCESA-N 1 3 234.343 1.665 20 0 BDADHO COCC(C)(C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246177275 972207054 /nfs/dbraw/zinc/20/70/54/972207054.db2.gz IBJSMGONHBTQRY-ZJUUUORDSA-N 1 3 200.326 1.142 20 0 BDADHO COCC(C)(C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246177275 972207061 /nfs/dbraw/zinc/20/70/61/972207061.db2.gz IBJSMGONHBTQRY-ZJUUUORDSA-N 1 3 200.326 1.142 20 0 BDADHO CO[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246235235 972239381 /nfs/dbraw/zinc/23/93/81/972239381.db2.gz GHLXCWWKQWSZAE-CYDGBPFRSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCc2cccnc2)CCN1 ZINC001246241604 972245835 /nfs/dbraw/zinc/24/58/35/972245835.db2.gz YPECKYMHGRHDCV-JSGCOSHPSA-N 1 3 233.359 1.744 20 0 BDADHO CCC[NH+]1C[C@H]2CN(CCCOC)C[C@@H]2C1 ZINC001209055445 957307624 /nfs/dbraw/zinc/30/76/24/957307624.db2.gz YPLYDOFZEJVNCS-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@H](NCC[C@H](C)[NH3+])C1 ZINC001246305171 972268345 /nfs/dbraw/zinc/26/83/45/972268345.db2.gz NNOCJSHJGLGDGF-TUAOUCFPSA-N 1 3 242.363 1.435 20 0 BDADHO c1cc(C[NH2+][C@H]2CCCNC2)cc2c1NCC2 ZINC001246476358 972346623 /nfs/dbraw/zinc/34/66/23/972346623.db2.gz ZKTNRBFCGMHHPM-ZDUSSCGKSA-N 1 3 231.343 1.496 20 0 BDADHO C[C@@H]1CC[C@@H](N2CCN(C3CCC3)CC2)C[NH2+]1 ZINC000398973271 958469136 /nfs/dbraw/zinc/46/91/36/958469136.db2.gz AJCPPELWCKONNM-TZMCWYRMSA-N 1 3 237.391 1.297 20 0 BDADHO C[C@H]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CN1 ZINC000399224521 958565989 /nfs/dbraw/zinc/56/59/89/958565989.db2.gz MAMWIHPSLVJQNC-AEGPPILISA-N 1 3 248.370 1.320 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2COC(C)(C)O2)CC[N@@H+]1C ZINC000300301645 958887307 /nfs/dbraw/zinc/88/73/07/958887307.db2.gz QMJQOYGUELUGSA-WOPDTQHZSA-N 1 3 242.363 1.210 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2COC(C)(C)O2)CC[N@H+]1C ZINC000300301645 958887309 /nfs/dbraw/zinc/88/73/09/958887309.db2.gz QMJQOYGUELUGSA-WOPDTQHZSA-N 1 3 242.363 1.210 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222237450 972415612 /nfs/dbraw/zinc/41/56/12/972415612.db2.gz KGUGHEALFLOMLP-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@]12CCCNC2 ZINC001222237450 972415620 /nfs/dbraw/zinc/41/56/20/972415620.db2.gz KGUGHEALFLOMLP-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222237450 972415624 /nfs/dbraw/zinc/41/56/24/972415624.db2.gz KGUGHEALFLOMLP-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@]12CCCNC2 ZINC001222237453 972416775 /nfs/dbraw/zinc/41/67/75/972416775.db2.gz KGUGHEALFLOMLP-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@]12CCCNC2 ZINC001222237453 972416780 /nfs/dbraw/zinc/41/67/80/972416780.db2.gz KGUGHEALFLOMLP-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCC[C@]12CCC[NH2+]C2 ZINC001222237453 972416788 /nfs/dbraw/zinc/41/67/88/972416788.db2.gz KGUGHEALFLOMLP-UPJWGTAASA-N 1 3 208.349 1.860 20 0 BDADHO CCOCC[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC001172409867 974670213 /nfs/dbraw/zinc/67/02/13/974670213.db2.gz ALKCRLYXKFYOHK-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCOC(F)(F)F)C12CCC2 ZINC000405213138 959418352 /nfs/dbraw/zinc/41/83/52/959418352.db2.gz DQBUPWICOBKETH-SFYZADRCSA-N 1 3 238.253 1.382 20 0 BDADHO c1cc2c(c(O[C@H]3CCC4(C[NH2+]C4)C3)c1)CNC2 ZINC001218237829 959912988 /nfs/dbraw/zinc/91/29/88/959912988.db2.gz MHNGLECRPLCFQW-LBPRGKRZSA-N 1 3 244.338 1.811 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCCC[C@H](C[NH3+])C1 ZINC000709028637 960218817 /nfs/dbraw/zinc/21/88/17/960218817.db2.gz BRLKLPGFIVWLOL-GFCCVEGCSA-N 1 3 236.363 1.587 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140706062 960509197 /nfs/dbraw/zinc/50/91/97/960509197.db2.gz BIVYTSNVGIXZBI-OLZOCXBDSA-N 1 3 219.332 1.398 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(Cc3cc[nH]c3)C[C@@H]2C1 ZINC001140706062 960509208 /nfs/dbraw/zinc/50/92/08/960509208.db2.gz BIVYTSNVGIXZBI-OLZOCXBDSA-N 1 3 219.332 1.398 20 0 BDADHO Cc1nccn1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709465960 960612838 /nfs/dbraw/zinc/61/28/38/960612838.db2.gz XLZMIODBVQHNOD-FUNVUKJBSA-N 1 3 234.347 1.064 20 0 BDADHO C[C@H]1C[C@H](O)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488506 960620648 /nfs/dbraw/zinc/62/06/48/960620648.db2.gz BHCTVOQGKBFTNM-GVWAJWJKSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709480467 960620889 /nfs/dbraw/zinc/62/08/89/960620889.db2.gz SMWBDHZMTQHLPH-ZGVCCVRISA-N 1 3 224.348 1.116 20 0 BDADHO Cc1cc(CN2CCC3(C[NH+](C)C3)CC2)[nH]n1 ZINC001203082134 960773506 /nfs/dbraw/zinc/77/35/06/960773506.db2.gz LVAPDSAWXGQKTQ-UHFFFAOYSA-N 1 3 234.347 1.246 20 0 BDADHO COC(C)(C)C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000709373685 961269518 /nfs/dbraw/zinc/26/95/18/961269518.db2.gz IFSNJOBTVSUFKV-UWVGGRQHSA-N 1 3 200.326 1.142 20 0 BDADHO COC(C)(C)CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC000709373685 961269551 /nfs/dbraw/zinc/26/95/51/961269551.db2.gz IFSNJOBTVSUFKV-UWVGGRQHSA-N 1 3 200.326 1.142 20 0 BDADHO CCC[N@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001268240432 961473687 /nfs/dbraw/zinc/47/36/87/961473687.db2.gz KROLMQMJQXIYOE-GFCCVEGCSA-N 1 3 243.395 1.127 20 0 BDADHO CCC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)N(C)C ZINC001268240432 961473703 /nfs/dbraw/zinc/47/37/03/961473703.db2.gz KROLMQMJQXIYOE-GFCCVEGCSA-N 1 3 243.395 1.127 20 0 BDADHO Cc1c(N)ccnc1NC(=N)SCC[NH3+] ZINC001167910371 961814799 /nfs/dbraw/zinc/81/47/99/961814799.db2.gz RLYRLBRVWYZKGP-UHFFFAOYSA-N 1 3 225.321 1.011 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104878 962208279 /nfs/dbraw/zinc/20/82/79/962208279.db2.gz CVNLSBBFGXEMPL-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104878 962208310 /nfs/dbraw/zinc/20/83/10/962208310.db2.gz CVNLSBBFGXEMPL-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC1(CN2CCC(F)(F)[C@H](N)C2)CC[NH2+]CC1 ZINC001206649127 962619722 /nfs/dbraw/zinc/61/97/22/962619722.db2.gz QTOUANJWTCVXTN-SNVBAGLBSA-N 1 3 247.333 1.044 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CF)C2)CCN1 ZINC000711468337 962717708 /nfs/dbraw/zinc/71/77/08/962717708.db2.gz WQPWNOWGMPMLDQ-WOPDTQHZSA-N 1 3 214.328 1.808 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CF)C2)CCN1 ZINC000711468337 962717721 /nfs/dbraw/zinc/71/77/21/962717721.db2.gz WQPWNOWGMPMLDQ-WOPDTQHZSA-N 1 3 214.328 1.808 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNc2cccc(N)n2)C1 ZINC001156378499 963326068 /nfs/dbraw/zinc/32/60/68/963326068.db2.gz MMXAZTNASWQFHY-NSHDSACASA-N 1 3 234.347 1.808 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNc2cccc(N)n2)C1 ZINC001156378499 963326075 /nfs/dbraw/zinc/32/60/75/963326075.db2.gz MMXAZTNASWQFHY-NSHDSACASA-N 1 3 234.347 1.808 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111318 963750459 /nfs/dbraw/zinc/75/04/59/963750459.db2.gz APHGLGONNHDNIP-MQYQWHSLSA-N 1 3 238.375 1.437 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111318 963750466 /nfs/dbraw/zinc/75/04/66/963750466.db2.gz APHGLGONNHDNIP-MQYQWHSLSA-N 1 3 238.375 1.437 20 0 BDADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H]1C ZINC001157922114 963766501 /nfs/dbraw/zinc/76/65/01/963766501.db2.gz DZXLJBHHUKMRLN-RYUDHWBXSA-N 1 3 241.379 1.103 20 0 BDADHO Cc1cnc(-n2ccc([C@@H](C)N)n2)c(C[NH3+])c1 ZINC001158351030 963855467 /nfs/dbraw/zinc/85/54/67/963855467.db2.gz SBBNIJKBUXMTAC-SECBINFHSA-N 1 3 231.303 1.054 20 0 BDADHO CN1CCN(c2cc(N)cc[nH+]2)C2(CCCC2)C1 ZINC001158403757 963859694 /nfs/dbraw/zinc/85/96/94/963859694.db2.gz BUJIYGWXZHOWKI-UHFFFAOYSA-N 1 3 246.358 1.728 20 0 BDADHO C[C@H](CC[NH2+]C1CCSCC1)N(C)C ZINC000697873839 964599587 /nfs/dbraw/zinc/59/95/87/964599587.db2.gz WRHKCVVSSUSHNL-SNVBAGLBSA-N 1 3 216.394 1.812 20 0 BDADHO CC[C@H](COC)NCC[C@@H](C)[NH+](C)C ZINC000697871879 964599904 /nfs/dbraw/zinc/59/99/04/964599904.db2.gz PNEYPHORDIZWCQ-GHMZBOCLSA-N 1 3 202.342 1.341 20 0 BDADHO F[C@@H]1C[NH2+][C@H](CNc2nccc3c2CCN3)C1 ZINC001162473073 964990711 /nfs/dbraw/zinc/99/07/11/964990711.db2.gz ZXCSODJWJXWBBM-IUCAKERBSA-N 1 3 236.294 1.162 20 0 BDADHO Cc1cc(CN(C)CC2CC[NH2+]CC2)n(C)n1 ZINC000094024603 965388918 /nfs/dbraw/zinc/38/89/18/965388918.db2.gz QYLZNDBSTDTLIF-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO CN(CC[NH3+])c1ncccc1CN1CCCC1 ZINC001163690100 965509488 /nfs/dbraw/zinc/50/94/88/965509488.db2.gz LSNAZFCPPREETH-UHFFFAOYSA-N 1 3 234.347 1.072 20 0 BDADHO Cc1c2[nH]cnc2ccc1N1CC[C@H]([NH3+])C1 ZINC001164281741 965825685 /nfs/dbraw/zinc/82/56/85/965825685.db2.gz LWFGXGHTWMFSNB-VIFPVBQESA-N 1 3 216.288 1.409 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2c[nH]c3cccnc23)CC1 ZINC001205110097 965835237 /nfs/dbraw/zinc/83/52/37/965835237.db2.gz OOUZOJNSQBYQDN-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@@H]1CC[C@H](C[NH3+])CN1c1cccc(N)n1 ZINC001164460897 965893317 /nfs/dbraw/zinc/89/33/17/965893317.db2.gz FZVSWUDKRTYJHR-NXEZZACHSA-N 1 3 220.320 1.227 20 0 BDADHO Cc1c[nH+]c(N2CC(C)(N(C)C)C2)cc1N ZINC001165119650 965962178 /nfs/dbraw/zinc/96/21/78/965962178.db2.gz FFHWPUFMERJFQE-UHFFFAOYSA-N 1 3 220.320 1.113 20 0 BDADHO Cc1cc(C)nc(N2CCC(F)(C[NH3+])CC2)c1 ZINC001165260672 966013791 /nfs/dbraw/zinc/01/37/91/966013791.db2.gz YMZKRPKEEVJPTK-UHFFFAOYSA-N 1 3 237.322 1.966 20 0 BDADHO C[C@@H]1CCCCN1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001204599269 967099736 /nfs/dbraw/zinc/09/97/36/967099736.db2.gz VKXWOYRCCFYZTO-MNOVXSKESA-N 1 3 212.337 1.585 20 0 BDADHO C[C@H](Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CNCCO1 ZINC000169193577 967216923 /nfs/dbraw/zinc/21/69/23/967216923.db2.gz HBWSLHAERGLKOX-IINYFYTJSA-N 1 3 247.342 1.079 20 0 BDADHO Cc1ncoc1CN1CCC(C[NH3+])CC1 ZINC001205040358 967258300 /nfs/dbraw/zinc/25/83/00/967258300.db2.gz FQOHMWCJSZBACE-UHFFFAOYSA-N 1 3 209.293 1.154 20 0 BDADHO CCc1nc(C)c(CN2CCC(C[NH3+])CC2)[nH]1 ZINC001205025726 967299370 /nfs/dbraw/zinc/29/93/70/967299370.db2.gz FRWALBZZCCYDPZ-UHFFFAOYSA-N 1 3 236.363 1.451 20 0 BDADHO CC1(C[N@@H+]2CCC[C@@H](N)CC2)CCOCC1 ZINC001205094967 967337128 /nfs/dbraw/zinc/33/71/28/967337128.db2.gz RROFEUHXSHNKEQ-GFCCVEGCSA-N 1 3 226.364 1.616 20 0 BDADHO CC1(C[N@H+]2CCC[C@@H](N)CC2)CCOCC1 ZINC001205094967 967337135 /nfs/dbraw/zinc/33/71/35/967337135.db2.gz RROFEUHXSHNKEQ-GFCCVEGCSA-N 1 3 226.364 1.616 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC001205102596 967348333 /nfs/dbraw/zinc/34/83/33/967348333.db2.gz UADMURKERGXONH-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC001205102596 967348343 /nfs/dbraw/zinc/34/83/43/967348343.db2.gz UADMURKERGXONH-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccnc3[nH]ccc32)CC1 ZINC001205109710 967351467 /nfs/dbraw/zinc/35/14/67/967351467.db2.gz JSZRYRJFCHRQPG-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001205116704 967366328 /nfs/dbraw/zinc/36/63/28/967366328.db2.gz GUQATAOSBMHCPZ-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc3c(c2)NCC3)CC1 ZINC001205124115 967370521 /nfs/dbraw/zinc/37/05/21/967370521.db2.gz KIMNKRHSYXLDGG-CQSZACIVSA-N 1 3 245.370 1.968 20 0 BDADHO C[C@@H]1CC[N@H+](Cc2ccc([O-])cn2)CC[C@H]1C[NH3+] ZINC001205626837 967738039 /nfs/dbraw/zinc/73/80/39/967738039.db2.gz JQTVGXNZYPIKBA-NEPJUHHUSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CC[N@@H+](Cc2ccc([O-])cn2)CC[C@H]1C[NH3+] ZINC001205626837 967738052 /nfs/dbraw/zinc/73/80/52/967738052.db2.gz JQTVGXNZYPIKBA-NEPJUHHUSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CC[N@H+](Cc2ccc([O-])cn2)CC[C@@H]1C[NH3+] ZINC001205626840 967738099 /nfs/dbraw/zinc/73/80/99/967738099.db2.gz JQTVGXNZYPIKBA-VXGBXAGGSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CC[N@@H+](Cc2ccc([O-])cn2)CC[C@@H]1C[NH3+] ZINC001205626840 967738112 /nfs/dbraw/zinc/73/81/12/967738112.db2.gz JQTVGXNZYPIKBA-VXGBXAGGSA-N 1 3 249.358 1.594 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cnoc3)C2)CC1 ZINC001205703917 967791514 /nfs/dbraw/zinc/79/15/14/967791514.db2.gz NNIYZPPFBXZYIN-UHFFFAOYSA-N 1 3 235.331 1.592 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000701568302 967816342 /nfs/dbraw/zinc/81/63/42/967816342.db2.gz MQAHWKGYPPHVMI-LPWJVIDDSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@@H](N)C23CCC3)O1 ZINC000701568302 967816345 /nfs/dbraw/zinc/81/63/45/967816345.db2.gz MQAHWKGYPPHVMI-LPWJVIDDSA-N 1 3 238.375 1.804 20 0 BDADHO Cc1cnccc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001205868048 967866503 /nfs/dbraw/zinc/86/65/03/967866503.db2.gz RNCBOSHTGAAOHA-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1cnccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001205868048 967866504 /nfs/dbraw/zinc/86/65/04/967866504.db2.gz RNCBOSHTGAAOHA-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO C[C@H]1[C@H](CN)CCC[N@@H+]1CCCCCO ZINC001205902255 967879517 /nfs/dbraw/zinc/87/95/17/967879517.db2.gz JIMWHUVPZNFNAP-RYUDHWBXSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@H]1[C@H](CN)CCC[N@H+]1CCCCCO ZINC001205902255 967879521 /nfs/dbraw/zinc/87/95/21/967879521.db2.gz JIMWHUVPZNFNAP-RYUDHWBXSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@H]1CN(Cc2cn(C)cn2)CCC[C@H]1C[NH3+] ZINC001205995913 967952093 /nfs/dbraw/zinc/95/20/93/967952093.db2.gz RSGMDVACXMHTGB-RYUDHWBXSA-N 1 3 236.363 1.227 20 0 BDADHO Nc1ccncc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206615482 968418450 /nfs/dbraw/zinc/41/84/50/968418450.db2.gz FODGPISLKLNMGH-LLVKDONJSA-N 1 3 234.347 1.055 20 0 BDADHO C[C@H](Cc1ccno1)NCC[C@@H](C)[NH+](C)C ZINC001206838286 968492423 /nfs/dbraw/zinc/49/24/23/968492423.db2.gz NGYPOOKXDJJPOC-GHMZBOCLSA-N 1 3 225.336 1.535 20 0 BDADHO CCCC[C@@H](O)CNCCC[NH+](CC)CC ZINC001252076815 968493026 /nfs/dbraw/zinc/49/30/26/968493026.db2.gz CFGTVBKNBYRYGB-CYBMUJFWSA-N 1 3 230.396 1.859 20 0 BDADHO OCC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000829275599 968824164 /nfs/dbraw/zinc/82/41/64/968824164.db2.gz NHBZTZLSSHZEQN-ZDUSSCGKSA-N 1 3 226.364 1.080 20 0 BDADHO CO[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000829274885 968824493 /nfs/dbraw/zinc/82/44/93/968824493.db2.gz IFVZBKLZUZTLMK-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@@H]2C1 ZINC001207838134 968897110 /nfs/dbraw/zinc/89/71/10/968897110.db2.gz WGTUKRFCNHMBNZ-QCNOEVLYSA-N 1 3 226.389 1.422 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207896183 968909825 /nfs/dbraw/zinc/90/98/25/968909825.db2.gz KYSONYZUGVKSNK-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO CCN1C[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207896183 968909831 /nfs/dbraw/zinc/90/98/31/968909831.db2.gz KYSONYZUGVKSNK-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO CN(C)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC001208127348 969021051 /nfs/dbraw/zinc/02/10/51/969021051.db2.gz WUFHQRGAGYNIKR-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CC[C@@H]1COCCN1CC1CC[NH+](CC)CC1 ZINC001208598538 969151858 /nfs/dbraw/zinc/15/18/58/969151858.db2.gz RZVVPJPDDYPEFG-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404941 969161221 /nfs/dbraw/zinc/16/12/21/969161221.db2.gz KLAYMWOHZQPOQY-ZJUUUORDSA-N 1 3 202.342 1.124 20 0 BDADHO CC[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404941 969161224 /nfs/dbraw/zinc/16/12/24/969161224.db2.gz KLAYMWOHZQPOQY-ZJUUUORDSA-N 1 3 202.342 1.124 20 0 BDADHO CCC[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253406396 969163633 /nfs/dbraw/zinc/16/36/33/969163633.db2.gz JMNQDNMBTKWVLY-MNOVXSKESA-N 1 3 216.369 1.514 20 0 BDADHO CCC[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253406396 969163642 /nfs/dbraw/zinc/16/36/42/969163642.db2.gz JMNQDNMBTKWVLY-MNOVXSKESA-N 1 3 216.369 1.514 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001253406088 969163845 /nfs/dbraw/zinc/16/38/45/969163845.db2.gz YEFGGRXZGCPFKQ-TUAOUCFPSA-N 1 3 246.370 1.606 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN(C)C2)C[C@H](C)N1C ZINC001208612792 969170668 /nfs/dbraw/zinc/17/06/68/969170668.db2.gz NVTQSQKJLVMYEY-MJBXVCDLSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCCN(C)C2)C[C@H](C)N1C ZINC001208612792 969170674 /nfs/dbraw/zinc/17/06/74/969170674.db2.gz NVTQSQKJLVMYEY-MJBXVCDLSA-N 1 3 239.407 1.353 20 0 BDADHO Cc1cc(CN)nn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093590 969387250 /nfs/dbraw/zinc/38/72/50/969387250.db2.gz IUGGRRBKYJKYMO-ITGUQSILSA-N 1 3 234.347 1.448 20 0 BDADHO Cc1cc(CN)nn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093590 969387254 /nfs/dbraw/zinc/38/72/54/969387254.db2.gz IUGGRRBKYJKYMO-ITGUQSILSA-N 1 3 234.347 1.448 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)CCOC3)C2 ZINC001169126416 969431305 /nfs/dbraw/zinc/43/13/05/969431305.db2.gz SVFJJDXQYBLDIK-CLLJXQQHSA-N 1 3 236.359 1.334 20 0 BDADHO CN1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001169147066 969467575 /nfs/dbraw/zinc/46/75/75/969467575.db2.gz SMGFBRKHNKXTKQ-OYQDBORRSA-N 1 3 249.402 1.105 20 0 BDADHO CN1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001169147066 969467581 /nfs/dbraw/zinc/46/75/81/969467581.db2.gz SMGFBRKHNKXTKQ-OYQDBORRSA-N 1 3 249.402 1.105 20 0 BDADHO COC(C)(C)CCN1CCC([NH+]2CCC2)CC1 ZINC001209409338 969479811 /nfs/dbraw/zinc/47/98/11/969479811.db2.gz GYCCWDHTNBMDNX-UHFFFAOYSA-N 1 3 240.391 1.972 20 0 BDADHO CC[NH+]1CCC(Nc2ccc(CN)nc2)CC1 ZINC001169233807 969513423 /nfs/dbraw/zinc/51/34/23/969513423.db2.gz VBBDCRJFJFEAAS-UHFFFAOYSA-N 1 3 234.347 1.437 20 0 BDADHO C(CN1CCCCC1)C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001209449705 969518999 /nfs/dbraw/zinc/51/89/99/969518999.db2.gz KKGKNPFQEQWHBH-ZIAGYGMSSA-N 1 3 238.375 1.726 20 0 BDADHO C(CN1CCCCC1)C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001209449705 969519005 /nfs/dbraw/zinc/51/90/05/969519005.db2.gz KKGKNPFQEQWHBH-ZIAGYGMSSA-N 1 3 238.375 1.726 20 0 BDADHO CC[NH+]1CCC(NCCOc2ccncc2)CC1 ZINC001169244215 969530358 /nfs/dbraw/zinc/53/03/58/969530358.db2.gz IMEFTHTZDKHFMX-UHFFFAOYSA-N 1 3 249.358 1.534 20 0 BDADHO CCN1CCC([NH2+]C2CN(C(C)(C)C)C2)CC1 ZINC001169241474 969530831 /nfs/dbraw/zinc/53/08/31/969530831.db2.gz LAZCSTHGLLTOBU-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H]1C[N@H+](Cc2ccc([O-])cn2)CCC[C@@H]1C[NH3+] ZINC001206011655 969635758 /nfs/dbraw/zinc/63/57/58/969635758.db2.gz FTUCMOMZDAPYBD-NWDGAFQWSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1C[N@@H+](Cc2ccc([O-])cn2)CCC[C@@H]1C[NH3+] ZINC001206011655 969635763 /nfs/dbraw/zinc/63/57/63/969635763.db2.gz FTUCMOMZDAPYBD-NWDGAFQWSA-N 1 3 249.358 1.594 20 0 BDADHO CN1CCC[C@H]([NH2+]Cc2ccnc(F)c2)CC1 ZINC001254507170 969674940 /nfs/dbraw/zinc/67/49/40/969674940.db2.gz IIWKDABGFXOWSU-LBPRGKRZSA-N 1 3 237.322 1.795 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNc2cc(CN)ncn2)C1 ZINC001156377809 969850577 /nfs/dbraw/zinc/85/05/77/969850577.db2.gz GLDORJMRMMBXAI-NSHDSACASA-N 1 3 249.362 1.079 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNc2cc(CN)ncn2)C1 ZINC001156377809 969850578 /nfs/dbraw/zinc/85/05/78/969850578.db2.gz GLDORJMRMMBXAI-NSHDSACASA-N 1 3 249.362 1.079 20 0 BDADHO C[NH2+]Cc1cccc(Nc2nccn2C)c1 ZINC001211134276 970158797 /nfs/dbraw/zinc/15/87/97/970158797.db2.gz HJGRLTHAYGEBQY-UHFFFAOYSA-N 1 3 216.288 1.883 20 0 BDADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC1 ZINC001157450681 970317817 /nfs/dbraw/zinc/31/78/17/970317817.db2.gz GIAIXUZVTTYVDS-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cc2[nH]ccc2c(N2C[C@@H]3C[NH2+][C@@H]3C2)n1 ZINC001157624299 970493983 /nfs/dbraw/zinc/49/39/83/970493983.db2.gz WZXFIXVKZZNLGU-JOYOIKCWSA-N 1 3 228.299 1.279 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(c3cccc(N)n3)C[C@H]2C1 ZINC001157691008 970539343 /nfs/dbraw/zinc/53/93/43/970539343.db2.gz NJMUDCSBIUSERN-VXGBXAGGSA-N 1 3 246.358 1.442 20 0 BDADHO CC[C@@H]1C[C@@H]([N@H+](C)C[C@H](C)CN)CCO1 ZINC001170182607 970556697 /nfs/dbraw/zinc/55/66/97/970556697.db2.gz NJWQBDHFWWZNMU-GRYCIOLGSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C)CN)CCO1 ZINC001170182607 970556710 /nfs/dbraw/zinc/55/67/10/970556710.db2.gz NJWQBDHFWWZNMU-GRYCIOLGSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)CCO1 ZINC001170182172 970558575 /nfs/dbraw/zinc/55/85/75/970558575.db2.gz MNUILGSSIMFKAL-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001255939285 970569429 /nfs/dbraw/zinc/56/94/29/970569429.db2.gz BEARMQITGWZNDU-IHRRRGAJSA-N 1 3 242.407 2.000 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC001255941400 970571271 /nfs/dbraw/zinc/57/12/71/970571271.db2.gz PWVNQPVTCHGTTE-JHJVBQTASA-N 1 3 228.380 1.610 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[C@H]1O ZINC001255941400 970571280 /nfs/dbraw/zinc/57/12/80/970571280.db2.gz PWVNQPVTCHGTTE-JHJVBQTASA-N 1 3 228.380 1.610 20 0 BDADHO C[C@@H](NCc1cscn1)C1CC[NH2+]CC1 ZINC000400363095 970583398 /nfs/dbraw/zinc/58/33/98/970583398.db2.gz QQNBELHRVJCYTA-SECBINFHSA-N 1 3 225.361 1.621 20 0 BDADHO CCN(CCC(N)=O)[C@@H](C)CC[NH+](CC)CC ZINC001255961111 970603939 /nfs/dbraw/zinc/60/39/39/970603939.db2.gz KQBZINLEVMFDDS-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+](CC)CCC(N)=O ZINC001255961111 970603948 /nfs/dbraw/zinc/60/39/48/970603948.db2.gz KQBZINLEVMFDDS-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+](CC)CCC(N)=O ZINC001255961111 970603953 /nfs/dbraw/zinc/60/39/53/970603953.db2.gz KQBZINLEVMFDDS-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO CN1CC(CNc2ccc([C@H]3CCC[NH2+]3)cn2)C1 ZINC001170252479 970657931 /nfs/dbraw/zinc/65/79/31/970657931.db2.gz NSHDEPMTYCIOAP-CYBMUJFWSA-N 1 3 246.358 1.480 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]C[C@H](C)CN)c1 ZINC001256152961 970673268 /nfs/dbraw/zinc/67/32/68/970673268.db2.gz FUSVWAGCZLXDBL-VXGBXAGGSA-N 1 3 236.359 1.811 20 0 BDADHO C[NH+]1CCC(Nc2ccc(CN)nc2)CC1 ZINC001256200311 970693375 /nfs/dbraw/zinc/69/33/75/970693375.db2.gz PKHJHMNMENGHFX-UHFFFAOYSA-N 1 3 220.320 1.046 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001246546563 972646003 /nfs/dbraw/zinc/64/60/03/972646003.db2.gz NBVBBPXALHFJMR-HPCHECBXSA-N 1 3 237.391 1.423 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001246546563 972646020 /nfs/dbraw/zinc/64/60/20/972646020.db2.gz NBVBBPXALHFJMR-HPCHECBXSA-N 1 3 237.391 1.423 20 0 BDADHO C[C@H]1CC(N2CC(C)(C[NH3+])C2)C[C@H](C)O1 ZINC001246596807 973014341 /nfs/dbraw/zinc/01/43/41/973014341.db2.gz KMJVSRMMVAIZHV-UWVGGRQHSA-N 1 3 212.337 1.223 20 0 BDADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[NH3+] ZINC001328478556 973089457 /nfs/dbraw/zinc/08/94/57/973089457.db2.gz QNXZBDSDMMUQEW-ZDUSSCGKSA-N 1 3 249.358 1.135 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@@]3(CCO3)C2)CC[NH2+]1 ZINC001246828664 973123010 /nfs/dbraw/zinc/12/30/10/973123010.db2.gz FMZWIVPRJVBWCH-FRRDWIJNSA-N 1 3 224.348 1.382 20 0 BDADHO CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146603286 973181984 /nfs/dbraw/zinc/18/19/84/973181984.db2.gz WOQIEYJWGLFCRQ-RYUDHWBXSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875150 973272394 /nfs/dbraw/zinc/27/23/94/973272394.db2.gz XQPBCQDUYOSPGS-OOCWMUITSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875150 973272405 /nfs/dbraw/zinc/27/24/05/973272405.db2.gz XQPBCQDUYOSPGS-OOCWMUITSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@H](O)CC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171625162 974120471 /nfs/dbraw/zinc/12/04/71/974120471.db2.gz DGBUSEMNTUKXAG-NSHDSACASA-N 1 3 242.407 1.998 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CC[C@@H]3C1)C2 ZINC001172133619 974357862 /nfs/dbraw/zinc/35/78/62/974357862.db2.gz UAGREEMBGVHSPQ-BARDWOONSA-N 1 3 249.402 1.392 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CC[C@@H]3C1)C2 ZINC001172133619 974357877 /nfs/dbraw/zinc/35/78/77/974357877.db2.gz UAGREEMBGVHSPQ-BARDWOONSA-N 1 3 249.402 1.392 20 0 BDADHO C[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121034 974392121 /nfs/dbraw/zinc/39/21/21/974392121.db2.gz ODSDQOGAHLNEAA-YIYPIFLZSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121034 974392134 /nfs/dbraw/zinc/39/21/34/974392134.db2.gz ODSDQOGAHLNEAA-YIYPIFLZSA-N 1 3 238.375 1.722 20 0 BDADHO COCCCN1CCC([NH2+]C2(CF)CC2)CC1 ZINC001172244056 974510599 /nfs/dbraw/zinc/51/05/99/974510599.db2.gz XROCPIGVXGPUMQ-UHFFFAOYSA-N 1 3 244.354 1.579 20 0 BDADHO CC(C)(N)C(C)(C)[NH2+][C@@H]1COC(C)(C)C1 ZINC001172279815 974514357 /nfs/dbraw/zinc/51/43/57/974514357.db2.gz PLXOSLSWXXLILD-VIFPVBQESA-N 1 3 214.353 1.659 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N1CCC([NH3+])(CC)CC1 ZINC001330957528 974543721 /nfs/dbraw/zinc/54/37/21/974543721.db2.gz OHPGKRPFNWQZNI-QWRGUYRKSA-N 1 3 241.379 1.090 20 0 BDADHO CCOCC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172416988 974688622 /nfs/dbraw/zinc/68/86/22/974688622.db2.gz PWOIAANSGRBXCB-QWRGUYRKSA-N 1 3 202.342 1.328 20 0 BDADHO CCOCC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172416988 974688625 /nfs/dbraw/zinc/68/86/25/974688625.db2.gz PWOIAANSGRBXCB-QWRGUYRKSA-N 1 3 202.342 1.328 20 0 BDADHO C[NH2+]C[C@H](C)CNCCc1ccc(F)cc1F ZINC001331417601 974713887 /nfs/dbraw/zinc/71/38/87/974713887.db2.gz CRILCDMPYYVYOF-JTQLQIEISA-N 1 3 242.313 1.952 20 0 BDADHO CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001331476818 974737932 /nfs/dbraw/zinc/73/79/32/974737932.db2.gz YFCPGYQZCRXJNT-RYUDHWBXSA-N 1 3 243.395 1.029 20 0 BDADHO C[C@@H](CN)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172651497 974895017 /nfs/dbraw/zinc/89/50/17/974895017.db2.gz CSQWJNFVZMZHJY-JTQLQIEISA-N 1 3 228.380 1.907 20 0 BDADHO CC1(C)CC(NC2(C[NH3+])CC2)CC(C)(C)O1 ZINC001172655269 974897449 /nfs/dbraw/zinc/89/74/49/974897449.db2.gz UCMPCOQLBNUUNS-UHFFFAOYSA-N 1 3 226.364 1.804 20 0 BDADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2CC(N)C2)CC1 ZINC001172778094 974938231 /nfs/dbraw/zinc/93/82/31/974938231.db2.gz STWWPJPVHXQLQY-VOBJUBJWSA-N 1 3 240.347 1.188 20 0 BDADHO [NH3+]C1CC(N[C@@H]2CCc3ncsc3C2)C1 ZINC001173140242 975045204 /nfs/dbraw/zinc/04/52/04/975045204.db2.gz JKOGWGWBUSISHP-QJAFJHJLSA-N 1 3 223.345 1.080 20 0 BDADHO CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001173352889 975301883 /nfs/dbraw/zinc/30/18/83/975301883.db2.gz YNCAJBMOCHARLB-FQUUOJAGSA-N 1 3 237.391 1.295 20 0 BDADHO CCCCN1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001173365458 975344375 /nfs/dbraw/zinc/34/43/75/975344375.db2.gz IIXOAIOJORQWIL-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCCCN1CCN([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001173365458 975344382 /nfs/dbraw/zinc/34/43/82/975344382.db2.gz IIXOAIOJORQWIL-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CCN([C@H]2CC[N@H+](CC)C2)C(C)(C)C1 ZINC001173374844 975363707 /nfs/dbraw/zinc/36/37/07/975363707.db2.gz OWAJEZKVUMNRFY-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN([C@H]2CC[N@@H+](CC)C2)C(C)(C)C1 ZINC001173374844 975363715 /nfs/dbraw/zinc/36/37/15/975363715.db2.gz OWAJEZKVUMNRFY-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H](O)CNCCC[NH+]1CCCCCC1 ZINC001335344420 976980423 /nfs/dbraw/zinc/98/04/23/976980423.db2.gz CTYXUHNIPYYJAG-GFCCVEGCSA-N 1 3 214.353 1.223 20 0 BDADHO CC(C)OCC[C@H](O)CNCC[C@@H](C)[NH+](C)C ZINC001335381655 977017174 /nfs/dbraw/zinc/01/71/74/977017174.db2.gz OTTFVHJMTQBSFT-OLZOCXBDSA-N 1 3 246.395 1.092 20 0 BDADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC001335428041 977053376 /nfs/dbraw/zinc/05/33/76/977053376.db2.gz ATQFONHLUXGEKY-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO CC(=O)OC[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001335465598 977074275 /nfs/dbraw/zinc/07/42/75/977074275.db2.gz KJTXKLZABBCQBB-JBLDHEPKSA-N 1 3 228.336 1.010 20 0 BDADHO CC(=O)OC[C@H](C)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001335465598 977074286 /nfs/dbraw/zinc/07/42/86/977074286.db2.gz KJTXKLZABBCQBB-JBLDHEPKSA-N 1 3 228.336 1.010 20 0 BDADHO C[NH+](C)[C@@H]1C[C@@H](NC[C@H](O)C2CC2)C12CCC2 ZINC001336051180 977455652 /nfs/dbraw/zinc/45/56/52/977455652.db2.gz NHDZLLOVCRIHIN-YNEHKIRRSA-N 1 3 238.375 1.220 20 0 BDADHO C[C@H](O)[C@H](C)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001336050914 977457327 /nfs/dbraw/zinc/45/73/27/977457327.db2.gz JVFKTBTWERHXDG-YFKTTZPYSA-N 1 3 226.364 1.218 20 0 BDADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccncc1 ZINC001336410861 977667481 /nfs/dbraw/zinc/66/74/81/977667481.db2.gz QITUQDXDXZHTLK-QWHCGFSZSA-N 1 3 217.316 1.755 20 0 BDADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccncc1 ZINC001336410861 977667489 /nfs/dbraw/zinc/66/74/89/977667489.db2.gz QITUQDXDXZHTLK-QWHCGFSZSA-N 1 3 217.316 1.755 20 0 BDADHO C[N@@H+]1CCc2ncc(Nc3ncc[nH]3)cc2C1 ZINC001176079518 977874123 /nfs/dbraw/zinc/87/41/23/977874123.db2.gz IVOYULNGCMYMSM-UHFFFAOYSA-N 1 3 229.287 1.536 20 0 BDADHO C[N@H+]1CCc2ncc(Nc3ncc[nH]3)cc2C1 ZINC001176079518 977874126 /nfs/dbraw/zinc/87/41/26/977874126.db2.gz IVOYULNGCMYMSM-UHFFFAOYSA-N 1 3 229.287 1.536 20 0 BDADHO Cc1nc(CN2CCC3(C2)CC[NH+](C)CC3)c[nH]1 ZINC001232463753 978112183 /nfs/dbraw/zinc/11/21/83/978112183.db2.gz MLNYFHQZCIGHPP-UHFFFAOYSA-N 1 3 248.374 1.636 20 0 BDADHO c1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC001337655038 978443524 /nfs/dbraw/zinc/44/35/24/978443524.db2.gz NQZHJQXJDSUTHA-CYBMUJFWSA-N 1 3 217.316 1.756 20 0 BDADHO c1cc(N2CCC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC001337655038 978443531 /nfs/dbraw/zinc/44/35/31/978443531.db2.gz NQZHJQXJDSUTHA-CYBMUJFWSA-N 1 3 217.316 1.756 20 0 BDADHO CC(C)[C@H]1CN(c2cc[nH+]cc2)CCN1C ZINC001339472289 978857564 /nfs/dbraw/zinc/85/75/64/978857564.db2.gz MGLWFMYCHXGYDH-CYBMUJFWSA-N 1 3 219.332 1.858 20 0 BDADHO c1ncc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)[nH]1 ZINC001235229456 979000294 /nfs/dbraw/zinc/00/02/94/979000294.db2.gz MNRMFERZRLTLNB-AWEZNQCLSA-N 1 3 248.374 1.764 20 0 BDADHO c1ccc([C@@H]2CN(C[C@H]3CCC[NH2+]3)CCN2)cc1 ZINC001235858987 979174152 /nfs/dbraw/zinc/17/41/52/979174152.db2.gz KSMKFWWWOFINAG-CABCVRRESA-N 1 3 245.370 1.385 20 0 BDADHO c1ccc([C@H]2CN(C[C@H]3CCC[NH2+]3)CCN2)cc1 ZINC001235858990 979174536 /nfs/dbraw/zinc/17/45/36/979174536.db2.gz KSMKFWWWOFINAG-HUUCEWRRSA-N 1 3 245.370 1.385 20 0 BDADHO [NH3+][C@]12CC[C@@H]1CN(CC1Cc3ccccc3C1)C2 ZINC001235976993 979241777 /nfs/dbraw/zinc/24/17/77/979241777.db2.gz DTBYRWSXZQNMCH-CVEARBPZSA-N 1 3 242.366 1.825 20 0 BDADHO [NH3+][C@@]12CC[C@@H]1CN(CCC1CCCC1)C2 ZINC001235980937 979243605 /nfs/dbraw/zinc/24/36/05/979243605.db2.gz SKCRGWXIKKIMHC-CHWSQXEVSA-N 1 3 208.349 1.990 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996365 979289565 /nfs/dbraw/zinc/28/95/65/979289565.db2.gz XHSLSAGDRSZMDR-DOMZBBRYSA-N 1 3 243.354 1.578 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996365 979289576 /nfs/dbraw/zinc/28/95/76/979289576.db2.gz XHSLSAGDRSZMDR-DOMZBBRYSA-N 1 3 243.354 1.578 20 0 BDADHO Cc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)no1 ZINC001236314951 979525621 /nfs/dbraw/zinc/52/56/21/979525621.db2.gz IYGCFXNEYZKEBD-TXEJJXNPSA-N 1 3 235.331 1.414 20 0 BDADHO CC[N@H+](C1CCOCC1)[C@H]1CCN[C@H](C)C1 ZINC000716444051 979661050 /nfs/dbraw/zinc/66/10/50/979661050.db2.gz TULYSDCXXGUVLI-YPMHNXCESA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@@H+](C1CCOCC1)[C@H]1CCN[C@H](C)C1 ZINC000716444051 979661059 /nfs/dbraw/zinc/66/10/59/979661059.db2.gz TULYSDCXXGUVLI-YPMHNXCESA-N 1 3 226.364 1.628 20 0 BDADHO CCOC(C)(C)C[N@H+](C)C[C@@H](N)CC ZINC001236859047 979763189 /nfs/dbraw/zinc/76/31/89/979763189.db2.gz HGNLETHYXHOYLT-JTQLQIEISA-N 1 3 202.342 1.471 20 0 BDADHO CCOC(C)(C)C[N@@H+](C)C[C@@H](N)CC ZINC001236859047 979763200 /nfs/dbraw/zinc/76/32/00/979763200.db2.gz HGNLETHYXHOYLT-JTQLQIEISA-N 1 3 202.342 1.471 20 0 BDADHO N[C@@H](CC1CC1)C(=O)Nc1ccccc1C[NH3+] ZINC001342340941 979777034 /nfs/dbraw/zinc/77/70/34/979777034.db2.gz USOGGGMHJMOBEB-NSHDSACASA-N 1 3 233.315 1.211 20 0 BDADHO C[C@H](NC1CC1)C(=O)Nc1ccccc1C[NH3+] ZINC001343110792 980010586 /nfs/dbraw/zinc/01/05/86/980010586.db2.gz VWUVDOBPBFHVEF-VIFPVBQESA-N 1 3 233.315 1.224 20 0 BDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc2c1CNC2 ZINC001344590161 980441246 /nfs/dbraw/zinc/44/12/46/980441246.db2.gz JXXUZCRZTDENTJ-KOLCDFICSA-N 1 3 245.326 1.226 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000722684741 980880749 /nfs/dbraw/zinc/88/07/49/980880749.db2.gz WRYUSFHRCAEFFE-UTLUCORTSA-N 1 3 218.291 1.558 20 0 BDADHO NCc1ccc(-c2cncc(C[NH3+])c2)cn1 ZINC001239799605 980938725 /nfs/dbraw/zinc/93/87/25/980938725.db2.gz YMCAJOVEEHSMAJ-UHFFFAOYSA-N 1 3 214.272 1.061 20 0 BDADHO C[C@H](CNc1cc(N)ncc1Cl)C[NH+](C)C ZINC001355283664 983461395 /nfs/dbraw/zinc/46/13/95/983461395.db2.gz LBIWPMVJTPWAGV-MRVPVSSYSA-N 1 3 242.754 1.927 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357454056 983717849 /nfs/dbraw/zinc/71/78/49/983717849.db2.gz SFWUNHOXEQGUGY-SDDRHHMPSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC001357475438 983728090 /nfs/dbraw/zinc/72/80/90/983728090.db2.gz XASRGYKTGZFBEM-QWRGUYRKSA-N 1 3 243.395 1.384 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001357484403 983732651 /nfs/dbraw/zinc/73/26/51/983732651.db2.gz FCAUSNMLUHIUDJ-GARJFASQSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)(N)C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001357990456 983811661 /nfs/dbraw/zinc/81/16/61/983811661.db2.gz JVCOUNVRACLQQE-SNVBAGLBSA-N 1 3 247.342 1.203 20 0 BDADHO C[C@H](O)[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001576261778 984157671 /nfs/dbraw/zinc/15/76/71/984157671.db2.gz AXDLPMVBRMZZNJ-ZDEQEGDKSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@H](O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001576261778 984157674 /nfs/dbraw/zinc/15/76/74/984157674.db2.gz AXDLPMVBRMZZNJ-ZDEQEGDKSA-N 1 3 226.364 1.207 20 0 BDADHO CC[C@@](C)(CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)OC ZINC001576950058 984185221 /nfs/dbraw/zinc/18/52/21/984185221.db2.gz ZGALHCMGCMHPDF-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO C[NH2+]Cc1ccc(-c2cc(CN)ncn2)cc1 ZINC001242990986 984354212 /nfs/dbraw/zinc/35/42/12/984354212.db2.gz VRDLNCNDSFIHIZ-UHFFFAOYSA-N 1 3 228.299 1.322 20 0 BDADHO CCN(CC)Cc1cncc(C2=CC[NH2+]C2)c1 ZINC001243111951 984581978 /nfs/dbraw/zinc/58/19/78/984581978.db2.gz YHFTVWVUAMZQKI-UHFFFAOYSA-N 1 3 231.343 1.910 20 0 BDADHO CCOC(=O)C1(C[NH2+]C[C@@H](CN)C(C)C)CC1 ZINC001577927844 984816161 /nfs/dbraw/zinc/81/61/61/984816161.db2.gz GHHAONVPWBVZPV-LLVKDONJSA-N 1 3 242.363 1.150 20 0 BDADHO CCOC(=O)[C@@]1(C)CCC[C@@H]1NC1CC([NH3+])C1 ZINC001577925973 984820683 /nfs/dbraw/zinc/82/06/83/984820683.db2.gz PEQQCNKMYAECRC-GVAFYICXSA-N 1 3 240.347 1.188 20 0 BDADHO CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@H](C)N)C1 ZINC001577925394 984821562 /nfs/dbraw/zinc/82/15/62/984821562.db2.gz INBBRUQHPQJUSI-RKVXJDFWSA-N 1 3 228.336 1.044 20 0 BDADHO C[N@@H+]1CCCC2(CCN(Cc3cnc[nH]3)CC2)C1 ZINC001276202566 984827468 /nfs/dbraw/zinc/82/74/68/984827468.db2.gz BEAMFTSSFWYIQK-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO C[N@H+]1CCCC2(CCN(Cc3cnc[nH]3)CC2)C1 ZINC001276202566 984827471 /nfs/dbraw/zinc/82/74/71/984827471.db2.gz BEAMFTSSFWYIQK-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO Cn1cc(CN2CCC3(CC[N@H+](C)C3)CC2)cn1 ZINC001276222096 984831974 /nfs/dbraw/zinc/83/19/74/984831974.db2.gz MYQBNNGZDGEFFL-UHFFFAOYSA-N 1 3 248.374 1.338 20 0 BDADHO Cn1cc(CN2CCC3(CC[N@@H+](C)C3)CC2)cn1 ZINC001276222096 984831977 /nfs/dbraw/zinc/83/19/77/984831977.db2.gz MYQBNNGZDGEFFL-UHFFFAOYSA-N 1 3 248.374 1.338 20 0 BDADHO CCO[C@@]1(C)C[C@H]1NC[C@@H](C[NH3+])C(C)C ZINC001578160799 984863915 /nfs/dbraw/zinc/86/39/15/984863915.db2.gz DCROYXHAYYHZHY-UTUOFQBUSA-N 1 3 214.353 1.374 20 0 BDADHO CCn1cnc(Cl)c1CNC[C@H]1C[C@@H]([NH3+])C1 ZINC001578357163 985001894 /nfs/dbraw/zinc/00/18/94/985001894.db2.gz NZWVYFFQWNPLOR-DTORHVGOSA-N 1 3 242.754 1.383 20 0 BDADHO COC(CCN1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000686608243 985156099 /nfs/dbraw/zinc/15/60/99/985156099.db2.gz CJJMFAXVELREPS-ZDUSSCGKSA-N 1 3 242.363 1.023 20 0 BDADHO COC(CCN1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000686608243 985156108 /nfs/dbraw/zinc/15/61/08/985156108.db2.gz CJJMFAXVELREPS-ZDUSSCGKSA-N 1 3 242.363 1.023 20 0 BDADHO CN1CCCC[C@H]1C[NH2+]C[C@@H](N)CC(F)F ZINC001578528539 985156626 /nfs/dbraw/zinc/15/66/26/985156626.db2.gz IWDXJHKFAUDOIX-UWVGGRQHSA-N 1 3 235.322 1.043 20 0 BDADHO C[NH2+]CCCN[C@H](CC(=O)OC)C(C)(C)C ZINC001578691463 985293790 /nfs/dbraw/zinc/29/37/90/985293790.db2.gz PJCPONACMUQLAW-SNVBAGLBSA-N 1 3 230.352 1.163 20 0 BDADHO COC(=O)C1(C[NH2+]CC(C)(C)CN)CCCC1 ZINC001578780803 985349950 /nfs/dbraw/zinc/34/99/50/985349950.db2.gz JBSGEFQRBZRVQG-UHFFFAOYSA-N 1 3 242.363 1.294 20 0 BDADHO C[C@@H]1COC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000687974829 985435613 /nfs/dbraw/zinc/43/56/13/985435613.db2.gz RVJIPPXUJMUGNU-MNOVXSKESA-N 1 3 214.353 1.199 20 0 BDADHO CO[C@@H](CC(C)C)CN(C)CCC[NH3+] ZINC001578901242 985485520 /nfs/dbraw/zinc/48/55/20/985485520.db2.gz PZFLTHUCZYSIQA-NSHDSACASA-N 1 3 202.342 1.328 20 0 BDADHO C[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000688028878 985504131 /nfs/dbraw/zinc/50/41/31/985504131.db2.gz IMWBYNBRCGOEPN-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO COC1(C[C@H](C)[NH2+][C@H]2C[C@@H](N)C2)CCC1 ZINC001578926401 985521625 /nfs/dbraw/zinc/52/16/25/985521625.db2.gz GFRIHAAPJWMIPB-GARJFASQSA-N 1 3 212.337 1.413 20 0 BDADHO COCC[C@H]([NH3+])CN[C@H](COC)CC(C)(C)C ZINC001579000674 985623512 /nfs/dbraw/zinc/62/35/12/985623512.db2.gz AOAIFUQTBFXVSO-RYUDHWBXSA-N 1 3 246.395 1.391 20 0 BDADHO COCC[C@@H](N)C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000039 985641116 /nfs/dbraw/zinc/64/11/16/985641116.db2.gz NHYSUUPKXLUVIN-OLZOCXBDSA-N 1 3 240.391 1.861 20 0 BDADHO COCC[C@@H](N)C[N@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000039 985641127 /nfs/dbraw/zinc/64/11/27/985641127.db2.gz NHYSUUPKXLUVIN-OLZOCXBDSA-N 1 3 240.391 1.861 20 0 BDADHO COc1ccccc1/C=C/CNCCC[NH3+] ZINC001579307433 985832859 /nfs/dbraw/zinc/83/28/59/985832859.db2.gz QEMWNBNGJCYONN-QPJJXVBHSA-N 1 3 220.316 1.647 20 0 BDADHO COc1ccccc1/C=C\CNCCC[NH3+] ZINC001579307432 985834450 /nfs/dbraw/zinc/83/44/50/985834450.db2.gz QEMWNBNGJCYONN-DAXSKMNVSA-N 1 3 220.316 1.647 20 0 BDADHO Cc1c[nH]c(=O)c(CNC[C@@H](C[NH3+])C(C)C)c1 ZINC001579544380 986077597 /nfs/dbraw/zinc/07/75/97/986077597.db2.gz VTAIUSCFLWJXSB-GFCCVEGCSA-N 1 3 237.347 1.416 20 0 BDADHO C[C@]1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185264 986381959 /nfs/dbraw/zinc/38/19/59/986381959.db2.gz KACWESYZZGVOKJ-OPRDCNLKSA-N 1 3 230.302 1.891 20 0 BDADHO N[C@H](C[NH2+][C@@H]1CCCC[C@H]1F)CC(F)F ZINC001580131577 986598993 /nfs/dbraw/zinc/59/89/93/986598993.db2.gz FMIDGDLWBPFEPB-DJLDLDEBSA-N 1 3 224.270 1.839 20 0 BDADHO NC1CC([NH2+]CCc2cccc3c2OCCO3)C1 ZINC001580164147 986638967 /nfs/dbraw/zinc/63/89/67/986638967.db2.gz QDDFLOUGNUMJCX-UHFFFAOYSA-N 1 3 248.326 1.080 20 0 BDADHO [NH3+]C[C@H](NC[C@@H](O)CCc1ccccc1)C1CC1 ZINC001580229911 986680830 /nfs/dbraw/zinc/68/08/30/986680830.db2.gz WQMORIMBQBEPCT-GJZGRUSLSA-N 1 3 248.370 1.307 20 0 BDADHO [NH3+]C[C@H]1C[C@H](NCc2cn(C3CC3)cn2)C1 ZINC001580332930 986778250 /nfs/dbraw/zinc/77/82/50/986778250.db2.gz AJFJYICVVMJBRX-MGCOHNPYSA-N 1 3 220.320 1.045 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCSCc2ccccc2)C1 ZINC001580423233 986840987 /nfs/dbraw/zinc/84/09/87/986840987.db2.gz VVKHEHQUSZFXOM-BETUJISGSA-N 1 3 236.384 1.999 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580423052 986842004 /nfs/dbraw/zinc/84/20/04/986842004.db2.gz NMVLKAGFURMRCI-MJDLHHQISA-N 1 3 222.332 1.023 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001580423052 986842007 /nfs/dbraw/zinc/84/20/07/986842007.db2.gz NMVLKAGFURMRCI-MJDLHHQISA-N 1 3 222.332 1.023 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001580430454 986848633 /nfs/dbraw/zinc/84/86/33/986848633.db2.gz MOKDWOPEJYVHBV-SYLRKERUSA-N 1 3 224.348 1.271 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCC(=O)OC ZINC001255942747 987078914 /nfs/dbraw/zinc/07/89/14/987078914.db2.gz AUWFIRPOUMOQQD-NSHDSACASA-N 1 3 230.352 1.260 20 0 BDADHO CCCCOC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245972849 987241900 /nfs/dbraw/zinc/24/19/00/987241900.db2.gz FPYPBUWBLLBHGV-LBPRGKRZSA-N 1 3 244.379 1.025 20 0 BDADHO CCCCC[C@H](O)CNC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974339 987250844 /nfs/dbraw/zinc/25/08/44/987250844.db2.gz MFLLGOSXYJEBBV-RDBSUJKOSA-N 1 3 242.407 1.905 20 0 BDADHO CCCCC[C@H](O)CNC[C@H]1CCC[NH2+][C@@H]1C ZINC001245983194 987261650 /nfs/dbraw/zinc/26/16/50/987261650.db2.gz NLLVJWKBGUJTOE-MCIONIFRSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H]1C[C@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677132 987262363 /nfs/dbraw/zinc/26/23/63/987262363.db2.gz KZFOJNQJMCXAEM-GFJIZPEISA-N 1 3 238.375 1.628 20 0 BDADHO COc1cccc([C@H](O)CNCC[C@H](C)[NH3+])c1 ZINC001246000596 987285046 /nfs/dbraw/zinc/28/50/46/987285046.db2.gz LLVYMRKMEJZZCS-GXFFZTMASA-N 1 3 238.331 1.056 20 0 BDADHO CC(C)(C)[C@@H](O)CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025922 987316444 /nfs/dbraw/zinc/31/64/44/987316444.db2.gz YHIQSBVKTVPORE-WCQYABFASA-N 1 3 246.370 1.546 20 0 BDADHO CO[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697039170 987347670 /nfs/dbraw/zinc/34/76/70/987347670.db2.gz DAYCUXMOWSNTJB-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO COC(=O)CCCC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246073153 987361148 /nfs/dbraw/zinc/36/11/48/987361148.db2.gz PNTWNSPAOWRUHU-LLVKDONJSA-N 1 3 242.363 1.450 20 0 BDADHO Cc1cc(C)n(CCN[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246086222 987384226 /nfs/dbraw/zinc/38/42/26/987384226.db2.gz SNIBYIPIIDBIJY-GXFFZTMASA-N 1 3 236.363 1.230 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CCN1 ZINC001246094410 987404524 /nfs/dbraw/zinc/40/45/24/987404524.db2.gz XPKSUJGPKJSMNU-WUHRBBMRSA-N 1 3 226.364 1.410 20 0 BDADHO CCOCC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246098848 987412452 /nfs/dbraw/zinc/41/24/52/987412452.db2.gz PVEKIOMWNXCFIQ-DCAQKATOSA-N 1 3 218.316 1.091 20 0 BDADHO CO[C@@H]1CCC[C@H](NC[C@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246103225 987427778 /nfs/dbraw/zinc/42/77/78/987427778.db2.gz GSGOTMNTIBRBPA-IGQOVBAYSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105637 987432361 /nfs/dbraw/zinc/43/23/61/987432361.db2.gz NFZHABCQCFUHIY-BNDIWNMDSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105642 987433880 /nfs/dbraw/zinc/43/38/80/987433880.db2.gz NFZHABCQCFUHIY-LBELIVKGSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCCN(C)C2)[NH2+]C1 ZINC001246111285 987445914 /nfs/dbraw/zinc/44/59/14/987445914.db2.gz JATSZAKHKONSFN-FRRDWIJNSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H]1OCC[C@H]1C[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246112589 987446077 /nfs/dbraw/zinc/44/60/77/987446077.db2.gz QHSWPFVNNGTBHW-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1C[NH2+]CC[C@H]1C ZINC001246117287 987461349 /nfs/dbraw/zinc/46/13/49/987461349.db2.gz YWSWLKPFDGGABV-WOPDTQHZSA-N 1 3 242.363 1.163 20 0 BDADHO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246133420 987490211 /nfs/dbraw/zinc/49/02/11/987490211.db2.gz NXHWYFSATUPRNO-IJLUTSLNSA-N 1 3 208.349 1.907 20 0 BDADHO CCCCCC[C@H](C)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246149852 987507132 /nfs/dbraw/zinc/50/71/32/987507132.db2.gz VEPAZWVWQPZOER-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246151190 987512880 /nfs/dbraw/zinc/51/28/80/987512880.db2.gz ZFZFCYXPTUHIIO-GUDWOMEESA-N 1 3 238.375 1.388 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246151189 987513243 /nfs/dbraw/zinc/51/32/43/987513243.db2.gz ZFZFCYXPTUHIIO-CLHCLYRXSA-N 1 3 238.375 1.388 20 0 BDADHO Cc1ccc(CC[NH2+]C2CCNCC2)s1 ZINC001246170809 987530681 /nfs/dbraw/zinc/53/06/81/987530681.db2.gz UDPYRXVIOQDDFX-UHFFFAOYSA-N 1 3 224.373 1.941 20 0 BDADHO CCOC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246194027 987587441 /nfs/dbraw/zinc/58/74/41/987587441.db2.gz QBTJGLFBYJZIPI-GARJFASQSA-N 1 3 228.336 1.058 20 0 BDADHO COC(=O)CCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246198255 987591117 /nfs/dbraw/zinc/59/11/17/987591117.db2.gz DVJNQDMILUPCAJ-LLVKDONJSA-N 1 3 228.336 1.061 20 0 BDADHO C[C@@H]1C[C@H](NCC[C@@H](O)c2ccccc2)CC[NH2+]1 ZINC001246210581 987605839 /nfs/dbraw/zinc/60/58/39/987605839.db2.gz JCJAFZJINCZHFL-BPLDGKMQSA-N 1 3 248.370 1.840 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@H](O)c2ccccc2)CC[NH2+]1 ZINC001246210583 987607227 /nfs/dbraw/zinc/60/72/27/987607227.db2.gz JCJAFZJINCZHFL-SNPRPXQTSA-N 1 3 248.370 1.840 20 0 BDADHO C[C@@H](Cc1cnccn1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246237421 987635115 /nfs/dbraw/zinc/63/51/15/987635115.db2.gz OBGJRXFAVAZWLN-WOPDTQHZSA-N 1 3 234.347 1.138 20 0 BDADHO COc1cc(CCN[C@@H]2CC[NH2+][C@H](C)C2)ccn1 ZINC001246241144 987641873 /nfs/dbraw/zinc/64/18/73/987641873.db2.gz QLTKOOSXJDPIBM-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO COc1cc(CC[NH2+][C@@H]2CCN[C@H](C)C2)ccn1 ZINC001246241144 987641881 /nfs/dbraw/zinc/64/18/81/987641881.db2.gz QLTKOOSXJDPIBM-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249339 987649296 /nfs/dbraw/zinc/64/92/96/987649296.db2.gz OKWJOQQFGZOXOP-OPRDCNLKSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@@H]1C[C@@H](NCC2(c3ccccn3)CC2)CC[NH2+]1 ZINC001246276032 987670761 /nfs/dbraw/zinc/67/07/61/987670761.db2.gz ALTKBRPTKLCVFR-OLZOCXBDSA-N 1 3 245.370 1.843 20 0 BDADHO CCOC(=O)CC[C@@H](C)NCC[C@H](C)[NH3+] ZINC001246303903 987702294 /nfs/dbraw/zinc/70/22/94/987702294.db2.gz KFVDXOIYDRCBEX-VHSXEESVSA-N 1 3 216.325 1.045 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(=O)C2)CCN1 ZINC001246308354 987709784 /nfs/dbraw/zinc/70/97/84/987709784.db2.gz PYWYGCUXPFRMAO-VWYCJHECSA-N 1 3 210.321 1.228 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308354 987709790 /nfs/dbraw/zinc/70/97/90/987709790.db2.gz PYWYGCUXPFRMAO-VWYCJHECSA-N 1 3 210.321 1.228 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001246312089 987714525 /nfs/dbraw/zinc/71/45/25/987714525.db2.gz FPOGXOITVCTBDU-DCAQKATOSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC(=O)CC(C)(C)CNC1CC[NH2+]CC1 ZINC001246330989 987739860 /nfs/dbraw/zinc/73/98/60/987739860.db2.gz APPMRHYJDLUBGK-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO CCOC(=O)CC(C)(C)C[NH2+]C1CCNCC1 ZINC001246330989 987739867 /nfs/dbraw/zinc/73/98/67/987739867.db2.gz APPMRHYJDLUBGK-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)C1 ZINC001474499097 987742457 /nfs/dbraw/zinc/74/24/57/987742457.db2.gz KADGTLSJHGEVLN-CRWXNKLISA-N 1 3 238.375 1.341 20 0 BDADHO OC1CCC(CCN[C@H]2CCC[NH2+]C2)CC1 ZINC001246337896 987745802 /nfs/dbraw/zinc/74/58/02/987745802.db2.gz XHXMSJGIHBRDRV-CPCZMJQVSA-N 1 3 226.364 1.269 20 0 BDADHO Cc1ccc(C2(CNC3CC[NH2+]CC3)CC2)nc1 ZINC001246388058 987778080 /nfs/dbraw/zinc/77/80/80/987778080.db2.gz MUJHPYKRNGOYDE-UHFFFAOYSA-N 1 3 245.370 1.763 20 0 BDADHO CC(C)(C[NH2+]C1CCNCC1)Cc1ccncc1 ZINC001246400947 987782213 /nfs/dbraw/zinc/78/22/13/987782213.db2.gz PNPGIOHHHKERJC-UHFFFAOYSA-N 1 3 247.386 1.992 20 0 BDADHO CCCC[C@H](CC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418078 987792186 /nfs/dbraw/zinc/79/21/86/987792186.db2.gz QNCIOUBOGMVJRR-RYUDHWBXSA-N 1 3 243.395 1.528 20 0 BDADHO CC(C)CC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246420096 987796120 /nfs/dbraw/zinc/79/61/20/987796120.db2.gz WQZCXWWTNACEPX-RYUDHWBXSA-N 1 3 243.395 1.384 20 0 BDADHO C[C@H]1CC([NH2+][C@@H]2CC23CNC3)C[C@H](C)C1 ZINC001246445555 987804214 /nfs/dbraw/zinc/80/42/14/987804214.db2.gz PAJNUHBTPZNBEY-CKYFFXLPSA-N 1 3 208.349 1.763 20 0 BDADHO Cc1ccc(C[C@@H](C)[NH2+][C@H]2CC23CNC3)cc1 ZINC001246448392 987807227 /nfs/dbraw/zinc/80/72/27/987807227.db2.gz YHLVGCZMIFPSOK-OCCSQVGLSA-N 1 3 230.355 1.878 20 0 BDADHO Cn1ncc2c1cccc2C[NH2+][C@H]1CCCNC1 ZINC001246468989 987828767 /nfs/dbraw/zinc/82/87/67/987828767.db2.gz FLVBZWNOGDKJQO-LBPRGKRZSA-N 1 3 244.342 1.415 20 0 BDADHO CCOC(=O)CC[C@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478066 987834896 /nfs/dbraw/zinc/83/48/96/987834896.db2.gz NFFKXHKYAWBUTO-TUAOUCFPSA-N 1 3 242.363 1.578 20 0 BDADHO COC(=O)[C@H]1CC[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246499420 987853031 /nfs/dbraw/zinc/85/30/31/987853031.db2.gz YDLHFUPTYDIEFY-BJDJZHNGSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC001246499420 987853034 /nfs/dbraw/zinc/85/30/34/987853034.db2.gz YDLHFUPTYDIEFY-BJDJZHNGSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H](CO)c2ccccc2)CC[NH2+]1 ZINC001246506131 987859941 /nfs/dbraw/zinc/85/99/41/987859941.db2.gz VQDLVXDLCCDSOO-SNPRPXQTSA-N 1 3 248.370 1.493 20 0 BDADHO CO[C@H]1CC[C@@H]([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246513112 987863460 /nfs/dbraw/zinc/86/34/60/987863460.db2.gz GHLXCWWKQWSZAE-NDBYEHHHSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@]2(C)CCCOC2)CCN1 ZINC001246511777 987863731 /nfs/dbraw/zinc/86/37/31/987863731.db2.gz RRXYHFOAHIDQBU-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@H](N[C@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511777 987863727 /nfs/dbraw/zinc/86/37/27/987863727.db2.gz RRXYHFOAHIDQBU-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N3CC[C@@](C)([NH3+])C3)C[C@@H]21 ZINC001246532808 987890185 /nfs/dbraw/zinc/89/01/85/987890185.db2.gz YJBSGXRRLURASC-LSCVPOLPSA-N 1 3 208.349 1.844 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N3CC[C@@](C)([NH3+])C3)C[C@@H]21 ZINC001246532798 987892084 /nfs/dbraw/zinc/89/20/84/987892084.db2.gz YJBSGXRRLURASC-HNCHTBHHSA-N 1 3 208.349 1.844 20 0 BDADHO CC[C@@H]1CC(N2C[C@H](N)[C@@H](F)C2)C[C@@H](CC)[NH2+]1 ZINC001246534758 987894624 /nfs/dbraw/zinc/89/46/24/987894624.db2.gz SYSWMJVBUCOKQH-AAXDQBDMSA-N 1 3 243.370 1.277 20 0 BDADHO CCCC[C@H](CCC)N1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246537872 987897527 /nfs/dbraw/zinc/89/75/27/987897527.db2.gz DRALCXUBEFUXIS-RWMBFGLXSA-N 1 3 228.380 1.739 20 0 BDADHO CCOC(=O)CC[C@@H](C)N1CCC[C@@H]([NH3+])CC1 ZINC001246539205 987900926 /nfs/dbraw/zinc/90/09/26/987900926.db2.gz CNRODPLDRFNTPW-VXGBXAGGSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542047 987907718 /nfs/dbraw/zinc/90/77/18/987907718.db2.gz IODLXQGXMOSBJU-WRWGMCAJSA-N 1 3 240.347 1.140 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H]([N@H+]2CC[C@@H](N)[C@H]2C)C1 ZINC001246542047 987907724 /nfs/dbraw/zinc/90/77/24/987907724.db2.gz IODLXQGXMOSBJU-WRWGMCAJSA-N 1 3 240.347 1.140 20 0 BDADHO C[C@H]1C[N@@H+]([C@@H]2CCCOCC2)C[C@H]1CN ZINC001246543044 987909614 /nfs/dbraw/zinc/90/96/14/987909614.db2.gz RPRFFDZQBPLRMV-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1C[N@H+]([C@@H]2CCCOCC2)C[C@H]1CN ZINC001246543044 987909629 /nfs/dbraw/zinc/90/96/29/987909629.db2.gz RPRFFDZQBPLRMV-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@@H]1CCC[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541331 987913586 /nfs/dbraw/zinc/91/35/86/987913586.db2.gz GPSUYIVVVBSXFX-DDHJBXDOSA-N 1 3 212.337 1.366 20 0 BDADHO COC(=O)CC[C@@H](C)N1CCC[C@@H]([NH3+])CC1 ZINC001246544924 987922615 /nfs/dbraw/zinc/92/26/15/987922615.db2.gz IGSXLCNXVBQSCO-GHMZBOCLSA-N 1 3 228.336 1.141 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246550496 987947248 /nfs/dbraw/zinc/94/72/48/987947248.db2.gz PRKNNNJVVRPHBB-PZWNZHSQSA-N 1 3 208.349 1.843 20 0 BDADHO CCC[C@H](C)CC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561537 987992945 /nfs/dbraw/zinc/99/29/45/987992945.db2.gz VPRROJAWHZFXBC-REWJHTLYSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561537 987992958 /nfs/dbraw/zinc/99/29/58/987992958.db2.gz VPRROJAWHZFXBC-REWJHTLYSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561537 987992965 /nfs/dbraw/zinc/99/29/65/987992965.db2.gz VPRROJAWHZFXBC-REWJHTLYSA-N 1 3 242.407 1.985 20 0 BDADHO N[C@@H]1CC[N@@H+](C2CCC3(CC3)CC2)C[C@H]1O ZINC001246562228 988009299 /nfs/dbraw/zinc/00/92/99/988009299.db2.gz XBDQDNRPVYVPFZ-VXGBXAGGSA-N 1 3 224.348 1.103 20 0 BDADHO N[C@@H]1CC[N@H+](C2CCC3(CC3)CC2)C[C@H]1O ZINC001246562228 988009316 /nfs/dbraw/zinc/00/93/16/988009316.db2.gz XBDQDNRPVYVPFZ-VXGBXAGGSA-N 1 3 224.348 1.103 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H](CO)CC[C@H]2C)CCN1 ZINC001246563231 988009516 /nfs/dbraw/zinc/00/95/16/988009516.db2.gz CJCGOLYJTHVKLM-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H](CO)CC[C@H]2C)CCN1 ZINC001246563231 988009533 /nfs/dbraw/zinc/00/95/33/988009533.db2.gz CJCGOLYJTHVKLM-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@]1(CF)CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246572118 988057152 /nfs/dbraw/zinc/05/71/52/988057152.db2.gz DJPNYJFOMQDECP-ZGVCCVRISA-N 1 3 226.339 1.951 20 0 BDADHO CCCC[C@@H](CCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583827 988125117 /nfs/dbraw/zinc/12/51/17/988125117.db2.gz KYJKZKLLFAPHQF-XQQFMLRXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCC[C@@H](CCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583827 988125119 /nfs/dbraw/zinc/12/51/19/988125119.db2.gz KYJKZKLLFAPHQF-XQQFMLRXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCC1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC001118251030 988151375 /nfs/dbraw/zinc/15/13/75/988151375.db2.gz DTOBTMNWWPCAPP-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](Cc1ccco1)N1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589046 988160392 /nfs/dbraw/zinc/16/03/92/988160392.db2.gz QZEGGBTUZSQYGI-RAIGVLPGSA-N 1 3 240.322 1.972 20 0 BDADHO CC1(C)C[N@H+]([C@@H]2CCCNC2)[C@@](C)(CO)C1 ZINC001246591672 988177389 /nfs/dbraw/zinc/17/73/89/988177389.db2.gz WWDLVOAPPWQKKN-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@@H+]([C@@H]2CCCNC2)[C@@](C)(CO)C1 ZINC001246591672 988177405 /nfs/dbraw/zinc/17/74/05/988177405.db2.gz WWDLVOAPPWQKKN-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO C1C[N@H+]([C@@H]2CCCOCC2)[C@@]2(C1)CCCNC2 ZINC001246606324 988225074 /nfs/dbraw/zinc/22/50/74/988225074.db2.gz DSKHWVQDVGCRCY-ZIAGYGMSSA-N 1 3 238.375 1.774 20 0 BDADHO C1C[N@@H+]([C@@H]2CCCOCC2)[C@@]2(C1)CCCNC2 ZINC001246606324 988225087 /nfs/dbraw/zinc/22/50/87/988225087.db2.gz DSKHWVQDVGCRCY-ZIAGYGMSSA-N 1 3 238.375 1.774 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@@]3(CCCO3)C2)CC[NH2+]1 ZINC001246606568 988228599 /nfs/dbraw/zinc/22/85/99/988228599.db2.gz NBLXUWXPZWFEPT-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCCO3)C2)CCN1 ZINC001246606568 988228617 /nfs/dbraw/zinc/22/86/17/988228617.db2.gz NBLXUWXPZWFEPT-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCCO3)C2)CCN1 ZINC001246606568 988228632 /nfs/dbraw/zinc/22/86/32/988228632.db2.gz NBLXUWXPZWFEPT-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616248 988248094 /nfs/dbraw/zinc/24/80/94/988248094.db2.gz AKEKWACCMHHPTQ-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCCO3)CCN1 ZINC001246616248 988248118 /nfs/dbraw/zinc/24/81/18/988248118.db2.gz AKEKWACCMHHPTQ-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCCO3)CCN1 ZINC001246616248 988248135 /nfs/dbraw/zinc/24/81/35/988248135.db2.gz AKEKWACCMHHPTQ-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C1CCC([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246617498 988249789 /nfs/dbraw/zinc/24/97/89/988249789.db2.gz GOCDELROLSNSIE-KBPBESRZSA-N 1 3 237.391 1.345 20 0 BDADHO C1CCC([N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246617498 988249804 /nfs/dbraw/zinc/24/98/04/988249804.db2.gz GOCDELROLSNSIE-KBPBESRZSA-N 1 3 237.391 1.345 20 0 BDADHO CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001497269032 988369088 /nfs/dbraw/zinc/36/90/88/988369088.db2.gz SUECAZSZMROWEY-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO COC(C)(C)[C@H]1CCC[N@@H+]1[C@@H]1CCCNC1 ZINC001246812334 988499522 /nfs/dbraw/zinc/49/95/22/988499522.db2.gz YUIFUENSWDECDY-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)[C@H]1CCC[N@H+]1[C@@H]1CCCNC1 ZINC001246812334 988499535 /nfs/dbraw/zinc/49/95/35/988499535.db2.gz YUIFUENSWDECDY-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO CC(C)(C)[C@H]1C[C@@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246819861 988505225 /nfs/dbraw/zinc/50/52/25/988505225.db2.gz KQFJLYIMQIDVML-NNYUYHANSA-N 1 3 243.370 1.134 20 0 BDADHO c1cn(C2CCN(C3CC[NH2+]CC3)CC2)cn1 ZINC001246845709 988558529 /nfs/dbraw/zinc/55/85/29/988558529.db2.gz NDFMDHAYVBLUKM-UHFFFAOYSA-N 1 3 234.347 1.272 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C)NC3)C[C@H]12 ZINC001246855002 988577168 /nfs/dbraw/zinc/57/71/68/988577168.db2.gz RTVZPGGHZKPWJG-SYLRKERUSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C)NC3)C[C@H]12 ZINC001246855002 988577174 /nfs/dbraw/zinc/57/71/74/988577174.db2.gz RTVZPGGHZKPWJG-SYLRKERUSA-N 1 3 224.348 1.094 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859878 988589403 /nfs/dbraw/zinc/58/94/03/988589403.db2.gz KYMIUEYJZAAFIM-FZMZJTMJSA-N 1 3 235.375 1.036 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859878 988589424 /nfs/dbraw/zinc/58/94/24/988589424.db2.gz KYMIUEYJZAAFIM-FZMZJTMJSA-N 1 3 235.375 1.036 20 0 BDADHO C[C@H](Cc1ccncc1)[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246862094 988603034 /nfs/dbraw/zinc/60/30/34/988603034.db2.gz PWJAKPINCZCQMN-XBFCOCLRSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1ccncc1)[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246862094 988603049 /nfs/dbraw/zinc/60/30/49/988603049.db2.gz PWJAKPINCZCQMN-XBFCOCLRSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@@H](NCCC[NH+]1CCCC1)c1cc[nH]c(=O)c1 ZINC001324295759 988782548 /nfs/dbraw/zinc/78/25/48/988782548.db2.gz WLOKSRCTJTVNPS-GFCCVEGCSA-N 1 3 249.358 1.924 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)c1cc[nH]c(=O)c1 ZINC001324295759 988782561 /nfs/dbraw/zinc/78/25/61/988782561.db2.gz WLOKSRCTJTVNPS-GFCCVEGCSA-N 1 3 249.358 1.924 20 0 BDADHO CCN1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996249 988828939 /nfs/dbraw/zinc/82/89/39/988828939.db2.gz WSHLPLDFTKJRBW-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO C[NH2+][C@H](C)CCNC(=O)C[C@@H](N)c1ccccc1 ZINC001326243439 989443071 /nfs/dbraw/zinc/44/30/71/989443071.db2.gz BDPVVXOWDAOKLI-DGCLKSJQSA-N 1 3 249.358 1.191 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N(CC[NH2+]C)C(C)C ZINC001122174270 990277761 /nfs/dbraw/zinc/27/77/61/990277761.db2.gz TZBNKHXTFIGBNF-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO C[N@@H+]1CC[C@H](CNC[C@@H](O)c2ccccc2)C1 ZINC000225100732 990886972 /nfs/dbraw/zinc/88/69/72/990886972.db2.gz OTKSAYFTKWFPIR-TZMCWYRMSA-N 1 3 234.343 1.261 20 0 BDADHO C[N@H+]1CC[C@H](CNC[C@@H](O)c2ccccc2)C1 ZINC000225100732 990886975 /nfs/dbraw/zinc/88/69/75/990886975.db2.gz OTKSAYFTKWFPIR-TZMCWYRMSA-N 1 3 234.343 1.261 20 0 BDADHO C[C@H]1[C@@H](O)CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC001560135643 991389325 /nfs/dbraw/zinc/38/93/25/991389325.db2.gz XABXSVSPFBUMQA-AVGNSLFASA-N 1 3 226.364 1.316 20 0 BDADHO C[C@H]1[C@@H](O)CCCN1CC[C@@H]1CCC[N@H+]1C ZINC001560135643 991389331 /nfs/dbraw/zinc/38/93/31/991389331.db2.gz XABXSVSPFBUMQA-AVGNSLFASA-N 1 3 226.364 1.316 20 0 BDADHO CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317268243 991484902 /nfs/dbraw/zinc/48/49/02/991484902.db2.gz YKKKTHLMUFBQEL-NWDGAFQWSA-N 1 3 243.395 1.075 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001258772551 991739941 /nfs/dbraw/zinc/73/99/41/991739941.db2.gz SPQACOFPGACSSK-JSGCOSHPSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001567240886 991973120 /nfs/dbraw/zinc/97/31/20/991973120.db2.gz RFKLOWUOAHKHOA-GFCCVEGCSA-N 1 3 243.395 1.221 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@H](C)O[C@H]1C ZINC001261424596 992290621 /nfs/dbraw/zinc/29/06/21/992290621.db2.gz YOYPVKCFINRBME-VPOLOUISSA-N 1 3 200.326 1.140 20 0 BDADHO C1C[C@@H]2[C@H](O1)[C@H]1CC[C@@H]([NH2+]C3CCNCC3)[C@@H]21 ZINC001574795435 992911417 /nfs/dbraw/zinc/91/14/17/992911417.db2.gz MWXLHOFBVFWNNC-ODXJTPSBSA-N 1 3 236.359 1.142 20 0 BDADHO C1C[C@]2(C[NH2+]1)CCCCN([C@H]1CCOC1)C2 ZINC001574801092 992913395 /nfs/dbraw/zinc/91/33/95/992913395.db2.gz NCRIOGFGOSLOBZ-STQMWFEESA-N 1 3 224.348 1.241 20 0 BDADHO C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@@H]1CCCCCN1 ZINC001574801596 992914366 /nfs/dbraw/zinc/91/43/66/992914366.db2.gz SHWFCJCQAAKQQF-MROQNXINSA-N 1 3 224.348 1.143 20 0 BDADHO C([NH2+]C1CC2(C1)CCCC2)[C@@H]1CNCCCO1 ZINC001574799984 992915157 /nfs/dbraw/zinc/91/51/57/992915157.db2.gz GRURPCINEIOIRR-ZDUSSCGKSA-N 1 3 238.375 1.677 20 0 BDADHO C(NC1CC2(C1)CCCC2)[C@@H]1C[NH2+]CCCO1 ZINC001574799984 992915163 /nfs/dbraw/zinc/91/51/63/992915163.db2.gz GRURPCINEIOIRR-ZDUSSCGKSA-N 1 3 238.375 1.677 20 0 BDADHO CC(C)(C)OC1CC(N[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001575246490 993001324 /nfs/dbraw/zinc/00/13/24/993001324.db2.gz IWWKAWIQXUSJLL-IXBNRNDTSA-N 1 3 212.337 1.412 20 0 BDADHO CC(C)(CNC[C@@]1(O)CC[NH2+]C1)c1ccccc1 ZINC001575334501 993013086 /nfs/dbraw/zinc/01/30/86/993013086.db2.gz LIPJDHHMNJEBEA-OAHLLOKOSA-N 1 3 248.370 1.278 20 0 BDADHO CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC(N)C1)C(C)C ZINC001575431623 993040865 /nfs/dbraw/zinc/04/08/65/993040865.db2.gz DGIZWPOESDXKJE-TUUUFIMRSA-N 1 3 228.380 1.355 20 0 BDADHO CC(C)CC[C@@H](O)CN[C@@H](C[NH3+])C1CC1 ZINC001575566270 993073994 /nfs/dbraw/zinc/07/39/94/993073994.db2.gz SLUZDJJWCRCUFL-NEPJUHHUSA-N 1 3 214.353 1.110 20 0 BDADHO CC(C)N1CCCC[C@@H]1C[NH2+][C@H](CN)C1CC1 ZINC001575700277 993097946 /nfs/dbraw/zinc/09/79/46/993097946.db2.gz OVUAWZVIDCPJJN-ZIAGYGMSSA-N 1 3 239.407 1.576 20 0 BDADHO CC(C)N1CCCC[C@H]1C[NH2+][C@@H](CN)C1CC1 ZINC001575700274 993098476 /nfs/dbraw/zinc/09/84/76/993098476.db2.gz OVUAWZVIDCPJJN-KBPBESRZSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575941989 993133990 /nfs/dbraw/zinc/13/39/90/993133990.db2.gz ZJWYPNKFJRBIFU-NFIBXUFNSA-N 1 3 236.359 1.282 20 0 BDADHO C[C@@H](CCN)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962350 993141024 /nfs/dbraw/zinc/14/10/24/993141024.db2.gz PUVHYXULYNBYRX-DVWMECQTSA-N 1 3 224.348 1.127 20 0 BDADHO C[C@@H](CCN)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962895 993144219 /nfs/dbraw/zinc/14/42/19/993144219.db2.gz ZKOBNWLYPRTJIX-BJDJZHNGSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@H](CCn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC001575971469 993145892 /nfs/dbraw/zinc/14/58/92/993145892.db2.gz GAUDDOBPZOMGSY-FVCCEPFGSA-N 1 3 234.347 1.144 20 0 BDADHO C[C@@H](CCn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC001575971471 993146670 /nfs/dbraw/zinc/14/66/70/993146670.db2.gz GAUDDOBPZOMGSY-QNWHQSFQSA-N 1 3 234.347 1.144 20 0 BDADHO C[C@@H]([NH2+]C1CC(C(=O)OC(C)(C)C)C1)[C@H](C)N ZINC001576104776 993184048 /nfs/dbraw/zinc/18/40/48/993184048.db2.gz IXBGVQBRPBYOOH-IZUQBHJASA-N 1 3 242.363 1.432 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC001576116913 993185794 /nfs/dbraw/zinc/18/57/94/993185794.db2.gz BSJUKTMSXBVANK-CMPLNLGQSA-N 1 3 235.331 1.346 20 0 BDADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240474 993228703 /nfs/dbraw/zinc/22/87/03/993228703.db2.gz ZRFXFHMKXFTUNL-GRYCIOLGSA-N 1 3 242.363 1.258 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001576249785 993234754 /nfs/dbraw/zinc/23/47/54/993234754.db2.gz AKTPUYCMWUGFLY-ZJVZXRLSSA-N 1 3 206.333 1.228 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOCC1CCC1 ZINC001576380736 993285822 /nfs/dbraw/zinc/28/58/22/993285822.db2.gz XQSKDHXKFODOOA-VXGBXAGGSA-N 1 3 226.364 1.519 20 0 BDADHO CC1(C)[C@H](N[C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H]1[NH3+] ZINC001576380559 993287171 /nfs/dbraw/zinc/28/71/71/993287171.db2.gz UNHBTLRZPDXCMR-UNQZSWDGSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C[C@@H]1N ZINC001576380559 993287178 /nfs/dbraw/zinc/28/71/78/993287178.db2.gz UNHBTLRZPDXCMR-UNQZSWDGSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)[C@@H](C[NH2+][C@H]2C[C@@H](N)C2(C)C)C1(F)F ZINC001576384047 993291572 /nfs/dbraw/zinc/29/15/72/993291572.db2.gz SUMOEZPIDUCDTK-HLTSFMKQSA-N 1 3 232.318 1.993 20 0 BDADHO CC1(C)[C@@H](CN[C@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384047 993291582 /nfs/dbraw/zinc/29/15/82/993291582.db2.gz SUMOEZPIDUCDTK-HLTSFMKQSA-N 1 3 232.318 1.993 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN1CCCCC[C@@H]1C ZINC000380129413 993314555 /nfs/dbraw/zinc/31/45/55/993314555.db2.gz DFZGUWPIEOZVNL-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN1CCCCC[C@H]1C ZINC000380129414 993314967 /nfs/dbraw/zinc/31/49/67/993314967.db2.gz DFZGUWPIEOZVNL-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@]1(CNCC2([NH3+])CCOCC2)CCCCO1 ZINC001576518844 993330161 /nfs/dbraw/zinc/33/01/61/993330161.db2.gz HTBJOHCEQFIUBM-LBPRGKRZSA-N 1 3 242.363 1.043 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CCN1 ZINC001576623986 993373936 /nfs/dbraw/zinc/37/39/36/993373936.db2.gz NTTSYJCZQXZYJB-CDGCEXEKSA-N 1 3 248.374 1.254 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C[C@H]1O ZINC001576729711 993407471 /nfs/dbraw/zinc/40/74/71/993407471.db2.gz WOOFAFUXVZMJER-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO CCC[C@@H](CNCCC[NH+]1CCCC1)OC ZINC000382008797 993437659 /nfs/dbraw/zinc/43/76/59/993437659.db2.gz CDFDZKXKEQOYEL-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CCC[C@@H](C[NH2+]CCCN1CCCC1)OC ZINC000382008797 993437663 /nfs/dbraw/zinc/43/76/63/993437663.db2.gz CDFDZKXKEQOYEL-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CC[C@@H](C)C[C@@H](CO)[NH2+]CC(C)(C)CN ZINC001576971449 993475257 /nfs/dbraw/zinc/47/52/57/993475257.db2.gz PJFDDOABFSIGQF-MNOVXSKESA-N 1 3 216.369 1.358 20 0 BDADHO CC[C@H](C)C[C@@H](CO)NC[C@@H]([NH3+])CC(F)F ZINC001576971904 993478000 /nfs/dbraw/zinc/47/80/00/993478000.db2.gz RVULCRRMSLTDKS-GUBZILKMSA-N 1 3 238.322 1.356 20 0 BDADHO CCC(CC)(CN)C[NH2+]C[C@@]1(OC)CCOC1 ZINC001577051920 993491017 /nfs/dbraw/zinc/49/10/17/993491017.db2.gz GGMTUMNRKBSDOT-ZDUSSCGKSA-N 1 3 244.379 1.147 20 0 BDADHO CCC[C@H](CN[C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577357676 993615625 /nfs/dbraw/zinc/61/56/25/993615625.db2.gz FDJHDHVBRBJQOG-IJLUTSLNSA-N 1 3 214.353 1.661 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](C)O ZINC000386751856 993695052 /nfs/dbraw/zinc/69/50/52/993695052.db2.gz GSNFNXGFECUSOZ-LOWDOPEQSA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](C)O ZINC000386751856 993695056 /nfs/dbraw/zinc/69/50/56/993695056.db2.gz GSNFNXGFECUSOZ-LOWDOPEQSA-N 1 3 226.364 1.362 20 0 BDADHO CCN(CCC(=O)OC)C[C@H]1CCCC[NH2+]C1 ZINC001577710931 993718151 /nfs/dbraw/zinc/71/81/51/993718151.db2.gz JFBNPJQLHAGNDK-LBPRGKRZSA-N 1 3 242.363 1.261 20 0 BDADHO CSCC[C@@H](C)N1CCC[C@H]1C[NH3+] ZINC000388452899 993733295 /nfs/dbraw/zinc/73/32/95/993733295.db2.gz RCOQGGBONMFGDU-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO CN1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392765773 993882107 /nfs/dbraw/zinc/88/21/07/993882107.db2.gz SPWYAKUIPSXKPP-LBPRGKRZSA-N 1 3 235.331 1.361 20 0 BDADHO C[N@@H+]1CCC[C@H](NCc2ccc(=O)[nH]c2)CC1 ZINC000392765773 993882110 /nfs/dbraw/zinc/88/21/10/993882110.db2.gz SPWYAKUIPSXKPP-LBPRGKRZSA-N 1 3 235.331 1.361 20 0 BDADHO C[N@H+]1CCC[C@H](NCc2ccc(=O)[nH]c2)CC1 ZINC000392765773 993882113 /nfs/dbraw/zinc/88/21/13/993882113.db2.gz SPWYAKUIPSXKPP-LBPRGKRZSA-N 1 3 235.331 1.361 20 0 BDADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]C(C)C)N(C)C ZINC001266156249 994050800 /nfs/dbraw/zinc/05/08/00/994050800.db2.gz XSAASABKMQFYBN-VXGBXAGGSA-N 1 3 243.395 1.219 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)[C@@H]1CCOC1 ZINC000161711630 349489653 /nfs/dbraw/zinc/48/96/53/349489653.db2.gz GPYLKKFCILDCJS-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)[C@@H]1CCOC1 ZINC000161711630 349489657 /nfs/dbraw/zinc/48/96/57/349489657.db2.gz GPYLKKFCILDCJS-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO COC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000422939741 398158376 /nfs/dbraw/zinc/15/83/76/398158376.db2.gz RNRJZSUDMKAEQG-UHTWSYAYSA-N 1 3 226.364 1.389 20 0 BDADHO COC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000422939741 398158380 /nfs/dbraw/zinc/15/83/80/398158380.db2.gz RNRJZSUDMKAEQG-UHTWSYAYSA-N 1 3 226.364 1.389 20 0 BDADHO CC(C)(N)C[NH2+]CCOc1ncccc1Cl ZINC000415094681 398160692 /nfs/dbraw/zinc/16/06/92/398160692.db2.gz XQNKRIZTSNUOMO-UHFFFAOYSA-N 1 3 243.738 1.441 20 0 BDADHO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000422976748 398160967 /nfs/dbraw/zinc/16/09/67/398160967.db2.gz IXLINWAGASNMSG-IRCOFANPSA-N 1 3 246.420 1.219 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3cn[nH]c3)C[C@H]21 ZINC000379746316 398164133 /nfs/dbraw/zinc/16/41/33/398164133.db2.gz BWXGSPNMMFCIMZ-JHJVBQTASA-N 1 3 234.347 1.011 20 0 BDADHO Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccn1 ZINC000278875997 178120692 /nfs/dbraw/zinc/12/06/92/178120692.db2.gz ZUZZKHDYXANLGS-TXEJJXNPSA-N 1 3 217.316 1.388 20 0 BDADHO Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccn1 ZINC000278875997 178120695 /nfs/dbraw/zinc/12/06/95/178120695.db2.gz ZUZZKHDYXANLGS-TXEJJXNPSA-N 1 3 217.316 1.388 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000380980433 398216471 /nfs/dbraw/zinc/21/64/71/398216471.db2.gz CHGXLPNFZFJTGS-OLZOCXBDSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000380980433 398216474 /nfs/dbraw/zinc/21/64/74/398216474.db2.gz CHGXLPNFZFJTGS-OLZOCXBDSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)c1ccc(CN(C)C)cc1 ZINC000576397744 365585084 /nfs/dbraw/zinc/58/50/84/365585084.db2.gz JSZMCHRIOZFATR-NSHDSACASA-N 1 3 249.358 1.215 20 0 BDADHO COCCCCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430557202 398228368 /nfs/dbraw/zinc/22/83/68/398228368.db2.gz SBOGVXAWMLFLSY-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000191896545 361817861 /nfs/dbraw/zinc/81/78/61/361817861.db2.gz SHRYXKAOLIKRGR-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000191896545 361817865 /nfs/dbraw/zinc/81/78/65/361817865.db2.gz SHRYXKAOLIKRGR-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO CCN1CCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252786298 136226811 /nfs/dbraw/zinc/22/68/11/136226811.db2.gz POGIJXCSSGIMQV-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H]1CCCC[C@H]1C[NH2+]CCOCCN(C)C ZINC000349190568 398245290 /nfs/dbraw/zinc/24/52/90/398245290.db2.gz KPSBWUCOOOKEQF-KBPBESRZSA-N 1 3 242.407 1.981 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000576634738 365643303 /nfs/dbraw/zinc/64/33/03/365643303.db2.gz FKIRRCOYGFFNNO-MFKMUULPSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)[C@H](C)[NH3+] ZINC000576701958 365663529 /nfs/dbraw/zinc/66/35/29/365663529.db2.gz QBMVRXWMDZHMNN-WDEREUQCSA-N 1 3 249.358 1.214 20 0 BDADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCOC1 ZINC000344330988 365683816 /nfs/dbraw/zinc/68/38/16/365683816.db2.gz OIQVDRRYAOOOLT-UONOGXRCSA-N 1 3 238.375 1.653 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000180094988 538957422 /nfs/dbraw/zinc/95/74/22/538957422.db2.gz VJEMVTGJPKFKFR-JQWIXIFHSA-N 1 3 248.374 1.853 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2cncs2)CC1 ZINC000166659550 361854895 /nfs/dbraw/zinc/85/48/95/361854895.db2.gz AAMRTYJAIAWMGZ-VIFPVBQESA-N 1 3 225.361 1.702 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC1 ZINC000165715760 361844604 /nfs/dbraw/zinc/84/46/04/361844604.db2.gz NDQKJRJJEWNJAQ-NSHDSACASA-N 1 3 200.326 1.095 20 0 BDADHO C[C@H]1CCN(Cc2cccc(N)c2)C[C@@H]1C[NH3+] ZINC000335610919 136237100 /nfs/dbraw/zinc/23/71/00/136237100.db2.gz HCAXYXNUHMOGFA-AAEUAGOBSA-N 1 3 233.359 1.686 20 0 BDADHO C[C@H](NCc1nccs1)C1CC[NH+](C)CC1 ZINC000041012494 538973901 /nfs/dbraw/zinc/97/39/01/538973901.db2.gz PWUZBGRYPXYUJX-JTQLQIEISA-N 1 3 239.388 1.963 20 0 BDADHO C[C@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000251657089 398299630 /nfs/dbraw/zinc/29/96/30/398299630.db2.gz TZMGSMIXXJDWHF-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCNC1)[C@H]1CCCO1 ZINC000251657089 398299633 /nfs/dbraw/zinc/29/96/33/398299633.db2.gz TZMGSMIXXJDWHF-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO CN1CC=C(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631108460 342857226 /nfs/dbraw/zinc/85/72/26/342857226.db2.gz PLGHDHCILLLBOZ-UHFFFAOYSA-N 1 3 233.315 1.139 20 0 BDADHO C[C@H](F)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000351751866 136251228 /nfs/dbraw/zinc/25/12/28/136251228.db2.gz DJDNMABOWUZKRZ-QWRGUYRKSA-N 1 3 202.317 1.618 20 0 BDADHO CC(C)C[C@@H](C)CN1CCCO[C@H](C[NH3+])C1 ZINC000313354098 259334020 /nfs/dbraw/zinc/33/40/20/259334020.db2.gz QARRZMCEJUKDFR-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOCC(F)F)C1 ZINC000236328909 343091503 /nfs/dbraw/zinc/09/15/03/343091503.db2.gz XTJXZXAHMCGNOP-IUCAKERBSA-N 1 3 222.279 1.128 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOCC(F)F)C1 ZINC000236318967 343091516 /nfs/dbraw/zinc/09/15/16/343091516.db2.gz XTJXZXAHMCGNOP-DTWKUNHWSA-N 1 3 222.279 1.128 20 0 BDADHO CC[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000237048328 343121750 /nfs/dbraw/zinc/12/17/50/343121750.db2.gz YHRRNHBNFJRSIZ-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215684 343151361 /nfs/dbraw/zinc/15/13/61/343151361.db2.gz QPHJBRLOVFUCGT-OLZOCXBDSA-N 1 3 236.363 1.523 20 0 BDADHO Cc1cccnc1CN1CCC(CC[NH3+])CC1 ZINC000128238366 343174391 /nfs/dbraw/zinc/17/43/91/343174391.db2.gz JLIQCZPZNNKUSC-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688023 343245446 /nfs/dbraw/zinc/24/54/46/343245446.db2.gz FUZKZHXYPDVOSE-WRWGMCAJSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCCCC[C@@H](N)C2)O1 ZINC000634687918 343245654 /nfs/dbraw/zinc/24/56/54/343245654.db2.gz CXMLMCSGLYLOTI-UPJWGTAASA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCCCC[C@@H](N)C2)O1 ZINC000634687918 343245655 /nfs/dbraw/zinc/24/56/55/343245655.db2.gz CXMLMCSGLYLOTI-UPJWGTAASA-N 1 3 226.364 1.757 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000348757021 136297201 /nfs/dbraw/zinc/29/72/01/136297201.db2.gz SLPZSTJSJRYDPJ-AAEUAGOBSA-N 1 3 236.363 1.251 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000035254901 343291111 /nfs/dbraw/zinc/29/11/11/343291111.db2.gz YCXOXIHQOURDBM-CYBMUJFWSA-N 1 3 247.342 1.439 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCSCC1 ZINC000335639520 136303232 /nfs/dbraw/zinc/30/32/32/136303232.db2.gz VIGJXCBXGJZTJB-ONGXEEELSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCSCC1 ZINC000335639509 136303261 /nfs/dbraw/zinc/30/32/61/136303261.db2.gz VIGJXCBXGJZTJB-KOLCDFICSA-N 1 3 214.378 1.470 20 0 BDADHO CC(C)C[NH+](CCCN(C)C)CCCN(C)C ZINC000348937861 136309354 /nfs/dbraw/zinc/30/93/54/136309354.db2.gz WLZBJQPGYHOZRY-UHFFFAOYSA-N 1 3 243.439 1.848 20 0 BDADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH+](C)C)N(C)C ZINC000349147381 136325876 /nfs/dbraw/zinc/32/58/76/136325876.db2.gz XMTPYTLGZOJBCW-VXGBXAGGSA-N 1 3 243.395 1.029 20 0 BDADHO C[NH+](C)C1CCN(C[C@H]2CCOC2)CC1 ZINC000335703592 136334949 /nfs/dbraw/zinc/33/49/49/136334949.db2.gz UIDIDKDRGCEIFP-LLVKDONJSA-N 1 3 212.337 1.049 20 0 BDADHO CSCCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602894652 349811787 /nfs/dbraw/zinc/81/17/87/349811787.db2.gz YQGHIYNAGCNBNQ-GFCCVEGCSA-N 1 3 246.420 1.128 20 0 BDADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000398610765 488220446 /nfs/dbraw/zinc/22/04/46/488220446.db2.gz AVLOGCHNSZCMSH-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000082922848 343471189 /nfs/dbraw/zinc/47/11/89/343471189.db2.gz SSAFJJMYJKYNKU-ZJUUUORDSA-N 1 3 200.326 1.128 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000082922848 343471191 /nfs/dbraw/zinc/47/11/91/343471191.db2.gz SSAFJJMYJKYNKU-ZJUUUORDSA-N 1 3 200.326 1.128 20 0 BDADHO [NH3+]CCN1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC000616654808 343531409 /nfs/dbraw/zinc/53/14/09/343531409.db2.gz QQGOXZOSUKBGBA-GFCCVEGCSA-N 1 3 239.750 1.245 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOCC1CCC1 ZINC000570389081 323058130 /nfs/dbraw/zinc/05/81/30/323058130.db2.gz OWHCBUHZWOMDQV-STQMWFEESA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000570389081 323058131 /nfs/dbraw/zinc/05/81/31/323058131.db2.gz OWHCBUHZWOMDQV-STQMWFEESA-N 1 3 226.364 1.520 20 0 BDADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CCOCCN(C)C ZINC000336662372 537818485 /nfs/dbraw/zinc/81/84/85/537818485.db2.gz KFYYPKHPFZBGOF-OLZOCXBDSA-N 1 3 228.380 1.589 20 0 BDADHO CN(C[C@@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000051251040 347005843 /nfs/dbraw/zinc/00/58/43/347005843.db2.gz AZBNJMXNZYUBMW-NSHDSACASA-N 1 3 214.353 1.472 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000086404229 344216720 /nfs/dbraw/zinc/21/67/20/344216720.db2.gz JYLUWAJBZNVSSS-VXGBXAGGSA-N 1 3 212.337 1.273 20 0 BDADHO CCC[C@H](N)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001331 344485210 /nfs/dbraw/zinc/48/52/10/344485210.db2.gz JTMOWPVPXGWPLH-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CCC[C@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041718 344487631 /nfs/dbraw/zinc/48/76/31/344487631.db2.gz UIVCKVFQNJZRSM-LBPRGKRZSA-N 1 3 241.379 1.103 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)CCOC ZINC000045017824 344554506 /nfs/dbraw/zinc/55/45/06/344554506.db2.gz HHEGTLFBCBFWBF-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccc(OC)nc2)CC1 ZINC000158317680 344595111 /nfs/dbraw/zinc/59/51/11/344595111.db2.gz GVZGWQOWTRBKSR-UHFFFAOYSA-N 1 3 249.358 1.522 20 0 BDADHO CCC[C@@H](O)C[NH+]1CCC(N(C)C)CC1 ZINC000050193323 344731194 /nfs/dbraw/zinc/73/11/94/344731194.db2.gz DNHONCCQKXUWDI-GFCCVEGCSA-N 1 3 214.353 1.173 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000234796893 537875539 /nfs/dbraw/zinc/87/55/39/537875539.db2.gz ZKHYSUYSCUDEHC-STQMWFEESA-N 1 3 244.379 1.112 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOCc1ccccc1 ZINC000390231659 259383283 /nfs/dbraw/zinc/38/32/83/259383283.db2.gz HPEZCYLLVQGAEB-GJZGRUSLSA-N 1 3 248.370 1.920 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOCc1ccccc1 ZINC000390231659 259383284 /nfs/dbraw/zinc/38/32/84/259383284.db2.gz HPEZCYLLVQGAEB-GJZGRUSLSA-N 1 3 248.370 1.920 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000156555184 345175611 /nfs/dbraw/zinc/17/56/11/345175611.db2.gz JDNMREHDHUXTKN-KPWCQOOUSA-N 1 3 239.407 1.541 20 0 BDADHO N[C@H](CNCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634994361 345181852 /nfs/dbraw/zinc/18/18/52/345181852.db2.gz AERUCYWFILNBAK-HRDQMINSSA-N 1 3 231.343 1.028 20 0 BDADHO C[C@H](CCCO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156154437 345133294 /nfs/dbraw/zinc/13/32/94/345133294.db2.gz INLSAKPEGBTRDC-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156154437 345133296 /nfs/dbraw/zinc/13/32/96/345133296.db2.gz INLSAKPEGBTRDC-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156154437 345133300 /nfs/dbraw/zinc/13/33/00/345133300.db2.gz INLSAKPEGBTRDC-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@]1(CN[C@@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997173 345194903 /nfs/dbraw/zinc/19/49/03/345194903.db2.gz FGCAIXLPXLDGTI-NEPJUHHUSA-N 1 3 208.349 1.908 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000634998602 345198163 /nfs/dbraw/zinc/19/81/63/345198163.db2.gz IFVKXWFXJCPTSG-OUAUKWLOSA-N 1 3 214.378 1.266 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000634998602 345198165 /nfs/dbraw/zinc/19/81/65/345198165.db2.gz IFVKXWFXJCPTSG-OUAUKWLOSA-N 1 3 214.378 1.266 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000635003196 345205305 /nfs/dbraw/zinc/20/53/05/345205305.db2.gz GXPXBIWETGRZRY-UPJWGTAASA-N 1 3 228.380 1.645 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004337 345207800 /nfs/dbraw/zinc/20/78/00/345207800.db2.gz HZZJJZWDVMGKDU-LPWJVIDDSA-N 1 3 248.374 1.996 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)[C@@H](C)O1 ZINC000635007862 345209174 /nfs/dbraw/zinc/20/91/74/345209174.db2.gz BNQUTHJPYFEJOW-NDBYEHHHSA-N 1 3 240.391 1.920 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012513 345214523 /nfs/dbraw/zinc/21/45/23/345214523.db2.gz MUUZYTPJYHFCSS-GJZGRUSLSA-N 1 3 246.354 1.729 20 0 BDADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CC1 ZINC000635007697 345215344 /nfs/dbraw/zinc/21/53/44/345215344.db2.gz GJBSRRSCZOKPKT-LLVKDONJSA-N 1 3 246.358 1.702 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158468885 345336606 /nfs/dbraw/zinc/33/66/06/345336606.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158468885 345336610 /nfs/dbraw/zinc/33/66/10/345336610.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158468885 345336613 /nfs/dbraw/zinc/33/66/13/345336613.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158468885 345336615 /nfs/dbraw/zinc/33/66/15/345336615.db2.gz NETAXUXTSYKSQU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO COCCCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000158522743 345341672 /nfs/dbraw/zinc/34/16/72/345341672.db2.gz FYFNDIISHNPASG-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000158523142 345344465 /nfs/dbraw/zinc/34/44/65/345344465.db2.gz FYFNDIISHNPASG-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO CCOC(=O)[C@H]1CCCN1CC1CC[NH2+]CC1 ZINC000111824745 345690956 /nfs/dbraw/zinc/69/09/56/345690956.db2.gz LLYZJXKIGCUSRY-GFCCVEGCSA-N 1 3 240.347 1.014 20 0 BDADHO CN1CCC[C@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641720680 362637024 /nfs/dbraw/zinc/63/70/24/362637024.db2.gz NZJMDXFZXNQRFW-LLVKDONJSA-N 1 3 234.347 1.095 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000250346120 537920943 /nfs/dbraw/zinc/92/09/43/537920943.db2.gz QLNCLPXQOMMNJI-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000146982752 345993664 /nfs/dbraw/zinc/99/36/64/345993664.db2.gz UOAYALWARYOYQK-UHFFFAOYSA-N 1 3 218.344 1.879 20 0 BDADHO Cc1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000146982752 345993665 /nfs/dbraw/zinc/99/36/65/345993665.db2.gz UOAYALWARYOYQK-UHFFFAOYSA-N 1 3 218.344 1.879 20 0 BDADHO Cn1cncc1CCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000641800708 362752333 /nfs/dbraw/zinc/75/23/33/362752333.db2.gz DFFBAXNFRPRBET-OCCSQVGLSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000641800708 362752339 /nfs/dbraw/zinc/75/23/39/362752339.db2.gz DFFBAXNFRPRBET-OCCSQVGLSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@@H]2CNCC[C@@H]21 ZINC000641800708 362752342 /nfs/dbraw/zinc/75/23/42/362752342.db2.gz DFFBAXNFRPRBET-OCCSQVGLSA-N 1 3 248.374 1.037 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)C1(C)C)C1CCC1 ZINC000641801550 362756060 /nfs/dbraw/zinc/75/60/60/362756060.db2.gz SEWCYTHWHNMICC-UTUOFQBUSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@H]1C[C@@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801550 362756064 /nfs/dbraw/zinc/75/60/64/362756064.db2.gz SEWCYTHWHNMICC-UTUOFQBUSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)C1(C)C)C1CCC1 ZINC000641801549 362756660 /nfs/dbraw/zinc/75/66/60/362756660.db2.gz SEWCYTHWHNMICC-IJLUTSLNSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CCC1 ZINC000641801549 362756662 /nfs/dbraw/zinc/75/66/62/362756662.db2.gz SEWCYTHWHNMICC-IJLUTSLNSA-N 1 3 226.364 1.517 20 0 BDADHO CCNCCC[NH2+]C1CCC(COC)CC1 ZINC000580062517 346502178 /nfs/dbraw/zinc/50/21/78/346502178.db2.gz QXAYKRMSZONTNF-UHFFFAOYSA-N 1 3 228.380 1.781 20 0 BDADHO CSCC[C@H](C)N(C)C[C@@H]1CC[NH2+]C1 ZINC000158593869 346608248 /nfs/dbraw/zinc/60/82/48/346608248.db2.gz MHYJDWZOSZXQEO-WDEREUQCSA-N 1 3 216.394 1.669 20 0 BDADHO COC[C@H](C)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622004610 370656065 /nfs/dbraw/zinc/65/60/65/370656065.db2.gz RERXJAPZHUGGHO-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCc2ccccc2CC1 ZINC000582067858 347161738 /nfs/dbraw/zinc/16/17/38/347161738.db2.gz MUHOCHLCITVGPG-OAHLLOKOSA-N 1 3 248.370 1.058 20 0 BDADHO CNC[C@@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC000582067858 347161741 /nfs/dbraw/zinc/16/17/41/347161741.db2.gz MUHOCHLCITVGPG-OAHLLOKOSA-N 1 3 248.370 1.058 20 0 BDADHO Cc1nccn1CCCN1CCC[C@@H](C[NH3+])C1 ZINC000580328737 347164202 /nfs/dbraw/zinc/16/42/02/347164202.db2.gz CQWBZFMRAUWLSH-ZDUSSCGKSA-N 1 3 236.363 1.252 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000580329010 347168425 /nfs/dbraw/zinc/16/84/25/347168425.db2.gz SZGQEAQKYMYNAI-VXGBXAGGSA-N 1 3 226.364 1.520 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000382384085 347301999 /nfs/dbraw/zinc/30/19/99/347301999.db2.gz KWUKGRHOVGOBNB-MELADBBJSA-N 1 3 240.391 1.741 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000382384085 347302001 /nfs/dbraw/zinc/30/20/01/347302001.db2.gz KWUKGRHOVGOBNB-MELADBBJSA-N 1 3 240.391 1.741 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H]1CCC[NH2+]CC1 ZINC000591278599 347637188 /nfs/dbraw/zinc/63/71/88/347637188.db2.gz WQLADVMZINHJBE-NSHDSACASA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH3+])N(CC)CC ZINC000359431084 187380299 /nfs/dbraw/zinc/38/02/99/187380299.db2.gz TYKLYHCNUSWQNN-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO COC(=O)C1CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000592438859 347779103 /nfs/dbraw/zinc/77/91/03/347779103.db2.gz QTDMUQFLIOOAAG-DMOGRIERSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000593729073 347937975 /nfs/dbraw/zinc/93/79/75/347937975.db2.gz FFQDETIWYQRYGR-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000593729073 347937978 /nfs/dbraw/zinc/93/79/78/347937978.db2.gz FFQDETIWYQRYGR-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO Cc1ccccc1[C@@H](C)N(C)CCOCC[NH3+] ZINC000357027189 179318761 /nfs/dbraw/zinc/31/87/61/179318761.db2.gz KKDDLPBBDZANPK-CYBMUJFWSA-N 1 3 236.359 1.963 20 0 BDADHO C1C[C@@H](N2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@@H]3C2)CO1 ZINC000371464049 187385283 /nfs/dbraw/zinc/38/52/83/187385283.db2.gz NXWCKYBZTHVKSX-YIYPIFLZSA-N 1 3 236.359 1.191 20 0 BDADHO C1C[C@@H](N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@@H]3C2)CO1 ZINC000371464049 187385285 /nfs/dbraw/zinc/38/52/85/187385285.db2.gz NXWCKYBZTHVKSX-YIYPIFLZSA-N 1 3 236.359 1.191 20 0 BDADHO CN(C)[C@@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040617 348032720 /nfs/dbraw/zinc/03/27/20/348032720.db2.gz TUWHQBHPMQZSNW-HNNXBMFYSA-N 1 3 247.386 1.631 20 0 BDADHO CC(C)(O)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000304326913 187387494 /nfs/dbraw/zinc/38/74/94/187387494.db2.gz UKZVGZUHFZTIGP-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)CN(C)C ZINC000336737789 187393625 /nfs/dbraw/zinc/39/36/25/187393625.db2.gz JRNWDGQNTHPWOD-AGIUHOORSA-N 1 3 227.396 1.114 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000128626519 187395900 /nfs/dbraw/zinc/39/59/00/187395900.db2.gz LDRCCSUBWPXCCT-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503783 362927167 /nfs/dbraw/zinc/92/71/67/362927167.db2.gz NRVFHLGCOVXZSB-WDEREUQCSA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503783 362927170 /nfs/dbraw/zinc/92/71/70/362927170.db2.gz NRVFHLGCOVXZSB-WDEREUQCSA-N 1 3 214.353 1.484 20 0 BDADHO CSCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000596653047 348606816 /nfs/dbraw/zinc/60/68/16/348606816.db2.gz YZXRTFQVUOTSBZ-GRYCIOLGSA-N 1 3 244.404 1.096 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000253027231 349226250 /nfs/dbraw/zinc/22/62/50/349226250.db2.gz ODYBMLJLZUEXEM-HBNTYKKESA-N 1 3 200.326 1.007 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000070656685 350040248 /nfs/dbraw/zinc/04/02/48/350040248.db2.gz WQNKMXCKBMGFDT-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@H](COC)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000070656685 350040250 /nfs/dbraw/zinc/04/02/50/350040250.db2.gz WQNKMXCKBMGFDT-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@H](COC)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000070656685 350040252 /nfs/dbraw/zinc/04/02/52/350040252.db2.gz WQNKMXCKBMGFDT-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000132427946 191033477 /nfs/dbraw/zinc/03/34/77/191033477.db2.gz MTHINVHAJPAYTJ-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CC[N@H+](CC)C1 ZINC000132427946 191033481 /nfs/dbraw/zinc/03/34/81/191033481.db2.gz MTHINVHAJPAYTJ-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000132427946 191033483 /nfs/dbraw/zinc/03/34/83/191033483.db2.gz MTHINVHAJPAYTJ-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO Cc1ncc(CN2CCC(C[NH3+])CC2)s1 ZINC000062337150 180141414 /nfs/dbraw/zinc/14/14/14/180141414.db2.gz RUGLZTCVSWIWJZ-UHFFFAOYSA-N 1 3 225.361 1.622 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)CCSC ZINC000309292293 350255652 /nfs/dbraw/zinc/25/56/52/350255652.db2.gz WBXYJNZGBOGEJE-NWDGAFQWSA-N 1 3 248.436 1.372 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)CCSC ZINC000309292293 350255656 /nfs/dbraw/zinc/25/56/56/350255656.db2.gz WBXYJNZGBOGEJE-NWDGAFQWSA-N 1 3 248.436 1.372 20 0 BDADHO Cc1nccnc1[C@@H](C)NCCCC[NH+](C)C ZINC000219119779 180280779 /nfs/dbraw/zinc/28/07/79/180280779.db2.gz UMMRWNPWIQWQLZ-LLVKDONJSA-N 1 3 236.363 1.777 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCCC[C@H]1O ZINC000328533469 350402202 /nfs/dbraw/zinc/40/22/02/350402202.db2.gz YZVWXVLQSKAWSK-BFHYXJOUSA-N 1 3 242.407 1.843 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCCC[C@H]1O ZINC000328533471 350402365 /nfs/dbraw/zinc/40/23/65/350402365.db2.gz YZVWXVLQSKAWSK-MGPQQGTHSA-N 1 3 242.407 1.843 20 0 BDADHO Cc1nn(C)cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000128253003 180371363 /nfs/dbraw/zinc/37/13/63/180371363.db2.gz YAQBAPFFTLXIGO-JTQLQIEISA-N 1 3 236.363 1.288 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC(C)(C)O)CC[C@H]21 ZINC000227342847 350493234 /nfs/dbraw/zinc/49/32/34/350493234.db2.gz GGQHODPQEGBCAE-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)O)CC[C@H]21 ZINC000227342847 350493238 /nfs/dbraw/zinc/49/32/38/350493238.db2.gz GGQHODPQEGBCAE-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CC(C)(C)O)CC[C@H]21 ZINC000227342847 350493241 /nfs/dbraw/zinc/49/32/41/350493241.db2.gz GGQHODPQEGBCAE-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CC(C)(C)O)CC[C@H]21 ZINC000227342847 350493243 /nfs/dbraw/zinc/49/32/43/350493243.db2.gz GGQHODPQEGBCAE-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@H](O)C2CCC2)CC1(C)C ZINC000623542952 362961372 /nfs/dbraw/zinc/96/13/72/362961372.db2.gz YGFFEUNKXOFSQC-STQMWFEESA-N 1 3 240.391 1.610 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@H](O)C2CCC2)CC1(C)C ZINC000623542952 362961368 /nfs/dbraw/zinc/96/13/68/362961368.db2.gz YGFFEUNKXOFSQC-STQMWFEESA-N 1 3 240.391 1.610 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@@H](CO)CCF)CC1(C)C ZINC000623560500 362985765 /nfs/dbraw/zinc/98/57/65/362985765.db2.gz IFWFECYIKLEJBE-GHMZBOCLSA-N 1 3 232.343 1.169 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@@H](CO)CCF)CC1(C)C ZINC000623560500 362985773 /nfs/dbraw/zinc/98/57/73/362985773.db2.gz IFWFECYIKLEJBE-GHMZBOCLSA-N 1 3 232.343 1.169 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000251925668 362987931 /nfs/dbraw/zinc/98/79/31/362987931.db2.gz UXPSDSKJQIYQHK-FDYHWXHSSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)CC[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000637800267 351635764 /nfs/dbraw/zinc/63/57/64/351635764.db2.gz COSAQOMZXPJBAL-ZDUSSCGKSA-N 1 3 249.358 1.847 20 0 BDADHO CC[NH+](CC)CCNC(=O)[C@H](N)CCC(C)C ZINC000638048080 351924542 /nfs/dbraw/zinc/92/45/42/351924542.db2.gz XQHBCNMJNKVMHO-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CCC(C)C ZINC000638048081 351924708 /nfs/dbraw/zinc/92/47/08/351924708.db2.gz XQHBCNMJNKVMHO-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000638208379 352070855 /nfs/dbraw/zinc/07/08/55/352070855.db2.gz FAQAEQIBPVETCB-UTUOFQBUSA-N 1 3 241.379 1.007 20 0 BDADHO [NH3+][C@H]1CC=C(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000638259078 352102948 /nfs/dbraw/zinc/10/29/48/352102948.db2.gz BKSZUVSOIULHKO-LBPRGKRZSA-N 1 3 243.310 1.276 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638382128 352193810 /nfs/dbraw/zinc/19/38/10/352193810.db2.gz SIFCAXFFHIWBIM-FQUUOJAGSA-N 1 3 222.376 1.964 20 0 BDADHO CCN(CC[NH3+])C(=O)c1cccc(CN(C)C)c1 ZINC000638518158 352349780 /nfs/dbraw/zinc/34/97/80/352349780.db2.gz HEZTYXPSVSRDOX-UHFFFAOYSA-N 1 3 249.358 1.169 20 0 BDADHO C[C@@H](C[NH3+])C(=O)N1CCCc2cccc(CN)c21 ZINC000638543698 352374252 /nfs/dbraw/zinc/37/42/52/352374252.db2.gz OBQYFWUUIDLNPQ-JTQLQIEISA-N 1 3 247.342 1.019 20 0 BDADHO CC[C@H](N)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638550136 352379546 /nfs/dbraw/zinc/37/95/46/352379546.db2.gz RSNPJXQMAJDLER-LBPRGKRZSA-N 1 3 247.342 1.162 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638642237 352485468 /nfs/dbraw/zinc/48/54/68/352485468.db2.gz VYZWXFQHYXYENY-TUAOUCFPSA-N 1 3 241.379 1.007 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)N ZINC000040920177 352600384 /nfs/dbraw/zinc/60/03/84/352600384.db2.gz ZYTKMKNLLDYHTH-NSHDSACASA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768289 352604945 /nfs/dbraw/zinc/60/49/45/352604945.db2.gz WZKLYQMTKWHZLV-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO CCC[C@@](C)(N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821913 353002909 /nfs/dbraw/zinc/00/29/09/353002909.db2.gz DDNXXAHVOQFWLX-WCQYABFASA-N 1 3 241.379 1.234 20 0 BDADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356746705 188065341 /nfs/dbraw/zinc/06/53/41/188065341.db2.gz RJOUPYSNORRCIH-LBPRGKRZSA-N 1 3 243.395 1.172 20 0 BDADHO CC(C)N(C)CC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356746705 188065343 /nfs/dbraw/zinc/06/53/43/188065343.db2.gz RJOUPYSNORRCIH-LBPRGKRZSA-N 1 3 243.395 1.172 20 0 BDADHO C1=CCN(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098137 /nfs/dbraw/zinc/09/81/37/188098137.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 1 3 249.402 1.465 20 0 BDADHO C1=CCN(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355569185 188098139 /nfs/dbraw/zinc/09/81/39/188098139.db2.gz QISSATSEUZNSFC-GJZGRUSLSA-N 1 3 249.402 1.465 20 0 BDADHO C1C[NH2+]C[C@H](NC2CCSCC2)C1 ZINC000220686843 188109933 /nfs/dbraw/zinc/10/99/33/188109933.db2.gz JQNPTYCNBZQSJK-SNVBAGLBSA-N 1 3 200.351 1.224 20 0 BDADHO CC[C@@H](N)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000638975567 353182426 /nfs/dbraw/zinc/18/24/26/353182426.db2.gz LLNIJBANAVVRRH-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365407089 188179893 /nfs/dbraw/zinc/17/98/93/188179893.db2.gz YYQFKIJQRPGXSJ-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@](C)(O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365407089 188179895 /nfs/dbraw/zinc/17/98/95/188179895.db2.gz YYQFKIJQRPGXSJ-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@](C)(O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000365407089 188179897 /nfs/dbraw/zinc/17/98/97/188179897.db2.gz YYQFKIJQRPGXSJ-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338009426 188187287 /nfs/dbraw/zinc/18/72/87/188187287.db2.gz RLYIDMNLVJYPSP-ZIAGYGMSSA-N 1 3 240.391 1.733 20 0 BDADHO CC(=O)Nc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245286 188219582 /nfs/dbraw/zinc/21/95/82/188219582.db2.gz HRDYZOOMXYWRBI-ZDUSSCGKSA-N 1 3 247.342 1.426 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C(C)C)N(C)C ZINC000162747556 353330110 /nfs/dbraw/zinc/33/01/10/353330110.db2.gz SBQQSSZVDAQKTM-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CC1CCC(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085282362 538116120 /nfs/dbraw/zinc/11/61/20/538116120.db2.gz ODMVQPVKHQBGKB-HOAMVYINSA-N 1 3 222.376 1.964 20 0 BDADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639066942 353380547 /nfs/dbraw/zinc/38/05/47/353380547.db2.gz GKWBXSCARGTSHC-CMPLNLGQSA-N 1 3 247.342 1.203 20 0 BDADHO CC1CCC(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085282360 538116094 /nfs/dbraw/zinc/11/60/94/538116094.db2.gz ODMVQPVKHQBGKB-LLZFXZEUSA-N 1 3 222.376 1.964 20 0 BDADHO FC1(C[NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000308876291 353586700 /nfs/dbraw/zinc/58/67/00/353586700.db2.gz NLDSNOOUXARUPW-JTQLQIEISA-N 1 3 212.312 1.562 20 0 BDADHO CCCCN(C)C[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000344037216 354102342 /nfs/dbraw/zinc/10/23/42/354102342.db2.gz ILGZABSTGYCWBK-ZDUSSCGKSA-N 1 3 241.423 1.791 20 0 BDADHO CC(C)[N@H+](C)CCCN(C)CCN(C)C ZINC000344039835 354104842 /nfs/dbraw/zinc/10/48/42/354104842.db2.gz UVASZKGFEFPVPV-UHFFFAOYSA-N 1 3 215.385 1.210 20 0 BDADHO CC(C)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344039835 354104844 /nfs/dbraw/zinc/10/48/44/354104844.db2.gz UVASZKGFEFPVPV-UHFFFAOYSA-N 1 3 215.385 1.210 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCOCC1 ZINC000344287316 354204656 /nfs/dbraw/zinc/20/46/56/354204656.db2.gz ILZALZGLTFEHKB-GFCCVEGCSA-N 1 3 238.375 1.653 20 0 BDADHO CC1=CC[C@H]([NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000334803540 354559677 /nfs/dbraw/zinc/55/96/77/354559677.db2.gz GNSYKEGCMSBZED-ZDUSSCGKSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)N1CCC([NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000335951365 134021542 /nfs/dbraw/zinc/02/15/42/134021542.db2.gz SFBMIWNZMOVQEQ-JSGCOSHPSA-N 1 3 239.407 1.399 20 0 BDADHO CC(C)(C)CCN1CCN(CC(C)(C)[NH3+])CC1 ZINC000346840764 355133584 /nfs/dbraw/zinc/13/35/84/355133584.db2.gz UQQGLLMHUOPGCI-UHFFFAOYSA-N 1 3 241.423 1.778 20 0 BDADHO CCOC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346971027 355207411 /nfs/dbraw/zinc/20/74/11/355207411.db2.gz GUNLGCTXJYUUOD-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346971027 355207412 /nfs/dbraw/zinc/20/74/12/355207412.db2.gz GUNLGCTXJYUUOD-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346971027 355207413 /nfs/dbraw/zinc/20/74/13/355207413.db2.gz GUNLGCTXJYUUOD-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000346970739 355207558 /nfs/dbraw/zinc/20/75/58/355207558.db2.gz RHADENNGSFZJNY-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000346970739 355207560 /nfs/dbraw/zinc/20/75/60/355207560.db2.gz RHADENNGSFZJNY-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@@H](CN1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000412975241 191347016 /nfs/dbraw/zinc/34/70/16/191347016.db2.gz DUBJIQYLQNRGMA-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](CN1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000412975241 191347018 /nfs/dbraw/zinc/34/70/18/191347018.db2.gz DUBJIQYLQNRGMA-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](C[N@@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000412975241 191347020 /nfs/dbraw/zinc/34/70/20/191347020.db2.gz DUBJIQYLQNRGMA-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](C[N@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000412975241 191347023 /nfs/dbraw/zinc/34/70/23/191347023.db2.gz DUBJIQYLQNRGMA-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)OCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000113515179 355251861 /nfs/dbraw/zinc/25/18/61/355251861.db2.gz ILYXGCCQUYNCHT-ZDUSSCGKSA-N 1 3 228.380 1.685 20 0 BDADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169566 191450833 /nfs/dbraw/zinc/45/08/33/191450833.db2.gz BHCZEOUWFFXTTN-NEPJUHHUSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169566 191450835 /nfs/dbraw/zinc/45/08/35/191450835.db2.gz BHCZEOUWFFXTTN-NEPJUHHUSA-N 1 3 236.363 1.792 20 0 BDADHO CO[C@H](C[NH2+]CCCN(C)CC(C)C)C1CC1 ZINC000639287775 355396503 /nfs/dbraw/zinc/39/65/03/355396503.db2.gz AHAVEZPUAFCOAO-CQSZACIVSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703093 535285392 /nfs/dbraw/zinc/28/53/92/535285392.db2.gz GJKWZWNUHFLVLG-HZSPNIEDSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703093 535285400 /nfs/dbraw/zinc/28/54/00/535285400.db2.gz GJKWZWNUHFLVLG-HZSPNIEDSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCNCC1 ZINC000261538935 535285570 /nfs/dbraw/zinc/28/55/70/535285570.db2.gz ZVZODYJYCKYJOZ-VXGBXAGGSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@](C)(O)CN[C@@H]1CCC[NH2+]CC1 ZINC000261538935 535285572 /nfs/dbraw/zinc/28/55/72/535285572.db2.gz ZVZODYJYCKYJOZ-VXGBXAGGSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCNC1 ZINC000414857829 191603678 /nfs/dbraw/zinc/60/36/78/191603678.db2.gz QHMDMVWCYQYPRN-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1cc(C)cc(CNC[C@H](C)C[NH3+])c1 ZINC000414881059 191613639 /nfs/dbraw/zinc/61/36/39/191613639.db2.gz RXKKRNPQDPAOSY-GFCCVEGCSA-N 1 3 206.333 1.988 20 0 BDADHO Cn1cccc1CN1CCC(C[NH+](C)C)CC1 ZINC000350148632 355615528 /nfs/dbraw/zinc/61/55/28/355615528.db2.gz SNGQPZXEUWFXQJ-UHFFFAOYSA-N 1 3 235.375 1.799 20 0 BDADHO C[NH+](C)CC1CCN(Cc2cnc[nH]2)CC1 ZINC000350183493 355622235 /nfs/dbraw/zinc/62/22/35/355622235.db2.gz HEZIOIGRBJQFKI-UHFFFAOYSA-N 1 3 222.336 1.183 20 0 BDADHO C[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000389142725 355730471 /nfs/dbraw/zinc/73/04/71/355730471.db2.gz YQSFNXBNEBBDNR-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO COc1ccc(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216022116 355796624 /nfs/dbraw/zinc/79/66/24/355796624.db2.gz DHDHXXOSFZCFAD-WCQYABFASA-N 1 3 234.343 1.864 20 0 BDADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)N(C)C ZINC000350898355 355870851 /nfs/dbraw/zinc/87/08/51/355870851.db2.gz VIRMPLGXFSZXHZ-RYUDHWBXSA-N 1 3 243.395 1.219 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CCCc2ccncc2)C1 ZINC000420264926 192190941 /nfs/dbraw/zinc/19/09/41/192190941.db2.gz ATONPYCDDKEPOC-OAHLLOKOSA-N 1 3 247.386 1.946 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000420297592 192205731 /nfs/dbraw/zinc/20/57/31/192205731.db2.gz YVHRCIDEQOUZNZ-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000420288491 192200700 /nfs/dbraw/zinc/20/07/00/192200700.db2.gz IXZHENLOTXKNPB-LLVKDONJSA-N 1 3 230.352 1.245 20 0 BDADHO C[C@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509742 356339069 /nfs/dbraw/zinc/33/90/69/356339069.db2.gz LBXPBQYWMHPDNG-AAEUAGOBSA-N 1 3 249.358 1.702 20 0 BDADHO C[C@H]1C[C@@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509742 356339074 /nfs/dbraw/zinc/33/90/74/356339074.db2.gz LBXPBQYWMHPDNG-AAEUAGOBSA-N 1 3 249.358 1.702 20 0 BDADHO Cc1cccc([C@H](C)[N@H+](C)C[C@H](O)CN)c1 ZINC000420349922 192217471 /nfs/dbraw/zinc/21/74/71/192217471.db2.gz FEHLVHAMMIYQDV-WCQYABFASA-N 1 3 222.332 1.307 20 0 BDADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@H](O)CN)c1 ZINC000420349922 192217473 /nfs/dbraw/zinc/21/74/73/192217473.db2.gz FEHLVHAMMIYQDV-WCQYABFASA-N 1 3 222.332 1.307 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCCc2ccncc2)C1 ZINC000420305510 192208565 /nfs/dbraw/zinc/20/85/65/192208565.db2.gz KKEZKQSIEJNQDL-JSGCOSHPSA-N 1 3 233.359 1.683 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000420306728 192209229 /nfs/dbraw/zinc/20/92/29/192209229.db2.gz AXVVQFROWWUPAE-ZDUSSCGKSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000420306728 192209230 /nfs/dbraw/zinc/20/92/30/192209230.db2.gz AXVVQFROWWUPAE-ZDUSSCGKSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@](C)(C[NH3+])C1 ZINC000420306728 192209233 /nfs/dbraw/zinc/20/92/33/192209233.db2.gz AXVVQFROWWUPAE-ZDUSSCGKSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000420311125 192210542 /nfs/dbraw/zinc/21/05/42/192210542.db2.gz GVJLWCMFDISWLQ-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CCCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000420311125 192210545 /nfs/dbraw/zinc/21/05/45/192210545.db2.gz GVJLWCMFDISWLQ-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CC(C)OC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420308875 192211278 /nfs/dbraw/zinc/21/12/78/192211278.db2.gz KRFSMJHMSKFHEL-GFCCVEGCSA-N 1 3 242.363 1.402 20 0 BDADHO CCOC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000420317451 192212568 /nfs/dbraw/zinc/21/25/68/192212568.db2.gz OQJPHJPBGCMPMZ-LLVKDONJSA-N 1 3 228.336 1.143 20 0 BDADHO CCN(CC[C@@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000420322819 192228254 /nfs/dbraw/zinc/22/82/54/192228254.db2.gz SXYTZCSEXFCVAP-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H](CN)C(C)(C)C ZINC000420354894 192219436 /nfs/dbraw/zinc/21/94/36/192219436.db2.gz DHEYYXYDPCEAOK-LBPRGKRZSA-N 1 3 238.379 1.545 20 0 BDADHO CC(C)OCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420354331 192219784 /nfs/dbraw/zinc/21/97/84/192219784.db2.gz CYAIXECNEGGUPK-CYBMUJFWSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H]1C[C@@H](CO)CN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000420944518 192275515 /nfs/dbraw/zinc/27/55/15/192275515.db2.gz QZVRTGICOVJISM-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1C[C@@H](CO)CN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000420944518 192275516 /nfs/dbraw/zinc/27/55/16/192275516.db2.gz QZVRTGICOVJISM-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1C[C@H](CO)CN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000420944521 192275679 /nfs/dbraw/zinc/27/56/79/192275679.db2.gz QZVRTGICOVJISM-RDBSUJKOSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1C[C@H](CO)CN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000420944521 192275680 /nfs/dbraw/zinc/27/56/80/192275680.db2.gz QZVRTGICOVJISM-RDBSUJKOSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1OCC[C@H]1CN(C)CCC[NH+]1CCCC1 ZINC000639621658 356541277 /nfs/dbraw/zinc/54/12/77/356541277.db2.gz CCKAZQXSOXCXNA-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000422994527 192521975 /nfs/dbraw/zinc/52/19/75/192521975.db2.gz IBIXWCCNRSHPKI-DZGCQCFKSA-N 1 3 247.386 1.992 20 0 BDADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](N)c1ccccc1 ZINC000433171291 192548171 /nfs/dbraw/zinc/54/81/71/192548171.db2.gz DAPPODIJAFYCAR-OLZOCXBDSA-N 1 3 249.358 1.034 20 0 BDADHO C/C=C\C[C@H](CO)N[C@H](C)C[C@@H](C)[NH3+] ZINC000423045320 192550706 /nfs/dbraw/zinc/55/07/06/192550706.db2.gz BZPBOJBOEJMYJP-LOTCAWRZSA-N 1 3 200.326 1.029 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@@H]1[NH3+])C1CCCCC1 ZINC000423079558 192560258 /nfs/dbraw/zinc/56/02/58/192560258.db2.gz QYETXZDYDSRIDL-IHRRRGAJSA-N 1 3 240.391 1.787 20 0 BDADHO Cc1cnc([C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000578193797 366379530 /nfs/dbraw/zinc/37/95/30/366379530.db2.gz WJKQUGUPFKRGQF-RWMBFGLXSA-N 1 3 249.358 1.975 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423170204 192606072 /nfs/dbraw/zinc/60/60/72/192606072.db2.gz LGMUKOHZPALAJY-KTCIRNNBSA-N 1 3 224.348 1.427 20 0 BDADHO CCN1CCC([NH2+]CC(C)(C)N(C)C)CC1 ZINC000020125693 356998404 /nfs/dbraw/zinc/99/84/04/356998404.db2.gz XSISPTVMRZOONY-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO C[C@@H]([NH2+]CCc1cnccn1)[C@H]1CCCCN1 ZINC000389982115 357076480 /nfs/dbraw/zinc/07/64/80/357076480.db2.gz YBXAYRXVCCXDSL-DGCLKSJQSA-N 1 3 234.347 1.139 20 0 BDADHO COCC1(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000656200542 538784768 /nfs/dbraw/zinc/78/47/68/538784768.db2.gz ORRRXNMIHKYEQZ-RYUDHWBXSA-N 1 3 226.364 1.391 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]C2CSC2)C1 ZINC000628425463 357252955 /nfs/dbraw/zinc/25/29/55/357252955.db2.gz LTEMAQFBAICVSL-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425447 357252977 /nfs/dbraw/zinc/25/29/77/357252977.db2.gz LIKXJDGTMGZRIH-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000394034330 357316001 /nfs/dbraw/zinc/31/60/01/357316001.db2.gz FTOHIZXBCRVECE-TUAOUCFPSA-N 1 3 214.353 1.110 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2cnn(C)c2c1 ZINC000582481405 357317022 /nfs/dbraw/zinc/31/70/22/357317022.db2.gz AOBCXKCXBRJZPX-QWRGUYRKSA-N 1 3 246.358 1.789 20 0 BDADHO CC(C)N(C)C[C@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000583093893 357478895 /nfs/dbraw/zinc/47/88/95/357478895.db2.gz DUCQKACPWOPKKB-ZDUSSCGKSA-N 1 3 242.407 1.665 20 0 BDADHO CN(C)CCOCC[NH2+]C1CCCCCC1 ZINC000231676782 357620083 /nfs/dbraw/zinc/62/00/83/357620083.db2.gz OETBNDPOGXSZBI-UHFFFAOYSA-N 1 3 228.380 1.877 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN ZINC000423302126 192690929 /nfs/dbraw/zinc/69/09/29/192690929.db2.gz HCOGTPVHTBEBML-SRVKXCTJSA-N 1 3 214.353 1.376 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000397765913 357681943 /nfs/dbraw/zinc/68/19/43/357681943.db2.gz YWTCXTCBDUEEAI-GHMZBOCLSA-N 1 3 212.337 1.151 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCC2(O)CCC2)C1 ZINC000397765913 357681944 /nfs/dbraw/zinc/68/19/44/357681944.db2.gz YWTCXTCBDUEEAI-GHMZBOCLSA-N 1 3 212.337 1.151 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCC2=CCOCC2)C1 ZINC000397770348 357694697 /nfs/dbraw/zinc/69/46/97/357694697.db2.gz PMOLLADKDSNERR-NWDGAFQWSA-N 1 3 210.321 1.193 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC2=CCOCC2)C1 ZINC000397770346 357695143 /nfs/dbraw/zinc/69/51/43/357695143.db2.gz PMOLLADKDSNERR-NEPJUHHUSA-N 1 3 210.321 1.193 20 0 BDADHO COCCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000234629911 357820467 /nfs/dbraw/zinc/82/04/67/357820467.db2.gz IQSCVUCLEXGPPR-STQMWFEESA-N 1 3 228.380 1.910 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000398494295 357886170 /nfs/dbraw/zinc/88/61/70/357886170.db2.gz UOYYBTMZHQPLRL-GRYCIOLGSA-N 1 3 214.353 1.397 20 0 BDADHO C1CC1[NH+]1CCC(NC2CSC2)CC1 ZINC000307761221 491118809 /nfs/dbraw/zinc/11/88/09/491118809.db2.gz YONAQQNEOQKHCY-UHFFFAOYSA-N 1 3 212.362 1.318 20 0 BDADHO [NH3+]CCCCNCc1ccc(F)cc1F ZINC000037714622 358092660 /nfs/dbraw/zinc/09/26/60/358092660.db2.gz PZCUWDPAZALVFK-UHFFFAOYSA-N 1 3 214.259 1.793 20 0 BDADHO CCC[C@@]1(C)CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000584725751 358166297 /nfs/dbraw/zinc/16/62/97/358166297.db2.gz SOZYCDMHGBRFSA-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@@]1(C)CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000584725751 358166300 /nfs/dbraw/zinc/16/63/00/358166300.db2.gz SOZYCDMHGBRFSA-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@@]1(C)CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000584725751 358166303 /nfs/dbraw/zinc/16/63/03/358166303.db2.gz SOZYCDMHGBRFSA-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000584839346 358198773 /nfs/dbraw/zinc/19/87/73/358198773.db2.gz ZNTCIOZATMXVLJ-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCCO2)C1 ZINC000222987543 358217344 /nfs/dbraw/zinc/21/73/44/358217344.db2.gz FKBUMPCKCICVAL-WOPDTQHZSA-N 1 3 212.337 1.415 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000227416785 358356594 /nfs/dbraw/zinc/35/65/94/358356594.db2.gz FYMGSDXKUSUHPS-UPJWGTAASA-N 1 3 228.380 1.645 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000229215125 358367198 /nfs/dbraw/zinc/36/71/98/358367198.db2.gz OSPSHAKQNUQOSJ-VXGBXAGGSA-N 1 3 228.405 1.989 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000229215111 358367768 /nfs/dbraw/zinc/36/77/68/358367768.db2.gz OSPSHAKQNUQOSJ-RYUDHWBXSA-N 1 3 228.405 1.989 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H]1CCCO1 ZINC000173952233 134276999 /nfs/dbraw/zinc/27/69/99/134276999.db2.gz FXQZOKPVTZUWGO-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000173952233 134277000 /nfs/dbraw/zinc/27/70/00/134277000.db2.gz FXQZOKPVTZUWGO-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO COCCCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000044659222 358392304 /nfs/dbraw/zinc/39/23/04/358392304.db2.gz MZWWXDVKJHYOQT-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)CCN1C ZINC000129581643 491132161 /nfs/dbraw/zinc/13/21/61/491132161.db2.gz OHFDPZZSPDUQRH-NEPJUHHUSA-N 1 3 227.396 1.399 20 0 BDADHO CN1CCCC[C@H]1CC[NH+]1CCC(O)CC1 ZINC000049856238 358703214 /nfs/dbraw/zinc/70/32/14/358703214.db2.gz PKDQLYGPABERRF-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO CCN(CCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000131326634 358671110 /nfs/dbraw/zinc/67/11/10/358671110.db2.gz LRLNLARROCTQRQ-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CCCO)CC[C@H]1CCCC[N@H+]1C ZINC000131326634 358671112 /nfs/dbraw/zinc/67/11/12/358671112.db2.gz LRLNLARROCTQRQ-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO COc1cc(CNCCCC[NH+](C)C)sn1 ZINC000399113137 366507253 /nfs/dbraw/zinc/50/72/53/366507253.db2.gz IZPRMXYVXAKKSO-UHFFFAOYSA-N 1 3 243.376 1.583 20 0 BDADHO CCCCOCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403465 358967806 /nfs/dbraw/zinc/96/78/06/358967806.db2.gz CZZPYHAMGQHVQE-RYUDHWBXSA-N 1 3 214.353 1.663 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257505 /nfs/dbraw/zinc/25/75/05/359257505.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257508 /nfs/dbraw/zinc/25/75/08/359257508.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257510 /nfs/dbraw/zinc/25/75/10/359257510.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000248169033 359257515 /nfs/dbraw/zinc/25/75/15/359257515.db2.gz UJLSIAXTIPBZTK-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@@H]1COCC[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423402573 192744225 /nfs/dbraw/zinc/74/42/25/192744225.db2.gz YLQIHSYYYKTHJD-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO C[N@@H+]1CC[C@@H](NCC2(CO)CC2)CC1(C)C ZINC000623438108 359331814 /nfs/dbraw/zinc/33/18/14/359331814.db2.gz LTAOGERTLRGXEY-LLVKDONJSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@H+]1CC[C@@H](NCC2(CO)CC2)CC1(C)C ZINC000623438108 359331820 /nfs/dbraw/zinc/33/18/20/359331820.db2.gz LTAOGERTLRGXEY-LLVKDONJSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498122 192794811 /nfs/dbraw/zinc/79/48/11/192794811.db2.gz GMEOBVPDCMTGFU-UTUOFQBUSA-N 1 3 236.363 1.588 20 0 BDADHO CC1CCN(CCC[NH2+]C2CSC2)CC1 ZINC000309103959 491145040 /nfs/dbraw/zinc/14/50/40/491145040.db2.gz HAIVBEXLZXRPRN-UHFFFAOYSA-N 1 3 228.405 1.813 20 0 BDADHO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCCN(CC)CC ZINC000451260886 202388226 /nfs/dbraw/zinc/38/82/26/202388226.db2.gz VDMSMDZFOJZUIJ-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@@H]1[C@H](CO)CC[N@H+]1CCCN(CC)CC ZINC000451260886 202388229 /nfs/dbraw/zinc/38/82/29/202388229.db2.gz VDMSMDZFOJZUIJ-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@@H]1[C@H](CO)CCN1CCC[NH+](CC)CC ZINC000451260886 202388232 /nfs/dbraw/zinc/38/82/32/202388232.db2.gz VDMSMDZFOJZUIJ-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCCC(C)(C)C1 ZINC000578875271 366664565 /nfs/dbraw/zinc/66/45/65/366664565.db2.gz MXSDPKGXEJEGDB-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCCC(C)(C)C1 ZINC000578875271 366664573 /nfs/dbraw/zinc/66/45/73/366664573.db2.gz MXSDPKGXEJEGDB-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCCC(C)(C)C1 ZINC000578875271 366664574 /nfs/dbraw/zinc/66/45/74/366664574.db2.gz MXSDPKGXEJEGDB-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000089139532 359991944 /nfs/dbraw/zinc/99/19/44/359991944.db2.gz QCQYJKVQQQKFPC-TZMCWYRMSA-N 1 3 233.359 1.731 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1ccccn1 ZINC000089139532 359991950 /nfs/dbraw/zinc/99/19/50/359991950.db2.gz QCQYJKVQQQKFPC-TZMCWYRMSA-N 1 3 233.359 1.731 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146684 359992977 /nfs/dbraw/zinc/99/29/77/359992977.db2.gz YYEFIKSUSJVZRJ-OLZOCXBDSA-N 1 3 240.391 1.789 20 0 BDADHO [NH3+]CCCOC1CCN(Cc2ccncc2)CC1 ZINC000094069812 360294836 /nfs/dbraw/zinc/29/48/36/360294836.db2.gz RHPWLKOLZUMUJV-UHFFFAOYSA-N 1 3 249.358 1.411 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000449604761 200694324 /nfs/dbraw/zinc/69/43/24/200694324.db2.gz UPEILVXZBCFEJI-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H](C[NH2+][C@H](C)CCN)CC1CCOCC1 ZINC000414902984 200778907 /nfs/dbraw/zinc/77/89/07/200778907.db2.gz ZCPFBVKFSNVCKN-VXGBXAGGSA-N 1 3 228.380 1.766 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCN[C@H]2C)CC1 ZINC000629406560 361052521 /nfs/dbraw/zinc/05/25/21/361052521.db2.gz NXJOHUOJUZQJSC-WNYYMSAVSA-N 1 3 212.337 1.284 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000629418384 361062949 /nfs/dbraw/zinc/06/29/49/361062949.db2.gz XNZFGHAYUURGIG-MQYQWHSLSA-N 1 3 240.391 1.920 20 0 BDADHO CCO[C@H](CN1CCC[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629515949 361110332 /nfs/dbraw/zinc/11/03/32/361110332.db2.gz WQKCURUHOVFGIP-KWCYVHTRSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H](CCCCO)[NH2+][C@H]1CCNC12CCC2 ZINC000629517784 361114277 /nfs/dbraw/zinc/11/42/77/361114277.db2.gz YURMOBUHBFSWMD-RYUDHWBXSA-N 1 3 226.364 1.412 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCN1CC(F)F ZINC000629517918 361114303 /nfs/dbraw/zinc/11/43/03/361114303.db2.gz AAHHMCMZUNVCHH-HBNTYKKESA-N 1 3 249.349 1.431 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629517918 361114305 /nfs/dbraw/zinc/11/43/05/361114305.db2.gz AAHHMCMZUNVCHH-HBNTYKKESA-N 1 3 249.349 1.431 20 0 BDADHO COCCC[C@@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629516613 361115082 /nfs/dbraw/zinc/11/50/82/361115082.db2.gz LRKYDICIHOZKIR-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629516612 361115271 /nfs/dbraw/zinc/11/52/71/361115271.db2.gz LRKYDICIHOZKIR-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(F)cc1 ZINC000629529277 361137971 /nfs/dbraw/zinc/13/79/71/361137971.db2.gz XMOQHZHCHVVCET-NSHDSACASA-N 1 3 240.322 1.712 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cncc(F)c1 ZINC000629529266 361137980 /nfs/dbraw/zinc/13/79/80/361137980.db2.gz WYVFOUKZYJBJFY-SNVBAGLBSA-N 1 3 241.310 1.107 20 0 BDADHO CCc1ccc([C@H](C)NCCOCC[NH2+]C)o1 ZINC000629529142 361138725 /nfs/dbraw/zinc/13/87/25/361138725.db2.gz SNGOTUHOGCBIKE-NSHDSACASA-N 1 3 240.347 1.729 20 0 BDADHO C[NH2+]CCOCCN[C@@H]1CCCc2occc21 ZINC000629530430 361144578 /nfs/dbraw/zinc/14/45/78/361144578.db2.gz GWGTVBUXJDMUDH-GFCCVEGCSA-N 1 3 238.331 1.483 20 0 BDADHO CCSCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000159237533 361226820 /nfs/dbraw/zinc/22/68/20/361226820.db2.gz BUYKMHWTIYKDDE-UWVGGRQHSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000159237533 361226825 /nfs/dbraw/zinc/22/68/25/361226825.db2.gz BUYKMHWTIYKDDE-UWVGGRQHSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000159237533 361226828 /nfs/dbraw/zinc/22/68/28/361226828.db2.gz BUYKMHWTIYKDDE-UWVGGRQHSA-N 1 3 202.367 1.409 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H](F)C1)[C@H]1CC[NH2+]C1 ZINC000579232639 366728761 /nfs/dbraw/zinc/72/87/61/366728761.db2.gz RWEPQHSMMJOCPR-NNYUYHANSA-N 1 3 214.328 1.855 20 0 BDADHO COCC(C)(C)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000429270602 201084683 /nfs/dbraw/zinc/08/46/83/201084683.db2.gz XVOCAJVSTSIEMX-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO COCC(C)(C)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000429270602 201084686 /nfs/dbraw/zinc/08/46/86/201084686.db2.gz XVOCAJVSTSIEMX-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1ccsc1 ZINC000629538053 361402388 /nfs/dbraw/zinc/40/23/88/361402388.db2.gz LVOBXWHGYZMCHY-SNVBAGLBSA-N 1 3 228.361 1.764 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000629554340 361441319 /nfs/dbraw/zinc/44/13/19/361441319.db2.gz HVPVZQYEZCNOAX-FVCCEPFGSA-N 1 3 226.364 1.389 20 0 BDADHO CCO[C@H](CN1CC[C@@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000629550543 361442845 /nfs/dbraw/zinc/44/28/45/361442845.db2.gz ZEMIMVZAXGQMFV-CYZMBNFOSA-N 1 3 226.364 1.613 20 0 BDADHO CCO[C@H](CN1CC[C@H]([NH3+])C[C@@H]1C)C1CC1 ZINC000629550547 361443182 /nfs/dbraw/zinc/44/31/82/361443182.db2.gz ZEMIMVZAXGQMFV-WCFLWFBJSA-N 1 3 226.364 1.613 20 0 BDADHO CN(CCN[C@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000629555362 361447107 /nfs/dbraw/zinc/44/71/07/361447107.db2.gz VIXRZCPURKZACI-ZJUUUORDSA-N 1 3 235.322 1.043 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629542608 361419577 /nfs/dbraw/zinc/41/95/77/361419577.db2.gz GZCXZGAYQOGEGZ-MROQNXINSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](c1cccc(F)c1)N(C)CCOCC[NH3+] ZINC000629578107 361467684 /nfs/dbraw/zinc/46/76/84/361467684.db2.gz GPOUSPWPOFJYJK-LLVKDONJSA-N 1 3 240.322 1.794 20 0 BDADHO Oc1cccc2c1CCN(CC[C@H]1CC[NH2+]C1)C2 ZINC000629582652 361472359 /nfs/dbraw/zinc/47/23/59/361472359.db2.gz WECMHTTYKMXSQW-GFCCVEGCSA-N 1 3 246.354 1.750 20 0 BDADHO Oc1cccc2c1CCN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000629582654 361473163 /nfs/dbraw/zinc/47/31/63/361473163.db2.gz WECMHTTYKMXSQW-LBPRGKRZSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CCC1)C2 ZINC000629596022 361483775 /nfs/dbraw/zinc/48/37/75/361483775.db2.gz PWPZJSDFBDUQGS-BETUJISGSA-N 1 3 208.349 1.718 20 0 BDADHO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000629594412 361486460 /nfs/dbraw/zinc/48/64/60/361486460.db2.gz CDBFRZAUHCUEPM-VSVUCHCSSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C\C[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000629594412 361486463 /nfs/dbraw/zinc/48/64/63/361486463.db2.gz CDBFRZAUHCUEPM-VSVUCHCSSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C\C[C@@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000629594412 361486467 /nfs/dbraw/zinc/48/64/67/361486467.db2.gz CDBFRZAUHCUEPM-VSVUCHCSSA-N 1 3 240.391 1.635 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)N(C)C ZINC000629615567 361504642 /nfs/dbraw/zinc/50/46/42/361504642.db2.gz VEILJXIFVJNNID-OLZOCXBDSA-N 1 3 249.358 1.143 20 0 BDADHO CC[C@H](C(=O)NC[C@H]([NH3+])c1ccccc1)N(C)C ZINC000629615568 361505052 /nfs/dbraw/zinc/50/50/52/361505052.db2.gz VEILJXIFVJNNID-QWHCGFSZSA-N 1 3 249.358 1.143 20 0 BDADHO CCCC[C@@H](COC)NCCC[NH+](C)C ZINC000151938734 201187471 /nfs/dbraw/zinc/18/74/71/201187471.db2.gz JVGFRADSKJHGTJ-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO CC[C@@H]1CN(CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000629651958 361558354 /nfs/dbraw/zinc/55/83/54/361558354.db2.gz QREZDUXQSGYBRE-OLZOCXBDSA-N 1 3 224.348 1.392 20 0 BDADHO Cn1ccc(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000629654544 361558759 /nfs/dbraw/zinc/55/87/59/361558759.db2.gz QYTROBZBHXHMHV-CYBMUJFWSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@]1(CNCC2=CCCOC2)CCC[NH2+]C1 ZINC000629647724 361537292 /nfs/dbraw/zinc/53/72/92/361537292.db2.gz GOCXXNBECLZMAK-ZDUSSCGKSA-N 1 3 224.348 1.312 20 0 BDADHO C[C@]1(C[NH2+]CC2=CCCOC2)CCCNC1 ZINC000629647724 361537300 /nfs/dbraw/zinc/53/73/00/361537300.db2.gz GOCXXNBECLZMAK-ZDUSSCGKSA-N 1 3 224.348 1.312 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC(C)(C)N(C)C ZINC000152608713 201203616 /nfs/dbraw/zinc/20/36/16/201203616.db2.gz GGPOPSWOPDXTKN-NEPJUHHUSA-N 1 3 227.396 1.256 20 0 BDADHO COCc1ccc(CN[C@H](C)CCC[NH3+])o1 ZINC000629649026 361543268 /nfs/dbraw/zinc/54/32/68/361543268.db2.gz FCGMICNANPRYGV-SNVBAGLBSA-N 1 3 226.320 1.643 20 0 BDADHO Cn1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629649224 361543676 /nfs/dbraw/zinc/54/36/76/361543676.db2.gz MMJAMDWEJKLXQR-GJZGRUSLSA-N 1 3 247.386 1.989 20 0 BDADHO Cn1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000629653839 361554372 /nfs/dbraw/zinc/55/43/72/361554372.db2.gz KTZDUZWSCAQWAZ-CHWSQXEVSA-N 1 3 221.348 1.632 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CC2=CCCOC2)C1 ZINC000629651821 361557184 /nfs/dbraw/zinc/55/71/84/361557184.db2.gz KSTXVHOUUANYMK-WCQYABFASA-N 1 3 224.348 1.392 20 0 BDADHO Cc1cccc(CN(C)CCOCC[NH3+])c1C ZINC000629661943 361594539 /nfs/dbraw/zinc/59/45/39/361594539.db2.gz DUHXHBNHGBVXPZ-UHFFFAOYSA-N 1 3 236.359 1.711 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@@H]1CCOC1)C2 ZINC000629661593 361594734 /nfs/dbraw/zinc/59/47/34/361594734.db2.gz BMXQGJDEHFWWKR-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO COC[C@@H]1CCCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000448555563 201261955 /nfs/dbraw/zinc/26/19/55/201261955.db2.gz MQKNAONRSGPCRY-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO COC[C@@H]1CCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000448555563 201261958 /nfs/dbraw/zinc/26/19/58/201261958.db2.gz MQKNAONRSGPCRY-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO N[C@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723869 361665853 /nfs/dbraw/zinc/66/58/53/361665853.db2.gz SQEIDEYEBWKDED-CYBMUJFWSA-N 1 3 218.300 1.055 20 0 BDADHO c1c(CNC2CCCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630606517 364329495 /nfs/dbraw/zinc/32/94/95/364329495.db2.gz ZSKCLQMPDDKHCZ-LBPRGKRZSA-N 1 3 249.362 1.062 20 0 BDADHO C(C[NH2+]C1CSC1)CN1CCCC1 ZINC000308329726 541365958 /nfs/dbraw/zinc/36/59/58/541365958.db2.gz JVDBXOXYIWZAOF-UHFFFAOYSA-N 1 3 200.351 1.177 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000573338666 364803171 /nfs/dbraw/zinc/80/31/71/364803171.db2.gz VDMVNQCAMIWVRZ-LPWJVIDDSA-N 1 3 226.364 1.519 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624026 364878230 /nfs/dbraw/zinc/87/82/30/364878230.db2.gz HUNOTZJMADKSIZ-CYDGBPFRSA-N 1 3 226.364 1.397 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590358 364965293 /nfs/dbraw/zinc/96/52/93/364965293.db2.gz ZCCDMXXTSCRRKS-NEPJUHHUSA-N 1 3 226.364 1.399 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC2(CO)CCCC2)C1 ZINC000168590358 364965296 /nfs/dbraw/zinc/96/52/96/364965296.db2.gz ZCCDMXXTSCRRKS-NEPJUHHUSA-N 1 3 226.364 1.399 20 0 BDADHO NCCC[N@H+](CC1CCCC1)C[C@@H]1CCOC1 ZINC000352494863 181379493 /nfs/dbraw/zinc/37/94/93/181379493.db2.gz GINFMPPKQVZSPZ-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO NCCC[N@@H+](CC1CCCC1)C[C@@H]1CCOC1 ZINC000352494863 181379495 /nfs/dbraw/zinc/37/94/95/181379495.db2.gz GINFMPPKQVZSPZ-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCCC1)C1=CCN(C)CC1 ZINC000574073448 364982869 /nfs/dbraw/zinc/98/28/69/364982869.db2.gz DLAFBZXHFDJPOZ-GFCCVEGCSA-N 1 3 238.375 1.532 20 0 BDADHO [NH3+]C1(CNCCCc2ccncc2)CCC1 ZINC000574159338 364998415 /nfs/dbraw/zinc/99/84/15/364998415.db2.gz HXGQLEPKKXYEJJ-UHFFFAOYSA-N 1 3 219.332 1.485 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000574519509 365080518 /nfs/dbraw/zinc/08/05/18/365080518.db2.gz OOQPSNWOSGZKHU-UHTWSYAYSA-N 1 3 220.316 1.453 20 0 BDADHO CCC[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000574881708 365168360 /nfs/dbraw/zinc/16/83/60/365168360.db2.gz HJDYPOZPRGSLLI-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000574881708 365168362 /nfs/dbraw/zinc/16/83/62/365168362.db2.gz HJDYPOZPRGSLLI-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000574881708 365168366 /nfs/dbraw/zinc/16/83/66/365168366.db2.gz HJDYPOZPRGSLLI-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO Cc1cnc(CN2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000442918910 193005093 /nfs/dbraw/zinc/00/50/93/193005093.db2.gz IGEJYMAROPJGCS-LBPRGKRZSA-N 1 3 234.347 1.346 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[NH2+]1 ZINC000444269723 193043907 /nfs/dbraw/zinc/04/39/07/193043907.db2.gz NEHJEWVILPJIPL-GFCCVEGCSA-N 1 3 247.342 1.357 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000379788305 365272210 /nfs/dbraw/zinc/27/22/10/365272210.db2.gz INMXTXIKBVXPLP-GRYCIOLGSA-N 1 3 212.337 1.415 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000379788327 365272322 /nfs/dbraw/zinc/27/23/22/365272322.db2.gz INMXTXIKBVXPLP-WOPDTQHZSA-N 1 3 212.337 1.415 20 0 BDADHO FCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000379810894 365278144 /nfs/dbraw/zinc/27/81/44/365278144.db2.gz AEXNQBKGJOZKJT-QJPTWQEYSA-N 1 3 214.328 1.856 20 0 BDADHO O=C(C[NH2+]CC1CC1)Nc1ccc2c(c1)CNC2 ZINC000575921658 365415003 /nfs/dbraw/zinc/41/50/03/365415003.db2.gz HEJRWBVLVYSHNA-UHFFFAOYSA-N 1 3 245.326 1.228 20 0 BDADHO CC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339193512 365452323 /nfs/dbraw/zinc/45/23/23/365452323.db2.gz GRTCIWNKHORDRN-ZGVCCVRISA-N 1 3 226.364 1.314 20 0 BDADHO CC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339193512 365452330 /nfs/dbraw/zinc/45/23/30/365452330.db2.gz GRTCIWNKHORDRN-ZGVCCVRISA-N 1 3 226.364 1.314 20 0 BDADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1ncc[nH]1 ZINC000353603573 541483680 /nfs/dbraw/zinc/48/36/80/541483680.db2.gz GOOBQSPAMKRCKW-NSHDSACASA-N 1 3 248.374 1.935 20 0 BDADHO C[C@@H]1OCCN(CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000380582972 367246595 /nfs/dbraw/zinc/24/65/95/367246595.db2.gz YFPRKHLIUSXLMD-SDDRHHMPSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1OCCN(CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000380582973 367246970 /nfs/dbraw/zinc/24/69/70/367246970.db2.gz YFPRKHLIUSXLMD-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC000581499792 367528020 /nfs/dbraw/zinc/52/80/20/367528020.db2.gz SGWDEAUVURLXSN-AGIUHOORSA-N 1 3 242.363 1.042 20 0 BDADHO COCC(C)(C)C[NH2+]CCCNC1CC1 ZINC000382525908 367532173 /nfs/dbraw/zinc/53/21/73/367532173.db2.gz GJVUKZWPESWEFD-UHFFFAOYSA-N 1 3 214.353 1.391 20 0 BDADHO CC(C)OCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000383518726 367631819 /nfs/dbraw/zinc/63/18/19/367631819.db2.gz IIEREASEJREYSM-RYUDHWBXSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@H](c1ccncc1)N(C)CCOCC[NH3+] ZINC000383881611 367657305 /nfs/dbraw/zinc/65/73/05/367657305.db2.gz WIYPVMUQKHPUOK-LLVKDONJSA-N 1 3 223.320 1.050 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000384861435 367745856 /nfs/dbraw/zinc/74/58/56/367745856.db2.gz DMGQNJMQGYZUIE-NOOOWODRSA-N 1 3 214.353 1.482 20 0 BDADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000386036830 367902264 /nfs/dbraw/zinc/90/22/64/367902264.db2.gz RVJYPWFCLFLZBD-SGMGOOAPSA-N 1 3 237.391 1.343 20 0 BDADHO COCC(C)(C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386547551 367990664 /nfs/dbraw/zinc/99/06/64/367990664.db2.gz GDFMNZYNIAMNQU-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386544411 367991172 /nfs/dbraw/zinc/99/11/72/367991172.db2.gz FFKBMRBVGSSJLW-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000386560243 367992293 /nfs/dbraw/zinc/99/22/93/367992293.db2.gz IXLINWAGASNMSG-NNYUYHANSA-N 1 3 246.420 1.219 20 0 BDADHO C[C@@H]([NH2+]CCOCC(F)F)[C@H]1CCCCN1 ZINC000386586033 367996440 /nfs/dbraw/zinc/99/64/40/367996440.db2.gz PZCMJGMEUQLDAQ-NXEZZACHSA-N 1 3 236.306 1.388 20 0 BDADHO C[C@H](NCC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386372883 367957924 /nfs/dbraw/zinc/95/79/24/367957924.db2.gz BOUWEMJSCVRNHN-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)N(C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620912 368003521 /nfs/dbraw/zinc/00/35/21/368003521.db2.gz YEGPHOPVBTWZRV-CHWSQXEVSA-N 1 3 227.396 1.447 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)c2ccccc21)[C@@H](C)O ZINC000386879375 368030836 /nfs/dbraw/zinc/03/08/36/368030836.db2.gz LWWIKRALAYXZBE-IGJVIKARSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000253180067 368590924 /nfs/dbraw/zinc/59/09/24/368590924.db2.gz DGHGXRJPSCUGGR-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000086874078 368886192 /nfs/dbraw/zinc/88/61/92/368886192.db2.gz LTIRHYOKNSVPJE-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH2+]CCCN[C@H](C)[C@H]1CCCO1 ZINC000567638859 326236093 /nfs/dbraw/zinc/23/60/93/326236093.db2.gz NXVHFWZSWZKWCC-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO CN(C)C[C@H]1CCCCN1C(=O)CCCC[NH3+] ZINC000404905827 369439158 /nfs/dbraw/zinc/43/91/58/369439158.db2.gz YRCHZKSCRWEXNT-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2cncs2)C1 ZINC000459738589 203348263 /nfs/dbraw/zinc/34/82/63/203348263.db2.gz RYNJINHWUGEBSA-LLVKDONJSA-N 1 3 239.388 1.965 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2cncs2)C1 ZINC000459738589 203348267 /nfs/dbraw/zinc/34/82/67/203348267.db2.gz RYNJINHWUGEBSA-LLVKDONJSA-N 1 3 239.388 1.965 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2cccnc2)C1 ZINC000459747110 203353085 /nfs/dbraw/zinc/35/30/85/203353085.db2.gz ZVBGGAPPCJNWDR-CYBMUJFWSA-N 1 3 233.359 1.903 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2cccnc2)C1 ZINC000459747110 203353088 /nfs/dbraw/zinc/35/30/88/203353088.db2.gz ZVBGGAPPCJNWDR-CYBMUJFWSA-N 1 3 233.359 1.903 20 0 BDADHO CC[C@@H](CO)NC1CC[NH+](C(C)(C)C)CC1 ZINC000166278119 203388524 /nfs/dbraw/zinc/38/85/24/203388524.db2.gz JHBLMWLNGZZOPN-NSHDSACASA-N 1 3 228.380 1.610 20 0 BDADHO NC[C@@H]1C[N@H+](CCCF)CC12CCOCC2 ZINC000567894800 326278292 /nfs/dbraw/zinc/27/82/92/326278292.db2.gz VIPJEPXWIYZBQE-LLVKDONJSA-N 1 3 230.327 1.033 20 0 BDADHO NC[C@@H]1C[N@@H+](CCCF)CC12CCOCC2 ZINC000567894800 326278294 /nfs/dbraw/zinc/27/82/94/326278294.db2.gz VIPJEPXWIYZBQE-LLVKDONJSA-N 1 3 230.327 1.033 20 0 BDADHO [NH3+]C[C@@H]1CN(CCCF)CC12CCOCC2 ZINC000567894800 326278296 /nfs/dbraw/zinc/27/82/96/326278296.db2.gz VIPJEPXWIYZBQE-LLVKDONJSA-N 1 3 230.327 1.033 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000252678987 370111222 /nfs/dbraw/zinc/11/12/22/370111222.db2.gz WDZOKLLONBHSJY-XDQVBPFNSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CO ZINC000621372528 370311360 /nfs/dbraw/zinc/31/13/60/370311360.db2.gz XBEQLIWEWXGXTF-RDBSUJKOSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1CO ZINC000621372528 370311366 /nfs/dbraw/zinc/31/13/66/370311366.db2.gz XBEQLIWEWXGXTF-RDBSUJKOSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC000066124541 370552553 /nfs/dbraw/zinc/55/25/53/370552553.db2.gz HUVWVVKSJMJMPW-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC000066124541 370552559 /nfs/dbraw/zinc/55/25/59/370552559.db2.gz HUVWVVKSJMJMPW-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CCn1cc(CCN[C@@](C)(C[NH3+])C2CC2)cn1 ZINC000621775264 370523528 /nfs/dbraw/zinc/52/35/28/370523528.db2.gz JZXYRCIEARZRHA-ZDUSSCGKSA-N 1 3 236.363 1.163 20 0 BDADHO N[C@]12CCC[C@@H]1C[N@H+](CCCCCF)C2 ZINC000621784034 370534092 /nfs/dbraw/zinc/53/40/92/370534092.db2.gz IQQOOCCWWKJPGW-NEPJUHHUSA-N 1 3 214.328 1.939 20 0 BDADHO N[C@]12CCC[C@@H]1C[N@@H+](CCCCCF)C2 ZINC000621784034 370534095 /nfs/dbraw/zinc/53/40/95/370534095.db2.gz IQQOOCCWWKJPGW-NEPJUHHUSA-N 1 3 214.328 1.939 20 0 BDADHO CC[N@@H+]1CCC[C@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631055864 371174528 /nfs/dbraw/zinc/17/45/28/371174528.db2.gz AKIPAKXAZPYZNQ-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CC[N@H+]1CCC[C@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631055864 371174533 /nfs/dbraw/zinc/17/45/33/371174533.db2.gz AKIPAKXAZPYZNQ-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631055864 371174538 /nfs/dbraw/zinc/17/45/38/371174538.db2.gz AKIPAKXAZPYZNQ-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122162 371322696 /nfs/dbraw/zinc/32/26/96/371322696.db2.gz LIXDBDKMRTXLPI-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823866 372601958 /nfs/dbraw/zinc/60/19/58/372601958.db2.gz PMOQNGJMNMKDAO-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H]1CCO[C@H]1C ZINC000631822218 372598295 /nfs/dbraw/zinc/59/82/95/372598295.db2.gz WVOQBYIPPWCDDK-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1C[C@@H]1CCO[C@H]1C ZINC000631822218 372598300 /nfs/dbraw/zinc/59/83/00/372598300.db2.gz WVOQBYIPPWCDDK-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO [NH3+]CCCN1CCC2(CCSCC2)CC1 ZINC000631836718 372625276 /nfs/dbraw/zinc/62/52/76/372625276.db2.gz FSSAMQYRIOPKMK-UHFFFAOYSA-N 1 3 228.405 1.944 20 0 BDADHO C[C@@H](c1ccncc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840026 372636900 /nfs/dbraw/zinc/63/69/00/372636900.db2.gz OJXSJWZVYJMDGC-NTZNESFSSA-N 1 3 219.332 1.669 20 0 BDADHO Cc1nccnc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000631825294 372604185 /nfs/dbraw/zinc/60/41/85/372604185.db2.gz DXZDDGYUMBIBEZ-LBPRGKRZSA-N 1 3 234.347 1.346 20 0 BDADHO CCOC(=O)CCN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000420306459 206024433 /nfs/dbraw/zinc/02/44/33/206024433.db2.gz HNJPAEPLQDALHW-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO COC[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424381427 206040038 /nfs/dbraw/zinc/04/00/38/206040038.db2.gz YZAQXWFOVBGBCH-UTUOFQBUSA-N 1 3 214.353 1.517 20 0 BDADHO CCOc1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000220536520 134309650 /nfs/dbraw/zinc/30/96/50/134309650.db2.gz OABWEVMFQPVZMG-NSHDSACASA-N 1 3 222.332 1.912 20 0 BDADHO OC1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000127376158 183020462 /nfs/dbraw/zinc/02/04/62/183020462.db2.gz BCBZDFQFMSRBHI-RWMBFGLXSA-N 1 3 238.375 1.412 20 0 BDADHO OCCN(CCC[NH+]1CCCCC1)CC1CC1 ZINC000352490279 183066335 /nfs/dbraw/zinc/06/63/35/183066335.db2.gz HVSZTXIIVLUJLK-UHFFFAOYSA-N 1 3 240.391 1.567 20 0 BDADHO CCCN(C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357358902 169067274 /nfs/dbraw/zinc/06/72/74/169067274.db2.gz XWFYZNMHZQCHGC-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)[C@H](C)CC ZINC000228509869 169121149 /nfs/dbraw/zinc/12/11/49/169121149.db2.gz CMYCJHVSJLNNTL-NEPJUHHUSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)[C@H](C)CC ZINC000228509869 169121150 /nfs/dbraw/zinc/12/11/50/169121150.db2.gz CMYCJHVSJLNNTL-NEPJUHHUSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[NH+]1CCC(N(C)CC2(C)COC2)CC1 ZINC000336715986 169186493 /nfs/dbraw/zinc/18/64/93/169186493.db2.gz VKUNKXCPFWDNJL-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CCCN1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000020189555 169188010 /nfs/dbraw/zinc/18/80/10/169188010.db2.gz OQQYFUICNJYJOI-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](CC)OC)CC1 ZINC000309397867 169188443 /nfs/dbraw/zinc/18/84/43/169188443.db2.gz UUDZKCDLDVJPOY-CYBMUJFWSA-N 1 3 228.380 1.875 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2C[C@H](O)C2(C)C)CC1 ZINC000129223531 169190184 /nfs/dbraw/zinc/19/01/84/169190184.db2.gz UUMWCLIHJGMBGR-STQMWFEESA-N 1 3 240.391 1.610 20 0 BDADHO CCCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374429012 169204861 /nfs/dbraw/zinc/20/48/61/169204861.db2.gz NNFCPVMWZSBNDK-YNEHKIRRSA-N 1 3 226.364 1.580 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C)[C@@H](C)C1 ZINC000223199284 134337454 /nfs/dbraw/zinc/33/74/54/134337454.db2.gz OKJUPXFJWPLMJC-XQQFMLRXSA-N 1 3 227.396 1.256 20 0 BDADHO CC(C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183868720 134356874 /nfs/dbraw/zinc/35/68/74/134356874.db2.gz KDKAEMHYMARTSQ-PSEXLTFBSA-N 1 3 226.364 1.218 20 0 BDADHO CC(C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183868720 134356875 /nfs/dbraw/zinc/35/68/75/134356875.db2.gz KDKAEMHYMARTSQ-PSEXLTFBSA-N 1 3 226.364 1.218 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226867967 134370144 /nfs/dbraw/zinc/37/01/44/134370144.db2.gz WAFJYAZLLNGTOU-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867967 134370145 /nfs/dbraw/zinc/37/01/45/134370145.db2.gz WAFJYAZLLNGTOU-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000070074075 383860178 /nfs/dbraw/zinc/86/01/78/383860178.db2.gz JPXKDXXEUODRLV-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000070074075 383860182 /nfs/dbraw/zinc/86/01/82/383860182.db2.gz JPXKDXXEUODRLV-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CO[C@@H](C[NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000400229017 383925462 /nfs/dbraw/zinc/92/54/62/383925462.db2.gz QULBIOYJTOIEIY-ZDUSSCGKSA-N 1 3 224.348 1.263 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]CCCNC2CC2)C1 ZINC000643545080 384009907 /nfs/dbraw/zinc/00/99/07/384009907.db2.gz LUIYXKVVOJRZCN-OLZOCXBDSA-N 1 3 226.364 1.676 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545995 384014439 /nfs/dbraw/zinc/01/44/39/384014439.db2.gz GTZXCRNAFWPMGY-STQMWFEESA-N 1 3 238.375 1.676 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545995 384014444 /nfs/dbraw/zinc/01/44/44/384014444.db2.gz GTZXCRNAFWPMGY-STQMWFEESA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1[C@H](C)N(CC[NH+]2CCCCC2)CCN1C ZINC000335895729 384092095 /nfs/dbraw/zinc/09/20/95/384092095.db2.gz AUKUHRFBZLPBRW-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000070315447 384099168 /nfs/dbraw/zinc/09/91/68/384099168.db2.gz ONEGZWKMJUECOV-LLVKDONJSA-N 1 3 249.358 1.814 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846949 384122676 /nfs/dbraw/zinc/12/26/76/384122676.db2.gz UUOLOCOEYLMSOH-FOJMLEQCSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846949 384122677 /nfs/dbraw/zinc/12/26/77/384122677.db2.gz UUOLOCOEYLMSOH-FOJMLEQCSA-N 1 3 224.348 1.379 20 0 BDADHO CCOC[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000313250736 384154359 /nfs/dbraw/zinc/15/43/59/384154359.db2.gz SWKHRQJCLCCVFD-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000313250736 384154363 /nfs/dbraw/zinc/15/43/63/384154363.db2.gz SWKHRQJCLCCVFD-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000313250736 384154368 /nfs/dbraw/zinc/15/43/68/384154368.db2.gz SWKHRQJCLCCVFD-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO COC[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236422 384234923 /nfs/dbraw/zinc/23/49/23/384234923.db2.gz IWHMCUAWWNBIRM-VXGBXAGGSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000397236422 384234925 /nfs/dbraw/zinc/23/49/25/384234925.db2.gz IWHMCUAWWNBIRM-VXGBXAGGSA-N 1 3 212.337 1.143 20 0 BDADHO CCC[C@H](C)CN1CCCO[C@H](C[NH3+])C1 ZINC000313340145 384270349 /nfs/dbraw/zinc/27/03/49/384270349.db2.gz LPYMHHAPDHKGQF-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CCC[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000390072373 384315742 /nfs/dbraw/zinc/31/57/42/384315742.db2.gz OGTCKSLCNPFMOB-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOCC(F)(F)F ZINC000405479347 384369008 /nfs/dbraw/zinc/36/90/08/384369008.db2.gz MTCHZHMVAIYMKW-HTQZYQBOSA-N 1 3 240.269 1.281 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOCC(F)(F)F ZINC000405479347 384369010 /nfs/dbraw/zinc/36/90/10/384369010.db2.gz MTCHZHMVAIYMKW-HTQZYQBOSA-N 1 3 240.269 1.281 20 0 BDADHO CC(C)[C@H](CCO)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000229622672 384396078 /nfs/dbraw/zinc/39/60/78/384396078.db2.gz SZRBZBOEGVXBAI-MCIONIFRSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622672 384396084 /nfs/dbraw/zinc/39/60/84/384396084.db2.gz SZRBZBOEGVXBAI-MCIONIFRSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622672 384396089 /nfs/dbraw/zinc/39/60/89/384396089.db2.gz SZRBZBOEGVXBAI-MCIONIFRSA-N 1 3 240.391 1.610 20 0 BDADHO COCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084216534 384378221 /nfs/dbraw/zinc/37/82/21/384378221.db2.gz DJLQTUGYMOHVGQ-RYUDHWBXSA-N 1 3 214.353 1.520 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607346 384381707 /nfs/dbraw/zinc/38/17/07/384381707.db2.gz RBUFMAWUCXXHPJ-ZYHUDNBSSA-N 1 3 210.321 1.015 20 0 BDADHO Cc1ccncc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000135451267 384445824 /nfs/dbraw/zinc/44/58/24/384445824.db2.gz GIJYMFYUXFQIHU-CYBMUJFWSA-N 1 3 245.370 1.964 20 0 BDADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CCOCC1 ZINC000082544842 384430659 /nfs/dbraw/zinc/43/06/59/384430659.db2.gz VGZAXBZNHVMUBS-CMPLNLGQSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CCOCC1 ZINC000082544842 384430663 /nfs/dbraw/zinc/43/06/63/384430663.db2.gz VGZAXBZNHVMUBS-CMPLNLGQSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1C[C@H]([NH3+])CCN1CC1CCOCC1 ZINC000082544842 384430665 /nfs/dbraw/zinc/43/06/65/384430665.db2.gz VGZAXBZNHVMUBS-CMPLNLGQSA-N 1 3 212.337 1.225 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)OC)[C@H](C)C1 ZINC000175729600 384481986 /nfs/dbraw/zinc/48/19/86/384481986.db2.gz JUFHUZQYTQMTHF-VXGBXAGGSA-N 1 3 242.363 1.212 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)OC)[C@H](C)C1 ZINC000175729600 384481990 /nfs/dbraw/zinc/48/19/90/384481990.db2.gz JUFHUZQYTQMTHF-VXGBXAGGSA-N 1 3 242.363 1.212 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2NCC2(C)C)cc1 ZINC000648146619 384490152 /nfs/dbraw/zinc/49/01/52/384490152.db2.gz WVASGROHFLWLJC-GFCCVEGCSA-N 1 3 247.342 1.343 20 0 BDADHO C[NH+](C)CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000019439790 384522079 /nfs/dbraw/zinc/52/20/79/384522079.db2.gz HLJUZOFHJYJSSI-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO CCN(CC)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000236837532 384589817 /nfs/dbraw/zinc/58/98/17/384589817.db2.gz RPEDGLGBBYICMC-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)OC ZINC000356330620 384624929 /nfs/dbraw/zinc/62/49/29/384624929.db2.gz HFNBAKSHSHIHFA-XQQFMLRXSA-N 1 3 228.380 1.909 20 0 BDADHO COC[C@H](C)CNC[C@H]1[NH2+]CCCC1(C)C ZINC000556938317 384668657 /nfs/dbraw/zinc/66/86/57/384668657.db2.gz WNQAYJXQZNUEDV-VXGBXAGGSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H]1CCC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000336191130 384721666 /nfs/dbraw/zinc/72/16/66/384721666.db2.gz CBSJQKLKRRUMEL-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO CCC(CC)(CCO)CN[C@@H]1C[NH2+]C[C@H](C)C1 ZINC000647550200 384745835 /nfs/dbraw/zinc/74/58/35/384745835.db2.gz FMCYYLXIQNKVGC-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO N[C@@H](CC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000163270925 384785495 /nfs/dbraw/zinc/78/54/95/384785495.db2.gz CJXRTIFHCLHORG-OLZOCXBDSA-N 1 3 247.342 1.026 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCC[NH2+]CC2)O1 ZINC000398107442 384805943 /nfs/dbraw/zinc/80/59/43/384805943.db2.gz AHZUEXCNMGWYCV-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423329117 384806250 /nfs/dbraw/zinc/80/62/50/384806250.db2.gz ONTCNTMWCFBINT-VHDGCEQUSA-N 1 3 247.386 1.759 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000308558510 384806835 /nfs/dbraw/zinc/80/68/35/384806835.db2.gz CRYLTDSEBFSGST-GARJFASQSA-N 1 3 202.342 1.197 20 0 BDADHO COC[C@@H](NC[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109090 384808051 /nfs/dbraw/zinc/80/80/51/384808051.db2.gz NJXSJLGKHSGVKQ-CHWSQXEVSA-N 1 3 226.364 1.391 20 0 BDADHO COC[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000398109090 384808060 /nfs/dbraw/zinc/80/80/60/384808060.db2.gz NJXSJLGKHSGVKQ-CHWSQXEVSA-N 1 3 226.364 1.391 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCC1(O)CCCCC1 ZINC000335040216 384814502 /nfs/dbraw/zinc/81/45/02/384814502.db2.gz CNDNDVJDCMPHFT-QWRGUYRKSA-N 1 3 212.337 1.151 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220666078 384871600 /nfs/dbraw/zinc/87/16/00/384871600.db2.gz PNSFULHJDVNAFF-GMTAPVOTSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCSC2)C1 ZINC000220666078 384871605 /nfs/dbraw/zinc/87/16/05/384871605.db2.gz PNSFULHJDVNAFF-GMTAPVOTSA-N 1 3 214.378 1.742 20 0 BDADHO C[C@H](O)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000644618147 385007781 /nfs/dbraw/zinc/00/77/81/385007781.db2.gz HKIXLTHPCNJJAY-LBPRGKRZSA-N 1 3 249.358 1.268 20 0 BDADHO CC[C@@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500771 385023084 /nfs/dbraw/zinc/02/30/84/385023084.db2.gz QTRHBJHFRCLFQJ-AGIUHOORSA-N 1 3 228.380 1.658 20 0 BDADHO C[C@H](CCC[NH3+])NCc1cccc2c1OCO2 ZINC000310441263 385063313 /nfs/dbraw/zinc/06/33/13/385063313.db2.gz VTWVGIYHTKRYRQ-SNVBAGLBSA-N 1 3 236.315 1.632 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000340490014 385071554 /nfs/dbraw/zinc/07/15/54/385071554.db2.gz TWAAIWXRGDHOLC-MELADBBJSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340490014 385071560 /nfs/dbraw/zinc/07/15/60/385071560.db2.gz TWAAIWXRGDHOLC-MELADBBJSA-N 1 3 238.375 1.628 20 0 BDADHO c1ccc2c(c1)CC([NH2+]C1CCNCC1)C2 ZINC000058819687 385023714 /nfs/dbraw/zinc/02/37/14/385023714.db2.gz MVOPTBROBQDHCM-UHFFFAOYSA-N 1 3 216.328 1.495 20 0 BDADHO c1ccc2c(c1)CC(NC1CC[NH2+]CC1)C2 ZINC000058819687 385023719 /nfs/dbraw/zinc/02/37/19/385023719.db2.gz MVOPTBROBQDHCM-UHFFFAOYSA-N 1 3 216.328 1.495 20 0 BDADHO Cc1ccccc1CC[NH2+]C1CCNCC1 ZINC000086762919 385043065 /nfs/dbraw/zinc/04/30/65/385043065.db2.gz JIHSDKVMROXPGV-UHFFFAOYSA-N 1 3 218.344 1.879 20 0 BDADHO Cc1ccccc1CCNC1CC[NH2+]CC1 ZINC000086762919 385043072 /nfs/dbraw/zinc/04/30/72/385043072.db2.gz JIHSDKVMROXPGV-UHFFFAOYSA-N 1 3 218.344 1.879 20 0 BDADHO CC(C)COCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000404836786 385097818 /nfs/dbraw/zinc/09/78/18/385097818.db2.gz AKQMSWIUAOJLRI-QWRGUYRKSA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)COCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000404836786 385097823 /nfs/dbraw/zinc/09/78/23/385097823.db2.gz AKQMSWIUAOJLRI-QWRGUYRKSA-N 1 3 214.353 1.374 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCC[C@H]1CCCO1 ZINC000404844537 385103036 /nfs/dbraw/zinc/10/30/36/385103036.db2.gz OJDMYHCZZKTFAQ-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1cccc(NCCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000568900761 385105844 /nfs/dbraw/zinc/10/58/44/385105844.db2.gz DYBRRDSGQUVKNU-STQMWFEESA-N 1 3 248.374 1.661 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000647064697 385209796 /nfs/dbraw/zinc/20/97/96/385209796.db2.gz PVQKFNFGLDTZCN-YPMHNXCESA-N 1 3 249.358 1.320 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)CNCC2CC2)cc1 ZINC000178227503 385210793 /nfs/dbraw/zinc/21/07/93/385210793.db2.gz YNRPUPYDKHBIJD-JTQLQIEISA-N 1 3 247.342 1.644 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)OC ZINC000308994917 385336068 /nfs/dbraw/zinc/33/60/68/385336068.db2.gz PJACQVIQKMTLBD-IJLUTSLNSA-N 1 3 214.353 1.519 20 0 BDADHO C(C[NH2+][C@H]1CCSC1)CN1CCCC1 ZINC000020128942 385419362 /nfs/dbraw/zinc/41/93/62/385419362.db2.gz NQLDTFLDUZQIPB-NSHDSACASA-N 1 3 214.378 1.567 20 0 BDADHO C(CN[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000020128942 385419364 /nfs/dbraw/zinc/41/93/64/385419364.db2.gz NQLDTFLDUZQIPB-NSHDSACASA-N 1 3 214.378 1.567 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000156258643 385444992 /nfs/dbraw/zinc/44/49/92/385444992.db2.gz YYFYXFAXAUQNSB-IJLUTSLNSA-N 1 3 213.369 1.009 20 0 BDADHO CCOCCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405318845 385483362 /nfs/dbraw/zinc/48/33/62/385483362.db2.gz QHUCKOPRTRJETA-VHSXEESVSA-N 1 3 200.326 1.128 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)[C@H]1NCC1(C)C ZINC000644097039 385460711 /nfs/dbraw/zinc/46/07/11/385460711.db2.gz ZETFVIOHGNMYAH-GFCCVEGCSA-N 1 3 247.342 1.343 20 0 BDADHO CC[NH2+]CC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647503431 385501470 /nfs/dbraw/zinc/50/14/70/385501470.db2.gz YJSXEISCYHSNLL-UHFFFAOYSA-N 1 3 248.374 1.316 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)[C@H]1CCCO1 ZINC000183278301 385515406 /nfs/dbraw/zinc/51/54/06/385515406.db2.gz RJEBIOWCSMYDON-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183278301 385515411 /nfs/dbraw/zinc/51/54/11/385515411.db2.gz RJEBIOWCSMYDON-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@](C)(C[NH2+]CC1=CCN(C)CC1)OC ZINC000319067313 385545388 /nfs/dbraw/zinc/54/53/88/385545388.db2.gz PZHMTAIUABXCHF-CYBMUJFWSA-N 1 3 226.364 1.653 20 0 BDADHO CC(C)(N)C[NH+]1CCC(CCCO)CC1 ZINC000309300695 385522814 /nfs/dbraw/zinc/52/28/14/385522814.db2.gz TVRYRHZHGKNZML-UHFFFAOYSA-N 1 3 214.353 1.208 20 0 BDADHO CCOc1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000309422074 385576726 /nfs/dbraw/zinc/57/67/26/385576726.db2.gz YEHCMUPGCJDXBY-NSHDSACASA-N 1 3 222.332 1.770 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCCCCF)C1 ZINC000336681968 385640023 /nfs/dbraw/zinc/64/00/23/385640023.db2.gz HYFSCKLIHKJPIC-WDEREUQCSA-N 1 3 202.317 1.795 20 0 BDADHO CCOC[C@@H]1CCCN(CCC[NH2+]C)C1 ZINC000309515615 385653643 /nfs/dbraw/zinc/65/36/43/385653643.db2.gz RHYYVECOYAILHN-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO CNC[C@@H](C)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414853702 385684025 /nfs/dbraw/zinc/68/40/25/385684025.db2.gz STLFNVKEWKIVOD-VOMCLLRMSA-N 1 3 242.363 1.163 20 0 BDADHO CN(CCCCCO)C[C@@]1(C)CC[NH2+]C1 ZINC000336691934 385728244 /nfs/dbraw/zinc/72/82/44/385728244.db2.gz KVPIGWSDNAXDBR-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CC[C@H]1CC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336736033 385729314 /nfs/dbraw/zinc/72/93/14/385729314.db2.gz MENJENWJKGCHTC-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@H]1CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336736034 385730039 /nfs/dbraw/zinc/73/00/39/385730039.db2.gz MENJENWJKGCHTC-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](NCCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763907 385734770 /nfs/dbraw/zinc/73/47/70/385734770.db2.gz CEPUASABVJAJSO-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](NCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763907 385734772 /nfs/dbraw/zinc/73/47/72/385734772.db2.gz CEPUASABVJAJSO-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]([NH2+]CCO)[C@H]1CCCN(C2CCC2)C1 ZINC000185763907 385734777 /nfs/dbraw/zinc/73/47/77/385734777.db2.gz CEPUASABVJAJSO-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO CCN(CC)CCC[NH2+]C1(CO)CCCC1 ZINC000309615218 385743868 /nfs/dbraw/zinc/74/38/68/385743868.db2.gz CPWCJZLHIYDPGO-UHFFFAOYSA-N 1 3 228.380 1.613 20 0 BDADHO CC[NH+](CC)CCCNC1(CO)CCCC1 ZINC000309615218 385743871 /nfs/dbraw/zinc/74/38/71/385743871.db2.gz CPWCJZLHIYDPGO-UHFFFAOYSA-N 1 3 228.380 1.613 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309618122 385748862 /nfs/dbraw/zinc/74/88/62/385748862.db2.gz DKAAFKKSGSMBMQ-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309618122 385748864 /nfs/dbraw/zinc/74/88/64/385748864.db2.gz DKAAFKKSGSMBMQ-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+](C[C@H](O)CN1CCC2(CCC2)C1)C1CC1 ZINC000336705744 385787723 /nfs/dbraw/zinc/78/77/23/385787723.db2.gz LFNOZICKINWQFS-ZDUSSCGKSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+](C[C@H](O)CN1CCC2(CCC2)C1)C1CC1 ZINC000336705744 385787728 /nfs/dbraw/zinc/78/77/28/385787728.db2.gz LFNOZICKINWQFS-ZDUSSCGKSA-N 1 3 238.375 1.318 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414945408 385800098 /nfs/dbraw/zinc/80/00/98/385800098.db2.gz RLOWHUKRHRQPFP-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO CCCC[C@H](COC)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414945408 385800102 /nfs/dbraw/zinc/80/01/02/385800102.db2.gz RLOWHUKRHRQPFP-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccn(C)n1 ZINC000647799761 385802500 /nfs/dbraw/zinc/80/25/00/385802500.db2.gz QDFCBAAQPXBKOB-QNWHQSFQSA-N 1 3 248.374 1.459 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414949896 385814276 /nfs/dbraw/zinc/81/42/76/385814276.db2.gz NYUMJTYXCPLBNK-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414949896 385814279 /nfs/dbraw/zinc/81/42/79/385814279.db2.gz NYUMJTYXCPLBNK-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccccc1N(C)C ZINC000414874098 385884438 /nfs/dbraw/zinc/88/44/38/385884438.db2.gz IAIGNSQIPZIBRJ-NSHDSACASA-N 1 3 221.348 1.437 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000414963471 385897390 /nfs/dbraw/zinc/89/73/90/385897390.db2.gz XNEXHEDZXKEIPV-SYQHCUMBSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](C[NH3+])CNC/C=C/c1ccccc1 ZINC000414876260 385908720 /nfs/dbraw/zinc/90/87/20/385908720.db2.gz LCAZATUMTDCWLC-FZKGZDJFSA-N 1 3 204.317 1.884 20 0 BDADHO COC1(CN2CCC([NH3+])CC2)CCCC1 ZINC000308909591 385909170 /nfs/dbraw/zinc/90/91/70/385909170.db2.gz SDYVUAMXXIVBES-UHFFFAOYSA-N 1 3 212.337 1.369 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cnc(-c2ccccc2)[nH]1 ZINC000414877010 385917992 /nfs/dbraw/zinc/91/79/92/385917992.db2.gz MHYYKXITZFEZSY-NSHDSACASA-N 1 3 244.342 1.761 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035024 385923024 /nfs/dbraw/zinc/92/30/24/385923024.db2.gz RUKDZSVCYSNGJO-KGLIPLIRSA-N 1 3 232.327 1.686 20 0 BDADHO COCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647815197 385869317 /nfs/dbraw/zinc/86/93/17/385869317.db2.gz UBQPUHGJDGKJID-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCO1 ZINC000250840553 385928024 /nfs/dbraw/zinc/92/80/24/385928024.db2.gz LUNUTPOMGLQPCF-QWHCGFSZSA-N 1 3 226.364 1.759 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCO1 ZINC000250840553 385928033 /nfs/dbraw/zinc/92/80/33/385928033.db2.gz LUNUTPOMGLQPCF-QWHCGFSZSA-N 1 3 226.364 1.759 20 0 BDADHO [NH3+]CC[C@@H]1CCCCN1CC[C@H]1CCCO1 ZINC000250840553 385928037 /nfs/dbraw/zinc/92/80/37/385928037.db2.gz LUNUTPOMGLQPCF-QWHCGFSZSA-N 1 3 226.364 1.759 20 0 BDADHO COC[C@@H](NCCC[NH2+]C1CC1)C1CC1 ZINC000397389252 385882138 /nfs/dbraw/zinc/88/21/38/385882138.db2.gz XDEVYMZWOMMCQQ-GFCCVEGCSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000397389252 385882142 /nfs/dbraw/zinc/88/21/42/385882142.db2.gz XDEVYMZWOMMCQQ-GFCCVEGCSA-N 1 3 212.337 1.143 20 0 BDADHO Cc1c[nH]nc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414971934 385977357 /nfs/dbraw/zinc/97/73/57/385977357.db2.gz XBIOFYLLAAOJAC-NSHDSACASA-N 1 3 222.336 1.340 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000338355407 385977286 /nfs/dbraw/zinc/97/72/86/385977286.db2.gz JJHKGQBUTSPWPV-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000338355407 385977290 /nfs/dbraw/zinc/97/72/90/385977290.db2.gz JJHKGQBUTSPWPV-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOCC3CC3)C[C@@H]21 ZINC000342088600 385937137 /nfs/dbraw/zinc/93/71/37/385937137.db2.gz ADRCXNCNJJPVPY-HZSPNIEDSA-N 1 3 238.375 1.472 20 0 BDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NC1CC1 ZINC000335043752 385937193 /nfs/dbraw/zinc/93/71/93/385937193.db2.gz WVHUKJYJTQSQON-ZFWWWQNUSA-N 1 3 244.338 1.994 20 0 BDADHO CC1([NH3+])CCN(CCCCCF)CC1 ZINC000647924069 385939242 /nfs/dbraw/zinc/93/92/42/385939242.db2.gz BUHZIOHMMCNSEG-UHFFFAOYSA-N 1 3 202.317 1.939 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CNC1CCC(O)CC1 ZINC000335047015 385941623 /nfs/dbraw/zinc/94/16/23/385941623.db2.gz SITYDUFPUONDKE-BPCQOVAHSA-N 1 3 240.391 1.658 20 0 BDADHO CC[NH+](CC)CCCN1C[C@H](C)N(C)C[C@H]1C ZINC000338287806 385942430 /nfs/dbraw/zinc/94/24/30/385942430.db2.gz WBNAFGNUDADJCC-UONOGXRCSA-N 1 3 241.423 1.743 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(O)CCC1 ZINC000335051542 385949186 /nfs/dbraw/zinc/94/91/86/385949186.db2.gz QUTOIPRQYQWTPR-GHMZBOCLSA-N 1 3 212.337 1.151 20 0 BDADHO CCOC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336770750 386007123 /nfs/dbraw/zinc/00/71/23/386007123.db2.gz VWMKRYRGQGHEGA-LLVKDONJSA-N 1 3 212.337 1.263 20 0 BDADHO CCCC[C@H](COC)[NH2+]C[C@H](C)CN ZINC000414882813 386019623 /nfs/dbraw/zinc/01/96/23/386019623.db2.gz UORRVYCWGRXHIY-GHMZBOCLSA-N 1 3 202.342 1.376 20 0 BDADHO CC(C)(N)C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414979253 386043040 /nfs/dbraw/zinc/04/30/40/386043040.db2.gz NJBINCKMWGTDHW-UHFFFAOYSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)CC1CCOCC1 ZINC000414881587 385996666 /nfs/dbraw/zinc/99/66/66/385996666.db2.gz SKKWDXSQDYECMD-GHMZBOCLSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@H](NCC1CC[NH+](C2CC2)CC1)c1cn[nH]c1 ZINC000340519096 386114100 /nfs/dbraw/zinc/11/41/00/386114100.db2.gz UKJUKHLXADBTNE-NSHDSACASA-N 1 3 248.374 1.935 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCOCC1 ZINC000336728391 386070916 /nfs/dbraw/zinc/07/09/16/386070916.db2.gz CMZRNBJJPMQRMH-NWDGAFQWSA-N 1 3 228.380 1.589 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC1(CO)CC1 ZINC000190028386 386144625 /nfs/dbraw/zinc/14/46/25/386144625.db2.gz QAOBTHAPPRDLEH-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC1(CO)CC1 ZINC000190028386 386144632 /nfs/dbraw/zinc/14/46/32/386144632.db2.gz QAOBTHAPPRDLEH-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO COCC1(C[NH2+]CCCN2CCCC2)CCC1 ZINC000310214196 386164872 /nfs/dbraw/zinc/16/48/72/386164872.db2.gz FLPKOFXBBIVKSM-UHFFFAOYSA-N 1 3 240.391 1.879 20 0 BDADHO C[C@H](CCN)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414894401 386173654 /nfs/dbraw/zinc/17/36/54/386173654.db2.gz LHHLAPNTNBTBBU-GFCCVEGCSA-N 1 3 248.370 1.881 20 0 BDADHO NC1(C[NH2+]Cc2cccc3c[nH]nc32)CCC1 ZINC000414894508 386175493 /nfs/dbraw/zinc/17/54/93/386175493.db2.gz ZMXVGTJFSKCNBA-UHFFFAOYSA-N 1 3 230.315 1.534 20 0 BDADHO Cc1ccc(CCCNC[C@@H]([NH3+])C2CC2)cn1 ZINC000414895017 386184941 /nfs/dbraw/zinc/18/49/41/386184941.db2.gz VCBFVMYQUGBIKU-CQSZACIVSA-N 1 3 233.359 1.650 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@H+](CC)C(C)C ZINC000353581732 386189261 /nfs/dbraw/zinc/18/92/61/386189261.db2.gz NMUTWKAARANRJZ-CYBMUJFWSA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000353581732 386189266 /nfs/dbraw/zinc/18/92/66/386189266.db2.gz NMUTWKAARANRJZ-CYBMUJFWSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](N)C1 ZINC000346086182 386140786 /nfs/dbraw/zinc/14/07/86/386140786.db2.gz IFMYMCVVWLVKAR-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@H+]1CCC[C@H](N)C1 ZINC000346086182 386140791 /nfs/dbraw/zinc/14/07/91/386140791.db2.gz IFMYMCVVWLVKAR-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO [NH3+]CCCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000414704153 386214237 /nfs/dbraw/zinc/21/42/37/386214237.db2.gz JKJIFXOMVPDFIQ-OCCSQVGLSA-N 1 3 237.391 1.284 20 0 BDADHO COc1ccc(CCN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000131767559 386221720 /nfs/dbraw/zinc/22/17/20/386221720.db2.gz UYKCOJDKZSGIMB-TZMCWYRMSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000131767559 386221726 /nfs/dbraw/zinc/22/17/26/386221726.db2.gz UYKCOJDKZSGIMB-TZMCWYRMSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@@H](CN)C[C@H]2C)cc1 ZINC000131767559 386221730 /nfs/dbraw/zinc/22/17/30/386221730.db2.gz UYKCOJDKZSGIMB-TZMCWYRMSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CCN2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000131767962 386222839 /nfs/dbraw/zinc/22/28/39/386222839.db2.gz UYKCOJDKZSGIMB-OCCSQVGLSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000131767962 386222844 /nfs/dbraw/zinc/22/28/44/386222844.db2.gz UYKCOJDKZSGIMB-OCCSQVGLSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@H](CN)C[C@H]2C)cc1 ZINC000131767962 386222856 /nfs/dbraw/zinc/22/28/56/386222856.db2.gz UYKCOJDKZSGIMB-OCCSQVGLSA-N 1 3 248.370 1.907 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](CNC)C2)CCO1 ZINC000347096329 386247415 /nfs/dbraw/zinc/24/74/15/386247415.db2.gz HTCHKTQXHWMFOQ-MELADBBJSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](CNC)C2)CCO1 ZINC000347096329 386247422 /nfs/dbraw/zinc/24/74/22/386247422.db2.gz HTCHKTQXHWMFOQ-MELADBBJSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@@H](CN2CC[C@@H](C[NH2+]C)C2)CCO1 ZINC000347096329 386247427 /nfs/dbraw/zinc/24/74/27/386247427.db2.gz HTCHKTQXHWMFOQ-MELADBBJSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](CNC)C2)CCO1 ZINC000347096322 386247788 /nfs/dbraw/zinc/24/77/88/386247788.db2.gz HTCHKTQXHWMFOQ-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](CNC)C2)CCO1 ZINC000347096322 386247791 /nfs/dbraw/zinc/24/77/91/386247791.db2.gz HTCHKTQXHWMFOQ-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1C[C@H](CN2CC[C@@H](C[NH2+]C)C2)CCO1 ZINC000347096322 386247794 /nfs/dbraw/zinc/24/77/94/386247794.db2.gz HTCHKTQXHWMFOQ-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)N(C)C ZINC000353512492 386251862 /nfs/dbraw/zinc/25/18/62/386251862.db2.gz CXBKVGMKIJWWJR-AAVRWANBSA-N 1 3 239.407 1.399 20 0 BDADHO CCC1(C[NH2+][C@H]2CCCC[C@H]2CN)COC1 ZINC000393959541 386257332 /nfs/dbraw/zinc/25/73/32/386257332.db2.gz BESVJSFVJQOXSD-RYUDHWBXSA-N 1 3 226.364 1.520 20 0 BDADHO CC[C@H]1C[C@H](CN2CCC([NH2+]C)CC2)CCO1 ZINC000347140056 386258722 /nfs/dbraw/zinc/25/87/22/386258722.db2.gz WAJCXGKJWXBESZ-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H]1C[C@H](C[NH+]2CCC(NC)CC2)CCO1 ZINC000347140056 386258724 /nfs/dbraw/zinc/25/87/24/386258724.db2.gz WAJCXGKJWXBESZ-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CCN)[NH2+]C1Cc2ccccc2C1 ZINC000414900703 386285433 /nfs/dbraw/zinc/28/54/33/386285433.db2.gz WLWJFLCNCGFYDM-SNVBAGLBSA-N 1 3 204.317 1.481 20 0 BDADHO C[C@H](CC[NH3+])NC1Cc2ccccc2C1 ZINC000414900703 386285439 /nfs/dbraw/zinc/28/54/39/386285439.db2.gz WLWJFLCNCGFYDM-SNVBAGLBSA-N 1 3 204.317 1.481 20 0 BDADHO CCc1ccc([C@H]2CNCCN2CCC[NH3+])cc1 ZINC000414732905 386293103 /nfs/dbraw/zinc/29/31/03/386293103.db2.gz IYQZOMVDDYFXCH-OAHLLOKOSA-N 1 3 247.386 1.544 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000265022766 386296216 /nfs/dbraw/zinc/29/62/16/386296216.db2.gz STOSQHKYDZRGRS-ZDUSSCGKSA-N 1 3 233.359 1.508 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCc2ccccn2)C1 ZINC000265022766 386296220 /nfs/dbraw/zinc/29/62/20/386296220.db2.gz STOSQHKYDZRGRS-ZDUSSCGKSA-N 1 3 233.359 1.508 20 0 BDADHO Fc1cncc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415005674 386303700 /nfs/dbraw/zinc/30/37/00/386303700.db2.gz JKVWDSBENBQRCS-UONOGXRCSA-N 1 3 249.333 1.698 20 0 BDADHO CCCO[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884535 386267679 /nfs/dbraw/zinc/26/76/79/386267679.db2.gz BTAHZJXPLOCNPN-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000414746596 386347772 /nfs/dbraw/zinc/34/77/72/386347772.db2.gz SLFKVKJNSBQEQR-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000414746596 386347776 /nfs/dbraw/zinc/34/77/76/386347776.db2.gz SLFKVKJNSBQEQR-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)COCCN1CCC(C[NH+](C)C)CC1 ZINC000336699669 386386529 /nfs/dbraw/zinc/38/65/29/386386529.db2.gz YKZIOCWDACFNGD-UHFFFAOYSA-N 1 3 242.407 1.933 20 0 BDADHO C[C@@H](Cn1cccn1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414905089 386352786 /nfs/dbraw/zinc/35/27/86/386352786.db2.gz LDYPBXAAQLCJPO-STQMWFEESA-N 1 3 236.363 1.251 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905089 386352792 /nfs/dbraw/zinc/35/27/92/386352792.db2.gz LDYPBXAAQLCJPO-STQMWFEESA-N 1 3 236.363 1.251 20 0 BDADHO C[C@@H](C(=O)Nc1cccc(CN(C)C)c1)[C@H](C)[NH3+] ZINC000133949610 386381187 /nfs/dbraw/zinc/38/11/87/386381187.db2.gz ORMBNPHRGQLUEQ-MNOVXSKESA-N 1 3 249.358 1.670 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000133948975 386382890 /nfs/dbraw/zinc/38/28/90/386382890.db2.gz ORMBNPHRGQLUEQ-WDEREUQCSA-N 1 3 249.358 1.670 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)CCN)C2 ZINC000414903371 386333166 /nfs/dbraw/zinc/33/31/66/386333166.db2.gz ZNSJHZJWIXPIIA-AAEUAGOBSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)CCN)CC1CCOCC1 ZINC000414902981 386336382 /nfs/dbraw/zinc/33/63/82/386336382.db2.gz ZCPFBVKFSNVCKN-NEPJUHHUSA-N 1 3 228.380 1.766 20 0 BDADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000336681471 386337271 /nfs/dbraw/zinc/33/72/71/386337271.db2.gz CUVJOULHOQTYBU-UHFFFAOYSA-N 1 3 236.363 1.194 20 0 BDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000336718825 386441423 /nfs/dbraw/zinc/44/14/23/386441423.db2.gz XIGIDLCRUHVMAK-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCOC1 ZINC000336718825 386441427 /nfs/dbraw/zinc/44/14/27/386441427.db2.gz XIGIDLCRUHVMAK-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCNCC2)CCO1 ZINC000414907940 386388485 /nfs/dbraw/zinc/38/84/85/386388485.db2.gz CBSTZZAREYVBND-MJBXVCDLSA-N 1 3 240.391 1.922 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336700640 386402167 /nfs/dbraw/zinc/40/21/67/386402167.db2.gz KNJOMLOCDKGBTK-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336700640 386402170 /nfs/dbraw/zinc/40/21/70/386402170.db2.gz KNJOMLOCDKGBTK-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)Cn1cccn1 ZINC000093464852 386416401 /nfs/dbraw/zinc/41/64/01/386416401.db2.gz GOVOFHIXUSQHOE-FRRDWIJNSA-N 1 3 236.363 1.392 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)Cn1cccn1 ZINC000093464850 386416479 /nfs/dbraw/zinc/41/64/79/386416479.db2.gz GOVOFHIXUSQHOE-AGIUHOORSA-N 1 3 236.363 1.392 20 0 BDADHO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000347512057 386427291 /nfs/dbraw/zinc/42/72/91/386427291.db2.gz JEURODHWZFQDEC-ZDUSSCGKSA-N 1 3 247.342 1.003 20 0 BDADHO COC[C@H](CC(C)C)N[C@H](C)[C@H](C)[NH3+] ZINC000415013145 386495012 /nfs/dbraw/zinc/49/50/12/386495012.db2.gz KIXUXOWJIALDGE-AXFHLTTASA-N 1 3 202.342 1.373 20 0 BDADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@](C)(O)CNC ZINC000519609610 386505081 /nfs/dbraw/zinc/50/50/81/386505081.db2.gz WSQMMJLPVIXTRI-IJLUTSLNSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]1C[C@H]1C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415051623 386508275 /nfs/dbraw/zinc/50/82/75/386508275.db2.gz MHCCEMFSEUEZBO-CYUUQNCZSA-N 1 3 230.355 1.988 20 0 BDADHO C1CC1[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020005 386509065 /nfs/dbraw/zinc/50/90/65/386509065.db2.gz AOLSAFFQULOVMP-BNDIWNMDSA-N 1 3 206.333 1.373 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415028048 386515954 /nfs/dbraw/zinc/51/59/54/386515954.db2.gz BYBSCXHWPJXKLS-QWRGUYRKSA-N 1 3 235.331 1.313 20 0 BDADHO C[C@@H](CCC1CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000415029358 386516678 /nfs/dbraw/zinc/51/66/78/386516678.db2.gz AVCCEUWBIOPDPO-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO CCOc1cccc(CN[C@H](C)CCC[NH3+])n1 ZINC000415027368 386517328 /nfs/dbraw/zinc/51/73/28/386517328.db2.gz WNAUILATVVWTTB-LLVKDONJSA-N 1 3 237.347 1.697 20 0 BDADHO CC(C)C[C@H](C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415030195 386518617 /nfs/dbraw/zinc/51/86/17/386518617.db2.gz CFOKNZQYXQERHU-QWHCGFSZSA-N 1 3 228.380 1.637 20 0 BDADHO COc1cc(C)nc(CN[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415030720 386518796 /nfs/dbraw/zinc/51/87/96/386518796.db2.gz FYSGOMBXFJGSOP-VXGBXAGGSA-N 1 3 249.358 1.616 20 0 BDADHO C[C@@H](CCN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415042818 386530247 /nfs/dbraw/zinc/53/02/47/386530247.db2.gz SWBJRWJOIFHLFT-SPWCGHHHSA-N 1 3 230.355 1.988 20 0 BDADHO CCN(CC[C@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000094918438 386463448 /nfs/dbraw/zinc/46/34/48/386463448.db2.gz YYEBZOCJHYUWSS-CYBMUJFWSA-N 1 3 233.359 1.903 20 0 BDADHO Cc1ccccc1OCC[NH2+][C@@H]1CCCNC1 ZINC000415084347 386595927 /nfs/dbraw/zinc/59/59/27/386595927.db2.gz OVMFHKNSNVTWRK-CYBMUJFWSA-N 1 3 234.343 1.715 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000414790883 386536066 /nfs/dbraw/zinc/53/60/66/386536066.db2.gz AOYYUEJLCXEXPC-KBPBESRZSA-N 1 3 240.391 1.910 20 0 BDADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000414789951 386541679 /nfs/dbraw/zinc/54/16/79/386541679.db2.gz GBWHHOCIXUGOTL-LBPRGKRZSA-N 1 3 232.331 1.636 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+]CCCNC1CC1 ZINC000415064441 386543877 /nfs/dbraw/zinc/54/38/77/386543877.db2.gz CNWRFICZGNEGBQ-LBPRGKRZSA-N 1 3 240.391 1.923 20 0 BDADHO CCOC[C@@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415067428 386547896 /nfs/dbraw/zinc/54/78/96/386547896.db2.gz PDZCJKQCGOREBP-PWSUYJOCSA-N 1 3 214.353 1.519 20 0 BDADHO Cc1ccccc1OCC[NH2+][C@H]1CCCNC1 ZINC000415084348 386597540 /nfs/dbraw/zinc/59/75/40/386597540.db2.gz OVMFHKNSNVTWRK-ZDUSSCGKSA-N 1 3 234.343 1.715 20 0 BDADHO CCc1ccccc1[C@@H](N)CNCC(C)(C)[NH3+] ZINC000415073022 386560964 /nfs/dbraw/zinc/56/09/64/386560964.db2.gz YTTAWYJJJIELGE-ZDUSSCGKSA-N 1 3 235.375 1.576 20 0 BDADHO COC1CCC([NH2+]CCCNC2CC2)CC1 ZINC000415072905 386566452 /nfs/dbraw/zinc/56/64/52/386566452.db2.gz XHHGSEJJNZYQDZ-UHFFFAOYSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@]1(CNCCc2ccc(F)cc2)CC[NH2+]C1 ZINC000415075236 386569064 /nfs/dbraw/zinc/56/90/64/386569064.db2.gz BGWOLBRTNAWTNY-AWEZNQCLSA-N 1 3 236.334 1.957 20 0 BDADHO C[C@H](C[NH2+]Cc1ccccc1)CN(C)C ZINC000291785628 386623821 /nfs/dbraw/zinc/62/38/21/386623821.db2.gz VLPNPTUJGYZFKF-GFCCVEGCSA-N 1 3 206.333 1.974 20 0 BDADHO Cc1c[nH]nc1CNCCCC[NH+](C)C ZINC000336758831 386641244 /nfs/dbraw/zinc/64/12/44/386641244.db2.gz KATUICAONIQDQQ-UHFFFAOYSA-N 1 3 210.325 1.150 20 0 BDADHO CC[C@@H](COC)NCC([NH3+])(CC)CC ZINC000414812744 386642218 /nfs/dbraw/zinc/64/22/18/386642218.db2.gz RQSPWIFQHYCMNA-JTQLQIEISA-N 1 3 202.342 1.519 20 0 BDADHO CC[C@@H](COC)[NH2+]CC(N)(CC)CC ZINC000414812744 386642224 /nfs/dbraw/zinc/64/22/24/386642224.db2.gz RQSPWIFQHYCMNA-JTQLQIEISA-N 1 3 202.342 1.519 20 0 BDADHO CC(C)(N)C[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000415081896 386599801 /nfs/dbraw/zinc/59/98/01/386599801.db2.gz CQFKAWTYMITUGG-UHFFFAOYSA-N 1 3 245.330 1.094 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1CCO[C@H]1C ZINC000414801944 386602991 /nfs/dbraw/zinc/60/29/91/386602991.db2.gz AUIJRCMBYRZIAU-UWVGGRQHSA-N 1 3 200.326 1.271 20 0 BDADHO COc1cccc(C[C@@H](C)N[C@H](C[NH3+])C2CC2)n1 ZINC000414807130 386617647 /nfs/dbraw/zinc/61/76/47/386617647.db2.gz QWODWAPGKOOUKX-ZWNOBZJWSA-N 1 3 249.358 1.348 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@H](C)Cn1cccn1 ZINC000414807246 386618557 /nfs/dbraw/zinc/61/85/57/386618557.db2.gz CKDNNJVDXLCMQZ-NEPJUHHUSA-N 1 3 224.352 1.379 20 0 BDADHO CCCC[NH+]1CCC(NC(=O)C(C)(C)N)CC1 ZINC000040921217 386660506 /nfs/dbraw/zinc/66/05/06/386660506.db2.gz KFXBHLRRTCPEPR-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC[NH2+]CCNC1CCC2(CCOCC2)CC1 ZINC000414819737 386662639 /nfs/dbraw/zinc/66/26/39/386662639.db2.gz ATYKXWIHLAMAFR-UHFFFAOYSA-N 1 3 240.391 1.925 20 0 BDADHO C[NH+](C)CCCCNC(=O)C1(N)CCCCC1 ZINC000041679565 386673073 /nfs/dbraw/zinc/67/30/73/386673073.db2.gz VAHOIDLPPLLUSP-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H]1c2ccccc2CCN1CCOCC[NH3+] ZINC000357073509 386710713 /nfs/dbraw/zinc/71/07/13/386710713.db2.gz LWDHNKLEYVMJQP-LBPRGKRZSA-N 1 3 234.343 1.581 20 0 BDADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)[C@H]2CCO[C@@H]21 ZINC000414927329 386697617 /nfs/dbraw/zinc/69/76/17/386697617.db2.gz PAGSUEFCBCFNNR-CLPYTZEMSA-N 1 3 238.375 1.659 20 0 BDADHO c1cnn(CCN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357068145 386707049 /nfs/dbraw/zinc/70/70/49/386707049.db2.gz DIURBRNFXUNANS-AWEZNQCLSA-N 1 3 248.374 1.205 20 0 BDADHO Cn1nccc1C[NH2+][C@@H](CN)C1CCCCC1 ZINC000414830060 386707870 /nfs/dbraw/zinc/70/78/70/386707870.db2.gz ALGVHUCAJIWQNH-ZDUSSCGKSA-N 1 3 236.363 1.417 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H](COC)CC(C)C ZINC000414832192 386716919 /nfs/dbraw/zinc/71/69/19/386716919.db2.gz FBGKZDQGGLUPEO-NWDGAFQWSA-N 1 3 216.369 1.493 20 0 BDADHO c1cnn([C@@H]2CCCC[C@H]2[NH2+]C2CCNCC2)c1 ZINC000335541664 386722249 /nfs/dbraw/zinc/72/22/49/386722249.db2.gz DRHMKCWRGCAQIP-ZIAGYGMSSA-N 1 3 248.374 1.708 20 0 BDADHO c1cnn([C@@H]2CCCC[C@H]2NC2CC[NH2+]CC2)c1 ZINC000335541664 386722254 /nfs/dbraw/zinc/72/22/54/386722254.db2.gz DRHMKCWRGCAQIP-ZIAGYGMSSA-N 1 3 248.374 1.708 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H]1CCCSC1 ZINC000414840812 386752751 /nfs/dbraw/zinc/75/27/51/386752751.db2.gz NMNPIMOBNFTWSD-UWVGGRQHSA-N 1 3 202.367 1.327 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCCSC1 ZINC000414840812 386752755 /nfs/dbraw/zinc/75/27/55/386752755.db2.gz NMNPIMOBNFTWSD-UWVGGRQHSA-N 1 3 202.367 1.327 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417834254 386794282 /nfs/dbraw/zinc/79/42/82/386794282.db2.gz MRFYRHNFFYQUJY-NWDGAFQWSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)CN1CCCC1 ZINC000192485068 386773996 /nfs/dbraw/zinc/77/39/96/386773996.db2.gz OEQSFOGLELNCJZ-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH+]1CCC2(CC1)CN(CC1(C)CC1)CCO2 ZINC000648071973 386786930 /nfs/dbraw/zinc/78/69/30/386786930.db2.gz DWSQQHAHVKLJJU-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000398387939 386819075 /nfs/dbraw/zinc/81/90/75/386819075.db2.gz PRONCKDEUFUWFF-UPJWGTAASA-N 1 3 228.380 1.645 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000398540967 386840729 /nfs/dbraw/zinc/84/07/29/386840729.db2.gz GWEITBAOOJHTQX-TUAOUCFPSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@H]1OCC[C@@H]1[NH2+]CC1(N)CCCCCC1 ZINC000334835858 386876354 /nfs/dbraw/zinc/87/63/54/386876354.db2.gz BIMKXCBROKKOOR-NEPJUHHUSA-N 1 3 226.364 1.805 20 0 BDADHO CN1CCC([NH2+]C[C@H]2NCCCC2(C)C)CC1 ZINC000334865300 386921804 /nfs/dbraw/zinc/92/18/04/386921804.db2.gz SAAWGVYRUVGGQG-CYBMUJFWSA-N 1 3 239.407 1.448 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCCCO2)CC1 ZINC000335774928 386924197 /nfs/dbraw/zinc/92/41/97/386924197.db2.gz YPDDULWIRHSRQU-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000335774928 386924202 /nfs/dbraw/zinc/92/42/02/386924202.db2.gz YPDDULWIRHSRQU-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCc2cccnc2)C1 ZINC000161708872 386928167 /nfs/dbraw/zinc/92/81/67/386928167.db2.gz JVPXDOPBNYMPKD-AAEUAGOBSA-N 1 3 219.332 1.293 20 0 BDADHO CC1(C)CCC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000334874441 386934497 /nfs/dbraw/zinc/93/44/97/386934497.db2.gz MJSIMJRSBRFZDX-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CCC(NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000334873992 386935546 /nfs/dbraw/zinc/93/55/46/386935546.db2.gz MINWVGIUSHPSDK-ZDUSSCGKSA-N 1 3 240.391 1.923 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417886015 386935925 /nfs/dbraw/zinc/93/59/25/386935925.db2.gz VKNLISGVEGAXJN-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417886015 386935928 /nfs/dbraw/zinc/93/59/28/386935928.db2.gz VKNLISGVEGAXJN-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1OCC[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000334819886 386948389 /nfs/dbraw/zinc/94/83/89/386948389.db2.gz WBDMEWYOGMTBIK-MNOVXSKESA-N 1 3 212.337 1.415 20 0 BDADHO CC[C@H](NCCCC[NH+](C)C)c1nccn1C ZINC000341703148 386952259 /nfs/dbraw/zinc/95/22/59/386952259.db2.gz CFLWGHWBVPQGKT-LBPRGKRZSA-N 1 3 238.379 1.803 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000359034002 387046557 /nfs/dbraw/zinc/04/65/57/387046557.db2.gz HQXKSUSEKWSSAB-BFHYXJOUSA-N 1 3 241.423 1.789 20 0 BDADHO Cc1ccc([C@@]2(C)CC[N@H+](CCN)C2)cc1 ZINC000334967982 387050960 /nfs/dbraw/zinc/05/09/60/387050960.db2.gz LYRLLEQIPOKDIN-AWEZNQCLSA-N 1 3 218.344 1.917 20 0 BDADHO Cc1ccc([C@@]2(C)CC[N@@H+](CCN)C2)cc1 ZINC000334967982 387050964 /nfs/dbraw/zinc/05/09/64/387050964.db2.gz LYRLLEQIPOKDIN-AWEZNQCLSA-N 1 3 218.344 1.917 20 0 BDADHO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000514602427 387010294 /nfs/dbraw/zinc/01/02/94/387010294.db2.gz OAQMMSOJXAYMPY-NSHDSACASA-N 1 3 249.358 1.167 20 0 BDADHO C[C@H](N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227062 387022793 /nfs/dbraw/zinc/02/27/93/387022793.db2.gz BDAJQBUNTZFQHP-TUAOUCFPSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H](N[C@@H]1CCc2[nH]cnc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227062 387022798 /nfs/dbraw/zinc/02/27/98/387022798.db2.gz BDAJQBUNTZFQHP-TUAOUCFPSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCCN1 ZINC000333227062 387022803 /nfs/dbraw/zinc/02/28/03/387022803.db2.gz BDAJQBUNTZFQHP-TUAOUCFPSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)c1ccccc1N(C)C ZINC000423298699 387130239 /nfs/dbraw/zinc/13/02/39/387130239.db2.gz ASTXXURFQRTMJO-VXGBXAGGSA-N 1 3 235.375 1.998 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127379121 387116888 /nfs/dbraw/zinc/11/68/88/387116888.db2.gz ADOUCQHLODLELW-QWHCGFSZSA-N 1 3 232.327 1.636 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127378401 387116977 /nfs/dbraw/zinc/11/69/77/387116977.db2.gz ADOUCQHLODLELW-OLZOCXBDSA-N 1 3 232.327 1.636 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NC[C@H]([NH3+])C2CC2)C1(C)C ZINC000423313318 387151822 /nfs/dbraw/zinc/15/18/22/387151822.db2.gz FLZCVFVXQQKQTM-RWMBFGLXSA-N 1 3 240.391 1.905 20 0 BDADHO Cc1n[nH]cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336327797 387154280 /nfs/dbraw/zinc/15/42/80/387154280.db2.gz IBKHXWSEVKUDON-AWEZNQCLSA-N 1 3 248.374 1.682 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1N[C@H](C)C[NH3+] ZINC000423320483 387161605 /nfs/dbraw/zinc/16/16/05/387161605.db2.gz GQJAVDVKHNEHAQ-OUAUKWLOSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)CO[C@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423320427 387162260 /nfs/dbraw/zinc/16/22/60/387162260.db2.gz GKGVJPKEKJRYKH-WOPDTQHZSA-N 1 3 228.380 1.763 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423323583 387166947 /nfs/dbraw/zinc/16/69/47/387166947.db2.gz JUEMYVUTQZZUES-UTLUCORTSA-N 1 3 200.326 1.127 20 0 BDADHO CC(C)[C@H](Cn1cccn1)NCC1([NH3+])CCC1 ZINC000423325110 387167722 /nfs/dbraw/zinc/16/77/22/387167722.db2.gz KUSZTNOBJQAQJT-LBPRGKRZSA-N 1 3 236.363 1.379 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H](C)C[NH3+])C12CCCC2 ZINC000423327532 387170235 /nfs/dbraw/zinc/17/02/35/387170235.db2.gz NJLTZGNLRMHOSQ-UTUOFQBUSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](O)[C@H](C)NC1CC([NH+]2CCCCC2)C1 ZINC000571790790 387171319 /nfs/dbraw/zinc/17/13/19/387171319.db2.gz AFLYRCADHBTTCL-ZSVAQUKISA-N 1 3 226.364 1.362 20 0 BDADHO C[N@H+](CCCO)C1CCN(C2CCCC2)CC1 ZINC000120098533 387174507 /nfs/dbraw/zinc/17/45/07/387174507.db2.gz KTTJVQZTDGWGNU-UHFFFAOYSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@@H+](CCCO)C1CCN(C2CCCC2)CC1 ZINC000120098533 387174513 /nfs/dbraw/zinc/17/45/13/387174513.db2.gz KTTJVQZTDGWGNU-UHFFFAOYSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H](CCc1ccccc1)[NH2+]CC1CNC1 ZINC000423305313 387139651 /nfs/dbraw/zinc/13/96/51/387139651.db2.gz QNTUMLUZXYSAJL-LBPRGKRZSA-N 1 3 218.344 1.817 20 0 BDADHO C[C@@H](CCc1ccccc1)NCC1C[NH2+]C1 ZINC000423305313 387139657 /nfs/dbraw/zinc/13/96/57/387139657.db2.gz QNTUMLUZXYSAJL-LBPRGKRZSA-N 1 3 218.344 1.817 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000300397053 387203514 /nfs/dbraw/zinc/20/35/14/387203514.db2.gz SJMXUIZQXVHHDM-YNEHKIRRSA-N 1 3 228.380 1.501 20 0 BDADHO CO[C@H](C)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000336379559 387209659 /nfs/dbraw/zinc/20/96/59/387209659.db2.gz ULASZLQHLOSEJB-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@H](C)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000336379559 387209665 /nfs/dbraw/zinc/20/96/65/387209665.db2.gz ULASZLQHLOSEJB-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423360344 387213305 /nfs/dbraw/zinc/21/33/05/387213305.db2.gz FIRJNQHPFAOAFF-GXFFZTMASA-N 1 3 236.384 1.954 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423360995 387213522 /nfs/dbraw/zinc/21/35/22/387213522.db2.gz GKGVJPKEKJRYKH-QJPTWQEYSA-N 1 3 228.380 1.763 20 0 BDADHO C[C@H](O)CNCc1ccccc1C[NH+]1CCCC1 ZINC000571994864 387217114 /nfs/dbraw/zinc/21/71/14/387217114.db2.gz ZSQCXDIVXCUYFV-ZDUSSCGKSA-N 1 3 248.370 1.753 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(C)C ZINC000423403576 387241062 /nfs/dbraw/zinc/24/10/62/387241062.db2.gz YOZMGIPTIBMQMM-UTUOFQBUSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000423403576 387241066 /nfs/dbraw/zinc/24/10/66/387241066.db2.gz YOZMGIPTIBMQMM-UTUOFQBUSA-N 1 3 214.353 1.388 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@](C)(N)CCC ZINC000353646842 387248968 /nfs/dbraw/zinc/24/89/68/387248968.db2.gz ZPXJOVFETNMQRC-CYBMUJFWSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@](C)(N)CCC ZINC000353646842 387248970 /nfs/dbraw/zinc/24/89/70/387248970.db2.gz ZPXJOVFETNMQRC-CYBMUJFWSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@]12C[C@H]1CCC[C@@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423462037 387310264 /nfs/dbraw/zinc/31/02/64/387310264.db2.gz UZRBVRJDTRJIPB-NLMKBYRWSA-N 1 3 206.333 1.373 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000423382813 387264277 /nfs/dbraw/zinc/26/42/77/387264277.db2.gz PDTOFDBIQURVPR-ZDEQEGDKSA-N 1 3 225.380 1.057 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1cccs1 ZINC000643498332 387272124 /nfs/dbraw/zinc/27/21/24/387272124.db2.gz YIMSCZFQFFRJTD-JTQLQIEISA-N 1 3 212.362 1.878 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H]1CCCO1 ZINC000423391156 387276804 /nfs/dbraw/zinc/27/68/04/387276804.db2.gz PKSPOKCJBYXZNT-IAQYHMDHSA-N 1 3 246.354 1.947 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643498514 387278262 /nfs/dbraw/zinc/27/82/62/387278262.db2.gz OOFWDNXELQFKDK-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO C1CCC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@H]12 ZINC000423433057 387284209 /nfs/dbraw/zinc/28/42/09/387284209.db2.gz MUOKWVPKTHUGLV-UYYXNEDZSA-N 1 3 248.370 1.142 20 0 BDADHO Cc1cnccc1C[NH2+]C1CC(N(C)C)C1 ZINC000514739490 387284471 /nfs/dbraw/zinc/28/44/71/387284471.db2.gz QYLZOGIZNFHINW-UHFFFAOYSA-N 1 3 219.332 1.572 20 0 BDADHO C1CCC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@@H]12 ZINC000423433058 387284885 /nfs/dbraw/zinc/28/48/85/387284885.db2.gz MUOKWVPKTHUGLV-WCQYUDONSA-N 1 3 248.370 1.142 20 0 BDADHO CC[C@H](NCCC1=CC[NH2+]CC1)c1nccn1C ZINC000423537140 387363871 /nfs/dbraw/zinc/36/38/71/387363871.db2.gz JHXLBCQBMPJMNA-ZDUSSCGKSA-N 1 3 248.374 1.771 20 0 BDADHO CC[C@@H](NC[C@@H]([NH3+])CC)C1(C(=O)OC)CCC1 ZINC000423481938 387364283 /nfs/dbraw/zinc/36/42/83/387364283.db2.gz XAHKGKWOSZCDIH-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000336541441 387364300 /nfs/dbraw/zinc/36/43/00/387364300.db2.gz HCMLPOLJESQZFG-YPMHNXCESA-N 1 3 245.370 1.824 20 0 BDADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423545900 387370007 /nfs/dbraw/zinc/37/00/07/387370007.db2.gz FBDJXRCPCQDNRX-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1Cc2ccccc21 ZINC000643453508 387370149 /nfs/dbraw/zinc/37/01/49/387370149.db2.gz IWYBRKNWPRUGLL-MRVWCRGKSA-N 1 3 216.328 1.796 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)C1CNC1 ZINC000423554006 387372391 /nfs/dbraw/zinc/37/23/91/387372391.db2.gz RFFWEWZPDIETAS-PWSUYJOCSA-N 1 3 240.416 1.717 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@@H](F)C1 ZINC000515384204 387374020 /nfs/dbraw/zinc/37/40/20/387374020.db2.gz DHFQLKQCEMYUOP-KKOKHZNYSA-N 1 3 214.328 1.855 20 0 BDADHO Cc1cc(CN[C@H](C)C[C@@H](C)[NH3+])cc(C)n1 ZINC000423559683 387374533 /nfs/dbraw/zinc/37/45/33/387374533.db2.gz UCJHGDASLXFSNH-NXEZZACHSA-N 1 3 221.348 1.914 20 0 BDADHO C[C@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000423571994 387380320 /nfs/dbraw/zinc/38/03/20/387380320.db2.gz YAQQMXBUPYFJRJ-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462905 387321505 /nfs/dbraw/zinc/32/15/05/387321505.db2.gz YFGKGOTXMRPPDA-BNOWGMLFSA-N 1 3 237.391 1.201 20 0 BDADHO C(N[C@H]1CC[C@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492243 387335804 /nfs/dbraw/zinc/33/58/04/387335804.db2.gz MHHOKGKKKMUIKT-RDBSUJKOSA-N 1 3 238.375 1.533 20 0 BDADHO CCN1C[C@H](C)[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000423501189 387339860 /nfs/dbraw/zinc/33/98/60/387339860.db2.gz AYZMSWIPAUKMOR-REWJHTLYSA-N 1 3 239.407 1.243 20 0 BDADHO CCN1C[C@H](C)[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000423501189 387339865 /nfs/dbraw/zinc/33/98/65/387339865.db2.gz AYZMSWIPAUKMOR-REWJHTLYSA-N 1 3 239.407 1.243 20 0 BDADHO CCN1C[C@@H](C)[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000423501187 387340284 /nfs/dbraw/zinc/34/02/84/387340284.db2.gz AYZMSWIPAUKMOR-AAVRWANBSA-N 1 3 239.407 1.243 20 0 BDADHO CCN1C[C@@H](C)[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000423501187 387340286 /nfs/dbraw/zinc/34/02/86/387340286.db2.gz AYZMSWIPAUKMOR-AAVRWANBSA-N 1 3 239.407 1.243 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000643500765 387346199 /nfs/dbraw/zinc/34/61/99/387346199.db2.gz CCJWWBDROXJGQS-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513361 387348095 /nfs/dbraw/zinc/34/80/95/387348095.db2.gz RHPWVOZPFVXPCS-NHCYSSNCSA-N 1 3 237.322 1.999 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000423516159 387350801 /nfs/dbraw/zinc/35/08/01/387350801.db2.gz NMRARJOHXAKMSW-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](N)CCC ZINC000423779588 387423938 /nfs/dbraw/zinc/42/39/38/387423938.db2.gz VMOGWENROUFHHN-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](N)CCC ZINC000423779588 387423941 /nfs/dbraw/zinc/42/39/41/387423941.db2.gz VMOGWENROUFHHN-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO C[NH2+]CCC(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000423792820 387428164 /nfs/dbraw/zinc/42/81/64/387428164.db2.gz WBSCXMYGZUBURX-UHFFFAOYSA-N 1 3 249.358 1.605 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)N(C)CCN(C)C1CC1 ZINC000423857583 387437620 /nfs/dbraw/zinc/43/76/20/387437620.db2.gz ZWLZFFAXNKTMQO-CYBMUJFWSA-N 1 3 241.379 1.057 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC1CC1 ZINC000374423761 387452946 /nfs/dbraw/zinc/45/29/46/387452946.db2.gz XOHXCENTOHZEIR-MCIONIFRSA-N 1 3 238.375 1.580 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC1CC1 ZINC000374423760 387452966 /nfs/dbraw/zinc/45/29/66/387452966.db2.gz XOHXCENTOHZEIR-HZSPNIEDSA-N 1 3 238.375 1.580 20 0 BDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000423777457 387422395 /nfs/dbraw/zinc/42/23/95/387422395.db2.gz RJZYONYBBGUMRA-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000423777457 387422399 /nfs/dbraw/zinc/42/23/99/387422399.db2.gz RJZYONYBBGUMRA-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000643475313 387509264 /nfs/dbraw/zinc/50/92/64/387509264.db2.gz FPIPXKSMTGBPLQ-XQHKEYJVSA-N 1 3 226.364 1.661 20 0 BDADHO C([NH2+][C@H]1CCCNCC1)[C@H]1CCCS1 ZINC000160693024 387526403 /nfs/dbraw/zinc/52/64/03/387526403.db2.gz DAJVAQUDHXIMGQ-WDEREUQCSA-N 1 3 214.378 1.614 20 0 BDADHO C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCS1 ZINC000160693024 387526406 /nfs/dbraw/zinc/52/64/06/387526406.db2.gz DAJVAQUDHXIMGQ-WDEREUQCSA-N 1 3 214.378 1.614 20 0 BDADHO [NH3+]CC1(O)CCN(C/C=C/c2ccccc2)CC1 ZINC000397062109 387536043 /nfs/dbraw/zinc/53/60/43/387536043.db2.gz QVKOYQCOZNKDGD-QPJJXVBHSA-N 1 3 246.354 1.485 20 0 BDADHO CC[C@@H](C(=O)NC(C)(C)CC[NH3+])N(CC)CC ZINC000424048297 387470358 /nfs/dbraw/zinc/47/03/58/387470358.db2.gz QNSBWXMOQBLIGR-NSHDSACASA-N 1 3 243.395 1.350 20 0 BDADHO CC(C)[NH+]1CCC(O)(CNCC2(F)CC2)CC1 ZINC000527230233 387541944 /nfs/dbraw/zinc/54/19/44/387541944.db2.gz KTTPSOGAMJUSJA-UHFFFAOYSA-N 1 3 244.354 1.313 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470999 387477327 /nfs/dbraw/zinc/47/73/27/387477327.db2.gz GXMKXSXESSLCGA-NDBYEHHHSA-N 1 3 226.364 1.255 20 0 BDADHO CO[C@H]1CCC[C@H](NCC[NH2+]C2CC2)C1 ZINC000643507649 387478999 /nfs/dbraw/zinc/47/89/99/387478999.db2.gz LOKOKGHYACVENW-RYUDHWBXSA-N 1 3 212.337 1.286 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000395838601 387479435 /nfs/dbraw/zinc/47/94/35/387479435.db2.gz MHIFUFDTMUXGID-RYUDHWBXSA-N 1 3 226.364 1.256 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]CCCNC(C)C)C1 ZINC000643508407 387490255 /nfs/dbraw/zinc/49/02/55/387490255.db2.gz DPZSSGDZILCUJY-STQMWFEESA-N 1 3 228.380 1.922 20 0 BDADHO CO[C@H]1CCC[C@H](NCCC[NH2+]C(C)C)C1 ZINC000643508407 387490260 /nfs/dbraw/zinc/49/02/60/387490260.db2.gz DPZSSGDZILCUJY-STQMWFEESA-N 1 3 228.380 1.922 20 0 BDADHO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000422561075 387601762 /nfs/dbraw/zinc/60/17/62/387601762.db2.gz IVZHOGMHWBPNQJ-QNWJLWSRSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@H]1C[C@H]1C[N@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000422561075 387601768 /nfs/dbraw/zinc/60/17/68/387601768.db2.gz IVZHOGMHWBPNQJ-QNWJLWSRSA-N 1 3 210.365 1.948 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCCCO1 ZINC000422704425 387621309 /nfs/dbraw/zinc/62/13/09/387621309.db2.gz PQJMJQYOUIWWDM-JHJVBQTASA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCCO1 ZINC000422704505 387621747 /nfs/dbraw/zinc/62/17/47/387621747.db2.gz PVBHIDUWDFQWQR-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000422704505 387621749 /nfs/dbraw/zinc/62/17/49/387621749.db2.gz PVBHIDUWDFQWQR-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO [NH3+]CC1CCC(NCc2nccs2)CC1 ZINC000422709740 387623232 /nfs/dbraw/zinc/62/32/32/387623232.db2.gz DVZGEBFXOMMVHG-UHFFFAOYSA-N 1 3 225.361 1.750 20 0 BDADHO COCC(C)(C)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000426356530 387558102 /nfs/dbraw/zinc/55/81/02/387558102.db2.gz KXMVTLKCJHWJOW-LBPRGKRZSA-N 1 3 228.380 1.543 20 0 BDADHO CC[C@H](N)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000036871244 387558446 /nfs/dbraw/zinc/55/84/46/387558446.db2.gz RLWUQXMGIZWQBP-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO CC(C)C[C@@H](CN(C)C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422717125 387629996 /nfs/dbraw/zinc/62/99/96/387629996.db2.gz OGVDQHSTVGMRHD-IHRRRGAJSA-N 1 3 241.423 1.693 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422718875 387630459 /nfs/dbraw/zinc/63/04/59/387630459.db2.gz XXYKPVOMYWLDFR-IJLUTSLNSA-N 1 3 214.353 1.253 20 0 BDADHO CCCCNC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000430579912 387631838 /nfs/dbraw/zinc/63/18/38/387631838.db2.gz GUUPOIWNIJDZHX-CYBMUJFWSA-N 1 3 243.395 1.256 20 0 BDADHO Cc1ccc2nc(CN[C@@H](C)CCC[NH3+])cn2c1 ZINC000422719928 387633609 /nfs/dbraw/zinc/63/36/09/387633609.db2.gz RQKAVJJLUWIZLO-LBPRGKRZSA-N 1 3 246.358 1.860 20 0 BDADHO CCCCOCCC[NH2+][C@H](C)C[C@H](C)N ZINC000422729547 387638550 /nfs/dbraw/zinc/63/85/50/387638550.db2.gz KWRQGXLSRQXWND-NWDGAFQWSA-N 1 3 216.369 1.909 20 0 BDADHO CCC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422733324 387641337 /nfs/dbraw/zinc/64/13/37/387641337.db2.gz QTNFXOUZOAEKOK-SECBINFHSA-N 1 3 207.321 1.909 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCCOc1ccccc1 ZINC000422795827 387695049 /nfs/dbraw/zinc/69/50/49/387695049.db2.gz WSWHMWLPJMVAJB-KBPBESRZSA-N 1 3 234.343 1.925 20 0 BDADHO CNCc1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000422741471 387649312 /nfs/dbraw/zinc/64/93/12/387649312.db2.gz OJICJVMOWBTFCH-UHFFFAOYSA-N 1 3 247.342 1.474 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(CO)c1 ZINC000422747807 387650202 /nfs/dbraw/zinc/65/02/02/387650202.db2.gz ZLPLMWVSFKFEHA-SWLSCSKDSA-N 1 3 248.370 1.657 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000643518644 387651411 /nfs/dbraw/zinc/65/14/11/387651411.db2.gz HISGWUXGOIUMIX-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422750591 387655259 /nfs/dbraw/zinc/65/52/59/387655259.db2.gz DIWHNVIBZCRFSC-JHJVBQTASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C1CNC1 ZINC000422754426 387657515 /nfs/dbraw/zinc/65/75/15/387657515.db2.gz GZEKVJHDPAOWCL-VXGBXAGGSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H](NC[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000422754426 387657519 /nfs/dbraw/zinc/65/75/19/387657519.db2.gz GZEKVJHDPAOWCL-VXGBXAGGSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCC[NH3+] ZINC000430898963 387659009 /nfs/dbraw/zinc/65/90/09/387659009.db2.gz YDJSJHMHSKWIRL-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCN(C)Cc1ccccc1 ZINC000422756563 387660757 /nfs/dbraw/zinc/66/07/57/387660757.db2.gz JASJJMUORMQZBC-ZIAGYGMSSA-N 1 3 249.402 1.834 20 0 BDADHO CSC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422761648 387663538 /nfs/dbraw/zinc/66/35/38/387663538.db2.gz RJBWHZXJRHAWSI-GKDVJIACSA-N 1 3 214.378 1.611 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400757581 387667951 /nfs/dbraw/zinc/66/79/51/387667951.db2.gz XLQNYODLPBOUSB-XQQFMLRXSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)COCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422794556 387695841 /nfs/dbraw/zinc/69/58/41/387695841.db2.gz ZAGZBUAGEQAHRZ-STQMWFEESA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H]([NH3+])CC(=O)N(CCN(C)C)c1ccccc1 ZINC000431050440 387673160 /nfs/dbraw/zinc/67/31/60/387673160.db2.gz UKQGUOKJHLANKL-GFCCVEGCSA-N 1 3 249.358 1.319 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000126258275 387676773 /nfs/dbraw/zinc/67/67/73/387676773.db2.gz PFBIVGJFELRKNE-QWHCGFSZSA-N 1 3 236.363 1.380 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@H]1CCOC1 ZINC000422779132 387677855 /nfs/dbraw/zinc/67/78/55/387677855.db2.gz BNARPHNPRRZJLX-MQYQWHSLSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cnn(C)c1 ZINC000044498871 387682254 /nfs/dbraw/zinc/68/22/54/387682254.db2.gz ZFJQGQFWLIBPAU-RYUDHWBXSA-N 1 3 248.374 1.555 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2N)CCN1C ZINC000422784076 387682609 /nfs/dbraw/zinc/68/26/09/387682609.db2.gz PFYHGSQHOQRGNX-SYQHCUMBSA-N 1 3 239.407 1.719 20 0 BDADHO CC[C@@H](NC1CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422792049 387692197 /nfs/dbraw/zinc/69/21/97/387692197.db2.gz WTMFODDFHIRDJU-OLZOCXBDSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861060 387743320 /nfs/dbraw/zinc/74/33/20/387743320.db2.gz IWPSFOKHDXQSHP-MNXVOIDGSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@H](NCCN1CCCC[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862093 387743453 /nfs/dbraw/zinc/74/34/53/387743453.db2.gz NJVMRFHSXYPWOY-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO CC1CCN(CCN[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422859472 387744173 /nfs/dbraw/zinc/74/41/73/387744173.db2.gz KCVGQXBRQCYPEF-KGLIPLIRSA-N 1 3 239.407 1.306 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000643526026 387756245 /nfs/dbraw/zinc/75/62/45/387756245.db2.gz NYDDPDBFCYJZRD-MROQNXINSA-N 1 3 226.364 1.674 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000422861527 387745442 /nfs/dbraw/zinc/74/54/42/387745442.db2.gz OIYBONWSBPBFDO-IACUBPJLSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCCNCC1 ZINC000422899162 387748770 /nfs/dbraw/zinc/74/87/70/387748770.db2.gz GVSNLMOBLCZDRF-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H](CN[C@H](C)C1C[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000422869794 387750147 /nfs/dbraw/zinc/75/01/47/387750147.db2.gz YATXJORIZGMFBL-JHJVBQTASA-N 1 3 239.407 1.304 20 0 BDADHO CC[C@@H](Cc1ccccc1)NC[C@@H](C)[NH3+] ZINC000643525674 387752203 /nfs/dbraw/zinc/75/22/03/387752203.db2.gz AAHUQFDSSJVUCH-YPMHNXCESA-N 1 3 206.333 1.945 20 0 BDADHO CC(=O)Nc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422802600 387701725 /nfs/dbraw/zinc/70/17/25/387701725.db2.gz HOWPJGSCFUAYEA-QWRGUYRKSA-N 1 3 249.358 1.860 20 0 BDADHO C[C@H](N[C@H]1CCCC[C@H]1n1cccn1)C1C[NH2+]C1 ZINC000422805106 387703353 /nfs/dbraw/zinc/70/33/53/387703353.db2.gz GGMNNLXWUVJLDL-FPMFFAJLSA-N 1 3 248.374 1.564 20 0 BDADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)C1CNC1 ZINC000422805106 387703358 /nfs/dbraw/zinc/70/33/58/387703358.db2.gz GGMNNLXWUVJLDL-FPMFFAJLSA-N 1 3 248.374 1.564 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422804890 387703438 /nfs/dbraw/zinc/70/34/38/387703438.db2.gz IFEDIEVIJCCXLO-MJBXVCDLSA-N 1 3 242.407 1.748 20 0 BDADHO C[C@H](Cc1cccs1)N[C@H](C)C1C[NH2+]C1 ZINC000422808268 387707461 /nfs/dbraw/zinc/70/74/61/387707461.db2.gz OCZZRJWYVPAPLL-NXEZZACHSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@H](Cc1cccs1)[NH2+][C@H](C)C1CNC1 ZINC000422808268 387707465 /nfs/dbraw/zinc/70/74/65/387707465.db2.gz OCZZRJWYVPAPLL-NXEZZACHSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCN1CCCCC1 ZINC000422808651 387707889 /nfs/dbraw/zinc/70/78/89/387707889.db2.gz LHKGKYXMFHNENW-QWHCGFSZSA-N 1 3 225.380 1.060 20 0 BDADHO CO[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422810017 387709346 /nfs/dbraw/zinc/70/93/46/387709346.db2.gz QTNHNMJYESRHNX-FRRDWIJNSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@H](C)C[C@H](C)N ZINC000422813626 387710746 /nfs/dbraw/zinc/71/07/46/387710746.db2.gz YHCPUBMYVBPSNS-XQQFMLRXSA-N 1 3 230.396 1.747 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCN(C)c1ccccc1 ZINC000422814773 387713561 /nfs/dbraw/zinc/71/35/61/387713561.db2.gz WBBIPPGBKFVHAV-CHWSQXEVSA-N 1 3 235.375 1.838 20 0 BDADHO CC[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816309 387714273 /nfs/dbraw/zinc/71/42/73/387714273.db2.gz ZLQZQZPMFRMQSN-IACUBPJLSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCOCC1 ZINC000422816309 387714278 /nfs/dbraw/zinc/71/42/78/387714278.db2.gz ZLQZQZPMFRMQSN-IACUBPJLSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1cn2ccccc2n1 ZINC000422820446 387716906 /nfs/dbraw/zinc/71/69/06/387716906.db2.gz QPZBZAAGISSCET-NWDGAFQWSA-N 1 3 246.358 1.592 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCc1cn2ccccc2n1 ZINC000422820446 387716914 /nfs/dbraw/zinc/71/69/14/387716914.db2.gz QPZBZAAGISSCET-NWDGAFQWSA-N 1 3 246.358 1.592 20 0 BDADHO CC(C)C[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N(C)C ZINC000422821652 387718295 /nfs/dbraw/zinc/71/82/95/387718295.db2.gz XRFIBLPGOHNZBG-RDBSUJKOSA-N 1 3 241.423 1.693 20 0 BDADHO C[C@H]([NH2+]CCCOC1CCCC1)C1CNC1 ZINC000422822938 387720900 /nfs/dbraw/zinc/72/09/00/387720900.db2.gz BZLMWCKNTUBKNX-NSHDSACASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NCCCOC1CCCC1)C1C[NH2+]C1 ZINC000422822938 387720902 /nfs/dbraw/zinc/72/09/02/387720902.db2.gz BZLMWCKNTUBKNX-NSHDSACASA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422876214 387755533 /nfs/dbraw/zinc/75/55/33/387755533.db2.gz FHHXSCIQAKZTKP-OLZOCXBDSA-N 1 3 227.396 1.576 20 0 BDADHO C[C@@H](CN1CCCCC1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422836696 387729828 /nfs/dbraw/zinc/72/98/28/387729828.db2.gz RSVWBQZQMZQGIB-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000643524230 387737043 /nfs/dbraw/zinc/73/70/43/387737043.db2.gz XBFLSVBUTRCPKP-FVCCEPFGSA-N 1 3 226.364 1.804 20 0 BDADHO Cc1cccc(CCN[C@H](C)C2C[NH2+]C2)c1 ZINC000422852984 387737770 /nfs/dbraw/zinc/73/77/70/387737770.db2.gz YMYYUAZDRAKLPV-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1cccc(CC[NH2+][C@H](C)C2CNC2)c1 ZINC000422852984 387737778 /nfs/dbraw/zinc/73/77/78/387737778.db2.gz YMYYUAZDRAKLPV-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851724 387739049 /nfs/dbraw/zinc/73/90/49/387739049.db2.gz FVBVFBWYTGCGIB-JHJVBQTASA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858613 387741541 /nfs/dbraw/zinc/74/15/41/387741541.db2.gz GPZVDXRVTLXRIV-SYCZCVCYSA-N 1 3 249.402 1.484 20 0 BDADHO C[C@@H](N[C@H](C)C1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422892045 387762379 /nfs/dbraw/zinc/76/23/79/387762379.db2.gz LWASCNCEWQBUGW-WZRBSPASSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@H](C)C1CCOCC1)[C@@H]1CCCN1 ZINC000422892045 387762383 /nfs/dbraw/zinc/76/23/83/387762383.db2.gz LWASCNCEWQBUGW-WZRBSPASSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000643527929 387762468 /nfs/dbraw/zinc/76/24/68/387762468.db2.gz VRVRVUVNEUDXDE-ZWNOBZJWSA-N 1 3 219.332 1.860 20 0 BDADHO [NH3+]CC1CCC(NCc2ccc(F)cn2)CC1 ZINC000422896096 387765501 /nfs/dbraw/zinc/76/55/01/387765501.db2.gz XJPPGKJUKGDTTL-UHFFFAOYSA-N 1 3 237.322 1.828 20 0 BDADHO CCC[C@H](C(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000422895051 387766351 /nfs/dbraw/zinc/76/63/51/387766351.db2.gz VDALUNRNKOBUKT-LLVKDONJSA-N 1 3 243.395 1.160 20 0 BDADHO CCC1(CC)[C@H](NC[C@@H](C)[NH3+])C[C@@H]1OC ZINC000643527510 387766513 /nfs/dbraw/zinc/76/65/13/387766513.db2.gz NTPHGAGCTSAXLZ-MXWKQRLJSA-N 1 3 214.353 1.517 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422909694 387769569 /nfs/dbraw/zinc/76/95/69/387769569.db2.gz OSZGGGJHECWEGY-MCIONIFRSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CNC1 ZINC000422911455 387770661 /nfs/dbraw/zinc/77/06/61/387770661.db2.gz SVSGLPZRIYXOGB-YPMHNXCESA-N 1 3 230.355 1.914 20 0 BDADHO C[C@@H](NC[C@@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911455 387770664 /nfs/dbraw/zinc/77/06/64/387770664.db2.gz SVSGLPZRIYXOGB-YPMHNXCESA-N 1 3 230.355 1.914 20 0 BDADHO CC[C@H](NC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422900102 387784986 /nfs/dbraw/zinc/78/49/86/387784986.db2.gz PWHYNRVNCSDRPS-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCC1(CCO)CCC1 ZINC000422993098 387799309 /nfs/dbraw/zinc/79/93/09/387799309.db2.gz SIMBTVVBGMRRGL-NWDGAFQWSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422990969 387799893 /nfs/dbraw/zinc/79/98/93/387799893.db2.gz OVOHPDPJBYVIAW-NDBYEHHHSA-N 1 3 225.380 1.044 20 0 BDADHO C[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)C1CNC1 ZINC000422991349 387800911 /nfs/dbraw/zinc/80/09/11/387800911.db2.gz PKSRSMBXXVCDTE-SCRDCRAPSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(C)CCCC1 ZINC000422951891 387806642 /nfs/dbraw/zinc/80/66/42/387806642.db2.gz AQOQOUBPVPMZGV-YNEHKIRRSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000423002628 387807492 /nfs/dbraw/zinc/80/74/92/387807492.db2.gz GHZITGUZFMRKTN-NEPJUHHUSA-N 1 3 228.380 1.373 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]C2CCNCC2)c1 ZINC000422954269 387810087 /nfs/dbraw/zinc/81/00/87/387810087.db2.gz HTQIUACJZCDTKK-GFCCVEGCSA-N 1 3 248.370 1.968 20 0 BDADHO COc1cccc(C[C@@H](C)NC2CC[NH2+]CC2)c1 ZINC000422954269 387810092 /nfs/dbraw/zinc/81/00/92/387810092.db2.gz HTQIUACJZCDTKK-GFCCVEGCSA-N 1 3 248.370 1.968 20 0 BDADHO CC[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)N1CCCC1 ZINC000422961232 387811366 /nfs/dbraw/zinc/81/13/66/387811366.db2.gz BEEJXBVQOQOPTQ-MJBXVCDLSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H](NCCc1cccc(F)c1F)C1C[NH2+]C1 ZINC000422961245 387811574 /nfs/dbraw/zinc/81/15/74/387811574.db2.gz YTCZWDQJRLLCSU-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO C[C@@H]([NH2+]CCc1cccc(F)c1F)C1CNC1 ZINC000422961245 387811582 /nfs/dbraw/zinc/81/15/82/387811582.db2.gz YTCZWDQJRLLCSU-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO C[C@H](N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880920 387758231 /nfs/dbraw/zinc/75/82/31/387758231.db2.gz XUEMCGTWQYRBRU-XWUBHJNHSA-N 1 3 237.391 1.199 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422974568 387822785 /nfs/dbraw/zinc/82/27/85/387822785.db2.gz FJPQQSRCVKVCGJ-FRRDWIJNSA-N 1 3 228.380 1.371 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795368 387823152 /nfs/dbraw/zinc/82/31/52/387823152.db2.gz WLPRXZIGDZLZMW-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000432795368 387823156 /nfs/dbraw/zinc/82/31/56/387823156.db2.gz WLPRXZIGDZLZMW-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423003208 387825931 /nfs/dbraw/zinc/82/59/31/387825931.db2.gz LBNSGFVCELLGCS-UPJWGTAASA-N 1 3 242.407 1.747 20 0 BDADHO C[C@@H](Cc1ccoc1)NC1CC[NH2+]CC1 ZINC000423004778 387825954 /nfs/dbraw/zinc/82/59/54/387825954.db2.gz KSCGBHAVNFCVLH-JTQLQIEISA-N 1 3 208.305 1.552 20 0 BDADHO C[C@@H](Cc1ccoc1)[NH2+]C1CCNCC1 ZINC000423004778 387825956 /nfs/dbraw/zinc/82/59/56/387825956.db2.gz KSCGBHAVNFCVLH-JTQLQIEISA-N 1 3 208.305 1.552 20 0 BDADHO c1ccc([C@@H]2C[C@@H](N[C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003225 387827237 /nfs/dbraw/zinc/82/72/37/387827237.db2.gz LCIOSKFRADALRD-ZNMIVQPWSA-N 1 3 246.354 1.858 20 0 BDADHO CCOCCC1(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000423005784 387827965 /nfs/dbraw/zinc/82/79/65/387827965.db2.gz STLHZIDUAAQMNU-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccncc1 ZINC000423007153 387829770 /nfs/dbraw/zinc/82/97/70/387829770.db2.gz QAENYUXSQPBXEA-KBPBESRZSA-N 1 3 233.359 1.874 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCCC(C)(C)CO ZINC000423006085 387830128 /nfs/dbraw/zinc/83/01/28/387830128.db2.gz NXUVPZJUWLEPAO-WDEREUQCSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCN(C)c1ccccc1 ZINC000442765893 387834287 /nfs/dbraw/zinc/83/42/87/387834287.db2.gz KATQLMUJOFGHAI-KGLIPLIRSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765893 387834293 /nfs/dbraw/zinc/83/42/93/387834293.db2.gz KATQLMUJOFGHAI-KGLIPLIRSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCN(C)c1ccccc1 ZINC000442765893 387834296 /nfs/dbraw/zinc/83/42/96/387834296.db2.gz KATQLMUJOFGHAI-KGLIPLIRSA-N 1 3 247.386 1.792 20 0 BDADHO CC[C@H](NC[C@@H]1CCC[C@@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012875 387835263 /nfs/dbraw/zinc/83/52/63/387835263.db2.gz DWKSGXCJXDHVCK-XUXIUFHCSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCCN1 ZINC000423012875 387835270 /nfs/dbraw/zinc/83/52/70/387835270.db2.gz DWKSGXCJXDHVCK-XUXIUFHCSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C2CNC2)C1(C)C ZINC000423016693 387840808 /nfs/dbraw/zinc/84/08/08/387840808.db2.gz NEOXOUWVCBWLHA-PKZYVASSSA-N 1 3 226.364 1.243 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H](N[C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016693 387840813 /nfs/dbraw/zinc/84/08/13/387840813.db2.gz NEOXOUWVCBWLHA-PKZYVASSSA-N 1 3 226.364 1.243 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCCS1 ZINC000423028580 387846960 /nfs/dbraw/zinc/84/69/60/387846960.db2.gz GUDBKGBICJHFHC-GMTAPVOTSA-N 1 3 214.378 1.742 20 0 BDADHO CCC(CC)(CN[C@@H](C)C1C[NH2+]C1)C(=O)OC ZINC000423034876 387851258 /nfs/dbraw/zinc/85/12/58/387851258.db2.gz IRJWAGMBGJPJJI-JTQLQIEISA-N 1 3 242.363 1.163 20 0 BDADHO CCC(CC)(C[NH2+][C@@H](C)C1CNC1)C(=O)OC ZINC000423034876 387851263 /nfs/dbraw/zinc/85/12/63/387851263.db2.gz IRJWAGMBGJPJJI-JTQLQIEISA-N 1 3 242.363 1.163 20 0 BDADHO CC1=CCN(CC[NH2+][C@@H]2CCC[C@@H]2N)CC1 ZINC000423039146 387852783 /nfs/dbraw/zinc/85/27/83/387852783.db2.gz PXZPMTDXTHEKLU-QWHCGFSZSA-N 1 3 223.364 1.108 20 0 BDADHO CC1=CCN(CCN[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000423039146 387852786 /nfs/dbraw/zinc/85/27/86/387852786.db2.gz PXZPMTDXTHEKLU-QWHCGFSZSA-N 1 3 223.364 1.108 20 0 BDADHO CC1=CCN(CCN[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423038785 387852863 /nfs/dbraw/zinc/85/28/63/387852863.db2.gz PBBBXXDNXYUSAK-UONOGXRCSA-N 1 3 237.391 1.355 20 0 BDADHO CC1=CCN(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000423038785 387852864 /nfs/dbraw/zinc/85/28/64/387852864.db2.gz PBBBXXDNXYUSAK-UONOGXRCSA-N 1 3 237.391 1.355 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423038993 387853466 /nfs/dbraw/zinc/85/34/66/387853466.db2.gz ZOWPVBHBJRPPGV-NWDGAFQWSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(CO)CCC1 ZINC000423038993 387853469 /nfs/dbraw/zinc/85/34/69/387853469.db2.gz ZOWPVBHBJRPPGV-NWDGAFQWSA-N 1 3 226.364 1.127 20 0 BDADHO CCC(CC)(CN[C@H]1CCC[C@H]1[NH3+])C(=O)OC ZINC000423038464 387853943 /nfs/dbraw/zinc/85/39/43/387853943.db2.gz OKBJYIHGIQMTBF-MNOVXSKESA-N 1 3 242.363 1.435 20 0 BDADHO CC1=CCN(CCN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039275 387854072 /nfs/dbraw/zinc/85/40/72/387854072.db2.gz QAKLMLZJFXKBAP-QWHCGFSZSA-N 1 3 225.380 1.354 20 0 BDADHO C[C@@H](NC1(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000423047507 387857086 /nfs/dbraw/zinc/85/70/86/387857086.db2.gz GJCRQQNFIRLMQV-GFCCVEGCSA-N 1 3 230.355 1.959 20 0 BDADHO C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)C1CNC1 ZINC000423047507 387857090 /nfs/dbraw/zinc/85/70/90/387857090.db2.gz GJCRQQNFIRLMQV-GFCCVEGCSA-N 1 3 230.355 1.959 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H](CO)c1ccsc1 ZINC000423049340 387858434 /nfs/dbraw/zinc/85/84/34/387858434.db2.gz JPLZYNZXBLYZEP-ZYHUDNBSSA-N 1 3 242.388 1.889 20 0 BDADHO CC[C@@H](CO)N[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423058256 387865976 /nfs/dbraw/zinc/86/59/76/387865976.db2.gz JBXBRAWXSMFJCA-FPMFFAJLSA-N 1 3 236.359 1.305 20 0 BDADHO CCOC[C@H](N[C@H](C)C1C[NH2+]C1)C(C)C ZINC000423074063 387874705 /nfs/dbraw/zinc/87/47/05/387874705.db2.gz TVGSSFQMPUAVRL-PWSUYJOCSA-N 1 3 214.353 1.245 20 0 BDADHO CCOC[C@H]([NH2+][C@H](C)C1CNC1)C(C)C ZINC000423074063 387874708 /nfs/dbraw/zinc/87/47/08/387874708.db2.gz TVGSSFQMPUAVRL-PWSUYJOCSA-N 1 3 214.353 1.245 20 0 BDADHO CC(C)[C@H]([NH2+][C@H](C)C[C@@H](C)N)C(C)(C)O ZINC000423068267 387869412 /nfs/dbraw/zinc/86/94/12/387869412.db2.gz BIZMPDLJWWTZGG-MXWKQRLJSA-N 1 3 216.369 1.497 20 0 BDADHO CCC(O)(CC)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423065210 387870692 /nfs/dbraw/zinc/87/06/92/387870692.db2.gz BBPXBPYSDRJTRM-QWRGUYRKSA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537040 387871505 /nfs/dbraw/zinc/87/15/05/387871505.db2.gz YISXSUGZUCESOL-DGCLKSJQSA-N 1 3 248.374 1.603 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106963 387890473 /nfs/dbraw/zinc/89/04/73/387890473.db2.gz KCLPLUZRKUMGRI-JXUBOQSCSA-N 1 3 218.291 1.890 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106662 387891893 /nfs/dbraw/zinc/89/18/93/387891893.db2.gz KCLPLUZRKUMGRI-JLIMGVALSA-N 1 3 218.291 1.890 20 0 BDADHO C[C@H](NC[C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109695 387893048 /nfs/dbraw/zinc/89/30/48/387893048.db2.gz NZXIYQRIBCLMJB-VOAKCMCISA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCCN1 ZINC000423109695 387893051 /nfs/dbraw/zinc/89/30/51/387893051.db2.gz NZXIYQRIBCLMJB-VOAKCMCISA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CCNC2)C[C@H](C)O1 ZINC000423115402 387895295 /nfs/dbraw/zinc/89/52/95/387895295.db2.gz NFURSSCDWSGQBT-YVECIDJPSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCOC(F)F ZINC000423116744 387897638 /nfs/dbraw/zinc/89/76/38/387897638.db2.gz RKGNTIDYANVYNA-NXEZZACHSA-N 1 3 236.306 1.593 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000423115968 387897797 /nfs/dbraw/zinc/89/77/97/387897797.db2.gz ZHBDJRLKFDUFQD-AATLWQCWSA-N 1 3 202.367 1.453 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CSC[C@@H]1C ZINC000423115968 387897803 /nfs/dbraw/zinc/89/78/03/387897803.db2.gz ZHBDJRLKFDUFQD-AATLWQCWSA-N 1 3 202.367 1.453 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000643460308 387875592 /nfs/dbraw/zinc/87/55/92/387875592.db2.gz NTWAJUGFYFXDST-WOPDTQHZSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](C)c1ccncc1 ZINC000643460308 387875596 /nfs/dbraw/zinc/87/55/96/387875596.db2.gz NTWAJUGFYFXDST-WOPDTQHZSA-N 1 3 221.348 1.901 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCC2CC(O)C2)c2ccccc21 ZINC000423078416 387875998 /nfs/dbraw/zinc/87/59/98/387875998.db2.gz VZZPAAKLNQNSRF-FWFPMQDGSA-N 1 3 246.354 1.882 20 0 BDADHO CN1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H]1N ZINC000423085867 387880165 /nfs/dbraw/zinc/88/01/65/387880165.db2.gz LRQXJGFSGHBOSB-AVGNSLFASA-N 1 3 239.407 1.576 20 0 BDADHO CC(C)SCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423099763 387886901 /nfs/dbraw/zinc/88/69/01/387886901.db2.gz AYRKPPJCROVKPF-GRYCIOLGSA-N 1 3 246.420 1.470 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423099071 387888041 /nfs/dbraw/zinc/88/80/41/387888041.db2.gz AFSNDRDZKDGFSE-SFYZADRCSA-N 1 3 222.254 1.798 20 0 BDADHO C[C@@H](NCCC1(F)CCC1)C1C[NH2+]C1 ZINC000423101177 387888731 /nfs/dbraw/zinc/88/87/31/387888731.db2.gz COYZKPUMCLWPKJ-SECBINFHSA-N 1 3 200.301 1.466 20 0 BDADHO C[C@@H]([NH2+]CCC1(F)CCC1)C1CNC1 ZINC000423101177 387888737 /nfs/dbraw/zinc/88/87/37/387888737.db2.gz COYZKPUMCLWPKJ-SECBINFHSA-N 1 3 200.301 1.466 20 0 BDADHO Cc1cccc2c1OC[C@H]([NH2+][C@@H]1CCC[C@@H]1N)C2 ZINC000423140342 387917961 /nfs/dbraw/zinc/91/79/61/387917961.db2.gz MNMYBLFSAITFJY-HZSPNIEDSA-N 1 3 246.354 1.768 20 0 BDADHO COCC1(CN[C@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423116276 387899460 /nfs/dbraw/zinc/89/94/60/387899460.db2.gz PDEMUCTZDQAMAN-NEPJUHHUSA-N 1 3 226.364 1.391 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc21 ZINC000423121190 387901691 /nfs/dbraw/zinc/90/16/91/387901691.db2.gz IEICQZGLEVJCFJ-OBJOEFQTSA-N 1 3 246.354 1.880 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1COc2ccccc21 ZINC000423121190 387901693 /nfs/dbraw/zinc/90/16/93/387901693.db2.gz IEICQZGLEVJCFJ-OBJOEFQTSA-N 1 3 246.354 1.880 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423123700 387902059 /nfs/dbraw/zinc/90/20/59/387902059.db2.gz LQJXPXDUDNZSKH-WDEREUQCSA-N 1 3 214.328 1.986 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H](C)C1CNC1 ZINC000423125439 387902574 /nfs/dbraw/zinc/90/25/74/387902574.db2.gz QKUJQIACXUYPFS-SNVBAGLBSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CNC1 ZINC000423129136 387907087 /nfs/dbraw/zinc/90/70/87/387907087.db2.gz DTPXBQISVBQRLM-WHOFXGATSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@H](NC[C@@H]1C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423129136 387907092 /nfs/dbraw/zinc/90/70/92/387907092.db2.gz DTPXBQISVBQRLM-WHOFXGATSA-N 1 3 230.355 1.988 20 0 BDADHO CC(C)C[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019429213 387909736 /nfs/dbraw/zinc/90/97/36/387909736.db2.gz XAGHWALOSPFSNU-LLVKDONJSA-N 1 3 243.395 1.064 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCC[C@@H]2CN)CCC1 ZINC000423135616 387913234 /nfs/dbraw/zinc/91/32/34/387913234.db2.gz OBJGBPXBAGJQAM-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423137088 387914503 /nfs/dbraw/zinc/91/45/03/387914503.db2.gz HORJWNLCRXOVCG-MBYGNEARSA-N 1 3 212.337 1.284 20 0 BDADHO COc1ncccc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000423142077 387917548 /nfs/dbraw/zinc/91/75/48/387917548.db2.gz TXFBXJKSOHMGBE-CYBMUJFWSA-N 1 3 249.358 1.364 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151253 387930285 /nfs/dbraw/zinc/93/02/85/387930285.db2.gz CEZKPZRAOFFUHZ-VOAKCMCISA-N 1 3 226.364 1.255 20 0 BDADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423155573 387934279 /nfs/dbraw/zinc/93/42/79/387934279.db2.gz QTZDOKQXMJJOIF-OBPIAQAESA-N 1 3 226.364 1.374 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423154843 387934359 /nfs/dbraw/zinc/93/43/59/387934359.db2.gz KDEIHARKUHFWGZ-WHOHXGKFSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCC[C@H]1O ZINC000423154843 387934363 /nfs/dbraw/zinc/93/43/63/387934363.db2.gz KDEIHARKUHFWGZ-WHOHXGKFSA-N 1 3 214.353 1.253 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(CO)CCC1 ZINC000643480605 387936022 /nfs/dbraw/zinc/93/60/22/387936022.db2.gz FMTMABVEGOUUDD-VXGBXAGGSA-N 1 3 226.364 1.399 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000424219406 387936575 /nfs/dbraw/zinc/93/65/75/387936575.db2.gz ALHYROMEDSTVIS-LBPRGKRZSA-N 1 3 235.331 1.376 20 0 BDADHO CCC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423142695 387920723 /nfs/dbraw/zinc/92/07/23/387920723.db2.gz BFMPDWANDRQTTK-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)OC ZINC000423142695 387920728 /nfs/dbraw/zinc/92/07/28/387920728.db2.gz BFMPDWANDRQTTK-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO Cc1cccnc1CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423151321 387928976 /nfs/dbraw/zinc/92/89/76/387928976.db2.gz JUXFHOYPGMTSTR-KBPBESRZSA-N 1 3 247.386 1.910 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2cncn2c1 ZINC000423167895 387953347 /nfs/dbraw/zinc/95/33/47/387953347.db2.gz FZOKAXLTRYAAGE-GHMZBOCLSA-N 1 3 232.331 1.550 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1C[C@@H](O)C1 ZINC000423161639 387943320 /nfs/dbraw/zinc/94/33/20/387943320.db2.gz JLYBHDWGDOQXEB-ZDEQEGDKSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H](NCCC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423163044 387945510 /nfs/dbraw/zinc/94/55/10/387945510.db2.gz QJWCYJUMVYYGKB-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](NCCC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423162843 387946272 /nfs/dbraw/zinc/94/62/72/387946272.db2.gz QJWCYJUMVYYGKB-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164099 387946379 /nfs/dbraw/zinc/94/63/79/387946379.db2.gz NVRVUVRGFYGISZ-WUHRBBMRSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000423165723 387947861 /nfs/dbraw/zinc/94/78/61/387947861.db2.gz QEVVMHUCPSCKPZ-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)C1CCC1 ZINC000423165723 387947865 /nfs/dbraw/zinc/94/78/65/387947865.db2.gz QEVVMHUCPSCKPZ-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1COCC1(C)C ZINC000423165771 387948789 /nfs/dbraw/zinc/94/87/89/387948789.db2.gz UVKIQGBMDJXDRF-IVZWLZJFSA-N 1 3 200.326 1.127 20 0 BDADHO COC[C@@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000245449877 387949819 /nfs/dbraw/zinc/94/98/19/387949819.db2.gz OCPOSKNVEZFTKM-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000245449877 387949823 /nfs/dbraw/zinc/94/98/23/387949823.db2.gz OCPOSKNVEZFTKM-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCSCCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424298579 387958687 /nfs/dbraw/zinc/95/86/87/387958687.db2.gz DOOADACLWZAOFG-NXEZZACHSA-N 1 3 202.367 1.599 20 0 BDADHO COC1CCC([NH2+][C@H](C)[C@@H]2CCCN2)CC1 ZINC000423172869 387959545 /nfs/dbraw/zinc/95/95/45/387959545.db2.gz VTTYYAPBDITQMH-XVSSEFHLSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](CCC[NH3+])[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000423172748 387959613 /nfs/dbraw/zinc/95/96/13/387959613.db2.gz UZBWAODQTBXXEJ-SECBINFHSA-N 1 3 239.367 1.319 20 0 BDADHO C[C@H](CCC[NH3+])NCc1nnc(C(C)(C)C)[nH]1 ZINC000423172748 387959615 /nfs/dbraw/zinc/95/96/15/387959615.db2.gz UZBWAODQTBXXEJ-SECBINFHSA-N 1 3 239.367 1.319 20 0 BDADHO COC1CCC([NH2+][C@H](C)[C@H]2CCCN2)CC1 ZINC000423172867 387960156 /nfs/dbraw/zinc/96/01/56/387960156.db2.gz VTTYYAPBDITQMH-IKWCTNDRSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176491 387961468 /nfs/dbraw/zinc/96/14/68/387961468.db2.gz GCQWOMJNJXVTCQ-HTOAHKCRSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176496 387961482 /nfs/dbraw/zinc/96/14/82/387961482.db2.gz GCQWOMJNJXVTCQ-RKQHYHRCSA-N 1 3 240.391 1.920 20 0 BDADHO NCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000423180062 387965933 /nfs/dbraw/zinc/96/59/33/387965933.db2.gz DWPXDGJDTGWBLQ-QWRGUYRKSA-N 1 3 202.317 1.843 20 0 BDADHO C[C@@H]1[C@H](NCC[NH3+])C[C@H]1c1ccccc1 ZINC000423192053 387978501 /nfs/dbraw/zinc/97/85/01/387978501.db2.gz VFGUMCRBKHZFRK-CYZMBNFOSA-N 1 3 204.317 1.727 20 0 BDADHO CC(C)[C@@H](COCc1ccccc1)NCC[NH3+] ZINC000423194678 387979544 /nfs/dbraw/zinc/97/95/44/387979544.db2.gz YETWNMFIKAAUCV-CQSZACIVSA-N 1 3 236.359 1.776 20 0 BDADHO CC(C)[C@@H](NCCC[NH3+])c1cccnc1 ZINC000423195462 387980209 /nfs/dbraw/zinc/98/02/09/387980209.db2.gz SPDVGLGCVJXYQR-GFCCVEGCSA-N 1 3 207.321 1.717 20 0 BDADHO C[C@@H](CCc1n[nH]c2ccccc12)NCC[NH3+] ZINC000423191995 387975330 /nfs/dbraw/zinc/97/53/30/387975330.db2.gz UYTVYIZGVAYQTH-JTQLQIEISA-N 1 3 232.331 1.432 20 0 BDADHO C[C@@H]1[C@H](NCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423192056 387978047 /nfs/dbraw/zinc/97/80/47/387978047.db2.gz VFGUMCRBKHZFRK-WCFLWFBJSA-N 1 3 204.317 1.727 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424362579 387989631 /nfs/dbraw/zinc/98/96/31/387989631.db2.gz AHOXXLLPBYZEDP-YNEHKIRRSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])CS1 ZINC000423196149 387981957 /nfs/dbraw/zinc/98/19/57/387981957.db2.gz ZBNCHCXPMSAESG-XFWSIPNHSA-N 1 3 200.351 1.350 20 0 BDADHO CCC1(CC)[C@H](NCCC[NH2+]C)C[C@@H]1OC ZINC000423198721 387984168 /nfs/dbraw/zinc/98/41/68/387984168.db2.gz HLVRTQJADOUUAV-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000423215781 387997449 /nfs/dbraw/zinc/99/74/49/387997449.db2.gz OVPFNSUURLNVGT-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO CCN1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000424373579 387997605 /nfs/dbraw/zinc/99/76/05/387997605.db2.gz JTFSDXAQQHUTNC-LPWJVIDDSA-N 1 3 225.380 1.186 20 0 BDADHO FCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000423215132 387997912 /nfs/dbraw/zinc/99/79/12/387997912.db2.gz NLKILTPBWONLSC-QJPTWQEYSA-N 1 3 214.328 1.856 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)CN1C1CC1 ZINC000424371333 387996313 /nfs/dbraw/zinc/99/63/13/387996313.db2.gz FUPJNEBRRXIZKG-CDGCEXEKSA-N 1 3 237.391 1.471 20 0 BDADHO C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CN1C1CC1 ZINC000424371333 387996315 /nfs/dbraw/zinc/99/63/15/387996315.db2.gz FUPJNEBRRXIZKG-CDGCEXEKSA-N 1 3 237.391 1.471 20 0 BDADHO C[C@H](N)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423227566 388012122 /nfs/dbraw/zinc/01/21/22/388012122.db2.gz WFOWKAMUCQZZTI-QNWHQSFQSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423227565 388012208 /nfs/dbraw/zinc/01/22/08/388012208.db2.gz WFOWKAMUCQZZTI-LOWDOPEQSA-N 1 3 238.375 1.661 20 0 BDADHO COCC[C@@H]1CCC[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423230870 388015259 /nfs/dbraw/zinc/01/52/59/388015259.db2.gz FMLLWODLBMXIGT-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCN1 ZINC000423230870 388015265 /nfs/dbraw/zinc/01/52/65/388015265.db2.gz FMLLWODLBMXIGT-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423256374 388036816 /nfs/dbraw/zinc/03/68/16/388036816.db2.gz BSTYDMJZMWZXGF-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO CC[NH2+]CCNC1CCC(COC)CC1 ZINC000423244042 388028435 /nfs/dbraw/zinc/02/84/35/388028435.db2.gz XCIOTYONAXKBKB-UHFFFAOYSA-N 1 3 214.353 1.391 20 0 BDADHO COc1ccc(C[C@@H](C)N[C@@H](C[NH3+])C2CC2)cn1 ZINC000423273472 388053024 /nfs/dbraw/zinc/05/30/24/388053024.db2.gz IZJPGDUTGCOKBS-MFKMUULPSA-N 1 3 249.358 1.348 20 0 BDADHO COc1ccc(C[C@@H](C)N[C@H](C[NH3+])C2CC2)cn1 ZINC000423273473 388053932 /nfs/dbraw/zinc/05/39/32/388053932.db2.gz IZJPGDUTGCOKBS-ZWNOBZJWSA-N 1 3 249.358 1.348 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423274332 388054689 /nfs/dbraw/zinc/05/46/89/388054689.db2.gz LZDJEPAWLZLVJC-WUHRBBMRSA-N 1 3 240.391 1.635 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423274332 388054691 /nfs/dbraw/zinc/05/46/91/388054691.db2.gz LZDJEPAWLZLVJC-WUHRBBMRSA-N 1 3 240.391 1.635 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423275558 388056085 /nfs/dbraw/zinc/05/60/85/388056085.db2.gz LTNPUVOKDLCLKZ-QCNOEVLYSA-N 1 3 214.353 1.517 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000423288442 388072504 /nfs/dbraw/zinc/07/25/04/388072504.db2.gz SBSNGEIMLBPYAI-GHMZBOCLSA-N 1 3 213.369 1.044 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CN(C)C[C@H]1C ZINC000423288442 388072507 /nfs/dbraw/zinc/07/25/07/388072507.db2.gz SBSNGEIMLBPYAI-GHMZBOCLSA-N 1 3 213.369 1.044 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@@H]1CCCO1 ZINC000423295217 388077274 /nfs/dbraw/zinc/07/72/74/388077274.db2.gz DQHUNQSRSVYUTI-TUAOUCFPSA-N 1 3 214.353 1.661 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@H]1CCCO1 ZINC000423295215 388077461 /nfs/dbraw/zinc/07/74/61/388077461.db2.gz DQHUNQSRSVYUTI-IJLUTSLNSA-N 1 3 214.353 1.661 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000423297092 388078462 /nfs/dbraw/zinc/07/84/62/388078462.db2.gz IRGLACPRLHCFAN-WRWGMCAJSA-N 1 3 214.353 1.659 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@H]1CCC(=O)NC1(C)C ZINC000423296913 388078912 /nfs/dbraw/zinc/07/89/12/388078912.db2.gz HZGCTDYYNIRYTM-QWRGUYRKSA-N 1 3 241.379 1.151 20 0 BDADHO CC1CCC(N2CCN(CCC[NH3+])CC2)CC1 ZINC000085070144 388083963 /nfs/dbraw/zinc/08/39/63/388083963.db2.gz DXDRFVWZDKVMIF-UHFFFAOYSA-N 1 3 239.407 1.532 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCOCC1)CN1CCCC1 ZINC000086874597 388110333 /nfs/dbraw/zinc/11/03/33/388110333.db2.gz AWWTWSWUSLPNAS-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267475 388046057 /nfs/dbraw/zinc/04/60/57/388046057.db2.gz FEMNKDLDPNNREA-FDYHWXHSSA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267475 388046060 /nfs/dbraw/zinc/04/60/60/388046060.db2.gz FEMNKDLDPNNREA-FDYHWXHSSA-N 1 3 238.375 1.389 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])C(C)C)C12CCC2 ZINC000423269070 388047449 /nfs/dbraw/zinc/04/74/49/388047449.db2.gz GZNIJLJAJLCHPU-FRRDWIJNSA-N 1 3 240.391 1.907 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449649050 388248773 /nfs/dbraw/zinc/24/87/73/388248773.db2.gz RLWCDRMTGAQQPF-UTUOFQBUSA-N 1 3 241.379 1.138 20 0 BDADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000449675313 388251583 /nfs/dbraw/zinc/25/15/83/388251583.db2.gz ZHLOBYQQWWFXCP-JTQLQIEISA-N 1 3 247.342 1.616 20 0 BDADHO CC(C)[C@@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468535 388216577 /nfs/dbraw/zinc/21/65/77/388216577.db2.gz IQGOOUDHTHFPLP-GXFFZTMASA-N 1 3 249.358 1.306 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CCC(=O)NC1(C)C ZINC000517918497 256553779 /nfs/dbraw/zinc/55/37/79/256553779.db2.gz UFCSRRJUHBOBPP-NSHDSACASA-N 1 3 241.379 1.021 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000449605710 388240765 /nfs/dbraw/zinc/24/07/65/388240765.db2.gz WZRIGPWVFMTVSW-QWRGUYRKSA-N 1 3 249.358 1.214 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000449608676 388241233 /nfs/dbraw/zinc/24/12/33/388241233.db2.gz JLAVEMLFPQGZMA-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000568532396 388356136 /nfs/dbraw/zinc/35/61/36/388356136.db2.gz GMVIVNNCFXTANV-KWCYVHTRSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568532396 388356139 /nfs/dbraw/zinc/35/61/39/388356139.db2.gz GMVIVNNCFXTANV-KWCYVHTRSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000568532397 388356466 /nfs/dbraw/zinc/35/64/66/388356466.db2.gz GMVIVNNCFXTANV-MRVWCRGKSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568532397 388356467 /nfs/dbraw/zinc/35/64/67/388356467.db2.gz GMVIVNNCFXTANV-MRVWCRGKSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccnc1 ZINC000293655450 388356985 /nfs/dbraw/zinc/35/69/85/388356985.db2.gz LPDJUKIMZNZKFJ-NWDGAFQWSA-N 1 3 221.348 1.930 20 0 BDADHO COc1ccccc1C[C@@H](C)N[C@H](C)C[NH3+] ZINC000234876719 388362350 /nfs/dbraw/zinc/36/23/50/388362350.db2.gz WRAPVMHIPPPZGR-GHMZBOCLSA-N 1 3 222.332 1.563 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCn2cccn2)C1 ZINC000163723405 388366370 /nfs/dbraw/zinc/36/63/70/388366370.db2.gz WKOXTYDTZYMVKW-VXGBXAGGSA-N 1 3 222.336 1.133 20 0 BDADHO Cc1ccccc1C[C@H](C)N[C@H](C)C[NH3+] ZINC000235458824 388369787 /nfs/dbraw/zinc/36/97/87/388369787.db2.gz PIBVJKMFCMZMPQ-NWDGAFQWSA-N 1 3 206.333 1.863 20 0 BDADHO CC1(C)[C@H](O)C[C@H]1NCCC[NH+]1CCCCC1 ZINC000163875058 388369816 /nfs/dbraw/zinc/36/98/16/388369816.db2.gz BBJWJZJGRNNZFT-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1NCCC[NH+]1CCCCC1 ZINC000163875147 388369853 /nfs/dbraw/zinc/36/98/53/388369853.db2.gz BBJWJZJGRNNZFT-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236176314 388378160 /nfs/dbraw/zinc/37/81/60/388378160.db2.gz PGPCVGYIHMNPRY-JQWIXIFHSA-N 1 3 208.349 1.894 20 0 BDADHO CCCC[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236691071 388381374 /nfs/dbraw/zinc/38/13/74/388381374.db2.gz UZRZHTTYYIYDDD-VXGBXAGGSA-N 1 3 243.395 1.336 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000646578991 388388323 /nfs/dbraw/zinc/38/83/23/388388323.db2.gz MVWDSPPJISVZNJ-BXKDBHETSA-N 1 3 233.315 1.082 20 0 BDADHO NCc1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000646578869 388389012 /nfs/dbraw/zinc/38/90/12/388389012.db2.gz IACFUHHHEKUYJM-LLVKDONJSA-N 1 3 233.315 1.083 20 0 BDADHO NCc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000646579059 388389162 /nfs/dbraw/zinc/38/91/62/388389162.db2.gz PKWWHVWLOPFRMZ-UHFFFAOYSA-N 1 3 247.342 1.603 20 0 BDADHO COCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397350022 388460991 /nfs/dbraw/zinc/46/09/91/388460991.db2.gz ZQSUFYQGTVFYBI-SRVKXCTJSA-N 1 3 214.353 1.328 20 0 BDADHO COCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397350022 388460992 /nfs/dbraw/zinc/46/09/92/388460992.db2.gz ZQSUFYQGTVFYBI-SRVKXCTJSA-N 1 3 214.353 1.328 20 0 BDADHO COCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397350022 388460993 /nfs/dbraw/zinc/46/09/93/388460993.db2.gz ZQSUFYQGTVFYBI-SRVKXCTJSA-N 1 3 214.353 1.328 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316687319 388420422 /nfs/dbraw/zinc/42/04/22/388420422.db2.gz ZTKDAIREZQLNGW-RWMBFGLXSA-N 1 3 226.364 1.255 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000397232631 388421079 /nfs/dbraw/zinc/42/10/79/388421079.db2.gz GZPRVMWJPJPFMA-XQQFMLRXSA-N 1 3 226.364 1.519 20 0 BDADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000573266712 388437154 /nfs/dbraw/zinc/43/71/54/388437154.db2.gz KXGQNGCMHYZQLU-QNWHQSFQSA-N 1 3 242.363 1.040 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CCCC1 ZINC000354404552 388543809 /nfs/dbraw/zinc/54/38/09/388543809.db2.gz IUDPHARDLXVSIF-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000397787271 388499052 /nfs/dbraw/zinc/49/90/52/388499052.db2.gz RDUAVVDWTREICH-RWMBFGLXSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860849 388507496 /nfs/dbraw/zinc/50/74/96/388507496.db2.gz YEABWGIHOOOONL-RYUDHWBXSA-N 1 3 225.380 1.010 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@@H]2CCC[NH2+]C2)O1 ZINC000398025385 388514614 /nfs/dbraw/zinc/51/46/14/388514614.db2.gz AEOOEKWGGWYMHC-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+]C[C@@H]2CCCNC2)O1 ZINC000398025385 388514617 /nfs/dbraw/zinc/51/46/17/388514617.db2.gz AEOOEKWGGWYMHC-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)C1CC1 ZINC000398004803 388514897 /nfs/dbraw/zinc/51/48/97/388514897.db2.gz AKRKAJJJVWCCRP-OAHLLOKOSA-N 1 3 246.354 1.804 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000352539440 388536922 /nfs/dbraw/zinc/53/69/22/388536922.db2.gz ARQXCBPDXMYGQI-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000352539440 388536926 /nfs/dbraw/zinc/53/69/26/388536926.db2.gz ARQXCBPDXMYGQI-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOCC1CC1 ZINC000261595426 135235082 /nfs/dbraw/zinc/23/50/82/135235082.db2.gz YCIYMDXTJMQHDA-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]([NH3+])c1ccc(CNC(=O)CNC2CC2)cc1 ZINC000521610718 388619066 /nfs/dbraw/zinc/61/90/66/388619066.db2.gz OJLGPPWCTRSGQL-JTQLQIEISA-N 1 3 247.342 1.075 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000530179950 388623299 /nfs/dbraw/zinc/62/32/99/388623299.db2.gz ZAEJYUAEVZIECD-YRGRVCCFSA-N 1 3 249.402 1.486 20 0 BDADHO Cc1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)on1 ZINC000630076786 388627300 /nfs/dbraw/zinc/62/73/00/388627300.db2.gz ODMQTJJVTNDRFJ-PHIMTYICSA-N 1 3 223.320 1.413 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209512 388628237 /nfs/dbraw/zinc/62/82/37/388628237.db2.gz IHGSWZYHRBWPAF-RDBSUJKOSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCCOC1 ZINC000530215794 388629006 /nfs/dbraw/zinc/62/90/06/388629006.db2.gz JAMPDXAHBXCSRD-XQQFMLRXSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1C[C@H]1C ZINC000530216467 388629855 /nfs/dbraw/zinc/62/98/55/388629855.db2.gz PDVIIQJZFPALBC-NOOOWODRSA-N 1 3 208.349 1.905 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220228 388631339 /nfs/dbraw/zinc/63/13/39/388631339.db2.gz MLYBDGMGTVQADG-NSDPGXDNSA-N 1 3 244.338 1.900 20 0 BDADHO COc1ccc(CCNC[C@H]2CCC[NH2+]C2)cn1 ZINC000530243321 388638948 /nfs/dbraw/zinc/63/89/48/388638948.db2.gz HLSKXSXIHLGNBF-ZDUSSCGKSA-N 1 3 249.358 1.222 20 0 BDADHO C[C@H](CNCC(C)(C)[NH3+])c1ccncc1 ZINC000530244536 388639010 /nfs/dbraw/zinc/63/90/10/388639010.db2.gz MBYWXHNDQWTPOO-SNVBAGLBSA-N 1 3 207.321 1.512 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985076 388656757 /nfs/dbraw/zinc/65/67/57/388656757.db2.gz JUFHUZQYTQMTHF-NWDGAFQWSA-N 1 3 242.363 1.212 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985076 388656758 /nfs/dbraw/zinc/65/67/58/388656758.db2.gz JUFHUZQYTQMTHF-NWDGAFQWSA-N 1 3 242.363 1.212 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)COC)C1 ZINC000247143979 388659472 /nfs/dbraw/zinc/65/94/72/388659472.db2.gz SNOQTMKNSNAEAM-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)COC)C1 ZINC000247143979 388659474 /nfs/dbraw/zinc/65/94/74/388659474.db2.gz SNOQTMKNSNAEAM-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](C)COC)C1 ZINC000247143979 388659475 /nfs/dbraw/zinc/65/94/75/388659475.db2.gz SNOQTMKNSNAEAM-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@@H](C)C(=O)OC ZINC000191450377 388662626 /nfs/dbraw/zinc/66/26/26/388662626.db2.gz UAZIXVDDNWBDDM-GFCCVEGCSA-N 1 3 244.379 1.459 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000191450377 388662627 /nfs/dbraw/zinc/66/26/27/388662627.db2.gz UAZIXVDDNWBDDM-GFCCVEGCSA-N 1 3 244.379 1.459 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000227003581 388735717 /nfs/dbraw/zinc/73/57/17/388735717.db2.gz LGBOJPPCTGFUNF-SDDRHHMPSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000251535774 388749230 /nfs/dbraw/zinc/74/92/30/388749230.db2.gz KNYZEJJRHDJDDL-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000251535774 388749232 /nfs/dbraw/zinc/74/92/32/388749232.db2.gz KNYZEJJRHDJDDL-QJPTWQEYSA-N 1 3 212.337 1.082 20 0 BDADHO C[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)CC1CC1 ZINC000227799946 388758680 /nfs/dbraw/zinc/75/86/80/388758680.db2.gz UZAOCVZNUXBWJG-GJZGRUSLSA-N 1 3 248.370 1.259 20 0 BDADHO C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)CC1CC1 ZINC000227799946 388758684 /nfs/dbraw/zinc/75/86/84/388758684.db2.gz UZAOCVZNUXBWJG-GJZGRUSLSA-N 1 3 248.370 1.259 20 0 BDADHO CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC1 ZINC000227799946 388758687 /nfs/dbraw/zinc/75/86/87/388758687.db2.gz UZAOCVZNUXBWJG-GJZGRUSLSA-N 1 3 248.370 1.259 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703130 388771834 /nfs/dbraw/zinc/77/18/34/388771834.db2.gz KQFXAKGHKYXZFF-FRRDWIJNSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703130 388771837 /nfs/dbraw/zinc/77/18/37/388771837.db2.gz KQFXAKGHKYXZFF-FRRDWIJNSA-N 1 3 226.364 1.220 20 0 BDADHO c1cnn(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252703287 388771969 /nfs/dbraw/zinc/77/19/69/388771969.db2.gz QGOBGIVUSXNGAD-KBPBESRZSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252703287 388771973 /nfs/dbraw/zinc/77/19/73/388771973.db2.gz QGOBGIVUSXNGAD-KBPBESRZSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCC[NH2+][C@H]2CCN3CCC[C@H]3C2)c1 ZINC000252703287 388771975 /nfs/dbraw/zinc/77/19/75/388771975.db2.gz QGOBGIVUSXNGAD-KBPBESRZSA-N 1 3 248.374 1.490 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@]1(C)CO ZINC000554811769 388830816 /nfs/dbraw/zinc/83/08/16/388830816.db2.gz JORUGTUZYLEPRX-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@]1(C)CO ZINC000554811769 388830817 /nfs/dbraw/zinc/83/08/17/388830817.db2.gz JORUGTUZYLEPRX-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CC(C)N1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000565038901 388910251 /nfs/dbraw/zinc/91/02/51/388910251.db2.gz VOPRPSGJGPKDBK-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000565227244 388929338 /nfs/dbraw/zinc/92/93/38/388929338.db2.gz WWUUZMURQUTUOO-AVGNSLFASA-N 1 3 242.407 1.889 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565227244 388929340 /nfs/dbraw/zinc/92/93/40/388929340.db2.gz WWUUZMURQUTUOO-AVGNSLFASA-N 1 3 242.407 1.889 20 0 BDADHO C[C@]1(CN[C@@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608767 388959288 /nfs/dbraw/zinc/95/92/88/388959288.db2.gz IXQCIJVWNWUOBH-CABCVRRESA-N 1 3 245.370 1.845 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2CCC[C@H]2F)C1 ZINC000565549780 388954767 /nfs/dbraw/zinc/95/47/67/388954767.db2.gz RYMGLNWJUBUONJ-ZDCRXTMVSA-N 1 3 200.301 1.737 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000566088222 388986621 /nfs/dbraw/zinc/98/66/21/388986621.db2.gz LUPCMLRFXMDDNQ-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000156741527 133472596 /nfs/dbraw/zinc/47/25/96/133472596.db2.gz CVKCXMJDZZCYSN-NWDGAFQWSA-N 1 3 226.364 1.256 20 0 BDADHO C[C@]1(C(=O)Nc2ccc3c(c2)CNC3)CC[NH2+]C1 ZINC000335493414 133865570 /nfs/dbraw/zinc/86/55/70/133865570.db2.gz CREATDQMTLHHGW-AWEZNQCLSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc(N)c2)C1 ZINC000335964114 134027556 /nfs/dbraw/zinc/02/75/56/134027556.db2.gz QUZSZADBNGOKGV-PWSUYJOCSA-N 1 3 219.332 1.438 20 0 BDADHO Oc1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000336129545 134093979 /nfs/dbraw/zinc/09/39/79/134093979.db2.gz XYPGCFZKIFUYAT-UHFFFAOYSA-N 1 3 246.354 1.968 20 0 BDADHO Cc1cc(CN[C@@H](C)CC[NH3+])ccc1F ZINC000220507761 134309492 /nfs/dbraw/zinc/30/94/92/134309492.db2.gz IYNZENSVELFPFK-JTQLQIEISA-N 1 3 210.296 1.961 20 0 BDADHO CC[N@H+](CC[C@H]1CCCN1C)C[C@@H]1CCCO1 ZINC000179247729 134318310 /nfs/dbraw/zinc/31/83/10/134318310.db2.gz HTLFEPKSNCURGM-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@@H+](CC[C@H]1CCCN1C)C[C@@H]1CCCO1 ZINC000179247729 134318311 /nfs/dbraw/zinc/31/83/11/134318311.db2.gz HTLFEPKSNCURGM-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000223006710 134336258 /nfs/dbraw/zinc/33/62/58/134336258.db2.gz RBNTUYMZLJMOLR-AAEUAGOBSA-N 1 3 236.363 1.264 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCC2CC2)CC[N@@H+]1C ZINC000223378255 134338796 /nfs/dbraw/zinc/33/87/96/134338796.db2.gz RUOHJBQAFPCMPA-YPMHNXCESA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCC2CC2)CC[N@H+]1C ZINC000223378255 134338797 /nfs/dbraw/zinc/33/87/97/134338797.db2.gz RUOHJBQAFPCMPA-YPMHNXCESA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)N(C)CCC[NH2+]C1CCC(O)CC1 ZINC000226336507 134360742 /nfs/dbraw/zinc/36/07/42/134360742.db2.gz GMMDPUNRZSBFPL-UHFFFAOYSA-N 1 3 228.380 1.610 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000227172466 134374478 /nfs/dbraw/zinc/37/44/78/134374478.db2.gz VPIWQBAQYPIIRB-YNEHKIRRSA-N 1 3 227.396 1.256 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248389538 135002244 /nfs/dbraw/zinc/00/22/44/135002244.db2.gz SIUSUDKEISOSDJ-UTUOFQBUSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248389538 135002245 /nfs/dbraw/zinc/00/22/45/135002245.db2.gz SIUSUDKEISOSDJ-UTUOFQBUSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000234736065 135044192 /nfs/dbraw/zinc/04/41/92/135044192.db2.gz LSUVDGXHOYKLNN-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000234736065 135044193 /nfs/dbraw/zinc/04/41/93/135044193.db2.gz LSUVDGXHOYKLNN-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251059029 135061903 /nfs/dbraw/zinc/06/19/03/135061903.db2.gz HNZZFHSYVRSVSB-FDYHWXHSSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251228194 135066281 /nfs/dbraw/zinc/06/62/81/135066281.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251228194 135066282 /nfs/dbraw/zinc/06/62/82/135066282.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251228194 135066284 /nfs/dbraw/zinc/06/62/84/135066284.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251228194 135066286 /nfs/dbraw/zinc/06/62/86/135066286.db2.gz PUHGDRDOVSKPQF-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251207045 135066320 /nfs/dbraw/zinc/06/63/20/135066320.db2.gz LSFZVQPSOKPXHW-XJFOESAGSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000251207045 135066321 /nfs/dbraw/zinc/06/63/21/135066321.db2.gz LSFZVQPSOKPXHW-XJFOESAGSA-N 1 3 240.391 1.658 20 0 BDADHO COCC[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251615355 135072313 /nfs/dbraw/zinc/07/23/13/135072313.db2.gz DQOPOMRUZYOSCI-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000251615355 135072315 /nfs/dbraw/zinc/07/23/15/135072315.db2.gz DQOPOMRUZYOSCI-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000251615355 135072317 /nfs/dbraw/zinc/07/23/17/135072317.db2.gz DQOPOMRUZYOSCI-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO CC[C@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500769 135087381 /nfs/dbraw/zinc/08/73/81/135087381.db2.gz QTRHBJHFRCLFQJ-XQQFMLRXSA-N 1 3 228.380 1.658 20 0 BDADHO COCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500489 135088866 /nfs/dbraw/zinc/08/88/66/135088866.db2.gz IHYPBBQQEGLNNX-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO CS[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252730926 135104077 /nfs/dbraw/zinc/10/40/77/135104077.db2.gz NMKKRVILNCXHMV-WOPDTQHZSA-N 1 3 228.405 1.954 20 0 BDADHO CS[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252730926 135104078 /nfs/dbraw/zinc/10/40/78/135104078.db2.gz NMKKRVILNCXHMV-WOPDTQHZSA-N 1 3 228.405 1.954 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252746576 135106578 /nfs/dbraw/zinc/10/65/78/135106578.db2.gz BNBMLJVEASXZRL-QSLWVIQJSA-N 1 3 240.391 1.656 20 0 BDADHO COCC(C)(C)C[N@@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000261782187 135110679 /nfs/dbraw/zinc/11/06/79/135110679.db2.gz FNBZGENQCBBIKH-NEPJUHHUSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)C[N@H+]1CCC[C@H]([C@@H](C)N)C1 ZINC000261782187 135110682 /nfs/dbraw/zinc/11/06/82/135110682.db2.gz FNBZGENQCBBIKH-NEPJUHHUSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000261782187 135110684 /nfs/dbraw/zinc/11/06/84/135110684.db2.gz FNBZGENQCBBIKH-NEPJUHHUSA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252790141 135111211 /nfs/dbraw/zinc/11/12/11/135111211.db2.gz YOEJPNQXGVUCCV-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO C([C@@H]1CCSC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257641400 135137877 /nfs/dbraw/zinc/13/78/77/135137877.db2.gz AZZBCXLCSLVXBO-RYUDHWBXSA-N 1 3 226.389 1.425 20 0 BDADHO Cc1c(CN2CCC3(CC[NH2+]C3)CC2)cnn1C ZINC000257717131 135140432 /nfs/dbraw/zinc/14/04/32/135140432.db2.gz UXWDERRRVNIFEZ-UHFFFAOYSA-N 1 3 248.374 1.304 20 0 BDADHO C([C@H]1CCCOC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257713853 135140579 /nfs/dbraw/zinc/14/05/79/135140579.db2.gz UGRRRVTWYZXGQE-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@H]1CCCOC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257713853 135140581 /nfs/dbraw/zinc/14/05/81/135140581.db2.gz UGRRRVTWYZXGQE-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO CO[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000261532370 135162341 /nfs/dbraw/zinc/16/23/41/135162341.db2.gz ADXMYWKNAROEFQ-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@H]2CCCNC2)[C@@H](C)C1 ZINC000261532370 135162343 /nfs/dbraw/zinc/16/23/43/135162343.db2.gz ADXMYWKNAROEFQ-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)[C@@H](C)C1 ZINC000261532370 135162344 /nfs/dbraw/zinc/16/23/44/135162344.db2.gz ADXMYWKNAROEFQ-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000261532371 135162482 /nfs/dbraw/zinc/16/24/82/135162482.db2.gz ADXMYWKNAROEFQ-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@@H](C)C1 ZINC000261532371 135162484 /nfs/dbraw/zinc/16/24/84/135162484.db2.gz ADXMYWKNAROEFQ-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@@H](C)C1 ZINC000261532371 135162485 /nfs/dbraw/zinc/16/24/85/135162485.db2.gz ADXMYWKNAROEFQ-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO COc1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000261533600 135164806 /nfs/dbraw/zinc/16/48/06/135164806.db2.gz LCFYKKOKHGZLGK-NXEZZACHSA-N 1 3 208.305 1.521 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CCO1 ZINC000261534085 135165844 /nfs/dbraw/zinc/16/58/44/135165844.db2.gz MUBYGEHTHXMTSC-YVECIDJPSA-N 1 3 226.364 1.661 20 0 BDADHO CC(C)COCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261534181 135166657 /nfs/dbraw/zinc/16/66/57/135166657.db2.gz ODQIBPBVVCZBJQ-QWHCGFSZSA-N 1 3 228.380 1.576 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCOC1 ZINC000087783694 135169438 /nfs/dbraw/zinc/16/94/38/135169438.db2.gz NIMMBYUPDUNYNV-DDHJBXDOSA-N 1 3 212.337 1.094 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCOC1 ZINC000087783694 135169440 /nfs/dbraw/zinc/16/94/40/135169440.db2.gz NIMMBYUPDUNYNV-DDHJBXDOSA-N 1 3 212.337 1.094 20 0 BDADHO CC[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000261535507 135169605 /nfs/dbraw/zinc/16/96/05/135169605.db2.gz ZXVGZWMAOHXBOF-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H]1C[N@H+](C[C@H]2CCCNC2)CCCO1 ZINC000261535507 135169607 /nfs/dbraw/zinc/16/96/07/135169607.db2.gz ZXVGZWMAOHXBOF-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H]1C[N@@H+](C[C@H]2CCCNC2)CCCO1 ZINC000261535507 135169608 /nfs/dbraw/zinc/16/96/08/135169608.db2.gz ZXVGZWMAOHXBOF-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CN(CC[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000261535391 135169742 /nfs/dbraw/zinc/16/97/42/135169742.db2.gz YBDYWKYJMNSYKY-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCCNCC1 ZINC000261535391 135169743 /nfs/dbraw/zinc/16/97/43/135169743.db2.gz YBDYWKYJMNSYKY-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCCNCC1 ZINC000261535391 135169745 /nfs/dbraw/zinc/16/97/45/135169745.db2.gz YBDYWKYJMNSYKY-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO Cc1noc(C)c1CNCC1(C)CC[NH2+]CC1 ZINC000261538233 135175737 /nfs/dbraw/zinc/17/57/37/135175737.db2.gz UBUUMYDILKTHGN-UHFFFAOYSA-N 1 3 237.347 1.771 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000261543564 135184927 /nfs/dbraw/zinc/18/49/27/135184927.db2.gz UOKFLBPNPGMUNE-FQUUOJAGSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H](c1ccccn1)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544353 135185165 /nfs/dbraw/zinc/18/51/65/135185165.db2.gz DTTFGHRVXBJJHE-VOAKCMCISA-N 1 3 231.343 1.812 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cccnc1 ZINC000084193918 135191360 /nfs/dbraw/zinc/19/13/60/135191360.db2.gz SUSLHZBVOQSJOM-NEPJUHHUSA-N 1 3 205.305 1.299 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215650 135192174 /nfs/dbraw/zinc/19/21/74/135192174.db2.gz QHZLLDGSUBSZRG-SDDRHHMPSA-N 1 3 212.337 1.273 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000084218234 135192697 /nfs/dbraw/zinc/19/26/97/135192697.db2.gz ZJLHCDWDXINTMZ-OLZOCXBDSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000084216865 135193157 /nfs/dbraw/zinc/19/31/57/135193157.db2.gz XLHLPRFAKBDXPV-CHWSQXEVSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000261564137 135205773 /nfs/dbraw/zinc/20/57/73/135205773.db2.gz XNCGGGYEBSGQIF-RFGFWPKPSA-N 1 3 240.391 1.645 20 0 BDADHO COc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261564283 135206259 /nfs/dbraw/zinc/20/62/59/135206259.db2.gz HDYDETJVXIPETM-NWANDNLSSA-N 1 3 246.354 1.864 20 0 BDADHO Cc1ncsc1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000084385997 135218107 /nfs/dbraw/zinc/21/81/07/135218107.db2.gz XFYQNYVSHXKOSQ-NSHDSACASA-N 1 3 239.388 1.883 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261583064 135224406 /nfs/dbraw/zinc/22/44/06/135224406.db2.gz OUYUDVFIAVSSJR-VXGBXAGGSA-N 1 3 228.380 1.766 20 0 BDADHO COc1ccccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261584038 135225051 /nfs/dbraw/zinc/22/50/51/135225051.db2.gz SAOPIEFKHCQPEO-IACUBPJLSA-N 1 3 246.354 1.864 20 0 BDADHO CN1CCC[C@@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261591579 135231971 /nfs/dbraw/zinc/23/19/71/135231971.db2.gz XSHMJWSYGFSMPP-DFBGVHRSSA-N 1 3 245.370 1.815 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261592026 135232739 /nfs/dbraw/zinc/23/27/39/135232739.db2.gz VRJOJFSEFVCFKC-STQMWFEESA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H](CN(C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000261547176 135240082 /nfs/dbraw/zinc/24/00/82/135240082.db2.gz LZCJRMHMIYKEGF-UKRRQHHQSA-N 1 3 247.386 1.458 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000261547190 135240196 /nfs/dbraw/zinc/24/01/96/135240196.db2.gz LZYIVMFMSZCCCV-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000261547190 135240198 /nfs/dbraw/zinc/24/01/98/135240198.db2.gz LZYIVMFMSZCCCV-AGIUHOORSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@@H+]1Cc1cccc(N)c1 ZINC000261628493 135241819 /nfs/dbraw/zinc/24/18/19/135241819.db2.gz DJSYHWMPLNAKKS-SMDDNHRTSA-N 1 3 233.359 1.971 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@H+]1Cc1cccc(N)c1 ZINC000261628493 135241820 /nfs/dbraw/zinc/24/18/20/135241820.db2.gz DJSYHWMPLNAKKS-SMDDNHRTSA-N 1 3 233.359 1.971 20 0 BDADHO CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000261731080 135248121 /nfs/dbraw/zinc/24/81/21/135248121.db2.gz HECVDVHFVAHRKL-UONOGXRCSA-N 1 3 237.391 1.155 20 0 BDADHO CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000261731071 135248252 /nfs/dbraw/zinc/24/82/52/135248252.db2.gz HECVDVHFVAHRKL-KBPBESRZSA-N 1 3 237.391 1.155 20 0 BDADHO COC(=O)C(C)(C)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000261912857 135262599 /nfs/dbraw/zinc/26/25/99/135262599.db2.gz JMGCIFDGHCPXNU-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)C(C)(C)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000261912857 135262600 /nfs/dbraw/zinc/26/26/00/135262600.db2.gz JMGCIFDGHCPXNU-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)C(C)(C)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000261912857 135262601 /nfs/dbraw/zinc/26/26/01/135262601.db2.gz JMGCIFDGHCPXNU-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO C[C@]1(CN2CCC[C@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261954959 135265963 /nfs/dbraw/zinc/26/59/63/135265963.db2.gz GPDKQKCMUDHBMB-IHRRRGAJSA-N 1 3 238.375 1.487 20 0 BDADHO CC(C)([NH3+])CN1CC[C@H](C2CCOCC2)C1 ZINC000262014885 135272944 /nfs/dbraw/zinc/27/29/44/135272944.db2.gz VNMNMJWKTQKJLI-LBPRGKRZSA-N 1 3 226.364 1.472 20 0 BDADHO CN(C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262061762 135276857 /nfs/dbraw/zinc/27/68/57/135276857.db2.gz RFBOFONWQBVPSK-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO Cc1cnc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000262067301 135277068 /nfs/dbraw/zinc/27/70/68/135277068.db2.gz RRNUJHMFHKEZQC-UHFFFAOYSA-N 1 3 246.358 1.361 20 0 BDADHO CN(C[C@@H]1CCC[C@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262061770 135277306 /nfs/dbraw/zinc/27/73/06/135277306.db2.gz RFBOFONWQBVPSK-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOCC(F)F)C[C@H]21 ZINC000262116247 135279403 /nfs/dbraw/zinc/27/94/03/135279403.db2.gz LHPZRZHIOOWVGK-HBNTYKKESA-N 1 3 248.317 1.327 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@@H](C2CC2)C1 ZINC000262121910 135280909 /nfs/dbraw/zinc/28/09/09/135280909.db2.gz MDJBJVZKYSSVIB-YIYPIFLZSA-N 1 3 238.375 1.125 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000262121910 135280910 /nfs/dbraw/zinc/28/09/10/135280910.db2.gz MDJBJVZKYSSVIB-YIYPIFLZSA-N 1 3 238.375 1.125 20 0 BDADHO CC[NH2+][C@H](C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000262321176 135293027 /nfs/dbraw/zinc/29/30/27/135293027.db2.gz CIVQKFNODMDIJH-DGCLKSJQSA-N 1 3 249.358 1.191 20 0 BDADHO C[C@H](C(=O)NC(C)(C)C[NH3+])N1CCCCCC1 ZINC000262513961 135303292 /nfs/dbraw/zinc/30/32/92/135303292.db2.gz QHSFPUAJAXALBD-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@](C)(N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262598925 135308048 /nfs/dbraw/zinc/30/80/48/135308048.db2.gz NLGFCEMGGAAWEY-AAEUAGOBSA-N 1 3 243.395 1.336 20 0 BDADHO C[C@@H]1CCC[C@H](C)N1CCNC1=[NH+]CCCN1 ZINC000263161824 135336455 /nfs/dbraw/zinc/33/64/55/135336455.db2.gz OZRXGLWVANIZTE-TXEJJXNPSA-N 1 3 238.379 1.188 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H](C)CC[NH+](C)C ZINC000348707742 136116875 /nfs/dbraw/zinc/11/68/75/136116875.db2.gz JTPFZOLAUGQRQL-LLVKDONJSA-N 1 3 244.379 1.506 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C ZINC000629545375 397968762 /nfs/dbraw/zinc/96/87/62/397968762.db2.gz DCCCTNQIPQLCLI-GARJFASQSA-N 1 3 200.326 1.142 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2C[C@H](F)CN2)c2ccccc21 ZINC000643538213 397919913 /nfs/dbraw/zinc/91/99/13/397919913.db2.gz BOMSYCBCOSAPIN-ZNIXKSQXSA-N 1 3 249.333 1.421 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H]2CCC[C@H]21 ZINC000383179186 398009585 /nfs/dbraw/zinc/00/95/85/398009585.db2.gz JLMVAPSKXCBWIW-MELADBBJSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H]2CCC[C@H]21 ZINC000383179186 398009588 /nfs/dbraw/zinc/00/95/88/398009588.db2.gz JLMVAPSKXCBWIW-MELADBBJSA-N 1 3 240.391 1.562 20 0 BDADHO [NH3+]CCCN(CCO)[C@@H]1CCCc2ccccc21 ZINC000414689247 398018654 /nfs/dbraw/zinc/01/86/54/398018654.db2.gz FOOOBUKQIDYHEM-OAHLLOKOSA-N 1 3 248.370 1.707 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098321 397974016 /nfs/dbraw/zinc/97/40/16/397974016.db2.gz VHNDHMSVRCFYFW-CYBMUJFWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1OCC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000414917608 398092307 /nfs/dbraw/zinc/09/23/07/398092307.db2.gz RVOLZZIGNUHBQD-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414917608 398092308 /nfs/dbraw/zinc/09/23/08/398092308.db2.gz RVOLZZIGNUHBQD-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414871105 398077365 /nfs/dbraw/zinc/07/73/65/398077365.db2.gz CXEVEJXCWVDWFD-NOZJJQNGSA-N 1 3 238.762 1.992 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414871105 398077368 /nfs/dbraw/zinc/07/73/68/398077368.db2.gz CXEVEJXCWVDWFD-NOZJJQNGSA-N 1 3 238.762 1.992 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000638244696 398081317 /nfs/dbraw/zinc/08/13/17/398081317.db2.gz YCEBLNSSLFHNHW-NEPJUHHUSA-N 1 3 243.395 1.384 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)O1 ZINC000384735921 398103434 /nfs/dbraw/zinc/10/34/34/398103434.db2.gz KPXOWCSAPUFSEB-ROHXPCBUSA-N 1 3 212.337 1.412 20 0 BDADHO CO[C@H](CN[C@H](C)CC[NH+](C)C)C1CC1 ZINC000400275702 398103894 /nfs/dbraw/zinc/10/38/94/398103894.db2.gz GNHSMDTZHJCVSY-ZYHUDNBSSA-N 1 3 214.353 1.341 20 0 BDADHO CCC[C@H](C)CNC[C@]1(COC)CCC[NH2+]1 ZINC000414948285 398122732 /nfs/dbraw/zinc/12/27/32/398122732.db2.gz WYQCWYMMPBUXLR-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO Cc1cc(CN2CCC3(CC[NH2+]C3)CC2)nn1C ZINC000257663519 322872516 /nfs/dbraw/zinc/87/25/16/322872516.db2.gz GSGLXFJZFUOUBE-UHFFFAOYSA-N 1 3 248.374 1.304 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C)CC1 ZINC000393873850 487586924 /nfs/dbraw/zinc/58/69/24/487586924.db2.gz CAJYJAFICOUKEV-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](C)CC1 ZINC000393873850 487586934 /nfs/dbraw/zinc/58/69/34/487586934.db2.gz CAJYJAFICOUKEV-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)OC[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000336762687 167256323 /nfs/dbraw/zinc/25/63/23/167256323.db2.gz OJPCDFIMYWYVBH-NWDGAFQWSA-N 1 3 216.369 1.730 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000305679358 487602693 /nfs/dbraw/zinc/60/26/93/487602693.db2.gz NAQWGRUVVDROOZ-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000305679358 487602697 /nfs/dbraw/zinc/60/26/97/487602697.db2.gz NAQWGRUVVDROOZ-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CCCC[C@H]2O)C1 ZINC000305679358 487602700 /nfs/dbraw/zinc/60/27/00/487602700.db2.gz NAQWGRUVVDROOZ-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCCC[C@H]2O)C1 ZINC000305679358 487602704 /nfs/dbraw/zinc/60/27/04/487602704.db2.gz NAQWGRUVVDROOZ-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO [NH3+][C@H]1C[C@H](C(=O)Nc2cccc3c2CCNC3)C1 ZINC000662416146 487604192 /nfs/dbraw/zinc/60/41/92/487604192.db2.gz USFAYZVQSLGVHA-XYPYZODXSA-N 1 3 245.326 1.008 20 0 BDADHO CO[C@H](C[N@@H+]1CCCNCC1)C1CCCC1 ZINC000662241922 409529319 /nfs/dbraw/zinc/52/93/19/409529319.db2.gz YRQRQGIDPSIURE-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](C[N@H+]1CCCNCC1)C1CCCC1 ZINC000662241922 409529327 /nfs/dbraw/zinc/52/93/27/409529327.db2.gz YRQRQGIDPSIURE-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H](CN)C1)C1CCCCC1 ZINC000662245206 409537956 /nfs/dbraw/zinc/53/79/56/409537956.db2.gz IUFBYQCEIWSFQB-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H](CN)C1)C1CCCCC1 ZINC000662245206 409537969 /nfs/dbraw/zinc/53/79/69/409537969.db2.gz IUFBYQCEIWSFQB-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](CN1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000662245206 409537980 /nfs/dbraw/zinc/53/79/80/409537980.db2.gz IUFBYQCEIWSFQB-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@H](CN)C1)C1CCC1 ZINC000662246066 409541403 /nfs/dbraw/zinc/54/14/03/409541403.db2.gz NSKKGOYRBFAHJM-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@H](CN)C1)C1CCC1 ZINC000662246066 409541410 /nfs/dbraw/zinc/54/14/10/409541410.db2.gz NSKKGOYRBFAHJM-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[NH2+]CC1CCN(Cc2conc2C)CC1 ZINC000662247170 409544330 /nfs/dbraw/zinc/54/43/30/409544330.db2.gz UPYPGAQCSZTRAN-UHFFFAOYSA-N 1 3 223.320 1.414 20 0 BDADHO [NH3+]CC[C@H]1CCCN(CCO[C@@H]2CC2(F)F)C1 ZINC000662270688 409575210 /nfs/dbraw/zinc/57/52/10/409575210.db2.gz CAUWONBMRWMYCK-GHMZBOCLSA-N 1 3 248.317 1.471 20 0 BDADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662284594 409615331 /nfs/dbraw/zinc/61/53/31/409615331.db2.gz ZFCQVIGAKACTFY-FRRDWIJNSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CN(CCCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000050952663 409932537 /nfs/dbraw/zinc/93/25/37/409932537.db2.gz CNFNVQLWTQCVTA-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCOC[C@@H](C)NCc1ccccc1C[NH2+]C ZINC000650719201 410356026 /nfs/dbraw/zinc/35/60/26/410356026.db2.gz HNYNAWSZJMIXTB-GFCCVEGCSA-N 1 3 236.359 1.921 20 0 BDADHO C[C@H](CO)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000650715196 410350130 /nfs/dbraw/zinc/35/01/30/410350130.db2.gz UBJAKLMEFMSWBX-CHWSQXEVSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@H](CO)C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000650715196 410350135 /nfs/dbraw/zinc/35/01/35/410350135.db2.gz UBJAKLMEFMSWBX-CHWSQXEVSA-N 1 3 240.391 1.326 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@H]1CCO[C@H]1C ZINC000650719469 410358611 /nfs/dbraw/zinc/35/86/11/410358611.db2.gz RCAYVAWJYSVVSB-FZMZJTMJSA-N 1 3 234.343 1.673 20 0 BDADHO C[C@@H]1C[C@@H](NCCC2(C[NH3+])CC2)c2nccn21 ZINC000650746826 410388524 /nfs/dbraw/zinc/38/85/24/410388524.db2.gz MAZPUYLYSYSSDY-GHMZBOCLSA-N 1 3 234.347 1.608 20 0 BDADHO CN(CCC[NH3+])Cc1ccc2c(c1)CCC2 ZINC000070063392 410457145 /nfs/dbraw/zinc/45/71/45/410457145.db2.gz HDMZHXVLNGFTDQ-UHFFFAOYSA-N 1 3 218.344 1.956 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)c2ccccc21 ZINC000665234291 410724765 /nfs/dbraw/zinc/72/47/65/410724765.db2.gz AIPCIEXWFRWGPN-RBSFLKMASA-N 1 3 246.354 1.882 20 0 BDADHO Cc1cncc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665273921 410743690 /nfs/dbraw/zinc/74/36/90/410743690.db2.gz GRLDHPCZWIJJGD-VXGBXAGGSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)n1 ZINC000665273921 410743697 /nfs/dbraw/zinc/74/36/97/410743697.db2.gz GRLDHPCZWIJJGD-VXGBXAGGSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cncc(CC[NH2+][C@H](C)[C@H]2CCCCN2)n1 ZINC000665274430 410743847 /nfs/dbraw/zinc/74/38/47/410743847.db2.gz PXIAPAXYYZFMPE-TZMCWYRMSA-N 1 3 248.374 1.448 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280570 410754626 /nfs/dbraw/zinc/75/46/26/410754626.db2.gz GLYINBLMFUCLAD-OUAUKWLOSA-N 1 3 202.342 1.373 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](C)C1 ZINC000393862719 410764678 /nfs/dbraw/zinc/76/46/78/410764678.db2.gz KOBDQQQFVFBZOC-MJBXVCDLSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](C)C1 ZINC000393862719 410764682 /nfs/dbraw/zinc/76/46/82/410764682.db2.gz KOBDQQQFVFBZOC-MJBXVCDLSA-N 1 3 242.407 1.665 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000393952845 410771177 /nfs/dbraw/zinc/77/11/77/410771177.db2.gz QVWZUXRWDWVGIJ-QJPTWQEYSA-N 1 3 212.337 1.271 20 0 BDADHO COCC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC000393613664 410749549 /nfs/dbraw/zinc/74/95/49/410749549.db2.gz IBPDQYRSIHPADV-JTQLQIEISA-N 1 3 200.326 1.225 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CC3(F)CC3)C[C@@H]21 ZINC000309420153 410941750 /nfs/dbraw/zinc/94/17/50/410941750.db2.gz XUMCPRMISLXCHB-GARJFASQSA-N 1 3 212.312 1.548 20 0 BDADHO CC[N@H+](C[C@@H]1CCOC1)C[C@H]1CCCNC1 ZINC000300046063 411077590 /nfs/dbraw/zinc/07/75/90/411077590.db2.gz QWJFMBDKMPTJQX-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CC[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCCNC1 ZINC000300046063 411077592 /nfs/dbraw/zinc/07/75/92/411077592.db2.gz QWJFMBDKMPTJQX-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H](C)C[NH2+]CCCN(C)CC(C)C ZINC000651865703 411147910 /nfs/dbraw/zinc/14/79/10/411147910.db2.gz FGFUIEYPEIOKQZ-ZDUSSCGKSA-N 1 3 230.396 1.836 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@H]1CCCOC1 ZINC000651865718 411148174 /nfs/dbraw/zinc/14/81/74/411148174.db2.gz FQQFBDAOBAEHHE-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1noc(C)c1CNCC1CC[NH2+]CC1 ZINC000045949197 411150363 /nfs/dbraw/zinc/15/03/63/411150363.db2.gz KKXZNZMUYMYWBP-UHFFFAOYSA-N 1 3 223.320 1.381 20 0 BDADHO [NH3+]CCCN1CCC[C@H](OC2CCC2)C1 ZINC000655946499 411161267 /nfs/dbraw/zinc/16/12/67/411161267.db2.gz MGOMUSSGZAFDGC-LBPRGKRZSA-N 1 3 212.337 1.369 20 0 BDADHO C[N@H+](CCCN1CCCC1)[C@@H]1COC(C)(C)C1 ZINC000660464388 411172068 /nfs/dbraw/zinc/17/20/68/411172068.db2.gz PAWDSLIAPRWNRR-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO C[N@@H+](CCCN1CCCC1)[C@@H]1COC(C)(C)C1 ZINC000660464388 411172073 /nfs/dbraw/zinc/17/20/73/411172073.db2.gz PAWDSLIAPRWNRR-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)n1cc(CNCCCC[NH+](C)C)nn1 ZINC000336713901 167749543 /nfs/dbraw/zinc/74/95/43/167749543.db2.gz RULMTPQMXSGZND-UHFFFAOYSA-N 1 3 239.367 1.290 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@H]1CCC[NH2+]C1 ZINC000656193855 411199557 /nfs/dbraw/zinc/19/95/57/411199557.db2.gz VZDFAROOTULMAL-STQMWFEESA-N 1 3 233.359 1.602 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000656200297 411203857 /nfs/dbraw/zinc/20/38/57/411203857.db2.gz LBBKVJKNAUCPMO-WDEREUQCSA-N 1 3 212.337 1.273 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2CN)c(C)c1 ZINC000656199752 411204056 /nfs/dbraw/zinc/20/40/56/411204056.db2.gz BXSVYDYFZNUCHT-UKRRQHHQSA-N 1 3 247.386 1.958 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000656199752 411204060 /nfs/dbraw/zinc/20/40/60/411204060.db2.gz BXSVYDYFZNUCHT-UKRRQHHQSA-N 1 3 247.386 1.958 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCCCC[C@H]1N)C1CC1 ZINC000422883713 411233249 /nfs/dbraw/zinc/23/32/49/411233249.db2.gz VKTUNLYJJQJGOE-ZIAGYGMSSA-N 1 3 239.407 1.720 20 0 BDADHO CCN1CCCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422905645 411235276 /nfs/dbraw/zinc/23/52/76/411235276.db2.gz IMSZIKSIPWEXAY-YPMHNXCESA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)[C@H](C)O1 ZINC000423193757 411238264 /nfs/dbraw/zinc/23/82/64/411238264.db2.gz WFAXEEYSKBQQRS-KSSYENDESA-N 1 3 226.364 1.517 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000656792600 411372934 /nfs/dbraw/zinc/37/29/34/411372934.db2.gz TXZWOEGIPVXZME-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C[C@H](C)O1 ZINC000656792600 411372936 /nfs/dbraw/zinc/37/29/36/411372936.db2.gz TXZWOEGIPVXZME-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C[C@H](C)O1 ZINC000656792600 411372937 /nfs/dbraw/zinc/37/29/37/411372937.db2.gz TXZWOEGIPVXZME-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C1CC1[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000656788005 411368291 /nfs/dbraw/zinc/36/82/91/411368291.db2.gz GWADUQOHISSVEP-AVGNSLFASA-N 1 3 208.349 1.907 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]CC1(N)CCCC1 ZINC000656789072 411369592 /nfs/dbraw/zinc/36/95/92/411369592.db2.gz IEZYECJBAYFZHZ-GFCCVEGCSA-N 1 3 228.380 1.909 20 0 BDADHO COC[C@@H](CC(C)C)NCC1([NH3+])CCCC1 ZINC000656789072 411369593 /nfs/dbraw/zinc/36/95/93/411369593.db2.gz IEZYECJBAYFZHZ-GFCCVEGCSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+]CCCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656792156 411371755 /nfs/dbraw/zinc/37/17/55/411371755.db2.gz OOMZNBCICUNZAE-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656792156 411371758 /nfs/dbraw/zinc/37/17/58/411371758.db2.gz OOMZNBCICUNZAE-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000656792156 411371762 /nfs/dbraw/zinc/37/17/62/411371762.db2.gz OOMZNBCICUNZAE-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330365 411338646 /nfs/dbraw/zinc/33/86/46/411338646.db2.gz CXUQZWGXELNXBP-XQHKEYJVSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330365 411338650 /nfs/dbraw/zinc/33/86/50/411338650.db2.gz CXUQZWGXELNXBP-XQHKEYJVSA-N 1 3 226.364 1.484 20 0 BDADHO CC1(C)[C@@H]2CN(C[C@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000261555109 168012184 /nfs/dbraw/zinc/01/21/84/168012184.db2.gz URZTWXFQMHGSRS-NTZNESFSSA-N 1 3 208.349 1.574 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000403485235 411348672 /nfs/dbraw/zinc/34/86/72/411348672.db2.gz UANPTJLPGMHWBC-CLPYTZEMSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCN1 ZINC000403485235 411348680 /nfs/dbraw/zinc/34/86/80/411348680.db2.gz UANPTJLPGMHWBC-CLPYTZEMSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1OCC[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000119913105 168179470 /nfs/dbraw/zinc/17/94/70/168179470.db2.gz XWHDGIPELOSKPD-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO CC1CCN(CCN[C@H]2CCC[NH2+]CC2)CC1 ZINC000129178042 168181689 /nfs/dbraw/zinc/18/16/89/168181689.db2.gz BZQDHNYLKQYHBU-AWEZNQCLSA-N 1 3 239.407 1.450 20 0 BDADHO C[C@H]1CCC[N@H+](CCCF)[C@@H]1CCN ZINC000404305403 411390034 /nfs/dbraw/zinc/39/00/34/411390034.db2.gz RUMMUZWIUMSQLP-WDEREUQCSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1CCC[N@@H+](CCCF)[C@@H]1CCN ZINC000404305403 411390036 /nfs/dbraw/zinc/39/00/36/411390036.db2.gz RUMMUZWIUMSQLP-WDEREUQCSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1CCCN(CCCF)[C@@H]1CC[NH3+] ZINC000404305403 411390039 /nfs/dbraw/zinc/39/00/39/411390039.db2.gz RUMMUZWIUMSQLP-WDEREUQCSA-N 1 3 202.317 1.795 20 0 BDADHO CCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404309023 411390266 /nfs/dbraw/zinc/39/02/66/411390266.db2.gz JMNPKXJPFYBAKE-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404309023 411390267 /nfs/dbraw/zinc/39/02/67/411390267.db2.gz JMNPKXJPFYBAKE-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404309023 411390269 /nfs/dbraw/zinc/39/02/69/411390269.db2.gz JMNPKXJPFYBAKE-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)OCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404360399 411391443 /nfs/dbraw/zinc/39/14/43/411391443.db2.gz DYDWUVATLQFHTA-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404360399 411391445 /nfs/dbraw/zinc/39/14/45/411391445.db2.gz DYDWUVATLQFHTA-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404360399 411391448 /nfs/dbraw/zinc/39/14/48/411391448.db2.gz DYDWUVATLQFHTA-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO COCCOCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404384934 411392282 /nfs/dbraw/zinc/39/22/82/411392282.db2.gz NWOVVTMSFZSPSD-QWHCGFSZSA-N 1 3 244.379 1.099 20 0 BDADHO CC[C@H]1C[C@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000657285434 411444060 /nfs/dbraw/zinc/44/40/60/411444060.db2.gz FPRXKFMTBRFMPY-RYUDHWBXSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@]1(CNCCc2ccccc2)CC[NH2+]C1 ZINC000415088840 411490716 /nfs/dbraw/zinc/49/07/16/411490716.db2.gz VRVYPNSQSWPPCS-CQSZACIVSA-N 1 3 218.344 1.818 20 0 BDADHO CCc1nocc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824140 411526512 /nfs/dbraw/zinc/52/65/12/411526512.db2.gz GELSPTHQCRJEFI-KLPPZKSPSA-N 1 3 237.347 1.667 20 0 BDADHO CCN1CC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000085590815 170007940 /nfs/dbraw/zinc/00/79/40/170007940.db2.gz UORDSATTXYUXBQ-ZDUSSCGKSA-N 1 3 221.348 1.457 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000037484179 170008602 /nfs/dbraw/zinc/00/86/02/170008602.db2.gz RJRLWDIKSXCHEW-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336707055 170015298 /nfs/dbraw/zinc/01/52/98/170015298.db2.gz RPRVFHYHXXNLFY-LLVKDONJSA-N 1 3 228.405 1.813 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367596088 170016477 /nfs/dbraw/zinc/01/64/77/170016477.db2.gz DBDLQSPWQDWUHS-YPMHNXCESA-N 1 3 248.374 1.719 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCN(C)C)C1 ZINC000309958783 170038973 /nfs/dbraw/zinc/03/89/73/170038973.db2.gz JYJUHKZTQMTMRO-RWMBFGLXSA-N 1 3 227.396 1.256 20 0 BDADHO CC[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000032024427 170127047 /nfs/dbraw/zinc/12/70/47/170127047.db2.gz ZOZDLEOEGDSQIU-UHFFFAOYSA-N 1 3 222.332 1.737 20 0 BDADHO CCOC(=O)[C@@H](CC)N1CCC[C@@H](CC[NH3+])C1 ZINC000227082875 170250388 /nfs/dbraw/zinc/25/03/88/170250388.db2.gz BITQYMXXLXTMAY-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345873 411633882 /nfs/dbraw/zinc/63/38/82/411633882.db2.gz NDQPFBGKYNVRGH-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345873 411633888 /nfs/dbraw/zinc/63/38/88/411633888.db2.gz NDQPFBGKYNVRGH-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663345873 411633893 /nfs/dbraw/zinc/63/38/93/411633893.db2.gz NDQPFBGKYNVRGH-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000660416040 411582001 /nfs/dbraw/zinc/58/20/01/411582001.db2.gz NFWBPGAHXZEOBN-CHWSQXEVSA-N 1 3 244.379 1.064 20 0 BDADHO COC[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000660416040 411582003 /nfs/dbraw/zinc/58/20/03/411582003.db2.gz NFWBPGAHXZEOBN-CHWSQXEVSA-N 1 3 244.379 1.064 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842015 411610041 /nfs/dbraw/zinc/61/00/41/411610041.db2.gz SHWPLYKPDVQJAR-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657842015 411610042 /nfs/dbraw/zinc/61/00/42/411610042.db2.gz SHWPLYKPDVQJAR-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657842015 411610043 /nfs/dbraw/zinc/61/00/43/411610043.db2.gz SHWPLYKPDVQJAR-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000657843463 411610448 /nfs/dbraw/zinc/61/04/48/411610448.db2.gz ZCRGDJXCLORUNG-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659191 411614247 /nfs/dbraw/zinc/61/42/47/411614247.db2.gz NLYSBKXYQBSYSD-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659191 411614249 /nfs/dbraw/zinc/61/42/49/411614249.db2.gz NLYSBKXYQBSYSD-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@@H](CN1CCC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000660663665 411615693 /nfs/dbraw/zinc/61/56/93/411615693.db2.gz OUCXPZJPQSKLDH-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](CN1CCC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663665 411615695 /nfs/dbraw/zinc/61/56/95/411615695.db2.gz OUCXPZJPQSKLDH-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H](C)CC1CCOCC1 ZINC000663512093 411694707 /nfs/dbraw/zinc/69/47/07/411694707.db2.gz FHYDBRYJKDZTPR-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H](O)[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000661765736 411875538 /nfs/dbraw/zinc/87/55/38/411875538.db2.gz PLTVFKBLZVYCSV-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953934 /nfs/dbraw/zinc/95/39/34/411953934.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953940 /nfs/dbraw/zinc/95/39/40/411953940.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953945 /nfs/dbraw/zinc/95/39/45/411953945.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662034516 411953949 /nfs/dbraw/zinc/95/39/49/411953949.db2.gz NPRIXJHNLGYKKI-MELADBBJSA-N 1 3 238.375 1.439 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H](OC)C2CCC2)C1 ZINC000662236143 412034970 /nfs/dbraw/zinc/03/49/70/412034970.db2.gz DADKHVNSTSXLIT-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](N)C1 ZINC000662241032 412037865 /nfs/dbraw/zinc/03/78/65/412037865.db2.gz PMVYBKUMMIJAGJ-DTWKUNHWSA-N 1 3 206.280 1.701 20 0 BDADHO CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](N)C1 ZINC000662241032 412037869 /nfs/dbraw/zinc/03/78/69/412037869.db2.gz PMVYBKUMMIJAGJ-DTWKUNHWSA-N 1 3 206.280 1.701 20 0 BDADHO CCc1nocc1CN1CCC(C[NH2+]C)CC1 ZINC000662247731 412044581 /nfs/dbraw/zinc/04/45/81/412044581.db2.gz ZIXSZGPWBUYFCH-UHFFFAOYSA-N 1 3 237.347 1.668 20 0 BDADHO CO[C@@H](CN[C@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247918 412045001 /nfs/dbraw/zinc/04/50/01/412045001.db2.gz OOLZQCHHECSPLW-QWHCGFSZSA-N 1 3 226.364 1.519 20 0 BDADHO CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249659 412047178 /nfs/dbraw/zinc/04/71/78/412047178.db2.gz RQUZQZVPCSJBKC-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249659 412047183 /nfs/dbraw/zinc/04/71/83/412047183.db2.gz RQUZQZVPCSJBKC-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO CCCC[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662252233 412050167 /nfs/dbraw/zinc/05/01/67/412050167.db2.gz MXNKWVQXAIOFQN-ZDUSSCGKSA-N 1 3 238.375 1.772 20 0 BDADHO CCCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662252233 412050169 /nfs/dbraw/zinc/05/01/69/412050169.db2.gz MXNKWVQXAIOFQN-ZDUSSCGKSA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCN1CCNCC1 ZINC000136184954 171037789 /nfs/dbraw/zinc/03/77/89/171037789.db2.gz AMILAOBJIQSWRT-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@H+]1CCN1CCNCC1 ZINC000136184954 171037792 /nfs/dbraw/zinc/03/77/92/171037792.db2.gz AMILAOBJIQSWRT-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N)C2)CCO1 ZINC000346083263 171119676 /nfs/dbraw/zinc/11/96/76/171119676.db2.gz QSUKYNCTVXFONZ-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N)C2)CCO1 ZINC000346083263 171119680 /nfs/dbraw/zinc/11/96/80/171119680.db2.gz QSUKYNCTVXFONZ-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCNCC1(C)C)C1CCC1 ZINC000662275534 412067960 /nfs/dbraw/zinc/06/79/60/412067960.db2.gz BVXAROKVTMWQGG-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](CN[C@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275534 412067963 /nfs/dbraw/zinc/06/79/63/412067963.db2.gz BVXAROKVTMWQGG-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO CCC[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662279059 412071138 /nfs/dbraw/zinc/07/11/38/412071138.db2.gz FKGDUHNVEMCOHB-GFCCVEGCSA-N 1 3 224.348 1.382 20 0 BDADHO CCC[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662279059 412071140 /nfs/dbraw/zinc/07/11/40/412071140.db2.gz FKGDUHNVEMCOHB-GFCCVEGCSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCC2(CNC2)O1)c1ccccc1 ZINC000662281011 412072380 /nfs/dbraw/zinc/07/23/80/412072380.db2.gz HGYFVHNUXDSYMF-OCCSQVGLSA-N 1 3 246.354 1.858 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680106 171395209 /nfs/dbraw/zinc/39/52/09/171395209.db2.gz FYDBLLLSVHWVDL-SRVKXCTJSA-N 1 3 243.395 1.206 20 0 BDADHO C[NH2+]CCCN1CCCC[C@@H]1[C@@H](C)CO ZINC000662302127 412088424 /nfs/dbraw/zinc/08/84/24/412088424.db2.gz XDLLNMGCYXPBHG-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000662302127 412088429 /nfs/dbraw/zinc/08/84/29/412088429.db2.gz XDLLNMGCYXPBHG-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000662302127 412088430 /nfs/dbraw/zinc/08/84/30/412088430.db2.gz XDLLNMGCYXPBHG-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO COc1ccc(CC[N@@H+]2CC3CC2(CN)C3)cc1 ZINC000662308668 412093114 /nfs/dbraw/zinc/09/31/14/412093114.db2.gz XWDOGLOCQRFUJU-UHFFFAOYSA-N 1 3 246.354 1.661 20 0 BDADHO COc1ccc(CC[N@H+]2CC3CC2(CN)C3)cc1 ZINC000662308668 412093115 /nfs/dbraw/zinc/09/31/15/412093115.db2.gz XWDOGLOCQRFUJU-UHFFFAOYSA-N 1 3 246.354 1.661 20 0 BDADHO FCC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000662312186 412094594 /nfs/dbraw/zinc/09/45/94/412094594.db2.gz XAZLQCWLYBTLIF-NEPJUHHUSA-N 1 3 214.328 1.668 20 0 BDADHO Cc1ccncc1CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665238690 412178996 /nfs/dbraw/zinc/17/89/96/412178996.db2.gz ALSLZMABALRQRI-DZGCQCFKSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000665238690 412178997 /nfs/dbraw/zinc/17/89/97/412178997.db2.gz ALSLZMABALRQRI-DZGCQCFKSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000665239718 412179039 /nfs/dbraw/zinc/17/90/39/412179039.db2.gz XZOXLIAMJGXKEF-CHWSQXEVSA-N 1 3 219.332 1.402 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000665239616 412180776 /nfs/dbraw/zinc/18/07/76/412180776.db2.gz WAABFBOXAZDVAD-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000665239616 412180780 /nfs/dbraw/zinc/18/07/80/412180780.db2.gz WAABFBOXAZDVAD-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO C1C[C@H]([NH2+][C@H]2CCC[C@H]([C@@H]3CCOC3)C2)CN1 ZINC000665242159 412184346 /nfs/dbraw/zinc/18/43/46/412184346.db2.gz MGHJNHAPLLYXMD-CRWXNKLISA-N 1 3 238.375 1.533 20 0 BDADHO FCCC[C@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000665241470 412184642 /nfs/dbraw/zinc/18/46/42/412184642.db2.gz NLKILTPBWONLSC-GRYCIOLGSA-N 1 3 214.328 1.856 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665244879 412189742 /nfs/dbraw/zinc/18/97/42/412189742.db2.gz YTTYLMAJYFGYSP-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000662555929 412215774 /nfs/dbraw/zinc/21/57/74/412215774.db2.gz YEHLQVAUNWCKKE-LLVKDONJSA-N 1 3 221.304 1.082 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000665230965 412167190 /nfs/dbraw/zinc/16/71/90/412167190.db2.gz ZMGICQZRBJOSTJ-CMOBGSAGSA-N 1 3 226.364 1.661 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000665230968 412167379 /nfs/dbraw/zinc/16/73/79/412167379.db2.gz ZMGICQZRBJOSTJ-ZFQMDJOTSA-N 1 3 226.364 1.661 20 0 BDADHO COC1CC(CC[NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000665229772 412169090 /nfs/dbraw/zinc/16/90/90/412169090.db2.gz CHOBACVEXJFRDT-JYBOHDQNSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccn1 ZINC000665232632 412169476 /nfs/dbraw/zinc/16/94/76/412169476.db2.gz QPYRGZBCDAYYFG-NQBHXWOUSA-N 1 3 219.332 1.655 20 0 BDADHO C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235867 412174115 /nfs/dbraw/zinc/17/41/15/412174115.db2.gz BHNAJXZDMXYBRG-UPJWGTAASA-N 1 3 239.407 1.589 20 0 BDADHO Cc1cncc(CCN[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665273676 412216196 /nfs/dbraw/zinc/21/61/96/412216196.db2.gz BNLIITLHDFBOMH-DGCLKSJQSA-N 1 3 234.347 1.045 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2CN)n1 ZINC000665273676 412216200 /nfs/dbraw/zinc/21/62/00/412216200.db2.gz BNLIITLHDFBOMH-DGCLKSJQSA-N 1 3 234.347 1.045 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C1CCCC1 ZINC000665275205 412218555 /nfs/dbraw/zinc/21/85/55/412218555.db2.gz FFIBBJZQQOCHCN-NQBHXWOUSA-N 1 3 228.380 1.907 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C1CCCC1 ZINC000665275206 412219482 /nfs/dbraw/zinc/21/94/82/412219482.db2.gz FFIBBJZQQOCHCN-NTZNESFSSA-N 1 3 228.380 1.907 20 0 BDADHO COCCC[C@H](C)[NH2+]CC12CC(C1)CN2 ZINC000665278273 412220822 /nfs/dbraw/zinc/22/08/22/412220822.db2.gz ZZJXCUIXXFDPQT-UNXYVOJBSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)C1CC([NH2+]CC23CC(C2)CN3)C1 ZINC000665279897 412225426 /nfs/dbraw/zinc/22/54/26/412225426.db2.gz ORVJPIOUHYVDKA-UHFFFAOYSA-N 1 3 208.349 1.763 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@H](C)C1CCSCC1 ZINC000665297952 412244215 /nfs/dbraw/zinc/24/42/15/412244215.db2.gz PAJVBALAMSJBOO-NXEZZACHSA-N 1 3 216.394 1.716 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOCCF ZINC000665298997 412248035 /nfs/dbraw/zinc/24/80/35/412248035.db2.gz DQCGHZDQONEKSB-QWRGUYRKSA-N 1 3 218.316 1.080 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOCCF ZINC000665298997 412248039 /nfs/dbraw/zinc/24/80/39/412248039.db2.gz DQCGHZDQONEKSB-QWRGUYRKSA-N 1 3 218.316 1.080 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(CN)nc1C ZINC000665299509 412248227 /nfs/dbraw/zinc/24/82/27/412248227.db2.gz OKJTXLNRHCPACW-VHSXEESVSA-N 1 3 236.363 1.107 20 0 BDADHO CCN1CC[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000133034604 412392264 /nfs/dbraw/zinc/39/22/64/412392264.db2.gz QYADTXJATSSEKQ-OAHLLOKOSA-N 1 3 248.370 1.610 20 0 BDADHO CCc1nocc1CNCCCC[NH+](C)C ZINC000339215210 172100039 /nfs/dbraw/zinc/10/00/39/172100039.db2.gz SLPJAEOMPYWSRS-UHFFFAOYSA-N 1 3 225.336 1.668 20 0 BDADHO CCn1cc(CNCC2CC[NH+](C)CC2)cn1 ZINC000050539767 172170971 /nfs/dbraw/zinc/17/09/71/172170971.db2.gz KBOYFLPDJLGZKZ-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO CCn1nccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000160235317 172265764 /nfs/dbraw/zinc/26/57/64/172265764.db2.gz OGCLUBCJDARIRU-LBPRGKRZSA-N 1 3 236.363 1.464 20 0 BDADHO CN(C)CCOc1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC000094079797 172472761 /nfs/dbraw/zinc/47/27/61/172472761.db2.gz BXXVKEAEOTYRJY-CYBMUJFWSA-N 1 3 249.358 1.401 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@]12CCOC2 ZINC000341977903 173028118 /nfs/dbraw/zinc/02/81/18/173028118.db2.gz WRFVLKWOLIHLJA-ZIAGYGMSSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@]12CCOC2 ZINC000341977903 173028121 /nfs/dbraw/zinc/02/81/21/173028121.db2.gz WRFVLKWOLIHLJA-ZIAGYGMSSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@](O)(C2CC2)C1 ZINC000370085601 173054046 /nfs/dbraw/zinc/05/40/46/173054046.db2.gz WJSCDZYDKCGXHS-UONOGXRCSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CC[C@](O)(C2CC2)C1 ZINC000370085601 173054047 /nfs/dbraw/zinc/05/40/47/173054047.db2.gz WJSCDZYDKCGXHS-UONOGXRCSA-N 1 3 238.375 1.318 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000368606788 173151736 /nfs/dbraw/zinc/15/17/36/173151736.db2.gz FVVPJHFFGTVOPR-KKUMJFAQSA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368606788 173151738 /nfs/dbraw/zinc/15/17/38/173151738.db2.gz FVVPJHFFGTVOPR-KKUMJFAQSA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000368606788 173151742 /nfs/dbraw/zinc/15/17/42/173151742.db2.gz FVVPJHFFGTVOPR-KKUMJFAQSA-N 1 3 247.386 1.988 20 0 BDADHO Cn1nccc1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367616169 173152371 /nfs/dbraw/zinc/15/23/71/173152371.db2.gz LJMKKGUEXORFJX-HZSPNIEDSA-N 1 3 248.374 1.383 20 0 BDADHO C[NH2+]C1CCN(C[C@H]2CCCOC2)CC1 ZINC000044981995 173322606 /nfs/dbraw/zinc/32/26/06/173322606.db2.gz DSXCRIOWPUWFOH-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CNC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000044981995 173322608 /nfs/dbraw/zinc/32/26/08/173322608.db2.gz DSXCRIOWPUWFOH-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000051756193 173338819 /nfs/dbraw/zinc/33/88/19/173338819.db2.gz TUKXSTPEUJNMCI-UHFFFAOYSA-N 1 3 219.332 1.513 20 0 BDADHO C[NH2+]CCCN(CCCO)CC(C)(C)C ZINC000336664644 173346747 /nfs/dbraw/zinc/34/67/47/173346747.db2.gz DXNAFFUQCNQRKI-UHFFFAOYSA-N 1 3 216.369 1.326 20 0 BDADHO CNCCC[N@H+](CCCO)CC(C)(C)C ZINC000336664644 173346748 /nfs/dbraw/zinc/34/67/48/173346748.db2.gz DXNAFFUQCNQRKI-UHFFFAOYSA-N 1 3 216.369 1.326 20 0 BDADHO CNCCC[N@@H+](CCCO)CC(C)(C)C ZINC000336664644 173346749 /nfs/dbraw/zinc/34/67/49/173346749.db2.gz DXNAFFUQCNQRKI-UHFFFAOYSA-N 1 3 216.369 1.326 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@H]2CCCOC2)C1 ZINC000250744778 173379178 /nfs/dbraw/zinc/37/91/78/173379178.db2.gz NQYSYHOCEJEYKG-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250744778 173379179 /nfs/dbraw/zinc/37/91/79/173379179.db2.gz NQYSYHOCEJEYKG-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250744778 173379180 /nfs/dbraw/zinc/37/91/80/173379180.db2.gz NQYSYHOCEJEYKG-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](N)C(C)(C)C)c1 ZINC000237107483 173389941 /nfs/dbraw/zinc/38/99/41/173389941.db2.gz SFIVLMNASBPLRF-GFCCVEGCSA-N 1 3 249.358 1.718 20 0 BDADHO COC1CC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000336763117 174020406 /nfs/dbraw/zinc/02/04/06/174020406.db2.gz LYZODQQINQNOAQ-GMKTYKIGSA-N 1 3 226.364 1.626 20 0 BDADHO COC1CC(N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000336763117 174020409 /nfs/dbraw/zinc/02/04/09/174020409.db2.gz LYZODQQINQNOAQ-GMKTYKIGSA-N 1 3 226.364 1.626 20 0 BDADHO COC1CCC([N@H+](C)C[C@H]2CCCNC2)CC1 ZINC000226438417 174021219 /nfs/dbraw/zinc/02/12/19/174021219.db2.gz IHHUTFQFFXOWLU-HSBZDZAISA-N 1 3 240.391 1.875 20 0 BDADHO COC1CCC([N@@H+](C)C[C@H]2CCCNC2)CC1 ZINC000226438417 174021221 /nfs/dbraw/zinc/02/12/21/174021221.db2.gz IHHUTFQFFXOWLU-HSBZDZAISA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CCCOCC2)C1 ZINC000401641493 487629037 /nfs/dbraw/zinc/62/90/37/487629037.db2.gz HYXIGUYALPHDHE-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000128847981 175092250 /nfs/dbraw/zinc/09/22/50/175092250.db2.gz UTVBQSBRQWKRAQ-AWEZNQCLSA-N 1 3 248.370 1.969 20 0 BDADHO COc1ccc(CC[NH2+][C@H]2CCCNCC2)cc1 ZINC000128847981 175092252 /nfs/dbraw/zinc/09/22/52/175092252.db2.gz UTVBQSBRQWKRAQ-AWEZNQCLSA-N 1 3 248.370 1.969 20 0 BDADHO COc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000037713230 175177416 /nfs/dbraw/zinc/17/74/16/175177416.db2.gz DTKQRZHJUCQVLG-SNVBAGLBSA-N 1 3 208.305 1.695 20 0 BDADHO COc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000309343158 175188003 /nfs/dbraw/zinc/18/80/03/175188003.db2.gz LNSXJPADLLOVNN-QWRGUYRKSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H]1CCC[C@@H](CN(C)C[C@H](O)C[NH3+])C1 ZINC000336766000 176117635 /nfs/dbraw/zinc/11/76/35/176117635.db2.gz RRTVQAPNOBEAIV-IJLUTSLNSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000309750772 176212208 /nfs/dbraw/zinc/21/22/08/176212208.db2.gz GPZUJKFRPLYJHF-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CN(C)CCN1CCC1CC[NH2+]CC1 ZINC000235472935 176266724 /nfs/dbraw/zinc/26/67/24/176266724.db2.gz RXNCCEYZWMKPIZ-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)N(C)C ZINC000036908111 176278205 /nfs/dbraw/zinc/27/82/05/176278205.db2.gz DZOSUHWCFLDIIK-UPJWGTAASA-N 1 3 241.423 1.645 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)C ZINC000038087813 176278239 /nfs/dbraw/zinc/27/82/39/176278239.db2.gz XMVYJXFRDBCHPA-FDYHWXHSSA-N 1 3 227.396 1.255 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000351796732 176293484 /nfs/dbraw/zinc/29/34/84/176293484.db2.gz XTCZTOKQNDFKMQ-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000351796732 176293485 /nfs/dbraw/zinc/29/34/85/176293485.db2.gz XTCZTOKQNDFKMQ-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000235323344 176294672 /nfs/dbraw/zinc/29/46/72/176294672.db2.gz JHCGBMNTONWLLS-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1N ZINC000235323344 176294674 /nfs/dbraw/zinc/29/46/74/176294674.db2.gz JHCGBMNTONWLLS-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1N ZINC000235323344 176294676 /nfs/dbraw/zinc/29/46/76/176294676.db2.gz JHCGBMNTONWLLS-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000309657742 176344457 /nfs/dbraw/zinc/34/44/57/176344457.db2.gz AHOMNORDUJCSIM-DGCLKSJQSA-N 1 3 224.348 1.263 20 0 BDADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(N)=[NH2+])C1 ZINC000303252845 176361060 /nfs/dbraw/zinc/36/10/60/176361060.db2.gz CCHHICYQEBFFCK-NXEZZACHSA-N 1 3 226.368 1.226 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)[C@@H]1C ZINC000309509191 176375053 /nfs/dbraw/zinc/37/50/53/176375053.db2.gz WTUGMAIZUCCEPY-IJLUTSLNSA-N 1 3 226.364 1.077 20 0 BDADHO C[C@H](O)[C@@H]1CCCCN1CC[C@H]1CCC[N@@H+]1C ZINC000336679959 177008618 /nfs/dbraw/zinc/00/86/18/177008618.db2.gz CHYPEJYCABLDJB-MJBXVCDLSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H](O)[C@@H]1CCCCN1CC[C@H]1CCC[N@H+]1C ZINC000336679959 177008620 /nfs/dbraw/zinc/00/86/20/177008620.db2.gz CHYPEJYCABLDJB-MJBXVCDLSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H]1CN(CCCCCF)CC[C@@H]1[NH3+] ZINC000336678100 177248752 /nfs/dbraw/zinc/24/87/52/177248752.db2.gz DWBVGVGAMCJXDS-QWRGUYRKSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H](C)N1C ZINC000336895411 177254398 /nfs/dbraw/zinc/25/43/98/177254398.db2.gz YTMXSEOBRQHTEK-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H](C)N1C ZINC000336895411 177254401 /nfs/dbraw/zinc/25/44/01/177254401.db2.gz YTMXSEOBRQHTEK-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@H]1COCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000309657752 177296223 /nfs/dbraw/zinc/29/62/23/177296223.db2.gz AHOMNORDUJCSIM-WCQYABFASA-N 1 3 224.348 1.263 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000251630637 177302012 /nfs/dbraw/zinc/30/20/12/177302012.db2.gz IJCXMGYUXOSRLV-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCOCCN(C)C)C[C@@H](C)C1 ZINC000300421192 177317924 /nfs/dbraw/zinc/31/79/24/177317924.db2.gz IUWNCHNHSAZBGT-WDNDVIMCSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccsc1 ZINC000126717761 177325056 /nfs/dbraw/zinc/32/50/56/177325056.db2.gz GYPUCNSCKUJHPE-ONGXEEELSA-N 1 3 210.346 1.917 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000041159186 177371927 /nfs/dbraw/zinc/37/19/27/177371927.db2.gz UWIPOCBEIDRAGZ-MDZLAQPJSA-N 1 3 236.363 1.238 20 0 BDADHO C[C@]1(C(=O)Nc2ccc(C[NH3+])cc2)CCCCN1 ZINC000131328905 177456922 /nfs/dbraw/zinc/45/69/22/177456922.db2.gz KAQVNCNQHZVJMA-CQSZACIVSA-N 1 3 247.342 1.616 20 0 BDADHO CC1(CN2CCCO[C@H](C[NH3+])C2)CCC1 ZINC000313349089 487640641 /nfs/dbraw/zinc/64/06/41/487640641.db2.gz UWNDDIDGDVEABE-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO CN1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226011764 487643918 /nfs/dbraw/zinc/64/39/18/487643918.db2.gz XSHMJWSYGFSMPP-NILFDRSVSA-N 1 3 245.370 1.815 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCOC2)C[C@@H]1CN ZINC000400554434 226346245 /nfs/dbraw/zinc/34/62/45/226346245.db2.gz PHWRKRNXRNUGQX-RFGFWPKPSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCOC2)C[C@@H]1CN ZINC000400554434 226346246 /nfs/dbraw/zinc/34/62/46/226346246.db2.gz PHWRKRNXRNUGQX-RFGFWPKPSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H](NCCC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000402005455 226363899 /nfs/dbraw/zinc/36/38/99/226363899.db2.gz QJWCYJUMVYYGKB-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO c1ccc(OCCCC[NH2+][C@H]2CCNC2)cc1 ZINC000507369130 226368485 /nfs/dbraw/zinc/36/84/85/226368485.db2.gz RNXHIAOTGLOQBX-ZDUSSCGKSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@@H](NC(=O)C[C@H]1NCc2ccccc21)[C@H](C)[NH3+] ZINC000662568287 487660943 /nfs/dbraw/zinc/66/09/43/487660943.db2.gz QSYCHHXWOYNPFZ-OPQQBVKSSA-N 1 3 247.342 1.073 20 0 BDADHO CC(C)[C@@H]1CCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756125 487670550 /nfs/dbraw/zinc/67/05/50/487670550.db2.gz KPTIDDAUEIVKHL-ZIAGYGMSSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756125 487670553 /nfs/dbraw/zinc/67/05/53/487670553.db2.gz KPTIDDAUEIVKHL-ZIAGYGMSSA-N 1 3 242.407 1.665 20 0 BDADHO FCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000671683555 487688742 /nfs/dbraw/zinc/68/87/42/487688742.db2.gz PRCGERVSFJPVIS-UHFFFAOYSA-N 1 3 237.322 1.953 20 0 BDADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C12CC(C1)CO2 ZINC000527532220 262853048 /nfs/dbraw/zinc/85/30/48/262853048.db2.gz KSRKELWSLZVQHP-FMNWTUGISA-N 1 3 222.332 1.038 20 0 BDADHO O[C@H](CNCCC1=CCCC1)C[NH+]1CCCC1 ZINC000228673564 487707408 /nfs/dbraw/zinc/70/74/08/487707408.db2.gz AENNNPQDKOXNAQ-CQSZACIVSA-N 1 3 238.375 1.533 20 0 BDADHO CC1(C)[C@H](C(F)(F)F)CCN1CCC[NH3+] ZINC000336713082 487719771 /nfs/dbraw/zinc/71/97/71/487719771.db2.gz VJBBGDVQFOVGDP-MRVPVSSYSA-N 1 3 224.270 1.998 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228847354 487737189 /nfs/dbraw/zinc/73/71/89/487737189.db2.gz FZPVMMZROJMQDS-CHWFTXMASA-N 1 3 212.337 1.005 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000228847354 487737190 /nfs/dbraw/zinc/73/71/90/487737190.db2.gz FZPVMMZROJMQDS-CHWFTXMASA-N 1 3 212.337 1.005 20 0 BDADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H](N)c1ccccc1 ZINC000289300135 487747404 /nfs/dbraw/zinc/74/74/04/487747404.db2.gz RZPAKIABZLGOTN-KGYLQXTDSA-N 1 3 247.342 1.025 20 0 BDADHO CC[C@H](C(N)=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335395856 487793879 /nfs/dbraw/zinc/79/38/79/487793879.db2.gz LVILEXZDFSBNNV-SNVBAGLBSA-N 1 3 225.336 1.376 20 0 BDADHO CC[C@H]1CCN(C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242871 487806062 /nfs/dbraw/zinc/80/60/62/487806062.db2.gz LDYHAHBALMJDTE-QWHCGFSZSA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@H]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242871 487806065 /nfs/dbraw/zinc/80/60/65/487806065.db2.gz LDYHAHBALMJDTE-QWHCGFSZSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)(C)[C@@H]1CCN(CCC[NH3+])C[C@@H]1O ZINC000414755680 487821401 /nfs/dbraw/zinc/82/14/01/487821401.db2.gz ICYJUMAPIBTHMK-MNOVXSKESA-N 1 3 214.353 1.064 20 0 BDADHO C[C@H]1C[C@@H](c2cccnc2)N(CCC[NH3+])C1 ZINC000414748519 487821718 /nfs/dbraw/zinc/82/17/18/487821718.db2.gz WRDYGDWUMHDZGH-AAEUAGOBSA-N 1 3 219.332 1.813 20 0 BDADHO [NH3+]CCCNCCc1cnn(-c2ccccc2)c1 ZINC000415079158 487836494 /nfs/dbraw/zinc/83/64/94/487836494.db2.gz HRIKYTICHIFGBI-UHFFFAOYSA-N 1 3 244.342 1.353 20 0 BDADHO NCCC[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000415079158 487836501 /nfs/dbraw/zinc/83/65/01/487836501.db2.gz HRIKYTICHIFGBI-UHFFFAOYSA-N 1 3 244.342 1.353 20 0 BDADHO CCCC[C@@H](CC)CC[N@H+](C)C[C@@H](O)CN ZINC000415073876 487836638 /nfs/dbraw/zinc/83/66/38/487836638.db2.gz ZAWXBHTUOKYVFL-OLZOCXBDSA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@@H](CC)CC[N@@H+](C)C[C@@H](O)CN ZINC000415073876 487836644 /nfs/dbraw/zinc/83/66/44/487836644.db2.gz ZAWXBHTUOKYVFL-OLZOCXBDSA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@@H](CC)CCN(C)C[C@@H](O)C[NH3+] ZINC000415073876 487836648 /nfs/dbraw/zinc/83/66/48/487836648.db2.gz ZAWXBHTUOKYVFL-OLZOCXBDSA-N 1 3 230.396 1.844 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489459913 528498748 /nfs/dbraw/zinc/49/87/48/528498748.db2.gz AFMSNLYCFDSYPO-JOYOIKCWSA-N 1 3 235.331 1.628 20 0 BDADHO CC(C)(CO)[C@H](NCCC[NH3+])c1ccccc1 ZINC000415094188 487837275 /nfs/dbraw/zinc/83/72/75/487837275.db2.gz DGWQAWYCQBIEEX-CYBMUJFWSA-N 1 3 236.359 1.685 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H](C)COC)CC[C@@H]1N ZINC000253110288 487851175 /nfs/dbraw/zinc/85/11/75/487851175.db2.gz GAWKFIDWUXGHQU-TUAOUCFPSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H](C)COC)CC[C@@H]1N ZINC000253110288 487851179 /nfs/dbraw/zinc/85/11/79/487851179.db2.gz GAWKFIDWUXGHQU-TUAOUCFPSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1CN(C[C@H](C)COC)CC[C@@H]1[NH3+] ZINC000253110288 487851185 /nfs/dbraw/zinc/85/11/85/487851185.db2.gz GAWKFIDWUXGHQU-TUAOUCFPSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc2cnccc2c1 ZINC000666826700 487887014 /nfs/dbraw/zinc/88/70/14/487887014.db2.gz RKDPAWFTJFGTEE-NSHDSACASA-N 1 3 229.327 1.919 20 0 BDADHO C[C@@H](CC1CCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000666965374 487896405 /nfs/dbraw/zinc/89/64/05/487896405.db2.gz BMKDYHRMQQPQMP-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](CC1CCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000666965376 487896433 /nfs/dbraw/zinc/89/64/33/487896433.db2.gz BMKDYHRMQQPQMP-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)[C@@H](C)C1 ZINC000666947805 487912492 /nfs/dbraw/zinc/91/24/92/487912492.db2.gz IRJSNLRGAOPMBI-CYDGBPFRSA-N 1 3 243.370 1.006 20 0 BDADHO C[C@@H]1CN(CCC[NH3+])CCN1Cc1ccccc1 ZINC000396348401 487914659 /nfs/dbraw/zinc/91/46/59/487914659.db2.gz FEMXWXHZDPAMCE-CQSZACIVSA-N 1 3 247.386 1.542 20 0 BDADHO C[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)[C@H]1CCN ZINC000404296086 487916644 /nfs/dbraw/zinc/91/66/44/487916644.db2.gz DAKVIQLEJWDDIF-MCIONIFRSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)[C@H]1CCN ZINC000404296086 487916651 /nfs/dbraw/zinc/91/66/51/487916651.db2.gz DAKVIQLEJWDDIF-MCIONIFRSA-N 1 3 240.391 1.862 20 0 BDADHO COCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404296307 487917287 /nfs/dbraw/zinc/91/72/87/487917287.db2.gz NZYGJVJYSQZYJF-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404296307 487917292 /nfs/dbraw/zinc/91/72/92/487917292.db2.gz NZYGJVJYSQZYJF-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO COCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404296307 487917296 /nfs/dbraw/zinc/91/72/96/487917296.db2.gz NZYGJVJYSQZYJF-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404296310 487917340 /nfs/dbraw/zinc/91/73/40/487917340.db2.gz NZYGJVJYSQZYJF-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404296310 487917344 /nfs/dbraw/zinc/91/73/44/487917344.db2.gz NZYGJVJYSQZYJF-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO COCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404296310 487917349 /nfs/dbraw/zinc/91/73/49/487917349.db2.gz NZYGJVJYSQZYJF-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CS1 ZINC000306873752 323032516 /nfs/dbraw/zinc/03/25/16/323032516.db2.gz YHVBKUSZKZTBLS-RCWTZXSCSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CS1 ZINC000306873752 323032517 /nfs/dbraw/zinc/03/25/17/323032517.db2.gz YHVBKUSZKZTBLS-RCWTZXSCSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@]1(CN2CCC(CCO)CC2)CC[NH2+]C1 ZINC000570396386 323058393 /nfs/dbraw/zinc/05/83/93/323058393.db2.gz JTQNBZNIJFZKSD-CYBMUJFWSA-N 1 3 226.364 1.080 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000570638199 323065769 /nfs/dbraw/zinc/06/57/69/323065769.db2.gz NZNNEFSTVDZNMQ-LOWDOPEQSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)COCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397301879 323090321 /nfs/dbraw/zinc/09/03/21/323090321.db2.gz KRWQRTRINBFFTJ-MCIONIFRSA-N 1 3 242.407 1.964 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CCCC[NH3+])c1 ZINC000563113329 323093173 /nfs/dbraw/zinc/09/31/73/323093173.db2.gz PDEFFQQZWKJQGN-UHFFFAOYSA-N 1 3 235.331 1.521 20 0 BDADHO Cc1ncncc1[C@H](C)NCC1CC[NH+](C)CC1 ZINC000563419246 323123855 /nfs/dbraw/zinc/12/38/55/323123855.db2.gz SGHCOPVVIMXSTC-NSHDSACASA-N 1 3 248.374 1.777 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000563446104 323126200 /nfs/dbraw/zinc/12/62/00/323126200.db2.gz VKCRTIQBAVVYIQ-VHDGCEQUSA-N 1 3 248.370 1.614 20 0 BDADHO C[C@@H](Cc1ccsc1)NC[C@@H](O)C[NH+](C)C ZINC000049181702 323158595 /nfs/dbraw/zinc/15/85/95/323158595.db2.gz WVKNHRIIIOBUSN-CMPLNLGQSA-N 1 3 242.388 1.191 20 0 BDADHO CC(C)[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000531978920 323162108 /nfs/dbraw/zinc/16/21/08/323162108.db2.gz HHPRHMZEZDIKDC-CYBMUJFWSA-N 1 3 240.391 1.467 20 0 BDADHO Cc1nc(CCN[C@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000563735402 323176622 /nfs/dbraw/zinc/17/66/22/323176622.db2.gz ZOICIYVHKOPNGB-NEPJUHHUSA-N 1 3 237.347 1.693 20 0 BDADHO C1CC1N1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530216220 323216886 /nfs/dbraw/zinc/21/68/86/323216886.db2.gz OGHZOXRVQUNMJU-CQSZACIVSA-N 1 3 249.402 1.487 20 0 BDADHO C1CC1[C@H]([NH2+]C1CCNCC1)C1CCC1 ZINC000325027210 323308696 /nfs/dbraw/zinc/30/86/96/323308696.db2.gz HZZOVTPNBKFINY-CYBMUJFWSA-N 1 3 208.349 1.907 20 0 BDADHO COC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000122602604 324050025 /nfs/dbraw/zinc/05/00/25/324050025.db2.gz HXDIZHICRZPJHC-TUAOUCFPSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122602604 324050028 /nfs/dbraw/zinc/05/00/28/324050028.db2.gz HXDIZHICRZPJHC-TUAOUCFPSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000158638754 487969947 /nfs/dbraw/zinc/96/99/47/487969947.db2.gz SDNZJSOSCWOWPP-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@]1(CN[C@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608787 325934814 /nfs/dbraw/zinc/93/48/14/325934814.db2.gz IXQCIJVWNWUOBH-LSDHHAIUSA-N 1 3 245.370 1.845 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688457 326074586 /nfs/dbraw/zinc/07/45/86/326074586.db2.gz ABFXRLVHTFSXAL-ZMLRMANQSA-N 1 3 235.331 1.708 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000567579850 326221329 /nfs/dbraw/zinc/22/13/29/326221329.db2.gz MDKYKXWQTYPILZ-YNEHKIRRSA-N 1 3 238.375 1.533 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000567579850 326221331 /nfs/dbraw/zinc/22/13/31/326221331.db2.gz MDKYKXWQTYPILZ-YNEHKIRRSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C)C2)CCN1C ZINC000156291314 326226190 /nfs/dbraw/zinc/22/61/90/326226190.db2.gz INDOTURNRCUUBV-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000567682914 326243909 /nfs/dbraw/zinc/24/39/09/326243909.db2.gz BQSCRYZPEBQRGV-YNEHKIRRSA-N 1 3 242.407 1.856 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)C(C)(C)C)C1 ZINC000567682914 326243910 /nfs/dbraw/zinc/24/39/10/326243910.db2.gz BQSCRYZPEBQRGV-YNEHKIRRSA-N 1 3 242.407 1.856 20 0 BDADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000567837950 326266948 /nfs/dbraw/zinc/26/69/48/326266948.db2.gz DOSGOMTYFMKLFW-VXGBXAGGSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567922619 326283721 /nfs/dbraw/zinc/28/37/21/326283721.db2.gz JXUBRIFNZUFQLU-ZDUSSCGKSA-N 1 3 249.358 1.135 20 0 BDADHO CC(C)NCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000158608809 326331799 /nfs/dbraw/zinc/33/17/99/326331799.db2.gz ZSPCZZUQFOZIQG-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOCC2CCC2)C1 ZINC000568247185 326333847 /nfs/dbraw/zinc/33/38/47/326333847.db2.gz DSIXOKBLYRXENV-CHWSQXEVSA-N 1 3 226.364 1.663 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295339 326342868 /nfs/dbraw/zinc/34/28/68/326342868.db2.gz YMBVTIMQPGHXTD-WYUUTHIRSA-N 1 3 212.337 1.007 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@H]1CCCNC1 ZINC000568856562 326379362 /nfs/dbraw/zinc/37/93/62/326379362.db2.gz XGGCWQYMVJIXDX-NNYUYHANSA-N 1 3 214.328 1.855 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000569106206 326390523 /nfs/dbraw/zinc/39/05/23/326390523.db2.gz UBGHLSGHZNTPOS-WCQYABFASA-N 1 3 225.380 1.058 20 0 BDADHO O=C(CNC1CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000569203141 326394729 /nfs/dbraw/zinc/39/47/29/326394729.db2.gz RFKFDXKBTNCUKK-UHFFFAOYSA-N 1 3 245.326 1.023 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000147436156 488023556 /nfs/dbraw/zinc/02/35/56/488023556.db2.gz RQJPNEJGEHXPIN-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000084384849 488049951 /nfs/dbraw/zinc/04/99/51/488049951.db2.gz DAGRVXBIJUOLRJ-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO CCN1CCCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000237066610 488102974 /nfs/dbraw/zinc/10/29/74/488102974.db2.gz ZRYQDRWTTWYLFR-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000669509261 488109114 /nfs/dbraw/zinc/10/91/14/488109114.db2.gz VWNSTDKCOCIONG-ZWNOBZJWSA-N 1 3 247.342 1.343 20 0 BDADHO Cc1c[nH]c(CNCC2CC[NH+](C)CC2)n1 ZINC000657349275 488115692 /nfs/dbraw/zinc/11/56/92/488115692.db2.gz PJETZQMDWBHXQS-UHFFFAOYSA-N 1 3 222.336 1.150 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000683145229 488118978 /nfs/dbraw/zinc/11/89/78/488118978.db2.gz VJEMVZTWPBIWSL-ZDUSSCGKSA-N 1 3 242.407 1.979 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000397616268 488125005 /nfs/dbraw/zinc/12/50/05/488125005.db2.gz UJCXMDWADAZHSV-FRRDWIJNSA-N 1 3 238.375 1.221 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](C)CO)C1 ZINC000121127311 490077177 /nfs/dbraw/zinc/07/71/77/490077177.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 1 3 228.380 1.279 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)CO)C1 ZINC000121127311 490077180 /nfs/dbraw/zinc/07/71/80/490077180.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121127311 490077186 /nfs/dbraw/zinc/07/71/86/490077186.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121127311 490077189 /nfs/dbraw/zinc/07/71/89/490077189.db2.gz VRRWUIXXWRQVJO-CHWSQXEVSA-N 1 3 228.380 1.279 20 0 BDADHO C[C@H](C[NH3+])NC[C@H]1CCOc2ccccc21 ZINC000161986546 487531554 /nfs/dbraw/zinc/53/15/54/487531554.db2.gz WAMCJGGJYMBILW-GHMZBOCLSA-N 1 3 220.316 1.490 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCSC1)C2 ZINC000381372716 487506663 /nfs/dbraw/zinc/50/66/63/487506663.db2.gz IBLKMFFNHQFRKB-AGIUHOORSA-N 1 3 240.416 1.800 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCSC1)C2 ZINC000381372716 487506668 /nfs/dbraw/zinc/50/66/68/487506668.db2.gz IBLKMFFNHQFRKB-AGIUHOORSA-N 1 3 240.416 1.800 20 0 BDADHO CC(C)n1cc(CN[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000666951992 487890608 /nfs/dbraw/zinc/89/06/08/487890608.db2.gz BFCSWFZDJVCGHP-CYBMUJFWSA-N 1 3 248.374 1.696 20 0 BDADHO C[C@@H](CO)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000683228140 488135474 /nfs/dbraw/zinc/13/54/74/488135474.db2.gz VTQLBRKUVIUHSU-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](CO)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000683228140 488135479 /nfs/dbraw/zinc/13/54/79/488135479.db2.gz VTQLBRKUVIUHSU-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](CO)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000683228140 488135483 /nfs/dbraw/zinc/13/54/83/488135483.db2.gz VTQLBRKUVIUHSU-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](CO)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000683228141 488135553 /nfs/dbraw/zinc/13/55/53/488135553.db2.gz VTQLBRKUVIUHSU-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](CO)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000683228141 488135557 /nfs/dbraw/zinc/13/55/57/488135557.db2.gz VTQLBRKUVIUHSU-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](CO)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228141 488135562 /nfs/dbraw/zinc/13/55/62/488135562.db2.gz VTQLBRKUVIUHSU-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)c2ccccc21 ZINC000323291651 488165367 /nfs/dbraw/zinc/16/53/67/488165367.db2.gz NXFMYDPCONJKEE-YIYPIFLZSA-N 1 3 232.327 1.634 20 0 BDADHO C[C@@H](CO)CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000678043404 488178800 /nfs/dbraw/zinc/17/88/00/488178800.db2.gz CETILBKSRGGCDZ-OCCSQVGLSA-N 1 3 240.391 1.279 20 0 BDADHO C[C@@H](CO)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043404 488178806 /nfs/dbraw/zinc/17/88/06/488178806.db2.gz CETILBKSRGGCDZ-OCCSQVGLSA-N 1 3 240.391 1.279 20 0 BDADHO CC(C)[NH2+]CC(=O)Nc1cccc(CN(C)C)c1 ZINC000037610087 488247582 /nfs/dbraw/zinc/24/75/82/488247582.db2.gz KMZBYXUXDMMNCV-UHFFFAOYSA-N 1 3 249.358 1.685 20 0 BDADHO C[C@H](C[NH2+][C@H](C)CCCCO)CN1CCCC1 ZINC000679333331 488340978 /nfs/dbraw/zinc/34/09/78/488340978.db2.gz JMSZZTIIVYFKMP-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nccn1C ZINC000665282941 490096472 /nfs/dbraw/zinc/09/64/72/490096472.db2.gz FATXOVLDWNCYOY-UMSGYPCISA-N 1 3 248.374 1.459 20 0 BDADHO C(N[C@H](C1CC1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000325083973 490105576 /nfs/dbraw/zinc/10/55/76/490105576.db2.gz ZRQOXLQYFKKVJB-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@H](C1CC1)C1CCC1)[C@@H]1CCCN1 ZINC000325083973 490105582 /nfs/dbraw/zinc/10/55/82/490105582.db2.gz ZRQOXLQYFKKVJB-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@@H]1CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000219320770 490566523 /nfs/dbraw/zinc/56/65/23/490566523.db2.gz MLWVUWFUXFAWJL-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO Cn1cncc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000401633305 490582236 /nfs/dbraw/zinc/58/22/36/490582236.db2.gz BEWQCXFPXYADHA-OLZOCXBDSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cncc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000401633305 490582244 /nfs/dbraw/zinc/58/22/44/490582244.db2.gz BEWQCXFPXYADHA-OLZOCXBDSA-N 1 3 248.374 1.179 20 0 BDADHO CCCC[N@H+](CCOC)CC(C)(C)N ZINC000336767000 491119817 /nfs/dbraw/zinc/11/98/17/491119817.db2.gz SSNIRYXUJPHJKR-UHFFFAOYSA-N 1 3 202.342 1.472 20 0 BDADHO CCCC[N@@H+](CCOC)CC(C)(C)N ZINC000336767000 491119818 /nfs/dbraw/zinc/11/98/18/491119818.db2.gz SSNIRYXUJPHJKR-UHFFFAOYSA-N 1 3 202.342 1.472 20 0 BDADHO C[C@@H]1CN(CCCCCCO)CC[C@H]1[NH3+] ZINC000300332482 582518485 /nfs/dbraw/zinc/51/84/85/582518485.db2.gz RWYDUPBVLPSSCA-VXGBXAGGSA-N 1 3 214.353 1.208 20 0 BDADHO CCN1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000252793262 535541277 /nfs/dbraw/zinc/54/12/77/535541277.db2.gz WWOYQSKTVRKWQE-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250493262 535689209 /nfs/dbraw/zinc/68/92/09/535689209.db2.gz IWGHKVDEDLWTBD-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250493262 535689212 /nfs/dbraw/zinc/68/92/12/535689212.db2.gz IWGHKVDEDLWTBD-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(F)F ZINC000849031687 582833687 /nfs/dbraw/zinc/83/36/87/582833687.db2.gz ZEURTPKZAHCCBV-SECBINFHSA-N 1 3 248.321 1.240 20 0 BDADHO CC[NH+]1CCC(N[C@@H](C)COC(C)=O)CC1 ZINC000892432537 582886497 /nfs/dbraw/zinc/88/64/97/582886497.db2.gz QETQHBRZUQJVBK-JTQLQIEISA-N 1 3 228.336 1.012 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C2CSC2)C1 ZINC000393685626 582915735 /nfs/dbraw/zinc/91/57/35/582915735.db2.gz YOPQUGUOKPBIDE-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO CC[C@H]1C[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000479968678 529326818 /nfs/dbraw/zinc/32/68/18/529326818.db2.gz ZGVJIBLVZMDXFN-MQYQWHSLSA-N 1 3 238.375 1.343 20 0 BDADHO CCOCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250565706 535550056 /nfs/dbraw/zinc/55/00/56/535550056.db2.gz VASQPDOOOQYKPS-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CCOCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250565706 535550059 /nfs/dbraw/zinc/55/00/59/535550059.db2.gz VASQPDOOOQYKPS-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CCOCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084215647 535552132 /nfs/dbraw/zinc/55/21/32/535552132.db2.gz KBLQAAFWXGTLLM-RYUDHWBXSA-N 1 3 214.353 1.520 20 0 BDADHO CCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169028283 535678565 /nfs/dbraw/zinc/67/85/65/535678565.db2.gz ARWLCBATKZTKMI-WOPDTQHZSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@@H]1C[C@H](CN2C[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000262061733 535899608 /nfs/dbraw/zinc/89/96/08/535899608.db2.gz RESPPVNJCSEIKK-LOWDOPEQSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000262022930 536647773 /nfs/dbraw/zinc/64/77/73/536647773.db2.gz YISXZRLPTDTBKF-RWMBFGLXSA-N 1 3 226.364 1.519 20 0 BDADHO COc1cc(CN[C@@H](C)CC[NH3+])ccc1C ZINC000220491790 536805289 /nfs/dbraw/zinc/80/52/89/536805289.db2.gz JBJBJVSRBKQVTG-NSHDSACASA-N 1 3 222.332 1.831 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000252709667 536878415 /nfs/dbraw/zinc/87/84/15/536878415.db2.gz DLZNKUWRCQXJRF-RNJOBUHISA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000252709667 536878421 /nfs/dbraw/zinc/87/84/21/536878421.db2.gz DLZNKUWRCQXJRF-RNJOBUHISA-N 1 3 226.364 1.626 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)C(C)C ZINC000251370060 536879155 /nfs/dbraw/zinc/87/91/55/536879155.db2.gz XBXZVYRGFHLZEB-XQQFMLRXSA-N 1 3 228.380 1.765 20 0 BDADHO COc1ccc(CNCCCC[NH+](C)C)nc1 ZINC000892742782 582973988 /nfs/dbraw/zinc/97/39/88/582973988.db2.gz XNBGOAQHHLLNLW-UHFFFAOYSA-N 1 3 237.347 1.522 20 0 BDADHO CO[C@@]1(C)CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000894136790 583315400 /nfs/dbraw/zinc/31/54/00/583315400.db2.gz SCNMASBRYOYCMZ-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@]1(C)CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894136790 583315401 /nfs/dbraw/zinc/31/54/01/583315401.db2.gz SCNMASBRYOYCMZ-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CCC[NH3+])CCC1SCCS1 ZINC000853022816 588716512 /nfs/dbraw/zinc/71/65/12/588716512.db2.gz FZBDLOZDXGVDRA-UHFFFAOYSA-N 1 3 220.407 1.463 20 0 BDADHO CC1([NH3+])CCN(CCC2SCCS2)CC1 ZINC000853023454 588716760 /nfs/dbraw/zinc/71/67/60/588716760.db2.gz XNPIGZURGYGZNJ-UHFFFAOYSA-N 1 3 246.445 1.996 20 0 BDADHO C([NH2+][C@@H]1CCC12CCOCC2)C12CC(C1)CN2 ZINC000854227098 588780439 /nfs/dbraw/zinc/78/04/39/588780439.db2.gz LQXAKCYFTIMDFQ-MBHSVXNSSA-N 1 3 236.359 1.287 20 0 BDADHO C([NH2+][C@H]1CC[C@@H]1C1CC1)C12CC(C1)CN2 ZINC000854228326 588780775 /nfs/dbraw/zinc/78/07/75/588780775.db2.gz VFQGKYVWIDMPJJ-JPLDKTBPSA-N 1 3 206.333 1.517 20 0 BDADHO c1c(C[NH+]2CCCC2)sc2c1CNCC2 ZINC000139614597 582540389 /nfs/dbraw/zinc/54/03/89/582540389.db2.gz VEVPIZFJCDAGFE-UHFFFAOYSA-N 1 3 222.357 1.990 20 0 BDADHO CCC[C@@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000892067871 582784474 /nfs/dbraw/zinc/78/44/74/582784474.db2.gz BELZPHCDMJVGQW-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CCC(C[N@@H+]2CCCOC(C)(C)C2)CC1 ZINC000892075847 582786113 /nfs/dbraw/zinc/78/61/13/582786113.db2.gz OPECZQADDWPOAW-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CCC(C[N@H+]2CCCOC(C)(C)C2)CC1 ZINC000892075847 582786115 /nfs/dbraw/zinc/78/61/15/582786115.db2.gz OPECZQADDWPOAW-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO COC1CCC(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000892251545 582813056 /nfs/dbraw/zinc/81/30/56/582813056.db2.gz IWSKPYVHCCKZMU-CEUNDQEZSA-N 1 3 238.375 1.343 20 0 BDADHO COc1ccc(CNCCCC[NH+](C)C)o1 ZINC000892743072 582974094 /nfs/dbraw/zinc/97/40/94/582974094.db2.gz ZLCLDGWMTIIUNZ-UHFFFAOYSA-N 1 3 226.320 1.720 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000893094012 583048617 /nfs/dbraw/zinc/04/86/17/583048617.db2.gz CUVJIGULBKVHQZ-WCFLWFBJSA-N 1 3 242.363 1.400 20 0 BDADHO CC(C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000114476210 588874930 /nfs/dbraw/zinc/87/49/30/588874930.db2.gz SPVCZLVNFKFWHS-UHFFFAOYSA-N 1 3 225.380 1.108 20 0 BDADHO C[NH+](C)CC1CCC(NCc2cnccn2)CC1 ZINC000856775078 588877249 /nfs/dbraw/zinc/87/72/49/588877249.db2.gz CXWVMCIQDOUYCM-UHFFFAOYSA-N 1 3 248.374 1.687 20 0 BDADHO C[C@@H]1[C@H](C)[N@H+](CC2CCN(C)CC2)CCN1C ZINC000893669599 583192061 /nfs/dbraw/zinc/19/20/61/583192061.db2.gz QTDNPNUPYZWYRM-OLZOCXBDSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1[C@H](C)[N@@H+](CC2CCN(C)CC2)CCN1C ZINC000893669599 583192064 /nfs/dbraw/zinc/19/20/64/583192064.db2.gz QTDNPNUPYZWYRM-OLZOCXBDSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1CNC1 ZINC000857253173 588901518 /nfs/dbraw/zinc/90/15/18/588901518.db2.gz IFYSSOXNZOTOAD-CBAPKCEASA-N 1 3 237.174 1.768 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000894454883 583464657 /nfs/dbraw/zinc/46/46/57/583464657.db2.gz BJCARHCSKMQFHI-WCQYABFASA-N 1 3 242.363 1.258 20 0 BDADHO COC[C@H]1CC[N@@H+]1CC1CCN(C)CC1 ZINC000894613423 583494450 /nfs/dbraw/zinc/49/44/50/583494450.db2.gz XKKIZGRUAVGKPH-GFCCVEGCSA-N 1 3 212.337 1.049 20 0 BDADHO COC[C@H]1CC[N@H+]1CC1CCN(C)CC1 ZINC000894613423 583494451 /nfs/dbraw/zinc/49/44/51/583494451.db2.gz XKKIZGRUAVGKPH-GFCCVEGCSA-N 1 3 212.337 1.049 20 0 BDADHO CS[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894691663 583507938 /nfs/dbraw/zinc/50/79/38/583507938.db2.gz APGIHFDCRJUOFY-GFCCVEGCSA-N 1 3 228.405 1.766 20 0 BDADHO CS[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894691663 583507939 /nfs/dbraw/zinc/50/79/39/583507939.db2.gz APGIHFDCRJUOFY-GFCCVEGCSA-N 1 3 228.405 1.766 20 0 BDADHO CO[C@H]1CC[N@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000894720306 583512968 /nfs/dbraw/zinc/51/29/68/583512968.db2.gz UUUYSAIKXOPZCX-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000894720306 583512971 /nfs/dbraw/zinc/51/29/71/583512971.db2.gz UUUYSAIKXOPZCX-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@H](CCNCc1ccc2nc[nH]c2c1)[NH+](C)C ZINC000895296703 583641524 /nfs/dbraw/zinc/64/15/24/583641524.db2.gz CEECOSLQOQQBIX-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO CCCN1CCC([NH2+]C[C@H]2CC(C)=NO2)CC1 ZINC000895306786 583644370 /nfs/dbraw/zinc/64/43/70/583644370.db2.gz JROOGYNWBJTXDD-CYBMUJFWSA-N 1 3 239.363 1.615 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000895386802 583663219 /nfs/dbraw/zinc/66/32/19/583663219.db2.gz YCCILGUTEXEEBY-UONOGXRCSA-N 1 3 238.375 1.297 20 0 BDADHO CN1CCC(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000895386802 583663221 /nfs/dbraw/zinc/66/32/21/583663221.db2.gz YCCILGUTEXEEBY-UONOGXRCSA-N 1 3 238.375 1.297 20 0 BDADHO CN1CC[C@@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000858127595 588934334 /nfs/dbraw/zinc/93/43/34/588934334.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127595 588934336 /nfs/dbraw/zinc/93/43/36/588934336.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127595 588934338 /nfs/dbraw/zinc/93/43/38/588934338.db2.gz JRVKPMQUPFJKBG-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO [NH3+]CCC1CCN(C/C=C\Cl)CC1 ZINC000216607740 583897639 /nfs/dbraw/zinc/89/76/39/583897639.db2.gz SXRHSCKRNAJIRV-KTAJNNJTSA-N 1 3 202.729 1.800 20 0 BDADHO C[C@@H]1CCN(CCNC(=[NH2+])NCCC2CC2)C1 ZINC000864456199 584006145 /nfs/dbraw/zinc/00/61/45/584006145.db2.gz DOFFKIQPMPTMAH-LLVKDONJSA-N 1 3 238.379 1.242 20 0 BDADHO CC(C)[NH2+][C@@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858378978 588949775 /nfs/dbraw/zinc/94/97/75/588949775.db2.gz UMQNUXPIHOODNJ-GFCCVEGCSA-N 1 3 249.358 1.541 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840932 584053369 /nfs/dbraw/zinc/05/33/69/584053369.db2.gz JORIJCPRGBQJCO-KTEZZQQRSA-N 1 3 238.375 1.362 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840932 584053370 /nfs/dbraw/zinc/05/33/70/584053370.db2.gz JORIJCPRGBQJCO-KTEZZQQRSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@H]1C[C@H](Nc2ccnc(CO)c2)CC[N@@H+]1C ZINC000858423315 588953384 /nfs/dbraw/zinc/95/33/84/588953384.db2.gz CRWQHHQKAJDRRW-CMPLNLGQSA-N 1 3 235.331 1.469 20 0 BDADHO C[C@H]1C[C@H](Nc2ccnc(CO)c2)CC[N@H+]1C ZINC000858423315 588953385 /nfs/dbraw/zinc/95/33/85/588953385.db2.gz CRWQHHQKAJDRRW-CMPLNLGQSA-N 1 3 235.331 1.469 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203183 584090175 /nfs/dbraw/zinc/09/01/75/584090175.db2.gz GJNTYSFQVSPHLQ-MGPQQGTHSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203183 584090178 /nfs/dbraw/zinc/09/01/78/584090178.db2.gz GJNTYSFQVSPHLQ-MGPQQGTHSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](NC(=[NH2+])NCC1=CCN(C)CC1)C1CC1 ZINC000899270936 584191186 /nfs/dbraw/zinc/19/11/86/584191186.db2.gz QRZFOFWLKBWHLF-JTQLQIEISA-N 1 3 236.363 1.161 20 0 BDADHO C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)CN(C)C ZINC000899272368 584192033 /nfs/dbraw/zinc/19/20/33/584192033.db2.gz DSLVOSDWZNWBDC-NXEZZACHSA-N 1 3 226.368 1.097 20 0 BDADHO CCC[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320223 584551826 /nfs/dbraw/zinc/55/18/26/584551826.db2.gz OYVSEJJGJLLEPH-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@@H](O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902320223 584551829 /nfs/dbraw/zinc/55/18/29/584551829.db2.gz OYVSEJJGJLLEPH-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCCCO2)C1 ZINC000902320737 584552029 /nfs/dbraw/zinc/55/20/29/584552029.db2.gz RYCKFRGJPKBROF-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316171 584555409 /nfs/dbraw/zinc/55/54/09/584555409.db2.gz FGLZAIZUCLTQHC-NEPJUHHUSA-N 1 3 227.396 1.304 20 0 BDADHO C[C@@H](CCCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902344788 584558490 /nfs/dbraw/zinc/55/84/90/584558490.db2.gz GCLWNRZFAHGCSZ-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCOCC2CC2)C1 ZINC000902347262 584559071 /nfs/dbraw/zinc/55/90/71/584559071.db2.gz IIQQQLWTBMXKHG-ZDUSSCGKSA-N 1 3 240.391 1.781 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376061 584567785 /nfs/dbraw/zinc/56/77/85/584567785.db2.gz HXASIFBYSYSEIW-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000902377549 584568655 /nfs/dbraw/zinc/56/86/55/584568655.db2.gz UPRMTPIDDRAXDA-CPCZMJQVSA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000902407192 584574654 /nfs/dbraw/zinc/57/46/54/584574654.db2.gz QALSAETUIQKKAI-MNOVXSKESA-N 1 3 226.364 1.659 20 0 BDADHO COc1cccc(C[C@H](C)NCC2([NH3+])CC2)n1 ZINC000902407587 584575105 /nfs/dbraw/zinc/57/51/05/584575105.db2.gz RDTMZONFHLPESF-JTQLQIEISA-N 1 3 235.331 1.102 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@@H](C)O ZINC000902389170 584580710 /nfs/dbraw/zinc/58/07/10/584580710.db2.gz VOFBRGPQNLNTDZ-UTUOFQBUSA-N 1 3 228.380 1.514 20 0 BDADHO CC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](C)O ZINC000902389170 584580711 /nfs/dbraw/zinc/58/07/11/584580711.db2.gz VOFBRGPQNLNTDZ-UTUOFQBUSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390034 584581373 /nfs/dbraw/zinc/58/13/73/584581373.db2.gz FSCPPWAOCNERAK-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO COCC1(C[NH2+][C@H]2CCNCC(C)(C)C2)CC1 ZINC000902391446 584582260 /nfs/dbraw/zinc/58/22/60/584582260.db2.gz GAUWFWYQIVRZGP-LBPRGKRZSA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC23CC3)C1 ZINC000902395141 584584561 /nfs/dbraw/zinc/58/45/61/584584561.db2.gz ZRUCSDWAILKVLT-WDEREUQCSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902431465 584595436 /nfs/dbraw/zinc/59/54/36/584595436.db2.gz FIFHJUGPJKFJGM-BSLXNSKLSA-N 1 3 245.370 1.341 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCC[C@@H]1CCCC[C@@H]1O ZINC000902433291 584595895 /nfs/dbraw/zinc/59/58/95/584595895.db2.gz ZWSKIHFKESQAFV-RNJOBUHISA-N 1 3 226.364 1.397 20 0 BDADHO Cc1ccc([C@H](C)[NH2+]CC2(N)CC2)c(C)n1 ZINC000902414039 584599489 /nfs/dbraw/zinc/59/94/89/584599489.db2.gz QZGDSNDPATWYCM-JTQLQIEISA-N 1 3 219.332 1.840 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CNCC1(C)C ZINC000902451839 584607604 /nfs/dbraw/zinc/60/76/04/584607604.db2.gz YJAAAMFZLGPKHP-YPMHNXCESA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3nonc3c2)C1 ZINC000902452807 584608294 /nfs/dbraw/zinc/60/82/94/584608294.db2.gz BDKBPNHJMBQWMO-MNOVXSKESA-N 1 3 246.314 1.582 20 0 BDADHO C1=CCC[C@H](CN[C@@H]2C[NH2+]CCOC2)CCC1 ZINC000902457995 584610360 /nfs/dbraw/zinc/61/03/60/584610360.db2.gz WILTUABZJACHAE-UONOGXRCSA-N 1 3 238.375 1.701 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCN1CCC(C)(C)C1 ZINC000902456656 584610445 /nfs/dbraw/zinc/61/04/45/584610445.db2.gz QADQPTLNIXCPQH-QWHCGFSZSA-N 1 3 239.407 1.448 20 0 BDADHO C1CC1N1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902469240 584615678 /nfs/dbraw/zinc/61/56/78/584615678.db2.gz ZOZVEQGBIAJTIW-KWCYVHTRSA-N 1 3 235.375 1.096 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503721 584620578 /nfs/dbraw/zinc/62/05/78/584620578.db2.gz JSLPVVPNBRRFSH-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC[C@H](O)C1CC1 ZINC000902503721 584620580 /nfs/dbraw/zinc/62/05/80/584620580.db2.gz JSLPVVPNBRRFSH-WXHSDQCUSA-N 1 3 226.364 1.125 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902502890 584620951 /nfs/dbraw/zinc/62/09/51/584620951.db2.gz HEIVZNXYAKKGEN-YNEHKIRRSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1CC=CC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000902504273 584621302 /nfs/dbraw/zinc/62/13/02/584621302.db2.gz NGEXVCZRZVAHNH-NKHBCJIASA-N 1 3 232.371 1.927 20 0 BDADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1[C@@H]2NC[C@H]3C[C@H]1C[C@H]23 ZINC000902504273 584621303 /nfs/dbraw/zinc/62/13/03/584621303.db2.gz NGEXVCZRZVAHNH-NKHBCJIASA-N 1 3 232.371 1.927 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902505410 584621636 /nfs/dbraw/zinc/62/16/36/584621636.db2.gz RVXDUBYDNDJMJR-GRYCIOLGSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC[C@@H](O)C2CC2)C1 ZINC000902505410 584621638 /nfs/dbraw/zinc/62/16/38/584621638.db2.gz RVXDUBYDNDJMJR-GRYCIOLGSA-N 1 3 212.337 1.007 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520989 584631537 /nfs/dbraw/zinc/63/15/37/584631537.db2.gz QKOCORGQNJNVGS-REWJHTLYSA-N 1 3 232.327 1.114 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522473 584632178 /nfs/dbraw/zinc/63/21/78/584632178.db2.gz XOZJKJCYQPGZNS-CTHBEMJXSA-N 1 3 246.354 1.504 20 0 BDADHO C(CN1CCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903126914 584729875 /nfs/dbraw/zinc/72/98/75/584729875.db2.gz FLULYHQTHDNWNU-LQDVMPOASA-N 1 3 249.402 1.440 20 0 BDADHO C(CN1CCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903126914 584729876 /nfs/dbraw/zinc/72/98/76/584729876.db2.gz FLULYHQTHDNWNU-LQDVMPOASA-N 1 3 249.402 1.440 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C[C@@H]1CCOC1)C1CC1 ZINC000903431202 584761415 /nfs/dbraw/zinc/76/14/15/584761415.db2.gz IKAZRKOTIFACPA-AGIUHOORSA-N 1 3 238.375 1.343 20 0 BDADHO Cc1noc(C)c1CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431515 584762380 /nfs/dbraw/zinc/76/23/80/584762380.db2.gz XUIZYWURVDYXEJ-NEPJUHHUSA-N 1 3 237.347 1.851 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCOCC2(CCC2)C1 ZINC000903459746 584766092 /nfs/dbraw/zinc/76/60/92/584766092.db2.gz YUBOQUPDPWBCHD-OLZOCXBDSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H](CO)[C@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464079 584767498 /nfs/dbraw/zinc/76/74/98/584767498.db2.gz YTUNUXHDOPTOQO-YIYPIFLZSA-N 1 3 240.391 1.325 20 0 BDADHO COCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470150 584774601 /nfs/dbraw/zinc/77/46/01/584774601.db2.gz GTLJWRZAEQYCEQ-LLVKDONJSA-N 1 3 212.337 1.287 20 0 BDADHO COC[C@@H](C[NH2+][C@H]1CCNC12CCC2)C(C)C ZINC000903470425 584775019 /nfs/dbraw/zinc/77/50/19/584775019.db2.gz BLWUGEBKONUVCG-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO C=C/C=C/CC[NH2+][C@H]1CCNC12CCC2 ZINC000903470996 584775475 /nfs/dbraw/zinc/77/54/75/584775475.db2.gz GDAMBFUJTIKWEP-PCAWENJQSA-N 1 3 206.333 1.993 20 0 BDADHO C[C@@H](c1ncccn1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498493 584780184 /nfs/dbraw/zinc/78/01/84/584780184.db2.gz IEPCBHKKBVJQKM-GRYCIOLGSA-N 1 3 234.347 1.454 20 0 BDADHO CCN(CCCO)C[C@@H]1CCCC[NH2+]C1 ZINC000903732234 584793136 /nfs/dbraw/zinc/79/31/36/584793136.db2.gz DLRSMXYJFOZPCT-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO C[C@@H](O)CN(C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767192 584797825 /nfs/dbraw/zinc/79/78/25/584797825.db2.gz FFNNBRUJRLMCHR-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO C([C@H]1CCCC[NH2+]C1)N1CCC[C@@H]2OCC[C@@H]21 ZINC000903768774 584798207 /nfs/dbraw/zinc/79/82/07/584798207.db2.gz QMKDEAXLJAUIQU-IHRRRGAJSA-N 1 3 238.375 1.629 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@H]2CC[C@]21CN ZINC000903802963 584802143 /nfs/dbraw/zinc/80/21/43/584802143.db2.gz UTSNAZIXXHOKLO-JSGCOSHPSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@H]2CC[C@]21CN ZINC000903802963 584802144 /nfs/dbraw/zinc/80/21/44/584802144.db2.gz UTSNAZIXXHOKLO-JSGCOSHPSA-N 1 3 248.374 1.166 20 0 BDADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCc1ccns1)C2 ZINC000903840724 584807153 /nfs/dbraw/zinc/80/71/53/584807153.db2.gz TZPKJIDEQPYVJP-DCAQKATOSA-N 1 3 237.372 1.497 20 0 BDADHO Cn1cncc1CCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903860345 584812039 /nfs/dbraw/zinc/81/20/39/584812039.db2.gz QWUSRKGOFGZSFV-JSGCOSHPSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903860345 584812040 /nfs/dbraw/zinc/81/20/40/584812040.db2.gz QWUSRKGOFGZSFV-JSGCOSHPSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903860345 584812041 /nfs/dbraw/zinc/81/20/41/584812041.db2.gz QWUSRKGOFGZSFV-JSGCOSHPSA-N 1 3 248.374 1.166 20 0 BDADHO CN(Cc1cccc2c1CC[NH2+]C2)C1CC(O)C1 ZINC000903912286 584822425 /nfs/dbraw/zinc/82/24/25/584822425.db2.gz CQGTWFMLGZGCAG-UHFFFAOYSA-N 1 3 246.354 1.287 20 0 BDADHO CC[C@H](C)[NH2+]C[C@@H](CN)Cc1cnn(C)c1C ZINC000903925891 584823640 /nfs/dbraw/zinc/82/36/40/584823640.db2.gz ISYADHQOKFTSGL-CMPLNLGQSA-N 1 3 238.379 1.234 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]([NH3+])CC(F)F ZINC000903932810 584824787 /nfs/dbraw/zinc/82/47/87/584824787.db2.gz WBKNGIMSPXGKBU-NXEZZACHSA-N 1 3 243.301 1.585 20 0 BDADHO CC(C)C[C@H]([NH3+])CNCc1cc(N)ccn1 ZINC000903953344 584831361 /nfs/dbraw/zinc/83/13/61/584831361.db2.gz DCNGGQKROLYLTQ-NSHDSACASA-N 1 3 222.336 1.127 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CCC[C@@]1(C)CO ZINC000904341529 584867286 /nfs/dbraw/zinc/86/72/86/584867286.db2.gz UCDXAQVADDDFGO-OCCSQVGLSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CCC[C@@]1(C)CO ZINC000904341529 584867287 /nfs/dbraw/zinc/86/72/87/584867287.db2.gz UCDXAQVADDDFGO-OCCSQVGLSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C2CC2)O1 ZINC000904342344 584867495 /nfs/dbraw/zinc/86/74/95/584867495.db2.gz DQYVGDGOYRRUQZ-VCDKRKBESA-N 1 3 224.348 1.223 20 0 BDADHO CC1(C)CN(C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346512 584868557 /nfs/dbraw/zinc/86/85/57/584868557.db2.gz SHPQFLCEELKBDV-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@]2(C)CCCNC2)C[C@@H]1O ZINC000904346512 584868558 /nfs/dbraw/zinc/86/85/58/584868558.db2.gz SHPQFLCEELKBDV-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@@H+](C[C@]2(C)CCCNC2)C[C@@H]1O ZINC000904346512 584868559 /nfs/dbraw/zinc/86/85/59/584868559.db2.gz SHPQFLCEELKBDV-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO Cc1ccc2[nH]c(CNC[C@H]3C[C@@H]([NH3+])C3)nc2c1 ZINC000904364566 584875000 /nfs/dbraw/zinc/87/50/00/584875000.db2.gz MVPHOQVKORQYNK-PHIMTYICSA-N 1 3 244.342 1.698 20 0 BDADHO Cc1ccc2nc(CNC[C@H]3C[C@@H]([NH3+])C3)[nH]c2c1 ZINC000904364566 584875002 /nfs/dbraw/zinc/87/50/02/584875002.db2.gz MVPHOQVKORQYNK-PHIMTYICSA-N 1 3 244.342 1.698 20 0 BDADHO N[C@@H]1CN(Cc2ccc(C[NH3+])cc2)CC[C@H]1F ZINC000904379004 584876825 /nfs/dbraw/zinc/87/68/25/584876825.db2.gz PJJNZQJNZCKZNG-CHWSQXEVSA-N 1 3 237.322 1.016 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+][C@]12C[C@H]1COC2 ZINC000904385889 584877676 /nfs/dbraw/zinc/87/76/76/584877676.db2.gz IZUUPXOIRDFVRX-GVXVVHGQSA-N 1 3 226.364 1.519 20 0 BDADHO Nc1ccc2c(c1)CN(C[C@H]1C[C@@H]([NH3+])C1)CCO2 ZINC000904385994 584877887 /nfs/dbraw/zinc/87/78/87/584877887.db2.gz MFUBQZYHWLOPOH-GSJFWJNXSA-N 1 3 247.342 1.201 20 0 BDADHO CCN(CC)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000733166372 584944018 /nfs/dbraw/zinc/94/40/18/584944018.db2.gz HZTGNMWPWHNOAS-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCCCCCO)CC1 ZINC000759976921 585383710 /nfs/dbraw/zinc/38/37/10/585383710.db2.gz NANVBWDDFJPMRD-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCCCCCO)CC1 ZINC000759976921 585383711 /nfs/dbraw/zinc/38/37/11/585383711.db2.gz NANVBWDDFJPMRD-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCCCCCO)CC1 ZINC000759976921 585383712 /nfs/dbraw/zinc/38/37/12/585383712.db2.gz NANVBWDDFJPMRD-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCN1C[C@@H](C)N(CC[NH+]2CCCC2)C[C@@H]1C ZINC000766254402 585499999 /nfs/dbraw/zinc/49/99/99/585499999.db2.gz QAAQCXOZTDBHST-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000766271875 585500171 /nfs/dbraw/zinc/50/01/71/585500171.db2.gz GTDXRIDGWBNNEH-MGPQQGTHSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H]1CN(CC[NH+]2CCCC2)[C@@H](C)CN1C ZINC000768770510 585543118 /nfs/dbraw/zinc/54/31/18/585543118.db2.gz HNIMBBVEVZZZMV-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOC2CCC2)[C@@H](C)C1 ZINC000777119720 585708811 /nfs/dbraw/zinc/70/88/11/585708811.db2.gz CQQROETWMFFOTO-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOC2CCC2)[C@@H](C)C1 ZINC000777119720 585708812 /nfs/dbraw/zinc/70/88/12/585708812.db2.gz CQQROETWMFFOTO-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CCO)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342020 585751815 /nfs/dbraw/zinc/75/18/15/585751815.db2.gz QBSWFSFSVLHYCF-HZSPNIEDSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H](CCO)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000779342020 585751816 /nfs/dbraw/zinc/75/18/16/585751816.db2.gz QBSWFSFSVLHYCF-HZSPNIEDSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H](CCO)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000779342020 585751817 /nfs/dbraw/zinc/75/18/17/585751817.db2.gz QBSWFSFSVLHYCF-HZSPNIEDSA-N 1 3 242.407 1.715 20 0 BDADHO CCN1CCN(CCC[NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000783223975 585831152 /nfs/dbraw/zinc/83/11/52/585831152.db2.gz ORIGQXMQQLHLMB-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H]1CC[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000783221775 585831269 /nfs/dbraw/zinc/83/12/69/585831269.db2.gz HXJDAUXMYGLOHJ-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CO[C@@H](C)CN1CC1CC[NH+](C)CC1 ZINC000788471067 585925290 /nfs/dbraw/zinc/92/52/90/585925290.db2.gz SSKLKAVAPQUZJZ-NEPJUHHUSA-N 1 3 226.364 1.437 20 0 BDADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC(C)(C)O ZINC000795156062 586069703 /nfs/dbraw/zinc/06/97/03/586069703.db2.gz BGIBPNAZHJNSIU-LBPRGKRZSA-N 1 3 249.358 1.363 20 0 BDADHO C[NH+]1CCC2(CCCN(CCF)C2)CC1 ZINC000799178368 586165633 /nfs/dbraw/zinc/16/56/33/586165633.db2.gz NTHZHRAMBXWCMA-UHFFFAOYSA-N 1 3 214.328 1.764 20 0 BDADHO Cn1cnc(CNCC2CC[NH+](C3CC3)CC2)c1 ZINC000808410616 586471973 /nfs/dbraw/zinc/47/19/73/586471973.db2.gz LUKPAXJVSMKBOK-UHFFFAOYSA-N 1 3 248.374 1.384 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)c1cccc(F)c1 ZINC000817888753 586831825 /nfs/dbraw/zinc/83/18/25/586831825.db2.gz KCSRDXFTTFHNJD-OPQQBVKSSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)c1cccc(F)c1 ZINC000817888752 586832165 /nfs/dbraw/zinc/83/21/65/586832165.db2.gz KCSRDXFTTFHNJD-KWBADKCTSA-N 1 3 240.322 1.575 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1COc2ccccc2C1 ZINC000817891889 586832712 /nfs/dbraw/zinc/83/27/12/586832712.db2.gz PFDXWGLHCQMDNS-YUTCNCBUSA-N 1 3 246.354 1.707 20 0 BDADHO CCc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])n[nH]1 ZINC000817891567 586832969 /nfs/dbraw/zinc/83/29/69/586832969.db2.gz DFEWCEVRJBJPSO-SKDRFNHKSA-N 1 3 222.336 1.189 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817892208 586833373 /nfs/dbraw/zinc/83/33/73/586833373.db2.gz KHCJXEGVNGCJLB-RRFJBIMHSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H](O)c1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817894156 586833876 /nfs/dbraw/zinc/83/38/76/586833876.db2.gz KFJUSPMIDRLKEO-TUKIKUTGSA-N 1 3 248.370 1.957 20 0 BDADHO CSC(C)(C)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000817897906 586835078 /nfs/dbraw/zinc/83/50/78/586835078.db2.gz APFOJIYTDNICAK-ZJUUUORDSA-N 1 3 216.394 1.716 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@H]2C[NH3+])o1 ZINC000817913694 586839115 /nfs/dbraw/zinc/83/91/15/586839115.db2.gz QSNMHUUATSVCAZ-QJPTWQEYSA-N 1 3 238.331 1.338 20 0 BDADHO [NH3+]CC1CCC(NCc2cccc(F)n2)CC1 ZINC000817918808 586840703 /nfs/dbraw/zinc/84/07/03/586840703.db2.gz YBBSDBDZQUMQJV-UHFFFAOYSA-N 1 3 237.322 1.828 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@@H](O)c1ccc(F)cc1 ZINC000817926924 586841785 /nfs/dbraw/zinc/84/17/85/586841785.db2.gz WTZQFJKOPBZGBH-GIPNMCIBSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@H](CSC(C)(C)C)N[C@@H](C)C[NH3+] ZINC000817969661 586856649 /nfs/dbraw/zinc/85/66/49/586856649.db2.gz GFMHMOWJVUCQCX-DTWKUNHWSA-N 1 3 204.383 1.843 20 0 BDADHO CC(C)(CC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000818613503 586906527 /nfs/dbraw/zinc/90/65/27/586906527.db2.gz RJULUNBQOBSYAY-UHFFFAOYSA-N 1 3 235.331 1.003 20 0 BDADHO C[C@H](C[NH2+]C[C@@H](O)C1CC1)CN1CCCCC1 ZINC000818968938 586918429 /nfs/dbraw/zinc/91/84/29/586918429.db2.gz GSXVEKLRSHZRAO-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](CNC[C@@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000818968938 586918431 /nfs/dbraw/zinc/91/84/31/586918431.db2.gz GSXVEKLRSHZRAO-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC000819151913 586933659 /nfs/dbraw/zinc/93/36/59/586933659.db2.gz HSICJGYVBPFAKW-TZMCWYRMSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](O)C2CC2)C1 ZINC000819151913 586933660 /nfs/dbraw/zinc/93/36/60/586933660.db2.gz HSICJGYVBPFAKW-TZMCWYRMSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)CN1CC[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819151913 586933661 /nfs/dbraw/zinc/93/36/61/586933661.db2.gz HSICJGYVBPFAKW-TZMCWYRMSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H](O)C[NH2+][C@H](C)c1cccc(CN(C)C)c1 ZINC000820803374 587072771 /nfs/dbraw/zinc/07/27/71/587072771.db2.gz OBIUWAFBAOGTAC-VXGBXAGGSA-N 1 3 236.359 1.780 20 0 BDADHO OCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820806055 587073780 /nfs/dbraw/zinc/07/37/80/587073780.db2.gz ZEVCBMURYYCJEX-VGPLMAKISA-N 1 3 224.348 1.116 20 0 BDADHO OCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820806055 587073782 /nfs/dbraw/zinc/07/37/82/587073782.db2.gz ZEVCBMURYYCJEX-VGPLMAKISA-N 1 3 224.348 1.116 20 0 BDADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN)c2)CC[NH2+]1 ZINC000834673657 587763619 /nfs/dbraw/zinc/76/36/19/587763619.db2.gz TVBNOFYXGIFXCA-ZWNOBZJWSA-N 1 3 247.342 1.016 20 0 BDADHO NCc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000834861521 587768712 /nfs/dbraw/zinc/76/87/12/587768712.db2.gz JDMCHPRZMSQVJY-DGCLKSJQSA-N 1 3 247.342 1.003 20 0 BDADHO [NH3+]CCCN1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000841007339 587934604 /nfs/dbraw/zinc/93/46/04/587934604.db2.gz PHILTCYFODETEY-GJZGRUSLSA-N 1 3 248.370 1.923 20 0 BDADHO Cc1cc(C[NH2+][C@@H](CN)C2CC2)cnc1Cl ZINC000841027499 587936736 /nfs/dbraw/zinc/93/67/36/587936736.db2.gz CJBWRHKKMSRBBQ-NSHDSACASA-N 1 3 239.750 1.870 20 0 BDADHO COCCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000841064214 587941096 /nfs/dbraw/zinc/94/10/96/587941096.db2.gz VSXPVSBJFWLATM-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCCOC1 ZINC000841089273 587945670 /nfs/dbraw/zinc/94/56/70/587945670.db2.gz KPKRPTQIWAVILI-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO c1cn2c(n1)[C@H](N[C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000843341090 588100904 /nfs/dbraw/zinc/10/09/04/588100904.db2.gz ZEIZKACYKIUGIK-WUHRBBMRSA-N 1 3 246.358 1.306 20 0 BDADHO C[C@](CN)([NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC000843356661 588103630 /nfs/dbraw/zinc/10/36/30/588103630.db2.gz ZPWZMDAVMKVLQN-GFCCVEGCSA-N 1 3 239.750 1.952 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000846218854 588259778 /nfs/dbraw/zinc/25/97/78/588259778.db2.gz YYJBZAZCJNAQTJ-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC2(CCCC2)C1 ZINC000846218854 588259779 /nfs/dbraw/zinc/25/97/79/588259779.db2.gz YYJBZAZCJNAQTJ-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC2(CCCC2)C1 ZINC000846218854 588259780 /nfs/dbraw/zinc/25/97/80/588259780.db2.gz YYJBZAZCJNAQTJ-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CCN(CCCCCC[NH3+])Cc1cnn(C)c1 ZINC000846220962 588261246 /nfs/dbraw/zinc/26/12/46/588261246.db2.gz FEVJVMFHBQUCOE-UHFFFAOYSA-N 1 3 238.379 1.761 20 0 BDADHO CN(CCC[NH3+])[C@@H]1C[C@@H]1c1ccccc1 ZINC000846222010 588261478 /nfs/dbraw/zinc/26/14/78/588261478.db2.gz KHCDUOHRJVKMOI-CHWSQXEVSA-N 1 3 204.317 1.823 20 0 BDADHO Cc1cccc([C@H](O)CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720494 588408358 /nfs/dbraw/zinc/40/83/58/588408358.db2.gz YRDHRYNJFLANJB-RBSFLKMASA-N 1 3 248.370 1.888 20 0 BDADHO Cc1ncc(CCN[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000848719448 588408476 /nfs/dbraw/zinc/40/84/76/588408476.db2.gz FKWKNGFBFNIQQV-WDEREUQCSA-N 1 3 239.388 1.854 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000848981010 588423795 /nfs/dbraw/zinc/42/37/95/588423795.db2.gz VCHSIAXICASTTD-GHMZBOCLSA-N 1 3 226.368 1.383 20 0 BDADHO CCCNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000848987008 588425926 /nfs/dbraw/zinc/42/59/26/588425926.db2.gz DOKVTPDBIKHSSY-RYUDHWBXSA-N 1 3 240.395 1.773 20 0 BDADHO CCN(CCNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000849000969 588430833 /nfs/dbraw/zinc/43/08/33/588430833.db2.gz JENZTKQEMXGLGC-UHFFFAOYSA-N 1 3 249.362 1.748 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030007 588442483 /nfs/dbraw/zinc/44/24/83/588442483.db2.gz CLJOYGKJFYJLMF-VHSXEESVSA-N 1 3 214.357 1.097 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)F ZINC000849033599 588443806 /nfs/dbraw/zinc/44/38/06/588443806.db2.gz RHCFKFGDTJMLKO-GHMZBOCLSA-N 1 3 244.358 1.333 20 0 BDADHO Cc1nc([C@H](C)N2CCC3(C2)CC[NH2+]CC3)n[nH]1 ZINC000852746174 588699172 /nfs/dbraw/zinc/69/91/72/588699172.db2.gz FNRZUXQUISQKIT-JTQLQIEISA-N 1 3 249.362 1.250 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@H](C)C[NH2+]C ZINC000852921676 588713616 /nfs/dbraw/zinc/71/36/16/588713616.db2.gz QGOSVAVVCPSUSK-GFCCVEGCSA-N 1 3 243.395 1.223 20 0 BDADHO C[C@H](C1CC1)[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000866585206 589502172 /nfs/dbraw/zinc/50/21/72/589502172.db2.gz VMXNWGORPMTVET-RTXFEEFZSA-N 1 3 208.349 1.811 20 0 BDADHO C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000866585206 589502173 /nfs/dbraw/zinc/50/21/73/589502173.db2.gz VMXNWGORPMTVET-RTXFEEFZSA-N 1 3 208.349 1.811 20 0 BDADHO C[C@@](C[NH3+])(NC[C@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661394 589508899 /nfs/dbraw/zinc/50/88/99/589508899.db2.gz OPOFHXXTVJGYDS-OCCSQVGLSA-N 1 3 240.391 1.909 20 0 BDADHO CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)C1(N)CC1 ZINC000867988707 589542815 /nfs/dbraw/zinc/54/28/15/589542815.db2.gz SGUBOUMGNCWPMR-LLVKDONJSA-N 1 3 245.326 1.303 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CC2(CCC2)CO1 ZINC000872145635 589884258 /nfs/dbraw/zinc/88/42/58/589884258.db2.gz VQEFOMCMSSXLKX-RYUDHWBXSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872144444 589884533 /nfs/dbraw/zinc/88/45/33/589884533.db2.gz ZBOHKZGUIPWBBQ-YNEHKIRRSA-N 1 3 238.375 1.615 20 0 BDADHO C[NH2+]CCCN1CCC[C@H](CCC(=O)OC)C1 ZINC000872154243 589885841 /nfs/dbraw/zinc/88/58/41/589885841.db2.gz OWFNFUPLDMHTEG-GFCCVEGCSA-N 1 3 242.363 1.261 20 0 BDADHO C[C@@H](C[NH3+])N(C)Cc1cc2c(s1)CCNC2 ZINC000873200477 589992901 /nfs/dbraw/zinc/99/29/01/589992901.db2.gz BBXNGWWHJQLDCH-VIFPVBQESA-N 1 3 239.388 1.173 20 0 BDADHO C1O[C@H]2[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217711 589998260 /nfs/dbraw/zinc/99/82/60/589998260.db2.gz QDLZMMFYZYBTFZ-BSCCGWMCSA-N 1 3 236.359 1.142 20 0 BDADHO C1O[C@H]2[C@H]([NH2+][C@@H]3CCCNCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217711 589998263 /nfs/dbraw/zinc/99/82/63/589998263.db2.gz QDLZMMFYZYBTFZ-BSCCGWMCSA-N 1 3 236.359 1.142 20 0 BDADHO c1cc(CN[C@H]2CCCCC23CC[NH2+]CC3)n[nH]1 ZINC000873232926 590003000 /nfs/dbraw/zinc/00/30/00/590003000.db2.gz RRELMGFMYQSVDB-ZDUSSCGKSA-N 1 3 248.374 1.812 20 0 BDADHO Cc1nc([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000873248896 590007341 /nfs/dbraw/zinc/00/73/41/590007341.db2.gz GMVHUSKZPQVOFO-UJNFCWOMSA-N 1 3 225.361 1.839 20 0 BDADHO C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000873272052 590016512 /nfs/dbraw/zinc/01/65/12/590016512.db2.gz OEQZJXNQAHTCPU-WDEREUQCSA-N 1 3 236.363 1.459 20 0 BDADHO C[C@@H](NC1([C@@H]2CCCCO2)CCC1)C1C[NH2+]C1 ZINC000873276001 590017476 /nfs/dbraw/zinc/01/74/76/590017476.db2.gz PRAVLRVPEFBFJR-YPMHNXCESA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)C1CNC1 ZINC000873276001 590017477 /nfs/dbraw/zinc/01/74/77/590017477.db2.gz PRAVLRVPEFBFJR-YPMHNXCESA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282253 590018335 /nfs/dbraw/zinc/01/83/35/590018335.db2.gz GODWUNFDTXEVNL-GARJFASQSA-N 1 3 228.336 1.045 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000873281600 590018879 /nfs/dbraw/zinc/01/88/79/590018879.db2.gz MLOHZWJUMMRLLR-PEBLQZBPSA-N 1 3 238.375 1.804 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCOC2=O)C1 ZINC000873283626 590019607 /nfs/dbraw/zinc/01/96/07/590019607.db2.gz YKYPPBXFFLCUBB-TUAOUCFPSA-N 1 3 240.347 1.189 20 0 BDADHO C[C@@H](NC1CC(Nc2ccccc2)C1)C1C[NH2+]C1 ZINC000873295184 590024086 /nfs/dbraw/zinc/02/40/86/590024086.db2.gz BKZLSTLICRSSLJ-VCANKDNSSA-N 1 3 245.370 1.827 20 0 BDADHO C[C@@H]([NH2+]C1CC(Nc2ccccc2)C1)C1CNC1 ZINC000873295184 590024087 /nfs/dbraw/zinc/02/40/87/590024087.db2.gz BKZLSTLICRSSLJ-VCANKDNSSA-N 1 3 245.370 1.827 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1Cc2ccccc2CN1 ZINC000873296932 590025077 /nfs/dbraw/zinc/02/50/77/590025077.db2.gz NWLWCBSKEFUXJV-RBSFLKMASA-N 1 3 245.370 1.170 20 0 BDADHO CCCCCCN(C)CC(=O)N(CC)CC[NH3+] ZINC000877006945 590268434 /nfs/dbraw/zinc/26/84/34/590268434.db2.gz XECHDXNYPWOURN-UHFFFAOYSA-N 1 3 243.395 1.306 20 0 BDADHO CC(C)(N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134232 590291185 /nfs/dbraw/zinc/29/11/85/590291185.db2.gz NPLXUOYSFAROLQ-WDEREUQCSA-N 1 3 233.315 1.177 20 0 BDADHO CCN(CC)CC(=O)N(C)CCCCCC[NH3+] ZINC000877437911 590327895 /nfs/dbraw/zinc/32/78/95/590327895.db2.gz BHGYLMGIAQCWAP-UHFFFAOYSA-N 1 3 243.395 1.306 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877437968 590328240 /nfs/dbraw/zinc/32/82/40/590328240.db2.gz FFMJNGHHUUHRRV-RYUDHWBXSA-N 1 3 243.395 1.337 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740198 590407683 /nfs/dbraw/zinc/40/76/83/590407683.db2.gz IZNRYHIWUBCHTL-STQMWFEESA-N 1 3 240.391 1.685 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740198 590407684 /nfs/dbraw/zinc/40/76/84/590407684.db2.gz IZNRYHIWUBCHTL-STQMWFEESA-N 1 3 240.391 1.685 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000127305847 590616945 /nfs/dbraw/zinc/61/69/45/590616945.db2.gz XLVXGWUHFDDXOW-AEJSXWLSSA-N 1 3 202.367 1.455 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21 ZINC000879573756 590810218 /nfs/dbraw/zinc/81/02/18/590810218.db2.gz QWJXWJANJWPUAJ-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC000879573756 590810221 /nfs/dbraw/zinc/81/02/21/590810221.db2.gz QWJXWJANJWPUAJ-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578007 590813463 /nfs/dbraw/zinc/81/34/63/590813463.db2.gz AEAJIKGZVMSZOL-OLZOCXBDSA-N 1 3 238.375 1.318 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCC3(O)CCC3)CC[C@@H]21 ZINC000879578007 590813466 /nfs/dbraw/zinc/81/34/66/590813466.db2.gz AEAJIKGZVMSZOL-OLZOCXBDSA-N 1 3 238.375 1.318 20 0 BDADHO CCC[C@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880474382 591053082 /nfs/dbraw/zinc/05/30/82/591053082.db2.gz HNSZPMOWDFRWGZ-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO c1ccc2c(c1)C[C@@H](CN[C@@H]1CCC[NH2+]CC1)O2 ZINC000129157559 591260703 /nfs/dbraw/zinc/26/07/03/591260703.db2.gz QJCTYBRECIJYAD-KGLIPLIRSA-N 1 3 246.354 1.722 20 0 BDADHO CCN1CC[C@H]1C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000883354092 591624743 /nfs/dbraw/zinc/62/47/43/591624743.db2.gz KOZOXNPXFWJGDI-IHRRRGAJSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H]1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000883354092 591624746 /nfs/dbraw/zinc/62/47/46/591624746.db2.gz KOZOXNPXFWJGDI-IHRRRGAJSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@H]1CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000883354092 591624750 /nfs/dbraw/zinc/62/47/50/591624750.db2.gz KOZOXNPXFWJGDI-IHRRRGAJSA-N 1 3 239.407 1.401 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000886613724 592276148 /nfs/dbraw/zinc/27/61/48/592276148.db2.gz CPOJKDPJDOGNRE-UTUOFQBUSA-N 1 3 242.363 1.115 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](NC[C@@H](C)C[NH+](C)C)C1 ZINC000886613724 592276152 /nfs/dbraw/zinc/27/61/52/592276152.db2.gz CPOJKDPJDOGNRE-UTUOFQBUSA-N 1 3 242.363 1.115 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886838549 592359130 /nfs/dbraw/zinc/35/91/30/592359130.db2.gz ZSYIKGDUPWBJKH-HZSPNIEDSA-N 1 3 238.375 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886838549 592359137 /nfs/dbraw/zinc/35/91/37/592359137.db2.gz ZSYIKGDUPWBJKH-HZSPNIEDSA-N 1 3 238.375 1.616 20 0 BDADHO CCOCCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872008 592377699 /nfs/dbraw/zinc/37/76/99/592377699.db2.gz HCZVLEPOAGTLDZ-CQSZACIVSA-N 1 3 240.391 1.879 20 0 BDADHO COCCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873955 592377850 /nfs/dbraw/zinc/37/78/50/592377850.db2.gz CIWXNGBSQKRUSP-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO COCCCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872397 592377929 /nfs/dbraw/zinc/37/79/29/592377929.db2.gz RKMADFJPMHIRLU-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO COC[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132861 592449252 /nfs/dbraw/zinc/44/92/52/592449252.db2.gz OTEFBLZVQZEAIV-OLZOCXBDSA-N 1 3 249.358 1.627 20 0 BDADHO C[C@H]1CC[N@H+](CCCCCCO)C[C@H]1CN ZINC000300334356 592507481 /nfs/dbraw/zinc/50/74/81/592507481.db2.gz HZCTXNOLPAMVSO-QWHCGFSZSA-N 1 3 228.380 1.456 20 0 BDADHO C[C@H]1CC[N@@H+](CCCCCCO)C[C@H]1CN ZINC000300334356 592507485 /nfs/dbraw/zinc/50/74/85/592507485.db2.gz HZCTXNOLPAMVSO-QWHCGFSZSA-N 1 3 228.380 1.456 20 0 BDADHO C[C@H]1CCN(CCCCCCO)C[C@H]1C[NH3+] ZINC000300334356 592507489 /nfs/dbraw/zinc/50/74/89/592507489.db2.gz HZCTXNOLPAMVSO-QWHCGFSZSA-N 1 3 228.380 1.456 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)CC(C)C)CC1 ZINC000222936082 592511138 /nfs/dbraw/zinc/51/11/38/592511138.db2.gz FTIXRRWKTOPEBW-AWEZNQCLSA-N 1 3 242.407 1.857 20 0 BDADHO C(C[C@H]1CCCCO1)[NH2+][C@@H]1CCCNCC1 ZINC000223719481 592538785 /nfs/dbraw/zinc/53/87/85/592538785.db2.gz OSJCQVVNPUECAK-CHWSQXEVSA-N 1 3 226.364 1.677 20 0 BDADHO C1[C@@H]2C[C@@H]([NH2+][C@@H]3CCNC34CCC4)C[C@H]12 ZINC000925706634 634390984 /nfs/dbraw/zinc/39/09/84/634390984.db2.gz NWOZKCNOLHSERP-WRWGMCAJSA-N 1 3 206.333 1.659 20 0 BDADHO OC[C@H]1CCCCCN1CCC[NH2+]C1CC1 ZINC000124777908 634433031 /nfs/dbraw/zinc/43/30/31/634433031.db2.gz BJUMLZLOGXTPAN-CYBMUJFWSA-N 1 3 226.364 1.365 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000310114992 634574556 /nfs/dbraw/zinc/57/45/56/634574556.db2.gz GUOAIZZYZHCLAY-RDBSUJKOSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000310114992 634574561 /nfs/dbraw/zinc/57/45/61/634574561.db2.gz GUOAIZZYZHCLAY-RDBSUJKOSA-N 1 3 238.375 1.474 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000925824127 635413700 /nfs/dbraw/zinc/41/37/00/635413700.db2.gz PVKJVACNYLWEFK-XQHKEYJVSA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000925824127 635413706 /nfs/dbraw/zinc/41/37/06/635413706.db2.gz PVKJVACNYLWEFK-XQHKEYJVSA-N 1 3 236.359 1.413 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CCS1 ZINC000925857097 635550409 /nfs/dbraw/zinc/55/04/09/635550409.db2.gz HDZGCYGCVGQMDQ-WRWGMCAJSA-N 1 3 228.405 1.988 20 0 BDADHO CC(C)[NH+]1CCC(Nc2ccncc2CO)CC1 ZINC000891570910 631394086 /nfs/dbraw/zinc/39/40/86/631394086.db2.gz HBEIUGVGPCGKAN-UHFFFAOYSA-N 1 3 249.358 1.281 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCCSC[C@@H]1C ZINC000934297552 631762622 /nfs/dbraw/zinc/76/26/22/631762622.db2.gz HRJWCXBBSVNOKE-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCCSC[C@@H]1C ZINC000934297552 631762628 /nfs/dbraw/zinc/76/26/28/631762628.db2.gz HRJWCXBBSVNOKE-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO CN(C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000309056609 631832209 /nfs/dbraw/zinc/83/22/09/631832209.db2.gz PURBFGXJFOPDGH-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H](NCC[NH2+]C(C)(C)C)C1CCOCC1 ZINC000235200357 631999134 /nfs/dbraw/zinc/99/91/34/631999134.db2.gz OUPVIQVNMZYKEL-LLVKDONJSA-N 1 3 228.380 1.779 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000052041386 632051465 /nfs/dbraw/zinc/05/14/65/632051465.db2.gz UCESIQFEVFEUHP-SNVBAGLBSA-N 1 3 226.368 1.383 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000052041387 632052412 /nfs/dbraw/zinc/05/24/12/632052412.db2.gz DQHSUZJNPGZDHZ-LLVKDONJSA-N 1 3 226.368 1.241 20 0 BDADHO CC(C)(C)NC(=[NH2+])NCCN1CCCCCC1 ZINC000052043203 632054258 /nfs/dbraw/zinc/05/42/58/632054258.db2.gz PMTUSTWGLQWFKT-UHFFFAOYSA-N 1 3 240.395 1.775 20 0 BDADHO c1ccc(CN2CC[C@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250644001 632543274 /nfs/dbraw/zinc/54/32/74/632543274.db2.gz IDHKQPPDNXBEFW-GJZGRUSLSA-N 1 3 245.370 1.212 20 0 BDADHO CC[C@H](C)CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056712 632632054 /nfs/dbraw/zinc/63/20/54/632632054.db2.gz ZMYCQXJMJYRZQZ-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000089144655 632658299 /nfs/dbraw/zinc/65/82/99/632658299.db2.gz KJNIISBKSSUVTB-UONOGXRCSA-N 1 3 233.359 1.731 20 0 BDADHO C[C@H](C[NH2+][C@H](C)C[C@H]1CCOC1)CN(C)C ZINC000309746009 632664762 /nfs/dbraw/zinc/66/47/62/632664762.db2.gz JDOGKEOYIYTMEH-JHJVBQTASA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H](O)[C@@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000309978967 632688459 /nfs/dbraw/zinc/68/84/59/632688459.db2.gz VIEBZKSPQHSMDE-GHMZBOCLSA-N 1 3 228.380 1.608 20 0 BDADHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NC ZINC000066245825 632861390 /nfs/dbraw/zinc/86/13/90/632861390.db2.gz FMOHQHWRRCOLCE-NSHDSACASA-N 1 3 226.368 1.175 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCCCCO ZINC000236176459 632892187 /nfs/dbraw/zinc/89/21/87/632892187.db2.gz PQKWESGDHDSOGZ-RYUDHWBXSA-N 1 3 214.353 1.256 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCOC(C)(C)C1 ZINC000309378244 632992916 /nfs/dbraw/zinc/99/29/16/632992916.db2.gz CYYHWHMGELUSHD-NEPJUHHUSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)CCN1CCC([NH2+]CC[C@H](C)O)CC1 ZINC000925069124 635888916 /nfs/dbraw/zinc/88/89/16/635888916.db2.gz FSYWUMXSSIRQRU-ZDUSSCGKSA-N 1 3 242.407 1.857 20 0 BDADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCSC1 ZINC000328444630 633765280 /nfs/dbraw/zinc/76/52/80/633765280.db2.gz NRGUXHYWNBZYEW-HDLKOFKZSA-N 1 3 238.400 1.326 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC1(CCO)CCCC1 ZINC000925525600 633904888 /nfs/dbraw/zinc/90/48/88/633904888.db2.gz DHAZXVWJPWLRFE-QWHCGFSZSA-N 1 3 240.391 1.659 20 0 BDADHO C[C@@H](NC(CN)C[NH3+])c1ccccc1Cl ZINC000309414139 633914919 /nfs/dbraw/zinc/91/49/19/633914919.db2.gz IZBFZADZALNRAW-MRVPVSSYSA-N 1 3 227.739 1.277 20 0 BDADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CCCN1C)c1ccccc1 ZINC000925563063 634045202 /nfs/dbraw/zinc/04/52/02/634045202.db2.gz AACJZCUQYCLISH-QEJZJMRPSA-N 1 3 247.386 1.759 20 0 BDADHO CCn1cc(CNCC2=CC[N@H+](C)CC2)c(C)n1 ZINC000893301848 634113491 /nfs/dbraw/zinc/11/34/91/634113491.db2.gz ARSKWPWCNNUBQP-UHFFFAOYSA-N 1 3 248.374 1.563 20 0 BDADHO CCn1cc(CNCC2=CC[N@@H+](C)CC2)c(C)n1 ZINC000893301848 634113496 /nfs/dbraw/zinc/11/34/96/634113496.db2.gz ARSKWPWCNNUBQP-UHFFFAOYSA-N 1 3 248.374 1.563 20 0 BDADHO C[C@@H]1C[C@H](NCC[C@@H]2C[NH2+]C[C@H]2C)c2nccn21 ZINC000925801582 635348666 /nfs/dbraw/zinc/34/86/66/635348666.db2.gz BLPXMPBCCBVOKP-LPWJVIDDSA-N 1 3 248.374 1.724 20 0 BDADHO Cn1nc(CNC2CCC([NH3+])CC2)cc1C1CC1 ZINC000925874885 635594622 /nfs/dbraw/zinc/59/46/22/635594622.db2.gz WILXUNYSWYLRDP-UHFFFAOYSA-N 1 3 248.374 1.657 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C(C)(C)CO ZINC000925217385 636398539 /nfs/dbraw/zinc/39/85/39/636398539.db2.gz OLEMOZLQIJLYFX-XQQFMLRXSA-N 1 3 242.407 1.856 20 0 BDADHO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N)n1 ZINC000322720655 636878752 /nfs/dbraw/zinc/87/87/52/636878752.db2.gz QRRRENMWTOMRJW-FGWVZKOKSA-N 1 3 247.346 1.404 20 0 BDADHO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N)n1 ZINC000322720655 636878755 /nfs/dbraw/zinc/87/87/55/636878755.db2.gz QRRRENMWTOMRJW-FGWVZKOKSA-N 1 3 247.346 1.404 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C(C)(C)CO)CN1CCCC1 ZINC000924718565 637033237 /nfs/dbraw/zinc/03/32/37/637033237.db2.gz ZKOVJQDABHEYLI-STQMWFEESA-N 1 3 242.407 1.715 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCn2cccn2)C1 ZINC000902362492 637298796 /nfs/dbraw/zinc/29/87/96/637298796.db2.gz XKFQVOWYXGJWKM-GFCCVEGCSA-N 1 3 236.363 1.251 20 0 BDADHO [NH3+][C@H]1C[C@H](NC[C@H]2CCOc3ccccc32)C1 ZINC000906516709 638187111 /nfs/dbraw/zinc/18/71/11/638187111.db2.gz IJAFGVFGTNGXOZ-IJLUTSLNSA-N 1 3 232.327 1.632 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000906516709 638187115 /nfs/dbraw/zinc/18/71/15/638187115.db2.gz IJAFGVFGTNGXOZ-IJLUTSLNSA-N 1 3 232.327 1.632 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+][C@H]1C[C@H](N)C1)C2 ZINC000906518547 638187244 /nfs/dbraw/zinc/18/72/44/638187244.db2.gz RNHMSJOKMJFXFZ-JHJVBQTASA-N 1 3 246.354 1.632 20 0 BDADHO COc1cccc2c1CC[C@@H](N[C@H]1C[C@H]([NH3+])C1)C2 ZINC000906518547 638187246 /nfs/dbraw/zinc/18/72/46/638187246.db2.gz RNHMSJOKMJFXFZ-JHJVBQTASA-N 1 3 246.354 1.632 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649887 639708359 /nfs/dbraw/zinc/70/83/59/639708359.db2.gz WWIILZKQJXFZNR-ZWNOBZJWSA-N 1 3 249.358 1.847 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000911800140 639822024 /nfs/dbraw/zinc/82/20/24/639822024.db2.gz OOQFXWRBHRTHHB-MNOVXSKESA-N 1 3 243.395 1.384 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000911858471 639861670 /nfs/dbraw/zinc/86/16/70/639861670.db2.gz RODQQBQFAAZCHC-WDEREUQCSA-N 1 3 243.395 1.384 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435621 640204494 /nfs/dbraw/zinc/20/44/94/640204494.db2.gz BVHLQKKKNZAMSU-REWJHTLYSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CCN(C)C[C@@H]3C2)C1 ZINC000931435621 640204497 /nfs/dbraw/zinc/20/44/97/640204497.db2.gz BVHLQKKKNZAMSU-REWJHTLYSA-N 1 3 238.375 1.437 20 0 BDADHO CC[NH2+]CC(=O)Nc1cccc(CN(C)C)c1 ZINC000044648242 640445395 /nfs/dbraw/zinc/44/53/95/640445395.db2.gz DGVRXZOTOIYTBD-UHFFFAOYSA-N 1 3 235.331 1.296 20 0 BDADHO C[N@H+](C[C@H]1CCCOC1)C[C@@]1(C)CCCNC1 ZINC000223729576 640585389 /nfs/dbraw/zinc/58/53/89/640585389.db2.gz DHRCZJPBOFCAJA-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](C[C@H]1CCCOC1)C[C@@]1(C)CCCNC1 ZINC000223729576 640585394 /nfs/dbraw/zinc/58/53/94/640585394.db2.gz DHRCZJPBOFCAJA-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CN(C[C@H]1CCCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000223729576 640585401 /nfs/dbraw/zinc/58/54/01/640585401.db2.gz DHRCZJPBOFCAJA-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CCO[C@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000932969279 640655295 /nfs/dbraw/zinc/65/52/95/640655295.db2.gz AIDRDBBCMDDYLM-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CCO[C@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000932969279 640655297 /nfs/dbraw/zinc/65/52/97/640655297.db2.gz AIDRDBBCMDDYLM-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000157296979 640661843 /nfs/dbraw/zinc/66/18/43/640661843.db2.gz UHWHQDPSACDLKS-JFUSQASVSA-N 1 3 206.289 1.102 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157452194 640686274 /nfs/dbraw/zinc/68/62/74/640686274.db2.gz SSZWOUTVAVIEGE-MCIONIFRSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157452194 640686275 /nfs/dbraw/zinc/68/62/75/640686275.db2.gz SSZWOUTVAVIEGE-MCIONIFRSA-N 1 3 236.359 1.896 20 0 BDADHO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000227909185 640853903 /nfs/dbraw/zinc/85/39/03/640853903.db2.gz PUBRMDGCJPRNHF-VXGBXAGGSA-N 1 3 228.380 1.502 20 0 BDADHO CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@H]1CCCN1C ZINC000934120073 641083988 /nfs/dbraw/zinc/08/39/88/641083988.db2.gz ZEHXLYGLRRCPLT-FRRDWIJNSA-N 1 3 226.364 1.580 20 0 BDADHO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@H]1CCCN1C ZINC000934120073 641083991 /nfs/dbraw/zinc/08/39/91/641083991.db2.gz ZEHXLYGLRRCPLT-FRRDWIJNSA-N 1 3 226.364 1.580 20 0 BDADHO CN(C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000062861981 641100429 /nfs/dbraw/zinc/10/04/29/641100429.db2.gz XGDQNLPBMSUFRR-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@]1(CN2CCCSCC2)CCC[NH2+]C1 ZINC000062862414 641100472 /nfs/dbraw/zinc/10/04/72/641100472.db2.gz BPSLBDLQICEJLG-GFCCVEGCSA-N 1 3 228.405 1.815 20 0 BDADHO CCCN1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062861795 641101253 /nfs/dbraw/zinc/10/12/53/641101253.db2.gz UNJVYXYUYKXTNG-AWEZNQCLSA-N 1 3 239.407 1.404 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](O)c1ccsc1 ZINC000231980516 641226136 /nfs/dbraw/zinc/22/61/36/641226136.db2.gz WUMDYSKPQGZMOL-MVWJERBFSA-N 1 3 240.372 1.499 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2COCC2(C)C)C1 ZINC000313009960 641525570 /nfs/dbraw/zinc/52/55/70/641525570.db2.gz SZRFUBPNDZCFPW-OLZOCXBDSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2COCC2(C)C)C1 ZINC000313009960 641525579 /nfs/dbraw/zinc/52/55/79/641525579.db2.gz SZRFUBPNDZCFPW-OLZOCXBDSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313009960 641525581 /nfs/dbraw/zinc/52/55/81/641525581.db2.gz SZRFUBPNDZCFPW-OLZOCXBDSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCCc3n[nH]cc32)CC[N@@H+]1C ZINC000353531799 642864881 /nfs/dbraw/zinc/86/48/81/642864881.db2.gz PHRBHXYJADSJAN-WZRBSPASSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCCc3n[nH]cc32)CC[N@H+]1C ZINC000353531799 642864883 /nfs/dbraw/zinc/86/48/83/642864883.db2.gz PHRBHXYJADSJAN-WZRBSPASSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@H](CN[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968043 643398786 /nfs/dbraw/zinc/39/87/86/643398786.db2.gz IPNRMISSQDRMIW-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC1)CN1CCCCC1 ZINC000070968043 643398791 /nfs/dbraw/zinc/39/87/91/643398791.db2.gz IPNRMISSQDRMIW-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000084218078 643651543 /nfs/dbraw/zinc/65/15/43/643651543.db2.gz YQIUCTPMCLRTPT-DMDPSCGWSA-N 1 3 219.332 1.860 20 0 BDADHO C1=CO[C@H](C[NH2+]CCCN2CCCC2)CC1 ZINC000050267584 643671098 /nfs/dbraw/zinc/67/10/98/643671098.db2.gz DXHXVTCZQHZLRB-ZDUSSCGKSA-N 1 3 224.348 1.755 20 0 BDADHO C1=CO[C@H](CNCCC[NH+]2CCCC2)CC1 ZINC000050267584 643671102 /nfs/dbraw/zinc/67/11/02/643671102.db2.gz DXHXVTCZQHZLRB-ZDUSSCGKSA-N 1 3 224.348 1.755 20 0 BDADHO CCC(CC)(CO)C[NH2+]C1CCNCC1 ZINC000230219962 643767239 /nfs/dbraw/zinc/76/72/39/643767239.db2.gz BJJVPYHNBTZEMZ-UHFFFAOYSA-N 1 3 214.353 1.127 20 0 BDADHO CN(Cc1ccnn1C)C1CCC([NH3+])CC1 ZINC000085869282 643824338 /nfs/dbraw/zinc/82/43/38/643824338.db2.gz RXQQTBWYEAEPOD-UHFFFAOYSA-N 1 3 222.336 1.122 20 0 BDADHO COC[C@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000081079745 644308034 /nfs/dbraw/zinc/30/80/34/644308034.db2.gz AJQQHKHJSNMZKC-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000081079745 644308039 /nfs/dbraw/zinc/30/80/39/644308039.db2.gz AJQQHKHJSNMZKC-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO Cc1ccc([C@@H](O)CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000923280253 644311510 /nfs/dbraw/zinc/31/15/10/644311510.db2.gz FZHUCMCOPMAUFN-JSGCOSHPSA-N 1 3 234.343 1.309 20 0 BDADHO CCCCOC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923296531 644334695 /nfs/dbraw/zinc/33/46/95/644334695.db2.gz UTQGKODEXWXLLO-QWHCGFSZSA-N 1 3 246.395 1.127 20 0 BDADHO CC(C)CC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923319765 644347525 /nfs/dbraw/zinc/34/75/25/644347525.db2.gz ZNUWNYRYDAEDBB-IHRRRGAJSA-N 1 3 240.391 1.595 20 0 BDADHO NC1(C[NH2+]C[C@H]2COc3ccccc3O2)CCC1 ZINC000923330938 644349744 /nfs/dbraw/zinc/34/97/44/644349744.db2.gz DHRZJSLADZXGGV-NSHDSACASA-N 1 3 248.326 1.297 20 0 BDADHO CC(C)Cc1ccccc1CNC(CN)C[NH3+] ZINC000923355855 644373827 /nfs/dbraw/zinc/37/38/27/644373827.db2.gz FBGQZQUQTRGAOR-UHFFFAOYSA-N 1 3 235.375 1.261 20 0 BDADHO CC(C)CC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923356772 644376547 /nfs/dbraw/zinc/37/65/47/644376547.db2.gz ULHGJWLONJUHDK-CHWSQXEVSA-N 1 3 228.380 1.454 20 0 BDADHO CCOCCOCCN[C@H]1CC[NH2+]CC1(C)C ZINC000923369274 644382328 /nfs/dbraw/zinc/38/23/28/644382328.db2.gz JJMNNNSRKUYWAR-LBPRGKRZSA-N 1 3 244.379 1.017 20 0 BDADHO CC[C@](C)(CC(=O)OC)NCCC[NH2+]C1CC1 ZINC000923377680 644391276 /nfs/dbraw/zinc/39/12/76/644391276.db2.gz WINWYTPBVMBNMN-CYBMUJFWSA-N 1 3 242.363 1.450 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H](O)CC(F)(F)F ZINC000923382559 644394935 /nfs/dbraw/zinc/39/49/35/644394935.db2.gz CWQKCADCOGCKBN-DJLDLDEBSA-N 1 3 240.269 1.159 20 0 BDADHO CC(C)CC[C@@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000923412206 644414362 /nfs/dbraw/zinc/41/43/62/644414362.db2.gz PZJAPHYWROQKOE-UONOGXRCSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)CC[C@@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000923412206 644414369 /nfs/dbraw/zinc/41/43/69/644414369.db2.gz PZJAPHYWROQKOE-UONOGXRCSA-N 1 3 242.407 1.987 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)Cc1ccccc1 ZINC000923422842 644418873 /nfs/dbraw/zinc/41/88/73/644418873.db2.gz TWUWCNWXICBORD-MCIONIFRSA-N 1 3 248.370 1.305 20 0 BDADHO [NH3+]CCCCCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000085541668 644443114 /nfs/dbraw/zinc/44/31/14/644443114.db2.gz SSUJMAIZOFRWHG-TXEJJXNPSA-N 1 3 212.337 1.369 20 0 BDADHO C[C@H](c1cnccn1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492298 644468171 /nfs/dbraw/zinc/46/81/71/644468171.db2.gz BMMOFGAZBAJHCY-IJLUTSLNSA-N 1 3 234.347 1.454 20 0 BDADHO Cc1cc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)nc(C)n1 ZINC000923492694 644468480 /nfs/dbraw/zinc/46/84/80/644468480.db2.gz CAHMSHVSMKXWBA-GXFFZTMASA-N 1 3 248.374 1.510 20 0 BDADHO Cc1cnc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923500857 644473178 /nfs/dbraw/zinc/47/31/78/644473178.db2.gz PPXJUXGMZIOESH-JQWIXIFHSA-N 1 3 234.347 1.202 20 0 BDADHO C[C@@H]1CC[C@@H](CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)O1 ZINC000923515086 644481060 /nfs/dbraw/zinc/48/10/60/644481060.db2.gz CNTRSWCCAVRNNT-XQHKEYJVSA-N 1 3 224.348 1.095 20 0 BDADHO CC(C)C[C@@H]1CN(C)CCN1C[C@@H]1CC[NH2+]C1 ZINC000923557678 644500826 /nfs/dbraw/zinc/50/08/26/644500826.db2.gz NESZQLVPTCYHNN-ZIAGYGMSSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(C)C1 ZINC000251165654 644795736 /nfs/dbraw/zinc/79/57/36/644795736.db2.gz CZBHCOBYFQXUSM-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@H]1COCCN1CC[C@H]1CCC[NH2+]C1 ZINC000251873817 644828364 /nfs/dbraw/zinc/82/83/64/644828364.db2.gz UPYOKBKEEKUOLW-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C(C)(C)CO ZINC000926751990 645402144 /nfs/dbraw/zinc/40/21/44/645402144.db2.gz BWDAUVRIPRBPCH-QWHCGFSZSA-N 1 3 242.407 1.715 20 0 BDADHO [NH3+]CCC1CCN(CCOC(F)F)CC1 ZINC000852753567 645487908 /nfs/dbraw/zinc/48/79/08/645487908.db2.gz NNXADXKSLPJQEL-UHFFFAOYSA-N 1 3 222.279 1.286 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCCCO1 ZINC000924802761 646110177 /nfs/dbraw/zinc/11/01/77/646110177.db2.gz KMLXEMRKPXTVKD-WJLOJVBCSA-N 1 3 238.375 1.485 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CCOC1 ZINC000925052093 646168460 /nfs/dbraw/zinc/16/84/60/646168460.db2.gz AEQRNGUPVRLMOZ-QNMSZWNNSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]([NH3+])[C@@H](NCCN1CCCC1)c1ccccc1 ZINC000925509863 646308981 /nfs/dbraw/zinc/30/89/81/646308981.db2.gz RJELIEFRWMHDAZ-UKRRQHHQSA-N 1 3 247.386 1.760 20 0 BDADHO CCC(CC)(CCO)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925529198 646316691 /nfs/dbraw/zinc/31/66/91/646316691.db2.gz ZPSMIGWRVYCPKN-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CC1(C)[C@H](NCC2(CO)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530832 646320409 /nfs/dbraw/zinc/32/04/09/646320409.db2.gz VUOBYUHZNGOZIN-GRYCIOLGSA-N 1 3 238.375 1.125 20 0 BDADHO CC1(C)[C@H]([NH2+]CC2(CO)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925530832 646320414 /nfs/dbraw/zinc/32/04/14/646320414.db2.gz VUOBYUHZNGOZIN-GRYCIOLGSA-N 1 3 238.375 1.125 20 0 BDADHO CC1(C)[C@@H](N[C@@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549500 646327646 /nfs/dbraw/zinc/32/76/46/646327646.db2.gz LTVYYYCUOUSREG-NDBYEHHHSA-N 1 3 238.375 1.532 20 0 BDADHO CC1(C)C[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925597672 646351189 /nfs/dbraw/zinc/35/11/89/646351189.db2.gz RAUOFEMLOFRTDX-MNOVXSKESA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC1 ZINC000925595112 646351467 /nfs/dbraw/zinc/35/14/67/646351467.db2.gz MYTIELKHGSAOQD-WOPDTQHZSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@H](CO)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000929847190 646358604 /nfs/dbraw/zinc/35/86/04/646358604.db2.gz LUYRGRCWVXRWIU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](CO)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000929847190 646358609 /nfs/dbraw/zinc/35/86/09/646358609.db2.gz LUYRGRCWVXRWIU-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO C1=CC[C@H]([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925620636 646368487 /nfs/dbraw/zinc/36/84/87/646368487.db2.gz WKRJHEFQRJHHRE-NWDGAFQWSA-N 1 3 206.333 1.969 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000925641444 646381527 /nfs/dbraw/zinc/38/15/27/646381527.db2.gz YCQMYOUUCDOYKT-GHYVTOPFSA-N 1 3 238.375 1.674 20 0 BDADHO FC1(F)CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925660321 646396934 /nfs/dbraw/zinc/39/69/34/646396934.db2.gz KZXGBNZXFUTFAS-NSHDSACASA-N 1 3 248.317 1.390 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCC[C@H]1O ZINC000925686983 646410417 /nfs/dbraw/zinc/41/04/17/646410417.db2.gz CZYHGRIWPOWXIY-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925683597 646411699 /nfs/dbraw/zinc/41/16/99/646411699.db2.gz TUFLZSQTAABHMF-KKOKHZNYSA-N 1 3 224.348 1.413 20 0 BDADHO CC1(C)[C@H](N[C@@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709256 646435056 /nfs/dbraw/zinc/43/50/56/646435056.db2.gz UNYNSTODLWUMHH-WISYIIOYSA-N 1 3 220.360 1.905 20 0 BDADHO CC1(C)[C@H]([NH2+][C@@H]2CC23CC3)[C@@H]2CCCN[C@@H]21 ZINC000925709256 646435060 /nfs/dbraw/zinc/43/50/60/646435060.db2.gz UNYNSTODLWUMHH-WISYIIOYSA-N 1 3 220.360 1.905 20 0 BDADHO FC(F)(F)[C@@H]1C[C@H]1C[NH2+]C1CCNCC1 ZINC000925832335 646500798 /nfs/dbraw/zinc/50/07/98/646500798.db2.gz OHCWRRHLGSPJNR-IONNQARKSA-N 1 3 222.254 1.526 20 0 BDADHO COC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000925841213 646506097 /nfs/dbraw/zinc/50/60/97/646506097.db2.gz IIZLWZOSKIRRQW-MGPQQGTHSA-N 1 3 238.375 1.533 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840510 646506885 /nfs/dbraw/zinc/50/68/85/646506885.db2.gz AZAQKGVWKFSTMO-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC(C)(C)CO ZINC000926507737 646667562 /nfs/dbraw/zinc/66/75/62/646667562.db2.gz JZGBINGFXZKZRF-FUNVUKJBSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@H]1CSCCCN1C[C@H]1CC[NH2+]C1 ZINC000725661610 711668754 /nfs/dbraw/zinc/66/87/54/711668754.db2.gz MEQGXCSMRVCXRL-QWRGUYRKSA-N 1 3 214.378 1.423 20 0 BDADHO CNC[C@H]1CCC[N@@H+]1C[C@H](COC)C(C)C ZINC000721913689 711918054 /nfs/dbraw/zinc/91/80/54/711918054.db2.gz PNDKXAUZESOYRG-CHWSQXEVSA-N 1 3 228.380 1.589 20 0 BDADHO CNC[C@H]1CCC[N@H+]1C[C@H](COC)C(C)C ZINC000721913689 711918055 /nfs/dbraw/zinc/91/80/55/711918055.db2.gz PNDKXAUZESOYRG-CHWSQXEVSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCC1(F)CCC1 ZINC000702520664 712054664 /nfs/dbraw/zinc/05/46/64/712054664.db2.gz NWWFLSXQSOMYDY-GHMZBOCLSA-N 1 3 214.328 1.999 20 0 BDADHO COC1CC(C[N@@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)C1 ZINC000703870374 712092045 /nfs/dbraw/zinc/09/20/45/712092045.db2.gz DVWSGUXTMKOSGO-WCCYQHBJSA-N 1 3 240.391 1.717 20 0 BDADHO COC1CC(C[N@H+]2C[C@H](CN)[C@H](C)C[C@H]2C)C1 ZINC000703870374 712092046 /nfs/dbraw/zinc/09/20/46/712092046.db2.gz DVWSGUXTMKOSGO-WCCYQHBJSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H]1COCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703892406 712092387 /nfs/dbraw/zinc/09/23/87/712092387.db2.gz AQSNINWSWBKJPP-ODWCKFRGSA-N 1 3 224.348 1.238 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000710326354 712252112 /nfs/dbraw/zinc/25/21/12/712252112.db2.gz VYJRAGPINRDKJR-XJFOESAGSA-N 1 3 240.391 1.731 20 0 BDADHO CN(CCCCCC[NH3+])CC(=O)N(C)C1CC1 ZINC000710751021 712256074 /nfs/dbraw/zinc/25/60/74/712256074.db2.gz QSFJAANIVNVHSQ-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCC(C)(C)CO2)C1 ZINC000713584359 712465974 /nfs/dbraw/zinc/46/59/74/712465974.db2.gz DQEYHUSJULYXJT-YNEHKIRRSA-N 1 3 240.391 1.861 20 0 BDADHO CCN1CCN(CCC[NH2+]C(C)C)CC1 ZINC000037480277 712648301 /nfs/dbraw/zinc/64/83/01/712648301.db2.gz YOGKVGCJPBEHPL-UHFFFAOYSA-N 1 3 213.369 1.012 20 0 BDADHO CC(C)N1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000042302621 712720173 /nfs/dbraw/zinc/72/01/73/712720173.db2.gz MLVBPJCMOXBQQF-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2C[C@@H](OC)C2)CC[C@H]1N ZINC000721910746 710690300 /nfs/dbraw/zinc/69/03/00/710690300.db2.gz YLSAMDBBCMMBOZ-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2C[C@@H](OC)C2)CC[C@H]1N ZINC000721910746 710690302 /nfs/dbraw/zinc/69/03/02/710690302.db2.gz YLSAMDBBCMMBOZ-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(C[C@H]2C[C@@H](OC)C2)CC[C@H]1[NH3+] ZINC000721910746 710690306 /nfs/dbraw/zinc/69/03/06/710690306.db2.gz YLSAMDBBCMMBOZ-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396544575 710906994 /nfs/dbraw/zinc/90/69/94/710906994.db2.gz BPOBAGGWMGOPOS-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CSC[C@H]2C)C1 ZINC000389630402 711083948 /nfs/dbraw/zinc/08/39/48/711083948.db2.gz LZWCANVUMKNPJG-UTUOFQBUSA-N 1 3 228.405 1.669 20 0 BDADHO C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)N1CCCCC1 ZINC000396570259 711355167 /nfs/dbraw/zinc/35/51/67/711355167.db2.gz AJTXQOYHCNFBJT-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO COCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396585934 711357284 /nfs/dbraw/zinc/35/72/84/711357284.db2.gz HPCOPAKRDDQHLJ-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@H](C[N@H+](C)CCCN)C(C)C ZINC000721965366 710695641 /nfs/dbraw/zinc/69/56/41/710695641.db2.gz QFIBQAWPKUYCBT-NSHDSACASA-N 1 3 202.342 1.186 20 0 BDADHO COC[C@H](C[N@@H+](C)CCCN)C(C)C ZINC000721965366 710695644 /nfs/dbraw/zinc/69/56/44/710695644.db2.gz QFIBQAWPKUYCBT-NSHDSACASA-N 1 3 202.342 1.186 20 0 BDADHO COC[C@H](CN(C)CCC[NH3+])C(C)C ZINC000721965366 710695645 /nfs/dbraw/zinc/69/56/45/710695645.db2.gz QFIBQAWPKUYCBT-NSHDSACASA-N 1 3 202.342 1.186 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCN1CCCCC1 ZINC000396663557 711363677 /nfs/dbraw/zinc/36/36/77/711363677.db2.gz HPNXKUPOVZELRN-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO CCC[C@H](CCO)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396674319 711365237 /nfs/dbraw/zinc/36/52/37/711365237.db2.gz RYSNWMUKOKHQCU-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@]2(C)CCC[NH2+]C2)O1 ZINC000398133830 711401542 /nfs/dbraw/zinc/40/15/42/711401542.db2.gz WSHGMDFUJKYXQB-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO COc1cc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)on1 ZINC000723893515 711544271 /nfs/dbraw/zinc/54/42/71/711544271.db2.gz ADHQLDJWDGQHAJ-NXEZZACHSA-N 1 3 239.319 1.100 20 0 BDADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000723957062 711547308 /nfs/dbraw/zinc/54/73/08/711547308.db2.gz SYOZPSRLIDWIKG-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO C1[NH2+][C@@H]2[C@H](N[C@@H]3CCCOCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000383108720 711672394 /nfs/dbraw/zinc/67/23/94/711672394.db2.gz DSMIHOMHSKCQBL-VPCRRHSYSA-N 1 3 236.359 1.142 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722324425 711737615 /nfs/dbraw/zinc/73/76/15/711737615.db2.gz KNQRNLYVYMCPAS-RVMXOQNASA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722324425 711737618 /nfs/dbraw/zinc/73/76/18/711737618.db2.gz KNQRNLYVYMCPAS-RVMXOQNASA-N 1 3 238.375 1.659 20 0 BDADHO C[C@H](NC[C@@H]1CC2(CCC2)CO1)[C@@H]1CC[NH2+]C1 ZINC000925773979 711745863 /nfs/dbraw/zinc/74/58/63/711745863.db2.gz QTNSXAAHGNNPDG-XQQFMLRXSA-N 1 3 238.375 1.533 20 0 BDADHO CN(C)c1ccnc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000925814299 711755063 /nfs/dbraw/zinc/75/50/63/711755063.db2.gz KFRWHDCPZXPVSK-NEPJUHHUSA-N 1 3 248.374 1.507 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCS[C@H](C)[C@@H]1C ZINC000132514388 711961147 /nfs/dbraw/zinc/96/11/47/711961147.db2.gz VKHAWIJOKKCWGO-KXNHARMFSA-N 1 3 228.405 1.668 20 0 BDADHO C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CC(F)F ZINC000700029614 711983290 /nfs/dbraw/zinc/98/32/90/711983290.db2.gz NSPROQFMMPIUBT-OPPOILRSSA-N 1 3 244.329 1.864 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CSC[C@H]1C)N(C)C ZINC000700489734 711994425 /nfs/dbraw/zinc/99/44/25/711994425.db2.gz UAXUQIVSNMVJJA-MXWKQRLJSA-N 1 3 216.394 1.668 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CSC[C@H]1C)N(C)C ZINC000700489735 711994676 /nfs/dbraw/zinc/99/46/76/711994676.db2.gz UAXUQIVSNMVJJA-OUAUKWLOSA-N 1 3 216.394 1.668 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(CC[C@H]1CCCCO1)C2 ZINC000702111316 712039053 /nfs/dbraw/zinc/03/90/53/712039053.db2.gz PZCAXKMJSLMZQU-BFHYXJOUSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H](C[NH2+]C1CCC(C)(O)CC1)CN(C)C ZINC000702987306 712062600 /nfs/dbraw/zinc/06/26/00/712062600.db2.gz AOMKKEARJOZBCM-HIFPTAJRSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)CCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000703998008 712099290 /nfs/dbraw/zinc/09/92/90/712099290.db2.gz KMKZXMULKQKQSO-BETUJISGSA-N 1 3 210.365 1.964 20 0 BDADHO C1CC12CCC[C@@H]2N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000706791618 712156001 /nfs/dbraw/zinc/15/60/01/712156001.db2.gz NHADWWSWJMTBKE-VZKILSJISA-N 1 3 232.371 1.905 20 0 BDADHO C[C@]1(C[N@@H+]2CC[C@@]3(CCOC3)C2)CCCNC1 ZINC000707211445 712166944 /nfs/dbraw/zinc/16/69/44/712166944.db2.gz BFNTYUCBULXXIG-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO C[C@]1(C[N@H+]2CC[C@@]3(CCOC3)C2)CCCNC1 ZINC000707211445 712166946 /nfs/dbraw/zinc/16/69/46/712166946.db2.gz BFNTYUCBULXXIG-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO CC1(C)CO[C@H](CN2CC[C@@](C)(C[NH3+])C2)C1 ZINC000708323448 712187705 /nfs/dbraw/zinc/18/77/05/712187705.db2.gz NBRMOURLRDHOKP-AAEUAGOBSA-N 1 3 226.364 1.472 20 0 BDADHO CCC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000708991071 712204953 /nfs/dbraw/zinc/20/49/53/712204953.db2.gz LHTYGNLICSUFFO-TUAOUCFPSA-N 1 3 212.337 1.225 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000710727731 712255682 /nfs/dbraw/zinc/25/56/82/712255682.db2.gz OYFNWXMBSCAGOF-WISYIIOYSA-N 1 3 224.348 1.149 20 0 BDADHO C[C@@H]1COC[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878217 712260676 /nfs/dbraw/zinc/26/06/76/712260676.db2.gz YZDFCQHKTVCPAE-PWSUYJOCSA-N 1 3 240.391 1.920 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCC2(CCC2)O1 ZINC000711428559 712299589 /nfs/dbraw/zinc/29/95/89/712299589.db2.gz ZLWMXYMFTRZHHW-UTUOFQBUSA-N 1 3 238.375 1.804 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711428559 712299591 /nfs/dbraw/zinc/29/95/91/712299591.db2.gz ZLWMXYMFTRZHHW-UTUOFQBUSA-N 1 3 238.375 1.804 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000711471733 712303364 /nfs/dbraw/zinc/30/33/64/712303364.db2.gz UWDUGUXLWWKJGH-VXGBXAGGSA-N 1 3 224.348 1.369 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000711471731 712303408 /nfs/dbraw/zinc/30/34/08/712303408.db2.gz UWDUGUXLWWKJGH-RYUDHWBXSA-N 1 3 224.348 1.369 20 0 BDADHO C1=C[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000711683777 712317515 /nfs/dbraw/zinc/31/75/15/712317515.db2.gz FLBRLSZSNZBIJV-SNIKSBKOSA-N 1 3 218.344 1.539 20 0 BDADHO C[C@@H]1CC[N@H+](CCOC2CC2)[C@H](CN)C1 ZINC000711752640 712324741 /nfs/dbraw/zinc/32/47/41/712324741.db2.gz NFJYZFISJRQQGK-MNOVXSKESA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[N@@H+](CCOC2CC2)[C@H](CN)C1 ZINC000711752640 712324742 /nfs/dbraw/zinc/32/47/42/712324742.db2.gz NFJYZFISJRQQGK-MNOVXSKESA-N 1 3 212.337 1.225 20 0 BDADHO CC(C)CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379704366 712392660 /nfs/dbraw/zinc/39/26/60/712392660.db2.gz RYBKXISKIMWPON-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712437955 712429850 /nfs/dbraw/zinc/42/98/50/712429850.db2.gz MASLIUIWJNKMAR-VXGBXAGGSA-N 1 3 224.348 1.511 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712437955 712429851 /nfs/dbraw/zinc/42/98/51/712429851.db2.gz MASLIUIWJNKMAR-VXGBXAGGSA-N 1 3 224.348 1.511 20 0 BDADHO CCN1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712581740 712433486 /nfs/dbraw/zinc/43/34/86/712433486.db2.gz NSJVOPDBIAWRDN-MGPQQGTHSA-N 1 3 237.391 1.297 20 0 BDADHO CCN1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712581740 712433488 /nfs/dbraw/zinc/43/34/88/712433488.db2.gz NSJVOPDBIAWRDN-MGPQQGTHSA-N 1 3 237.391 1.297 20 0 BDADHO CC1(C)CC[C@H](CN2CCC[C@H](C[NH3+])C2)OC1 ZINC000713586206 712466024 /nfs/dbraw/zinc/46/60/24/712466024.db2.gz MEPMXBGKDQRULX-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO C=C/C=C/CC[NH+]1CCC(NCCO)CC1 ZINC000713757060 712471849 /nfs/dbraw/zinc/47/18/49/712471849.db2.gz DLFOBGCFGQFFTD-ONEGZZNKSA-N 1 3 224.348 1.165 20 0 BDADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714906490 712499028 /nfs/dbraw/zinc/49/90/28/712499028.db2.gz IFAQCISDUFCEKY-RFGFWPKPSA-N 1 3 220.360 1.574 20 0 BDADHO Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(N)n1 ZINC000715570001 712529296 /nfs/dbraw/zinc/52/92/96/712529296.db2.gz JMFVPPFNGVIBMO-QWRGUYRKSA-N 1 3 249.362 1.652 20 0 BDADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000716612292 712567573 /nfs/dbraw/zinc/56/75/73/712567573.db2.gz YXGGXGWZNUCSCB-VKAPNILASA-N 1 3 246.398 1.865 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CC(C)(C)CO1 ZINC000717614029 712662527 /nfs/dbraw/zinc/66/25/27/712662527.db2.gz LCLSFRBJQFLHEE-HBNTYKKESA-N 1 3 226.364 1.517 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717614029 712662528 /nfs/dbraw/zinc/66/25/28/712662528.db2.gz LCLSFRBJQFLHEE-HBNTYKKESA-N 1 3 226.364 1.517 20 0 BDADHO C[NH2+]CCCN(C)CCCC(C)(F)F ZINC000718721608 712778627 /nfs/dbraw/zinc/77/86/27/712778627.db2.gz INWIPGIHUKUMCT-UHFFFAOYSA-N 1 3 208.296 1.963 20 0 BDADHO COCC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000718793705 712784024 /nfs/dbraw/zinc/78/40/24/712784024.db2.gz XCCVMNBDENQOEB-NWDGAFQWSA-N 1 3 228.380 1.766 20 0 BDADHO COCC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000718793702 712784147 /nfs/dbraw/zinc/78/41/47/712784147.db2.gz XCCVMNBDENQOEB-NEPJUHHUSA-N 1 3 228.380 1.766 20 0 BDADHO CN(C)Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001164412782 718876500 /nfs/dbraw/zinc/87/65/00/718876500.db2.gz YZNPSUFLQRZMDU-QWHCGFSZSA-N 1 3 246.358 1.084 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCCN(C)CC2)CC1 ZINC000086818839 957697099 /nfs/dbraw/zinc/69/70/99/957697099.db2.gz GHTMNBFHXWJNLD-CYBMUJFWSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)CCN1 ZINC000709265342 960464722 /nfs/dbraw/zinc/46/47/22/960464722.db2.gz MGJWVRZSRZLTNS-DDHJBXDOSA-N 1 3 212.337 1.284 20 0 BDADHO COC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710771868 962466107 /nfs/dbraw/zinc/46/61/07/962466107.db2.gz LZEYPZVVIZOIJT-FOSCPWQOSA-N 1 3 224.348 1.380 20 0 BDADHO CO[C@H](CNCC[C@@H](C)[NH+](C)C)C1CC1 ZINC000697877179 964604545 /nfs/dbraw/zinc/60/45/45/964604545.db2.gz BBNMJJUTDKYSRG-ZYHUDNBSSA-N 1 3 214.353 1.341 20 0 BDADHO CO[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@H]1C ZINC000300005159 966489176 /nfs/dbraw/zinc/48/91/76/966489176.db2.gz KZCFNPJKNPMZGZ-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CN1 ZINC000707557871 967235713 /nfs/dbraw/zinc/23/57/13/967235713.db2.gz LKWNXFDHKHEMQP-UTUOFQBUSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C(C)(C)O)CN1 ZINC000707557871 967235724 /nfs/dbraw/zinc/23/57/24/967235724.db2.gz LKWNXFDHKHEMQP-UTUOFQBUSA-N 1 3 226.364 1.362 20 0 BDADHO [NH3+]C[C@H]1CN(CCCC2CCCCC2)C[C@H]1O ZINC001206457158 968319240 /nfs/dbraw/zinc/31/92/40/968319240.db2.gz QIWGBMPDQRCERX-UONOGXRCSA-N 1 3 240.391 1.598 20 0 BDADHO NC[C@H]1C[N@H+](CCCC2CCCCC2)C[C@H]1O ZINC001206457158 968319245 /nfs/dbraw/zinc/31/92/45/968319245.db2.gz QIWGBMPDQRCERX-UONOGXRCSA-N 1 3 240.391 1.598 20 0 BDADHO NC[C@H]1C[N@@H+](CCCC2CCCCC2)C[C@H]1O ZINC001206457158 968319251 /nfs/dbraw/zinc/31/92/51/968319251.db2.gz QIWGBMPDQRCERX-UONOGXRCSA-N 1 3 240.391 1.598 20 0 BDADHO COCC1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207274752 968708091 /nfs/dbraw/zinc/70/80/91/968708091.db2.gz GAKVJPKXLKQFNE-UHFFFAOYSA-N 1 3 242.407 1.933 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC2(CCO2)CC1 ZINC001207282786 968717804 /nfs/dbraw/zinc/71/78/04/968717804.db2.gz OHQYNILFRQDFLI-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[NH+]1C[C@H]2CN(CC3(C)COC3)C[C@@H]2C1 ZINC001207800394 968890521 /nfs/dbraw/zinc/89/05/21/968890521.db2.gz QDLHEMPTTCKWOU-STQMWFEESA-N 1 3 238.375 1.297 20 0 BDADHO CC(C)OC[C@@H](O)CNC(C)(C)CC[NH+](C)C ZINC001252697358 968921662 /nfs/dbraw/zinc/92/16/62/968921662.db2.gz YHBSRZZDQPTSTF-LBPRGKRZSA-N 1 3 246.395 1.092 20 0 BDADHO C[NH+](C)C1CCN(CC2(C)CCOCC2)CC1 ZINC001207964046 968963029 /nfs/dbraw/zinc/96/30/29/968963029.db2.gz MJSADVRGSBSZRV-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(CC1CC[NH+](CC)CC1)C1COC1 ZINC001208597092 969151037 /nfs/dbraw/zinc/15/10/37/969151037.db2.gz CHODANWYHFDFBR-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CCCC[C@H]([NH2+][C@@H]1CCCN(C)CC1)C(N)=O ZINC001254511476 969681401 /nfs/dbraw/zinc/68/14/01/969681401.db2.gz AMLHOTKIMLJTGW-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CN1CCC[C@H]([NH+]2CC3CC(C3)C2)CC1 ZINC001254530766 969726855 /nfs/dbraw/zinc/72/68/55/969726855.db2.gz HDKABADKUJVJOM-BPCQOVAHSA-N 1 3 208.349 1.813 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCCCO ZINC001255940142 970570185 /nfs/dbraw/zinc/57/01/85/970570185.db2.gz QOGYOBUSYMIIPL-GFCCVEGCSA-N 1 3 216.369 1.469 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@H](O)C1 ZINC001255946387 970582048 /nfs/dbraw/zinc/58/20/48/970582048.db2.gz UJECYKACHROAJI-SRVKXCTJSA-N 1 3 214.353 1.220 20 0 BDADHO CCN1CCN([C@@H](C)CC[NH+](CC)CC)CC1 ZINC001255955958 970593944 /nfs/dbraw/zinc/59/39/44/970593944.db2.gz XXIFNPATSBSMDU-AWEZNQCLSA-N 1 3 241.423 1.744 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957080 970594514 /nfs/dbraw/zinc/59/45/14/970594514.db2.gz ORXOGGABIHNRAR-RWMBFGLXSA-N 1 3 228.380 1.419 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957080 970594521 /nfs/dbraw/zinc/59/45/21/970594521.db2.gz ORXOGGABIHNRAR-RWMBFGLXSA-N 1 3 228.380 1.419 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+](C)CC1COC1 ZINC001255965146 970599736 /nfs/dbraw/zinc/59/97/36/970599736.db2.gz YIRXATBGMHEWCE-LBPRGKRZSA-N 1 3 228.380 1.685 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+](C)CC1COC1 ZINC001255965146 970599743 /nfs/dbraw/zinc/59/97/43/970599743.db2.gz YIRXATBGMHEWCE-LBPRGKRZSA-N 1 3 228.380 1.685 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N(C)CC1COC1 ZINC001255965146 970599750 /nfs/dbraw/zinc/59/97/50/970599750.db2.gz YIRXATBGMHEWCE-LBPRGKRZSA-N 1 3 228.380 1.685 20 0 BDADHO CCCc1cc(CN)nn1C1CC[NH+](C)CC1 ZINC001256200643 970697077 /nfs/dbraw/zinc/69/70/77/970697077.db2.gz ZGSPUKDGIHPMKC-UHFFFAOYSA-N 1 3 236.363 1.561 20 0 BDADHO OCCCCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235041441 978957161 /nfs/dbraw/zinc/95/71/61/978957161.db2.gz QIKUSFZRZWPUCS-CYBMUJFWSA-N 1 3 226.364 1.367 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980498 979242000 /nfs/dbraw/zinc/24/20/00/979242000.db2.gz PRVNLFAJTBQILH-WOPDTQHZSA-N 1 3 208.305 1.102 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980498 979242011 /nfs/dbraw/zinc/24/20/11/979242011.db2.gz PRVNLFAJTBQILH-WOPDTQHZSA-N 1 3 208.305 1.102 20 0 BDADHO CC[C@H](N)C[N@H+](C)CCCc1cccnc1 ZINC001236861256 979766787 /nfs/dbraw/zinc/76/67/87/979766787.db2.gz XZCVFTSFCCBIPX-ZDUSSCGKSA-N 1 3 221.348 1.683 20 0 BDADHO CC[C@H](N)C[N@@H+](C)CCCc1cccnc1 ZINC001236861256 979766798 /nfs/dbraw/zinc/76/67/98/979766798.db2.gz XZCVFTSFCCBIPX-ZDUSSCGKSA-N 1 3 221.348 1.683 20 0 BDADHO OC[C@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC001580882252 981689034 /nfs/dbraw/zinc/68/90/34/981689034.db2.gz PSCMJTHVVYCIDQ-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO CCOCC[C@H](C)[NH+]1CCC(N(C)C)CC1 ZINC001172423177 974696834 /nfs/dbraw/zinc/69/68/34/974696834.db2.gz JXODVSGFCADLNV-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H]1CC([N@@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246588375 972991441 /nfs/dbraw/zinc/99/14/41/972991441.db2.gz YZYVOICBZIUTPA-ZPFDUUQYSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC([N@H+]2C[C@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246588375 972991472 /nfs/dbraw/zinc/99/14/72/972991472.db2.gz YZYVOICBZIUTPA-ZPFDUUQYSA-N 1 3 226.364 1.063 20 0 BDADHO CCCC[C@H](CC)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246641560 973062946 /nfs/dbraw/zinc/06/29/46/973062946.db2.gz JBAFKBNWPNZEED-UONOGXRCSA-N 1 3 239.407 1.593 20 0 BDADHO CC(C)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403264638 970899389 /nfs/dbraw/zinc/89/93/89/970899389.db2.gz ZETMURPZTYLMGQ-SECBINFHSA-N 1 3 206.280 1.558 20 0 BDADHO C[C@@H](Cc1ccncc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001256745567 970980791 /nfs/dbraw/zinc/98/07/91/970980791.db2.gz NNWQBEGPVYOAHP-AEGPPILISA-N 1 3 245.370 1.506 20 0 BDADHO C[C@@H](Cc1ccncc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001256745567 970980798 /nfs/dbraw/zinc/98/07/98/970980798.db2.gz NNWQBEGPVYOAHP-AEGPPILISA-N 1 3 245.370 1.506 20 0 BDADHO CC(C)(CN)[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256898565 971011391 /nfs/dbraw/zinc/01/13/91/971011391.db2.gz NGCZZZUCRJALAX-LBPRGKRZSA-N 1 3 239.407 1.720 20 0 BDADHO C[N@H+]([C@H]1COC(C)(C)C1)C(C)(C)CN ZINC000307139383 971123192 /nfs/dbraw/zinc/12/31/92/971123192.db2.gz BAJRNABZUIIICK-SECBINFHSA-N 1 3 200.326 1.223 20 0 BDADHO C[N@@H+]([C@H]1COC(C)(C)C1)C(C)(C)CN ZINC000307139383 971123199 /nfs/dbraw/zinc/12/31/99/971123199.db2.gz BAJRNABZUIIICK-SECBINFHSA-N 1 3 200.326 1.223 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@H](O)C[C@H]2C)CC1 ZINC001257217837 971133350 /nfs/dbraw/zinc/13/33/50/971133350.db2.gz PDEJDPZZVKOPIZ-TZMCWYRMSA-N 1 3 240.391 1.704 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)C(C)(C)O ZINC000405226905 971214946 /nfs/dbraw/zinc/21/49/46/971214946.db2.gz DNSLWPOYUXSLCK-OUAUKWLOSA-N 1 3 226.364 1.395 20 0 BDADHO c1cc2c[nH+]c(N3CCN4CC[C@@H]4C3)cc2[nH]1 ZINC001158422467 971218251 /nfs/dbraw/zinc/21/82/51/971218251.db2.gz AXVHPRSKTILIST-LLVKDONJSA-N 1 3 228.299 1.457 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241214 971218214 /nfs/dbraw/zinc/21/82/14/971218214.db2.gz BDOKMRMSCOUXNY-WOPDTQHZSA-N 1 3 234.347 1.131 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405241214 971218228 /nfs/dbraw/zinc/21/82/28/971218228.db2.gz BDOKMRMSCOUXNY-WOPDTQHZSA-N 1 3 234.347 1.131 20 0 BDADHO C[C@@H](Nc1cc[nH+]c(C2CC2)c1)[C@@H]1CNCCO1 ZINC001170572883 971223658 /nfs/dbraw/zinc/22/36/58/971223658.db2.gz IERDNVBDSXRSTD-YGRLFVJLSA-N 1 3 247.342 1.748 20 0 BDADHO CN(C)c1cc[nH+]c(N2CCN3CC[C@@H]3C2)c1 ZINC001158423997 971225495 /nfs/dbraw/zinc/22/54/95/971225495.db2.gz QYACCBFTYYDWHU-GFCCVEGCSA-N 1 3 232.331 1.042 20 0 BDADHO C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405294384 971233444 /nfs/dbraw/zinc/23/34/44/971233444.db2.gz FMYREWQOKAEESN-UTUOFQBUSA-N 1 3 234.347 1.131 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CC2(O)CCCCC2)C12CCC2 ZINC000405336930 971239308 /nfs/dbraw/zinc/23/93/08/971239308.db2.gz FVJKFQDUYRYZDC-RYUDHWBXSA-N 1 3 238.375 1.541 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405388007 971248606 /nfs/dbraw/zinc/24/86/06/971248606.db2.gz FPOXILWSTAIDBR-MNOVXSKESA-N 1 3 226.364 1.397 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405411536 971254026 /nfs/dbraw/zinc/25/40/26/971254026.db2.gz NGBCXAZPETVUEF-QJPTWQEYSA-N 1 3 226.364 1.253 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405411536 971254036 /nfs/dbraw/zinc/25/40/36/971254036.db2.gz NGBCXAZPETVUEF-QJPTWQEYSA-N 1 3 226.364 1.253 20 0 BDADHO CN1CC2(C1)CC[NH+](C1CCCC1)CC2 ZINC001257355979 971269494 /nfs/dbraw/zinc/26/94/94/971269494.db2.gz PHRSTWYDKIEIJD-UHFFFAOYSA-N 1 3 208.349 1.957 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)C1 ZINC000405694495 971294181 /nfs/dbraw/zinc/29/41/81/971294181.db2.gz XPCINSWCSVVHGF-YVECIDJPSA-N 1 3 226.364 1.341 20 0 BDADHO CC1(C)N[C@@H](CO[C@@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936262 971538352 /nfs/dbraw/zinc/53/83/52/971538352.db2.gz DMNQBDHXNXUVBZ-WDEREUQCSA-N 1 3 242.363 1.258 20 0 BDADHO F[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2c1CNC2 ZINC001218069712 971594472 /nfs/dbraw/zinc/59/44/72/971594472.db2.gz JZTDENSPONGTGD-DGCLKSJQSA-N 1 3 236.290 1.369 20 0 BDADHO c1cc2c(c(O[C@@H]3CC[C@]34CC[NH2+]C4)c1)CNC2 ZINC001218119664 971602833 /nfs/dbraw/zinc/60/28/33/971602833.db2.gz RJBDTFAIJDJTCT-HUUCEWRRSA-N 1 3 244.338 1.811 20 0 BDADHO C[C@@H]1[NH2+]C[C@@H]1Oc1cccc2c1CNC2 ZINC001218384112 971760290 /nfs/dbraw/zinc/76/02/90/971760290.db2.gz CIFYLGQBTBBBJX-UFBFGSQYSA-N 1 3 204.273 1.029 20 0 BDADHO c1cc2c(c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]34)c1)CNC2 ZINC001218458808 971824476 /nfs/dbraw/zinc/82/44/76/971824476.db2.gz DJWJVEZUXOTIMI-UXIGCNINSA-N 1 3 244.338 1.667 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCCOCC1 ZINC001170792824 971833011 /nfs/dbraw/zinc/83/30/11/971833011.db2.gz TXSNANOTDBPMGD-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCCOCC1 ZINC001170792824 971833018 /nfs/dbraw/zinc/83/30/18/971833018.db2.gz TXSNANOTDBPMGD-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2[nH]ccc2c1 ZINC001218807183 971944587 /nfs/dbraw/zinc/94/45/87/971944587.db2.gz PRPKVGIUCMFLHB-NSHDSACASA-N 1 3 246.314 1.173 20 0 BDADHO CC[N@H+](C)C1CCN([C@@H]2CCCOCC2)CC1 ZINC001170838730 971958646 /nfs/dbraw/zinc/95/86/46/971958646.db2.gz BIEIOZMTACJFCP-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@@H+](C)C1CCN([C@@H]2CCCOCC2)CC1 ZINC001170838730 971958650 /nfs/dbraw/zinc/95/86/50/971958650.db2.gz BIEIOZMTACJFCP-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO CCN(C)C1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170838730 971958654 /nfs/dbraw/zinc/95/86/54/971958654.db2.gz BIEIOZMTACJFCP-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135706383 971965512 /nfs/dbraw/zinc/96/55/12/971965512.db2.gz UBHJXEUASMHGRI-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO O=C(Nc1cccc2c1CNC2)C1CC[NH2+]CC1 ZINC001218994134 971971325 /nfs/dbraw/zinc/97/13/25/971971325.db2.gz BRSMYHKFBDIEEF-UHFFFAOYSA-N 1 3 245.326 1.228 20 0 BDADHO CCOc1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170900568 972065931 /nfs/dbraw/zinc/06/59/31/972065931.db2.gz WKYAGMAVOVLZNN-LBPRGKRZSA-N 1 3 223.320 1.521 20 0 BDADHO Cc1ccnc2cc(N[C@H](N)CCC[NH3+])ccc12 ZINC001170900495 972066497 /nfs/dbraw/zinc/06/64/97/972066497.db2.gz LVUVMRLNTNFXQW-AWEZNQCLSA-N 1 3 244.342 1.979 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccccc1C1CC1 ZINC001170902117 972075949 /nfs/dbraw/zinc/07/59/49/972075949.db2.gz BEKGDVIGHZXDEG-CYBMUJFWSA-N 1 3 219.332 2.000 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@H+](C[C@H](O)c2ccccc2)C1 ZINC001246025836 972119309 /nfs/dbraw/zinc/11/93/09/972119309.db2.gz UUIIYEYNIARZEN-YUELXQCFSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC001246025836 972119312 /nfs/dbraw/zinc/11/93/12/972119312.db2.gz UUIIYEYNIARZEN-YUELXQCFSA-N 1 3 248.370 1.779 20 0 BDADHO CCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246025541 972121190 /nfs/dbraw/zinc/12/11/90/972121190.db2.gz CIHZYIGUDZKXLS-GRYCIOLGSA-N 1 3 214.353 1.207 20 0 BDADHO CCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC001246025541 972121194 /nfs/dbraw/zinc/12/11/94/972121194.db2.gz CIHZYIGUDZKXLS-GRYCIOLGSA-N 1 3 214.353 1.207 20 0 BDADHO C1CN2CCC1C[C@@H](N[C@@H]1CCCC[NH2+]C1)C2 ZINC001246091930 972145968 /nfs/dbraw/zinc/14/59/68/972145968.db2.gz RAAYMROMBLYENU-ZIAGYGMSSA-N 1 3 237.391 1.202 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]1C[NH2+]CC[C@H]1C ZINC001246108602 972171754 /nfs/dbraw/zinc/17/17/54/972171754.db2.gz CNXWMXYSVDHHTH-MGPQQGTHSA-N 1 3 247.386 1.848 20 0 BDADHO CCN1CC[C@H](NC[C@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246105169 972168612 /nfs/dbraw/zinc/16/86/12/972168612.db2.gz MLKNLNPQOWKMRU-XQQFMLRXSA-N 1 3 225.380 1.058 20 0 BDADHO CO[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246235239 972240436 /nfs/dbraw/zinc/24/04/36/972240436.db2.gz GHLXCWWKQWSZAE-FDYHWXHSSA-N 1 3 226.364 1.674 20 0 BDADHO COCCCN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001209055304 957306297 /nfs/dbraw/zinc/30/62/97/957306297.db2.gz UUGTVDQZBAPILM-UHFFFAOYSA-N 1 3 249.358 1.549 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001246312093 972273192 /nfs/dbraw/zinc/27/31/92/972273192.db2.gz FPOGXOITVCTBDU-VWYCJHECSA-N 1 3 228.336 1.045 20 0 BDADHO C[C@H](Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CNCCO1 ZINC000169193420 957996781 /nfs/dbraw/zinc/99/67/81/957996781.db2.gz HBWSLHAERGLKOX-HZMBPMFUSA-N 1 3 247.342 1.079 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@@H]1[NH3+] ZINC000693392874 958353440 /nfs/dbraw/zinc/35/34/40/958353440.db2.gz LZPHQNXVEWFLHJ-ZIQFBCGOSA-N 1 3 244.329 1.947 20 0 BDADHO CC[C@H](C)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403216714 958429847 /nfs/dbraw/zinc/42/98/47/958429847.db2.gz GUHCHZMXIDPGAF-VHSXEESVSA-N 1 3 220.307 1.948 20 0 BDADHO COc1cnccc1CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246474896 972348565 /nfs/dbraw/zinc/34/85/65/972348565.db2.gz CDMBPBJRJYRPSU-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO COc1cnccc1CC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246474896 972348569 /nfs/dbraw/zinc/34/85/69/972348569.db2.gz CDMBPBJRJYRPSU-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cscn1 ZINC000693599096 958926918 /nfs/dbraw/zinc/92/69/18/958926918.db2.gz RQUNYUPXFBDVLK-IWSPIJDZSA-N 1 3 211.334 1.531 20 0 BDADHO OCCN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222155292 972396838 /nfs/dbraw/zinc/39/68/38/972396838.db2.gz ZHPAAIMLQFNGAW-ZDUSSCGKSA-N 1 3 226.364 1.225 20 0 BDADHO CSCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246529484 972417172 /nfs/dbraw/zinc/41/71/72/972417172.db2.gz KMQBXEHAFRRZTC-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO CSCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246529484 972417181 /nfs/dbraw/zinc/41/71/81/972417181.db2.gz KMQBXEHAFRRZTC-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO C[C@H]1CSC[C@H]1[NH2+]CCCN1CCCC1 ZINC000308963255 959550227 /nfs/dbraw/zinc/55/02/27/959550227.db2.gz KQMOWRJLUJYFAS-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO CN1CC[C@@H]([N@H+](C)Cc2c[nH]c3ccncc23)C1 ZINC001140806661 959889005 /nfs/dbraw/zinc/88/90/05/959889005.db2.gz NICVVDAIRMAAGF-GFCCVEGCSA-N 1 3 244.342 1.699 20 0 BDADHO CN1CC[C@@H]([N@@H+](C)Cc2c[nH]c3ccncc23)C1 ZINC001140806661 959889010 /nfs/dbraw/zinc/88/90/10/959889010.db2.gz NICVVDAIRMAAGF-GFCCVEGCSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@H]1C[N@@H+]([C@@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC000708863801 959986353 /nfs/dbraw/zinc/98/63/53/959986353.db2.gz QBENWURXWAKFGV-IRCOFANPSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1C[N@H+]([C@@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC000708863801 959986361 /nfs/dbraw/zinc/98/63/61/959986361.db2.gz QBENWURXWAKFGV-IRCOFANPSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1CC(N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC000694767073 959991631 /nfs/dbraw/zinc/99/16/31/959991631.db2.gz XMVJWXYBFFCVCS-HNCHTBHHSA-N 1 3 226.364 1.673 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCCC[C@@H](C[NH3+])C1 ZINC000709028639 960217765 /nfs/dbraw/zinc/21/77/65/960217765.db2.gz BRLKLPGFIVWLOL-LBPRGKRZSA-N 1 3 236.363 1.587 20 0 BDADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]C(C)C)N(C)C ZINC001267827504 960410116 /nfs/dbraw/zinc/41/01/16/960410116.db2.gz KIWWMDGJRBGHGG-NWDGAFQWSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H]1C[C@H](NCCN2CCCCC2)CC[NH2+]1 ZINC000709376318 960535893 /nfs/dbraw/zinc/53/58/93/960535893.db2.gz PLXJOLCHFCRFPS-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO CC(C)(O)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709449357 960615354 /nfs/dbraw/zinc/61/53/54/960615354.db2.gz SBCSZGJWDQOPJC-ZACCUICWSA-N 1 3 212.337 1.020 20 0 BDADHO CSC1CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 ZINC000709449030 960615778 /nfs/dbraw/zinc/61/57/78/960615778.db2.gz NLTMKUFCDZGYFI-QWRGUYRKSA-N 1 3 228.405 1.954 20 0 BDADHO C[C@]1(O)CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709480464 960619521 /nfs/dbraw/zinc/61/95/21/960619521.db2.gz SMWBDHZMTQHLPH-HNGCFSAESA-N 1 3 224.348 1.116 20 0 BDADHO CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001268010507 960728519 /nfs/dbraw/zinc/72/85/19/960728519.db2.gz ORGKEJAOSICAGP-NWDGAFQWSA-N 1 3 243.395 1.079 20 0 BDADHO N=CNc1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001167866760 961349615 /nfs/dbraw/zinc/34/96/15/961349615.db2.gz DNGWABNNOMIHPA-UHFFFAOYSA-N 1 3 244.298 1.279 20 0 BDADHO CN(C)c1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154976952 962926899 /nfs/dbraw/zinc/92/68/99/962926899.db2.gz LWNBDXVLZPVYNJ-MNOVXSKESA-N 1 3 234.347 1.829 20 0 BDADHO N[C@H]1CN(CCCCCC[NH3+])CCC1(F)F ZINC001206657029 963126663 /nfs/dbraw/zinc/12/66/63/963126663.db2.gz OGAQMZITPMFSMH-JTQLQIEISA-N 1 3 235.322 1.174 20 0 BDADHO OCCC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000697029332 963663362 /nfs/dbraw/zinc/66/33/62/963663362.db2.gz LZKLIHXDQNWPGN-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO C[NH+](C)Cc1ccnc(N2CCN3CC[C@H]3C2)c1 ZINC001158431096 963872122 /nfs/dbraw/zinc/87/21/22/963872122.db2.gz NJBLJNDJWBTFCN-ZDUSSCGKSA-N 1 3 246.358 1.038 20 0 BDADHO [NH3+]Cc1ccn(-c2cc(N3CCCC3)ccn2)c1 ZINC001158767489 963921380 /nfs/dbraw/zinc/92/13/80/963921380.db2.gz ZGMXONIMPOBXDZ-UHFFFAOYSA-N 1 3 242.326 1.931 20 0 BDADHO C[NH+](C)C1CCC(n2ncc3c2CCNC3)CC1 ZINC001168314063 964420098 /nfs/dbraw/zinc/42/00/98/964420098.db2.gz JFGCAIAESYLZMM-UHFFFAOYSA-N 1 3 248.374 1.574 20 0 BDADHO C[NH+](C)C1CCC(N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001168313431 964421303 /nfs/dbraw/zinc/42/13/03/964421303.db2.gz CRDWWJGPCUWUAX-LLZFXZEUSA-N 1 3 238.375 1.722 20 0 BDADHO CN(C1COC1)C1CCC([NH+](C)C)CC1 ZINC001168324237 964447081 /nfs/dbraw/zinc/44/70/81/964447081.db2.gz LKKUBQJMGTTWMY-UHFFFAOYSA-N 1 3 212.337 1.190 20 0 BDADHO c1cnn(CCNC2CC[NH+](CC3CC3)CC2)c1 ZINC001168353405 964493618 /nfs/dbraw/zinc/49/36/18/964493618.db2.gz NYFOFACGIMYBAH-UHFFFAOYSA-N 1 3 248.374 1.347 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)N(C)C)C12CCC2 ZINC000697824306 964539377 /nfs/dbraw/zinc/53/93/77/964539377.db2.gz BQYQKKRVHQIBOP-FRRDWIJNSA-N 1 3 240.391 1.874 20 0 BDADHO COCC[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000697870294 964595942 /nfs/dbraw/zinc/59/59/42/964595942.db2.gz KNOSDDLXFRFYTQ-WDEREUQCSA-N 1 3 202.342 1.341 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CS[C@H](C)C1)N(C)C ZINC000697872910 964600059 /nfs/dbraw/zinc/60/00/59/964600059.db2.gz SETARAPDQSRLIY-HBNTYKKESA-N 1 3 216.394 1.810 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CS[C@H](C)C1)N(C)C ZINC000697872897 964600211 /nfs/dbraw/zinc/60/02/11/964600211.db2.gz SETARAPDQSRLIY-AXFHLTTASA-N 1 3 216.394 1.810 20 0 BDADHO CN(C)c1cccc(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162325305 964931974 /nfs/dbraw/zinc/93/19/74/964931974.db2.gz VBXLOGGRUITVGF-WVSHTKLVSA-N 1 3 220.320 1.439 20 0 BDADHO Cc1cc(C)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001162790816 965175364 /nfs/dbraw/zinc/17/53/64/965175364.db2.gz WCGXSBGBKKOSSL-FRRDWIJNSA-N 1 3 229.327 1.884 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168414296 965319857 /nfs/dbraw/zinc/31/98/57/965319857.db2.gz DOBFOGKIKFJUOT-IINYFYTJSA-N 1 3 236.334 1.867 20 0 BDADHO CN(C)Cc1ccnc(NCC2([NH3+])CCC2)c1 ZINC001163328627 965335625 /nfs/dbraw/zinc/33/56/25/965335625.db2.gz XVGNYKJEYNIIDP-UHFFFAOYSA-N 1 3 234.347 1.437 20 0 BDADHO C[C@@H](C[NH+](C)C)Nc1ccc2c(n1)CNCC2 ZINC001163772733 965576121 /nfs/dbraw/zinc/57/61/21/965576121.db2.gz ONYJCHFCJQJGFV-JTQLQIEISA-N 1 3 234.347 1.089 20 0 BDADHO Cc1cc(CN)nn1-c1ccc(C2([NH3+])CC2)cc1 ZINC001163984691 965680375 /nfs/dbraw/zinc/68/03/75/965680375.db2.gz ARPIUVUDGOMHHA-UHFFFAOYSA-N 1 3 242.326 1.587 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc(CO)cc2)CC1 ZINC001205094210 965727165 /nfs/dbraw/zinc/72/71/65/965727165.db2.gz KMRKTJARVJRISQ-AWEZNQCLSA-N 1 3 234.343 1.492 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc(CO)cc2)CC1 ZINC001205094222 965727203 /nfs/dbraw/zinc/72/72/03/965727203.db2.gz KMRKTJARVJRISQ-CQSZACIVSA-N 1 3 234.343 1.492 20 0 BDADHO Cc1nc2ccc(N[C@H]3CC[N@@H+](C)C3)cc2[nH]1 ZINC000061988608 966181080 /nfs/dbraw/zinc/18/10/80/966181080.db2.gz DUEKIEYZIPNXKZ-NSHDSACASA-N 1 3 230.315 1.987 20 0 BDADHO Cc1nc2ccc(N[C@H]3CC[N@H+](C)C3)cc2[nH]1 ZINC000061988608 966181087 /nfs/dbraw/zinc/18/10/87/966181087.db2.gz DUEKIEYZIPNXKZ-NSHDSACASA-N 1 3 230.315 1.987 20 0 BDADHO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001235994195 966219231 /nfs/dbraw/zinc/21/92/31/966219231.db2.gz UWTHLHYRFQKKCU-BXUZGUMPSA-N 1 3 242.326 1.486 20 0 BDADHO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc3cnccc3[nH]1)C2 ZINC001235994195 966219245 /nfs/dbraw/zinc/21/92/45/966219245.db2.gz UWTHLHYRFQKKCU-BXUZGUMPSA-N 1 3 242.326 1.486 20 0 BDADHO Cc1c[nH+]c(N2CC[C@H](N)C(F)(F)C2)cc1C ZINC001166959672 966483883 /nfs/dbraw/zinc/48/38/83/966483883.db2.gz AVQFGVXTMQCXLT-JTQLQIEISA-N 1 3 241.285 1.871 20 0 BDADHO CCc1[nH]ncc1CN1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001237656017 966687777 /nfs/dbraw/zinc/68/77/77/966687777.db2.gz SGBJVXIHHFRZKL-CHWSQXEVSA-N 1 3 248.374 1.356 20 0 BDADHO CCOC(C)(C)CN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064341 967319344 /nfs/dbraw/zinc/31/93/44/967319344.db2.gz MTRNCEIZVZKTMY-QWRGUYRKSA-N 1 3 214.353 1.613 20 0 BDADHO N[C@H]1CCCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001205940049 967893735 /nfs/dbraw/zinc/89/37/35/967893735.db2.gz ZHQYNRZKTKZHAP-ZDUSSCGKSA-N 1 3 245.370 1.968 20 0 BDADHO N[C@H]1CCCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001205940049 967893740 /nfs/dbraw/zinc/89/37/40/967893740.db2.gz ZHQYNRZKTKZHAP-ZDUSSCGKSA-N 1 3 245.370 1.968 20 0 BDADHO Cc1nc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)co1 ZINC001205992547 967942652 /nfs/dbraw/zinc/94/26/52/967942652.db2.gz FFOMAJGNAAAODP-PWSUYJOCSA-N 1 3 237.347 1.790 20 0 BDADHO C[C@@H]1C[N@H+](Cc2cccc3c2CCN3)C[C@H]1N ZINC001206075719 968042703 /nfs/dbraw/zinc/04/27/03/968042703.db2.gz WHIMKFYEOMNVLS-ZWNOBZJWSA-N 1 3 231.343 1.434 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2cccc3c2CCN3)C[C@H]1N ZINC001206075719 968042710 /nfs/dbraw/zinc/04/27/10/968042710.db2.gz WHIMKFYEOMNVLS-ZWNOBZJWSA-N 1 3 231.343 1.434 20 0 BDADHO CCN(CC)CC(=O)NCCC[NH2+]CC(C)C ZINC001168763168 968062400 /nfs/dbraw/zinc/06/24/00/968062400.db2.gz KZZWUKVYRYWWTD-UHFFFAOYSA-N 1 3 243.395 1.080 20 0 BDADHO C[NH2+]C1CN(c2ccc(CN(C)C3CC3)cn2)C1 ZINC001163704580 968102495 /nfs/dbraw/zinc/10/24/95/968102495.db2.gz APWJRLUXFSJDDY-UHFFFAOYSA-N 1 3 246.358 1.084 20 0 BDADHO N[C@@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163524 968105091 /nfs/dbraw/zinc/10/50/91/968105091.db2.gz DEMOOEZOKVEPQP-CHWSQXEVSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163524 968105100 /nfs/dbraw/zinc/10/51/00/968105100.db2.gz DEMOOEZOKVEPQP-CHWSQXEVSA-N 1 3 238.306 1.653 20 0 BDADHO CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206457638 968319904 /nfs/dbraw/zinc/31/99/04/968319904.db2.gz SDQXYULQSIYACY-HZSPNIEDSA-N 1 3 240.391 1.620 20 0 BDADHO CC(C)=CCC[C@@H](C)C[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206457638 968319911 /nfs/dbraw/zinc/31/99/11/968319911.db2.gz SDQXYULQSIYACY-HZSPNIEDSA-N 1 3 240.391 1.620 20 0 BDADHO [NH3+]C[C@H]1CN(CCCC2CCCC2)C[C@@H]1O ZINC001206512431 968346289 /nfs/dbraw/zinc/34/62/89/968346289.db2.gz OWMMUSMVOXFBCU-STQMWFEESA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@H]1C[N@H+](CCCC2CCCC2)C[C@@H]1O ZINC001206512431 968346295 /nfs/dbraw/zinc/34/62/95/968346295.db2.gz OWMMUSMVOXFBCU-STQMWFEESA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1O ZINC001206512431 968346302 /nfs/dbraw/zinc/34/63/02/968346302.db2.gz OWMMUSMVOXFBCU-STQMWFEESA-N 1 3 226.364 1.208 20 0 BDADHO C[C@@]1(CN)CCCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548154 968373653 /nfs/dbraw/zinc/37/36/53/968373653.db2.gz HQJBUOPRQMULEN-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@@]1(CN)CCCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001206548154 968373662 /nfs/dbraw/zinc/37/36/62/968373662.db2.gz HQJBUOPRQMULEN-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO CCCC[N@H+](C)CCCNC[C@H](C)O ZINC001251969851 968412209 /nfs/dbraw/zinc/41/22/09/968412209.db2.gz ZGNYVNXBGVLYIX-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CCCC[N@@H+](C)CCCNC[C@H](C)O ZINC001251969851 968412212 /nfs/dbraw/zinc/41/22/12/968412212.db2.gz ZGNYVNXBGVLYIX-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CCCCN(C)CCC[NH2+]C[C@H](C)O ZINC001251969851 968412215 /nfs/dbraw/zinc/41/22/15/968412215.db2.gz ZGNYVNXBGVLYIX-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CCN1C[C@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207012808 968551139 /nfs/dbraw/zinc/55/11/39/968551139.db2.gz ZAAVISJAPDTUAN-STQMWFEESA-N 1 3 247.342 1.171 20 0 BDADHO C/C(=C\C=C\N)[NH2+]CC(C)(C)CN(C)C ZINC001168768322 968570283 /nfs/dbraw/zinc/57/02/83/968570283.db2.gz TWXIJBQBKJRNQA-JMFBPXTISA-N 1 3 211.353 1.540 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125755 968642907 /nfs/dbraw/zinc/64/29/07/968642907.db2.gz LQGWGHSSNUZISE-BETUJISGSA-N 1 3 247.342 1.171 20 0 BDADHO CCN1C[C@@H]2C[N@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125755 968642916 /nfs/dbraw/zinc/64/29/16/968642916.db2.gz LQGWGHSSNUZISE-BETUJISGSA-N 1 3 247.342 1.171 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CC2CC(C2)C1 ZINC001207288229 968720225 /nfs/dbraw/zinc/72/02/25/968720225.db2.gz KJQDERORRJPQED-UHFFFAOYSA-N 1 3 210.365 1.916 20 0 BDADHO C[NH+]1CCC(CCN2C[C@@H](F)C[C@H]2CO)CC1 ZINC001207479412 968794520 /nfs/dbraw/zinc/79/45/20/968794520.db2.gz IILJHAAICOZAMP-STQMWFEESA-N 1 3 244.354 1.123 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(CC3(C)COC3)C[C@H]2C1 ZINC001207800393 968890354 /nfs/dbraw/zinc/89/03/54/968890354.db2.gz QDLHEMPTTCKWOU-CHWSQXEVSA-N 1 3 238.375 1.297 20 0 BDADHO CCC[C@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001252799093 968981037 /nfs/dbraw/zinc/98/10/37/968981037.db2.gz PNCDYKNMINBFLN-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@H](O)CNCCC[NH+]1CCC(C)CC1 ZINC001252799093 968981045 /nfs/dbraw/zinc/98/10/45/968981045.db2.gz PNCDYKNMINBFLN-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO CC(=O)[C@H]1CC[N@@H+](CC2(C)CCN(C)CC2)C1 ZINC001208112255 969009985 /nfs/dbraw/zinc/00/99/85/969009985.db2.gz UKJPFUZVWSAJOD-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO CC(=O)[C@H]1CC[N@H+](CC2(C)CCN(C)CC2)C1 ZINC001208112255 969009998 /nfs/dbraw/zinc/00/99/98/969009998.db2.gz UKJPFUZVWSAJOD-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1CCC1 ZINC001253411691 969166729 /nfs/dbraw/zinc/16/67/29/969166729.db2.gz STTQJWXDQQHHRH-JQWIXIFHSA-N 1 3 228.380 1.514 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@@H](O)C(C)(C)C)CC2 ZINC001253730357 969353882 /nfs/dbraw/zinc/35/38/82/969353882.db2.gz SZCMOCPJLQDDFQ-GFCCVEGCSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096155 969384299 /nfs/dbraw/zinc/38/42/99/969384299.db2.gz VAEVIKBARYCQOI-RVMXOQNASA-N 1 3 225.380 1.151 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@@](C)(O)C1)C2 ZINC001169097891 969392064 /nfs/dbraw/zinc/39/20/64/969392064.db2.gz DWJUISPRVOENSN-WOPNUFJOSA-N 1 3 224.348 1.115 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@@](C)(O)C1)C2 ZINC001169097891 969392067 /nfs/dbraw/zinc/39/20/67/969392067.db2.gz DWJUISPRVOENSN-WOPNUFJOSA-N 1 3 224.348 1.115 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(O)CC1)C2 ZINC001169125295 969424346 /nfs/dbraw/zinc/42/43/46/969424346.db2.gz YKXLTNPCQWBRSZ-ZSBIGDGJSA-N 1 3 224.348 1.068 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(O)CC1)C2 ZINC001169125295 969424353 /nfs/dbraw/zinc/42/43/53/969424353.db2.gz YKXLTNPCQWBRSZ-ZSBIGDGJSA-N 1 3 224.348 1.068 20 0 BDADHO COC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)OC ZINC001169108385 969444023 /nfs/dbraw/zinc/44/40/23/969444023.db2.gz SHPTYTPGNVBSJB-ZSBIGDGJSA-N 1 3 242.363 1.210 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(CN)nc1)C2 ZINC001169114814 969459037 /nfs/dbraw/zinc/45/90/37/969459037.db2.gz YXTDGQRBXYDJCL-BTTYYORXSA-N 1 3 246.358 1.577 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(CN)nc1)C2 ZINC001169114814 969459046 /nfs/dbraw/zinc/45/90/46/969459046.db2.gz YXTDGQRBXYDJCL-BTTYYORXSA-N 1 3 246.358 1.577 20 0 BDADHO CN(C)C1CN(CCC[NH+]2CCCCC2)C1 ZINC001209448101 969518305 /nfs/dbraw/zinc/51/83/05/969518305.db2.gz MZAOCWJAXOKNED-UHFFFAOYSA-N 1 3 225.380 1.108 20 0 BDADHO C[C@@H](N)c1ccn(-c2cccc3c2CC[C@@H]3[NH3+])n1 ZINC001169235765 969525665 /nfs/dbraw/zinc/52/56/65/969525665.db2.gz ZMTXSCLWFTUIOV-SKDRFNHKSA-N 1 3 242.326 1.838 20 0 BDADHO CN1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001254504463 969672067 /nfs/dbraw/zinc/67/20/67/969672067.db2.gz BKKYRXVMZKGOHF-QJPTWQEYSA-N 1 3 230.327 1.187 20 0 BDADHO CN1CCC[C@H]([NH2+]C2COC(C)(C)OC2)CC1 ZINC001254506412 969676437 /nfs/dbraw/zinc/67/64/37/969676437.db2.gz RTXMYQQKMRMXSR-NSHDSACASA-N 1 3 242.363 1.212 20 0 BDADHO COC(C)(C[NH2+][C@@H]1CCCN(C)CC1)OC ZINC001254509083 969678389 /nfs/dbraw/zinc/67/83/89/969678389.db2.gz VRSKHHHIOQILTI-LLVKDONJSA-N 1 3 230.352 1.069 20 0 BDADHO CN(C)Cc1ccc(NCC[C@H]2CCC[NH2+]2)nc1 ZINC001169562727 969759501 /nfs/dbraw/zinc/75/95/01/969759501.db2.gz IPQCABLGIXFOPT-CYBMUJFWSA-N 1 3 248.374 1.697 20 0 BDADHO c1nn([C@@H]2CC3CC[NH+](CC3)C2)c2c1CNCC2 ZINC001254855167 969807467 /nfs/dbraw/zinc/80/74/67/969807467.db2.gz LCQCVTNIARECRC-CYBMUJFWSA-N 1 3 246.358 1.186 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC001255443134 970176348 /nfs/dbraw/zinc/17/63/48/970176348.db2.gz KDUUHJFJSIRDMO-QWHCGFSZSA-N 1 3 225.380 1.105 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC001255443134 970176354 /nfs/dbraw/zinc/17/63/54/970176354.db2.gz KDUUHJFJSIRDMO-QWHCGFSZSA-N 1 3 225.380 1.105 20 0 BDADHO CCN(CCn1ccnc1)[C@H]1CCC[N@H+](C)C1 ZINC001255495956 970258991 /nfs/dbraw/zinc/25/89/91/970258991.db2.gz VYGKZZXWEZSAPI-ZDUSSCGKSA-N 1 3 236.363 1.299 20 0 BDADHO CCN(CCn1ccnc1)[C@H]1CCC[N@@H+](C)C1 ZINC001255495956 970259000 /nfs/dbraw/zinc/25/90/00/970259000.db2.gz VYGKZZXWEZSAPI-ZDUSSCGKSA-N 1 3 236.363 1.299 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC1COC1 ZINC001255941511 970569895 /nfs/dbraw/zinc/56/98/95/970569895.db2.gz SGFIIPIVOUTQQE-NSHDSACASA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H]([NH3+])c1ccc(NCC2CN(C)C2)cn1 ZINC001170257861 970639919 /nfs/dbraw/zinc/63/99/19/970639919.db2.gz BPSQWHOVIBDEGP-VIFPVBQESA-N 1 3 220.320 1.075 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000400986570 970654017 /nfs/dbraw/zinc/65/40/17/970654017.db2.gz UPBDZZKTECLAOT-XKGSQUFQSA-N 1 3 241.379 1.136 20 0 BDADHO C[C@@H](N)c1nccn1C1CC[NH+](C)CC1 ZINC001256195110 970691713 /nfs/dbraw/zinc/69/17/13/970691713.db2.gz ZPDKWRHLLTZVDL-SECBINFHSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1CO[C@@H](C)C1 ZINC000401903151 970744751 /nfs/dbraw/zinc/74/47/51/970744751.db2.gz GGAYTNXSAWBLQV-VWYCJHECSA-N 1 3 200.326 1.094 20 0 BDADHO [NH3+][C@H]1CCCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550969 972723055 /nfs/dbraw/zinc/72/30/55/972723055.db2.gz ZNIUGIKXECLFAR-QNWHQSFQSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550969 972723065 /nfs/dbraw/zinc/72/30/65/972723065.db2.gz ZNIUGIKXECLFAR-QNWHQSFQSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@H]1CCC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550969 972723073 /nfs/dbraw/zinc/72/30/73/972723073.db2.gz ZNIUGIKXECLFAR-QNWHQSFQSA-N 1 3 236.359 1.557 20 0 BDADHO CCSC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566593 972808375 /nfs/dbraw/zinc/80/83/75/972808375.db2.gz SJYUVNPUYPTJTD-MXWKQRLJSA-N 1 3 216.394 1.797 20 0 BDADHO CCSC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566593 972808379 /nfs/dbraw/zinc/80/83/79/972808379.db2.gz SJYUVNPUYPTJTD-MXWKQRLJSA-N 1 3 216.394 1.797 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246769989 973088134 /nfs/dbraw/zinc/08/81/34/973088134.db2.gz MCQSAYOBCKQKOL-CSYMLDBXSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246769989 973088142 /nfs/dbraw/zinc/08/81/42/973088142.db2.gz MCQSAYOBCKQKOL-CSYMLDBXSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@]3(CCO3)C2)CC[NH2+]1 ZINC001246828668 973117491 /nfs/dbraw/zinc/11/74/91/973117491.db2.gz FMZWIVPRJVBWCH-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO CN1CC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224704451 973870662 /nfs/dbraw/zinc/87/06/62/973870662.db2.gz YXEVTHAJHSAGNP-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224704451 973870665 /nfs/dbraw/zinc/87/06/65/973870665.db2.gz YXEVTHAJHSAGNP-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO CCCN(C)CC(=O)NCC[NH2+]CC=C(C)C ZINC001148643377 973874072 /nfs/dbraw/zinc/87/40/72/973874072.db2.gz XPYMBBKTGXQMJF-UHFFFAOYSA-N 1 3 241.379 1.000 20 0 BDADHO NCc1cccc(NC[C@H]2CCCC[NH2+]2)n1 ZINC001171335685 973878487 /nfs/dbraw/zinc/87/84/87/973878487.db2.gz QTTJZMOMDOWZJM-LLVKDONJSA-N 1 3 220.320 1.094 20 0 BDADHO C[NH+]1C(C)(C)CC(NCC2(O)CC2)CC1(C)C ZINC001171614504 974115398 /nfs/dbraw/zinc/11/53/98/974115398.db2.gz ZKMSGPJIFYOFCN-UHFFFAOYSA-N 1 3 240.391 1.752 20 0 BDADHO CN1C(C)(C)CC([NH2+]CC2(O)CC2)CC1(C)C ZINC001171614504 974115407 /nfs/dbraw/zinc/11/54/07/974115407.db2.gz ZKMSGPJIFYOFCN-UHFFFAOYSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2N)CN1Cc1ccccc1 ZINC001171732025 974142512 /nfs/dbraw/zinc/14/25/12/974142512.db2.gz GJOLVGBEXUVFTN-NMFUWQPSSA-N 1 3 245.370 1.339 20 0 BDADHO C[C@@H]1C[C@@H](NOCC[NH3+])CN1Cc1ccccc1 ZINC001171726601 974143457 /nfs/dbraw/zinc/14/34/57/974143457.db2.gz YOELVLBONYBIDD-TZMCWYRMSA-N 1 3 249.358 1.129 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)C1 ZINC001206156406 974340027 /nfs/dbraw/zinc/34/00/27/974340027.db2.gz QOJBXOQDGKMBQV-AVGNSLFASA-N 1 3 243.370 1.089 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CC[C@H](N)[C@@H](F)CC2)C1 ZINC001206156406 974340033 /nfs/dbraw/zinc/34/00/33/974340033.db2.gz QOJBXOQDGKMBQV-AVGNSLFASA-N 1 3 243.370 1.089 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)COC1)C2 ZINC001172105124 974364768 /nfs/dbraw/zinc/36/47/68/974364768.db2.gz HBAHHNASOQUUKX-ZSBIGDGJSA-N 1 3 242.338 1.330 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1cnoc1)C2 ZINC001172112554 974371205 /nfs/dbraw/zinc/37/12/05/974371205.db2.gz XNYHFUGWZSOLTE-ZSOGYDGISA-N 1 3 249.358 1.822 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1cnoc1)C2 ZINC001172112554 974371212 /nfs/dbraw/zinc/37/12/12/974371212.db2.gz XNYHFUGWZSOLTE-ZSOGYDGISA-N 1 3 249.358 1.822 20 0 BDADHO C[C@@H]1COCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121032 974389439 /nfs/dbraw/zinc/38/94/39/974389439.db2.gz ODSDQOGAHLNEAA-MQYQWHSLSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]1COCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121032 974389444 /nfs/dbraw/zinc/38/94/44/974389444.db2.gz ODSDQOGAHLNEAA-MQYQWHSLSA-N 1 3 238.375 1.722 20 0 BDADHO C[NH2+][C@@H](C)CCNC1Cc2ccccc2C1 ZINC001331419305 974713923 /nfs/dbraw/zinc/71/39/23/974713923.db2.gz PWUGTINKQOINPR-NSHDSACASA-N 1 3 218.344 1.741 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001172614890 974887231 /nfs/dbraw/zinc/88/72/31/974887231.db2.gz ZMWHDIGSBUNAKU-WISYIIOYSA-N 1 3 240.347 1.188 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC(N)C2)CC1 ZINC001172778095 974940347 /nfs/dbraw/zinc/94/03/47/974940347.db2.gz STWWPJPVHXQLQY-ZYGVAYEYSA-N 1 3 240.347 1.188 20 0 BDADHO CC[N@@H+]1CC[C@@H](N2CCN3CCCC[C@H]3C2)C1 ZINC001173362429 975337896 /nfs/dbraw/zinc/33/78/96/975337896.db2.gz HBQUPSOPLBNRDG-UONOGXRCSA-N 1 3 237.391 1.251 20 0 BDADHO CC[N@H+]1CC[C@@H](N2CCN3CCCC[C@H]3C2)C1 ZINC001173362429 975337901 /nfs/dbraw/zinc/33/79/01/975337901.db2.gz HBQUPSOPLBNRDG-UONOGXRCSA-N 1 3 237.391 1.251 20 0 BDADHO OCc1cc(Nc2ccc3nccn3c2)cc[nH+]1 ZINC001174277993 976504329 /nfs/dbraw/zinc/50/43/29/976504329.db2.gz GXISNPPZKYDADV-UHFFFAOYSA-N 1 3 240.266 1.965 20 0 BDADHO CSC[C@H](O)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC001335433198 977057385 /nfs/dbraw/zinc/05/73/85/977057385.db2.gz RWNLROOTPBGSLK-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@H](O)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC001335433198 977057392 /nfs/dbraw/zinc/05/73/92/977057392.db2.gz RWNLROOTPBGSLK-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@H](O)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC001335433198 977057399 /nfs/dbraw/zinc/05/73/99/977057399.db2.gz RWNLROOTPBGSLK-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@H](O)C1CC1 ZINC001335930576 977371909 /nfs/dbraw/zinc/37/19/09/977371909.db2.gz VEDGFGRYZUBFKH-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@H](O)C1CC1 ZINC001335930576 977371894 /nfs/dbraw/zinc/37/18/94/977371894.db2.gz VEDGFGRYZUBFKH-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@H](O)C1CC1 ZINC001335930576 977371900 /nfs/dbraw/zinc/37/19/00/977371900.db2.gz VEDGFGRYZUBFKH-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO C[NH+](C)C1CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001232011960 977837927 /nfs/dbraw/zinc/83/79/27/977837927.db2.gz QQUZCSIDWZJMQI-UHFFFAOYSA-N 1 3 230.315 1.309 20 0 BDADHO CCCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975677 978266499 /nfs/dbraw/zinc/26/64/99/978266499.db2.gz SSIRFDGTPMCTLM-UHFFFAOYSA-N 1 3 243.395 1.223 20 0 BDADHO c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC001337655039 978441996 /nfs/dbraw/zinc/44/19/96/978441996.db2.gz NQZHJQXJDSUTHA-ZDUSSCGKSA-N 1 3 217.316 1.756 20 0 BDADHO c1cc(N2CCC[N@H+]3CCC[C@H]3C2)ccn1 ZINC001337655039 978441999 /nfs/dbraw/zinc/44/19/99/978441999.db2.gz NQZHJQXJDSUTHA-ZDUSSCGKSA-N 1 3 217.316 1.756 20 0 BDADHO CC(C)N1CC[C@H]2[C@@H]1CC[N@@H+]2CCn1ccnc1 ZINC001277798979 978665184 /nfs/dbraw/zinc/66/51/84/978665184.db2.gz HOTPBHSNZPSREF-KBPBESRZSA-N 1 3 248.374 1.440 20 0 BDADHO CC(C)N1CC[C@H]2[C@@H]1CC[N@H+]2CCn1ccnc1 ZINC001277798979 978665187 /nfs/dbraw/zinc/66/51/87/978665187.db2.gz HOTPBHSNZPSREF-KBPBESRZSA-N 1 3 248.374 1.440 20 0 BDADHO OCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994267 978946499 /nfs/dbraw/zinc/94/64/99/978946499.db2.gz RGDVBSOQXGOYMA-ZDUSSCGKSA-N 1 3 226.364 1.225 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCCN(C3CC3)C2)C1 ZINC001277921915 978974808 /nfs/dbraw/zinc/97/48/08/978974808.db2.gz HSWYHXIWWUEMQY-ZDUSSCGKSA-N 1 3 208.349 1.957 20 0 BDADHO C[N@H+]1CCC[C@]2(CCCN(C3CC3)C2)C1 ZINC001277921915 978974810 /nfs/dbraw/zinc/97/48/10/978974810.db2.gz HSWYHXIWWUEMQY-ZDUSSCGKSA-N 1 3 208.349 1.957 20 0 BDADHO CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001277930222 979001872 /nfs/dbraw/zinc/00/18/72/979001872.db2.gz YFCPGYQZCRXJNT-VXGBXAGGSA-N 1 3 243.395 1.029 20 0 BDADHO CN(CCC[NH3+])C(=O)[C@@H](N)C1CCCCCC1 ZINC001340621991 979047151 /nfs/dbraw/zinc/04/71/51/979047151.db2.gz MYBGGFUZPHYJIL-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO c1ccc([C@H]2CN(C[C@@H]3CC[NH2+]C3)CCN2)cc1 ZINC001235859833 979171678 /nfs/dbraw/zinc/17/16/78/979171678.db2.gz PNVGMRFWUQIVOO-UKRRQHHQSA-N 1 3 245.370 1.242 20 0 BDADHO [NH3+][C@@]12CC[C@@H]1CN(CC1Cc3ccccc3C1)C2 ZINC001235976997 979237940 /nfs/dbraw/zinc/23/79/40/979237940.db2.gz DTBYRWSXZQNMCH-HZPDHXFCSA-N 1 3 242.366 1.825 20 0 BDADHO N[C@@]12CC[C@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977278 979242071 /nfs/dbraw/zinc/24/20/71/979242071.db2.gz FZRVTKFCGOSMNG-UONOGXRCSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@@]12CC[C@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977278 979242083 /nfs/dbraw/zinc/24/20/83/979242083.db2.gz FZRVTKFCGOSMNG-UONOGXRCSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981939 979256854 /nfs/dbraw/zinc/25/68/54/979256854.db2.gz YTHXTMGTBJRFLD-JQWIXIFHSA-N 1 3 222.357 1.714 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981939 979256858 /nfs/dbraw/zinc/25/68/58/979256858.db2.gz YTHXTMGTBJRFLD-JQWIXIFHSA-N 1 3 222.357 1.714 20 0 BDADHO N[C@@]12CC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981802 979257626 /nfs/dbraw/zinc/25/76/26/979257626.db2.gz XJHYLVLBRUBAEH-UONOGXRCSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@@]12CC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981802 979257634 /nfs/dbraw/zinc/25/76/34/979257634.db2.gz XJHYLVLBRUBAEH-UONOGXRCSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981800 979261292 /nfs/dbraw/zinc/26/12/92/979261292.db2.gz XJHYLVLBRUBAEH-KGLIPLIRSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981800 979261305 /nfs/dbraw/zinc/26/13/05/979261305.db2.gz XJHYLVLBRUBAEH-KGLIPLIRSA-N 1 3 231.343 1.437 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459089 979414150 /nfs/dbraw/zinc/41/41/50/979414150.db2.gz WPEXPODZOZEVJK-FIQHERPVSA-N 1 3 241.379 1.007 20 0 BDADHO C[N@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@@H]1N ZINC001236216900 979451842 /nfs/dbraw/zinc/45/18/42/979451842.db2.gz MBURJDBZIBZRHD-KBPBESRZSA-N 1 3 233.359 1.971 20 0 BDADHO C[N@@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@@H]1N ZINC001236216900 979451850 /nfs/dbraw/zinc/45/18/50/979451850.db2.gz MBURJDBZIBZRHD-KBPBESRZSA-N 1 3 233.359 1.971 20 0 BDADHO [NH3+]C[C@H]1CCCN1CC1CCSCC1 ZINC001236245800 979465926 /nfs/dbraw/zinc/46/59/26/979465926.db2.gz VLWZBCYTGFGLPQ-LLVKDONJSA-N 1 3 214.378 1.553 20 0 BDADHO [NH3+]CCCCCC(=O)Nc1cccc2c1CNC2 ZINC001341624825 979496750 /nfs/dbraw/zinc/49/67/50/979496750.db2.gz XRIDXYCEDINNDH-UHFFFAOYSA-N 1 3 247.342 1.747 20 0 BDADHO Cc1nc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236314367 979525141 /nfs/dbraw/zinc/52/51/41/979525141.db2.gz CHOXDAWZUPCIBE-TXEJJXNPSA-N 1 3 235.331 1.414 20 0 BDADHO c1csc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236316473 979529751 /nfs/dbraw/zinc/52/97/51/979529751.db2.gz SURNMFZLEKBVII-PHIMTYICSA-N 1 3 237.372 1.575 20 0 BDADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc[nH]c2=O)C1 ZINC001206549654 979702514 /nfs/dbraw/zinc/70/25/14/979702514.db2.gz POFZAENXFPLJFV-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000722684740 980880269 /nfs/dbraw/zinc/88/02/69/980880269.db2.gz WRYUSFHRCAEFFE-OPRDCNLKSA-N 1 3 218.291 1.558 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2c[nH]cn2)CC1 ZINC001205545663 980947199 /nfs/dbraw/zinc/94/71/99/980947199.db2.gz LJYUGRUFHMJISR-LLVKDONJSA-N 1 3 226.299 1.063 20 0 BDADHO c1cc(C2=CCC[NH2+]C2)nc2c1CCNC2 ZINC001240653001 981564931 /nfs/dbraw/zinc/56/49/31/981564931.db2.gz MSWKSSYHFNCGKV-UHFFFAOYSA-N 1 3 215.300 1.104 20 0 BDADHO c1cnc(CNC2CC3(C2)CC[NH2+]CC3)cn1 ZINC001580896444 981723808 /nfs/dbraw/zinc/72/38/08/981723808.db2.gz BTANGBTYMVQLJE-UHFFFAOYSA-N 1 3 232.331 1.098 20 0 BDADHO CCN(C)[C@H]1CC[N@H+](CCn2ccnc2C)C1 ZINC001198880778 982873866 /nfs/dbraw/zinc/87/38/66/982873866.db2.gz AWNWLERPAGUIJF-ZDUSSCGKSA-N 1 3 236.363 1.218 20 0 BDADHO CCN(C)[C@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC001198880778 982873867 /nfs/dbraw/zinc/87/38/67/982873867.db2.gz AWNWLERPAGUIJF-ZDUSSCGKSA-N 1 3 236.363 1.218 20 0 BDADHO C[NH+](C)CCN1CCN(CC(C)(C)C)CC1 ZINC001201426763 983225879 /nfs/dbraw/zinc/22/58/79/983225879.db2.gz QHXOGBIVCGOUHG-UHFFFAOYSA-N 1 3 227.396 1.212 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457357 983720229 /nfs/dbraw/zinc/72/02/29/983720229.db2.gz IBBOCEZJWVVHBS-QWRGUYRKSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@]1(CN[C@]23C[C@H]2COC32CCC2)CC[NH2+]C1 ZINC001576525223 984174007 /nfs/dbraw/zinc/17/40/07/984174007.db2.gz CIGDMINDLUQXEE-SGMGOOAPSA-N 1 3 236.359 1.287 20 0 BDADHO C[C@]1(CN[C@@H]2C[C@@H]3CC[C@H]2O3)CCC[NH2+]C1 ZINC001576526102 984174704 /nfs/dbraw/zinc/17/47/04/984174704.db2.gz NIHCOBIVIHUMCL-LOWDOPEQSA-N 1 3 224.348 1.286 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC001578160937 984207246 /nfs/dbraw/zinc/20/72/46/984207246.db2.gz FNANBYCACSMNCR-VLEAKVRGSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@@H](CC[NH2+]CC1(CN)CC1)C(F)(F)F ZINC001578901280 984231335 /nfs/dbraw/zinc/23/13/35/984231335.db2.gz RNWJMTGIZIBFNQ-QMMMGPOBSA-N 1 3 240.269 1.282 20 0 BDADHO Cc1cc(C[NH2+]CC2(N)CC2)cc(C)n1 ZINC001579601737 984297948 /nfs/dbraw/zinc/29/79/48/984297948.db2.gz YOZSBFHBWJSIHP-UHFFFAOYSA-N 1 3 205.305 1.279 20 0 BDADHO [NH3+][C@@H]1CC12CC(N[C@@H](CCO)c1ccco1)C2 ZINC001580163848 984407403 /nfs/dbraw/zinc/40/74/03/984407403.db2.gz DXRPZUHLVNTWJZ-CXFXUWLJSA-N 1 3 236.315 1.173 20 0 BDADHO CCOC(=O)[C@H](C)[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001577908373 984818145 /nfs/dbraw/zinc/81/81/45/984818145.db2.gz HIROBLYPYLJCFO-KKOKHZNYSA-N 1 3 242.363 1.019 20 0 BDADHO C[N@@H+]1CCC2(C1)CCN(Cc1cnc[nH]1)CC2 ZINC001276203134 984826705 /nfs/dbraw/zinc/82/67/05/984826705.db2.gz LOOQQQQIPPDDPE-UHFFFAOYSA-N 1 3 234.347 1.327 20 0 BDADHO C[N@H+]1CCC2(C1)CCN(Cc1cnc[nH]1)CC2 ZINC001276203134 984826706 /nfs/dbraw/zinc/82/67/06/984826706.db2.gz LOOQQQQIPPDDPE-UHFFFAOYSA-N 1 3 234.347 1.327 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](N)CC)[C@]12CCCO2 ZINC001578148871 984856351 /nfs/dbraw/zinc/85/63/51/984856351.db2.gz MJPZOSONYWKOMF-UMSGYPCISA-N 1 3 242.363 1.040 20 0 BDADHO CC[C@@H](O)CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001578226180 984877195 /nfs/dbraw/zinc/87/71/95/984877195.db2.gz WFIIEEJOEHFGLW-NOOOWODRSA-N 1 3 214.353 1.205 20 0 BDADHO C[NH2+]CCCN(C)CCCC(=O)NCC(C)C ZINC001578687222 985298728 /nfs/dbraw/zinc/29/87/28/985298728.db2.gz BWRYWMUYTQFPMQ-UHFFFAOYSA-N 1 3 243.395 1.080 20 0 BDADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC001578787971 985356499 /nfs/dbraw/zinc/35/64/99/985356499.db2.gz GQMQFNNAHBMESS-NNYUYHANSA-N 1 3 242.363 1.147 20 0 BDADHO COC(=O)CC1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC001578803741 985376972 /nfs/dbraw/zinc/37/69/72/985376972.db2.gz YIEGWPSJVJUDEH-ANRVXECHSA-N 1 3 240.347 1.188 20 0 BDADHO C[C@H](C[NH2+][C@@H]1COC[C@H]1C)CN1CCCCC1 ZINC000688025468 985502457 /nfs/dbraw/zinc/50/24/57/985502457.db2.gz PEXXDAQWIIMOQW-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](CN[C@@H]1COC[C@H]1C)C[NH+]1CCCCC1 ZINC000688025468 985502478 /nfs/dbraw/zinc/50/24/78/985502478.db2.gz PEXXDAQWIIMOQW-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CN[C@@H](C[NH3+])C1CC1)CC(C)C ZINC001578913078 985512473 /nfs/dbraw/zinc/51/24/73/985512473.db2.gz RAOKRSLZZGLNER-RYUDHWBXSA-N 1 3 214.353 1.374 20 0 BDADHO COC1(CCN2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC001578927368 985537737 /nfs/dbraw/zinc/53/77/37/985537737.db2.gz WLGKMBLFPBHXOW-OCCSQVGLSA-N 1 3 238.375 1.759 20 0 BDADHO CO[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935840 985546072 /nfs/dbraw/zinc/54/60/72/985546072.db2.gz LHACVNJMVCAWTD-VLEAKVRGSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@@H+]1C ZINC001459617347 985556422 /nfs/dbraw/zinc/55/64/22/985556422.db2.gz XBNNZRHVKKYSLG-AAEUAGOBSA-N 1 3 236.363 1.367 20 0 BDADHO C[C@H]1C[C@@H](N(C)CCc2cn[nH]c2)CC[N@H+]1C ZINC001459617347 985556447 /nfs/dbraw/zinc/55/64/47/985556447.db2.gz XBNNZRHVKKYSLG-AAEUAGOBSA-N 1 3 236.363 1.367 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cn(C2CC2)cn1 ZINC001579454455 985942922 /nfs/dbraw/zinc/94/29/22/985942922.db2.gz DFFKRJAXIZUEEG-VXGBXAGGSA-N 1 3 248.374 1.553 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(CC[C@H]1CCCO1)C2 ZINC001579473823 985982061 /nfs/dbraw/zinc/98/20/61/985982061.db2.gz ONVNHZIVFDLGBX-UPJWGTAASA-N 1 3 224.348 1.097 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(C[C@@]2(C)CCCCO2)C1 ZINC001462084309 986280455 /nfs/dbraw/zinc/28/04/55/986280455.db2.gz ZYIIXTPUGCUMDK-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1nccnc1[C@H](C)NC1CC2(C[C@H]2[NH3+])C1 ZINC001579882584 986299704 /nfs/dbraw/zinc/29/97/04/986299704.db2.gz AQDZXCMIKXKIKS-MSLYCWSTSA-N 1 3 232.331 1.315 20 0 BDADHO Cn1cnnc1[C@H]1CCCN1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001579986147 986389906 /nfs/dbraw/zinc/38/99/06/986389906.db2.gz SWSUMXJTEWNXOV-QJPTWQEYSA-N 1 3 249.362 1.079 20 0 BDADHO Cn1nccc1C[C@@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC001580013057 986411522 /nfs/dbraw/zinc/41/15/22/986411522.db2.gz KLNPSUCCXZFVCZ-JSGCOSHPSA-N 1 3 248.374 1.037 20 0 BDADHO NCC1(C[NH2+]C[C@@H](CO)CC2CC2)CCC1 ZINC001580244443 986693509 /nfs/dbraw/zinc/69/35/09/986693509.db2.gz XCLCOUXADBGTDL-LBPRGKRZSA-N 1 3 226.364 1.114 20 0 BDADHO [NH3+]Cc1cccc(CN[C@]23C[C@H]2COC3)c1 ZINC001580342878 986783094 /nfs/dbraw/zinc/78/30/94/986783094.db2.gz MINHIILZKGLLQK-STQMWFEESA-N 1 3 218.300 1.024 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC001580372005 986800530 /nfs/dbraw/zinc/80/05/30/986800530.db2.gz KYSZBESWSZZMBX-CHWSQXEVSA-N 1 3 225.380 1.332 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC001580430793 986847746 /nfs/dbraw/zinc/84/77/46/986847746.db2.gz ZVBSIZKSABESJT-OPRDCNLKSA-N 1 3 200.351 1.351 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]CC2CCSCC2)C1 ZINC001580422652 986838957 /nfs/dbraw/zinc/83/89/57/986838957.db2.gz BMIZPFUXOSGWLO-AOOOYVTPSA-N 1 3 200.351 1.209 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC001580423462 986841988 /nfs/dbraw/zinc/84/19/88/986841988.db2.gz ZVBSIZKSABESJT-LPEHRKFASA-N 1 3 200.351 1.351 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC001580430453 986848663 /nfs/dbraw/zinc/84/86/63/986848663.db2.gz MOKDWOPEJYVHBV-OFTGVCEQSA-N 1 3 224.348 1.271 20 0 BDADHO CC(C)(C)[C@H](O)CN1CCC([NH+]2CCC2)CC1 ZINC000700378519 986857032 /nfs/dbraw/zinc/85/70/32/986857032.db2.gz QJTBFQVFLMHEKG-CYBMUJFWSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H](N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001255490818 986986687 /nfs/dbraw/zinc/98/66/87/986986687.db2.gz YIGHTGYVKSIBKE-MELADBBJSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CCC[C@H](N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC001255490818 986986702 /nfs/dbraw/zinc/98/67/02/986986702.db2.gz YIGHTGYVKSIBKE-MELADBBJSA-N 1 3 237.391 1.107 20 0 BDADHO CCCC[C@H](O)CNC[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245971377 987244498 /nfs/dbraw/zinc/24/44/98/987244498.db2.gz GBVMNNLEIYINPA-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@](O)(C[NH2+]CC1(N)CCCC1)c1ccccc1 ZINC001245973764 987250828 /nfs/dbraw/zinc/25/08/28/987250828.db2.gz IASJCOAGGCHCEE-CQSZACIVSA-N 1 3 248.370 1.755 20 0 BDADHO CCCCC[C@@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245982546 987257519 /nfs/dbraw/zinc/25/75/19/987257519.db2.gz FWNXGWOTIPVJIZ-QWHCGFSZSA-N 1 3 228.380 1.517 20 0 BDADHO CCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@@H]1C ZINC001245981550 987259119 /nfs/dbraw/zinc/25/91/19/987259119.db2.gz HZPXYOZOVRYYHB-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]([NH3+])CCNC[C@@](C)(O)c1ccccc1 ZINC001245999818 987285517 /nfs/dbraw/zinc/28/55/17/987285517.db2.gz KEWUSSUSIRQJTD-WCQYABFASA-N 1 3 222.332 1.221 20 0 BDADHO CCCC[C@@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246016089 987296694 /nfs/dbraw/zinc/29/66/94/987296694.db2.gz FNQKPBRFVCZSKD-UTUOFQBUSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH3+])N(C[C@H](O)C(C)(C)C)C1 ZINC001246023361 987312665 /nfs/dbraw/zinc/31/26/65/987312665.db2.gz POFYMBKXUNEIED-WOPDTQHZSA-N 1 3 228.380 1.453 20 0 BDADHO C[C@H]1COCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000697034792 987346170 /nfs/dbraw/zinc/34/61/70/987346170.db2.gz AHVASPRGOGAOJX-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2)CN1 ZINC001246073352 987358839 /nfs/dbraw/zinc/35/88/39/987358839.db2.gz SCLYKGUDOOWSPZ-VHDGCEQUSA-N 1 3 248.370 1.624 20 0 BDADHO COC(=O)CCCC[C@H](C)[NH2+]C1CCNCC1 ZINC001246073154 987361192 /nfs/dbraw/zinc/36/11/92/987361192.db2.gz PNTWNSPAOWRUHU-NSHDSACASA-N 1 3 242.363 1.450 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000400770759 987368636 /nfs/dbraw/zinc/36/86/36/987368636.db2.gz CJSJUUCPSLOFAZ-VXGBXAGGSA-N 1 3 243.395 1.208 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC001246081840 987375063 /nfs/dbraw/zinc/37/50/63/987375063.db2.gz UHGRROWWAMAVNE-CMPLNLGQSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H](NC2CC[NH2+]CC2)C1 ZINC001246081840 987375069 /nfs/dbraw/zinc/37/50/69/987375069.db2.gz UHGRROWWAMAVNE-CMPLNLGQSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H]1CC[C@H](N[C@@H]2CCCOCC2)C[NH2+]1 ZINC001246083794 987381776 /nfs/dbraw/zinc/38/17/76/987381776.db2.gz JZQWGZSWKVCCEK-TUAOUCFPSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CCN1 ZINC001246090439 987392406 /nfs/dbraw/zinc/39/24/06/987392406.db2.gz XPKSUJGPKJSMNU-FDYHWXHSSA-N 1 3 226.364 1.410 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098138 987412845 /nfs/dbraw/zinc/41/28/45/987412845.db2.gz JGEBHXFABRMSLA-SRVKXCTJSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H]1C ZINC001246132023 987481233 /nfs/dbraw/zinc/48/12/33/987481233.db2.gz CGOPSMMAUQDLIE-GSZZWUTPSA-N 1 3 238.375 1.388 20 0 BDADHO C[C@@H]1CC(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H](C)C1 ZINC001246132450 987483998 /nfs/dbraw/zinc/48/39/98/987483998.db2.gz CXTLJQLLVBSWMO-SAUGFPQOSA-N 1 3 238.375 1.388 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246151195 987511714 /nfs/dbraw/zinc/51/17/14/987511714.db2.gz ZFZFCYXPTUHIIO-UCKQBZRPSA-N 1 3 238.375 1.388 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CCN(C)c2ccccc2)CN1 ZINC001246177085 987548389 /nfs/dbraw/zinc/54/83/89/987548389.db2.gz SPDVXLYQZZFCET-UONOGXRCSA-N 1 3 247.386 1.853 20 0 BDADHO CCC[C@@H](O)CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473842437 987578423 /nfs/dbraw/zinc/57/84/23/987578423.db2.gz PYASNVDQBLEHQU-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO CCC[C@@H](O)CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473842437 987578428 /nfs/dbraw/zinc/57/84/28/987578428.db2.gz PYASNVDQBLEHQU-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO CCOC(=O)CC[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC001246196983 987592760 /nfs/dbraw/zinc/59/27/60/987592760.db2.gz JDZUWFKZWZTOLT-RYUDHWBXSA-N 1 3 242.363 1.307 20 0 BDADHO O=C1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCCNC3)C[C@H]2C1 ZINC001246199690 987593792 /nfs/dbraw/zinc/59/37/92/987593792.db2.gz NCNNBMCEFZVGBI-NDBYEHHHSA-N 1 3 236.359 1.333 20 0 BDADHO C[C@@H]1CC[C@@H](n2nc(CN)c3ccccc32)C[NH2+]1 ZINC001246199436 987594695 /nfs/dbraw/zinc/59/46/95/987594695.db2.gz JXCLXNMOTSURJA-GHMZBOCLSA-N 1 3 244.342 1.808 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)CCN1 ZINC001246218100 987617533 /nfs/dbraw/zinc/61/75/33/987617533.db2.gz LHVKJBGWSDHBDT-CYDGBPFRSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246250992 987648119 /nfs/dbraw/zinc/64/81/19/987648119.db2.gz YGWAHSNBBZUHMA-BBBLOLIVSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C23CCC(O)(CC2)CC3)CCN1 ZINC001246262173 987656248 /nfs/dbraw/zinc/65/62/48/987656248.db2.gz APUMJRQIOARDFQ-FEPKRQSRSA-N 1 3 238.375 1.554 20 0 BDADHO Cc1cc(CNC[C@H]2CCC[N@H+]2C)cc(C)n1 ZINC001474213692 987662851 /nfs/dbraw/zinc/66/28/51/987662851.db2.gz ZBMCBQAZMUZUDP-CQSZACIVSA-N 1 3 233.359 1.882 20 0 BDADHO Cc1cc(CNC[C@H]2CCC[N@@H+]2C)cc(C)n1 ZINC001474213692 987662857 /nfs/dbraw/zinc/66/28/57/987662857.db2.gz ZBMCBQAZMUZUDP-CQSZACIVSA-N 1 3 233.359 1.882 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283009 987678942 /nfs/dbraw/zinc/67/89/42/987678942.db2.gz YDLHFUPTYDIEFY-DDHJBXDOSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC001246283009 987678944 /nfs/dbraw/zinc/67/89/44/987678944.db2.gz YDLHFUPTYDIEFY-DDHJBXDOSA-N 1 3 240.347 1.058 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303315 987684229 /nfs/dbraw/zinc/68/42/29/987684229.db2.gz XGCRAMOHIMRFSL-AVGNSLFASA-N 1 3 247.342 1.217 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@H](NCc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303315 987684233 /nfs/dbraw/zinc/68/42/33/987684233.db2.gz XGCRAMOHIMRFSL-AVGNSLFASA-N 1 3 247.342 1.217 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@H]2C1 ZINC001474303315 987684236 /nfs/dbraw/zinc/68/42/36/987684236.db2.gz XGCRAMOHIMRFSL-AVGNSLFASA-N 1 3 247.342 1.217 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(=O)C2)CCN1 ZINC001246308352 987708239 /nfs/dbraw/zinc/70/82/39/987708239.db2.gz PYWYGCUXPFRMAO-MXWKQRLJSA-N 1 3 210.321 1.228 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308352 987708242 /nfs/dbraw/zinc/70/82/42/987708242.db2.gz PYWYGCUXPFRMAO-MXWKQRLJSA-N 1 3 210.321 1.228 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCC2CCC(O)CC2)CCN1 ZINC001246336603 987746804 /nfs/dbraw/zinc/74/68/04/987746804.db2.gz PRQUSJAVRUQCHJ-NELGMTEASA-N 1 3 240.391 1.658 20 0 BDADHO OCCCCCCCC[NH2+]C1CCNCC1 ZINC001246340293 987749303 /nfs/dbraw/zinc/74/93/03/987749303.db2.gz HHGPZYBYVHVXNE-UHFFFAOYSA-N 1 3 228.380 1.661 20 0 BDADHO C[C@H]1C[C@H](NCCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338678 987750044 /nfs/dbraw/zinc/75/00/44/987750044.db2.gz ADKBBGGCLPABHL-WCQYABFASA-N 1 3 243.370 1.150 20 0 BDADHO Nc1cccc(CCC[NH2+]C2CCNCC2)c1 ZINC001246350025 987758900 /nfs/dbraw/zinc/75/89/00/987758900.db2.gz LALOFMRKRKCCDP-UHFFFAOYSA-N 1 3 233.359 1.543 20 0 BDADHO CCOC(=O)[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246357075 987763806 /nfs/dbraw/zinc/76/38/06/987763806.db2.gz VOFZNYSADJTJOJ-WSMDXJOWSA-N 1 3 240.347 1.058 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N[C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246361261 987767721 /nfs/dbraw/zinc/76/77/21/987767721.db2.gz ZCXFLSMYKWROBM-KKOKHZNYSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)CC1([NH2+]C2CCNCC2)CCOCC1 ZINC001246401658 987783185 /nfs/dbraw/zinc/78/31/85/987783185.db2.gz IJYNNGAFYDKIFY-UHFFFAOYSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246412372 987790684 /nfs/dbraw/zinc/79/06/84/987790684.db2.gz CCLYATWGFWPCKV-WOPDTQHZSA-N 1 3 241.379 1.138 20 0 BDADHO FC1(F)CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246444680 987791672 /nfs/dbraw/zinc/79/16/72/987791672.db2.gz KOYYXXZQFAGDRF-VIFPVBQESA-N 1 3 216.275 1.516 20 0 BDADHO FC1(F)CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246444680 987791675 /nfs/dbraw/zinc/79/16/75/987791675.db2.gz KOYYXXZQFAGDRF-VIFPVBQESA-N 1 3 216.275 1.516 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246442125 987798084 /nfs/dbraw/zinc/79/80/84/987798084.db2.gz BZNMBOOWERXKTE-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)CCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246442125 987798091 /nfs/dbraw/zinc/79/80/91/987798091.db2.gz BZNMBOOWERXKTE-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO C(N[C@@H]1CCC[NH2+]C1)C1(CC2CC2)CC1 ZINC001246433207 987798128 /nfs/dbraw/zinc/79/81/28/987798128.db2.gz QVIPPTUCEPLYKH-GFCCVEGCSA-N 1 3 208.349 1.908 20 0 BDADHO CC1(C)[C@@H]2C[C@H]([NH2+][C@@H]3CC34CNC4)C[C@@H]21 ZINC001246445507 987803185 /nfs/dbraw/zinc/80/31/85/987803185.db2.gz OTJHOJDTJHGIGB-LMLFDSFASA-N 1 3 206.333 1.373 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N[C@@H]3CC34C[NH2+]C4)C[C@@H]21 ZINC001246445507 987803189 /nfs/dbraw/zinc/80/31/89/987803189.db2.gz OTJHOJDTJHGIGB-LMLFDSFASA-N 1 3 206.333 1.373 20 0 BDADHO C[C@@H]1C[C@H](NC2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447727 987806975 /nfs/dbraw/zinc/80/69/75/987806975.db2.gz QVBFWWDGNCLBRL-TZMCWYRMSA-N 1 3 245.370 1.887 20 0 BDADHO C1=CO[C@@H](C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001474735463 987812947 /nfs/dbraw/zinc/81/29/47/987812947.db2.gz PMKXLMDTNRQCTH-ZIAGYGMSSA-N 1 3 236.359 1.611 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCc2cccc(N)c2)CCN1 ZINC001246465793 987826166 /nfs/dbraw/zinc/82/61/66/987826166.db2.gz LWKRNMVQCRFXIS-SMDDNHRTSA-N 1 3 233.359 1.541 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473961 987830945 /nfs/dbraw/zinc/83/09/45/987830945.db2.gz LVNSLLKIEGINQL-AGIUHOORSA-N 1 3 245.370 1.926 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNc3ccccc32)CCN1 ZINC001246473961 987830949 /nfs/dbraw/zinc/83/09/49/987830949.db2.gz LVNSLLKIEGINQL-AGIUHOORSA-N 1 3 245.370 1.926 20 0 BDADHO C[C@@H](Cc1ccccn1)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246479391 987837486 /nfs/dbraw/zinc/83/74/86/987837486.db2.gz UWVZHAYJLZKZMG-YUTCNCBUSA-N 1 3 233.359 1.872 20 0 BDADHO CCN1CC[C@@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507304 987862109 /nfs/dbraw/zinc/86/21/09/987862109.db2.gz NASGJZNNVDGDGF-ZIAGYGMSSA-N 1 3 233.359 1.370 20 0 BDADHO CCN1CC[C@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507302 987863426 /nfs/dbraw/zinc/86/34/26/987863426.db2.gz NASGJZNNVDGDGF-UONOGXRCSA-N 1 3 233.359 1.370 20 0 BDADHO CC[C@@H](C)OCC[C@H](C)[N@@H+]1CCCNCC1 ZINC001246524365 987876307 /nfs/dbraw/zinc/87/63/07/987876307.db2.gz ITDBGDFKXKRRJR-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@@H](C)OCC[C@H](C)[N@H+]1CCCNCC1 ZINC001246524365 987876308 /nfs/dbraw/zinc/87/63/08/987876308.db2.gz ITDBGDFKXKRRJR-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCC[N@H+](CCOC)[C@@H]1CCN[C@@H](C)C1 ZINC001246530925 987885288 /nfs/dbraw/zinc/88/52/88/987885288.db2.gz QKQLHFKBUFGZPQ-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO CCC[N@@H+](CCOC)[C@@H]1CCN[C@@H](C)C1 ZINC001246530925 987885293 /nfs/dbraw/zinc/88/52/93/987885293.db2.gz QKQLHFKBUFGZPQ-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO CCCN(CCOC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246530925 987885297 /nfs/dbraw/zinc/88/52/97/987885297.db2.gz QKQLHFKBUFGZPQ-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N3CC[C@](C)([NH3+])C3)C[C@@H]21 ZINC001246532807 987891055 /nfs/dbraw/zinc/89/10/55/987891055.db2.gz YJBSGXRRLURASC-KQXIARHKSA-N 1 3 208.349 1.844 20 0 BDADHO CC(C)COCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246532582 987891576 /nfs/dbraw/zinc/89/15/76/987891576.db2.gz WXGCMHZESMLCNS-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246532582 987891580 /nfs/dbraw/zinc/89/15/80/987891580.db2.gz WXGCMHZESMLCNS-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560803 987992369 /nfs/dbraw/zinc/99/23/69/987992369.db2.gz TZLWQVWAMNNEHK-XJFOESAGSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560803 987992385 /nfs/dbraw/zinc/99/23/85/987992385.db2.gz TZLWQVWAMNNEHK-XJFOESAGSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@@H](C)C[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560803 987992410 /nfs/dbraw/zinc/99/24/10/987992410.db2.gz TZLWQVWAMNNEHK-XJFOESAGSA-N 1 3 242.407 1.841 20 0 BDADHO CCN(CCCC(=O)OC)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246565263 988012425 /nfs/dbraw/zinc/01/24/25/988012425.db2.gz PIKBHVFPWFXTAO-RYUDHWBXSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@H+](CCCC(=O)OC)[C@H]1CCN[C@@H](C)C1 ZINC001246565263 988012436 /nfs/dbraw/zinc/01/24/36/988012436.db2.gz PIKBHVFPWFXTAO-RYUDHWBXSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@@H+](CCCC(=O)OC)[C@H]1CCN[C@@H](C)C1 ZINC001246565263 988012452 /nfs/dbraw/zinc/01/24/52/988012452.db2.gz PIKBHVFPWFXTAO-RYUDHWBXSA-N 1 3 242.363 1.402 20 0 BDADHO CCN(CCCC(=O)OC)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246565261 988020218 /nfs/dbraw/zinc/02/02/18/988020218.db2.gz PIKBHVFPWFXTAO-NEPJUHHUSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@H+](CCCC(=O)OC)[C@H]1CCN[C@H](C)C1 ZINC001246565261 988020237 /nfs/dbraw/zinc/02/02/37/988020237.db2.gz PIKBHVFPWFXTAO-NEPJUHHUSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@@H+](CCCC(=O)OC)[C@H]1CCN[C@H](C)C1 ZINC001246565261 988020251 /nfs/dbraw/zinc/02/02/51/988020251.db2.gz PIKBHVFPWFXTAO-NEPJUHHUSA-N 1 3 242.363 1.402 20 0 BDADHO CSCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246569271 988034622 /nfs/dbraw/zinc/03/46/22/988034622.db2.gz OREFZCZKUUXOKV-VWYCJHECSA-N 1 3 216.394 1.797 20 0 BDADHO CSCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246569271 988034638 /nfs/dbraw/zinc/03/46/38/988034638.db2.gz OREFZCZKUUXOKV-VWYCJHECSA-N 1 3 216.394 1.797 20 0 BDADHO Cc1ccc(C[C@@H](C)[N@@H+]2C[C@H](O)[C@@H](CN)C2)cc1 ZINC001246579609 988099278 /nfs/dbraw/zinc/09/92/78/988099278.db2.gz KAKONXQDCYMRHB-SNPRPXQTSA-N 1 3 248.370 1.177 20 0 BDADHO Cc1ccc(C[C@@H](C)[N@H+]2C[C@H](O)[C@@H](CN)C2)cc1 ZINC001246579609 988099297 /nfs/dbraw/zinc/09/92/97/988099297.db2.gz KAKONXQDCYMRHB-SNPRPXQTSA-N 1 3 248.370 1.177 20 0 BDADHO NC[C@@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582931 988123323 /nfs/dbraw/zinc/12/33/23/988123323.db2.gz PEWYGZUSMMTXEM-RVMXOQNASA-N 1 3 208.349 1.846 20 0 BDADHO NC[C@@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582931 988123334 /nfs/dbraw/zinc/12/33/34/988123334.db2.gz PEWYGZUSMMTXEM-RVMXOQNASA-N 1 3 208.349 1.846 20 0 BDADHO CCCCC[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246584499 988134893 /nfs/dbraw/zinc/13/48/93/988134893.db2.gz NHCKIKKIRRWEGH-XQQFMLRXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCC[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246584499 988134916 /nfs/dbraw/zinc/13/49/16/988134916.db2.gz NHCKIKKIRRWEGH-XQQFMLRXSA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)CNCc1nc([C@H]2CCC[NH2+]2)no1 ZINC001118237981 988142733 /nfs/dbraw/zinc/14/27/33/988142733.db2.gz SCZMJPMGNRTQPH-SECBINFHSA-N 1 3 224.308 1.240 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC(C)(C)C[C@@]2(C)CO)CCN1 ZINC001246588097 988161100 /nfs/dbraw/zinc/16/11/00/988161100.db2.gz JHEFWSRSBLQCKY-BZPMIXESSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC(C)(C)C[C@@]2(C)CO)CCN1 ZINC001246588097 988161108 /nfs/dbraw/zinc/16/11/08/988161108.db2.gz JHEFWSRSBLQCKY-BZPMIXESSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]C(C)C ZINC001495132991 988217790 /nfs/dbraw/zinc/21/77/90/988217790.db2.gz BRPHDJLHYOLTIE-LBPRGKRZSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609702 988222994 /nfs/dbraw/zinc/22/29/94/988222994.db2.gz MSMAHNJHACJBHL-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609702 988223023 /nfs/dbraw/zinc/22/30/23/988223023.db2.gz MSMAHNJHACJBHL-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609702 988223048 /nfs/dbraw/zinc/22/30/48/988223048.db2.gz MSMAHNJHACJBHL-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609692 988224145 /nfs/dbraw/zinc/22/41/45/988224145.db2.gz MSMAHNJHACJBHL-IHRRRGAJSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCC[C@]23CCCNC3)CCO1 ZINC001246609692 988224168 /nfs/dbraw/zinc/22/41/68/988224168.db2.gz MSMAHNJHACJBHL-IHRRRGAJSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1C[C@@H](N2CCC[C@]23CCC[NH2+]C3)CCO1 ZINC001246609692 988224189 /nfs/dbraw/zinc/22/41/89/988224189.db2.gz MSMAHNJHACJBHL-IHRRRGAJSA-N 1 3 238.375 1.772 20 0 BDADHO CC(C)CC[C@@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642964 988349069 /nfs/dbraw/zinc/34/90/69/988349069.db2.gz NQUBCXVLGLEJDH-KGLIPLIRSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768668 988453530 /nfs/dbraw/zinc/45/35/30/988453530.db2.gz GASNYFMBGSQHJV-HHHUOAJASA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768668 988453540 /nfs/dbraw/zinc/45/35/40/988453540.db2.gz GASNYFMBGSQHJV-HHHUOAJASA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768670 988456503 /nfs/dbraw/zinc/45/65/03/988456503.db2.gz GASNYFMBGSQHJV-WTPMCQDGSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768670 988456507 /nfs/dbraw/zinc/45/65/07/988456507.db2.gz GASNYFMBGSQHJV-WTPMCQDGSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858369 988592764 /nfs/dbraw/zinc/59/27/64/988592764.db2.gz GASNYFMBGSQHJV-SVNGYHJRSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858369 988592776 /nfs/dbraw/zinc/59/27/76/988592776.db2.gz GASNYFMBGSQHJV-SVNGYHJRSA-N 1 3 212.312 1.559 20 0 BDADHO CCCC[C@@H]1C[C@H](N2CC[C@@H]2NC)CC[NH2+]1 ZINC001246901916 988676884 /nfs/dbraw/zinc/67/68/84/988676884.db2.gz FOJLRPSBRZPSQR-JHJVBQTASA-N 1 3 225.380 1.548 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001118932740 988716599 /nfs/dbraw/zinc/71/65/99/988716599.db2.gz CHCKVXWYROSWQG-IVZWLZJFSA-N 1 3 200.351 1.019 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC001118932740 988716586 /nfs/dbraw/zinc/71/65/86/988716586.db2.gz CHCKVXWYROSWQG-IVZWLZJFSA-N 1 3 200.351 1.019 20 0 BDADHO c1ccc(C[C@H]2C[C@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246989737 988821877 /nfs/dbraw/zinc/82/18/77/988821877.db2.gz GXNBFIFRQPCZOY-LSDHHAIUSA-N 1 3 245.370 1.212 20 0 BDADHO CCCC[C@H]1C[C@@H](N2CCNC2)CC[NH2+]1 ZINC001246993519 988825608 /nfs/dbraw/zinc/82/56/08/988825608.db2.gz NVMSQSGGCVTCQM-RYUDHWBXSA-N 1 3 211.353 1.160 20 0 BDADHO CC(C)C[C@@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001122137064 990252327 /nfs/dbraw/zinc/25/23/27/990252327.db2.gz JRGCIQYXLPZCFX-GFCCVEGCSA-N 1 3 247.342 1.602 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N(CC[NH2+]C)C(C)C ZINC001122174269 990277923 /nfs/dbraw/zinc/27/79/23/990277923.db2.gz TZBNKHXTFIGBNF-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001258113461 991023520 /nfs/dbraw/zinc/02/35/20/991023520.db2.gz WCUIQJNZOGPIHO-VXGBXAGGSA-N 1 3 244.379 1.635 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001258113461 991023526 /nfs/dbraw/zinc/02/35/26/991023526.db2.gz WCUIQJNZOGPIHO-VXGBXAGGSA-N 1 3 244.379 1.635 20 0 BDADHO C[C@@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611990 991060161 /nfs/dbraw/zinc/06/01/61/991060161.db2.gz UEOSHFNQVXJUOV-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO CCC1(C[NH+]2CCC(N(C)C)CC2)COC1 ZINC001202913034 991210926 /nfs/dbraw/zinc/21/09/26/991210926.db2.gz YNDGVNXMMJHMHX-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001308984298 991250025 /nfs/dbraw/zinc/25/00/25/991250025.db2.gz MMNFMNHPRAGAFL-NAWOPXAZSA-N 1 3 208.349 1.715 20 0 BDADHO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001308984304 991252951 /nfs/dbraw/zinc/25/29/51/991252951.db2.gz MMNFMNHPRAGAFL-RXGFPQBGSA-N 1 3 208.349 1.715 20 0 BDADHO CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055496 991369313 /nfs/dbraw/zinc/36/93/13/991369313.db2.gz BVHLQKKKNZAMSU-ZOBORPQBSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)C1 ZINC001560055496 991369322 /nfs/dbraw/zinc/36/93/22/991369322.db2.gz BVHLQKKKNZAMSU-ZOBORPQBSA-N 1 3 238.375 1.437 20 0 BDADHO CCC[NH2+][C@H](C)CCNC(=O)[C@@H](CC)N(C)C ZINC001317412652 991501745 /nfs/dbraw/zinc/50/17/45/991501745.db2.gz NUHAOZJOUKAQDD-VXGBXAGGSA-N 1 3 243.395 1.221 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@H](C)O[C@@H]1C ZINC001261424595 992295766 /nfs/dbraw/zinc/29/57/66/992295766.db2.gz YOYPVKCFINRBME-LMLFDSFASA-N 1 3 200.326 1.140 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)C1CNC1 ZINC001261661188 992454449 /nfs/dbraw/zinc/45/44/49/992454449.db2.gz ITPMXZXLICVWCD-IANFPDNMSA-N 1 3 230.302 1.618 20 0 BDADHO CC(C)(C[NH2+]C1CCNCC1)C1=CCOCC1 ZINC001573481793 992614703 /nfs/dbraw/zinc/61/47/03/992614703.db2.gz FLPAPPPVCMCDOB-UHFFFAOYSA-N 1 3 238.375 1.701 20 0 BDADHO CC(C)([NH3+])CCNC(=O)C[C@@H](N)c1ccccc1 ZINC001262043071 992628784 /nfs/dbraw/zinc/62/87/84/992628784.db2.gz GVCMIHDCXBFEEL-GFCCVEGCSA-N 1 3 249.358 1.320 20 0 BDADHO CCOC1CC(C[N@@H+]2CCC23CCNCC3)C1 ZINC001573795486 992713883 /nfs/dbraw/zinc/71/38/83/992713883.db2.gz ITHWPBGFSKTSHF-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO CCOC1CC(C[N@H+]2CCC23CCNCC3)C1 ZINC001573795486 992713894 /nfs/dbraw/zinc/71/38/94/992713894.db2.gz ITHWPBGFSKTSHF-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO CCOC1CC(CN2CCC23CC[NH2+]CC3)C1 ZINC001573795486 992713910 /nfs/dbraw/zinc/71/39/10/992713910.db2.gz ITHWPBGFSKTSHF-UHFFFAOYSA-N 1 3 238.375 1.629 20 0 BDADHO C([NH2+]C1CC2(C1)CCCC2)[C@H]1CNCCCO1 ZINC001574799981 992912443 /nfs/dbraw/zinc/91/24/43/992912443.db2.gz GRURPCINEIOIRR-CYBMUJFWSA-N 1 3 238.375 1.677 20 0 BDADHO C(NC1CC2(C1)CCCC2)[C@H]1C[NH2+]CCCO1 ZINC001574799981 992912452 /nfs/dbraw/zinc/91/24/52/992912452.db2.gz GRURPCINEIOIRR-CYBMUJFWSA-N 1 3 238.375 1.677 20 0 BDADHO CC(C)(CN)C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC001575315703 993004368 /nfs/dbraw/zinc/00/43/68/993004368.db2.gz WITQPYYSELKLJL-LBPRGKRZSA-N 1 3 240.347 1.005 20 0 BDADHO CC(C)(O)C[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001575379804 993031885 /nfs/dbraw/zinc/03/18/85/993031885.db2.gz LRVJKGXWJAZUMB-YPMHNXCESA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)(O)C[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001575379804 993031890 /nfs/dbraw/zinc/03/18/90/993031890.db2.gz LRVJKGXWJAZUMB-YPMHNXCESA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)[C@H](O)CCNC[C@@H]([NH3+])CC(F)(F)F ZINC001575470865 993049525 /nfs/dbraw/zinc/04/95/25/993049525.db2.gz FDEQHNSQVXAZDM-DTWKUNHWSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001575497666 993056175 /nfs/dbraw/zinc/05/61/75/993056175.db2.gz GCGPTAKFVQPYGX-NNYUYHANSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H](CC[NH3+])NCc1ccc2nonc2c1 ZINC001575961753 993141805 /nfs/dbraw/zinc/14/18/05/993141805.db2.gz HGSDNXVHVZFXFZ-QMMMGPOBSA-N 1 3 220.276 1.050 20 0 BDADHO C[C@@](C[NH3+])(NCc1cc[nH]c(=O)c1)C1CC1 ZINC001575976013 993147091 /nfs/dbraw/zinc/14/70/91/993147091.db2.gz QHCLPDXMKDPWDK-LBPRGKRZSA-N 1 3 221.304 1.004 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc2nsnc21 ZINC001575989111 993151219 /nfs/dbraw/zinc/15/12/19/993151219.db2.gz QXCZRQOSKZUVRS-QMMMGPOBSA-N 1 3 236.344 1.376 20 0 BDADHO C[NH2+]C1CC(C(=O)Nc2cccc3c2CNC3)C1 ZINC001263185481 993154231 /nfs/dbraw/zinc/15/42/31/993154231.db2.gz AROAXSJLWSFNSM-UHFFFAOYSA-N 1 3 245.326 1.226 20 0 BDADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1COC(C)(C)O1 ZINC001576240478 993230210 /nfs/dbraw/zinc/23/02/10/993230210.db2.gz ZRFXFHMKXFTUNL-QJPTWQEYSA-N 1 3 242.363 1.258 20 0 BDADHO COC1CCC(N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000379890413 993289985 /nfs/dbraw/zinc/28/99/85/993289985.db2.gz AMZPAHFEMAHEKR-HBIQZDMRSA-N 1 3 212.337 1.366 20 0 BDADHO C[C@@]1(CN[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC001576520139 993329701 /nfs/dbraw/zinc/32/97/01/993329701.db2.gz ZANGWJJVGAQOKG-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](N)CCC(C)(C)C ZINC001576572451 993351758 /nfs/dbraw/zinc/35/17/58/993351758.db2.gz LOHLKVNSKYKUKV-AGIUHOORSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](N)CCC(C)(C)C ZINC001576572451 993351761 /nfs/dbraw/zinc/35/17/61/993351761.db2.gz LOHLKVNSKYKUKV-AGIUHOORSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CO1 ZINC001576622343 993373818 /nfs/dbraw/zinc/37/38/18/993373818.db2.gz CRMPVCDHGYMYGZ-YVECIDJPSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1CC2(CC([NH2+][C@H]3C[C@H](N)C3)C2)CO1 ZINC001576637870 993382604 /nfs/dbraw/zinc/38/26/04/993382604.db2.gz XCMSAZSOUPAIDV-HVHKSXCFSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H]1CC2(CC(N[C@H]3C[C@H]([NH3+])C3)C2)CO1 ZINC001576637870 993382609 /nfs/dbraw/zinc/38/26/09/993382609.db2.gz XCMSAZSOUPAIDV-HVHKSXCFSA-N 1 3 210.321 1.023 20 0 BDADHO CCCCN(C)CC[NH2+]C1CCN(C)CC1 ZINC000381541721 993404553 /nfs/dbraw/zinc/40/45/53/993404553.db2.gz IEJMVMHPVDFPRL-UHFFFAOYSA-N 1 3 227.396 1.402 20 0 BDADHO C[C@H]1CCN(C[C@H]2COC(C)(C)O2)C[C@@H]1C[NH3+] ZINC001576731680 993408742 /nfs/dbraw/zinc/40/87/42/993408742.db2.gz MVSLRVJEHNTKJU-SRVKXCTJSA-N 1 3 242.363 1.055 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@H]1[NH3+] ZINC001576806043 993427614 /nfs/dbraw/zinc/42/76/14/993427614.db2.gz ALWITKBWAFVTNM-ZMJPVWNMSA-N 1 3 248.374 1.193 20 0 BDADHO C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1C ZINC001576806094 993430081 /nfs/dbraw/zinc/43/00/81/993430081.db2.gz BGTBJKWNSHSIJM-RWMBFGLXSA-N 1 3 225.380 1.010 20 0 BDADHO CC[C@@H](C)C[C@H](CO)[NH2+]CC(C)(C)CN ZINC001576971448 993475748 /nfs/dbraw/zinc/47/57/48/993475748.db2.gz PJFDDOABFSIGQF-GHMZBOCLSA-N 1 3 216.369 1.358 20 0 BDADHO CC[C@@H](C[NH2+]C[C@@H](CN)C(C)C)C(=O)OC ZINC001577091241 993502594 /nfs/dbraw/zinc/50/25/94/993502594.db2.gz ZHUSXJVOKICKHF-WDEREUQCSA-N 1 3 230.352 1.006 20 0 BDADHO CN1CC[C@@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000383744444 993511682 /nfs/dbraw/zinc/51/16/82/993511682.db2.gz ITVYXDVWLLOIJK-LBPRGKRZSA-N 1 3 237.391 1.155 20 0 BDADHO CC[C@@H]([NH3+])CNC[C@]1(C)CCCCO1 ZINC001577124939 993515260 /nfs/dbraw/zinc/51/52/60/993515260.db2.gz YOBJTTRNUDFBBJ-MNOVXSKESA-N 1 3 200.326 1.273 20 0 BDADHO CC[C@@]1(C)CCCN(C[C@@]2(O)CC[NH2+]C2)C1 ZINC001577205654 993545704 /nfs/dbraw/zinc/54/57/04/993545704.db2.gz VVTYUEMRNDHTJA-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC001577367950 993621910 /nfs/dbraw/zinc/62/19/10/993621910.db2.gz BRDUIHXPXGSTFI-HBNTYKKESA-N 1 3 200.326 1.007 20 0 BDADHO CCCNC(=O)CCCN(C)CC(C)(C)C[NH3+] ZINC001577538764 993682042 /nfs/dbraw/zinc/68/20/42/993682042.db2.gz KIEYOZCVKNRESY-UHFFFAOYSA-N 1 3 243.395 1.210 20 0 BDADHO CC(C)[NH+]1CCC(n2cnc3c2CNCC3)CC1 ZINC000387421030 993709619 /nfs/dbraw/zinc/70/96/19/993709619.db2.gz OEWDXPHWZVPFIF-UHFFFAOYSA-N 1 3 248.374 1.574 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2CCCN(C)CC2)C1 ZINC000389556274 993746984 /nfs/dbraw/zinc/74/69/84/993746984.db2.gz RQDSKVAODQWHBR-OLZOCXBDSA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)O[C@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658434 993896142 /nfs/dbraw/zinc/89/61/42/993896142.db2.gz RXAVVATYAOYZHH-UPJWGTAASA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000701658434 993896151 /nfs/dbraw/zinc/89/61/51/993896151.db2.gz RXAVVATYAOYZHH-UPJWGTAASA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000701658434 993896152 /nfs/dbraw/zinc/89/61/52/993896152.db2.gz RXAVVATYAOYZHH-UPJWGTAASA-N 1 3 226.364 1.626 20 0 BDADHO Cc1ncc(CN2CCC(C[NH3+])CC2)o1 ZINC000701843050 993921882 /nfs/dbraw/zinc/92/18/82/993921882.db2.gz HNAXFWJMGUWJMD-UHFFFAOYSA-N 1 3 209.293 1.154 20 0 BDADHO CC(C)(CO)CCCN[C@@H]1CCC[NH2+]C1 ZINC000393379026 993939853 /nfs/dbraw/zinc/93/98/53/993939853.db2.gz OMVIVMCFHKTCDU-LLVKDONJSA-N 1 3 214.353 1.127 20 0 BDADHO C[C@H]1CC([NH2+]C2CCNCC2)C[C@H](C)O1 ZINC000702212737 993971445 /nfs/dbraw/zinc/97/14/45/993971445.db2.gz BVGRKFKRKXYSLB-UWVGGRQHSA-N 1 3 212.337 1.284 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN(CC1CC1)C1CC1 ZINC000393859764 994018152 /nfs/dbraw/zinc/01/81/52/994018152.db2.gz FKZZRQHZYXFVAY-CQSZACIVSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCSC1 ZINC000822127073 994418121 /nfs/dbraw/zinc/41/81/21/994418121.db2.gz FFAKEAJWNZEFFH-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO C[N@H+](CCCN1CCCC1)[C@H]1CCOC1 ZINC000161712620 349489440 /nfs/dbraw/zinc/48/94/40/349489440.db2.gz WGUUDUGLNSJTBR-LBPRGKRZSA-N 1 3 212.337 1.193 20 0 BDADHO C[N@@H+](CCCN1CCCC1)[C@H]1CCOC1 ZINC000161712620 349489443 /nfs/dbraw/zinc/48/94/43/349489443.db2.gz WGUUDUGLNSJTBR-LBPRGKRZSA-N 1 3 212.337 1.193 20 0 BDADHO C1C[C@H]2C[C@H]([NH2+][C@@H]3CCCOCC3)CCN2C1 ZINC000157464861 136213789 /nfs/dbraw/zinc/21/37/89/136213789.db2.gz KVJXTTURKVJTNR-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H](CCO)C1(C[NH2+][C@@H](C)C[C@H](C)N)CCC1 ZINC000423019852 398160982 /nfs/dbraw/zinc/16/09/82/398160982.db2.gz XLUSTZMQCUQUIU-AGIUHOORSA-N 1 3 242.407 1.891 20 0 BDADHO CN(CCCCCF)C1CC[NH2+]CC1 ZINC000336686708 398188691 /nfs/dbraw/zinc/18/86/91/398188691.db2.gz LWRTXVQIPSNLAU-UHFFFAOYSA-N 1 3 202.317 1.810 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1nccs1 ZINC000235462635 398193972 /nfs/dbraw/zinc/19/39/72/398193972.db2.gz TWDBSVVZTXHDOX-GMTAPVOTSA-N 1 3 239.388 1.964 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1nccs1 ZINC000235462635 398193975 /nfs/dbraw/zinc/19/39/75/398193975.db2.gz TWDBSVVZTXHDOX-GMTAPVOTSA-N 1 3 239.388 1.964 20 0 BDADHO Cc1cc(N(C)CC[NH3+])c2ccccc2n1 ZINC000053663645 178099091 /nfs/dbraw/zinc/09/90/91/178099091.db2.gz JZKVXKMWSUSGSQ-UHFFFAOYSA-N 1 3 215.300 1.938 20 0 BDADHO CCC[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994613 398194438 /nfs/dbraw/zinc/19/44/38/398194438.db2.gz FLRNHPDQNYKINU-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)OC ZINC000385994613 398194441 /nfs/dbraw/zinc/19/44/41/398194441.db2.gz FLRNHPDQNYKINU-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@@H](C)CN[C@@H]1CCCC[NH2+]C1 ZINC000576250560 365538148 /nfs/dbraw/zinc/53/81/48/365538148.db2.gz ATCNTIJUZNNMDN-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccccc1 ZINC000199981027 398217417 /nfs/dbraw/zinc/21/74/17/398217417.db2.gz IJWHTFRKNCJMNR-RYUDHWBXSA-N 1 3 206.333 1.945 20 0 BDADHO Cc1cc(NC[C@H](C)N2CCN(C)CC2)cc[nH+]1 ZINC000274805049 178168373 /nfs/dbraw/zinc/16/83/73/178168373.db2.gz LGBHLHXPWCBQGA-ZDUSSCGKSA-N 1 3 248.374 1.438 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000576479963 365607869 /nfs/dbraw/zinc/60/78/69/365607869.db2.gz SPKZMMKVYCVGSZ-FIQHERPVSA-N 1 3 212.337 1.007 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000381273172 398249829 /nfs/dbraw/zinc/24/98/29/398249829.db2.gz IJHMPWCEXWXBQZ-RVMXOQNASA-N 1 3 228.380 1.907 20 0 BDADHO CCC[C@@](C)(N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000576634737 365643801 /nfs/dbraw/zinc/64/38/01/365643801.db2.gz FKIRRCOYGFFNNO-GXFFZTMASA-N 1 3 241.379 1.090 20 0 BDADHO C[NH2+]CCCN(CCOC)C1CCCC1 ZINC000381506716 398253753 /nfs/dbraw/zinc/25/37/53/398253753.db2.gz SUYYTOANTJUAPZ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CNCCC[N@H+](CCOC)C1CCCC1 ZINC000381506716 398253754 /nfs/dbraw/zinc/25/37/54/398253754.db2.gz SUYYTOANTJUAPZ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO CNCCC[N@@H+](CCOC)C1CCCC1 ZINC000381506716 398253755 /nfs/dbraw/zinc/25/37/55/398253755.db2.gz SUYYTOANTJUAPZ-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO [NH3+]C1(CNC2CCOCC2)CCCCCC1 ZINC000334838493 398273648 /nfs/dbraw/zinc/27/36/48/398273648.db2.gz VVPSSRMVCXIKMB-UHFFFAOYSA-N 1 3 226.364 1.807 20 0 BDADHO [NH3+]CC[C@H]1CCCN(Cc2cncs2)C1 ZINC000166660994 361854742 /nfs/dbraw/zinc/85/47/42/361854742.db2.gz FZXJKIZNJWTHPY-SNVBAGLBSA-N 1 3 225.361 1.704 20 0 BDADHO CN1CC[C@H](NC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000335626073 136240915 /nfs/dbraw/zinc/24/09/15/136240915.db2.gz XDYWCVFTUKMIKG-DZGCQCFKSA-N 1 3 245.370 1.383 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062948705 539017599 /nfs/dbraw/zinc/01/75/99/539017599.db2.gz HTZGYVGYROHERD-QWHCGFSZSA-N 1 3 225.380 1.153 20 0 BDADHO C=Cn1cc(CNCC2CC[NH+](CC)CC2)cn1 ZINC000233979641 342916025 /nfs/dbraw/zinc/91/60/25/342916025.db2.gz GHBABRJONLTJIO-UHFFFAOYSA-N 1 3 248.374 1.805 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2Cc3ccccc3O2)C1 ZINC000222969886 259330949 /nfs/dbraw/zinc/33/09/49/259330949.db2.gz HDFITYVMLGNJQM-RDBSUJKOSA-N 1 3 246.354 1.850 20 0 BDADHO CCC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394341305 398336531 /nfs/dbraw/zinc/33/65/31/398336531.db2.gz XWFJNTRXAGGCNS-QNMSZWNNSA-N 1 3 240.391 1.704 20 0 BDADHO CCC[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394341305 398336532 /nfs/dbraw/zinc/33/65/32/398336532.db2.gz XWFJNTRXAGGCNS-QNMSZWNNSA-N 1 3 240.391 1.704 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000234889113 342957446 /nfs/dbraw/zinc/95/74/46/342957446.db2.gz GYNQFGQNEBVTCZ-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](CCO)C1 ZINC000678075737 488191325 /nfs/dbraw/zinc/19/13/25/488191325.db2.gz NYRUHSRJLSKCRM-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](CCO)C1 ZINC000678075737 488191327 /nfs/dbraw/zinc/19/13/27/488191327.db2.gz NYRUHSRJLSKCRM-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO NC[C@H]1C[N@H+](CCCCCF)CCCO1 ZINC000313395540 259334574 /nfs/dbraw/zinc/33/45/74/259334574.db2.gz PJINBJWKTMQZJZ-NSHDSACASA-N 1 3 218.316 1.176 20 0 BDADHO NC[C@H]1C[N@@H+](CCCCCF)CCCO1 ZINC000313395540 259334578 /nfs/dbraw/zinc/33/45/78/259334578.db2.gz PJINBJWKTMQZJZ-NSHDSACASA-N 1 3 218.316 1.176 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000495259541 529573686 /nfs/dbraw/zinc/57/36/86/529573686.db2.gz APGXOXLCYNSNJG-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@]1(O)CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000495259541 529573688 /nfs/dbraw/zinc/57/36/88/529573688.db2.gz APGXOXLCYNSNJG-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO COCCN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211958892 343017440 /nfs/dbraw/zinc/01/74/40/343017440.db2.gz GXUOMYWCZPXVPN-UHFFFAOYSA-N 1 3 234.343 1.411 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccco1 ZINC000308806306 259340767 /nfs/dbraw/zinc/34/07/67/259340767.db2.gz AGHFJGGGMFXACZ-MNOVXSKESA-N 1 3 210.321 1.785 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CCO1 ZINC000235379691 343011338 /nfs/dbraw/zinc/01/13/38/343011338.db2.gz CCKIGEUUJNGVEG-DDHJBXDOSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CO1 ZINC000402110736 349793040 /nfs/dbraw/zinc/79/30/40/349793040.db2.gz DCAZJHAMCIZGPJ-WISYIIOYSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])CO1 ZINC000402110736 349793043 /nfs/dbraw/zinc/79/30/43/349793043.db2.gz DCAZJHAMCIZGPJ-WISYIIOYSA-N 1 3 212.337 1.271 20 0 BDADHO COC[C@@H](C)CN(C)CCC[NH+]1CCCC1 ZINC000120562233 343126867 /nfs/dbraw/zinc/12/68/67/343126867.db2.gz MPKLCWJWKGOZPX-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO Cc1c(CN(C)CC2CC[NH2+]CC2)cnn1C ZINC000094011032 343152511 /nfs/dbraw/zinc/15/25/11/343152511.db2.gz VLEBJDANFJHYLG-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO C[N@@H+]1CCC[C@H](CNCC2=CCCOC2)C1 ZINC000124709589 343164393 /nfs/dbraw/zinc/16/43/93/343164393.db2.gz OVLMGPJUPWOGPH-GFCCVEGCSA-N 1 3 224.348 1.265 20 0 BDADHO C[N@H+]1CCC[C@H](CNCC2=CCCOC2)C1 ZINC000124709589 343164395 /nfs/dbraw/zinc/16/43/95/343164395.db2.gz OVLMGPJUPWOGPH-GFCCVEGCSA-N 1 3 224.348 1.265 20 0 BDADHO COCCOCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000158952004 343201225 /nfs/dbraw/zinc/20/12/25/343201225.db2.gz SWRUWSZIODJTJA-OLZOCXBDSA-N 1 3 244.379 1.289 20 0 BDADHO CCCN1CCN(c2cc[nH+]cc2C)CC1 ZINC000192523211 365740526 /nfs/dbraw/zinc/74/05/26/365740526.db2.gz WGTRWYUJUJLLJP-UHFFFAOYSA-N 1 3 219.332 1.922 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H](C[NH3+])C(C)(C)C)O1 ZINC000634688491 343247886 /nfs/dbraw/zinc/24/78/86/343247886.db2.gz UMMMRWYGDUSARF-GMTAPVOTSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000348754941 136297235 /nfs/dbraw/zinc/29/72/35/136297235.db2.gz DTPNKGQRFFTKLJ-WCQYABFASA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000348754941 136297236 /nfs/dbraw/zinc/29/72/36/136297236.db2.gz DTPNKGQRFFTKLJ-WCQYABFASA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000348756354 136297550 /nfs/dbraw/zinc/29/75/50/136297550.db2.gz NUTQFUZYJFZTFQ-YPMHNXCESA-N 1 3 236.363 1.251 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397776171 262933202 /nfs/dbraw/zinc/93/32/02/262933202.db2.gz MXOKQXZIDXYRTM-WJTVCTBASA-N 1 3 208.349 1.892 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2ccccc2)C1 ZINC000166216115 136309444 /nfs/dbraw/zinc/30/94/44/136309444.db2.gz FSUJYXLUYMHCNL-TZMCWYRMSA-N 1 3 218.344 1.898 20 0 BDADHO CC(C)(C)[NH+]1CCC(NC[C@H](O)C2CC2)CC1 ZINC000348962853 136311031 /nfs/dbraw/zinc/31/10/31/136311031.db2.gz IISVDDNLKPLOIR-ZDUSSCGKSA-N 1 3 240.391 1.610 20 0 BDADHO CN(C)[C@@H](CNC(=O)CCC[NH3+])c1ccccc1 ZINC000040802220 343409377 /nfs/dbraw/zinc/40/93/77/343409377.db2.gz ADRJTABRPLGTCE-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO CC[N@H+](CCCN(C)C)CC1=CCCOC1 ZINC000349422918 136345597 /nfs/dbraw/zinc/34/55/97/136345597.db2.gz WNNUEGSBJPPSHV-UHFFFAOYSA-N 1 3 226.364 1.607 20 0 BDADHO CC[N@@H+](CCCN(C)C)CC1=CCCOC1 ZINC000349422918 136345598 /nfs/dbraw/zinc/34/55/98/136345598.db2.gz WNNUEGSBJPPSHV-UHFFFAOYSA-N 1 3 226.364 1.607 20 0 BDADHO CN(C[C@@H]1CCCOC1)CC(C)(C)C[NH3+] ZINC000082545353 343447310 /nfs/dbraw/zinc/44/73/10/343447310.db2.gz HCIPTUWNFSNUPE-NSHDSACASA-N 1 3 214.353 1.330 20 0 BDADHO C[C@H]1OCC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335854128 136355641 /nfs/dbraw/zinc/35/56/41/136355641.db2.gz VTOGQOSFSVYIPY-BLYZHGLHSA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)([NH3+])CNC[C@H](N)c1ccccc1 ZINC000576992573 365746092 /nfs/dbraw/zinc/74/60/92/365746092.db2.gz ULTHBOMLENPXKP-NSHDSACASA-N 1 3 207.321 1.013 20 0 BDADHO COCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250180788 536894412 /nfs/dbraw/zinc/89/44/12/536894412.db2.gz VNEKBSMVTMNSOX-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000044500604 343504353 /nfs/dbraw/zinc/50/43/53/343504353.db2.gz JGYSYZXSKHNGMC-QWRGUYRKSA-N 1 3 224.352 1.411 20 0 BDADHO CCN1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)[C@H](C)C1 ZINC000624257619 343620131 /nfs/dbraw/zinc/62/01/31/343620131.db2.gz KMIKIVDLTZEVCS-DGCLKSJQSA-N 1 3 249.358 1.607 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000049557624 343602593 /nfs/dbraw/zinc/60/25/93/343602593.db2.gz JRBNXPKVRZUDQU-LLVKDONJSA-N 1 3 249.358 1.215 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNC[C@]1(C)CCCO1 ZINC000087255779 343641732 /nfs/dbraw/zinc/64/17/32/343641732.db2.gz DEGZUUOBRFDZMH-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@]1(CNC[C@]2(C)CCCO2)CC[NH2+]C1 ZINC000087255589 343642002 /nfs/dbraw/zinc/64/20/02/343642002.db2.gz RVNBPJFBTPZFFR-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNC[C@@]1(C)CCCO1 ZINC000087255783 343642013 /nfs/dbraw/zinc/64/20/13/343642013.db2.gz DEGZUUOBRFDZMH-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCCNC1)C(C)C ZINC000087647477 343656086 /nfs/dbraw/zinc/65/60/86/343656086.db2.gz GUTRNDXNCWHLJT-NEPJUHHUSA-N 1 3 214.353 1.247 20 0 BDADHO COC[C@H](NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000087647477 343656088 /nfs/dbraw/zinc/65/60/88/343656088.db2.gz GUTRNDXNCWHLJT-NEPJUHHUSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@@H+]1C ZINC000392765922 349875948 /nfs/dbraw/zinc/87/59/48/349875948.db2.gz SUNFLAWLANHYHK-CMPLNLGQSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@H]1C[C@H](NCc2ccc(=O)[nH]c2)CC[N@H+]1C ZINC000392765922 349875951 /nfs/dbraw/zinc/87/59/51/349875951.db2.gz SUNFLAWLANHYHK-CMPLNLGQSA-N 1 3 235.331 1.360 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842307 344093708 /nfs/dbraw/zinc/09/37/08/344093708.db2.gz ZYTUBUKOXXZAEA-CYBMUJFWSA-N 1 3 226.364 1.314 20 0 BDADHO CC(C)N(C)C[C@H](O)C[NH+](C1CC1)C1CC1 ZINC000625842308 344093923 /nfs/dbraw/zinc/09/39/23/344093923.db2.gz ZYTUBUKOXXZAEA-ZDUSSCGKSA-N 1 3 226.364 1.314 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ccccc2)C1 ZINC000093215580 344312579 /nfs/dbraw/zinc/31/25/79/344312579.db2.gz NGUVXYXLLWIWLO-CHWSQXEVSA-N 1 3 234.343 1.925 20 0 BDADHO COC(=O)CCCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000600708211 344360796 /nfs/dbraw/zinc/36/07/96/344360796.db2.gz DOAJRFRZNZYDBU-RYUDHWBXSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000600708211 344360798 /nfs/dbraw/zinc/36/07/98/344360798.db2.gz DOAJRFRZNZYDBU-RYUDHWBXSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000600708211 344360800 /nfs/dbraw/zinc/36/08/00/344360800.db2.gz DOAJRFRZNZYDBU-RYUDHWBXSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[NH2+][C@H]1CCNCC1(C)C ZINC000600708730 344361114 /nfs/dbraw/zinc/36/11/14/344361114.db2.gz FNUOSYFHQNXUDQ-NSHDSACASA-N 1 3 242.363 1.307 20 0 BDADHO COC(=O)CCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000600712513 344361596 /nfs/dbraw/zinc/36/15/96/344361596.db2.gz XSYCTHCLANPDNO-WDEREUQCSA-N 1 3 228.336 1.141 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c[nH]nc2c1 ZINC000566229886 344480164 /nfs/dbraw/zinc/48/01/64/344480164.db2.gz RFWCVJPKNKYZSB-ZJUUUORDSA-N 1 3 232.331 1.778 20 0 BDADHO C1CSC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000220667038 344564626 /nfs/dbraw/zinc/56/46/26/344564626.db2.gz VAUKLAKFXANNHJ-JTQLQIEISA-N 1 3 200.351 1.224 20 0 BDADHO C1CSC[C@@H](NC2CC[NH2+]CC2)C1 ZINC000220667038 344564627 /nfs/dbraw/zinc/56/46/27/344564627.db2.gz VAUKLAKFXANNHJ-JTQLQIEISA-N 1 3 200.351 1.224 20 0 BDADHO CSCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128043414 344725184 /nfs/dbraw/zinc/72/51/84/344725184.db2.gz UDCNLRBJXQEVKE-GHMZBOCLSA-N 1 3 214.378 1.566 20 0 BDADHO CSCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128043414 344725186 /nfs/dbraw/zinc/72/51/86/344725186.db2.gz UDCNLRBJXQEVKE-GHMZBOCLSA-N 1 3 214.378 1.566 20 0 BDADHO Cc1cnc(CCN[C@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000578231070 344737228 /nfs/dbraw/zinc/73/72/28/344737228.db2.gz AEDQRHWVDJWZBH-STQMWFEESA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2CN)nc1 ZINC000578231070 344737229 /nfs/dbraw/zinc/73/72/29/344737229.db2.gz AEDQRHWVDJWZBH-STQMWFEESA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCCC[C@H]2C[NH3+])nc1 ZINC000578231069 344737631 /nfs/dbraw/zinc/73/76/31/344737631.db2.gz AEDQRHWVDJWZBH-QWHCGFSZSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2CN)nc1 ZINC000578231069 344737635 /nfs/dbraw/zinc/73/76/35/344737635.db2.gz AEDQRHWVDJWZBH-QWHCGFSZSA-N 1 3 248.374 1.435 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000155246663 345074785 /nfs/dbraw/zinc/07/47/85/345074785.db2.gz ZMMVEMSHDVWMIW-TUAOUCFPSA-N 1 3 243.395 1.192 20 0 BDADHO COC[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074729 345123659 /nfs/dbraw/zinc/12/36/59/345123659.db2.gz SROXFHWZBBOLIB-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074729 345123663 /nfs/dbraw/zinc/12/36/63/345123663.db2.gz SROXFHWZBBOLIB-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156074729 345123665 /nfs/dbraw/zinc/12/36/65/345123665.db2.gz SROXFHWZBBOLIB-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO c1ccc(COCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000390224138 259382561 /nfs/dbraw/zinc/38/25/61/259382561.db2.gz AYEOAQMTRNQNMK-HNNXBMFYSA-N 1 3 248.370 1.935 20 0 BDADHO CC(C)[C@H](C[NH3+])CN[C@@H]1CNc2ccccc2C1 ZINC000634996318 345187565 /nfs/dbraw/zinc/18/75/65/345187565.db2.gz GPIZFRNKBWPMRM-KGLIPLIRSA-N 1 3 247.386 1.844 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000634996318 345187567 /nfs/dbraw/zinc/18/75/67/345187567.db2.gz GPIZFRNKBWPMRM-KGLIPLIRSA-N 1 3 247.386 1.844 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CCCC23CC3)C1 ZINC000634997596 345197669 /nfs/dbraw/zinc/19/76/69/345197669.db2.gz OOVGMDMKYVSEMM-SRVKXCTJSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)(F)C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000635002964 345205678 /nfs/dbraw/zinc/20/56/78/345205678.db2.gz CLAVCRIJHBFHRG-UWVGGRQHSA-N 1 3 202.317 1.984 20 0 BDADHO CCC[C@@H](CCO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004440 345207791 /nfs/dbraw/zinc/20/77/91/345207791.db2.gz OMFMTLJIXUQXLZ-ACJTYDJDSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@H](C)O1 ZINC000635007864 345209369 /nfs/dbraw/zinc/20/93/69/345209369.db2.gz BNQUTHJPYFEJOW-XQHKEYJVSA-N 1 3 240.391 1.920 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635010783 345212845 /nfs/dbraw/zinc/21/28/45/345212845.db2.gz BEFRGAMIYPRDBO-JQCXWYLXSA-N 1 3 222.254 1.654 20 0 BDADHO C[C@@H](CCCCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012609 345214198 /nfs/dbraw/zinc/21/41/98/345214198.db2.gz UMZVBXAUEHFWPJ-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000635007640 345215062 /nfs/dbraw/zinc/21/50/62/345215062.db2.gz WPZUKFNEEWGWSQ-SRVKXCTJSA-N 1 3 234.347 1.645 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc2c1CCOC2 ZINC000635014206 345219115 /nfs/dbraw/zinc/21/91/15/345219115.db2.gz ZBVJFMAKRVCPKK-RYUDHWBXSA-N 1 3 248.370 1.975 20 0 BDADHO c1coc(CCN[C@@H]2CCC[NH2+]CC2)c1 ZINC000168718609 345380284 /nfs/dbraw/zinc/38/02/84/345380284.db2.gz ARMHJSKVYPOPCA-LLVKDONJSA-N 1 3 208.305 1.554 20 0 BDADHO CC[NH+](CC)CCCN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140196 345644867 /nfs/dbraw/zinc/64/48/67/345644867.db2.gz RLWZDVMSURPEOM-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140196 345644870 /nfs/dbraw/zinc/64/48/70/345644870.db2.gz RLWZDVMSURPEOM-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140196 345644873 /nfs/dbraw/zinc/64/48/73/345644873.db2.gz RLWZDVMSURPEOM-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO Cc1ncc(CNCCCC[NH+](C)C)o1 ZINC000628209976 345811190 /nfs/dbraw/zinc/81/11/90/345811190.db2.gz BRMATARHLTYVQG-UHFFFAOYSA-N 1 3 211.309 1.414 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000164454157 133578374 /nfs/dbraw/zinc/57/83/74/133578374.db2.gz RWLBRHLFSADBKK-NNYUYHANSA-N 1 3 214.353 1.253 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)N[C@H]1CC[C@H](C)C1 ZINC000641771644 362710495 /nfs/dbraw/zinc/71/04/95/362710495.db2.gz KRYLAGDOQIKBFE-MELADBBJSA-N 1 3 242.407 1.857 20 0 BDADHO COC1(C[NH2+][C@H]2CCNC[C@H]2C)CCCC1 ZINC000381604581 346416875 /nfs/dbraw/zinc/41/68/75/346416875.db2.gz PMZFXKROUKRXCD-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO COC1(CN[C@H]2CC[NH2+]C[C@H]2C)CCCC1 ZINC000381604581 346416876 /nfs/dbraw/zinc/41/68/76/346416876.db2.gz PMZFXKROUKRXCD-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000577094464 365813796 /nfs/dbraw/zinc/81/37/96/365813796.db2.gz GJXWKXCYCLXKDQ-NDBYEHHHSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@H]1CCC[N@H+](CCc2cncn2C)[C@@H]1CN ZINC000641797016 362741639 /nfs/dbraw/zinc/74/16/39/362741639.db2.gz PRTKKHPKGJFMNX-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1CCC[N@@H+](CCc2cncn2C)[C@@H]1CN ZINC000641797016 362741640 /nfs/dbraw/zinc/74/16/40/362741640.db2.gz PRTKKHPKGJFMNX-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCO[C@H]1CC1(F)F ZINC000641800729 362753346 /nfs/dbraw/zinc/75/33/46/362753346.db2.gz DRYMJTKGJHAKMM-VGMNWLOBSA-N 1 3 234.290 1.126 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000641800729 362753350 /nfs/dbraw/zinc/75/33/50/362753350.db2.gz DRYMJTKGJHAKMM-VGMNWLOBSA-N 1 3 234.290 1.126 20 0 BDADHO Cc1cc(C)n(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800802 362753388 /nfs/dbraw/zinc/75/33/88/362753388.db2.gz GFPMJTOBFQAHOM-NEPJUHHUSA-N 1 3 236.363 1.215 20 0 BDADHO Cc1cc(C)n(CC[NH2+][C@H]2C[C@@H](N)C2(C)C)n1 ZINC000641800802 362753390 /nfs/dbraw/zinc/75/33/90/362753390.db2.gz GFPMJTOBFQAHOM-NEPJUHHUSA-N 1 3 236.363 1.215 20 0 BDADHO [NH3+]C[C@H]1CCCN1C1CCSCC1 ZINC000168804512 346743660 /nfs/dbraw/zinc/74/36/60/346743660.db2.gz WYARSQZDHUENEU-SNVBAGLBSA-N 1 3 200.351 1.305 20 0 BDADHO CN1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987124 /nfs/dbraw/zinc/98/71/24/537987124.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250603039 537987131 /nfs/dbraw/zinc/98/71/31/537987131.db2.gz KOMYMQCDAUTKKJ-MELADBBJSA-N 1 3 237.391 1.297 20 0 BDADHO CN1C[C@@H]2C[N@@H+](CCc3ccccc3F)C[C@@H]2C1 ZINC000193631489 347400649 /nfs/dbraw/zinc/40/06/49/347400649.db2.gz AZCADCQXNLWDMS-OKILXGFUSA-N 1 3 248.345 1.862 20 0 BDADHO CN1C[C@@H]2C[N@H+](CCc3ccccc3F)C[C@@H]2C1 ZINC000193631489 347400654 /nfs/dbraw/zinc/40/06/54/347400654.db2.gz AZCADCQXNLWDMS-OKILXGFUSA-N 1 3 248.345 1.862 20 0 BDADHO c1cnn(CCCCCN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000591373868 347649806 /nfs/dbraw/zinc/64/98/06/347649806.db2.gz HBHUNXIJXFGNDX-ZIAGYGMSSA-N 1 3 248.374 1.205 20 0 BDADHO CSCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000591567857 347670591 /nfs/dbraw/zinc/67/05/91/347670591.db2.gz YHYMARVCFSCTQW-VHSXEESVSA-N 1 3 202.367 1.599 20 0 BDADHO CC[C@H](C[N@H+](C)CCCN1CCCC1)OC ZINC000419288913 192117827 /nfs/dbraw/zinc/11/78/27/192117827.db2.gz IIJOQVOJCSPJOF-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CC[C@H](C[N@@H+](C)CCCN1CCCC1)OC ZINC000419288913 192117829 /nfs/dbraw/zinc/11/78/29/192117829.db2.gz IIJOQVOJCSPJOF-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000251612690 362891872 /nfs/dbraw/zinc/89/18/72/362891872.db2.gz PURVJFXYJLCJNY-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000251612691 362891999 /nfs/dbraw/zinc/89/19/99/362891999.db2.gz PURVJFXYJLCJNY-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503782 362927342 /nfs/dbraw/zinc/92/73/42/362927342.db2.gz NRVFHLGCOVXZSB-QWRGUYRKSA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503782 362927344 /nfs/dbraw/zinc/92/73/44/362927344.db2.gz NRVFHLGCOVXZSB-QWRGUYRKSA-N 1 3 214.353 1.484 20 0 BDADHO C(CN[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000069606476 490174681 /nfs/dbraw/zinc/17/46/81/490174681.db2.gz HDEQUJLBSKUEML-LBPRGKRZSA-N 1 3 212.337 1.241 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCCOC1)CN1CCCC1 ZINC000070014400 490197314 /nfs/dbraw/zinc/19/73/14/490197314.db2.gz SBQDHMBBGMFBIR-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](CN[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014400 490197323 /nfs/dbraw/zinc/19/73/23/490197323.db2.gz SBQDHMBBGMFBIR-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000250636407 349177909 /nfs/dbraw/zinc/17/79/09/349177909.db2.gz FXCDOONSAHOQKH-UTUOFQBUSA-N 1 3 212.337 1.273 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000250224802 349168656 /nfs/dbraw/zinc/16/86/56/349168656.db2.gz FIERLNXUEIDLDO-CRWXNKLISA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1N ZINC000581661116 350039225 /nfs/dbraw/zinc/03/92/25/350039225.db2.gz MCWNXPHLWPSYCG-WISYIIOYSA-N 1 3 212.337 1.413 20 0 BDADHO COC(=O)C(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000304343438 350154629 /nfs/dbraw/zinc/15/46/29/350154629.db2.gz BQQFGRGAZNSMBA-ZJUUUORDSA-N 1 3 228.336 1.045 20 0 BDADHO COC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000304343438 350154631 /nfs/dbraw/zinc/15/46/31/350154631.db2.gz BQQFGRGAZNSMBA-ZJUUUORDSA-N 1 3 228.336 1.045 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCOC2)[C@H](C)C1 ZINC000133048186 191036738 /nfs/dbraw/zinc/03/67/38/191036738.db2.gz ZXVVOTLLGNNSHJ-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2CCOC2)[C@H](C)C1 ZINC000133048186 191036740 /nfs/dbraw/zinc/03/67/40/191036740.db2.gz ZXVVOTLLGNNSHJ-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO Cc1ncsc1CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122360877 180309336 /nfs/dbraw/zinc/30/93/36/180309336.db2.gz SXLOFNQZYGEJKN-GXSJLCMTSA-N 1 3 239.388 1.663 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328174743 350375110 /nfs/dbraw/zinc/37/51/10/350375110.db2.gz KYHARASYVSUEKO-YNEHKIRRSA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328174743 350375114 /nfs/dbraw/zinc/37/51/14/350375114.db2.gz KYHARASYVSUEKO-YNEHKIRRSA-N 1 3 226.364 1.208 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCCC[C@H]2O)C1 ZINC000328174743 350375117 /nfs/dbraw/zinc/37/51/17/350375117.db2.gz KYHARASYVSUEKO-YNEHKIRRSA-N 1 3 226.364 1.208 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000163507231 350524379 /nfs/dbraw/zinc/52/43/79/350524379.db2.gz FNXOYGHNRCRIGF-UONOGXRCSA-N 1 3 241.423 1.648 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251849882 350904669 /nfs/dbraw/zinc/90/46/69/350904669.db2.gz RQJPNEJGEHXPIN-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000251925670 362987969 /nfs/dbraw/zinc/98/79/69/362987969.db2.gz UXPSDSKJQIYQHK-YVECIDJPSA-N 1 3 226.364 1.613 20 0 BDADHO CC[C@@H](N)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000572517197 363058230 /nfs/dbraw/zinc/05/82/30/363058230.db2.gz FQMTYTKTCGXEMK-IJLUTSLNSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C1CCSCC1 ZINC000307211419 351611339 /nfs/dbraw/zinc/61/13/39/351611339.db2.gz NTQPOSCUYBDDHI-PSASIEDQSA-N 1 3 200.351 1.304 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000637801685 351632712 /nfs/dbraw/zinc/63/27/12/351632712.db2.gz NWBNBHNVPAJUHL-VIFPVBQESA-N 1 3 221.304 1.082 20 0 BDADHO C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(CN)c2)C1 ZINC000637802310 351634587 /nfs/dbraw/zinc/63/45/87/351634587.db2.gz UJHKSRCTAJGDSF-LBPRGKRZSA-N 1 3 247.342 1.426 20 0 BDADHO C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(CN)c2)C1 ZINC000637802310 351634592 /nfs/dbraw/zinc/63/45/92/351634592.db2.gz UJHKSRCTAJGDSF-LBPRGKRZSA-N 1 3 247.342 1.426 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000637809326 351646286 /nfs/dbraw/zinc/64/62/86/351646286.db2.gz PSFFWOHWFSTUFF-JTQLQIEISA-N 1 3 235.331 1.343 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000637816455 351656019 /nfs/dbraw/zinc/65/60/19/351656019.db2.gz LWPBXQYHLYOOMB-RYUDHWBXSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H]1C[C@@H](CN(C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650097 366032133 /nfs/dbraw/zinc/03/21/33/366032133.db2.gz CVXQLJAODDJINR-MNOVXSKESA-N 1 3 222.336 1.230 20 0 BDADHO C[C@@H]1C[C@@H](CN(C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650097 366032137 /nfs/dbraw/zinc/03/21/37/366032137.db2.gz CVXQLJAODDJINR-MNOVXSKESA-N 1 3 222.336 1.230 20 0 BDADHO CC(C)[C@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000637849110 351706638 /nfs/dbraw/zinc/70/66/38/351706638.db2.gz MSKBSRWVVUDUQP-LLVKDONJSA-N 1 3 243.395 1.064 20 0 BDADHO CCNCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000577720046 366042857 /nfs/dbraw/zinc/04/28/57/366042857.db2.gz NQMJWRRYHUPAGA-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2CCCC(F)(F)[C@H]2O)C1 ZINC000577768958 366056085 /nfs/dbraw/zinc/05/60/85/366056085.db2.gz YIHUKHSDVVNEDN-ZDCRXTMVSA-N 1 3 248.317 1.395 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000638049755 351927282 /nfs/dbraw/zinc/92/72/82/351927282.db2.gz HIZWVJOIZYORDM-NSHDSACASA-N 1 3 243.395 1.206 20 0 BDADHO C(C1CCSCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186353 352052318 /nfs/dbraw/zinc/05/23/18/352052318.db2.gz RJWFVRKTRXBUIS-TXEJJXNPSA-N 1 3 226.389 1.281 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638202601 352064523 /nfs/dbraw/zinc/06/45/23/352064523.db2.gz ATHJSGMRQGESIM-NSHDSACASA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638365238 352176169 /nfs/dbraw/zinc/17/61/69/352176169.db2.gz WJZNSZHSKMQVJL-GRYCIOLGSA-N 1 3 241.379 1.136 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000638380593 352191112 /nfs/dbraw/zinc/19/11/12/352191112.db2.gz CUGWDZKMEDRHHV-OLZOCXBDSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)Cc2cnccn2)C1 ZINC000638380593 352191114 /nfs/dbraw/zinc/19/11/14/352191114.db2.gz CUGWDZKMEDRHHV-OLZOCXBDSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@H](C)Cc2cnccn2)C1 ZINC000638380593 352191117 /nfs/dbraw/zinc/19/11/17/352191117.db2.gz CUGWDZKMEDRHHV-OLZOCXBDSA-N 1 3 248.374 1.339 20 0 BDADHO CC(C)COCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261530960 535176763 /nfs/dbraw/zinc/17/67/63/535176763.db2.gz DQZMEJYTCNNYNW-RYUDHWBXSA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414949127 352370507 /nfs/dbraw/zinc/37/05/07/352370507.db2.gz NBQLRGSMQBOANU-XQQFMLRXSA-N 1 3 228.380 1.778 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414949127 352370509 /nfs/dbraw/zinc/37/05/09/352370509.db2.gz NBQLRGSMQBOANU-XQQFMLRXSA-N 1 3 228.380 1.778 20 0 BDADHO CCC[C@@H](CC)NC[C@@]1(COC)CCC[NH2+]1 ZINC000414955857 352374948 /nfs/dbraw/zinc/37/49/48/352374948.db2.gz NUAYESLVZXZPHB-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412097243 191260979 /nfs/dbraw/zinc/26/09/79/191260979.db2.gz UZBQVCLYHVVSKF-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412097243 191260981 /nfs/dbraw/zinc/26/09/81/191260981.db2.gz UZBQVCLYHVVSKF-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CC(C)C[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821818 353002677 /nfs/dbraw/zinc/00/26/77/353002677.db2.gz BAVFJDBYCLSUFZ-NWDGAFQWSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000398681566 353129025 /nfs/dbraw/zinc/12/90/25/353129025.db2.gz NSEZYHVSCBBCQU-FIQHERPVSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)[C@H](C(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000122210288 188250360 /nfs/dbraw/zinc/25/03/60/188250360.db2.gz XFBJUXVGMJBEBB-GFCCVEGCSA-N 1 3 243.395 1.029 20 0 BDADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000122210288 188250362 /nfs/dbraw/zinc/25/03/62/188250362.db2.gz XFBJUXVGMJBEBB-GFCCVEGCSA-N 1 3 243.395 1.029 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@@H]1CN(C)C[C@@H]1C ZINC000336661616 188256111 /nfs/dbraw/zinc/25/61/11/188256111.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 1 3 227.396 1.256 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@@H]1CN(C)C[C@@H]1C ZINC000336661616 188256112 /nfs/dbraw/zinc/25/61/12/188256112.db2.gz KCLCRAHUDNXKQB-QWHCGFSZSA-N 1 3 227.396 1.256 20 0 BDADHO C(C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)[C@H]1CCOC1 ZINC000348102678 188258302 /nfs/dbraw/zinc/25/83/02/188258302.db2.gz BFUXBZUKXWVOOC-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO C(C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)[C@H]1CCOC1 ZINC000348102678 188258303 /nfs/dbraw/zinc/25/83/03/188258303.db2.gz BFUXBZUKXWVOOC-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO Cc1nn(C)cc1CNCC1=CC[N@H+](C)CC1 ZINC000271832736 188262670 /nfs/dbraw/zinc/26/26/70/188262670.db2.gz PCUAPYZMTDCJEC-UHFFFAOYSA-N 1 3 234.347 1.080 20 0 BDADHO Cc1nn(C)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000271832736 188262671 /nfs/dbraw/zinc/26/26/71/188262671.db2.gz PCUAPYZMTDCJEC-UHFFFAOYSA-N 1 3 234.347 1.080 20 0 BDADHO C1=CCN(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271543 /nfs/dbraw/zinc/27/15/43/188271543.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 1 3 249.402 1.465 20 0 BDADHO C1=CCN(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000355569186 188271544 /nfs/dbraw/zinc/27/15/44/188271544.db2.gz QISSATSEUZNSFC-HUUCEWRRSA-N 1 3 249.402 1.465 20 0 BDADHO C(C[NH2+]C1CCSCC1)CN1CCCC1 ZINC000035120934 188274743 /nfs/dbraw/zinc/27/47/43/188274743.db2.gz HUWYVVSZUNVOSC-UHFFFAOYSA-N 1 3 228.405 1.958 20 0 BDADHO CCC[C@H](CC)[NH2+]CC1(O)CCN(C)CC1 ZINC000336744411 188346013 /nfs/dbraw/zinc/34/60/13/188346013.db2.gz UWLSNDUIOKYVCT-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CN(CCC[NH+]1CCCC1)CC[C@H]1CCOC1 ZINC000343627881 353948263 /nfs/dbraw/zinc/94/82/63/353948263.db2.gz VRKUXSWICMGYET-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO CN(C)CCN(C)CCC[N@H+](C)CCCF ZINC000344046920 354111438 /nfs/dbraw/zinc/11/14/38/354111438.db2.gz YAJZMTRUBDVKCQ-UHFFFAOYSA-N 1 3 233.375 1.161 20 0 BDADHO CN(C)CCN(C)CCC[N@@H+](C)CCCF ZINC000344046920 354111441 /nfs/dbraw/zinc/11/14/41/354111441.db2.gz YAJZMTRUBDVKCQ-UHFFFAOYSA-N 1 3 233.375 1.161 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639170740 354124755 /nfs/dbraw/zinc/12/47/55/354124755.db2.gz WVGKUPNRZKHYHN-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](NCC2=CCCOC2)[C@@H](C)C1 ZINC000344511176 354291588 /nfs/dbraw/zinc/29/15/88/354291588.db2.gz IINBRCMIBPJHGX-JSGCOSHPSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@H](NCC2=CCCOC2)[C@@H](C)C1 ZINC000344511176 354291590 /nfs/dbraw/zinc/29/15/90/354291590.db2.gz IINBRCMIBPJHGX-JSGCOSHPSA-N 1 3 238.375 1.653 20 0 BDADHO CCC[C@H](CN1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000639204288 354616123 /nfs/dbraw/zinc/61/61/23/354616123.db2.gz QIDBTGDHDJLBFW-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[C@H](CN1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000639204288 354616124 /nfs/dbraw/zinc/61/61/24/354616124.db2.gz QIDBTGDHDJLBFW-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H](CO)N(C)CC[C@@H]1CCC[N@@H+]1C ZINC000345877749 354793970 /nfs/dbraw/zinc/79/39/70/354793970.db2.gz CLHHKVVWQBJSEA-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](CO)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000345877749 354793972 /nfs/dbraw/zinc/79/39/72/354793972.db2.gz CLHHKVVWQBJSEA-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](CCNC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000345998399 354836133 /nfs/dbraw/zinc/83/61/33/354836133.db2.gz WHSBGUWMVOEFOF-VHDGCEQUSA-N 1 3 248.370 1.350 20 0 BDADHO CCOCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000233723225 363406260 /nfs/dbraw/zinc/40/62/60/363406260.db2.gz GWGRDNUMKHKWKR-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO CCOCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000233723225 363406262 /nfs/dbraw/zinc/40/62/62/363406262.db2.gz GWGRDNUMKHKWKR-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000639233926 355216540 /nfs/dbraw/zinc/21/65/40/355216540.db2.gz YYFYXFAXAUQNSB-WOPDTQHZSA-N 1 3 213.369 1.009 20 0 BDADHO Cc1c[nH]nc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335254989 355184601 /nfs/dbraw/zinc/18/46/01/355184601.db2.gz CHFAMJCFQCLBPX-TXEJJXNPSA-N 1 3 234.347 1.150 20 0 BDADHO CC[C@H](CN1CC[C@H](C[N@H+](C)CC)C1)OC ZINC000412975240 191345766 /nfs/dbraw/zinc/34/57/66/191345766.db2.gz DUBJIQYLQNRGMA-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](CN1CC[C@H](C[N@@H+](C)CC)C1)OC ZINC000412975240 191345767 /nfs/dbraw/zinc/34/57/67/191345767.db2.gz DUBJIQYLQNRGMA-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000412975240 191345769 /nfs/dbraw/zinc/34/57/69/191345769.db2.gz DUBJIQYLQNRGMA-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@H](CN(C)CC)C1)OC ZINC000412975240 191345771 /nfs/dbraw/zinc/34/57/71/191345771.db2.gz DUBJIQYLQNRGMA-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)OC ZINC000412979008 191348840 /nfs/dbraw/zinc/34/88/40/191348840.db2.gz RQWOEEVTSFSGCO-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)OC ZINC000412979008 191348843 /nfs/dbraw/zinc/34/88/43/191348843.db2.gz RQWOEEVTSFSGCO-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)OCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000113515177 355252071 /nfs/dbraw/zinc/25/20/71/355252071.db2.gz ILYXGCCQUYNCHT-CYBMUJFWSA-N 1 3 228.380 1.685 20 0 BDADHO CO[C@@H](C)CNC1CC[NH+](C(C)C)CC1 ZINC000191199162 355344168 /nfs/dbraw/zinc/34/41/68/355344168.db2.gz SXZLXRFLEWVKMH-NSHDSACASA-N 1 3 214.353 1.484 20 0 BDADHO CCC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414712358 191553904 /nfs/dbraw/zinc/55/39/04/191553904.db2.gz UAPCHJANKZFCBX-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+]C[C@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000335856011 355600374 /nfs/dbraw/zinc/60/03/74/355600374.db2.gz SWWJOLMDOCIVJF-SNVBAGLBSA-N 1 3 230.315 1.344 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000583558633 355608822 /nfs/dbraw/zinc/60/88/22/355608822.db2.gz AQAGDTKHPVHJAV-OLZOCXBDSA-N 1 3 239.407 1.589 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000583558632 355609189 /nfs/dbraw/zinc/60/91/89/355609189.db2.gz AQAGDTKHPVHJAV-CHWSQXEVSA-N 1 3 239.407 1.589 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+]C[C@@H](N)CC(C)C ZINC000415082014 191674250 /nfs/dbraw/zinc/67/42/50/191674250.db2.gz NQMBSOUVPKFAGY-UONOGXRCSA-N 1 3 241.423 1.824 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(CCOCC3CC3)C[C@H]12 ZINC000351492432 356001967 /nfs/dbraw/zinc/00/19/67/356001967.db2.gz KWFQWFHURRJLNI-RWMBFGLXSA-N 1 3 224.348 1.082 20 0 BDADHO CCOC(=O)CCCCN(C)C1CC[NH2+]CC1 ZINC000420264559 192191101 /nfs/dbraw/zinc/19/11/01/192191101.db2.gz ANHLNQGYRDCSER-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO COC(=O)CC1(C[N@H+](C)CC(C)(C)CN)CC1 ZINC000420296608 192205943 /nfs/dbraw/zinc/20/59/43/192205943.db2.gz XGDNJJLXYRFFOC-UHFFFAOYSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CC1(C[N@@H+](C)CC(C)(C)CN)CC1 ZINC000420296608 192205944 /nfs/dbraw/zinc/20/59/44/192205944.db2.gz XGDNJJLXYRFFOC-UHFFFAOYSA-N 1 3 242.363 1.246 20 0 BDADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)N(C)C ZINC000617751856 356310699 /nfs/dbraw/zinc/31/06/99/356310699.db2.gz DUUAEDGREWYYMD-VXGBXAGGSA-N 1 3 243.395 1.029 20 0 BDADHO CCOC(=O)CCCCN(C)CC(C)(C)C[NH3+] ZINC000420290207 192201450 /nfs/dbraw/zinc/20/14/50/192201450.db2.gz LOEKXSZWWOVHAK-UHFFFAOYSA-N 1 3 244.379 1.637 20 0 BDADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@@H](O)CN)c1 ZINC000420349923 192217852 /nfs/dbraw/zinc/21/78/52/192217852.db2.gz FEHLVHAMMIYQDV-YPMHNXCESA-N 1 3 222.332 1.307 20 0 BDADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H](O)CN)c1 ZINC000420349923 192217855 /nfs/dbraw/zinc/21/78/55/192217855.db2.gz FEHLVHAMMIYQDV-YPMHNXCESA-N 1 3 222.332 1.307 20 0 BDADHO CC(C)(C)[C@@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000420304952 192209441 /nfs/dbraw/zinc/20/94/41/192209441.db2.gz PABNHTZYMSMCKE-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)(C)[C@@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000420304952 192209442 /nfs/dbraw/zinc/20/94/42/192209442.db2.gz PABNHTZYMSMCKE-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO Nc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000420316407 192212810 /nfs/dbraw/zinc/21/28/10/192212810.db2.gz YCLQABWQWADEHZ-RWMBFGLXSA-N 1 3 246.358 1.053 20 0 BDADHO CC(C)OCCN[C@H](C[NH3+])C(C)(C)C ZINC000420372530 192230449 /nfs/dbraw/zinc/23/04/49/192230449.db2.gz YCKDKWCPEJYDNI-SNVBAGLBSA-N 1 3 202.342 1.374 20 0 BDADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)CN ZINC000420359375 192222347 /nfs/dbraw/zinc/22/23/47/192222347.db2.gz VUNPQNIZZWRGDX-CHWSQXEVSA-N 1 3 240.322 1.528 20 0 BDADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)CN ZINC000420359375 192222351 /nfs/dbraw/zinc/22/23/51/192222351.db2.gz VUNPQNIZZWRGDX-CHWSQXEVSA-N 1 3 240.322 1.528 20 0 BDADHO CCN1C[C@H](C)N(CCC[NH2+]C)C[C@@H]1C ZINC000420365692 192223206 /nfs/dbraw/zinc/22/32/06/192223206.db2.gz SOXMXINFNNPTTE-RYUDHWBXSA-N 1 3 213.369 1.010 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC[C@@H]1CCCO1 ZINC000420363806 192224096 /nfs/dbraw/zinc/22/40/96/192224096.db2.gz JURQPVFSVKDNII-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO CCC[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000420364346 192224278 /nfs/dbraw/zinc/22/42/78/192224278.db2.gz QOKGUGJDFHQEFP-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CCOCCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420384460 192234619 /nfs/dbraw/zinc/23/46/19/192234619.db2.gz DVNNHRKKXKFPDO-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCOCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420381874 192235421 /nfs/dbraw/zinc/23/54/21/192235421.db2.gz CUMLKTUQZWFRLT-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)OCCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420396982 192236932 /nfs/dbraw/zinc/23/69/32/192236932.db2.gz FPLZBMVWRNTCCW-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000420396982 192236936 /nfs/dbraw/zinc/23/69/36/192236936.db2.gz FPLZBMVWRNTCCW-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000420396982 192236938 /nfs/dbraw/zinc/23/69/38/192236938.db2.gz FPLZBMVWRNTCCW-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420404457 192238166 /nfs/dbraw/zinc/23/81/66/192238166.db2.gz SFFRMXBPRWNUMN-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](NCC[NH3+])C(C)(C)c1ccccc1 ZINC000420399396 192238299 /nfs/dbraw/zinc/23/82/99/192238299.db2.gz HPISXMKSLPSDHP-LLVKDONJSA-N 1 3 206.333 1.901 20 0 BDADHO C[NH2+]CCCN[C@H]1CCCO[C@@H]1CC(C)C ZINC000420409685 192239007 /nfs/dbraw/zinc/23/90/07/192239007.db2.gz QNRLWGWNWFWWCV-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO CNCCC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000420409685 192239008 /nfs/dbraw/zinc/23/90/08/192239008.db2.gz QNRLWGWNWFWWCV-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO COCCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407806 192239513 /nfs/dbraw/zinc/23/95/13/192239513.db2.gz VMBOFTCCXKINIX-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](N)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000420412068 192239987 /nfs/dbraw/zinc/23/99/87/192239987.db2.gz SAMALEPZILWFLF-IACUBPJLSA-N 1 3 234.343 1.701 20 0 BDADHO C[NH2+]CCCN1CCNC[C@@H]1c1ccccc1 ZINC000420414592 192240166 /nfs/dbraw/zinc/24/01/66/192240166.db2.gz UMFGOBSHFCADIE-CQSZACIVSA-N 1 3 233.359 1.242 20 0 BDADHO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCCN ZINC000420414068 192240547 /nfs/dbraw/zinc/24/05/47/192240547.db2.gz UGBSTMRXPVBDGZ-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)C[C@H]1OCCC[C@H]1NCCC[NH3+] ZINC000420414068 192240549 /nfs/dbraw/zinc/24/05/49/192240549.db2.gz UGBSTMRXPVBDGZ-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@@H](C)N(CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377073 192231467 /nfs/dbraw/zinc/23/14/67/192231467.db2.gz RNYCDYNOYVAPPM-NEPJUHHUSA-N 1 3 242.363 1.260 20 0 BDADHO CCOCCCN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420376575 192231871 /nfs/dbraw/zinc/23/18/71/192231871.db2.gz VFIPFWLZOBPTQA-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)OCCCN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420380668 192233330 /nfs/dbraw/zinc/23/33/30/192233330.db2.gz YNECDMJKUGVTSC-YNEHKIRRSA-N 1 3 228.380 1.778 20 0 BDADHO CCN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C)O ZINC000352210253 134107715 /nfs/dbraw/zinc/10/77/15/134107715.db2.gz FPNDAGPFIBDMBS-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](C)O ZINC000352210253 134107716 /nfs/dbraw/zinc/10/77/16/134107716.db2.gz FPNDAGPFIBDMBS-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1C ZINC000389634209 356496697 /nfs/dbraw/zinc/49/66/97/356496697.db2.gz NKNUBGPDGPYPOZ-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1C ZINC000389634209 356496702 /nfs/dbraw/zinc/49/67/02/356496702.db2.gz NKNUBGPDGPYPOZ-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H]1C[C@H](CO)CN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000420944516 192276869 /nfs/dbraw/zinc/27/68/69/192276869.db2.gz QZVRTGICOVJISM-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1C[C@H](CO)CN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000420944516 192276871 /nfs/dbraw/zinc/27/68/71/192276871.db2.gz QZVRTGICOVJISM-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197904 134127179 /nfs/dbraw/zinc/12/71/79/134127179.db2.gz RFNXHASTPNTHEE-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000336197904 134127180 /nfs/dbraw/zinc/12/71/80/134127180.db2.gz RFNXHASTPNTHEE-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000336197905 134127660 /nfs/dbraw/zinc/12/76/60/134127660.db2.gz RFNXHASTPNTHEE-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000336197905 134127661 /nfs/dbraw/zinc/12/76/61/134127661.db2.gz RFNXHASTPNTHEE-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO COCCC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423035714 192548029 /nfs/dbraw/zinc/54/80/29/192548029.db2.gz JUCXMFGUCLWSEJ-FUNVUKJBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@@H](CO)c1ccsc1 ZINC000423049338 192551784 /nfs/dbraw/zinc/55/17/84/192551784.db2.gz JPLZYNZXBLYZEP-JQWIXIFHSA-N 1 3 242.388 1.889 20 0 BDADHO C[C@H](c1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287719 356656929 /nfs/dbraw/zinc/65/69/29/356656929.db2.gz IKADZZUFCZJQOE-MRVWCRGKSA-N 1 3 216.328 1.899 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000167627303 134153331 /nfs/dbraw/zinc/15/33/31/134153331.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000167627303 134153332 /nfs/dbraw/zinc/15/33/32/134153332.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167627303 134153333 /nfs/dbraw/zinc/15/33/33/134153333.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167627303 134153334 /nfs/dbraw/zinc/15/33/34/134153334.db2.gz MQCHQAIYIHSWMU-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000167641061 134153377 /nfs/dbraw/zinc/15/33/77/134153377.db2.gz LLWSBTZKBUWYNG-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCOC(F)F ZINC000423116746 192574365 /nfs/dbraw/zinc/57/43/65/192574365.db2.gz RKGNTIDYANVYNA-VHSXEESVSA-N 1 3 236.306 1.593 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000168173405 134156356 /nfs/dbraw/zinc/15/63/56/134156356.db2.gz YLOIYLKVEODUIB-WISYIIOYSA-N 1 3 226.364 1.253 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000168173405 134156357 /nfs/dbraw/zinc/15/63/57/134156357.db2.gz YLOIYLKVEODUIB-WISYIIOYSA-N 1 3 226.364 1.253 20 0 BDADHO Cc1cnc([C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000578193798 366379490 /nfs/dbraw/zinc/37/94/90/366379490.db2.gz WJKQUGUPFKRGQF-UPJWGTAASA-N 1 3 249.358 1.975 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623383932 356909220 /nfs/dbraw/zinc/90/92/20/356909220.db2.gz HYLHPHOZXPEHSN-CHWSQXEVSA-N 1 3 241.423 1.789 20 0 BDADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)ccn1 ZINC000391161623 357124348 /nfs/dbraw/zinc/12/43/48/357124348.db2.gz NMDKRNZWYZHGJO-AWEZNQCLSA-N 1 3 233.359 1.821 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2nccs2)C1 ZINC000391185253 357125234 /nfs/dbraw/zinc/12/52/34/357125234.db2.gz VWDWVHPODIWASR-MNOVXSKESA-N 1 3 239.388 1.935 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCCc2nccs2)C1 ZINC000391185253 357125237 /nfs/dbraw/zinc/12/52/37/357125237.db2.gz VWDWVHPODIWASR-MNOVXSKESA-N 1 3 239.388 1.935 20 0 BDADHO CN1CCCC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000628425600 357252142 /nfs/dbraw/zinc/25/21/42/357252142.db2.gz PWYMOGDTZQRBQG-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425446 357252769 /nfs/dbraw/zinc/25/27/69/357252769.db2.gz LIKXJDGTMGZRIH-AGIUHOORSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000394034329 357316257 /nfs/dbraw/zinc/31/62/57/357316257.db2.gz FTOHIZXBCRVECE-SRVKXCTJSA-N 1 3 214.353 1.110 20 0 BDADHO COC[C@H](C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397313915 357511782 /nfs/dbraw/zinc/51/17/82/357511782.db2.gz PXOQJIWPRWXAPD-VOAKCMCISA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397313915 357511785 /nfs/dbraw/zinc/51/17/85/357511785.db2.gz PXOQJIWPRWXAPD-VOAKCMCISA-N 1 3 228.380 1.574 20 0 BDADHO C[C@H](CN[C@H]1COC(C)(C)C1)C[NH+](C)C ZINC000396829677 357484752 /nfs/dbraw/zinc/48/47/52/357484752.db2.gz PJAYRMXNMVXKJD-GHMZBOCLSA-N 1 3 214.353 1.341 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCSCCCO ZINC000230785096 357565164 /nfs/dbraw/zinc/56/51/64/357565164.db2.gz HTACQTAEHOLOJE-VXGBXAGGSA-N 1 3 246.420 1.209 20 0 BDADHO N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000160710279 538889219 /nfs/dbraw/zinc/88/92/19/538889219.db2.gz FXTDSKNLTMOBPZ-LLVKDONJSA-N 1 3 218.300 1.591 20 0 BDADHO CCC(=O)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000190245276 357697215 /nfs/dbraw/zinc/69/72/15/357697215.db2.gz KEZOTBZVQIVIKN-CYBMUJFWSA-N 1 3 238.375 1.773 20 0 BDADHO CCC(=O)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000190245276 357697216 /nfs/dbraw/zinc/69/72/16/357697216.db2.gz KEZOTBZVQIVIKN-CYBMUJFWSA-N 1 3 238.375 1.773 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)C[NH2+]C)C1(C)C ZINC000233745483 357742591 /nfs/dbraw/zinc/74/25/91/357742591.db2.gz YFAOGKGCBDREHY-QJPTWQEYSA-N 1 3 228.380 1.635 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCCO ZINC000235123606 357846429 /nfs/dbraw/zinc/84/64/29/357846429.db2.gz NSTOFDFKBGPDAZ-QWHCGFSZSA-N 1 3 228.380 1.659 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000381657749 357925476 /nfs/dbraw/zinc/92/54/76/357925476.db2.gz DBWYAQWWGZJMIG-GRYCIOLGSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1ccoc1 ZINC000219304407 357995297 /nfs/dbraw/zinc/99/52/97/357995297.db2.gz DWSIICCFVQMWNI-NSHDSACASA-N 1 3 226.320 1.508 20 0 BDADHO OCC1(C[NH2+][C@@H]2CCCNCC2)CCCC1 ZINC000168777640 134247622 /nfs/dbraw/zinc/24/76/22/134247622.db2.gz ACASBOYZGMTQNE-GFCCVEGCSA-N 1 3 226.364 1.271 20 0 BDADHO OCC1(CN[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000168777640 134247623 /nfs/dbraw/zinc/24/76/23/134247623.db2.gz ACASBOYZGMTQNE-GFCCVEGCSA-N 1 3 226.364 1.271 20 0 BDADHO C[C@H](N)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000168742493 134247735 /nfs/dbraw/zinc/24/77/35/134247735.db2.gz OWYPUDMGSIIUPJ-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCCNCC1 ZINC000168712568 134246560 /nfs/dbraw/zinc/24/65/60/134246560.db2.gz BXRICCRHXNSJGH-LBPRGKRZSA-N 1 3 214.353 1.533 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042516 358063978 /nfs/dbraw/zinc/06/39/78/358063978.db2.gz ZOPLTIIHLUUNIA-GFCCVEGCSA-N 1 3 235.331 1.424 20 0 BDADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000169237685 134250271 /nfs/dbraw/zinc/25/02/71/134250271.db2.gz USSFRRDPOWPLCP-ZHAHWJHGSA-N 1 3 206.289 1.102 20 0 BDADHO CC[NH+]1CCC(CNCc2cccnc2)CC1 ZINC000044517396 358388788 /nfs/dbraw/zinc/38/87/88/358388788.db2.gz VRHIWFKWCCDKHT-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO COCCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000044659220 358392531 /nfs/dbraw/zinc/39/25/31/358392531.db2.gz MZWWXDVKJHYOQT-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO OCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173880382 134277845 /nfs/dbraw/zinc/27/78/45/134277845.db2.gz PIEKAYAQKKLBFB-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO OCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000173880382 134277846 /nfs/dbraw/zinc/27/78/46/134277846.db2.gz PIEKAYAQKKLBFB-AWEZNQCLSA-N 1 3 240.391 1.567 20 0 BDADHO COCC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000045037686 358399983 /nfs/dbraw/zinc/39/99/83/358399983.db2.gz BMVLYLSTWRTXSL-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000229349987 358403075 /nfs/dbraw/zinc/40/30/75/358403075.db2.gz ASGIFFBKSUQOAI-IVZWLZJFSA-N 1 3 202.367 1.597 20 0 BDADHO CSC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000229349987 358403077 /nfs/dbraw/zinc/40/30/77/358403077.db2.gz ASGIFFBKSUQOAI-IVZWLZJFSA-N 1 3 202.367 1.597 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124562998 358518337 /nfs/dbraw/zinc/51/83/37/358518337.db2.gz BWPOVNIOGIIFJR-ZDUSSCGKSA-N 1 3 235.375 1.847 20 0 BDADHO C[C@@H]1CCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000219325131 134281424 /nfs/dbraw/zinc/28/14/24/134281424.db2.gz VLCQGQFNKMBRLC-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](CO)C1 ZINC000049774084 358700449 /nfs/dbraw/zinc/70/04/49/358700449.db2.gz LGHIGZXFUQWJOZ-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](CO)C1 ZINC000049774084 358700450 /nfs/dbraw/zinc/70/04/50/358700450.db2.gz LGHIGZXFUQWJOZ-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000049773526 358700543 /nfs/dbraw/zinc/70/05/43/358700543.db2.gz XTWZNTCZGIEMQK-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000049773526 358700545 /nfs/dbraw/zinc/70/05/45/358700545.db2.gz XTWZNTCZGIEMQK-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO CN(CCCF)C[C@@H]1CCC[N@H+](C)C1 ZINC000133426589 358754364 /nfs/dbraw/zinc/75/43/64/358754364.db2.gz JXRLASJSXSUHKE-LLVKDONJSA-N 1 3 202.317 1.620 20 0 BDADHO CN(CCCF)C[C@@H]1CCC[N@@H+](C)C1 ZINC000133426589 358754368 /nfs/dbraw/zinc/75/43/68/358754368.db2.gz JXRLASJSXSUHKE-LLVKDONJSA-N 1 3 202.317 1.620 20 0 BDADHO CC[C@@H](C)C[NH2+]CCCN1CCN(CC)CC1 ZINC000133526801 358757938 /nfs/dbraw/zinc/75/79/38/358757938.db2.gz UNNGZOAEQAEQGI-CQSZACIVSA-N 1 3 241.423 1.650 20 0 BDADHO OC[C@@H](Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000132258823 358713476 /nfs/dbraw/zinc/71/34/76/358713476.db2.gz MSQQIOHRKMWSQL-HUUCEWRRSA-N 1 3 248.370 1.179 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccco2)C1 ZINC000086402772 358967102 /nfs/dbraw/zinc/96/71/02/358967102.db2.gz PFZNHINKZSJQFR-MNOVXSKESA-N 1 3 208.305 1.682 20 0 BDADHO CC(C)CCOCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403847 358968408 /nfs/dbraw/zinc/96/84/08/358968408.db2.gz MDRPNNDBVAJWQO-STQMWFEESA-N 1 3 228.380 1.909 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000069858056 359034968 /nfs/dbraw/zinc/03/49/68/359034968.db2.gz BNQPMUFJMMTNFP-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H](NCCCC[NH+](C)C)c1nccn1C ZINC000070008186 359037634 /nfs/dbraw/zinc/03/76/34/359037634.db2.gz FVIZGLXXNGCODU-NSHDSACASA-N 1 3 224.352 1.413 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246429203 359083133 /nfs/dbraw/zinc/08/31/33/359083133.db2.gz NCJDXNFGOJJOGB-QWHCGFSZSA-N 1 3 228.380 1.589 20 0 BDADHO CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786319 359164022 /nfs/dbraw/zinc/16/40/22/359164022.db2.gz MBTYGOTXDJKUMA-WCQYABFASA-N 1 3 208.349 1.955 20 0 BDADHO CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786319 359164025 /nfs/dbraw/zinc/16/40/25/359164025.db2.gz MBTYGOTXDJKUMA-WCQYABFASA-N 1 3 208.349 1.955 20 0 BDADHO CC(C)OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248182667 359258877 /nfs/dbraw/zinc/25/88/77/359258877.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248182667 359258882 /nfs/dbraw/zinc/25/88/82/359258882.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248182667 359258883 /nfs/dbraw/zinc/25/88/83/359258883.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248182667 359258887 /nfs/dbraw/zinc/25/88/87/359258887.db2.gz WRYCUMFPGAYTPL-UONOGXRCSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475392 192786170 /nfs/dbraw/zinc/78/61/70/192786170.db2.gz HWJPTOUECIOJGG-GARJFASQSA-N 1 3 247.333 1.104 20 0 BDADHO CN(CCCF)CC[N@H+](C)C1CCN(C)CC1 ZINC000180959066 366561927 /nfs/dbraw/zinc/56/19/27/366561927.db2.gz SNSPURTUJVPTJH-UHFFFAOYSA-N 1 3 245.386 1.304 20 0 BDADHO CN(CCCF)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180959066 366561933 /nfs/dbraw/zinc/56/19/33/366561933.db2.gz SNSPURTUJVPTJH-UHFFFAOYSA-N 1 3 245.386 1.304 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@H](OC)C12CCC2 ZINC000578433829 366566376 /nfs/dbraw/zinc/56/63/76/366566376.db2.gz JJPAHQZOJHAWCE-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@@H]2CCOC2)CC1(C)C ZINC000623471310 359857656 /nfs/dbraw/zinc/85/76/56/359857656.db2.gz WTUPVUVOOVQWMB-GHMZBOCLSA-N 1 3 212.337 1.238 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@@H]2CCOC2)CC1(C)C ZINC000623471310 359857661 /nfs/dbraw/zinc/85/76/61/359857661.db2.gz WTUPVUVOOVQWMB-GHMZBOCLSA-N 1 3 212.337 1.238 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCOC1(C)C ZINC000451241291 202384174 /nfs/dbraw/zinc/38/41/74/202384174.db2.gz JBJGNFQEGNVXBU-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCOC1(C)C ZINC000451241291 202384177 /nfs/dbraw/zinc/38/41/77/202384177.db2.gz JBJGNFQEGNVXBU-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCOC1(C)C ZINC000451241291 202384181 /nfs/dbraw/zinc/38/41/81/202384181.db2.gz JBJGNFQEGNVXBU-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO CCCCN1CCC([NH2+]C2CSC2)CC1 ZINC000309221096 491146295 /nfs/dbraw/zinc/14/62/95/491146295.db2.gz VFTIOFFUNAFXRZ-UHFFFAOYSA-N 1 3 228.405 1.956 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000089150308 359993789 /nfs/dbraw/zinc/99/37/89/359993789.db2.gz WCEURTJMGPDKDK-JSGCOSHPSA-N 1 3 234.343 1.652 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392072 360114045 /nfs/dbraw/zinc/11/40/45/360114045.db2.gz FIANRIORAXJUIG-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(C)COC1 ZINC000094721565 360316321 /nfs/dbraw/zinc/31/63/21/360316321.db2.gz LPXIOVKUOGVBRA-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO COC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000309637897 491153379 /nfs/dbraw/zinc/15/33/79/491153379.db2.gz JXEZGKXPLVODAA-RYUDHWBXSA-N 1 3 224.348 1.097 20 0 BDADHO CCc1ccc(C[NH2+]CC2(N)CCOCC2)cc1 ZINC000629388492 361041408 /nfs/dbraw/zinc/04/14/08/361041408.db2.gz SDGMSKCDICPVJE-UHFFFAOYSA-N 1 3 248.370 1.847 20 0 BDADHO Cc1ccccc1CNCCOCCC[NH3+] ZINC000629397656 361047920 /nfs/dbraw/zinc/04/79/20/361047920.db2.gz AVLGVUURMBZXJI-UHFFFAOYSA-N 1 3 222.332 1.450 20 0 BDADHO Cc1ccsc1CNCCOCCC[NH3+] ZINC000629398478 361049299 /nfs/dbraw/zinc/04/92/99/361049299.db2.gz UGYMHKONZVFNMR-UHFFFAOYSA-N 1 3 228.361 1.512 20 0 BDADHO Cc1cccc(CNCCOCCC[NH3+])c1C ZINC000629398349 361049530 /nfs/dbraw/zinc/04/95/30/361049530.db2.gz RJKAZRGCDWRGBL-UHFFFAOYSA-N 1 3 236.359 1.758 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCCOC1 ZINC000629510946 361109772 /nfs/dbraw/zinc/10/97/72/361109772.db2.gz YNMDZZZTYLGKDK-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO CCO[C@H](CN1CCC[C@@H](C)[C@H]1C[NH3+])C1CC1 ZINC000629515067 361113054 /nfs/dbraw/zinc/11/30/54/361113054.db2.gz QKDRQETZUXQDMU-MRVWCRGKSA-N 1 3 240.391 1.861 20 0 BDADHO CCO[C@H](CN1CCC[C@H](C)[C@H]1C[NH3+])C1CC1 ZINC000629515065 361113150 /nfs/dbraw/zinc/11/31/50/361113150.db2.gz QKDRQETZUXQDMU-IACUBPJLSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@@H]1Cc2ccccc2CO1 ZINC000629515153 361113212 /nfs/dbraw/zinc/11/32/12/361113212.db2.gz ZFLWECABEGSULO-JMSVASOKSA-N 1 3 248.370 1.843 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCN1CC(F)F ZINC000629517916 361114031 /nfs/dbraw/zinc/11/40/31/361114031.db2.gz AAHHMCMZUNVCHH-DCAQKATOSA-N 1 3 249.349 1.431 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000629517916 361114032 /nfs/dbraw/zinc/11/40/32/361114032.db2.gz AAHHMCMZUNVCHH-DCAQKATOSA-N 1 3 249.349 1.431 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H]1CCNC12CCC2 ZINC000629516611 361115291 /nfs/dbraw/zinc/11/52/91/361115291.db2.gz LRKYDICIHOZKIR-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO CCO[C@H](CN1CC[C@@H]([NH3+])[C@@H](CC)C1)C1CC1 ZINC000629528445 361136666 /nfs/dbraw/zinc/13/66/66/361136666.db2.gz ZIGPMZLXGJAMBN-IACUBPJLSA-N 1 3 240.391 1.861 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccc(C)o1 ZINC000629528603 361136799 /nfs/dbraw/zinc/13/67/99/361136799.db2.gz DRWKFCSNUQCWGH-NSHDSACASA-N 1 3 226.320 1.475 20 0 BDADHO CCO[C@H](CN1CC[C@@H]([NH3+])[C@H](CC)C1)C1CC1 ZINC000629528447 361137242 /nfs/dbraw/zinc/13/72/42/361137242.db2.gz ZIGPMZLXGJAMBN-MRVWCRGKSA-N 1 3 240.391 1.861 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)c2ccccc2)C1 ZINC000579140599 366723685 /nfs/dbraw/zinc/72/36/85/366723685.db2.gz JSQBLNDEHCLQQS-KFWWJZLASA-N 1 3 248.370 1.622 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)c2ccccc2)C1 ZINC000579140599 366723688 /nfs/dbraw/zinc/72/36/88/366723688.db2.gz JSQBLNDEHCLQQS-KFWWJZLASA-N 1 3 248.370 1.622 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CC1(F)F ZINC000622044038 370675789 /nfs/dbraw/zinc/67/57/89/370675789.db2.gz SEMBPWLOZQAZTG-DJLDLDEBSA-N 1 3 206.280 1.747 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428488168 201023796 /nfs/dbraw/zinc/02/37/96/201023796.db2.gz YZRCUVPLCXPJRV-GHMZBOCLSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@H]([NH2+]CC[C@H](C)N)[C@H]1CCOC1 ZINC000622045339 370679575 /nfs/dbraw/zinc/67/95/75/370679575.db2.gz OAPWUWNMDFTJSG-DCAQKATOSA-N 1 3 200.326 1.128 20 0 BDADHO CCCN(C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000429107856 201067792 /nfs/dbraw/zinc/06/77/92/201067792.db2.gz RTAOGYBIOFWPFD-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO CC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)N(CC)CC ZINC000429166722 201075721 /nfs/dbraw/zinc/07/57/21/201075721.db2.gz WZYSQKRIGFEYNR-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1(CO)CCC1 ZINC000429233534 201080028 /nfs/dbraw/zinc/08/00/28/201080028.db2.gz MLRGLOMPZNIYBR-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000429233534 201080031 /nfs/dbraw/zinc/08/00/31/201080031.db2.gz MLRGLOMPZNIYBR-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO CN(CCC[NH+]1CCCCC1)C1(CO)CCC1 ZINC000429232289 201081142 /nfs/dbraw/zinc/08/11/42/201081142.db2.gz AWIVBTJKAZQFQS-UHFFFAOYSA-N 1 3 240.391 1.709 20 0 BDADHO CCC[C@H](C)CCC[N@H+](C)C[C@H](O)CN ZINC000629539180 361405042 /nfs/dbraw/zinc/40/50/42/361405042.db2.gz VPESFBSPBNNEGB-NWDGAFQWSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@H](C)CCC[N@@H+](C)C[C@H](O)CN ZINC000629539180 361405047 /nfs/dbraw/zinc/40/50/47/361405047.db2.gz VPESFBSPBNNEGB-NWDGAFQWSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@H](C)CCCN(C)C[C@H](O)C[NH3+] ZINC000629539180 361405051 /nfs/dbraw/zinc/40/50/51/361405051.db2.gz VPESFBSPBNNEGB-NWDGAFQWSA-N 1 3 216.369 1.454 20 0 BDADHO C[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1CCCCN1 ZINC000629545825 361426824 /nfs/dbraw/zinc/42/68/24/361426824.db2.gz CTINFGMDYXOXRH-DOERSZECSA-N 1 3 238.375 1.674 20 0 BDADHO CN1CCC[C@H]1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000629548111 361432743 /nfs/dbraw/zinc/43/27/43/361432743.db2.gz CXBHBOLGZQBFBY-AVGNSLFASA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN(C)CC(F)F ZINC000629554696 361435856 /nfs/dbraw/zinc/43/58/56/361435856.db2.gz NQBRBZNQWWWJBE-QWRGUYRKSA-N 1 3 249.349 1.161 20 0 BDADHO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000629553217 361437389 /nfs/dbraw/zinc/43/73/89/361437389.db2.gz OVPFNSUURLNVGT-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)C1CNC1 ZINC000629554414 361439921 /nfs/dbraw/zinc/43/99/21/361439921.db2.gz IENGDTLYYZPPGT-PWSUYJOCSA-N 1 3 208.349 1.764 20 0 BDADHO CCc1ccc([C@@H](C)NCCOCCC[NH3+])o1 ZINC000629542188 361418450 /nfs/dbraw/zinc/41/84/50/361418450.db2.gz WMHJOFMJHSGIOK-LLVKDONJSA-N 1 3 240.347 1.858 20 0 BDADHO FCC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580705 361469884 /nfs/dbraw/zinc/46/98/84/361469884.db2.gz FACFRZGVFOCJMN-NWDGAFQWSA-N 1 3 230.327 1.046 20 0 BDADHO CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccccc1)N(C)C ZINC000629615566 361504982 /nfs/dbraw/zinc/50/49/82/361504982.db2.gz VEILJXIFVJNNID-CHWSQXEVSA-N 1 3 249.358 1.143 20 0 BDADHO CCN1CC[C@H]([NH2+]CCCN(C)C)[C@H](C)C1 ZINC000151921992 201187811 /nfs/dbraw/zinc/18/78/11/201187811.db2.gz WHINNSFCBLSKAR-OLZOCXBDSA-N 1 3 227.396 1.258 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccn(C)c1 ZINC000629646812 361535648 /nfs/dbraw/zinc/53/56/48/361535648.db2.gz FKIVJTRKMXXCJF-CMPLNLGQSA-N 1 3 207.321 1.194 20 0 BDADHO CC[C@@H]1CN(CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000629651957 361558477 /nfs/dbraw/zinc/55/84/77/361558477.db2.gz QREZDUXQSGYBRE-CHWSQXEVSA-N 1 3 224.348 1.392 20 0 BDADHO C1=C(CN2CCC3(CC[NH2+]C3)CC2)COCC1 ZINC000629654521 361558536 /nfs/dbraw/zinc/55/85/36/361558536.db2.gz QJYCJMAXTOEHGT-UHFFFAOYSA-N 1 3 236.359 1.409 20 0 BDADHO CC[C@H]1CN(CC2=CCCOC2)CC[C@@H]1[NH3+] ZINC000629651960 361559187 /nfs/dbraw/zinc/55/91/87/361559187.db2.gz QREZDUXQSGYBRE-STQMWFEESA-N 1 3 224.348 1.392 20 0 BDADHO C[C@@H]1C[C@H](C)N(Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648049 361538916 /nfs/dbraw/zinc/53/89/16/361538916.db2.gz FUJGJEJVFDBJBB-MBNYWOFBSA-N 1 3 235.375 1.830 20 0 BDADHO [NH3+]C[C@H](NCC1=CCCOC1)C1CCCCC1 ZINC000629647952 361539174 /nfs/dbraw/zinc/53/91/74/361539174.db2.gz LQLMUGVBICHDCO-AWEZNQCLSA-N 1 3 238.375 1.830 20 0 BDADHO [NH3+]C[C@@H](NCC1=CCCOC1)C1CCCCC1 ZINC000629647953 361539256 /nfs/dbraw/zinc/53/92/56/361539256.db2.gz LQLMUGVBICHDCO-CQSZACIVSA-N 1 3 238.375 1.830 20 0 BDADHO COC1(CNCC2([NH3+])CCCC2)CCCC1 ZINC000629649908 361546777 /nfs/dbraw/zinc/54/67/77/361546777.db2.gz KPUFJRMTOAILBY-UHFFFAOYSA-N 1 3 226.364 1.807 20 0 BDADHO COC1(C[N@H+](C)C2CCNCC2)CCCC1 ZINC000629651190 361555970 /nfs/dbraw/zinc/55/59/70/361555970.db2.gz BYOCBAWHGPISEC-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO COC1(C[N@@H+](C)C2CCNCC2)CCCC1 ZINC000629651190 361555972 /nfs/dbraw/zinc/55/59/72/361555972.db2.gz BYOCBAWHGPISEC-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO COC1(CN(C)C2CC[NH2+]CC2)CCCC1 ZINC000629651190 361555973 /nfs/dbraw/zinc/55/59/73/361555973.db2.gz BYOCBAWHGPISEC-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@@H]1[C@H](O)CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000448549108 201215358 /nfs/dbraw/zinc/21/53/58/201215358.db2.gz XABXSVSPFBUMQA-FRRDWIJNSA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H]1[C@H](O)CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000448549108 201215360 /nfs/dbraw/zinc/21/53/60/201215360.db2.gz XABXSVSPFBUMQA-FRRDWIJNSA-N 1 3 226.364 1.316 20 0 BDADHO [NH3+]C1CCC(NCc2ccccn2)CC1 ZINC000051693371 181341207 /nfs/dbraw/zinc/34/12/07/181341207.db2.gz REYVYFAQYPZIPF-UHFFFAOYSA-N 1 3 205.305 1.441 20 0 BDADHO CC(C)N1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000154638117 201288036 /nfs/dbraw/zinc/28/80/36/201288036.db2.gz UQWSTMVPAXWPOP-CQSZACIVSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000155735844 201349282 /nfs/dbraw/zinc/34/92/82/201349282.db2.gz KHIMKAGBPJIWIM-QWHCGFSZSA-N 1 3 227.396 1.399 20 0 BDADHO CCCN(CCN(C)C)C(=O)CC1([NH3+])CCC1 ZINC000094295269 487527916 /nfs/dbraw/zinc/52/79/16/487527916.db2.gz XCBSAEONEQOJAF-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO [NH3+]CCCN(Cc1ccccc1)C1CC1 ZINC000036883465 181379405 /nfs/dbraw/zinc/37/94/05/181379405.db2.gz YQUAVKNRIYOMAD-UHFFFAOYSA-N 1 3 204.317 2.000 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC(C)(C)C[C@@H]1C ZINC000574050128 364976847 /nfs/dbraw/zinc/97/68/47/364976847.db2.gz BVFOWPJFJQVCRD-NWDGAFQWSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)C[C@@H]1C ZINC000574050128 364976854 /nfs/dbraw/zinc/97/68/54/364976854.db2.gz BVFOWPJFJQVCRD-NWDGAFQWSA-N 1 3 228.380 1.419 20 0 BDADHO [NH3+]CCCN[C@@H]1CCc2ccc(F)cc21 ZINC000336663686 181383782 /nfs/dbraw/zinc/38/37/82/181383782.db2.gz KXRKHJJXKZXGPO-GFCCVEGCSA-N 1 3 208.280 1.751 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000574822631 365153926 /nfs/dbraw/zinc/15/39/26/365153926.db2.gz MOKKYJXCCJBTQT-GXTWGEPZSA-N 1 3 233.359 1.792 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1ccsc1 ZINC000575774521 365361135 /nfs/dbraw/zinc/36/11/35/365361135.db2.gz RJAJQEIEAAGYHO-SNVBAGLBSA-N 1 3 212.362 1.878 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000381621819 367440209 /nfs/dbraw/zinc/44/02/09/367440209.db2.gz AIGYYHWMVNLGCD-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248439 367609535 /nfs/dbraw/zinc/60/95/35/367609535.db2.gz WBMOZCKPTUJRBD-VHSXEESVSA-N 1 3 218.291 1.749 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(O)c1 ZINC000383635166 367646673 /nfs/dbraw/zinc/64/66/73/367646673.db2.gz AIQHEYSUTMGFEA-OCCSQVGLSA-N 1 3 234.343 1.999 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000581613086 367634320 /nfs/dbraw/zinc/63/43/20/367634320.db2.gz QZUZEFKHISEELV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000581613086 367634324 /nfs/dbraw/zinc/63/43/24/367634324.db2.gz QZUZEFKHISEELV-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCOC1 ZINC000399161070 367707993 /nfs/dbraw/zinc/70/79/93/367707993.db2.gz CNOVILWUPCUPKS-KKOKHZNYSA-N 1 3 212.337 1.142 20 0 BDADHO Cc1cnccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000385027912 367774339 /nfs/dbraw/zinc/77/43/39/367774339.db2.gz JSUVIYMKACWBCN-SOUVJXGZSA-N 1 3 245.370 1.949 20 0 BDADHO C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CCCCN1 ZINC000386076608 367909696 /nfs/dbraw/zinc/90/96/96/367909696.db2.gz GDMISNRRMKKZIR-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)(CO)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000385953194 367889831 /nfs/dbraw/zinc/88/98/31/367889831.db2.gz XVBQOVYPHYGQEP-VXGBXAGGSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H](NCCN1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386046895 367903659 /nfs/dbraw/zinc/90/36/59/367903659.db2.gz UNXRGQFXXIXMHC-KGLIPLIRSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@H]([NH2+]CCOCC(F)F)[C@@H]1CCCCN1 ZINC000386586035 367996780 /nfs/dbraw/zinc/99/67/80/367996780.db2.gz PZCMJGMEUQLDAQ-UWVGGRQHSA-N 1 3 236.306 1.388 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCCCO2)C1 ZINC000252789156 368063506 /nfs/dbraw/zinc/06/35/06/368063506.db2.gz RKIAOQOSBHUMED-SDDRHHMPSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCCN1 ZINC000402138843 369380341 /nfs/dbraw/zinc/38/03/41/369380341.db2.gz LITXSXRJVJBONK-WISYIIOYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000251099591 369666831 /nfs/dbraw/zinc/66/68/31/369666831.db2.gz MMJPWRUCOVCUFQ-SNPRPXQTSA-N 1 3 230.355 1.941 20 0 BDADHO CC(C)OCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252882216 370138108 /nfs/dbraw/zinc/13/81/08/370138108.db2.gz ZGCLQYZWMKLWDW-RWMBFGLXSA-N 1 3 226.364 1.471 20 0 BDADHO FC1(CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000309823978 370264546 /nfs/dbraw/zinc/26/45/46/370264546.db2.gz GYILZCXVEWVCPT-UHFFFAOYSA-N 1 3 212.312 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621372119 370310156 /nfs/dbraw/zinc/31/01/56/370310156.db2.gz PMPRXSGNPJCRQE-ZIAGYGMSSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621372119 370310158 /nfs/dbraw/zinc/31/01/58/370310158.db2.gz PMPRXSGNPJCRQE-ZIAGYGMSSA-N 1 3 242.407 1.669 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccnc(C)c2)CC1 ZINC000621774349 370519627 /nfs/dbraw/zinc/51/96/27/370519627.db2.gz RIPAYUYUHZWCIK-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO CSCC[C@H](CO)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000568856580 326379379 /nfs/dbraw/zinc/37/93/79/326379379.db2.gz YLPRFFMRCOMSJL-QJPTWQEYSA-N 1 3 246.420 1.078 20 0 BDADHO CSCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000568856580 326379380 /nfs/dbraw/zinc/37/93/80/326379380.db2.gz YLPRFFMRCOMSJL-QJPTWQEYSA-N 1 3 246.420 1.078 20 0 BDADHO CC[C@H](COC)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121034 371321225 /nfs/dbraw/zinc/32/12/25/371321225.db2.gz MGHJDPJMFCWMLI-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](COC)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121034 371321229 /nfs/dbraw/zinc/32/12/29/371321229.db2.gz MGHJDPJMFCWMLI-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@](C)(O)C1 ZINC000161890288 371578362 /nfs/dbraw/zinc/57/83/62/371578362.db2.gz TVGZXACRYXXBJO-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@](C)(O)C1 ZINC000161890288 371578368 /nfs/dbraw/zinc/57/83/68/371578368.db2.gz TVGZXACRYXXBJO-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000230463830 371913907 /nfs/dbraw/zinc/91/39/07/371913907.db2.gz JAJJHFKDIIARNX-RGDJUOJXSA-N 1 3 238.375 1.242 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000230463830 371913920 /nfs/dbraw/zinc/91/39/20/371913920.db2.gz JAJJHFKDIIARNX-RGDJUOJXSA-N 1 3 238.375 1.242 20 0 BDADHO C[C@H](CNCc1ccc(=O)[nH]c1)C[NH+](C)C ZINC000631139935 372206772 /nfs/dbraw/zinc/20/67/72/372206772.db2.gz MBJGMSZIHSTKTA-SNVBAGLBSA-N 1 3 223.320 1.075 20 0 BDADHO C[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)CN(C)C ZINC000631139935 372206778 /nfs/dbraw/zinc/20/67/78/372206778.db2.gz MBJGMSZIHSTKTA-SNVBAGLBSA-N 1 3 223.320 1.075 20 0 BDADHO [NH3+]C[C@H]1CCN(Cc2cccc3c2CCOC3)C1 ZINC000631820489 372593847 /nfs/dbraw/zinc/59/38/47/372593847.db2.gz AXGGHBKZSJJKOF-GFCCVEGCSA-N 1 3 246.354 1.540 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821372 372595467 /nfs/dbraw/zinc/59/54/67/372595467.db2.gz WJROGGZVZZHCAB-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821372 372595470 /nfs/dbraw/zinc/59/54/70/372595470.db2.gz WJROGGZVZZHCAB-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821372 372595476 /nfs/dbraw/zinc/59/54/76/372595476.db2.gz WJROGGZVZZHCAB-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000631836985 372625741 /nfs/dbraw/zinc/62/57/41/372625741.db2.gz KXOMWVKWTPKPHC-UJPOAAIJSA-N 1 3 208.349 1.559 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000631836985 372625746 /nfs/dbraw/zinc/62/57/46/372625746.db2.gz KXOMWVKWTPKPHC-UJPOAAIJSA-N 1 3 208.349 1.559 20 0 BDADHO COc1cccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838943 372634422 /nfs/dbraw/zinc/63/44/22/372634422.db2.gz XHXREPUQNAOPIU-DGCLKSJQSA-N 1 3 234.343 1.722 20 0 BDADHO C[C@H](c1ccncc1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840025 372636127 /nfs/dbraw/zinc/63/61/27/372636127.db2.gz OJXSJWZVYJMDGC-NQBHXWOUSA-N 1 3 219.332 1.669 20 0 BDADHO Cc1cccc(OCCN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843190 372640885 /nfs/dbraw/zinc/64/08/85/372640885.db2.gz KDNSMHMLXCPQRW-ZIAGYGMSSA-N 1 3 248.370 1.900 20 0 BDADHO OCC[NH2+]C1CCN(CC2CCCC2)CC1 ZINC000631862479 372663390 /nfs/dbraw/zinc/66/33/90/372663390.db2.gz JKGGHYSRXVKUQI-UHFFFAOYSA-N 1 3 226.364 1.223 20 0 BDADHO CCOCC[N@@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631883898 372679753 /nfs/dbraw/zinc/67/97/53/372679753.db2.gz DAWMGYCYFGWGLD-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CCOCC[N@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631883898 372679758 /nfs/dbraw/zinc/67/97/58/372679758.db2.gz DAWMGYCYFGWGLD-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCO1 ZINC000424382146 206040213 /nfs/dbraw/zinc/04/02/13/206040213.db2.gz ZXHUIMBCCFTDHJ-QCNOEVLYSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]1COC[C@H](C)N1CC1CC[NH2+]CC1 ZINC000178974764 134314365 /nfs/dbraw/zinc/31/43/65/134314365.db2.gz IEBGETRPCQVODL-PHIMTYICSA-N 1 3 212.337 1.095 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000037619508 169006170 /nfs/dbraw/zinc/00/61/70/169006170.db2.gz KZNBJPMWEUKXBT-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503687 169007607 /nfs/dbraw/zinc/00/76/07/169007607.db2.gz MJCVXOHSJFQLFZ-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO OC[C@@H](Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000129247673 183106311 /nfs/dbraw/zinc/10/63/11/183106311.db2.gz VXKZSECDCCJHMP-LSDHHAIUSA-N 1 3 248.370 1.322 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@H](O)C(C)C)CC1 ZINC000336721989 169186399 /nfs/dbraw/zinc/18/63/99/169186399.db2.gz XTUPBSKRJKGYOY-AWEZNQCLSA-N 1 3 242.407 1.810 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](OC)C2CC2)CC1 ZINC000340489147 169188368 /nfs/dbraw/zinc/18/83/68/169188368.db2.gz QYKMBRLNJUIQBQ-CQSZACIVSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CCN(CC)C2)CC1 ZINC000328531741 169189136 /nfs/dbraw/zinc/18/91/36/169189136.db2.gz XTIGUEGOFHOKCS-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCN(CC)C2)CC1 ZINC000328531741 169189137 /nfs/dbraw/zinc/18/91/37/169189137.db2.gz XTIGUEGOFHOKCS-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO CCCNCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000053388055 169260575 /nfs/dbraw/zinc/26/05/75/169260575.db2.gz CPFHRYKXPXLIIB-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CCCN[C@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000296576021 169285601 /nfs/dbraw/zinc/28/56/01/169285601.db2.gz WNDKJXMIYLMHFF-LLVKDONJSA-N 1 3 249.358 1.733 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC000341009126 171084551 /nfs/dbraw/zinc/08/45/51/171084551.db2.gz LMEPQFPIKUKNOE-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1O ZINC000341009126 171084552 /nfs/dbraw/zinc/08/45/52/171084552.db2.gz LMEPQFPIKUKNOE-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO COCCCCC[N@@H+]1CCC[C@@H](N)C1 ZINC000226417653 134365907 /nfs/dbraw/zinc/36/59/07/134365907.db2.gz XGRGUFYAIMNEJE-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO COCCCCC[N@H+]1CCC[C@@H](N)C1 ZINC000226417653 134365908 /nfs/dbraw/zinc/36/59/08/134365908.db2.gz XGRGUFYAIMNEJE-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO C[C@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745131 134370700 /nfs/dbraw/zinc/37/07/00/134370700.db2.gz DHBJZWXZOPLNFW-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1ccc(CN2CCC(CC[NH3+])CC2)cn1 ZINC000228858962 259636808 /nfs/dbraw/zinc/63/68/08/259636808.db2.gz HDEFMKLLIZTFNK-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000113516220 383989667 /nfs/dbraw/zinc/98/96/67/383989667.db2.gz ILLCNTRIUGNEGI-AWEZNQCLSA-N 1 3 248.370 1.949 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000113516220 383989682 /nfs/dbraw/zinc/98/96/82/383989682.db2.gz ILLCNTRIUGNEGI-AWEZNQCLSA-N 1 3 248.370 1.949 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)C(C)C ZINC000643546641 384017429 /nfs/dbraw/zinc/01/74/29/384017429.db2.gz SJRPAXLHLZAFPP-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)C(C)C ZINC000643546641 384017437 /nfs/dbraw/zinc/01/74/37/384017437.db2.gz SJRPAXLHLZAFPP-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000401801475 384036243 /nfs/dbraw/zinc/03/62/43/384036243.db2.gz UQHJIHZYRCAPKE-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)[C@@H](C)O1 ZINC000643548387 384036546 /nfs/dbraw/zinc/03/65/46/384036546.db2.gz OPNGYRFNHITFTH-NDBYEHHHSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC3(CCC3)C2)[C@@H](C)O1 ZINC000643548387 384036554 /nfs/dbraw/zinc/03/65/54/384036554.db2.gz OPNGYRFNHITFTH-NDBYEHHHSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1[C@H](C)N(CC[NH+]2CCCCC2)CCN1C ZINC000335895730 384093516 /nfs/dbraw/zinc/09/35/16/384093516.db2.gz AUKUHRFBZLPBRW-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000569503112 384135141 /nfs/dbraw/zinc/13/51/41/384135141.db2.gz NUIYAPVASXGNNK-QJPTWQEYSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000569503112 384135147 /nfs/dbraw/zinc/13/51/47/384135147.db2.gz NUIYAPVASXGNNK-QJPTWQEYSA-N 1 3 214.353 1.253 20 0 BDADHO CC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000229967163 259645316 /nfs/dbraw/zinc/64/53/16/259645316.db2.gz NIPJNDAIYSSCEH-ZWKOPEQDSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@H](C)C1)C[NH+]1CCCC1 ZINC000401873378 384185302 /nfs/dbraw/zinc/18/53/02/384185302.db2.gz DAPKGXSNIDGVKA-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@H](C)C1)CN1CCCC1 ZINC000401873378 384185308 /nfs/dbraw/zinc/18/53/08/384185308.db2.gz DAPKGXSNIDGVKA-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236419 384235010 /nfs/dbraw/zinc/23/50/10/384235010.db2.gz IWHMCUAWWNBIRM-NEPJUHHUSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000397236419 384235013 /nfs/dbraw/zinc/23/50/13/384235013.db2.gz IWHMCUAWWNBIRM-NEPJUHHUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](C(=O)NCC(C)(C)[NH3+])N1CCCCCC1 ZINC000237469171 384220828 /nfs/dbraw/zinc/22/08/28/384220828.db2.gz HPDFLLXBQNOWRC-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCCO2)C[C@H]1CN ZINC000397476082 384253825 /nfs/dbraw/zinc/25/38/25/384253825.db2.gz GWVQDZBLSHILBK-XJFOESAGSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCCO2)C[C@H]1CN ZINC000397476082 384253830 /nfs/dbraw/zinc/25/38/30/384253830.db2.gz GWVQDZBLSHILBK-XJFOESAGSA-N 1 3 240.391 1.861 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000173887785 384275607 /nfs/dbraw/zinc/27/56/07/384275607.db2.gz QONSYUWEQSGOGJ-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000173887785 384275612 /nfs/dbraw/zinc/27/56/12/384275612.db2.gz QONSYUWEQSGOGJ-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCCCOC)C1 ZINC000173908925 384283782 /nfs/dbraw/zinc/28/37/82/384283782.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCCCOC)C1 ZINC000173908925 384283787 /nfs/dbraw/zinc/28/37/87/384283787.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCCCOC)C1 ZINC000173908925 384283792 /nfs/dbraw/zinc/28/37/92/384283792.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCCCOC)C1 ZINC000173908925 384283797 /nfs/dbraw/zinc/28/37/97/384283797.db2.gz OHVCKFGASBXKKR-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000401929017 384292324 /nfs/dbraw/zinc/29/23/24/384292324.db2.gz UKEQGLKUWSKKOH-ZYHUDNBSSA-N 1 3 210.321 1.015 20 0 BDADHO Cc1ccc(C)c(C[N@@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313364231 384296145 /nfs/dbraw/zinc/29/61/45/384296145.db2.gz XOVQUOQRWSVRPF-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1ccc(C)c(C[N@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313364231 384296148 /nfs/dbraw/zinc/29/61/48/384296148.db2.gz XOVQUOQRWSVRPF-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOCC(F)(F)F ZINC000405479350 384369396 /nfs/dbraw/zinc/36/93/96/384369396.db2.gz MTCHZHMVAIYMKW-YUMQZZPRSA-N 1 3 240.269 1.281 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000405479350 384369403 /nfs/dbraw/zinc/36/94/03/384369403.db2.gz MTCHZHMVAIYMKW-YUMQZZPRSA-N 1 3 240.269 1.281 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000096033414 384424310 /nfs/dbraw/zinc/42/43/10/384424310.db2.gz QXZOUSARSUBJQP-QWRGUYRKSA-N 1 3 214.353 1.341 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084215641 384377393 /nfs/dbraw/zinc/37/73/93/384377393.db2.gz KBLQAAFWXGTLLM-VXGBXAGGSA-N 1 3 214.353 1.520 20 0 BDADHO C[C@H](CC(=O)Nc1ccccc1)NCCC[NH3+] ZINC000306009783 384469560 /nfs/dbraw/zinc/46/95/60/384469560.db2.gz MDHCPAJUOACNGO-LLVKDONJSA-N 1 3 235.331 1.342 20 0 BDADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCN ZINC000306009783 384469565 /nfs/dbraw/zinc/46/95/65/384469565.db2.gz MDHCPAJUOACNGO-LLVKDONJSA-N 1 3 235.331 1.342 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647177219 384501410 /nfs/dbraw/zinc/50/14/10/384501410.db2.gz QHRFXOFCQUNNFZ-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647177219 384501414 /nfs/dbraw/zinc/50/14/14/384501414.db2.gz QHRFXOFCQUNNFZ-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO COC1(C[N@@H+]2CC[C@@H](C)[C@H](CN)C2)CCCC1 ZINC000319853982 384515323 /nfs/dbraw/zinc/51/53/23/384515323.db2.gz LGMOUGNTDUVWLS-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO COC1(C[N@H+]2CC[C@@H](C)[C@H](CN)C2)CCCC1 ZINC000319853982 384515330 /nfs/dbraw/zinc/51/53/30/384515330.db2.gz LGMOUGNTDUVWLS-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CCN(C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000249820562 384522641 /nfs/dbraw/zinc/52/26/41/384522641.db2.gz LEQPRSXEEDVMLO-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](C[NH2+][C@H](C)Cn1cccn1)CN(C)C ZINC000309730275 384561787 /nfs/dbraw/zinc/56/17/87/384561787.db2.gz FEVQDKNWEZNRMK-VXGBXAGGSA-N 1 3 224.352 1.059 20 0 BDADHO C[C@H](CN[C@H](C)Cn1cccn1)C[NH+](C)C ZINC000309730275 384561794 /nfs/dbraw/zinc/56/17/94/384561794.db2.gz FEVQDKNWEZNRMK-VXGBXAGGSA-N 1 3 224.352 1.059 20 0 BDADHO COC[C@H](C)CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000556938314 384667980 /nfs/dbraw/zinc/66/79/80/384667980.db2.gz WNQAYJXQZNUEDV-NEPJUHHUSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@@H](C)CNC[C@@H]1[NH2+]CCCC1(C)C ZINC000556938316 384668521 /nfs/dbraw/zinc/66/85/21/384668521.db2.gz WNQAYJXQZNUEDV-RYUDHWBXSA-N 1 3 228.380 1.637 20 0 BDADHO CC(F)(F)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000357718277 384683135 /nfs/dbraw/zinc/68/31/35/384683135.db2.gz VIFWQDDOXUISBQ-RKDXNWHRSA-N 1 3 206.280 1.749 20 0 BDADHO CC(F)(F)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000357718277 384683139 /nfs/dbraw/zinc/68/31/39/384683139.db2.gz VIFWQDDOXUISBQ-RKDXNWHRSA-N 1 3 206.280 1.749 20 0 BDADHO C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCCNC1 ZINC000423221235 384779351 /nfs/dbraw/zinc/77/93/51/384779351.db2.gz ZLCUXBNLKABNEC-RAIGVLPGSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](NCC2(CCO)CCCC2)C1 ZINC000647550513 384745911 /nfs/dbraw/zinc/74/59/11/384745911.db2.gz VHYHAURSUDPQMW-STQMWFEESA-N 1 3 240.391 1.517 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000309971152 384748496 /nfs/dbraw/zinc/74/84/96/384748496.db2.gz PNKGSILWNIUGRN-GFCCVEGCSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)ncn2C ZINC000647552259 384756492 /nfs/dbraw/zinc/75/64/92/384756492.db2.gz NUDLTIWKZDTFDM-GHMZBOCLSA-N 1 3 246.358 1.789 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)O1 ZINC000398163896 384823618 /nfs/dbraw/zinc/82/36/18/384823618.db2.gz LTAYRMMKXPPLGP-DDHJBXDOSA-N 1 3 212.337 1.271 20 0 BDADHO COC[C@H]([NH2+]CC1(N)CCCCC1)C1CC1 ZINC000398121946 384809581 /nfs/dbraw/zinc/80/95/81/384809581.db2.gz QQIKAUHBJOCWJG-LBPRGKRZSA-N 1 3 226.364 1.663 20 0 BDADHO COC[C@H](NCC1([NH3+])CCCCC1)C1CC1 ZINC000398121946 384809596 /nfs/dbraw/zinc/80/95/96/384809596.db2.gz QQIKAUHBJOCWJG-LBPRGKRZSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@H](CNCc1[nH]nc2ccccc21)C[NH+](C)C ZINC000644412690 384869930 /nfs/dbraw/zinc/86/99/30/384869930.db2.gz YFPGGRCMHLEHME-LLVKDONJSA-N 1 3 246.358 1.850 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000423398865 384852672 /nfs/dbraw/zinc/85/26/72/384852672.db2.gz PCRXSMZIEMODMQ-FOUMNBMASA-N 1 3 208.349 1.763 20 0 BDADHO CSCCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061925 384856409 /nfs/dbraw/zinc/85/64/09/384856409.db2.gz VBHXDZSOMXARSU-WDEREUQCSA-N 1 3 216.394 1.764 20 0 BDADHO CSCCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061925 384856413 /nfs/dbraw/zinc/85/64/13/384856413.db2.gz VBHXDZSOMXARSU-WDEREUQCSA-N 1 3 216.394 1.764 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc2c(c1)ncn2C ZINC000258671687 384934851 /nfs/dbraw/zinc/93/48/51/384934851.db2.gz CUFWZYIBUXKPQJ-SNVBAGLBSA-N 1 3 232.331 1.258 20 0 BDADHO CO[C@@H]1CC[N@H+](CCc2ccccc2)[C@@H](CN)C1 ZINC000226411529 385011603 /nfs/dbraw/zinc/01/16/03/385011603.db2.gz WHCNBHTWNJPIHV-HUUCEWRRSA-N 1 3 248.370 1.667 20 0 BDADHO CO[C@@H]1CC[N@@H+](CCc2ccccc2)[C@@H](CN)C1 ZINC000226411529 385011608 /nfs/dbraw/zinc/01/16/08/385011608.db2.gz WHCNBHTWNJPIHV-HUUCEWRRSA-N 1 3 248.370 1.667 20 0 BDADHO C[C@H](O)CNCC[C@H](C)[NH+]1CCCCC1 ZINC000644621042 385026779 /nfs/dbraw/zinc/02/67/79/385026779.db2.gz OBDAPDYKWACTCN-RYUDHWBXSA-N 1 3 214.353 1.221 20 0 BDADHO C[C@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000644621042 385026786 /nfs/dbraw/zinc/02/67/86/385026786.db2.gz OBDAPDYKWACTCN-RYUDHWBXSA-N 1 3 214.353 1.221 20 0 BDADHO COCCN(C)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000156978896 385029650 /nfs/dbraw/zinc/02/96/50/385029650.db2.gz YGNPKMWBUXLGSF-ZDUSSCGKSA-N 1 3 244.379 1.066 20 0 BDADHO COCCN(C)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000156978896 385029655 /nfs/dbraw/zinc/02/96/55/385029655.db2.gz YGNPKMWBUXLGSF-ZDUSSCGKSA-N 1 3 244.379 1.066 20 0 BDADHO C1CC12C[C@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424181273 385109317 /nfs/dbraw/zinc/10/93/17/385109317.db2.gz BTJNLRXZRCSBOR-QJPTWQEYSA-N 1 3 206.333 1.755 20 0 BDADHO C1CC12C[C@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424181273 385109323 /nfs/dbraw/zinc/10/93/23/385109323.db2.gz BTJNLRXZRCSBOR-QJPTWQEYSA-N 1 3 206.333 1.755 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CCCCO1 ZINC000404879258 385121070 /nfs/dbraw/zinc/12/10/70/385121070.db2.gz YVXSEIUFXBWDFK-HBNTYKKESA-N 1 3 212.337 1.271 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000404879258 385121073 /nfs/dbraw/zinc/12/10/73/385121073.db2.gz YVXSEIUFXBWDFK-HBNTYKKESA-N 1 3 212.337 1.271 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCCCO1 ZINC000404879259 385121768 /nfs/dbraw/zinc/12/17/68/385121768.db2.gz YVXSEIUFXBWDFK-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000404879259 385121774 /nfs/dbraw/zinc/12/17/74/385121774.db2.gz YVXSEIUFXBWDFK-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)C(C)(C)C1 ZINC000559757991 385164116 /nfs/dbraw/zinc/16/41/16/385164116.db2.gz ACMSOTBXGQOLMV-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000644784223 385169698 /nfs/dbraw/zinc/16/96/98/385169698.db2.gz WKKJNCGJSSBYPI-OLZOCXBDSA-N 1 3 224.348 1.193 20 0 BDADHO C[N@H+]1CC[C@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000644784223 385169709 /nfs/dbraw/zinc/16/97/09/385169709.db2.gz WKKJNCGJSSBYPI-OLZOCXBDSA-N 1 3 224.348 1.193 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H]1N ZINC000422721404 385201341 /nfs/dbraw/zinc/20/13/41/385201341.db2.gz VHVQBAKZFMANTR-QJPTWQEYSA-N 1 3 213.369 1.186 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000647096251 385287346 /nfs/dbraw/zinc/28/73/46/385287346.db2.gz MAUVGOWENAMQQE-UHFFFAOYSA-N 1 3 235.331 1.520 20 0 BDADHO COC[C@@H](CC(C)C)NCCC[NH+](C)C ZINC000308918760 385291760 /nfs/dbraw/zinc/29/17/60/385291760.db2.gz GOWIZWLOELRDHZ-GFCCVEGCSA-N 1 3 216.369 1.589 20 0 BDADHO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000130992784 385299747 /nfs/dbraw/zinc/29/97/47/385299747.db2.gz AXUYVLJDKWHRLB-LBPRGKRZSA-N 1 3 233.315 1.226 20 0 BDADHO Cc1nccn1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158055879 385331948 /nfs/dbraw/zinc/33/19/48/385331948.db2.gz VMIRXLGNDBKONX-UONOGXRCSA-N 1 3 248.374 1.408 20 0 BDADHO Cc1nccn1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158055879 385331951 /nfs/dbraw/zinc/33/19/51/385331951.db2.gz VMIRXLGNDBKONX-UONOGXRCSA-N 1 3 248.374 1.408 20 0 BDADHO CC[C@@H]1CN(CC(C)(C)COC)CC[C@H]1[NH3+] ZINC000647497869 385408405 /nfs/dbraw/zinc/40/84/05/385408405.db2.gz YLSMGJYOPYQVMY-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@@H]1C[N@H+](CC(C)(C)COC)CC[C@H]1N ZINC000647497869 385408406 /nfs/dbraw/zinc/40/84/06/385408406.db2.gz YLSMGJYOPYQVMY-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@@H]1C[N@@H+](CC(C)(C)COC)CC[C@H]1N ZINC000647497869 385408408 /nfs/dbraw/zinc/40/84/08/385408408.db2.gz YLSMGJYOPYQVMY-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405307341 385466960 /nfs/dbraw/zinc/46/69/60/385466960.db2.gz LKHIZRZWYFGNEF-VHSXEESVSA-N 1 3 200.326 1.127 20 0 BDADHO CC(C)OCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000405307341 385466964 /nfs/dbraw/zinc/46/69/64/385466964.db2.gz LKHIZRZWYFGNEF-VHSXEESVSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@H]1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208353 385482076 /nfs/dbraw/zinc/48/20/76/385482076.db2.gz BKPLUFQNOFNRMJ-AAEUAGOBSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208353 385482077 /nfs/dbraw/zinc/48/20/77/385482077.db2.gz BKPLUFQNOFNRMJ-AAEUAGOBSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](C[NH2+]C[C@H]1CCCOC1)CN1CCCC1 ZINC000111320516 385501070 /nfs/dbraw/zinc/50/10/70/385501070.db2.gz UIINNTMWFSNSFA-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@](C)(CC)OC)C1 ZINC000319097772 385542549 /nfs/dbraw/zinc/54/25/49/385542549.db2.gz WAQQDGXQDHINTG-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@@H+]1CC[C@H](CNC[C@@](C)(CC)OC)C1 ZINC000319097772 385542554 /nfs/dbraw/zinc/54/25/54/385542554.db2.gz WAQQDGXQDHINTG-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC[N@H+]1CC[C@H](CNC[C@@](C)(CC)OC)C1 ZINC000319097772 385542557 /nfs/dbraw/zinc/54/25/57/385542557.db2.gz WAQQDGXQDHINTG-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO COC1(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000319171260 385553555 /nfs/dbraw/zinc/55/35/55/385553555.db2.gz LVVZTFISURXVSW-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CN(CCC1CC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000309465117 385595645 /nfs/dbraw/zinc/59/56/45/385595645.db2.gz SNRGICZWQKWIBL-CYBMUJFWSA-N 1 3 226.364 1.173 20 0 BDADHO CN(CCC1CC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309465117 385595646 /nfs/dbraw/zinc/59/56/46/385595646.db2.gz SNRGICZWQKWIBL-CYBMUJFWSA-N 1 3 226.364 1.173 20 0 BDADHO CCOCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000309429042 385579600 /nfs/dbraw/zinc/57/96/00/385579600.db2.gz FUFOIDBUOJGZKR-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000309429042 385579603 /nfs/dbraw/zinc/57/96/03/385579603.db2.gz FUFOIDBUOJGZKR-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309429042 385579608 /nfs/dbraw/zinc/57/96/08/385579608.db2.gz FUFOIDBUOJGZKR-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO Cn1cncc1C[NH2+][C@H](CN)C1CCCCC1 ZINC000414851587 385654977 /nfs/dbraw/zinc/65/49/77/385654977.db2.gz POZCERIFVKWQNE-CYBMUJFWSA-N 1 3 236.363 1.417 20 0 BDADHO COC[C@@H](CC(C)C)NC[C@@H]1CCC[NH2+]C1 ZINC000414859691 385736032 /nfs/dbraw/zinc/73/60/32/385736032.db2.gz UTJPCQFQCPCAQN-CHWSQXEVSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCNC1 ZINC000414859691 385736036 /nfs/dbraw/zinc/73/60/36/385736036.db2.gz UTJPCQFQCPCAQN-CHWSQXEVSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](C(=O)NCC[C@H](C)[NH3+])[C@H](N)c1ccccc1 ZINC000262544653 385859154 /nfs/dbraw/zinc/85/91/54/385859154.db2.gz YVWQVYWEONEMIT-LOWVWBTDSA-N 1 3 249.358 1.176 20 0 BDADHO COC[C@]1(CN[C@H]2CCC[C@@H]2C)CCC[NH2+]1 ZINC000414945312 385799610 /nfs/dbraw/zinc/79/96/10/385799610.db2.gz PZQOJFXGGLCZMY-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1SCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804409 385840548 /nfs/dbraw/zinc/84/05/48/385840548.db2.gz PYFLYCFFYYAVSE-GDGRRUBZSA-N 1 3 226.389 1.753 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000336656788 385794136 /nfs/dbraw/zinc/79/41/36/385794136.db2.gz MCIMHNARHSTRLR-RQJABVFESA-N 1 3 240.391 1.922 20 0 BDADHO CCc1ncc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647798672 385797588 /nfs/dbraw/zinc/79/75/88/385797588.db2.gz VJKWEEPBWDVEDJ-QJPTWQEYSA-N 1 3 249.358 1.715 20 0 BDADHO CO[C@@H]1CC[N@H+](CCc2ccccc2)[C@H](CN)C1 ZINC000161007838 385929146 /nfs/dbraw/zinc/92/91/46/385929146.db2.gz WHCNBHTWNJPIHV-LSDHHAIUSA-N 1 3 248.370 1.667 20 0 BDADHO CO[C@@H]1CC[N@@H+](CCc2ccccc2)[C@H](CN)C1 ZINC000161007838 385929150 /nfs/dbraw/zinc/92/91/50/385929150.db2.gz WHCNBHTWNJPIHV-LSDHHAIUSA-N 1 3 248.370 1.667 20 0 BDADHO COCC[C@H](C)[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000122354188 385913711 /nfs/dbraw/zinc/91/37/11/385913711.db2.gz GCYQIDRSUDGKFT-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000122354188 385913714 /nfs/dbraw/zinc/91/37/14/385913714.db2.gz GCYQIDRSUDGKFT-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039009 385930275 /nfs/dbraw/zinc/93/02/75/385930275.db2.gz KCHMVBHZAPESJR-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000335018390 385978033 /nfs/dbraw/zinc/97/80/33/385978033.db2.gz HHVDHACFOSYRIH-KBPBESRZSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251149564 385935607 /nfs/dbraw/zinc/93/56/07/385935607.db2.gz XYAFZZISIRAAQK-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)[C@@H](C)[C@H]1C ZINC000338284554 385948973 /nfs/dbraw/zinc/94/89/73/385948973.db2.gz QYLHTCMTYPCQLH-UONOGXRCSA-N 1 3 241.423 1.743 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)C1 ZINC000304644950 385953967 /nfs/dbraw/zinc/95/39/67/385953967.db2.gz SVIIFRUMPSWDNO-NDBYEHHHSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCNC1)CC1CCOCC1 ZINC000414882392 386011613 /nfs/dbraw/zinc/01/16/13/386011613.db2.gz MHZCKWUBPSYYSR-DGCLKSJQSA-N 1 3 226.364 1.391 20 0 BDADHO CCn1nccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414980864 386057749 /nfs/dbraw/zinc/05/77/49/386057749.db2.gz WZJLZDAWNAOCKU-LBPRGKRZSA-N 1 3 236.363 1.525 20 0 BDADHO Cc1nc(CNCC[C@H]2CCC[NH2+]C2)cs1 ZINC000054309203 386117190 /nfs/dbraw/zinc/11/71/90/386117190.db2.gz SPXIELFEQODXTP-LLVKDONJSA-N 1 3 239.388 1.931 20 0 BDADHO C[C@H](C[NH3+])C(=O)Nc1cccc(CN(C)C)c1 ZINC000054338821 386121426 /nfs/dbraw/zinc/12/14/26/386121426.db2.gz VGXNGVOWUSBNRV-SNVBAGLBSA-N 1 3 235.331 1.282 20 0 BDADHO CO[C@@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404142 386076766 /nfs/dbraw/zinc/07/67/66/386076766.db2.gz OUJYRWYDGFKLSK-RYUDHWBXSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404142 386076771 /nfs/dbraw/zinc/07/67/71/386076771.db2.gz OUJYRWYDGFKLSK-RYUDHWBXSA-N 1 3 214.353 1.437 20 0 BDADHO COC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365424645 386087930 /nfs/dbraw/zinc/08/79/30/386087930.db2.gz XWPINOSWNHDECU-NEPJUHHUSA-N 1 3 214.353 1.437 20 0 BDADHO COC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365424645 386087933 /nfs/dbraw/zinc/08/79/33/386087933.db2.gz XWPINOSWNHDECU-NEPJUHHUSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)C1CC1 ZINC000425482433 386152091 /nfs/dbraw/zinc/15/20/91/386152091.db2.gz QSJVNYVQWBFNBO-KBPBESRZSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)C1CC1 ZINC000425482433 386152097 /nfs/dbraw/zinc/15/20/97/386152097.db2.gz QSJVNYVQWBFNBO-KBPBESRZSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H](CN1CCC[C@H]([NH+](C)C)CC1)C1CC1 ZINC000425482433 386152102 /nfs/dbraw/zinc/15/21/02/386152102.db2.gz QSJVNYVQWBFNBO-KBPBESRZSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H]1CCc2ccccc2C1 ZINC000414988491 386132394 /nfs/dbraw/zinc/13/23/94/386132394.db2.gz LZDUIUONXQVHBS-KGLIPLIRSA-N 1 3 218.344 1.871 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@]1(C)CCCO1 ZINC000340530987 386141781 /nfs/dbraw/zinc/14/17/81/386141781.db2.gz INNJTWRUIOLIJQ-TZMCWYRMSA-N 1 3 238.375 1.796 20 0 BDADHO Cc1cccc(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000414896589 386204110 /nfs/dbraw/zinc/20/41/10/386204110.db2.gz PNUVKGJBBICYCZ-CYBMUJFWSA-N 1 3 204.317 1.822 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700795 386207400 /nfs/dbraw/zinc/20/74/00/386207400.db2.gz GJANSCYUBCIPKF-NEPJUHHUSA-N 1 3 230.396 1.699 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700795 386207406 /nfs/dbraw/zinc/20/74/06/386207406.db2.gz GJANSCYUBCIPKF-NEPJUHHUSA-N 1 3 230.396 1.699 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700800 386208637 /nfs/dbraw/zinc/20/86/37/386208637.db2.gz GJANSCYUBCIPKF-RYUDHWBXSA-N 1 3 230.396 1.699 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000414700800 386208642 /nfs/dbraw/zinc/20/86/42/386208642.db2.gz GJANSCYUBCIPKF-RYUDHWBXSA-N 1 3 230.396 1.699 20 0 BDADHO [NH3+]CCCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000414704155 386212333 /nfs/dbraw/zinc/21/23/33/386212333.db2.gz JKJIFXOMVPDFIQ-TZMCWYRMSA-N 1 3 237.391 1.284 20 0 BDADHO C[C@@H](CC1CCOCC1)CN1CCC[C@H]1C[NH3+] ZINC000347084851 386241459 /nfs/dbraw/zinc/24/14/59/386241459.db2.gz CIOOPEKCAFZMLK-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)(C)C[N@H+](CCCN)CCCO ZINC000414694680 386194537 /nfs/dbraw/zinc/19/45/37/386194537.db2.gz NKYGCDKDKCJRLM-UHFFFAOYSA-N 1 3 202.342 1.066 20 0 BDADHO CC(C)(C)C[N@@H+](CCCN)CCCO ZINC000414694680 386194541 /nfs/dbraw/zinc/19/45/41/386194541.db2.gz NKYGCDKDKCJRLM-UHFFFAOYSA-N 1 3 202.342 1.066 20 0 BDADHO CC(C)(C)CN(CCC[NH3+])CCCO ZINC000414694680 386194546 /nfs/dbraw/zinc/19/45/46/386194546.db2.gz NKYGCDKDKCJRLM-UHFFFAOYSA-N 1 3 202.342 1.066 20 0 BDADHO COC(=O)CC[N@H+](C[C@@H](N)CC(C)C)C(C)C ZINC000414695755 386196648 /nfs/dbraw/zinc/19/66/48/386196648.db2.gz OTSNMTBELPZQPE-LBPRGKRZSA-N 1 3 244.379 1.633 20 0 BDADHO COC(=O)CC[N@@H+](C[C@@H](N)CC(C)C)C(C)C ZINC000414695755 386196650 /nfs/dbraw/zinc/19/66/50/386196650.db2.gz OTSNMTBELPZQPE-LBPRGKRZSA-N 1 3 244.379 1.633 20 0 BDADHO CN(CC[NH2+]C(C)(C)C)[C@H]1CCN(C2CC2)C1 ZINC000414697759 386198284 /nfs/dbraw/zinc/19/82/84/386198284.db2.gz QGVFMAHBGAGZNO-ZDUSSCGKSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)[C@@H](O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336668206 386296418 /nfs/dbraw/zinc/29/64/18/386296418.db2.gz RUVZQHYQSRDKED-STQMWFEESA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)[C@@H](O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336668206 386296424 /nfs/dbraw/zinc/29/64/24/386296424.db2.gz RUVZQHYQSRDKED-STQMWFEESA-N 1 3 228.380 1.277 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(CCC(C)(C)O)C1 ZINC000347297079 386299486 /nfs/dbraw/zinc/29/94/86/386299486.db2.gz GFFBBUPYGARZTA-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(CCC(C)(C)O)C1 ZINC000347297079 386299487 /nfs/dbraw/zinc/29/94/87/386299487.db2.gz GFFBBUPYGARZTA-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000347297079 386299494 /nfs/dbraw/zinc/29/94/94/386299494.db2.gz GFFBBUPYGARZTA-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000347297079 386299498 /nfs/dbraw/zinc/29/94/98/386299498.db2.gz GFFBBUPYGARZTA-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)[C@H](C(C)C)N(C)C ZINC000236791430 386311831 /nfs/dbraw/zinc/31/18/31/386311831.db2.gz ARBSFIKSJQCRHZ-NSHDSACASA-N 1 3 243.395 1.206 20 0 BDADHO NCCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414740825 386321429 /nfs/dbraw/zinc/32/14/29/386321429.db2.gz KFHQCNVYPNCBDK-LBPRGKRZSA-N 1 3 212.337 1.084 20 0 BDADHO NCCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000414740825 386321433 /nfs/dbraw/zinc/32/14/33/386321433.db2.gz KFHQCNVYPNCBDK-LBPRGKRZSA-N 1 3 212.337 1.084 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)Cn2cccn2)C1 ZINC000347185022 386272402 /nfs/dbraw/zinc/27/24/02/386272402.db2.gz HRYYWSYVGIIJLZ-CHWSQXEVSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)Cn2cccn2)C1 ZINC000347185022 386272405 /nfs/dbraw/zinc/27/24/05/386272405.db2.gz HRYYWSYVGIIJLZ-CHWSQXEVSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)Cn2cccn2)C1 ZINC000347185022 386272411 /nfs/dbraw/zinc/27/24/11/386272411.db2.gz HRYYWSYVGIIJLZ-CHWSQXEVSA-N 1 3 236.363 1.203 20 0 BDADHO CC[NH+](CC)C[C@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336682207 386340162 /nfs/dbraw/zinc/34/01/62/386340162.db2.gz CZXNOYAFBGSPQK-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336682207 386340167 /nfs/dbraw/zinc/34/01/67/386340167.db2.gz CZXNOYAFBGSPQK-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336682207 386340173 /nfs/dbraw/zinc/34/01/73/386340173.db2.gz CZXNOYAFBGSPQK-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277173 386341266 /nfs/dbraw/zinc/34/12/66/386341266.db2.gz DCHLUXBCKKIRRF-QWHCGFSZSA-N 1 3 238.375 1.318 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277173 386341271 /nfs/dbraw/zinc/34/12/71/386341271.db2.gz DCHLUXBCKKIRRF-QWHCGFSZSA-N 1 3 238.375 1.318 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000414746594 386347175 /nfs/dbraw/zinc/34/71/75/386347175.db2.gz SLFKVKJNSBQEQR-GRYCIOLGSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000414746594 386347180 /nfs/dbraw/zinc/34/71/80/386347180.db2.gz SLFKVKJNSBQEQR-GRYCIOLGSA-N 1 3 214.353 1.063 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CC[C@@H](C2CCOCC2)C1 ZINC000647989578 386359934 /nfs/dbraw/zinc/35/99/34/386359934.db2.gz HMBRRMVLZRIEAK-GXTWGEPZSA-N 1 3 238.375 1.344 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336696840 386376779 /nfs/dbraw/zinc/37/67/79/386376779.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336696840 386376784 /nfs/dbraw/zinc/37/67/84/386376784.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336696840 386376791 /nfs/dbraw/zinc/37/67/91/386376791.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336696840 386376796 /nfs/dbraw/zinc/37/67/96/386376796.db2.gz HHAZULWDUPGPNW-QWHCGFSZSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336696838 386378899 /nfs/dbraw/zinc/37/88/99/386378899.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336696838 386378907 /nfs/dbraw/zinc/37/89/07/386378907.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336696838 386378915 /nfs/dbraw/zinc/37/89/15/386378915.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336696838 386378923 /nfs/dbraw/zinc/37/89/23/386378923.db2.gz HHAZULWDUPGPNW-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H](N)CC(C)C)C[C@@H]1O ZINC000414752402 386380603 /nfs/dbraw/zinc/38/06/03/386380603.db2.gz BVJYPYZBPDSHMK-UTUOFQBUSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H](N)CC(C)C)C[C@@H]1O ZINC000414752402 386380605 /nfs/dbraw/zinc/38/06/05/386380605.db2.gz BVJYPYZBPDSHMK-UTUOFQBUSA-N 1 3 214.353 1.063 20 0 BDADHO Cc1ccc(-c2n[nH]cc2CN[C@@H](C)CC[NH3+])o1 ZINC000414902827 386326123 /nfs/dbraw/zinc/32/61/23/386326123.db2.gz YOXKJPTVIUIZAX-VIFPVBQESA-N 1 3 248.330 1.805 20 0 BDADHO Cc1ccc(NC(=O)CCC[NH3+])c(CN(C)C)c1 ZINC000237036503 386339525 /nfs/dbraw/zinc/33/95/25/386339525.db2.gz RUOSSBJCEGAPHY-UHFFFAOYSA-N 1 3 249.358 1.734 20 0 BDADHO C[C@@H](CC1CCOCC1)CN(C)C1CC([NH3+])C1 ZINC000414767841 386442267 /nfs/dbraw/zinc/44/22/67/386442267.db2.gz GWBOKHIJSDQLGM-XGNXJENSSA-N 1 3 240.391 1.861 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)[C@H](C)[C@H]1C ZINC000414754624 386397925 /nfs/dbraw/zinc/39/79/25/386397925.db2.gz GILNVYLFAJETRO-UPJWGTAASA-N 1 3 227.396 1.384 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336700652 386400287 /nfs/dbraw/zinc/40/02/87/386400287.db2.gz KNJOMLOCDKGBTK-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336700652 386400291 /nfs/dbraw/zinc/40/02/91/386400291.db2.gz KNJOMLOCDKGBTK-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO c1ncc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)s1 ZINC000415009460 386425825 /nfs/dbraw/zinc/42/58/25/386425825.db2.gz OCQZDALJVCUCLL-NWDGAFQWSA-N 1 3 237.372 1.621 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000347472614 386432889 /nfs/dbraw/zinc/43/28/89/386432889.db2.gz COGDBQHJPJCKGM-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1C ZINC000414765349 386434040 /nfs/dbraw/zinc/43/40/40/386434040.db2.gz FQLIHSMDIFSSPG-BETUJISGSA-N 1 3 248.374 1.160 20 0 BDADHO C[NH+]1CCC(C)(CNCc2ccccn2)CC1 ZINC000227330872 386476844 /nfs/dbraw/zinc/47/68/44/386476844.db2.gz XLXTYUGPMFDPEE-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO CC(C)(N)C[NH2+]Cc1cccc2c1CCCN2 ZINC000415042144 386529049 /nfs/dbraw/zinc/52/90/49/386529049.db2.gz UPEYIVUBVUPIDA-UHFFFAOYSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1c(Cl)cnn1C ZINC000415018189 386503057 /nfs/dbraw/zinc/50/30/57/386503057.db2.gz TYJCGXZLZXEEAR-SECBINFHSA-N 1 3 244.770 1.681 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]C[C@H]1CNCCCO1 ZINC000415043955 386529702 /nfs/dbraw/zinc/52/97/02/386529702.db2.gz RSPJLMQDPIJEGR-CHWSQXEVSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000335444156 386506204 /nfs/dbraw/zinc/50/62/04/386506204.db2.gz KJPKDDDXFZRITD-SECBINFHSA-N 1 3 233.315 1.526 20 0 BDADHO C[C@@H](CCc1ccccc1F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415039299 386526088 /nfs/dbraw/zinc/52/60/88/386526088.db2.gz PEDKFVXGLYKHAK-MUYACECFSA-N 1 3 248.345 1.954 20 0 BDADHO CCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000395208753 386459898 /nfs/dbraw/zinc/45/98/98/386459898.db2.gz ZTMJAZQUZSHAJG-RYUDHWBXSA-N 1 3 241.379 1.023 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)N(C)C1CCN(C)CC1 ZINC000048221066 386577207 /nfs/dbraw/zinc/57/72/07/386577207.db2.gz MRGZFHDONWVYAC-CYBMUJFWSA-N 1 3 241.379 1.057 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCCNCC1 ZINC000415076544 386580681 /nfs/dbraw/zinc/58/06/81/386580681.db2.gz CVQWNDSKVWSBBM-CYBMUJFWSA-N 1 3 242.407 1.907 20 0 BDADHO CCN1CCCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000415076362 386581295 /nfs/dbraw/zinc/58/12/95/386581295.db2.gz GIAAQCYMMHTRQX-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415080939 386591118 /nfs/dbraw/zinc/59/11/18/386591118.db2.gz MLZIIOJBDGXAON-AVGNSLFASA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCCNCC1)[C@@H]1CCCO1 ZINC000415080939 386591122 /nfs/dbraw/zinc/59/11/22/386591122.db2.gz MLZIIOJBDGXAON-AVGNSLFASA-N 1 3 226.364 1.676 20 0 BDADHO CCCC[C@H](COC)[NH2+]C[C@@H]1CNCCCO1 ZINC000415045155 386531040 /nfs/dbraw/zinc/53/10/40/386531040.db2.gz SPTJHFXFGLEKMW-OLZOCXBDSA-N 1 3 244.379 1.160 20 0 BDADHO CC(C)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062911264 386533552 /nfs/dbraw/zinc/53/35/52/386533552.db2.gz YAAJZYXOEXTJTE-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)(C)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414789203 386536121 /nfs/dbraw/zinc/53/61/21/386536121.db2.gz XYTBQJFGHSSJJU-GFCCVEGCSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)(C)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000414789203 386536128 /nfs/dbraw/zinc/53/61/28/386536128.db2.gz XYTBQJFGHSSJJU-GFCCVEGCSA-N 1 3 240.391 1.720 20 0 BDADHO CCN1CCC([NH2+][C@H](CN)C2CCCC2)CC1 ZINC000415064499 386546166 /nfs/dbraw/zinc/54/61/66/386546166.db2.gz KUKPAMFSNNUZTH-CQSZACIVSA-N 1 3 239.407 1.578 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CN(C)C[C@@H]1C ZINC000336755832 386546824 /nfs/dbraw/zinc/54/68/24/386546824.db2.gz GNLGIAKQYNXRBD-STQMWFEESA-N 1 3 227.396 1.258 20 0 BDADHO CC[C@@H]1C[C@@H](CN[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000415070283 386550381 /nfs/dbraw/zinc/55/03/81/386550381.db2.gz QMQBTGYLVUBXHA-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO COCCC[N@H+](C)C[C@H](N)CC(C)C ZINC000062036290 386563171 /nfs/dbraw/zinc/56/31/71/386563171.db2.gz SWOSDBHXGHLPQI-LLVKDONJSA-N 1 3 202.342 1.328 20 0 BDADHO COCCC[N@@H+](C)C[C@H](N)CC(C)C ZINC000062036290 386563176 /nfs/dbraw/zinc/56/31/76/386563176.db2.gz SWOSDBHXGHLPQI-LLVKDONJSA-N 1 3 202.342 1.328 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414793103 386564442 /nfs/dbraw/zinc/56/44/42/386564442.db2.gz JUENMMQTRWRMQH-LOWDOPEQSA-N 1 3 238.375 1.517 20 0 BDADHO CCN1CCCC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000415074623 386566333 /nfs/dbraw/zinc/56/63/33/386566333.db2.gz DAOICYHHHPPGAF-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H](CC1CCOCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000415074402 386567117 /nfs/dbraw/zinc/56/71/17/386567117.db2.gz PIWRXWLEOMGGAO-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@]1(CNCCc2ccc(F)cc2)CC[NH2+]C1 ZINC000415075238 386568881 /nfs/dbraw/zinc/56/88/81/386568881.db2.gz BGWOLBRTNAWTNY-CQSZACIVSA-N 1 3 236.334 1.957 20 0 BDADHO Cc1ccc(N[C@@H]2CC[NH2+]C2)c(CN(C)C)c1 ZINC000415112071 386619749 /nfs/dbraw/zinc/61/97/49/386619749.db2.gz CSOZMSVWZWSWKU-CYBMUJFWSA-N 1 3 233.359 1.830 20 0 BDADHO C[C@H](CO)[N@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000415103779 386624141 /nfs/dbraw/zinc/62/41/41/386624141.db2.gz JYDJQHKJPHNOKJ-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](CO)[N@@H+](CC1CCC1)C[C@@H]1CCCNC1 ZINC000415103779 386624147 /nfs/dbraw/zinc/62/41/47/386624147.db2.gz JYDJQHKJPHNOKJ-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C1CNC1 ZINC000335501371 386630405 /nfs/dbraw/zinc/63/04/05/386630405.db2.gz SDFUNDPTNMOICP-HHISKICNSA-N 1 3 208.349 1.763 20 0 BDADHO CCC(CC)(CCO)C[NH2+]C[C@H]1CCCNC1 ZINC000415082447 386599454 /nfs/dbraw/zinc/59/94/54/386599454.db2.gz MAEVHQIDNHOPDC-ZDUSSCGKSA-N 1 3 242.407 1.764 20 0 BDADHO CCN1CCCC[C@H]1C[NH2+]C[C@@H](N)CC(C)C ZINC000415082010 386600014 /nfs/dbraw/zinc/60/00/14/386600014.db2.gz NQMBSOUVPKFAGY-KBPBESRZSA-N 1 3 241.423 1.824 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1CCO[C@H]1C ZINC000414801948 386603533 /nfs/dbraw/zinc/60/35/33/386603533.db2.gz AUIJRCMBYRZIAU-VHSXEESVSA-N 1 3 200.326 1.271 20 0 BDADHO NC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C1CC1 ZINC000414807332 386617060 /nfs/dbraw/zinc/61/70/60/386617060.db2.gz QXESKMIDWOPMOM-GFCCVEGCSA-N 1 3 226.270 1.792 20 0 BDADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCNC1 ZINC000415107558 386618378 /nfs/dbraw/zinc/61/83/78/386618378.db2.gz JDQCPXYZEJAKBW-OCCSQVGLSA-N 1 3 233.359 1.744 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414819945 386660273 /nfs/dbraw/zinc/66/02/73/386660273.db2.gz IRTUVLKPOBDHCU-UPJWGTAASA-N 1 3 236.363 1.249 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414819944 386660969 /nfs/dbraw/zinc/66/09/69/386660969.db2.gz IRTUVLKPOBDHCU-JHJVBQTASA-N 1 3 236.363 1.249 20 0 BDADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000428119848 386661395 /nfs/dbraw/zinc/66/13/95/386661395.db2.gz JJYALWSVTMZAJC-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCN1 ZINC000414820083 386664037 /nfs/dbraw/zinc/66/40/37/386664037.db2.gz AFHVMFKJZVFHSZ-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN1 ZINC000414820081 386666013 /nfs/dbraw/zinc/66/60/13/386666013.db2.gz AFHVMFKJZVFHSZ-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO COCC1(CC[NH2+][C@@H](C)C2CNC2)CC1 ZINC000520408390 386666962 /nfs/dbraw/zinc/66/69/62/386666962.db2.gz JYNLDSBLIWFNDJ-JTQLQIEISA-N 1 3 212.337 1.001 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000425928833 386668373 /nfs/dbraw/zinc/66/83/73/386668373.db2.gz WESTWERXZXOYMY-RDBSUJKOSA-N 1 3 242.407 1.979 20 0 BDADHO C[N@H+](CCCN1CCCC1)CC[C@@H]1CCCO1 ZINC000337240060 386672642 /nfs/dbraw/zinc/67/26/42/386672642.db2.gz GEPJXGGGYZOLBK-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[N@@H+](CCCN1CCCC1)CC[C@@H]1CCCO1 ZINC000337240060 386672648 /nfs/dbraw/zinc/67/26/48/386672648.db2.gz GEPJXGGGYZOLBK-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO Cc1cccc(C)c1CN(C)CCOCC[NH3+] ZINC000302355499 386710295 /nfs/dbraw/zinc/71/02/95/386710295.db2.gz KLGAZJDCBFXJHO-UHFFFAOYSA-N 1 3 236.359 1.711 20 0 BDADHO CC(C)C[C@H]([NH3+])CNC[C@@H](N)c1ccccc1 ZINC000414828072 386699592 /nfs/dbraw/zinc/69/95/92/386699592.db2.gz IINHLBDWSCSIHN-UONOGXRCSA-N 1 3 235.375 1.649 20 0 BDADHO CCOC[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000414836796 386731079 /nfs/dbraw/zinc/73/10/79/386731079.db2.gz GMRUVWRZUISXIJ-LLVKDONJSA-N 1 3 214.353 1.663 20 0 BDADHO CNC[C@@H](C)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000414840858 386750825 /nfs/dbraw/zinc/75/08/25/386750825.db2.gz NSCDSGUFICOAEW-SNVBAGLBSA-N 1 3 249.349 1.161 20 0 BDADHO C[NH2+]C[C@@H](C)CNC1CCN(CC(F)F)CC1 ZINC000414840858 386750831 /nfs/dbraw/zinc/75/08/31/386750831.db2.gz NSCDSGUFICOAEW-SNVBAGLBSA-N 1 3 249.349 1.161 20 0 BDADHO COCc1ccc(C[NH2+][C@H]2CNCC[C@@H]2C)cc1 ZINC000414931569 386764460 /nfs/dbraw/zinc/76/44/60/386764460.db2.gz QEJVJOARNUUMOL-WFASDCNBSA-N 1 3 248.370 1.921 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417809252 386786619 /nfs/dbraw/zinc/78/66/19/386786619.db2.gz GRNSCGATIXNZAH-QJPTWQEYSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCCC[C@H]1CN ZINC000398387936 386817906 /nfs/dbraw/zinc/81/79/06/386817906.db2.gz PRONCKDEUFUWFF-AGIUHOORSA-N 1 3 228.380 1.645 20 0 BDADHO NCC1(C[NH2+][C@@H]2CCCc3cc(N)ccc32)CC1 ZINC000414936477 386831419 /nfs/dbraw/zinc/83/14/19/386831419.db2.gz UXZDZDMTKHNFBZ-CQSZACIVSA-N 1 3 245.370 1.975 20 0 BDADHO Nc1ccc2c(c1)CCC[C@H]2NCC1(C[NH3+])CC1 ZINC000414936477 386831424 /nfs/dbraw/zinc/83/14/24/386831424.db2.gz UXZDZDMTKHNFBZ-CQSZACIVSA-N 1 3 245.370 1.975 20 0 BDADHO CS[C@H]1CC[C@@H]1NCCC[NH+](C)C ZINC000425334383 386848161 /nfs/dbraw/zinc/84/81/61/386848161.db2.gz DQLBJWVSSMNRQQ-UWVGGRQHSA-N 1 3 202.367 1.422 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000645187918 386850988 /nfs/dbraw/zinc/85/09/88/386850988.db2.gz LDQXSMMQPIDCDJ-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@]2(CCN([C@@H]3CCCOC3)C2)C1 ZINC000645187918 386850993 /nfs/dbraw/zinc/85/09/93/386850993.db2.gz LDQXSMMQPIDCDJ-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H]1CN(Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000335747857 386870598 /nfs/dbraw/zinc/87/05/98/386870598.db2.gz VSULNPLIEPXWJD-MFKMUULPSA-N 1 3 219.332 1.438 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC000331665123 386880034 /nfs/dbraw/zinc/88/00/34/386880034.db2.gz QUDVBWWNNGTRIX-SDDRHHMPSA-N 1 3 240.347 1.060 20 0 BDADHO CC[C@H](O)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331903123 386923946 /nfs/dbraw/zinc/92/39/46/386923946.db2.gz FJMLYWRIQJIRDM-SRVKXCTJSA-N 1 3 214.353 1.397 20 0 BDADHO CC1(C)CCC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000334874445 386935417 /nfs/dbraw/zinc/93/54/17/386935417.db2.gz MJSIMJRSBRFZDX-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CCN(CC)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395167287 386954669 /nfs/dbraw/zinc/95/46/69/386954669.db2.gz UUUSMQXHVWSAOB-QWHCGFSZSA-N 1 3 227.396 1.448 20 0 BDADHO CCSCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368319684 386958713 /nfs/dbraw/zinc/95/87/13/386958713.db2.gz YHRNPWBXDRYFPW-LBPRGKRZSA-N 1 3 228.405 1.767 20 0 BDADHO CCSCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368319684 386958715 /nfs/dbraw/zinc/95/87/15/386958715.db2.gz YHRNPWBXDRYFPW-LBPRGKRZSA-N 1 3 228.405 1.767 20 0 BDADHO Cc1ccsc1C[NH2+]C[C@H](N)C1CC1 ZINC000399477942 386964974 /nfs/dbraw/zinc/96/49/74/386964974.db2.gz OTLXHQNRRUAPCB-JTQLQIEISA-N 1 3 210.346 1.883 20 0 BDADHO C[C@H]1C[C@H](CN2CCOCC23CC3)CC[NH2+]1 ZINC000334882507 387025163 /nfs/dbraw/zinc/02/51/63/387025163.db2.gz NCAWYJSZACMHER-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO CC/C=C\CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766357 387070316 /nfs/dbraw/zinc/07/03/16/387070316.db2.gz NPBKERUJJDFPDD-GEXIGZQTSA-N 1 3 240.391 1.731 20 0 BDADHO C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000334994873 387086421 /nfs/dbraw/zinc/08/64/21/387086421.db2.gz VSXCLHJKXVVSFR-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000188829259 387095238 /nfs/dbraw/zinc/09/52/38/387095238.db2.gz FMKXEJQQRWZMNJ-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000188829259 387095241 /nfs/dbraw/zinc/09/52/41/387095241.db2.gz FMKXEJQQRWZMNJ-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000188829259 387095244 /nfs/dbraw/zinc/09/52/44/387095244.db2.gz FMKXEJQQRWZMNJ-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO C1C[C@@]2(CS1)CCC[N@@H+](C1CCNCC1)C2 ZINC000335010176 387104701 /nfs/dbraw/zinc/10/47/01/387104701.db2.gz PBDVOUGJKKVQIB-ZDUSSCGKSA-N 1 3 240.416 1.958 20 0 BDADHO C1C[C@@]2(CS1)CCC[N@H+](C1CCNCC1)C2 ZINC000335010176 387104704 /nfs/dbraw/zinc/10/47/04/387104704.db2.gz PBDVOUGJKKVQIB-ZDUSSCGKSA-N 1 3 240.416 1.958 20 0 BDADHO C1C[C@@]2(CS1)CCCN(C1CC[NH2+]CC1)C2 ZINC000335010176 387104711 /nfs/dbraw/zinc/10/47/11/387104711.db2.gz PBDVOUGJKKVQIB-ZDUSSCGKSA-N 1 3 240.416 1.958 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(O)CCC1 ZINC000127394470 387115853 /nfs/dbraw/zinc/11/58/53/387115853.db2.gz CBWFVSGOMJLLHQ-OLZOCXBDSA-N 1 3 240.391 1.802 20 0 BDADHO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000250454863 387124324 /nfs/dbraw/zinc/12/43/24/387124324.db2.gz WFWLODQYNNXXKN-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCCNCC1 ZINC000250454863 387124329 /nfs/dbraw/zinc/12/43/29/387124329.db2.gz WFWLODQYNNXXKN-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CCC1(CC)[C@H](NCC2C[NH2+]C2)C[C@H]1OC ZINC000423306455 387141956 /nfs/dbraw/zinc/14/19/56/387141956.db2.gz TWQYFSXZQKRYHQ-VXGBXAGGSA-N 1 3 226.364 1.389 20 0 BDADHO CCC1(CC)[C@H]([NH2+]CC2CNC2)C[C@H]1OC ZINC000423306455 387141959 /nfs/dbraw/zinc/14/19/59/387141959.db2.gz TWQYFSXZQKRYHQ-VXGBXAGGSA-N 1 3 226.364 1.389 20 0 BDADHO COc1ccc2c(c1)C[C@H](NCC1C[NH2+]C1)CC2 ZINC000423308437 387142934 /nfs/dbraw/zinc/14/29/34/387142934.db2.gz XXTRUYPBNBQITR-CQSZACIVSA-N 1 3 246.354 1.362 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]CC1CNC1)CC2 ZINC000423308437 387142939 /nfs/dbraw/zinc/14/29/39/387142939.db2.gz XXTRUYPBNBQITR-CQSZACIVSA-N 1 3 246.354 1.362 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)C12CCCC2 ZINC000423310287 387146377 /nfs/dbraw/zinc/14/63/77/387146377.db2.gz RRVOFUKMQGVRFX-JHJVBQTASA-N 1 3 240.391 1.909 20 0 BDADHO CCC[NH2+]CCN[C@H]1CN(C2CC2)C[C@H]1C ZINC000423309929 387146702 /nfs/dbraw/zinc/14/67/02/387146702.db2.gz MPHOIDWJNFUNLY-YPMHNXCESA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)C1CCSCC1 ZINC000423310919 387147730 /nfs/dbraw/zinc/14/77/30/387147730.db2.gz SPLZNCOGZIKXDQ-NXEZZACHSA-N 1 3 216.394 1.703 20 0 BDADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cccc(CO)c1 ZINC000423335389 387182810 /nfs/dbraw/zinc/18/28/10/387182810.db2.gz XGMNRZQAXXRCKR-IINYFYTJSA-N 1 3 234.343 1.567 20 0 BDADHO COCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423337263 387185560 /nfs/dbraw/zinc/18/55/60/387185560.db2.gz UBXRENGMJGCZCI-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)CN)cn1 ZINC000423302051 387134623 /nfs/dbraw/zinc/13/46/23/387134623.db2.gz GSPJTYGLZCFASY-MNOVXSKESA-N 1 3 237.347 1.206 20 0 BDADHO COc1ccc(C[C@H](C)NC[C@H](C)C[NH3+])cn1 ZINC000423302051 387134627 /nfs/dbraw/zinc/13/46/27/387134627.db2.gz GSPJTYGLZCFASY-MNOVXSKESA-N 1 3 237.347 1.206 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](COC)C1CC1 ZINC000423304792 387139557 /nfs/dbraw/zinc/13/95/57/387139557.db2.gz ZLXFBICMUSDDFC-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc2c(c1)COC2 ZINC000423304968 387140097 /nfs/dbraw/zinc/14/00/97/387140097.db2.gz ZUPYANAWIUOKKN-GHMZBOCLSA-N 1 3 234.343 1.962 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000423305033 387140569 /nfs/dbraw/zinc/14/05/69/387140569.db2.gz ZZNQAERXMFOKPV-JHJVBQTASA-N 1 3 227.396 1.576 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)[C@H](C)O1 ZINC000423356217 387208847 /nfs/dbraw/zinc/20/88/47/387208847.db2.gz JPAJQDISIGUYAO-WRWGMCAJSA-N 1 3 212.337 1.284 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000643497203 387228436 /nfs/dbraw/zinc/22/84/36/387228436.db2.gz RGMMZRXFYMNPBM-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400863 387233584 /nfs/dbraw/zinc/23/35/84/387233584.db2.gz QKXDZTYNQIFCDV-RFHZTLPTSA-N 1 3 237.391 1.057 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@@H]1C ZINC000423406243 387244555 /nfs/dbraw/zinc/24/45/55/387244555.db2.gz UMNAMUAZQCBSED-XUXIUFHCSA-N 1 3 240.391 1.779 20 0 BDADHO CSCC[N@H+](C)CC[C@H]1CCCN1C ZINC000120414428 387244729 /nfs/dbraw/zinc/24/47/29/387244729.db2.gz WLLVJBUFSGRONN-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CSCC[N@@H+](C)CC[C@H]1CCCN1C ZINC000120414428 387244731 /nfs/dbraw/zinc/24/47/31/387244731.db2.gz WLLVJBUFSGRONN-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CC(C)(C)[C@@H]1CC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423420754 387250624 /nfs/dbraw/zinc/25/06/24/387250624.db2.gz BHYFQLPRHWOXGL-ROHXPCBUSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1C(C)(C)C1(C)C ZINC000423424611 387251729 /nfs/dbraw/zinc/25/17/29/387251729.db2.gz FYMFQRBTHUZHJG-ZNSHCXBVSA-N 1 3 222.376 1.865 20 0 BDADHO CCC[C@H]([NH2+]C[C@H]1CNC[C@@H]1O)C(C)(C)C ZINC000423428867 387255080 /nfs/dbraw/zinc/25/50/80/387255080.db2.gz OPGFZOQWFDQKBQ-WOPDTQHZSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@@H](C)O1 ZINC000423382118 387266479 /nfs/dbraw/zinc/26/64/79/387266479.db2.gz JUXCQUDYIRXPQN-UEKVPHQBSA-N 1 3 246.354 1.945 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423383496 387267304 /nfs/dbraw/zinc/26/73/04/387267304.db2.gz PGPWBMCQLUOPAM-DMDPSCGWSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@@H](NCc1ccc2c(c1)CNC2)[C@@H]1CCC[NH2+]1 ZINC000423387443 387270129 /nfs/dbraw/zinc/27/01/29/387270129.db2.gz MURRADBSURACRK-ABAIWWIYSA-N 1 3 245.370 1.520 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](CC)[C@H]1CCOC1 ZINC000423393602 387278617 /nfs/dbraw/zinc/27/86/17/387278617.db2.gz YYVCWDJUGYICBW-WOPDTQHZSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000360430816 387281526 /nfs/dbraw/zinc/28/15/26/387281526.db2.gz YMRRRQJTWVKSAK-NWDGAFQWSA-N 1 3 240.391 1.874 20 0 BDADHO CCNCCC[NH2+][C@@H](C)CCCCO ZINC000643499001 387282286 /nfs/dbraw/zinc/28/22/86/387282286.db2.gz KGHUMUQHPXEWOZ-NSHDSACASA-N 1 3 202.342 1.127 20 0 BDADHO C1CCC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433053 387283832 /nfs/dbraw/zinc/28/38/32/387283832.db2.gz MUOKWVPKTHUGLV-NKTODWNOSA-N 1 3 248.370 1.142 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360437260 387284750 /nfs/dbraw/zinc/28/47/50/387284750.db2.gz LWOOIJNTKMZHGJ-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360437260 387284753 /nfs/dbraw/zinc/28/47/53/387284753.db2.gz LWOOIJNTKMZHGJ-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO C1CCC2(C1)CCC[C@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423433782 387285735 /nfs/dbraw/zinc/28/57/35/387285735.db2.gz PNAYIZNEAUVTTN-XQHKEYJVSA-N 1 3 220.360 1.907 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423480456 387290535 /nfs/dbraw/zinc/29/05/35/387290535.db2.gz VZZNYEZWONBVAB-SRVKXCTJSA-N 1 3 228.380 1.905 20 0 BDADHO CC[C@@H](C)CN1CCC([N@H+](C)CCCO)CC1 ZINC000121110639 387301698 /nfs/dbraw/zinc/30/16/98/387301698.db2.gz GVAHUHGYBRNFFE-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@@H](C)CN1CCC([N@@H+](C)CCCO)CC1 ZINC000121110639 387301707 /nfs/dbraw/zinc/30/17/07/387301707.db2.gz GVAHUHGYBRNFFE-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@H](NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473767 387318680 /nfs/dbraw/zinc/31/86/80/387318680.db2.gz OAVJSHDKHWTTNV-TUAOUCFPSA-N 1 3 236.363 1.588 20 0 BDADHO FCCC[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423458957 387305731 /nfs/dbraw/zinc/30/57/31/387305731.db2.gz QPFRBXQDQDUEEH-BNDIWNMDSA-N 1 3 226.339 1.712 20 0 BDADHO CC[C@@H](N)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423459408 387306277 /nfs/dbraw/zinc/30/62/77/387306277.db2.gz HYPXTPGJXTYYRI-ZWNOBZJWSA-N 1 3 222.332 1.567 20 0 BDADHO COC[C@H](N[C@H](C)[C@H](C)[NH3+])C1CCCC1 ZINC000423457865 387307149 /nfs/dbraw/zinc/30/71/49/387307149.db2.gz GFXCFJLBFYJXLZ-UMNHJUIQSA-N 1 3 214.353 1.517 20 0 BDADHO CC[C@@H](N)C[NH2+][C@H](CC)c1ccncc1 ZINC000423461025 387308453 /nfs/dbraw/zinc/30/84/53/387308453.db2.gz JFWPRIOTGZOPLA-VXGBXAGGSA-N 1 3 207.321 1.860 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[NH2+]C(C)C ZINC000514930520 387308529 /nfs/dbraw/zinc/30/85/29/387308529.db2.gz MYILGEFBWFGTNO-WDEREUQCSA-N 1 3 202.342 1.388 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643501846 387354545 /nfs/dbraw/zinc/35/45/45/387354545.db2.gz QZRPMHCQYGYWBU-YRGRVCCFSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423527395 387355791 /nfs/dbraw/zinc/35/57/91/387355791.db2.gz MGOLYCMTPQGMOS-RISCZKNCSA-N 1 3 237.391 1.201 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)CCO1 ZINC000423541642 387365230 /nfs/dbraw/zinc/36/52/30/387365230.db2.gz FSORKFKMSJTUTM-LOWDOPEQSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](NC[C@@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453703 387371671 /nfs/dbraw/zinc/37/16/71/387371671.db2.gz UEHLVSOJXBCBKL-PWSUYJOCSA-N 1 3 216.328 1.524 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CNC1 ZINC000643453703 387371674 /nfs/dbraw/zinc/37/16/74/387371674.db2.gz UEHLVSOJXBCBKL-PWSUYJOCSA-N 1 3 216.328 1.524 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000423554126 387372457 /nfs/dbraw/zinc/37/24/57/387372457.db2.gz LBCIRYMMECJNSO-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)CN1C1CC1 ZINC000423553663 387373123 /nfs/dbraw/zinc/37/31/23/387373123.db2.gz KQNYHZJUQCXYLN-JHJVBQTASA-N 1 3 237.391 1.343 20 0 BDADHO Cc1cc(CN[C@H]2CCC[C@H]2C[NH3+])cc(C)n1 ZINC000423561314 387374745 /nfs/dbraw/zinc/37/47/45/387374745.db2.gz VSFZWIWJQAWKMK-KBPBESRZSA-N 1 3 233.359 1.915 20 0 BDADHO CC[C@H](C)[C@@H](CN[C@H](C)CC[NH+](C)C)OC ZINC000648659530 387378380 /nfs/dbraw/zinc/37/83/80/387378380.db2.gz SRCJTMMARXDSGP-YNEHKIRRSA-N 1 3 230.396 1.977 20 0 BDADHO CC[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423572638 387379155 /nfs/dbraw/zinc/37/91/55/387379155.db2.gz YMQRESVQEGRMPD-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423571993 387379779 /nfs/dbraw/zinc/37/97/79/387379779.db2.gz YAQQMXBUPYFJRJ-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423473758 387320328 /nfs/dbraw/zinc/32/03/28/387320328.db2.gz QVXJDTOPYYFKRQ-HHHUOAJASA-N 1 3 224.348 1.269 20 0 BDADHO C[C@@H](N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462911 387322400 /nfs/dbraw/zinc/32/24/00/387322400.db2.gz YFGKGOTXMRPPDA-XBFCOCLRSA-N 1 3 237.391 1.201 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCCCO)CC1 ZINC000372951899 387335757 /nfs/dbraw/zinc/33/57/57/387335757.db2.gz GFMBHRIZQPNUJS-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCCCO)CC1 ZINC000372951899 387335761 /nfs/dbraw/zinc/33/57/61/387335761.db2.gz GFMBHRIZQPNUJS-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCCCO)CC1 ZINC000372951899 387335766 /nfs/dbraw/zinc/33/57/66/387335766.db2.gz GFMBHRIZQPNUJS-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CC[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498124 387338169 /nfs/dbraw/zinc/33/81/69/387338169.db2.gz GMEOBVPDCMTGFU-WOPDTQHZSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423511465 387348739 /nfs/dbraw/zinc/34/87/39/387348739.db2.gz TUMVBHPSWFCNCG-MVWJERBFSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)CN(C)C ZINC000309813161 387353100 /nfs/dbraw/zinc/35/31/00/387353100.db2.gz ZSISRTLQAFTQMU-FVCCEPFGSA-N 1 3 228.380 1.730 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643501843 387353918 /nfs/dbraw/zinc/35/39/18/387353918.db2.gz QZRPMHCQYGYWBU-BZPMIXESSA-N 1 3 237.391 1.201 20 0 BDADHO COCCC[C@@H](C)NCC[NH2+]C1CC1 ZINC000643506743 387459902 /nfs/dbraw/zinc/45/99/02/387459902.db2.gz HEZJNNWOSYLZHH-SNVBAGLBSA-N 1 3 200.326 1.143 20 0 BDADHO Cn1ncc2ccc(C[NH2+][C@H]3CCC[C@H]3N)cc21 ZINC000515634234 387404673 /nfs/dbraw/zinc/40/46/73/387404673.db2.gz TVBQFEMSHJDSBF-OLZOCXBDSA-N 1 3 244.342 1.543 20 0 BDADHO CC1(C)C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000396823011 387494166 /nfs/dbraw/zinc/49/41/66/387494166.db2.gz AHBCUGULRVGCKX-NEPJUHHUSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000396823011 387494172 /nfs/dbraw/zinc/49/41/72/387494172.db2.gz AHBCUGULRVGCKX-NEPJUHHUSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CO1 ZINC000396841606 387501092 /nfs/dbraw/zinc/50/10/92/387501092.db2.gz HXGYJXVASMDDFT-AVGNSLFASA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CO1 ZINC000396841606 387501095 /nfs/dbraw/zinc/50/10/95/387501095.db2.gz HXGYJXVASMDDFT-AVGNSLFASA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1COC(C)(C)C1 ZINC000396819760 387501760 /nfs/dbraw/zinc/50/17/60/387501760.db2.gz JGZOUDRWVDAXKR-GHMZBOCLSA-N 1 3 214.353 1.484 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396875270 387507427 /nfs/dbraw/zinc/50/74/27/387507427.db2.gz IDYSRUKDVUCKCJ-LBPRGKRZSA-N 1 3 228.380 1.874 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643475479 387508741 /nfs/dbraw/zinc/50/87/41/387508741.db2.gz YDIFFDUMNJPNOT-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000643475346 387509259 /nfs/dbraw/zinc/50/92/59/387509259.db2.gz JDMUGOPPIQHIOC-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+]C1CCN(CC)CC1 ZINC000355319402 387519313 /nfs/dbraw/zinc/51/93/13/387519313.db2.gz RHEASCVEXATOEH-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO CC(C)C[C@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000396979270 387525808 /nfs/dbraw/zinc/52/58/08/387525808.db2.gz SBWDSHKBEJWIAI-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)C[C@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000396979270 387525809 /nfs/dbraw/zinc/52/58/09/387525809.db2.gz SBWDSHKBEJWIAI-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H](NCCN1CCCCCC1)[C@H]1CCC[NH2+]1 ZINC000400704791 387534520 /nfs/dbraw/zinc/53/45/20/387534520.db2.gz KQLLEOLCZGBVOZ-UONOGXRCSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@H](C[NH2+][C@H](C)CC1CCOCC1)CN(C)C ZINC000425948680 387534836 /nfs/dbraw/zinc/53/48/36/387534836.db2.gz DOYIYNGTFSNHDL-CHWSQXEVSA-N 1 3 242.407 1.979 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000375851000 387587879 /nfs/dbraw/zinc/58/78/79/387587879.db2.gz KJUVZUYVYPQCMD-BFHYXJOUSA-N 1 3 239.407 1.401 20 0 BDADHO CO[C@H]1CCC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000643515698 387609196 /nfs/dbraw/zinc/60/91/96/387609196.db2.gz RGMMZRXFYMNPBM-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO COC[C@@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422699781 387616094 /nfs/dbraw/zinc/61/60/94/387616094.db2.gz FFKBMRBVGSSJLW-SRVKXCTJSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](Cc1ccsc1)NCC1C[NH2+]C1 ZINC000643516037 387619960 /nfs/dbraw/zinc/61/99/60/387619960.db2.gz QZPYZXNXXZVYIY-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO C[C@H](Cc1ccsc1)[NH2+]CC1CNC1 ZINC000643516037 387619962 /nfs/dbraw/zinc/61/99/62/387619962.db2.gz QZPYZXNXXZVYIY-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H](C)C[C@H](C)[NH3+] ZINC000422706624 387620143 /nfs/dbraw/zinc/62/01/43/387620143.db2.gz FNPZVIMJYIDTGH-UKKRHICBSA-N 1 3 202.342 1.109 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC1(O)CCCC1 ZINC000305652674 387624153 /nfs/dbraw/zinc/62/41/53/387624153.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC1(O)CCCC1 ZINC000305652674 387624157 /nfs/dbraw/zinc/62/41/57/387624157.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)CC1(O)CCCC1 ZINC000305652674 387624159 /nfs/dbraw/zinc/62/41/59/387624159.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)CC1(O)CCCC1 ZINC000305652674 387624163 /nfs/dbraw/zinc/62/41/63/387624163.db2.gz UXSFOKRVICVSPO-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CCN(C)CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000356223393 387629701 /nfs/dbraw/zinc/62/97/01/387629701.db2.gz NZSPQGJEKAHINY-LLVKDONJSA-N 1 3 243.395 1.221 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCOC1 ZINC000397150591 387545484 /nfs/dbraw/zinc/54/54/84/387545484.db2.gz LVJCQJXGQUCLKX-JHJVBQTASA-N 1 3 226.364 1.520 20 0 BDADHO CC(C)CCOCCN[C@](C)(C[NH3+])C1CC1 ZINC000430555595 387627750 /nfs/dbraw/zinc/62/77/50/387627750.db2.gz JADKXVPQMVAOOZ-CYBMUJFWSA-N 1 3 228.380 1.766 20 0 BDADHO CC[C@@H](NCCN(C)CC)[C@H]1CCCC[NH2+]1 ZINC000422716809 387627950 /nfs/dbraw/zinc/62/79/50/387627950.db2.gz NXEXZOUMPJPEIV-CHWSQXEVSA-N 1 3 227.396 1.448 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704660 387631268 /nfs/dbraw/zinc/63/12/68/387631268.db2.gz XQIIPCANZNQTKP-CHWSQXEVSA-N 1 3 242.407 1.810 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704660 387631272 /nfs/dbraw/zinc/63/12/72/387631272.db2.gz XQIIPCANZNQTKP-CHWSQXEVSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(N(C)C)c1 ZINC000422721154 387633076 /nfs/dbraw/zinc/63/30/76/387633076.db2.gz UTFNKXSCDTVPAD-NEPJUHHUSA-N 1 3 235.375 1.968 20 0 BDADHO CC[C@@H](NCCN(C)CC)[C@@H]1CCC[NH2+]1 ZINC000422723031 387634166 /nfs/dbraw/zinc/63/41/66/387634166.db2.gz ZLBAYJCPPGRCHZ-NEPJUHHUSA-N 1 3 213.369 1.058 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422728416 387638454 /nfs/dbraw/zinc/63/84/54/387638454.db2.gz GHLOEUQKDSDJNK-QJPTWQEYSA-N 1 3 214.353 1.374 20 0 BDADHO C[NH2+]CCCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000422734223 387644069 /nfs/dbraw/zinc/64/40/69/387644069.db2.gz SLEINZCULAHMRJ-LBPRGKRZSA-N 1 3 241.379 1.010 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430729111 387644636 /nfs/dbraw/zinc/64/46/36/387644636.db2.gz FGASFDFLWFKKRH-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccccc1 ZINC000422740591 387648217 /nfs/dbraw/zinc/64/82/17/387648217.db2.gz CBNMVLLNFLRMAR-NWANDNLSSA-N 1 3 248.370 1.571 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccccc1 ZINC000422740591 387648222 /nfs/dbraw/zinc/64/82/22/387648222.db2.gz CBNMVLLNFLRMAR-NWANDNLSSA-N 1 3 248.370 1.571 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccccc1 ZINC000422748163 387652882 /nfs/dbraw/zinc/65/28/82/387652882.db2.gz SHCUHOUMYXMPQV-UBHSHLNASA-N 1 3 234.343 1.529 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCO1 ZINC000422748975 387653686 /nfs/dbraw/zinc/65/36/86/387653686.db2.gz WXQAPKIGNZUZBM-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000422748975 387653689 /nfs/dbraw/zinc/65/36/89/387653689.db2.gz WXQAPKIGNZUZBM-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)OCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422762444 387662298 /nfs/dbraw/zinc/66/22/98/387662298.db2.gz NQMUMZUNQIOCHG-MNOVXSKESA-N 1 3 202.342 1.517 20 0 BDADHO COc1ccccc1CCN[C@H](C)C1C[NH2+]C1 ZINC000422765113 387665181 /nfs/dbraw/zinc/66/51/81/387665181.db2.gz QFGFMYVMPBMPIT-LLVKDONJSA-N 1 3 234.343 1.435 20 0 BDADHO COc1ccccc1CC[NH2+][C@H](C)C1CNC1 ZINC000422765113 387665185 /nfs/dbraw/zinc/66/51/85/387665185.db2.gz QFGFMYVMPBMPIT-LLVKDONJSA-N 1 3 234.343 1.435 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOC1CCCC1 ZINC000422766514 387668683 /nfs/dbraw/zinc/66/86/83/387668683.db2.gz QEMYJKZVBHXPLE-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780024 387677534 /nfs/dbraw/zinc/67/75/34/387677534.db2.gz JQUWIKLDBGNAIU-KGYLQXTDSA-N 1 3 238.375 1.532 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)C2CNC2)C12CCC2 ZINC000422780024 387677538 /nfs/dbraw/zinc/67/75/38/387677538.db2.gz JQUWIKLDBGNAIU-KGYLQXTDSA-N 1 3 238.375 1.532 20 0 BDADHO COC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)C(C)C ZINC000422781693 387681117 /nfs/dbraw/zinc/68/11/17/387681117.db2.gz MILHXGWNGFLXJQ-AGIUHOORSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000422781693 387681120 /nfs/dbraw/zinc/68/11/20/387681120.db2.gz MILHXGWNGFLXJQ-AGIUHOORSA-N 1 3 228.380 1.635 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000422783238 387684545 /nfs/dbraw/zinc/68/45/45/387684545.db2.gz NWSCSZMDDAZADP-NWBUJAPZSA-N 1 3 240.391 1.905 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786762 387686273 /nfs/dbraw/zinc/68/62/73/387686273.db2.gz QQZJEJWYXIJEDV-SYCZCVCYSA-N 1 3 238.375 1.410 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)N(C)C1CC1 ZINC000422743903 387689958 /nfs/dbraw/zinc/68/99/58/387689958.db2.gz SDDZISNOVSUJHI-BNOWGMLFSA-N 1 3 239.407 1.719 20 0 BDADHO CC[C@H](NC[C@H](C)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422743535 387690645 /nfs/dbraw/zinc/69/06/45/387690645.db2.gz RQRNQHIFNPKYEI-SRVKXCTJSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@@H]1[C@@H](C)N(CC[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000356968006 387756184 /nfs/dbraw/zinc/75/61/84/387756184.db2.gz AUUAIVGEVCUQSH-MCIONIFRSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1[C@@H](C)N(CC[C@@H]2CCC[N@H+]2C)CCN1C ZINC000356968006 387756187 /nfs/dbraw/zinc/75/61/87/387756187.db2.gz AUUAIVGEVCUQSH-MCIONIFRSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CCCN(CCN[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422864850 387747207 /nfs/dbraw/zinc/74/72/07/387747207.db2.gz WMCXWQYLFNHDIO-MGPQQGTHSA-N 1 3 239.407 1.306 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000422869797 387748457 /nfs/dbraw/zinc/74/84/57/387748457.db2.gz YATXJORIZGMFBL-UPJWGTAASA-N 1 3 239.407 1.304 20 0 BDADHO COc1ccc(CC[C@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643526250 387748734 /nfs/dbraw/zinc/74/87/34/387748734.db2.gz WDKDUQJFKYKHDV-RYUDHWBXSA-N 1 3 236.359 1.953 20 0 BDADHO C[C@@H]([NH3+])CN[C@@H]1CCc2ccccc2C1 ZINC000643526187 387748749 /nfs/dbraw/zinc/74/87/49/387748749.db2.gz SERSRVNBLGIYGY-ZWNOBZJWSA-N 1 3 204.317 1.481 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCCNCC1 ZINC000422899164 387749225 /nfs/dbraw/zinc/74/92/25/387749225.db2.gz GVSNLMOBLCZDRF-UPJWGTAASA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422868173 387749836 /nfs/dbraw/zinc/74/98/36/387749836.db2.gz UNGZQNWPYMNSAN-YNEHKIRRSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCC[C@@H](C)C1 ZINC000422868274 387750410 /nfs/dbraw/zinc/75/04/10/387750410.db2.gz UTCMOWBVFJMMON-AGIUHOORSA-N 1 3 227.396 1.434 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1(CCO)CCCC1 ZINC000422802693 387701452 /nfs/dbraw/zinc/70/14/52/387701452.db2.gz BSGKIDMWPWDWQU-STQMWFEESA-N 1 3 240.391 1.517 20 0 BDADHO CO[C@@H](CN[C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000422806313 387705671 /nfs/dbraw/zinc/70/56/71/387705671.db2.gz HXZHHNAMTWPABU-ONGXEEELSA-N 1 3 214.353 1.245 20 0 BDADHO CO[C@@H](C[NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000422806313 387705675 /nfs/dbraw/zinc/70/56/75/387705675.db2.gz HXZHHNAMTWPABU-ONGXEEELSA-N 1 3 214.353 1.245 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000422810910 387707494 /nfs/dbraw/zinc/70/74/94/387707494.db2.gz UYFCIKKECAVSQV-KGLIPLIRSA-N 1 3 247.342 1.614 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@@H](C)C[C@H](C)N ZINC000422813076 387712140 /nfs/dbraw/zinc/71/21/40/387712140.db2.gz RKBFOGPGALYIJU-RYUDHWBXSA-N 1 3 230.396 1.891 20 0 BDADHO CC(C)C[C@@H](CN[C@H](C)C1C[NH2+]C1)N(C)C ZINC000422817387 387713961 /nfs/dbraw/zinc/71/39/61/387713961.db2.gz HMQFPQWNXHZHQT-YPMHNXCESA-N 1 3 227.396 1.160 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422814781 387714389 /nfs/dbraw/zinc/71/43/89/387714389.db2.gz WBMPQYICCJVQIP-KGLIPLIRSA-N 1 3 239.407 1.722 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CCCCC1 ZINC000422814781 387714393 /nfs/dbraw/zinc/71/43/93/387714393.db2.gz WBMPQYICCJVQIP-KGLIPLIRSA-N 1 3 239.407 1.722 20 0 BDADHO CCC(CC)(CCO)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422814674 387715023 /nfs/dbraw/zinc/71/50/23/387715023.db2.gz VWLMGXNAVRDEHA-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1cccnc1 ZINC000422830040 387722696 /nfs/dbraw/zinc/72/26/96/387722696.db2.gz QPJDILKVZPUTLE-OCCSQVGLSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000422830040 387722699 /nfs/dbraw/zinc/72/26/99/387722699.db2.gz QPJDILKVZPUTLE-OCCSQVGLSA-N 1 3 233.359 1.602 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422828114 387724306 /nfs/dbraw/zinc/72/43/06/387724306.db2.gz SVVDCGCXIUNUDV-KBPBESRZSA-N 1 3 241.423 1.968 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000643523201 387725332 /nfs/dbraw/zinc/72/53/32/387725332.db2.gz XLTYNTNXPSOLHH-UONOGXRCSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@@H](N[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523201 387725335 /nfs/dbraw/zinc/72/53/35/387725335.db2.gz XLTYNTNXPSOLHH-UONOGXRCSA-N 1 3 240.391 1.923 20 0 BDADHO COC1CCC(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000422836943 387728120 /nfs/dbraw/zinc/72/81/20/387728120.db2.gz LAPIXOROGSYFQF-YIOUJQMASA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](NCCc1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000422841244 387730880 /nfs/dbraw/zinc/73/08/80/387730880.db2.gz CSKFCVFODKMTQN-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO C[C@H]([NH2+]CCc1cc(F)cc(F)c1)C1CNC1 ZINC000422841244 387730885 /nfs/dbraw/zinc/73/08/85/387730885.db2.gz CSKFCVFODKMTQN-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO c1cn(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128004483 387731214 /nfs/dbraw/zinc/73/12/14/387731214.db2.gz ORZJBZHPQSLSCB-QWHCGFSZSA-N 1 3 234.347 1.100 20 0 BDADHO c1cn(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128004483 387731221 /nfs/dbraw/zinc/73/12/21/387731221.db2.gz ORZJBZHPQSLSCB-QWHCGFSZSA-N 1 3 234.347 1.100 20 0 BDADHO c1cn(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128004254 387731614 /nfs/dbraw/zinc/73/16/14/387731614.db2.gz ORZJBZHPQSLSCB-CHWSQXEVSA-N 1 3 234.347 1.100 20 0 BDADHO c1cn(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128004254 387731621 /nfs/dbraw/zinc/73/16/21/387731621.db2.gz ORZJBZHPQSLSCB-CHWSQXEVSA-N 1 3 234.347 1.100 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128029394 387735909 /nfs/dbraw/zinc/73/59/09/387735909.db2.gz HHZSKLWNHDFVEZ-ZIAGYGMSSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128029394 387735914 /nfs/dbraw/zinc/73/59/14/387735914.db2.gz HHZSKLWNHDFVEZ-ZIAGYGMSSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCCC[C@H]1C ZINC000422852723 387737562 /nfs/dbraw/zinc/73/75/62/387737562.db2.gz BCBDZBZELMODKG-AAVRWANBSA-N 1 3 239.407 1.719 20 0 BDADHO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000422857806 387740700 /nfs/dbraw/zinc/74/07/00/387740700.db2.gz HXYWABPUPVJNIJ-FRRDWIJNSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H](CCc1ccco1)N[C@@H](C)C1C[NH2+]C1 ZINC000422961936 387811833 /nfs/dbraw/zinc/81/18/33/387811833.db2.gz DJYZAFODYIEFNC-QWRGUYRKSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@@H](CCc1ccco1)[NH2+][C@@H](C)C1CNC1 ZINC000422961936 387811838 /nfs/dbraw/zinc/81/18/38/387811838.db2.gz DJYZAFODYIEFNC-QWRGUYRKSA-N 1 3 222.332 1.798 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H](C)[NH3+])C12CCCC2 ZINC000643527158 387764342 /nfs/dbraw/zinc/76/43/42/387764342.db2.gz KFVSNHAONOYAKJ-GRYCIOLGSA-N 1 3 226.364 1.661 20 0 BDADHO CCC1(CC)[C@H](NC[C@H](C)[NH3+])C[C@@H]1OC ZINC000643527507 387764853 /nfs/dbraw/zinc/76/48/53/387764853.db2.gz NTPHGAGCTSAXLZ-AXFHLTTASA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc2c(c1)CCC(=O)N2 ZINC000643528220 387767290 /nfs/dbraw/zinc/76/72/90/387767290.db2.gz FPEXICQXYGSMJY-VHSXEESVSA-N 1 3 247.342 1.569 20 0 BDADHO CC(C)[C@@H]([NH2+]C[C@@H](C)N)c1cccnc1 ZINC000643528656 387769172 /nfs/dbraw/zinc/76/91/72/387769172.db2.gz MOIVNLDIDXREIM-ZYHUDNBSSA-N 1 3 207.321 1.716 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000643528921 387772274 /nfs/dbraw/zinc/77/22/74/387772274.db2.gz QVJVRDCYEFOLPG-IPYPFGDCSA-N 1 3 247.386 1.444 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000643528921 387772279 /nfs/dbraw/zinc/77/22/79/387772279.db2.gz QVJVRDCYEFOLPG-IPYPFGDCSA-N 1 3 247.386 1.444 20 0 BDADHO Cc1cccc(NCCN[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000422917481 387772824 /nfs/dbraw/zinc/77/28/24/387772824.db2.gz FASDECYBRFAHMX-PWSUYJOCSA-N 1 3 236.363 1.517 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H](C)N)C1 ZINC000643528161 387774021 /nfs/dbraw/zinc/77/40/21/387774021.db2.gz DTJWBSYKRXWURU-GZBFAFLISA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H](NC[C@H](C)[NH3+])C1 ZINC000643528161 387774025 /nfs/dbraw/zinc/77/40/25/387774025.db2.gz DTJWBSYKRXWURU-GZBFAFLISA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422919081 387776384 /nfs/dbraw/zinc/77/63/84/387776384.db2.gz JCVKUIVSMMOBGV-GARJFASQSA-N 1 3 241.379 1.101 20 0 BDADHO C[C@@H]([NH3+])CN[C@H]1CCCc2ccccc2C1 ZINC000643529676 387776657 /nfs/dbraw/zinc/77/66/57/387776657.db2.gz LPWGKVHBZXPBJV-RISCZKNCSA-N 1 3 218.344 1.871 20 0 BDADHO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422928205 387779713 /nfs/dbraw/zinc/77/97/13/387779713.db2.gz JMUMVJKXJPPXIS-UONOGXRCSA-N 1 3 234.343 1.843 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOCC(F)(F)F ZINC000422931557 387780919 /nfs/dbraw/zinc/78/09/19/387780919.db2.gz XUOCWPFABBTSIQ-SFYZADRCSA-N 1 3 228.258 1.281 20 0 BDADHO CCCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422932516 387781500 /nfs/dbraw/zinc/78/15/00/387781500.db2.gz ZITDCBXMLWGBHF-YNEHKIRRSA-N 1 3 240.391 1.909 20 0 BDADHO CCC1(CC)[C@H](N[C@@H](C)C2C[NH2+]C2)C[C@H]1OC ZINC000422938008 387783026 /nfs/dbraw/zinc/78/30/26/387783026.db2.gz KLXGQNUEUPTVQU-CYZMBNFOSA-N 1 3 240.391 1.778 20 0 BDADHO CCC1(CC)[C@H]([NH2+][C@@H](C)C2CNC2)C[C@H]1OC ZINC000422938008 387783031 /nfs/dbraw/zinc/78/30/31/387783031.db2.gz KLXGQNUEUPTVQU-CYZMBNFOSA-N 1 3 240.391 1.778 20 0 BDADHO CCOCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422902167 387787376 /nfs/dbraw/zinc/78/73/76/387787376.db2.gz TXNAAWZBKFVTDT-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCSCCCO ZINC000422981247 387790821 /nfs/dbraw/zinc/79/08/21/387790821.db2.gz SJNBOTRAXCGDLB-VXGBXAGGSA-N 1 3 246.420 1.080 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCSCCCO ZINC000422981247 387790824 /nfs/dbraw/zinc/79/08/24/387790824.db2.gz SJNBOTRAXCGDLB-VXGBXAGGSA-N 1 3 246.420 1.080 20 0 BDADHO CCC[C@](C)(O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422979929 387792312 /nfs/dbraw/zinc/79/23/12/387792312.db2.gz NWODOTDTLBAIEK-HNGCFSAESA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(O)CCC1 ZINC000422982741 387793786 /nfs/dbraw/zinc/79/37/86/387793786.db2.gz XUAAHEKXQDVHQP-GXTWGEPZSA-N 1 3 248.370 1.450 20 0 BDADHO OCCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000157449453 387796102 /nfs/dbraw/zinc/79/61/02/387796102.db2.gz RDLVTIBAYQNYFY-STQMWFEESA-N 1 3 238.375 1.365 20 0 BDADHO OCCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000157449453 387796108 /nfs/dbraw/zinc/79/61/08/387796108.db2.gz RDLVTIBAYQNYFY-STQMWFEESA-N 1 3 238.375 1.365 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000422989459 387797361 /nfs/dbraw/zinc/79/73/61/387797361.db2.gz LWGSGAPOYPQTGE-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ncccc1F ZINC000422992979 387799327 /nfs/dbraw/zinc/79/93/27/387799327.db2.gz DQWARZQNWQHSEY-VHSXEESVSA-N 1 3 241.310 1.315 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](CO)c1ccccc1 ZINC000422990083 387800163 /nfs/dbraw/zinc/80/01/63/387800163.db2.gz BMLJZXDLNDJQGA-OUCADQQQSA-N 1 3 236.359 1.478 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](CO)c1ccccc1 ZINC000422990083 387800170 /nfs/dbraw/zinc/80/01/70/387800170.db2.gz BMLJZXDLNDJQGA-OUCADQQQSA-N 1 3 236.359 1.478 20 0 BDADHO CCOc1cccc(CC[NH2+]C2CCNCC2)c1 ZINC000422993316 387801921 /nfs/dbraw/zinc/80/19/21/387801921.db2.gz FLGSKQWIKLVPDW-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO CCOc1cccc(CCNC2CC[NH2+]CC2)c1 ZINC000422993316 387801926 /nfs/dbraw/zinc/80/19/26/387801926.db2.gz FLGSKQWIKLVPDW-UHFFFAOYSA-N 1 3 248.370 1.969 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CCOC)C1 ZINC000151135230 387802945 /nfs/dbraw/zinc/80/29/45/387802945.db2.gz PUFMRCOLNBXLQX-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)n1 ZINC000423001247 387804083 /nfs/dbraw/zinc/80/40/83/387804083.db2.gz DIRYEWOYXIIZGY-DGCLKSJQSA-N 1 3 249.358 1.350 20 0 BDADHO COc1cccc(CCN[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423001247 387804086 /nfs/dbraw/zinc/80/40/86/387804086.db2.gz DIRYEWOYXIIZGY-DGCLKSJQSA-N 1 3 249.358 1.350 20 0 BDADHO CC[C@H](NC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422998011 387804152 /nfs/dbraw/zinc/80/41/52/387804152.db2.gz VYIDRRVIRZWOHF-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCN1 ZINC000422998011 387804158 /nfs/dbraw/zinc/80/41/58/387804158.db2.gz VYIDRRVIRZWOHF-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000422999798 387805753 /nfs/dbraw/zinc/80/57/53/387805753.db2.gz YLGKIUNACRPLDV-GHMZBOCLSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)C1CNC1 ZINC000423001532 387805952 /nfs/dbraw/zinc/80/59/52/387805952.db2.gz DVHOBCQRAGWRFQ-FZMZJTMJSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002479 387807073 /nfs/dbraw/zinc/80/70/73/387807073.db2.gz JJGLJWVPFKGBMD-QWRGUYRKSA-N 1 3 246.358 1.821 20 0 BDADHO CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@H](C)N ZINC000422954869 387809563 /nfs/dbraw/zinc/80/95/63/387809563.db2.gz IIIQXQVPTLQZHI-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@@H](N[C@@H](C)CCc1ccco1)C1C[NH2+]C1 ZINC000422961937 387810866 /nfs/dbraw/zinc/81/08/66/387810866.db2.gz DJYZAFODYIEFNC-WDEREUQCSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)CCc1ccco1)C1CNC1 ZINC000422961937 387810867 /nfs/dbraw/zinc/81/08/67/387810867.db2.gz DJYZAFODYIEFNC-WDEREUQCSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882297 387757512 /nfs/dbraw/zinc/75/75/12/387757512.db2.gz ZWPKZVNPPSAFJH-IPNSXDPFSA-N 1 3 249.402 1.342 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887637 387760379 /nfs/dbraw/zinc/76/03/79/387760379.db2.gz LDBZJGHUGZUBTD-VJTDZRGJSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCCN1 ZINC000422887637 387760382 /nfs/dbraw/zinc/76/03/82/387760382.db2.gz LDBZJGHUGZUBTD-VJTDZRGJSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOCC1CC1 ZINC000422888311 387760678 /nfs/dbraw/zinc/76/06/78/387760678.db2.gz MOCGFPYGUVJNAI-UWVGGRQHSA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)[NH2+]CCCN[C@H](C)[C@H]1CCCO1 ZINC000564074291 387820372 /nfs/dbraw/zinc/82/03/72/387820372.db2.gz RQDYPUSQSAGJBG-VXGBXAGGSA-N 1 3 214.353 1.532 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422972618 387821518 /nfs/dbraw/zinc/82/15/18/387821518.db2.gz AATUPBSKVCDZBU-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1c[nH]c2ncccc12 ZINC000423005605 387829683 /nfs/dbraw/zinc/82/96/83/387829683.db2.gz SKYLTZIALDKPDY-OLZOCXBDSA-N 1 3 244.342 1.575 20 0 BDADHO CC(C)CSCCC[NH2+][C@@H](C)C1CNC1 ZINC000423009009 387830627 /nfs/dbraw/zinc/83/06/27/387830627.db2.gz BNPCFRFKONBQJW-NSHDSACASA-N 1 3 230.421 1.963 20 0 BDADHO CC(C)CSCCCN[C@@H](C)C1C[NH2+]C1 ZINC000423009009 387830635 /nfs/dbraw/zinc/83/06/35/387830635.db2.gz BNPCFRFKONBQJW-NSHDSACASA-N 1 3 230.421 1.963 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000423008675 387830714 /nfs/dbraw/zinc/83/07/14/387830714.db2.gz TZHRJEJEEVCZLD-ZNMIVQPWSA-N 1 3 248.370 1.480 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](CO)c1ccccc1 ZINC000423008675 387830718 /nfs/dbraw/zinc/83/07/18/387830718.db2.gz TZHRJEJEEVCZLD-ZNMIVQPWSA-N 1 3 248.370 1.480 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423011337 387833119 /nfs/dbraw/zinc/83/31/19/387833119.db2.gz IQIOMKMACSITBD-YIZRAAEISA-N 1 3 240.269 1.017 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNc1ccccn1 ZINC000423009633 387833139 /nfs/dbraw/zinc/83/31/39/387833139.db2.gz WBYIAJVCMMKAHR-NEPJUHHUSA-N 1 3 234.347 1.211 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423009633 387833143 /nfs/dbraw/zinc/83/31/43/387833143.db2.gz WBYIAJVCMMKAHR-NEPJUHHUSA-N 1 3 234.347 1.211 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCN(C)c1ccccc1 ZINC000442765896 387834832 /nfs/dbraw/zinc/83/48/32/387834832.db2.gz KATQLMUJOFGHAI-ZIAGYGMSSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765896 387834834 /nfs/dbraw/zinc/83/48/34/387834834.db2.gz KATQLMUJOFGHAI-ZIAGYGMSSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCN(C)c1ccccc1 ZINC000442765896 387834836 /nfs/dbraw/zinc/83/48/36/387834836.db2.gz KATQLMUJOFGHAI-ZIAGYGMSSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423013346 387835643 /nfs/dbraw/zinc/83/56/43/387835643.db2.gz MQVMORXUNZLODG-XQQFMLRXSA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@H](NC[C@H]1CCC[C@@H]1OC)[C@@H]1CCC[NH2+]1 ZINC000423012873 387836234 /nfs/dbraw/zinc/83/62/34/387836234.db2.gz DWKSGXCJXDHVCK-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)[C@@H]1CCCN1 ZINC000423012873 387836238 /nfs/dbraw/zinc/83/62/38/387836238.db2.gz DWKSGXCJXDHVCK-RFGFWPKPSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](NCCSCC(F)(F)F)C1C[NH2+]C1 ZINC000423013183 387836727 /nfs/dbraw/zinc/83/67/27/387836727.db2.gz FJQNPMMZCUFMTG-SSDOTTSWSA-N 1 3 242.310 1.479 20 0 BDADHO C[C@@H]([NH2+]CCSCC(F)(F)F)C1CNC1 ZINC000423013183 387836729 /nfs/dbraw/zinc/83/67/29/387836729.db2.gz FJQNPMMZCUFMTG-SSDOTTSWSA-N 1 3 242.310 1.479 20 0 BDADHO CO[C@@H]1CCC[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013154 387836817 /nfs/dbraw/zinc/83/68/17/387836817.db2.gz FFENVEBAYRSRKQ-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1ccsc1CCN[C@H](C)C1C[NH2+]C1 ZINC000423015838 387838377 /nfs/dbraw/zinc/83/83/77/387838377.db2.gz LKDSSVULQOYWQC-SNVBAGLBSA-N 1 3 224.373 1.797 20 0 BDADHO Cc1ccsc1CC[NH2+][C@H](C)C1CNC1 ZINC000423015838 387838382 /nfs/dbraw/zinc/83/83/82/387838382.db2.gz LKDSSVULQOYWQC-SNVBAGLBSA-N 1 3 224.373 1.797 20 0 BDADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423075653 387873569 /nfs/dbraw/zinc/87/35/69/387873569.db2.gz XINXIGMGFRDVIR-GNRIBBGQSA-N 1 3 240.391 1.909 20 0 BDADHO CC[C@H](CSC)[NH2+][C@@H](C)C[C@@H](C)N ZINC000423018492 387841277 /nfs/dbraw/zinc/84/12/77/387841277.db2.gz RFIXSBRTTJGAIV-KXUCPTDWSA-N 1 3 204.383 1.843 20 0 BDADHO CC[C@H](CSC)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423018492 387841282 /nfs/dbraw/zinc/84/12/82/387841282.db2.gz RFIXSBRTTJGAIV-KXUCPTDWSA-N 1 3 204.383 1.843 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423018727 387841991 /nfs/dbraw/zinc/84/19/91/387841991.db2.gz RZLZJCGRXWLNDJ-YIYPIFLZSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NCC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423030930 387847356 /nfs/dbraw/zinc/84/73/56/387847356.db2.gz KISCTQCXYBDGDA-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCNCC[C@H]1C ZINC000423036465 387851540 /nfs/dbraw/zinc/85/15/40/387851540.db2.gz UBNAFXKIAGYCOT-RHYQMDGZSA-N 1 3 214.353 1.124 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423038243 387852695 /nfs/dbraw/zinc/85/26/95/387852695.db2.gz ODGQFBPCZNYXMQ-GHMZBOCLSA-N 1 3 216.369 1.765 20 0 BDADHO CC1=CCN(CCN[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038786 387852736 /nfs/dbraw/zinc/85/27/36/387852736.db2.gz PBBBXXDNXYUSAK-ZIAGYGMSSA-N 1 3 237.391 1.355 20 0 BDADHO CC1=CCN(CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000423038786 387852737 /nfs/dbraw/zinc/85/27/37/387852737.db2.gz PBBBXXDNXYUSAK-ZIAGYGMSSA-N 1 3 237.391 1.355 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCCC(C)(C)C1 ZINC000423073290 387874197 /nfs/dbraw/zinc/87/41/97/387874197.db2.gz ILRJBRDONHMLGS-QWHCGFSZSA-N 1 3 241.423 1.824 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000423048190 387857170 /nfs/dbraw/zinc/85/71/70/387857170.db2.gz VVZSGYXCGCBFDH-RFQIPJPRSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](N[C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051320 387860233 /nfs/dbraw/zinc/86/02/33/387860233.db2.gz NPDLLDHTEUTLDP-CYZMBNFOSA-N 1 3 240.391 1.776 20 0 BDADHO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CNC2)C1(C)C ZINC000423051320 387860238 /nfs/dbraw/zinc/86/02/38/387860238.db2.gz NPDLLDHTEUTLDP-CYZMBNFOSA-N 1 3 240.391 1.776 20 0 BDADHO CC[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535053 387861439 /nfs/dbraw/zinc/86/14/39/387861439.db2.gz IIIWZNNVLWEKTH-CHWSQXEVSA-N 1 3 248.374 1.603 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000423057595 387863599 /nfs/dbraw/zinc/86/35/99/387863599.db2.gz ZRBHUZOHJKMCGK-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(CO)CCCC1 ZINC000423057595 387863600 /nfs/dbraw/zinc/86/36/00/387863600.db2.gz ZRBHUZOHJKMCGK-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO CN(C)C1(C[NH2+][C@@H]2CCCCC[C@H]2N)CCC1 ZINC000423059073 387864136 /nfs/dbraw/zinc/86/41/36/387864136.db2.gz KZKYYYBPETXQRN-CHWSQXEVSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060341 387865036 /nfs/dbraw/zinc/86/50/36/387865036.db2.gz HVOLBTJFLHMPTI-CRWXNKLISA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](NC[C@H]1CC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423070668 387872085 /nfs/dbraw/zinc/87/20/85/387872085.db2.gz NJMXNJXKCAJSPR-RVMXOQNASA-N 1 3 226.364 1.268 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423070831 387872495 /nfs/dbraw/zinc/87/24/95/387872495.db2.gz DPEJVEBMGBJGEA-BFHYXJOUSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCCN1C1CC1 ZINC000423070831 387872499 /nfs/dbraw/zinc/87/24/99/387872499.db2.gz DPEJVEBMGBJGEA-BFHYXJOUSA-N 1 3 237.391 1.473 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000423071794 387872739 /nfs/dbraw/zinc/87/27/39/387872739.db2.gz OVZLSVOYCDHDQP-YVECIDJPSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCCN1C1CC1 ZINC000423071861 387872835 /nfs/dbraw/zinc/87/28/35/387872835.db2.gz GCNVRHCNGMCGJL-OBJOEFQTSA-N 1 3 239.407 1.719 20 0 BDADHO CCC(CC)[C@H](C[NH2+][C@H]1CCC[C@H]1N)N(C)C ZINC000422968379 387819079 /nfs/dbraw/zinc/81/90/79/387819079.db2.gz WOYGITPDIKAEJA-RDBSUJKOSA-N 1 3 241.423 1.822 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H](CO)CC1CCCC1 ZINC000423103396 387889551 /nfs/dbraw/zinc/88/95/51/387889551.db2.gz PJIJYSPKKLMWMZ-MGPQQGTHSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H]1CSC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107591 387891530 /nfs/dbraw/zinc/89/15/30/387891530.db2.gz KZOGGVKIZJWVAA-LAVVOLMRSA-N 1 3 226.389 1.611 20 0 BDADHO C[C@H](NCC1(C(F)(F)F)CCC1)C1C[NH2+]C1 ZINC000423109296 387892527 /nfs/dbraw/zinc/89/25/27/387892527.db2.gz NIMPJHDJUYWTOS-QMMMGPOBSA-N 1 3 236.281 1.917 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc2c[nH]nc2c1 ZINC000423110101 387892796 /nfs/dbraw/zinc/89/27/96/387892796.db2.gz ULVNKMCNVAGXRL-QWRGUYRKSA-N 1 3 246.358 1.821 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCOC(F)F ZINC000423108258 387892842 /nfs/dbraw/zinc/89/28/42/387892842.db2.gz GAOFKRVSIYWEED-DTWKUNHWSA-N 1 3 222.279 1.203 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCOC(F)F ZINC000423108259 387893707 /nfs/dbraw/zinc/89/37/07/387893707.db2.gz GAOFKRVSIYWEED-IUCAKERBSA-N 1 3 222.279 1.203 20 0 BDADHO C[C@H]1CN(C)CCN1CCC[NH+]1CCCCC1 ZINC000444629463 387896773 /nfs/dbraw/zinc/89/67/73/387896773.db2.gz WCHXJOCUHQFISH-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCOC(F)F ZINC000423116747 387897957 /nfs/dbraw/zinc/89/79/57/387897957.db2.gz RKGNTIDYANVYNA-ZJUUUORDSA-N 1 3 236.306 1.593 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000423115970 387898212 /nfs/dbraw/zinc/89/82/12/387898212.db2.gz ZHBDJRLKFDUFQD-XFWSIPNHSA-N 1 3 202.367 1.453 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CSC[C@H]1C ZINC000423115970 387898217 /nfs/dbraw/zinc/89/82/17/387898217.db2.gz ZHBDJRLKFDUFQD-XFWSIPNHSA-N 1 3 202.367 1.453 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000423079563 387876649 /nfs/dbraw/zinc/87/66/49/387876649.db2.gz QYETXZDYDSRIDL-RDBSUJKOSA-N 1 3 240.391 1.787 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423082936 387878201 /nfs/dbraw/zinc/87/82/01/387878201.db2.gz FHGUHLBZIBCYAX-MGPQQGTHSA-N 1 3 241.423 1.966 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000423082911 387878817 /nfs/dbraw/zinc/87/88/17/387878817.db2.gz FEQBEHRTVLWSSP-IJLUTSLNSA-N 1 3 228.405 1.717 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423084306 387878977 /nfs/dbraw/zinc/87/89/77/387878977.db2.gz HQGUDRDPGSSQMT-VPOLOUISSA-N 1 3 228.336 1.044 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000423084306 387878978 /nfs/dbraw/zinc/87/89/78/387878978.db2.gz HQGUDRDPGSSQMT-VPOLOUISSA-N 1 3 228.336 1.044 20 0 BDADHO CCNC(=O)C1(CN[C@H](C)C[C@H](C)[NH3+])CCC1 ZINC000423081224 387879256 /nfs/dbraw/zinc/87/92/56/387879256.db2.gz UQXLBKQMVNWPBB-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H](NC[C@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085181 387879533 /nfs/dbraw/zinc/87/95/33/387879533.db2.gz JYAFECFJMMQXIN-DGCLKSJQSA-N 1 3 239.407 1.304 20 0 BDADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1N ZINC000423115938 387898474 /nfs/dbraw/zinc/89/84/74/387898474.db2.gz ZBXBHQWHMJXBMF-AVGNSLFASA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H](N[C@H](CO)CCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000423092934 387883711 /nfs/dbraw/zinc/88/37/11/387883711.db2.gz DXLVETXJIFTYTP-AVGNSLFASA-N 1 3 242.407 1.761 20 0 BDADHO COc1ncccc1CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000423141060 387918075 /nfs/dbraw/zinc/91/80/75/387918075.db2.gz NSKDUTSLHDVZPK-YPMHNXCESA-N 1 3 249.358 1.220 20 0 BDADHO COc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423141703 387918939 /nfs/dbraw/zinc/91/89/39/387918939.db2.gz RJWGSVZTFQWCLO-QWHCGFSZSA-N 1 3 249.358 1.350 20 0 BDADHO COc1ncccc1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000423141703 387918945 /nfs/dbraw/zinc/91/89/45/387918945.db2.gz RJWGSVZTFQWCLO-QWHCGFSZSA-N 1 3 249.358 1.350 20 0 BDADHO CN(C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645775998 387899425 /nfs/dbraw/zinc/89/94/25/387899425.db2.gz ULSRXLUUVNPXHH-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1COc2ccccc21 ZINC000423121191 387901078 /nfs/dbraw/zinc/90/10/78/387901078.db2.gz IEICQZGLEVJCFJ-OUCADQQQSA-N 1 3 246.354 1.880 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1COc2ccccc21 ZINC000423121191 387901081 /nfs/dbraw/zinc/90/10/81/387901081.db2.gz IEICQZGLEVJCFJ-OUCADQQQSA-N 1 3 246.354 1.880 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCOC1 ZINC000423119329 387901090 /nfs/dbraw/zinc/90/10/90/387901090.db2.gz DPFROPYQVJFBJI-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000423119329 387901094 /nfs/dbraw/zinc/90/10/94/387901094.db2.gz DPFROPYQVJFBJI-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000423124769 387903750 /nfs/dbraw/zinc/90/37/50/387903750.db2.gz PBLHHJREWYEKDL-WDEREUQCSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@H](NC[C@@H]1COc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000423125962 387906038 /nfs/dbraw/zinc/90/60/38/387906038.db2.gz RAXTUHUCWIZRQS-YNEHKIRRSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131417 387910059 /nfs/dbraw/zinc/91/00/59/387910059.db2.gz SVMGAPUCXBKICZ-MROQNXINSA-N 1 3 228.380 1.501 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCC1(F)CCC1 ZINC000423134073 387911199 /nfs/dbraw/zinc/91/11/99/387911199.db2.gz WJCCYZKNHGWJST-NXEZZACHSA-N 1 3 200.301 1.738 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423133416 387912219 /nfs/dbraw/zinc/91/22/19/387912219.db2.gz KIQWJEVQDUQLIM-OUCADQQQSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](CO)C1CCCCC1 ZINC000423133416 387912223 /nfs/dbraw/zinc/91/22/23/387912223.db2.gz KIQWJEVQDUQLIM-OUCADQQQSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155698 387935023 /nfs/dbraw/zinc/93/50/23/387935023.db2.gz LIIOAYCKNHOFDW-NEPJUHHUSA-N 1 3 242.407 1.761 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)C(C)C)c1 ZINC000424219404 387936294 /nfs/dbraw/zinc/93/62/94/387936294.db2.gz ALHYROMEDSTVIS-GFCCVEGCSA-N 1 3 235.331 1.376 20 0 BDADHO CC[C@@H](N[C@H]1CC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000423150106 387927383 /nfs/dbraw/zinc/92/73/83/387927383.db2.gz AXVAMKPXAACZGH-RQJABVFESA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000423167250 387951954 /nfs/dbraw/zinc/95/19/54/387951954.db2.gz DXJXVDMEPJYJKR-TUAOUCFPSA-N 1 3 212.337 1.286 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423167341 387952571 /nfs/dbraw/zinc/95/25/71/387952571.db2.gz SDWYMJABGNGWHA-XQHKEYJVSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@H]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169886 387955603 /nfs/dbraw/zinc/95/56/03/387955603.db2.gz WUZQVCCSKFIOEN-GVWAJWJKSA-N 1 3 224.348 1.427 20 0 BDADHO COCC1(CN[C@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000423159199 387939228 /nfs/dbraw/zinc/93/92/28/387939228.db2.gz FNHHQINCZBUGCE-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)CNCC2CC2)c1 ZINC000424239070 387942031 /nfs/dbraw/zinc/94/20/31/387942031.db2.gz LIQXBQCPWLEJJV-UHFFFAOYSA-N 1 3 247.342 1.392 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCC[C@H]1O ZINC000423162820 387945065 /nfs/dbraw/zinc/94/50/65/387945065.db2.gz QHFWCOJUYPUTIN-YVECIDJPSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423164101 387946893 /nfs/dbraw/zinc/94/68/93/387946893.db2.gz NVRVUVRGFYGISZ-ZDEQEGDKSA-N 1 3 226.364 1.125 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423172369 387959118 /nfs/dbraw/zinc/95/91/18/387959118.db2.gz SMOBSKQHIRILRP-AVGNSLFASA-N 1 3 228.380 1.766 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176495 387962097 /nfs/dbraw/zinc/96/20/97/387962097.db2.gz GCQWOMJNJXVTCQ-RGDJUOJXSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000423179390 387966559 /nfs/dbraw/zinc/96/65/59/387966559.db2.gz CZUSIIDHORQBSF-WDEREUQCSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000423179390 387966563 /nfs/dbraw/zinc/96/65/63/387966563.db2.gz CZUSIIDHORQBSF-WDEREUQCSA-N 1 3 214.353 1.517 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN ZINC000423181090 387967154 /nfs/dbraw/zinc/96/71/54/387967154.db2.gz FJCLCNIDTUYXGC-QWRGUYRKSA-N 1 3 200.326 1.130 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCCCC1)[C@H]1CCCO1 ZINC000423181285 387967620 /nfs/dbraw/zinc/96/76/20/387967620.db2.gz OQDPSUPPYYXJLU-VXGBXAGGSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H](NCC1([NH3+])CCCCC1)[C@H]1CCCO1 ZINC000423181285 387967626 /nfs/dbraw/zinc/96/76/26/387967626.db2.gz OQDPSUPPYYXJLU-VXGBXAGGSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H](NCCC[NH3+])c1ccc(-n2cccn2)cc1 ZINC000423183401 387967694 /nfs/dbraw/zinc/96/76/94/387967694.db2.gz RQSVAWMTQSLGKV-GFCCVEGCSA-N 1 3 244.342 1.872 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000423183557 387969581 /nfs/dbraw/zinc/96/95/81/387969581.db2.gz MPLAELQRWAOFAZ-LMLFDSFASA-N 1 3 208.305 1.851 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CCCN)C1(CC)CC ZINC000423184365 387970406 /nfs/dbraw/zinc/97/04/06/387970406.db2.gz IMMOBDLHSFRARB-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH3+])C1(CC)CC ZINC000423184365 387970407 /nfs/dbraw/zinc/97/04/07/387970407.db2.gz IMMOBDLHSFRARB-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H](NCCN1CCCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000423170392 387957558 /nfs/dbraw/zinc/95/75/58/387957558.db2.gz XYFMNDQJRZYKBO-CHWSQXEVSA-N 1 3 239.407 1.591 20 0 BDADHO COCC[C@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171405 387957598 /nfs/dbraw/zinc/95/75/98/387957598.db2.gz OITYWNWIDJJVBT-AVGNSLFASA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+]CCCN[C@@H]1CCCNc2ccccc21 ZINC000423197159 387981863 /nfs/dbraw/zinc/98/18/63/387981863.db2.gz YDVURJYNTVRGCC-CYBMUJFWSA-N 1 3 219.332 1.872 20 0 BDADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCN ZINC000423191485 387976372 /nfs/dbraw/zinc/97/63/72/387976372.db2.gz UFPDFEVFZYQNEP-JTQLQIEISA-N 1 3 224.279 1.370 20 0 BDADHO CCOCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158967861 387977066 /nfs/dbraw/zinc/97/70/66/387977066.db2.gz FAALJTOTVAJJAB-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCOCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158967861 387977070 /nfs/dbraw/zinc/97/70/70/387977070.db2.gz FAALJTOTVAJJAB-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000423192864 387977626 /nfs/dbraw/zinc/97/76/26/387977626.db2.gz VFCZMKIGCWGFBS-GNRIBBGQSA-N 1 3 240.391 1.909 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423204565 387991151 /nfs/dbraw/zinc/99/11/51/387991151.db2.gz UTBBRTAPLYBEKE-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369503 387993890 /nfs/dbraw/zinc/99/38/90/387993890.db2.gz BYDGTEHHMBCFQY-DDNMXHNFSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369505 387994458 /nfs/dbraw/zinc/99/44/58/387994458.db2.gz BYDGTEHHMBCFQY-DDNRWTCHSA-N 1 3 238.375 1.517 20 0 BDADHO C[NH2+]CCCN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423202228 387987182 /nfs/dbraw/zinc/98/71/82/387987182.db2.gz QIYZDKXSDGUWNR-GRYCIOLGSA-N 1 3 224.348 1.143 20 0 BDADHO CNCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423202228 387987183 /nfs/dbraw/zinc/98/71/83/387987183.db2.gz QIYZDKXSDGUWNR-GRYCIOLGSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214328 387997348 /nfs/dbraw/zinc/99/73/48/387997348.db2.gz OQDYPNZMAIBJBW-JHJVBQTASA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1CN ZINC000420411544 387998664 /nfs/dbraw/zinc/99/86/64/387998664.db2.gz RVFANXZISXYXND-RDBSUJKOSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1CN ZINC000420411544 387998668 /nfs/dbraw/zinc/99/86/68/387998668.db2.gz RVFANXZISXYXND-RDBSUJKOSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000420411544 387998673 /nfs/dbraw/zinc/99/86/73/387998673.db2.gz RVFANXZISXYXND-RDBSUJKOSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H](Cc1ccoc1)NC[C@@H]1CCC[NH2+]C1 ZINC000423221446 388002490 /nfs/dbraw/zinc/00/24/90/388002490.db2.gz ZWAYDMRHTGEFOY-WCQYABFASA-N 1 3 222.332 1.800 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423223174 388004235 /nfs/dbraw/zinc/00/42/35/388004235.db2.gz FDXITHQVQZZEPR-RFQIPJPRSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH3+])CCN[C@H]1CCc2ccccc2OC1 ZINC000423224157 388006466 /nfs/dbraw/zinc/00/64/66/388006466.db2.gz IJYHPKZQHAZVQT-AAEUAGOBSA-N 1 3 234.343 1.707 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+]C[C@H](C)CN(C)C ZINC000453227169 388013252 /nfs/dbraw/zinc/01/32/52/388013252.db2.gz CURABRLIBAITPO-NWDGAFQWSA-N 1 3 224.348 1.998 20 0 BDADHO C[C@H](Cc1ccoc1)NC[C@H](C)C[NH+](C)C ZINC000453227169 388013256 /nfs/dbraw/zinc/01/32/56/388013256.db2.gz CURABRLIBAITPO-NWDGAFQWSA-N 1 3 224.348 1.998 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1NCC[NH2+]C ZINC000423235396 388019347 /nfs/dbraw/zinc/01/93/47/388019347.db2.gz ASCWXEAADCRRSC-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000423256373 388036563 /nfs/dbraw/zinc/03/65/63/388036563.db2.gz BSTYDMJZMWZXGF-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H]1CCO[C@@H]1C ZINC000423263543 388042360 /nfs/dbraw/zinc/04/23/60/388042360.db2.gz OSNQSIXFNINORI-GMTAPVOTSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@@H](NC[C@H](N)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244550 388028393 /nfs/dbraw/zinc/02/83/93/388028393.db2.gz HRSQNVZJZVXTPU-SNPRPXQTSA-N 1 3 247.386 1.807 20 0 BDADHO CC(C)[C@@H]([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423272265 388051400 /nfs/dbraw/zinc/05/14/00/388051400.db2.gz JUENMMQTRWRMQH-MROQNXINSA-N 1 3 238.375 1.517 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cc1ccoc1 ZINC000423285740 388068305 /nfs/dbraw/zinc/06/83/05/388068305.db2.gz ZYIVDOCFYYMSNG-QWRGUYRKSA-N 1 3 210.321 1.656 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423287349 388070611 /nfs/dbraw/zinc/07/06/11/388070611.db2.gz LROFVWNMKASFCE-AXFHLTTASA-N 1 3 226.364 1.517 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423286509 388070628 /nfs/dbraw/zinc/07/06/28/388070628.db2.gz HSDDCLGMABBFFB-RYUDHWBXSA-N 1 3 239.407 1.719 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423286509 388070633 /nfs/dbraw/zinc/07/06/33/388070633.db2.gz HSDDCLGMABBFFB-RYUDHWBXSA-N 1 3 239.407 1.719 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000423288443 388072886 /nfs/dbraw/zinc/07/28/86/388072886.db2.gz SBSNGEIMLBPYAI-MNOVXSKESA-N 1 3 213.369 1.044 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CN(C)C[C@H]1C ZINC000423288443 388072887 /nfs/dbraw/zinc/07/28/87/388072887.db2.gz SBSNGEIMLBPYAI-MNOVXSKESA-N 1 3 213.369 1.044 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084215797 388073257 /nfs/dbraw/zinc/07/32/57/388073257.db2.gz OFTVTCAOYWIPSP-QWHCGFSZSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@@H]1CCCO1 ZINC000084215822 388073752 /nfs/dbraw/zinc/07/37/52/388073752.db2.gz VJVWCDLRHLOOMC-LOWDOPEQSA-N 1 3 226.364 1.661 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccn1 ZINC000084217589 388075553 /nfs/dbraw/zinc/07/55/53/388075553.db2.gz TZXRQPSWHSXFOB-WCQYABFASA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccccn1 ZINC000084217589 388075554 /nfs/dbraw/zinc/07/55/54/388075554.db2.gz TZXRQPSWHSXFOB-WCQYABFASA-N 1 3 219.332 1.341 20 0 BDADHO Cc1nocc1CNCCCC[N@@H+](C)C1CC1 ZINC000453590808 388088694 /nfs/dbraw/zinc/08/86/94/388088694.db2.gz BMAVYZKUODVEEG-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO Cc1nocc1CNCCCC[N@H+](C)C1CC1 ZINC000453590808 388088698 /nfs/dbraw/zinc/08/86/98/388088698.db2.gz BMAVYZKUODVEEG-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO C=Cn1cc(CN2CCC(C[NH+](C)C)CC2)cn1 ZINC000447794034 388093039 /nfs/dbraw/zinc/09/30/39/388093039.db2.gz BLTUHUDDTUGAMD-UHFFFAOYSA-N 1 3 248.374 1.757 20 0 BDADHO C[C@H](O)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000118946447 388100248 /nfs/dbraw/zinc/10/02/48/388100248.db2.gz JBTDPOFJKGJVML-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)SCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000261527407 135151964 /nfs/dbraw/zinc/15/19/64/135151964.db2.gz AUCNTZVSKBYIFJ-WDEREUQCSA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@@H](CO)N[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000164017622 388129939 /nfs/dbraw/zinc/12/99/39/388129939.db2.gz QTRHBJHFRCLFQJ-RWMBFGLXSA-N 1 3 228.380 1.658 20 0 BDADHO CC[C@H](C)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104927 388143425 /nfs/dbraw/zinc/14/34/25/388143425.db2.gz WDZLSTVEOGDDPN-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449122589 388145186 /nfs/dbraw/zinc/14/51/86/388145186.db2.gz MAJFJPASPLJTET-GXFFZTMASA-N 1 3 241.379 1.007 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379737279 388255732 /nfs/dbraw/zinc/25/57/32/388255732.db2.gz RGYOEHGAZXLFLE-GFCCVEGCSA-N 1 3 224.348 1.311 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCC2=CCOCC2)[C@@H](C)C1 ZINC000449402676 388195762 /nfs/dbraw/zinc/19/57/62/388195762.db2.gz MOBHNKIDYYSXRD-GXTWGEPZSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@@H](NCC2=CCOCC2)[C@@H](C)C1 ZINC000449402676 388195763 /nfs/dbraw/zinc/19/57/63/388195763.db2.gz MOBHNKIDYYSXRD-GXTWGEPZSA-N 1 3 238.375 1.653 20 0 BDADHO CCC[C@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468821 388217032 /nfs/dbraw/zinc/21/70/32/388217032.db2.gz JIIQQCIQMBNPBF-GWCFXTLKSA-N 1 3 249.358 1.450 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)[C@H](C)N1CCCCCC1 ZINC000449608677 388241919 /nfs/dbraw/zinc/24/19/19/388241919.db2.gz JLAVEMLFPQGZMA-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](C(=O)N(C)C1CC([NH3+])C1)N(CC)CC ZINC000449635585 388246888 /nfs/dbraw/zinc/24/68/88/388246888.db2.gz UMMUVCYKWURRGD-MCIGGMRASA-N 1 3 241.379 1.055 20 0 BDADHO C[C@H](C[NH2+]Cc1cccc2c[nH]nc21)CN(C)C ZINC000491597953 388304692 /nfs/dbraw/zinc/30/46/92/388304692.db2.gz AUQWZADBJQTFIW-LLVKDONJSA-N 1 3 246.358 1.850 20 0 BDADHO C[C@H](CN)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414870825 256628695 /nfs/dbraw/zinc/62/86/95/256628695.db2.gz CORCOXBOLRCHED-XBFCOCLRSA-N 1 3 218.344 1.975 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H](NC2C[NH2+]C2)C1 ZINC000572749225 388373267 /nfs/dbraw/zinc/37/32/67/388373267.db2.gz KBOTUUDKARUOCN-OCCSQVGLSA-N 1 3 245.370 1.383 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@H](NC2C[NH2+]C2)C1 ZINC000572749224 388373867 /nfs/dbraw/zinc/37/38/67/388373867.db2.gz KBOTUUDKARUOCN-JSGCOSHPSA-N 1 3 245.370 1.383 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000401801469 388380148 /nfs/dbraw/zinc/38/01/48/388380148.db2.gz UQHJIHZYRCAPKE-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236762891 388382298 /nfs/dbraw/zinc/38/22/98/388382298.db2.gz RPXOWALFSQICFL-UTUOFQBUSA-N 1 3 241.379 1.090 20 0 BDADHO FC1(F)CC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854768 388398469 /nfs/dbraw/zinc/39/84/69/388398469.db2.gz KBDMWJWNVKUEOE-MXWKQRLJSA-N 1 3 230.302 1.573 20 0 BDADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)[C@H](C)O ZINC000516564376 388478330 /nfs/dbraw/zinc/47/83/30/388478330.db2.gz BVNZABOQVPBDRG-XQQFMLRXSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)[C@H](C)O ZINC000516564376 388478333 /nfs/dbraw/zinc/47/83/33/388478333.db2.gz BVNZABOQVPBDRG-XQQFMLRXSA-N 1 3 228.380 1.610 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000397232629 388421098 /nfs/dbraw/zinc/42/10/98/388421098.db2.gz GZPRVMWJPJPFMA-AVGNSLFASA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCN ZINC000307596966 388424140 /nfs/dbraw/zinc/42/41/40/388424140.db2.gz MYWILWJLRKCTRR-GXTWGEPZSA-N 1 3 233.359 1.055 20 0 BDADHO CCO[C@@H]1COCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000573266713 388437567 /nfs/dbraw/zinc/43/75/67/388437567.db2.gz KXGQNGCMHYZQLU-ZDEQEGDKSA-N 1 3 242.363 1.040 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)CN(C)C ZINC000340392665 388489780 /nfs/dbraw/zinc/48/97/80/388489780.db2.gz ZWQHATJJWFPRDJ-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CCn1cc([C@@H](C)NCC2=CC[N@H+](C)CC2)cn1 ZINC000344289583 388505777 /nfs/dbraw/zinc/50/57/77/388505777.db2.gz LFMOXWRFXKNHCB-GFCCVEGCSA-N 1 3 248.374 1.816 20 0 BDADHO CCn1cc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cn1 ZINC000344289583 388505778 /nfs/dbraw/zinc/50/57/78/388505778.db2.gz LFMOXWRFXKNHCB-GFCCVEGCSA-N 1 3 248.374 1.816 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839679 388519234 /nfs/dbraw/zinc/51/92/34/388519234.db2.gz XGRVIBGERRLKSU-MELADBBJSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000378839679 388519237 /nfs/dbraw/zinc/51/92/37/388519237.db2.gz XGRVIBGERRLKSU-MELADBBJSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)C[C@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000348051410 388524804 /nfs/dbraw/zinc/52/48/04/388524804.db2.gz ZZVBPWCHKXJPBQ-ZDUSSCGKSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348257873 388527320 /nfs/dbraw/zinc/52/73/20/388527320.db2.gz TZCBCYMSDIAWRP-MJBXVCDLSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348257873 388527323 /nfs/dbraw/zinc/52/73/23/388527323.db2.gz TZCBCYMSDIAWRP-MJBXVCDLSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348257870 388527757 /nfs/dbraw/zinc/52/77/57/388527757.db2.gz TZCBCYMSDIAWRP-BFHYXJOUSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348257870 388527759 /nfs/dbraw/zinc/52/77/59/388527759.db2.gz TZCBCYMSDIAWRP-BFHYXJOUSA-N 1 3 240.391 1.467 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1CC[C@H]1CCOC1 ZINC000352539442 388536356 /nfs/dbraw/zinc/53/63/56/388536356.db2.gz ARQXCBPDXMYGQI-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000352539442 388536359 /nfs/dbraw/zinc/53/63/59/388536359.db2.gz ARQXCBPDXMYGQI-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000548885301 388568560 /nfs/dbraw/zinc/56/85/60/388568560.db2.gz UJCXMDWADAZHSV-XQQFMLRXSA-N 1 3 238.375 1.221 20 0 BDADHO CN(C[C@@H]1CCSC1)CC(C)(C)C[NH3+] ZINC000224618817 388666998 /nfs/dbraw/zinc/66/69/98/388666998.db2.gz MENHPUONKRSVCK-JTQLQIEISA-N 1 3 216.394 1.656 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)OC)[C@H](C)C1 ZINC000248416164 388679368 /nfs/dbraw/zinc/67/93/68/388679368.db2.gz IOFRTIOQOZPPFE-AGIUHOORSA-N 1 3 228.380 1.683 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)OC)[C@H](C)C1 ZINC000248416164 388679370 /nfs/dbraw/zinc/67/93/70/388679370.db2.gz IOFRTIOQOZPPFE-AGIUHOORSA-N 1 3 228.380 1.683 20 0 BDADHO CO[C@@H](C)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000248455871 388681349 /nfs/dbraw/zinc/68/13/49/388681349.db2.gz ZXSAYAPZPNXNSJ-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO CO[C@@H](C)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248455871 388681351 /nfs/dbraw/zinc/68/13/51/388681351.db2.gz ZXSAYAPZPNXNSJ-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO COC[C@@H](C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530245360 388639112 /nfs/dbraw/zinc/63/91/12/388639112.db2.gz WOQSXJGNZPETJE-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000223209112 388649315 /nfs/dbraw/zinc/64/93/15/388649315.db2.gz AJCQAEFGJDTUQY-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000223209112 388649316 /nfs/dbraw/zinc/64/93/16/388649316.db2.gz AJCQAEFGJDTUQY-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000223209112 388649319 /nfs/dbraw/zinc/64/93/19/388649319.db2.gz AJCQAEFGJDTUQY-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)CN1CCCC1 ZINC000246946607 388654627 /nfs/dbraw/zinc/65/46/27/388654627.db2.gz HVGJPHPBMFMEEN-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1nn(C)cc1CNCC1CC[NH+](C)CC1 ZINC000126026855 388685913 /nfs/dbraw/zinc/68/59/13/388685913.db2.gz ISEVWXAELKNJJZ-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO CC[NH+]1CCC(NCC2=CCCOC2)CC1 ZINC000124633565 388664396 /nfs/dbraw/zinc/66/43/96/388664396.db2.gz CUVUMEUWQGYULO-UHFFFAOYSA-N 1 3 224.348 1.407 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C)COC)C1 ZINC000249849082 388734048 /nfs/dbraw/zinc/73/40/48/388734048.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 1 3 242.407 1.933 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)COC)C1 ZINC000249849082 388734051 /nfs/dbraw/zinc/73/40/51/388734051.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249849082 388734054 /nfs/dbraw/zinc/73/40/54/388734054.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249849082 388734057 /nfs/dbraw/zinc/73/40/57/388734057.db2.gz OZZAPYVEVAEXSY-KBPBESRZSA-N 1 3 242.407 1.933 20 0 BDADHO CC[NH+](CC)C[C@H]1CCN(C[C@H](C)COC)C1 ZINC000249942225 388735709 /nfs/dbraw/zinc/73/57/09/388735709.db2.gz TWPHLSBZCGCAJW-UONOGXRCSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249942225 388735711 /nfs/dbraw/zinc/73/57/11/388735711.db2.gz TWPHLSBZCGCAJW-UONOGXRCSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249942225 388735713 /nfs/dbraw/zinc/73/57/13/388735713.db2.gz TWPHLSBZCGCAJW-UONOGXRCSA-N 1 3 242.407 1.933 20 0 BDADHO CC(C)[C@@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128066297 388737575 /nfs/dbraw/zinc/73/75/75/388737575.db2.gz LRJTWZTUJXHHKO-JHJVBQTASA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128066297 388737577 /nfs/dbraw/zinc/73/75/77/388737577.db2.gz LRJTWZTUJXHHKO-JHJVBQTASA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250573352 388738016 /nfs/dbraw/zinc/73/80/16/388738016.db2.gz LRJTWZTUJXHHKO-RWMBFGLXSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250573352 388738018 /nfs/dbraw/zinc/73/80/18/388738018.db2.gz LRJTWZTUJXHHKO-RWMBFGLXSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250572574 388738090 /nfs/dbraw/zinc/73/80/90/388738090.db2.gz LRJTWZTUJXHHKO-FRRDWIJNSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250572574 388738091 /nfs/dbraw/zinc/73/80/91/388738091.db2.gz LRJTWZTUJXHHKO-FRRDWIJNSA-N 1 3 226.364 1.220 20 0 BDADHO CCSCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261527423 388742834 /nfs/dbraw/zinc/74/28/34/388742834.db2.gz BALVWQWTFLTEGA-DCAQKATOSA-N 1 3 214.378 1.409 20 0 BDADHO C[NH+](C)CCOCCNCc1ccsc1 ZINC000230004636 388810500 /nfs/dbraw/zinc/81/05/00/388810500.db2.gz HHQNERRYFZTNEQ-UHFFFAOYSA-N 1 3 228.361 1.416 20 0 BDADHO CSC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703289 388772523 /nfs/dbraw/zinc/77/25/23/388772523.db2.gz QIMFCPBUIWBUOP-SRVKXCTJSA-N 1 3 228.405 1.954 20 0 BDADHO CSC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703289 388772525 /nfs/dbraw/zinc/77/25/25/388772525.db2.gz QIMFCPBUIWBUOP-SRVKXCTJSA-N 1 3 228.405 1.954 20 0 BDADHO C[NH2+]CCN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000564949963 388901018 /nfs/dbraw/zinc/90/10/18/388901018.db2.gz USHPFIFDIWNIAD-UHFFFAOYSA-N 1 3 249.358 1.040 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccncc1 ZINC000271085824 389018376 /nfs/dbraw/zinc/01/83/76/389018376.db2.gz TVFYYSBFGDFKQF-GFCCVEGCSA-N 1 3 249.358 1.189 20 0 BDADHO Cc1cc(N2CCN(C(C)C)CC2)cc[nH+]1 ZINC000274355072 132202984 /nfs/dbraw/zinc/20/29/84/132202984.db2.gz LRORYBNMTIVFKV-UHFFFAOYSA-N 1 3 219.332 1.920 20 0 BDADHO Cc1nn(C)cc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000168681331 134241677 /nfs/dbraw/zinc/24/16/77/134241677.db2.gz YFFBARRGKHVFLG-YPMHNXCESA-N 1 3 236.363 1.336 20 0 BDADHO C[C@H]1CCCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000219325155 134281176 /nfs/dbraw/zinc/28/11/76/134281176.db2.gz VLCQGQFNKMBRLC-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)CC[C@H](C)[NH2+]CCOCCN(C)C ZINC000219321485 134281550 /nfs/dbraw/zinc/28/15/50/134281550.db2.gz RRDNLASXTNRPKR-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO Cc1cc(F)ccc1CN[C@@H](C)CC[NH3+] ZINC000220503546 134309081 /nfs/dbraw/zinc/30/90/81/134309081.db2.gz CODWNIWPXGNVCQ-JTQLQIEISA-N 1 3 210.296 1.961 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958871 134313608 /nfs/dbraw/zinc/31/36/08/134313608.db2.gz BFROUUUEOMLWIE-MRTXSQPYSA-N 1 3 236.359 1.523 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958871 134313609 /nfs/dbraw/zinc/31/36/09/134313609.db2.gz BFROUUUEOMLWIE-MRTXSQPYSA-N 1 3 236.359 1.523 20 0 BDADHO COC1CC(NC[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000220837156 134316048 /nfs/dbraw/zinc/31/60/48/134316048.db2.gz BRPFISKGTJYHAH-RUXDESIVSA-N 1 3 240.391 1.874 20 0 BDADHO COCCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000234631140 134581986 /nfs/dbraw/zinc/58/19/86/134581986.db2.gz ZLLBIQTZYZHOSA-RYUDHWBXSA-N 1 3 214.353 1.520 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@H](C)CN1CCCC1 ZINC000070656801 135007876 /nfs/dbraw/zinc/00/78/76/135007876.db2.gz YOZXIHJQUCYXSM-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](COC)NC[C@H](C)C[NH+]1CCCC1 ZINC000070656801 135007879 /nfs/dbraw/zinc/00/78/79/135007879.db2.gz YOZXIHJQUCYXSM-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cc(N2CCN(C[C@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000248665019 135018246 /nfs/dbraw/zinc/01/82/46/135018246.db2.gz LBDCLPIPRXHCAW-OLZOCXBDSA-N 1 3 249.358 1.281 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000249758555 135044379 /nfs/dbraw/zinc/04/43/79/135044379.db2.gz VPIWQBAQYPIIRB-FRRDWIJNSA-N 1 3 227.396 1.256 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250229509 135050620 /nfs/dbraw/zinc/05/06/20/135050620.db2.gz FYNYSHHEZMSPSP-MNOVXSKESA-N 1 3 214.378 1.423 20 0 BDADHO c1cn(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250249985 135051914 /nfs/dbraw/zinc/05/19/14/135051914.db2.gz ORZJBZHPQSLSCB-STQMWFEESA-N 1 3 234.347 1.100 20 0 BDADHO c1cn(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250249985 135051917 /nfs/dbraw/zinc/05/19/17/135051917.db2.gz ORZJBZHPQSLSCB-STQMWFEESA-N 1 3 234.347 1.100 20 0 BDADHO CC(C)(O)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250373235 135052297 /nfs/dbraw/zinc/05/22/97/135052297.db2.gz XGXUYAWSZFAZRK-RYUDHWBXSA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)(O)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250373235 135052300 /nfs/dbraw/zinc/05/23/00/135052300.db2.gz XGXUYAWSZFAZRK-RYUDHWBXSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCO)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251195098 135065845 /nfs/dbraw/zinc/06/58/45/135065845.db2.gz JUGVEPPFFCIUIB-HZSPNIEDSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000251226528 135066098 /nfs/dbraw/zinc/06/60/98/135066098.db2.gz PIRXISANJDUUPT-WOPDTQHZSA-N 1 3 214.353 1.112 20 0 BDADHO C[NH2+]C[C@@H]1CCCN([C@H](C)CCOC)C1 ZINC000251254960 135066929 /nfs/dbraw/zinc/06/69/29/135066929.db2.gz VCAIRZKDYJJCIL-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325695 135068255 /nfs/dbraw/zinc/06/82/55/135068255.db2.gz OQBXLCQPYUAFCY-FRRDWIJNSA-N 1 3 224.348 1.239 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325695 135068256 /nfs/dbraw/zinc/06/82/56/135068256.db2.gz OQBXLCQPYUAFCY-FRRDWIJNSA-N 1 3 224.348 1.239 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325695 135068258 /nfs/dbraw/zinc/06/82/58/135068258.db2.gz OQBXLCQPYUAFCY-FRRDWIJNSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000251762393 135076256 /nfs/dbraw/zinc/07/62/56/135076256.db2.gz KGRROGCMFNPWFZ-ZOBORPQBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000251762393 135076258 /nfs/dbraw/zinc/07/62/58/135076258.db2.gz KGRROGCMFNPWFZ-ZOBORPQBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252691601 135097174 /nfs/dbraw/zinc/09/71/74/135097174.db2.gz YMSOLVLADSQKEY-RNJOBUHISA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252691601 135097176 /nfs/dbraw/zinc/09/71/76/135097176.db2.gz YMSOLVLADSQKEY-RNJOBUHISA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000252711132 135099357 /nfs/dbraw/zinc/09/93/57/135099357.db2.gz IPQUNRKRTJEZPF-FRRDWIJNSA-N 1 3 239.407 1.541 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000252746574 135106335 /nfs/dbraw/zinc/10/63/35/135106335.db2.gz BNBMLJVEASXZRL-HTVCTNPSSA-N 1 3 240.391 1.656 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000252787437 135110168 /nfs/dbraw/zinc/11/01/68/135110168.db2.gz WLLQAXFACSVMHP-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000252787437 135110171 /nfs/dbraw/zinc/11/01/71/135110171.db2.gz WLLQAXFACSVMHP-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO CCCCOCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252790403 135110494 /nfs/dbraw/zinc/11/04/94/135110494.db2.gz YUBOLZSXFJALAC-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000252917611 135116458 /nfs/dbraw/zinc/11/64/58/135116458.db2.gz XLVXGWUHFDDXOW-GUBZILKMSA-N 1 3 202.367 1.455 20 0 BDADHO [NH3+]CCN1CCNC[C@@H]1c1ccccc1Cl ZINC000262200111 135117090 /nfs/dbraw/zinc/11/70/90/135117090.db2.gz KHXZCCFZQZSIGB-GFCCVEGCSA-N 1 3 239.750 1.245 20 0 BDADHO Cc1cc(NC[C@@H]2CN3CCC[C@H]3CO2)cc[nH+]1 ZINC000252946069 135117523 /nfs/dbraw/zinc/11/75/23/135117523.db2.gz MIOCBLFRQGXEHJ-UONOGXRCSA-N 1 3 247.342 1.665 20 0 BDADHO Cc1c[nH]nc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257677572 135139486 /nfs/dbraw/zinc/13/94/86/135139486.db2.gz KCJGPEWYUFIJLS-UHFFFAOYSA-N 1 3 234.347 1.294 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000261529994 135156313 /nfs/dbraw/zinc/15/63/13/135156313.db2.gz WSAWIJNFIBIFSG-OUAUKWLOSA-N 1 3 214.378 1.457 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000261533599 135165316 /nfs/dbraw/zinc/16/53/16/135165316.db2.gz LBUAYSPCHPAQSE-WOPDTQHZSA-N 1 3 228.405 1.847 20 0 BDADHO CCN(CCN[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535251 135169673 /nfs/dbraw/zinc/16/96/73/135169673.db2.gz XGKPLESKBAKPOU-WCQYABFASA-N 1 3 225.380 1.188 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000261538038 135175596 /nfs/dbraw/zinc/17/55/96/135175596.db2.gz XFPKDULDMOARFQ-GHMZBOCLSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)CCS1 ZINC000261542678 135183261 /nfs/dbraw/zinc/18/32/61/135183261.db2.gz HDPYCFWMQMUFLH-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO CCN(CCOCC[NH3+])Cc1ccccc1C ZINC000261544626 135185974 /nfs/dbraw/zinc/18/59/74/135185974.db2.gz FACJCJPJCYNQLU-UHFFFAOYSA-N 1 3 236.359 1.792 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000084218305 135192855 /nfs/dbraw/zinc/19/28/55/135192855.db2.gz KXJORORWEYVVLU-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000084216512 135192984 /nfs/dbraw/zinc/19/29/84/135192984.db2.gz FQKLHZGOCVIWSP-RWMBFGLXSA-N 1 3 226.364 1.663 20 0 BDADHO Cc1ncccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000261553558 135193128 /nfs/dbraw/zinc/19/31/28/135193128.db2.gz OAFSIQZTEAWWCZ-NSHDSACASA-N 1 3 233.359 1.949 20 0 BDADHO COCC(C)(C)C[N@H+](C)C1CCNCC1 ZINC000261553984 135193442 /nfs/dbraw/zinc/19/34/42/135193442.db2.gz TUWPBDBQWHPXAJ-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO COCC(C)(C)C[N@@H+](C)C1CCNCC1 ZINC000261553984 135193444 /nfs/dbraw/zinc/19/34/44/135193444.db2.gz TUWPBDBQWHPXAJ-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO COCC(C)(C)CN(C)C1CC[NH2+]CC1 ZINC000261553984 135193445 /nfs/dbraw/zinc/19/34/45/135193445.db2.gz TUWPBDBQWHPXAJ-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO CCN(CCOCC[NH3+])Cc1cccc(F)c1 ZINC000261553854 135193879 /nfs/dbraw/zinc/19/38/79/135193879.db2.gz OHROMYSJIQXWHS-UHFFFAOYSA-N 1 3 240.322 1.623 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@@H]2C)C1(C)C ZINC000261553885 135194000 /nfs/dbraw/zinc/19/40/00/135194000.db2.gz OJRYPNHWBUYXBT-ZDEQEGDKSA-N 1 3 240.391 1.778 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@@H]2C)C1(C)C ZINC000261553885 135194002 /nfs/dbraw/zinc/19/40/02/135194002.db2.gz OJRYPNHWBUYXBT-ZDEQEGDKSA-N 1 3 240.391 1.778 20 0 BDADHO CC(C)(C)CC[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000261554562 135194479 /nfs/dbraw/zinc/19/44/79/135194479.db2.gz OYOPGQGLPOBPMD-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)(C)CC[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000261554562 135194480 /nfs/dbraw/zinc/19/44/80/135194480.db2.gz OYOPGQGLPOBPMD-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CCC1 ZINC000261565340 135208069 /nfs/dbraw/zinc/20/80/69/135208069.db2.gz YESHHEZOPFKLMZ-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000261571296 135213234 /nfs/dbraw/zinc/21/32/34/135213234.db2.gz HKGRPIRNCGDFOI-NEPJUHHUSA-N 1 3 228.380 1.766 20 0 BDADHO [NH3+]C1(CNCCc2ccccc2)CCC1 ZINC000261581395 135222470 /nfs/dbraw/zinc/22/24/70/135222470.db2.gz NOBSLWSIPBFQRI-UHFFFAOYSA-N 1 3 204.317 1.700 20 0 BDADHO CC1(C)CN(C[C@@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000261589398 135229860 /nfs/dbraw/zinc/22/98/60/135229860.db2.gz TXSJBVKHDCIDHU-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@@H]2CCCNC2)CC[C@@H]1O ZINC000261589398 135229862 /nfs/dbraw/zinc/22/98/62/135229862.db2.gz TXSJBVKHDCIDHU-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@@H+](C[C@@H]2CCCNC2)CC[C@@H]1O ZINC000261589398 135229863 /nfs/dbraw/zinc/22/98/63/135229863.db2.gz TXSJBVKHDCIDHU-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO NC[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261595779 135236020 /nfs/dbraw/zinc/23/60/20/135236020.db2.gz YLVXPRZFJUJMTH-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261595779 135236022 /nfs/dbraw/zinc/23/60/22/135236022.db2.gz YLVXPRZFJUJMTH-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CC[C@@H]2CCOC2)C1 ZINC000261595779 135236023 /nfs/dbraw/zinc/23/60/23/135236023.db2.gz YLVXPRZFJUJMTH-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO CCC[N@@H+](C[C@H](C)N)C[C@@H]1CCCCO1 ZINC000261597452 135236829 /nfs/dbraw/zinc/23/68/29/135236829.db2.gz ZBOFNCOLHONRMP-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@H+](C[C@H](C)N)C[C@@H]1CCCCO1 ZINC000261597452 135236828 /nfs/dbraw/zinc/23/68/28/135236828.db2.gz ZBOFNCOLHONRMP-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO Cc1cc(CNC[C@H]2CC[NH2+][C@H](C)C2)on1 ZINC000261728674 135248375 /nfs/dbraw/zinc/24/83/75/135248375.db2.gz ODOKIPLFGAXXRU-KOLCDFICSA-N 1 3 223.320 1.461 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(N)c1 ZINC000261750055 135249712 /nfs/dbraw/zinc/24/97/12/135249712.db2.gz WICLNBOLCDEIEH-ZYHUDNBSSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1Cc1cccc(N)c1 ZINC000261750055 135249713 /nfs/dbraw/zinc/24/97/13/135249713.db2.gz WICLNBOLCDEIEH-ZYHUDNBSSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1Cc1cccc(N)c1 ZINC000261750055 135249714 /nfs/dbraw/zinc/24/97/14/135249714.db2.gz WICLNBOLCDEIEH-ZYHUDNBSSA-N 1 3 219.332 1.438 20 0 BDADHO CC[C@@]1(CO)CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261749222 135250109 /nfs/dbraw/zinc/25/01/09/135250109.db2.gz CBSKYKYCVNPEET-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@@]1(CO)CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261749222 135250110 /nfs/dbraw/zinc/25/01/10/135250110.db2.gz CBSKYKYCVNPEET-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO CC[C@@]1(CO)CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261749222 135250111 /nfs/dbraw/zinc/25/01/11/135250111.db2.gz CBSKYKYCVNPEET-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO COCC(C)(C)C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000261782189 135252596 /nfs/dbraw/zinc/25/25/96/135252596.db2.gz FNBZGENQCBBIKH-NWDGAFQWSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)C[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000261782189 135252597 /nfs/dbraw/zinc/25/25/97/135252597.db2.gz FNBZGENQCBBIKH-NWDGAFQWSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261782189 135252598 /nfs/dbraw/zinc/25/25/98/135252598.db2.gz FNBZGENQCBBIKH-NWDGAFQWSA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261814936 135255575 /nfs/dbraw/zinc/25/55/75/135255575.db2.gz RWLJRFFWVJOTRM-CABCVRRESA-N 1 3 248.370 1.697 20 0 BDADHO COC(=O)C(C)(C)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000261831495 135255919 /nfs/dbraw/zinc/25/59/19/135255919.db2.gz JBVKQFVAPFAVNR-GHMZBOCLSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261831536 135256043 /nfs/dbraw/zinc/25/60/43/135256043.db2.gz JCDBMTOAFZEQDD-RQJABVFESA-N 1 3 240.391 1.467 20 0 BDADHO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261831536 135256044 /nfs/dbraw/zinc/25/60/44/135256044.db2.gz JCDBMTOAFZEQDD-RQJABVFESA-N 1 3 240.391 1.467 20 0 BDADHO COC1CCC(N(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261909179 135261841 /nfs/dbraw/zinc/26/18/41/135261841.db2.gz XTZSMOBUVVTQJD-JXQTWKCFSA-N 1 3 240.391 1.875 20 0 BDADHO CN(CC[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261948452 135264831 /nfs/dbraw/zinc/26/48/31/135264831.db2.gz FQPVHTSTAKKGPG-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO COC(=O)C(C)(C)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261975081 135268794 /nfs/dbraw/zinc/26/87/94/135268794.db2.gz QQXZKNKRAPZIBB-QWRGUYRKSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@@H]([NH2+]C1CCNCC1)[C@H]1CCCCO1 ZINC000261986189 135269341 /nfs/dbraw/zinc/26/93/41/135269341.db2.gz JZELNBBXCIQSQE-ZYHUDNBSSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](NC1CC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261986189 135269342 /nfs/dbraw/zinc/26/93/42/135269342.db2.gz JZELNBBXCIQSQE-ZYHUDNBSSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000262014799 135272969 /nfs/dbraw/zinc/27/29/69/135272969.db2.gz VLRDSYGVLDDKLT-CYBMUJFWSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](O)C[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262100134 135278916 /nfs/dbraw/zinc/27/89/16/135278916.db2.gz VMROVTRTOHFYGP-XQQFMLRXSA-N 1 3 226.364 1.221 20 0 BDADHO [NH3+]CCN1CCNC[C@H]1c1ccccc1Cl ZINC000262200113 135289494 /nfs/dbraw/zinc/28/94/94/135289494.db2.gz KHXZCCFZQZSIGB-LBPRGKRZSA-N 1 3 239.750 1.245 20 0 BDADHO C([C@H]1CCC[NH2+]C1)N1CCN(C2CCC2)CC1 ZINC000262283709 135289582 /nfs/dbraw/zinc/28/95/82/135289582.db2.gz VDNVXTMSPKNRFJ-ZDUSSCGKSA-N 1 3 237.391 1.156 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342752431 135311026 /nfs/dbraw/zinc/31/10/26/135311026.db2.gz OVDAUHUMQALNDG-CHWSQXEVSA-N 1 3 241.379 1.010 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299893954 135380739 /nfs/dbraw/zinc/38/07/39/135380739.db2.gz QWILHNZOHWUPLU-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1C[C@H]2CCCN[C@H]2C1 ZINC000299893954 135380740 /nfs/dbraw/zinc/38/07/40/135380740.db2.gz QWILHNZOHWUPLU-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO Cc1c[nH+]ccc1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000334388771 135384798 /nfs/dbraw/zinc/38/47/98/135384798.db2.gz RBVMCVDLRDSNKL-TXEJJXNPSA-N 1 3 219.332 1.919 20 0 BDADHO C[C@H]1C[C@@H](NCC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567855 136108195 /nfs/dbraw/zinc/10/81/95/136108195.db2.gz GKBKYEFNWWIWGF-NWDGAFQWSA-N 1 3 248.374 1.868 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)NC ZINC000054071614 322855263 /nfs/dbraw/zinc/85/52/63/322855263.db2.gz RMNCPBVKYNJEOX-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO C[C@H](C[NH3+])C(=O)Nc1ccc(CN(C)C)cc1 ZINC000054339701 322856143 /nfs/dbraw/zinc/85/61/43/322856143.db2.gz QTOTVPGUPXKCPU-SNVBAGLBSA-N 1 3 235.331 1.282 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](C[C@H]3CCCN3C)C2)C1 ZINC000649617654 398000194 /nfs/dbraw/zinc/00/01/94/398000194.db2.gz RYQLYYFEVCIZNT-ZIAGYGMSSA-N 1 3 237.391 1.108 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](C[C@H]3CCCN3C)C2)C1 ZINC000649617654 398000197 /nfs/dbraw/zinc/00/01/97/398000197.db2.gz RYQLYYFEVCIZNT-ZIAGYGMSSA-N 1 3 237.391 1.108 20 0 BDADHO Cc1cncc([C@@H](C)[NH2+]CCCN(C)C)c1 ZINC000184252006 398014036 /nfs/dbraw/zinc/01/40/36/398014036.db2.gz PJEVNDWGVYQYGI-GFCCVEGCSA-N 1 3 221.348 1.992 20 0 BDADHO COc1ccc([C@@H]2CCN(CCC[NH3+])C2)cc1 ZINC000414689760 398019607 /nfs/dbraw/zinc/01/96/07/398019607.db2.gz GVTYXRQFLGYHRV-CYBMUJFWSA-N 1 3 234.343 1.833 20 0 BDADHO Nc1ccncc1-c1cccc2c1CC[NH2+]C2 ZINC000164661616 398042409 /nfs/dbraw/zinc/04/24/09/398042409.db2.gz SSGMDYCEUODKAE-UHFFFAOYSA-N 1 3 225.295 1.977 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCCNC1 ZINC000414857832 398065973 /nfs/dbraw/zinc/06/59/73/398065973.db2.gz QHMDMVWCYQYPRN-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCCOCC2)CCCNC1 ZINC000334873909 398113312 /nfs/dbraw/zinc/11/33/12/398113312.db2.gz KNKIBBFNNDXBRR-OLZOCXBDSA-N 1 3 226.364 1.535 20 0 BDADHO COCCN1CCC(Nc2cc[nH+]c(C)c2)CC1 ZINC000220937981 398113938 /nfs/dbraw/zinc/11/39/38/398113938.db2.gz ZIXOAZFSUUCSTR-UHFFFAOYSA-N 1 3 249.358 1.913 20 0 BDADHO CCC[C@H](C)CNC[C@@]1(COC)CCC[NH2+]1 ZINC000414948284 398122711 /nfs/dbraw/zinc/12/27/11/398122711.db2.gz WYQCWYMMPBUXLR-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCC[NH2+]CC2)O1 ZINC000398107441 322864221 /nfs/dbraw/zinc/86/42/21/322864221.db2.gz AHZUEXCNMGWYCV-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928408 167030150 /nfs/dbraw/zinc/03/01/50/167030150.db2.gz UBACTOHFIHUTLQ-YNEHKIRRSA-N 1 3 208.349 1.811 20 0 BDADHO CC(C)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928408 167030152 /nfs/dbraw/zinc/03/01/52/167030152.db2.gz UBACTOHFIHUTLQ-YNEHKIRRSA-N 1 3 208.349 1.811 20 0 BDADHO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCN1CCNCC1 ZINC000662320281 487560330 /nfs/dbraw/zinc/56/03/30/487560330.db2.gz SPKPYHGVBYUPGY-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO CC[C@@H]1CCC[C@H](C)[N@H+]1CCN1CCNCC1 ZINC000662320281 487560336 /nfs/dbraw/zinc/56/03/36/487560336.db2.gz SPKPYHGVBYUPGY-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@H](OC)C2CCC2)C1 ZINC000662247163 409546385 /nfs/dbraw/zinc/54/63/85/409546385.db2.gz UKRGGAIIMMZYNE-YPMHNXCESA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662249536 409548828 /nfs/dbraw/zinc/54/88/28/409548828.db2.gz WLDCPLZGJNNMKZ-NSHDSACASA-N 1 3 212.337 1.239 20 0 BDADHO CCC[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662249536 409548835 /nfs/dbraw/zinc/54/88/35/409548835.db2.gz WLDCPLZGJNNMKZ-NSHDSACASA-N 1 3 212.337 1.239 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[N@@H+]1CCC2(CCC2)C1 ZINC000662255361 409551150 /nfs/dbraw/zinc/55/11/50/409551150.db2.gz OUOPRXKJMGEWIK-GFCCVEGCSA-N 1 3 236.359 1.383 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[N@H+]1CCC2(CCC2)C1 ZINC000662255361 409551157 /nfs/dbraw/zinc/55/11/57/409551157.db2.gz OUOPRXKJMGEWIK-GFCCVEGCSA-N 1 3 236.359 1.383 20 0 BDADHO CCC1(CC)CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000662308599 409633272 /nfs/dbraw/zinc/63/32/72/409633272.db2.gz BTJHVCGSXTVLLI-CYBMUJFWSA-N 1 3 242.407 1.859 20 0 BDADHO CCC1(CC)CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000662308599 409633280 /nfs/dbraw/zinc/63/32/80/409633280.db2.gz BTJHVCGSXTVLLI-CYBMUJFWSA-N 1 3 242.407 1.859 20 0 BDADHO CCC1(CC)CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000662308599 409633289 /nfs/dbraw/zinc/63/32/89/409633289.db2.gz BTJHVCGSXTVLLI-CYBMUJFWSA-N 1 3 242.407 1.859 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCO[C@H]1CC1(F)F ZINC000662276550 409590885 /nfs/dbraw/zinc/59/08/85/409590885.db2.gz KHKVJLARXLQVKN-ZJUUUORDSA-N 1 3 248.317 1.388 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000662276550 409590888 /nfs/dbraw/zinc/59/08/88/409590888.db2.gz KHKVJLARXLQVKN-ZJUUUORDSA-N 1 3 248.317 1.388 20 0 BDADHO COCCCCN1CCC(C)([NH3+])CC1 ZINC000309107081 410248950 /nfs/dbraw/zinc/24/89/50/410248950.db2.gz IKIHNBYRFHKMJL-UHFFFAOYSA-N 1 3 200.326 1.226 20 0 BDADHO CC1(C)CC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663498129 410276323 /nfs/dbraw/zinc/27/63/23/410276323.db2.gz MCJPXMAXXBILCS-QWKFWESOSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663498129 410276330 /nfs/dbraw/zinc/27/63/30/410276330.db2.gz MCJPXMAXXBILCS-QWKFWESOSA-N 1 3 208.349 1.907 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653268645 410322793 /nfs/dbraw/zinc/32/27/93/410322793.db2.gz YAFPFZKGPMMHKS-CYBMUJFWSA-N 1 3 241.379 1.010 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650712178 410342317 /nfs/dbraw/zinc/34/23/17/410342317.db2.gz UXDCQYXTYVBLDC-GWCFXTLKSA-N 1 3 236.363 1.667 20 0 BDADHO CN(CCN1CCCCC1)C[C@]1(C)CC[NH2+]C1 ZINC000650725310 410363623 /nfs/dbraw/zinc/36/36/23/410363623.db2.gz XTFXLHUMVKSZEH-CQSZACIVSA-N 1 3 239.407 1.404 20 0 BDADHO C[C@H]1C[C@@H](NCCC2(C[NH3+])CC2)c2nccn21 ZINC000650746829 410387177 /nfs/dbraw/zinc/38/71/77/410387177.db2.gz MAZPUYLYSYSSDY-WDEREUQCSA-N 1 3 234.347 1.608 20 0 BDADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccncn1 ZINC000650761724 410409095 /nfs/dbraw/zinc/40/90/95/410409095.db2.gz IPNJRLJAIDCCQH-LLVKDONJSA-N 1 3 234.347 1.517 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(N)c1 ZINC000665232938 410723978 /nfs/dbraw/zinc/72/39/78/410723978.db2.gz YBINCJXNKAFNAZ-GDLCADMTSA-N 1 3 249.358 1.111 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000665265108 410736549 /nfs/dbraw/zinc/73/65/49/410736549.db2.gz PHTPUKKFJWYFOA-FVCCEPFGSA-N 1 3 226.364 1.804 20 0 BDADHO C1=C(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000665274241 410744009 /nfs/dbraw/zinc/74/40/09/410744009.db2.gz MFGZVSZPDBPRED-FUNVUKJBSA-N 1 3 206.333 1.969 20 0 BDADHO CC[C@@H]([NH2+]CC12CC(C1)CN2)C1CCC1 ZINC000665279567 410754791 /nfs/dbraw/zinc/75/47/91/410754791.db2.gz GFRWAUWPDYJEFY-YXMLORGKSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@@H](NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC000665279567 410754795 /nfs/dbraw/zinc/75/47/95/410754795.db2.gz GFRWAUWPDYJEFY-YXMLORGKSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000393862718 410763038 /nfs/dbraw/zinc/76/30/38/410763038.db2.gz KOBDQQQFVFBZOC-MGPQQGTHSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000393862718 410763042 /nfs/dbraw/zinc/76/30/42/410763042.db2.gz KOBDQQQFVFBZOC-MGPQQGTHSA-N 1 3 242.407 1.665 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOCCF ZINC000665298819 410832658 /nfs/dbraw/zinc/83/26/58/410832658.db2.gz AIEOBAZHMGKZLD-CHWSQXEVSA-N 1 3 246.370 1.873 20 0 BDADHO CC(C)OCC[N@H+](C)C1CCNCC1 ZINC000049260890 167230077 /nfs/dbraw/zinc/23/00/77/167230077.db2.gz DEWDIPMCTDXDBZ-UHFFFAOYSA-N 1 3 200.326 1.095 20 0 BDADHO CC(C)OCC[N@@H+](C)C1CCNCC1 ZINC000049260890 167230079 /nfs/dbraw/zinc/23/00/79/167230079.db2.gz DEWDIPMCTDXDBZ-UHFFFAOYSA-N 1 3 200.326 1.095 20 0 BDADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000041680144 410933654 /nfs/dbraw/zinc/93/36/54/410933654.db2.gz VGWQSBKWXQLPJD-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO C[N@H+](CC1CCOCC1)[C@@H]1CCCNCC1 ZINC000082666941 411151571 /nfs/dbraw/zinc/15/15/71/411151571.db2.gz GOWFRVUQZACSSW-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC1CCOCC1)[C@@H]1CCCNCC1 ZINC000082666941 411151576 /nfs/dbraw/zinc/15/15/76/411151576.db2.gz GOWFRVUQZACSSW-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO COC1([C@@H](C)[NH2+]CC2=CCN(C)CC2)CCC1 ZINC000657936564 411173312 /nfs/dbraw/zinc/17/33/12/411173312.db2.gz GHIOLEIZOSNUPP-GFCCVEGCSA-N 1 3 238.375 1.796 20 0 BDADHO C[NH+]1CCC(NCc2ccc(CO)cc2)CC1 ZINC000133027754 411190913 /nfs/dbraw/zinc/19/09/13/411190913.db2.gz TZDNOADSPQMJKT-UHFFFAOYSA-N 1 3 234.343 1.363 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198153 411202883 /nfs/dbraw/zinc/20/28/83/411202883.db2.gz HUNOTZJMADKSIZ-FVCCEPFGSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H](N[C@H]1CCCN2CCCC[C@H]12)C1C[NH2+]C1 ZINC000656201458 411205852 /nfs/dbraw/zinc/20/58/52/411205852.db2.gz PKYZAKGYGITKMX-FPMFFAJLSA-N 1 3 237.391 1.201 20 0 BDADHO COC[C@H](CC(C)(C)C)N[C@H](C)C1C[NH2+]C1 ZINC000656202160 411206355 /nfs/dbraw/zinc/20/63/55/411206355.db2.gz ZEHQTELIFROALT-PWSUYJOCSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CC(C)(C)C)[NH2+][C@H](C)C1CNC1 ZINC000656202160 411206356 /nfs/dbraw/zinc/20/63/56/411206356.db2.gz ZEHQTELIFROALT-PWSUYJOCSA-N 1 3 228.380 1.635 20 0 BDADHO C[C@H](N[C@H]1CCCN2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000656201461 411206631 /nfs/dbraw/zinc/20/66/31/411206631.db2.gz PKYZAKGYGITKMX-UBHSHLNASA-N 1 3 237.391 1.201 20 0 BDADHO CC(C)COCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310188566 411219092 /nfs/dbraw/zinc/21/90/92/411219092.db2.gz YDZMSPGRBYXMAL-KBPBESRZSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)COCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000310188566 411219094 /nfs/dbraw/zinc/21/90/94/411219094.db2.gz YDZMSPGRBYXMAL-KBPBESRZSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)COCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000310188566 411219096 /nfs/dbraw/zinc/21/90/96/411219096.db2.gz YDZMSPGRBYXMAL-KBPBESRZSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)[NH2+]Cc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000658138414 411263728 /nfs/dbraw/zinc/26/37/28/411263728.db2.gz MYIAUHSAVPGQEJ-HNNXBMFYSA-N 1 3 248.370 1.751 20 0 BDADHO C[C@@H]1C[C@@H](NCCO[C@H]2CC2(F)F)CC[N@@H+]1C ZINC000658170493 411280132 /nfs/dbraw/zinc/28/01/32/411280132.db2.gz SZZCNJCZEMFWQI-VWYCJHECSA-N 1 3 248.317 1.483 20 0 BDADHO C[C@@H]1C[C@@H](NCCO[C@H]2CC2(F)F)CC[N@H+]1C ZINC000658170493 411280136 /nfs/dbraw/zinc/28/01/36/411280136.db2.gz SZZCNJCZEMFWQI-VWYCJHECSA-N 1 3 248.317 1.483 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](NCC2CCOCC2)C1 ZINC000401710283 411299210 /nfs/dbraw/zinc/29/92/10/411299210.db2.gz DHYQHBQXHPGFOZ-JQWIXIFHSA-N 1 3 212.337 1.001 20 0 BDADHO Cc1ccc(C)c(CN(C)CCOCC[NH3+])c1 ZINC000310066275 411322452 /nfs/dbraw/zinc/32/24/52/411322452.db2.gz KWAALUQYHRPNTC-UHFFFAOYSA-N 1 3 236.359 1.711 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@H](C)CN(C)C)CCO1 ZINC000309801970 411252805 /nfs/dbraw/zinc/25/28/05/411252805.db2.gz WRATVHIIMPGLIZ-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C/C=C/CO)CC1 ZINC000658134486 411259822 /nfs/dbraw/zinc/25/98/22/411259822.db2.gz RCFXUADZTLMPMD-SNAWJCMRSA-N 1 3 226.364 1.387 20 0 BDADHO Cc1ccc(CCC[N@@H+](C)CC(C)(C)N)cn1 ZINC000656786373 411365531 /nfs/dbraw/zinc/36/55/31/411365531.db2.gz YFZRZXBVJOXPOH-UHFFFAOYSA-N 1 3 235.375 1.992 20 0 BDADHO Cc1ccc(CCC[N@H+](C)CC(C)(C)N)cn1 ZINC000656786373 411365534 /nfs/dbraw/zinc/36/55/34/411365534.db2.gz YFZRZXBVJOXPOH-UHFFFAOYSA-N 1 3 235.375 1.992 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788062 411367665 /nfs/dbraw/zinc/36/76/65/411367665.db2.gz OJCXSGNNDNFXIM-MELADBBJSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788062 411367670 /nfs/dbraw/zinc/36/76/70/411367670.db2.gz OJCXSGNNDNFXIM-MELADBBJSA-N 1 3 240.391 1.718 20 0 BDADHO C[N@H+](C[C@H](O)CNC[C@]1(C)CC1(F)F)C1CC1 ZINC000656711501 411337517 /nfs/dbraw/zinc/33/75/17/411337517.db2.gz STXQZEUCGSDJGG-MNOVXSKESA-N 1 3 248.317 1.076 20 0 BDADHO C[N@@H+](C[C@H](O)CNC[C@]1(C)CC1(F)F)C1CC1 ZINC000656711501 411337518 /nfs/dbraw/zinc/33/75/18/411337518.db2.gz STXQZEUCGSDJGG-MNOVXSKESA-N 1 3 248.317 1.076 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562267 411372190 /nfs/dbraw/zinc/37/21/90/411372190.db2.gz GXMKXSXESSLCGA-KPFVRQRISA-N 1 3 226.364 1.255 20 0 BDADHO CC1([NH2+]C[C@H]2CCCNC2)CCOCC1 ZINC000229894696 168063337 /nfs/dbraw/zinc/06/33/37/168063337.db2.gz WESOOELRETTXCI-NSHDSACASA-N 1 3 212.337 1.145 20 0 BDADHO Cc1cnccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000129720473 411377992 /nfs/dbraw/zinc/37/79/92/411377992.db2.gz CBUATVDLMMHOCK-CHWSQXEVSA-N 1 3 219.332 1.750 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)CNC(C)C ZINC000659302379 411391139 /nfs/dbraw/zinc/39/11/39/411391139.db2.gz FPASCANGFVZYLJ-UHFFFAOYSA-N 1 3 235.331 1.343 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308330 411457582 /nfs/dbraw/zinc/45/75/82/411457582.db2.gz ZLDKPKVDGYBSDE-OUCADQQQSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308330 411457584 /nfs/dbraw/zinc/45/75/84/411457584.db2.gz ZLDKPKVDGYBSDE-OUCADQQQSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H](N)c1ccccc1 ZINC000414824615 411448095 /nfs/dbraw/zinc/44/80/95/411448095.db2.gz BACRLGUDSUXMRU-BPLDGKMQSA-N 1 3 247.386 1.807 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CO1 ZINC000657295705 411454018 /nfs/dbraw/zinc/45/40/18/411454018.db2.gz JRDJXCXRVRHRIL-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@@H]1C[C@H](NCCC[NH+]2CCCC2)CO1 ZINC000657295705 411454021 /nfs/dbraw/zinc/45/40/21/411454021.db2.gz JRDJXCXRVRHRIL-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO COc1ccc(C[NH2+][C@@H](C)CN)cc1Cl ZINC000414944435 411472826 /nfs/dbraw/zinc/47/28/26/411472826.db2.gz OCCDSSNMGMDCRI-QMMMGPOBSA-N 1 3 228.723 1.785 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2nccn21 ZINC000655803876 411518770 /nfs/dbraw/zinc/51/87/70/411518770.db2.gz GWFRJLSBNHOUFF-FVCCEPFGSA-N 1 3 248.374 1.819 20 0 BDADHO CC[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483150 411529253 /nfs/dbraw/zinc/52/92/53/411529253.db2.gz KUFJLTWDULRXNI-ZVLQPQRZSA-N 1 3 238.375 1.769 20 0 BDADHO CC[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483150 411529255 /nfs/dbraw/zinc/52/92/55/411529255.db2.gz KUFJLTWDULRXNI-ZVLQPQRZSA-N 1 3 238.375 1.769 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037893975 170014890 /nfs/dbraw/zinc/01/48/90/170014890.db2.gz QWWPIXUZXRAJMW-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOCC2CC2)[C@@H](C)C1 ZINC000358078095 170020511 /nfs/dbraw/zinc/02/05/11/170020511.db2.gz DKAOYPZVBUKNAP-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOCC2CC2)[C@@H](C)C1 ZINC000358078095 170020515 /nfs/dbraw/zinc/02/05/15/170020515.db2.gz DKAOYPZVBUKNAP-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CC[C@H]([NH2+]Cc2c[nH]nc2C)[C@@H](C)C1 ZINC000358168929 170020906 /nfs/dbraw/zinc/02/09/06/170020906.db2.gz OIIOLGDOIKBMCO-GWCFXTLKSA-N 1 3 236.363 1.538 20 0 BDADHO CCNC(=[NH2+])NCCCN(C)Cc1ccccc1 ZINC000052041130 170041639 /nfs/dbraw/zinc/04/16/39/170041639.db2.gz RYUISTUVWQYTJO-UHFFFAOYSA-N 1 3 248.374 1.642 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC[C@@H](C)C1 ZINC000660310610 411566993 /nfs/dbraw/zinc/56/69/93/411566993.db2.gz OUGNRKKVIPUIBY-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC[C@@H](C)C1 ZINC000660310610 411566995 /nfs/dbraw/zinc/56/69/95/411566995.db2.gz OUGNRKKVIPUIBY-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657611180 411563221 /nfs/dbraw/zinc/56/32/21/411563221.db2.gz KSEZDVZKHZGETA-XUXIUFHCSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657611180 411563222 /nfs/dbraw/zinc/56/32/22/411563222.db2.gz KSEZDVZKHZGETA-XUXIUFHCSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889582 170332228 /nfs/dbraw/zinc/33/22/28/170332228.db2.gz XXCJVHFWLKRBGL-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CCOC1CC[NH+](C2CCNCC2)CC1 ZINC000040689532 170332602 /nfs/dbraw/zinc/33/26/02/170332602.db2.gz MTTQSFXTPGSPBH-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CCOCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121869782 170374278 /nfs/dbraw/zinc/37/42/78/170374278.db2.gz ORVICWBLGQONKC-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO CCOCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121869782 170374280 /nfs/dbraw/zinc/37/42/80/170374280.db2.gz ORVICWBLGQONKC-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO CCOCC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000063195298 170397447 /nfs/dbraw/zinc/39/74/47/170397447.db2.gz PPAFFHSLSCRNGJ-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000063195298 170397446 /nfs/dbraw/zinc/39/74/46/170397446.db2.gz PPAFFHSLSCRNGJ-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000660416043 411582205 /nfs/dbraw/zinc/58/22/05/411582205.db2.gz NFWBPGAHXZEOBN-STQMWFEESA-N 1 3 244.379 1.064 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000660416043 411582206 /nfs/dbraw/zinc/58/22/06/411582206.db2.gz NFWBPGAHXZEOBN-STQMWFEESA-N 1 3 244.379 1.064 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]CC12CC(C1)CN2 ZINC000663497551 411679937 /nfs/dbraw/zinc/67/99/37/411679937.db2.gz HGAVQIJCECJWPM-LMWSTFAQSA-N 1 3 238.375 1.533 20 0 BDADHO C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C12CC(C1)CN2 ZINC000663498586 411681810 /nfs/dbraw/zinc/68/18/10/411681810.db2.gz QLUBJNAFZVQUDG-PXELTDHWSA-N 1 3 248.370 1.286 20 0 BDADHO Cc1ccc(CCC[NH2+]CC23CC(C2)CN3)cn1 ZINC000663501943 411685229 /nfs/dbraw/zinc/68/52/29/411685229.db2.gz ZXFKNXZFQHKVEN-UHFFFAOYSA-N 1 3 245.370 1.664 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]CC[C@H]1CCOC1 ZINC000663502044 411685358 /nfs/dbraw/zinc/68/53/58/411685358.db2.gz DROIKOJJVVVKLS-NWDGAFQWSA-N 1 3 214.353 1.376 20 0 BDADHO c1cc2c(ccnc2N2CC[N@@H+]3CCC[C@H]3C2)[nH]1 ZINC000663567341 411702256 /nfs/dbraw/zinc/70/22/56/411702256.db2.gz XXZGPTVQZKIVDJ-NSHDSACASA-N 1 3 242.326 1.847 20 0 BDADHO c1cc2c(ccnc2N2CC[N@H+]3CCC[C@H]3C2)[nH]1 ZINC000663567341 411702261 /nfs/dbraw/zinc/70/22/61/411702261.db2.gz XXZGPTVQZKIVDJ-NSHDSACASA-N 1 3 242.326 1.847 20 0 BDADHO C[C@@H]1CN(c2nccc3[nH]ccc32)C[C@@H]1[NH+](C)C ZINC000663709299 411729093 /nfs/dbraw/zinc/72/90/93/411729093.db2.gz OPLSRUMGBGLING-MFKMUULPSA-N 1 3 244.342 1.949 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661699681 411844936 /nfs/dbraw/zinc/84/49/36/411844936.db2.gz DSYTYWJEVIIYDR-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661699681 411844940 /nfs/dbraw/zinc/84/49/40/411844940.db2.gz DSYTYWJEVIIYDR-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CO[C@H](CN1CCC([NH3+])CC1)C1CCCC1 ZINC000662240982 412037700 /nfs/dbraw/zinc/03/77/00/412037700.db2.gz OPYAEHXNZUURCW-CYBMUJFWSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](CN[C@@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247917 412044893 /nfs/dbraw/zinc/04/48/93/412044893.db2.gz OOLZQCHHECSPLW-OLZOCXBDSA-N 1 3 226.364 1.519 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCO[C@@H]1CC1(F)F ZINC000662249945 412046443 /nfs/dbraw/zinc/04/64/43/412046443.db2.gz VWUABVZFMKHDGO-ZJUUUORDSA-N 1 3 236.306 1.374 20 0 BDADHO CC[C@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662253477 412048361 /nfs/dbraw/zinc/04/83/61/412048361.db2.gz WGZCHNKODHACDB-WDEREUQCSA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662253477 412048363 /nfs/dbraw/zinc/04/83/63/412048363.db2.gz WGZCHNKODHACDB-WDEREUQCSA-N 1 3 212.337 1.238 20 0 BDADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)CC(C)(C)C ZINC000662251361 412048450 /nfs/dbraw/zinc/04/84/50/412048450.db2.gz AQGXYACFTBBASM-NSHDSACASA-N 1 3 226.364 1.485 20 0 BDADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)CC(C)(C)C ZINC000662251361 412048455 /nfs/dbraw/zinc/04/84/55/412048455.db2.gz AQGXYACFTBBASM-NSHDSACASA-N 1 3 226.364 1.485 20 0 BDADHO CCC[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252091 412049846 /nfs/dbraw/zinc/04/98/46/412049846.db2.gz JTJNUTCGQPFBRA-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252091 412049850 /nfs/dbraw/zinc/04/98/50/412049850.db2.gz JTJNUTCGQPFBRA-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H]1C[N@H+](CCCN(CC)CC)C[C@H]1O ZINC000338281808 171080930 /nfs/dbraw/zinc/08/09/30/171080930.db2.gz UUERCYVASRXGTR-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H]1C[N@@H+](CCCN(CC)CC)C[C@H]1O ZINC000338281808 171080932 /nfs/dbraw/zinc/08/09/32/171080932.db2.gz UUERCYVASRXGTR-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H]1C[N@H+](CCCN(CC)CC)C[C@@H]1O ZINC000338281810 171082236 /nfs/dbraw/zinc/08/22/36/171082236.db2.gz UUERCYVASRXGTR-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H]1C[N@@H+](CCCN(CC)CC)C[C@@H]1O ZINC000338281810 171082238 /nfs/dbraw/zinc/08/22/38/171082238.db2.gz UUERCYVASRXGTR-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000341009147 171084355 /nfs/dbraw/zinc/08/43/55/171084355.db2.gz LMEPQFPIKUKNOE-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000341009147 171084357 /nfs/dbraw/zinc/08/43/57/171084357.db2.gz LMEPQFPIKUKNOE-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO CO[C@H](CN1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000662273551 412064935 /nfs/dbraw/zinc/06/49/35/412064935.db2.gz OELRZWOYUVFJQP-MELADBBJSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000662280176 412071022 /nfs/dbraw/zinc/07/10/22/412071022.db2.gz DDQOICPYGXAGEG-RKQHYHRCSA-N 1 3 222.376 1.949 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000662280176 412071024 /nfs/dbraw/zinc/07/10/24/412071024.db2.gz DDQOICPYGXAGEG-RKQHYHRCSA-N 1 3 222.376 1.949 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279835 412071094 /nfs/dbraw/zinc/07/10/94/412071094.db2.gz MEYDOFZTHBUCHI-UPJWGTAASA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279835 412071095 /nfs/dbraw/zinc/07/10/95/412071095.db2.gz MEYDOFZTHBUCHI-UPJWGTAASA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368385833 171207249 /nfs/dbraw/zinc/20/72/49/171207249.db2.gz RDKWRYLUNMORSE-KQXIARHKSA-N 1 3 222.332 1.243 20 0 BDADHO C[C@H]1CC[N@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281917 412073166 /nfs/dbraw/zinc/07/31/66/412073166.db2.gz MMUSJOKOUFVORT-AAEUAGOBSA-N 1 3 208.349 1.869 20 0 BDADHO C[C@H]1CC[N@@H+](CC2CC=CC2)C[C@@H]1CN ZINC000662281917 412073169 /nfs/dbraw/zinc/07/31/69/412073169.db2.gz MMUSJOKOUFVORT-AAEUAGOBSA-N 1 3 208.349 1.869 20 0 BDADHO CCO[C@@H]1CN(CCC=C(C)C)C[C@H]1C[NH3+] ZINC000662285302 412076410 /nfs/dbraw/zinc/07/64/10/412076410.db2.gz JGOGPWZVAPBDTG-CHWSQXEVSA-N 1 3 226.364 1.638 20 0 BDADHO c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)on1 ZINC000662294020 412082723 /nfs/dbraw/zinc/08/27/23/412082723.db2.gz AECUZBFCDHBZFG-CYBMUJFWSA-N 1 3 249.358 1.886 20 0 BDADHO CC[C@H](C)N(CCO)CC[C@H]1CCC[N@@H+]1C ZINC000336659126 171313111 /nfs/dbraw/zinc/31/31/11/171313111.db2.gz MTLSJBGQQAEFGF-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](C)N(CCO)CC[C@H]1CCC[N@H+]1C ZINC000336659126 171313112 /nfs/dbraw/zinc/31/31/12/171313112.db2.gz MTLSJBGQQAEFGF-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](C)[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662290192 412079938 /nfs/dbraw/zinc/07/99/38/412079938.db2.gz MSBCVIWVCLKBIG-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](C)[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662290192 412079942 /nfs/dbraw/zinc/07/99/42/412079942.db2.gz MSBCVIWVCLKBIG-NWDGAFQWSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638518 171348570 /nfs/dbraw/zinc/34/85/70/171348570.db2.gz XZYWYFMBFAXMOC-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO C[N@H+](CCCOCC(F)(F)F)CC(C)(C)N ZINC000662293434 412081183 /nfs/dbraw/zinc/08/11/83/412081183.db2.gz REUSTAWBZKITHG-UHFFFAOYSA-N 1 3 242.285 1.625 20 0 BDADHO C[N@@H+](CCCOCC(F)(F)F)CC(C)(C)N ZINC000662293434 412081184 /nfs/dbraw/zinc/08/11/84/412081184.db2.gz REUSTAWBZKITHG-UHFFFAOYSA-N 1 3 242.285 1.625 20 0 BDADHO CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336675545 171364290 /nfs/dbraw/zinc/36/42/90/171364290.db2.gz BLGWDHVWHRUMKX-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO [NH3+]CC12CC(C1)CN2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662307234 412092678 /nfs/dbraw/zinc/09/26/78/412092678.db2.gz XNXUQCROKPHJIW-HUEPFSFMSA-N 1 3 220.360 1.846 20 0 BDADHO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCN)cn1 ZINC000662310257 412094006 /nfs/dbraw/zinc/09/40/06/412094006.db2.gz IYWKMFFZQFWIFI-OLZOCXBDSA-N 1 3 236.363 1.070 20 0 BDADHO C[NH2+]CCCN1CC[C@]2(C1)CCCOC2 ZINC000662316174 412096724 /nfs/dbraw/zinc/09/67/24/412096724.db2.gz VWUGIPSXDAATMS-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO CNCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316174 412096728 /nfs/dbraw/zinc/09/67/28/412096728.db2.gz VWUGIPSXDAATMS-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO CNCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316174 412096731 /nfs/dbraw/zinc/09/67/31/412096731.db2.gz VWUGIPSXDAATMS-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO NCCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327353 412105361 /nfs/dbraw/zinc/10/53/61/412105361.db2.gz OHBSMDFBOMIMJV-BETUJISGSA-N 1 3 224.348 1.228 20 0 BDADHO NCCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327353 412105364 /nfs/dbraw/zinc/10/53/64/412105364.db2.gz OHBSMDFBOMIMJV-BETUJISGSA-N 1 3 224.348 1.228 20 0 BDADHO CC[C@H](COCC1CC1)N[C@H](C)C[C@@H](C)[NH3+] ZINC000665236170 412176417 /nfs/dbraw/zinc/17/64/17/412176417.db2.gz ISFBPQQGPRLXOK-NQBHXWOUSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000665237509 412178929 /nfs/dbraw/zinc/17/89/29/412178929.db2.gz CDDKAPGRRLPIGE-QNWHQSFQSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CCCCN1 ZINC000665244248 412185549 /nfs/dbraw/zinc/18/55/49/412185549.db2.gz JQPQULKEJMXKHL-VWYCJHECSA-N 1 3 248.317 1.531 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCCC2)CN1C1CC1 ZINC000665249408 412195372 /nfs/dbraw/zinc/19/53/72/412195372.db2.gz PUCQQAYLHZREKF-NEPJUHHUSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@@H]1C[C@H](NCC2([NH3+])CCCC2)CN1C1CC1 ZINC000665249408 412195373 /nfs/dbraw/zinc/19/53/73/412195373.db2.gz PUCQQAYLHZREKF-NEPJUHHUSA-N 1 3 237.391 1.473 20 0 BDADHO CC(C)(F)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665261474 412203448 /nfs/dbraw/zinc/20/34/48/412203448.db2.gz CWOZLDTZOJMOSW-ZACCUICWSA-N 1 3 214.328 1.997 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccoc1 ZINC000665261521 412204406 /nfs/dbraw/zinc/20/44/06/412204406.db2.gz FIEYRJOWWFEXFY-WCFLWFBJSA-N 1 3 238.331 1.164 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665261521 412204410 /nfs/dbraw/zinc/20/44/10/412204410.db2.gz FIEYRJOWWFEXFY-WCFLWFBJSA-N 1 3 238.331 1.164 20 0 BDADHO CC[C@@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000665261698 412204813 /nfs/dbraw/zinc/20/48/13/412204813.db2.gz JTRKXFCBQDCIAT-VWYCJHECSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)(F)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000665262022 412204869 /nfs/dbraw/zinc/20/48/69/412204869.db2.gz RMODRTXUJFMBFG-ZJUUUORDSA-N 1 3 202.317 1.842 20 0 BDADHO Cc1cncc(CCN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665273678 412215406 /nfs/dbraw/zinc/21/54/06/412215406.db2.gz BNLIITLHDFBOMH-YPMHNXCESA-N 1 3 234.347 1.045 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665263556 412206760 /nfs/dbraw/zinc/20/67/60/412206760.db2.gz OZIJIFRGYMDWDF-VXGBXAGGSA-N 1 3 208.305 1.539 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccoc1 ZINC000665263556 412206763 /nfs/dbraw/zinc/20/67/63/412206763.db2.gz OZIJIFRGYMDWDF-VXGBXAGGSA-N 1 3 208.305 1.539 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2CCC[C@@H]2CN)n1 ZINC000665273678 412215408 /nfs/dbraw/zinc/21/54/08/412215408.db2.gz BNLIITLHDFBOMH-YPMHNXCESA-N 1 3 234.347 1.045 20 0 BDADHO C[C@]1(CN[C@H]2CCC[C@H]2[NH3+])CC1(F)F ZINC000665265543 412209479 /nfs/dbraw/zinc/20/94/79/412209479.db2.gz XYJFVEZHJRMXKH-HRDYMLBCSA-N 1 3 204.264 1.501 20 0 BDADHO C[C@@H](NC[C@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665267211 412210266 /nfs/dbraw/zinc/21/02/66/412210266.db2.gz RTJLMYGYIHCMAZ-APPZFPTMSA-N 1 3 204.264 1.229 20 0 BDADHO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CNC1 ZINC000665267211 412210267 /nfs/dbraw/zinc/21/02/67/412210267.db2.gz RTJLMYGYIHCMAZ-APPZFPTMSA-N 1 3 204.264 1.229 20 0 BDADHO C[C@H](NC[C@]1(C)CC1(F)F)C1C[NH2+]C1 ZINC000665267212 412211224 /nfs/dbraw/zinc/21/12/24/412211224.db2.gz RTJLMYGYIHCMAZ-CBAPKCEASA-N 1 3 204.264 1.229 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CNC1 ZINC000665267212 412211228 /nfs/dbraw/zinc/21/12/28/412211228.db2.gz RTJLMYGYIHCMAZ-CBAPKCEASA-N 1 3 204.264 1.229 20 0 BDADHO Nc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000665232599 412170812 /nfs/dbraw/zinc/17/08/12/412170812.db2.gz PXPHDNYFWUBIBN-YPMHNXCESA-N 1 3 219.332 1.486 20 0 BDADHO C[C@H](N[C@H]1CCN(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235828 412173463 /nfs/dbraw/zinc/17/34/63/412173463.db2.gz ARQDEEPOWXUDJL-JQWIXIFHSA-N 1 3 225.380 1.057 20 0 BDADHO CCCN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665274719 412217041 /nfs/dbraw/zinc/21/70/41/412217041.db2.gz XAVLTGVQIYATHJ-WJLOJVBCSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1=CCCC1 ZINC000665274873 412217273 /nfs/dbraw/zinc/21/72/73/412217273.db2.gz ZVRJHZYWNRTXNV-CYZMBNFOSA-N 1 3 224.348 1.439 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C1CCOCC1 ZINC000665277963 412219094 /nfs/dbraw/zinc/21/90/94/412219094.db2.gz RCMRVDAEIBTKNR-XSRFYTQQSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H](NCC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC000665277963 412219098 /nfs/dbraw/zinc/21/90/98/412219098.db2.gz RCMRVDAEIBTKNR-XSRFYTQQSA-N 1 3 224.348 1.143 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279827 412222635 /nfs/dbraw/zinc/22/26/35/412222635.db2.gz NBDNXCJTUQCTBT-YIFLHPOLSA-N 1 3 238.375 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279827 412222637 /nfs/dbraw/zinc/22/26/37/412222637.db2.gz NBDNXCJTUQCTBT-YIFLHPOLSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1C[C@@H]1C ZINC000665280280 412224478 /nfs/dbraw/zinc/22/44/78/412224478.db2.gz XSOGQHZCQNNQKY-XNDORFDGSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@@H]1C ZINC000665280280 412224481 /nfs/dbraw/zinc/22/44/81/412224481.db2.gz XSOGQHZCQNNQKY-XNDORFDGSA-N 1 3 208.349 1.763 20 0 BDADHO FCCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665299980 412248302 /nfs/dbraw/zinc/24/83/02/412248302.db2.gz VWOKHWSEYUXEQJ-XQQFMLRXSA-N 1 3 244.354 1.483 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(C)COC1 ZINC000094721564 487624979 /nfs/dbraw/zinc/62/49/79/487624979.db2.gz LPXIOVKUOGVBRA-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](O)CC1 ZINC000334245610 173006608 /nfs/dbraw/zinc/00/66/08/173006608.db2.gz SYCVIMHDAYTLJG-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](O)CC1 ZINC000334245610 173006609 /nfs/dbraw/zinc/00/66/09/173006609.db2.gz SYCVIMHDAYTLJG-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@]12CCOC2 ZINC000341977898 173028314 /nfs/dbraw/zinc/02/83/14/173028314.db2.gz WRFVLKWOLIHLJA-KGLIPLIRSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@]12CCOC2 ZINC000341977898 173028317 /nfs/dbraw/zinc/02/83/17/173028317.db2.gz WRFVLKWOLIHLJA-KGLIPLIRSA-N 1 3 238.375 1.726 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000336712385 173036324 /nfs/dbraw/zinc/03/63/24/173036324.db2.gz RWSBANOOBFVENB-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC[C@H]21 ZINC000336712385 173036326 /nfs/dbraw/zinc/03/63/26/173036326.db2.gz RWSBANOOBFVENB-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000129155897 173037194 /nfs/dbraw/zinc/03/71/94/173037194.db2.gz MIVWTGCJAXXQQG-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000129155897 173037196 /nfs/dbraw/zinc/03/71/96/173037196.db2.gz MIVWTGCJAXXQQG-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H](CO)C(C)(C)C ZINC000309555870 173052923 /nfs/dbraw/zinc/05/29/23/173052923.db2.gz JQRFOFSOCJEKHK-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@@H](CO)C(C)(C)C ZINC000309555870 173052924 /nfs/dbraw/zinc/05/29/24/173052924.db2.gz JQRFOFSOCJEKHK-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@@H](CO)C(C)(C)C ZINC000309555870 173052926 /nfs/dbraw/zinc/05/29/26/173052926.db2.gz JQRFOFSOCJEKHK-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO C[NH2+]CC1CCN(Cc2cnn(C)c2C)CC1 ZINC000093651353 173338906 /nfs/dbraw/zinc/33/89/06/173338906.db2.gz IGZAWTXQPXTWKC-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO C[NH2+]CCCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000121219985 173348382 /nfs/dbraw/zinc/34/83/82/173348382.db2.gz REEJCEJKTCJZRM-AAEUAGOBSA-N 1 3 249.358 1.048 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@@H]2CCCOC2)C1 ZINC000082581718 173378459 /nfs/dbraw/zinc/37/84/59/173378459.db2.gz NQYSYHOCEJEYKG-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581718 173378460 /nfs/dbraw/zinc/37/84/60/173378460.db2.gz NQYSYHOCEJEYKG-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000082581718 173378462 /nfs/dbraw/zinc/37/84/62/173378462.db2.gz NQYSYHOCEJEYKG-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@H](N)C(C)C)c1 ZINC000296506111 173389386 /nfs/dbraw/zinc/38/93/86/173389386.db2.gz RIYVKCPWBRXNHP-GFCCVEGCSA-N 1 3 235.331 1.328 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000564822250 322930832 /nfs/dbraw/zinc/93/08/32/322930832.db2.gz JHZAAUBEBFFVBM-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO COCC1(C[NH+]2CCC(N(C)C)CC2)CCC1 ZINC000361285375 174097218 /nfs/dbraw/zinc/09/72/18/174097218.db2.gz DENJNTFSBSESNL-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO COCC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000069633131 174120017 /nfs/dbraw/zinc/12/00/17/174120017.db2.gz CLUBVNJMWOQUHF-ZDUSSCGKSA-N 1 3 228.380 1.718 20 0 BDADHO COCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000308879078 174193347 /nfs/dbraw/zinc/19/33/47/174193347.db2.gz VCAQHYOAZOMNBS-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO COCCC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336774391 174260533 /nfs/dbraw/zinc/26/05/33/174260533.db2.gz WUHZGMBOHBQKHE-GFCCVEGCSA-N 1 3 226.364 1.653 20 0 BDADHO COc1ccc(CC[N@@H+]2CCC[C@@H](CN)C2)cc1 ZINC000011888444 175090135 /nfs/dbraw/zinc/09/01/35/175090135.db2.gz LEPQOVOSFZYGON-AWEZNQCLSA-N 1 3 248.370 1.908 20 0 BDADHO COc1ccc(CC[N@H+]2CCC[C@@H](CN)C2)cc1 ZINC000011888444 175090137 /nfs/dbraw/zinc/09/01/37/175090137.db2.gz LEPQOVOSFZYGON-AWEZNQCLSA-N 1 3 248.370 1.908 20 0 BDADHO COc1ccc(CC[C@@H](C)[NH2+]CCCN)cc1 ZINC000037713693 175092463 /nfs/dbraw/zinc/09/24/63/175092463.db2.gz OZLXKRDWZCJWSG-GFCCVEGCSA-N 1 3 236.359 1.955 20 0 BDADHO COc1cccc(C[NH2+]C[C@H](C)CN(C)C)c1 ZINC000291703344 175264456 /nfs/dbraw/zinc/26/44/56/175264456.db2.gz KLKSGAZPSPQORC-LBPRGKRZSA-N 1 3 236.359 1.983 20 0 BDADHO C[C@@H]1CCC[C@H](CN(C)C[C@H](O)C[NH3+])C1 ZINC000336765999 176137090 /nfs/dbraw/zinc/13/70/90/176137090.db2.gz RRTVQAPNOBEAIV-GRYCIOLGSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@@H]1N ZINC000224619875 176297995 /nfs/dbraw/zinc/29/79/95/176297995.db2.gz TWBHURMPEJXOKN-VWYCJHECSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@@H]1N ZINC000224619875 176297997 /nfs/dbraw/zinc/29/79/97/176297997.db2.gz TWBHURMPEJXOKN-VWYCJHECSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000224619875 176297999 /nfs/dbraw/zinc/29/79/99/176297999.db2.gz TWBHURMPEJXOKN-VWYCJHECSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1COCCN1CCC1CC[NH2+]CC1 ZINC000035776437 176335765 /nfs/dbraw/zinc/33/57/65/176335765.db2.gz RBOJJZCGKITCGY-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCNC2)C1 ZINC000019516121 176361652 /nfs/dbraw/zinc/36/16/52/176361652.db2.gz BZNDIWKLEZLXFA-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CCO1 ZINC000309809392 176375060 /nfs/dbraw/zinc/37/50/60/176375060.db2.gz TVRMEVCSVAESAC-YPMHNXCESA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222959990 176730463 /nfs/dbraw/zinc/73/04/63/176730463.db2.gz FICWTUPZLYAVQX-IJLUTSLNSA-N 1 3 222.336 1.131 20 0 BDADHO C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918604 177256988 /nfs/dbraw/zinc/25/69/88/177256988.db2.gz GZZXPBBUQKJQTN-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251663817 177258528 /nfs/dbraw/zinc/25/85/28/177258528.db2.gz GZZXPBBUQKJQTN-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000122308005 177323355 /nfs/dbraw/zinc/32/33/55/177323355.db2.gz ZROPDWXAVBUZMA-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CCOCC1 ZINC000122308005 177323356 /nfs/dbraw/zinc/32/33/56/177323356.db2.gz ZROPDWXAVBUZMA-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H](NC1CCN(C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400400146 225163573 /nfs/dbraw/zinc/16/35/73/225163573.db2.gz PMUWQTQYVMTWLN-RISCZKNCSA-N 1 3 237.391 1.343 20 0 BDADHO COCC(C)(C)CNC[C@H]1CCCC[NH2+]1 ZINC000309089729 487648721 /nfs/dbraw/zinc/64/87/21/487648721.db2.gz CYLGOXDANJDTGM-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO COCC(C)(C)CNC[C@@H]1CCCC[NH2+]1 ZINC000309089730 487648799 /nfs/dbraw/zinc/64/87/99/487648799.db2.gz CYLGOXDANJDTGM-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401918396 226363084 /nfs/dbraw/zinc/36/30/84/226363084.db2.gz CFDDFMMIXBRNHD-AVGNSLFASA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000401949921 226363787 /nfs/dbraw/zinc/36/37/87/226363787.db2.gz YWAVXOOYEDKBQV-MELADBBJSA-N 1 3 240.391 1.910 20 0 BDADHO CN(C)Cc1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000070202138 487662801 /nfs/dbraw/zinc/66/28/01/487662801.db2.gz JSDQMDDLLQWMOO-UHFFFAOYSA-N 1 3 249.358 1.816 20 0 BDADHO CC(C)[C@H]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000383756119 487670723 /nfs/dbraw/zinc/67/07/23/487670723.db2.gz KPTIDDAUEIVKHL-KBPBESRZSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000383756119 487670727 /nfs/dbraw/zinc/67/07/27/487670727.db2.gz KPTIDDAUEIVKHL-KBPBESRZSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C)[C@H]1C ZINC000383805619 487675141 /nfs/dbraw/zinc/67/51/41/487675141.db2.gz UJKFXEMXYMNACD-MGPQQGTHSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](C)[C@H]1C ZINC000383805619 487675143 /nfs/dbraw/zinc/67/51/43/487675143.db2.gz UJKFXEMXYMNACD-MGPQQGTHSA-N 1 3 242.407 1.808 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000308900426 487693034 /nfs/dbraw/zinc/69/30/34/487693034.db2.gz DVSSEIQTJWBEFJ-USZNOCQGSA-N 1 3 228.405 1.988 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CC1(C)C ZINC000397594457 262926923 /nfs/dbraw/zinc/92/69/23/262926923.db2.gz COASDONWYIQMNK-NWDGAFQWSA-N 1 3 240.391 1.467 20 0 BDADHO Cc1cncc(CN2CCC(C[NH3+])CC2)c1 ZINC000228781145 487724381 /nfs/dbraw/zinc/72/43/81/487724381.db2.gz LPVWXCWDLKINGR-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO C[NH+](C)CC1CCN(Cc2cn[nH]c2)CC1 ZINC000678139294 487724912 /nfs/dbraw/zinc/72/49/12/487724912.db2.gz PHKBCTWSVUDSPA-UHFFFAOYSA-N 1 3 222.336 1.183 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)CNC(C)C)c1 ZINC000659305075 487741257 /nfs/dbraw/zinc/74/12/57/487741257.db2.gz YITRGUFQDUHAKQ-UHFFFAOYSA-N 1 3 235.331 1.343 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CC)C2)CCO1 ZINC000251676392 487788893 /nfs/dbraw/zinc/78/88/93/487788893.db2.gz OZQWIKWLHYHXBE-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CC)C2)CCO1 ZINC000251676398 487788659 /nfs/dbraw/zinc/78/86/59/487788659.db2.gz OZQWIKWLHYHXBE-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+]C[C@H]1CCN(CCOCc2ccccc2)C1 ZINC000307314688 487788800 /nfs/dbraw/zinc/78/88/00/487788800.db2.gz VPVGSMLFYJRMQJ-CQSZACIVSA-N 1 3 234.343 1.484 20 0 BDADHO Cn1cccc1[C@@H]1CCCN1CCC[NH3+] ZINC000414685453 487817954 /nfs/dbraw/zinc/81/79/54/487817954.db2.gz ZFOCYALGLSHCHQ-LBPRGKRZSA-N 1 3 207.321 1.511 20 0 BDADHO CC(C)[C@@H](C[NH2+]CCCN)c1cccnc1 ZINC000415078320 487836229 /nfs/dbraw/zinc/83/62/29/487836229.db2.gz GLPKWLNVJCBRLD-CYBMUJFWSA-N 1 3 221.348 1.760 20 0 BDADHO CC(C)[C@@H](CNCCC[NH3+])c1cccnc1 ZINC000415078320 487836236 /nfs/dbraw/zinc/83/62/36/487836236.db2.gz GLPKWLNVJCBRLD-CYBMUJFWSA-N 1 3 221.348 1.760 20 0 BDADHO NCCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000415090995 487837192 /nfs/dbraw/zinc/83/71/92/487837192.db2.gz YLVCLMUEJHWPDC-ZDUSSCGKSA-N 1 3 233.359 1.451 20 0 BDADHO Cc1cccc(CCN[C@H]2CCC[NH2+]CC2)n1 ZINC000415105153 487837853 /nfs/dbraw/zinc/83/78/53/487837853.db2.gz MDQGTAGFWNDZMM-ZDUSSCGKSA-N 1 3 233.359 1.664 20 0 BDADHO CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000676362190 487841893 /nfs/dbraw/zinc/84/18/93/487841893.db2.gz VAGAJXZKTFJSTF-UHFFFAOYSA-N 1 3 205.305 1.614 20 0 BDADHO CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000676362190 487841902 /nfs/dbraw/zinc/84/19/02/487841902.db2.gz VAGAJXZKTFJSTF-UHFFFAOYSA-N 1 3 205.305 1.614 20 0 BDADHO COC1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000666770372 487876966 /nfs/dbraw/zinc/87/69/66/487876966.db2.gz WSHYDPLSUUXKCT-OTTFEQOBSA-N 1 3 226.364 1.676 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCOc3ccccc32)C1 ZINC000229191349 487888778 /nfs/dbraw/zinc/88/87/78/487888778.db2.gz MDVFFIBNXHSSDB-STQMWFEESA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000229191349 487888782 /nfs/dbraw/zinc/88/87/82/487888782.db2.gz MDVFFIBNXHSSDB-STQMWFEESA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000229191349 487888785 /nfs/dbraw/zinc/88/87/85/487888785.db2.gz MDVFFIBNXHSSDB-STQMWFEESA-N 1 3 246.354 1.833 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCCNCC1 ZINC000666857662 487891895 /nfs/dbraw/zinc/89/18/95/487891895.db2.gz DIWULLMDQAJWAE-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](NC[C@@H]1CCOc2ccccc21)[C@H](C)[NH3+] ZINC000666930224 487907578 /nfs/dbraw/zinc/90/75/78/487907578.db2.gz ANKQAKYHGFSFDO-TUAOUCFPSA-N 1 3 234.343 1.878 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000229367080 487910745 /nfs/dbraw/zinc/91/07/45/487910745.db2.gz WZTRCIHZRCNMBQ-OLZOCXBDSA-N 1 3 238.375 1.759 20 0 BDADHO CC(C)N1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000666946506 487911220 /nfs/dbraw/zinc/91/12/20/487911220.db2.gz GCJJXMIMCUHSAM-AAEUAGOBSA-N 1 3 243.370 1.149 20 0 BDADHO C[C@@H]1CCCCN1CCNC(=O)CCCC[NH3+] ZINC000569690366 323037161 /nfs/dbraw/zinc/03/71/61/323037161.db2.gz RSOAOHRRMFCSGH-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC000569708977 323038039 /nfs/dbraw/zinc/03/80/39/323038039.db2.gz WZJKCDCLEVFDKS-NEPJUHHUSA-N 1 3 244.354 1.612 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCC1(O)Cc2ccccc2C1 ZINC000569957565 323045728 /nfs/dbraw/zinc/04/57/28/323045728.db2.gz KENNNDYZXWUTMO-RYUDHWBXSA-N 1 3 248.370 1.232 20 0 BDADHO Cc1noc(CCCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000570528780 323062436 /nfs/dbraw/zinc/06/24/36/323062436.db2.gz DLYMWFVVKFKEBR-GHMZBOCLSA-N 1 3 238.335 1.170 20 0 BDADHO Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)n1 ZINC000570528780 323062437 /nfs/dbraw/zinc/06/24/37/323062437.db2.gz DLYMWFVVKFKEBR-GHMZBOCLSA-N 1 3 238.335 1.170 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000570638201 323065742 /nfs/dbraw/zinc/06/57/42/323065742.db2.gz NZNNEFSTVDZNMQ-RVMXOQNASA-N 1 3 228.380 1.371 20 0 BDADHO CCOC(=O)CCCCN1CCC[C@H](C[NH3+])C1 ZINC000567735509 323079643 /nfs/dbraw/zinc/07/96/43/323079643.db2.gz LNNRDGQNBMQMJC-GFCCVEGCSA-N 1 3 242.363 1.391 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563427346 323126147 /nfs/dbraw/zinc/12/61/47/323126147.db2.gz YZGBQJOUZSUZGR-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cn1 ZINC000563427346 323126148 /nfs/dbraw/zinc/12/61/48/323126148.db2.gz YZGBQJOUZSUZGR-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3cncn3c2)C1 ZINC000571225898 323138626 /nfs/dbraw/zinc/13/86/26/323138626.db2.gz DTNCPASGLWPPQV-QWHCGFSZSA-N 1 3 244.342 1.694 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000571418747 323144400 /nfs/dbraw/zinc/14/44/00/323144400.db2.gz YYRSEDXDRJNBTK-VXGBXAGGSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000535034701 323164165 /nfs/dbraw/zinc/16/41/65/323164165.db2.gz DIANNPSLRQAQJB-CQSZACIVSA-N 1 3 248.374 1.362 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000535034701 323164166 /nfs/dbraw/zinc/16/41/66/323164166.db2.gz DIANNPSLRQAQJB-CQSZACIVSA-N 1 3 248.374 1.362 20 0 BDADHO Cc1nc(CCN[C@@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000563735404 323176659 /nfs/dbraw/zinc/17/66/59/323176659.db2.gz ZOICIYVHKOPNGB-NWDGAFQWSA-N 1 3 237.347 1.693 20 0 BDADHO C[C@H]([NH3+])C1CCN(CC2(F)CC2)CC1 ZINC000307318024 323177205 /nfs/dbraw/zinc/17/72/05/323177205.db2.gz LPODELWUCXFIOL-VIFPVBQESA-N 1 3 200.301 1.548 20 0 BDADHO CC[NH+]1CCC(CNCc2cnc(C)nc2)CC1 ZINC000563867598 323181727 /nfs/dbraw/zinc/18/17/27/323181727.db2.gz MTLUHBFPBVYEES-UHFFFAOYSA-N 1 3 248.374 1.607 20 0 BDADHO C[C@H](C[NH3+])NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417804469 323185006 /nfs/dbraw/zinc/18/50/06/323185006.db2.gz GLPMCNJDCZFCEQ-PWSUYJOCSA-N 1 3 249.358 1.176 20 0 BDADHO Cc1nccn1CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395120756 323187942 /nfs/dbraw/zinc/18/79/42/323187942.db2.gz GKLNYSQGJCNDTR-DGCLKSJQSA-N 1 3 236.363 1.312 20 0 BDADHO Cc1nccn1CC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000395120756 323187943 /nfs/dbraw/zinc/18/79/43/323187943.db2.gz GKLNYSQGJCNDTR-DGCLKSJQSA-N 1 3 236.363 1.312 20 0 BDADHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1CCOCC1 ZINC000521736682 324191936 /nfs/dbraw/zinc/19/19/36/324191936.db2.gz UVWXTPMYMILRFU-TZMCWYRMSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000130727173 325082391 /nfs/dbraw/zinc/08/23/91/325082391.db2.gz CZRYIQJPTUKPFP-RDBSUJKOSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@@H](CN(C)C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132221381 325205261 /nfs/dbraw/zinc/20/52/61/325205261.db2.gz CAGDPJHWDCHYHU-LEWSCRJBSA-N 1 3 233.359 1.671 20 0 BDADHO C[C@@H]1SCCN(C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000158590806 487967811 /nfs/dbraw/zinc/96/78/11/487967811.db2.gz CCSVXVCDJIGQOH-GARJFASQSA-N 1 3 214.378 1.422 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000566625288 326069601 /nfs/dbraw/zinc/06/96/01/326069601.db2.gz LAJNUZGDWOOWKM-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000566625288 326069604 /nfs/dbraw/zinc/06/96/04/326069604.db2.gz LAJNUZGDWOOWKM-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCCC2(CCCC2)C1 ZINC000566625288 326069606 /nfs/dbraw/zinc/06/96/06/326069606.db2.gz LAJNUZGDWOOWKM-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@@]1(CN2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]C1 ZINC000566973401 326098476 /nfs/dbraw/zinc/09/84/76/326098476.db2.gz KLDCXWUEBOLYLG-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000567579847 326221732 /nfs/dbraw/zinc/22/17/32/326221732.db2.gz MDKYKXWQTYPILZ-JHJVBQTASA-N 1 3 238.375 1.533 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000567579847 326221734 /nfs/dbraw/zinc/22/17/34/326221734.db2.gz MDKYKXWQTYPILZ-JHJVBQTASA-N 1 3 238.375 1.533 20 0 BDADHO CCn1ccnc1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568845350 326379149 /nfs/dbraw/zinc/37/91/49/326379149.db2.gz ZLACFFWDXWLDDV-NEPJUHHUSA-N 1 3 236.363 1.510 20 0 BDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCF ZINC000569093431 326389241 /nfs/dbraw/zinc/38/92/41/326389241.db2.gz VIPYLJCLGTWEBZ-YPMHNXCESA-N 1 3 224.323 1.894 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000569106205 326390489 /nfs/dbraw/zinc/39/04/89/326390489.db2.gz UBGHLSGHZNTPOS-DGCLKSJQSA-N 1 3 225.380 1.058 20 0 BDADHO CC[NH+]1CCC(CN[C@H](C)c2ncc[nH]2)CC1 ZINC000572906930 326418647 /nfs/dbraw/zinc/41/86/47/326418647.db2.gz VQVQKXBLDBGRSO-LLVKDONJSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOCC1CCC1 ZINC000573197708 326434584 /nfs/dbraw/zinc/43/45/84/326434584.db2.gz VVOMZCCBXFRIMZ-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO CCCN1CC[C@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000400468348 487980439 /nfs/dbraw/zinc/98/04/39/487980439.db2.gz UKMZCXYTGMCUMS-AVGNSLFASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H](CNc1nccc2[nH]ccc21)[NH+](C)C ZINC000663438389 488012229 /nfs/dbraw/zinc/01/22/29/488012229.db2.gz GLTZEKFXCHIEJA-VIFPVBQESA-N 1 3 218.304 1.925 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)CO ZINC000135082356 488012720 /nfs/dbraw/zinc/01/27/20/488012720.db2.gz GLLLMQMEFQCJKF-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)(CO)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000135080695 488013364 /nfs/dbraw/zinc/01/33/64/488013364.db2.gz QPEUSBGGYGHMHJ-FRRDWIJNSA-N 1 3 240.391 1.515 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000084215651 488037913 /nfs/dbraw/zinc/03/79/13/488037913.db2.gz QHZLLDGSUBSZRG-WOPDTQHZSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H](C(=O)N(C)CCC[NH3+])[C@@H](N)c1ccccc1 ZINC000669511871 488117238 /nfs/dbraw/zinc/11/72/38/488117238.db2.gz KRGKEFADZWLLGU-WCQYABFASA-N 1 3 249.358 1.130 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667823482 488130149 /nfs/dbraw/zinc/13/01/49/488130149.db2.gz SIBJOFYVQNVTPB-RAIGVLPGSA-N 1 3 226.364 1.484 20 0 BDADHO COc1ccc(CC[NH2+]CCCN)cc1F ZINC000258857435 488140795 /nfs/dbraw/zinc/14/07/95/488140795.db2.gz YFRILGDUUXGYRV-UHFFFAOYSA-N 1 3 226.295 1.315 20 0 BDADHO COc1ccc(CCNCCC[NH3+])cc1F ZINC000258857435 488140798 /nfs/dbraw/zinc/14/07/98/488140798.db2.gz YFRILGDUUXGYRV-UHFFFAOYSA-N 1 3 226.295 1.315 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](C2CC2)C1 ZINC000399987810 487499525 /nfs/dbraw/zinc/49/95/25/487499525.db2.gz CYNUDQSWNUAYJE-UONOGXRCSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](C2CC2)C1 ZINC000399987810 487499529 /nfs/dbraw/zinc/49/95/29/487499529.db2.gz CYNUDQSWNUAYJE-UONOGXRCSA-N 1 3 240.391 1.419 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@H]2CCOc3ccccc32)C1 ZINC000162065550 487534758 /nfs/dbraw/zinc/53/47/58/487534758.db2.gz MDVFFIBNXHSSDB-CHWSQXEVSA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000162065550 487534764 /nfs/dbraw/zinc/53/47/64/487534764.db2.gz MDVFFIBNXHSSDB-CHWSQXEVSA-N 1 3 246.354 1.833 20 0 BDADHO NC[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000162065550 487534771 /nfs/dbraw/zinc/53/47/71/487534771.db2.gz MDVFFIBNXHSSDB-CHWSQXEVSA-N 1 3 246.354 1.833 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@H](CO)Cc2ccccc2)C1 ZINC000093216080 488140029 /nfs/dbraw/zinc/14/00/29/488140029.db2.gz FSDRREZNGRPVKW-ZNMIVQPWSA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CCN1C ZINC000397780389 488149370 /nfs/dbraw/zinc/14/93/70/488149370.db2.gz ORKLILSFYLHUBB-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@@H]1COC2(CCC2)C1 ZINC000657859211 488152373 /nfs/dbraw/zinc/15/23/73/488152373.db2.gz RBVOKQATTJDJPO-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(CCC(C)C)C1CC1 ZINC000380106665 488173416 /nfs/dbraw/zinc/17/34/16/488173416.db2.gz YRCTXYWNIAPZLZ-AWEZNQCLSA-N 1 3 242.407 1.810 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(CCC(C)C)C1CC1 ZINC000380106665 488173422 /nfs/dbraw/zinc/17/34/22/488173422.db2.gz YRCTXYWNIAPZLZ-AWEZNQCLSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)CC[C@H]1C ZINC000380145001 488175301 /nfs/dbraw/zinc/17/53/01/488175301.db2.gz HDYLLEYHSVZEBB-MCIONIFRSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)CC[C@H]1C ZINC000380145001 488175303 /nfs/dbraw/zinc/17/53/03/488175303.db2.gz HDYLLEYHSVZEBB-MCIONIFRSA-N 1 3 242.407 1.808 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC12CCOCC2 ZINC000683525906 488186912 /nfs/dbraw/zinc/18/69/12/488186912.db2.gz LHINQKXZTMFTSS-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC12CCOCC2 ZINC000683525906 488186915 /nfs/dbraw/zinc/18/69/15/488186915.db2.gz LHINQKXZTMFTSS-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000398610764 488220609 /nfs/dbraw/zinc/22/06/09/488220609.db2.gz AVLOGCHNSZCMSH-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO C(C[NH2+][C@H]1CCCOC1)CN1CCCC1 ZINC000069606476 490174678 /nfs/dbraw/zinc/17/46/78/490174678.db2.gz HDEQUJLBSKUEML-LBPRGKRZSA-N 1 3 212.337 1.241 20 0 BDADHO C(CN[C@@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070011701 490196590 /nfs/dbraw/zinc/19/65/90/490196590.db2.gz AOPSUTFMPSWTPZ-CYBMUJFWSA-N 1 3 226.364 1.631 20 0 BDADHO C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000228554423 490291021 /nfs/dbraw/zinc/29/10/21/490291021.db2.gz RUTHAICUCNWNGL-MNOVXSKESA-N 1 3 214.378 1.471 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402613 490414431 /nfs/dbraw/zinc/41/44/31/490414431.db2.gz YMYTZHFKQOGAMO-RYUDHWBXSA-N 1 3 222.336 1.133 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCc2ccncc2)C1 ZINC000086402369 491123868 /nfs/dbraw/zinc/12/38/68/491123868.db2.gz VLRXSHVMRFIHKG-NEPJUHHUSA-N 1 3 205.305 1.441 20 0 BDADHO C[C@H](NCC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000124803030 491128591 /nfs/dbraw/zinc/12/85/91/491128591.db2.gz IKDFTZFNJXQBIR-JTQLQIEISA-N 1 3 222.336 1.402 20 0 BDADHO COCCC[N@@H+]1CCC[C@@]12CCCNC2 ZINC000757131188 582505971 /nfs/dbraw/zinc/50/59/71/582505971.db2.gz PPCMDNCEKNDWBP-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO COCCC[N@H+]1CCC[C@@]12CCCNC2 ZINC000757131188 582505972 /nfs/dbraw/zinc/50/59/72/582505972.db2.gz PPCMDNCEKNDWBP-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)CS1 ZINC000306767018 533967536 /nfs/dbraw/zinc/96/75/36/533967536.db2.gz CBAOOTYRTNSYNR-RCWTZXSCSA-N 1 3 214.378 1.597 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000848986601 582817875 /nfs/dbraw/zinc/81/78/75/582817875.db2.gz KUUHBHXVFSIBQX-QWRGUYRKSA-N 1 3 226.368 1.383 20 0 BDADHO C(C[NH2+]CC[C@H]1CCOC1)CN1CCCCC1 ZINC000401407252 527483627 /nfs/dbraw/zinc/48/36/27/527483627.db2.gz OSAFPABOCJGLME-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@@H]3CCCNC3)C[C@@H]21 ZINC000261544563 535041563 /nfs/dbraw/zinc/04/15/63/535041563.db2.gz JAYABBOJOOEABU-UTUOFQBUSA-N 1 3 208.349 1.574 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@@H]3CCCNC3)C[C@@H]21 ZINC000261544563 535041566 /nfs/dbraw/zinc/04/15/66/535041566.db2.gz JAYABBOJOOEABU-UTUOFQBUSA-N 1 3 208.349 1.574 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000300388074 535505900 /nfs/dbraw/zinc/50/59/00/535505900.db2.gz NQRLZTZMHOHKKL-OUAUKWLOSA-N 1 3 214.353 1.374 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)COC)C1 ZINC000252710372 535525517 /nfs/dbraw/zinc/52/55/17/535525517.db2.gz GLDMTLVYEQXYEV-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)COC)C1 ZINC000252710372 535525526 /nfs/dbraw/zinc/52/55/26/535525526.db2.gz GLDMTLVYEQXYEV-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H]([NH2+]CCOCCN(C)C)C(C)C ZINC000219311912 535903387 /nfs/dbraw/zinc/90/33/87/535903387.db2.gz UKZZQCWPQXVBBM-LBPRGKRZSA-N 1 3 216.369 1.589 20 0 BDADHO CN(CCC[NH3+])CCCOc1ccc(F)cc1 ZINC000130892785 536342716 /nfs/dbraw/zinc/34/27/16/536342716.db2.gz LYBPHTYXRFXJNI-UHFFFAOYSA-N 1 3 240.322 1.875 20 0 BDADHO COCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250443235 536590495 /nfs/dbraw/zinc/59/04/95/536590495.db2.gz BNBFGNSLVOSRKB-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO COc1ccccc1CCN[C@@H]1CCC[NH2+]CC1 ZINC000230285231 537039973 /nfs/dbraw/zinc/03/99/73/537039973.db2.gz VOCNHGBFYDXYED-CQSZACIVSA-N 1 3 248.370 1.969 20 0 BDADHO C[C@H](CCO)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853239288 588728134 /nfs/dbraw/zinc/72/81/34/588728134.db2.gz DKIUPTFSVDHRDD-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO CC[C@@H]1C[C@@H](CN[C@@H](C)C[NH2+]C)CCO1 ZINC000853249715 588729191 /nfs/dbraw/zinc/72/91/91/588729191.db2.gz UTDKWYFZFLUKRE-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)CNC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000112800786 588817391 /nfs/dbraw/zinc/81/73/91/588817391.db2.gz FTMJLZAMOFHSKI-LLVKDONJSA-N 1 3 226.368 1.241 20 0 BDADHO CC[C@@H]1COCCN1CC1CC[NH+](C)CC1 ZINC000891716122 582713083 /nfs/dbraw/zinc/71/30/83/582713083.db2.gz LXYQTWQTQOBNCQ-CYBMUJFWSA-N 1 3 226.364 1.439 20 0 BDADHO COC1CCC(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000892251547 582813160 /nfs/dbraw/zinc/81/31/60/582813160.db2.gz IWSKPYVHCCKZMU-QPPOZKHWSA-N 1 3 238.375 1.343 20 0 BDADHO CN(CC[NH+](C)C)c1cc(N)ncc1Cl ZINC000892778426 582981254 /nfs/dbraw/zinc/98/12/54/582981254.db2.gz XIGQWIGGDVOHPC-UHFFFAOYSA-N 1 3 228.727 1.315 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccncc2CO)C1 ZINC000892824728 582989651 /nfs/dbraw/zinc/98/96/51/582989651.db2.gz UEDWGRUMYBICBS-OLZOCXBDSA-N 1 3 249.358 1.281 20 0 BDADHO CC(=O)N[C@H]1CCN(CCCCCCC[NH3+])C1 ZINC000852755581 583017185 /nfs/dbraw/zinc/01/71/85/583017185.db2.gz UNKMNBTXASQCNZ-ZDUSSCGKSA-N 1 3 241.379 1.106 20 0 BDADHO Cn1cc(CNCCCC[NH+](C)C)c(Cl)n1 ZINC000856767900 588876419 /nfs/dbraw/zinc/87/64/19/588876419.db2.gz HABJQMHZAIZXDT-UHFFFAOYSA-N 1 3 244.770 1.505 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000841848809 583363258 /nfs/dbraw/zinc/36/32/58/583363258.db2.gz FCJFGEWTUWAUCN-CQSZACIVSA-N 1 3 249.358 1.249 20 0 BDADHO C[C@H](N)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000857252773 588901359 /nfs/dbraw/zinc/90/13/59/588901359.db2.gz CMQBMENVEAAQPK-QWRGUYRKSA-N 1 3 212.337 1.273 20 0 BDADHO c1nc(CNCC2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000894575363 583487065 /nfs/dbraw/zinc/48/70/65/583487065.db2.gz FGDZHQGXZUOFHG-UHFFFAOYSA-N 1 3 234.347 1.374 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(c3ccncc3CO)CC[C@@H]21 ZINC000895022068 583569432 /nfs/dbraw/zinc/56/94/32/583569432.db2.gz JYDGGGJQCVRBSZ-YPMHNXCESA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(c3ccncc3CO)CC[C@@H]21 ZINC000895022068 583569434 /nfs/dbraw/zinc/56/94/34/583569434.db2.gz JYDGGGJQCVRBSZ-YPMHNXCESA-N 1 3 247.342 1.104 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@H]2CCCc3c[nH]nc32)C1 ZINC000857872167 588917671 /nfs/dbraw/zinc/91/76/71/588917671.db2.gz HVACCYUHAFIQQL-UHTWSYAYSA-N 1 3 248.374 1.717 20 0 BDADHO C[C@@H](CC[NH2+]CCC[C@H]1CCO1)N(C)C ZINC000895292654 583638976 /nfs/dbraw/zinc/63/89/76/583638976.db2.gz SYNONSFIIWPKAW-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+](C)C2CCNCC2)O1 ZINC000232018111 583849173 /nfs/dbraw/zinc/84/91/73/583849173.db2.gz AJZYNOCKPXLSPA-PWSUYJOCSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCNCC2)O1 ZINC000232018111 583849176 /nfs/dbraw/zinc/84/91/76/583849176.db2.gz AJZYNOCKPXLSPA-PWSUYJOCSA-N 1 3 212.337 1.238 20 0 BDADHO CN(C)C1CC([NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000858185763 588937681 /nfs/dbraw/zinc/93/76/81/588937681.db2.gz YDABQVKHUMNRPK-PNESKVBLSA-N 1 3 239.407 1.541 20 0 BDADHO OCc1cc(NCCC[NH+]2CCCCC2)ccn1 ZINC000858326264 588945850 /nfs/dbraw/zinc/94/58/50/588945850.db2.gz LGXXUTJMSRYNLP-UHFFFAOYSA-N 1 3 249.358 1.862 20 0 BDADHO OCc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000858355832 588948380 /nfs/dbraw/zinc/94/83/80/588948380.db2.gz WNGXHJPZPGOEGY-OCCSQVGLSA-N 1 3 247.342 1.613 20 0 BDADHO OCc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000858355832 588948382 /nfs/dbraw/zinc/94/83/82/588948382.db2.gz WNGXHJPZPGOEGY-OCCSQVGLSA-N 1 3 247.342 1.613 20 0 BDADHO C[C@H]1C[C@H]1NC(=[NH2+])NCCN1CCCCCC1 ZINC000864453645 584005480 /nfs/dbraw/zinc/00/54/80/584005480.db2.gz YHUWYSPFLGHKCW-NWDGAFQWSA-N 1 3 238.379 1.385 20 0 BDADHO C[C@H](NC(=[NH2+])NCCNC(C)(C)C)C1CC1 ZINC000899266485 584190206 /nfs/dbraw/zinc/19/02/06/584190206.db2.gz CYQDQBZNEBFTAK-VIFPVBQESA-N 1 3 226.368 1.287 20 0 BDADHO CN1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321355 584552768 /nfs/dbraw/zinc/55/27/68/584552768.db2.gz UVNQKOCWKJPEDI-RYUDHWBXSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](CCCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902344787 584558317 /nfs/dbraw/zinc/55/83/17/584558317.db2.gz GCLWNRZFAHGCSZ-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](CCCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902344790 584558402 /nfs/dbraw/zinc/55/84/02/584558402.db2.gz GCLWNRZFAHGCSZ-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000902377027 584568756 /nfs/dbraw/zinc/56/87/56/584568756.db2.gz PDVYUPIFVUCJFD-GFCCVEGCSA-N 1 3 240.391 1.517 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC2(CCO)CC2)C1 ZINC000902377027 584568758 /nfs/dbraw/zinc/56/87/58/584568758.db2.gz PDVYUPIFVUCJFD-GFCCVEGCSA-N 1 3 240.391 1.517 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902358092 584570871 /nfs/dbraw/zinc/57/08/71/584570871.db2.gz AOOXZQRYDKHLCC-GFCCVEGCSA-N 1 3 242.407 1.905 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358092 584570872 /nfs/dbraw/zinc/57/08/72/584570872.db2.gz AOOXZQRYDKHLCC-GFCCVEGCSA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)[C@@H](CO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902360698 584571648 /nfs/dbraw/zinc/57/16/48/584571648.db2.gz MKEVMUNWSQBEOX-VXGBXAGGSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@@H](CO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360698 584571649 /nfs/dbraw/zinc/57/16/49/584571649.db2.gz MKEVMUNWSQBEOX-VXGBXAGGSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428003 584594203 /nfs/dbraw/zinc/59/42/03/584594203.db2.gz AEAZCAISSFEXGB-VOAKCMCISA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCC[C@@H]1CCCC[C@@H]1O ZINC000902428003 584594204 /nfs/dbraw/zinc/59/42/04/584594204.db2.gz AEAZCAISSFEXGB-VOAKCMCISA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000902432721 584595353 /nfs/dbraw/zinc/59/53/53/584595353.db2.gz WVEJIXPCZSFCJX-XRRVDJEJSA-N 1 3 226.364 1.659 20 0 BDADHO Cc1ccncc1[C@H](C)[NH2+]CC1(N)CC1 ZINC000902414238 584599631 /nfs/dbraw/zinc/59/96/31/584599631.db2.gz UDWHXPPKNDSOJJ-JTQLQIEISA-N 1 3 205.305 1.532 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NCC1([NH3+])CC1 ZINC000902414044 584599777 /nfs/dbraw/zinc/59/97/77/584599777.db2.gz RATFZZAFCJJPPS-WDEREUQCSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902448563 584605843 /nfs/dbraw/zinc/60/58/43/584605843.db2.gz GNNAPCYBSNTHML-WXHSDQCUSA-N 1 3 237.391 1.057 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@@H]1CCOC1 ZINC000902450133 584606335 /nfs/dbraw/zinc/60/63/35/584606335.db2.gz RBTWNPYTVJQKSX-GRYCIOLGSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCC(C)(C)C1 ZINC000902456382 584610186 /nfs/dbraw/zinc/61/01/86/584610186.db2.gz OMMUHHKQWYTZDT-OLZOCXBDSA-N 1 3 239.407 1.306 20 0 BDADHO C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468786 584615274 /nfs/dbraw/zinc/61/52/74/584615274.db2.gz VNFWWUHNTLXKQT-QNWJLWSRSA-N 1 3 206.333 1.658 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469061 584615325 /nfs/dbraw/zinc/61/53/25/584615325.db2.gz ORHZDBKDPSJOPQ-KSSYENDESA-N 1 3 224.348 1.427 20 0 BDADHO CC1(C)C[C@@H]([NH2+]CC[C@H](O)C2CC2)C[C@@H](N)C1 ZINC000902506639 584622041 /nfs/dbraw/zinc/62/20/41/584622041.db2.gz ZCZYPDSYOGAYGE-AGIUHOORSA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)C[C@@H](NCC[C@H](O)C2CC2)C[C@@H]([NH3+])C1 ZINC000902506639 584622043 /nfs/dbraw/zinc/62/20/43/584622043.db2.gz ZCZYPDSYOGAYGE-AGIUHOORSA-N 1 3 240.391 1.643 20 0 BDADHO CCn1cc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902489898 584627728 /nfs/dbraw/zinc/62/77/28/584627728.db2.gz PZEHKUMBNFYSBL-NHCYSSNCSA-N 1 3 222.336 1.291 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522472 584631922 /nfs/dbraw/zinc/63/19/22/584631922.db2.gz XOZJKJCYQPGZNS-AYRXBEOTSA-N 1 3 246.354 1.504 20 0 BDADHO C[C@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903098914 584726873 /nfs/dbraw/zinc/72/68/73/584726873.db2.gz VIBAQUSRMGDMQT-CRMUJIHISA-N 1 3 238.375 1.505 20 0 BDADHO C[C@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903098914 584726874 /nfs/dbraw/zinc/72/68/74/584726874.db2.gz VIBAQUSRMGDMQT-CRMUJIHISA-N 1 3 238.375 1.505 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCN2C)[C@H](C)C1 ZINC000903321604 584747101 /nfs/dbraw/zinc/74/71/01/584747101.db2.gz AXOQWOHIYNEDNS-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCN2C)[C@H](C)C1 ZINC000903321604 584747102 /nfs/dbraw/zinc/74/71/02/584747102.db2.gz AXOQWOHIYNEDNS-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO CCN1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000903454395 584773667 /nfs/dbraw/zinc/77/36/67/584773667.db2.gz BIMBVPSJVNRTKE-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO CCOCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903470153 584774574 /nfs/dbraw/zinc/77/45/74/584774574.db2.gz GUBFGCPWTBBVGE-NSHDSACASA-N 1 3 212.337 1.287 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000903471294 584775250 /nfs/dbraw/zinc/77/52/50/584775250.db2.gz IGGVJNAPVMNBMO-GRYCIOLGSA-N 1 3 224.348 1.286 20 0 BDADHO C(C[C@H]1CCCO1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903471765 584775646 /nfs/dbraw/zinc/77/56/46/584775646.db2.gz MAUYZZGQBYSDMR-VXGBXAGGSA-N 1 3 224.348 1.430 20 0 BDADHO NCc1cccc2c1N(C[C@H]1CCC[NH2+]1)CCC2 ZINC000903474016 584776851 /nfs/dbraw/zinc/77/68/51/584776851.db2.gz FHDMAMZCWKAAHT-CQSZACIVSA-N 1 3 245.370 1.650 20 0 BDADHO CC(C)c1ccccc1CNC(CN)C[NH3+] ZINC000903750098 584795131 /nfs/dbraw/zinc/79/51/31/584795131.db2.gz URBCFKLUZXICJI-UHFFFAOYSA-N 1 3 221.348 1.186 20 0 BDADHO C[C@@H](O)CN(C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767189 584797803 /nfs/dbraw/zinc/79/78/03/584797803.db2.gz FFNNBRUJRLMCHR-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO FC1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783429 584799994 /nfs/dbraw/zinc/79/99/94/584799994.db2.gz YRUONBREWIOLHL-CHWSQXEVSA-N 1 3 242.338 1.189 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903856196 584808853 /nfs/dbraw/zinc/80/88/53/584808853.db2.gz QIKITQPULRUASU-ZIAGYGMSSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903856196 584808855 /nfs/dbraw/zinc/80/88/55/584808855.db2.gz QIKITQPULRUASU-ZIAGYGMSSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856196 584808857 /nfs/dbraw/zinc/80/88/57/584808857.db2.gz QIKITQPULRUASU-ZIAGYGMSSA-N 1 3 248.374 1.395 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CC[C@@H]1CCCCO1 ZINC000903861989 584813200 /nfs/dbraw/zinc/81/32/00/584813200.db2.gz ZTYZLDYGLQSZJL-MELADBBJSA-N 1 3 238.375 1.759 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CC[C@H]1CCCCO1 ZINC000903861990 584813417 /nfs/dbraw/zinc/81/34/17/584813417.db2.gz ZTYZLDYGLQSZJL-MGPQQGTHSA-N 1 3 238.375 1.759 20 0 BDADHO CC[C@H]1C(=O)NCCCN1CCCCCC[NH3+] ZINC000903883155 584818188 /nfs/dbraw/zinc/81/81/88/584818188.db2.gz UBSLORPFGVOADZ-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO CC[C@@H](C)[NH2+]C[C@H](CN)Cc1cnn(C)c1C ZINC000903925893 584823560 /nfs/dbraw/zinc/82/35/60/584823560.db2.gz ISYADHQOKFTSGL-PWSUYJOCSA-N 1 3 238.379 1.234 20 0 BDADHO [NH3+][C@H](CNCCc1cccs1)CC(F)F ZINC000903925474 584823842 /nfs/dbraw/zinc/82/38/42/584823842.db2.gz NGRYBBQBNCIYAV-QMMMGPOBSA-N 1 3 234.315 1.863 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]([NH3+])CC(F)F)[C@@H](C)O1 ZINC000903935044 584825886 /nfs/dbraw/zinc/82/58/86/584825886.db2.gz LGWAMXBTZZJJEL-BGZDPUMWSA-N 1 3 222.279 1.124 20 0 BDADHO CC(C)(C)[NH2+]CCNCc1cc(N)ccn1 ZINC000903955000 584832073 /nfs/dbraw/zinc/83/20/73/584832073.db2.gz YAGPHZSUANNFOU-UHFFFAOYSA-N 1 3 222.336 1.142 20 0 BDADHO CC(C)[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966744 584834501 /nfs/dbraw/zinc/83/45/01/584834501.db2.gz AWTOWWIGJDEELS-RFGFWPKPSA-N 1 3 240.391 1.635 20 0 BDADHO CCCN(CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904304070 584862123 /nfs/dbraw/zinc/86/21/23/584862123.db2.gz QEEWKBGCSQXOSL-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CCC[N@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904304070 584862124 /nfs/dbraw/zinc/86/21/24/584862124.db2.gz QEEWKBGCSQXOSL-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CCC[N@@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904304070 584862125 /nfs/dbraw/zinc/86/21/25/584862125.db2.gz QEEWKBGCSQXOSL-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904331752 584865968 /nfs/dbraw/zinc/86/59/68/584865968.db2.gz LHPOSULYCINRKK-AVGNSLFASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](O)[C@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904331752 584865969 /nfs/dbraw/zinc/86/59/69/584865969.db2.gz LHPOSULYCINRKK-AVGNSLFASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)[C@@H](C)O1 ZINC000904345770 584868149 /nfs/dbraw/zinc/86/81/49/584868149.db2.gz IZMPNKNBJDHSEG-OOCWMUITSA-N 1 3 212.337 1.221 20 0 BDADHO c1cn(C2CC2)c(CNCC[C@@H]2CC[NH2+]C2)n1 ZINC000904352839 584870020 /nfs/dbraw/zinc/87/00/20/584870020.db2.gz CVDXFVUWTUYLRM-NSHDSACASA-N 1 3 234.347 1.307 20 0 BDADHO [NH3+][C@H]1C[C@@H](CNc2ccc3c(c2)CNCCO3)C1 ZINC000904354918 584870900 /nfs/dbraw/zinc/87/09/00/584870900.db2.gz LLCZYUNXIWTWOV-KLPPZKSPSA-N 1 3 247.342 1.318 20 0 BDADHO [NH3+][C@H]1C[C@@H](CNCc2cc(F)ccc2F)C1 ZINC000904362595 584872036 /nfs/dbraw/zinc/87/20/36/584872036.db2.gz OUNNPDUKZXLYOY-DKTWLAJQSA-N 1 3 226.270 1.792 20 0 BDADHO C[C@@H](NCc1nccn1C1CC1)C1CC[NH2+]CC1 ZINC000904383994 584877503 /nfs/dbraw/zinc/87/75/03/584877503.db2.gz GEQQKFGRKUPOKU-LLVKDONJSA-N 1 3 248.374 1.696 20 0 BDADHO C[C@H]1CN(Cc2cnc(N)s2)CC[C@H]1C[NH3+] ZINC000904410287 584879034 /nfs/dbraw/zinc/87/90/34/584879034.db2.gz OACHMORCFNDFGG-IUCAKERBSA-N 1 3 240.376 1.142 20 0 BDADHO CCn1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000904411087 584879694 /nfs/dbraw/zinc/87/96/94/584879694.db2.gz JYDYSCQYVGDWFK-AAEUAGOBSA-N 1 3 236.363 1.320 20 0 BDADHO Cc1ncsc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000904412405 584879900 /nfs/dbraw/zinc/87/99/00/584879900.db2.gz VHSVDSQSNCJDTO-ONGXEEELSA-N 1 3 239.388 1.868 20 0 BDADHO CCCC[NH+]1CCC(OCCN(C)C)CC1 ZINC000732667600 584939793 /nfs/dbraw/zinc/93/97/93/584939793.db2.gz SZQLGCGSYZYFGD-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838859182 585075530 /nfs/dbraw/zinc/07/55/30/585075530.db2.gz DGCOSJJRXHWWJZ-OCCSQVGLSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838859182 585075531 /nfs/dbraw/zinc/07/55/31/585075531.db2.gz DGCOSJJRXHWWJZ-OCCSQVGLSA-N 1 3 240.391 1.421 20 0 BDADHO CCO[C@H](CC[NH+](C)C)CNCc1ccoc1 ZINC000754048635 585276256 /nfs/dbraw/zinc/27/62/56/585276256.db2.gz SSHFAAPXWWFGEN-CYBMUJFWSA-N 1 3 240.347 1.726 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)CCN1C ZINC000761079506 585406856 /nfs/dbraw/zinc/40/68/56/585406856.db2.gz ZXMDERBLMWPIFG-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)CCN1C ZINC000761079506 585406857 /nfs/dbraw/zinc/40/68/57/585406857.db2.gz ZXMDERBLMWPIFG-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000765140720 585481749 /nfs/dbraw/zinc/48/17/49/585481749.db2.gz ALTSHCTUUOMQKN-CQSZACIVSA-N 1 3 237.391 1.155 20 0 BDADHO CN1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000765140720 585481750 /nfs/dbraw/zinc/48/17/50/585481750.db2.gz ALTSHCTUUOMQKN-CQSZACIVSA-N 1 3 237.391 1.155 20 0 BDADHO CC(C)(C)OC1CC(N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000775937100 585688074 /nfs/dbraw/zinc/68/80/74/585688074.db2.gz BKDFMIMMGRXPSI-MPEURRAXSA-N 1 3 238.375 1.484 20 0 BDADHO c1ccc2c(c1)CC[C@@H]2CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000780284993 585776694 /nfs/dbraw/zinc/77/66/94/585776694.db2.gz HBAFOMPKTKAWJC-RBSFLKMASA-N 1 3 242.366 1.868 20 0 BDADHO C[C@H]1CC[C@@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000783240803 585831856 /nfs/dbraw/zinc/83/18/56/585831856.db2.gz RQVMGUWTCGXSOD-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000788471857 585925386 /nfs/dbraw/zinc/92/53/86/585925386.db2.gz VLWUZWSNFZYCMG-LLVKDONJSA-N 1 3 212.337 1.049 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cc[nH]c(=O)c1 ZINC000788694062 585929128 /nfs/dbraw/zinc/92/91/28/585929128.db2.gz UQGPNPKQGPRXBG-LLVKDONJSA-N 1 3 247.342 1.700 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCN(CCCCO)C2)C1 ZINC000815145518 586670276 /nfs/dbraw/zinc/67/02/76/586670276.db2.gz XIQVWSLYIBYTNS-CYBMUJFWSA-N 1 3 226.364 1.177 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCN(CCCCO)C2)C1 ZINC000815145518 586670278 /nfs/dbraw/zinc/67/02/78/586670278.db2.gz XIQVWSLYIBYTNS-CYBMUJFWSA-N 1 3 226.364 1.177 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000817889108 586832346 /nfs/dbraw/zinc/83/23/46/586832346.db2.gz MLXHMKARKHYKMS-YRGRVCCFSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@H](NC[C@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891663 586832646 /nfs/dbraw/zinc/83/26/46/586832646.db2.gz NATXNODSAKICPJ-RYUDHWBXSA-N 1 3 246.354 1.435 20 0 BDADHO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)C1CNC1 ZINC000817891663 586832648 /nfs/dbraw/zinc/83/26/48/586832648.db2.gz NATXNODSAKICPJ-RYUDHWBXSA-N 1 3 246.354 1.435 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1cccnc1 ZINC000817891826 586833028 /nfs/dbraw/zinc/83/30/28/586833028.db2.gz HPVDKHYASUEZOD-GHMZBOCLSA-N 1 3 223.320 1.176 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1COc2ccccc2C1 ZINC000817891888 586833233 /nfs/dbraw/zinc/83/32/33/586833233.db2.gz PFDXWGLHCQMDNS-MRVWCRGKSA-N 1 3 246.354 1.707 20 0 BDADHO CSCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)N ZINC000817894115 586834376 /nfs/dbraw/zinc/83/43/76/586834376.db2.gz BRHJXSWVENREKN-KXUCPTDWSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@H](C[C@@H](O)c1ccccc1)N[C@H](C)C1C[NH2+]C1 ZINC000817905242 586837053 /nfs/dbraw/zinc/83/70/53/586837053.db2.gz KYVZDLJUIMBASC-LALPHHSUSA-N 1 3 248.370 1.696 20 0 BDADHO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000817905242 586837054 /nfs/dbraw/zinc/83/70/54/586837054.db2.gz KYVZDLJUIMBASC-LALPHHSUSA-N 1 3 248.370 1.696 20 0 BDADHO C[C@@H]1CCCN1CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000817912273 586837913 /nfs/dbraw/zinc/83/79/13/586837913.db2.gz FTLFXAUBJNLQTB-UPJWGTAASA-N 1 3 225.380 1.058 20 0 BDADHO Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000817910074 586837959 /nfs/dbraw/zinc/83/79/59/586837959.db2.gz JGVHVFWYNXTZTL-MELADBBJSA-N 1 3 234.343 1.498 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](O)c1ccco1 ZINC000817912331 586838244 /nfs/dbraw/zinc/83/82/44/586838244.db2.gz ABKRUQWMRKIQBX-TUAOUCFPSA-N 1 3 238.331 1.420 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCCCO ZINC000817918039 586840465 /nfs/dbraw/zinc/84/04/65/586840465.db2.gz GMYFBUQSYUZSLR-CHWSQXEVSA-N 1 3 228.380 1.517 20 0 BDADHO Cn1nccc1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817922589 586840638 /nfs/dbraw/zinc/84/06/38/586840638.db2.gz HONCEZPOKZNKPN-QWHCGFSZSA-N 1 3 236.363 1.212 20 0 BDADHO C[C@H](CNC[C@@H](O)C1CC1)C[NH+]1CCCC1 ZINC000818965991 586918092 /nfs/dbraw/zinc/91/80/92/586918092.db2.gz GIWJXVUAGPJATQ-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](C[NH2+]C[C@@H](O)C1CC1)CN1CCCC1 ZINC000818965991 586918093 /nfs/dbraw/zinc/91/80/93/586918093.db2.gz GIWJXVUAGPJATQ-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC000819151911 586933718 /nfs/dbraw/zinc/93/37/18/586933718.db2.gz HSICJGYVBPFAKW-JSGCOSHPSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](O)C2CC2)C1 ZINC000819151911 586933719 /nfs/dbraw/zinc/93/37/19/586933719.db2.gz HSICJGYVBPFAKW-JSGCOSHPSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)CN1CC[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000819151911 586933720 /nfs/dbraw/zinc/93/37/20/586933720.db2.gz HSICJGYVBPFAKW-JSGCOSHPSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820803413 587072909 /nfs/dbraw/zinc/07/29/09/587072909.db2.gz SSRQAYXQLQGSOR-KVAMGIGCSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820803413 587072911 /nfs/dbraw/zinc/07/29/11/587072911.db2.gz SSRQAYXQLQGSOR-KVAMGIGCSA-N 1 3 224.348 1.115 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1CC[NH+]1CCCC1 ZINC000823184284 587206882 /nfs/dbraw/zinc/20/68/82/587206882.db2.gz CSQGPBYNYWNEIT-AWEZNQCLSA-N 1 3 239.407 1.354 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NCCN1CCC[C@@H]1C ZINC000831971246 587640785 /nfs/dbraw/zinc/64/07/85/587640785.db2.gz UHTVMTQBSFPQAG-AAEUAGOBSA-N 1 3 241.379 1.104 20 0 BDADHO C[NH2+]CCCN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841042649 587934707 /nfs/dbraw/zinc/93/47/07/587934707.db2.gz OMNAUTFPNWHXCB-OUAUKWLOSA-N 1 3 246.445 1.565 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841042649 587934708 /nfs/dbraw/zinc/93/47/08/587934708.db2.gz OMNAUTFPNWHXCB-OUAUKWLOSA-N 1 3 246.445 1.565 20 0 BDADHO CCOC[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000841032168 587937264 /nfs/dbraw/zinc/93/72/64/587937264.db2.gz NTOYAXSTKFLLCE-LBPRGKRZSA-N 1 3 236.359 1.702 20 0 BDADHO C[C@H](C[NH3+])CNCc1cncc2ccccc21 ZINC000841049671 587939662 /nfs/dbraw/zinc/93/96/62/587939662.db2.gz VDWBOUZRWXRNSU-LLVKDONJSA-N 1 3 229.327 1.919 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC2(C)C)CCO1 ZINC000841086624 587945617 /nfs/dbraw/zinc/94/56/17/587945617.db2.gz OSUSFAQJSDLLHZ-UTUOFQBUSA-N 1 3 226.364 1.532 20 0 BDADHO Nc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000843119881 588083570 /nfs/dbraw/zinc/08/35/70/588083570.db2.gz JWWGJDPHFDWWBO-UHFFFAOYSA-N 1 3 246.358 1.239 20 0 BDADHO C[C@H]1CN(CCOCC[NH3+])Cc2ccccc21 ZINC000843356270 588103109 /nfs/dbraw/zinc/10/31/09/588103109.db2.gz LCDGUMMABDSZEW-LBPRGKRZSA-N 1 3 234.343 1.581 20 0 BDADHO FCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386056 588105343 /nfs/dbraw/zinc/10/53/43/588105343.db2.gz BISCPNFQVISLMP-RYUDHWBXSA-N 1 3 214.328 1.668 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ncc[nH]1 ZINC000848558778 588397053 /nfs/dbraw/zinc/39/70/53/588397053.db2.gz SDDHSWXTSWXCIJ-GARJFASQSA-N 1 3 222.336 1.401 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)c2ccco2)C1 ZINC000848719992 588408244 /nfs/dbraw/zinc/40/82/44/588408244.db2.gz QJIQOFGLEJXJLG-VWYCJHECSA-N 1 3 224.304 1.173 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000848719565 588408540 /nfs/dbraw/zinc/40/85/40/588408540.db2.gz JUDUSSFQUKHJLZ-QJPTWQEYSA-N 1 3 238.331 1.481 20 0 BDADHO CCNC(=[NH2+])NC[C@H](CC(C)C)N1CCCC1 ZINC000848984164 588425001 /nfs/dbraw/zinc/42/50/01/588425001.db2.gz VCFAADJTTDIRGX-LBPRGKRZSA-N 1 3 240.395 1.631 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCC1)N1CCC[C@H](C)C1 ZINC000848986956 588425735 /nfs/dbraw/zinc/42/57/35/588425735.db2.gz BREVXVCFWDEHMO-NWDGAFQWSA-N 1 3 238.379 1.337 20 0 BDADHO CNC(=[NH2+])NC[C@H](C(C)C)N1CCC(C)CC1 ZINC000848986509 588425776 /nfs/dbraw/zinc/42/57/76/588425776.db2.gz ZSLPMEPOOHJAQL-GFCCVEGCSA-N 1 3 240.395 1.487 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCC1)N1CCCC[C@H]1C ZINC000848987083 588426036 /nfs/dbraw/zinc/42/60/36/588426036.db2.gz HTCXHDVIFJDGLJ-VXGBXAGGSA-N 1 3 238.379 1.479 20 0 BDADHO CN(C)C(=[NH2+])NCCN(C)C1CCCCC1 ZINC000848987938 588426257 /nfs/dbraw/zinc/42/62/57/588426257.db2.gz QSXOQZBMRPNQPT-UHFFFAOYSA-N 1 3 226.368 1.337 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCC1)N1CCCC[C@@H]1C ZINC000848987082 588426353 /nfs/dbraw/zinc/42/63/53/588426353.db2.gz HTCXHDVIFJDGLJ-RYUDHWBXSA-N 1 3 238.379 1.479 20 0 BDADHO C[C@H]1CCN(CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000849004376 588431486 /nfs/dbraw/zinc/43/14/86/588431486.db2.gz OCRAOSSOARILLG-LBPRGKRZSA-N 1 3 246.358 1.965 20 0 BDADHO CCCCNC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004256 588431506 /nfs/dbraw/zinc/43/15/06/588431506.db2.gz JPTUGZBPANBPCC-NSHDSACASA-N 1 3 226.368 1.242 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)F ZINC000849033602 588444025 /nfs/dbraw/zinc/44/40/25/588444025.db2.gz RHCFKFGDTJMLKO-WDEREUQCSA-N 1 3 244.358 1.333 20 0 BDADHO CCN(CC)C(=[NH2+])NCCN1CCCC1(C)C ZINC000849039366 588446789 /nfs/dbraw/zinc/44/67/89/588446789.db2.gz UMYMFCCBFABDJI-UHFFFAOYSA-N 1 3 240.395 1.727 20 0 BDADHO CC[C@@H](CNC1=[NH+]CCCCN1)N1CCCC1 ZINC000849215550 588462374 /nfs/dbraw/zinc/46/23/74/588462374.db2.gz PYSVXUJJMMMKJZ-LBPRGKRZSA-N 1 3 238.379 1.190 20 0 BDADHO Cc1ccc2c(c1)CC[C@H]2NCCOCCC[NH3+] ZINC000863548042 589298556 /nfs/dbraw/zinc/29/85/56/589298556.db2.gz UHAWWHCWYBYECD-OAHLLOKOSA-N 1 3 248.370 1.937 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000864453367 589365492 /nfs/dbraw/zinc/36/54/92/589365492.db2.gz YYJHVJHDUGLCTE-GFCCVEGCSA-N 1 3 240.395 1.773 20 0 BDADHO CCC(CC)NC(=[NH2+])NCCCN(C)C ZINC000864453074 589365787 /nfs/dbraw/zinc/36/57/87/589365787.db2.gz WRGLRIDATKHKRO-UHFFFAOYSA-N 1 3 214.357 1.241 20 0 BDADHO CC[C@H]1CCN(C(=[NH2+])NC[C@@H](C)CN(C)C)C1 ZINC000864465828 589370726 /nfs/dbraw/zinc/37/07/26/589370726.db2.gz BYUIFMLIYSVMHC-NEPJUHHUSA-N 1 3 240.395 1.440 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1cc(F)cc(C[NH3+])c1 ZINC000868069289 589547845 /nfs/dbraw/zinc/54/78/45/589547845.db2.gz JVZMEZCXGZLDEM-NSHDSACASA-N 1 3 239.294 1.206 20 0 BDADHO C1CN[C@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)C1 ZINC000871792143 589820189 /nfs/dbraw/zinc/82/01/89/589820189.db2.gz PJNXYGSSZRMFOO-GYIHNLGQSA-N 1 3 248.330 1.492 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141799 589882613 /nfs/dbraw/zinc/88/26/13/589882613.db2.gz TYXHQJXPBWBLBX-RYUDHWBXSA-N 1 3 224.348 1.226 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCSC2)C1 ZINC000872253170 589900437 /nfs/dbraw/zinc/90/04/37/589900437.db2.gz ZYBDWBSSKOBGQE-WDEREUQCSA-N 1 3 228.405 1.860 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000872253170 589900438 /nfs/dbraw/zinc/90/04/38/589900438.db2.gz ZYBDWBSSKOBGQE-WDEREUQCSA-N 1 3 228.405 1.860 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCOC2)C1 ZINC000872252576 589900633 /nfs/dbraw/zinc/90/06/33/589900633.db2.gz ULYAYLQYVCPQIU-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCOC2)C1 ZINC000872252574 589900788 /nfs/dbraw/zinc/90/07/88/589900788.db2.gz ULYAYLQYVCPQIU-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254219 589901262 /nfs/dbraw/zinc/90/12/62/589901262.db2.gz WTYTWINQIIUHQR-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254220 589901521 /nfs/dbraw/zinc/90/15/21/589901521.db2.gz WTYTWINQIIUHQR-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC000873219341 589999000 /nfs/dbraw/zinc/99/90/00/589999000.db2.gz YCKBKQSPSVTQMZ-UHFFFAOYSA-N 1 3 245.330 1.224 20 0 BDADHO COC(=O)CC[C@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000873229383 590001962 /nfs/dbraw/zinc/00/19/62/590001962.db2.gz VOEQLPXFUOGWJE-LLVKDONJSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CC[C@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000873229383 590001965 /nfs/dbraw/zinc/00/19/65/590001965.db2.gz VOEQLPXFUOGWJE-LLVKDONJSA-N 1 3 242.363 1.389 20 0 BDADHO CN(CCCCCC[NH3+])CC1(F)CC1 ZINC000873231271 590002750 /nfs/dbraw/zinc/00/27/50/590002750.db2.gz CASHHYCICMUVAR-UHFFFAOYSA-N 1 3 202.317 1.939 20 0 BDADHO c1cc(CN[C@@H]2CCCCC23CC[NH2+]CC3)n[nH]1 ZINC000873232925 590003218 /nfs/dbraw/zinc/00/32/18/590003218.db2.gz RRELMGFMYQSVDB-CYBMUJFWSA-N 1 3 248.374 1.812 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCCS1 ZINC000873244630 590006975 /nfs/dbraw/zinc/00/69/75/590006975.db2.gz TZTFPWDRNCXYJU-AXFHLTTASA-N 1 3 216.394 1.988 20 0 BDADHO Cc1ccc([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000873254991 590009994 /nfs/dbraw/zinc/00/99/94/590009994.db2.gz CLCJCWJQWAMKMI-MXWKQRLJSA-N 1 3 208.305 1.976 20 0 BDADHO Cc1nc([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)cs1 ZINC000873255346 590011000 /nfs/dbraw/zinc/01/10/00/590011000.db2.gz GMVHUSKZPQVOFO-HGNGGELXSA-N 1 3 225.361 1.839 20 0 BDADHO C[C@@H](N[C@H]1C[C@@H](C)n2ccnc21)C1CC[NH2+]CC1 ZINC000873269186 590015271 /nfs/dbraw/zinc/01/52/71/590015271.db2.gz DLFSHRFYDPTBNJ-WZRBSPASSA-N 1 3 248.374 1.867 20 0 BDADHO C[C@H](N[C@@H](C)C1CC[NH2+]CC1)c1cnccn1 ZINC000873270065 590015962 /nfs/dbraw/zinc/01/59/62/590015962.db2.gz OPVNVBKZJVXNQT-QWRGUYRKSA-N 1 3 234.347 1.515 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@H]1CCOC1=O ZINC000873282249 590018576 /nfs/dbraw/zinc/01/85/76/590018576.db2.gz GODWUNFDTXEVNL-AXFHLTTASA-N 1 3 228.336 1.045 20 0 BDADHO CCN1CCN(CCCCCCC[NH3+])CC1 ZINC000020073874 590070876 /nfs/dbraw/zinc/07/08/76/590070876.db2.gz JWRHUGPTVPVAIK-UHFFFAOYSA-N 1 3 227.396 1.533 20 0 BDADHO CCCCCCN(C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103496 590283728 /nfs/dbraw/zinc/28/37/28/590283728.db2.gz VSZJNNLVUBBCJR-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)CNC2CC2)cc1 ZINC000877137272 590290937 /nfs/dbraw/zinc/29/09/37/590290937.db2.gz RQKJUACFQWBWPY-QWHCGFSZSA-N 1 3 245.326 1.192 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000877743775 590410708 /nfs/dbraw/zinc/41/07/08/590410708.db2.gz YGSSTQGRIFIXCK-HZSPNIEDSA-N 1 3 236.359 1.705 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CC[C@H]21 ZINC000877743775 590410709 /nfs/dbraw/zinc/41/07/09/590410709.db2.gz YGSSTQGRIFIXCK-HZSPNIEDSA-N 1 3 236.359 1.705 20 0 BDADHO C(C1CC2(CCC2)C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000877982312 590464883 /nfs/dbraw/zinc/46/48/83/590464883.db2.gz OXYPONIKKPNYLK-STQMWFEESA-N 1 3 220.360 1.718 20 0 BDADHO CC(C)[C@@H](O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000878125199 590501698 /nfs/dbraw/zinc/50/16/98/590501698.db2.gz NVLUDHBEVPCPRL-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CC(C)[C@@H](O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125199 590501700 /nfs/dbraw/zinc/50/17/00/590501700.db2.gz NVLUDHBEVPCPRL-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CC(C)[C@H](O)CC[N@H+](C)CCCN1CCCC1 ZINC000878549158 590590565 /nfs/dbraw/zinc/59/05/65/590590565.db2.gz BPPKKFJMOXKMRW-CQSZACIVSA-N 1 3 242.407 1.811 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+](C)CCCN1CCCC1 ZINC000878549158 590590566 /nfs/dbraw/zinc/59/05/66/590590566.db2.gz BPPKKFJMOXKMRW-CQSZACIVSA-N 1 3 242.407 1.811 20 0 BDADHO C=C/C=C\CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865979 590634737 /nfs/dbraw/zinc/63/47/37/590634737.db2.gz OSXLYAWUFTWRAE-GXMNPTEKSA-N 1 3 238.375 1.507 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879578617 590816732 /nfs/dbraw/zinc/81/67/32/590816732.db2.gz FZHFTUVJLJFSLP-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879578617 590816734 /nfs/dbraw/zinc/81/67/34/590816734.db2.gz FZHFTUVJLJFSLP-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879578618 590819127 /nfs/dbraw/zinc/81/91/27/590819127.db2.gz FZHFTUVJLJFSLP-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879578618 590819128 /nfs/dbraw/zinc/81/91/28/590819128.db2.gz FZHFTUVJLJFSLP-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCN3C)C2)O1 ZINC000879583347 590821894 /nfs/dbraw/zinc/82/18/94/590821894.db2.gz XYNDMYZIHHTTEO-RQJABVFESA-N 1 3 238.375 1.580 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCN3C)C2)O1 ZINC000879583347 590821895 /nfs/dbraw/zinc/82/18/95/590821895.db2.gz XYNDMYZIHHTTEO-RQJABVFESA-N 1 3 238.375 1.580 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580831 590822288 /nfs/dbraw/zinc/82/22/88/590822288.db2.gz UZKDDXJPSOZTAR-AGIUHOORSA-N 1 3 240.391 1.419 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(C[C@H](O)C(C)(C)C)CC[C@@H]21 ZINC000879580831 590822293 /nfs/dbraw/zinc/82/22/93/590822293.db2.gz UZKDDXJPSOZTAR-AGIUHOORSA-N 1 3 240.391 1.419 20 0 BDADHO CC1(N2CCC2)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000880469970 591052863 /nfs/dbraw/zinc/05/28/63/591052863.db2.gz FOSUTQNKDZBAJE-ZDUSSCGKSA-N 1 3 238.375 1.726 20 0 BDADHO C[C@@H](O)CCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880474252 591052975 /nfs/dbraw/zinc/05/29/75/591052975.db2.gz WJONKWKIJSKWPD-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473049 591053873 /nfs/dbraw/zinc/05/38/73/591053873.db2.gz NAABGLIJFKKJRF-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO CCN1CC[C@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000883356626 591627289 /nfs/dbraw/zinc/62/72/89/591627289.db2.gz RMFAEZICWSHSMY-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356626 591627293 /nfs/dbraw/zinc/62/72/93/591627293.db2.gz RMFAEZICWSHSMY-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356626 591627296 /nfs/dbraw/zinc/62/72/96/591627296.db2.gz RMFAEZICWSHSMY-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1C[C@@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000883430730 591661960 /nfs/dbraw/zinc/66/19/60/591661960.db2.gz AZWYRQXLRGTNNR-RNJOBUHISA-N 1 3 243.370 1.101 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CC2(CCC2)CO1 ZINC000883441765 591670148 /nfs/dbraw/zinc/67/01/48/591670148.db2.gz XCKUNLKNKUTRHH-QJPTWQEYSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000883441765 591670153 /nfs/dbraw/zinc/67/01/53/591670153.db2.gz XCKUNLKNKUTRHH-QJPTWQEYSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132219462 591693882 /nfs/dbraw/zinc/69/38/82/591693882.db2.gz FWEUKUPVMIDZJJ-NZPIUUIZSA-N 1 3 232.327 1.898 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1cccc(CN)c1 ZINC000884358635 591912510 /nfs/dbraw/zinc/91/25/10/591912510.db2.gz USLIKIQOBWPGIU-RYUDHWBXSA-N 1 3 247.342 1.001 20 0 BDADHO C[C@@H]([NH3+])C1CCN(C/C=C\Cl)CC1 ZINC000215389355 591946818 /nfs/dbraw/zinc/94/68/18/591946818.db2.gz BLFRYMJAYWTYSO-JHYPKJRRSA-N 1 3 202.729 1.798 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1C[C@@]12CCOC2 ZINC000886829753 592350257 /nfs/dbraw/zinc/35/02/57/592350257.db2.gz GPDFOAYGMYOVIF-MGPQQGTHSA-N 1 3 240.391 1.718 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886838552 592358096 /nfs/dbraw/zinc/35/80/96/592358096.db2.gz ZSYIKGDUPWBJKH-RDBSUJKOSA-N 1 3 238.375 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886838552 592358103 /nfs/dbraw/zinc/35/81/03/592358103.db2.gz ZSYIKGDUPWBJKH-RDBSUJKOSA-N 1 3 238.375 1.616 20 0 BDADHO [NH3+]CCCCCCN1CCCn2nncc2C1 ZINC000886858040 592370081 /nfs/dbraw/zinc/37/00/81/592370081.db2.gz KBCRMUDTNWXRHL-UHFFFAOYSA-N 1 3 237.351 1.003 20 0 BDADHO CC[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000925704917 634387134 /nfs/dbraw/zinc/38/71/34/634387134.db2.gz IJTWOSULIQQXOO-LPWJVIDDSA-N 1 3 226.364 1.674 20 0 BDADHO CC[NH+]1CCC(CNCc2cn(C)cn2)CC1 ZINC000310109767 634527302 /nfs/dbraw/zinc/52/73/02/634527302.db2.gz FAZUPOZRGVGBHO-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO C[NH+](C)CCOCCN[C@H]1CCc2cccnc21 ZINC000234265404 635551030 /nfs/dbraw/zinc/55/10/30/635551030.db2.gz SLQJMTRGNUOANS-ZDUSSCGKSA-N 1 3 249.358 1.237 20 0 BDADHO COC[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062078988 631646018 /nfs/dbraw/zinc/64/60/18/631646018.db2.gz MYOLWZJPMDVLOR-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062078988 631646021 /nfs/dbraw/zinc/64/60/21/631646021.db2.gz MYOLWZJPMDVLOR-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CN(CCC1CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056139 631832798 /nfs/dbraw/zinc/83/27/98/631832798.db2.gz JZPAZMJOTGREQG-CYBMUJFWSA-N 1 3 226.364 1.175 20 0 BDADHO Cc1nc(CNC2CCC([NH3+])CC2)cs1 ZINC000051692735 631868962 /nfs/dbraw/zinc/86/89/62/631868962.db2.gz SRCNJADFARTYJT-UHFFFAOYSA-N 1 3 225.361 1.811 20 0 BDADHO C[C@H](NCC[NH2+]C(C)(C)C)C1CCOCC1 ZINC000235512069 632042104 /nfs/dbraw/zinc/04/21/04/632042104.db2.gz OUPVIQVNMZYKEL-NSHDSACASA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@]1(C[NH3+])CCN(CCc2cccs2)C1 ZINC000235438814 632735333 /nfs/dbraw/zinc/73/53/33/632735333.db2.gz RKMORSVJYPDIEO-LBPRGKRZSA-N 1 3 224.373 1.961 20 0 BDADHO c1cncc(CCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000310564264 632759754 /nfs/dbraw/zinc/75/97/54/632759754.db2.gz WVSAERAKKLIWFI-UONOGXRCSA-N 1 3 231.343 1.165 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000236261173 632770423 /nfs/dbraw/zinc/77/04/23/632770423.db2.gz GBFSVJMTFUFPRU-AGIUHOORSA-N 1 3 226.364 1.520 20 0 BDADHO CC(C)OCCN[C@@H]1CCC[NH2+]CC1 ZINC000158933887 632809235 /nfs/dbraw/zinc/80/92/35/632809235.db2.gz UTAUFILGTIDPSQ-LLVKDONJSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@@H](CNC(=[NH2+])NC1CCCC1)N1CCCC1 ZINC000066245322 632861284 /nfs/dbraw/zinc/86/12/84/632861284.db2.gz DFDZIFYMLQXEBJ-NSHDSACASA-N 1 3 238.379 1.527 20 0 BDADHO CC[C@H](NC(CN)C[NH3+])c1ccccc1 ZINC000309452826 633085899 /nfs/dbraw/zinc/08/58/99/633085899.db2.gz MXECDPZYUONEMZ-LBPRGKRZSA-N 1 3 207.321 1.013 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000328508005 633773093 /nfs/dbraw/zinc/77/30/93/633773093.db2.gz ZELCQTCGROWTJM-VWBGDHHKSA-N 1 3 220.360 1.761 20 0 BDADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCCC1 ZINC000328544486 633774632 /nfs/dbraw/zinc/77/46/32/633774632.db2.gz LNEXTYAFHQLHPT-MEBFFEOJSA-N 1 3 220.360 1.763 20 0 BDADHO C[C@@H](N(C)C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983076 634026465 /nfs/dbraw/zinc/02/64/65/634026465.db2.gz GJRNJCBDBJNOBE-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@H](O)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925560455 634042373 /nfs/dbraw/zinc/04/23/73/634042373.db2.gz MBXLVFHTGRAIJT-RNJOBUHISA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@H](O)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925560455 634042378 /nfs/dbraw/zinc/04/23/78/634042378.db2.gz MBXLVFHTGRAIJT-RNJOBUHISA-N 1 3 240.391 1.514 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1(CF)CCOCC1 ZINC000925683349 634287235 /nfs/dbraw/zinc/28/72/35/634287235.db2.gz PDDLHIHLBMMUPK-RYUDHWBXSA-N 1 3 244.354 1.483 20 0 BDADHO CCN(CC)C(=O)CN(C)CCCCCC[NH3+] ZINC000310171451 635292503 /nfs/dbraw/zinc/29/25/03/635292503.db2.gz UDVVMDAHJQFDAL-UHFFFAOYSA-N 1 3 243.395 1.306 20 0 BDADHO COC[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C(C)C ZINC000925873893 635595640 /nfs/dbraw/zinc/59/56/40/635595640.db2.gz MWGOWPVMMHGWJI-AGIUHOORSA-N 1 3 228.380 1.622 20 0 BDADHO COC[C@@H](C[NH2+][C@H](C)C1CNC1)C(C)C ZINC000925874524 635596069 /nfs/dbraw/zinc/59/60/69/635596069.db2.gz SJFVOJUHIBLXLC-ZYHUDNBSSA-N 1 3 214.353 1.103 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872145906 636573590 /nfs/dbraw/zinc/57/35/90/636573590.db2.gz YZBGPUNPYNKXHB-ODXJTPSBSA-N 1 3 238.375 1.804 20 0 BDADHO C[N@H+](C[C@@H]1CCCOC1)C[C@]1(C)CCCNC1 ZINC000111179166 636967595 /nfs/dbraw/zinc/96/75/95/636967595.db2.gz DHRCZJPBOFCAJA-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](C[C@@H]1CCCOC1)C[C@]1(C)CCCNC1 ZINC000111179166 636967601 /nfs/dbraw/zinc/96/76/01/636967601.db2.gz DHRCZJPBOFCAJA-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CN(C[C@@H]1CCCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000111179166 636967609 /nfs/dbraw/zinc/96/76/09/636967609.db2.gz DHRCZJPBOFCAJA-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C(C)(C)CO ZINC000924718562 637032841 /nfs/dbraw/zinc/03/28/41/637032841.db2.gz ZKOVJQDABHEYLI-QWHCGFSZSA-N 1 3 242.407 1.715 20 0 BDADHO COC(=O)CCC1([NH2+]CCCN)CCCCC1 ZINC000904433331 637401309 /nfs/dbraw/zinc/40/13/09/637401309.db2.gz LOKWCCNUEMPGNI-UHFFFAOYSA-N 1 3 242.363 1.581 20 0 BDADHO CC(C)(C)NCc1cn(CCCCC[NH3+])nn1 ZINC000905056719 637588359 /nfs/dbraw/zinc/58/83/59/637588359.db2.gz DVAVTSLPYDSDFG-UHFFFAOYSA-N 1 3 239.367 1.295 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+]C2CC(N)C2)CCO1 ZINC000906510130 638184633 /nfs/dbraw/zinc/18/46/33/638184633.db2.gz NDEVMAFQERYNKY-XKGSQUFQSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC000906517338 638187788 /nfs/dbraw/zinc/18/77/88/638187788.db2.gz NDEVMAFQERYNKY-DDHJBXDOSA-N 1 3 212.337 1.271 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+][C@H]1C[C@H](N)C1)C2 ZINC000906518545 638188125 /nfs/dbraw/zinc/18/81/25/638188125.db2.gz RNHMSJOKMJFXFZ-AVGNSLFASA-N 1 3 246.354 1.632 20 0 BDADHO COc1cccc2c1CC[C@H](N[C@H]1C[C@H]([NH3+])C1)C2 ZINC000906518545 638188128 /nfs/dbraw/zinc/18/81/28/638188128.db2.gz RNHMSJOKMJFXFZ-AVGNSLFASA-N 1 3 246.354 1.632 20 0 BDADHO Cc1cc(NC2CC[NH+](C(C)C)CC2)nc(N)n1 ZINC000043533254 638520324 /nfs/dbraw/zinc/52/03/24/638520324.db2.gz QSKDNEQHDWXPDE-UHFFFAOYSA-N 1 3 249.362 1.652 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000911764469 639791916 /nfs/dbraw/zinc/79/19/16/639791916.db2.gz TWNRTKMVXWHCPA-NWDGAFQWSA-N 1 3 243.395 1.254 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000911800144 639822256 /nfs/dbraw/zinc/82/22/56/639822256.db2.gz OOQFXWRBHRTHHB-WDEREUQCSA-N 1 3 243.395 1.384 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911817789 639850796 /nfs/dbraw/zinc/85/07/96/639850796.db2.gz GVPKDWSURZIKSO-TUAOUCFPSA-N 1 3 243.395 1.240 20 0 BDADHO C[C@@H]1COCCN1CCCCCC[NH3+] ZINC000035776913 639920917 /nfs/dbraw/zinc/92/09/17/639920917.db2.gz BBZVDTFWSPTANJ-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@@H](N(C)C)[C@@H]1C ZINC000931038484 640032536 /nfs/dbraw/zinc/03/25/36/640032536.db2.gz RPAJRLHOEDIIQD-WCQYABFASA-N 1 3 236.363 1.216 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@@H](N(C)C)[C@@H]1C ZINC000931038484 640032543 /nfs/dbraw/zinc/03/25/43/640032543.db2.gz RPAJRLHOEDIIQD-WCQYABFASA-N 1 3 236.363 1.216 20 0 BDADHO C[NH+](C)C1(C)CCN(C[C@H]2CCCOC2)CC1 ZINC000931351110 640167221 /nfs/dbraw/zinc/16/72/21/640167221.db2.gz HDGPYJZRFLNLIG-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)C1(C)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000931351110 640167229 /nfs/dbraw/zinc/16/72/29/640167229.db2.gz HDGPYJZRFLNLIG-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931438025 640202844 /nfs/dbraw/zinc/20/28/44/640202844.db2.gz XXBZPYJPAPMTET-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO COCC[C@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931438025 640202850 /nfs/dbraw/zinc/20/28/50/640202850.db2.gz XXBZPYJPAPMTET-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(N)n1 ZINC000221676751 640415198 /nfs/dbraw/zinc/41/51/98/640415198.db2.gz YHQWGCWIOIVIAX-SNVBAGLBSA-N 1 3 247.346 1.263 20 0 BDADHO Cc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(N)n1 ZINC000221676751 640415209 /nfs/dbraw/zinc/41/52/09/640415209.db2.gz YHQWGCWIOIVIAX-SNVBAGLBSA-N 1 3 247.346 1.263 20 0 BDADHO CC(C)[C@@H](O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734339 640757246 /nfs/dbraw/zinc/75/72/46/640757246.db2.gz OGFFPACOXPYTHE-MELADBBJSA-N 1 3 240.391 1.277 20 0 BDADHO CC(C)[C@@H](O)CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734339 640757249 /nfs/dbraw/zinc/75/72/49/640757249.db2.gz OGFFPACOXPYTHE-MELADBBJSA-N 1 3 240.391 1.277 20 0 BDADHO COC[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000226700764 640789896 /nfs/dbraw/zinc/78/98/96/640789896.db2.gz DNBYOIAVILFMKG-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000226700764 640789900 /nfs/dbraw/zinc/78/99/00/640789900.db2.gz DNBYOIAVILFMKG-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000226700764 640789906 /nfs/dbraw/zinc/78/99/06/640789906.db2.gz DNBYOIAVILFMKG-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000169068926 640841558 /nfs/dbraw/zinc/84/15/58/640841558.db2.gz FCCMTBDJNQJSFL-MXWKQRLJSA-N 1 3 216.394 1.845 20 0 BDADHO CN(C[C@@H](O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000232148348 641246568 /nfs/dbraw/zinc/24/65/68/641246568.db2.gz HQUZMZKIFNRPOP-AWEZNQCLSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@H+](C[C@@H](O)CC1CCCC1)C1CCNCC1 ZINC000232148348 641246580 /nfs/dbraw/zinc/24/65/80/641246580.db2.gz HQUZMZKIFNRPOP-AWEZNQCLSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@@H+](C[C@@H](O)CC1CCCC1)C1CCNCC1 ZINC000232148348 641246585 /nfs/dbraw/zinc/24/65/85/641246585.db2.gz HQUZMZKIFNRPOP-AWEZNQCLSA-N 1 3 240.391 1.611 20 0 BDADHO C(COCC1CC1)N[C@H]1CCC[NH2+]CC1 ZINC000232459030 641286550 /nfs/dbraw/zinc/28/65/50/641286550.db2.gz WLLNJHXYWRRCJU-LBPRGKRZSA-N 1 3 212.337 1.145 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000089147686 641464997 /nfs/dbraw/zinc/46/49/97/641464997.db2.gz FQPSMIOJWBMNRX-NWDGAFQWSA-N 1 3 248.326 1.632 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CCCN[C@@H]1C ZINC000925475519 642421290 /nfs/dbraw/zinc/42/12/90/642421290.db2.gz UZGXNNUIONDVPQ-YPMHNXCESA-N 1 3 236.363 1.312 20 0 BDADHO C[C@@H]1CN(CCCCCC[NH3+])[C@H](C)CO1 ZINC000035787491 643253441 /nfs/dbraw/zinc/25/34/41/643253441.db2.gz ZNXHJOOTSDQJRU-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084217114 643651231 /nfs/dbraw/zinc/65/12/31/643651231.db2.gz WEOMTNRBDDMMPF-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@@H]1[C@@H](NCc2cnccc2N(C)C)CC[N@@H+]1C ZINC000922558812 644020356 /nfs/dbraw/zinc/02/03/56/644020356.db2.gz XDPZFYPIUFONNT-YPMHNXCESA-N 1 3 248.374 1.330 20 0 BDADHO C[C@@H]1[C@@H](NCc2cnccc2N(C)C)CC[N@H+]1C ZINC000922558812 644020360 /nfs/dbraw/zinc/02/03/60/644020360.db2.gz XDPZFYPIUFONNT-YPMHNXCESA-N 1 3 248.374 1.330 20 0 BDADHO CCC[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922820754 644111042 /nfs/dbraw/zinc/11/10/42/644111042.db2.gz JIDJALRDXCYLIM-MJBXVCDLSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922820754 644111043 /nfs/dbraw/zinc/11/10/43/644111043.db2.gz JIDJALRDXCYLIM-MJBXVCDLSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000923279390 644311339 /nfs/dbraw/zinc/31/13/39/644311339.db2.gz NDDUJZBGXANQKP-RDBSUJKOSA-N 1 3 242.407 1.985 20 0 BDADHO CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000923279390 644311345 /nfs/dbraw/zinc/31/13/45/644311345.db2.gz NDDUJZBGXANQKP-RDBSUJKOSA-N 1 3 242.407 1.985 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923289790 644324590 /nfs/dbraw/zinc/32/45/90/644324590.db2.gz LZJFASCAHNUPAJ-HZSPNIEDSA-N 1 3 242.407 1.987 20 0 BDADHO CCOCCOCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923290532 644325824 /nfs/dbraw/zinc/32/58/24/644325824.db2.gz YNUBTKUYJKVDIE-STQMWFEESA-N 1 3 244.379 1.099 20 0 BDADHO NC1(C[NH2+]C[C@@H](O)c2ccccc2)CCC1 ZINC000923334702 644356977 /nfs/dbraw/zinc/35/69/77/644356977.db2.gz XTOQHGYDIDNIGM-GFCCVEGCSA-N 1 3 220.316 1.191 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1N ZINC000923365006 644376339 /nfs/dbraw/zinc/37/63/39/644376339.db2.gz BWLXAWGXSLDHSM-VHDGCEQUSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@H]1N ZINC000923365006 644376346 /nfs/dbraw/zinc/37/63/46/644376346.db2.gz BWLXAWGXSLDHSM-VHDGCEQUSA-N 1 3 248.370 1.259 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H](O)CC(F)(F)F ZINC000923366969 644379107 /nfs/dbraw/zinc/37/91/07/644379107.db2.gz BRVBSCZCUHXGDJ-HTQZYQBOSA-N 1 3 242.285 1.263 20 0 BDADHO CSC[C@@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923374197 644390059 /nfs/dbraw/zinc/39/00/59/644390059.db2.gz SBAXAHLMHUEANV-RYUDHWBXSA-N 1 3 246.420 1.208 20 0 BDADHO C[C@@]12COC[C@@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923387252 644399913 /nfs/dbraw/zinc/39/99/13/644399913.db2.gz CFQUHOJBGAPJHY-WCQYABFASA-N 1 3 224.348 1.097 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923415876 644408539 /nfs/dbraw/zinc/40/85/39/644408539.db2.gz RZQBWLDUNOYSMY-WCQYABFASA-N 1 3 228.380 1.454 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923415876 644408543 /nfs/dbraw/zinc/40/85/43/644408543.db2.gz RZQBWLDUNOYSMY-WCQYABFASA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)CC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923419789 644425532 /nfs/dbraw/zinc/42/55/32/644425532.db2.gz CMGCPZQINJUESW-SRVKXCTJSA-N 1 3 228.380 1.499 20 0 BDADHO CC(C)CC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419789 644425534 /nfs/dbraw/zinc/42/55/34/644425534.db2.gz CMGCPZQINJUESW-SRVKXCTJSA-N 1 3 228.380 1.499 20 0 BDADHO c1ccc([C@H]2C[C@@H]2N2CCNCC[NH2+]CC2)cc1 ZINC000923459738 644435750 /nfs/dbraw/zinc/43/57/50/644435750.db2.gz DXKULICPHFKDMR-CABCVRRESA-N 1 3 245.370 1.037 20 0 BDADHO C[C@H]1CN(Cc2ccns2)CC[C@@H]1C[NH3+] ZINC000923492135 644467747 /nfs/dbraw/zinc/46/77/47/644467747.db2.gz WGEQKMQAHYPIBV-VHSXEESVSA-N 1 3 225.361 1.560 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923531095 644486125 /nfs/dbraw/zinc/48/61/25/644486125.db2.gz PBENCFQMKDWYFP-IHRRRGAJSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923531095 644486131 /nfs/dbraw/zinc/48/61/31/644486131.db2.gz PBENCFQMKDWYFP-IHRRRGAJSA-N 1 3 238.375 1.629 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000088103061 644510531 /nfs/dbraw/zinc/51/05/31/644510531.db2.gz MNQGGGVWZRCXOS-ZDUSSCGKSA-N 1 3 246.354 1.445 20 0 BDADHO CCOCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250385561 644756662 /nfs/dbraw/zinc/75/66/62/644756662.db2.gz KQPRSWXKQFCHCR-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO OCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303621895 644834177 /nfs/dbraw/zinc/83/41/77/644834177.db2.gz ZVPKSUGLWKPKQE-CYBMUJFWSA-N 1 3 226.364 1.225 20 0 BDADHO CCOCCOCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000927088815 645546324 /nfs/dbraw/zinc/54/63/24/645546324.db2.gz WKNNTGIZGDDYPY-QWHCGFSZSA-N 1 3 244.379 1.112 20 0 BDADHO CCOCCOCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000927088815 645546330 /nfs/dbraw/zinc/54/63/30/645546330.db2.gz WKNNTGIZGDDYPY-QWHCGFSZSA-N 1 3 244.379 1.112 20 0 BDADHO CCN1CCC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925494013 645726952 /nfs/dbraw/zinc/72/69/52/645726952.db2.gz NHLUXYQMENSXIO-OLZOCXBDSA-N 1 3 237.391 1.345 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCCN[C@H]1C ZINC000925482923 645909500 /nfs/dbraw/zinc/90/95/00/645909500.db2.gz OWYPPQFXHQHKFM-AEGPPILISA-N 1 3 248.370 1.759 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723627470 711526870 /nfs/dbraw/zinc/52/68/70/711526870.db2.gz DDAMORYRZBKPML-FVCCEPFGSA-N 1 3 226.364 1.376 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924704683 646092453 /nfs/dbraw/zinc/09/24/53/646092453.db2.gz GZZFSEIIXIKTGG-KGLIPLIRSA-N 1 3 247.386 1.944 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000924704682 646093990 /nfs/dbraw/zinc/09/39/90/646093990.db2.gz GZZFSEIIXIKTGG-KBPBESRZSA-N 1 3 247.386 1.944 20 0 BDADHO Cn1ccc(CNC2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c1 ZINC000925213079 646211203 /nfs/dbraw/zinc/21/12/03/646211203.db2.gz WSSSQTGISDXIDH-PBWFPOADSA-N 1 3 233.359 1.455 20 0 BDADHO Cn1ccc(CNC2[C@@H]3CC[C@H]2C[N@H+](C)C3)c1 ZINC000925213079 646211206 /nfs/dbraw/zinc/21/12/06/646211206.db2.gz WSSSQTGISDXIDH-PBWFPOADSA-N 1 3 233.359 1.455 20 0 BDADHO COC[C@@H](C)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925480397 646293053 /nfs/dbraw/zinc/29/30/53/646293053.db2.gz JZLGNGVJLRKDCG-RNJOBUHISA-N 1 3 240.391 1.635 20 0 BDADHO C[C@H]([NH3+])[C@H](N[C@@H]1CCN(C)C1)c1ccccc1 ZINC000925488932 646299516 /nfs/dbraw/zinc/29/95/16/646299516.db2.gz WJRCIFVWELWFGT-YUTCNCBUSA-N 1 3 233.359 1.369 20 0 BDADHO CC[C@H](CO)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000929790537 646322672 /nfs/dbraw/zinc/32/26/72/646322672.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](CO)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000929790537 646322677 /nfs/dbraw/zinc/32/26/77/646322677.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](CO)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000929790537 646322684 /nfs/dbraw/zinc/32/26/84/646322684.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](CO)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000929790537 646322688 /nfs/dbraw/zinc/32/26/88/646322688.db2.gz KIUZDOPGOCBZRU-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CCOCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925564079 646338591 /nfs/dbraw/zinc/33/85/91/646338591.db2.gz XJMODRGMZZQBLK-ZIAGYGMSSA-N 1 3 240.391 1.781 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000929842872 646355584 /nfs/dbraw/zinc/35/55/84/646355584.db2.gz DYPYUUZPRMEATO-GXTWGEPZSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CCOC3CC3)CC[C@H]21 ZINC000929842872 646355591 /nfs/dbraw/zinc/35/55/91/646355591.db2.gz DYPYUUZPRMEATO-GXTWGEPZSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCCOC1)[NH2+]2 ZINC000925667702 646398357 /nfs/dbraw/zinc/39/83/57/646398357.db2.gz DYCPQVFOXOROTN-JZRPKSSGSA-N 1 3 224.348 1.284 20 0 BDADHO FCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925674878 646405720 /nfs/dbraw/zinc/40/57/20/646405720.db2.gz DJQWSWCGNIPHDT-SNVBAGLBSA-N 1 3 200.301 1.610 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC1(C)C)[NH2+]2 ZINC000925685279 646410734 /nfs/dbraw/zinc/41/07/34/646410734.db2.gz HFLDCHKWMAUOHK-HGCLJGPKSA-N 1 3 208.349 1.904 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCC[C@H]1O ZINC000925686986 646411837 /nfs/dbraw/zinc/41/18/37/646411837.db2.gz CZYHGRIWPOWXIY-YVECIDJPSA-N 1 3 226.364 1.268 20 0 BDADHO CC[C@H](N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686861 646412825 /nfs/dbraw/zinc/41/28/25/646412825.db2.gz YRMQCLRMMOUQRV-VWYCJHECSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC23CCC3)[C@H](C)O1 ZINC000925696725 646421424 /nfs/dbraw/zinc/42/14/24/646421424.db2.gz LKECLMSNAGFLQB-YVECIDJPSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCNC23CCC3)[C@@H](C)O1 ZINC000925696719 646421518 /nfs/dbraw/zinc/42/15/18/646421518.db2.gz LKECLMSNAGFLQB-LPWJVIDDSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H](COCC1CC1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925703341 646427249 /nfs/dbraw/zinc/42/72/49/646427249.db2.gz TWKQQWLZSNJJOB-KGYLQXTDSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925703341 646427254 /nfs/dbraw/zinc/42/72/54/646427254.db2.gz TWKQQWLZSNJJOB-KGYLQXTDSA-N 1 3 238.375 1.661 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925712094 646437440 /nfs/dbraw/zinc/43/74/40/646437440.db2.gz OSFXFJSYYKNPEP-IACUBPJLSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925712094 646437443 /nfs/dbraw/zinc/43/74/43/646437443.db2.gz OSFXFJSYYKNPEP-IACUBPJLSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H](NCc1cc(N)ccn1)[C@@H]1CCCC[NH2+]1 ZINC000925767397 646468229 /nfs/dbraw/zinc/46/82/29/646468229.db2.gz ODZUDMPBMFSUGY-KGLIPLIRSA-N 1 3 248.374 1.674 20 0 BDADHO CC[C@H](NCc1cc(N)ccn1)[C@@H]1CCC[NH2+]1 ZINC000925767432 646469538 /nfs/dbraw/zinc/46/95/38/646469538.db2.gz OQQRBUDOPSITSU-STQMWFEESA-N 1 3 234.347 1.284 20 0 BDADHO Cc1cc([C@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000925803626 646488599 /nfs/dbraw/zinc/48/85/99/646488599.db2.gz SDXYMVOAIRPTOK-ADEWGFFLSA-N 1 3 237.347 1.879 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1(O)CCC1 ZINC000926378286 646630063 /nfs/dbraw/zinc/63/00/63/646630063.db2.gz HYVKQOLVOKCOOC-FUNVUKJBSA-N 1 3 238.375 1.221 20 0 BDADHO Cc1cc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)no1 ZINC000723881918 711543081 /nfs/dbraw/zinc/54/30/81/711543081.db2.gz DOCAKMNQWICDLL-MWLCHTKSSA-N 1 3 223.320 1.400 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088428 711560163 /nfs/dbraw/zinc/56/01/63/711560163.db2.gz MXSXGOBWNURDTD-IVZWLZJFSA-N 1 3 208.309 1.188 20 0 BDADHO CC1(C)CO[C@H](CN2CC[C@H](C[NH3+])C2)C1 ZINC000708341332 712188735 /nfs/dbraw/zinc/18/87/35/712188735.db2.gz RTXCRTWXVFGUII-MNOVXSKESA-N 1 3 212.337 1.082 20 0 BDADHO C[C@]1(CN2CC[C@H](CF)C2)CC[NH2+]C1 ZINC000711519706 712308666 /nfs/dbraw/zinc/30/86/66/712308666.db2.gz NAEZQEBNVKTJPY-MNOVXSKESA-N 1 3 200.301 1.277 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000712557925 712445345 /nfs/dbraw/zinc/44/53/45/712445345.db2.gz OWGAEQBBDADNTN-FRRDWIJNSA-N 1 3 225.380 1.153 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCOC1CC1 ZINC000714972382 712502741 /nfs/dbraw/zinc/50/27/41/712502741.db2.gz KSFGOQHIQYPOIP-LLVKDONJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000724234207 710738386 /nfs/dbraw/zinc/73/83/86/710738386.db2.gz VTNFMTNMFMPIKP-WUHRBBMRSA-N 1 3 228.380 1.872 20 0 BDADHO CC(C)OCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396612689 711361827 /nfs/dbraw/zinc/36/18/27/711361827.db2.gz FJBHWBQWPYKYOA-NWDGAFQWSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCn1ccnc1 ZINC000396723701 711369191 /nfs/dbraw/zinc/36/91/91/711369191.db2.gz UXWYUYQHLGPYFC-RYUDHWBXSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000398595529 711413091 /nfs/dbraw/zinc/41/30/91/711413091.db2.gz BTHYXWXNUIWWHG-FIQHERPVSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@H]1CCC[NH2+][C@H]1C ZINC000398595528 711413767 /nfs/dbraw/zinc/41/37/67/711413767.db2.gz BTHYXWXNUIWWHG-BJDJZHNGSA-N 1 3 214.353 1.124 20 0 BDADHO CC[C@@H]1C[C@H]1CN1CCCO[C@@H](C[NH3+])C1 ZINC000723102825 710725925 /nfs/dbraw/zinc/72/59/25/710725925.db2.gz NHVOPMQJZQCQSQ-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO OCc1c[nH+]ccc1N1CCN(C2CCC2)CC1 ZINC000386253971 711500921 /nfs/dbraw/zinc/50/09/21/711500921.db2.gz TVQBJTAAXNFODA-UHFFFAOYSA-N 1 3 247.342 1.248 20 0 BDADHO C[C@@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCCCN1 ZINC000313309634 711514686 /nfs/dbraw/zinc/51/46/86/711514686.db2.gz VMFFHLQLOKXFQG-YPMHNXCESA-N 1 3 236.363 1.083 20 0 BDADHO C[C@@H]1CN(Cc2nccn2C2CC2)C[C@H]1CC[NH3+] ZINC000723916344 711544823 /nfs/dbraw/zinc/54/48/23/711544823.db2.gz UNUYJAHYSZFGRO-VXGBXAGGSA-N 1 3 248.374 1.635 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088429 711560238 /nfs/dbraw/zinc/56/02/38/711560238.db2.gz MXSXGOBWNURDTD-LPEHRKFASA-N 1 3 208.309 1.188 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@]12C[C@H]1CCC2 ZINC000925879800 711762157 /nfs/dbraw/zinc/76/21/57/711762157.db2.gz CKWCUEQGZDHIJC-LOWDOPEQSA-N 1 3 208.349 1.907 20 0 BDADHO CSC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000229085112 711837494 /nfs/dbraw/zinc/83/74/94/711837494.db2.gz FCWOXVWPHBUIIZ-ZJUUUORDSA-N 1 3 216.394 1.845 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H]([C@@H](C)N)C1)C(C)C ZINC000721910914 711917363 /nfs/dbraw/zinc/91/73/63/711917363.db2.gz GPFONMATMDQTCT-AGIUHOORSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H]([C@@H](C)N)C1)C(C)C ZINC000721910914 711917366 /nfs/dbraw/zinc/91/73/66/711917366.db2.gz GPFONMATMDQTCT-AGIUHOORSA-N 1 3 228.380 1.574 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)C1 ZINC000721959053 711947952 /nfs/dbraw/zinc/94/79/52/711947952.db2.gz DVWSGUXTMKOSGO-BJJPWKGXSA-N 1 3 240.391 1.717 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)C1 ZINC000721959053 711947953 /nfs/dbraw/zinc/94/79/53/711947953.db2.gz DVWSGUXTMKOSGO-BJJPWKGXSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H](CCN[C@H]1C[C@@H](C)O[C@H]1C)[NH+](C)C ZINC000700468963 711993448 /nfs/dbraw/zinc/99/34/48/711993448.db2.gz IUQJKAFLXGQRMC-USZNOCQGSA-N 1 3 214.353 1.482 20 0 BDADHO COc1cncc(CNCC2=CC[N@H+](C)CC2)c1 ZINC000700058097 711984973 /nfs/dbraw/zinc/98/49/73/711984973.db2.gz HQMZXHKEBSRZJO-UHFFFAOYSA-N 1 3 247.342 1.442 20 0 BDADHO COc1cncc(CNCC2=CC[N@@H+](C)CC2)c1 ZINC000700058097 711984974 /nfs/dbraw/zinc/98/49/74/711984974.db2.gz HQMZXHKEBSRZJO-UHFFFAOYSA-N 1 3 247.342 1.442 20 0 BDADHO CC[C@H]1C[N@H+](CC2CC(OC)C2)CC[C@@H]1N ZINC000703909242 712094462 /nfs/dbraw/zinc/09/44/62/712094462.db2.gz YLSAMDBBCMMBOZ-MVKMKZAISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1C[N@@H+](CC2CC(OC)C2)CC[C@@H]1N ZINC000703909242 712094465 /nfs/dbraw/zinc/09/44/65/712094465.db2.gz YLSAMDBBCMMBOZ-MVKMKZAISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1CN(CC2CC(OC)C2)CC[C@@H]1[NH3+] ZINC000703909242 712094468 /nfs/dbraw/zinc/09/44/68/712094468.db2.gz YLSAMDBBCMMBOZ-MVKMKZAISA-N 1 3 226.364 1.471 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000710727729 712255212 /nfs/dbraw/zinc/25/52/12/712255212.db2.gz OYFNWXMBSCAGOF-DDHJBXDOSA-N 1 3 224.348 1.149 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCC(C)(C)CO1 ZINC000711251114 712290521 /nfs/dbraw/zinc/29/05/21/712290521.db2.gz PRMLBXQXDRAWIM-IJLUTSLNSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711251114 712290523 /nfs/dbraw/zinc/29/05/23/712290523.db2.gz PRMLBXQXDRAWIM-IJLUTSLNSA-N 1 3 240.391 1.907 20 0 BDADHO COC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000711285808 712292477 /nfs/dbraw/zinc/29/24/77/712292477.db2.gz IIZLWZOSKIRRQW-BFHYXJOUSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)OCC[N@@H+]1CCNCCC1(C)C ZINC000712552260 712444736 /nfs/dbraw/zinc/44/47/36/712444736.db2.gz XUKZMXWHDPOYAL-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)OCC[N@H+]1CCNCCC1(C)C ZINC000712552260 712444738 /nfs/dbraw/zinc/44/47/38/712444738.db2.gz XUKZMXWHDPOYAL-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CCCN1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000712554354 712444752 /nfs/dbraw/zinc/44/47/52/712444752.db2.gz BKKJLJZWMSKLDC-CYBMUJFWSA-N 1 3 225.380 1.155 20 0 BDADHO CC1(C)CO[C@H](C[N@@H+]2CCNCCC2(C)C)C1 ZINC000712577207 712448322 /nfs/dbraw/zinc/44/83/22/712448322.db2.gz NWFUPXGKFNVIEV-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)CO[C@H](C[N@H+]2CCNCCC2(C)C)C1 ZINC000712577207 712448323 /nfs/dbraw/zinc/44/83/23/712448323.db2.gz NWFUPXGKFNVIEV-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCC(C)(C)CO2)C1 ZINC000713584354 712466343 /nfs/dbraw/zinc/46/63/43/712466343.db2.gz DQEYHUSJULYXJT-RWMBFGLXSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CC13CC3)[NH2+]2 ZINC000715261519 712515014 /nfs/dbraw/zinc/51/50/14/712515014.db2.gz NSZOAQMJSOMFEC-ROHXPCBUSA-N 1 3 206.333 1.658 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000715511674 712524654 /nfs/dbraw/zinc/52/46/54/712524654.db2.gz STZVTGUQECZCDC-AHLTXXRQSA-N 1 3 238.375 1.613 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715511677 712524674 /nfs/dbraw/zinc/52/46/74/712524674.db2.gz STZVTGUQECZCDC-ASEORRQLSA-N 1 3 238.375 1.613 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222950167 712670634 /nfs/dbraw/zinc/67/06/34/712670634.db2.gz OLFCCVGRNYYJCG-MDZLAQPJSA-N 1 3 248.374 1.657 20 0 BDADHO Cc1cc(CN2CCC(CC[NH3+])CC2)c(C)nn1 ZINC000720588297 712855280 /nfs/dbraw/zinc/85/52/80/712855280.db2.gz STDXZZJDFZGYBZ-UHFFFAOYSA-N 1 3 248.374 1.654 20 0 BDADHO C[C@@H]1C[C@@H]1CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720799395 712866264 /nfs/dbraw/zinc/86/62/64/712866264.db2.gz ZRDPBNKBVPGXMY-ZYUZMQFOSA-N 1 3 236.281 1.711 20 0 BDADHO CSC1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000709449030 960615786 /nfs/dbraw/zinc/61/57/86/960615786.db2.gz NLTMKUFCDZGYFI-QWRGUYRKSA-N 1 3 228.405 1.954 20 0 BDADHO CCC[NH2+]CCCNC(=O)C(C)(C)N(C)CC ZINC001161245159 964559926 /nfs/dbraw/zinc/55/99/26/964559926.db2.gz JRLLOVYXCRMXBK-UHFFFAOYSA-N 1 3 243.395 1.223 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc[nH]c2=O)CC1 ZINC001205094976 965734790 /nfs/dbraw/zinc/73/47/90/965734790.db2.gz SFKPFQKDQKRBKE-NSHDSACASA-N 1 3 221.304 1.100 20 0 BDADHO CC(=O)[C@H]1CCCN(CC(C)(C)C[NH+](C)C)C1 ZINC001207282289 968713478 /nfs/dbraw/zinc/71/34/78/968713478.db2.gz GNCPURWMNSEVGP-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1C[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@H]2C1 ZINC001207896184 968910287 /nfs/dbraw/zinc/91/02/87/968910287.db2.gz KYSONYZUGVKSNK-JHJVBQTASA-N 1 3 224.348 1.049 20 0 BDADHO CC[NH+]1CCC(CN2CC[C@@](F)(CO)C2)CC1 ZINC001208592050 969146507 /nfs/dbraw/zinc/14/65/07/969146507.db2.gz BWTQBRVPEAIREY-ZDUSSCGKSA-N 1 3 244.354 1.125 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCC[N@@H+](C)C2)CCCO1 ZINC001208605091 969159090 /nfs/dbraw/zinc/15/90/90/969159090.db2.gz YMZJTZUPPOWDEU-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO COCC[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209211468 969399972 /nfs/dbraw/zinc/39/99/72/969399972.db2.gz RBZGQIJGXBGFGO-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO COCC[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001209211468 969399976 /nfs/dbraw/zinc/39/99/76/969399976.db2.gz RBZGQIJGXBGFGO-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[N@@H+]1CCC[C@H](NCCc2nncs2)CC1 ZINC001254511084 969682375 /nfs/dbraw/zinc/68/23/75/969682375.db2.gz UYBBHMPIIMSWHY-JTQLQIEISA-N 1 3 240.376 1.155 20 0 BDADHO C[N@H+]1CCC[C@H](NCCc2nncs2)CC1 ZINC001254511084 969682378 /nfs/dbraw/zinc/68/23/78/969682378.db2.gz UYBBHMPIIMSWHY-JTQLQIEISA-N 1 3 240.376 1.155 20 0 BDADHO CN1CCC[C@H]([NH2+]CCc2nncs2)CC1 ZINC001254511084 969682392 /nfs/dbraw/zinc/68/23/92/969682392.db2.gz UYBBHMPIIMSWHY-JTQLQIEISA-N 1 3 240.376 1.155 20 0 BDADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCSC3)C[C@H]2C1 ZINC001255292674 970051826 /nfs/dbraw/zinc/05/18/26/970051826.db2.gz HULZVRPQVCRDOR-UPJWGTAASA-N 1 3 240.416 1.766 20 0 BDADHO [NH3+][C@H]1CCN(C[C@@H]2CC3CCC2CC3)C1 ZINC000400134199 970556112 /nfs/dbraw/zinc/55/61/12/970556112.db2.gz WNNQSYDYQQUPCO-TYUFSLCMSA-N 1 3 208.349 1.846 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H](O)CF ZINC001255954176 970562275 /nfs/dbraw/zinc/56/22/75/970562275.db2.gz ASLRQKVGPRGEBJ-QWRGUYRKSA-N 1 3 220.332 1.027 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@H](C)O ZINC001255940032 970570117 /nfs/dbraw/zinc/57/01/17/970570117.db2.gz LUNTWFFAGSAHKM-MNOVXSKESA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H](C)O ZINC001255940032 970570125 /nfs/dbraw/zinc/57/01/25/970570125.db2.gz LUNTWFFAGSAHKM-MNOVXSKESA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+](C)CC1COC1 ZINC001255965145 970601364 /nfs/dbraw/zinc/60/13/64/970601364.db2.gz YIRXATBGMHEWCE-GFCCVEGCSA-N 1 3 228.380 1.685 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+](C)CC1COC1 ZINC001255965145 970601379 /nfs/dbraw/zinc/60/13/79/970601379.db2.gz YIRXATBGMHEWCE-GFCCVEGCSA-N 1 3 228.380 1.685 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N(C)CC1COC1 ZINC001255965145 970601392 /nfs/dbraw/zinc/60/13/92/970601392.db2.gz YIRXATBGMHEWCE-GFCCVEGCSA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@@H+]1CC[C@@H](Nc2ccc(CN)nc2)C1 ZINC001173356914 975313937 /nfs/dbraw/zinc/31/39/37/975313937.db2.gz HJTXREHQFZARIX-GFCCVEGCSA-N 1 3 220.320 1.046 20 0 BDADHO CC[N@H+]1CC[C@@H](Nc2ccc(CN)nc2)C1 ZINC001173356914 975313944 /nfs/dbraw/zinc/31/39/44/975313944.db2.gz HJTXREHQFZARIX-GFCCVEGCSA-N 1 3 220.320 1.046 20 0 BDADHO CC[N@@H+]1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001173362978 975341332 /nfs/dbraw/zinc/34/13/32/975341332.db2.gz KMLCUASEAVKWSI-AWEZNQCLSA-N 1 3 237.391 1.108 20 0 BDADHO CC[N@H+]1CC[C@H](N2CCN(CC3CC3)CC2)C1 ZINC001173362978 975341333 /nfs/dbraw/zinc/34/13/33/975341333.db2.gz KMLCUASEAVKWSI-AWEZNQCLSA-N 1 3 237.391 1.108 20 0 BDADHO CCC(=O)CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277851995 978825910 /nfs/dbraw/zinc/82/59/10/978825910.db2.gz OBUJKMZAFGSKSH-TXEJJXNPSA-N 1 3 224.348 1.239 20 0 BDADHO CCC(=O)CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277851995 978825912 /nfs/dbraw/zinc/82/59/12/978825912.db2.gz OBUJKMZAFGSKSH-TXEJJXNPSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H](CC[N@@H+]1C[C@@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206454369 979121404 /nfs/dbraw/zinc/12/14/04/979121404.db2.gz DKNSNPCGUNRRFR-FRRDWIJNSA-N 1 3 242.407 1.700 20 0 BDADHO C[C@H](CC[N@H+]1C[C@@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206454369 979121407 /nfs/dbraw/zinc/12/14/07/979121407.db2.gz DKNSNPCGUNRRFR-FRRDWIJNSA-N 1 3 242.407 1.700 20 0 BDADHO CC1(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237384319 979881545 /nfs/dbraw/zinc/88/15/45/979881545.db2.gz VRNGSRHYNJOGMC-VXGBXAGGSA-N 1 3 224.348 1.097 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503906 980134368 /nfs/dbraw/zinc/13/43/68/980134368.db2.gz CZRLHFGNYIKQKD-GHMZBOCLSA-N 1 3 241.379 1.090 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001199842934 983025835 /nfs/dbraw/zinc/02/58/35/983025835.db2.gz JNRWPRJZKMAPQZ-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC001357475436 983728282 /nfs/dbraw/zinc/72/82/82/983728282.db2.gz XASRGYKTGZFBEM-GHMZBOCLSA-N 1 3 243.395 1.384 20 0 BDADHO CCN(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202528728 983869606 /nfs/dbraw/zinc/86/96/06/983869606.db2.gz FDFIXGLBZWVXCR-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172422315 974696678 /nfs/dbraw/zinc/69/66/78/974696678.db2.gz ZDSZDSCNJKUCLO-MJBXVCDLSA-N 1 3 240.391 1.685 20 0 BDADHO CCOCC[C@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172422315 974696681 /nfs/dbraw/zinc/69/66/81/974696681.db2.gz ZDSZDSCNJKUCLO-MJBXVCDLSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172442083 974800995 /nfs/dbraw/zinc/80/09/95/974800995.db2.gz RHIJNENBSCWHAU-RYUDHWBXSA-N 1 3 216.369 1.717 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172442083 974801000 /nfs/dbraw/zinc/80/10/00/974801000.db2.gz RHIJNENBSCWHAU-RYUDHWBXSA-N 1 3 216.369 1.717 20 0 BDADHO CCCC[C@@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587238 972982934 /nfs/dbraw/zinc/98/29/34/972982934.db2.gz WITBRLAOQYTDDT-IHRRRGAJSA-N 1 3 242.407 1.843 20 0 BDADHO CCCC[C@@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587238 972982950 /nfs/dbraw/zinc/98/29/50/972982950.db2.gz WITBRLAOQYTDDT-IHRRRGAJSA-N 1 3 242.407 1.843 20 0 BDADHO COC[C@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246601471 973016882 /nfs/dbraw/zinc/01/68/82/973016882.db2.gz VQHXLLIHXDEWBB-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO COC[C@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246601471 973016900 /nfs/dbraw/zinc/01/69/00/973016900.db2.gz VQHXLLIHXDEWBB-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246770000 973090663 /nfs/dbraw/zinc/09/06/63/973090663.db2.gz MCQSAYOBCKQKOL-WTPMCQDGSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CN1 ZINC001246770000 973090678 /nfs/dbraw/zinc/09/06/78/973090678.db2.gz MCQSAYOBCKQKOL-WTPMCQDGSA-N 1 3 212.312 1.559 20 0 BDADHO CCN(C[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000402708847 970839495 /nfs/dbraw/zinc/83/94/95/970839495.db2.gz RMBZBVLJEMFYJU-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO COC(C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)OC ZINC001256617576 970884301 /nfs/dbraw/zinc/88/43/01/970884301.db2.gz SHPTYTPGNVBSJB-YOGCLGLASA-N 1 3 242.363 1.210 20 0 BDADHO COC(=O)CC1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001256973996 971056413 /nfs/dbraw/zinc/05/64/13/971056413.db2.gz GBRIGHRCCGGCGN-CXQJBGSLSA-N 1 3 240.347 1.141 20 0 BDADHO CC(C)[NH+]1CCC(N2CC(C)(N(C)C)C2)CC1 ZINC001257217925 971135692 /nfs/dbraw/zinc/13/56/92/971135692.db2.gz PUNBZDXTCRHCJP-UHFFFAOYSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)O[C@@H]1CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000404799530 971181317 /nfs/dbraw/zinc/18/13/17/971181317.db2.gz XZGIKMFOBHVGTN-HZSPNIEDSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000405212247 971209216 /nfs/dbraw/zinc/20/92/16/971209216.db2.gz IOOXAQYQRUNWGO-WISYIIOYSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)O1 ZINC000405212247 971209223 /nfs/dbraw/zinc/20/92/23/971209223.db2.gz IOOXAQYQRUNWGO-WISYIIOYSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203597 971209942 /nfs/dbraw/zinc/20/99/42/971209942.db2.gz CCJQYMPDPYDYBT-NAKRPEOUSA-N 1 3 212.337 1.005 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCc2ccco2)C12CCC2 ZINC000405259766 971221770 /nfs/dbraw/zinc/22/17/70/971221770.db2.gz IIIFNZMLTFNVLP-RYUDHWBXSA-N 1 3 220.316 1.682 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCc2ccncc2)C12CCC2 ZINC000405271670 971226271 /nfs/dbraw/zinc/22/62/71/971226271.db2.gz VBLDIHUDWPKWBG-CHWSQXEVSA-N 1 3 231.343 1.484 20 0 BDADHO CC(C)SCC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405313018 971230193 /nfs/dbraw/zinc/23/01/93/971230193.db2.gz PULOIZGVCFUOBG-MNOVXSKESA-N 1 3 228.405 1.988 20 0 BDADHO CC(C)SCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313018 971230196 /nfs/dbraw/zinc/23/01/96/971230196.db2.gz PULOIZGVCFUOBG-MNOVXSKESA-N 1 3 228.405 1.988 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)CS1 ZINC000405340842 971236037 /nfs/dbraw/zinc/23/60/37/971236037.db2.gz CQESVXYMOQMUQZ-YTWAJWBKSA-N 1 3 226.389 1.740 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCSC2)C12CCC2 ZINC000405329055 971238997 /nfs/dbraw/zinc/23/89/97/971238997.db2.gz VVGDBELJSZAWST-OPRDCNLKSA-N 1 3 212.362 1.351 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)CO1 ZINC000405322735 971239059 /nfs/dbraw/zinc/23/90/59/971239059.db2.gz VOWBEIGAYYOULV-YTWAJWBKSA-N 1 3 210.321 1.023 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCOC2CCCC2)C12CCC2 ZINC000405357502 971241607 /nfs/dbraw/zinc/24/16/07/971241607.db2.gz RUIYPIBOELIZNP-QWHCGFSZSA-N 1 3 238.375 1.805 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405378834 971251018 /nfs/dbraw/zinc/25/10/18/971251018.db2.gz CGSYAVGMFXXYSM-UTUOFQBUSA-N 1 3 226.364 1.397 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)C12CCC2 ZINC000405451320 971260792 /nfs/dbraw/zinc/26/07/92/971260792.db2.gz GQUZGEBJLIPHQK-IJLUTSLNSA-N 1 3 224.348 1.007 20 0 BDADHO CN(C)CC[NH+](CCN(C)C)C1CCCC1 ZINC001257352564 971267286 /nfs/dbraw/zinc/26/72/86/971267286.db2.gz AYAMLWCUBQLWJP-UHFFFAOYSA-N 1 3 227.396 1.354 20 0 BDADHO C[C@H]1[C@H](C)OC[C@H]1NCCC[NH+]1CCCCC1 ZINC000405551410 971270808 /nfs/dbraw/zinc/27/08/08/971270808.db2.gz SFKZOHJLFBNUFO-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C)CN1CCCC1 ZINC000405565416 971274739 /nfs/dbraw/zinc/27/47/39/971274739.db2.gz ZZJYHBNKSIYQSL-ZOBORPQBSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC000405565416 971274743 /nfs/dbraw/zinc/27/47/43/971274743.db2.gz ZZJYHBNKSIYQSL-ZOBORPQBSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000405693548 971291719 /nfs/dbraw/zinc/29/17/19/971291719.db2.gz WZSOTOSJLIHNBO-BJJPWKGXSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000405693548 971291726 /nfs/dbraw/zinc/29/17/26/971291726.db2.gz WZSOTOSJLIHNBO-BJJPWKGXSA-N 1 3 238.375 1.626 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)C1 ZINC000405694482 971293590 /nfs/dbraw/zinc/29/35/90/971293590.db2.gz XPCINSWCSVVHGF-FDYHWXHSSA-N 1 3 226.364 1.341 20 0 BDADHO CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001257381150 971294992 /nfs/dbraw/zinc/29/49/92/971294992.db2.gz JCEIZUXDCBSVKJ-VXGBXAGGSA-N 1 3 244.379 1.683 20 0 BDADHO CCCCOC(=O)CC[C@@H](C)NC[C@H](C)C[NH3+] ZINC001257381150 971294996 /nfs/dbraw/zinc/29/49/96/971294996.db2.gz JCEIZUXDCBSVKJ-VXGBXAGGSA-N 1 3 244.379 1.683 20 0 BDADHO CC[NH+](CC)CCO[C@H]1CN2CCC1CC2 ZINC001224927259 974076245 /nfs/dbraw/zinc/07/62/45/974076245.db2.gz GOCQQGHJQOUGAM-ZDUSSCGKSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1OC[C@H]1COC(C)(C)N1 ZINC001217789680 971407389 /nfs/dbraw/zinc/40/73/89/971407389.db2.gz QCMCNUJRWMTNQR-GRYCIOLGSA-N 1 3 242.363 1.116 20 0 BDADHO CC(C)[N@H+](CCCN)[C@@H]1CCCSC1 ZINC001257657410 971459107 /nfs/dbraw/zinc/45/91/07/971459107.db2.gz FFMSXEVJOLTMEH-LLVKDONJSA-N 1 3 216.394 1.941 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@@H]1CCCSC1 ZINC001257657410 971459116 /nfs/dbraw/zinc/45/91/16/971459116.db2.gz FFMSXEVJOLTMEH-LLVKDONJSA-N 1 3 216.394 1.941 20 0 BDADHO CN(C)C1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257668284 971470167 /nfs/dbraw/zinc/47/01/67/971470167.db2.gz OZBNAFZOEZNKFC-GFCCVEGCSA-N 1 3 228.405 1.908 20 0 BDADHO CN(C)C1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257668285 971470830 /nfs/dbraw/zinc/47/08/30/971470830.db2.gz OZBNAFZOEZNKFC-LBPRGKRZSA-N 1 3 228.405 1.908 20 0 BDADHO CC(C)C[NH+]1CCC(n2nccc2CN)CC1 ZINC001258001115 971552809 /nfs/dbraw/zinc/55/28/09/971552809.db2.gz CHCHRNDKBCBUEK-UHFFFAOYSA-N 1 3 236.363 1.635 20 0 BDADHO CC(C)C[NH+]1CCC(NCC2(O)CC2)CC1 ZINC001258001296 971553181 /nfs/dbraw/zinc/55/31/81/971553181.db2.gz JHBXMODMVBVXBV-UHFFFAOYSA-N 1 3 226.364 1.221 20 0 BDADHO [NH3+]Cc1cccc(O[C@@H]2CCNC[C@@H]2F)c1 ZINC001218073682 971594211 /nfs/dbraw/zinc/59/42/11/971594211.db2.gz VQFSXQWQRGTADM-NWDGAFQWSA-N 1 3 224.279 1.224 20 0 BDADHO CO[C@H]1CCC[C@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246539276 972536067 /nfs/dbraw/zinc/53/60/67/972536067.db2.gz GTKFGRFGRNNATL-RNJOBUHISA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H]1CCC[C@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246539276 972536088 /nfs/dbraw/zinc/53/60/88/972536088.db2.gz GTKFGRFGRNNATL-RNJOBUHISA-N 1 3 226.364 1.471 20 0 BDADHO Cc1ccc(F)cc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218809777 971943883 /nfs/dbraw/zinc/94/38/83/971943883.db2.gz QCVHKUYKNFAQOY-SNVBAGLBSA-N 1 3 239.294 1.139 20 0 BDADHO Cn1cnc2ccc(N[C@H](N)CCC[NH3+])cc21 ZINC001170899739 972062749 /nfs/dbraw/zinc/06/27/49/972062749.db2.gz MBRJNXRYIHLHRF-LBPRGKRZSA-N 1 3 233.319 1.009 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)NC(=O)CC2 ZINC001170900572 972065143 /nfs/dbraw/zinc/06/51/43/972065143.db2.gz WMPDCAUKVDIKDF-LBPRGKRZSA-N 1 3 248.330 1.007 20 0 BDADHO N[C@H](CCC[NH3+])Nc1cccc2c1CCCO2 ZINC001170902061 972074707 /nfs/dbraw/zinc/07/47/07/972074707.db2.gz ANLXKJZIOPXNPL-ZDUSSCGKSA-N 1 3 235.331 1.447 20 0 BDADHO CCSC[C@H](C)NCC1([NH3+])CCCC1 ZINC001246075667 972132610 /nfs/dbraw/zinc/13/26/10/972132610.db2.gz MHICDIRUOQDTDJ-JTQLQIEISA-N 1 3 216.394 1.989 20 0 BDADHO C[C@H](N)c1nccn1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246078827 972134317 /nfs/dbraw/zinc/13/43/17/972134317.db2.gz BIGKSZWEHZGTTB-KXUCPTDWSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]1C[NH2+]CC[C@@H]1C ZINC001246108600 972173748 /nfs/dbraw/zinc/17/37/48/972173748.db2.gz CNXWMXYSVDHHTH-BFHYXJOUSA-N 1 3 247.386 1.848 20 0 BDADHO CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220240889 972185603 /nfs/dbraw/zinc/18/56/03/972185603.db2.gz QLWWHXMIOWVZQI-TUAOUCFPSA-N 1 3 243.395 1.384 20 0 BDADHO CCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220235027 972190829 /nfs/dbraw/zinc/19/08/29/972190829.db2.gz WXFIEMMMHFKYOH-NSHDSACASA-N 1 3 229.368 1.008 20 0 BDADHO CC1(C)CC[C@@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246133508 972190865 /nfs/dbraw/zinc/19/08/65/972190865.db2.gz OCPIDJTZQMYZRG-MNOVXSKESA-N 1 3 208.349 1.907 20 0 BDADHO COC(=O)CCCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246199841 972216448 /nfs/dbraw/zinc/21/64/48/972216448.db2.gz LKUOWBQVGLUPBA-VXGBXAGGSA-N 1 3 242.363 1.450 20 0 BDADHO CN1CCC[C@@H](C[NH+]2CC3(C2)CCCOC3)C1 ZINC001208608415 957093454 /nfs/dbraw/zinc/09/34/54/957093454.db2.gz SJKCPOXKNDUBOR-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO COC1CC(C[NH2+][C@H]2CCN[C@@H](C)C2)C1 ZINC000705481736 957267241 /nfs/dbraw/zinc/26/72/41/957267241.db2.gz KRQZONJTCUDQFD-VOBJUBJWSA-N 1 3 212.337 1.142 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1cccc(OC)c1 ZINC001246313710 972274989 /nfs/dbraw/zinc/27/49/89/972274989.db2.gz KKIKGDMNJCXTIF-AAEUAGOBSA-N 1 3 236.359 1.953 20 0 BDADHO [NH3+]Cc1cnc2c(ccn2-c2ccncc2)c1 ZINC001167301614 957699718 /nfs/dbraw/zinc/69/97/18/957699718.db2.gz OZDJWNADOFCOST-UHFFFAOYSA-N 1 3 224.267 1.879 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCN1 ZINC001246466533 972340410 /nfs/dbraw/zinc/34/04/10/972340410.db2.gz QUYNWLFFLMWFTM-QNWHQSFQSA-N 1 3 226.364 1.268 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000693398951 958362421 /nfs/dbraw/zinc/36/24/21/958362421.db2.gz QXDMHZUSDLMQCO-WISYIIOYSA-N 1 3 244.329 1.819 20 0 BDADHO C[C@@H]1CC[C@H](NCCCCCCO)C[NH2+]1 ZINC000399038307 958489353 /nfs/dbraw/zinc/48/93/53/958489353.db2.gz PZKOWLSIMPCCAP-NEPJUHHUSA-N 1 3 214.353 1.269 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCN1 ZINC000707613290 958626606 /nfs/dbraw/zinc/62/66/06/958626606.db2.gz SEYXTVPMJVDDCI-UPJWGTAASA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CCOC3)C2)CCN1 ZINC000707613290 958626614 /nfs/dbraw/zinc/62/66/14/958626614.db2.gz SEYXTVPMJVDDCI-UPJWGTAASA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1CC[C@H](O)CN1CC(C)(C)C[NH+](C)C ZINC001207276106 958845072 /nfs/dbraw/zinc/84/50/72/958845072.db2.gz UKXJCMZFDRVJMC-NEPJUHHUSA-N 1 3 228.380 1.419 20 0 BDADHO C[C@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@]1(C)O ZINC001207276452 958849768 /nfs/dbraw/zinc/84/97/68/958849768.db2.gz WWSPKQUPOVIIOX-JSGCOSHPSA-N 1 3 242.407 1.667 20 0 BDADHO CN(C)C1(C)CN(CC(C)(C)C[NH+](C)C)C1 ZINC001207283171 958873336 /nfs/dbraw/zinc/87/33/36/958873336.db2.gz VDZDTLLHFBSGHC-UHFFFAOYSA-N 1 3 227.396 1.210 20 0 BDADHO Nc1nc2cc(-n3cccc3C[NH3+])ccc2[nH]1 ZINC001167593606 958994418 /nfs/dbraw/zinc/99/44/18/958994418.db2.gz VPTVXQQUYOKTNK-UHFFFAOYSA-N 1 3 227.271 1.395 20 0 BDADHO CSC[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405327637 959439238 /nfs/dbraw/zinc/43/92/38/959439238.db2.gz VBSHWMXPAUYSSD-GUBZILKMSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)CO)CCN1 ZINC000709334051 959631765 /nfs/dbraw/zinc/63/17/65/959631765.db2.gz XBJYIOGQJOSSJM-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CCOC1CCC([N@@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC000708829301 959859984 /nfs/dbraw/zinc/85/99/84/959859984.db2.gz BPBITFYATNYISS-MRFVTOPCSA-N 1 3 240.391 1.861 20 0 BDADHO CCOC1CCC([N@H+]2C[C@H](C)[C@H](CN)C2)CC1 ZINC000708829301 959859989 /nfs/dbraw/zinc/85/99/89/959859989.db2.gz BPBITFYATNYISS-MRFVTOPCSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000694851565 960015210 /nfs/dbraw/zinc/01/52/10/960015210.db2.gz KOBDBRHKSAIDMH-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)[C@H](NC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925502621 960215904 /nfs/dbraw/zinc/21/59/04/960215904.db2.gz MJKVLGJZSSXZSG-FVCCEPFGSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)CCCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491928 972519186 /nfs/dbraw/zinc/51/91/86/972519186.db2.gz KLEATZPBGJFPRW-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H]1C[C@@H](O)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488512 960620216 /nfs/dbraw/zinc/62/02/16/960620216.db2.gz BHCTVOQGKBFTNM-UVYIHGJDSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@@H]1C[C@H]([N@H+](C)CCc2ccncc2)CCN1 ZINC000709477058 960622318 /nfs/dbraw/zinc/62/23/18/960622318.db2.gz ITQWROZXUQJWPA-TZMCWYRMSA-N 1 3 233.359 1.696 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+](C)CCc2ccncc2)CCN1 ZINC000709477058 960622329 /nfs/dbraw/zinc/62/23/29/960622329.db2.gz ITQWROZXUQJWPA-TZMCWYRMSA-N 1 3 233.359 1.696 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(O)CC2)CCN1 ZINC000709492795 960628572 /nfs/dbraw/zinc/62/85/72/960628572.db2.gz CPLOXASMGQDDCM-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(O)CC2)CCN1 ZINC000709492795 960628583 /nfs/dbraw/zinc/62/85/83/960628583.db2.gz CPLOXASMGQDDCM-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO c1cc2c(cccc2C[N@@H+]2CCCNCC2)[nH]1 ZINC001204654900 960990615 /nfs/dbraw/zinc/99/06/15/960990615.db2.gz CDKCQBNBGJNJNR-UHFFFAOYSA-N 1 3 229.327 1.963 20 0 BDADHO c1cc2c(cccc2C[N@H+]2CCCNCC2)[nH]1 ZINC001204654900 960990654 /nfs/dbraw/zinc/99/06/54/960990654.db2.gz CDKCQBNBGJNJNR-UHFFFAOYSA-N 1 3 229.327 1.963 20 0 BDADHO CN(CCC[NH+](C)C)Cc1cccc2nc[nH]c21 ZINC001142672702 961580765 /nfs/dbraw/zinc/58/07/65/961580765.db2.gz JUHUQMSRLUPHLE-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CCCN1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710718794 962447911 /nfs/dbraw/zinc/44/79/11/962447911.db2.gz NUVJJIHKNKKLHE-PBWFPOADSA-N 1 3 237.391 1.297 20 0 BDADHO CCC[N@H+](CCCN)[C@H]1CCO[C@@H](C)C1 ZINC001168074095 963608657 /nfs/dbraw/zinc/60/86/57/963608657.db2.gz HCVJKZVKMHEISD-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@@H+](CCCN)[C@H]1CCO[C@@H](C)C1 ZINC001168074095 963608662 /nfs/dbraw/zinc/60/86/62/963608662.db2.gz HCVJKZVKMHEISD-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO Cc1[nH+]c(NCC2CN(C)C2)cc2[nH]ccc21 ZINC001159220138 964024143 /nfs/dbraw/zinc/02/41/43/964024143.db2.gz RURRBCUKXOJUOC-UHFFFAOYSA-N 1 3 230.315 1.845 20 0 BDADHO COc1ccc2c(c1)C[C@@H](N(C)C[C@H](C)C[NH3+])C2 ZINC001168245324 964053139 /nfs/dbraw/zinc/05/31/39/964053139.db2.gz WRQWEKDRFNNRFM-RISCZKNCSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@H+](C)C[C@H](C)CN)C2 ZINC001168245324 964053151 /nfs/dbraw/zinc/05/31/51/964053151.db2.gz WRQWEKDRFNNRFM-RISCZKNCSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([N@@H+](C)C[C@H](C)CN)C2 ZINC001168245324 964053162 /nfs/dbraw/zinc/05/31/62/964053162.db2.gz WRQWEKDRFNNRFM-RISCZKNCSA-N 1 3 248.370 1.689 20 0 BDADHO C[C@@H](CCN[C@H]1CCCOC1)[NH+](C)C ZINC000697868666 964593607 /nfs/dbraw/zinc/59/36/07/964593607.db2.gz CKBDQJSXAUQJJZ-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CS[C@H](C)C1)N(C)C ZINC000697872917 964599956 /nfs/dbraw/zinc/59/99/56/964599956.db2.gz SETARAPDQSRLIY-MXWKQRLJSA-N 1 3 216.394 1.810 20 0 BDADHO C[C@H](CC[NH2+]CC[C@@H]1CCOC1)N(C)C ZINC000697874495 964599973 /nfs/dbraw/zinc/59/99/73/964599973.db2.gz ZHGVEVUPQNSRKQ-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO Cc1cc(C)nc(NC[C@H]2C[NH2+]CC(C)(C)O2)c1 ZINC001161951046 964833521 /nfs/dbraw/zinc/83/35/21/964833521.db2.gz UWIZVQVAKUVDSP-GFCCVEGCSA-N 1 3 249.358 1.877 20 0 BDADHO CO[C@H](C)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000167053847 964939897 /nfs/dbraw/zinc/93/98/97/964939897.db2.gz FTHPECVVFVDSKA-VXGBXAGGSA-N 1 3 214.353 1.341 20 0 BDADHO CO[C@H](C)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000167053847 964939899 /nfs/dbraw/zinc/93/98/99/964939899.db2.gz FTHPECVVFVDSKA-VXGBXAGGSA-N 1 3 214.353 1.341 20 0 BDADHO CC1C[NH+](C2CCN(CC3CC3)CC2)C1 ZINC001168372893 964974808 /nfs/dbraw/zinc/97/48/08/964974808.db2.gz NKUHCZKNHOMNJC-UHFFFAOYSA-N 1 3 208.349 1.813 20 0 BDADHO NCc1ccnn1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001162597030 965070353 /nfs/dbraw/zinc/07/03/53/965070353.db2.gz ATLFWIZFHMHRDS-LBPRGKRZSA-N 1 3 228.299 1.277 20 0 BDADHO CN(C)c1cccc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162791068 965173974 /nfs/dbraw/zinc/17/39/74/965173974.db2.gz YVGXQOQLLRQGFQ-IJLUTSLNSA-N 1 3 244.342 1.334 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168414298 965319913 /nfs/dbraw/zinc/31/99/13/965319913.db2.gz DOBFOGKIKFJUOT-QMTHXVAHSA-N 1 3 236.334 1.867 20 0 BDADHO [NH3+]C1(CNc2cc(N3CCCC3)ccn2)CCC1 ZINC001163326433 965334168 /nfs/dbraw/zinc/33/41/68/965334168.db2.gz BAVLREMUIIAVSG-UHFFFAOYSA-N 1 3 246.358 1.975 20 0 BDADHO [NH3+]Cc1ccnc(N[C@H]2CN3CCC2CC3)c1 ZINC001163380819 965383054 /nfs/dbraw/zinc/38/30/54/965383054.db2.gz GRRHWYSTBYBDAI-LBPRGKRZSA-N 1 3 232.331 1.046 20 0 BDADHO Cc1cc(CN)nn1-c1cccc2c1C[NH2+]CC2 ZINC001163985528 965677597 /nfs/dbraw/zinc/67/75/97/965677597.db2.gz WEAUSNMZSLGQBW-UHFFFAOYSA-N 1 3 242.326 1.285 20 0 BDADHO COc1ccccc1CCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205131191 965936266 /nfs/dbraw/zinc/93/62/66/965936266.db2.gz SSZZIBZUWIFGTI-GXTWGEPZSA-N 1 3 248.370 1.764 20 0 BDADHO C(C1CCCCC1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056281 965998307 /nfs/dbraw/zinc/99/83/07/965998307.db2.gz XKGOQCCUNUTHAG-CQSZACIVSA-N 1 3 237.391 1.204 20 0 BDADHO CS[C@@H](C)CC[N@@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166355 966022604 /nfs/dbraw/zinc/02/26/04/966022604.db2.gz RTDFIFDCDBFPCF-GARJFASQSA-N 1 3 214.378 1.551 20 0 BDADHO CS[C@@H](C)CC[N@H+]1CC[C@H]2C[C@@]2(N)C1 ZINC001235166355 966022619 /nfs/dbraw/zinc/02/26/19/966022619.db2.gz RTDFIFDCDBFPCF-GARJFASQSA-N 1 3 214.378 1.551 20 0 BDADHO COC1CCC(CN2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235976780 966187228 /nfs/dbraw/zinc/18/72/28/966187228.db2.gz CCNWZIROQHIWGS-FKZOYECMSA-N 1 3 238.375 1.615 20 0 BDADHO CN(Cc1cc2c[nH]ccc-2n1)C[C@@H]1CCC[NH2+]1 ZINC001236119608 966272815 /nfs/dbraw/zinc/27/28/15/966272815.db2.gz LASZZXCXCXFIID-LBPRGKRZSA-N 1 3 244.342 1.747 20 0 BDADHO CN(Cc1cc2cnccc2[nH]1)C[C@@H]1CCC[NH2+]1 ZINC001236119608 966272829 /nfs/dbraw/zinc/27/28/29/966272829.db2.gz LASZZXCXCXFIID-LBPRGKRZSA-N 1 3 244.342 1.747 20 0 BDADHO C[NH2+]Cc1cccc(Nc2cc(CN)ncn2)c1 ZINC001167033270 966527536 /nfs/dbraw/zinc/52/75/36/966527536.db2.gz RUWZVRNQPHHCDG-UHFFFAOYSA-N 1 3 243.314 1.398 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@@H](C2CC2)C1)C[NH+](C)C ZINC000691287907 966783450 /nfs/dbraw/zinc/78/34/50/966783450.db2.gz VIQMSBQNHIFMDV-KGYLQXTDSA-N 1 3 226.364 1.341 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715562823 967183688 /nfs/dbraw/zinc/18/36/88/967183688.db2.gz RIJOGBPEROQLCX-FRRDWIJNSA-N 1 3 228.380 1.466 20 0 BDADHO CCC[NH2+][C@H](C)CN(C)C(=O)CN(C)CCC ZINC001485947037 967316135 /nfs/dbraw/zinc/31/61/35/967316135.db2.gz GHDVSAKTGUWMIY-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC001205102595 967349843 /nfs/dbraw/zinc/34/98/43/967349843.db2.gz UADMURKERGXONH-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC001205102595 967349855 /nfs/dbraw/zinc/34/98/55/967349855.db2.gz UADMURKERGXONH-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@H]1CN(Cc2cc3c[nH]ccc-3n2)C[C@H]1C[NH3+] ZINC001205146168 967389143 /nfs/dbraw/zinc/38/91/43/967389143.db2.gz RGABJKCTGQBQLE-CMPLNLGQSA-N 1 3 244.342 1.590 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2ccncn2)CC1 ZINC001205559000 967695929 /nfs/dbraw/zinc/69/59/29/967695929.db2.gz MUZHXNRAMXHSMZ-LBPRGKRZSA-N 1 3 238.310 1.130 20 0 BDADHO C[C@@H]1CCN(Cc2cnsc2)CC[C@H]1C[NH3+] ZINC001205638414 967735793 /nfs/dbraw/zinc/73/57/93/967735793.db2.gz NTLDISVTCZPNNA-PWSUYJOCSA-N 1 3 239.388 1.950 20 0 BDADHO C[C@H]1[C@@H](CN)CCC[N@@H+]1CCCCCO ZINC001205902254 967880510 /nfs/dbraw/zinc/88/05/10/967880510.db2.gz JIMWHUVPZNFNAP-NWDGAFQWSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@H]1[C@@H](CN)CCC[N@H+]1CCCCCO ZINC001205902254 967880511 /nfs/dbraw/zinc/88/05/11/967880511.db2.gz JIMWHUVPZNFNAP-NWDGAFQWSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@H]1CN(Cc2cn(C)cn2)CCC[C@@H]1C[NH3+] ZINC001205995912 967946121 /nfs/dbraw/zinc/94/61/21/967946121.db2.gz RSGMDVACXMHTGB-NWDGAFQWSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@@H]1CN(Cc2ccn(C)n2)CCC[C@H]1C[NH3+] ZINC001205996159 967947265 /nfs/dbraw/zinc/94/72/65/967947265.db2.gz VOHAPINWGRKFRN-NEPJUHHUSA-N 1 3 236.363 1.227 20 0 BDADHO Cc1c[nH]c(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)n1 ZINC001206004183 967954902 /nfs/dbraw/zinc/95/49/02/967954902.db2.gz RALPPUSIXISPAO-JQWIXIFHSA-N 1 3 236.363 1.525 20 0 BDADHO Cc1cnccc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206165778 968104124 /nfs/dbraw/zinc/10/41/24/968104124.db2.gz OTWFLEBDWBFWTE-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cnccc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206165778 968104132 /nfs/dbraw/zinc/10/41/32/968104132.db2.gz OTWFLEBDWBFWTE-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1c[nH]c(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c1C ZINC001206175237 968108202 /nfs/dbraw/zinc/10/82/02/968108202.db2.gz SULSETAVUITVFI-VXGBXAGGSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1c[nH]c(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c1C ZINC001206175237 968108215 /nfs/dbraw/zinc/10/82/15/968108215.db2.gz SULSETAVUITVFI-VXGBXAGGSA-N 1 3 239.338 1.893 20 0 BDADHO Cn1ccc(CN2CCC[C@@](C)(C[NH3+])CC2)n1 ZINC001206304716 968211039 /nfs/dbraw/zinc/21/10/39/968211039.db2.gz ONTIVAZPQGLWHX-CYBMUJFWSA-N 1 3 236.363 1.371 20 0 BDADHO Cc1nc(N2CC[C@H]3C[C@@]3([NH3+])C2)cc2[nH]ccc21 ZINC001165328172 968281479 /nfs/dbraw/zinc/28/14/79/968281479.db2.gz SYVJGZSBVPGOPG-IINYFYTJSA-N 1 3 242.326 1.799 20 0 BDADHO COC(CN1CCCC[C@](C)(C[NH3+])C1)OC ZINC001206541295 968366652 /nfs/dbraw/zinc/36/66/52/968366652.db2.gz GIOQWMLAIKYTQH-GFCCVEGCSA-N 1 3 230.352 1.056 20 0 BDADHO CN1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001276496427 968491288 /nfs/dbraw/zinc/49/12/88/968491288.db2.gz BQKKBOJLNLZPKE-RDBSUJKOSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001276496427 968491294 /nfs/dbraw/zinc/49/12/94/968491294.db2.gz BQKKBOJLNLZPKE-RDBSUJKOSA-N 1 3 237.391 1.107 20 0 BDADHO CC(C)=Cc1cc(N2CC[NH2+]CC2)ccn1 ZINC001240635378 968594873 /nfs/dbraw/zinc/59/48/73/968594873.db2.gz NBPCEINQNLYCOH-UHFFFAOYSA-N 1 3 217.316 1.914 20 0 BDADHO CCCC[N@H+](C)CCCNCC(C)(C)O ZINC001252365211 968643605 /nfs/dbraw/zinc/64/36/05/968643605.db2.gz IKPZXCPAGDKGKP-UHFFFAOYSA-N 1 3 216.369 1.469 20 0 BDADHO CCCC[N@@H+](C)CCCNCC(C)(C)O ZINC001252365211 968643611 /nfs/dbraw/zinc/64/36/11/968643611.db2.gz IKPZXCPAGDKGKP-UHFFFAOYSA-N 1 3 216.369 1.469 20 0 BDADHO CCCCN(C)CCC[NH2+]CC(C)(C)O ZINC001252365211 968643596 /nfs/dbraw/zinc/64/35/96/968643596.db2.gz IKPZXCPAGDKGKP-UHFFFAOYSA-N 1 3 216.369 1.469 20 0 BDADHO CN(CC1COC1)CC(C)(C)C[NH+](C)C ZINC001207283455 968715482 /nfs/dbraw/zinc/71/54/82/968715482.db2.gz YPDLOTIYYQBACB-UHFFFAOYSA-N 1 3 214.353 1.152 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@]12CCOC2 ZINC001207283478 968718007 /nfs/dbraw/zinc/71/80/07/968718007.db2.gz YVZDLTUAAUAYRC-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH+]1CCC(CN2CCCC(=O)CC2)CC1 ZINC001207395779 968753261 /nfs/dbraw/zinc/75/32/61/968753261.db2.gz XIKXPIUROPDZRJ-UHFFFAOYSA-N 1 3 224.348 1.383 20 0 BDADHO CN1CCC(C[N@@H+]2CCCC(=O)CC2)CC1 ZINC001207395779 968753269 /nfs/dbraw/zinc/75/32/69/968753269.db2.gz XIKXPIUROPDZRJ-UHFFFAOYSA-N 1 3 224.348 1.383 20 0 BDADHO CN1CCC(C[N@H+]2CCCC(=O)CC2)CC1 ZINC001207395779 968753275 /nfs/dbraw/zinc/75/32/75/968753275.db2.gz XIKXPIUROPDZRJ-UHFFFAOYSA-N 1 3 224.348 1.383 20 0 BDADHO C[NH+]1CCC(CCN2CC3(COC3)C2)CC1 ZINC001207480274 968799523 /nfs/dbraw/zinc/79/95/23/968799523.db2.gz ZKKRHAPZJFYWMZ-UHFFFAOYSA-N 1 3 224.348 1.051 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207896186 968907064 /nfs/dbraw/zinc/90/70/64/968907064.db2.gz KYSONYZUGVKSNK-XQQFMLRXSA-N 1 3 224.348 1.049 20 0 BDADHO CCN1C[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207896186 968907067 /nfs/dbraw/zinc/90/70/67/968907067.db2.gz KYSONYZUGVKSNK-XQQFMLRXSA-N 1 3 224.348 1.049 20 0 BDADHO CN(C[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC001207950213 968943074 /nfs/dbraw/zinc/94/30/74/968943074.db2.gz PRYQPUUZBIEDQN-CYBMUJFWSA-N 1 3 226.364 1.582 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001207963338 968961644 /nfs/dbraw/zinc/96/16/44/968961644.db2.gz GCDCQUDYLGXUOL-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO CCN1C[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@@H]2C1 ZINC001207963338 968961648 /nfs/dbraw/zinc/96/16/48/968961648.db2.gz GCDCQUDYLGXUOL-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO C[NH+](C)CC1(CN2CCC[C@H](O)C2)CCCC1 ZINC001208182021 969113346 /nfs/dbraw/zinc/11/33/46/969113346.db2.gz KTDGDNRASIZTSN-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CCCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253384482 969147865 /nfs/dbraw/zinc/14/78/65/969147865.db2.gz VHSVRMYKPSNUEB-NSHDSACASA-N 1 3 216.369 1.515 20 0 BDADHO CCCCC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384482 969147870 /nfs/dbraw/zinc/14/78/70/969147870.db2.gz VHSVRMYKPSNUEB-NSHDSACASA-N 1 3 216.369 1.515 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCCO1 ZINC001208605091 969159085 /nfs/dbraw/zinc/15/90/85/969159085.db2.gz YMZJTZUPPOWDEU-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CCCCC23COC3)C1 ZINC001208608591 969165612 /nfs/dbraw/zinc/16/56/12/969165612.db2.gz QRWPNZHBBLJGJC-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CCCCC23COC3)C1 ZINC001208608591 969165615 /nfs/dbraw/zinc/16/56/15/969165615.db2.gz QRWPNZHBBLJGJC-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO CCN1C[C@@H]2C[NH+](C[C@H]3CCC=CO3)C[C@H]2C1 ZINC001208883886 969274193 /nfs/dbraw/zinc/27/41/93/969274193.db2.gz APNOEQOYDLJJCB-MGPQQGTHSA-N 1 3 236.359 1.563 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)C2 ZINC001169098089 969394026 /nfs/dbraw/zinc/39/40/26/969394026.db2.gz FRJNENFZNACVDS-XYYAHUGASA-N 1 3 247.342 1.502 20 0 BDADHO C[C@@H](N)c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078762 969395729 /nfs/dbraw/zinc/39/57/29/969395729.db2.gz GGHLZEQTCVLAKE-WISYIIOYSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@@H](N)c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078762 969395738 /nfs/dbraw/zinc/39/57/38/969395738.db2.gz GGHLZEQTCVLAKE-WISYIIOYSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078761 969397649 /nfs/dbraw/zinc/39/76/49/969397649.db2.gz GGHLZEQTCVLAKE-NNYUYHANSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1nccn1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078761 969397655 /nfs/dbraw/zinc/39/76/55/969397655.db2.gz GGHLZEQTCVLAKE-NNYUYHANSA-N 1 3 234.347 1.701 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ncc3c1CCNC3)C2 ZINC001169124865 969423577 /nfs/dbraw/zinc/42/35/77/969423577.db2.gz FSPQELAGOHUGBR-CLLJXQQHSA-N 1 3 246.358 1.327 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ncc3c1CCNC3)C2 ZINC001169124865 969423583 /nfs/dbraw/zinc/42/35/83/969423583.db2.gz FSPQELAGOHUGBR-CLLJXQQHSA-N 1 3 246.358 1.327 20 0 BDADHO C[C@@H](N)c1ccn(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC001169232358 969509202 /nfs/dbraw/zinc/50/92/02/969509202.db2.gz DTOBGUPJLFKCCB-VHSXEESVSA-N 1 3 230.315 1.912 20 0 BDADHO Nc1ccncc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001209728137 969578479 /nfs/dbraw/zinc/57/84/79/969578479.db2.gz DMFGERNOVFWRCZ-SMDDNHRTSA-N 1 3 247.342 1.495 20 0 BDADHO Nc1ccncc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001209728137 969578482 /nfs/dbraw/zinc/57/84/82/969578482.db2.gz DMFGERNOVFWRCZ-SMDDNHRTSA-N 1 3 247.342 1.495 20 0 BDADHO C[NH+]1CCC2(CN(Cc3cnccc3N)C2)CC1 ZINC001209737539 969599832 /nfs/dbraw/zinc/59/98/32/969599832.db2.gz NOARFBSBHZIBAW-UHFFFAOYSA-N 1 3 246.358 1.022 20 0 BDADHO C[NH+](C)CC1CCN(Cc2cnccc2N)CC1 ZINC001209734258 969600602 /nfs/dbraw/zinc/60/06/02/969600602.db2.gz PRTOOJOOCPGTKY-UHFFFAOYSA-N 1 3 248.374 1.268 20 0 BDADHO CN1CCC[C@H]([NH2+]Cc2ccc(F)nc2)CC1 ZINC001254508185 969681543 /nfs/dbraw/zinc/68/15/43/969681543.db2.gz HUXVVMYNOYEHKE-LBPRGKRZSA-N 1 3 237.322 1.795 20 0 BDADHO C[N@@H+]1CCC[C@@H](n2cnc3c2CNCC3)CC1 ZINC001254515824 969688974 /nfs/dbraw/zinc/68/89/74/969688974.db2.gz DQRFWFPVBIHSDU-LLVKDONJSA-N 1 3 234.347 1.186 20 0 BDADHO C[N@H+]1CCC[C@@H](n2cnc3c2CNCC3)CC1 ZINC001254515824 969688979 /nfs/dbraw/zinc/68/89/79/969688979.db2.gz DQRFWFPVBIHSDU-LLVKDONJSA-N 1 3 234.347 1.186 20 0 BDADHO CN1CC[C@H]([N@H+](C)[C@H]2CCCN(C)CC2)C1 ZINC001254522587 969711308 /nfs/dbraw/zinc/71/13/08/969711308.db2.gz HLAMNBCSPUGKEG-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO CN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C)CC2)C1 ZINC001254522587 969711319 /nfs/dbraw/zinc/71/13/19/969711319.db2.gz HLAMNBCSPUGKEG-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO [NH3+]CCc1cn(-c2ccncc2)c2cccnc12 ZINC001169700444 969823026 /nfs/dbraw/zinc/82/30/26/969823026.db2.gz OELVQUBGWWWCBS-UHFFFAOYSA-N 1 3 238.294 1.922 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C3CCSCC3)C[C@@H]2C1 ZINC001255088820 969923266 /nfs/dbraw/zinc/92/32/66/969923266.db2.gz FAMVCYJVJFGDTG-NEPJUHHUSA-N 1 3 240.416 1.766 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C3CCSCC3)C[C@@H]2C1 ZINC001255088820 969923270 /nfs/dbraw/zinc/92/32/70/969923270.db2.gz FAMVCYJVJFGDTG-NEPJUHHUSA-N 1 3 240.416 1.766 20 0 BDADHO CN1CCC[C@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001255493165 970249141 /nfs/dbraw/zinc/24/91/41/970249141.db2.gz UUBIHSORWNPRGV-RDBSUJKOSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@H](N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001255493165 970249154 /nfs/dbraw/zinc/24/91/54/970249154.db2.gz UUBIHSORWNPRGV-RDBSUJKOSA-N 1 3 237.391 1.249 20 0 BDADHO COC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001255582672 970388337 /nfs/dbraw/zinc/38/83/37/970388337.db2.gz XFQUNXTYKKYCPU-LLVKDONJSA-N 1 3 212.337 1.049 20 0 BDADHO CC(C)[N@H+](CCN)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255666159 970446901 /nfs/dbraw/zinc/44/69/01/970446901.db2.gz VQPPHUZBRDVNLV-PBWFPOADSA-N 1 3 239.407 1.671 20 0 BDADHO CC(C)[N@@H+](CCN)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255666159 970446911 /nfs/dbraw/zinc/44/69/11/970446911.db2.gz VQPPHUZBRDVNLV-PBWFPOADSA-N 1 3 239.407 1.671 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)n1nc(CN)cc1C ZINC001255941946 970570500 /nfs/dbraw/zinc/57/05/00/970570500.db2.gz CGNWQKOCSBWKIU-LLVKDONJSA-N 1 3 238.379 1.943 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CCCO1 ZINC001255940185 970571367 /nfs/dbraw/zinc/57/13/67/970571367.db2.gz RUABGLLXXVFCJK-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC001255940185 970571373 /nfs/dbraw/zinc/57/13/73/970571373.db2.gz RUABGLLXXVFCJK-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CCN2CC[C@@H]2C1 ZINC001255969190 970609574 /nfs/dbraw/zinc/60/95/74/970609574.db2.gz VADOQSIBELEFPO-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CC(CNc2ccc3c(N)cc[nH+]c3c2)C1 ZINC001170256404 970640957 /nfs/dbraw/zinc/64/09/57/970640957.db2.gz KCFPKQDULNYWTE-UHFFFAOYSA-N 1 3 242.326 1.791 20 0 BDADHO C[C@@H]1CN(C2CC[NH+](C3CC3)CC2)CCN1C ZINC001256080572 970649120 /nfs/dbraw/zinc/64/91/20/970649120.db2.gz YXSCLKUHYQNBNA-GFCCVEGCSA-N 1 3 237.391 1.249 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]C[C@@H](C)CN)c1 ZINC001256152959 970673466 /nfs/dbraw/zinc/67/34/66/970673466.db2.gz FUSVWAGCZLXDBL-NWDGAFQWSA-N 1 3 236.359 1.811 20 0 BDADHO C[NH+]1CCC(NCc2cccc(CCO)c2)CC1 ZINC001256198267 970698020 /nfs/dbraw/zinc/69/80/20/970698020.db2.gz HSGXDTSDMWZVKV-UHFFFAOYSA-N 1 3 248.370 1.405 20 0 BDADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579874 972915182 /nfs/dbraw/zinc/91/51/82/972915182.db2.gz HMMUSGYRGBYLFM-WUHRBBMRSA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579874 972915198 /nfs/dbraw/zinc/91/51/98/972915198.db2.gz HMMUSGYRGBYLFM-WUHRBBMRSA-N 1 3 228.380 1.453 20 0 BDADHO CO[C@@H]1CCC[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637726 973056715 /nfs/dbraw/zinc/05/67/15/973056715.db2.gz JAMYRKQKNUTUBY-UMSGYPCISA-N 1 3 224.348 1.380 20 0 BDADHO CN[C@H]1CCN1[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246904818 973384719 /nfs/dbraw/zinc/38/47/19/973384719.db2.gz YSVAFYMHWXHCFG-CHWSQXEVSA-N 1 3 237.391 1.693 20 0 BDADHO C1=C2NCCN([C@@H]3CCC[NH2+]CC3)[C@H]2CCC1 ZINC001246991790 973780988 /nfs/dbraw/zinc/78/09/88/973780988.db2.gz BXILAIFYMRCFRO-OCCSQVGLSA-N 1 3 235.375 1.470 20 0 BDADHO Cc1cc(C)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)[nH]1 ZINC001206163880 974513638 /nfs/dbraw/zinc/51/36/38/974513638.db2.gz HBCHXEUUOMYQEE-NEPJUHHUSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)[nH]1 ZINC001206163880 974513643 /nfs/dbraw/zinc/51/36/43/974513643.db2.gz HBCHXEUUOMYQEE-NEPJUHHUSA-N 1 3 239.338 1.893 20 0 BDADHO CN(CC(=O)NCCC(C)(C)[NH3+])CC(C)(C)C ZINC001330953063 974541819 /nfs/dbraw/zinc/54/18/19/974541819.db2.gz XTSAZMISYNWLDE-UHFFFAOYSA-N 1 3 243.395 1.208 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284182 974545353 /nfs/dbraw/zinc/54/53/53/974545353.db2.gz PNSUXFSKWJGEJU-FRRDWIJNSA-N 1 3 238.375 1.437 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284182 974545357 /nfs/dbraw/zinc/54/53/57/974545357.db2.gz PNSUXFSKWJGEJU-FRRDWIJNSA-N 1 3 238.375 1.437 20 0 BDADHO CCC[N@H+](CCCN)[C@H](C)CCOCC ZINC001172408033 974665817 /nfs/dbraw/zinc/66/58/17/974665817.db2.gz DCDVTGCEJLSJKQ-GFCCVEGCSA-N 1 3 216.369 1.862 20 0 BDADHO CCC[N@@H+](CCCN)[C@H](C)CCOCC ZINC001172408033 974665820 /nfs/dbraw/zinc/66/58/20/974665820.db2.gz DCDVTGCEJLSJKQ-GFCCVEGCSA-N 1 3 216.369 1.862 20 0 BDADHO C[NH2+][C@H](C)CCNC1Cc2ccccc2C1 ZINC001331419303 974713006 /nfs/dbraw/zinc/71/30/06/974713006.db2.gz PWUGTINKQOINPR-LLVKDONJSA-N 1 3 218.344 1.741 20 0 BDADHO Cc1cccnc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206165555 974875130 /nfs/dbraw/zinc/87/51/30/974875130.db2.gz OANWUIQGHXVKNB-NWDGAFQWSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cccnc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206165555 974875133 /nfs/dbraw/zinc/87/51/33/974875133.db2.gz OANWUIQGHXVKNB-NWDGAFQWSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ncccc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206167041 974884654 /nfs/dbraw/zinc/88/46/54/974884654.db2.gz WGPQJIXMRGWHRQ-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ncccc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206167041 974884657 /nfs/dbraw/zinc/88/46/57/974884657.db2.gz WGPQJIXMRGWHRQ-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO CC[NH+](CC)C[C@@H](C)Oc1ccnc(N)c1 ZINC001226657844 975006555 /nfs/dbraw/zinc/00/65/55/975006555.db2.gz SBGQIEBAHVYRLZ-SNVBAGLBSA-N 1 3 223.320 1.773 20 0 BDADHO CC[N@@H+]1CC[C@H](N2CCN3CCCC[C@H]3C2)C1 ZINC001173362427 975335425 /nfs/dbraw/zinc/33/54/25/975335425.db2.gz HBQUPSOPLBNRDG-KBPBESRZSA-N 1 3 237.391 1.251 20 0 BDADHO CC[N@H+]1CC[C@H](N2CCN3CCCC[C@H]3C2)C1 ZINC001173362427 975335430 /nfs/dbraw/zinc/33/54/30/975335430.db2.gz HBQUPSOPLBNRDG-KBPBESRZSA-N 1 3 237.391 1.251 20 0 BDADHO COC(=O)CCCC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001173444546 975384099 /nfs/dbraw/zinc/38/40/99/975384099.db2.gz KLAKAHNNFNSBNP-NWDGAFQWSA-N 1 3 244.379 1.635 20 0 BDADHO COC(=O)CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001173444546 975384109 /nfs/dbraw/zinc/38/41/09/975384109.db2.gz KLAKAHNNFNSBNP-NWDGAFQWSA-N 1 3 244.379 1.635 20 0 BDADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN)C1 ZINC001173649675 975510383 /nfs/dbraw/zinc/51/03/83/975510383.db2.gz HOVAHLVRTNLCFM-IJLUTSLNSA-N 1 3 242.363 1.293 20 0 BDADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN)C1 ZINC001173649683 975515371 /nfs/dbraw/zinc/51/53/71/975515371.db2.gz HOVAHLVRTNLCFM-TUAOUCFPSA-N 1 3 242.363 1.293 20 0 BDADHO C[C@@H](N)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763079 976621025 /nfs/dbraw/zinc/62/10/25/976621025.db2.gz PUWJMNDETXUEBR-BBBLOLIVSA-N 1 3 200.351 1.019 20 0 BDADHO C[C@@H](N)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763079 976621032 /nfs/dbraw/zinc/62/10/32/976621032.db2.gz PUWJMNDETXUEBR-BBBLOLIVSA-N 1 3 200.351 1.019 20 0 BDADHO CC(C)CC[C@H](O)CNCC[C@@H](C)[NH+](C)C ZINC001336780151 977952269 /nfs/dbraw/zinc/95/22/69/977952269.db2.gz XVEDPSAYTSCQME-OLZOCXBDSA-N 1 3 230.396 1.713 20 0 BDADHO c1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ccn1 ZINC001337709787 978466388 /nfs/dbraw/zinc/46/63/88/978466388.db2.gz PKELIXWEFZQXHZ-AWEZNQCLSA-N 1 3 231.343 1.932 20 0 BDADHO c1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccn1 ZINC001337709787 978466394 /nfs/dbraw/zinc/46/63/94/978466394.db2.gz PKELIXWEFZQXHZ-AWEZNQCLSA-N 1 3 231.343 1.932 20 0 BDADHO C[C@@H]1CN(c2cc[nH+]cc2)[C@@H](C)CN1C ZINC001337708079 978469191 /nfs/dbraw/zinc/46/91/91/978469191.db2.gz CQXWDCDAUDBOMP-MNOVXSKESA-N 1 3 205.305 1.610 20 0 BDADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cncn1C ZINC001277765922 978473807 /nfs/dbraw/zinc/47/38/07/978473807.db2.gz WZZRDUDCMKYJCJ-FGWVZKOKSA-N 1 3 220.320 1.139 20 0 BDADHO [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCCOC2)C1 ZINC001206337318 978601878 /nfs/dbraw/zinc/60/18/78/978601878.db2.gz SYGFTWYRBFFCPC-CHWSQXEVSA-N 1 3 244.354 1.566 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340881430 979138430 /nfs/dbraw/zinc/13/84/30/979138430.db2.gz NINFYRBOVBQNNO-ZANVPECISA-N 1 3 247.342 1.602 20 0 BDADHO COC(=O)CN(CCCC[NH3+])C1CCCC1 ZINC001235964141 979231760 /nfs/dbraw/zinc/23/17/60/979231760.db2.gz ZLSFTGCGUWHJQL-UHFFFAOYSA-N 1 3 228.336 1.143 20 0 BDADHO C[C@@H]1CC(CN2C[C@@H]3CC[C@]3([NH3+])C2)C[C@@H](C)O1 ZINC001235978895 979253168 /nfs/dbraw/zinc/25/31/68/979253168.db2.gz LOVZQEMIDWUCOT-RFHZTLPTSA-N 1 3 238.375 1.613 20 0 BDADHO N[C@@]12C[C@@H]1C[N@H+](CCCc1ccc(F)cc1)C2 ZINC001236013803 979295446 /nfs/dbraw/zinc/29/54/46/979295446.db2.gz CBPYZUCYOGFYIL-TZMCWYRMSA-N 1 3 234.318 1.791 20 0 BDADHO N[C@@]12C[C@@H]1C[N@@H+](CCCc1ccc(F)cc1)C2 ZINC001236013803 979295454 /nfs/dbraw/zinc/29/54/54/979295454.db2.gz CBPYZUCYOGFYIL-TZMCWYRMSA-N 1 3 234.318 1.791 20 0 BDADHO C[NH+](C)CCCn1cc(-c2cnccc2N)cn1 ZINC001236149781 979415472 /nfs/dbraw/zinc/41/54/72/979415472.db2.gz GTFVSFHIXZRKKQ-UHFFFAOYSA-N 1 3 245.330 1.309 20 0 BDADHO c1nc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cs1 ZINC001236316524 979528460 /nfs/dbraw/zinc/52/84/60/979528460.db2.gz UCUJTTJAYXEMFA-PHIMTYICSA-N 1 3 237.372 1.575 20 0 BDADHO [NH3+]Cc1ccc(NC(=O)[C@]23C[C@H]2CCCN3)cc1 ZINC001341749373 979543529 /nfs/dbraw/zinc/54/35/29/979543529.db2.gz BLZAOEJELCUVAT-RISCZKNCSA-N 1 3 245.326 1.226 20 0 BDADHO NCc1cc(-c2cccc3c2CC[NH2+]C3)ccn1 ZINC001236356363 979549013 /nfs/dbraw/zinc/54/90/13/979549013.db2.gz YAUDLIUJMHFXHH-UHFFFAOYSA-N 1 3 239.322 1.853 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC001342124516 979668857 /nfs/dbraw/zinc/66/88/57/979668857.db2.gz JXOHXGJJUHUQEZ-CMPLNLGQSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503986 980127644 /nfs/dbraw/zinc/12/76/44/980127644.db2.gz CZRLHFGNYIKQKD-QWRGUYRKSA-N 1 3 241.379 1.090 20 0 BDADHO CN(C)Cc1ccnc(C2=CCC[NH2+]CC2)c1 ZINC001238940042 980378394 /nfs/dbraw/zinc/37/83/94/980378394.db2.gz IARADRJUCLCDSM-UHFFFAOYSA-N 1 3 231.343 1.910 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024049 /nfs/dbraw/zinc/02/40/49/981024049.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 1 3 214.353 1.029 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024050 /nfs/dbraw/zinc/02/40/50/981024050.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024060 /nfs/dbraw/zinc/02/40/60/981024060.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)[C@@H](C)O)C1 ZINC001191391030 981024067 /nfs/dbraw/zinc/02/40/67/981024067.db2.gz UCDCSBCSRFSZNJ-TUAOUCFPSA-N 1 3 214.353 1.029 20 0 BDADHO C[C@H]([NH3+])c1ccc(C2=CCN(C)CC2)cn1 ZINC001241331793 982497197 /nfs/dbraw/zinc/49/71/97/982497197.db2.gz DDTQKETTWAZDEZ-JTQLQIEISA-N 1 3 217.316 1.820 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)nc(N)n1 ZINC001354393916 983296336 /nfs/dbraw/zinc/29/63/36/983296336.db2.gz DCBQEIRGAURPRI-OUAUKWLOSA-N 1 3 247.346 1.119 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)nc(N)n1 ZINC001354393916 983296340 /nfs/dbraw/zinc/29/63/40/983296340.db2.gz DCBQEIRGAURPRI-OUAUKWLOSA-N 1 3 247.346 1.119 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454408 983718170 /nfs/dbraw/zinc/71/81/70/983718170.db2.gz VJLNWFMMCDDQST-GWCFXTLKSA-N 1 3 249.358 1.847 20 0 BDADHO CC(C)C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC001573506885 984032420 /nfs/dbraw/zinc/03/24/20/984032420.db2.gz VAIIWSHPKPHTFG-HZSPNIEDSA-N 1 3 240.391 1.922 20 0 BDADHO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](CN)C(C)C ZINC001577908511 984200552 /nfs/dbraw/zinc/20/05/52/984200552.db2.gz KNOYAHMRNJVEPF-GRYCIOLGSA-N 1 3 244.379 1.395 20 0 BDADHO COCC[C@@H]([NH3+])CNC[C@@H](C)c1ccccn1 ZINC001579003062 984239128 /nfs/dbraw/zinc/23/91/28/984239128.db2.gz XISIKYNTZVQJFC-VXGBXAGGSA-N 1 3 237.347 1.139 20 0 BDADHO [NH3+]C[C@H](NCc1cc[nH]c(=O)c1)C1CCCCC1 ZINC001580229857 984437049 /nfs/dbraw/zinc/43/70/49/984437049.db2.gz UQMNLTAJXXEHAP-ZDUSSCGKSA-N 1 3 249.358 1.784 20 0 BDADHO CN(Cc1ccc(C2=CC[NH2+]C2)nc1)C1CC1 ZINC001243109380 984560768 /nfs/dbraw/zinc/56/07/68/984560768.db2.gz MDHOPAJCUJFBKQ-UHFFFAOYSA-N 1 3 229.327 1.662 20 0 BDADHO O[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879709 984602173 /nfs/dbraw/zinc/60/21/73/984602173.db2.gz CXELTZKZHJHUDA-HUUCEWRRSA-N 1 3 246.354 1.376 20 0 BDADHO CC[N@H+](CC[C@H]1CCOC1=O)C1CCNCC1 ZINC001577713286 984648437 /nfs/dbraw/zinc/64/84/37/984648437.db2.gz WCSDVYGIFAICMT-NSHDSACASA-N 1 3 240.347 1.014 20 0 BDADHO CC[N@@H+](CC[C@H]1CCOC1=O)C1CCNCC1 ZINC001577713286 984648463 /nfs/dbraw/zinc/64/84/63/984648463.db2.gz WCSDVYGIFAICMT-NSHDSACASA-N 1 3 240.347 1.014 20 0 BDADHO CCN(CC[C@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC001577713286 984648489 /nfs/dbraw/zinc/64/84/89/984648489.db2.gz WCSDVYGIFAICMT-NSHDSACASA-N 1 3 240.347 1.014 20 0 BDADHO CCOC(=O)C1(C)CC([NH2+]C[C@@H](N)CC)C1 ZINC001577925372 984822591 /nfs/dbraw/zinc/82/25/91/984822591.db2.gz HKSXGQRHSVYIMP-BMQDGWLCSA-N 1 3 228.336 1.045 20 0 BDADHO Cc1nc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)co1 ZINC001276264452 984837829 /nfs/dbraw/zinc/83/78/29/984837829.db2.gz DFHOXZMJOUVVAX-BETUJISGSA-N 1 3 249.358 1.757 20 0 BDADHO Cc1nc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)co1 ZINC001276264452 984837833 /nfs/dbraw/zinc/83/78/33/984837833.db2.gz DFHOXZMJOUVVAX-BETUJISGSA-N 1 3 249.358 1.757 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093076 984845857 /nfs/dbraw/zinc/84/58/57/984845857.db2.gz FIHDSEVWTGLEAT-CYDGBPFRSA-N 1 3 238.375 1.804 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+][C@H]2C[C@H](N)C2)C12CCCC2 ZINC001578093076 984845858 /nfs/dbraw/zinc/84/58/58/984845858.db2.gz FIHDSEVWTGLEAT-CYDGBPFRSA-N 1 3 238.375 1.804 20 0 BDADHO CCO[C@@]1(C)C[C@H]1NC[C@H](C[NH3+])C(C)C ZINC001578160797 984863757 /nfs/dbraw/zinc/86/37/57/984863757.db2.gz DCROYXHAYYHZHY-TUAOUCFPSA-N 1 3 214.353 1.374 20 0 BDADHO CC1CC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000691904027 984909954 /nfs/dbraw/zinc/90/99/54/984909954.db2.gz FJKDMHIDADNFMD-AOVJVNSTSA-N 1 3 220.360 1.619 20 0 BDADHO CCn1ccc(CN2CCC3(C[NH2+]C3)CC2)n1 ZINC001578353396 984993079 /nfs/dbraw/zinc/99/30/79/984993079.db2.gz FTZRRNSCGKTAJA-UHFFFAOYSA-N 1 3 234.347 1.088 20 0 BDADHO CN1CC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001202776236 985086478 /nfs/dbraw/zinc/08/64/78/985086478.db2.gz PJODUHMWUDNRLZ-UHFFFAOYSA-N 1 3 208.349 1.814 20 0 BDADHO CN(CCC[N@H+](C)CCN)c1ccccc1 ZINC001578470969 985103792 /nfs/dbraw/zinc/10/37/92/985103792.db2.gz JEICOWGESFFAQA-UHFFFAOYSA-N 1 3 221.348 1.403 20 0 BDADHO CN(CCC[N@@H+](C)CCN)c1ccccc1 ZINC001578470969 985103803 /nfs/dbraw/zinc/10/38/03/985103803.db2.gz JEICOWGESFFAQA-UHFFFAOYSA-N 1 3 221.348 1.403 20 0 BDADHO CN(CCN1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC001578472569 985106343 /nfs/dbraw/zinc/10/63/43/985106343.db2.gz BBLZALLUXIUYTR-GJZGRUSLSA-N 1 3 245.370 1.165 20 0 BDADHO C[NH2+]C[C@H](O)CN(C)C[C@H]1CCCC[C@@H]1C ZINC001578652177 985257779 /nfs/dbraw/zinc/25/77/79/985257779.db2.gz FWYVCEYMVVEWSW-XQQFMLRXSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC001578654716 985269503 /nfs/dbraw/zinc/26/95/03/985269503.db2.gz XRQRVQSPBNMCGZ-GFCCVEGCSA-N 1 3 226.364 1.269 20 0 BDADHO C[NH2+]CCCN(C)CC12CC(C)(C1)OC2 ZINC001578687514 985293226 /nfs/dbraw/zinc/29/32/26/985293226.db2.gz UFOKZUGBRSHWAI-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO CNc1ccccc1C[NH2+]C1(CN)CCOCC1 ZINC001578764145 985329098 /nfs/dbraw/zinc/32/90/98/985329098.db2.gz QQJXEYUILKSBDQ-UHFFFAOYSA-N 1 3 249.358 1.326 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](N)C1(C)C ZINC001578897773 985439485 /nfs/dbraw/zinc/43/94/85/985439485.db2.gz YQZHIAXYGKNBSX-JXUBOQSCSA-N 1 3 200.326 1.125 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001578897773 985439500 /nfs/dbraw/zinc/43/95/00/985439500.db2.gz YQZHIAXYGKNBSX-JXUBOQSCSA-N 1 3 200.326 1.125 20 0 BDADHO C[C@H](C[NH2+][C@@H]1COC[C@@H]1C)CN1CCCCC1 ZINC000688025464 985498388 /nfs/dbraw/zinc/49/83/88/985498388.db2.gz PEXXDAQWIIMOQW-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](CN[C@@H]1COC[C@@H]1C)C[NH+]1CCCCC1 ZINC000688025464 985498398 /nfs/dbraw/zinc/49/83/98/985498398.db2.gz PEXXDAQWIIMOQW-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000688028881 985503133 /nfs/dbraw/zinc/50/31/33/985503133.db2.gz IMWBYNBRCGOEPN-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2C)C1 ZINC000688030322 985506537 /nfs/dbraw/zinc/50/65/37/985506537.db2.gz QXDIHBQLQROKGR-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2COC[C@@H]2C)C1 ZINC000688030322 985506554 /nfs/dbraw/zinc/50/65/54/985506554.db2.gz QXDIHBQLQROKGR-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2COC[C@@H]2C)C1 ZINC000688030322 985506580 /nfs/dbraw/zinc/50/65/80/985506580.db2.gz QXDIHBQLQROKGR-YNEHKIRRSA-N 1 3 226.364 1.343 20 0 BDADHO COC1CCC([NH2+][C@H]2CCN[C@@H]2C)CC1 ZINC001578937947 985550494 /nfs/dbraw/zinc/55/04/94/985550494.db2.gz NXJOHUOJUZQJSC-YYJSSNLHSA-N 1 3 212.337 1.284 20 0 BDADHO COC[C@H](CN[C@@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001578961777 985558226 /nfs/dbraw/zinc/55/82/26/985558226.db2.gz SGLCQKZDAOTLPA-FRRDWIJNSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CC(C)C)N[C@H]1C[C@H]([NH3+])C1 ZINC001578961169 985587767 /nfs/dbraw/zinc/58/77/67/985587767.db2.gz VFSXQLSQZRGJAL-DCAQKATOSA-N 1 3 200.326 1.127 20 0 BDADHO COCC[C@@H](N)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000029 985643767 /nfs/dbraw/zinc/64/37/67/985643767.db2.gz NCZCENCHHOATNN-UKRRQHHQSA-N 1 3 248.370 1.970 20 0 BDADHO COCC[C@@H](N)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000029 985643773 /nfs/dbraw/zinc/64/37/73/985643773.db2.gz NCZCENCHHOATNN-UKRRQHHQSA-N 1 3 248.370 1.970 20 0 BDADHO COCC[C@@H]([NH3+])CN[C@@H]1C[C@H]1C1CCC1 ZINC001579004197 985659317 /nfs/dbraw/zinc/65/93/17/985659317.db2.gz RPCAUNFFBTWQCA-GRYCIOLGSA-N 1 3 212.337 1.128 20 0 BDADHO COCC[C@@H]([NH3+])CNCCc1ccc(C)cc1 ZINC001579003690 985664374 /nfs/dbraw/zinc/66/43/74/985664374.db2.gz LHTDLEKIWDIJKR-CQSZACIVSA-N 1 3 236.359 1.491 20 0 BDADHO CO[C@@H]1CCCC[C@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC001579114751 985751429 /nfs/dbraw/zinc/75/14/29/985751429.db2.gz ZRKWDAZUVZESES-UMSGYPCISA-N 1 3 224.348 1.143 20 0 BDADHO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@H]3C[C@@H](N)C3)C[C@H]2C1 ZINC001579127328 985805012 /nfs/dbraw/zinc/80/50/12/985805012.db2.gz LKRBISZYKAHRAC-LDTYRUFESA-N 1 3 224.348 1.269 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+][C@H]2C[C@@H](N)C2)n1 ZINC001579269376 985830221 /nfs/dbraw/zinc/83/02/21/985830221.db2.gz SQKIWFDHWVSKDM-JBLDHEPKSA-N 1 3 235.331 1.101 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(CC(C)(C)O)C1CC1 ZINC001579454598 985941577 /nfs/dbraw/zinc/94/15/77/985941577.db2.gz NQIOYECXDKJBGU-MNOVXSKESA-N 1 3 226.364 1.077 20 0 BDADHO C[C@@]12CSC[C@@H]1C[N@H+](CC1(CN)CC1)C2 ZINC001579475717 985986483 /nfs/dbraw/zinc/98/64/83/985986483.db2.gz OCFXEFXYHLEHTG-WDEREUQCSA-N 1 3 226.389 1.410 20 0 BDADHO C[C@@]12CSC[C@@H]1C[N@@H+](CC1(CN)CC1)C2 ZINC001579475717 985986511 /nfs/dbraw/zinc/98/65/11/985986511.db2.gz OCFXEFXYHLEHTG-WDEREUQCSA-N 1 3 226.389 1.410 20 0 BDADHO C[C@]1(CN[C@H]2C[C@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185262 986380140 /nfs/dbraw/zinc/38/01/40/986380140.db2.gz KACWESYZZGVOKJ-LPEHRKFASA-N 1 3 230.302 1.891 20 0 BDADHO COC1(C[NH2+]C[C@H]2CN3CCC2CC3)CCC1 ZINC001462632751 986462537 /nfs/dbraw/zinc/46/25/37/986462537.db2.gz FKMRJKPWTDGJDK-ZDUSSCGKSA-N 1 3 238.375 1.487 20 0 BDADHO C([NH2+]C[C@H]1CN2CCC1CC2)[C@H]1CCSC1 ZINC001462634075 986463541 /nfs/dbraw/zinc/46/35/41/986463541.db2.gz GWLIHICNOJGNPI-YPMHNXCESA-N 1 3 240.416 1.671 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOCC3)[C@@H]2C1 ZINC001462668168 986491587 /nfs/dbraw/zinc/49/15/87/986491587.db2.gz MUBYTEQIIJKMDY-DGAVXFQQSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001462671015 986496030 /nfs/dbraw/zinc/49/60/30/986496030.db2.gz QHUVCKWZPVOITE-HBJVGIJOSA-N 1 3 249.358 1.535 20 0 BDADHO NC[C@@]12C[N@H+](C[C@H](O)C3CC3)C[C@H]1CCCC2 ZINC001580256020 986708327 /nfs/dbraw/zinc/70/83/27/986708327.db2.gz PFMIULJBGMVPTH-RDBSUJKOSA-N 1 3 238.375 1.208 20 0 BDADHO NC[C@@]12C[N@@H+](C[C@H](O)C3CC3)C[C@H]1CCCC2 ZINC001580256020 986708338 /nfs/dbraw/zinc/70/83/38/986708338.db2.gz PFMIULJBGMVPTH-RDBSUJKOSA-N 1 3 238.375 1.208 20 0 BDADHO [NH3+]Cc1cnccc1-c1ccc2c(n1)CNCC2 ZINC001245559090 986950694 /nfs/dbraw/zinc/95/06/94/986950694.db2.gz YNHRZRXDMAKJEE-UHFFFAOYSA-N 1 3 240.310 1.248 20 0 BDADHO CCCC[C@H](O)CNC[C@H]1CCC[NH2+][C@H]1C ZINC001245975971 987242756 /nfs/dbraw/zinc/24/27/56/987242756.db2.gz AKSBCWVRDLMQTI-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO CCCC[C@H](O)CNC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001245995087 987277894 /nfs/dbraw/zinc/27/78/94/987277894.db2.gz SOZSAEOJKVBVDF-UPJWGTAASA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001246006828 987283259 /nfs/dbraw/zinc/28/32/59/987283259.db2.gz VTMDDZFPUQAQAC-JOYOIKCWSA-N 1 3 244.285 1.325 20 0 BDADHO C[C@@](O)(CN1CCC[C@H]([NH3+])CC1)c1ccccc1 ZINC001246015841 987298883 /nfs/dbraw/zinc/29/88/83/987298883.db2.gz HQAVRWIYQPOWHL-LSDHHAIUSA-N 1 3 248.370 1.707 20 0 BDADHO CC(C)(C)[C@H](O)CN1CCCC[C@@](F)(C[NH3+])C1 ZINC001246025920 987321071 /nfs/dbraw/zinc/32/10/71/987321071.db2.gz YHIQSBVKTVPORE-DGCLKSJQSA-N 1 3 246.370 1.546 20 0 BDADHO COCCN(CCF)CCC1CC[NH2+]CC1 ZINC000697272520 987349963 /nfs/dbraw/zinc/34/99/63/987349963.db2.gz HSNSCJNVHSMOPA-UHFFFAOYSA-N 1 3 232.343 1.294 20 0 BDADHO CC1(C)CN(C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000697090005 987350722 /nfs/dbraw/zinc/35/07/22/987350722.db2.gz WSSKPGOHEJNAHU-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CCCOCC1)N(C)C ZINC000697888953 987365655 /nfs/dbraw/zinc/36/56/55/987365655.db2.gz JWDHPVPZROAJSC-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)NC1CC[NH2+]CC1 ZINC001246077169 987368760 /nfs/dbraw/zinc/36/87/60/987368760.db2.gz HOLVUCAIVZMSNX-LLVKDONJSA-N 1 3 242.363 1.448 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246077169 987368765 /nfs/dbraw/zinc/36/87/65/987368765.db2.gz HOLVUCAIVZMSNX-LLVKDONJSA-N 1 3 242.363 1.448 20 0 BDADHO COC(=O)[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC001246081843 987376184 /nfs/dbraw/zinc/37/61/84/987376184.db2.gz UHGRROWWAMAVNE-JQWIXIFHSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)[C@H]1CCC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246081843 987376199 /nfs/dbraw/zinc/37/61/99/987376199.db2.gz UHGRROWWAMAVNE-JQWIXIFHSA-N 1 3 240.347 1.060 20 0 BDADHO O=C1C[C@H]2C[C@H]([NH2+]C3CCNCC3)C[C@H]2C1 ZINC001246082036 987378615 /nfs/dbraw/zinc/37/86/15/987378615.db2.gz VQVPYWCOAFQHAI-IAZYJMLFSA-N 1 3 222.332 1.086 20 0 BDADHO C[C@H]1CC[C@H](N[C@H]2CCCOCC2)C[NH2+]1 ZINC001246083793 987381473 /nfs/dbraw/zinc/38/14/73/987381473.db2.gz JZQWGZSWKVCCEK-SRVKXCTJSA-N 1 3 212.337 1.286 20 0 BDADHO CC[C@@H](CC(C)C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246086534 987385558 /nfs/dbraw/zinc/38/55/58/987385558.db2.gz DCZZSJLCJQSUHB-RWMBFGLXSA-N 1 3 246.370 1.463 20 0 BDADHO F[C@@H]1CC[C@@H](C[NH2+]C2CCNCC2)C1 ZINC001246089637 987394768 /nfs/dbraw/zinc/39/47/68/987394768.db2.gz AJBUJIFQUMERBG-NXEZZACHSA-N 1 3 200.301 1.466 20 0 BDADHO CCOC(=O)CC(C)(C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246090783 987397137 /nfs/dbraw/zinc/39/71/37/987397137.db2.gz ZNLXQAMEMVBISM-GHMZBOCLSA-N 1 3 242.363 1.448 20 0 BDADHO COC(=O)CCCCCCN[C@@H]1CCC[NH2+]C1 ZINC001246091483 987397538 /nfs/dbraw/zinc/39/75/38/987397538.db2.gz LKPIQDYDFWRNHT-GFCCVEGCSA-N 1 3 242.363 1.452 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090970 987398848 /nfs/dbraw/zinc/39/88/48/987398848.db2.gz CHFVDHNADLMSLW-NOOOWODRSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCCOC2)C[NH2+]1 ZINC001246096883 987407749 /nfs/dbraw/zinc/40/77/49/987407749.db2.gz NGVXFUOHZUNREP-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCCOCC2)[NH2+]C1 ZINC001246104106 987429094 /nfs/dbraw/zinc/42/90/94/987429094.db2.gz JHYMXCWWMMDJIS-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@@H]1COC(C)(C)C1 ZINC001246115285 987456744 /nfs/dbraw/zinc/45/67/44/987456744.db2.gz YKKMTKGSUYJFAZ-TUAOUCFPSA-N 1 3 226.364 1.532 20 0 BDADHO NCc1c(F)cccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246173716 987540145 /nfs/dbraw/zinc/54/01/45/987540145.db2.gz VGVIYMCGDZWFFQ-ZACCUICWSA-N 1 3 249.333 1.979 20 0 BDADHO CC(C)[C@H](O)CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001473843878 987575878 /nfs/dbraw/zinc/57/58/78/987575878.db2.gz OGFFPACOXPYTHE-MCIONIFRSA-N 1 3 240.391 1.277 20 0 BDADHO CC(C)[C@H](O)CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001473843878 987575887 /nfs/dbraw/zinc/57/58/87/987575887.db2.gz OGFFPACOXPYTHE-MCIONIFRSA-N 1 3 240.391 1.277 20 0 BDADHO C[C@@H](Cc1ccccn1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246200656 987593906 /nfs/dbraw/zinc/59/39/06/987593906.db2.gz ALBXDCPCBDYGIJ-OUCADQQQSA-N 1 3 233.359 1.872 20 0 BDADHO CCOC(=O)CC[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204594 987600225 /nfs/dbraw/zinc/60/02/25/987600225.db2.gz HUGDJRZSIQVFJH-IJLUTSLNSA-N 1 3 242.363 1.578 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2(CO)CCCC2)CCN1 ZINC001246206095 987601859 /nfs/dbraw/zinc/60/18/59/987601859.db2.gz XKWPIUBTJABGPX-MNOVXSKESA-N 1 3 212.337 1.022 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CCN1 ZINC001246214541 987609213 /nfs/dbraw/zinc/60/92/13/987609213.db2.gz IYRNZLDJNGYRBY-GWOFURMSSA-N 1 3 200.301 1.465 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@H]2C[C@H](F)C2)C[NH2+]1 ZINC001246217925 987616055 /nfs/dbraw/zinc/61/60/55/987616055.db2.gz NLQOQHHKYHBQKL-DBIOUOCHSA-N 1 3 200.301 1.465 20 0 BDADHO C[C@H](Cc1cnccn1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246237420 987636004 /nfs/dbraw/zinc/63/60/04/987636004.db2.gz OBGJRXFAVAZWLN-UTUOFQBUSA-N 1 3 234.347 1.138 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](O)C2)CCN1 ZINC001246249864 987647881 /nfs/dbraw/zinc/64/78/81/987647881.db2.gz RNXMAAPKBCVGHC-NOOOWODRSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246249338 987648097 /nfs/dbraw/zinc/64/80/97/987648097.db2.gz OKWJOQQFGZOXOP-KXUCPTDWSA-N 1 3 208.309 1.216 20 0 BDADHO CCOC(=O)CCCCC[NH2+]C1CCNCC1 ZINC001246246970 987649678 /nfs/dbraw/zinc/64/96/78/987649678.db2.gz VDUJITYEKRIAHI-UHFFFAOYSA-N 1 3 242.363 1.452 20 0 BDADHO c1ncc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC001246263458 987658852 /nfs/dbraw/zinc/65/88/52/987658852.db2.gz AWHPWCOEEDGUOD-ZACCUICWSA-N 1 3 237.372 1.558 20 0 BDADHO NCc1ccc2c(n1)N([C@H]1CCC[NH2+]C1)CCC2 ZINC001246266134 987662343 /nfs/dbraw/zinc/66/23/43/987662343.db2.gz WEAMTJSJOODWOM-ZDUSSCGKSA-N 1 3 246.358 1.045 20 0 BDADHO COc1ccc(CCN[C@@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246274671 987670922 /nfs/dbraw/zinc/67/09/22/987670922.db2.gz ZPYOSCSOJXVKAZ-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO c1ccc2c(c1)CN[C@@H](CN[C@H]1CCC[NH2+]C1)C2 ZINC001246277400 987672572 /nfs/dbraw/zinc/67/25/72/987672572.db2.gz IXJKOOAXLKVUJN-LSDHHAIUSA-N 1 3 245.370 1.043 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCCC3)[C@@H]2C1 ZINC001474301166 987683416 /nfs/dbraw/zinc/68/34/16/987683416.db2.gz GKZRGZZBTOPVPV-CYZMBNFOSA-N 1 3 208.349 1.859 20 0 BDADHO CCCC[C@H](CC(C)C)[NH2+][C@H]1CNC[C@H]1CO ZINC001246307996 987708281 /nfs/dbraw/zinc/70/82/81/987708281.db2.gz NRCGPYMAIVVUMP-MJBXVCDLSA-N 1 3 242.407 1.761 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H]1Cc2ccc(OC)cc2C1 ZINC001246312689 987716420 /nfs/dbraw/zinc/71/64/20/987716420.db2.gz GYGTZZAIGQNBNU-OLZOCXBDSA-N 1 3 234.343 1.489 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)C1 ZINC001474499100 987741533 /nfs/dbraw/zinc/74/15/33/987741533.db2.gz KADGTLSJHGEVLN-YIYPIFLZSA-N 1 3 238.375 1.341 20 0 BDADHO OCCCCCCCCN[C@H]1CCC[NH2+]C1 ZINC001246338948 987749482 /nfs/dbraw/zinc/74/94/82/987749482.db2.gz DIJJXFPMJVUJQT-ZDUSSCGKSA-N 1 3 228.380 1.661 20 0 BDADHO CSC(C)(C)C[C@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246444814 987801927 /nfs/dbraw/zinc/80/19/27/987801927.db2.gz LTWKWXONHNSMMZ-VHSXEESVSA-N 1 3 228.405 1.858 20 0 BDADHO CSC(C)(C)C[C@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246444814 987801931 /nfs/dbraw/zinc/80/19/31/987801931.db2.gz LTWKWXONHNSMMZ-VHSXEESVSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246464311 987822407 /nfs/dbraw/zinc/82/24/07/987822407.db2.gz ZDBOBWPROVYZTA-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO COC(=O)CC[C@@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246477221 987829876 /nfs/dbraw/zinc/82/98/76/987829876.db2.gz HKXSOZJFYGIAJT-MXWKQRLJSA-N 1 3 228.336 1.188 20 0 BDADHO c1ccc2c(c1)NC[C@@H]2C[NH2+]C1CCNCC1 ZINC001246475045 987832748 /nfs/dbraw/zinc/83/27/48/987832748.db2.gz QWBYAMWRICKKIY-NSHDSACASA-N 1 3 231.343 1.537 20 0 BDADHO c1ccc2c(c1)NC[C@@H]2CNC1CC[NH2+]CC1 ZINC001246475045 987832752 /nfs/dbraw/zinc/83/27/52/987832752.db2.gz QWBYAMWRICKKIY-NSHDSACASA-N 1 3 231.343 1.537 20 0 BDADHO CO[C@H]1CC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC001246517347 987866867 /nfs/dbraw/zinc/86/68/67/987866867.db2.gz ZUTUPHRFUDUWFE-KLPPZKSPSA-N 1 3 212.337 1.286 20 0 BDADHO CCCC[C@@H]1C[C@@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246526227 987879071 /nfs/dbraw/zinc/87/90/71/987879071.db2.gz NZQQLHGNIDZUOT-XQHKEYJVSA-N 1 3 243.370 1.278 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)N1C[C@@H](F)[C@@H](N)C1 ZINC001246527719 987882472 /nfs/dbraw/zinc/88/24/72/987882472.db2.gz VTTOZKMOCVMUSN-XQQFMLRXSA-N 1 3 245.386 1.478 20 0 BDADHO CC[C@@H]1C[C@@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC001246541476 987911629 /nfs/dbraw/zinc/91/16/29/987911629.db2.gz LSBPDULUYBABJV-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[C@@H]([N@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC001246541476 987911636 /nfs/dbraw/zinc/91/16/36/987911636.db2.gz LSBPDULUYBABJV-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO COC(=O)CCCC[C@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246542723 987911987 /nfs/dbraw/zinc/91/19/87/987911987.db2.gz KWQLWZYPGCYQRU-QJPTWQEYSA-N 1 3 242.363 1.530 20 0 BDADHO C[C@H]1C[N@@H+]([C@H]2CCCOCC2)C[C@H]1CN ZINC001246543045 987914028 /nfs/dbraw/zinc/91/40/28/987914028.db2.gz RPRFFDZQBPLRMV-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1C[N@H+]([C@H]2CCCOCC2)C[C@H]1CN ZINC001246543045 987914035 /nfs/dbraw/zinc/91/40/35/987914035.db2.gz RPRFFDZQBPLRMV-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001246558401 987976791 /nfs/dbraw/zinc/97/67/91/987976791.db2.gz QBJCNHZWIHJBOG-HZSPNIEDSA-N 1 3 239.407 1.530 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001246558401 987976802 /nfs/dbraw/zinc/97/68/02/987976802.db2.gz QBJCNHZWIHJBOG-HZSPNIEDSA-N 1 3 239.407 1.530 20 0 BDADHO CCCC[C@@H](CC)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558727 987983160 /nfs/dbraw/zinc/98/31/60/987983160.db2.gz MXUIWWJOBTXMLQ-IJLUTSLNSA-N 1 3 214.353 1.349 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH2+]C)C12CCC2 ZINC001118121217 988022277 /nfs/dbraw/zinc/02/22/77/988022277.db2.gz CBNSEXAHTMQRII-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO CCCC[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580193 988097652 /nfs/dbraw/zinc/09/76/52/988097652.db2.gz KYKMXSYOMKJKMV-TUAOUCFPSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580193 988097666 /nfs/dbraw/zinc/09/76/66/988097666.db2.gz KYKMXSYOMKJKMV-TUAOUCFPSA-N 1 3 214.353 1.207 20 0 BDADHO NC[C@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581984 988113973 /nfs/dbraw/zinc/11/39/73/988113973.db2.gz LWGKEJROOBTJRU-RLAWYHOSSA-N 1 3 238.375 1.757 20 0 BDADHO NC[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581984 988113983 /nfs/dbraw/zinc/11/39/83/988113983.db2.gz LWGKEJROOBTJRU-RLAWYHOSSA-N 1 3 238.375 1.757 20 0 BDADHO COC[C@@H](C)[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246583778 988120059 /nfs/dbraw/zinc/12/00/59/988120059.db2.gz KSCFQKVCZHIOLD-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@@H](C)[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246583778 988120066 /nfs/dbraw/zinc/12/00/66/988120066.db2.gz KSCFQKVCZHIOLD-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO Cc1ccc(C[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](CN)C2)cc1 ZINC001246583602 988120027 /nfs/dbraw/zinc/12/00/27/988120027.db2.gz KAKONXQDCYMRHB-AEGPPILISA-N 1 3 248.370 1.177 20 0 BDADHO Cc1ccc(C[C@H](C)[N@H+]2C[C@@H](O)[C@@H](CN)C2)cc1 ZINC001246583602 988120031 /nfs/dbraw/zinc/12/00/31/988120031.db2.gz KAKONXQDCYMRHB-AEGPPILISA-N 1 3 248.370 1.177 20 0 BDADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583148 988123258 /nfs/dbraw/zinc/12/32/58/988123258.db2.gz IJRSNOVVRGQGIN-XUXIUFHCSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246583148 988123263 /nfs/dbraw/zinc/12/32/63/988123263.db2.gz IJRSNOVVRGQGIN-XUXIUFHCSA-N 1 3 242.407 1.699 20 0 BDADHO NC[C@H]1C[N@@H+](C2CCCCCCC2)C[C@@H]1O ZINC001246585559 988136434 /nfs/dbraw/zinc/13/64/34/988136434.db2.gz PBKUTQJYHPYWNW-AAEUAGOBSA-N 1 3 226.364 1.351 20 0 BDADHO NC[C@H]1C[N@H+](C2CCCCCCC2)C[C@@H]1O ZINC001246585559 988136437 /nfs/dbraw/zinc/13/64/37/988136437.db2.gz PBKUTQJYHPYWNW-AAEUAGOBSA-N 1 3 226.364 1.351 20 0 BDADHO CCCCC[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246584498 988139164 /nfs/dbraw/zinc/13/91/64/988139164.db2.gz NHCKIKKIRRWEGH-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CCCCC[C@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246584498 988139179 /nfs/dbraw/zinc/13/91/79/988139179.db2.gz NHCKIKKIRRWEGH-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CC[C@H](CC(C)C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588489 988152873 /nfs/dbraw/zinc/15/28/73/988152873.db2.gz ZSZKXBDZDYLCPH-TUAOUCFPSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246588489 988152885 /nfs/dbraw/zinc/15/28/85/988152885.db2.gz ZSZKXBDZDYLCPH-TUAOUCFPSA-N 1 3 214.353 1.063 20 0 BDADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@]1(C)O ZINC001246587161 988149832 /nfs/dbraw/zinc/14/98/32/988149832.db2.gz FTPCOEUSFYODEE-YIPFDTCYSA-N 1 3 238.375 1.362 20 0 BDADHO C[NH2+][C@@H](C)CCNC(=O)[C@H](N)C1CCCCC1 ZINC001118256388 988158390 /nfs/dbraw/zinc/15/83/90/988158390.db2.gz SCGSYNHBBFAKES-CMPLNLGQSA-N 1 3 241.379 1.008 20 0 BDADHO CCCCC[C@H](C)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621861 988272677 /nfs/dbraw/zinc/27/26/77/988272677.db2.gz GNJBCLGMZXGFKQ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)C[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636980 988331528 /nfs/dbraw/zinc/33/15/28/988331528.db2.gz HZZBRRMGGWLIFX-IJLUTSLNSA-N 1 3 224.348 1.380 20 0 BDADHO CC(C)[C@H]1C[C@H](N2CC[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246818234 988504351 /nfs/dbraw/zinc/50/43/51/988504351.db2.gz AYFGMXLJZCGCGT-FVCCEPFGSA-N 1 3 243.370 1.134 20 0 BDADHO C[NH2+]CC[C@H](C)N1CCN[C@H](c2ccccc2)C1 ZINC001246823553 988511981 /nfs/dbraw/zinc/51/19/81/988511981.db2.gz CSINLLKUWSIQLE-ZFWWWQNUSA-N 1 3 247.386 1.631 20 0 BDADHO CO[C@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC001246825993 988514271 /nfs/dbraw/zinc/51/42/71/988514271.db2.gz YBWJWLODNRYOMA-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC001246825993 988514296 /nfs/dbraw/zinc/51/42/96/988514296.db2.gz YBWJWLODNRYOMA-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859628 988584637 /nfs/dbraw/zinc/58/46/37/988584637.db2.gz MCQSAYOBCKQKOL-LVEVGFFFSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859628 988584653 /nfs/dbraw/zinc/58/46/53/988584653.db2.gz MCQSAYOBCKQKOL-LVEVGFFFSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1C[C@@H](N2CCC(n3cccn3)CC2)CC[NH2+]1 ZINC001246866215 988611630 /nfs/dbraw/zinc/61/16/30/988611630.db2.gz ISFKUCPRTHXRGS-JSGCOSHPSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@H]1C[C@@H]([NH+]2CCC(n3cccn3)CC2)CCN1 ZINC001246866215 988611641 /nfs/dbraw/zinc/61/16/41/988611641.db2.gz ISFKUCPRTHXRGS-JSGCOSHPSA-N 1 3 248.374 1.661 20 0 BDADHO C1=C2NCCN([C@H]3CCC[NH2+]CC3)[C@@H]2CCC1 ZINC001246991788 988824027 /nfs/dbraw/zinc/82/40/27/988824027.db2.gz BXILAIFYMRCFRO-GXTWGEPZSA-N 1 3 235.375 1.470 20 0 BDADHO C[C@H](Cn1cccn1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001119631950 989268482 /nfs/dbraw/zinc/26/84/82/989268482.db2.gz JADZWEXBMOPVLA-MGPQQGTHSA-N 1 3 248.374 1.393 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/C1CC1 ZINC001119705794 989351922 /nfs/dbraw/zinc/35/19/22/989351922.db2.gz ZDQLTUUXPJQURK-ALDRUPGHSA-N 1 3 220.360 1.882 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC/C=C/C1CC1 ZINC001119705794 989351932 /nfs/dbraw/zinc/35/19/32/989351932.db2.gz ZDQLTUUXPJQURK-ALDRUPGHSA-N 1 3 220.360 1.882 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC/C=C/C1CC1 ZINC001119705794 989351948 /nfs/dbraw/zinc/35/19/48/989351948.db2.gz ZDQLTUUXPJQURK-ALDRUPGHSA-N 1 3 220.360 1.882 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+]CCCN1CCCC1 ZINC001119952719 989506103 /nfs/dbraw/zinc/50/61/03/989506103.db2.gz CXVBKDWIZFAHDV-NSHDSACASA-N 1 3 228.336 1.014 20 0 BDADHO C[C@@H](CNc1ccncc1CO)C[NH+]1CCCC1 ZINC001120015066 989562852 /nfs/dbraw/zinc/56/28/52/989562852.db2.gz XEGSVQRTERSFAW-LBPRGKRZSA-N 1 3 249.358 1.140 20 0 BDADHO CC(C)([NH3+])CCC(=O)Nc1cccc2c1CNC2 ZINC001522497640 989858755 /nfs/dbraw/zinc/85/87/55/989858755.db2.gz YKFOBQHVOBWRGR-UHFFFAOYSA-N 1 3 247.342 1.746 20 0 BDADHO C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)CCCCC[NH3+] ZINC001522823484 989878136 /nfs/dbraw/zinc/87/81/36/989878136.db2.gz BWJJQVPEHQKYKW-WOPDTQHZSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001121985969 990167230 /nfs/dbraw/zinc/16/72/30/990167230.db2.gz FEFOFXYIDJMSSF-DCAQKATOSA-N 1 3 243.395 1.240 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001122143801 990262483 /nfs/dbraw/zinc/26/24/83/990262483.db2.gz QGKVCZWWFTXOPV-MNOVXSKESA-N 1 3 241.379 1.138 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)[C@H]1CCCO1 ZINC001308984903 991252690 /nfs/dbraw/zinc/25/26/90/991252690.db2.gz QFHXKHLBJGQZKT-RYMFRWLXSA-N 1 3 238.375 1.484 20 0 BDADHO COC(=O)CC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001258357450 991295068 /nfs/dbraw/zinc/29/50/68/991295068.db2.gz HLJFMKDOERWAOC-DCAQKATOSA-N 1 3 228.336 1.188 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@@H+]1CCC[C@H]1CN ZINC001258477638 991451092 /nfs/dbraw/zinc/45/10/92/991451092.db2.gz KMTWEAMZPHUCNE-MNOVXSKESA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@H]1CN ZINC001258477638 991451097 /nfs/dbraw/zinc/45/10/97/991451097.db2.gz KMTWEAMZPHUCNE-MNOVXSKESA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CC[C@@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001258484670 991454655 /nfs/dbraw/zinc/45/46/55/991454655.db2.gz WIBACVUIDQQWAH-WDEREUQCSA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001258484670 991454660 /nfs/dbraw/zinc/45/46/60/991454660.db2.gz WIBACVUIDQQWAH-WDEREUQCSA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001258484670 991454665 /nfs/dbraw/zinc/45/46/65/991454665.db2.gz WIBACVUIDQQWAH-WDEREUQCSA-N 1 3 230.352 1.245 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCSCC3)[C@@H]2C1 ZINC001560623513 991524043 /nfs/dbraw/zinc/52/40/43/991524043.db2.gz ZPRGEOYSTALLFM-CYZMBNFOSA-N 1 3 240.416 1.812 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)Cc1cccnc1 ZINC001258615413 991542633 /nfs/dbraw/zinc/54/26/33/991542633.db2.gz IDHKWBDFMNXZQD-GHMZBOCLSA-N 1 3 207.321 1.197 20 0 BDADHO CC[C@@H](C(=O)N(C)CC[NH2+]CC(C)C)N(C)C ZINC001317653182 991572300 /nfs/dbraw/zinc/57/23/00/991572300.db2.gz FGLUBSUUYZXCBS-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CCC[NH+]1CCC(n2ccc(CN)n2)CC1 ZINC001258764862 991727334 /nfs/dbraw/zinc/72/73/34/991727334.db2.gz QDNOMHYRECDMOT-UHFFFAOYSA-N 1 3 222.336 1.389 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12)[C@@H]1CC1(F)F ZINC001474757333 992528957 /nfs/dbraw/zinc/52/89/57/992528957.db2.gz UVXAZTYAPGTOLK-MTVMDMGHSA-N 1 3 244.329 1.960 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC001573640353 992662003 /nfs/dbraw/zinc/66/20/03/992662003.db2.gz HPWGUUNXUOPXPS-ZFWWWQNUSA-N 1 3 247.386 1.588 20 0 BDADHO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCN1 ZINC001574796587 992911430 /nfs/dbraw/zinc/91/14/30/992911430.db2.gz YHOXXUPXIDMDAK-XQHKEYJVSA-N 1 3 236.359 1.286 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+]CCOCCF ZINC001575130292 992994163 /nfs/dbraw/zinc/99/41/63/992994163.db2.gz JBUNBOGASVKCSE-LLVKDONJSA-N 1 3 234.359 1.716 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC001575497664 993059523 /nfs/dbraw/zinc/05/95/23/993059523.db2.gz GCGPTAKFVQPYGX-FIQHERPVSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC001575618259 993086768 /nfs/dbraw/zinc/08/67/68/993086768.db2.gz BVECIAUFGMRPDE-HBNTYKKESA-N 1 3 214.353 1.109 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001263107156 993118677 /nfs/dbraw/zinc/11/86/77/993118677.db2.gz PGBFAMSSXDYJFE-USZNOCQGSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@@H](CC(=O)Nc1ccccc1)N[C@H]1C[C@H]([NH3+])C1 ZINC001575920797 993127050 /nfs/dbraw/zinc/12/70/50/993127050.db2.gz BGZQUYXGTDLSBL-GVXVVHGQSA-N 1 3 247.342 1.483 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001576153515 993193165 /nfs/dbraw/zinc/19/31/65/993193165.db2.gz VAUQVUPBYPNJMQ-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO COC(C)(C)CC[N@@H+]1CCC[C@@H](N)CC1 ZINC000378675954 993199047 /nfs/dbraw/zinc/19/90/47/993199047.db2.gz PCFGRGFAEHVXGW-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO COC(C)(C)CC[N@H+]1CCC[C@@H](N)CC1 ZINC000378675954 993199051 /nfs/dbraw/zinc/19/90/51/993199051.db2.gz PCFGRGFAEHVXGW-LLVKDONJSA-N 1 3 214.353 1.615 20 0 BDADHO CC(C)CN1CCC([NH2+]CC2CN(C)C2)CC1 ZINC000379480282 993250358 /nfs/dbraw/zinc/25/03/58/993250358.db2.gz SYDFXWWYQVFIDG-UHFFFAOYSA-N 1 3 239.407 1.258 20 0 BDADHO CC1(C)[C@H](NC[C@@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC001576380523 993286458 /nfs/dbraw/zinc/28/64/58/993286458.db2.gz TWUWCNWXICBORD-MELADBBJSA-N 1 3 248.370 1.305 20 0 BDADHO NC[C@@H]1CCCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000379936048 993300037 /nfs/dbraw/zinc/30/00/37/993300037.db2.gz XIHSAGLUKUFPAT-RYUDHWBXSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@@H]1CCCC[N@H+]([C@H]2CCCSC2)C1 ZINC000379936048 993300045 /nfs/dbraw/zinc/30/00/45/993300045.db2.gz XIHSAGLUKUFPAT-RYUDHWBXSA-N 1 3 228.405 1.943 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN1CCCCC[C@H]1C ZINC000380129411 993315707 /nfs/dbraw/zinc/31/57/07/993315707.db2.gz DFZGUWPIEOZVNL-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](N)CCC(C)(C)C ZINC001576572453 993349549 /nfs/dbraw/zinc/34/95/49/993349549.db2.gz LOHLKVNSKYKUKV-JHJVBQTASA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](N)CCC(C)(C)C ZINC001576572453 993349552 /nfs/dbraw/zinc/34/95/52/993349552.db2.gz LOHLKVNSKYKUKV-JHJVBQTASA-N 1 3 242.407 1.843 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN(C)CC1CCC1 ZINC000381034161 993364705 /nfs/dbraw/zinc/36/47/05/993364705.db2.gz DWPNMDLAXPXXPY-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CO1 ZINC001576622339 993373682 /nfs/dbraw/zinc/37/36/82/993373682.db2.gz CRMPVCDHGYMYGZ-UMSGYPCISA-N 1 3 224.348 1.286 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC000381323903 993386198 /nfs/dbraw/zinc/38/61/98/993386198.db2.gz QBRFFFWPUSBYNZ-FRRDWIJNSA-N 1 3 228.380 1.730 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC000381323903 993386207 /nfs/dbraw/zinc/38/62/07/993386207.db2.gz QBRFFFWPUSBYNZ-FRRDWIJNSA-N 1 3 228.380 1.730 20 0 BDADHO CC[C@H](C)C[C@H](CO)[NH2+]CC1(CN)CC1 ZINC001576972547 993478159 /nfs/dbraw/zinc/47/81/59/993478159.db2.gz WAVPFNSPJUDPLW-WDEREUQCSA-N 1 3 214.353 1.112 20 0 BDADHO CC[C@H](Cc1ccccc1)NC[C@]1(O)CC[NH2+]C1 ZINC001577096506 993502104 /nfs/dbraw/zinc/50/21/04/993502104.db2.gz PDYIBXPTLVVEKW-CABCVRRESA-N 1 3 248.370 1.322 20 0 BDADHO CC[C@H]([NH3+])CNC[C@@]1(C)CCCCO1 ZINC001577124941 993516272 /nfs/dbraw/zinc/51/62/72/993516272.db2.gz YOBJTTRNUDFBBJ-WDEREUQCSA-N 1 3 200.326 1.273 20 0 BDADHO CC[C@H]([NH2+]CC(CC)(CC)CN)[C@H](C)O ZINC001577175931 993532315 /nfs/dbraw/zinc/53/23/15/993532315.db2.gz MWMZBDADFIEVHT-QWRGUYRKSA-N 1 3 216.369 1.501 20 0 BDADHO CC[C@H](NC[C@H]([NH3+])CCOC)[C@H]1CCCCO1 ZINC001577176218 993533975 /nfs/dbraw/zinc/53/39/75/993533975.db2.gz WGFWGMXWRYPSHV-FRRDWIJNSA-N 1 3 244.379 1.288 20 0 BDADHO CC[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001577182819 993536197 /nfs/dbraw/zinc/53/61/97/993536197.db2.gz SZDBUPONQGQPQA-AVGNSLFASA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001577182819 993536209 /nfs/dbraw/zinc/53/62/09/993536209.db2.gz SZDBUPONQGQPQA-AVGNSLFASA-N 1 3 226.364 1.208 20 0 BDADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CNC ZINC001577418842 993659168 /nfs/dbraw/zinc/65/91/68/993659168.db2.gz FKLMDUSWWCVSBW-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCOCC1 ZINC000390535810 993796628 /nfs/dbraw/zinc/79/66/28/993796628.db2.gz KBRFUQUYHLYFNH-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)nc(N)n1 ZINC001333601731 994481620 /nfs/dbraw/zinc/48/16/20/994481620.db2.gz JZQHQMCYQHPPPX-MNOVXSKESA-N 1 3 249.362 1.652 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](NCC2(O)CCC2)C12CCC2 ZINC001335531578 994804417 /nfs/dbraw/zinc/80/44/17/994804417.db2.gz VNGOLIKYORZWNK-NEPJUHHUSA-N 1 3 238.375 1.364 20 0 BDADHO C([NH2+][C@H](C1CC1)C1CCC1)[C@H]1CCCN1 ZINC000325083971 490105867 /nfs/dbraw/zinc/10/58/67/490105867.db2.gz ZRQOXLQYFKKVJB-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000062071271 349437550 /nfs/dbraw/zinc/43/75/50/349437550.db2.gz ZYHLZEHWFLKYGJ-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000062071271 349437555 /nfs/dbraw/zinc/43/75/55/349437555.db2.gz ZYHLZEHWFLKYGJ-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300976299 349486510 /nfs/dbraw/zinc/48/65/10/349486510.db2.gz HQSIIRQEPNCFOX-RHYQMDGZSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)on1 ZINC000335397025 178002028 /nfs/dbraw/zinc/00/20/28/178002028.db2.gz RMCKUGSVCQUNSP-TXEJJXNPSA-N 1 3 235.331 1.414 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944068 398160411 /nfs/dbraw/zinc/16/04/11/398160411.db2.gz RKVXBKUNNZGNCA-STQMWFEESA-N 1 3 238.306 1.674 20 0 BDADHO COCC[C@](C)(O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422976806 398161123 /nfs/dbraw/zinc/16/11/23/398161123.db2.gz JBBXVBLYPUBIMM-UPJWGTAASA-N 1 3 244.379 1.024 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761278 398164929 /nfs/dbraw/zinc/16/49/29/398164929.db2.gz DSOJHEDKXKBNDA-IHRRRGAJSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761278 398164930 /nfs/dbraw/zinc/16/49/30/398164930.db2.gz DSOJHEDKXKBNDA-IHRRRGAJSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761278 398164932 /nfs/dbraw/zinc/16/49/32/398164932.db2.gz DSOJHEDKXKBNDA-IHRRRGAJSA-N 1 3 240.391 1.874 20 0 BDADHO c1c[nH]c(C2CCN(C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000649412214 398214395 /nfs/dbraw/zinc/21/43/95/398214395.db2.gz WVNGBMJOUGGOIB-NSHDSACASA-N 1 3 234.347 1.199 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000649413853 398211770 /nfs/dbraw/zinc/21/17/70/398211770.db2.gz MWSCNIXEZNRQCS-ZFWWWQNUSA-N 1 3 247.386 1.540 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)C(C)(C)C)CC1 ZINC000164008514 538931235 /nfs/dbraw/zinc/93/12/35/538931235.db2.gz PKNLEIRDEWKVGN-ZDUSSCGKSA-N 1 3 242.407 1.857 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN(C)C)C1 ZINC000381168024 398231540 /nfs/dbraw/zinc/23/15/40/398231540.db2.gz SUMHOQSWQVGLOW-RWMBFGLXSA-N 1 3 228.380 1.731 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc2c(c1)OCO2 ZINC000258932404 349535987 /nfs/dbraw/zinc/53/59/87/349535987.db2.gz JMTVLQXHCVUPTQ-VXGBXAGGSA-N 1 3 248.326 1.427 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576703096 365662598 /nfs/dbraw/zinc/66/25/98/365662598.db2.gz AMWOUYPHNRKBAS-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO NCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576703096 365662603 /nfs/dbraw/zinc/66/26/03/365662603.db2.gz AMWOUYPHNRKBAS-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000381543972 398262388 /nfs/dbraw/zinc/26/23/88/398262388.db2.gz JIIGLTRAFJCVOM-JHJVBQTASA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000381543972 398262390 /nfs/dbraw/zinc/26/23/90/398262390.db2.gz JIIGLTRAFJCVOM-JHJVBQTASA-N 1 3 208.349 1.718 20 0 BDADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCOC1 ZINC000344330987 365683454 /nfs/dbraw/zinc/68/34/54/365683454.db2.gz OIQVDRRYAOOOLT-KGLIPLIRSA-N 1 3 238.375 1.653 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000180094971 538957534 /nfs/dbraw/zinc/95/75/34/538957534.db2.gz VJEMVTGJPKFKFR-PWSUYJOCSA-N 1 3 248.374 1.853 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040671749 538972329 /nfs/dbraw/zinc/97/23/29/538972329.db2.gz AAUUYEYZWOATCV-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCCN(C)C2)CC1 ZINC000040671749 538972331 /nfs/dbraw/zinc/97/23/31/538972331.db2.gz AAUUYEYZWOATCV-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO COCCCN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500639 536590864 /nfs/dbraw/zinc/59/08/64/536590864.db2.gz FCPMHAXNEHBALT-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1(C)C ZINC000300392916 259326879 /nfs/dbraw/zinc/32/68/79/259326879.db2.gz WCNAWOGZIQSAJG-NOOOWODRSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000300392916 259326880 /nfs/dbraw/zinc/32/68/80/259326880.db2.gz WCNAWOGZIQSAJG-NOOOWODRSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@H]1CCOC1 ZINC000300361420 259326884 /nfs/dbraw/zinc/32/68/84/259326884.db2.gz DLPNGUFMUNWONJ-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC[C@H]1CCOC1 ZINC000300361420 259326885 /nfs/dbraw/zinc/32/68/85/259326885.db2.gz DLPNGUFMUNWONJ-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC[C@H]1CCOC1 ZINC000300361420 259326886 /nfs/dbraw/zinc/32/68/86/259326886.db2.gz DLPNGUFMUNWONJ-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO Nc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000351482148 136246125 /nfs/dbraw/zinc/24/61/25/136246125.db2.gz ZEYLLXFXAUNSGR-FPMFFAJLSA-N 1 3 231.343 1.438 20 0 BDADHO CN1CC=C(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000392917669 398335994 /nfs/dbraw/zinc/33/59/94/398335994.db2.gz CDNPADQLWGJXCY-UHFFFAOYSA-N 1 3 246.354 1.530 20 0 BDADHO COCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917809 398335311 /nfs/dbraw/zinc/33/53/11/398335311.db2.gz XPNLBAOBDMKBDB-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO NC[C@@H]1C[N@H+](CCCCCF)CCCO1 ZINC000313395537 259334436 /nfs/dbraw/zinc/33/44/36/259334436.db2.gz PJINBJWKTMQZJZ-LLVKDONJSA-N 1 3 218.316 1.176 20 0 BDADHO NC[C@@H]1C[N@@H+](CCCCCF)CCCO1 ZINC000313395537 259334437 /nfs/dbraw/zinc/33/44/37/259334437.db2.gz PJINBJWKTMQZJZ-LLVKDONJSA-N 1 3 218.316 1.176 20 0 BDADHO [NH3+]C[C@@H]1CN(CCC2CCCC2)CCCO1 ZINC000313391360 259334277 /nfs/dbraw/zinc/33/42/77/259334277.db2.gz UVJWEAOTHRPQDN-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000234893816 342957467 /nfs/dbraw/zinc/95/74/67/342957467.db2.gz GYNQFGQNEBVTCZ-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000234893438 342957514 /nfs/dbraw/zinc/95/75/14/342957514.db2.gz GYNQFGQNEBVTCZ-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO CC(C)N1CCC([NH2+]Cc2cccn2C)CC1 ZINC000020360442 342983528 /nfs/dbraw/zinc/98/35/28/342983528.db2.gz HSWDSMMNHMXXLV-UHFFFAOYSA-N 1 3 235.375 1.988 20 0 BDADHO CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000308588451 259340038 /nfs/dbraw/zinc/34/00/38/259340038.db2.gz UDPNAGMVFQRCMR-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000565224943 323034385 /nfs/dbraw/zinc/03/43/85/323034385.db2.gz ATVVGTFGULODFO-RYUDHWBXSA-N 1 3 228.380 1.787 20 0 BDADHO CCC(O)(CC)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000565224943 323034386 /nfs/dbraw/zinc/03/43/86/323034386.db2.gz ATVVGTFGULODFO-RYUDHWBXSA-N 1 3 228.380 1.787 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](c2ccccc2)C1 ZINC000576881306 365712826 /nfs/dbraw/zinc/71/28/26/365712826.db2.gz YULQIDGKPCZJJC-CABCVRRESA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881306 365712827 /nfs/dbraw/zinc/71/28/27/365712827.db2.gz YULQIDGKPCZJJC-CABCVRRESA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881306 365712829 /nfs/dbraw/zinc/71/28/29/365712829.db2.gz YULQIDGKPCZJJC-CABCVRRESA-N 1 3 248.370 1.446 20 0 BDADHO [NH3+]CCOCCN1CCc2ccccc2CC1 ZINC000093232489 343151274 /nfs/dbraw/zinc/15/12/74/343151274.db2.gz OMTUKQACYOZPIU-UHFFFAOYSA-N 1 3 234.343 1.063 20 0 BDADHO Cn1nccc1CC[N@@H+]1CC2CCC1(CN)CC2 ZINC000634688293 343246628 /nfs/dbraw/zinc/24/66/28/343246628.db2.gz OBPGPMKAQCTVNH-UHFFFAOYSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1nccc1CC[N@H+]1CC2CCC1(CN)CC2 ZINC000634688293 343246629 /nfs/dbraw/zinc/24/66/29/343246629.db2.gz OBPGPMKAQCTVNH-UHFFFAOYSA-N 1 3 248.374 1.166 20 0 BDADHO C[NH+]1CCC(NC[C@H](O)c2ccccc2)CC1 ZINC000035112653 343284961 /nfs/dbraw/zinc/28/49/61/343284961.db2.gz DGIZFRREMPSBEF-AWEZNQCLSA-N 1 3 234.343 1.404 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOCC(F)(F)F ZINC000084222092 136290867 /nfs/dbraw/zinc/29/08/67/136290867.db2.gz LUSSOFCNCGCDJO-IUCAKERBSA-N 1 3 240.269 1.282 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000084222092 136290868 /nfs/dbraw/zinc/29/08/68/136290868.db2.gz LUSSOFCNCGCDJO-IUCAKERBSA-N 1 3 240.269 1.282 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000035254899 343290860 /nfs/dbraw/zinc/29/08/60/343290860.db2.gz YCXOXIHQOURDBM-ZDUSSCGKSA-N 1 3 247.342 1.439 20 0 BDADHO Cc1nccn1CCC[NH+]1C[C@@H](C)N[C@H](C)C1 ZINC000348756599 136297388 /nfs/dbraw/zinc/29/73/88/136297388.db2.gz PBWRDPRMFGFICB-VXGBXAGGSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@H+]1[C@H](C)CNC[C@@H]1C ZINC000348756156 136297496 /nfs/dbraw/zinc/29/74/96/136297496.db2.gz MLJCDHFRWXQENO-TXEJJXNPSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1[C@H](C)CNC[C@@H]1C ZINC000348756156 136297497 /nfs/dbraw/zinc/29/74/97/136297497.db2.gz MLJCDHFRWXQENO-TXEJJXNPSA-N 1 3 236.363 1.264 20 0 BDADHO COC(C)(C)CNC1CC[NH+](CC2CC2)CC1 ZINC000122196524 343308271 /nfs/dbraw/zinc/30/82/71/343308271.db2.gz ONKVUCJLEXCGKI-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+](C)C ZINC000038089264 343370245 /nfs/dbraw/zinc/37/02/45/343370245.db2.gz INPSIGVZKBUJBA-AAEUAGOBSA-N 1 3 249.358 1.143 20 0 BDADHO c1cncc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335631345 136300491 /nfs/dbraw/zinc/30/04/91/136300491.db2.gz AZCSCEKPRAGRGM-GJZGRUSLSA-N 1 3 245.370 1.903 20 0 BDADHO CCc1cnc(CNCC[C@@H]2CC[NH2+]C2)s1 ZINC000234222002 343374258 /nfs/dbraw/zinc/37/42/58/343374258.db2.gz PPGAUNWUXRRMBU-JTQLQIEISA-N 1 3 239.388 1.795 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393910621 259358908 /nfs/dbraw/zinc/35/89/08/259358908.db2.gz BJZBRVIRAMHDRS-RGOKHQFPSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393910621 259358911 /nfs/dbraw/zinc/35/89/11/259358911.db2.gz BJZBRVIRAMHDRS-RGOKHQFPSA-N 1 3 218.291 1.570 20 0 BDADHO CC[NH+](CC)Cc1ccccc1CNC(=O)CN ZINC000040855587 343409979 /nfs/dbraw/zinc/40/99/79/343409979.db2.gz QQGVIWQHGZWVNO-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO C[C@H]1OCC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335854130 136355703 /nfs/dbraw/zinc/35/57/03/136355703.db2.gz VTOGQOSFSVYIPY-RYSNWHEDSA-N 1 3 238.375 1.770 20 0 BDADHO COCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247977548 136373561 /nfs/dbraw/zinc/37/35/61/136373561.db2.gz HZDYTZCEUBXQIZ-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO COCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247977548 136373562 /nfs/dbraw/zinc/37/35/62/136373562.db2.gz HZDYTZCEUBXQIZ-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000049557623 343602734 /nfs/dbraw/zinc/60/27/34/343602734.db2.gz JRBNXPKVRZUDQU-NSHDSACASA-N 1 3 249.358 1.215 20 0 BDADHO CCCCN(CCO)C[C@H]1CCC[NH2+]C1 ZINC000087647801 343656293 /nfs/dbraw/zinc/65/62/93/343656293.db2.gz BLVFEYFFQZCQSS-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CCCC[N@H+](CCO)C[C@H]1CCCNC1 ZINC000087647801 343656297 /nfs/dbraw/zinc/65/62/97/343656297.db2.gz BLVFEYFFQZCQSS-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CCCC[N@@H+](CCO)C[C@H]1CCCNC1 ZINC000087647801 343656299 /nfs/dbraw/zinc/65/62/99/343656299.db2.gz BLVFEYFFQZCQSS-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO COCC[C@H](C)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782927 343904711 /nfs/dbraw/zinc/90/47/11/343904711.db2.gz UZMFPIIKNPWEJW-QJPTWQEYSA-N 1 3 212.337 1.225 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC(C)(C)CC1 ZINC000381162676 344073954 /nfs/dbraw/zinc/07/39/54/344073954.db2.gz RTDJZAAHNXJNCB-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC(C)(C)CC1 ZINC000381162676 344073957 /nfs/dbraw/zinc/07/39/57/344073957.db2.gz RTDJZAAHNXJNCB-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO COC[C@@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733426 344113168 /nfs/dbraw/zinc/11/31/68/344113168.db2.gz FNTXKMVZKZNGEX-RYUDHWBXSA-N 1 3 228.380 1.637 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC2=CCCOC2)C1 ZINC000634733320 344113178 /nfs/dbraw/zinc/11/31/78/344113178.db2.gz CORYFENORNTVSM-CYBMUJFWSA-N 1 3 238.375 1.701 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000634733676 344114035 /nfs/dbraw/zinc/11/40/35/344114035.db2.gz KXYPYDSYXXIGAO-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCSC3)CC[N@@H+]2C1 ZINC000130142150 344218961 /nfs/dbraw/zinc/21/89/61/344218961.db2.gz SDIQOBDQBHHNPB-QJPTWQEYSA-N 1 3 226.389 1.708 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCSC3)CC[N@H+]2C1 ZINC000130142150 344218962 /nfs/dbraw/zinc/21/89/62/344218962.db2.gz SDIQOBDQBHHNPB-QJPTWQEYSA-N 1 3 226.389 1.708 20 0 BDADHO CCN(Cc1cnn(C)c1)CC1CC[NH2+]CC1 ZINC000094011144 344325053 /nfs/dbraw/zinc/32/50/53/344325053.db2.gz OQGDWNXPHIAJSU-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000382006633 347054299 /nfs/dbraw/zinc/05/42/99/347054299.db2.gz BHJHPNKJPYHSFC-JXUBOQSCSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000382006633 347054303 /nfs/dbraw/zinc/05/43/03/347054303.db2.gz BHJHPNKJPYHSFC-JXUBOQSCSA-N 1 3 218.291 1.712 20 0 BDADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CNC ZINC000037812240 344591080 /nfs/dbraw/zinc/59/10/80/344591080.db2.gz WCVSHWHBFIVKJQ-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO COc1ccc(CN2CCC(CC[NH3+])CC2)cn1 ZINC000158324878 344597057 /nfs/dbraw/zinc/59/70/57/344597057.db2.gz KYOPFMSMLXNXPG-UHFFFAOYSA-N 1 3 249.358 1.651 20 0 BDADHO COC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000049332224 344618551 /nfs/dbraw/zinc/61/85/51/344618551.db2.gz QWIZVXLTFUFZGH-LLVKDONJSA-N 1 3 200.326 1.097 20 0 BDADHO COC[C@@H](C)NCCC[NH+]1CCCC1 ZINC000049332224 344618553 /nfs/dbraw/zinc/61/85/53/344618553.db2.gz QWIZVXLTFUFZGH-LLVKDONJSA-N 1 3 200.326 1.097 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]C1CCN(C)CC1 ZINC000049551827 344652998 /nfs/dbraw/zinc/65/29/98/344652998.db2.gz QCLBXTJZAKRRCE-NSHDSACASA-N 1 3 213.369 1.010 20 0 BDADHO [NH3+][C@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000050227975 344659457 /nfs/dbraw/zinc/65/94/57/344659457.db2.gz UYCYGECWSULEDD-GJZGRUSLSA-N 1 3 245.370 1.294 20 0 BDADHO CSCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128043605 344725088 /nfs/dbraw/zinc/72/50/88/344725088.db2.gz UDCNLRBJXQEVKE-WDEREUQCSA-N 1 3 214.378 1.566 20 0 BDADHO CSCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128043605 344725090 /nfs/dbraw/zinc/72/50/90/344725090.db2.gz UDCNLRBJXQEVKE-WDEREUQCSA-N 1 3 214.378 1.566 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069039 537871202 /nfs/dbraw/zinc/87/12/02/537871202.db2.gz UJZVDLDKDHHOBS-XUXIUFHCSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069039 537871209 /nfs/dbraw/zinc/87/12/09/537871209.db2.gz UJZVDLDKDHHOBS-XUXIUFHCSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000339069039 537871218 /nfs/dbraw/zinc/87/12/18/537871218.db2.gz UJZVDLDKDHHOBS-XUXIUFHCSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@]1(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCS1 ZINC000628177679 344907067 /nfs/dbraw/zinc/90/70/67/344907067.db2.gz JWCQXIZFJYFAIU-XQQFMLRXSA-N 1 3 240.416 1.956 20 0 BDADHO C[C@@]1(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCCS1 ZINC000628177679 344907069 /nfs/dbraw/zinc/90/70/69/344907069.db2.gz JWCQXIZFJYFAIU-XQQFMLRXSA-N 1 3 240.416 1.956 20 0 BDADHO CCN1CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000355569563 345025757 /nfs/dbraw/zinc/02/57/57/345025757.db2.gz RDTBRJDFARILGS-UHFFFAOYSA-N 1 3 237.391 1.322 20 0 BDADHO CC[NH+]1CCC(NCCN2CC=CCC2)CC1 ZINC000355569563 345025759 /nfs/dbraw/zinc/02/57/59/345025759.db2.gz RDTBRJDFARILGS-UHFFFAOYSA-N 1 3 237.391 1.322 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000155679100 345095991 /nfs/dbraw/zinc/09/59/91/345095991.db2.gz OQKSSRZMUJCFNW-RYUDHWBXSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000155679100 345095993 /nfs/dbraw/zinc/09/59/93/345095993.db2.gz OQKSSRZMUJCFNW-RYUDHWBXSA-N 1 3 243.395 1.208 20 0 BDADHO C(CN1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155812036 345106099 /nfs/dbraw/zinc/10/60/99/345106099.db2.gz KJPGZQRINNWLQT-ZIAGYGMSSA-N 1 3 237.391 1.299 20 0 BDADHO C(CN1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155812036 345106101 /nfs/dbraw/zinc/10/61/01/345106101.db2.gz KJPGZQRINNWLQT-ZIAGYGMSSA-N 1 3 237.391 1.299 20 0 BDADHO C[C@]1([NH2+]CC23CC(C2)CN3)CC=CCC1 ZINC000634996834 345184402 /nfs/dbraw/zinc/18/44/02/345184402.db2.gz WPDULQZZBIBXPX-CPCZMJQVSA-N 1 3 206.333 1.827 20 0 BDADHO C[C@]1(NCC23CC(C2)C[NH2+]3)CC=CCC1 ZINC000634996834 345184404 /nfs/dbraw/zinc/18/44/04/345184404.db2.gz WPDULQZZBIBXPX-CPCZMJQVSA-N 1 3 206.333 1.827 20 0 BDADHO OCCC1(C[NH2+]CC23CC(C2)CN3)CCCC1 ZINC000634995417 345184648 /nfs/dbraw/zinc/18/46/48/345184648.db2.gz DJPMQQWYEQKGQJ-UHFFFAOYSA-N 1 3 238.375 1.271 20 0 BDADHO CC[C@@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCCO1 ZINC000634996078 345186980 /nfs/dbraw/zinc/18/69/80/345186980.db2.gz YVLODTCFNZIQTH-QZQSVVMZSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H](CCO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156138510 345127375 /nfs/dbraw/zinc/12/73/75/345127375.db2.gz LQJZEYHAOWBMNM-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156138510 345127377 /nfs/dbraw/zinc/12/73/77/345127377.db2.gz LQJZEYHAOWBMNM-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156138510 345127379 /nfs/dbraw/zinc/12/73/79/345127379.db2.gz LQJZEYHAOWBMNM-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO OC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000156116866 345129125 /nfs/dbraw/zinc/12/91/25/345129125.db2.gz BEQLPIWTWJNSJZ-QWHCGFSZSA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000156116866 345129126 /nfs/dbraw/zinc/12/91/26/345129126.db2.gz BEQLPIWTWJNSJZ-QWHCGFSZSA-N 1 3 238.375 1.508 20 0 BDADHO CN(C)C1CC[NH+](CCCCCO)CC1 ZINC000051019851 345194879 /nfs/dbraw/zinc/19/48/79/345194879.db2.gz DGCKAOUNDIQNTG-UHFFFAOYSA-N 1 3 214.353 1.175 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H](C)C[C@H](C)N ZINC000635006050 345210859 /nfs/dbraw/zinc/21/08/59/345210859.db2.gz XFTSEWXDMVMKTB-HBNTYKKESA-N 1 3 202.342 1.253 20 0 BDADHO CC(C)[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009458 345211984 /nfs/dbraw/zinc/21/19/84/345211984.db2.gz NHBUXGSZVYCACP-LBPRGKRZSA-N 1 3 248.374 1.948 20 0 BDADHO N[C@H](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000635010139 345212184 /nfs/dbraw/zinc/21/21/84/345212184.db2.gz YOFXFUHQQDRXBB-CQSZACIVSA-N 1 3 248.370 1.715 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635011884 345213711 /nfs/dbraw/zinc/21/37/11/345213711.db2.gz PXACSZVVTSTCSF-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CNc2ccccc21)C1CNC1 ZINC000635007874 345215290 /nfs/dbraw/zinc/21/52/90/345215290.db2.gz QCSNHNPGXVDEHB-RYUDHWBXSA-N 1 3 245.370 1.783 20 0 BDADHO C[C@H](NCC[C@H]1CNc2ccccc21)C1C[NH2+]C1 ZINC000635007874 345215293 /nfs/dbraw/zinc/21/52/93/345215293.db2.gz QCSNHNPGXVDEHB-RYUDHWBXSA-N 1 3 245.370 1.783 20 0 BDADHO CSCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000229209198 345452762 /nfs/dbraw/zinc/45/27/62/345452762.db2.gz LKTXRHXXOPQOJW-WDEREUQCSA-N 1 3 216.394 1.847 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCCO)[C@H](C)C1 ZINC000081096918 345465131 /nfs/dbraw/zinc/46/51/31/345465131.db2.gz MBOCNAUSLMOGIJ-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCCO)[C@H](C)C1 ZINC000081096918 345465132 /nfs/dbraw/zinc/46/51/32/345465132.db2.gz MBOCNAUSLMOGIJ-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC1([NH2+]Cc2ccccc2)CCNCC1 ZINC000147735972 345718373 /nfs/dbraw/zinc/71/83/73/345718373.db2.gz PNKHRWCLZINSCF-UHFFFAOYSA-N 1 3 204.317 1.918 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159980713 345769629 /nfs/dbraw/zinc/76/96/29/345769629.db2.gz XPNRCKVGFIECDV-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159980713 345769632 /nfs/dbraw/zinc/76/96/32/345769632.db2.gz XPNRCKVGFIECDV-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000562959370 345840246 /nfs/dbraw/zinc/84/02/46/345840246.db2.gz GPNFCIHYIISMAL-DGCLKSJQSA-N 1 3 222.332 1.848 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)o1 ZINC000562959370 345840249 /nfs/dbraw/zinc/84/02/49/345840249.db2.gz GPNFCIHYIISMAL-DGCLKSJQSA-N 1 3 222.332 1.848 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC1C[NH2+]C1 ZINC000307654538 345878181 /nfs/dbraw/zinc/87/81/81/345878181.db2.gz MRZMLAYKNHIFNP-IUODEOHRSA-N 1 3 245.370 1.068 20 0 BDADHO C[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000051822138 346090703 /nfs/dbraw/zinc/09/07/03/346090703.db2.gz QWCPPINYDBGYDO-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000051822138 346090706 /nfs/dbraw/zinc/09/07/06/346090706.db2.gz QWCPPINYDBGYDO-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000051822139 346090750 /nfs/dbraw/zinc/09/07/50/346090750.db2.gz QWCPPINYDBGYDO-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000051822139 346090751 /nfs/dbraw/zinc/09/07/51/346090751.db2.gz QWCPPINYDBGYDO-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)NCC(C)C ZINC000641770922 362708529 /nfs/dbraw/zinc/70/85/29/362708529.db2.gz ABBIUVGHXHUFMB-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO CC[C@@H](C)CN[C@@H](CO)CC[NH+](CC)CC ZINC000641773663 362713133 /nfs/dbraw/zinc/71/31/33/362713133.db2.gz ZAXWPYRJICBPDS-CHWSQXEVSA-N 1 3 230.396 1.715 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419202146 192102631 /nfs/dbraw/zinc/10/26/31/192102631.db2.gz GFGHVAMDIGXIKM-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419202146 192102633 /nfs/dbraw/zinc/10/26/33/192102633.db2.gz GFGHVAMDIGXIKM-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO c1n[nH]cc1CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000641798268 362743446 /nfs/dbraw/zinc/74/34/46/362743446.db2.gz DHNPFTWLMXSXNR-KGLIPLIRSA-N 1 3 248.374 1.416 20 0 BDADHO CN(CCN[C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801842 362757664 /nfs/dbraw/zinc/75/76/64/362757664.db2.gz FRFFKYJQMZHHTD-KGLIPLIRSA-N 1 3 247.386 1.838 20 0 BDADHO CN(CC[NH2+][C@H]1C[C@@H](N)C1(C)C)c1ccccc1 ZINC000641801842 362757668 /nfs/dbraw/zinc/75/76/68/362757668.db2.gz FRFFKYJQMZHHTD-KGLIPLIRSA-N 1 3 247.386 1.838 20 0 BDADHO C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000641802123 362758022 /nfs/dbraw/zinc/75/80/22/362758022.db2.gz XVRWGXVGLIGLOX-RYUDHWBXSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000641802123 362758026 /nfs/dbraw/zinc/75/80/26/362758026.db2.gz XVRWGXVGLIGLOX-RYUDHWBXSA-N 1 3 238.375 1.770 20 0 BDADHO CC1(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000622004117 370652398 /nfs/dbraw/zinc/65/23/98/370652398.db2.gz KOBCUQOJUAOGIC-WCQYABFASA-N 1 3 208.349 1.990 20 0 BDADHO Cc1cccc(OCC[NH2+]C2CCNCC2)c1 ZINC000042895619 179168504 /nfs/dbraw/zinc/16/85/04/179168504.db2.gz QDTMJTXDTNBWDF-UHFFFAOYSA-N 1 3 234.343 1.715 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CCSC1)C2 ZINC000622004899 370655683 /nfs/dbraw/zinc/65/56/83/370655683.db2.gz WEEJOJWXRHUDEU-WOPDTQHZSA-N 1 3 226.389 1.553 20 0 BDADHO CCCC[C@H](CC)NC[C@H]1C[NH2+]C[C@H]1O ZINC000309839846 347182613 /nfs/dbraw/zinc/18/26/13/347182613.db2.gz ODPSDEUWSJJRNF-GRYCIOLGSA-N 1 3 214.353 1.125 20 0 BDADHO CCCC[C@H](CC)[NH2+]C[C@H]1CNC[C@H]1O ZINC000309839846 347182618 /nfs/dbraw/zinc/18/26/18/347182618.db2.gz ODPSDEUWSJJRNF-GRYCIOLGSA-N 1 3 214.353 1.125 20 0 BDADHO CN1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250603041 537987999 /nfs/dbraw/zinc/98/79/99/537987999.db2.gz KOMYMQCDAUTKKJ-RDBSUJKOSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250603041 537988007 /nfs/dbraw/zinc/98/80/07/537988007.db2.gz KOMYMQCDAUTKKJ-RDBSUJKOSA-N 1 3 237.391 1.297 20 0 BDADHO C[C@H](O)[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000305630848 323171243 /nfs/dbraw/zinc/17/12/43/323171243.db2.gz MLCMERUGQGCOQA-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000305630848 323171244 /nfs/dbraw/zinc/17/12/44/323171244.db2.gz MLCMERUGQGCOQA-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H](C[N@H+](C)CCCN1CCCC1)OC ZINC000419288914 192118148 /nfs/dbraw/zinc/11/81/48/192118148.db2.gz IIJOQVOJCSPJOF-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CC[C@@H](C[N@@H+](C)CCCN1CCCC1)OC ZINC000419288914 192118149 /nfs/dbraw/zinc/11/81/49/192118149.db2.gz IIJOQVOJCSPJOF-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CC(C)OCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491357 362915659 /nfs/dbraw/zinc/91/56/59/362915659.db2.gz QYDUMFDGFROAFG-LBPRGKRZSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)OCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491357 362915661 /nfs/dbraw/zinc/91/56/61/362915661.db2.gz QYDUMFDGFROAFG-LBPRGKRZSA-N 1 3 228.380 1.874 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497128 362921027 /nfs/dbraw/zinc/92/10/27/362921027.db2.gz YEHJCAWXROBTPW-QJPTWQEYSA-N 1 3 240.391 1.608 20 0 BDADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497128 362921031 /nfs/dbraw/zinc/92/10/31/362921031.db2.gz YEHJCAWXROBTPW-QJPTWQEYSA-N 1 3 240.391 1.608 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000449608667 201983159 /nfs/dbraw/zinc/98/31/59/201983159.db2.gz JJJZBMRTBHHSIP-ZDUSSCGKSA-N 1 3 249.358 1.215 20 0 BDADHO C[C@H](c1cnccn1)N1CCC[C@H](CC[NH3+])C1 ZINC000070480065 350014799 /nfs/dbraw/zinc/01/47/99/350014799.db2.gz HNBYZAOTZSSICC-VXGBXAGGSA-N 1 3 234.347 1.598 20 0 BDADHO C[C@@H](c1cnccn1)N1CCC(CC[NH3+])CC1 ZINC000070480074 350014896 /nfs/dbraw/zinc/01/48/96/350014896.db2.gz JQLYRSDCZRFONJ-NSHDSACASA-N 1 3 234.347 1.598 20 0 BDADHO C[NH2+]CCCN1CCc2ccccc2CC1 ZINC000070620769 350030281 /nfs/dbraw/zinc/03/02/81/350030281.db2.gz IADVZBVJDQKGLW-UHFFFAOYSA-N 1 3 218.344 1.697 20 0 BDADHO C[C@@H](C[NH2+]Cc1cccc2n[nH]cc21)CN(C)C ZINC000623530370 362949650 /nfs/dbraw/zinc/94/96/50/362949650.db2.gz VZBQQGHEBNOPBC-NSHDSACASA-N 1 3 246.358 1.850 20 0 BDADHO C[C@@H](CNCc1cccc2n[nH]cc21)C[NH+](C)C ZINC000623530370 362949653 /nfs/dbraw/zinc/94/96/53/362949653.db2.gz VZBQQGHEBNOPBC-NSHDSACASA-N 1 3 246.358 1.850 20 0 BDADHO CCN(C)CC[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422722521 192442441 /nfs/dbraw/zinc/44/24/41/192442441.db2.gz YGAKNUAGHYIKAT-DZGCQCFKSA-N 1 3 249.402 1.486 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000132374244 191030353 /nfs/dbraw/zinc/03/03/53/191030353.db2.gz UQSGAVUCFNJFBO-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000132374244 191030356 /nfs/dbraw/zinc/03/03/56/191030356.db2.gz UQSGAVUCFNJFBO-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525764 350236670 /nfs/dbraw/zinc/23/66/70/350236670.db2.gz DMQJQCHNVTZWIZ-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083525764 350236673 /nfs/dbraw/zinc/23/66/73/350236673.db2.gz DMQJQCHNVTZWIZ-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000083525764 350236675 /nfs/dbraw/zinc/23/66/75/350236675.db2.gz DMQJQCHNVTZWIZ-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422775634 192463393 /nfs/dbraw/zinc/46/33/93/192463393.db2.gz AWEDGEJEDQOJFC-ZGVCCVRISA-N 1 3 226.364 1.530 20 0 BDADHO Cc1ncsc1CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000228079815 180308675 /nfs/dbraw/zinc/30/86/75/180308675.db2.gz SXLOFNQZYGEJKN-MWLCHTKSSA-N 1 3 239.388 1.663 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2COc3ccccc3C2)C1 ZINC000328144067 350376662 /nfs/dbraw/zinc/37/66/62/350376662.db2.gz RCVBJMBTLVVSTK-RDBSUJKOSA-N 1 3 246.354 1.850 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCC[C@@H]2O)CC[C@H]1[NH3+] ZINC000328218633 350393803 /nfs/dbraw/zinc/39/38/03/350393803.db2.gz XRXZPDBSYHRCPX-XQHKEYJVSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@H]1N ZINC000328218633 350393805 /nfs/dbraw/zinc/39/38/05/350393805.db2.gz XRXZPDBSYHRCPX-XQHKEYJVSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@H]1N ZINC000328218633 350393806 /nfs/dbraw/zinc/39/38/06/350393806.db2.gz XRXZPDBSYHRCPX-XQHKEYJVSA-N 1 3 226.364 1.207 20 0 BDADHO Cc1ncsc1C[NH2+][C@H](C)CCN(C)C ZINC000084149337 180322689 /nfs/dbraw/zinc/32/26/89/180322689.db2.gz MMQXVDWDGUMSAH-SECBINFHSA-N 1 3 227.377 1.881 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCOC1 ZINC000132248603 191101887 /nfs/dbraw/zinc/10/18/87/191101887.db2.gz YBMINTWUQYJWDN-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCOC1CC(NCCC[NH+](CC)CC)C1 ZINC000162771457 350423515 /nfs/dbraw/zinc/42/35/15/350423515.db2.gz OCXMXZOSVFTJBF-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO CCOC1CC([NH2+]CCCN(CC)CC)C1 ZINC000162771457 350423518 /nfs/dbraw/zinc/42/35/18/350423518.db2.gz OCXMXZOSVFTJBF-UHFFFAOYSA-N 1 3 228.380 1.875 20 0 BDADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248499333 191108288 /nfs/dbraw/zinc/10/82/88/191108288.db2.gz SAQSZIBOWJSVDB-SDDRHHMPSA-N 1 3 243.395 1.062 20 0 BDADHO C[C@@H]1C[C@H](NCc2cc[nH]c2)CC[N@@H+]1C ZINC000094755099 350607501 /nfs/dbraw/zinc/60/75/01/350607501.db2.gz BGZZXNKGLNADOO-ZYHUDNBSSA-N 1 3 207.321 1.587 20 0 BDADHO C[C@@H]1C[C@H](NCc2cc[nH]c2)CC[N@H+]1C ZINC000094755099 350607503 /nfs/dbraw/zinc/60/75/03/350607503.db2.gz BGZZXNKGLNADOO-ZYHUDNBSSA-N 1 3 207.321 1.587 20 0 BDADHO C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)[C@@H](C)O1 ZINC000384942448 350651141 /nfs/dbraw/zinc/65/11/41/350651141.db2.gz QWDAXPRWJVOJOS-IJLUTSLNSA-N 1 3 228.380 1.730 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220958240 535150665 /nfs/dbraw/zinc/15/06/65/535150665.db2.gz LNSQVRFMNHHJOJ-BFHYXJOUSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220958240 535150666 /nfs/dbraw/zinc/15/06/66/535150666.db2.gz LNSQVRFMNHHJOJ-BFHYXJOUSA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558886 362981222 /nfs/dbraw/zinc/98/12/22/362981222.db2.gz MDFHKLQHUSSYIB-UTUOFQBUSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558886 362981227 /nfs/dbraw/zinc/98/12/27/362981227.db2.gz MDFHKLQHUSSYIB-UTUOFQBUSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558887 362980612 /nfs/dbraw/zinc/98/06/12/362980612.db2.gz MDFHKLQHUSSYIB-WOPDTQHZSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558887 362980617 /nfs/dbraw/zinc/98/06/17/362980617.db2.gz MDFHKLQHUSSYIB-WOPDTQHZSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253029907 535158391 /nfs/dbraw/zinc/15/83/91/535158391.db2.gz QPTMQSPCGKCMGM-AAVRWANBSA-N 1 3 240.391 1.514 20 0 BDADHO Cc1nc(C)c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000628327195 351263707 /nfs/dbraw/zinc/26/37/07/351263707.db2.gz MUIBDRGRYOWTSL-TXEJJXNPSA-N 1 3 237.347 1.721 20 0 BDADHO CCN[C@H](C)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000637808962 351645105 /nfs/dbraw/zinc/64/51/05/351645105.db2.gz NOBWYVZNVJXJDL-LLVKDONJSA-N 1 3 249.358 1.733 20 0 BDADHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CCC(C)C ZINC000637840614 351695554 /nfs/dbraw/zinc/69/55/54/351695554.db2.gz POGLVSITLSYGCL-LLVKDONJSA-N 1 3 243.395 1.384 20 0 BDADHO C[NH+](C)CC1CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000637907261 351777076 /nfs/dbraw/zinc/77/70/76/351777076.db2.gz KEEGJDKMLVUFCR-UHFFFAOYSA-N 1 3 249.358 1.561 20 0 BDADHO CCN[C@H](C)C(=O)NCCCC[NH+](CC)CC ZINC000638066643 351938641 /nfs/dbraw/zinc/93/86/41/351938641.db2.gz JMOCEFNXICSOGN-GFCCVEGCSA-N 1 3 243.395 1.223 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000638084419 351960010 /nfs/dbraw/zinc/96/00/10/351960010.db2.gz LJBXYHPAWVMSAG-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638197409 352059206 /nfs/dbraw/zinc/05/92/06/352059206.db2.gz JOMMECPTMKDSOO-TUAOUCFPSA-N 1 3 241.379 1.136 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638381002 352191159 /nfs/dbraw/zinc/19/11/59/352191159.db2.gz HCINXGGAFNTFPG-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000638409279 352218725 /nfs/dbraw/zinc/21/87/25/352218725.db2.gz OHSXSDFNPPWNSS-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CNC[C@H](OC)C2CC2)C1 ZINC000638452419 352262789 /nfs/dbraw/zinc/26/27/89/352262789.db2.gz YXXQLEDBIUYAGS-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CCC[C@@H](CNC[C@H](OC)C2CC2)C1 ZINC000638452419 352262793 /nfs/dbraw/zinc/26/27/93/352262793.db2.gz YXXQLEDBIUYAGS-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(F)c1N ZINC000638466242 352277812 /nfs/dbraw/zinc/27/78/12/352277812.db2.gz IGTBRLVMHIDKHI-JTQLQIEISA-N 1 3 239.338 1.838 20 0 BDADHO CCN(CC[NH3+])C(=O)C[C@H]1NCc2ccccc21 ZINC000638512771 352339369 /nfs/dbraw/zinc/33/93/69/352339369.db2.gz MJKZUXZORVFAEN-CYBMUJFWSA-N 1 3 247.342 1.028 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000412037859 191247534 /nfs/dbraw/zinc/24/75/34/191247534.db2.gz NHSRSXIPWPCBBL-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000412037859 191247536 /nfs/dbraw/zinc/24/75/36/191247536.db2.gz NHSRSXIPWPCBBL-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215255 352814133 /nfs/dbraw/zinc/81/41/33/352814133.db2.gz UGUUNNWUDGBBCZ-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215255 352814136 /nfs/dbraw/zinc/81/41/36/352814136.db2.gz UGUUNNWUDGBBCZ-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)N(CC[NH2+][C@H]1CN(C)C[C@H]1C)C(C)C ZINC000342852768 352874834 /nfs/dbraw/zinc/87/48/34/352874834.db2.gz RTHXDQYYVXHYCO-KGLIPLIRSA-N 1 3 241.423 1.645 20 0 BDADHO C[N@H+]1CC=C(CNCc2cccc(F)c2N)CC1 ZINC000638838050 353022363 /nfs/dbraw/zinc/02/23/63/353022363.db2.gz CBNLQZTVQMLANA-UHFFFAOYSA-N 1 3 249.333 1.759 20 0 BDADHO C[N@@H+]1CC=C(CNCc2cccc(F)c2N)CC1 ZINC000638838050 353022366 /nfs/dbraw/zinc/02/23/66/353022366.db2.gz CBNLQZTVQMLANA-UHFFFAOYSA-N 1 3 249.333 1.759 20 0 BDADHO CCC1([NH+](C)C)CCN(C(=O)C(C)(C)N)CC1 ZINC000638975717 353181038 /nfs/dbraw/zinc/18/10/38/353181038.db2.gz NZQQWLZCOMXOBP-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C2CCC2)CC1 ZINC000336894413 188255971 /nfs/dbraw/zinc/25/59/71/188255971.db2.gz LXOFUNITIYOKAE-CYBMUJFWSA-N 1 3 239.407 1.530 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCCOC1 ZINC000126797920 188258112 /nfs/dbraw/zinc/25/81/12/188258112.db2.gz KCHNGLLKAJYCLZ-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000343273517 353302287 /nfs/dbraw/zinc/30/22/87/353302287.db2.gz YEDFAKQPIGBWDK-DYEKYZERSA-N 1 3 237.391 1.010 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](C)CO)C1 ZINC000678044923 538114937 /nfs/dbraw/zinc/11/49/37/538114937.db2.gz VRRWUIXXWRQVJO-QWHCGFSZSA-N 1 3 228.380 1.279 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C)CO)C1 ZINC000678044923 538114938 /nfs/dbraw/zinc/11/49/38/538114938.db2.gz VRRWUIXXWRQVJO-QWHCGFSZSA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678044923 538114939 /nfs/dbraw/zinc/11/49/39/538114939.db2.gz VRRWUIXXWRQVJO-QWHCGFSZSA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678044923 538114940 /nfs/dbraw/zinc/11/49/40/538114940.db2.gz VRRWUIXXWRQVJO-QWHCGFSZSA-N 1 3 228.380 1.279 20 0 BDADHO C1CC([NH+]2CCC(N[C@@H]3CCOC3)CC2)C1 ZINC000335607831 188338745 /nfs/dbraw/zinc/33/87/45/188338745.db2.gz LNCBMOINJOGKAH-GFCCVEGCSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000336774699 188360520 /nfs/dbraw/zinc/36/05/20/188360520.db2.gz XDUYGMMSNYDTNQ-GFCCVEGCSA-N 1 3 228.380 1.610 20 0 BDADHO C(C1CC1)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000042491258 188397173 /nfs/dbraw/zinc/39/71/73/188397173.db2.gz DCXFOENXZGGJLQ-AWEZNQCLSA-N 1 3 237.391 1.014 20 0 BDADHO C(CN1CCO[C@@H]2CCC[C@@H]21)C1CC[NH2+]CC1 ZINC000043425690 188397395 /nfs/dbraw/zinc/39/73/95/188397395.db2.gz RDXMTKJGSMBUBN-UONOGXRCSA-N 1 3 238.375 1.629 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000231347149 353595415 /nfs/dbraw/zinc/59/54/15/353595415.db2.gz MNZUIWMKZQMCCZ-AXFHLTTASA-N 1 3 214.378 1.599 20 0 BDADHO CC(C)COCCN1CCCC[C@@H]1CC[NH3+] ZINC000232657332 353745524 /nfs/dbraw/zinc/74/55/24/353745524.db2.gz ZDKLBYJSAPFWSX-CYBMUJFWSA-N 1 3 228.380 1.862 20 0 BDADHO CCN(CC[NH2+][C@@H]1CN(CC)C[C@@H]1C)C(C)C ZINC000343907992 354036626 /nfs/dbraw/zinc/03/66/26/354036626.db2.gz GYKIPJIGCZZOBM-UONOGXRCSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@](C)(CN(C)CCC[NH+](C)C)OC ZINC000639167695 354038993 /nfs/dbraw/zinc/03/89/93/354038993.db2.gz JPVZIHWOBDWIBR-GFCCVEGCSA-N 1 3 216.369 1.685 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000344300748 354212138 /nfs/dbraw/zinc/21/21/38/354212138.db2.gz QFZFJODDUSWQPU-AWEZNQCLSA-N 1 3 240.391 1.899 20 0 BDADHO CCN(CCC[NH+](C)C)C[C@H](OC)C1CC1 ZINC000639175986 354212807 /nfs/dbraw/zinc/21/28/07/354212807.db2.gz SPIGOPOTMLFIND-ZDUSSCGKSA-N 1 3 228.380 1.685 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000334760842 354580954 /nfs/dbraw/zinc/58/09/54/354580954.db2.gz PVPOZOFCYMTDTO-LBPRGKRZSA-N 1 3 248.374 1.341 20 0 BDADHO Cc1cnccc1N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335080234 354642382 /nfs/dbraw/zinc/64/23/82/354642382.db2.gz WDGDEYBSFZQNEC-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cnccc1N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000335080234 354642386 /nfs/dbraw/zinc/64/23/86/354642386.db2.gz WDGDEYBSFZQNEC-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1c[nH+]ccc1N1CCC[C@H]2CN(C)C[C@H]21 ZINC000335080234 354642388 /nfs/dbraw/zinc/64/23/88/354642388.db2.gz WDGDEYBSFZQNEC-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO CC(C)[N@H+](C[C@@H](C)O)C[C@H]1CCCNC1 ZINC000232671213 363378679 /nfs/dbraw/zinc/37/86/79/363378679.db2.gz ZEILZACDJMXSQA-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+](C[C@@H](C)O)C[C@H]1CCCNC1 ZINC000232671213 363378680 /nfs/dbraw/zinc/37/86/80/363378680.db2.gz ZEILZACDJMXSQA-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)N(C[C@@H](C)O)C[C@H]1CCC[NH2+]C1 ZINC000232671213 363378684 /nfs/dbraw/zinc/37/86/84/363378684.db2.gz ZEILZACDJMXSQA-NEPJUHHUSA-N 1 3 214.353 1.077 20 0 BDADHO CCCCOCCN1CC[C@@](C)(C[NH3+])C1 ZINC000232987293 363390992 /nfs/dbraw/zinc/39/09/92/363390992.db2.gz VAAFPPUHHRWUOK-LBPRGKRZSA-N 1 3 214.353 1.474 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942953 134018284 /nfs/dbraw/zinc/01/82/84/134018284.db2.gz UQJHZRCLMFYFMM-DKNRTOFZSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](CNC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000346000986 354837127 /nfs/dbraw/zinc/83/71/27/354837127.db2.gz BVRCKROUPYLCER-VHDGCEQUSA-N 1 3 248.370 1.350 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)C1(C)C ZINC000233745469 363407694 /nfs/dbraw/zinc/40/76/94/363407694.db2.gz NQRLZTZMHOHKKL-HBNTYKKESA-N 1 3 214.353 1.374 20 0 BDADHO Cc1c[nH+]ccc1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000335165902 354922873 /nfs/dbraw/zinc/92/28/73/354922873.db2.gz KNPKHUGQMYYIRB-NEPJUHHUSA-N 1 3 231.343 1.849 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000335238121 355100202 /nfs/dbraw/zinc/10/02/02/355100202.db2.gz LTEIBPDBCUFTIM-LLVKDONJSA-N 1 3 233.315 1.002 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)OC ZINC000412975275 191347518 /nfs/dbraw/zinc/34/75/18/191347518.db2.gz FAUBFMJPSGBORE-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)OC ZINC000412975275 191347521 /nfs/dbraw/zinc/34/75/21/191347521.db2.gz FAUBFMJPSGBORE-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)OC ZINC000412975275 191347523 /nfs/dbraw/zinc/34/75/23/191347523.db2.gz FAUBFMJPSGBORE-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)OC ZINC000412975275 191347525 /nfs/dbraw/zinc/34/75/25/191347525.db2.gz FAUBFMJPSGBORE-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC000412976851 191347676 /nfs/dbraw/zinc/34/76/76/191347676.db2.gz KFHJIDFIIJPXAX-LBPRGKRZSA-N 1 3 214.353 1.437 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000335287543 355256711 /nfs/dbraw/zinc/25/67/11/355256711.db2.gz IQAGWFBJJVRPSQ-CYBMUJFWSA-N 1 3 233.359 1.747 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)CCO1 ZINC000388887749 355319541 /nfs/dbraw/zinc/31/95/41/355319541.db2.gz KTBVINQEKJJXDV-LPWJVIDDSA-N 1 3 226.364 1.519 20 0 BDADHO CO[C@@H](C[NH2+]CCCN(C)CC(C)C)C1CC1 ZINC000639287774 355396251 /nfs/dbraw/zinc/39/62/51/355396251.db2.gz AHAVEZPUAFCOAO-AWEZNQCLSA-N 1 3 242.407 1.979 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639345923 355792700 /nfs/dbraw/zinc/79/27/00/355792700.db2.gz CUHILIBAQKNLBX-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639345928 355792811 /nfs/dbraw/zinc/79/28/11/355792811.db2.gz CUHILIBAQKNLBX-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417807672 191932494 /nfs/dbraw/zinc/93/24/94/191932494.db2.gz DKEVYELKDKVORP-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CCC(CC)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422860799 192490701 /nfs/dbraw/zinc/49/07/01/192490701.db2.gz NCMSDKJTIZJJAM-KGYLQXTDSA-N 1 3 228.380 1.765 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000420297594 192204315 /nfs/dbraw/zinc/20/43/15/192204315.db2.gz YVHRCIDEQOUZNZ-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCCN)C1 ZINC000420303958 192206429 /nfs/dbraw/zinc/20/64/29/192206429.db2.gz OBIHMFYHNOWPRJ-DGCLKSJQSA-N 1 3 228.380 1.502 20 0 BDADHO CCN(C)C(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000420319136 192195342 /nfs/dbraw/zinc/19/53/42/192195342.db2.gz RFDRMLBCQVYXSH-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1CCN ZINC000420319136 192195345 /nfs/dbraw/zinc/19/53/45/192195345.db2.gz RFDRMLBCQVYXSH-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1CCN ZINC000420319136 192195346 /nfs/dbraw/zinc/19/53/46/192195346.db2.gz RFDRMLBCQVYXSH-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CC(C)OC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000420295795 192203114 /nfs/dbraw/zinc/20/31/14/192203114.db2.gz AUNMNGCTVXCWRX-GFCCVEGCSA-N 1 3 230.352 1.291 20 0 BDADHO C[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420294199 192203478 /nfs/dbraw/zinc/20/34/78/192203478.db2.gz AWDCCQXHLOSCJY-QEJZJMRPSA-N 1 3 248.370 1.402 20 0 BDADHO C[C@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420294199 192203479 /nfs/dbraw/zinc/20/34/79/192203479.db2.gz AWDCCQXHLOSCJY-QEJZJMRPSA-N 1 3 248.370 1.402 20 0 BDADHO c1cc(CCCN2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000420309739 192210919 /nfs/dbraw/zinc/21/09/19/192210919.db2.gz FILSPTNKWCLTRK-LSDHHAIUSA-N 1 3 245.370 1.556 20 0 BDADHO COC(=O)CC1(CN[C@H](C[NH3+])C(C)(C)C)CC1 ZINC000420370937 192228137 /nfs/dbraw/zinc/22/81/37/192228137.db2.gz WFLYPFMKVZCXAH-SNVBAGLBSA-N 1 3 242.363 1.293 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCCc1ccncc1 ZINC000420357291 192220160 /nfs/dbraw/zinc/22/01/60/192220160.db2.gz HCPNFXJHEXKLPG-CQSZACIVSA-N 1 3 247.386 1.992 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCCc1ccncc1 ZINC000420357291 192220162 /nfs/dbraw/zinc/22/01/62/192220162.db2.gz HCPNFXJHEXKLPG-CQSZACIVSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ncsc1CCN[C@@H](C[NH3+])C(C)(C)C ZINC000420357843 192220193 /nfs/dbraw/zinc/22/01/93/192220193.db2.gz HWXJVRCMNDSJAJ-NSHDSACASA-N 1 3 241.404 1.957 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NCCOCC(F)(F)F ZINC000420354440 192220881 /nfs/dbraw/zinc/22/08/81/192220881.db2.gz CZTJTDQGVKZFSA-QMMMGPOBSA-N 1 3 242.285 1.528 20 0 BDADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)CN ZINC000420359383 192222712 /nfs/dbraw/zinc/22/27/12/192222712.db2.gz VUNPQNIZZWRGDX-STQMWFEESA-N 1 3 240.322 1.528 20 0 BDADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CN ZINC000420359383 192222714 /nfs/dbraw/zinc/22/27/14/192222714.db2.gz VUNPQNIZZWRGDX-STQMWFEESA-N 1 3 240.322 1.528 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC[C@H]1CCCO1 ZINC000420363803 192224313 /nfs/dbraw/zinc/22/43/13/192224313.db2.gz JURQPVFSVKDNII-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](NCCOCC[NH3+])c1ccccc1Cl ZINC000420366567 192225425 /nfs/dbraw/zinc/22/54/25/192225425.db2.gz GDILTMFVFQRFLL-SNVBAGLBSA-N 1 3 242.750 1.966 20 0 BDADHO CC(C)OCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420404458 192237879 /nfs/dbraw/zinc/23/78/79/192237879.db2.gz SFFRMXBPRWNUMN-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](NCCOCC[NH3+])c1ccccc1 ZINC000420403957 192238100 /nfs/dbraw/zinc/23/81/00/192238100.db2.gz LPOCLZVBWBBFIS-LLVKDONJSA-N 1 3 208.305 1.313 20 0 BDADHO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCCN ZINC000420414066 192241131 /nfs/dbraw/zinc/24/11/31/192241131.db2.gz UGBSTMRXPVBDGZ-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)C[C@H]1OCCC[C@@H]1NCCC[NH3+] ZINC000420414066 192241132 /nfs/dbraw/zinc/24/11/32/192241132.db2.gz UGBSTMRXPVBDGZ-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1C[N@H+](CCCc2ccncc2)C[C@H]1N ZINC000420373686 192232130 /nfs/dbraw/zinc/23/21/30/192232130.db2.gz NAUYFPCXIJWXCS-DGCLKSJQSA-N 1 3 219.332 1.293 20 0 BDADHO C[C@@H]1C[N@@H+](CCCc2ccncc2)C[C@H]1N ZINC000420373686 192232132 /nfs/dbraw/zinc/23/21/32/192232132.db2.gz NAUYFPCXIJWXCS-DGCLKSJQSA-N 1 3 219.332 1.293 20 0 BDADHO [NH3+]C[C@@H](NCCOCC1CC1)C1CCCCC1 ZINC000420379121 192233686 /nfs/dbraw/zinc/23/36/86/192233686.db2.gz XKYMUHVEVWTSGZ-CQSZACIVSA-N 1 3 240.391 1.910 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1C ZINC000389634211 356496514 /nfs/dbraw/zinc/49/65/14/356496514.db2.gz NKNUBGPDGPYPOZ-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1C ZINC000389634211 356496518 /nfs/dbraw/zinc/49/65/18/356496518.db2.gz NKNUBGPDGPYPOZ-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H]1CC[C@H](O)CN1CC[C@H]1CCC[N@@H+]1C ZINC000421020963 192306924 /nfs/dbraw/zinc/30/69/24/192306924.db2.gz NTVMWDWRGOHVIW-UPJWGTAASA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H]1CC[C@H](O)CN1CC[C@H]1CCC[N@H+]1C ZINC000421020963 192306926 /nfs/dbraw/zinc/30/69/26/192306926.db2.gz NTVMWDWRGOHVIW-UPJWGTAASA-N 1 3 226.364 1.316 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOc1cccc(F)c1 ZINC000422942129 192511612 /nfs/dbraw/zinc/51/16/12/192511612.db2.gz KEATYSAOUDUOEM-QWRGUYRKSA-N 1 3 240.322 1.920 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC000639755891 356660060 /nfs/dbraw/zinc/66/00/60/356660060.db2.gz QIJSEWIVNHTPMF-UHFFFAOYSA-N 1 3 234.347 1.327 20 0 BDADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000423133446 192580081 /nfs/dbraw/zinc/58/00/81/192580081.db2.gz KMNCWPMVABKWOE-KGYLQXTDSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)C1CC1 ZINC000423133446 192580084 /nfs/dbraw/zinc/58/00/84/192580084.db2.gz KMNCWPMVABKWOE-KGYLQXTDSA-N 1 3 226.364 1.389 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423134189 192581892 /nfs/dbraw/zinc/58/18/92/192581892.db2.gz DMIQXNUANIWUEO-XQQFMLRXSA-N 1 3 226.364 1.112 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000450462518 202171533 /nfs/dbraw/zinc/17/15/33/202171533.db2.gz HAVIEJWDPDRLDE-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000450462518 202171536 /nfs/dbraw/zinc/17/15/36/202171536.db2.gz HAVIEJWDPDRLDE-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423156826 192596261 /nfs/dbraw/zinc/59/62/61/192596261.db2.gz LQJWBEFMQNKYAY-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCOC1 ZINC000166565734 538724508 /nfs/dbraw/zinc/72/45/08/538724508.db2.gz ZUHZMIBACDXDDV-GFCCVEGCSA-N 1 3 214.353 1.485 20 0 BDADHO CCN1CCC([NH2+]CCN2CCCC2)CC1 ZINC000020126753 356998380 /nfs/dbraw/zinc/99/83/80/356998380.db2.gz YBPPVLPEOCNVJR-UHFFFAOYSA-N 1 3 225.380 1.156 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+]C1CCN(CC)CC1 ZINC000019959684 356995788 /nfs/dbraw/zinc/99/57/88/356995788.db2.gz AGDCYDRBNLMGSA-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000156252391 538775108 /nfs/dbraw/zinc/77/51/08/538775108.db2.gz VOCCZUXRNFBRGP-MJBXVCDLSA-N 1 3 241.423 1.789 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NCCC[NH3+] ZINC000389783436 357031570 /nfs/dbraw/zinc/03/15/70/357031570.db2.gz JSTMEGMHFJWMSC-DZGCQCFKSA-N 1 3 247.386 1.445 20 0 BDADHO CC(C)C[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000389822494 357045675 /nfs/dbraw/zinc/04/56/75/357045675.db2.gz QSEOACYSQGZKQG-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)C(C)(C)C1)N(C)C ZINC000623403134 357066589 /nfs/dbraw/zinc/06/65/89/357066589.db2.gz LBBYITURGHCWDC-NEPJUHHUSA-N 1 3 227.396 1.399 20 0 BDADHO C[C@H]([NH2+]CCc1cnccn1)[C@@H]1CCCCN1 ZINC000389982114 357076968 /nfs/dbraw/zinc/07/69/68/357076968.db2.gz YBXAYRXVCCXDSL-AAEUAGOBSA-N 1 3 234.347 1.139 20 0 BDADHO CSC[C@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000399997675 357145132 /nfs/dbraw/zinc/14/51/32/357145132.db2.gz LITANOTYHFDMHO-WDEREUQCSA-N 1 3 214.378 1.423 20 0 BDADHO Cc1ncsc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000391126496 357122448 /nfs/dbraw/zinc/12/24/48/357122448.db2.gz DPIOXXBEUDTZFV-MNOVXSKESA-N 1 3 239.388 1.854 20 0 BDADHO COC1CC([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000628425275 357253336 /nfs/dbraw/zinc/25/33/36/357253336.db2.gz GDZSKEKYFSBJOV-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000393434819 357308869 /nfs/dbraw/zinc/30/88/69/357308869.db2.gz WLXZWDSRDQKEQU-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO COc1ncccc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000582735003 357376450 /nfs/dbraw/zinc/37/64/50/357376450.db2.gz ALJBGTCSRPZNKO-QWHCGFSZSA-N 1 3 249.358 1.492 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccncc2C)CC1 ZINC000395378667 357433964 /nfs/dbraw/zinc/43/39/64/357433964.db2.gz QJRFQXGABPJMIO-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO C[C@@H]1C[C@H](NCCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898256 357578122 /nfs/dbraw/zinc/57/81/22/357578122.db2.gz WKWUASWJAZLGAA-DGCLKSJQSA-N 1 3 236.363 1.035 20 0 BDADHO C[C@@H]1C[C@H](NCCc2ccn(C)n2)CC[N@H+]1C ZINC000230898256 357578123 /nfs/dbraw/zinc/57/81/23/357578123.db2.gz WKWUASWJAZLGAA-DGCLKSJQSA-N 1 3 236.363 1.035 20 0 BDADHO COCC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429538482 538853584 /nfs/dbraw/zinc/85/35/84/538853584.db2.gz SVVJTLMQVXFJPC-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429538482 538853590 /nfs/dbraw/zinc/85/35/90/538853590.db2.gz SVVJTLMQVXFJPC-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429538482 538853593 /nfs/dbraw/zinc/85/35/93/538853593.db2.gz SVVJTLMQVXFJPC-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@H]1CC([NH2+]CCOCCN(C)C)C[C@H](C)C1 ZINC000231676047 357618480 /nfs/dbraw/zinc/61/84/80/357618480.db2.gz IUWNCHNHSAZBGT-CHWSQXEVSA-N 1 3 242.407 1.979 20 0 BDADHO C[NH+](C)CCOCCNC/C=C/c1ccccc1 ZINC000231676437 357619794 /nfs/dbraw/zinc/61/97/94/357619794.db2.gz SAGKYUMAMXXJHJ-RMKNXTFCSA-N 1 3 248.370 1.868 20 0 BDADHO CC[C@H](C)[C@@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416864 357860172 /nfs/dbraw/zinc/86/01/72/357860172.db2.gz KDSANHGEKWJESO-XQQFMLRXSA-N 1 3 242.407 1.856 20 0 BDADHO CC[C@H](C)[C@@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416864 357860177 /nfs/dbraw/zinc/86/01/77/357860177.db2.gz KDSANHGEKWJESO-XQQFMLRXSA-N 1 3 242.407 1.856 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000398193711 357860258 /nfs/dbraw/zinc/86/02/58/357860258.db2.gz YHQBIUNIYKIXBE-DDHJBXDOSA-N 1 3 212.337 1.413 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000398272082 357882113 /nfs/dbraw/zinc/88/21/13/357882113.db2.gz VJRVCRWPRTYCBB-RKDXNWHRSA-N 1 3 222.279 1.475 20 0 BDADHO CS[C@H](C)CN[C@H]1CCC[NH2+]CC1 ZINC000169087334 134249285 /nfs/dbraw/zinc/24/92/85/134249285.db2.gz IGANERBFIMBAMH-ZJUUUORDSA-N 1 3 202.367 1.470 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCCNCC1 ZINC000169087334 134249286 /nfs/dbraw/zinc/24/92/86/134249286.db2.gz IGANERBFIMBAMH-ZJUUUORDSA-N 1 3 202.367 1.470 20 0 BDADHO CCn1ccnc1CNCCCC[NH+](C)C ZINC000051924313 358102472 /nfs/dbraw/zinc/10/24/72/358102472.db2.gz QBVCBNJMQZAEMN-UHFFFAOYSA-N 1 3 224.352 1.334 20 0 BDADHO C[C@@H](C[NH2+]CC1(O)CCCC1)CN1CCCC1 ZINC000087459946 366454422 /nfs/dbraw/zinc/45/44/22/366454422.db2.gz XYKYXADAMFHSDH-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@@H](CNCC1(O)CCCC1)C[NH+]1CCCC1 ZINC000087459946 366454423 /nfs/dbraw/zinc/45/44/23/366454423.db2.gz XYKYXADAMFHSDH-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C1CC1N1CC[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614255 /nfs/dbraw/zinc/61/42/55/358614255.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 1 3 249.402 1.440 20 0 BDADHO C1CC1N1CC[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000130212765 358614256 /nfs/dbraw/zinc/61/42/56/358614256.db2.gz VXWBCPPDCUIEKU-GZBFAFLISA-N 1 3 249.402 1.440 20 0 BDADHO OC[C@H](Cc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000132259016 358713458 /nfs/dbraw/zinc/71/34/58/358713458.db2.gz MSQQIOHRKMWSQL-GJZGRUSLSA-N 1 3 248.370 1.179 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086402473 358967014 /nfs/dbraw/zinc/96/70/14/358967014.db2.gz NIWHVBPBRHKTPM-VXGBXAGGSA-N 1 3 214.353 1.661 20 0 BDADHO CCO[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423361149 192732193 /nfs/dbraw/zinc/73/21/93/192732193.db2.gz MCUDFVZLIAMCTA-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO C1CCC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@@H]12 ZINC000423433050 192767906 /nfs/dbraw/zinc/76/79/06/192767906.db2.gz MUOKWVPKTHUGLV-KKKKKVIPSA-N 1 3 248.370 1.142 20 0 BDADHO C[NH2+]CCCNC[C@@H]1C[C@H]1c1ccccc1 ZINC000163304241 202367049 /nfs/dbraw/zinc/36/70/49/202367049.db2.gz FDNYSCGFLJCABK-KBPBESRZSA-N 1 3 218.344 1.989 20 0 BDADHO CNCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000163304241 202367052 /nfs/dbraw/zinc/36/70/52/202367052.db2.gz FDNYSCGFLJCABK-KBPBESRZSA-N 1 3 218.344 1.989 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCOC1(C)C ZINC000451241297 202384712 /nfs/dbraw/zinc/38/47/12/202384712.db2.gz JBJGNFQEGNVXBU-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCOC1(C)C ZINC000451241297 202384715 /nfs/dbraw/zinc/38/47/15/202384715.db2.gz JBJGNFQEGNVXBU-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCOC1(C)C ZINC000451241297 202384718 /nfs/dbraw/zinc/38/47/18/202384718.db2.gz JBJGNFQEGNVXBU-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO OCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000087647841 359921923 /nfs/dbraw/zinc/92/19/23/359921923.db2.gz XPZMPCPCROYNPC-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO OCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000087647841 359921928 /nfs/dbraw/zinc/92/19/28/359921928.db2.gz XPZMPCPCROYNPC-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO COc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000089146303 359992797 /nfs/dbraw/zinc/99/27/97/359992797.db2.gz WQNJWAPADNKPNZ-CHWSQXEVSA-N 1 3 249.358 1.697 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCCn1ccnc1 ZINC000093462946 360246068 /nfs/dbraw/zinc/24/60/68/360246068.db2.gz QUUWFZNILAUGIS-CHWSQXEVSA-N 1 3 236.363 1.393 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NCC(C)(C)[NH3+])CC2 ZINC000414802669 200764628 /nfs/dbraw/zinc/76/46/28/200764628.db2.gz LBOUTXCCHDRWMM-ZDUSSCGKSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)C ZINC000156258874 360959270 /nfs/dbraw/zinc/95/92/70/360959270.db2.gz YYFYXFAXAUQNSB-UTUOFQBUSA-N 1 3 213.369 1.009 20 0 BDADHO C1CC1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC2)C1 ZINC000629409584 361058558 /nfs/dbraw/zinc/05/85/58/361058558.db2.gz KYOBMOLBSDIICD-JHJVBQTASA-N 1 3 208.349 1.907 20 0 BDADHO CCO[C@@H](CN1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519280 361120218 /nfs/dbraw/zinc/12/02/18/361120218.db2.gz OITXLURMDLCRQV-KBPBESRZSA-N 1 3 238.375 1.487 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCC(COC)CC1 ZINC000629527622 361134232 /nfs/dbraw/zinc/13/42/32/361134232.db2.gz AKXKTJJVZSOXAS-CLRIEMFWSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@H](CN1CC[C@H]([NH3+])[C@@H](CC)C1)C1CC1 ZINC000629528444 361137423 /nfs/dbraw/zinc/13/74/23/361137423.db2.gz ZIGPMZLXGJAMBN-FPMFFAJLSA-N 1 3 240.391 1.861 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccsc1 ZINC000629528878 361138131 /nfs/dbraw/zinc/13/81/31/361138131.db2.gz LZFCRPJTDUWDPX-SNVBAGLBSA-N 1 3 228.361 1.635 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cncc(C)c1 ZINC000629529824 361141809 /nfs/dbraw/zinc/14/18/09/361141809.db2.gz NQFFDPMXRFSQHH-LBPRGKRZSA-N 1 3 237.347 1.277 20 0 BDADHO CCO[C@@H](C[N@@H+]1CC[C@@](C)(CN)C1)C1CC1 ZINC000629530680 361145885 /nfs/dbraw/zinc/14/58/85/361145885.db2.gz NHXYJVDIIDJGRA-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H](C[N@H+]1CC[C@@](C)(CN)C1)C1CC1 ZINC000629530680 361145886 /nfs/dbraw/zinc/14/58/86/361145886.db2.gz NHXYJVDIIDJGRA-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccncc1 ZINC000629522324 361122743 /nfs/dbraw/zinc/12/27/43/361122743.db2.gz ZUFCNUPPHZTQJW-CYBMUJFWSA-N 1 3 249.358 1.630 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)F ZINC000631217248 361170472 /nfs/dbraw/zinc/17/04/72/361170472.db2.gz WCFFVUREZRFCKP-HBNTYKKESA-N 1 3 248.317 1.219 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)F ZINC000631217248 361170477 /nfs/dbraw/zinc/17/04/77/361170477.db2.gz WCFFVUREZRFCKP-HBNTYKKESA-N 1 3 248.317 1.219 20 0 BDADHO COCCCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000158525502 361201891 /nfs/dbraw/zinc/20/18/91/361201891.db2.gz SXDNLYHRAIDRIK-GFCCVEGCSA-N 1 3 216.369 1.718 20 0 BDADHO C[C@@H]1SCCN(C[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000158590222 361202969 /nfs/dbraw/zinc/20/29/69/361202969.db2.gz SXSJKYREIGUMPP-SDDRHHMPSA-N 1 3 228.405 1.812 20 0 BDADHO CSC[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000579222312 366737221 /nfs/dbraw/zinc/73/72/21/366737221.db2.gz JLOHZNQHFLAYQL-GFCCVEGCSA-N 1 3 246.420 1.173 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)N)C1 ZINC000622044522 370673014 /nfs/dbraw/zinc/67/30/14/370673014.db2.gz JAWHPTUBKKXMET-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428483753 201023667 /nfs/dbraw/zinc/02/36/67/201023667.db2.gz KEUBZCJVZHFSDB-LBPRGKRZSA-N 1 3 241.379 1.282 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NCC[C@H](C)[NH3+] ZINC000622045462 370679473 /nfs/dbraw/zinc/67/94/73/370679473.db2.gz WJXBWLIMSBZZRW-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC[C@H](C)N ZINC000622045462 370679479 /nfs/dbraw/zinc/67/94/79/370679479.db2.gz WJXBWLIMSBZZRW-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H](Cc1ccccc1F)NCCC[NH3+] ZINC000162530930 361354023 /nfs/dbraw/zinc/35/40/23/361354023.db2.gz NOJANMMSRRDBSI-JTQLQIEISA-N 1 3 210.296 1.695 20 0 BDADHO C[C@@H](Cc1ccccc1F)[NH2+]CCCN ZINC000162530930 361354025 /nfs/dbraw/zinc/35/40/25/361354025.db2.gz NOJANMMSRRDBSI-JTQLQIEISA-N 1 3 210.296 1.695 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCC2=CCCOC2)C1 ZINC000379738567 361381375 /nfs/dbraw/zinc/38/13/75/361381375.db2.gz WILARBMIIIEFTC-RYUDHWBXSA-N 1 3 210.321 1.193 20 0 BDADHO CCOCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000429540024 201111476 /nfs/dbraw/zinc/11/14/76/201111476.db2.gz SAGHQGPTVNUJLY-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429540024 201111479 /nfs/dbraw/zinc/11/14/79/201111479.db2.gz SAGHQGPTVNUJLY-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429540024 201111483 /nfs/dbraw/zinc/11/14/83/201111483.db2.gz SAGHQGPTVNUJLY-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO C[C@@H](O)CCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000429560504 201116530 /nfs/dbraw/zinc/11/65/30/201116530.db2.gz ZHVXYBQCALZFQP-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H](O)CCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429560504 201116534 /nfs/dbraw/zinc/11/65/34/201116534.db2.gz ZHVXYBQCALZFQP-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H](O)CCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429560504 201116538 /nfs/dbraw/zinc/11/65/38/201116538.db2.gz ZHVXYBQCALZFQP-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO Cc1cc([C@H](C)NCCOCCC[NH3+])c(C)o1 ZINC000629534618 361407279 /nfs/dbraw/zinc/40/72/79/361407279.db2.gz BAAACMQAFUNPQF-NSHDSACASA-N 1 3 240.347 1.912 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1ccccc1F ZINC000629535227 361408922 /nfs/dbraw/zinc/40/89/22/361408922.db2.gz BYUDLJAFFAOHCK-NSHDSACASA-N 1 3 240.322 1.842 20 0 BDADHO CCC[C@H](C)CCCNC1(CO)CC[NH2+]CC1 ZINC000629547495 361430473 /nfs/dbraw/zinc/43/04/73/361430473.db2.gz TXYHGSYNZDKEKL-ZDUSSCGKSA-N 1 3 242.407 1.907 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000629547839 361431412 /nfs/dbraw/zinc/43/14/12/361431412.db2.gz VCDHKECESMWSKS-WKSBVSIWSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000629548140 361431957 /nfs/dbraw/zinc/43/19/57/361431957.db2.gz WZVZBRMYZLHUQT-KIJLLGNVSA-N 1 3 208.349 1.905 20 0 BDADHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccncc1 ZINC000629570195 361459590 /nfs/dbraw/zinc/45/95/90/361459590.db2.gz JGWIQPANORXSOW-LBPRGKRZSA-N 1 3 237.347 1.310 20 0 BDADHO CC(C)CCN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583667 361467897 /nfs/dbraw/zinc/46/78/97/361467897.db2.gz ICPLFCDVUOJULP-BETUJISGSA-N 1 3 210.365 1.964 20 0 BDADHO FCC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629580707 361469848 /nfs/dbraw/zinc/46/98/48/361469848.db2.gz FACFRZGVFOCJMN-VXGBXAGGSA-N 1 3 230.327 1.046 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000629586779 361475275 /nfs/dbraw/zinc/47/52/75/361475275.db2.gz VDWWUYBYJFWXDE-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCCC2(CC2)CC1 ZINC000629586779 361475278 /nfs/dbraw/zinc/47/52/78/361475278.db2.gz VDWWUYBYJFWXDE-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC1CCOCC1)C2 ZINC000629593694 361484601 /nfs/dbraw/zinc/48/46/01/361484601.db2.gz IFXDPFVDZDAWTI-OKILXGFUSA-N 1 3 238.375 1.344 20 0 BDADHO CC(C)[C@@H](O)C[N@H+](C)CCCN1CCCC1 ZINC000433195609 201167931 /nfs/dbraw/zinc/16/79/31/201167931.db2.gz WUGVVHSBBZLTKD-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC000433195609 201167934 /nfs/dbraw/zinc/16/79/34/201167934.db2.gz WUGVVHSBBZLTKD-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648508 361540371 /nfs/dbraw/zinc/54/03/71/361540371.db2.gz QAGRBFPZLNJKRV-BZPMIXESSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CC2=CCCOC2)C[C@@H]1CN ZINC000629648508 361540373 /nfs/dbraw/zinc/54/03/73/361540373.db2.gz QAGRBFPZLNJKRV-BZPMIXESSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2=CCCOC2)C[C@@H]1CN ZINC000629648508 361540376 /nfs/dbraw/zinc/54/03/76/361540376.db2.gz QAGRBFPZLNJKRV-BZPMIXESSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@H](N(C)CC[C@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546766 201202420 /nfs/dbraw/zinc/20/24/20/201202420.db2.gz MFMPEHSLLNKQFI-NWDGAFQWSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@H](N(C)CC[C@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546766 201202423 /nfs/dbraw/zinc/20/24/23/201202423.db2.gz MFMPEHSLLNKQFI-NWDGAFQWSA-N 1 3 228.380 1.562 20 0 BDADHO Cc1cnccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000629649270 361544862 /nfs/dbraw/zinc/54/48/62/361544862.db2.gz NXQGOJXCDOSFLK-ZDUSSCGKSA-N 1 3 231.343 1.622 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccn(C)c2)C1 ZINC000629652017 361549966 /nfs/dbraw/zinc/54/99/66/361549966.db2.gz SMRINGNBAKYAMF-WCQYABFASA-N 1 3 221.348 1.584 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@H]1CCSC1 ZINC000629651009 361555707 /nfs/dbraw/zinc/55/57/07/361555707.db2.gz NOIIQGKARIPXQM-MNOVXSKESA-N 1 3 226.389 1.614 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739542 361574135 /nfs/dbraw/zinc/57/41/35/361574135.db2.gz ZREMEQCTKKJMGV-OLZOCXBDSA-N 1 3 224.348 1.440 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCC1=CCCOC1 ZINC000379739542 361574138 /nfs/dbraw/zinc/57/41/38/361574138.db2.gz ZREMEQCTKKJMGV-OLZOCXBDSA-N 1 3 224.348 1.440 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@H](CCF)C2)CC[NH2+]1 ZINC000629666481 361587762 /nfs/dbraw/zinc/58/77/62/361587762.db2.gz REMFRRTWIXWUHB-FRRDWIJNSA-N 1 3 244.354 1.435 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1CCSC1)C2 ZINC000629669854 361589847 /nfs/dbraw/zinc/58/98/47/361589847.db2.gz YHRSPDAFQPYQLX-UPJWGTAASA-N 1 3 240.416 1.671 20 0 BDADHO CN[C@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723593 361666044 /nfs/dbraw/zinc/66/60/44/361666044.db2.gz PXMHBJFFFPEXDC-CQSZACIVSA-N 1 3 232.327 1.316 20 0 BDADHO CNCCC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000435875666 201291538 /nfs/dbraw/zinc/29/15/38/201291538.db2.gz DVJSXMJLPWYZMM-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CNCCC[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000435875666 201291539 /nfs/dbraw/zinc/29/15/39/201291539.db2.gz DVJSXMJLPWYZMM-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000155735968 201348769 /nfs/dbraw/zinc/34/87/69/201348769.db2.gz KHIMKAGBPJIWIM-OLZOCXBDSA-N 1 3 227.396 1.399 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000155736086 201350226 /nfs/dbraw/zinc/35/02/26/201350226.db2.gz KHIMKAGBPJIWIM-STQMWFEESA-N 1 3 227.396 1.399 20 0 BDADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCN ZINC000437771071 201372155 /nfs/dbraw/zinc/37/21/55/201372155.db2.gz GPFOVJPQRAQJJW-LLVKDONJSA-N 1 3 246.358 1.822 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN)C[C@H]1C ZINC000437805154 201376923 /nfs/dbraw/zinc/37/69/23/201376923.db2.gz WPMVPJFGQRFIOX-GRYCIOLGSA-N 1 3 242.363 1.293 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000438207654 201399491 /nfs/dbraw/zinc/39/94/91/201399491.db2.gz AEBULTOZUMXLBR-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CC1(C)OCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000328272495 363871376 /nfs/dbraw/zinc/87/13/76/363871376.db2.gz WLXPMKLTCJQHPM-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO CC1(C)OCC[C@H]1NCCC[NH+]1CCCC1 ZINC000328272495 363871380 /nfs/dbraw/zinc/87/13/80/363871380.db2.gz WLXPMKLTCJQHPM-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@@](C)(N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607633 364333184 /nfs/dbraw/zinc/33/31/84/364333184.db2.gz LMNGGYSBRLPSAS-CYBMUJFWSA-N 1 3 245.330 1.310 20 0 BDADHO [NH3+]CC1(O)CCN(Cc2ccc(F)cc2)CC1 ZINC000071548809 181361241 /nfs/dbraw/zinc/36/12/41/181361241.db2.gz VCHHHBOVCDYUGK-UHFFFAOYSA-N 1 3 238.306 1.111 20 0 BDADHO CN(C[C@H]1CCCC[C@H]1O)CC(C)(C)C[NH3+] ZINC000328191100 364817295 /nfs/dbraw/zinc/81/72/95/364817295.db2.gz PKWHZRJNKJCTCF-VXGBXAGGSA-N 1 3 228.380 1.454 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000328317587 364826822 /nfs/dbraw/zinc/82/68/22/364826822.db2.gz CVZLSHZRIXVGMF-MGPQQGTHSA-N 1 3 238.375 1.223 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000328533580 364868593 /nfs/dbraw/zinc/86/85/93/364868593.db2.gz ZCNUTKSFCHQFGP-FVCCEPFGSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCCC[C@H]1O ZINC000328533580 364868599 /nfs/dbraw/zinc/86/85/99/364868599.db2.gz ZCNUTKSFCHQFGP-FVCCEPFGSA-N 1 3 226.364 1.207 20 0 BDADHO CC[C@H](NCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000573593289 364869698 /nfs/dbraw/zinc/86/96/98/364869698.db2.gz RUDNZOCSFBYSMT-LBPRGKRZSA-N 1 3 236.363 1.460 20 0 BDADHO [NH3+]CCC1CCN(Cc2ccccn2)CC1 ZINC000042427599 181371578 /nfs/dbraw/zinc/37/15/78/181371578.db2.gz DDZBCLCSOYBAPS-UHFFFAOYSA-N 1 3 219.332 1.642 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3OCCC[C@H]23)C1 ZINC000573696605 364896308 /nfs/dbraw/zinc/89/63/08/364896308.db2.gz KNZDFSMCYAABPQ-NZEXEKPDSA-N 1 3 224.348 1.413 20 0 BDADHO [NH3+]CCCN1CCC(c2ccncc2)CC1 ZINC000057500933 181379543 /nfs/dbraw/zinc/37/95/43/181379543.db2.gz CRPCESUKXYDLTD-UHFFFAOYSA-N 1 3 219.332 1.610 20 0 BDADHO NCCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000036732160 181380378 /nfs/dbraw/zinc/38/03/78/181380378.db2.gz FTTVVYULJWWQGA-ZDUSSCGKSA-N 1 3 226.364 1.759 20 0 BDADHO NCCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000036732160 181380380 /nfs/dbraw/zinc/38/03/80/181380380.db2.gz FTTVVYULJWWQGA-ZDUSSCGKSA-N 1 3 226.364 1.759 20 0 BDADHO CCCCN(CCCO)CCC[NH+]1CCCC1 ZINC000182149029 366870348 /nfs/dbraw/zinc/87/03/48/366870348.db2.gz GSMNLWFMOXEBEX-UHFFFAOYSA-N 1 3 242.407 1.957 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000575980129 365432680 /nfs/dbraw/zinc/43/26/80/365432680.db2.gz UTHDCHIRKXVEBU-TZMCWYRMSA-N 1 3 239.407 1.447 20 0 BDADHO C[C@H](O)C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000579823562 367028812 /nfs/dbraw/zinc/02/88/12/367028812.db2.gz AELBKKRUPUXSPA-NSHDSACASA-N 1 3 222.332 1.219 20 0 BDADHO C[C@H]([NH2+]CCCO)[C@H]1CCCN(C2CCC2)C1 ZINC000185709784 367140541 /nfs/dbraw/zinc/14/05/41/367140541.db2.gz BEJYEARRYAQAPZ-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000380321515 367178360 /nfs/dbraw/zinc/17/83/60/367178360.db2.gz KPTWKOUKPQMKMT-FRRDWIJNSA-N 1 3 210.365 1.962 20 0 BDADHO CC[C@@]1(C)CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000580897311 367202333 /nfs/dbraw/zinc/20/23/33/367202333.db2.gz KRYSHKHBYINUHI-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@]1(C)CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000580897311 367202339 /nfs/dbraw/zinc/20/23/39/367202339.db2.gz KRYSHKHBYINUHI-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@]1(C)CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000580897311 367202345 /nfs/dbraw/zinc/20/23/45/367202345.db2.gz KRYSHKHBYINUHI-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000581194252 367290595 /nfs/dbraw/zinc/29/05/95/367290595.db2.gz YFRLCPWIBWRMFN-FIQHERPVSA-N 1 3 241.379 1.101 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000383114510 367597990 /nfs/dbraw/zinc/59/79/90/367597990.db2.gz ATFRMYOXTQQSGA-NXEZZACHSA-N 1 3 218.291 1.891 20 0 BDADHO CN(C[C@@H]1CCCC[C@H]1O)[C@H]1CCC[NH2+]CC1 ZINC000383280611 367611034 /nfs/dbraw/zinc/61/10/34/367611034.db2.gz IJBYSJRBHCTZJV-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCCNCC1 ZINC000383280611 367611039 /nfs/dbraw/zinc/61/10/39/367611039.db2.gz IJBYSJRBHCTZJV-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CCCNCC1 ZINC000383280611 367611042 /nfs/dbraw/zinc/61/10/42/367611042.db2.gz IJBYSJRBHCTZJV-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO OCCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000383811655 367654282 /nfs/dbraw/zinc/65/42/82/367654282.db2.gz AQMZCZBTDUHTOC-CYBMUJFWSA-N 1 3 226.364 1.080 20 0 BDADHO OCCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000383811655 367654283 /nfs/dbraw/zinc/65/42/83/367654283.db2.gz AQMZCZBTDUHTOC-CYBMUJFWSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000384339925 367685801 /nfs/dbraw/zinc/68/58/01/367685801.db2.gz CAZVMJOMYMUHJB-FRRDWIJNSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000384847699 367743400 /nfs/dbraw/zinc/74/34/00/367743400.db2.gz KHENTKWUDUGODV-GMTAPVOTSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384861437 367746714 /nfs/dbraw/zinc/74/67/14/367746714.db2.gz DMGQNJMQGYZUIE-WISYIIOYSA-N 1 3 214.353 1.482 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)CN1CCCC1 ZINC000384871278 367747896 /nfs/dbraw/zinc/74/78/96/367747896.db2.gz ILMAGUZIKLLHBZ-ZOBORPQBSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](CN[C@@H]1C[C@H](C)O[C@H]1C)C[NH+]1CCCC1 ZINC000384871278 367747901 /nfs/dbraw/zinc/74/79/01/367747901.db2.gz ILMAGUZIKLLHBZ-ZOBORPQBSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)C)[C@H](C)O1 ZINC000384942451 367761555 /nfs/dbraw/zinc/76/15/55/367761555.db2.gz QWDAXPRWJVOJOS-WOPDTQHZSA-N 1 3 228.380 1.730 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H](C)O1 ZINC000385141527 367801267 /nfs/dbraw/zinc/80/12/67/367801267.db2.gz MCMYBBJUXQJKEO-BVMMLCNSSA-N 1 3 238.375 1.767 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H](C)O1 ZINC000385141527 367801273 /nfs/dbraw/zinc/80/12/73/367801273.db2.gz MCMYBBJUXQJKEO-BVMMLCNSSA-N 1 3 238.375 1.767 20 0 BDADHO C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CCN1C ZINC000566185305 326008905 /nfs/dbraw/zinc/00/89/05/326008905.db2.gz AZNLGRBAGXCKGJ-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](CCCO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386066883 367907948 /nfs/dbraw/zinc/90/79/48/367907948.db2.gz YSWSZXKZAQTCKQ-FRRDWIJNSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CCCCN1 ZINC000386018209 367898460 /nfs/dbraw/zinc/89/84/60/367898460.db2.gz ODGGMAOKXXUTDQ-CHWSQXEVSA-N 1 3 236.363 1.393 20 0 BDADHO C[C@@H](NCCCn1ccnc1)[C@H]1CCCC[NH2+]1 ZINC000386018209 367898464 /nfs/dbraw/zinc/89/84/64/367898464.db2.gz ODGGMAOKXXUTDQ-CHWSQXEVSA-N 1 3 236.363 1.393 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)c2ccccc21)[C@H](C)O ZINC000386879373 368031685 /nfs/dbraw/zinc/03/16/85/368031685.db2.gz LWWIKRALAYXZBE-GSVCSZOMSA-N 1 3 234.343 1.880 20 0 BDADHO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000566807307 326085368 /nfs/dbraw/zinc/08/53/68/326085368.db2.gz MCPXYFITYRYZIO-UMSGYPCISA-N 1 3 228.380 1.643 20 0 BDADHO CC[C@H](C)[NH2+]CCCCN1CCN(CC)CC1 ZINC000154513836 326147726 /nfs/dbraw/zinc/14/77/26/326147726.db2.gz JEXRTBOQFYXLRM-AWEZNQCLSA-N 1 3 241.423 1.792 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000111320308 368857013 /nfs/dbraw/zinc/85/70/13/368857013.db2.gz RMVQYHBINMRXKQ-KBPBESRZSA-N 1 3 240.391 1.733 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402433 368880362 /nfs/dbraw/zinc/88/03/62/368880362.db2.gz SYKHXYBZILOQOR-QWHCGFSZSA-N 1 3 226.364 1.663 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2nccs2)C1 ZINC000086404124 368880377 /nfs/dbraw/zinc/88/03/77/368880377.db2.gz MNWLDOWCVVUMAQ-NXEZZACHSA-N 1 3 225.361 1.545 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000086404230 368881426 /nfs/dbraw/zinc/88/14/26/368881426.db2.gz JYLUWAJBZNVSSS-RYUDHWBXSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821750 368975102 /nfs/dbraw/zinc/97/51/02/368975102.db2.gz HYNWUVIMRGDYNC-WUHRBBMRSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821750 368975110 /nfs/dbraw/zinc/97/51/10/368975110.db2.gz HYNWUVIMRGDYNC-WUHRBBMRSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)CO1 ZINC000623657684 368998996 /nfs/dbraw/zinc/99/89/96/368998996.db2.gz WNNUXEHPIZMDFU-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657684 368999001 /nfs/dbraw/zinc/99/90/01/368999001.db2.gz WNNUXEHPIZMDFU-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657684 368999006 /nfs/dbraw/zinc/99/90/06/368999006.db2.gz WNNUXEHPIZMDFU-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)CO1 ZINC000623657685 368999522 /nfs/dbraw/zinc/99/95/22/368999522.db2.gz WNNUXEHPIZMDFU-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657685 368999526 /nfs/dbraw/zinc/99/95/26/368999526.db2.gz WNNUXEHPIZMDFU-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657685 368999530 /nfs/dbraw/zinc/99/95/30/368999530.db2.gz WNNUXEHPIZMDFU-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631834648 369034681 /nfs/dbraw/zinc/03/46/81/369034681.db2.gz CGYKZNADBBUKEJ-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCCC[C@H](N)C1 ZINC000631834648 369034684 /nfs/dbraw/zinc/03/46/84/369034684.db2.gz CGYKZNADBBUKEJ-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000623655864 368991986 /nfs/dbraw/zinc/99/19/86/368991986.db2.gz HTHXUFDHGVGVBO-ZDUSSCGKSA-N 1 3 221.348 1.836 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000623656373 368992778 /nfs/dbraw/zinc/99/27/78/368992778.db2.gz SSVPHBIYFNJAGY-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1cccnc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000404928351 369439488 /nfs/dbraw/zinc/43/94/88/369439488.db2.gz KKFGHUMLHPTFGX-STQMWFEESA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cccnc1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000404928351 369439493 /nfs/dbraw/zinc/43/94/93/369439493.db2.gz KKFGHUMLHPTFGX-STQMWFEESA-N 1 3 233.359 1.792 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1CO ZINC000621372525 370311972 /nfs/dbraw/zinc/31/19/72/370311972.db2.gz XBEQLIWEWXGXTF-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1CO ZINC000621372525 370311973 /nfs/dbraw/zinc/31/19/73/370311973.db2.gz XBEQLIWEWXGXTF-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000621785040 370538266 /nfs/dbraw/zinc/53/82/66/370538266.db2.gz YCGDLSLHVNDTDB-ITGHMWBKSA-N 1 3 220.360 1.846 20 0 BDADHO CCn1nccc1CCN[C@](C)(C[NH3+])C1CC1 ZINC000621775050 370521831 /nfs/dbraw/zinc/52/18/31/370521831.db2.gz DZTHIYRDMJJNIS-CYBMUJFWSA-N 1 3 236.363 1.163 20 0 BDADHO CN1CCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000623786534 371092720 /nfs/dbraw/zinc/09/27/20/371092720.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623786534 371092724 /nfs/dbraw/zinc/09/27/24/371092724.db2.gz WMABSQNIQCQQLA-IHRRRGAJSA-N 1 3 237.391 1.297 20 0 BDADHO C[C@@H](O)CN(CCC[NH3+])Cc1ccccc1 ZINC000230024013 371636710 /nfs/dbraw/zinc/63/67/10/371636710.db2.gz GEWBKWHIINRGGU-GFCCVEGCSA-N 1 3 222.332 1.218 20 0 BDADHO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000164488516 372154545 /nfs/dbraw/zinc/15/45/45/372154545.db2.gz CBGNXDQGYRUZIW-OHUAYANFSA-N 1 3 246.420 1.073 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1CCCCO1)C1CC1 ZINC000631823153 372600348 /nfs/dbraw/zinc/60/03/48/372600348.db2.gz XKTFYJCXFZYACF-NWDGAFQWSA-N 1 3 212.337 1.273 20 0 BDADHO C[NH2+]CCC1CCN(Cc2nccnc2C)CC1 ZINC000631823569 372602725 /nfs/dbraw/zinc/60/27/25/372602725.db2.gz IMQSQXCCGBBUPD-UHFFFAOYSA-N 1 3 248.374 1.607 20 0 BDADHO CCO[C@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)C1CC1 ZINC000631837009 372625173 /nfs/dbraw/zinc/62/51/73/372625173.db2.gz LLWKXASGCSEEPY-RAIGVLPGSA-N 1 3 226.364 1.328 20 0 BDADHO CCO[C@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)C1CC1 ZINC000631837009 372625178 /nfs/dbraw/zinc/62/51/78/372625178.db2.gz LLWKXASGCSEEPY-RAIGVLPGSA-N 1 3 226.364 1.328 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336707413 169078006 /nfs/dbraw/zinc/07/80/06/169078006.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336707413 169078009 /nfs/dbraw/zinc/07/80/09/169078009.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336707413 169078011 /nfs/dbraw/zinc/07/80/11/169078011.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336707413 169078013 /nfs/dbraw/zinc/07/80/13/169078013.db2.gz ORXNESXIJPMFSR-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO c1n[nH]c2c1CCC[C@H]2N[C@H]1CCC[NH2+]CC1 ZINC000333234859 183320144 /nfs/dbraw/zinc/32/01/44/183320144.db2.gz CVHAWEYMLGWHQH-NWDGAFQWSA-N 1 3 234.347 1.519 20 0 BDADHO CCCN1CCC([NH2+]CCN2CCC2)CC1 ZINC000336740372 169188785 /nfs/dbraw/zinc/18/87/85/169188785.db2.gz QCSBIADOVXPENK-UHFFFAOYSA-N 1 3 225.380 1.156 20 0 BDADHO CCC[NH+]1CCC(NCCN2CCC2)CC1 ZINC000336740372 169188787 /nfs/dbraw/zinc/18/87/87/169188787.db2.gz QCSBIADOVXPENK-UHFFFAOYSA-N 1 3 225.380 1.156 20 0 BDADHO c1cc(CN2CCC3(CC[NH2+]C3)CC2)on1 ZINC000336503427 183339500 /nfs/dbraw/zinc/33/95/00/183339500.db2.gz FGTWPSVJFBOQJC-UHFFFAOYSA-N 1 3 221.304 1.250 20 0 BDADHO CCC[NH2+]CCNC(=O)C[C@H](N)c1ccccc1 ZINC000236768939 169258266 /nfs/dbraw/zinc/25/82/66/169258266.db2.gz OTNXIGLXUUORRA-ZDUSSCGKSA-N 1 3 249.358 1.192 20 0 BDADHO COC1CC([NH2+]C[C@H](C)CN2CCCCC2)C1 ZINC000220857789 134316376 /nfs/dbraw/zinc/31/63/76/134316376.db2.gz RNJGGFIBJHBHGW-HSBZDZAISA-N 1 3 240.391 1.875 20 0 BDADHO COC1CC(NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000220857789 134316377 /nfs/dbraw/zinc/31/63/77/134316377.db2.gz RNJGGFIBJHBHGW-HSBZDZAISA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375989858 169391763 /nfs/dbraw/zinc/39/17/63/169391763.db2.gz JZWKFVFZNQJBJB-GFCCVEGCSA-N 1 3 247.342 1.398 20 0 BDADHO CCCCOCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222908991 134336315 /nfs/dbraw/zinc/33/63/15/134336315.db2.gz BFMIDVPFBFLHAT-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCCCOCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222908991 134336316 /nfs/dbraw/zinc/33/63/16/134336316.db2.gz BFMIDVPFBFLHAT-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+]C1CCN(C)CC1 ZINC000226318239 134360501 /nfs/dbraw/zinc/36/05/01/134360501.db2.gz OJZHXRFVNMJZQX-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO COCCCCC[N@@H+]1CCCNCC1 ZINC000226414495 134365667 /nfs/dbraw/zinc/36/56/67/134365667.db2.gz SUNLWNOGQILYTQ-UHFFFAOYSA-N 1 3 200.326 1.098 20 0 BDADHO COCCCCC[N@H+]1CCCNCC1 ZINC000226414495 134365668 /nfs/dbraw/zinc/36/56/68/134365668.db2.gz SUNLWNOGQILYTQ-UHFFFAOYSA-N 1 3 200.326 1.098 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000301010907 383841702 /nfs/dbraw/zinc/84/17/02/383841702.db2.gz XPLAAMRJRCCAAI-GHMZBOCLSA-N 1 3 232.318 1.963 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000400233471 383944331 /nfs/dbraw/zinc/94/43/31/383944331.db2.gz SXLRCJADUIIUPS-YPMHNXCESA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@@H+]1CC[C@H](CNC[C@H](OC)C2CC2)C1 ZINC000400233471 383944335 /nfs/dbraw/zinc/94/43/35/383944335.db2.gz SXLRCJADUIIUPS-YPMHNXCESA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@H+]1CC[C@H](CNC[C@H](OC)C2CC2)C1 ZINC000400233471 383944339 /nfs/dbraw/zinc/94/43/39/383944339.db2.gz SXLRCJADUIIUPS-YPMHNXCESA-N 1 3 226.364 1.343 20 0 BDADHO CCN(CCOCC[NH3+])Cc1ccccc1 ZINC000032014372 383966880 /nfs/dbraw/zinc/96/68/80/383966880.db2.gz MMOUPJQZIOALJJ-UHFFFAOYSA-N 1 3 222.332 1.484 20 0 BDADHO C[C@H]1C[C@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000401800784 384041274 /nfs/dbraw/zinc/04/12/74/384041274.db2.gz TTXPQCBIOMDRNU-QWRGUYRKSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000401800785 384042241 /nfs/dbraw/zinc/04/22/41/384042241.db2.gz TTXPQCBIOMDRNU-WDEREUQCSA-N 1 3 214.353 1.341 20 0 BDADHO COc1ccc(CCN2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000163174022 384069807 /nfs/dbraw/zinc/06/98/07/384069807.db2.gz UEDQHKLRBLINOO-JSGCOSHPSA-N 1 3 248.370 1.907 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000394103402 384101829 /nfs/dbraw/zinc/10/18/29/384101829.db2.gz WLPPEHDXZWXZBM-AGIUHOORSA-N 1 3 228.380 1.358 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000569503113 384136469 /nfs/dbraw/zinc/13/64/69/384136469.db2.gz NUIYAPVASXGNNK-SDDRHHMPSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000569503113 384136472 /nfs/dbraw/zinc/13/64/72/384136472.db2.gz NUIYAPVASXGNNK-SDDRHHMPSA-N 1 3 214.353 1.253 20 0 BDADHO CC[C@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000253026089 384141398 /nfs/dbraw/zinc/14/13/98/384141398.db2.gz NIPJNDAIYSSCEH-TVYUQYBPSA-N 1 3 220.316 1.492 20 0 BDADHO CCOCCN1CCCC[C@@H]1CC[NH3+] ZINC000082601498 384246634 /nfs/dbraw/zinc/24/66/34/384246634.db2.gz RAXHYFAWKOJTJI-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000228552433 384277276 /nfs/dbraw/zinc/27/72/76/384277276.db2.gz LDITTWBDXHXOMJ-AXFHLTTASA-N 1 3 214.378 1.599 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000228537047 384275177 /nfs/dbraw/zinc/27/51/77/384275177.db2.gz MCOXTWXUTWSZGZ-BFHYXJOUSA-N 1 3 231.343 1.641 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000401935775 384314434 /nfs/dbraw/zinc/31/44/34/384314434.db2.gz PAAPLLYLMOQQQH-ZDUSSCGKSA-N 1 3 244.379 1.113 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000401929013 384294721 /nfs/dbraw/zinc/29/47/21/384294721.db2.gz UKEQGLKUWSKKOH-JQWIXIFHSA-N 1 3 210.321 1.015 20 0 BDADHO C[NH2+]CCC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647509952 384362205 /nfs/dbraw/zinc/36/22/05/384362205.db2.gz JLCCTBOAFMQVQD-UHFFFAOYSA-N 1 3 248.374 1.316 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000335644704 384420241 /nfs/dbraw/zinc/42/02/41/384420241.db2.gz YEZGSJPSONAFOY-WCQYABFASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H]1CCCCN1CCNC(=O)CC(C)(C)[NH3+] ZINC000178702832 384388224 /nfs/dbraw/zinc/38/82/24/384388224.db2.gz NERKBKURFCOPLY-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CCOCC1 ZINC000082544843 384432662 /nfs/dbraw/zinc/43/26/62/384432662.db2.gz VGZAXBZNHVMUBS-PWSUYJOCSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CCOCC1 ZINC000082544843 384432667 /nfs/dbraw/zinc/43/26/67/384432667.db2.gz VGZAXBZNHVMUBS-PWSUYJOCSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CCOCC1 ZINC000082544843 384432669 /nfs/dbraw/zinc/43/26/69/384432669.db2.gz VGZAXBZNHVMUBS-PWSUYJOCSA-N 1 3 212.337 1.225 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000568162147 384441612 /nfs/dbraw/zinc/44/16/12/384441612.db2.gz PBRBKWNMMBKRFE-YPMHNXCESA-N 1 3 236.363 1.393 20 0 BDADHO COC1(C[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)CCCC1 ZINC000319853984 384514071 /nfs/dbraw/zinc/51/40/71/384514071.db2.gz LGMOUGNTDUVWLS-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO COC1(C[N@H+]2CC[C@@H](C)[C@@H](CN)C2)CCCC1 ZINC000319853984 384514077 /nfs/dbraw/zinc/51/40/77/384514077.db2.gz LGMOUGNTDUVWLS-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)C ZINC000373060608 384547055 /nfs/dbraw/zinc/54/70/55/384547055.db2.gz XIOBUUURXUBZCM-WTUNAVPPSA-N 1 3 240.391 1.872 20 0 BDADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)C ZINC000373060608 384547061 /nfs/dbraw/zinc/54/70/61/384547061.db2.gz XIOBUUURXUBZCM-WTUNAVPPSA-N 1 3 240.391 1.872 20 0 BDADHO CCN(CC)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236837182 384589339 /nfs/dbraw/zinc/58/93/39/384589339.db2.gz QOWUENCCJCJPOU-LBPRGKRZSA-N 1 3 243.395 1.160 20 0 BDADHO CC(C)[C@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000305934027 384564370 /nfs/dbraw/zinc/56/43/70/384564370.db2.gz PSJSHYBYOFJNAD-LBPRGKRZSA-N 1 3 237.351 1.030 20 0 BDADHO CN(CC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000086638241 384673339 /nfs/dbraw/zinc/67/33/39/384673339.db2.gz KPIMPDLIJWATTK-LLVKDONJSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)N1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000154638016 384648409 /nfs/dbraw/zinc/64/84/09/384648409.db2.gz UQWSTMVPAXWPOP-AWEZNQCLSA-N 1 3 239.407 1.543 20 0 BDADHO CC[NH+]1CCC(CNCc2ccnn2C)CC1 ZINC000044517731 384652095 /nfs/dbraw/zinc/65/20/95/384652095.db2.gz USJYQAKFQAUMCX-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO CO[C@H](C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309618119 384656282 /nfs/dbraw/zinc/65/62/82/384656282.db2.gz DKAAFKKSGSMBMQ-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@H](C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309618119 384656291 /nfs/dbraw/zinc/65/62/91/384656291.db2.gz DKAAFKKSGSMBMQ-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449094432 384721145 /nfs/dbraw/zinc/72/11/45/384721145.db2.gz RXROJPXUDDMRNB-REWJHTLYSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449094432 384721154 /nfs/dbraw/zinc/72/11/54/384721154.db2.gz RXROJPXUDDMRNB-REWJHTLYSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000449094432 384721161 /nfs/dbraw/zinc/72/11/61/384721161.db2.gz RXROJPXUDDMRNB-REWJHTLYSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000336191128 384722247 /nfs/dbraw/zinc/72/22/47/384722247.db2.gz CBSJQKLKRRUMEL-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000647548678 384740033 /nfs/dbraw/zinc/74/00/33/384740033.db2.gz OONKHJBEBNUUBW-MRTXSQPYSA-N 1 3 238.375 1.532 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000308538037 384791841 /nfs/dbraw/zinc/79/18/41/384791841.db2.gz GSRJTRQJRYYWKB-MXWKQRLJSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423329112 384806328 /nfs/dbraw/zinc/80/63/28/384806328.db2.gz ONTCNTMWCFBINT-BPLDGKMQSA-N 1 3 247.386 1.759 20 0 BDADHO c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)sn1 ZINC000404446817 384809041 /nfs/dbraw/zinc/80/90/41/384809041.db2.gz OFCLGNQRDIDUFR-PHIMTYICSA-N 1 3 237.372 1.575 20 0 BDADHO Cc1ncccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335271016 384886967 /nfs/dbraw/zinc/88/69/67/384886967.db2.gz XRTFJWUOWHWPAU-OKILXGFUSA-N 1 3 245.370 1.821 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc(F)cc1 ZINC000259039884 384953303 /nfs/dbraw/zinc/95/33/03/384953303.db2.gz PEUFZFDJGKVHHZ-CHWSQXEVSA-N 1 3 222.307 1.838 20 0 BDADHO C[C@H](C[NH2+]C[C@H](C)O)CN1CCCCC1 ZINC000644525457 384937418 /nfs/dbraw/zinc/93/74/18/384937418.db2.gz MHSBWPPNFQSSTB-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](CNC[C@H](C)O)C[NH+]1CCCCC1 ZINC000644525457 384937425 /nfs/dbraw/zinc/93/74/25/384937425.db2.gz MHSBWPPNFQSSTB-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO c1ncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000309526876 384937770 /nfs/dbraw/zinc/93/77/70/384937770.db2.gz CIAPWXGKRCOIBD-PHIMTYICSA-N 1 3 237.372 1.575 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc2c(c1)CCO2 ZINC000258895422 384944332 /nfs/dbraw/zinc/94/43/32/384944332.db2.gz HHEQSMHMZIEOKZ-KBPBESRZSA-N 1 3 246.354 1.633 20 0 BDADHO Cc1nc(CCN[C@@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000226324247 384978552 /nfs/dbraw/zinc/97/85/52/384978552.db2.gz GSEMUAPLLRXNKS-ZYHUDNBSSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1nc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cs1 ZINC000226324247 384978557 /nfs/dbraw/zinc/97/85/57/384978557.db2.gz GSEMUAPLLRXNKS-ZYHUDNBSSA-N 1 3 239.388 1.711 20 0 BDADHO C[N@H+](Cc1ccccc1)C1(CN)CCC1 ZINC000086474930 385019272 /nfs/dbraw/zinc/01/92/72/385019272.db2.gz GLFIQASVJDZWCY-UHFFFAOYSA-N 1 3 204.317 2.000 20 0 BDADHO C[N@@H+](Cc1ccccc1)C1(CN)CCC1 ZINC000086474930 385019276 /nfs/dbraw/zinc/01/92/76/385019276.db2.gz GLFIQASVJDZWCY-UHFFFAOYSA-N 1 3 204.317 2.000 20 0 BDADHO CC[C@H](CNC1CC[NH+](C(C)C)CC1)OC ZINC000336671076 385071151 /nfs/dbraw/zinc/07/11/51/385071151.db2.gz NOMAPTYZSLFULW-CYBMUJFWSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)CCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000310536678 385110582 /nfs/dbraw/zinc/11/05/82/385110582.db2.gz RLFHAYQBMCWSJB-BFHYXJOUSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)COCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404836781 385097126 /nfs/dbraw/zinc/09/71/26/385097126.db2.gz AKQMSWIUAOJLRI-MNOVXSKESA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)COCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000404836781 385097131 /nfs/dbraw/zinc/09/71/31/385097131.db2.gz AKQMSWIUAOJLRI-MNOVXSKESA-N 1 3 214.353 1.374 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000189521017 385161395 /nfs/dbraw/zinc/16/13/95/385161395.db2.gz YCTFBGXABFTWKW-HSBZDZAISA-N 1 3 240.391 1.874 20 0 BDADHO CCSCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000308837657 385209797 /nfs/dbraw/zinc/20/97/97/385209797.db2.gz WXSBKXGSIJGWCM-YOGCLGLASA-N 1 3 228.405 1.954 20 0 BDADHO CCSCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000308837657 385209805 /nfs/dbraw/zinc/20/98/05/385209805.db2.gz WXSBKXGSIJGWCM-YOGCLGLASA-N 1 3 228.405 1.954 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCN1CC ZINC000037621327 385230457 /nfs/dbraw/zinc/23/04/57/385230457.db2.gz OJJHAFAFIFAIBO-DGCLKSJQSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)CCOCCN1CC[C@H](C[NH3+])C1 ZINC000045107892 385246456 /nfs/dbraw/zinc/24/64/56/385246456.db2.gz DDDFNYSWDSWCIQ-GFCCVEGCSA-N 1 3 214.353 1.330 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCCC[NH+](CC)CC ZINC000019478874 385205850 /nfs/dbraw/zinc/20/58/50/385205850.db2.gz DYKBKXPSEYKRHW-NEPJUHHUSA-N 1 3 243.395 1.208 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000335359391 385348452 /nfs/dbraw/zinc/34/84/52/385348452.db2.gz PXTRGXKFKDGMAB-LBPRGKRZSA-N 1 3 224.348 1.405 20 0 BDADHO CCC[C@H](N)C(=O)NCCCC[NH+](CC)CC ZINC000165105769 385351323 /nfs/dbraw/zinc/35/13/23/385351323.db2.gz MIZDZSHYVQOXRX-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CN1C[C@H]2[C@@H](CC[N@@H+]2CC[C@H]2CCCN2C)C1 ZINC000644736174 385366724 /nfs/dbraw/zinc/36/67/24/385366724.db2.gz HQXNIVBQIYDOBU-MJBXVCDLSA-N 1 3 237.391 1.107 20 0 BDADHO CN1C[C@H]2[C@@H](CC[N@H+]2CC[C@H]2CCCN2C)C1 ZINC000644736174 385366729 /nfs/dbraw/zinc/36/67/29/385366729.db2.gz HQXNIVBQIYDOBU-MJBXVCDLSA-N 1 3 237.391 1.107 20 0 BDADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)N ZINC000168926739 385392994 /nfs/dbraw/zinc/39/29/94/385392994.db2.gz AHXFKWWMJVOWQP-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)N ZINC000168926739 385392997 /nfs/dbraw/zinc/39/29/97/385392997.db2.gz AHXFKWWMJVOWQP-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCCCC[N@H+](CCO)CC(C)(C)N ZINC000309092282 385414013 /nfs/dbraw/zinc/41/40/13/385414013.db2.gz BOEKLMRBCLZZGJ-UHFFFAOYSA-N 1 3 202.342 1.208 20 0 BDADHO CCCCC[N@@H+](CCO)CC(C)(C)N ZINC000309092282 385414016 /nfs/dbraw/zinc/41/40/16/385414016.db2.gz BOEKLMRBCLZZGJ-UHFFFAOYSA-N 1 3 202.342 1.208 20 0 BDADHO C[C@H]([NH2+]CCc1cncn1C)[C@H]1CCCCN1 ZINC000401649592 385492445 /nfs/dbraw/zinc/49/24/45/385492445.db2.gz OHHBYJNZPBCXHB-WCQYABFASA-N 1 3 236.363 1.083 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H]1CCCOC1)CN1CCCC1 ZINC000111320511 385501134 /nfs/dbraw/zinc/50/11/34/385501134.db2.gz UIINNTMWFSNSFA-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO C[NH2+]CCCN(C)CC1(OC)CCCC1 ZINC000319013169 385538926 /nfs/dbraw/zinc/53/89/26/385538926.db2.gz GJRLVBNFZSOWHL-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO COC1(CN(C)CCC[NH3+])CCCC1 ZINC000319016112 385539583 /nfs/dbraw/zinc/53/95/83/385539583.db2.gz HCNJUAHWMUJUAK-UHFFFAOYSA-N 1 3 200.326 1.226 20 0 BDADHO COC1(C[N@@H+]2CC[C@](C)(CN)C2)CCCC1 ZINC000319104838 385543143 /nfs/dbraw/zinc/54/31/43/385543143.db2.gz XVISJZRHYVAPSP-GFCCVEGCSA-N 1 3 226.364 1.616 20 0 BDADHO COC1(C[N@H+]2CC[C@](C)(CN)C2)CCCC1 ZINC000319104838 385543146 /nfs/dbraw/zinc/54/31/46/385543146.db2.gz XVISJZRHYVAPSP-GFCCVEGCSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000309354276 385545653 /nfs/dbraw/zinc/54/56/53/385545653.db2.gz NTFXIMITUYGZCR-BXUZGUMPSA-N 1 3 218.344 1.728 20 0 BDADHO Cc1ccc(CNCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000414847813 385603431 /nfs/dbraw/zinc/60/34/31/385603431.db2.gz JQRCVELCCSIYBO-ZDUSSCGKSA-N 1 3 233.359 1.869 20 0 BDADHO CCOC[C@H]1CCCN(CCC[NH2+]C)C1 ZINC000309515616 385654757 /nfs/dbraw/zinc/65/47/57/385654757.db2.gz RHYYVECOYAILHN-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO CCN1CC[C@@H]([NH2+]CCCN(C)C)[C@@H](C)C1 ZINC000221705874 385689932 /nfs/dbraw/zinc/68/99/32/385689932.db2.gz WHINNSFCBLSKAR-QWHCGFSZSA-N 1 3 227.396 1.258 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000221722443 385694465 /nfs/dbraw/zinc/69/44/65/385694465.db2.gz VEIMBFKICSQDQR-QWHCGFSZSA-N 1 3 227.396 1.401 20 0 BDADHO C[C@@H](NCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000122601929 385697971 /nfs/dbraw/zinc/69/79/71/385697971.db2.gz SDIWSHIGBCBRIN-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO FCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000336686236 385702768 /nfs/dbraw/zinc/70/27/68/385702768.db2.gz KXXXNDYQNSPTAP-LBPRGKRZSA-N 1 3 214.328 1.812 20 0 BDADHO CCOC(=O)C1CCC([NH2+]CCCNC)CC1 ZINC000414860719 385744187 /nfs/dbraw/zinc/74/41/87/385744187.db2.gz QJECTNGTGOUPGL-UHFFFAOYSA-N 1 3 242.363 1.307 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1ccccc1OC ZINC000414861201 385745573 /nfs/dbraw/zinc/74/55/73/385745573.db2.gz RIVDWOOXDIDZKD-LBPRGKRZSA-N 1 3 236.359 1.825 20 0 BDADHO C[N@H+](C[C@@H](O)CN1CCC2(CCC2)C1)C1CC1 ZINC000336705743 385786575 /nfs/dbraw/zinc/78/65/75/385786575.db2.gz LFNOZICKINWQFS-CYBMUJFWSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+](C[C@@H](O)CN1CCC2(CCC2)C1)C1CC1 ZINC000336705743 385786579 /nfs/dbraw/zinc/78/65/79/385786579.db2.gz LFNOZICKINWQFS-CYBMUJFWSA-N 1 3 238.375 1.318 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)C1CNC1 ZINC000647800728 385809315 /nfs/dbraw/zinc/80/93/15/385809315.db2.gz JOGRKBWZJBKVSL-JGVFFNPUSA-N 1 3 206.280 1.475 20 0 BDADHO COC[C@]1(CN[C@H]2CCCC2(C)C)CCC[NH2+]1 ZINC000414946540 385809942 /nfs/dbraw/zinc/80/99/42/385809942.db2.gz SPFSTGXZUKIWOZ-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000647804448 385840744 /nfs/dbraw/zinc/84/07/44/385840744.db2.gz QUPINFOYENDECL-JXUBOQSCSA-N 1 3 200.351 1.350 20 0 BDADHO COC[C@@H](CC(C)C)NCC1([NH3+])CCC1 ZINC000414871549 385853821 /nfs/dbraw/zinc/85/38/21/385853821.db2.gz DCEAEYWWKDDTHU-LLVKDONJSA-N 1 3 214.353 1.519 20 0 BDADHO COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336656873 385791118 /nfs/dbraw/zinc/79/11/18/385791118.db2.gz ANCOQNSZEHKFJB-WDEREUQCSA-N 1 3 216.369 1.587 20 0 BDADHO CC1(O)CC[NH+](CCCN2CCCCC2)CC1 ZINC000189083644 385924596 /nfs/dbraw/zinc/92/45/96/385924596.db2.gz LRUNTAXUCLOUHT-UHFFFAOYSA-N 1 3 240.391 1.709 20 0 BDADHO C([NH2+]C[C@H]1CCCNC1)[C@H]1CCSC1 ZINC000228553611 385876276 /nfs/dbraw/zinc/87/62/76/385876276.db2.gz HMMGFFJMGPRJKK-WDEREUQCSA-N 1 3 214.378 1.329 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]C[C@H](C)CN)n1 ZINC000414874191 385882079 /nfs/dbraw/zinc/88/20/79/385882079.db2.gz IMUCDMZQNZVDHO-GHMZBOCLSA-N 1 3 237.347 1.206 20 0 BDADHO COc1cccc(C[C@@H](C)NC[C@H](C)C[NH3+])n1 ZINC000414874191 385882081 /nfs/dbraw/zinc/88/20/81/385882081.db2.gz IMUCDMZQNZVDHO-GHMZBOCLSA-N 1 3 237.347 1.206 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000295151806 385978380 /nfs/dbraw/zinc/97/83/80/385978380.db2.gz CSLHTGACHDYOFC-WCFLWFBJSA-N 1 3 249.358 1.176 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414972614 385986853 /nfs/dbraw/zinc/98/68/53/385986853.db2.gz AZEFHBQGWQYDRF-CYBMUJFWSA-N 1 3 244.342 1.699 20 0 BDADHO Cc1ccc(F)cc1CNC[C@H](C)C[NH3+] ZINC000414878176 385933716 /nfs/dbraw/zinc/93/37/16/385933716.db2.gz NZROJUGTCTYGFQ-SECBINFHSA-N 1 3 210.296 1.819 20 0 BDADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC1CC1 ZINC000335043751 385936429 /nfs/dbraw/zinc/93/64/29/385936429.db2.gz WVHUKJYJTQSQON-UKRRQHHQSA-N 1 3 244.338 1.994 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CNC1CCC(O)CC1 ZINC000335047017 385942347 /nfs/dbraw/zinc/94/23/47/385942347.db2.gz SITYDUFPUONDKE-WXRRBKDZSA-N 1 3 240.391 1.658 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000338291487 385946248 /nfs/dbraw/zinc/94/62/48/385946248.db2.gz XUFIVSJLSFOODE-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000338291487 385946252 /nfs/dbraw/zinc/94/62/52/385946252.db2.gz XUFIVSJLSFOODE-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO COc1cc(CNC[C@@H](C)C[NH3+])ccc1C ZINC000414879126 385947327 /nfs/dbraw/zinc/94/73/27/385947327.db2.gz PDHALTFISGORJA-JTQLQIEISA-N 1 3 222.332 1.688 20 0 BDADHO CCN(CC)CCC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000338281966 385948460 /nfs/dbraw/zinc/94/84/60/385948460.db2.gz NWXWLUBBDCGSDJ-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000338281966 385948462 /nfs/dbraw/zinc/94/84/62/385948462.db2.gz NWXWLUBBDCGSDJ-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCC1(O)CCC1 ZINC000335051545 385949354 /nfs/dbraw/zinc/94/93/54/385949354.db2.gz QUTOIPRQYQWTPR-WDEREUQCSA-N 1 3 212.337 1.151 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](COC)C1 ZINC000338302112 385951328 /nfs/dbraw/zinc/95/13/28/385951328.db2.gz ALKBZYRERHPUBU-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](COC)C1 ZINC000338302112 385951332 /nfs/dbraw/zinc/95/13/32/385951332.db2.gz ALKBZYRERHPUBU-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)C1 ZINC000304644952 385955272 /nfs/dbraw/zinc/95/52/72/385955272.db2.gz SVIIFRUMPSWDNO-RNJOBUHISA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000251475712 385955797 /nfs/dbraw/zinc/95/57/97/385955797.db2.gz FDYCDIQGHIIYFD-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000251475712 385955803 /nfs/dbraw/zinc/95/58/03/385955803.db2.gz FDYCDIQGHIIYFD-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCNC1 ZINC000414880169 385960607 /nfs/dbraw/zinc/96/06/07/385960607.db2.gz JRCJUDLIBVHHEI-SFYZADRCSA-N 1 3 210.243 1.669 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000335012190 385968481 /nfs/dbraw/zinc/96/84/81/385968481.db2.gz WYJPZTDUSNHNNM-VXGBXAGGSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012190 385968484 /nfs/dbraw/zinc/96/84/84/385968484.db2.gz WYJPZTDUSNHNNM-VXGBXAGGSA-N 1 3 225.380 1.188 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1cccc(COC)c1 ZINC000414973173 385999083 /nfs/dbraw/zinc/99/90/83/385999083.db2.gz BWJVXKKTKHAYFB-CYBMUJFWSA-N 1 3 222.332 1.660 20 0 BDADHO COC1(CN2CC[C@H]([NH3+])[C@@H](C)C2)CCCC1 ZINC000309504241 386011866 /nfs/dbraw/zinc/01/18/66/386011866.db2.gz MOAJWTLPQBCLRA-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@@H+]2CC[C@H](N)[C@@H](C)C2)CCCC1 ZINC000309504241 386011872 /nfs/dbraw/zinc/01/18/72/386011872.db2.gz MOAJWTLPQBCLRA-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2CC[C@H](N)[C@@H](C)C2)CCCC1 ZINC000309504241 386011874 /nfs/dbraw/zinc/01/18/74/386011874.db2.gz MOAJWTLPQBCLRA-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)CN(C)C ZINC000309731393 386024260 /nfs/dbraw/zinc/02/42/60/386024260.db2.gz FGXMIQTZSVRTDE-VXGBXAGGSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)CN(C)C ZINC000336738548 386106214 /nfs/dbraw/zinc/10/62/14/386106214.db2.gz KIMDIDOQWFFEDB-FRRDWIJNSA-N 1 3 228.380 1.589 20 0 BDADHO [NH3+][C@H](CNC1Cc2ccccc2C1)C1CC1 ZINC000414889172 386111822 /nfs/dbraw/zinc/11/18/22/386111822.db2.gz KXXPQGNTYYXPJK-CQSZACIVSA-N 1 3 216.328 1.481 20 0 BDADHO C[NH+](C)CCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000223123811 386076998 /nfs/dbraw/zinc/07/69/98/386076998.db2.gz GGGJTZYFQHZVLZ-UHFFFAOYSA-N 1 3 240.322 1.963 20 0 BDADHO COC[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365424647 386087063 /nfs/dbraw/zinc/08/70/63/386087063.db2.gz XWPINOSWNHDECU-NWDGAFQWSA-N 1 3 214.353 1.437 20 0 BDADHO COC[C@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365424647 386087076 /nfs/dbraw/zinc/08/70/76/386087076.db2.gz XWPINOSWNHDECU-NWDGAFQWSA-N 1 3 214.353 1.437 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414985700 386099359 /nfs/dbraw/zinc/09/93/59/386099359.db2.gz WRCXULXUFXTMJM-NSHDSACASA-N 1 3 232.331 1.400 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)C1CC1 ZINC000425482436 386151800 /nfs/dbraw/zinc/15/18/00/386151800.db2.gz QSJVNYVQWBFNBO-KGLIPLIRSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)C1CC1 ZINC000425482436 386151806 /nfs/dbraw/zinc/15/18/06/386151806.db2.gz QSJVNYVQWBFNBO-KGLIPLIRSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H](CN1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000425482436 386151810 /nfs/dbraw/zinc/15/18/10/386151810.db2.gz QSJVNYVQWBFNBO-KGLIPLIRSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000414692228 386181847 /nfs/dbraw/zinc/18/18/47/386181847.db2.gz KLDMQOQYBSFLEH-TZMCWYRMSA-N 1 3 239.407 1.528 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](N)C1 ZINC000346086184 386141899 /nfs/dbraw/zinc/14/18/99/386141899.db2.gz IFMYMCVVWLVKAR-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@H+]1CCC[C@@H](N)C1 ZINC000346086184 386141903 /nfs/dbraw/zinc/14/19/03/386141903.db2.gz IFMYMCVVWLVKAR-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO C([C@H]1CC[NH2+]C1)N(C[C@@H]1CCOC1)C1CC1 ZINC000647875052 386142642 /nfs/dbraw/zinc/14/26/42/386142642.db2.gz SYJCKDKEMWDFNJ-RYUDHWBXSA-N 1 3 224.348 1.097 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H](C)O1 ZINC000414699419 386204838 /nfs/dbraw/zinc/20/48/38/386204838.db2.gz YOGDCOJRSNNUPN-IGQOVBAYSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)COC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647881203 386206996 /nfs/dbraw/zinc/20/69/96/386206996.db2.gz SAWNAYUJLAODNZ-CYBMUJFWSA-N 1 3 240.391 1.733 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109295 386218865 /nfs/dbraw/zinc/21/88/65/386218865.db2.gz KUXJKMIIFIGTHT-HONMWMINSA-N 1 3 232.327 1.900 20 0 BDADHO C[C@@H]([C@H]1Cc2ccccc2O1)N(C)CCC[NH3+] ZINC000414707660 386219064 /nfs/dbraw/zinc/21/90/64/386219064.db2.gz MZECKIKSLLHUOZ-SMDDNHRTSA-N 1 3 234.343 1.659 20 0 BDADHO CC(C)C[C@@H](N)C[NH+]1CCC(C)(CO)CC1 ZINC000414709520 386221769 /nfs/dbraw/zinc/22/17/69/386221769.db2.gz KDXVKMWBDCJUPT-GFCCVEGCSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)C[C@H](N)C[NH+]1CCC(C)(CO)CC1 ZINC000414709523 386222038 /nfs/dbraw/zinc/22/20/38/386222038.db2.gz KDXVKMWBDCJUPT-LBPRGKRZSA-N 1 3 228.380 1.454 20 0 BDADHO CCN(CCC[NH3+])CCc1cccs1 ZINC000414711548 386228382 /nfs/dbraw/zinc/22/83/82/386228382.db2.gz UGEIQXSCEWBSGB-UHFFFAOYSA-N 1 3 212.362 1.961 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336645525 386252762 /nfs/dbraw/zinc/25/27/62/386252762.db2.gz IBWQEJSMLWCNPN-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336645525 386252764 /nfs/dbraw/zinc/25/27/64/386252764.db2.gz IBWQEJSMLWCNPN-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO [NH3+]CCCN(Cc1cccc(O)c1)CC1CC1 ZINC000414695660 386196043 /nfs/dbraw/zinc/19/60/43/386196043.db2.gz PJWJGXWJVWBAIU-UHFFFAOYSA-N 1 3 234.343 1.953 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414997883 386196349 /nfs/dbraw/zinc/19/63/49/386196349.db2.gz ZYVKXENPHOAPCZ-NNYUYHANSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+]CCCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000414901675 386311244 /nfs/dbraw/zinc/31/12/44/386311244.db2.gz JBDVKAUYQLPYLE-UHFFFAOYSA-N 1 3 236.241 1.257 20 0 BDADHO CO[C@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000336652977 386268360 /nfs/dbraw/zinc/26/83/60/386268360.db2.gz XKFGWSVHHYRIFF-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO CO[C@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000336652977 386268364 /nfs/dbraw/zinc/26/83/64/386268364.db2.gz XKFGWSVHHYRIFF-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO CC[C@@H](C)N(CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336658435 386274225 /nfs/dbraw/zinc/27/42/25/386274225.db2.gz MTLSJBGQQAEFGF-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](C)N(CCO)CC[C@@H]1CCC[N@H+]1C ZINC000336658435 386274227 /nfs/dbraw/zinc/27/42/27/386274227.db2.gz MTLSJBGQQAEFGF-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000647888189 386342445 /nfs/dbraw/zinc/34/24/45/386342445.db2.gz YBGXHYDCAGNJES-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO CC[C@@]1(CO)CCCN1C[C@@H]([NH3+])CC(C)C ZINC000414748371 386352401 /nfs/dbraw/zinc/35/24/01/386352401.db2.gz WMSZJUAFTFGPQP-STQMWFEESA-N 1 3 228.380 1.597 20 0 BDADHO CC[C@H](COC)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906204 386372001 /nfs/dbraw/zinc/37/20/01/386372001.db2.gz MFIUHUWLXZVAHY-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906204 386372005 /nfs/dbraw/zinc/37/20/05/386372005.db2.gz MFIUHUWLXZVAHY-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000336698616 386384483 /nfs/dbraw/zinc/38/44/83/386384483.db2.gz WVSBZASHWCNEOI-BFHYXJOUSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000336698616 386384486 /nfs/dbraw/zinc/38/44/86/386384486.db2.gz WVSBZASHWCNEOI-BFHYXJOUSA-N 1 3 240.391 1.970 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000336717889 386438869 /nfs/dbraw/zinc/43/88/69/386438869.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000336717889 386438874 /nfs/dbraw/zinc/43/88/74/386438874.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCOC2)C1 ZINC000336717889 386438880 /nfs/dbraw/zinc/43/88/80/386438880.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCOC2)C1 ZINC000336717889 386438885 /nfs/dbraw/zinc/43/88/85/386438885.db2.gz WOIBNVKBOIJSGD-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CC[C@@H]1C[C@@H](CN(C)C2CC([NH3+])C2)CCO1 ZINC000414768082 386443073 /nfs/dbraw/zinc/44/30/73/386443073.db2.gz HEWVPTLLSVDGHJ-YWPUVAFDSA-N 1 3 226.364 1.613 20 0 BDADHO C[C@H]1CC2(CN1Cc1ccno1)CC[NH2+]CC2 ZINC000335280020 386394516 /nfs/dbraw/zinc/39/45/16/386394516.db2.gz QMCJSWMWEUOHQG-NSHDSACASA-N 1 3 235.331 1.639 20 0 BDADHO CC[C@H](C)N(CCO)CCC[NH+](CC)CC ZINC000347450370 386408875 /nfs/dbraw/zinc/40/88/75/386408875.db2.gz GGQNLCRKSXIZDH-ZDUSSCGKSA-N 1 3 230.396 1.811 20 0 BDADHO CC[C@H](C)[N@H+](CCO)CCCN(CC)CC ZINC000347450370 386408878 /nfs/dbraw/zinc/40/88/78/386408878.db2.gz GGQNLCRKSXIZDH-ZDUSSCGKSA-N 1 3 230.396 1.811 20 0 BDADHO CC[C@H](C)[N@@H+](CCO)CCCN(CC)CC ZINC000347450370 386408883 /nfs/dbraw/zinc/40/88/83/386408883.db2.gz GGQNLCRKSXIZDH-ZDUSSCGKSA-N 1 3 230.396 1.811 20 0 BDADHO CC[C@H]1C[C@@H](C)C[N@@H+]1CCN1CCNCC1 ZINC000399160963 386428771 /nfs/dbraw/zinc/42/87/71/386428771.db2.gz KTZIUJBFMMYFIE-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H]1C[C@@H](C)C[N@H+]1CCN1CCNCC1 ZINC000399160963 386428774 /nfs/dbraw/zinc/42/87/74/386428774.db2.gz KTZIUJBFMMYFIE-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@@H]1C[C@H](CN2CC[C@H]([NH3+])[C@@H]2C)CCO1 ZINC000414765978 386433957 /nfs/dbraw/zinc/43/39/57/386433957.db2.gz GYOHNRHRPFXNSI-LOWDOPEQSA-N 1 3 226.364 1.613 20 0 BDADHO CC[C@@]1(C)CC[N@H+](CCN2CCNCC2)C1 ZINC000399275589 386475145 /nfs/dbraw/zinc/47/51/45/386475145.db2.gz CWJJKXAHKAURTG-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO CC[C@@]1(C)CC[N@@H+](CCN2CCNCC2)C1 ZINC000399275589 386475152 /nfs/dbraw/zinc/47/51/52/386475152.db2.gz CWJJKXAHKAURTG-ZDUSSCGKSA-N 1 3 225.380 1.014 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000519548654 386483763 /nfs/dbraw/zinc/48/37/63/386483763.db2.gz WWNIAQFWJVPKMS-TXEJJXNPSA-N 1 3 247.342 1.424 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2C[C@@](C)(O)C2)CC1 ZINC000417354470 386490578 /nfs/dbraw/zinc/49/05/78/386490578.db2.gz LUVVQAXTZJUQCM-BETUJISGSA-N 1 3 226.364 1.364 20 0 BDADHO CCc1cnc(CN[C@H]2CC[C@H](C[NH3+])C2)s1 ZINC000415042406 386529529 /nfs/dbraw/zinc/52/95/29/386529529.db2.gz QSJZTLATNSEPBO-UWVGGRQHSA-N 1 3 239.388 1.923 20 0 BDADHO Cc1ccc(CCC[NH2+]C2CCNCC2)cn1 ZINC000414784266 386507648 /nfs/dbraw/zinc/50/76/48/386507648.db2.gz RYIMLNOSAIAKNZ-UHFFFAOYSA-N 1 3 233.359 1.664 20 0 BDADHO Cc1ccc(CCCNC2CC[NH2+]CC2)cn1 ZINC000414784266 386507652 /nfs/dbraw/zinc/50/76/52/386507652.db2.gz RYIMLNOSAIAKNZ-UHFFFAOYSA-N 1 3 233.359 1.664 20 0 BDADHO Cn1ncc(Cl)c1CN[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415051897 386509727 /nfs/dbraw/zinc/50/97/27/386509727.db2.gz ZZBGAFYEXSDVIX-BDAKNGLRSA-N 1 3 242.754 1.291 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@@H](C)CCC[NH3+])n1 ZINC000415025882 386514617 /nfs/dbraw/zinc/51/46/17/386514617.db2.gz RYASFRJGSCHRLT-VIFPVBQESA-N 1 3 223.320 1.313 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@H](C)CCC[NH3+])n1 ZINC000415025880 386514749 /nfs/dbraw/zinc/51/47/49/386514749.db2.gz RYASFRJGSCHRLT-SECBINFHSA-N 1 3 223.320 1.313 20 0 BDADHO CCOc1cccc(CN[C@@H](C)CCC[NH3+])n1 ZINC000415027369 386516461 /nfs/dbraw/zinc/51/64/61/386516461.db2.gz WNAUILATVVWTTB-NSHDSACASA-N 1 3 237.347 1.697 20 0 BDADHO C[C@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000415031264 386519861 /nfs/dbraw/zinc/51/98/61/386519861.db2.gz GCIPPCQVBPPJOS-SPWCGHHHSA-N 1 3 230.355 1.673 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1C ZINC000415030602 386520000 /nfs/dbraw/zinc/52/00/00/386520000.db2.gz FDMSCGIGXIAPPN-USTYEKHQSA-N 1 3 208.349 1.619 20 0 BDADHO CCC(CC)CNC[C@H]1C[NH2+]CCCO1 ZINC000415036388 386523670 /nfs/dbraw/zinc/52/36/70/386523670.db2.gz JTLSIUJFLUMNAL-GFCCVEGCSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@@H]1CN(CCCOC(C)C)CC[C@@H]1[NH3+] ZINC000647936457 386527301 /nfs/dbraw/zinc/52/73/01/386527301.db2.gz FJBMZKJLKOXXFW-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@H](CCc1ccsc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415041674 386527860 /nfs/dbraw/zinc/52/78/60/386527860.db2.gz RORRHPYFTILHCJ-XEZLXBQYSA-N 1 3 236.384 1.877 20 0 BDADHO C[C@@H]1C[C@H](CN(C)Cc2ccnn2C)CC[NH2+]1 ZINC000414770225 386454679 /nfs/dbraw/zinc/45/46/79/386454679.db2.gz XVGDKWXUCNRTSF-VXGBXAGGSA-N 1 3 236.363 1.240 20 0 BDADHO O[C@H]1C[NH2+]C[C@@H]1CNCCCC1CCCCC1 ZINC000414773397 386465656 /nfs/dbraw/zinc/46/56/56/386465656.db2.gz AEFNRBHYTRSACE-KBPBESRZSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@H](CN)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414921131 386581530 /nfs/dbraw/zinc/58/15/30/386581530.db2.gz AJFQDPVOKKIMDK-SECBINFHSA-N 1 3 236.344 1.371 20 0 BDADHO COC1CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000414803261 386599073 /nfs/dbraw/zinc/59/90/73/386599073.db2.gz NLCXHUVRXKGLRB-WTIISPKJSA-N 1 3 226.364 1.661 20 0 BDADHO CC(C)[C@@H](N)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414802283 386594695 /nfs/dbraw/zinc/59/46/95/386594695.db2.gz VKVLAEILFXKVRB-LBPRGKRZSA-N 1 3 232.331 1.636 20 0 BDADHO C[C@H](CC1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000415046263 386531821 /nfs/dbraw/zinc/53/18/21/386531821.db2.gz UWKTUCRJZIVJOZ-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](CC1CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415046262 386532193 /nfs/dbraw/zinc/53/21/93/386532193.db2.gz UWKTUCRJZIVJOZ-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000414790887 386537136 /nfs/dbraw/zinc/53/71/36/386537136.db2.gz AOYYUEJLCXEXPC-ZIAGYGMSSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@@H](Cn1cccn1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415064562 386546034 /nfs/dbraw/zinc/54/60/34/386546034.db2.gz KZRIDLSGNUSPAC-AAEUAGOBSA-N 1 3 236.363 1.379 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000415070286 386550578 /nfs/dbraw/zinc/55/05/78/386550578.db2.gz QMQBTGYLVUBXHA-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414793101 386563200 /nfs/dbraw/zinc/56/32/00/386563200.db2.gz JUENMMQTRWRMQH-FDYHWXHSSA-N 1 3 238.375 1.517 20 0 BDADHO COCC(C)(C)CNC[C@@H]([NH3+])C(C)C ZINC000414796181 386567676 /nfs/dbraw/zinc/56/76/76/386567676.db2.gz NSXRBPVHMDAZJU-SNVBAGLBSA-N 1 3 202.342 1.232 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CCO1 ZINC000414809030 386625459 /nfs/dbraw/zinc/62/54/59/386625459.db2.gz TUZCBZHMAYBLNX-DGAVXFQQSA-N 1 3 240.391 1.907 20 0 BDADHO Cc1cc(CCNCC(C)(C)[NH3+])cc(C)c1O ZINC000415115368 386629678 /nfs/dbraw/zinc/62/96/78/386629678.db2.gz YIEDWGBZSDLFGW-UHFFFAOYSA-N 1 3 236.359 1.878 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@@H](CF)C2)CC[NH2+]1 ZINC000415120679 386632244 /nfs/dbraw/zinc/63/22/44/386632244.db2.gz JAUOZOPUVYZGPF-WOPDTQHZSA-N 1 3 230.327 1.045 20 0 BDADHO CC[C@H]1C[C@H](CN(C)CCC[NH2+]C)CCO1 ZINC000415138983 386633741 /nfs/dbraw/zinc/63/37/41/386633741.db2.gz WBUDDETWKIPVJI-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H]1C[C@H](C[N@H+](C)CCCNC)CCO1 ZINC000415138983 386633743 /nfs/dbraw/zinc/63/37/43/386633743.db2.gz WBUDDETWKIPVJI-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H]1C[C@H](C[N@@H+](C)CCCNC)CCO1 ZINC000415138983 386633749 /nfs/dbraw/zinc/63/37/49/386633749.db2.gz WBUDDETWKIPVJI-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@H](C)[NH2+]CC(N)(CC)CC ZINC000414804062 386605126 /nfs/dbraw/zinc/60/51/26/386605126.db2.gz DSOGBCYFPJNJBB-JTQLQIEISA-N 1 3 202.342 1.519 20 0 BDADHO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415088206 386607658 /nfs/dbraw/zinc/60/76/58/386607658.db2.gz UYFCAHAUMCBDIG-RNJOBUHISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@@H]1CCCO1 ZINC000415088206 386607663 /nfs/dbraw/zinc/60/76/63/386607663.db2.gz UYFCAHAUMCBDIG-RNJOBUHISA-N 1 3 226.364 1.532 20 0 BDADHO C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCCNCC1 ZINC000415108449 386616385 /nfs/dbraw/zinc/61/63/85/386616385.db2.gz KTCYEEQFMIQBIT-RVMXOQNASA-N 1 3 208.349 1.907 20 0 BDADHO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CCCNCC1 ZINC000415108451 386617044 /nfs/dbraw/zinc/61/70/44/386617044.db2.gz KTCYEEQFMIQBIT-WUHRBBMRSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1ccc(C[C@@H](CO)[NH2+]CC(C)(C)N)cc1 ZINC000415106814 386617325 /nfs/dbraw/zinc/61/73/25/386617325.db2.gz ODSQWDWMASKCHW-ZDUSSCGKSA-N 1 3 236.359 1.225 20 0 BDADHO CCCC[C@@H](C[NH3+])NCCC(C)(C)C(=O)OC ZINC000414819246 386669825 /nfs/dbraw/zinc/66/98/25/386669825.db2.gz YESSYCIPWVTFTB-NSHDSACASA-N 1 3 244.379 1.683 20 0 BDADHO C[C@H](C[NH3+])NC[C@H](C)c1ccc(F)cc1 ZINC000414927162 386681439 /nfs/dbraw/zinc/68/14/39/386681439.db2.gz LJUFRBHWBFWJER-VHSXEESVSA-N 1 3 210.296 1.866 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830831 386711507 /nfs/dbraw/zinc/71/15/07/386711507.db2.gz CMMQJBZXWRIVJE-KXNHARMFSA-N 1 3 226.364 1.245 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830831 386711514 /nfs/dbraw/zinc/71/15/14/386711514.db2.gz CMMQJBZXWRIVJE-KXNHARMFSA-N 1 3 226.364 1.245 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@H](CN)C1CCCCC1 ZINC000414830067 386707042 /nfs/dbraw/zinc/70/70/42/386707042.db2.gz ALHYVZQBWZUOBW-ZIAGYGMSSA-N 1 3 241.423 1.857 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2)CCO1 ZINC000414837124 386733627 /nfs/dbraw/zinc/73/36/27/386733627.db2.gz VPBDKWHBEDBUSO-IHRRRGAJSA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+]CCOCCN1CC[C@@H](Nc2ccccc2)C1 ZINC000357071469 386712509 /nfs/dbraw/zinc/71/25/09/386712509.db2.gz CCBXLKNNZAGZFA-CQSZACIVSA-N 1 3 249.358 1.148 20 0 BDADHO C[NH2+]CCNC1CCC2(CCOCC2)CC1 ZINC000414833622 386712738 /nfs/dbraw/zinc/71/27/38/386712738.db2.gz SRMMIMOMXDXUPH-UHFFFAOYSA-N 1 3 226.364 1.535 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414831712 386713312 /nfs/dbraw/zinc/71/33/12/386713312.db2.gz DMGOJPVZFJPGCJ-XQQFMLRXSA-N 1 3 228.380 1.635 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CCCN(C)CCN(C)C)C1 ZINC000623088024 386724950 /nfs/dbraw/zinc/72/49/50/386724950.db2.gz SRWVRRTYSCMECQ-UONOGXRCSA-N 1 3 241.423 1.648 20 0 BDADHO CC[C@H](C)C[NH2+]CCCN(C)CCN(C)C ZINC000623088099 386725040 /nfs/dbraw/zinc/72/50/40/386725040.db2.gz WHXQAPMUOGNDCS-ZDUSSCGKSA-N 1 3 229.412 1.506 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc2c[nH]nc2c1 ZINC000334141054 386740852 /nfs/dbraw/zinc/74/08/52/386740852.db2.gz DOQIKTSGDHRSQX-ZYHUDNBSSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]1CC2(CN1Cc1cc[nH]n1)CC[NH2+]CC2 ZINC000335544012 386727011 /nfs/dbraw/zinc/72/70/11/386727011.db2.gz QALFYZVMASQUCD-LLVKDONJSA-N 1 3 234.347 1.374 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414930172 386747636 /nfs/dbraw/zinc/74/76/36/386747636.db2.gz SOKNQEGKDBVYEX-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414930173 386747771 /nfs/dbraw/zinc/74/77/71/386747771.db2.gz SOKNQEGKDBVYEX-WDEREUQCSA-N 1 3 242.363 1.435 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCN2)CCO1 ZINC000414841326 386754370 /nfs/dbraw/zinc/75/43/70/386754370.db2.gz HTYMCSWZVSEQCP-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO N[C@@H](CNC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838914 386741951 /nfs/dbraw/zinc/74/19/51/386741951.db2.gz VXJGBLQAOSRJBV-JSGCOSHPSA-N 1 3 233.359 1.276 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000192129236 386742746 /nfs/dbraw/zinc/74/27/46/386742746.db2.gz PIUIYZIGMLEROC-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414844975 386786385 /nfs/dbraw/zinc/78/63/85/386786385.db2.gz RZTYCMHGNOIUOJ-NEPJUHHUSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](C[NH3+])N[C@H]1Cc2ccc(Cl)cc2C1 ZINC000414936940 386843777 /nfs/dbraw/zinc/84/37/77/386843777.db2.gz CNXUTTSPUVEWBB-UFBFGSQYSA-N 1 3 224.735 1.744 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000398595284 386849719 /nfs/dbraw/zinc/84/97/19/386849719.db2.gz WWGVOLFNSZWCTP-AGIUHOORSA-N 1 3 228.380 1.645 20 0 BDADHO CS[C@@H]1CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000425350371 386867670 /nfs/dbraw/zinc/86/76/70/386867670.db2.gz LKXSJPVZBOCESU-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO CS[C@@H]1CC[C@H]1NCCC[NH+]1CCCC1 ZINC000425350371 386867674 /nfs/dbraw/zinc/86/76/74/386867674.db2.gz LKXSJPVZBOCESU-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919585 386872881 /nfs/dbraw/zinc/87/28/81/386872881.db2.gz LFKHSYNDUJJOKI-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO [NH3+]CC1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000334833298 386873148 /nfs/dbraw/zinc/87/31/48/386873148.db2.gz OOPCFSPCAPJLSY-ILDUYXDCSA-N 1 3 247.333 1.091 20 0 BDADHO CN1CCC([NH2+]C[C@@H]2NCCCC2(C)C)CC1 ZINC000334865303 386921788 /nfs/dbraw/zinc/92/17/88/386921788.db2.gz SAAWGVYRUVGGQG-ZDUSSCGKSA-N 1 3 239.407 1.448 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331903112 386923705 /nfs/dbraw/zinc/92/37/05/386923705.db2.gz FJMLYWRIQJIRDM-SDDRHHMPSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCCOCC2)CCCNC1 ZINC000334873915 386935427 /nfs/dbraw/zinc/93/54/27/386935427.db2.gz KNKIBBFNNDXBRR-STQMWFEESA-N 1 3 226.364 1.535 20 0 BDADHO CC(C)(C)[NH+]1CCC(NCCN2CCC2)CC1 ZINC000358351163 386938180 /nfs/dbraw/zinc/93/81/80/386938180.db2.gz KXVAMFWFISYZLZ-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CC(C)(C)N1CCC([NH2+]CCN2CCC2)CC1 ZINC000358351163 386938184 /nfs/dbraw/zinc/93/81/84/386938184.db2.gz KXVAMFWFISYZLZ-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000395205991 386999374 /nfs/dbraw/zinc/99/93/74/386999374.db2.gz ONNBQKKKQUOKAJ-OBJOEFQTSA-N 1 3 239.407 1.589 20 0 BDADHO CCC[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000332055251 386949980 /nfs/dbraw/zinc/94/99/80/386949980.db2.gz XBJZCIJQECZXGN-TUAOUCFPSA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369654304 387059096 /nfs/dbraw/zinc/05/90/96/387059096.db2.gz CPUYYNNVOGNHHE-ZOBORPQBSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369654304 387059099 /nfs/dbraw/zinc/05/90/99/387059099.db2.gz CPUYYNNVOGNHHE-ZOBORPQBSA-N 1 3 238.375 1.173 20 0 BDADHO c1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334981615 387068629 /nfs/dbraw/zinc/06/86/29/387068629.db2.gz UQYYYRXMIHIXJH-NEPJUHHUSA-N 1 3 235.331 1.496 20 0 BDADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC1CNC1 ZINC000423299793 387130508 /nfs/dbraw/zinc/13/05/08/387130508.db2.gz CNWBORRCTFKIHR-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO C[C@H](CCc1ccc(F)cc1)NCC1C[NH2+]C1 ZINC000423299793 387130515 /nfs/dbraw/zinc/13/05/15/387130515.db2.gz CNWBORRCTFKIHR-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000423298878 387130555 /nfs/dbraw/zinc/13/05/55/387130555.db2.gz PBLZOVWFHYUUPX-MJBXVCDLSA-N 1 3 241.423 1.824 20 0 BDADHO C(CN1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCCO1 ZINC000334994871 387086478 /nfs/dbraw/zinc/08/64/78/387086478.db2.gz VSXCLHJKXVVSFR-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NC1CC(C)(F)C1 ZINC000335004745 387099346 /nfs/dbraw/zinc/09/93/46/387099346.db2.gz DTPPEROUUJBIKA-VOBJUBJWSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004745 387099351 /nfs/dbraw/zinc/09/93/51/387099351.db2.gz DTPPEROUUJBIKA-VOBJUBJWSA-N 1 3 214.328 1.855 20 0 BDADHO [NH3+]CCCCNCc1cc(F)c(F)c(F)c1 ZINC000062707836 387110728 /nfs/dbraw/zinc/11/07/28/387110728.db2.gz KKAPFUMJWSONKG-UHFFFAOYSA-N 1 3 232.249 1.932 20 0 BDADHO CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CCNCC2)CCO1 ZINC000335026361 387119238 /nfs/dbraw/zinc/11/92/38/387119238.db2.gz MOGAUUDWDIIJAZ-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO Cc1ccccc1C[C@@H](C)NCC1C[NH2+]C1 ZINC000423300391 387132234 /nfs/dbraw/zinc/13/22/34/387132234.db2.gz DOJXTLBVJMEOTO-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1ccccc1C[C@@H](C)[NH2+]CC1CNC1 ZINC000423300391 387132237 /nfs/dbraw/zinc/13/22/37/387132237.db2.gz DOJXTLBVJMEOTO-GFCCVEGCSA-N 1 3 218.344 1.735 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccccc1N(C)C ZINC000423298696 387129432 /nfs/dbraw/zinc/12/94/32/387129432.db2.gz ASTXXURFQRTMJO-NEPJUHHUSA-N 1 3 235.375 1.998 20 0 BDADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1CNC1 ZINC000423299794 387130126 /nfs/dbraw/zinc/13/01/26/387130126.db2.gz CNWBORRCTFKIHR-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO C[C@@H](CCc1ccc(F)cc1)NCC1C[NH2+]C1 ZINC000423299794 387130128 /nfs/dbraw/zinc/13/01/28/387130128.db2.gz CNWBORRCTFKIHR-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO Cc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334980887 387067786 /nfs/dbraw/zinc/06/77/86/387067786.db2.gz QCLYUTPIYHIILU-CHWSQXEVSA-N 1 3 249.358 1.805 20 0 BDADHO C[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423309048 387145916 /nfs/dbraw/zinc/14/59/16/387145916.db2.gz YQSFNXBNEBBDNR-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H](NC[C@@H](C)C[NH3+])c1ccncc1 ZINC000423310223 387147208 /nfs/dbraw/zinc/14/72/08/387147208.db2.gz RKZSHTFNVQYBIM-JQWIXIFHSA-N 1 3 207.321 1.717 20 0 BDADHO c1cncc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000249910569 387152065 /nfs/dbraw/zinc/15/20/65/387152065.db2.gz NNGFNXBMGMWBOO-CABCVRRESA-N 1 3 245.370 1.841 20 0 BDADHO c1cncc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000249910569 387152068 /nfs/dbraw/zinc/15/20/68/387152068.db2.gz NNGFNXBMGMWBOO-CABCVRRESA-N 1 3 245.370 1.841 20 0 BDADHO [NH3+][C@@H](CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000423321199 387161302 /nfs/dbraw/zinc/16/13/02/387161302.db2.gz MZTXKRQNDJWUAF-YVECIDJPSA-N 1 3 236.359 1.271 20 0 BDADHO Nc1ncc(CN2CCC[C@H](CC[NH3+])C2)s1 ZINC000571762387 387162777 /nfs/dbraw/zinc/16/27/77/387162777.db2.gz IDKQNENHCZATLL-SECBINFHSA-N 1 3 240.376 1.116 20 0 BDADHO c1cncc([C@@H]2CCC[C@H]([NH2+]CC3CNC3)C2)c1 ZINC000423329520 387173926 /nfs/dbraw/zinc/17/39/26/387173926.db2.gz SXHGYTQJYIAEID-HIFRSBDPSA-N 1 3 245.370 1.917 20 0 BDADHO c1cncc([C@@H]2CCC[C@H](NCC3C[NH2+]C3)C2)c1 ZINC000423329520 387173932 /nfs/dbraw/zinc/17/39/32/387173932.db2.gz SXHGYTQJYIAEID-HIFRSBDPSA-N 1 3 245.370 1.917 20 0 BDADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cccc(CO)c1 ZINC000423335392 387184579 /nfs/dbraw/zinc/18/45/79/387184579.db2.gz XGMNRZQAXXRCKR-YGRLFVJLSA-N 1 3 234.343 1.567 20 0 BDADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CNC2)cc1 ZINC000423302852 387135181 /nfs/dbraw/zinc/13/51/81/387135181.db2.gz KSVPUQPVRHJMTL-VXGBXAGGSA-N 1 3 248.370 1.996 20 0 BDADHO COc1ccc([C@H](C)[C@@H](C)NCC2C[NH2+]C2)cc1 ZINC000423302852 387135186 /nfs/dbraw/zinc/13/51/86/387135186.db2.gz KSVPUQPVRHJMTL-VXGBXAGGSA-N 1 3 248.370 1.996 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2c(O)cccc21 ZINC000423305036 387137068 /nfs/dbraw/zinc/13/70/68/387137068.db2.gz JYUJLQLZYLVVOC-ZWNOBZJWSA-N 1 3 234.343 1.954 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CCCc2c(O)cccc21 ZINC000423304129 387137443 /nfs/dbraw/zinc/13/74/43/387137443.db2.gz JYUJLQLZYLVVOC-MFKMUULPSA-N 1 3 234.343 1.954 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2C[NH2+]C2)C12CCC2 ZINC000423303619 387137860 /nfs/dbraw/zinc/13/78/60/387137860.db2.gz MCIIPDGOEIUZDO-VXGBXAGGSA-N 1 3 224.348 1.143 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CNC2)C12CCC2 ZINC000423303619 387137867 /nfs/dbraw/zinc/13/78/67/387137867.db2.gz MCIIPDGOEIUZDO-VXGBXAGGSA-N 1 3 224.348 1.143 20 0 BDADHO C1CC1[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC1 ZINC000423426330 387252529 /nfs/dbraw/zinc/25/25/29/387252529.db2.gz HTPASWOSGLQPML-QNWHQSFQSA-N 1 3 206.333 1.373 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000423356846 387207343 /nfs/dbraw/zinc/20/73/43/387207343.db2.gz HHAHSCUENOMZDC-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364138 387215807 /nfs/dbraw/zinc/21/58/07/387215807.db2.gz ATVSQSNRDRWKBH-FDYHWXHSSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423367650 387218205 /nfs/dbraw/zinc/21/82/05/387218205.db2.gz YQSFNXBNEBBDNR-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1COCC ZINC000423367738 387222073 /nfs/dbraw/zinc/22/20/73/387222073.db2.gz ALXFQKJLEMABRS-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCSCC1 ZINC000423428006 387253122 /nfs/dbraw/zinc/25/31/22/387253122.db2.gz IUSIMXOHTUFAJI-OHBODLIOSA-N 1 3 226.389 1.326 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@H]1C)CN1CCCCC1 ZINC000120344086 387231107 /nfs/dbraw/zinc/23/11/07/387231107.db2.gz OHMKKILIKZWHLE-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@H]1CCO[C@H]1C)C[NH+]1CCCCC1 ZINC000120344086 387231110 /nfs/dbraw/zinc/23/11/10/387231110.db2.gz OHMKKILIKZWHLE-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[NH2+][C@H](C)CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397613 387232717 /nfs/dbraw/zinc/23/27/17/387232717.db2.gz SRLZUOFRNJPFRM-FVCCEPFGSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H](NCC1CC[NH2+]CC1)c1ccncc1F ZINC000643497344 387239443 /nfs/dbraw/zinc/23/94/43/387239443.db2.gz IMJHHUYBDXSPFJ-SNVBAGLBSA-N 1 3 237.322 1.871 20 0 BDADHO C[C@H](NCC1CC[NH2+]CC1)c1ccncc1F ZINC000643497343 387239735 /nfs/dbraw/zinc/23/97/35/387239735.db2.gz IMJHHUYBDXSPFJ-JTQLQIEISA-N 1 3 237.322 1.871 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CN1C1CC1 ZINC000423403616 387241818 /nfs/dbraw/zinc/24/18/18/387241818.db2.gz YQXCHVDGZGMPDU-UHXUPSOCSA-N 1 3 237.391 1.342 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C1CCCC1 ZINC000423407742 387243295 /nfs/dbraw/zinc/24/32/95/387243295.db2.gz WJAHQVSTQFCRJP-UBHSHLNASA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)C1CCCC1 ZINC000423407742 387243301 /nfs/dbraw/zinc/24/33/01/387243301.db2.gz WJAHQVSTQFCRJP-UBHSHLNASA-N 1 3 240.391 1.779 20 0 BDADHO CSCC[N@H+](C)CC[C@@H]1CCCN1C ZINC000120414576 387244455 /nfs/dbraw/zinc/24/44/55/387244455.db2.gz WLLVJBUFSGRONN-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CSCC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000120414576 387244460 /nfs/dbraw/zinc/24/44/60/387244460.db2.gz WLLVJBUFSGRONN-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCNC[C@H]2C)CC1 ZINC000423408588 387245176 /nfs/dbraw/zinc/24/51/76/387245176.db2.gz XRZDOISRDYAFDB-BLYZHGLHSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@]1(CN[C@@H](C)[C@@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414002 387245627 /nfs/dbraw/zinc/24/56/27/387245627.db2.gz LVEKMQZXEPERPQ-SGMGOOAPSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NCC1=CC[NH2+]CC1)c1cccc(CO)c1 ZINC000423347041 387197393 /nfs/dbraw/zinc/19/73/93/387197393.db2.gz PXMGAXIWAYQPFD-LBPRGKRZSA-N 1 3 246.354 1.749 20 0 BDADHO CCN(C)CCNC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000395701501 387310277 /nfs/dbraw/zinc/31/02/77/387310277.db2.gz BAWYCAPAKPEQEN-NSHDSACASA-N 1 3 243.395 1.079 20 0 BDADHO C[C@@H](C[NH3+])CNC(=O)c1ccccc1CN(C)C ZINC000423461671 387310488 /nfs/dbraw/zinc/31/04/88/387310488.db2.gz SYNDONZPKUJVLY-NSHDSACASA-N 1 3 249.358 1.073 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1C[C@@H](OC)C1(CC)CC ZINC000423464607 387313261 /nfs/dbraw/zinc/31/32/61/387313261.db2.gz MGLSPPFRYBHZIF-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO C1CC2(CCCC2)[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428980 387254630 /nfs/dbraw/zinc/25/46/30/387254630.db2.gz JTDRCRZYRJQKPP-WHOHXGKFSA-N 1 3 206.333 1.517 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C12CCC2 ZINC000423379484 387263279 /nfs/dbraw/zinc/26/32/79/387263279.db2.gz XSXGOUCRDMBCGN-ZDEQEGDKSA-N 1 3 238.375 1.804 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C12CCC2 ZINC000423379484 387263284 /nfs/dbraw/zinc/26/32/84/387263284.db2.gz XSXGOUCRDMBCGN-ZDEQEGDKSA-N 1 3 238.375 1.804 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC000423382190 387264982 /nfs/dbraw/zinc/26/49/82/387264982.db2.gz OCLWRKZSQTVNCN-BLYZHGLHSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000423391840 387277151 /nfs/dbraw/zinc/27/71/51/387277151.db2.gz LDKVJQNAXFCYSV-ZANVPECISA-N 1 3 220.316 1.706 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1NCCc2ccccc21 ZINC000423443323 387293359 /nfs/dbraw/zinc/29/33/59/387293359.db2.gz WYNSXBLWKGHEFA-KFWWJZLASA-N 1 3 245.370 1.343 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](CCO)c2ccccc2)C1 ZINC000514799063 387295780 /nfs/dbraw/zinc/29/57/80/387295780.db2.gz SQWYXVUCEQXAFL-RBSFLKMASA-N 1 3 248.370 1.970 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423449810 387300266 /nfs/dbraw/zinc/30/02/66/387300266.db2.gz SEKJDAHDRBSGCU-HGCLJGPKSA-N 1 3 226.364 1.515 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccs2)C1 ZINC000160571647 387303516 /nfs/dbraw/zinc/30/35/16/387303516.db2.gz UIPRNJNAECUJFO-VHSXEESVSA-N 1 3 210.346 1.917 20 0 BDADHO CC[C@H](N)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423459405 387306644 /nfs/dbraw/zinc/30/66/44/387306644.db2.gz HYPXTPGJXTYYRI-GWCFXTLKSA-N 1 3 222.332 1.567 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643501845 387354511 /nfs/dbraw/zinc/35/45/11/387354511.db2.gz QZRPMHCQYGYWBU-MBNYWOFBSA-N 1 3 237.391 1.201 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423481544 387364064 /nfs/dbraw/zinc/36/40/64/387364064.db2.gz WVPXGTNHHCKIJT-IRCOFANPSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](CC)C1(C(=O)OC)CCC1 ZINC000423481622 387364658 /nfs/dbraw/zinc/36/46/58/387364658.db2.gz XAHKGKWOSZCDIH-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H](Cc1ccoc1)NCCC[NH2+]C1CC1 ZINC000423542040 387365451 /nfs/dbraw/zinc/36/54/51/387365451.db2.gz ANMCHJASFURGRE-NSHDSACASA-N 1 3 222.332 1.942 20 0 BDADHO C[C@@H](Cc1ccoc1)[NH2+]CCCNC1CC1 ZINC000423542040 387365455 /nfs/dbraw/zinc/36/54/55/387365455.db2.gz ANMCHJASFURGRE-NSHDSACASA-N 1 3 222.332 1.942 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423551014 387372268 /nfs/dbraw/zinc/37/22/68/387372268.db2.gz JDAHFUIBMBTYSY-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@@H](F)C1 ZINC000515384207 387372756 /nfs/dbraw/zinc/37/27/56/387372756.db2.gz DHFQLKQCEMYUOP-WYUUTHIRSA-N 1 3 214.328 1.855 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423551012 387373313 /nfs/dbraw/zinc/37/33/13/387373313.db2.gz JDAHFUIBMBTYSY-IHRRRGAJSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1COCC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423568585 387377102 /nfs/dbraw/zinc/37/71/02/387377102.db2.gz VPTRFWIYWYLVLH-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1COCC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423568584 387378315 /nfs/dbraw/zinc/37/83/15/387378315.db2.gz VPTRFWIYWYLVLH-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423475181 387322685 /nfs/dbraw/zinc/32/26/85/387322685.db2.gz RSMAMGGZIVFPCY-RVMXOQNASA-N 1 3 238.375 1.661 20 0 BDADHO Cc1cc(N)cc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423483114 387329546 /nfs/dbraw/zinc/32/95/46/387329546.db2.gz RZZHDQOXVCYQRT-TZMCWYRMSA-N 1 3 233.359 1.794 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOCC(F)(F)F ZINC000303392460 387349236 /nfs/dbraw/zinc/34/92/36/387349236.db2.gz ZWOHNBUTJMQEFT-VIFPVBQESA-N 1 3 242.285 1.528 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000306572188 387428620 /nfs/dbraw/zinc/42/86/20/387428620.db2.gz HOKXRASAFOIQSB-ZNSHCXBVSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000306572188 387428623 /nfs/dbraw/zinc/42/86/23/387428623.db2.gz HOKXRASAFOIQSB-ZNSHCXBVSA-N 1 3 214.378 1.597 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000352669230 387429873 /nfs/dbraw/zinc/42/98/73/387429873.db2.gz YEHNXNXRTDEZRY-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000352669230 387429876 /nfs/dbraw/zinc/42/98/76/387429876.db2.gz YEHNXNXRTDEZRY-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCC1(CO)CCCCC1 ZINC000643466262 387387587 /nfs/dbraw/zinc/38/75/87/387387587.db2.gz NNSJSLLVFCYVKY-VXGBXAGGSA-N 1 3 226.364 1.399 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470991 387478129 /nfs/dbraw/zinc/47/81/29/387478129.db2.gz FNGYGIOXNILQJO-IGQOVBAYSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471223 387480119 /nfs/dbraw/zinc/48/01/19/387480119.db2.gz FNGYGIOXNILQJO-GFJIZPEISA-N 1 3 240.391 1.515 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000375851005 387587326 /nfs/dbraw/zinc/58/73/26/387587326.db2.gz KJUVZUYVYPQCMD-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000528757999 387588729 /nfs/dbraw/zinc/58/87/29/387588729.db2.gz DNAZBQWXDKXHNG-XVIXHAIJSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000528757999 387588730 /nfs/dbraw/zinc/58/87/30/387588730.db2.gz DNAZBQWXDKXHNG-XVIXHAIJSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000528757999 387588733 /nfs/dbraw/zinc/58/87/33/387588733.db2.gz DNAZBQWXDKXHNG-XVIXHAIJSA-N 1 3 240.391 1.872 20 0 BDADHO CC[C@H](NCCN(C)CC)[C@H]1CCCC[NH2+]1 ZINC000422717006 387629106 /nfs/dbraw/zinc/62/91/06/387629106.db2.gz NXEXZOUMPJPEIV-QWHCGFSZSA-N 1 3 227.396 1.448 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422705409 387620883 /nfs/dbraw/zinc/62/08/83/387620883.db2.gz BTYYQISQONXUKD-WHOHXGKFSA-N 1 3 214.353 1.110 20 0 BDADHO Cn1cc(CCN[C@@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422708688 387623180 /nfs/dbraw/zinc/62/31/80/387623180.db2.gz CFWFEBROOFPOKK-QWHCGFSZSA-N 1 3 236.363 1.212 20 0 BDADHO CCCCN(C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422708811 387623806 /nfs/dbraw/zinc/62/38/06/387623806.db2.gz JKDJKQCIRVZOOD-UONOGXRCSA-N 1 3 241.423 1.839 20 0 BDADHO CCCCN(C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422708927 387624217 /nfs/dbraw/zinc/62/42/17/387624217.db2.gz JVXFOPUSMXIDOH-CHWSQXEVSA-N 1 3 227.396 1.435 20 0 BDADHO CCCCN(C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422712486 387625614 /nfs/dbraw/zinc/62/56/14/387625614.db2.gz OHIRKFQXEDKTNB-VXGBXAGGSA-N 1 3 215.385 1.434 20 0 BDADHO CN(C)CCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000037051640 387560705 /nfs/dbraw/zinc/56/07/05/387560705.db2.gz XBNLSNITSGALKU-LBPRGKRZSA-N 1 3 236.363 1.339 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422718878 387630831 /nfs/dbraw/zinc/63/08/31/387630831.db2.gz XXYKPVOMYWLDFR-SDDRHHMPSA-N 1 3 214.353 1.253 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CCCOC(C)C)C1 ZINC000430625499 387636329 /nfs/dbraw/zinc/63/63/29/387636329.db2.gz JNKZWXJENRNNJJ-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1nccn1CCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422726411 387636733 /nfs/dbraw/zinc/63/67/33/387636733.db2.gz ZUMNBXDAOBPYAB-AAEUAGOBSA-N 1 3 236.363 1.312 20 0 BDADHO CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422725472 387636958 /nfs/dbraw/zinc/63/69/58/387636958.db2.gz BMGOUNKUYOTKHU-HZSPNIEDSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422730619 387638164 /nfs/dbraw/zinc/63/81/64/387638164.db2.gz MIEDPHMQKXWFHR-RYUDHWBXSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc2c(c1)CCO2 ZINC000422730619 387638167 /nfs/dbraw/zinc/63/81/67/387638167.db2.gz MIEDPHMQKXWFHR-RYUDHWBXSA-N 1 3 248.370 1.879 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422728414 387638739 /nfs/dbraw/zinc/63/87/39/387638739.db2.gz GHLOEUQKDSDJNK-GRYCIOLGSA-N 1 3 214.353 1.374 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422734693 387642673 /nfs/dbraw/zinc/64/26/73/387642673.db2.gz SUNDHNIFYDDMIO-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CCOCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422734690 387644053 /nfs/dbraw/zinc/64/40/53/387644053.db2.gz SUNDHNIFYDDMIO-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO COCCCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422734673 387644185 /nfs/dbraw/zinc/64/41/85/387644185.db2.gz UQAIJBDBHYLJTK-TZMCWYRMSA-N 1 3 236.359 1.571 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422747456 387651047 /nfs/dbraw/zinc/65/10/47/387651047.db2.gz YSMISYMCUHVGNP-BNOWGMLFSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000422747456 387651049 /nfs/dbraw/zinc/65/10/49/387651049.db2.gz YSMISYMCUHVGNP-BNOWGMLFSA-N 1 3 237.391 1.473 20 0 BDADHO CCN(CC)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422749165 387652926 /nfs/dbraw/zinc/65/29/26/387652926.db2.gz XVQLAJUOQMCNEJ-OLZOCXBDSA-N 1 3 227.396 1.306 20 0 BDADHO CC(C)COCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422794553 387695440 /nfs/dbraw/zinc/69/54/40/387695440.db2.gz ZAGZBUAGEQAHRZ-CHWSQXEVSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](NCCn1cnc2ccccc21)C1C[NH2+]C1 ZINC000422755296 387657469 /nfs/dbraw/zinc/65/74/69/387657469.db2.gz GPRIVZLHXUUYLV-LLVKDONJSA-N 1 3 244.342 1.234 20 0 BDADHO C[C@@H]([NH2+]CCn1cnc2ccccc21)C1CNC1 ZINC000422755296 387657472 /nfs/dbraw/zinc/65/74/72/387657472.db2.gz GPRIVZLHXUUYLV-LLVKDONJSA-N 1 3 244.342 1.234 20 0 BDADHO CC[C@@H](NC[C@H]1CCCN1CC)[C@@H]1CCC[NH2+]1 ZINC000422755599 387658955 /nfs/dbraw/zinc/65/89/55/387658955.db2.gz KRGHPSQDGCUDHO-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424136235 387660237 /nfs/dbraw/zinc/66/02/37/387660237.db2.gz QOPZZOPUXKVDHN-NEPJUHHUSA-N 1 3 233.315 1.034 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCn1ccnc1 ZINC000422757800 387660584 /nfs/dbraw/zinc/66/05/84/387660584.db2.gz MYPRTUPMORXVRX-VXGBXAGGSA-N 1 3 222.336 1.133 20 0 BDADHO CCCC[C@H](COC)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422761653 387662377 /nfs/dbraw/zinc/66/23/77/387662377.db2.gz RJVSAJFCVLFXOM-SDDRHHMPSA-N 1 3 216.369 1.907 20 0 BDADHO CC(C)OCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000422762445 387663078 /nfs/dbraw/zinc/66/30/78/387663078.db2.gz NQMUMZUNQIOCHG-QWRGUYRKSA-N 1 3 202.342 1.517 20 0 BDADHO C[C@H](NCCCNc1ccccc1)C1C[NH2+]C1 ZINC000422763676 387665602 /nfs/dbraw/zinc/66/56/02/387665602.db2.gz UITWXELRXPFETL-LBPRGKRZSA-N 1 3 233.359 1.686 20 0 BDADHO C[C@H]([NH2+]CCCNc1ccccc1)C1CNC1 ZINC000422763676 387665607 /nfs/dbraw/zinc/66/56/07/387665607.db2.gz UITWXELRXPFETL-LBPRGKRZSA-N 1 3 233.359 1.686 20 0 BDADHO COc1cc(C[NH2+][C@H]2CCC[C@H]2N)ccc1C ZINC000422768948 387667530 /nfs/dbraw/zinc/66/75/30/387667530.db2.gz VDTNENDRTAHMOC-OLZOCXBDSA-N 1 3 234.343 1.973 20 0 BDADHO C[C@H](NCCC1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000305952323 387669070 /nfs/dbraw/zinc/66/90/70/387669070.db2.gz NFKXYUFEGZVZPR-NSHDSACASA-N 1 3 236.363 1.792 20 0 BDADHO OC[C@@H](CNC1CC[NH2+]CC1)Cc1ccccc1 ZINC000422772915 387669458 /nfs/dbraw/zinc/66/94/58/387669458.db2.gz ZHEDSLCHOOGSFL-CQSZACIVSA-N 1 3 248.370 1.179 20 0 BDADHO OC[C@@H](C[NH2+]C1CCNCC1)Cc1ccccc1 ZINC000422772915 387669467 /nfs/dbraw/zinc/66/94/67/387669467.db2.gz ZHEDSLCHOOGSFL-CQSZACIVSA-N 1 3 248.370 1.179 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCN1CCCC1 ZINC000422770153 387670359 /nfs/dbraw/zinc/67/03/59/387670359.db2.gz UKRATVYCCOXEHR-CHWSQXEVSA-N 1 3 225.380 1.332 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CCCC1 ZINC000422770153 387670365 /nfs/dbraw/zinc/67/03/65/387670365.db2.gz UKRATVYCCOXEHR-CHWSQXEVSA-N 1 3 225.380 1.332 20 0 BDADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000422783523 387682703 /nfs/dbraw/zinc/68/27/03/387682703.db2.gz OFQAFGBGCOVDOF-NDBYEHHHSA-N 1 3 225.380 1.057 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422791547 387692037 /nfs/dbraw/zinc/69/20/37/387692037.db2.gz YQLUZCCCNJWEJZ-FRRDWIJNSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000643526068 387754335 /nfs/dbraw/zinc/75/43/35/387754335.db2.gz OPHSHPHCKBJTJY-VXGBXAGGSA-N 1 3 244.342 1.870 20 0 BDADHO C[C@H](NCCc1ccsc1)C1C[NH2+]C1 ZINC000422801346 387702000 /nfs/dbraw/zinc/70/20/00/387702000.db2.gz BTJXMIPDAAEDGL-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO C[C@H]([NH2+]CCc1ccsc1)C1CNC1 ZINC000422801346 387702007 /nfs/dbraw/zinc/70/20/07/387702007.db2.gz BTJXMIPDAAEDGL-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO CSCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000377262466 387708508 /nfs/dbraw/zinc/70/85/08/387708508.db2.gz PGXDHQQZFPTALP-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CSCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000377262466 387708510 /nfs/dbraw/zinc/70/85/10/387708510.db2.gz PGXDHQQZFPTALP-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCC[C@H]1N ZINC000422817310 387714315 /nfs/dbraw/zinc/71/43/15/387714315.db2.gz CVIXQBNJZTXAFE-NEPJUHHUSA-N 1 3 213.369 1.188 20 0 BDADHO CC(C)C[C@H](CN[C@H](C)C1C[NH2+]C1)N(C)C ZINC000422817385 387715464 /nfs/dbraw/zinc/71/54/64/387715464.db2.gz HMQFPQWNXHZHQT-DGCLKSJQSA-N 1 3 227.396 1.160 20 0 BDADHO Cc1nc(CCN[C@H](C)C[C@H](C)[NH3+])cs1 ZINC000422821905 387716630 /nfs/dbraw/zinc/71/66/30/387716630.db2.gz ZEQWAXABDCBPON-DTWKUNHWSA-N 1 3 227.377 1.709 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000643521781 387716737 /nfs/dbraw/zinc/71/67/37/387716737.db2.gz BNGGJORYQXSYBG-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1nc(CCN[C@@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422821904 387718151 /nfs/dbraw/zinc/71/81/51/387718151.db2.gz ZEQWAXABDCBPON-BDAKNGLRSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000367513878 387719135 /nfs/dbraw/zinc/71/91/35/387719135.db2.gz OUFPHNUJIJWSLG-VHSXEESVSA-N 1 3 247.342 1.254 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCCNc1ccccn1 ZINC000422838787 387728085 /nfs/dbraw/zinc/72/80/85/387728085.db2.gz YBYLWLUFDRDCIJ-RYUDHWBXSA-N 1 3 234.347 1.353 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422789774 387732952 /nfs/dbraw/zinc/73/29/52/387732952.db2.gz WYTSWMAZJQPLPX-JHJVBQTASA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422789774 387732957 /nfs/dbraw/zinc/73/29/57/387732957.db2.gz WYTSWMAZJQPLPX-JHJVBQTASA-N 1 3 228.380 1.371 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C12CCCC2 ZINC000643527159 387764264 /nfs/dbraw/zinc/76/42/64/387764264.db2.gz KFVSNHAONOYAKJ-IJLUTSLNSA-N 1 3 226.364 1.661 20 0 BDADHO CC(C)[C@H]([NH2+]C[C@H](C)N)c1cccnc1 ZINC000643528654 387770723 /nfs/dbraw/zinc/77/07/23/387770723.db2.gz MOIVNLDIDXREIM-JQWIXIFHSA-N 1 3 207.321 1.716 20 0 BDADHO CN(C)c1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422914882 387771833 /nfs/dbraw/zinc/77/18/33/387771833.db2.gz WJEUXSUXJTZMJJ-GXTWGEPZSA-N 1 3 247.386 1.970 20 0 BDADHO COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](C)N ZINC000643529007 387772997 /nfs/dbraw/zinc/77/29/97/387772997.db2.gz SOHRYANSXCKPNL-BXKDBHETSA-N 1 3 220.316 1.619 20 0 BDADHO COC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217731 387779146 /nfs/dbraw/zinc/77/91/46/387779146.db2.gz UPULBHXGRKMVNR-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000130217731 387779153 /nfs/dbraw/zinc/77/91/53/387779153.db2.gz UPULBHXGRKMVNR-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H](OC)C1 ZINC000643530004 387780756 /nfs/dbraw/zinc/78/07/56/387780756.db2.gz WRMOCQCJTSDZHK-GRYCIOLGSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000422899668 387785573 /nfs/dbraw/zinc/78/55/73/387785573.db2.gz IBFQQMRIRLDDQN-MROQNXINSA-N 1 3 226.364 1.661 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947868 387785664 /nfs/dbraw/zinc/78/56/64/387785664.db2.gz QPPXJGAOHFOMIN-QWHCGFSZSA-N 1 3 238.306 1.674 20 0 BDADHO CC(C)[C@](C)(O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422982578 387794396 /nfs/dbraw/zinc/79/43/96/387794396.db2.gz WYVABTCBTSRCBW-ZGVCCVRISA-N 1 3 226.364 1.266 20 0 BDADHO CC[C@H](NCC(C)(C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000422985708 387795784 /nfs/dbraw/zinc/79/57/84/387795784.db2.gz FWRORUYIYFNPJY-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@H]([NH2+]CC(C)(C)CCCO)[C@@H]1CCCN1 ZINC000422985708 387795785 /nfs/dbraw/zinc/79/57/85/387795785.db2.gz FWRORUYIYFNPJY-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423001243 387805408 /nfs/dbraw/zinc/80/54/08/387805408.db2.gz DIRPBVWDSLQMJO-SYQHCUMBSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)COCC(F)(F)F ZINC000422949171 387807097 /nfs/dbraw/zinc/80/70/97/387807097.db2.gz UHDZPAXZOYOTBY-CIUDSAMLSA-N 1 3 242.285 1.669 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H](C)C[C@H](C)N ZINC000423001909 387807782 /nfs/dbraw/zinc/80/77/82/387807782.db2.gz FGTCFQYDXAGXSO-QJPTWQEYSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422950578 387807984 /nfs/dbraw/zinc/80/79/84/387807984.db2.gz YKDGVDDMLHQQIU-FIQHERPVSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423002481 387808278 /nfs/dbraw/zinc/80/82/78/387808278.db2.gz JJGLJWVPFKGBMD-WDEREUQCSA-N 1 3 246.358 1.821 20 0 BDADHO COc1ccc([C@H]2CC[N@H+](C[C@H](C)N)C2)cc1 ZINC000442658964 387813445 /nfs/dbraw/zinc/81/34/45/387813445.db2.gz AMQPSZJQMMDHPP-AAEUAGOBSA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@H]2CC[N@@H+](C[C@H](C)N)C2)cc1 ZINC000442658964 387813450 /nfs/dbraw/zinc/81/34/50/387813450.db2.gz AMQPSZJQMMDHPP-AAEUAGOBSA-N 1 3 234.343 1.832 20 0 BDADHO CC1(C)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422954436 387810185 /nfs/dbraw/zinc/81/01/85/387810185.db2.gz IRUWPBVSAJBHAR-YIBTVLSRSA-N 1 3 208.349 1.905 20 0 BDADHO CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCCC1 ZINC000422965225 387813575 /nfs/dbraw/zinc/81/35/75/387813575.db2.gz OAANIULYFJDDID-IHRRRGAJSA-N 1 3 239.407 1.576 20 0 BDADHO CCN(CCN[C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000422882464 387758383 /nfs/dbraw/zinc/75/83/83/387758383.db2.gz SIRKYMFUGKFYFP-WCQYABFASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000422887632 387760596 /nfs/dbraw/zinc/76/05/96/387760596.db2.gz LDBZJGHUGZUBTD-MRTXSQPYSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@H]1CCCN1 ZINC000422887632 387760603 /nfs/dbraw/zinc/76/06/03/387760603.db2.gz LDBZJGHUGZUBTD-MRTXSQPYSA-N 1 3 238.375 1.674 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422972620 387822117 /nfs/dbraw/zinc/82/21/17/387822117.db2.gz AATUPBSKVCDZBU-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422974569 387823206 /nfs/dbraw/zinc/82/32/06/387823206.db2.gz FJPQQSRCVKVCGJ-JHJVBQTASA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H]([NH2+]CC1Cc2ccccc2C1)C1CNC1 ZINC000422975589 387824281 /nfs/dbraw/zinc/82/42/81/387824281.db2.gz BMZUJYUIENTQOJ-NSHDSACASA-N 1 3 230.355 1.599 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCNCC1 ZINC000422974276 387824428 /nfs/dbraw/zinc/82/44/28/387824428.db2.gz QTNSTEPANUPMCL-LLVKDONJSA-N 1 3 234.343 1.665 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)NC1CC[NH2+]CC1 ZINC000422974276 387824430 /nfs/dbraw/zinc/82/44/30/387824430.db2.gz QTNSTEPANUPMCL-LLVKDONJSA-N 1 3 234.343 1.665 20 0 BDADHO COc1cccc(CCN[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000423005028 387825508 /nfs/dbraw/zinc/82/55/08/387825508.db2.gz LMTJHSRFCARNSM-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO COc1cccc(CC[NH2+][C@@H](C)C[C@H](C)N)n1 ZINC000423005028 387825512 /nfs/dbraw/zinc/82/55/12/387825512.db2.gz LMTJHSRFCARNSM-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000423004629 387826270 /nfs/dbraw/zinc/82/62/70/387826270.db2.gz KKGZGVCRNHRRBL-RQJABVFESA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)(C)N1CCC([NH2+]CC2COC2)CC1 ZINC000528024339 387828416 /nfs/dbraw/zinc/82/84/16/387828416.db2.gz JMJUSAORBNCBFB-UHFFFAOYSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1cnccc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000423009336 387831243 /nfs/dbraw/zinc/83/12/43/387831243.db2.gz CSOYRVVJFJFOFA-NWDGAFQWSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H]([NH2+]CCC1Cc2ccccc2C1)C1CNC1 ZINC000423009158 387831790 /nfs/dbraw/zinc/83/17/90/387831790.db2.gz CIVABWRKWXEWLI-GFCCVEGCSA-N 1 3 244.382 1.989 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000423011332 387833380 /nfs/dbraw/zinc/83/33/80/387833380.db2.gz IQIOMKMACSITBD-CIUDSAMLSA-N 1 3 240.269 1.017 20 0 BDADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000423016417 387840349 /nfs/dbraw/zinc/84/03/49/387840349.db2.gz SVZSKOWKJIORPH-YJBUHQLJSA-N 1 3 238.375 1.817 20 0 BDADHO CC(C)[C@@H](O)C1(CN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018260 387842044 /nfs/dbraw/zinc/84/20/44/387842044.db2.gz QNSZNGZNKGFHDI-SDDRHHMPSA-N 1 3 228.380 1.499 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cnc(C)s1 ZINC000629529770 387873755 /nfs/dbraw/zinc/87/37/55/387873755.db2.gz MLNDCNHMPRITRZ-VIFPVBQESA-N 1 3 243.376 1.338 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000643459638 387847532 /nfs/dbraw/zinc/84/75/32/387847532.db2.gz IGSIEAZUTOMHQG-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](N[C@H]1CCCN(C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032730 387849407 /nfs/dbraw/zinc/84/94/07/387849407.db2.gz NBGCKNMQVKTMKI-CYDGBPFRSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC1Cc2ccccc2C1 ZINC000423031906 387849530 /nfs/dbraw/zinc/84/95/30/387849530.db2.gz DWNSPLILUPUUEE-QWRGUYRKSA-N 1 3 218.344 1.869 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000423031906 387849533 /nfs/dbraw/zinc/84/95/33/387849533.db2.gz DWNSPLILUPUUEE-QWRGUYRKSA-N 1 3 218.344 1.869 20 0 BDADHO C[C@H](N[C@H]1CCCN(C)[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032733 387849687 /nfs/dbraw/zinc/84/96/87/387849687.db2.gz NBGCKNMQVKTMKI-RNJOBUHISA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000423036527 387851516 /nfs/dbraw/zinc/85/15/16/387851516.db2.gz UGTUCRUDNYMTQH-CYDGBPFRSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H](CN1CCCCCC1)N[C@H]1CC[NH2+]C1 ZINC000423045093 387854978 /nfs/dbraw/zinc/85/49/78/387854978.db2.gz BKOQHUXERASUAI-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@H](CO)c1ccsc1 ZINC000423049337 387857146 /nfs/dbraw/zinc/85/71/46/387857146.db2.gz JPLZYNZXBLYZEP-CMPLNLGQSA-N 1 3 242.388 1.889 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000423047938 387857542 /nfs/dbraw/zinc/85/75/42/387857542.db2.gz HTWVNQWGECMEQF-AUZPSNTRSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](C)C(F)(F)F ZINC000423051898 387859857 /nfs/dbraw/zinc/85/98/57/387859857.db2.gz OOGKCFGRXOOMBW-GJMOJQLCSA-N 1 3 212.259 1.900 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000423054703 387863132 /nfs/dbraw/zinc/86/31/32/387863132.db2.gz CCFVKDALUDVPNU-MEBFFEOJSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000423060695 387865687 /nfs/dbraw/zinc/86/56/87/387865687.db2.gz PASANMSELWYRJS-HTOAHKCRSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(N(C)C)CCC1 ZINC000423063118 387867848 /nfs/dbraw/zinc/86/78/48/387867848.db2.gz VNGLZRGTHRVOBQ-GHMZBOCLSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066581 387869195 /nfs/dbraw/zinc/86/91/95/387869195.db2.gz XHTWBXCQJCOSIP-QNWJLWSRSA-N 1 3 226.364 1.517 20 0 BDADHO CC(C)[C@H]([NH2+][C@@H](C)C[C@H](C)N)C(C)(C)O ZINC000423068266 387870310 /nfs/dbraw/zinc/87/03/10/387870310.db2.gz BIZMPDLJWWTZGG-DCAQKATOSA-N 1 3 216.369 1.497 20 0 BDADHO C[C@H](NC[C@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069743 387871691 /nfs/dbraw/zinc/87/16/91/387871691.db2.gz BSKUBOJFAWAYJV-SMDDNHRTSA-N 1 3 237.391 1.201 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000423069829 387871731 /nfs/dbraw/zinc/87/17/31/387871731.db2.gz MJJVDYPTFOZCEF-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478241 387813689 /nfs/dbraw/zinc/81/36/89/387813689.db2.gz KPPACLWDZOWIML-HUUCEWRRSA-N 1 3 248.370 1.438 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000442659423 387814182 /nfs/dbraw/zinc/81/41/82/387814182.db2.gz KMUBIIRZYIBXAK-JSGCOSHPSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000442659423 387814184 /nfs/dbraw/zinc/81/41/84/387814184.db2.gz KMUBIIRZYIBXAK-JSGCOSHPSA-N 1 3 218.344 1.898 20 0 BDADHO CC(C)SCCN[C@H]1CCC[C@H]1[NH3+] ZINC000423103235 387889786 /nfs/dbraw/zinc/88/97/86/387889786.db2.gz GAIAWYHUNKYZNW-ZJUUUORDSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423106911 387890541 /nfs/dbraw/zinc/89/05/41/387890541.db2.gz RQHKINRYOXASCU-SCRDCRAPSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](CO)CC1CCCC1 ZINC000423106911 387890545 /nfs/dbraw/zinc/89/05/45/387890545.db2.gz RQHKINRYOXASCU-SCRDCRAPSA-N 1 3 242.407 1.891 20 0 BDADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000423115939 387898842 /nfs/dbraw/zinc/89/88/42/387898842.db2.gz ZBXBHQWHMJXBMF-RWMBFGLXSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000423109262 387892584 /nfs/dbraw/zinc/89/25/84/387892584.db2.gz URSSJXMGGNYMNO-PEDHHIEDSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc2c[nH]nc2c1 ZINC000423110100 387894428 /nfs/dbraw/zinc/89/44/28/387894428.db2.gz ULVNKMCNVAGXRL-MNOVXSKESA-N 1 3 246.358 1.821 20 0 BDADHO COCC[C@H]([NH2+][C@@H]1CCNC1)C(C)(C)C ZINC000423115096 387895756 /nfs/dbraw/zinc/89/57/56/387895756.db2.gz MSMMBHCKANVVJN-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](NCCN1CCCC(C)(C)C1)C1C[NH2+]C1 ZINC000423078329 387877318 /nfs/dbraw/zinc/87/73/18/387877318.db2.gz VRTKHYZANWDMQT-LBPRGKRZSA-N 1 3 239.407 1.306 20 0 BDADHO COCC1(C[NH2+][C@H](C)C[C@H](C)N)CCC1 ZINC000423117076 387898567 /nfs/dbraw/zinc/89/85/67/387898567.db2.gz SUVGTCBJSCTUKQ-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](NCCCc1ccccc1F)C1C[NH2+]C1 ZINC000423099361 387887269 /nfs/dbraw/zinc/88/72/69/387887269.db2.gz TXXUYDQUFYPGKQ-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO C[C@H]([NH2+]CCCc1ccccc1F)C1CNC1 ZINC000423099361 387887273 /nfs/dbraw/zinc/88/72/73/387887273.db2.gz TXXUYDQUFYPGKQ-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000423099401 387887813 /nfs/dbraw/zinc/88/78/13/387887813.db2.gz UCRRSLXKCVIGKF-WRWGMCAJSA-N 1 3 240.347 1.188 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H](CO)CC1CCCC1 ZINC000423103395 387889049 /nfs/dbraw/zinc/88/90/49/387889049.db2.gz PJIJYSPKKLMWMZ-MCIONIFRSA-N 1 3 240.391 1.645 20 0 BDADHO COc1ncccc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423141702 387919001 /nfs/dbraw/zinc/91/90/01/387919001.db2.gz RJWGSVZTFQWCLO-OLZOCXBDSA-N 1 3 249.358 1.350 20 0 BDADHO COc1ncccc1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000423141702 387919006 /nfs/dbraw/zinc/91/90/06/387919006.db2.gz RJWGSVZTFQWCLO-OLZOCXBDSA-N 1 3 249.358 1.350 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000423119579 387900429 /nfs/dbraw/zinc/90/04/29/387900429.db2.gz DYXZRWGYTRIOTO-GARJFASQSA-N 1 3 216.394 1.845 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](CO)CC1CCC1 ZINC000423130150 387908371 /nfs/dbraw/zinc/90/83/71/387908371.db2.gz MOXQEZIWFNJWIA-HOSYDEDBSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000423133418 387912428 /nfs/dbraw/zinc/91/24/28/387912428.db2.gz KIQWJEVQDUQLIM-SGMGOOAPSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](CO)C1CCCCC1 ZINC000423133418 387912430 /nfs/dbraw/zinc/91/24/30/387912430.db2.gz KIQWJEVQDUQLIM-SGMGOOAPSA-N 1 3 242.407 1.891 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@H](C)C[C@H](C)[NH3+] ZINC000423153012 387932566 /nfs/dbraw/zinc/93/25/66/387932566.db2.gz MSKRHXHKTABGAT-LNFKQOIKSA-N 1 3 200.326 1.269 20 0 BDADHO CC/C=C/CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423156250 387935050 /nfs/dbraw/zinc/93/50/50/387935050.db2.gz KUYFSCJUBAJBSR-MRPUBWEVSA-N 1 3 212.337 1.295 20 0 BDADHO CC[C@H](NC[C@@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423143580 387921380 /nfs/dbraw/zinc/92/13/80/387921380.db2.gz XKQHVDNSNPEDLE-MELADBBJSA-N 1 3 240.391 1.515 20 0 BDADHO COC[C@@H](CCC[NH3+])N[C@H]1CCC[C@H]1F ZINC000423149171 387928155 /nfs/dbraw/zinc/92/81/55/387928155.db2.gz XHOQXBIRCFNMEK-MXWKQRLJSA-N 1 3 218.316 1.221 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H]1F ZINC000423149804 387928569 /nfs/dbraw/zinc/92/85/69/387928569.db2.gz XWJWBTGENFMPSZ-VLEAKVRGSA-N 1 3 200.301 1.594 20 0 BDADHO CC1(C)CCCN1CC[NH2+][C@@H]1CCC[C@H]1N ZINC000423168339 387951715 /nfs/dbraw/zinc/95/17/15/387951715.db2.gz UKWBBGMRVCDJME-VXGBXAGGSA-N 1 3 225.380 1.330 20 0 BDADHO CC1(C)CCCN1CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000423168337 387952318 /nfs/dbraw/zinc/95/23/18/387952318.db2.gz UKWBBGMRVCDJME-NWDGAFQWSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCN1CCCC1(C)C ZINC000423171333 387956561 /nfs/dbraw/zinc/95/65/61/387956561.db2.gz ZVABEJWSWUQHHJ-STQMWFEESA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423168470 387955139 /nfs/dbraw/zinc/95/51/39/387955139.db2.gz XZTCFHUNCSWIKR-CRWXNKLISA-N 1 3 240.391 1.515 20 0 BDADHO CCCN[C@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424231285 387942586 /nfs/dbraw/zinc/94/25/86/387942586.db2.gz BUUQODOXKIMZIR-LLVKDONJSA-N 1 3 249.358 1.780 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCC[C@@H]1O ZINC000423163116 387944948 /nfs/dbraw/zinc/94/49/48/387944948.db2.gz QTEPXAWQKDQFSW-KKOKHZNYSA-N 1 3 212.337 1.007 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000423164679 387948695 /nfs/dbraw/zinc/94/86/95/387948695.db2.gz OSOIMYLURCYHLX-YIYPIFLZSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423164679 387948696 /nfs/dbraw/zinc/94/86/96/387948696.db2.gz OSOIMYLURCYHLX-YIYPIFLZSA-N 1 3 240.391 1.920 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000245452907 387949309 /nfs/dbraw/zinc/94/93/09/387949309.db2.gz QUMBPHPURSNYRJ-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCO2)C1 ZINC000245452907 387949314 /nfs/dbraw/zinc/94/93/14/387949314.db2.gz QUMBPHPURSNYRJ-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H](NCC(C)(C)C1(O)CCCC1)C1C[NH2+]C1 ZINC000423166228 387949794 /nfs/dbraw/zinc/94/97/94/387949794.db2.gz QYPBGKAWRFKBFJ-NSHDSACASA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)C1CNC1 ZINC000423166228 387949799 /nfs/dbraw/zinc/94/97/99/387949799.db2.gz QYPBGKAWRFKBFJ-NSHDSACASA-N 1 3 240.391 1.515 20 0 BDADHO CCOC(=O)CCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245452610 387950263 /nfs/dbraw/zinc/95/02/63/387950263.db2.gz QLYVITMIJBGUAO-NWDGAFQWSA-N 1 3 242.363 1.354 20 0 BDADHO CCOC(=O)CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245452610 387950267 /nfs/dbraw/zinc/95/02/67/387950267.db2.gz QLYVITMIJBGUAO-NWDGAFQWSA-N 1 3 242.363 1.354 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC[C@H](C)O1 ZINC000423166167 387950771 /nfs/dbraw/zinc/95/07/71/387950771.db2.gz QTLQKQVXHIDEJV-XWLWVQCSSA-N 1 3 200.326 1.269 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423172454 387960041 /nfs/dbraw/zinc/96/00/41/387960041.db2.gz SYZYMNWRSYNGIA-RWMBFGLXSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176493 387962268 /nfs/dbraw/zinc/96/22/68/387962268.db2.gz GCQWOMJNJXVTCQ-KSTCHIGDSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](CCc1c(F)cccc1F)NCC[NH3+] ZINC000423180127 387965141 /nfs/dbraw/zinc/96/51/41/387965141.db2.gz IEDJQTFLGXIJLD-SECBINFHSA-N 1 3 228.286 1.834 20 0 BDADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)C(C)C ZINC000423179208 387965755 /nfs/dbraw/zinc/96/57/55/387965755.db2.gz JFEZYOUJDDYFBG-PJIALRRASA-N 1 3 240.391 1.655 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCCOC1 ZINC000245624864 387968067 /nfs/dbraw/zinc/96/80/67/387968067.db2.gz OQRWKVHAZRFHTH-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@H]1CCCOC1 ZINC000245624864 387968068 /nfs/dbraw/zinc/96/80/68/387968068.db2.gz OQRWKVHAZRFHTH-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@H]1F ZINC000423184136 387970247 /nfs/dbraw/zinc/97/02/47/387970247.db2.gz MZQOGNPKKOLENL-UKKRHICBSA-N 1 3 202.317 1.983 20 0 BDADHO C1CC([C@@H]2CC[C@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000423185394 387970303 /nfs/dbraw/zinc/97/03/03/387970303.db2.gz JFIFRYGEGJYWTD-FRRDWIJNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@H](CO)C1 ZINC000423195048 387979621 /nfs/dbraw/zinc/97/96/21/387979621.db2.gz XHXBHGXIIPLBJQ-VOAKCMCISA-N 1 3 226.364 1.125 20 0 BDADHO CSCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869007 387975271 /nfs/dbraw/zinc/97/52/71/387975271.db2.gz NSCSCYWATGKUSD-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO CSCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869007 387975272 /nfs/dbraw/zinc/97/52/72/387975272.db2.gz NSCSCYWATGKUSD-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC000423190986 387976405 /nfs/dbraw/zinc/97/64/05/387976405.db2.gz TXHNALKLABGQQA-ZJUUUORDSA-N 1 3 200.326 1.127 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000423190508 387976808 /nfs/dbraw/zinc/97/68/08/387976808.db2.gz RXCJEYDNYWOLJV-MOKVOYLWSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC[NH3+] ZINC000423192055 387977895 /nfs/dbraw/zinc/97/78/95/387977895.db2.gz VFGUMCRBKHZFRK-UHTWSYAYSA-N 1 3 204.317 1.727 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423192311 387978265 /nfs/dbraw/zinc/97/82/65/387978265.db2.gz ULXTXPUJQBAINX-HGCLJGPKSA-N 1 3 214.353 1.515 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCNC ZINC000423202809 387989747 /nfs/dbraw/zinc/98/97/47/387989747.db2.gz RFEGVYBWHIDXAH-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CNCCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423204566 387992164 /nfs/dbraw/zinc/99/21/64/387992164.db2.gz UTBBRTAPLYBEKE-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CNC(=O)C[C@H](C)[NH2+]CC1(N)CCCCCC1 ZINC000423200516 387985788 /nfs/dbraw/zinc/98/57/88/387985788.db2.gz MHKJMTFCXNXSGR-NSHDSACASA-N 1 3 241.379 1.152 20 0 BDADHO C1C[C@@H]([NH2+][C@H]2CCC[C@H]([C@H]3CCOC3)C2)CN1 ZINC000423214184 387998008 /nfs/dbraw/zinc/99/80/08/387998008.db2.gz MGHJNHAPLLYXMD-XDQVBPFNSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)[C@H]1CCSC1 ZINC000252433319 135088655 /nfs/dbraw/zinc/08/86/55/135088655.db2.gz CAXPRGPKDNJDJH-QWRGUYRKSA-N 1 3 216.394 1.797 20 0 BDADHO c1cnn(CCN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420405900 388000020 /nfs/dbraw/zinc/00/00/20/388000020.db2.gz UESZNRORZXTEIS-ZIAGYGMSSA-N 1 3 248.374 1.347 20 0 BDADHO COCC1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000423216681 388000284 /nfs/dbraw/zinc/00/02/84/388000284.db2.gz SIYPXOCICBONMX-MOKVOYLWSA-N 1 3 240.391 1.781 20 0 BDADHO N[C@H](C[NH2+][C@H]1CCCCC[C@@H]1N)c1ccccc1 ZINC000423240271 388024298 /nfs/dbraw/zinc/02/42/98/388024298.db2.gz BZQYNUFNUGMWEQ-ZNMIVQPWSA-N 1 3 247.386 1.936 20 0 BDADHO N[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000423240271 388024302 /nfs/dbraw/zinc/02/43/02/388024302.db2.gz BZQYNUFNUGMWEQ-ZNMIVQPWSA-N 1 3 247.386 1.936 20 0 BDADHO C[C@@H](NC[C@@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241584 388024752 /nfs/dbraw/zinc/02/47/52/388024752.db2.gz DHXWAKYHQVPOKZ-BNOWGMLFSA-N 1 3 233.359 1.417 20 0 BDADHO N[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)c1ccccc1 ZINC000423240268 388024928 /nfs/dbraw/zinc/02/49/28/388024928.db2.gz BZQYNUFNUGMWEQ-KFWWJZLASA-N 1 3 247.386 1.936 20 0 BDADHO N[C@H](CN[C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000423240268 388024931 /nfs/dbraw/zinc/02/49/31/388024931.db2.gz BZQYNUFNUGMWEQ-KFWWJZLASA-N 1 3 247.386 1.936 20 0 BDADHO CC[NH2+]CCN[C@H](C)CCCc1cccnc1 ZINC000423230242 388015179 /nfs/dbraw/zinc/01/51/79/388015179.db2.gz DBHBNYVGYAHZPP-CYBMUJFWSA-N 1 3 235.375 1.992 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423231191 388016387 /nfs/dbraw/zinc/01/63/87/388016387.db2.gz GCBXQTPZLFXCPW-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO COCC1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000423232226 388017360 /nfs/dbraw/zinc/01/73/60/388017360.db2.gz HVQXUSVRTHXCII-WXRRBKDZSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](C[NH2+][C@H](C)Cc1cnccn1)CN(C)C ZINC000453240655 388022461 /nfs/dbraw/zinc/02/24/61/388022461.db2.gz OGDJNWKPCUEHSQ-VXGBXAGGSA-N 1 3 236.363 1.195 20 0 BDADHO C[C@H](CN[C@H](C)Cc1cnccn1)C[NH+](C)C ZINC000453240655 388022465 /nfs/dbraw/zinc/02/24/65/388022465.db2.gz OGDJNWKPCUEHSQ-VXGBXAGGSA-N 1 3 236.363 1.195 20 0 BDADHO N[C@@H](CN[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000423249334 388032122 /nfs/dbraw/zinc/03/21/22/388032122.db2.gz ORRZXNSMHJUKDK-SOUVJXGZSA-N 1 3 247.386 1.794 20 0 BDADHO C[NH2+]CCN[C@@H](C)C1CCSCC1 ZINC000423248459 388032245 /nfs/dbraw/zinc/03/22/45/388032245.db2.gz QNXSOEBWGWOJKH-VIFPVBQESA-N 1 3 202.367 1.327 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@H]1COCC ZINC000423249845 388032254 /nfs/dbraw/zinc/03/22/54/388032254.db2.gz SOKKUEOFNYBSAY-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO C[NH2+]CCN[C@H]1CCC[C@@H]1CCOC ZINC000423250869 388033255 /nfs/dbraw/zinc/03/32/55/388033255.db2.gz UVSFKDIZQGBNQT-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO CC(C)C[C@H](CN)[NH2+]C1CCN(C2CC2)CC1 ZINC000423259336 388038609 /nfs/dbraw/zinc/03/86/09/388038609.db2.gz DLUJRIKHGLTIDG-CYBMUJFWSA-N 1 3 239.407 1.576 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000423264683 388041494 /nfs/dbraw/zinc/04/14/94/388041494.db2.gz QATKILUAOQTYHO-IRCOFANPSA-N 1 3 214.353 1.515 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423246584 388030715 /nfs/dbraw/zinc/03/07/15/388030715.db2.gz NZXRWDFDARJOPK-YNEHKIRRSA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@@H]1CCCO1 ZINC000423272522 388051744 /nfs/dbraw/zinc/05/17/44/388051744.db2.gz ZAPXQQUABKEOMZ-TUAOUCFPSA-N 1 3 214.353 1.517 20 0 BDADHO C(C[NH2+][C@@H]1CCCOCC1)CN1CCCC1 ZINC000083424636 388052707 /nfs/dbraw/zinc/05/27/07/388052707.db2.gz UNVFMJOVBIHKLI-CYBMUJFWSA-N 1 3 226.364 1.631 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H](C)CCCOC ZINC000423275520 388056439 /nfs/dbraw/zinc/05/64/39/388056439.db2.gz NFHBUFRTCZGYOL-WDEREUQCSA-N 1 3 202.342 1.247 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H](C)C[NH2+]C)C12CCC2 ZINC000423285039 388069273 /nfs/dbraw/zinc/06/92/73/388069273.db2.gz ZFADSKDUEDFEEO-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)[C@@H]([NH3+])CN[C@@H](Cn1cccn1)C(C)C ZINC000423285927 388070470 /nfs/dbraw/zinc/07/04/70/388070470.db2.gz ZTXNTHMRRFCVMN-STQMWFEESA-N 1 3 238.379 1.481 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000423286851 388071258 /nfs/dbraw/zinc/07/12/58/388071258.db2.gz JCUHDZSZNOJJBW-MNOVXSKESA-N 1 3 214.353 1.661 20 0 BDADHO CCC([NH3+])(CC)CN[C@H](C)[C@@H]1CCCO1 ZINC000423286851 388071260 /nfs/dbraw/zinc/07/12/60/388071260.db2.gz JCUHDZSZNOJJBW-MNOVXSKESA-N 1 3 214.353 1.661 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000423288444 388073570 /nfs/dbraw/zinc/07/35/70/388073570.db2.gz SBSNGEIMLBPYAI-QWRGUYRKSA-N 1 3 213.369 1.044 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CN(C)C[C@@H]1C ZINC000423288444 388073572 /nfs/dbraw/zinc/07/35/72/388073572.db2.gz SBSNGEIMLBPYAI-QWRGUYRKSA-N 1 3 213.369 1.044 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@@H]1CCC(=O)NC1(C)C ZINC000423296914 388078853 /nfs/dbraw/zinc/07/88/53/388078853.db2.gz HZGCTDYYNIRYTM-WDEREUQCSA-N 1 3 241.379 1.151 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](O)C1CCC1 ZINC000643493531 388109553 /nfs/dbraw/zinc/10/95/53/388109553.db2.gz VFAPUHXEJKPVCE-FRRDWIJNSA-N 1 3 226.364 1.397 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423269133 388047425 /nfs/dbraw/zinc/04/74/25/388047425.db2.gz GREAMFRDGUILDQ-SDDRHHMPSA-N 1 3 225.380 1.057 20 0 BDADHO CCC[C@](C)(N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680521 388251572 /nfs/dbraw/zinc/25/15/72/388251572.db2.gz BZSUCJGPLSCWLN-AAEUAGOBSA-N 1 3 241.379 1.152 20 0 BDADHO CCc1cc(N[C@@H]2CCCN(C)[C@H]2C)cc[nH+]1 ZINC000450437963 388256010 /nfs/dbraw/zinc/25/60/10/388256010.db2.gz LRWVUDYWTYHLBA-SMDDNHRTSA-N 1 3 233.359 1.961 20 0 BDADHO C[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C ZINC000449558158 388231030 /nfs/dbraw/zinc/23/10/30/388231030.db2.gz WCDHLTYOIBGRKE-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C ZINC000449558158 388231031 /nfs/dbraw/zinc/23/10/31/388231031.db2.gz WCDHLTYOIBGRKE-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H](C)CN(C)C)CCO1 ZINC000491572110 388304519 /nfs/dbraw/zinc/30/45/19/388304519.db2.gz LDUGUTSJASVXIP-BFHYXJOUSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1C[C@H](NCCOC(C)(C)C)CC[N@@H+]1C ZINC000163719339 388366574 /nfs/dbraw/zinc/36/65/74/388366574.db2.gz HIAMMBXPBMBMSD-VXGBXAGGSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H]1C[C@H](NCCOC(C)(C)C)CC[N@H+]1C ZINC000163719339 388366576 /nfs/dbraw/zinc/36/65/76/388366576.db2.gz HIAMMBXPBMBMSD-VXGBXAGGSA-N 1 3 228.380 1.874 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOCC1CC1 ZINC000236213037 388378375 /nfs/dbraw/zinc/37/83/75/388378375.db2.gz GMWSAGRMXLCSMO-NEPJUHHUSA-N 1 3 212.337 1.130 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236213037 388378377 /nfs/dbraw/zinc/37/83/77/388378377.db2.gz GMWSAGRMXLCSMO-NEPJUHHUSA-N 1 3 212.337 1.130 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000236553264 388380769 /nfs/dbraw/zinc/38/07/69/388380769.db2.gz NGYUHBJVMORSSD-REWJHTLYSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000236553264 388380770 /nfs/dbraw/zinc/38/07/70/388380770.db2.gz NGYUHBJVMORSSD-REWJHTLYSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000236553264 388380773 /nfs/dbraw/zinc/38/07/73/388380773.db2.gz NGYUHBJVMORSSD-REWJHTLYSA-N 1 3 238.375 1.364 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236799186 388383560 /nfs/dbraw/zinc/38/35/60/388383560.db2.gz ATPLIFOTZCYCBF-RYUDHWBXSA-N 1 3 241.379 1.010 20 0 BDADHO Cc1cccnc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000404876746 388439941 /nfs/dbraw/zinc/43/99/41/388439941.db2.gz PGMNULPFWGXHTK-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccnc1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000404876746 388439944 /nfs/dbraw/zinc/43/99/44/388439944.db2.gz PGMNULPFWGXHTK-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCn2cccn2)C[C@@H]1C[NH3+] ZINC000397352821 388463219 /nfs/dbraw/zinc/46/32/19/388463219.db2.gz DCRHRIXNHKQUBQ-AGIUHOORSA-N 1 3 236.363 1.188 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000393428960 388429257 /nfs/dbraw/zinc/42/92/57/388429257.db2.gz RJMISIYQELZYAQ-NWDGAFQWSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000393633846 388436251 /nfs/dbraw/zinc/43/62/51/388436251.db2.gz LJBUGROSDCADHJ-AVGNSLFASA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000397594456 388482573 /nfs/dbraw/zinc/48/25/73/388482573.db2.gz COASDONWYIQMNK-NEPJUHHUSA-N 1 3 240.391 1.467 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000340490011 388491293 /nfs/dbraw/zinc/49/12/93/388491293.db2.gz TWAAIWXRGDHOLC-HZSPNIEDSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340490011 388491295 /nfs/dbraw/zinc/49/12/95/388491295.db2.gz TWAAIWXRGDHOLC-HZSPNIEDSA-N 1 3 238.375 1.628 20 0 BDADHO CCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000343634799 388502342 /nfs/dbraw/zinc/50/23/42/388502342.db2.gz VEGNQODASSVAHV-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000343634799 388502343 /nfs/dbraw/zinc/50/23/43/388502343.db2.gz VEGNQODASSVAHV-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CCCNCC[NH2+][C@H](COC)C1CC1 ZINC000397941241 388512615 /nfs/dbraw/zinc/51/26/15/388512615.db2.gz GUFUTOPUVZBPCL-LLVKDONJSA-N 1 3 200.326 1.001 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000378839680 388520202 /nfs/dbraw/zinc/52/02/02/388520202.db2.gz XGRVIBGERRLKSU-MGPQQGTHSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000378839680 388520205 /nfs/dbraw/zinc/52/02/05/388520205.db2.gz XGRVIBGERRLKSU-MGPQQGTHSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@H](O)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358173429 388554689 /nfs/dbraw/zinc/55/46/89/388554689.db2.gz UZRALGLTAWINLP-MJBXVCDLSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@H](O)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358173429 388554691 /nfs/dbraw/zinc/55/46/91/388554691.db2.gz UZRALGLTAWINLP-MJBXVCDLSA-N 1 3 240.391 1.754 20 0 BDADHO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 ZINC000517539696 256827105 /nfs/dbraw/zinc/82/71/05/256827105.db2.gz WPXXLRGHFVPECZ-ZDUSSCGKSA-N 1 3 247.342 1.616 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCN(C)C[C@H]2C)CC1 ZINC000252714351 388574697 /nfs/dbraw/zinc/57/46/97/388574697.db2.gz RTSHKKDBNHYXKO-TZMCWYRMSA-N 1 3 239.407 1.401 20 0 BDADHO Cn1cc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc2n1 ZINC000530217126 388630727 /nfs/dbraw/zinc/63/07/27/388630727.db2.gz FWEVMKVSBCNCNM-STQMWFEESA-N 1 3 244.342 1.543 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCOC1 ZINC000530223527 388634011 /nfs/dbraw/zinc/63/40/11/388634011.db2.gz SQUOGZFMKWBKKA-TUAOUCFPSA-N 1 3 224.348 1.286 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189508426 388636070 /nfs/dbraw/zinc/63/60/70/388636070.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189508426 388636072 /nfs/dbraw/zinc/63/60/72/388636072.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000189508426 388636073 /nfs/dbraw/zinc/63/60/73/388636073.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000189508426 388636074 /nfs/dbraw/zinc/63/60/74/388636074.db2.gz VBVHIQYDJUAVFV-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C(C[C@@H]1CCOC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530243891 388638914 /nfs/dbraw/zinc/63/89/14/388638914.db2.gz INLBGGJAFYCSKN-NEPJUHHUSA-N 1 3 224.348 1.287 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(C2CC2)C1 ZINC000251289302 388643131 /nfs/dbraw/zinc/64/31/31/388643131.db2.gz NMLNSYMOHIXTPH-SGMGOOAPSA-N 1 3 237.391 1.330 20 0 BDADHO CC[C@H]1COCCN1CC[C@H]1CC[NH2+]C1 ZINC000251641616 388647813 /nfs/dbraw/zinc/64/78/13/388647813.db2.gz FZLHEQWEBGRSAA-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000246831557 388652852 /nfs/dbraw/zinc/65/28/52/388652852.db2.gz BREAZFHGKSCXPY-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985087 388656530 /nfs/dbraw/zinc/65/65/30/388656530.db2.gz JUFHUZQYTQMTHF-RYUDHWBXSA-N 1 3 242.363 1.212 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)OC)[C@@H](C)C1 ZINC000246985087 388656532 /nfs/dbraw/zinc/65/65/32/388656532.db2.gz JUFHUZQYTQMTHF-RYUDHWBXSA-N 1 3 242.363 1.212 20 0 BDADHO CO[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[C@H]1C ZINC000251795824 388754204 /nfs/dbraw/zinc/75/42/04/388754204.db2.gz MBPUVDPJNCNBIO-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[C@H]1C ZINC000251795824 388754206 /nfs/dbraw/zinc/75/42/06/388754206.db2.gz MBPUVDPJNCNBIO-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cccnc2)C1 ZINC000086403254 388687477 /nfs/dbraw/zinc/68/74/77/388687477.db2.gz JUEFAQSFQTXMDC-CHWSQXEVSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000086403254 388687478 /nfs/dbraw/zinc/68/74/78/388687478.db2.gz JUEFAQSFQTXMDC-CHWSQXEVSA-N 1 3 219.332 1.484 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000248988743 388703713 /nfs/dbraw/zinc/70/37/13/388703713.db2.gz FMKXEJQQRWZMNJ-XDQVBPFNSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248988743 388703715 /nfs/dbraw/zinc/70/37/15/388703715.db2.gz FMKXEJQQRWZMNJ-XDQVBPFNSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000248988743 388703717 /nfs/dbraw/zinc/70/37/17/388703717.db2.gz FMKXEJQQRWZMNJ-XDQVBPFNSA-N 1 3 238.375 1.770 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)OC)[C@@H](C)C1 ZINC000249088223 388707918 /nfs/dbraw/zinc/70/79/18/388707918.db2.gz MVYMPXPVNGPWEO-TUAOUCFPSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@@H](C)OC)[C@@H](C)C1 ZINC000249088223 388707920 /nfs/dbraw/zinc/70/79/20/388707920.db2.gz MVYMPXPVNGPWEO-TUAOUCFPSA-N 1 3 214.353 1.341 20 0 BDADHO CC[C@](C)(O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000249387308 388719831 /nfs/dbraw/zinc/71/98/31/388719831.db2.gz QEDCZNFWWCYMOQ-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CN1CCCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000552558425 388725084 /nfs/dbraw/zinc/72/50/84/388725084.db2.gz BKCIYVFFUUPVBO-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CN1CCCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000552558425 388725085 /nfs/dbraw/zinc/72/50/85/388725085.db2.gz BKCIYVFFUUPVBO-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000252937909 388793408 /nfs/dbraw/zinc/79/34/08/388793408.db2.gz HFMARUPKSYSHEC-MJBXVCDLSA-N 1 3 240.391 1.731 20 0 BDADHO C[NH+](C)CCOCCNCc1cccs1 ZINC000230004818 388810270 /nfs/dbraw/zinc/81/02/70/388810270.db2.gz VDEHASWRGGYFDC-UHFFFAOYSA-N 1 3 228.361 1.416 20 0 BDADHO CSCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252674016 388770507 /nfs/dbraw/zinc/77/05/07/388770507.db2.gz NSCSCYWATGKUSD-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO CSCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252674016 388770509 /nfs/dbraw/zinc/77/05/09/388770509.db2.gz NSCSCYWATGKUSD-RYUDHWBXSA-N 1 3 228.405 1.956 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000153360833 388967299 /nfs/dbraw/zinc/96/72/99/388967299.db2.gz WYHFLRGKIWMARJ-NEPJUHHUSA-N 1 3 214.353 1.200 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccco1 ZINC000565945501 388980636 /nfs/dbraw/zinc/98/06/36/388980636.db2.gz NMPISQNLJQTVQW-GHMZBOCLSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)c1ccncc1)CN(C)C ZINC000293637317 389013289 /nfs/dbraw/zinc/01/32/89/389013289.db2.gz KPNCXOSCIANZHQ-NEPJUHHUSA-N 1 3 221.348 1.930 20 0 BDADHO C([NH2+][C@@H]1CCCNCC1)C1(C2CC2)CC1 ZINC000232450631 533368246 /nfs/dbraw/zinc/36/82/46/533368246.db2.gz NMGQLQGCHUJOGP-GFCCVEGCSA-N 1 3 208.349 1.908 20 0 BDADHO C([C@H]1CCSC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257739682 533377664 /nfs/dbraw/zinc/37/76/64/533377664.db2.gz YQQCCEWKYYBERD-CHWSQXEVSA-N 1 3 240.416 1.815 20 0 BDADHO Cc1cc(N2CCN(CC(C)(C)O)CC2)cc[nH+]1 ZINC000163001671 132234204 /nfs/dbraw/zinc/23/42/04/132234204.db2.gz QDTHCDUFPBXPBD-UHFFFAOYSA-N 1 3 249.358 1.283 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)CN1C ZINC000351925672 134007399 /nfs/dbraw/zinc/00/73/99/134007399.db2.gz FHQYIAVJIWIBDQ-RDBSUJKOSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)[C@@H](C)CN1C ZINC000351925672 134007400 /nfs/dbraw/zinc/00/74/00/134007400.db2.gz FHQYIAVJIWIBDQ-RDBSUJKOSA-N 1 3 239.407 1.495 20 0 BDADHO c1c[nH]c([C@@H]2CCCCN2CC2CC[NH2+]CC2)n1 ZINC000336056533 134066757 /nfs/dbraw/zinc/06/67/57/134066757.db2.gz UXJBJQKTWHJDRU-ZDUSSCGKSA-N 1 3 248.374 1.936 20 0 BDADHO CCN(CCN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000217415707 134247114 /nfs/dbraw/zinc/24/71/14/134247114.db2.gz BNPHKHRKYREHFA-LBPRGKRZSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H]1CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282117 134274826 /nfs/dbraw/zinc/27/48/26/134274826.db2.gz USOUBFKDIALJKA-RFQIPJPRSA-N 1 3 222.376 1.964 20 0 BDADHO CC(C)C[C@H](C)[NH2+]CCOCCN(C)C ZINC000219316504 134281501 /nfs/dbraw/zinc/28/15/01/134281501.db2.gz ZOPQSNFSXMMOAI-LBPRGKRZSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000178188728 134304533 /nfs/dbraw/zinc/30/45/33/134304533.db2.gz QHDVBNCFAPSIGJ-ZWNOBZJWSA-N 1 3 247.342 1.787 20 0 BDADHO CCN(CCC[NH+](CC)CC)C(=O)C1(N)CC1 ZINC000230713165 134533948 /nfs/dbraw/zinc/53/39/48/134533948.db2.gz FBEWENMCBZZHNF-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@H](C)CN1CCCC1 ZINC000070656800 135007902 /nfs/dbraw/zinc/00/79/02/135007902.db2.gz YOZXIHJQUCYXSM-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H](COC)NC[C@H](C)C[NH+]1CCCC1 ZINC000070656800 135007905 /nfs/dbraw/zinc/00/79/05/135007905.db2.gz YOZXIHJQUCYXSM-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248841427 135022820 /nfs/dbraw/zinc/02/28/20/135022820.db2.gz NZQAICPEASKCPZ-LOWDOPEQSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248841427 135022822 /nfs/dbraw/zinc/02/28/22/135022822.db2.gz NZQAICPEASKCPZ-LOWDOPEQSA-N 1 3 226.364 1.626 20 0 BDADHO c1cnn(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250159141 135050702 /nfs/dbraw/zinc/05/07/02/135050702.db2.gz GDALCKUHQHPTJD-OLZOCXBDSA-N 1 3 234.347 1.100 20 0 BDADHO c1cnn(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250159141 135050703 /nfs/dbraw/zinc/05/07/03/135050703.db2.gz GDALCKUHQHPTJD-OLZOCXBDSA-N 1 3 234.347 1.100 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250229512 135050779 /nfs/dbraw/zinc/05/07/79/135050779.db2.gz FYNYSHHEZMSPSP-QWRGUYRKSA-N 1 3 214.378 1.423 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)O1 ZINC000251762382 135076143 /nfs/dbraw/zinc/07/61/43/135076143.db2.gz KGRROGCMFNPWFZ-XJFOESAGSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)O1 ZINC000251762382 135076144 /nfs/dbraw/zinc/07/61/44/135076144.db2.gz KGRROGCMFNPWFZ-XJFOESAGSA-N 1 3 238.375 1.770 20 0 BDADHO [NH3+]CCOCCN1CCC[C@H](C(F)(F)F)C1 ZINC000086435888 135084103 /nfs/dbraw/zinc/08/41/03/135084103.db2.gz LHGKOMWKWQKSLJ-VIFPVBQESA-N 1 3 240.269 1.236 20 0 BDADHO CCN(CCOCC[NH3+])Cc1cccs1 ZINC000086435493 135084669 /nfs/dbraw/zinc/08/46/69/135084669.db2.gz JEXPSNPPJWQMSG-UHFFFAOYSA-N 1 3 228.361 1.545 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)[C@H]1CCSC1 ZINC000252433319 135088653 /nfs/dbraw/zinc/08/86/53/135088653.db2.gz CAXPRGPKDNJDJH-QWRGUYRKSA-N 1 3 216.394 1.797 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)C ZINC000252458295 135089980 /nfs/dbraw/zinc/08/99/80/135089980.db2.gz XMVYJXFRDBCHPA-FVCCEPFGSA-N 1 3 227.396 1.255 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000252712383 135100145 /nfs/dbraw/zinc/10/01/45/135100145.db2.gz MHTDNIYVGZITHB-RFGFWPKPSA-N 1 3 239.407 1.399 20 0 BDADHO CCSCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252911227 135116287 /nfs/dbraw/zinc/11/62/87/135116287.db2.gz GMZFJCFKEPLYBU-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO CCSCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252911227 135116288 /nfs/dbraw/zinc/11/62/88/135116288.db2.gz GMZFJCFKEPLYBU-NEPJUHHUSA-N 1 3 228.405 1.956 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253018404 135119179 /nfs/dbraw/zinc/11/91/79/135119179.db2.gz IMPKYDGEUWTFCP-AAVRWANBSA-N 1 3 240.391 1.658 20 0 BDADHO COc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000261533602 135164997 /nfs/dbraw/zinc/16/49/97/135164997.db2.gz LCFYKKOKHGZLGK-VHSXEESVSA-N 1 3 208.305 1.521 20 0 BDADHO CO[C@H](C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261533403 135165016 /nfs/dbraw/zinc/16/50/16/135165016.db2.gz IAHRMIUQCXLUEJ-YNEHKIRRSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@H](C)C2)CC[NH2+]1 ZINC000261534359 135166699 /nfs/dbraw/zinc/16/66/99/135166699.db2.gz MCHVJSQFGCFSFL-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO COC(=O)C(C)(C)CN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000261540966 135179948 /nfs/dbraw/zinc/17/99/48/135179948.db2.gz ASKKACRIPZFZER-WDEREUQCSA-N 1 3 242.363 1.306 20 0 BDADHO CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000261542497 135183120 /nfs/dbraw/zinc/18/31/20/135183120.db2.gz OVOSWJOJOOLFKC-JSGCOSHPSA-N 1 3 237.391 1.155 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCOCC2CC2)C1 ZINC000261551039 135190105 /nfs/dbraw/zinc/19/01/05/135190105.db2.gz PZWIUMPATRHCCO-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000084216511 135192516 /nfs/dbraw/zinc/19/25/16/135192516.db2.gz FQKLHZGOCVIWSP-AVGNSLFASA-N 1 3 226.364 1.663 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000084216863 135193073 /nfs/dbraw/zinc/19/30/73/135193073.db2.gz XLHLPRFAKBDXPV-OLZOCXBDSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CC1CC[NH2+]CC1 ZINC000261555165 135195327 /nfs/dbraw/zinc/19/53/27/135195327.db2.gz UUNYVOUYWKTEFQ-MNOVXSKESA-N 1 3 212.337 1.095 20 0 BDADHO CCOC[C@@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000261556893 135196890 /nfs/dbraw/zinc/19/68/90/135196890.db2.gz WNPNUMKJGCIHBG-LLVKDONJSA-N 1 3 214.353 1.472 20 0 BDADHO CCOC[C@@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000261556893 135196891 /nfs/dbraw/zinc/19/68/91/135196891.db2.gz WNPNUMKJGCIHBG-LLVKDONJSA-N 1 3 214.353 1.472 20 0 BDADHO COc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261563981 135206109 /nfs/dbraw/zinc/20/61/09/135206109.db2.gz HDYDETJVXIPETM-AEGPPILISA-N 1 3 246.354 1.864 20 0 BDADHO Cc1nc(C)c(CN[C@H]2CCC[C@H]2C[NH3+])s1 ZINC000261566985 135208379 /nfs/dbraw/zinc/20/83/79/135208379.db2.gz DTETUVSVRXVWPQ-QWRGUYRKSA-N 1 3 239.388 1.977 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000261568431 135210132 /nfs/dbraw/zinc/21/01/32/135210132.db2.gz FPHHKUPJVOQIHW-YNEHKIRRSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H]([NH3+])CN(C[C@H](C)O)C1CCCCC1 ZINC000261580066 135220989 /nfs/dbraw/zinc/22/09/89/135220989.db2.gz MQHNJQGFDBSRBT-MNOVXSKESA-N 1 3 214.353 1.349 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261583062 135224017 /nfs/dbraw/zinc/22/40/17/135224017.db2.gz OUYUDVFIAVSSJR-NWDGAFQWSA-N 1 3 228.380 1.766 20 0 BDADHO COCc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000261585095 135225904 /nfs/dbraw/zinc/22/59/04/135225904.db2.gz QDQCCKYEPQDKAM-GHMZBOCLSA-N 1 3 222.332 1.658 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000261593581 135234099 /nfs/dbraw/zinc/23/40/99/135234099.db2.gz WYHCBKHEUUYBEP-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOCC1CC1 ZINC000261595424 135234788 /nfs/dbraw/zinc/23/47/88/135234788.db2.gz YCIYMDXTJMQHDA-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@H]1CCOC1 ZINC000261598021 135236670 /nfs/dbraw/zinc/23/66/70/135236670.db2.gz ZIQAQOVCWOCWCQ-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@H]1CCOC1 ZINC000261598021 135236671 /nfs/dbraw/zinc/23/66/71/135236671.db2.gz ZIQAQOVCWOCWCQ-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000261597479 135236895 /nfs/dbraw/zinc/23/68/95/135236895.db2.gz ZCLCASXHZNRAQX-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO CC(C)(CNC1=[NH+]CCCN1)N1CCCCC1 ZINC000261709528 135247631 /nfs/dbraw/zinc/24/76/31/135247631.db2.gz DMLJLYOZGMYNFY-UHFFFAOYSA-N 1 3 238.379 1.190 20 0 BDADHO C[C@@]1(CN2CCC(C)(CO)CC2)CC[NH2+]C1 ZINC000261776691 135252024 /nfs/dbraw/zinc/25/20/24/135252024.db2.gz NJHRMKMZWLNFKE-CYBMUJFWSA-N 1 3 226.364 1.080 20 0 BDADHO c1cn(C[C@@H]2CCCN2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261932038 135264079 /nfs/dbraw/zinc/26/40/79/135264079.db2.gz LREIKDXLGGILBN-KBPBESRZSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cn1 ZINC000261932038 135264081 /nfs/dbraw/zinc/26/40/81/135264081.db2.gz LREIKDXLGGILBN-KBPBESRZSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@@H]2CCC[N@H+]2C[C@H]2CCCNC2)cn1 ZINC000261932038 135264083 /nfs/dbraw/zinc/26/40/83/135264083.db2.gz LREIKDXLGGILBN-KBPBESRZSA-N 1 3 248.374 1.347 20 0 BDADHO CC(C)[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000261936999 135264235 /nfs/dbraw/zinc/26/42/35/135264235.db2.gz MFDGBZADELVYAV-KGLIPLIRSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@]1(CN2CCC[C@@H]3COCC[C@@H]32)CC[NH2+]C1 ZINC000261954968 135266005 /nfs/dbraw/zinc/26/60/05/135266005.db2.gz GPDKQKCMUDHBMB-RDBSUJKOSA-N 1 3 238.375 1.487 20 0 BDADHO COCC(C)(C)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261956319 135266418 /nfs/dbraw/zinc/26/64/18/135266418.db2.gz OSQVVIDOHZPKMP-FUNVUKJBSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H]([NH3+])C1CCN(CCOCC(F)F)CC1 ZINC000262081284 135277436 /nfs/dbraw/zinc/27/74/36/135277436.db2.gz FCJKTZQNBBCCEZ-VIFPVBQESA-N 1 3 236.306 1.327 20 0 BDADHO CN(C[C@@H]1CCCC[C@@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262106156 135280020 /nfs/dbraw/zinc/28/00/20/135280020.db2.gz VYTCJJWKTKUKGA-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO CCOC[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262144627 135281501 /nfs/dbraw/zinc/28/15/01/135281501.db2.gz ZKTXBLNUGNXVJE-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)C1(N)CCCCC1 ZINC000262448582 135299865 /nfs/dbraw/zinc/29/98/65/135299865.db2.gz QHRBVPYUOXHEQR-LLVKDONJSA-N 1 3 241.379 1.282 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000262589640 135307268 /nfs/dbraw/zinc/30/72/68/135307268.db2.gz QNCJRQHLHDBQIS-MDZLAQPJSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@H]1NCCN(C(=O)CCCCCC[NH3+])[C@@H]1C ZINC000262698008 135314833 /nfs/dbraw/zinc/31/48/33/135314833.db2.gz AEFLDIMOWPKAAC-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO COCCOCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000089140602 135530666 /nfs/dbraw/zinc/53/06/66/135530666.db2.gz UDIOZNVQLZJIDW-STQMWFEESA-N 1 3 244.379 1.147 20 0 BDADHO C[C@@H]([NH2+]C1CCNCC1)c1ccc2n[nH]cc2c1 ZINC000335009087 135864714 /nfs/dbraw/zinc/86/47/14/135864714.db2.gz KEODVXHAMVWTTE-SNVBAGLBSA-N 1 3 244.342 1.966 20 0 BDADHO C[C@H](CNC[C@H]1C[NH2+]C[C@H]1O)Cc1ccccc1 ZINC000346005419 135908387 /nfs/dbraw/zinc/90/83/87/135908387.db2.gz GHZFTUQTETXHQV-AEGPPILISA-N 1 3 248.370 1.035 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000335241837 135984886 /nfs/dbraw/zinc/98/48/86/135984886.db2.gz OKCLHIHRRFGHGV-ZDUSSCGKSA-N 1 3 247.342 1.534 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000348185649 136044254 /nfs/dbraw/zinc/04/42/54/136044254.db2.gz QGSOOUUZVCNUDB-XWLWVQCSSA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@@H](C)C1 ZINC000348185649 136044255 /nfs/dbraw/zinc/04/42/55/136044255.db2.gz QGSOOUUZVCNUDB-XWLWVQCSSA-N 1 3 232.318 1.960 20 0 BDADHO C[C@H]([NH3+])c1ccc(C(=O)N2CCCNCC2)cc1 ZINC000335390033 136090651 /nfs/dbraw/zinc/09/06/51/136090651.db2.gz KSFRJRXRFBDTKV-NSHDSACASA-N 1 3 247.342 1.142 20 0 BDADHO COC1CCC([NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000335595008 136104196 /nfs/dbraw/zinc/10/41/96/136104196.db2.gz MDQWWNCNNPYCPP-ABXWRUBCSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1C[C@H](NCC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567857 136108202 /nfs/dbraw/zinc/10/82/02/136108202.db2.gz GKBKYEFNWWIWGF-RYUDHWBXSA-N 1 3 248.374 1.868 20 0 BDADHO C[C@@H]1C[C@@H](NCC2(C)CC[NH2+]CC2)c2nccn21 ZINC000335567859 136108291 /nfs/dbraw/zinc/10/82/91/136108291.db2.gz GKBKYEFNWWIWGF-VXGBXAGGSA-N 1 3 248.374 1.868 20 0 BDADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CN)c1 ZINC000165999832 397798920 /nfs/dbraw/zinc/79/89/20/397798920.db2.gz LHSXMHWRXVVYEU-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CN)c1 ZINC000165999832 397798924 /nfs/dbraw/zinc/79/89/24/397798924.db2.gz LHSXMHWRXVVYEU-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO CC[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CCCN1C ZINC000649618726 398004408 /nfs/dbraw/zinc/00/44/08/398004408.db2.gz LUAGAXHZLFMWQG-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO CC[C@@H]1CN(C)CC[N@H+]1C[C@H]1CCCN1C ZINC000649618726 398004409 /nfs/dbraw/zinc/00/44/09/398004409.db2.gz LUAGAXHZLFMWQG-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H]2CCCN2C)C1 ZINC000649624534 398005655 /nfs/dbraw/zinc/00/56/55/398005655.db2.gz JAVPOZGDNKTTEO-ZIAGYGMSSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](N(C)C[C@H]2CCCN2C)C1 ZINC000649624534 398005658 /nfs/dbraw/zinc/00/56/58/398005658.db2.gz JAVPOZGDNKTTEO-ZIAGYGMSSA-N 1 3 239.407 1.495 20 0 BDADHO CCCN(CC(=O)OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414676562 398014670 /nfs/dbraw/zinc/01/46/70/398014670.db2.gz VGXBZNLFJXOUME-RYUDHWBXSA-N 1 3 242.363 1.260 20 0 BDADHO [NH3+][C@H]1CCN(c2ccnc3ccccc32)C1 ZINC000050244313 397970383 /nfs/dbraw/zinc/97/03/83/397970383.db2.gz LZFUHIFWKHKVCY-JTQLQIEISA-N 1 3 213.284 1.772 20 0 BDADHO Cc1ccc(CCN2CCC(O)(C[NH3+])CC2)cc1 ZINC000071563413 397975404 /nfs/dbraw/zinc/97/54/04/397975404.db2.gz HQWXPEZVWOXYNM-UHFFFAOYSA-N 1 3 248.370 1.323 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393282053 487571267 /nfs/dbraw/zinc/57/12/67/487571267.db2.gz YXEIPLAHFDURTH-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393282053 487571271 /nfs/dbraw/zinc/57/12/71/487571271.db2.gz YXEIPLAHFDURTH-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393282053 487571275 /nfs/dbraw/zinc/57/12/75/487571275.db2.gz YXEIPLAHFDURTH-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO Cc1cn[nH]c1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334848331 487573860 /nfs/dbraw/zinc/57/38/60/487573860.db2.gz RIAGGFFGXOCCOP-NXEZZACHSA-N 1 3 208.309 1.078 20 0 BDADHO Cc1cn[nH]c1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000334848332 487573976 /nfs/dbraw/zinc/57/39/76/487573976.db2.gz RIAGGFFGXOCCOP-UWVGGRQHSA-N 1 3 208.309 1.078 20 0 BDADHO CC(C)OCCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000336679608 167216199 /nfs/dbraw/zinc/21/61/99/167216199.db2.gz ALMQLIAUOJWWLK-VXGBXAGGSA-N 1 3 214.353 1.471 20 0 BDADHO C([NH2+]C1CSC1)[C@H]1CCCN(CC2CC2)C1 ZINC000668819269 487587727 /nfs/dbraw/zinc/58/77/27/487587727.db2.gz NPIFEQDEGDRGCC-GFCCVEGCSA-N 1 3 240.416 1.813 20 0 BDADHO CCCN1CC[C@H]([NH2+]C2CCN(CC)CC2)C1 ZINC000383151954 487589603 /nfs/dbraw/zinc/58/96/03/487589603.db2.gz JWFWDMDAIUJLDO-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO CC(C)[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256057 409552288 /nfs/dbraw/zinc/55/22/88/409552288.db2.gz IZHHWEZDQJOHJN-CYBMUJFWSA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256057 409552295 /nfs/dbraw/zinc/55/22/95/409552295.db2.gz IZHHWEZDQJOHJN-CYBMUJFWSA-N 1 3 238.375 1.770 20 0 BDADHO O[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662284923 409618686 /nfs/dbraw/zinc/61/86/86/409618686.db2.gz QYNSVWJFDZBISH-CQSZACIVSA-N 1 3 246.354 1.289 20 0 BDADHO [NH3+]CC12CC(C1)CN2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662307235 409627762 /nfs/dbraw/zinc/62/77/62/409627762.db2.gz XNXUQCROKPHJIW-IAFLXDRLSA-N 1 3 220.360 1.846 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@H]1CC1(C)C ZINC000662344739 409655573 /nfs/dbraw/zinc/65/55/73/409655573.db2.gz SEGIGUAZJDSJQB-NEPJUHHUSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CC1(C)C ZINC000662344739 409655580 /nfs/dbraw/zinc/65/55/80/409655580.db2.gz SEGIGUAZJDSJQB-NEPJUHHUSA-N 1 3 228.380 1.277 20 0 BDADHO CN(C)Cc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662684066 409831929 /nfs/dbraw/zinc/83/19/29/409831929.db2.gz WWNIAQFWJVPKMS-HAQNSBGRSA-N 1 3 247.342 1.424 20 0 BDADHO Cc1cc(NCCCN2CCC(O)CC2)cc[nH+]1 ZINC000663401900 410181037 /nfs/dbraw/zinc/18/10/37/410181037.db2.gz CTZDLJTYAJCTSI-UHFFFAOYSA-N 1 3 249.358 1.071 20 0 BDADHO CC1(C)CC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663498119 410276532 /nfs/dbraw/zinc/27/65/32/410276532.db2.gz MCJPXMAXXBILCS-AKJDGMEZSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663498119 410276539 /nfs/dbraw/zinc/27/65/39/410276539.db2.gz MCJPXMAXXBILCS-AKJDGMEZSA-N 1 3 208.349 1.907 20 0 BDADHO CCOC[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650718003 410354950 /nfs/dbraw/zinc/35/49/50/410354950.db2.gz UMNSNPLTBRFHRF-JTQLQIEISA-N 1 3 240.322 1.799 20 0 BDADHO CCOc1cccc(CNCCC2(C[NH3+])CC2)n1 ZINC000650712792 410345752 /nfs/dbraw/zinc/34/57/52/410345752.db2.gz UWFOLBPTBAJSEA-UHFFFAOYSA-N 1 3 249.358 1.699 20 0 BDADHO CN(CCN1CCCCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000650725309 410362518 /nfs/dbraw/zinc/36/25/18/410362518.db2.gz XTFXLHUMVKSZEH-AWEZNQCLSA-N 1 3 239.407 1.404 20 0 BDADHO FC1(F)C[C@@]12CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000650725324 410363687 /nfs/dbraw/zinc/36/36/87/410363687.db2.gz YJTIKALRTMHOKO-GHMZBOCLSA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@@]12CC[N@H+](C[C@@H]1CCCNC1)C2 ZINC000650725324 410363693 /nfs/dbraw/zinc/36/36/93/410363693.db2.gz YJTIKALRTMHOKO-GHMZBOCLSA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@@]12CC[N@@H+](C[C@@H]1CCCNC1)C2 ZINC000650725324 410363697 /nfs/dbraw/zinc/36/36/97/410363697.db2.gz YJTIKALRTMHOKO-GHMZBOCLSA-N 1 3 230.302 1.717 20 0 BDADHO Cc1cc([C@@H](C)NCCC2(C[NH3+])CC2)no1 ZINC000650747119 410386058 /nfs/dbraw/zinc/38/60/58/410386058.db2.gz SDFSCYFXDZEERD-SNVBAGLBSA-N 1 3 223.320 1.763 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@H](C)[C@@H](C)OC ZINC000650758166 410406771 /nfs/dbraw/zinc/40/67/71/410406771.db2.gz KOGGWEKYPGPQLI-VXGBXAGGSA-N 1 3 236.359 1.919 20 0 BDADHO COC[C@H](CC[NH2+][C@@H]1CCNCC[C@H]1C)OC ZINC000665234781 410726358 /nfs/dbraw/zinc/72/63/58/410726358.db2.gz KBBMURKPGUYZQS-FRRDWIJNSA-N 1 3 244.379 1.016 20 0 BDADHO CO[C@H](C)[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280568 410755261 /nfs/dbraw/zinc/75/52/61/410755261.db2.gz GLYINBLMFUCLAD-GMTAPVOTSA-N 1 3 202.342 1.373 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H](C)CCCc1cccnc1 ZINC000665297373 410815196 /nfs/dbraw/zinc/81/51/96/410815196.db2.gz DVQLEPDPSPYPTC-OLZOCXBDSA-N 1 3 235.375 1.990 20 0 BDADHO CO[C@H](CN[C@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283014 410763953 /nfs/dbraw/zinc/76/39/53/410763953.db2.gz GFDWIDWXCTZMMD-BXUZGUMPSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](C[NH2+][C@H](C)C1CNC1)C1CCCCC1 ZINC000665283014 410763961 /nfs/dbraw/zinc/76/39/61/410763961.db2.gz GFDWIDWXCTZMMD-BXUZGUMPSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040802654 410890579 /nfs/dbraw/zinc/89/05/79/410890579.db2.gz BHDBPITYZSSVMF-WCQYABFASA-N 1 3 249.358 1.143 20 0 BDADHO CCCN(CCC)C[C@H](O)C[N@H+](C)C(C)C ZINC000309295636 410918507 /nfs/dbraw/zinc/91/85/07/410918507.db2.gz WWTYIALAYKUNIE-CYBMUJFWSA-N 1 3 230.396 1.810 20 0 BDADHO CCCN(CCC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309295636 410918513 /nfs/dbraw/zinc/91/85/13/410918513.db2.gz WWTYIALAYKUNIE-CYBMUJFWSA-N 1 3 230.396 1.810 20 0 BDADHO c1coc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000400940073 411163221 /nfs/dbraw/zinc/16/32/21/411163221.db2.gz AVMLIRIVJZJOFN-QJPTWQEYSA-N 1 3 220.316 1.757 20 0 BDADHO CC(C)O[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000404662944 411154094 /nfs/dbraw/zinc/15/40/94/411154094.db2.gz XHHAILUZVBISLW-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000404662944 411154098 /nfs/dbraw/zinc/15/40/98/411154098.db2.gz XHHAILUZVBISLW-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000404662944 411154101 /nfs/dbraw/zinc/15/41/01/411154101.db2.gz XHHAILUZVBISLW-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO CCC(C)(C)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000655947690 411161575 /nfs/dbraw/zinc/16/15/75/411161575.db2.gz VPHCGNQBRCHPMR-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@H]1N ZINC000300231727 411116898 /nfs/dbraw/zinc/11/68/98/411116898.db2.gz INXFWLATGFKOAH-QJPTWQEYSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@H]1N ZINC000300231727 411116901 /nfs/dbraw/zinc/11/69/01/411116901.db2.gz INXFWLATGFKOAH-QJPTWQEYSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000300231727 411116904 /nfs/dbraw/zinc/11/69/04/411116904.db2.gz INXFWLATGFKOAH-QJPTWQEYSA-N 1 3 228.405 1.799 20 0 BDADHO c1csc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401060205 411175567 /nfs/dbraw/zinc/17/55/67/411175567.db2.gz JIFGBLWCECUOFH-OUAUKWLOSA-N 1 3 237.372 1.621 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[N@H+](C)CC(C)C ZINC000652222108 411175683 /nfs/dbraw/zinc/17/56/83/411175683.db2.gz FVVNBDAJHKZTAS-CHWSQXEVSA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[N@@H+](C)CC(C)C ZINC000652222108 411175685 /nfs/dbraw/zinc/17/56/85/411175685.db2.gz FVVNBDAJHKZTAS-CHWSQXEVSA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652222108 411175687 /nfs/dbraw/zinc/17/56/87/411175687.db2.gz FVVNBDAJHKZTAS-CHWSQXEVSA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[N@H+](C)CC(C)C ZINC000652222111 411175830 /nfs/dbraw/zinc/17/58/30/411175830.db2.gz FVVNBDAJHKZTAS-STQMWFEESA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[N@@H+](C)CC(C)C ZINC000652222111 411175831 /nfs/dbraw/zinc/17/58/31/411175831.db2.gz FVVNBDAJHKZTAS-STQMWFEESA-N 1 3 230.396 1.977 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]CCCN(C)CC(C)C ZINC000652222111 411175833 /nfs/dbraw/zinc/17/58/33/411175833.db2.gz FVVNBDAJHKZTAS-STQMWFEESA-N 1 3 230.396 1.977 20 0 BDADHO CCO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CN ZINC000405555381 411188193 /nfs/dbraw/zinc/18/81/93/411188193.db2.gz AUKWDKXEZCLABM-VXGBXAGGSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CN ZINC000405555381 411188198 /nfs/dbraw/zinc/18/81/98/411188198.db2.gz AUKWDKXEZCLABM-VXGBXAGGSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H]1CN(CC2CCC2)C[C@H]1C[NH3+] ZINC000405555381 411188201 /nfs/dbraw/zinc/18/82/01/411188201.db2.gz AUKWDKXEZCLABM-VXGBXAGGSA-N 1 3 212.337 1.082 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CNc3ccccc3C2)C1 ZINC000656193777 411200117 /nfs/dbraw/zinc/20/01/17/411200117.db2.gz RPZLELKLJOKLEP-MCIONIFRSA-N 1 3 245.370 1.883 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198435 411202921 /nfs/dbraw/zinc/20/29/21/411202921.db2.gz VOQWKGCNKIUMJA-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC2(CO)CCC2)C1 ZINC000656198435 411202924 /nfs/dbraw/zinc/20/29/24/411202924.db2.gz VOQWKGCNKIUMJA-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO COC1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000309756720 411222901 /nfs/dbraw/zinc/22/29/01/411222901.db2.gz LSMYBRDDSIUKDH-HIFPTAJRSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H](C)C[C@H](C)[NH3+] ZINC000423173682 411236372 /nfs/dbraw/zinc/23/63/72/411236372.db2.gz ZRWBRBADOTYIKG-MMWGEVLESA-N 1 3 200.326 1.269 20 0 BDADHO C[C@@H]1CNC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000401652072 411272650 /nfs/dbraw/zinc/27/26/50/411272650.db2.gz QMEKOWRQBAXDHE-NWANDNLSSA-N 1 3 248.370 1.178 20 0 BDADHO CCC[C@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467626 411279308 /nfs/dbraw/zinc/27/93/08/411279308.db2.gz PWYUXIWFKPPZFG-ZJUUUORDSA-N 1 3 223.324 1.003 20 0 BDADHO C[C@H](CNC[C@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783972 411360874 /nfs/dbraw/zinc/36/08/74/411360874.db2.gz WXRSRTMXUOKTBK-TZMCWYRMSA-N 1 3 233.359 1.774 20 0 BDADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784144 411361933 /nfs/dbraw/zinc/36/19/33/411361933.db2.gz YZSQHANTOIHJDR-OLZOCXBDSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H]1CCCNC1)C2 ZINC000656788056 411366901 /nfs/dbraw/zinc/36/69/01/411366901.db2.gz NPUGGCWVEIEMHF-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@]12COC[C@]1(C)C[N@H+](C[C@H]1CCCNC1)C2 ZINC000656788056 411366903 /nfs/dbraw/zinc/36/69/03/411366903.db2.gz NPUGGCWVEIEMHF-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@]12COC[C@]1(C)CN(C[C@H]1CCC[NH2+]C1)C2 ZINC000656788056 411366909 /nfs/dbraw/zinc/36/69/09/411366909.db2.gz NPUGGCWVEIEMHF-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO C1CC1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2)C1 ZINC000656788036 411368300 /nfs/dbraw/zinc/36/83/00/411368300.db2.gz KYOBMOLBSDIICD-UPJWGTAASA-N 1 3 208.349 1.907 20 0 BDADHO Nc1ccc2c(c1)CC[C@@H]2N[C@H]1CCC[NH2+]CC1 ZINC000656791671 411370863 /nfs/dbraw/zinc/37/08/63/411370863.db2.gz KTHHXEPYPUXEMD-ZFWWWQNUSA-N 1 3 245.370 1.988 20 0 BDADHO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000658333040 411340449 /nfs/dbraw/zinc/34/04/49/411340449.db2.gz SGHKZJDAWDEKNS-KSTCHIGDSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658333040 411340450 /nfs/dbraw/zinc/34/04/50/411340450.db2.gz SGHKZJDAWDEKNS-KSTCHIGDSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658333040 411340453 /nfs/dbraw/zinc/34/04/53/411340453.db2.gz SGHKZJDAWDEKNS-KSTCHIGDSA-N 1 3 238.375 1.626 20 0 BDADHO CC(C)[C@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662435 411375413 /nfs/dbraw/zinc/37/54/13/411375413.db2.gz KDQUBGKKSSUHEG-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662435 411375420 /nfs/dbraw/zinc/37/54/20/411375420.db2.gz KDQUBGKKSSUHEG-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]CCCN(C)C(C)C)CO1 ZINC000657305977 411456951 /nfs/dbraw/zinc/45/69/51/411456951.db2.gz WNUKFRYWAQZTLN-QWHCGFSZSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)C[N@H+](C)CCCNC(=O)CNC(C)C ZINC000659327205 411394698 /nfs/dbraw/zinc/39/46/98/411394698.db2.gz LDPMMBMVPREPMC-UHFFFAOYSA-N 1 3 243.395 1.079 20 0 BDADHO CC(C)C[N@@H+](C)CCCNC(=O)CNC(C)C ZINC000659327205 411394702 /nfs/dbraw/zinc/39/47/02/411394702.db2.gz LDPMMBMVPREPMC-UHFFFAOYSA-N 1 3 243.395 1.079 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CC)C2)CO1 ZINC000657315448 411461515 /nfs/dbraw/zinc/46/15/15/411461515.db2.gz NCJXATCQGSXEBI-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](CC)C2)CO1 ZINC000657315448 411461519 /nfs/dbraw/zinc/46/15/19/411461519.db2.gz NCJXATCQGSXEBI-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315448 411461522 /nfs/dbraw/zinc/46/15/22/411461522.db2.gz NCJXATCQGSXEBI-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1CN ZINC000405900395 411446364 /nfs/dbraw/zinc/44/63/64/411446364.db2.gz ZNPOLRYFRJLLIN-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1CN ZINC000405900395 411446366 /nfs/dbraw/zinc/44/63/66/411446366.db2.gz ZNPOLRYFRJLLIN-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO Cc1c[nH]c(CNCCCC[NH+](C)C)n1 ZINC000657335428 411471549 /nfs/dbraw/zinc/47/15/49/411471549.db2.gz PZUBTKZWNAWAQL-UHFFFAOYSA-N 1 3 210.325 1.150 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C(C)C)C2)CO1 ZINC000657334985 411471554 /nfs/dbraw/zinc/47/15/54/411471554.db2.gz JDZPFCJIZNZQTQ-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C(C)C)C2)CO1 ZINC000657334985 411471556 /nfs/dbraw/zinc/47/15/56/411471556.db2.gz JDZPFCJIZNZQTQ-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)CO1 ZINC000657334985 411471558 /nfs/dbraw/zinc/47/15/58/411471558.db2.gz JDZPFCJIZNZQTQ-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO C[NH+](C)CCCCNCc1cc2n(n1)CCC2 ZINC000657335433 411472258 /nfs/dbraw/zinc/47/22/58/411472258.db2.gz QDZURYWLTWESIF-UHFFFAOYSA-N 1 3 236.363 1.261 20 0 BDADHO C[NH+]1CCC(CNCc2cc3n(n2)CCC3)CC1 ZINC000657349300 411476150 /nfs/dbraw/zinc/47/61/50/411476150.db2.gz PQLRBTMZPVSYTK-UHFFFAOYSA-N 1 3 248.374 1.261 20 0 BDADHO C[N@H+]1CC=C(CNCc2cnn3c2CCC3)CC1 ZINC000657426613 411503746 /nfs/dbraw/zinc/50/37/46/411503746.db2.gz AEBIPLDLIQTAOT-UHFFFAOYSA-N 1 3 246.358 1.181 20 0 BDADHO C[N@@H+]1CC=C(CNCc2cnn3c2CCC3)CC1 ZINC000657426613 411503748 /nfs/dbraw/zinc/50/37/48/411503748.db2.gz AEBIPLDLIQTAOT-UHFFFAOYSA-N 1 3 246.358 1.181 20 0 BDADHO Cc1c[nH]c(CNC2CCC([NH+](C)C)CC2)n1 ZINC000657493368 411534638 /nfs/dbraw/zinc/53/46/38/411534638.db2.gz CKGNMFYIRXNYDV-UHFFFAOYSA-N 1 3 236.363 1.681 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](N)CC)c1 ZINC000131644953 170128226 /nfs/dbraw/zinc/12/82/26/170128226.db2.gz UOCWBWWXVYHIQO-LBPRGKRZSA-N 1 3 235.331 1.472 20 0 BDADHO CC(C)C[C@@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657629236 411566700 /nfs/dbraw/zinc/56/67/00/411566700.db2.gz QNPCSHOMKHONFJ-IHRRRGAJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629236 411566702 /nfs/dbraw/zinc/56/67/02/411566702.db2.gz QNPCSHOMKHONFJ-IHRRRGAJSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(CO)CC1 ZINC000657606974 411561441 /nfs/dbraw/zinc/56/14/41/411561441.db2.gz FPXYLLNTIZDKCN-RWMBFGLXSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(CO)CC1 ZINC000657606974 411561443 /nfs/dbraw/zinc/56/14/43/411561443.db2.gz FPXYLLNTIZDKCN-RWMBFGLXSA-N 1 3 238.375 1.364 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000124461966 170329214 /nfs/dbraw/zinc/32/92/14/170329214.db2.gz JZLDMBDUKQMWSO-NWINJMCUSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000124461966 170329215 /nfs/dbraw/zinc/32/92/15/170329215.db2.gz JZLDMBDUKQMWSO-NWINJMCUSA-N 1 3 238.375 1.770 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000300872840 170382285 /nfs/dbraw/zinc/38/22/85/170382285.db2.gz QYBBGYDMQRPRQM-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CCOCCC[NH2+][C@H]1CCNCC1(C)C ZINC000300872844 170383219 /nfs/dbraw/zinc/38/32/19/170383219.db2.gz QYBBGYDMQRPRQM-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO C[N@H+](C[C@@H](O)CNCC1=CCCC1)C1CC1 ZINC000663363339 411637839 /nfs/dbraw/zinc/63/78/39/411637839.db2.gz JQQYYUJUYWGMOA-ZDUSSCGKSA-N 1 3 224.348 1.141 20 0 BDADHO C[N@@H+](C[C@@H](O)CNCC1=CCCC1)C1CC1 ZINC000663363339 411637844 /nfs/dbraw/zinc/63/78/44/411637844.db2.gz JQQYYUJUYWGMOA-ZDUSSCGKSA-N 1 3 224.348 1.141 20 0 BDADHO C[NH+](C)CC(C)(C)CN[C@@H]1COC2(CCC2)C1 ZINC000657816739 411605558 /nfs/dbraw/zinc/60/55/58/411605558.db2.gz NEVYXDRLFTZZFU-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO CCOCCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661173 411614830 /nfs/dbraw/zinc/61/48/30/411614830.db2.gz ZBBKFFSVRREFNL-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO CCOCCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661173 411614831 /nfs/dbraw/zinc/61/48/31/411614831.db2.gz ZBBKFFSVRREFNL-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOCCF)[C@H](C)C1 ZINC000663463930 411665594 /nfs/dbraw/zinc/66/55/94/411665594.db2.gz OSTXWSXEUVDZGN-NEPJUHHUSA-N 1 3 232.343 1.292 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOCCF)[C@H](C)C1 ZINC000663463930 411665598 /nfs/dbraw/zinc/66/55/98/411665598.db2.gz OSTXWSXEUVDZGN-NEPJUHHUSA-N 1 3 232.343 1.292 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497320 411679258 /nfs/dbraw/zinc/67/92/58/411679258.db2.gz DQZCBHCEGQCUHQ-IGJPJIBNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CCC[C@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497320 411679260 /nfs/dbraw/zinc/67/92/60/411679260.db2.gz DQZCBHCEGQCUHQ-IGJPJIBNSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@@H](COC)NCC[C@@H]([NH3+])C(C)C ZINC000663501664 411686281 /nfs/dbraw/zinc/68/62/81/411686281.db2.gz BEEAZZMPZYVFPQ-WDEREUQCSA-N 1 3 202.342 1.374 20 0 BDADHO CN(C[C@@H]1CC1(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000663514757 411695666 /nfs/dbraw/zinc/69/56/66/411695666.db2.gz SQPKJWOSAXWRDC-WCQYABFASA-N 1 3 210.365 1.964 20 0 BDADHO CN(C)C1CN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663754198 411738968 /nfs/dbraw/zinc/73/89/68/411738968.db2.gz FERJVCJBMMAOJX-UHFFFAOYSA-N 1 3 216.288 1.313 20 0 BDADHO [NH3+]C1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000132428213 411939598 /nfs/dbraw/zinc/93/95/98/411939598.db2.gz MVUWSUYYAONVRI-LBPRGKRZSA-N 1 3 246.354 1.976 20 0 BDADHO CC[C@@H](C)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154586 412007984 /nfs/dbraw/zinc/00/79/84/412007984.db2.gz XWJKJPPHAQBTSO-OCCSQVGLSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H](C)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154586 412007988 /nfs/dbraw/zinc/00/79/88/412007988.db2.gz XWJKJPPHAQBTSO-OCCSQVGLSA-N 1 3 240.391 1.564 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H](OC)C2CCC2)C1 ZINC000662236142 412035544 /nfs/dbraw/zinc/03/55/44/412035544.db2.gz DADKHVNSTSXLIT-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CN1CCC[C@H](C)[C@@H]1C[NH3+])C1CCC1 ZINC000662243412 412039905 /nfs/dbraw/zinc/03/99/05/412039905.db2.gz AGVYSEYWXJFPPA-FPMFFAJLSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](CN)C1 ZINC000662245246 412041773 /nfs/dbraw/zinc/04/17/73/412041773.db2.gz JMCNDVPBJUQHTA-NXEZZACHSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@H](CN)C1 ZINC000662245246 412041775 /nfs/dbraw/zinc/04/17/75/412041775.db2.gz JMCNDVPBJUQHTA-NXEZZACHSA-N 1 3 220.307 1.948 20 0 BDADHO CC[C@H](CC(F)F)CN1CC[C@H](C[NH3+])C1 ZINC000662245246 412041780 /nfs/dbraw/zinc/04/17/80/412041780.db2.gz JMCNDVPBJUQHTA-NXEZZACHSA-N 1 3 220.307 1.948 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662253731 412048301 /nfs/dbraw/zinc/04/83/01/412048301.db2.gz CAMVOEVSNSBECC-AGIUHOORSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662253731 412048305 /nfs/dbraw/zinc/04/83/05/412048305.db2.gz CAMVOEVSNSBECC-AGIUHOORSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662254667 412049791 /nfs/dbraw/zinc/04/97/91/412049791.db2.gz SCQYDFNTPGUGDV-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662254667 412049793 /nfs/dbraw/zinc/04/97/93/412049793.db2.gz SCQYDFNTPGUGDV-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255575 412051854 /nfs/dbraw/zinc/05/18/54/412051854.db2.gz FCNKCJWNJKJXFH-GRYCIOLGSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255575 412051856 /nfs/dbraw/zinc/05/18/56/412051856.db2.gz FCNKCJWNJKJXFH-GRYCIOLGSA-N 1 3 224.348 1.238 20 0 BDADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662255479 412052359 /nfs/dbraw/zinc/05/23/59/412052359.db2.gz PTTWEOACDYWJSY-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662255479 412052362 /nfs/dbraw/zinc/05/23/62/412052362.db2.gz PTTWEOACDYWJSY-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336736032 171041512 /nfs/dbraw/zinc/04/15/12/171041512.db2.gz MENJENWJKGCHTC-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO CC[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCNCC1 ZINC000136184899 171053903 /nfs/dbraw/zinc/05/39/03/171053903.db2.gz AMILAOBJIQSWRT-QWHCGFSZSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@@H]1CC[C@H](C)[N@H+]1CCN1CCNCC1 ZINC000136184899 171053911 /nfs/dbraw/zinc/05/39/11/171053911.db2.gz AMILAOBJIQSWRT-QWHCGFSZSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000020593556 171079673 /nfs/dbraw/zinc/07/96/73/171079673.db2.gz AIIFDTMWBRTKOV-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1nc([C@H](C)N2CCC[C@H](CC[NH3+])C2)n[nH]1 ZINC000662272513 412063590 /nfs/dbraw/zinc/06/35/90/412063590.db2.gz OJIRUMDFKABXDV-GXSJLCMTSA-N 1 3 237.351 1.235 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NCCO[C@@H]1CC1(F)F ZINC000662277905 412068559 /nfs/dbraw/zinc/06/85/59/412068559.db2.gz TWUKGNZEIPJMCX-DTWKUNHWSA-N 1 3 236.306 1.374 20 0 BDADHO CC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C ZINC000124582449 171226992 /nfs/dbraw/zinc/22/69/92/171226992.db2.gz RUHVPSMPICERKW-LLVKDONJSA-N 1 3 243.395 1.031 20 0 BDADHO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662282239 412073699 /nfs/dbraw/zinc/07/36/99/412073699.db2.gz OAWPCGJAIZOSFB-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662282239 412073701 /nfs/dbraw/zinc/07/37/01/412073701.db2.gz OAWPCGJAIZOSFB-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000226396226 171305999 /nfs/dbraw/zinc/30/59/99/171305999.db2.gz YKIDYQWIDLQTBN-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000226396226 171306002 /nfs/dbraw/zinc/30/60/02/171306002.db2.gz YKIDYQWIDLQTBN-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000361038487 171308072 /nfs/dbraw/zinc/30/80/72/171308072.db2.gz PDRUZIFOMQHFAQ-RDBSUJKOSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505670 171370729 /nfs/dbraw/zinc/37/07/29/171370729.db2.gz BCPJNVPIQGSBGI-WDEREUQCSA-N 1 3 243.395 1.064 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000226397192 171370769 /nfs/dbraw/zinc/37/07/69/171370769.db2.gz CRJKPTLMDMLVAO-SDDRHHMPSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000226397192 171370771 /nfs/dbraw/zinc/37/07/71/171370771.db2.gz CRJKPTLMDMLVAO-SDDRHHMPSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662317605 412097817 /nfs/dbraw/zinc/09/78/17/412097817.db2.gz XVVZGTGUYDSLNH-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO C[N@H+](C[C@H]1CC1(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662331618 412105311 /nfs/dbraw/zinc/10/53/11/412105311.db2.gz OIWXLXVEWLWTNK-VXGBXAGGSA-N 1 3 238.375 1.485 20 0 BDADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662331618 412105314 /nfs/dbraw/zinc/10/53/14/412105314.db2.gz OIWXLXVEWLWTNK-VXGBXAGGSA-N 1 3 238.375 1.485 20 0 BDADHO C[N@H+](C[C@H]1CC1(C)C)C[C@H]1CCCNC1 ZINC000662332784 412106491 /nfs/dbraw/zinc/10/64/91/412106491.db2.gz XJBNUDGDBHHUOR-NWDGAFQWSA-N 1 3 210.365 1.964 20 0 BDADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1CCCNC1 ZINC000662332784 412106493 /nfs/dbraw/zinc/10/64/93/412106493.db2.gz XJBNUDGDBHHUOR-NWDGAFQWSA-N 1 3 210.365 1.964 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1cccc(C[NH3+])c1 ZINC000662393279 412142963 /nfs/dbraw/zinc/14/29/63/412142963.db2.gz SHKUZWWESRTAMV-LLVKDONJSA-N 1 3 221.304 1.082 20 0 BDADHO CC[C@H](COCC1CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000665236058 412176087 /nfs/dbraw/zinc/17/60/87/412176087.db2.gz GKGRIOWAXINQQC-GXFFZTMASA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@H](COCC1CC1)[NH2+][C@@H](C)C1CNC1 ZINC000665236058 412176091 /nfs/dbraw/zinc/17/60/91/412176091.db2.gz GKGRIOWAXINQQC-GXFFZTMASA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000665237510 412178408 /nfs/dbraw/zinc/17/84/08/412178408.db2.gz CDDKAPGRRLPIGE-UMSGYPCISA-N 1 3 228.380 1.765 20 0 BDADHO Cc1ccncc1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000665239721 412178420 /nfs/dbraw/zinc/17/84/20/412178420.db2.gz XZOXLIAMJGXKEF-STQMWFEESA-N 1 3 219.332 1.402 20 0 BDADHO Cc1ccncc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000665238766 412178672 /nfs/dbraw/zinc/17/86/72/412178672.db2.gz DAXDBSVDUJGMQZ-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000665238766 412178676 /nfs/dbraw/zinc/17/86/76/412178676.db2.gz DAXDBSVDUJGMQZ-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccncc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665238800 412179046 /nfs/dbraw/zinc/17/90/46/412179046.db2.gz DRSUCFGTVSSRBV-YIONKMFJSA-N 1 3 245.370 1.805 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(C)CC1(F)F ZINC000665267571 412203746 /nfs/dbraw/zinc/20/37/46/412203746.db2.gz YSNYILBINLNILL-XHNCKOQMSA-N 1 3 206.280 1.747 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665261849 412204482 /nfs/dbraw/zinc/20/44/82/412204482.db2.gz NCFAYMQSUVPCPF-AAVRWANBSA-N 1 3 240.391 1.658 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccoc2)C1 ZINC000665263037 412205328 /nfs/dbraw/zinc/20/53/28/412205328.db2.gz DYSCCHFNNDZACW-VXGBXAGGSA-N 1 3 208.305 1.682 20 0 BDADHO C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(F)F ZINC000665265564 412209404 /nfs/dbraw/zinc/20/94/04/412209404.db2.gz YJATZHISLJTOOW-IXMYILBSSA-N 1 3 230.302 1.904 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1(F)F ZINC000665265020 412209465 /nfs/dbraw/zinc/20/94/65/412209465.db2.gz NXWNQBABLFRHPJ-KXUCPTDWSA-N 1 3 218.291 1.749 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000665267538 412210903 /nfs/dbraw/zinc/21/09/03/412210903.db2.gz YKCZQQIXVXPMID-NAKRPEOUSA-N 1 3 248.317 1.374 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@]1(C)CC1(F)F ZINC000665267538 412210905 /nfs/dbraw/zinc/21/09/05/412210905.db2.gz YKCZQQIXVXPMID-NAKRPEOUSA-N 1 3 248.317 1.374 20 0 BDADHO C[C@@H](CN1CCC(C)CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000665272446 412213591 /nfs/dbraw/zinc/21/35/91/412213591.db2.gz FOKNHGMUDPUNGJ-STQMWFEESA-N 1 3 239.407 1.304 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1cccc(N)c1 ZINC000665231961 412170081 /nfs/dbraw/zinc/17/00/81/412170081.db2.gz CARMBKKACNYSJY-UWVGGRQHSA-N 1 3 207.321 1.484 20 0 BDADHO Nc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000665232596 412170684 /nfs/dbraw/zinc/17/06/84/412170684.db2.gz PXPHDNYFWUBIBN-AAEUAGOBSA-N 1 3 219.332 1.486 20 0 BDADHO CCCN1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000665274718 412218002 /nfs/dbraw/zinc/21/80/02/412218002.db2.gz XAVLTGVQIYATHJ-RBKKPWLPSA-N 1 3 237.391 1.343 20 0 BDADHO CC[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665277942 412220508 /nfs/dbraw/zinc/22/05/08/412220508.db2.gz PYOYDBFKJIWMDY-QZQSVVMZSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277942 412220513 /nfs/dbraw/zinc/22/05/13/412220513.db2.gz PYOYDBFKJIWMDY-QZQSVVMZSA-N 1 3 208.349 1.907 20 0 BDADHO COCC1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000665279840 412223088 /nfs/dbraw/zinc/22/30/88/412223088.db2.gz NKWGQYPALLPTCM-UHFFFAOYSA-N 1 3 238.375 1.533 20 0 BDADHO COCC1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000665279840 412223089 /nfs/dbraw/zinc/22/30/89/412223089.db2.gz NKWGQYPALLPTCM-UHFFFAOYSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000665280515 412225014 /nfs/dbraw/zinc/22/50/14/412225014.db2.gz DXIAUCAKZSPSQL-QJPTWQEYSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCO[C@@H](C)C1 ZINC000665280515 412225016 /nfs/dbraw/zinc/22/50/16/412225016.db2.gz DXIAUCAKZSPSQL-QJPTWQEYSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000665281450 412226266 /nfs/dbraw/zinc/22/62/66/412226266.db2.gz COXMATQAHJLJBG-RWMBFGLXSA-N 1 3 228.380 1.765 20 0 BDADHO CC[C@H](NC)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000662579492 412227364 /nfs/dbraw/zinc/22/73/64/412227364.db2.gz VSAOUGJTPIUCCU-LBPRGKRZSA-N 1 3 235.331 1.390 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282263 412227710 /nfs/dbraw/zinc/22/77/10/412227710.db2.gz UNJVIBZUDYWCHS-RWMBFGLXSA-N 1 3 228.380 1.907 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H](C)C1CCSCC1 ZINC000665297953 412244172 /nfs/dbraw/zinc/24/41/72/412244172.db2.gz PAJVBALAMSJBOO-UWVGGRQHSA-N 1 3 216.394 1.716 20 0 BDADHO [NH3+]C1(CC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000662785899 412301295 /nfs/dbraw/zinc/30/12/95/412301295.db2.gz RDMGNBUYECRURK-UHFFFAOYSA-N 1 3 231.299 1.110 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000368463266 173026500 /nfs/dbraw/zinc/02/65/00/173026500.db2.gz UAYBWNTVYIGULL-MCIONIFRSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCO[C@H]1C1CC1 ZINC000368463266 173026502 /nfs/dbraw/zinc/02/65/02/173026502.db2.gz UAYBWNTVYIGULL-MCIONIFRSA-N 1 3 238.375 1.628 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCO[C@H]1C1CC1 ZINC000368463266 173026505 /nfs/dbraw/zinc/02/65/05/173026505.db2.gz UAYBWNTVYIGULL-MCIONIFRSA-N 1 3 238.375 1.628 20 0 BDADHO CN(CCC(C)(C)O)C[C@H]1CCC[N@H+](C)C1 ZINC000360436471 173039282 /nfs/dbraw/zinc/03/92/82/173039282.db2.gz IVXUEQNTFZSKPY-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CN(CCC(C)(C)O)C[C@H]1CCC[N@@H+](C)C1 ZINC000360436471 173039284 /nfs/dbraw/zinc/03/92/84/173039284.db2.gz IVXUEQNTFZSKPY-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CN1CCC[C@H](C[N@H+](C)Cc2ccnc(N)c2)C1 ZINC000278344102 173040478 /nfs/dbraw/zinc/04/04/78/173040478.db2.gz GAIONLUXZUDXSM-ZDUSSCGKSA-N 1 3 248.374 1.437 20 0 BDADHO CN1CCC[C@H](C[N@@H+](C)Cc2ccnc(N)c2)C1 ZINC000278344102 173040480 /nfs/dbraw/zinc/04/04/80/173040480.db2.gz GAIONLUXZUDXSM-ZDUSSCGKSA-N 1 3 248.374 1.437 20 0 BDADHO CN1CCC[C@H]([NH2+]Cc2cncs2)CC1 ZINC000076674567 173045630 /nfs/dbraw/zinc/04/56/30/173045630.db2.gz HGSORMXJEXEQQP-JTQLQIEISA-N 1 3 225.361 1.717 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN(CCO)C1CCC1 ZINC000336662440 173050591 /nfs/dbraw/zinc/05/05/91/173050591.db2.gz MRHPAYBFBMLQHS-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN(CCO)C1CCC1 ZINC000336662440 173050593 /nfs/dbraw/zinc/05/05/93/173050593.db2.gz MRHPAYBFBMLQHS-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704664 173050759 /nfs/dbraw/zinc/05/07/59/173050759.db2.gz XQIIPCANZNQTKP-QWHCGFSZSA-N 1 3 242.407 1.810 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@H](CO)C(C)(C)C ZINC000305704664 173050760 /nfs/dbraw/zinc/05/07/60/173050760.db2.gz XQIIPCANZNQTKP-QWHCGFSZSA-N 1 3 242.407 1.810 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060068 /nfs/dbraw/zinc/06/00/68/173060068.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060071 /nfs/dbraw/zinc/06/00/71/173060071.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060073 /nfs/dbraw/zinc/06/00/73/173060073.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CC3(C)COC3)CC[C@H]21 ZINC000336689568 173060075 /nfs/dbraw/zinc/06/00/75/173060075.db2.gz HSZZJYRTKZKMMF-QWHCGFSZSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCN(C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000336053132 173084928 /nfs/dbraw/zinc/08/49/28/173084928.db2.gz ICLRDJOIZZEZSU-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO C[NH2+]CCN(C)c1ccnc2ccccc21 ZINC000053663872 173353836 /nfs/dbraw/zinc/35/38/36/173353836.db2.gz NFWLSEGALLYTJD-UHFFFAOYSA-N 1 3 215.300 1.890 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC000011892019 173381545 /nfs/dbraw/zinc/38/15/45/173381545.db2.gz OPSCRSBOSUFKJQ-CQSZACIVSA-N 1 3 248.370 1.779 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](N)CC(C)C)c1 ZINC000237107573 173389403 /nfs/dbraw/zinc/38/94/03/173389403.db2.gz CUNXTXCFZHWQJI-ZDUSSCGKSA-N 1 3 249.358 1.718 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCCN2)c1 ZINC000237231857 173389433 /nfs/dbraw/zinc/38/94/33/173389433.db2.gz LUNYRRCDOUARNW-CYBMUJFWSA-N 1 3 247.342 1.487 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@@H](OCC)C12CCC2 ZINC000564822259 322930824 /nfs/dbraw/zinc/93/08/24/322930824.db2.gz JHZAAUBEBFFVBM-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO COC1CC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)C1 ZINC000336763118 174018028 /nfs/dbraw/zinc/01/80/28/174018028.db2.gz LYZODQQINQNOAQ-IGJPJIBNSA-N 1 3 226.364 1.626 20 0 BDADHO COC1CC(N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000336763118 174018030 /nfs/dbraw/zinc/01/80/30/174018030.db2.gz LYZODQQINQNOAQ-IGJPJIBNSA-N 1 3 226.364 1.626 20 0 BDADHO COCCCCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300360429 174176965 /nfs/dbraw/zinc/17/69/65/174176965.db2.gz YJVBPVVAPZAPNA-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COCC[N@H+](CC(C)C)C[C@H]1CCCNC1 ZINC000042370819 174287002 /nfs/dbraw/zinc/28/70/02/174287002.db2.gz ZBPKUTIGAPABQB-ZDUSSCGKSA-N 1 3 228.380 1.590 20 0 BDADHO COCC[N@@H+](CC(C)C)C[C@H]1CCCNC1 ZINC000042370819 174287004 /nfs/dbraw/zinc/28/70/04/174287004.db2.gz ZBPKUTIGAPABQB-ZDUSSCGKSA-N 1 3 228.380 1.590 20 0 BDADHO COCCN(CC(C)C)C[C@H]1CCC[NH2+]C1 ZINC000042370819 174287007 /nfs/dbraw/zinc/28/70/07/174287007.db2.gz ZBPKUTIGAPABQB-ZDUSSCGKSA-N 1 3 228.380 1.590 20 0 BDADHO COCC[C@@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534990 174379099 /nfs/dbraw/zinc/37/90/99/174379099.db2.gz KXQJBTXWDOJBHO-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)C(C)C ZINC000362977212 174868501 /nfs/dbraw/zinc/86/85/01/174868501.db2.gz PLKXQJCIYVGDEK-YNEHKIRRSA-N 1 3 228.380 1.765 20 0 BDADHO COc1cccc([C@H](C)NC[C@@H](C)C[NH3+])c1 ZINC000336686208 175293550 /nfs/dbraw/zinc/29/35/50/175293550.db2.gz UQCKTLZEAJDSHV-QWRGUYRKSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)O1 ZINC000370722863 176224344 /nfs/dbraw/zinc/22/43/44/176224344.db2.gz UNWDUZXSTGOVJL-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)O1 ZINC000370722863 176224345 /nfs/dbraw/zinc/22/43/45/176224345.db2.gz UNWDUZXSTGOVJL-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)CC1=CCCOC1 ZINC000336526522 176268837 /nfs/dbraw/zinc/26/88/37/176268837.db2.gz NDGKUJITANXLKI-OCCSQVGLSA-N 1 3 238.375 1.605 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)CC1=CCCOC1 ZINC000336526522 176268838 /nfs/dbraw/zinc/26/88/38/176268838.db2.gz NDGKUJITANXLKI-OCCSQVGLSA-N 1 3 238.375 1.605 20 0 BDADHO C[C@@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000362073478 176289118 /nfs/dbraw/zinc/28/91/18/176289118.db2.gz WYAHLRMOTRRBFA-ZIAGYGMSSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251694896 176294701 /nfs/dbraw/zinc/29/47/01/176294701.db2.gz IMXDXAUKJSDLQD-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCCO1 ZINC000251663815 176299793 /nfs/dbraw/zinc/29/97/93/176299793.db2.gz GZZXPBBUQKJQTN-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CSC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000336773820 176354731 /nfs/dbraw/zinc/35/47/31/176354731.db2.gz ZFRSRHNHIQRAAK-GRYCIOLGSA-N 1 3 228.405 1.812 20 0 BDADHO C[NH2+]CCCNC[C@@H]1CCOc2ccccc21 ZINC000228394386 487633592 /nfs/dbraw/zinc/63/35/92/487633592.db2.gz HVOLDBHWWRJIRC-LBPRGKRZSA-N 1 3 234.343 1.752 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262607259 176560105 /nfs/dbraw/zinc/56/01/05/176560105.db2.gz TXSJXOPDTZCSMI-MDZLAQPJSA-N 1 3 249.358 1.128 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC(C)(C)CN(C)C ZINC000359364971 177235115 /nfs/dbraw/zinc/23/51/15/177235115.db2.gz PFZHDVRYURFJLX-QWHCGFSZSA-N 1 3 241.423 1.504 20 0 BDADHO C[C@H]1CN(CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223223558 177247030 /nfs/dbraw/zinc/24/70/30/177247030.db2.gz ONCCOLGQBLIQFL-QWRGUYRKSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]1Cc2ccccc2CN1CCC[NH3+] ZINC000082791056 177389710 /nfs/dbraw/zinc/38/97/10/177389710.db2.gz MNVVJXZMRZPVJE-NSHDSACASA-N 1 3 204.317 1.782 20 0 BDADHO COC[C@H](C)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225713187 487638305 /nfs/dbraw/zinc/63/83/05/487638305.db2.gz RLWNKAQYLLBYLB-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H]1C[C@H]1C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000488426596 225395758 /nfs/dbraw/zinc/39/57/58/225395758.db2.gz WKEKIPQJCYZESO-STQMWFEESA-N 1 3 239.407 1.258 20 0 BDADHO CC[NH+](CC)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC000343503425 487664915 /nfs/dbraw/zinc/66/49/15/487664915.db2.gz FQFDIAVGBBKLAP-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO Cn1cncc1CCCN1CC[C@](C)(C[NH3+])C1 ZINC000314870752 487668948 /nfs/dbraw/zinc/66/89/48/487668948.db2.gz KHUXQGWFOYXQBT-CYBMUJFWSA-N 1 3 236.363 1.023 20 0 BDADHO Cn1cncc1CCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000314870752 487668951 /nfs/dbraw/zinc/66/89/51/487668951.db2.gz KHUXQGWFOYXQBT-CYBMUJFWSA-N 1 3 236.363 1.023 20 0 BDADHO Cn1cncc1CCC[N@H+]1CC[C@](C)(CN)C1 ZINC000314870752 487668959 /nfs/dbraw/zinc/66/89/59/487668959.db2.gz KHUXQGWFOYXQBT-CYBMUJFWSA-N 1 3 236.363 1.023 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CS1 ZINC000397773848 262745708 /nfs/dbraw/zinc/74/57/08/262745708.db2.gz AGLUDGGQXYNYPL-NOOOWODRSA-N 1 3 228.405 1.988 20 0 BDADHO Cc1cncc(CN2CCC([C@H](C)[NH3+])CC2)c1 ZINC000228619575 487695028 /nfs/dbraw/zinc/69/50/28/487695028.db2.gz LJPKMSLTVZIHCI-LBPRGKRZSA-N 1 3 233.359 1.949 20 0 BDADHO Cc1cc(C)c(CN[C@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000396973371 262829851 /nfs/dbraw/zinc/82/98/51/262829851.db2.gz IFPUXHSPNCWFIP-OCCSQVGLSA-N 1 3 233.359 1.915 20 0 BDADHO COCC[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717773 487720924 /nfs/dbraw/zinc/72/09/24/487720924.db2.gz YHQAWUMSEZQVSP-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO COCC[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000336717781 487721229 /nfs/dbraw/zinc/72/12/29/487721229.db2.gz YHQAWUMSEZQVSP-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1CC1 ZINC000309238387 487801134 /nfs/dbraw/zinc/80/11/34/487801134.db2.gz KAAUKSSVCYQVQM-ZDUSSCGKSA-N 1 3 228.380 1.419 20 0 BDADHO CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1CC1 ZINC000309238387 487801138 /nfs/dbraw/zinc/80/11/38/487801138.db2.gz KAAUKSSVCYQVQM-ZDUSSCGKSA-N 1 3 228.380 1.419 20 0 BDADHO [NH3+]CCCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000414704878 487818888 /nfs/dbraw/zinc/81/88/88/487818888.db2.gz DPGBUURULUXFKY-HNNXBMFYSA-N 1 3 248.370 1.608 20 0 BDADHO C[C@@H]1CCN(CCC[NH3+])C[C@H]1n1ccnc1 ZINC000414709020 487819439 /nfs/dbraw/zinc/81/94/39/487819439.db2.gz OKPLVPBWFGQAKQ-VXGBXAGGSA-N 1 3 222.336 1.115 20 0 BDADHO C[C@H]1C[C@H](c2cccnc2)N(CCC[NH3+])C1 ZINC000414748524 487821368 /nfs/dbraw/zinc/82/13/68/487821368.db2.gz WRDYGDWUMHDZGH-WCQYABFASA-N 1 3 219.332 1.813 20 0 BDADHO CCC[C@@]1(COC)CCC[N@@H+]1CCCN ZINC000414761062 487823184 /nfs/dbraw/zinc/82/31/84/487823184.db2.gz ZXVCBWKRTDNYHD-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCC[C@@]1(COC)CCC[N@H+]1CCCN ZINC000414761062 487823191 /nfs/dbraw/zinc/82/31/91/487823191.db2.gz ZXVCBWKRTDNYHD-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCc1ccccc1[C@@H](N)CNCCC[NH3+] ZINC000415063276 487835170 /nfs/dbraw/zinc/83/51/70/487835170.db2.gz HNSWIVCZYUWEAI-ZDUSSCGKSA-N 1 3 221.348 1.187 20 0 BDADHO CC[C@H]1CN(CCCCOC)CC[C@H]1[NH3+] ZINC000252874085 487837186 /nfs/dbraw/zinc/83/71/86/487837186.db2.gz VWBGBWSKSPZLEW-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)C[C@H]([NH3+])CNC1(CO)CCCCC1 ZINC000666654900 487851771 /nfs/dbraw/zinc/85/17/71/487851771.db2.gz CVPYBOZGVNVLOT-LBPRGKRZSA-N 1 3 228.380 1.645 20 0 BDADHO [NH3+]CCCN1CCC[C@H]1c1ccc(O)cc1 ZINC000666689055 487860663 /nfs/dbraw/zinc/86/06/63/487860663.db2.gz XDXQFFLIUFEFNZ-ZDUSSCGKSA-N 1 3 220.316 1.878 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1ccc(C)o1 ZINC000234730167 487869247 /nfs/dbraw/zinc/86/92/47/487869247.db2.gz CWLKQKZEBLULPI-LLVKDONJSA-N 1 3 226.320 1.432 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc2cnccc21 ZINC000666826184 487887091 /nfs/dbraw/zinc/88/70/91/487887091.db2.gz PVYJVQZSJMWUMQ-LLVKDONJSA-N 1 3 229.327 1.919 20 0 BDADHO COC[C@@H](C)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993786 487923934 /nfs/dbraw/zinc/92/39/34/487923934.db2.gz JVSFHRIJMRTNBY-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1N ZINC000157895186 487927870 /nfs/dbraw/zinc/92/78/70/487927870.db2.gz CDUMVBXKIJGCDL-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1N ZINC000157895186 487927876 /nfs/dbraw/zinc/92/78/76/487927876.db2.gz CDUMVBXKIJGCDL-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)O[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000404662946 487930971 /nfs/dbraw/zinc/93/09/71/487930971.db2.gz XHHAILUZVBISLW-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000404662946 487930976 /nfs/dbraw/zinc/93/09/76/487930976.db2.gz XHHAILUZVBISLW-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000404662946 487930982 /nfs/dbraw/zinc/93/09/82/487930982.db2.gz XHHAILUZVBISLW-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH2+]CCCN[C@@H](C)Cc1ccoc1 ZINC000564722720 323007526 /nfs/dbraw/zinc/00/75/26/323007526.db2.gz QYYPTZVSPUVJPI-NSHDSACASA-N 1 3 210.321 1.800 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000562959628 323035285 /nfs/dbraw/zinc/03/52/85/323035285.db2.gz NIRFNABTEHMQMD-IGHBBLSQSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCCNC1 ZINC000562959628 323035286 /nfs/dbraw/zinc/03/52/86/323035286.db2.gz NIRFNABTEHMQMD-IGHBBLSQSA-N 1 3 238.375 1.532 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000562962864 323036731 /nfs/dbraw/zinc/03/67/31/323036731.db2.gz UUZMCCOCFUTKAS-MDZLAQPJSA-N 1 3 248.374 1.657 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000570422891 323059137 /nfs/dbraw/zinc/05/91/37/323059137.db2.gz JJVPIOGTQNBZKW-NEPJUHHUSA-N 1 3 244.342 1.698 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000570792707 323070518 /nfs/dbraw/zinc/07/05/18/323070518.db2.gz ISTRILRJFAXBCM-FIQHERPVSA-N 1 3 226.364 1.395 20 0 BDADHO C[C@H](NCCc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000564793176 323101749 /nfs/dbraw/zinc/10/17/49/323101749.db2.gz BHTCFRGKTAPASM-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO C[C@H]([NH2+]CCc1ccc(F)cc1F)C1CNC1 ZINC000564793176 323101750 /nfs/dbraw/zinc/10/17/50/323101750.db2.gz BHTCFRGKTAPASM-VIFPVBQESA-N 1 3 240.297 1.705 20 0 BDADHO CC(C)C[N@@H+]1CC[C@H](CN[C@H](C)[C@@H](C)O)C1 ZINC000563528761 323129096 /nfs/dbraw/zinc/12/90/96/323129096.db2.gz FAAJUUOQQIWFKI-JHJVBQTASA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)C[N@H+]1CC[C@H](CN[C@H](C)[C@@H](C)O)C1 ZINC000563528761 323129097 /nfs/dbraw/zinc/12/90/97/323129097.db2.gz FAAJUUOQQIWFKI-JHJVBQTASA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)CN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)O)C1 ZINC000563528761 323129098 /nfs/dbraw/zinc/12/90/98/323129098.db2.gz FAAJUUOQQIWFKI-JHJVBQTASA-N 1 3 228.380 1.323 20 0 BDADHO COCCNC1CC[NH+](CCCCCF)CC1 ZINC000571172193 323137524 /nfs/dbraw/zinc/13/75/24/323137524.db2.gz PYVMECQSOKAUBR-UHFFFAOYSA-N 1 3 246.370 1.827 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCc2ccc3cncn3c2)C1 ZINC000571225900 323138690 /nfs/dbraw/zinc/13/86/90/323138690.db2.gz DTNCPASGLWPPQV-STQMWFEESA-N 1 3 244.342 1.694 20 0 BDADHO Nc1ncc(CN2CCC(CC[NH3+])CC2)s1 ZINC000571451118 323145105 /nfs/dbraw/zinc/14/51/05/323145105.db2.gz JUWKINLDBGBRIY-UHFFFAOYSA-N 1 3 240.376 1.116 20 0 BDADHO CCn1nccc1C[NH2+]C1CCN(CC)CC1 ZINC000125122576 323169823 /nfs/dbraw/zinc/16/98/23/323169823.db2.gz JFGSIJMKNQTQCI-UHFFFAOYSA-N 1 3 236.363 1.477 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000395158488 323189365 /nfs/dbraw/zinc/18/93/65/323189365.db2.gz MRQMNAQRAACVMK-UMSGYPCISA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000395158488 323189366 /nfs/dbraw/zinc/18/93/66/323189366.db2.gz MRQMNAQRAACVMK-UMSGYPCISA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000395158488 323189367 /nfs/dbraw/zinc/18/93/67/323189367.db2.gz MRQMNAQRAACVMK-UMSGYPCISA-N 1 3 226.364 1.484 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530214988 323216836 /nfs/dbraw/zinc/21/68/36/323216836.db2.gz ZNTWYSUYSHDCSF-RDBSUJKOSA-N 1 3 240.391 1.910 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000530219333 323218153 /nfs/dbraw/zinc/21/81/53/323218153.db2.gz JCFYTUCHFYXBLS-CHWSQXEVSA-N 1 3 249.358 1.492 20 0 BDADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cn1 ZINC000530219333 323218156 /nfs/dbraw/zinc/21/81/56/323218156.db2.gz JCFYTUCHFYXBLS-CHWSQXEVSA-N 1 3 249.358 1.492 20 0 BDADHO C[N@H+](C[C@H]1CCCC[C@H]1O)C1CCNCC1 ZINC000328460290 323251660 /nfs/dbraw/zinc/25/16/60/323251660.db2.gz GYGFEHSPBDWGQJ-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+](C[C@H]1CCCC[C@H]1O)C1CCNCC1 ZINC000328460290 323251664 /nfs/dbraw/zinc/25/16/64/323251664.db2.gz GYGFEHSPBDWGQJ-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO CN(C[C@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328460290 323251666 /nfs/dbraw/zinc/25/16/66/323251666.db2.gz GYGFEHSPBDWGQJ-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO C[NH+]1CCC(CNCc2ccc(F)cn2)CC1 ZINC000529541013 324331871 /nfs/dbraw/zinc/33/18/71/324331871.db2.gz ZKFZAMCNBGHQHS-UHFFFAOYSA-N 1 3 237.322 1.652 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000131886503 325189729 /nfs/dbraw/zinc/18/97/29/325189729.db2.gz LUWNSGKCRMTOQI-ZIAGYGMSSA-N 1 3 242.407 1.981 20 0 BDADHO COCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000075860164 325318075 /nfs/dbraw/zinc/31/80/75/325318075.db2.gz VFKBRDPFNPTBIW-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO COCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000075860164 325318078 /nfs/dbraw/zinc/31/80/78/325318078.db2.gz VFKBRDPFNPTBIW-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO [NH3+]CCCCC(=O)Nc1cccc2c1CCNC2 ZINC000564942061 325830893 /nfs/dbraw/zinc/83/08/93/325830893.db2.gz GVWSYRDDRDZBHQ-UHFFFAOYSA-N 1 3 247.342 1.400 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000565775678 325955940 /nfs/dbraw/zinc/95/59/40/325955940.db2.gz NLOPNELJRSGHIW-VLJOUNFMSA-N 1 3 244.354 1.609 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482011 326055820 /nfs/dbraw/zinc/05/58/20/326055820.db2.gz LPVQAELYOBLCAK-LOWDOPEQSA-N 1 3 208.349 1.892 20 0 BDADHO O=C(Nc1cccc2c1CCNC2)[C@@H]1CCC[NH2+]1 ZINC000566733131 326077365 /nfs/dbraw/zinc/07/73/65/326077365.db2.gz OAXMPMURROTVLK-ZDUSSCGKSA-N 1 3 245.326 1.023 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccn(C)c1 ZINC000157112755 326257357 /nfs/dbraw/zinc/25/73/57/326257357.db2.gz JWHMCUBBZNEYLN-YPMHNXCESA-N 1 3 221.348 1.455 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccn(C)c1 ZINC000157112755 326257359 /nfs/dbraw/zinc/25/73/59/326257359.db2.gz JWHMCUBBZNEYLN-YPMHNXCESA-N 1 3 221.348 1.455 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)nnn2C ZINC000567871001 326274087 /nfs/dbraw/zinc/27/40/87/326274087.db2.gz FIBOMCBJKVPORA-NXEZZACHSA-N 1 3 247.346 1.184 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000568162144 326316538 /nfs/dbraw/zinc/31/65/38/326316538.db2.gz PBRBKWNMMBKRFE-AAEUAGOBSA-N 1 3 236.363 1.393 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOCC2CCC2)C1 ZINC000568247186 326333728 /nfs/dbraw/zinc/33/37/28/326333728.db2.gz DSIXOKBLYRXENV-OLZOCXBDSA-N 1 3 226.364 1.663 20 0 BDADHO Cc1noc(C)c1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568247223 326333853 /nfs/dbraw/zinc/33/38/53/326333853.db2.gz FPHNJPZBQJCONE-NWDGAFQWSA-N 1 3 237.347 1.693 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295336 326342898 /nfs/dbraw/zinc/34/28/98/326342898.db2.gz YMBVTIMQPGHXTD-KKOKHZNYSA-N 1 3 212.337 1.007 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000568415241 326356357 /nfs/dbraw/zinc/35/63/57/326356357.db2.gz MACQJSVTUHBRJM-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@H](CNc1nccc2[nH]ccc21)[NH+](C)C ZINC000663438388 488012571 /nfs/dbraw/zinc/01/25/71/488012571.db2.gz GLTZEKFXCHIEJA-SECBINFHSA-N 1 3 218.304 1.925 20 0 BDADHO CC[C@H]1CN(CCCOC)CC[C@@H]1[NH3+] ZINC000147417447 488015576 /nfs/dbraw/zinc/01/55/76/488015576.db2.gz AAOVAPLQARYOGN-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO COC[C@H](C)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000045706801 488026792 /nfs/dbraw/zinc/02/67/92/488026792.db2.gz NTVNTMFXQSKBCA-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@@H]1C ZINC000045706801 488026798 /nfs/dbraw/zinc/02/67/98/488026798.db2.gz NTVNTMFXQSKBCA-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@H](N)C[C@@H]1C ZINC000045706801 488026803 /nfs/dbraw/zinc/02/68/03/488026803.db2.gz NTVNTMFXQSKBCA-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO [NH3+]CCCNCCOc1cccc(Cl)c1 ZINC000159448346 488031244 /nfs/dbraw/zinc/03/12/44/488031244.db2.gz QIMJNWCETQTZPX-UHFFFAOYSA-N 1 3 228.723 1.657 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000401942285 488073797 /nfs/dbraw/zinc/07/37/97/488073797.db2.gz TXMRYSZHJXVYIO-XQQFMLRXSA-N 1 3 226.364 1.663 20 0 BDADHO CCO[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000677603300 488084071 /nfs/dbraw/zinc/08/40/71/488084071.db2.gz YMVWZCYQOGVULW-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CCO[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000677603300 488084074 /nfs/dbraw/zinc/08/40/74/488084074.db2.gz YMVWZCYQOGVULW-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CCCN1CC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000389253512 488085047 /nfs/dbraw/zinc/08/50/47/488085047.db2.gz NEFRJFHHLQVUGP-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]1 ZINC000669508384 488108887 /nfs/dbraw/zinc/10/88/87/488108887.db2.gz QTNXIXWPZRAIBN-CYBMUJFWSA-N 1 3 233.315 1.226 20 0 BDADHO CC(C)C[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000669508287 488109343 /nfs/dbraw/zinc/10/93/43/488109343.db2.gz AHNCDGQYGFTVMY-LLVKDONJSA-N 1 3 241.379 1.138 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667775317 488117642 /nfs/dbraw/zinc/11/76/42/488117642.db2.gz JATVTJIJTIFOJC-UONOGXRCSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667775315 488117935 /nfs/dbraw/zinc/11/79/35/488117935.db2.gz JATVTJIJTIFOJC-KBPBESRZSA-N 1 3 240.391 1.874 20 0 BDADHO CCN1CCN(CCC[NH+](CC)CC)C[C@H]1C ZINC000683141630 488118321 /nfs/dbraw/zinc/11/83/21/488118321.db2.gz IWUBNICVLYIRKM-CQSZACIVSA-N 1 3 241.423 1.744 20 0 BDADHO CCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000233504342 488126734 /nfs/dbraw/zinc/12/67/34/488126734.db2.gz JHGIPCPNOWNJRB-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](C[C@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000233504342 488126741 /nfs/dbraw/zinc/12/67/41/488126741.db2.gz JHGIPCPNOWNJRB-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000233504342 488126747 /nfs/dbraw/zinc/12/67/47/488126747.db2.gz JHGIPCPNOWNJRB-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000403612007 488129372 /nfs/dbraw/zinc/12/93/72/488129372.db2.gz IZHZVKGDEOHWLQ-RKQHYHRCSA-N 1 3 220.360 1.574 20 0 BDADHO CCC[NH+]1CCC(NC2([C@@H](C)O)CC2)CC1 ZINC000668698364 488130421 /nfs/dbraw/zinc/13/04/21/488130421.db2.gz AVEGDFMUICKISW-LLVKDONJSA-N 1 3 226.364 1.364 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)N1CCCC1 ZINC000161076718 487475944 /nfs/dbraw/zinc/47/59/44/487475944.db2.gz GMINUGIBYOCZTR-WCQYABFASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662257597 487493494 /nfs/dbraw/zinc/49/34/94/487493494.db2.gz DYNTWWBBJDSQHD-GRYCIOLGSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662257597 487493499 /nfs/dbraw/zinc/49/34/99/487493499.db2.gz DYNTWWBBJDSQHD-GRYCIOLGSA-N 1 3 224.348 1.380 20 0 BDADHO C[N@H+](CCC(C)(C)C1CC1)C[C@H](O)CN ZINC000405951004 487496812 /nfs/dbraw/zinc/49/68/12/487496812.db2.gz GCMUXZLXEMWQLD-LLVKDONJSA-N 1 3 214.353 1.064 20 0 BDADHO C[N@@H+](CCC(C)(C)C1CC1)C[C@H](O)CN ZINC000405951004 487496819 /nfs/dbraw/zinc/49/68/19/487496819.db2.gz GCMUXZLXEMWQLD-LLVKDONJSA-N 1 3 214.353 1.064 20 0 BDADHO CN(CCC(C)(C)C1CC1)C[C@H](O)C[NH3+] ZINC000405951004 487496824 /nfs/dbraw/zinc/49/68/24/487496824.db2.gz GCMUXZLXEMWQLD-LLVKDONJSA-N 1 3 214.353 1.064 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@@H]2CCCO2)CC1 ZINC000019963411 487509495 /nfs/dbraw/zinc/50/94/95/487509495.db2.gz YVMJJSXZMOPFPI-ZDUSSCGKSA-N 1 3 226.364 1.628 20 0 BDADHO NC[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000300367515 487779380 /nfs/dbraw/zinc/77/93/80/487779380.db2.gz KWTCGFSWGBFBBW-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000300367515 487779383 /nfs/dbraw/zinc/77/93/83/487779383.db2.gz KWTCGFSWGBFBBW-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000300367515 487779387 /nfs/dbraw/zinc/77/93/87/487779387.db2.gz KWTCGFSWGBFBBW-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO CCC[N@H+](C)CC(C)(C)NCCn1ccnc1 ZINC000662178032 488144210 /nfs/dbraw/zinc/14/42/10/488144210.db2.gz OSXIJBPBNJWHKP-UHFFFAOYSA-N 1 3 238.379 1.593 20 0 BDADHO CCC[N@@H+](C)CC(C)(C)NCCn1ccnc1 ZINC000662178032 488144215 /nfs/dbraw/zinc/14/42/15/488144215.db2.gz OSXIJBPBNJWHKP-UHFFFAOYSA-N 1 3 238.379 1.593 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)CC[C@@H]1C ZINC000380145004 488175582 /nfs/dbraw/zinc/17/55/82/488175582.db2.gz HDYLLEYHSVZEBB-RDBSUJKOSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)CC[C@@H]1C ZINC000380145004 488175585 /nfs/dbraw/zinc/17/55/85/488175585.db2.gz HDYLLEYHSVZEBB-RDBSUJKOSA-N 1 3 242.407 1.808 20 0 BDADHO CC1(C)CCN(CCC[NH3+])CCS1 ZINC000231036825 488179840 /nfs/dbraw/zinc/17/98/40/488179840.db2.gz BTYKMVQBEGKNQG-UHFFFAOYSA-N 1 3 202.367 1.553 20 0 BDADHO CC1(C)CC[N@H+](CCCN)CCS1 ZINC000231036825 488179844 /nfs/dbraw/zinc/17/98/44/488179844.db2.gz BTYKMVQBEGKNQG-UHFFFAOYSA-N 1 3 202.367 1.553 20 0 BDADHO CC1(C)CC[N@@H+](CCCN)CCS1 ZINC000231036825 488179847 /nfs/dbraw/zinc/17/98/47/488179847.db2.gz BTYKMVQBEGKNQG-UHFFFAOYSA-N 1 3 202.367 1.553 20 0 BDADHO Cc1cc(CN[C@@H](C)C2CC[NH+](C)CC2)ncn1 ZINC000678605623 488271577 /nfs/dbraw/zinc/27/15/77/488271577.db2.gz RZFJYFAZSZKWNG-LBPRGKRZSA-N 1 3 248.374 1.605 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCCCO)C1 ZINC000679340018 488341803 /nfs/dbraw/zinc/34/18/03/488341803.db2.gz MYYYOBLAOVTHAT-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO C(N[C@H](C1CC1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000325083971 490105856 /nfs/dbraw/zinc/10/58/56/490105856.db2.gz ZRQOXLQYFKKVJB-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO C(CN[C@@H]1CCCOC1)C[NH+]1CCCC1 ZINC000069606475 490174380 /nfs/dbraw/zinc/17/43/80/490174380.db2.gz HDEQUJLBSKUEML-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO C(C[NH2+][C@@H]1CCCOC1)CN1CCCC1 ZINC000069606475 490174376 /nfs/dbraw/zinc/17/43/76/490174376.db2.gz HDEQUJLBSKUEML-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000575780540 490217316 /nfs/dbraw/zinc/21/73/16/490217316.db2.gz JQUVTJHVYLXYAP-UHFFFAOYSA-N 1 3 233.315 1.097 20 0 BDADHO CN(C)[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000091392365 491071705 /nfs/dbraw/zinc/07/17/05/491071705.db2.gz BPGMOQRKWUGNCM-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](NCCN1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400720069 533857321 /nfs/dbraw/zinc/85/73/21/533857321.db2.gz OGDBREQXZZXCSF-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000400562497 534076624 /nfs/dbraw/zinc/07/66/24/534076624.db2.gz IAOIYJJKTMDZLR-GVXVVHGQSA-N 1 3 225.380 1.199 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494686563 527893202 /nfs/dbraw/zinc/89/32/02/527893202.db2.gz OVYRDIGQNGEYPF-CMPLNLGQSA-N 1 3 229.368 1.138 20 0 BDADHO CC(C)C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N(C)C ZINC000400758838 528533520 /nfs/dbraw/zinc/53/35/20/528533520.db2.gz XRFIBLPGOHNZBG-MGPQQGTHSA-N 1 3 241.423 1.693 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253029909 535161157 /nfs/dbraw/zinc/16/11/57/535161157.db2.gz QPTMQSPCGKCMGM-REWJHTLYSA-N 1 3 240.391 1.514 20 0 BDADHO CC(C)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219307295 535167330 /nfs/dbraw/zinc/16/73/30/535167330.db2.gz FTLWRAWTLUBQBT-LLVKDONJSA-N 1 3 202.342 1.199 20 0 BDADHO CC(C)N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000335320870 535197004 /nfs/dbraw/zinc/19/70/04/535197004.db2.gz IRNNGAYAQPBMQE-ZDUSSCGKSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000335320870 535197007 /nfs/dbraw/zinc/19/70/07/535197007.db2.gz IRNNGAYAQPBMQE-ZDUSSCGKSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)([NH3+])CN1CCN(C2CCCCC2)CC1 ZINC000335855774 535199152 /nfs/dbraw/zinc/19/91/52/535199152.db2.gz NGRDIEGXRYNDSZ-UHFFFAOYSA-N 1 3 239.407 1.674 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)NC1COC1 ZINC000082487875 535519540 /nfs/dbraw/zinc/51/95/40/535519540.db2.gz IBLKOGJGNSXSRR-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000348128887 535860725 /nfs/dbraw/zinc/86/07/25/535860725.db2.gz QNFHEFHYSIFJGI-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC000348128887 535860727 /nfs/dbraw/zinc/86/07/27/535860727.db2.gz QNFHEFHYSIFJGI-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](CCO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251134983 536091682 /nfs/dbraw/zinc/09/16/82/536091682.db2.gz ZCPWBDBCAZWYII-MCIONIFRSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251134983 536091687 /nfs/dbraw/zinc/09/16/87/536091687.db2.gz ZCPWBDBCAZWYII-MCIONIFRSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251134983 536091694 /nfs/dbraw/zinc/09/16/94/536091694.db2.gz ZCPWBDBCAZWYII-MCIONIFRSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](COC)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223020534 536122090 /nfs/dbraw/zinc/12/20/90/536122090.db2.gz OJDOEFKKROWIHP-MXWKQRLJSA-N 1 3 200.326 1.271 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000336119421 536138459 /nfs/dbraw/zinc/13/84/59/536138459.db2.gz NPVWLSQENNORMR-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000336119421 536138462 /nfs/dbraw/zinc/13/84/62/536138462.db2.gz NPVWLSQENNORMR-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000348148509 536371158 /nfs/dbraw/zinc/37/11/58/536371158.db2.gz IOGQOOWDSSKADR-MCIONIFRSA-N 1 3 240.391 1.611 20 0 BDADHO CN(CCOCC1CC1)CC(C)(C)C[NH3+] ZINC000087400198 536393367 /nfs/dbraw/zinc/39/33/67/536393367.db2.gz SWDPHRZLZFLRLC-UHFFFAOYSA-N 1 3 214.353 1.330 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000261530961 536707028 /nfs/dbraw/zinc/70/70/28/536707028.db2.gz DQZZXKDYPCJDGX-KXNHARMFSA-N 1 3 212.337 1.271 20 0 BDADHO CC(C)[C@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000893399996 583136390 /nfs/dbraw/zinc/13/63/90/583136390.db2.gz BZAHXFLOZZRFOH-CQSZACIVSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@]1(CN)CC[N@H+](CCC2SCCS2)C1 ZINC000853023455 588716696 /nfs/dbraw/zinc/71/66/96/588716696.db2.gz XPZZLBVZZNXQDX-LLVKDONJSA-N 1 3 246.445 1.853 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CCC2SCCS2)C1 ZINC000853023455 588716697 /nfs/dbraw/zinc/71/66/97/588716697.db2.gz XPZZLBVZZNXQDX-LLVKDONJSA-N 1 3 246.445 1.853 20 0 BDADHO C[C@]1(C[NH3+])CCN(CCC2SCCS2)C1 ZINC000853023455 588716698 /nfs/dbraw/zinc/71/66/98/588716698.db2.gz XPZZLBVZZNXQDX-LLVKDONJSA-N 1 3 246.445 1.853 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCC1SCCS1 ZINC000854230291 588781076 /nfs/dbraw/zinc/78/10/76/588781076.db2.gz LYNIGMLFQCDGSQ-DTWKUNHWSA-N 1 3 234.434 1.898 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCC1SCCS1 ZINC000854230291 588781077 /nfs/dbraw/zinc/78/10/77/588781077.db2.gz LYNIGMLFQCDGSQ-DTWKUNHWSA-N 1 3 234.434 1.898 20 0 BDADHO C1=C[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000854221933 588780415 /nfs/dbraw/zinc/78/04/15/588780415.db2.gz VRUNRWJBEAEJNI-XDQVBPFNSA-N 1 3 236.359 1.452 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000804797918 582558904 /nfs/dbraw/zinc/55/89/04/582558904.db2.gz RKRVQWZPBIMZCJ-LLVKDONJSA-N 1 3 205.305 1.612 20 0 BDADHO CN1CCC(C[NH+]2C3CCC2CC3)CC1 ZINC000891555005 582696982 /nfs/dbraw/zinc/69/69/82/582696982.db2.gz HNTGPGBPUXAVCQ-UHFFFAOYSA-N 1 3 208.349 1.955 20 0 BDADHO C[C@H]1C[N@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000892068313 582783341 /nfs/dbraw/zinc/78/33/41/582783341.db2.gz KLANFNVVVDYVCD-TXEJJXNPSA-N 1 3 210.365 1.916 20 0 BDADHO C[C@H]1C[N@@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000892068313 582783342 /nfs/dbraw/zinc/78/33/42/582783342.db2.gz KLANFNVVVDYVCD-TXEJJXNPSA-N 1 3 210.365 1.916 20 0 BDADHO C[C@H](C1CC1)N1CCC([N@H+](C)CCCO)CC1 ZINC000782181703 582870007 /nfs/dbraw/zinc/87/00/07/582870007.db2.gz JKSWTUWOMFBREB-GFCCVEGCSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](C1CC1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000782181703 582870010 /nfs/dbraw/zinc/87/00/10/582870010.db2.gz JKSWTUWOMFBREB-GFCCVEGCSA-N 1 3 240.391 1.564 20 0 BDADHO CO[C@@H]1CC[N@H+](CC2CCN(C)CC2)[C@H](C)C1 ZINC000894252926 583392774 /nfs/dbraw/zinc/39/27/74/583392774.db2.gz CSQMBZATLOXKPT-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CC[N@@H+](CC2CCN(C)CC2)[C@H](C)C1 ZINC000894252926 583392776 /nfs/dbraw/zinc/39/27/76/583392776.db2.gz CSQMBZATLOXKPT-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CC[N@H+](CC2CCN(C)CC2)[C@@H](C)C1 ZINC000894252920 583393028 /nfs/dbraw/zinc/39/30/28/583393028.db2.gz CSQMBZATLOXKPT-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CC[N@@H+](CC2CCN(C)CC2)[C@@H](C)C1 ZINC000894252920 583393031 /nfs/dbraw/zinc/39/30/31/583393031.db2.gz CSQMBZATLOXKPT-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO COCC1(C)C[NH+](CC2CCN(C)CC2)C1 ZINC000894841809 583530528 /nfs/dbraw/zinc/53/05/28/583530528.db2.gz XZHKYMLBLSKPDV-UHFFFAOYSA-N 1 3 226.364 1.297 20 0 BDADHO COCC1(C)CN(CC2CC[NH+](C)CC2)C1 ZINC000894841809 583530529 /nfs/dbraw/zinc/53/05/29/583530529.db2.gz XZHKYMLBLSKPDV-UHFFFAOYSA-N 1 3 226.364 1.297 20 0 BDADHO CN1CCC(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000894864010 583536600 /nfs/dbraw/zinc/53/66/00/583536600.db2.gz ZNQWKMRWFYTDIU-KGLIPLIRSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC(C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000894864010 583536603 /nfs/dbraw/zinc/53/66/03/583536603.db2.gz ZNQWKMRWFYTDIU-KGLIPLIRSA-N 1 3 238.375 1.439 20 0 BDADHO COC[C@H](CC(C)C)NCC[C@H](C)[NH+](C)C ZINC000895293670 583639675 /nfs/dbraw/zinc/63/96/75/583639675.db2.gz JASZAZXBUUXZLI-STQMWFEESA-N 1 3 230.396 1.977 20 0 BDADHO C[C@@H]1[C@H](Nc2cc(N)[nH+]cc2Cl)CCN1C ZINC000895735484 583717362 /nfs/dbraw/zinc/71/73/62/583717362.db2.gz VHRJMETYYLUMRM-VXNVDRBHSA-N 1 3 240.738 1.822 20 0 BDADHO CCO[C@H](CNC[C@H]1CCC=CO1)C[NH+](C)C ZINC000896879530 583845106 /nfs/dbraw/zinc/84/51/06/583845106.db2.gz CWCHVTSQNZVDKY-CHWSQXEVSA-N 1 3 242.363 1.235 20 0 BDADHO CC[NH+](CC)[C@H](C)CNc1ccnc(CO)c1 ZINC000858345904 588947550 /nfs/dbraw/zinc/94/75/50/588947550.db2.gz AXRAHBLSVPUBND-LLVKDONJSA-N 1 3 237.347 1.716 20 0 BDADHO C[C@@H](CNc1ccnc(CO)c1)C[NH+]1CCCC1 ZINC000858356491 588948500 /nfs/dbraw/zinc/94/85/00/588948500.db2.gz XYDQPEBYXKFEDZ-LBPRGKRZSA-N 1 3 249.358 1.718 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(c2ccnc(CO)c2)CC1 ZINC000858515401 588962291 /nfs/dbraw/zinc/96/22/91/588962291.db2.gz KDZASVXXGCFTBD-CYBMUJFWSA-N 1 3 249.358 1.494 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccnc(CO)c1 ZINC000858550560 588964648 /nfs/dbraw/zinc/96/46/48/588964648.db2.gz PMSJAZOZZDESNJ-LLVKDONJSA-N 1 3 237.347 1.715 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](C)Nc1ccnc(CO)c1 ZINC000858550560 588964650 /nfs/dbraw/zinc/96/46/50/588964650.db2.gz PMSJAZOZZDESNJ-LLVKDONJSA-N 1 3 237.347 1.715 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H]1C1CCCC1 ZINC000899912388 584253739 /nfs/dbraw/zinc/25/37/39/584253739.db2.gz JCFSQIGLUXDMIO-KGLIPLIRSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H]1C1CCCC1 ZINC000899912388 584253740 /nfs/dbraw/zinc/25/37/40/584253740.db2.gz JCFSQIGLUXDMIO-KGLIPLIRSA-N 1 3 240.391 1.564 20 0 BDADHO CCn1cnc(CNCCCC[NH+](C)C)c1 ZINC000902131258 584529630 /nfs/dbraw/zinc/52/96/30/584529630.db2.gz RYVZNQGBKIEKRG-UHFFFAOYSA-N 1 3 224.352 1.334 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CCCCO2)C1 ZINC000902320738 584552420 /nfs/dbraw/zinc/55/24/20/584552420.db2.gz RYCKFRGJPKBROF-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902326043 584560529 /nfs/dbraw/zinc/56/05/29/584560529.db2.gz BLIZVKMOGBNLRU-AVGNSLFASA-N 1 3 242.407 1.761 20 0 BDADHO CO[C@@H](C)[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902375089 584567181 /nfs/dbraw/zinc/56/71/81/584567181.db2.gz ABHBAEYTAPHYHD-SRVKXCTJSA-N 1 3 228.380 1.778 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)C1 ZINC000902378160 584568522 /nfs/dbraw/zinc/56/85/22/584568522.db2.gz UOFKJXVPOPERIE-AVGNSLFASA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902362114 584571965 /nfs/dbraw/zinc/57/19/65/584571965.db2.gz WBFVEXVHASJQIE-JSGCOSHPSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)[C@@](C)(O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362114 584571966 /nfs/dbraw/zinc/57/19/66/584571966.db2.gz WBFVEXVHASJQIE-JSGCOSHPSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)CO[C@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000902412460 584576173 /nfs/dbraw/zinc/57/61/73/584576173.db2.gz AHGMHUBCFLNHBQ-NEPJUHHUSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H](O)C2CCC2)C1 ZINC000902386283 584578027 /nfs/dbraw/zinc/57/80/27/584578027.db2.gz DXNSXXWNMATXEF-CHWSQXEVSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000902386283 584578029 /nfs/dbraw/zinc/57/80/29/584578029.db2.gz DXNSXXWNMATXEF-CHWSQXEVSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H](O)CCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902385345 584578684 /nfs/dbraw/zinc/57/86/84/584578684.db2.gz ZUYNUWWMYKIEPH-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](O)CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385345 584578685 /nfs/dbraw/zinc/57/86/85/584578685.db2.gz ZUYNUWWMYKIEPH-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387795 584579704 /nfs/dbraw/zinc/57/97/04/584579704.db2.gz LLIPVSKTEWISJP-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902387795 584579705 /nfs/dbraw/zinc/57/97/05/584579705.db2.gz LLIPVSKTEWISJP-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428000 584594219 /nfs/dbraw/zinc/59/42/19/584594219.db2.gz AEAZCAISSFEXGB-CYDGBPFRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCC[C@@H]1CCCC[C@@H]1O ZINC000902428000 584594220 /nfs/dbraw/zinc/59/42/20/584594220.db2.gz AEAZCAISSFEXGB-CYDGBPFRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](CCc1ccco1)NCC1([NH3+])CC1 ZINC000902414820 584600439 /nfs/dbraw/zinc/60/04/39/584600439.db2.gz CXLMBLQWHRWXIL-SNVBAGLBSA-N 1 3 208.305 1.682 20 0 BDADHO NOCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000902414814 584600636 /nfs/dbraw/zinc/60/06/36/584600636.db2.gz CVHDLVDTMMJZDP-STQMWFEESA-N 1 3 241.379 1.025 20 0 BDADHO C1C[C@@H]2N[C@H]1C[C@H]2[NH2+]C1CCSCC1 ZINC000902473120 584600895 /nfs/dbraw/zinc/60/08/95/584600895.db2.gz RKEFJCTVLJEDHQ-OUAUKWLOSA-N 1 3 212.362 1.365 20 0 BDADHO C[C@H]([NH2+][C@H]1CNCC1(C)C)[C@H]1CCCOC1 ZINC000902451385 584607137 /nfs/dbraw/zinc/60/71/37/584607137.db2.gz XEWKMVRBHCUYPU-SRVKXCTJSA-N 1 3 226.364 1.389 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCc2ccc3nonc3c2)C1 ZINC000902452808 584607964 /nfs/dbraw/zinc/60/79/64/584607964.db2.gz BDKBPNHJMBQWMO-QWRGUYRKSA-N 1 3 246.314 1.582 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCC(C)(C)C1 ZINC000902455124 584609391 /nfs/dbraw/zinc/60/93/91/584609391.db2.gz JDVWRVXEMIYSNY-RYUDHWBXSA-N 1 3 227.396 1.434 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000902456803 584610155 /nfs/dbraw/zinc/61/01/55/584610155.db2.gz PPTAVEVIUQPNJB-WHCZJHEKSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@@H](NC[C@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461543 584611724 /nfs/dbraw/zinc/61/17/24/584611724.db2.gz ONERMZIBKQHWCE-ZYHUDNBSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C1CNC1 ZINC000902461543 584611725 /nfs/dbraw/zinc/61/17/25/584611725.db2.gz ONERMZIBKQHWCE-ZYHUDNBSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CN1C1CC1 ZINC000902465012 584613411 /nfs/dbraw/zinc/61/34/11/584613411.db2.gz FPECVYALCYHSLE-APLVYKGISA-N 1 3 235.375 1.094 20 0 BDADHO C1CC2(CCOCC2)[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468915 584615290 /nfs/dbraw/zinc/61/52/90/584615290.db2.gz YAXMFKJTXJEFIA-YVECIDJPSA-N 1 3 236.359 1.428 20 0 BDADHO CC(C)[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471950 584617618 /nfs/dbraw/zinc/61/76/18/584617618.db2.gz VGXSIXXNCPMDCR-LOWDOPEQSA-N 1 3 208.349 1.904 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503716 584620639 /nfs/dbraw/zinc/62/06/39/584620639.db2.gz JSLPVVPNBRRFSH-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC[C@@H](O)C1CC1 ZINC000902503716 584620640 /nfs/dbraw/zinc/62/06/40/584620640.db2.gz JSLPVVPNBRRFSH-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@@H]1CCCCCN1 ZINC000902481226 584622918 /nfs/dbraw/zinc/62/29/18/584622918.db2.gz BSLYEXUGNYJZGO-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCCN1)[C@H]1CCCO1 ZINC000902482469 584624226 /nfs/dbraw/zinc/62/42/26/584624226.db2.gz LPHAMVIOGVLLRU-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487312 584625885 /nfs/dbraw/zinc/62/58/85/584625885.db2.gz SUEQTTJCBZMIQE-GWOFURMSSA-N 1 3 220.320 1.216 20 0 BDADHO Cc1ncccc1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000902514148 584629522 /nfs/dbraw/zinc/62/95/22/584629522.db2.gz RAALDYZRISFGJE-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ncccc1CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000902514148 584629523 /nfs/dbraw/zinc/62/95/23/584629523.db2.gz RAALDYZRISFGJE-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520988 584631548 /nfs/dbraw/zinc/63/15/48/584631548.db2.gz QKOCORGQNJNVGS-IGQOVBAYSA-N 1 3 232.327 1.114 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1COC[C@H]1C1CC1 ZINC000902522032 584631556 /nfs/dbraw/zinc/63/15/56/584631556.db2.gz VKGYCAZZEVZFJD-FSZOTQKASA-N 1 3 212.337 1.127 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1COC[C@H]1C1CC1 ZINC000902522108 584631902 /nfs/dbraw/zinc/63/19/02/584631902.db2.gz WKDCMRFKUZVPPI-CRWXNKLISA-N 1 3 238.375 1.661 20 0 BDADHO C1CC1[C@@H]1COC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902522425 584632035 /nfs/dbraw/zinc/63/20/35/584632035.db2.gz WUXPDPGHYQTGTG-AGIUHOORSA-N 1 3 224.348 1.143 20 0 BDADHO CN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903091108 584725723 /nfs/dbraw/zinc/72/57/23/584725723.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 1 3 249.402 1.438 20 0 BDADHO CN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903091108 584725725 /nfs/dbraw/zinc/72/57/25/584725725.db2.gz NHXWBDDBPQOSBA-YPRXJGMQSA-N 1 3 249.402 1.438 20 0 BDADHO [NH3+]C[C@@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903423400 584764701 /nfs/dbraw/zinc/76/47/01/584764701.db2.gz UTTDZLDCFLVDEP-LBPRGKRZSA-N 1 3 229.327 1.949 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903454396 584773245 /nfs/dbraw/zinc/77/32/45/584773245.db2.gz BIMBVPSJVNRTKE-RWMBFGLXSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)[C@@](C)(CN)[NH2+]Cc1cnn(CCF)c1 ZINC000903718066 584792146 /nfs/dbraw/zinc/79/21/46/584792146.db2.gz YXTZLEMAYCDYOM-GFCCVEGCSA-N 1 3 242.342 1.316 20 0 BDADHO [NH3+]C[C@@H]1CCN(Cc2ccccc2CF)C1 ZINC000903717061 584792158 /nfs/dbraw/zinc/79/21/58/584792158.db2.gz YNWNSPQICOTZGU-NSHDSACASA-N 1 3 222.307 1.937 20 0 BDADHO C[C@H](Cn1cccn1)NC[C@@H]1CCCC[NH2+]C1 ZINC000903760759 584797398 /nfs/dbraw/zinc/79/73/98/584797398.db2.gz YIGSEVSLXFJTHM-CHWSQXEVSA-N 1 3 236.363 1.251 20 0 BDADHO CC1CC(CN2CCCO[C@H](C[NH3+])C2)C1 ZINC000903761594 584797434 /nfs/dbraw/zinc/79/74/34/584797434.db2.gz WWNKAEXLPCPQKJ-HTAVTVPLSA-N 1 3 212.337 1.082 20 0 BDADHO CC1CC(CN2CCCO[C@@H](C[NH3+])C2)C1 ZINC000903761595 584797681 /nfs/dbraw/zinc/79/76/81/584797681.db2.gz WWNKAEXLPCPQKJ-MCIGGMRASA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](O)CN(C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767191 584798013 /nfs/dbraw/zinc/79/80/13/584798013.db2.gz FFNNBRUJRLMCHR-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N(C1CC1)C1CC1 ZINC000903770852 584798604 /nfs/dbraw/zinc/79/86/04/584798604.db2.gz ZLZSJFBOWTXBMB-KGLIPLIRSA-N 1 3 236.359 1.382 20 0 BDADHO CC1(C)C[C@H](O)CN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903778027 584799499 /nfs/dbraw/zinc/79/94/99/584799499.db2.gz IUGZKINHEJKNOG-STQMWFEESA-N 1 3 240.391 1.469 20 0 BDADHO CNCCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903827432 584804828 /nfs/dbraw/zinc/80/48/28/584804828.db2.gz SJKQLFIVSKNMNX-LBPRGKRZSA-N 1 3 228.405 1.813 20 0 BDADHO CNCCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903827432 584804830 /nfs/dbraw/zinc/80/48/30/584804830.db2.gz SJKQLFIVSKNMNX-LBPRGKRZSA-N 1 3 228.405 1.813 20 0 BDADHO C[NH2+]CCCN1CCCSC[C@H]1C1CC1 ZINC000903827432 584804832 /nfs/dbraw/zinc/80/48/32/584804832.db2.gz SJKQLFIVSKNMNX-LBPRGKRZSA-N 1 3 228.405 1.813 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC=CC1)C2 ZINC000903842991 584807781 /nfs/dbraw/zinc/80/77/81/584807781.db2.gz ZYJVMTOJSYOEAQ-XQQFMLRXSA-N 1 3 206.333 1.764 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC=CC1)C2 ZINC000903842991 584807783 /nfs/dbraw/zinc/80/77/83/584807783.db2.gz ZYJVMTOJSYOEAQ-XQQFMLRXSA-N 1 3 206.333 1.764 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CC[C@H]1CCCO1 ZINC000903856547 584809239 /nfs/dbraw/zinc/80/92/39/584809239.db2.gz ABOKYPBBFDCKFI-YNEHKIRRSA-N 1 3 224.348 1.369 20 0 BDADHO C=C/C=C/CCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857859 584809937 /nfs/dbraw/zinc/80/99/37/584809937.db2.gz GCUIXSRGRFDSNN-GFSGRHGLSA-N 1 3 206.333 1.932 20 0 BDADHO CO[C@H](CN1CC[C@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903859847 584810964 /nfs/dbraw/zinc/81/09/64/584810964.db2.gz OZQYDALPEKYYTA-MCIONIFRSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@]12CSC[C@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000903869986 584814648 /nfs/dbraw/zinc/81/46/48/584814648.db2.gz BAARVZCONUCELA-UTUOFQBUSA-N 1 3 226.389 1.281 20 0 BDADHO C[C@H](O)CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000903903779 584821319 /nfs/dbraw/zinc/82/13/19/584821319.db2.gz NBQZBFAWEIDFME-NSHDSACASA-N 1 3 234.343 1.145 20 0 BDADHO CC[C@H](NC[C@H]([NH3+])CC(F)F)[C@H]1CCCO1 ZINC000903923362 584823605 /nfs/dbraw/zinc/82/36/05/584823605.db2.gz RRPCCWOLHVBRSI-KXUCPTDWSA-N 1 3 236.306 1.516 20 0 BDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNCCC1CC1 ZINC000903923514 584823809 /nfs/dbraw/zinc/82/38/09/584823809.db2.gz WBQNYCJYFBUNIZ-GFCCVEGCSA-N 1 3 249.362 1.092 20 0 BDADHO CN(CC[NH2+]C[C@H](N)CC(F)F)C1CCCC1 ZINC000903923440 584823942 /nfs/dbraw/zinc/82/39/42/584823942.db2.gz UJCOHNMWQWABRS-SNVBAGLBSA-N 1 3 249.349 1.433 20 0 BDADHO Cc1cccc(CCNC[C@@H]([NH3+])CC(F)F)n1 ZINC000903928342 584824297 /nfs/dbraw/zinc/82/42/97/584824297.db2.gz XSGRPVOWKDGWTK-JTQLQIEISA-N 1 3 243.301 1.505 20 0 BDADHO CC(C)OCC(C)(C)NC[C@H]([NH3+])CC(F)F ZINC000903929284 584824429 /nfs/dbraw/zinc/82/44/29/584824429.db2.gz DDONSUHMBXWSGT-SECBINFHSA-N 1 3 238.322 1.762 20 0 BDADHO Cc1c(C[C@@H](C[NH3+])CN[C@H]2C=CCC2)cnn1C ZINC000903933316 584825103 /nfs/dbraw/zinc/82/51/03/584825103.db2.gz OVBURYZDIWQIQE-JSGCOSHPSA-N 1 3 248.374 1.154 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@H]([NH3+])CC(F)F ZINC000903932813 584825191 /nfs/dbraw/zinc/82/51/91/584825191.db2.gz WBKNGIMSPXGKBU-VHSXEESVSA-N 1 3 243.301 1.585 20 0 BDADHO NC[C@H]([NH2+]C[C@@H](N)CC(F)F)C1CCCCC1 ZINC000903915868 584827073 /nfs/dbraw/zinc/82/70/73/584827073.db2.gz CQWPDEIUTKUASH-QWRGUYRKSA-N 1 3 249.349 1.466 20 0 BDADHO C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000903973557 584832544 /nfs/dbraw/zinc/83/25/44/584832544.db2.gz GMGAYXIYNCYEJH-LBPRGKRZSA-N 1 3 224.348 1.145 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+][C@@H]2CNC[C@H]2C)CCO1 ZINC000903963714 584833464 /nfs/dbraw/zinc/83/34/64/584833464.db2.gz GQBSOCMSMBEXFO-FVCCEPFGSA-N 1 3 226.364 1.389 20 0 BDADHO Cc1ccc(CCCNC[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000903967471 584835193 /nfs/dbraw/zinc/83/51/93/584835193.db2.gz JRVCYRARCYRBIG-IUODEOHRSA-N 1 3 247.386 1.768 20 0 BDADHO CC(C)[N@H+](CCO)C[C@@H](N)CCC(C)(C)C ZINC000904304215 584862150 /nfs/dbraw/zinc/86/21/50/584862150.db2.gz VTQDRDVWPNUOIC-LBPRGKRZSA-N 1 3 230.396 1.843 20 0 BDADHO CC(C)[N@@H+](CCO)C[C@@H](N)CCC(C)(C)C ZINC000904304215 584862151 /nfs/dbraw/zinc/86/21/51/584862151.db2.gz VTQDRDVWPNUOIC-LBPRGKRZSA-N 1 3 230.396 1.843 20 0 BDADHO C[C@]1(CN2CCC[C@@H](CCO)C2)CCC[NH2+]C1 ZINC000904318522 584864002 /nfs/dbraw/zinc/86/40/02/584864002.db2.gz RNQDCBZHEBPHHV-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@]1(C[N@@H+]2CCC[C@@H](CCO)C2)CCCNC1 ZINC000904318522 584864003 /nfs/dbraw/zinc/86/40/03/584864003.db2.gz RNQDCBZHEBPHHV-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@]1(C[N@H+]2CCC[C@@H](CCO)C2)CCCNC1 ZINC000904318522 584864005 /nfs/dbraw/zinc/86/40/05/584864005.db2.gz RNQDCBZHEBPHHV-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@]1(CN2CCC[C@H](CCO)C2)CCC[NH2+]C1 ZINC000904318523 584864185 /nfs/dbraw/zinc/86/41/85/584864185.db2.gz RNQDCBZHEBPHHV-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@]1(C[N@@H+]2CCC[C@H](CCO)C2)CCCNC1 ZINC000904318523 584864186 /nfs/dbraw/zinc/86/41/86/584864186.db2.gz RNQDCBZHEBPHHV-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@]1(C[N@H+]2CCC[C@H](CCO)C2)CCCNC1 ZINC000904318523 584864187 /nfs/dbraw/zinc/86/41/87/584864187.db2.gz RNQDCBZHEBPHHV-KGLIPLIRSA-N 1 3 240.391 1.471 20 0 BDADHO CN(C[C@@H]1CCC[C@H]1O)C[C@]1(C)CCC[NH2+]C1 ZINC000904329504 584866194 /nfs/dbraw/zinc/86/61/94/584866194.db2.gz ZVRCOBFAWGCDIL-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@]1(C)CCCNC1 ZINC000904329504 584866195 /nfs/dbraw/zinc/86/61/95/584866195.db2.gz ZVRCOBFAWGCDIL-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCC[C@H]1O)C[C@]1(C)CCCNC1 ZINC000904329504 584866196 /nfs/dbraw/zinc/86/61/96/584866196.db2.gz ZVRCOBFAWGCDIL-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO CCc1noc(CC)c1CNC1CC(C[NH3+])C1 ZINC000904364307 584874359 /nfs/dbraw/zinc/87/43/59/584874359.db2.gz URDKJHCYTPJQCF-UHFFFAOYSA-N 1 3 237.347 1.626 20 0 BDADHO CC(C)(C)CC[C@H]([NH3+])CNCCn1ccnc1 ZINC000904363751 584874556 /nfs/dbraw/zinc/87/45/56/584874556.db2.gz BRJYMVQZSLVKQU-LBPRGKRZSA-N 1 3 238.379 1.626 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+][C@]12C[C@H]1COC2 ZINC000904385890 584877892 /nfs/dbraw/zinc/87/78/92/584877892.db2.gz IZUUPXOIRDFVRX-LOWVWBTDSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H]1CN(CC2(F)CC2)CC[C@@H]1C[NH3+] ZINC000904409743 584879282 /nfs/dbraw/zinc/87/92/82/584879282.db2.gz HMDWKTTZKSMIMH-NXEZZACHSA-N 1 3 200.301 1.405 20 0 BDADHO Cc1nn(C)cc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412179 584879594 /nfs/dbraw/zinc/87/95/94/584879594.db2.gz RUTMRIOKRARMCU-PWSUYJOCSA-N 1 3 236.363 1.145 20 0 BDADHO CC[C@@H]1C[C@@H](CN2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000904415553 584880484 /nfs/dbraw/zinc/88/04/84/584880484.db2.gz RESPPVNJCSEIKK-YVECIDJPSA-N 1 3 226.364 1.471 20 0 BDADHO Cc1cc(CNCCOCC[NH+](C)C)c(C)o1 ZINC000788069643 584974921 /nfs/dbraw/zinc/97/49/21/584974921.db2.gz BNDCKMRIEVGMDT-UHFFFAOYSA-N 1 3 240.347 1.564 20 0 BDADHO CC[C@H](NCCN1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914159 584991233 /nfs/dbraw/zinc/99/12/33/584991233.db2.gz UKRBKMCJWHDPAS-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838859183 585075717 /nfs/dbraw/zinc/07/57/17/585075717.db2.gz DGCOSJJRXHWWJZ-TZMCWYRMSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838859183 585075718 /nfs/dbraw/zinc/07/57/18/585075718.db2.gz DGCOSJJRXHWWJZ-TZMCWYRMSA-N 1 3 240.391 1.421 20 0 BDADHO CC(=O)CC[N@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000746666901 585172138 /nfs/dbraw/zinc/17/21/38/585172138.db2.gz DBRMDECNINLFNQ-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CC(=O)CC[N@@H+]1CC[C@@H](CN(C)CC2CC2)C1 ZINC000746666901 585172139 /nfs/dbraw/zinc/17/21/39/585172139.db2.gz DBRMDECNINLFNQ-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@](C[NH3+])(NC[C@H]1CC[C@H](C2CC2)O1)C1CC1 ZINC000886829912 585180575 /nfs/dbraw/zinc/18/05/75/585180575.db2.gz JEJLXJPFUAWUQI-MGPQQGTHSA-N 1 3 238.375 1.661 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)[C@H](C)C1 ZINC000755068635 585294174 /nfs/dbraw/zinc/29/41/74/585294174.db2.gz XRUYMPRZWWPKCQ-CYBMUJFWSA-N 1 3 227.396 1.354 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@H]2C[C@@H]21 ZINC000761088068 585407853 /nfs/dbraw/zinc/40/78/53/585407853.db2.gz QAKDCBDRWMCDML-UPJWGTAASA-N 1 3 208.349 1.955 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2C[C@@H]21 ZINC000761088068 585407854 /nfs/dbraw/zinc/40/78/54/585407854.db2.gz QAKDCBDRWMCDML-UPJWGTAASA-N 1 3 208.349 1.955 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)CCO ZINC000779342980 585751745 /nfs/dbraw/zinc/75/17/45/585751745.db2.gz QDZYSLIDSADVST-LLVKDONJSA-N 1 3 202.342 1.077 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@H](C)CCO ZINC000779342980 585751746 /nfs/dbraw/zinc/75/17/46/585751746.db2.gz QDZYSLIDSADVST-LLVKDONJSA-N 1 3 202.342 1.077 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@H](C)CCO ZINC000779342980 585751747 /nfs/dbraw/zinc/75/17/47/585751747.db2.gz QDZYSLIDSADVST-LLVKDONJSA-N 1 3 202.342 1.077 20 0 BDADHO C[C@@H]1CC[C@@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000783213105 585831059 /nfs/dbraw/zinc/83/10/59/585831059.db2.gz UPGNTJCOMFVRBG-OCCSQVGLSA-N 1 3 239.407 1.401 20 0 BDADHO CC[C@@](C)(CC(=O)OC)NC[C@H]1CCC[NH2+]C1 ZINC000843069833 585943789 /nfs/dbraw/zinc/94/37/89/585943789.db2.gz STCHYEOAALNZCV-AAEUAGOBSA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CCCNC1 ZINC000843069833 585943790 /nfs/dbraw/zinc/94/37/90/585943790.db2.gz STCHYEOAALNZCV-AAEUAGOBSA-N 1 3 242.363 1.307 20 0 BDADHO CCOC1CC[NH+](CC2CCN(C)CC2)CC1 ZINC000790081239 585957711 /nfs/dbraw/zinc/95/77/11/585957711.db2.gz WYTTWNNMLADDGI-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CC(=O)OC[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000798179439 586138633 /nfs/dbraw/zinc/13/86/33/586138633.db2.gz ALPDKCJNIZPBGM-JTQLQIEISA-N 1 3 240.347 1.154 20 0 BDADHO CN(CCCCCCO)CCC[NH+]1CCCC1 ZINC000799174661 586164716 /nfs/dbraw/zinc/16/47/16/586164716.db2.gz QLLQGELWYJSNMF-UHFFFAOYSA-N 1 3 242.407 1.957 20 0 BDADHO Cc1cc(NCCCC[N@@H+](C)C2CC2)nc(N)n1 ZINC000840316671 586620890 /nfs/dbraw/zinc/62/08/90/586620890.db2.gz RNJUXDDCTMXLQG-UHFFFAOYSA-N 1 3 249.362 1.654 20 0 BDADHO Cc1cc(NCCCC[N@H+](C)C2CC2)nc(N)n1 ZINC000840316671 586620891 /nfs/dbraw/zinc/62/08/91/586620891.db2.gz RNJUXDDCTMXLQG-UHFFFAOYSA-N 1 3 249.362 1.654 20 0 BDADHO Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000817891823 586832511 /nfs/dbraw/zinc/83/25/11/586832511.db2.gz HOUIESMCOILDPX-HZSPNIEDSA-N 1 3 234.343 1.498 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1cccnc1 ZINC000817892247 586833050 /nfs/dbraw/zinc/83/30/50/586833050.db2.gz LRECDKHXWIZDHY-WCQYABFASA-N 1 3 235.331 1.177 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817892209 586833182 /nfs/dbraw/zinc/83/31/82/586833182.db2.gz KHCJXEGVNGCJLB-SOUVJXGZSA-N 1 3 248.370 1.745 20 0 BDADHO CSCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)N ZINC000817894117 586834007 /nfs/dbraw/zinc/83/40/07/586834007.db2.gz BRHJXSWVENREKN-UTLUCORTSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1cccnc1 ZINC000817893301 586834303 /nfs/dbraw/zinc/83/43/03/586834303.db2.gz QZUFORTWCCKWSJ-JSGCOSHPSA-N 1 3 249.358 1.438 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCNc1ccccc1 ZINC000817901956 586835952 /nfs/dbraw/zinc/83/59/52/586835952.db2.gz ZXHWQUMTVHPZMX-TZMCWYRMSA-N 1 3 233.359 1.816 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901956 586835954 /nfs/dbraw/zinc/83/59/54/586835954.db2.gz ZXHWQUMTVHPZMX-TZMCWYRMSA-N 1 3 233.359 1.816 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCNc1ccccc1 ZINC000817901756 586835957 /nfs/dbraw/zinc/83/59/57/586835957.db2.gz YEKUEJXOKBVWAC-RYUDHWBXSA-N 1 3 221.348 1.814 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901477 586836393 /nfs/dbraw/zinc/83/63/93/586836393.db2.gz WJSJJCPPFBXZBD-QWHCGFSZSA-N 1 3 219.332 1.568 20 0 BDADHO Cc1cccc([C@H](O)CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000817909970 586838025 /nfs/dbraw/zinc/83/80/25/586838025.db2.gz FSGIDGNKZCWQTF-OUCADQQQSA-N 1 3 236.359 1.744 20 0 BDADHO Cc1ncc(CC[NH2+][C@@H]2CCC[C@@H]2CN)s1 ZINC000817916403 586839197 /nfs/dbraw/zinc/83/91/97/586839197.db2.gz XYLKDCZSWSOQBU-ZYHUDNBSSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncc(CCN[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000817916403 586839200 /nfs/dbraw/zinc/83/92/00/586839200.db2.gz XYLKDCZSWSOQBU-ZYHUDNBSSA-N 1 3 239.388 1.711 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@H](O)c1ccc(F)cc1 ZINC000817926921 586841362 /nfs/dbraw/zinc/84/13/62/586841362.db2.gz WTZQFJKOPBZGBH-BREBYQMCSA-N 1 3 240.322 1.575 20 0 BDADHO CCNCCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000817943493 586846463 /nfs/dbraw/zinc/84/64/63/586846463.db2.gz PADHEQNKXGWKDJ-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO CC(C)(C[NH2+]C[C@H](O)C1CC1)CN1CCCC1 ZINC000819260501 586945023 /nfs/dbraw/zinc/94/50/23/586945023.db2.gz UAOUSQLGMQPDJU-ZDUSSCGKSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)(CNC[C@H](O)C1CC1)C[NH+]1CCCC1 ZINC000819260501 586945024 /nfs/dbraw/zinc/94/50/24/586945024.db2.gz UAOUSQLGMQPDJU-ZDUSSCGKSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](NC1CC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000832223764 587651591 /nfs/dbraw/zinc/65/15/91/587651591.db2.gz VDXIDLAXZIMCHG-SECBINFHSA-N 1 3 233.315 1.224 20 0 BDADHO CCCCCCN(C)CC(=O)NC[C@@H]([NH3+])CC ZINC000834826240 587767972 /nfs/dbraw/zinc/76/79/72/587767972.db2.gz KWFBJQVIXOOQPQ-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841035649 587938047 /nfs/dbraw/zinc/93/80/47/587938047.db2.gz LLJURNODLDVLSF-ZRUFSTJUSA-N 1 3 246.445 1.693 20 0 BDADHO CCNCC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000841845558 587977124 /nfs/dbraw/zinc/97/71/24/587977124.db2.gz DHBCYMMXQNKROC-UHFFFAOYSA-N 1 3 235.331 1.344 20 0 BDADHO CC(C)[NH2+]CCCNC(=O)c1cccc(CN)c1 ZINC000841847733 587977154 /nfs/dbraw/zinc/97/71/54/587977154.db2.gz IZTZAYNUEMUHFV-UHFFFAOYSA-N 1 3 249.358 1.263 20 0 BDADHO C[C@H]1C(=O)NCCCN1CCCCCCC[NH3+] ZINC000842475715 588030083 /nfs/dbraw/zinc/03/00/83/588030083.db2.gz BFTVKJZPQICBIB-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO CCCCOC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362619 588104236 /nfs/dbraw/zinc/10/42/36/588104236.db2.gz LENQZZPCENNHAH-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CC[NH2+]CC(=O)N(CCN(C)C)c1ccccc1 ZINC000844177545 588171847 /nfs/dbraw/zinc/17/18/47/588171847.db2.gz DAHZIBCIJSJDML-UHFFFAOYSA-N 1 3 249.358 1.191 20 0 BDADHO CN(CCCCCCC[NH3+])Cc1cn[nH]c1 ZINC000844221766 588174228 /nfs/dbraw/zinc/17/42/28/588174228.db2.gz JYRVJKVGGDKFDO-UHFFFAOYSA-N 1 3 224.352 1.751 20 0 BDADHO CNC[C@](C)(O)C[NH+]1CCCCCCC1 ZINC000846217715 588260295 /nfs/dbraw/zinc/26/02/95/588260295.db2.gz MWTDXXRNUWYKIE-LBPRGKRZSA-N 1 3 214.353 1.223 20 0 BDADHO COC[C@H]1CN(CCCCCC[NH3+])C[C@H](C)O1 ZINC000846221379 588261329 /nfs/dbraw/zinc/26/13/29/588261329.db2.gz XYJKQAHLMLNVLG-QWHCGFSZSA-N 1 3 244.379 1.241 20 0 BDADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCF)C1 ZINC000846227762 588261905 /nfs/dbraw/zinc/26/19/05/588261905.db2.gz HDUNOFSXQZXOKI-WOPDTQHZSA-N 1 3 230.327 1.317 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)c2ccco2)C1 ZINC000848719989 588408230 /nfs/dbraw/zinc/40/82/30/588408230.db2.gz QJIQOFGLEJXJLG-GMTAPVOTSA-N 1 3 224.304 1.173 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848719697 588408273 /nfs/dbraw/zinc/40/82/73/588408273.db2.gz CTQMLTMKKZCVFL-ZGKBOVNRSA-N 1 3 248.370 1.968 20 0 BDADHO C[C@H](CNC(=[NH2+])Nc1ccccn1)N1CCCC1 ZINC000848986699 588425899 /nfs/dbraw/zinc/42/58/99/588425899.db2.gz VQHBOJQBLZWNHM-LLVKDONJSA-N 1 3 247.346 1.502 20 0 BDADHO CC(C)NC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000848987024 588426113 /nfs/dbraw/zinc/42/61/13/588426113.db2.gz GIFSMUSIVZLZDY-NWDGAFQWSA-N 1 3 240.395 1.772 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)CN(C)C ZINC000849029997 588442279 /nfs/dbraw/zinc/44/22/79/588442279.db2.gz CFROLKQEWHFILO-NEPJUHHUSA-N 1 3 240.395 1.440 20 0 BDADHO C[C@@H](C[NH2+]C1CC(CF)(CF)C1)CN(C)C ZINC000850472451 588548799 /nfs/dbraw/zinc/54/87/99/588548799.db2.gz ZCAAZCZTYZRHRK-JTQLQIEISA-N 1 3 234.334 1.862 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000863482081 589292661 /nfs/dbraw/zinc/29/26/61/589292661.db2.gz RPVSJLPPUJFTSJ-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+][C@@H]2CCN[C@H]2C)CCO1 ZINC000863486625 589293143 /nfs/dbraw/zinc/29/31/43/589293143.db2.gz BISCXHXFCKUFSF-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC000863484015 589293454 /nfs/dbraw/zinc/29/34/54/589293454.db2.gz GKMIVWRBORKBAP-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO CCC(CC)NC(=[NH2+])NCC(C)(C)CN(C)C ZINC000864453366 589365517 /nfs/dbraw/zinc/36/55/17/589365517.db2.gz YXOSYBVDXOURCE-UHFFFAOYSA-N 1 3 242.411 1.877 20 0 BDADHO CC[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)N1CCCC1 ZINC000864453205 589365621 /nfs/dbraw/zinc/36/56/21/589365621.db2.gz LJQBACSPIJFOPF-IJLUTSLNSA-N 1 3 238.379 1.383 20 0 BDADHO Cc1nccnc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000866660117 589508083 /nfs/dbraw/zinc/50/80/83/589508083.db2.gz FPTIFPXTOYFSFK-UHFFFAOYSA-N 1 3 246.358 1.361 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](CN)C1 ZINC000866658841 589508153 /nfs/dbraw/zinc/50/81/53/589508153.db2.gz BKMKCURKOVVUPA-SRVKXCTJSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](CN)C1 ZINC000866658841 589508155 /nfs/dbraw/zinc/50/81/55/589508155.db2.gz BKMKCURKOVVUPA-SRVKXCTJSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@H](CN1CC[NH2+]CCC1(C)C)C1CCC1 ZINC000866697710 589512561 /nfs/dbraw/zinc/51/25/61/589512561.db2.gz WHRFYIPKZGQJSP-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cncc([C@H]2CCCN2CCOCC[NH3+])c1 ZINC000866719807 589515172 /nfs/dbraw/zinc/51/51/72/589515172.db2.gz DJZLOSUOLNTCMT-CQSZACIVSA-N 1 3 249.358 1.502 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141870 589882158 /nfs/dbraw/zinc/88/21/58/589882158.db2.gz XJHWUSKGPVEATO-OLZOCXBDSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872144441 589884297 /nfs/dbraw/zinc/88/42/97/589884297.db2.gz ZBOHKZGUIPWBBQ-AVGNSLFASA-N 1 3 238.375 1.615 20 0 BDADHO COC(=O)CC[C@@H]1CCCN(CCC[NH3+])C1 ZINC000872154809 589886066 /nfs/dbraw/zinc/88/60/66/589886066.db2.gz ZDZVITBMZWQFCG-NSHDSACASA-N 1 3 228.336 1.000 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H](CCC(=O)OC)C1 ZINC000872154244 589886405 /nfs/dbraw/zinc/88/64/05/589886405.db2.gz OWFNFUPLDMHTEG-LBPRGKRZSA-N 1 3 242.363 1.261 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000872253015 589900732 /nfs/dbraw/zinc/90/07/32/589900732.db2.gz YOHHKWZKJDHUOJ-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000872253882 589901437 /nfs/dbraw/zinc/90/14/37/589901437.db2.gz LRUMXUDRYJLDON-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@]12CCC[C@H]1OCC2 ZINC000872315057 589909903 /nfs/dbraw/zinc/90/99/03/589909903.db2.gz LCXLLFUEPIANGF-MJBXVCDLSA-N 1 3 238.375 1.772 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@]12CCC[C@H]1OCC2 ZINC000872315057 589909904 /nfs/dbraw/zinc/90/99/04/589909904.db2.gz LCXLLFUEPIANGF-MJBXVCDLSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237563 590003726 /nfs/dbraw/zinc/00/37/26/590003726.db2.gz QYXAOSVTMRVCDE-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873250454 590008501 /nfs/dbraw/zinc/00/85/01/590008501.db2.gz RFZBIQIYBAHWSX-XQQFMLRXSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1cc([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)no1 ZINC000873254956 590010207 /nfs/dbraw/zinc/01/02/07/590010207.db2.gz CGPMQLSZBGMOBE-GUBZILKMSA-N 1 3 209.293 1.371 20 0 BDADHO C[C@@H](N[C@H](C)C1CC[NH2+]CC1)c1ccn(C)n1 ZINC000873270028 590016262 /nfs/dbraw/zinc/01/62/62/590016262.db2.gz OEQZJXNQAHTCPU-GHMZBOCLSA-N 1 3 236.363 1.459 20 0 BDADHO COCC(C)(C)CC[NH2+][C@H](C)C[C@H](C)N ZINC000873281291 590018523 /nfs/dbraw/zinc/01/85/23/590018523.db2.gz HLCHYKHPSGHEMJ-WDEREUQCSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CC(C)(C)CO1 ZINC000873281628 590018535 /nfs/dbraw/zinc/01/85/35/590018535.db2.gz NHCCDUQNOZOFRN-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873281628 590018537 /nfs/dbraw/zinc/01/85/37/590018537.db2.gz NHCCDUQNOZOFRN-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873281201 590018555 /nfs/dbraw/zinc/01/85/55/590018555.db2.gz HBNJYUIGONKYPF-IKOXMDCHSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1C[C@H](O)C1 ZINC000873297303 590025156 /nfs/dbraw/zinc/02/51/56/590025156.db2.gz VYBJOPOJFOHHOG-CYUUQNCZSA-N 1 3 248.370 1.305 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000877743780 590411797 /nfs/dbraw/zinc/41/17/97/590411797.db2.gz YGSSTQGRIFIXCK-MGPQQGTHSA-N 1 3 236.359 1.705 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CC[C@H]21 ZINC000877743780 590411799 /nfs/dbraw/zinc/41/17/99/590411799.db2.gz YGSSTQGRIFIXCK-MGPQQGTHSA-N 1 3 236.359 1.705 20 0 BDADHO CC(C)[C@H](O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000878511717 590583603 /nfs/dbraw/zinc/58/36/03/590583603.db2.gz HFMYXXPEBZRTOZ-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000878511717 590583606 /nfs/dbraw/zinc/58/36/06/590583606.db2.gz HFMYXXPEBZRTOZ-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000878511717 590583607 /nfs/dbraw/zinc/58/36/07/590583607.db2.gz HFMYXXPEBZRTOZ-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@H](O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000878511715 590584091 /nfs/dbraw/zinc/58/40/91/590584091.db2.gz HFMYXXPEBZRTOZ-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@H](O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000878511715 590584092 /nfs/dbraw/zinc/58/40/92/590584092.db2.gz HFMYXXPEBZRTOZ-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@H](O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000878511715 590584093 /nfs/dbraw/zinc/58/40/93/590584093.db2.gz HFMYXXPEBZRTOZ-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@H](O)CC[N@H+](C)CCCN1CCCC1 ZINC000878549157 590591004 /nfs/dbraw/zinc/59/10/04/590591004.db2.gz BPPKKFJMOXKMRW-AWEZNQCLSA-N 1 3 242.407 1.811 20 0 BDADHO CC(C)[C@@H](O)CC[N@@H+](C)CCCN1CCCC1 ZINC000878549157 590591006 /nfs/dbraw/zinc/59/10/06/590591006.db2.gz BPPKKFJMOXKMRW-AWEZNQCLSA-N 1 3 242.407 1.811 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21 ZINC000879572878 590800030 /nfs/dbraw/zinc/80/00/30/590800030.db2.gz KDMKFIIDQYQIMT-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21 ZINC000879572878 590800027 /nfs/dbraw/zinc/80/00/27/590800027.db2.gz KDMKFIIDQYQIMT-OLZOCXBDSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000879577549 590813584 /nfs/dbraw/zinc/81/35/84/590813584.db2.gz YANASPRHYZRBCW-GHMZBOCLSA-N 1 3 200.301 1.372 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000879577549 590813585 /nfs/dbraw/zinc/81/35/85/590813585.db2.gz YANASPRHYZRBCW-GHMZBOCLSA-N 1 3 200.301 1.372 20 0 BDADHO Cc1nn(C)cc1CN(C)C1CCC([NH3+])CC1 ZINC000128275295 590955909 /nfs/dbraw/zinc/95/59/09/590955909.db2.gz NJOUGZDUBBUNII-UHFFFAOYSA-N 1 3 236.363 1.430 20 0 BDADHO CN1CCC[C@@H]1CC[NH+]1CCC(F)CC1 ZINC000880239918 590972562 /nfs/dbraw/zinc/97/25/62/590972562.db2.gz KAMOJNJOOAVWHZ-GFCCVEGCSA-N 1 3 214.328 1.905 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000131112363 591554686 /nfs/dbraw/zinc/55/46/86/591554686.db2.gz ROSPFJYZWWZHMW-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO C=C/C=C\CC[NH+]1CCC(NCCOC)CC1 ZINC000883434505 591664367 /nfs/dbraw/zinc/66/43/67/591664367.db2.gz TZENNFAZSORRDO-PLNGDYQASA-N 1 3 238.375 1.819 20 0 BDADHO NCCC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462046 591673480 /nfs/dbraw/zinc/67/34/80/591673480.db2.gz IWLZUNSVYCTBDS-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO NCCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000883462046 591673483 /nfs/dbraw/zinc/67/34/83/591673483.db2.gz IWLZUNSVYCTBDS-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000132146413 591690396 /nfs/dbraw/zinc/69/03/96/591690396.db2.gz KFRXGCVVRHRXAS-IHRRRGAJSA-N 1 3 234.343 1.882 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@H](O)CC2CCCC2)C1 ZINC000299995818 634405368 /nfs/dbraw/zinc/40/53/68/634405368.db2.gz MTADJXULERDSCG-CHWSQXEVSA-N 1 3 226.364 1.208 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925715651 634443170 /nfs/dbraw/zinc/44/31/70/634443170.db2.gz GNKVQDSUTSPEIS-QNWHQSFQSA-N 1 3 226.364 1.389 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257697479 634470341 /nfs/dbraw/zinc/47/03/41/634470341.db2.gz PDWQJIFTQFDFOB-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257697479 634470349 /nfs/dbraw/zinc/47/03/49/634470349.db2.gz PDWQJIFTQFDFOB-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO Cc1cn(C)nc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257715736 634479323 /nfs/dbraw/zinc/47/93/23/634479323.db2.gz UTSUBILOEVAQLZ-UHFFFAOYSA-N 1 3 248.374 1.304 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000310114985 634572325 /nfs/dbraw/zinc/57/23/25/634572325.db2.gz GUOAIZZYZHCLAY-IHRRRGAJSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000310114985 634572332 /nfs/dbraw/zinc/57/23/32/634572332.db2.gz GUOAIZZYZHCLAY-IHRRRGAJSA-N 1 3 238.375 1.474 20 0 BDADHO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCO1 ZINC000925839864 635503400 /nfs/dbraw/zinc/50/34/00/635503400.db2.gz FCRAHJDAGJOHFG-IGQOVBAYSA-N 1 3 238.375 1.676 20 0 BDADHO COC[C@@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000234696340 631663952 /nfs/dbraw/zinc/66/39/52/631663952.db2.gz YOOAFENGWDBCRT-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CN(C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C ZINC000309056608 631833217 /nfs/dbraw/zinc/83/32/17/631833217.db2.gz PURBFGXJFOPDGH-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H](C)CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056710 632629605 /nfs/dbraw/zinc/62/96/05/632629605.db2.gz ZMYCQXJMJYRZQZ-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO C1=CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328419646 633762360 /nfs/dbraw/zinc/76/23/60/633762360.db2.gz JLVCWLXIKADBDM-GXYBRJDSSA-N 1 3 232.371 1.929 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925509917 633849034 /nfs/dbraw/zinc/84/90/34/633849034.db2.gz PVMWKUDOETYUTQ-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO CC1(C)[C@@H](NCCn2ccnc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925510815 633850374 /nfs/dbraw/zinc/85/03/74/633850374.db2.gz ZQJSGGNNVDYIDR-AGIUHOORSA-N 1 3 248.374 1.249 20 0 BDADHO C[C@H](NC(CN)C[NH3+])c1ccc(Cl)cc1 ZINC000309393814 633907863 /nfs/dbraw/zinc/90/78/63/633907863.db2.gz GHODZKCMAKUMKU-QMMMGPOBSA-N 1 3 227.739 1.277 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)COC(C)C)C1 ZINC000309955501 633978962 /nfs/dbraw/zinc/97/89/62/633978962.db2.gz IBIHXAOATKLVJS-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CN1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925565757 634058937 /nfs/dbraw/zinc/05/89/37/634058937.db2.gz XSXYQKCQQUIVHM-QWHCGFSZSA-N 1 3 237.391 1.345 20 0 BDADHO C[C@H](CN[C@H]1CC[NH2+]C1(C)C)N1CCCCC1 ZINC000925613540 634153703 /nfs/dbraw/zinc/15/37/03/634153703.db2.gz RYPXOVYMYZTQRT-OLZOCXBDSA-N 1 3 239.407 1.591 20 0 BDADHO COCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000925688102 634305591 /nfs/dbraw/zinc/30/55/91/634305591.db2.gz BOGFDOQPZZXFSD-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO COCC(COC)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925692491 634325149 /nfs/dbraw/zinc/32/51/49/634325149.db2.gz QJIBRYXSEBVRDT-QWRGUYRKSA-N 1 3 244.379 1.143 20 0 BDADHO CC(C)[C@@H]1C[C@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925696695 634355740 /nfs/dbraw/zinc/35/57/40/634355740.db2.gz YEQXSKQTAQBBSK-YQFOFLOKSA-N 1 3 234.387 1.865 20 0 BDADHO C1CO[C@@]2(C1)CCC[C@@H]2[NH2+]C1CCNCC1 ZINC000925772904 635218998 /nfs/dbraw/zinc/21/89/98/635218998.db2.gz LHCMLEIVEQYRQQ-QWHCGFSZSA-N 1 3 224.348 1.430 20 0 BDADHO CN(C)c1ccnc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000925813489 635373814 /nfs/dbraw/zinc/37/38/14/635373814.db2.gz UIMMVJVNXVIIIO-FZMZJTMJSA-N 1 3 248.374 1.365 20 0 BDADHO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(N)n1 ZINC000227497918 635450556 /nfs/dbraw/zinc/45/05/56/635450556.db2.gz YMNBTYAMECPSPR-UWVGGRQHSA-N 1 3 235.335 1.262 20 0 BDADHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N)n1 ZINC000227497918 635450564 /nfs/dbraw/zinc/45/05/64/635450564.db2.gz YMNBTYAMECPSPR-UWVGGRQHSA-N 1 3 235.335 1.262 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CCO ZINC000925184653 636361927 /nfs/dbraw/zinc/36/19/27/636361927.db2.gz DOSMHXYIWQDZOF-FUNVUKJBSA-N 1 3 240.391 1.325 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccncc1 ZINC000925279781 636706012 /nfs/dbraw/zinc/70/60/12/636706012.db2.gz QNUNTOVHHXIGIT-YIONKMFJSA-N 1 3 245.370 1.554 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000088169839 636897101 /nfs/dbraw/zinc/89/71/01/636897101.db2.gz YQIUCTPMCLRTPT-GVXVVHGQSA-N 1 3 219.332 1.860 20 0 BDADHO CC1(C)C[C@@H](O)CN(C[C@H]2CCC[NH2+]C2)C1 ZINC000866704327 636933803 /nfs/dbraw/zinc/93/38/03/636933803.db2.gz SSVYOGQFPQVMEW-NWDGAFQWSA-N 1 3 226.364 1.079 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704248 637013037 /nfs/dbraw/zinc/01/30/37/637013037.db2.gz CDSPJNFJYRBPCI-RYUDHWBXSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704248 637013039 /nfs/dbraw/zinc/01/30/39/637013039.db2.gz CDSPJNFJYRBPCI-RYUDHWBXSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704248 637013043 /nfs/dbraw/zinc/01/30/43/637013043.db2.gz CDSPJNFJYRBPCI-RYUDHWBXSA-N 1 3 249.358 1.780 20 0 BDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCCO1 ZINC000054602361 637035964 /nfs/dbraw/zinc/03/59/64/637035964.db2.gz DPKIPJBIFBQZDN-GSPSYOTPSA-N 1 3 238.375 1.900 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H](O)C1CC1 ZINC000903412042 637359325 /nfs/dbraw/zinc/35/93/25/637359325.db2.gz RXGGECQKXSFZCD-WJLOJVBCSA-N 1 3 238.375 1.077 20 0 BDADHO CSCC(C)(C)NC[C@@H]([NH3+])CC(F)F ZINC000904477414 637428330 /nfs/dbraw/zinc/42/83/30/637428330.db2.gz VTEDNIBIMXQCNC-ZETCQYMHSA-N 1 3 226.336 1.700 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649883 639707473 /nfs/dbraw/zinc/70/74/73/639707473.db2.gz WWIILZKQJXFZNR-GWCFXTLKSA-N 1 3 249.358 1.847 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911722405 639744828 /nfs/dbraw/zinc/74/48/28/639744828.db2.gz ROHWDKYAIUTFCC-SDDRHHMPSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000911800843 639822154 /nfs/dbraw/zinc/82/21/54/639822154.db2.gz VETQVHGGAFGPFX-QWRGUYRKSA-N 1 3 241.379 1.138 20 0 BDADHO COC[C@H](C)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312725 640147189 /nfs/dbraw/zinc/14/71/89/640147189.db2.gz YVCKSSFLFOAMOV-AVGNSLFASA-N 1 3 226.364 1.295 20 0 BDADHO C[NH+]1C[C@@]2(C)CN(CC3(C)COC3)C[C@]2(C)C1 ZINC000931312426 640147406 /nfs/dbraw/zinc/14/74/06/640147406.db2.gz XLJYRZCTLLIITD-KBPBESRZSA-N 1 3 238.375 1.297 20 0 BDADHO CC[C@H](CO)NCCC[NH+](CC)CC ZINC000931772844 640364631 /nfs/dbraw/zinc/36/46/31/640364631.db2.gz CKCIRXDSDHTXSP-LLVKDONJSA-N 1 3 202.342 1.079 20 0 BDADHO CC[C@H](CO)[NH2+]CCCN(CC)CC ZINC000931772844 640364640 /nfs/dbraw/zinc/36/46/40/640364640.db2.gz CKCIRXDSDHTXSP-LLVKDONJSA-N 1 3 202.342 1.079 20 0 BDADHO C[C@H]1CC[N@H+](CC[C@H]2CCCCN2C)CCO1 ZINC000932348975 640490882 /nfs/dbraw/zinc/49/08/82/640490882.db2.gz CWLZMKAEWZITGZ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H]1CC[N@@H+](CC[C@H]2CCCCN2C)CCO1 ZINC000932348975 640490888 /nfs/dbraw/zinc/49/08/88/640490888.db2.gz CWLZMKAEWZITGZ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227541446 640839058 /nfs/dbraw/zinc/83/90/58/640839058.db2.gz KFRXGCVVRHRXAS-RDBSUJKOSA-N 1 3 234.343 1.882 20 0 BDADHO Cn1nccc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000231035316 641128016 /nfs/dbraw/zinc/12/80/16/641128016.db2.gz MMPSGKNJRDOAKP-TZMCWYRMSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1nccc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231035316 641128019 /nfs/dbraw/zinc/12/80/19/641128019.db2.gz MMPSGKNJRDOAKP-TZMCWYRMSA-N 1 3 248.374 1.179 20 0 BDADHO C[NH+]1CCC(CNCc2ccno2)CC1 ZINC000231885046 641212661 /nfs/dbraw/zinc/21/26/61/641212661.db2.gz JWHNGTCQHCAGLL-UHFFFAOYSA-N 1 3 209.293 1.106 20 0 BDADHO CN(CCC[NH3+])C[C@@H](O)CC1CCCC1 ZINC000232148806 641248557 /nfs/dbraw/zinc/24/85/57/641248557.db2.gz NFNUGZYOSVYTMP-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO C(NC[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000232451937 641272330 /nfs/dbraw/zinc/27/23/30/641272330.db2.gz PFCIOJIGUTVZLG-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000233952514 642713397 /nfs/dbraw/zinc/71/33/97/642713397.db2.gz UZBAYJJIHPXVFN-GRYCIOLGSA-N 1 3 228.405 1.669 20 0 BDADHO CCN1CC[C@H]([NH2+]CC2(C)OCCO2)[C@H](C)C1 ZINC000179567352 642729465 /nfs/dbraw/zinc/72/94/65/642729465.db2.gz WNTLGBRHQVUBCP-NEPJUHHUSA-N 1 3 242.363 1.069 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000084218015 643651128 /nfs/dbraw/zinc/65/11/28/643651128.db2.gz GUFDBIKPXNLDRX-CYZMBNFOSA-N 1 3 219.332 1.860 20 0 BDADHO CC(=O)Nc1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000050245285 643661306 /nfs/dbraw/zinc/66/13/06/643661306.db2.gz HRDYZOOMXYWRBI-CYBMUJFWSA-N 1 3 247.342 1.426 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000230217323 643766877 /nfs/dbraw/zinc/76/68/77/643766877.db2.gz GVERPGNMPZRZDF-STQMWFEESA-N 1 3 242.407 1.892 20 0 BDADHO CCc1ncc(CN2CCC([C@H](C)[NH3+])CC2)o1 ZINC000923284290 644308615 /nfs/dbraw/zinc/30/86/15/644308615.db2.gz LFAKDTKCGKRKAV-JTQLQIEISA-N 1 3 237.347 1.796 20 0 BDADHO Cc1ccc([C@H](O)CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000923280249 644311074 /nfs/dbraw/zinc/31/10/74/644311074.db2.gz FZHUCMCOPMAUFN-GXTWGEPZSA-N 1 3 234.343 1.309 20 0 BDADHO CCOCCOCCN[C@@](C)(C[NH3+])C(C)C ZINC000923296177 644335561 /nfs/dbraw/zinc/33/55/61/644335561.db2.gz OKTJGRZDGGGRFS-LBPRGKRZSA-N 1 3 232.368 1.003 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H](O)Cc1ccccc1)C1CC1 ZINC000923297160 644336192 /nfs/dbraw/zinc/33/61/92/644336192.db2.gz ZGOGAMCYFKDFDV-LSDHHAIUSA-N 1 3 248.370 1.307 20 0 BDADHO CCC[N@H+](C[C@H](O)CSC)C1CCNCC1 ZINC000923327900 644347479 /nfs/dbraw/zinc/34/74/79/644347479.db2.gz SWTGUUFVQGNHQM-LBPRGKRZSA-N 1 3 246.420 1.174 20 0 BDADHO CCC[N@@H+](C[C@H](O)CSC)C1CCNCC1 ZINC000923327900 644347482 /nfs/dbraw/zinc/34/74/82/644347482.db2.gz SWTGUUFVQGNHQM-LBPRGKRZSA-N 1 3 246.420 1.174 20 0 BDADHO CCCN(C[C@H](O)CSC)C1CC[NH2+]CC1 ZINC000923327900 644347486 /nfs/dbraw/zinc/34/74/86/644347486.db2.gz SWTGUUFVQGNHQM-LBPRGKRZSA-N 1 3 246.420 1.174 20 0 BDADHO Cc1ccc([C@H](O)CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000923330776 644350699 /nfs/dbraw/zinc/35/06/99/644350699.db2.gz IOCNDTFWJVXEMD-VHDGCEQUSA-N 1 3 248.370 1.698 20 0 BDADHO CCc1ncc(CN2CCC3(C2)CC[NH2+]CC3)o1 ZINC000923327109 644352273 /nfs/dbraw/zinc/35/22/73/644352273.db2.gz KWSZNVBCUVPHFA-UHFFFAOYSA-N 1 3 249.358 1.813 20 0 BDADHO CC[C@@H]1CN(C[C@H](O)CCC(C)C)CC[C@@H]1[NH3+] ZINC000923346013 644365282 /nfs/dbraw/zinc/36/52/82/644365282.db2.gz SWQQHKQQXKEVMD-MCIONIFRSA-N 1 3 242.407 1.843 20 0 BDADHO CCc1ncc(CN2CCC3(CC[NH2+]C3)CC2)o1 ZINC000923358112 644368196 /nfs/dbraw/zinc/36/81/96/644368196.db2.gz CSDQKVHOHRJWCF-UHFFFAOYSA-N 1 3 249.358 1.813 20 0 BDADHO CCCCCC[C@H](O)C[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000923368495 644381584 /nfs/dbraw/zinc/38/15/84/644381584.db2.gz QIPDMTJRVOVWLO-AVGNSLFASA-N 1 3 228.380 1.739 20 0 BDADHO CCCCCC[C@H](O)C[N@H+]1CC[C@H](N)[C@@H]1C ZINC000923368495 644381590 /nfs/dbraw/zinc/38/15/90/644381590.db2.gz QIPDMTJRVOVWLO-AVGNSLFASA-N 1 3 228.380 1.739 20 0 BDADHO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000923380722 644393441 /nfs/dbraw/zinc/39/34/41/644393441.db2.gz CQWCVMMTZRTYQL-KFWWJZLASA-N 1 3 248.370 1.888 20 0 BDADHO Cc1ccc(CN2CCNCC[NH2+]CC2)cc1C ZINC000923459190 644439291 /nfs/dbraw/zinc/43/92/91/644439291.db2.gz CWMGETAUPLIEQX-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO CCc1nc([C@H](C)N2CC[C@H](CC[NH3+])C2)n[nH]1 ZINC000923482193 644458166 /nfs/dbraw/zinc/45/81/66/644458166.db2.gz XPRJIAOCXGEUHO-UWVGGRQHSA-N 1 3 237.351 1.099 20 0 BDADHO C[C@@H](c1cnccn1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492297 644467875 /nfs/dbraw/zinc/46/78/75/644467875.db2.gz BMMOFGAZBAJHCY-GRYCIOLGSA-N 1 3 234.347 1.454 20 0 BDADHO CC(C)CC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515849 644480716 /nfs/dbraw/zinc/48/07/16/644480716.db2.gz OPROINVVOLLRIH-BFHYXJOUSA-N 1 3 240.391 1.325 20 0 BDADHO NCCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526394 644484763 /nfs/dbraw/zinc/48/47/63/644484763.db2.gz PKHKCPNTMNVTTO-CHWSQXEVSA-N 1 3 208.349 1.846 20 0 BDADHO NCCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000923526394 644484768 /nfs/dbraw/zinc/48/47/68/644484768.db2.gz PKHKCPNTMNVTTO-CHWSQXEVSA-N 1 3 208.349 1.846 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923533744 644490406 /nfs/dbraw/zinc/49/04/06/644490406.db2.gz NWMGTQDHQBMPDY-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923533744 644490408 /nfs/dbraw/zinc/49/04/08/644490408.db2.gz NWMGTQDHQBMPDY-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO CN(C[C@H]1CCCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000250792572 644780624 /nfs/dbraw/zinc/78/06/24/644780624.db2.gz KBAPCZLUZXITHJ-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO NC[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251455452 644804886 /nfs/dbraw/zinc/80/48/86/644804886.db2.gz UFCQMJACQQTLNM-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251455452 644804889 /nfs/dbraw/zinc/80/48/89/644804889.db2.gz UFCQMJACQQTLNM-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000251455452 644804892 /nfs/dbraw/zinc/80/48/92/644804892.db2.gz UFCQMJACQQTLNM-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@H]1CCCCN1CCC[NH2+][C@H]1CCOC1 ZINC000252231422 644843591 /nfs/dbraw/zinc/84/35/91/644843591.db2.gz ZWLAAUDIYCDONZ-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000252678986 644876849 /nfs/dbraw/zinc/87/68/49/644876849.db2.gz WDZOKLLONBHSJY-RFQIPJPRSA-N 1 3 240.391 1.645 20 0 BDADHO C/C=C\CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926771098 645417841 /nfs/dbraw/zinc/41/78/41/645417841.db2.gz YVTCGJGKYCVXCC-BEJLUXAGSA-N 1 3 238.375 1.794 20 0 BDADHO C/C=C\CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926771098 645417845 /nfs/dbraw/zinc/41/78/45/645417845.db2.gz YVTCGJGKYCVXCC-BEJLUXAGSA-N 1 3 238.375 1.794 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cccn1 ZINC000924621176 646079512 /nfs/dbraw/zinc/07/95/12/646079512.db2.gz UKJNROFDFZQXBH-PBWFPOADSA-N 1 3 248.374 1.203 20 0 BDADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)C1(Cl)CC1 ZINC000924757427 646101996 /nfs/dbraw/zinc/10/19/96/646101996.db2.gz OQWVTSCKOCWYDC-QWRGUYRKSA-N 1 3 246.782 1.193 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000924959678 646143508 /nfs/dbraw/zinc/14/35/08/646143508.db2.gz LEFPRQIJNGFDGM-MGPQQGTHSA-N 1 3 240.391 1.731 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929637433 646217263 /nfs/dbraw/zinc/21/72/63/646217263.db2.gz IHTJTLYOAQPYHI-LLVKDONJSA-N 1 3 212.337 1.049 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929637433 646217267 /nfs/dbraw/zinc/21/72/67/646217267.db2.gz IHTJTLYOAQPYHI-LLVKDONJSA-N 1 3 212.337 1.049 20 0 BDADHO CCCC[C@@H](CC)CN[C@@H]1C[NH2+]CCOC1 ZINC000925500167 646303822 /nfs/dbraw/zinc/30/38/22/646303822.db2.gz AKLXZZQNNPNQKA-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)CN1C1CC1 ZINC000925544277 646323875 /nfs/dbraw/zinc/32/38/75/646323875.db2.gz ZBDDQGOTZYMHOB-WVWOOGAGSA-N 1 3 249.402 1.471 20 0 BDADHO COCCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925553088 646329127 /nfs/dbraw/zinc/32/91/27/646329127.db2.gz MUJOUHVIMIDARD-AVGNSLFASA-N 1 3 240.391 1.779 20 0 BDADHO CCOCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925564075 646337729 /nfs/dbraw/zinc/33/77/29/646337729.db2.gz XJMODRGMZZQBLK-KBPBESRZSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCNC12CCC2 ZINC000925623136 646370585 /nfs/dbraw/zinc/37/05/85/646370585.db2.gz OZAJMSRBSQZHKT-YNEHKIRRSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925677789 646407218 /nfs/dbraw/zinc/40/72/18/646407218.db2.gz AVMFAIAWKIZSFU-NWDGAFQWSA-N 1 3 226.364 1.269 20 0 BDADHO CC[C@H](N[C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686859 646412854 /nfs/dbraw/zinc/41/28/54/646412854.db2.gz YRMQCLRMMOUQRV-DCAQKATOSA-N 1 3 241.379 1.007 20 0 BDADHO OC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925688797 646415410 /nfs/dbraw/zinc/41/54/10/646415410.db2.gz FTEVQHAOZOWVQU-JHJVBQTASA-N 1 3 238.375 1.412 20 0 BDADHO C[C@H]([NH2+][C@@H]1CNC[C@H]1C)C1CCSCC1 ZINC000925781570 646477426 /nfs/dbraw/zinc/47/74/26/646477426.db2.gz AVBJNZPJHVGBEJ-JFGNBEQYSA-N 1 3 228.405 1.716 20 0 BDADHO Cc1cc(CCN[C@@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000925831212 646501482 /nfs/dbraw/zinc/50/14/82/646501482.db2.gz CZXWXCUCDWRJTO-NWDGAFQWSA-N 1 3 236.363 1.131 20 0 BDADHO Cc1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1C ZINC000925835790 646503314 /nfs/dbraw/zinc/50/33/14/646503314.db2.gz VYOXCWQUYNCRQL-ONXXMXGDSA-N 1 3 248.374 1.144 20 0 BDADHO CCOCCOCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000925875381 646525686 /nfs/dbraw/zinc/52/56/86/646525686.db2.gz SGQUOXIEFSHSKY-OLZOCXBDSA-N 1 3 244.379 1.017 20 0 BDADHO CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000926469210 646651787 /nfs/dbraw/zinc/65/17/87/646651787.db2.gz GODNUZQXVXDHJR-HZSPNIEDSA-N 1 3 242.407 1.835 20 0 BDADHO C[C@H](C[NH2+][C@H](C)Cc1ccccn1)CN(C)C ZINC000926476262 646653614 /nfs/dbraw/zinc/65/36/14/646653614.db2.gz ZGLWVQSJUWDBGG-CHWSQXEVSA-N 1 3 235.375 1.800 20 0 BDADHO [NH3+]CC[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000723712207 711535267 /nfs/dbraw/zinc/53/52/67/711535267.db2.gz OASZNFGKRUCLLH-SNVBAGLBSA-N 1 3 239.750 1.906 20 0 BDADHO Cc1nc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)oc1C ZINC000723909920 711545047 /nfs/dbraw/zinc/54/50/47/711545047.db2.gz VPKACVWLTXXYEB-BXKDBHETSA-N 1 3 237.347 1.708 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C)[C@H](CN)C2)C1 ZINC000721928815 711937754 /nfs/dbraw/zinc/93/77/54/711937754.db2.gz VQDLSSMZUJPJGR-WUHRBBMRSA-N 1 3 226.364 1.328 20 0 BDADHO CCN(C[C@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700383386 711991401 /nfs/dbraw/zinc/99/14/01/711991401.db2.gz IXRPVFBVGBJIOQ-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCC2=CCCC2)C12CCC2 ZINC000702365255 712048754 /nfs/dbraw/zinc/04/87/54/712048754.db2.gz VMTOCLJYXUNOBZ-NEPJUHHUSA-N 1 3 206.333 1.956 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365255 712048755 /nfs/dbraw/zinc/04/87/55/712048755.db2.gz VMTOCLJYXUNOBZ-NEPJUHHUSA-N 1 3 206.333 1.956 20 0 BDADHO FCCN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000710260531 712249710 /nfs/dbraw/zinc/24/97/10/712249710.db2.gz HRSCTLDXZXYROF-GFCCVEGCSA-N 1 3 214.328 1.668 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC000710326351 712252093 /nfs/dbraw/zinc/25/20/93/712252093.db2.gz VYJRAGPINRDKJR-IGQOVBAYSA-N 1 3 240.391 1.731 20 0 BDADHO FC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000711446215 712300782 /nfs/dbraw/zinc/30/07/82/712300782.db2.gz WCXUGARCEQDYKP-NEPJUHHUSA-N 1 3 214.328 1.668 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1CCOC1CC1 ZINC000711755116 712324842 /nfs/dbraw/zinc/32/48/42/712324842.db2.gz WRJNVZSAJSNBHQ-LLVKDONJSA-N 1 3 212.337 1.369 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CC(C)(C)CO1 ZINC000717647071 712663085 /nfs/dbraw/zinc/66/30/85/712663085.db2.gz BOWAAIKNICMSHS-QWRGUYRKSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H](CCO)NC1CC([NH+]2CCCCC2)C1 ZINC000381494454 710646238 /nfs/dbraw/zinc/64/62/38/710646238.db2.gz ZQKPCTGJYKOZIA-HIFPTAJRSA-N 1 3 226.364 1.364 20 0 BDADHO COc1ccncc1CNCC1CC[NH+](C)CC1 ZINC000386223512 711025344 /nfs/dbraw/zinc/02/53/44/711025344.db2.gz ZJDGJKIBOLAZIM-UHFFFAOYSA-N 1 3 249.358 1.522 20 0 BDADHO CCCN1CC[C@H](N[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000389552607 711079456 /nfs/dbraw/zinc/07/94/56/711079456.db2.gz PNYNUFLOWKQUNB-GXYBRJDSSA-N 1 3 249.402 1.057 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000396617155 711361400 /nfs/dbraw/zinc/36/14/00/711361400.db2.gz GOEMCWGMKJEPPW-UBHSHLNASA-N 1 3 234.343 1.450 20 0 BDADHO CSC(C)(C)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396639635 711357617 /nfs/dbraw/zinc/35/76/17/711357617.db2.gz IKHSXEFJMRQDRI-VHSXEESVSA-N 1 3 216.394 1.858 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000398595531 711413344 /nfs/dbraw/zinc/41/33/44/711413344.db2.gz BTHYXWXNUIWWHG-NNYUYHANSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1(C2CC2)CC1 ZINC000396708653 711367082 /nfs/dbraw/zinc/36/70/82/711367082.db2.gz OKBOFTFNFROMII-JQWIXIFHSA-N 1 3 208.349 1.907 20 0 BDADHO C[NH+](C)C1CCN(c2ccnc(CO)c2)CC1 ZINC000040878153 711483037 /nfs/dbraw/zinc/48/30/37/711483037.db2.gz RHHQPMBIXAFVEG-UHFFFAOYSA-N 1 3 235.331 1.104 20 0 BDADHO C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C1CNC1 ZINC000723638328 711528942 /nfs/dbraw/zinc/52/89/42/711528942.db2.gz WKOMUAIPEFOPFO-JHJVBQTASA-N 1 3 224.348 1.001 20 0 BDADHO CCn1ccnc1CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723909586 711545097 /nfs/dbraw/zinc/54/50/97/711545097.db2.gz QQUIZJWISZUMIL-VXGBXAGGSA-N 1 3 236.363 1.320 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ncc[nH]1 ZINC000724088427 711560226 /nfs/dbraw/zinc/56/02/26/711560226.db2.gz MXSXGOBWNURDTD-GUBZILKMSA-N 1 3 208.309 1.188 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CC[C@H](C2CC2)O1 ZINC000722324424 711737652 /nfs/dbraw/zinc/73/76/52/711737652.db2.gz KNQRNLYVYMCPAS-LPWJVIDDSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722324424 711737655 /nfs/dbraw/zinc/73/76/55/711737655.db2.gz KNQRNLYVYMCPAS-LPWJVIDDSA-N 1 3 238.375 1.659 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000229085124 711837550 /nfs/dbraw/zinc/83/75/50/711837550.db2.gz FCWOXVWPHBUIIZ-VHSXEESVSA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H](COC)C(C)C)CC[C@H]1N ZINC000721913813 711918223 /nfs/dbraw/zinc/91/82/23/711918223.db2.gz QDNNNIHELPZHOJ-MGPQQGTHSA-N 1 3 242.407 1.964 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H](COC)C(C)C)CC[C@H]1N ZINC000721913813 711918225 /nfs/dbraw/zinc/91/82/25/711918225.db2.gz QDNNNIHELPZHOJ-MGPQQGTHSA-N 1 3 242.407 1.964 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](C)[C@H](CN)C2)C1 ZINC000721928815 711937753 /nfs/dbraw/zinc/93/77/53/711937753.db2.gz VQDLSSMZUJPJGR-WUHRBBMRSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCC1(F)CCC1 ZINC000702520668 712054273 /nfs/dbraw/zinc/05/42/73/712054273.db2.gz NWWFLSXQSOMYDY-WDEREUQCSA-N 1 3 214.328 1.999 20 0 BDADHO CCOCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709777342 712226132 /nfs/dbraw/zinc/22/61/32/712226132.db2.gz GKVABLRCVZSDIL-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO NCC(C[NH3+])NCc1ccc(C(F)(F)F)cc1 ZINC000710060152 712243545 /nfs/dbraw/zinc/24/35/45/712243545.db2.gz AQOYIVSRQFTINO-UHFFFAOYSA-N 1 3 247.264 1.081 20 0 BDADHO CN(CCCCCC[NH3+])CC(=O)NC(C)(C)C ZINC000710761934 712256723 /nfs/dbraw/zinc/25/67/23/712256723.db2.gz YMVZIBWYAUPCKX-UHFFFAOYSA-N 1 3 243.395 1.352 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711450112 712301302 /nfs/dbraw/zinc/30/13/02/712301302.db2.gz JHDJBKCOICVKPZ-QWHCGFSZSA-N 1 3 246.370 1.369 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711450112 712301303 /nfs/dbraw/zinc/30/13/03/712301303.db2.gz JHDJBKCOICVKPZ-QWHCGFSZSA-N 1 3 246.370 1.369 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438278 712429659 /nfs/dbraw/zinc/42/96/59/712429659.db2.gz OASJFDLRVUFNBC-AVGNSLFASA-N 1 3 238.375 1.757 20 0 BDADHO CN(C[C@H]1CC[C@@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511589 712524682 /nfs/dbraw/zinc/52/46/82/712524682.db2.gz SLRJWRRBVSBLLX-OLZOCXBDSA-N 1 3 240.391 1.861 20 0 BDADHO Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(N)n1 ZINC000715569988 712529431 /nfs/dbraw/zinc/52/94/31/712529431.db2.gz JMFVPPFNGVIBMO-GHMZBOCLSA-N 1 3 249.362 1.652 20 0 BDADHO COC[C@H](NC[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340351 712649642 /nfs/dbraw/zinc/64/96/42/712649642.db2.gz SBOAPIZYPIXKAA-MNOVXSKESA-N 1 3 248.317 1.246 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCC2(CO)CCC2)C12CCC2 ZINC000717639670 712666027 /nfs/dbraw/zinc/66/60/27/712666027.db2.gz FECMZVATDVHOBX-GHMZBOCLSA-N 1 3 224.348 1.009 20 0 BDADHO CN1CCC([NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000037649342 712733666 /nfs/dbraw/zinc/73/36/66/712733666.db2.gz NLZDIUPJHJJLMS-GFCCVEGCSA-N 1 3 237.391 1.155 20 0 BDADHO C[C@@H]([NH2+]CCN)c1ccc2c(c1)OCCCO2 ZINC000037712515 712745008 /nfs/dbraw/zinc/74/50/08/712745008.db2.gz BAEDPYBZHZHFPF-SNVBAGLBSA-N 1 3 236.315 1.457 20 0 BDADHO COCC(C)(C)CC[NH2+][C@@H](C)C1CNC1 ZINC000718741007 712779731 /nfs/dbraw/zinc/77/97/31/712779731.db2.gz OUOBIMOQKTXQHM-JTQLQIEISA-N 1 3 214.353 1.247 20 0 BDADHO C[C@H]1CC[C@H](NCCC2CCOCC2)C[NH2+]1 ZINC000399084982 958507673 /nfs/dbraw/zinc/50/76/73/958507673.db2.gz UCLOWASFDOYSHJ-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO N[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503753 959522979 /nfs/dbraw/zinc/52/29/79/959522979.db2.gz KUWVNMXKWFIVFK-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO N[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000708503753 959522992 /nfs/dbraw/zinc/52/29/92/959522992.db2.gz KUWVNMXKWFIVFK-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001167955960 962801685 /nfs/dbraw/zinc/80/16/85/962801685.db2.gz ISOAFRHYMSZTPO-ITGUQSILSA-N 1 3 220.360 1.813 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H]2COC(C)(C)O2)CC[N@@H+]1C ZINC000715115861 965723596 /nfs/dbraw/zinc/72/35/96/965723596.db2.gz QMJQOYGUELUGSA-SRVKXCTJSA-N 1 3 242.363 1.210 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H]2COC(C)(C)O2)CC[N@H+]1C ZINC000715115861 965723608 /nfs/dbraw/zinc/72/36/08/965723608.db2.gz QMJQOYGUELUGSA-SRVKXCTJSA-N 1 3 242.363 1.210 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC001205064887 967318367 /nfs/dbraw/zinc/31/83/67/967318367.db2.gz ZTSHTUUZXNAXNO-ONGXEEELSA-N 1 3 221.304 1.099 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1ccc(=O)[nH]c1 ZINC001205064887 967318374 /nfs/dbraw/zinc/31/83/74/967318374.db2.gz ZTSHTUUZXNAXNO-ONGXEEELSA-N 1 3 221.304 1.099 20 0 BDADHO CS[C@H](C)CCN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057979 967858430 /nfs/dbraw/zinc/85/84/30/967858430.db2.gz BLXUNBKAPSEMFI-AXFHLTTASA-N 1 3 216.394 1.940 20 0 BDADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205939007 967892472 /nfs/dbraw/zinc/89/24/72/967892472.db2.gz MVWNVWSJOJVTLO-JHJVBQTASA-N 1 3 228.380 1.597 20 0 BDADHO CCCC[C@@H](CC)C[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205939007 967892477 /nfs/dbraw/zinc/89/24/77/967892477.db2.gz MVWNVWSJOJVTLO-JHJVBQTASA-N 1 3 228.380 1.597 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCCC[C@@H](O)C1 ZINC001207275022 968706202 /nfs/dbraw/zinc/70/62/02/968706202.db2.gz INJVVAQHHDXZEQ-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CCN1CCN(CC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC001207284154 968716242 /nfs/dbraw/zinc/71/62/42/968716242.db2.gz KPQROIOMGJTLNB-CYBMUJFWSA-N 1 3 241.423 1.600 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC001207959474 968952454 /nfs/dbraw/zinc/95/24/54/968952454.db2.gz KOWQDWPDLXPLEW-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO CCCOCCCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253405176 969159556 /nfs/dbraw/zinc/15/95/56/969159556.db2.gz RKKSLPOEMGEFIS-LBPRGKRZSA-N 1 3 246.395 1.142 20 0 BDADHO C[C@H]1COCCN(C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607908 969164496 /nfs/dbraw/zinc/16/44/96/969164496.db2.gz NUXNRRMEFDHZDV-OLZOCXBDSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@H]1COCCN(C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607908 969164502 /nfs/dbraw/zinc/16/45/02/969164502.db2.gz NUXNRRMEFDHZDV-OLZOCXBDSA-N 1 3 226.364 1.297 20 0 BDADHO CN1CCC[C@H](C[NH+]2CC3CC(C3)C2)C1 ZINC001208616726 969171512 /nfs/dbraw/zinc/17/15/12/969171512.db2.gz LIWPDZQKQZYSQB-HIFPTAJRSA-N 1 3 208.349 1.670 20 0 BDADHO CO[C@H]1CCC[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000723470239 969319574 /nfs/dbraw/zinc/31/95/74/969319574.db2.gz RNBWMODQHZIIDR-NOOOWODRSA-N 1 3 212.337 1.223 20 0 BDADHO COC[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078354 969399388 /nfs/dbraw/zinc/39/93/88/969399388.db2.gz DKTIHLPDDWBLLX-FIQHERPVSA-N 1 3 212.337 1.236 20 0 BDADHO COC[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078354 969399393 /nfs/dbraw/zinc/39/93/93/969399393.db2.gz DKTIHLPDDWBLLX-FIQHERPVSA-N 1 3 212.337 1.236 20 0 BDADHO CCN1CCC([N@@H+]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC001169250120 969539161 /nfs/dbraw/zinc/53/91/61/969539161.db2.gz OBOSPWFQRPHGLX-QWHCGFSZSA-N 1 3 239.407 1.495 20 0 BDADHO CCN1CCC([N@H+]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC001169250120 969539165 /nfs/dbraw/zinc/53/91/65/969539165.db2.gz OBOSPWFQRPHGLX-QWHCGFSZSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2CCC[N@H+](C)CC2)n1 ZINC001254506010 969676669 /nfs/dbraw/zinc/67/66/69/969676669.db2.gz NLRCCNDLGTWHEM-GHMZBOCLSA-N 1 3 222.336 1.560 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506010 969676680 /nfs/dbraw/zinc/67/66/80/969676680.db2.gz NLRCCNDLGTWHEM-GHMZBOCLSA-N 1 3 222.336 1.560 20 0 BDADHO CN1CCC[C@@H]([NH2+]C2CN(C(C)(C)C)C2)CC1 ZINC001254511692 969684537 /nfs/dbraw/zinc/68/45/37/969684537.db2.gz CRQLNRMDMSXQHT-GFCCVEGCSA-N 1 3 239.407 1.543 20 0 BDADHO CCCN1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254524449 969708433 /nfs/dbraw/zinc/70/84/33/969708433.db2.gz BWWMZTLGFJGAIU-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCCN1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254524449 969708439 /nfs/dbraw/zinc/70/84/39/969708439.db2.gz BWWMZTLGFJGAIU-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCC[C@H](CO)[NH2+][C@H](C)CCN(CC)CC ZINC001255947790 970584812 /nfs/dbraw/zinc/58/48/12/970584812.db2.gz WQCYTAGQWZSYMP-CHWSQXEVSA-N 1 3 230.396 1.857 20 0 BDADHO CCC[C@H](CO)N[C@H](C)CC[NH+](CC)CC ZINC001255947790 970584822 /nfs/dbraw/zinc/58/48/22/970584822.db2.gz WQCYTAGQWZSYMP-CHWSQXEVSA-N 1 3 230.396 1.857 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC001255954784 970589878 /nfs/dbraw/zinc/58/98/78/970589878.db2.gz HZIWPJQBRBHNGM-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@@H](CO)C1 ZINC001255954784 970589890 /nfs/dbraw/zinc/58/98/90/970589890.db2.gz HZIWPJQBRBHNGM-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCCN1CCC1 ZINC001255951558 970590403 /nfs/dbraw/zinc/59/04/03/970590403.db2.gz QLYZGWSKJPSTHA-CYBMUJFWSA-N 1 3 227.396 1.402 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957082 970596691 /nfs/dbraw/zinc/59/66/91/970596691.db2.gz ORXOGGABIHNRAR-YNEHKIRRSA-N 1 3 228.380 1.419 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001255957082 970596708 /nfs/dbraw/zinc/59/67/08/970596708.db2.gz ORXOGGABIHNRAR-YNEHKIRRSA-N 1 3 228.380 1.419 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CCN(C)[C@H](C)C1 ZINC001255964097 970599557 /nfs/dbraw/zinc/59/95/57/970599557.db2.gz OLDWTVVYIYFXGP-ZIAGYGMSSA-N 1 3 241.423 1.743 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CC[N@H+](CC)C1 ZINC001173361694 975334259 /nfs/dbraw/zinc/33/42/59/975334259.db2.gz VQWBYDZVSQYJFB-ZDUSSCGKSA-N 1 3 236.363 1.561 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CC[N@@H+](CC)C1 ZINC001173361694 975334266 /nfs/dbraw/zinc/33/42/66/975334266.db2.gz VQWBYDZVSQYJFB-ZDUSSCGKSA-N 1 3 236.363 1.561 20 0 BDADHO CSC[C@@H](O)CNC[C@H]1CCCC[N@@H+](C)C1 ZINC001335433196 977057287 /nfs/dbraw/zinc/05/72/87/977057287.db2.gz RWNLROOTPBGSLK-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO [NH3+]C[C@@]1(F)CCCCN(C[C@H]2CCCOC2)C1 ZINC001206337319 978602186 /nfs/dbraw/zinc/60/21/86/978602186.db2.gz SYGFTWYRBFFCPC-OLZOCXBDSA-N 1 3 244.354 1.566 20 0 BDADHO OCCCCC[N@H+]1CCCC12CCNCC2 ZINC001235139954 978981793 /nfs/dbraw/zinc/98/17/93/978981793.db2.gz FNDPPUVUHKOVMI-UHFFFAOYSA-N 1 3 226.364 1.367 20 0 BDADHO OCCCCC[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235400441 979035522 /nfs/dbraw/zinc/03/55/22/979035522.db2.gz CZEYOMUXEVVLRL-CHWSQXEVSA-N 1 3 244.354 1.173 20 0 BDADHO OCCCCCN1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235400441 979035526 /nfs/dbraw/zinc/03/55/26/979035526.db2.gz CZEYOMUXEVVLRL-CHWSQXEVSA-N 1 3 244.354 1.173 20 0 BDADHO CO[C@@H]1CN(C[C@H]2CCC(C)=C[C@@H]2C)C[C@@H]1[NH3+] ZINC001237101490 979814533 /nfs/dbraw/zinc/81/45/33/979814533.db2.gz GDUVAGMUBSMJMU-RFQIPJPRSA-N 1 3 238.375 1.637 20 0 BDADHO Cc1cnc(C2=CCN(C)CC2)c(C[NH3+])c1 ZINC001241311681 982456985 /nfs/dbraw/zinc/45/69/85/982456985.db2.gz ZKIYOTGJFKHVNZ-UHFFFAOYSA-N 1 3 217.316 1.568 20 0 BDADHO [NH3+][C@@H]1CCN(CCC2CCCCC2)C[C@H]1O ZINC001205947013 983669817 /nfs/dbraw/zinc/66/98/17/983669817.db2.gz VEGSSBRBCGNGLR-CHWSQXEVSA-N 1 3 226.364 1.351 20 0 BDADHO N[C@@H]1CC[N@H+](CCC2CCCCC2)C[C@H]1O ZINC001205947013 983669829 /nfs/dbraw/zinc/66/98/29/983669829.db2.gz VEGSSBRBCGNGLR-CHWSQXEVSA-N 1 3 226.364 1.351 20 0 BDADHO N[C@@H]1CC[N@@H+](CCC2CCCCC2)C[C@H]1O ZINC001205947013 983669836 /nfs/dbraw/zinc/66/98/36/983669836.db2.gz VEGSSBRBCGNGLR-CHWSQXEVSA-N 1 3 226.364 1.351 20 0 BDADHO CCOCC[C@@H](C)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172427131 974703681 /nfs/dbraw/zinc/70/36/81/974703681.db2.gz MRHIIFWNGHGHEA-MGPQQGTHSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)OCC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172442081 974802902 /nfs/dbraw/zinc/80/29/02/974802902.db2.gz RHIJNENBSCWHAU-NWDGAFQWSA-N 1 3 216.369 1.717 20 0 BDADHO CC(C)OCC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172442081 974802907 /nfs/dbraw/zinc/80/29/07/974802907.db2.gz RHIJNENBSCWHAU-NWDGAFQWSA-N 1 3 216.369 1.717 20 0 BDADHO CC(C)COCC[C@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC001172459163 974823208 /nfs/dbraw/zinc/82/32/08/974823208.db2.gz FRCUDRDADHTHKB-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC001172459163 974823213 /nfs/dbraw/zinc/82/32/13/974823213.db2.gz FRCUDRDADHTHKB-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO Cc1c[nH]c(CN2CCC(F)(C[NH3+])CC2)c1C ZINC001222537428 972553937 /nfs/dbraw/zinc/55/39/37/972553937.db2.gz BWCDPTIYDWHVGN-UHFFFAOYSA-N 1 3 239.338 1.894 20 0 BDADHO CC(C)=CCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586940 972977571 /nfs/dbraw/zinc/97/75/71/972977571.db2.gz UUGQLNHHLVIMFV-AGIUHOORSA-N 1 3 226.364 1.373 20 0 BDADHO CC(C)=CCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586940 972977599 /nfs/dbraw/zinc/97/75/99/972977599.db2.gz UUGQLNHHLVIMFV-AGIUHOORSA-N 1 3 226.364 1.373 20 0 BDADHO CCCC[C@@H](CC)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246641562 973062341 /nfs/dbraw/zinc/06/23/41/973062341.db2.gz JBAFKBNWPNZEED-ZIAGYGMSSA-N 1 3 239.407 1.593 20 0 BDADHO CC[NH2+]CCCNC(=O)[C@H](N)C1CCCCC1 ZINC001328449363 973068202 /nfs/dbraw/zinc/06/82/02/973068202.db2.gz CVEJWKNIWQEOMH-GFCCVEGCSA-N 1 3 241.379 1.010 20 0 BDADHO CC(C)(C)[NH+]1CCC(n2cnc(CN)c2)CC1 ZINC001256554932 970859637 /nfs/dbraw/zinc/85/96/37/970859637.db2.gz PGWOSKUWAQSHPR-UHFFFAOYSA-N 1 3 236.363 1.777 20 0 BDADHO CC(C)(C)[NH+]1CCC(n2ccc(CN)n2)CC1 ZINC001256558347 970862612 /nfs/dbraw/zinc/86/26/12/970862612.db2.gz NTOHZHNMSCTCBR-UHFFFAOYSA-N 1 3 236.363 1.777 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503117 971004522 /nfs/dbraw/zinc/00/45/22/971004522.db2.gz COHBSQHVMRFINS-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503117 971004533 /nfs/dbraw/zinc/00/45/33/971004533.db2.gz COHBSQHVMRFINS-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO COC[C@H]([NH2+][C@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405223472 971213600 /nfs/dbraw/zinc/21/36/00/971213600.db2.gz NNGKFJUWCBHAAG-TUAOUCFPSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCc2nccs2)C12CCC2 ZINC000405228041 971215973 /nfs/dbraw/zinc/21/59/73/971215973.db2.gz FAJDQTMVFFUPGS-ZJUUUORDSA-N 1 3 237.372 1.545 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCc2ccco2)C12CCC2 ZINC000405259764 971219886 /nfs/dbraw/zinc/21/98/86/971219886.db2.gz IIIFNZMLTFNVLP-NWDGAFQWSA-N 1 3 220.316 1.682 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CCCCO2)C12CCC2 ZINC000405367918 971242325 /nfs/dbraw/zinc/24/23/25/971242325.db2.gz XKURVDCOKOXVPE-TUAOUCFPSA-N 1 3 224.348 1.415 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C12CCC2 ZINC000405367918 971242332 /nfs/dbraw/zinc/24/23/32/971242332.db2.gz XKURVDCOKOXVPE-TUAOUCFPSA-N 1 3 224.348 1.415 20 0 BDADHO CC(C)CCOCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405343697 971243678 /nfs/dbraw/zinc/24/36/78/971243678.db2.gz JPQVVFLNGSOHEP-QWHCGFSZSA-N 1 3 240.391 1.909 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405368049 971243771 /nfs/dbraw/zinc/24/37/71/971243771.db2.gz XMVUSVCQPMEJKK-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](COC)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368049 971243782 /nfs/dbraw/zinc/24/37/82/971243782.db2.gz XMVUSVCQPMEJKK-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405378832 971248342 /nfs/dbraw/zinc/24/83/42/971248342.db2.gz CGSYAVGMFXXYSM-TUAOUCFPSA-N 1 3 226.364 1.397 20 0 BDADHO CCCCOCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405394000 971248719 /nfs/dbraw/zinc/24/87/19/971248719.db2.gz HRJBIIZPVRJZOA-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCCOC2)C12CCC2 ZINC000405518021 971263175 /nfs/dbraw/zinc/26/31/75/971263175.db2.gz UWHFAFOSQSTVLJ-MXWKQRLJSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000405518021 971263187 /nfs/dbraw/zinc/26/31/87/971263187.db2.gz UWHFAFOSQSTVLJ-MXWKQRLJSA-N 1 3 210.321 1.025 20 0 BDADHO C[C@@H]1OC[C@@H](NCCC[NH+]2CCCCC2)[C@@H]1C ZINC000405551408 971268616 /nfs/dbraw/zinc/26/86/16/971268616.db2.gz SFKZOHJLFBNUFO-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@H](C)[C@@H]1C)C[NH+](C)C ZINC000405608550 971278927 /nfs/dbraw/zinc/27/89/27/971278927.db2.gz OZPODCKHLJYYQF-WRWGMCAJSA-N 1 3 214.353 1.197 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1OC[C@H]1COC(C)(C)N1 ZINC001217789683 971406736 /nfs/dbraw/zinc/40/67/36/971406736.db2.gz QCMCNUJRWMTNQR-WOPDTQHZSA-N 1 3 242.363 1.116 20 0 BDADHO CC(C)C[NH+]1CCC(n2ccc(CN)n2)CC1 ZINC001258002496 971554917 /nfs/dbraw/zinc/55/49/17/971554917.db2.gz NGPNXLGDZVFODG-UHFFFAOYSA-N 1 3 236.363 1.635 20 0 BDADHO CCCCC[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133965828 971627951 /nfs/dbraw/zinc/62/79/51/971627951.db2.gz LNMOLAKVDQNAMT-LBPRGKRZSA-N 1 3 243.395 1.223 20 0 BDADHO CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706384 971965825 /nfs/dbraw/zinc/96/58/25/971965825.db2.gz UBHJXEUASMHGRI-NWDGAFQWSA-N 1 3 243.395 1.221 20 0 BDADHO NC1(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001218995524 971972056 /nfs/dbraw/zinc/97/20/56/971972056.db2.gz RCKHJGNUNITPTI-LLVKDONJSA-N 1 3 245.326 1.193 20 0 BDADHO [NH3+]C[C@H]1CCCCN(Cc2cccc(O)c2)C1 ZINC000310538284 971975102 /nfs/dbraw/zinc/97/51/02/971975102.db2.gz PVZVCCARJVQSEL-CYBMUJFWSA-N 1 3 234.343 1.953 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)CCOC2 ZINC001170900378 972063033 /nfs/dbraw/zinc/06/30/33/972063033.db2.gz SXSJPGCCZUUYNR-CYBMUJFWSA-N 1 3 235.331 1.195 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)C=CC2 ZINC001170900445 972064416 /nfs/dbraw/zinc/06/44/16/972064416.db2.gz LIKRSZBEWJFVIQ-ZDUSSCGKSA-N 1 3 217.316 1.692 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1cccc(C2COC2)c1 ZINC001170901243 972067155 /nfs/dbraw/zinc/06/71/55/972067155.db2.gz XKGVFKILRUPSIV-CYBMUJFWSA-N 1 3 235.331 1.236 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCc2cccc(O)c2)CCN1 ZINC001246156668 972199404 /nfs/dbraw/zinc/19/94/04/972199404.db2.gz BDYCQGXEHVQLPC-DGCLKSJQSA-N 1 3 234.343 1.665 20 0 BDADHO C[C@@H]1C[C@H](NCCc2cccc(O)c2)CC[NH2+]1 ZINC001246156668 972199413 /nfs/dbraw/zinc/19/94/13/972199413.db2.gz BDYCQGXEHVQLPC-DGCLKSJQSA-N 1 3 234.343 1.665 20 0 BDADHO Fc1cccc2c1C[C@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246198580 972215119 /nfs/dbraw/zinc/21/51/19/972215119.db2.gz QJHXVWIWNGJFFS-WCQYABFASA-N 1 3 248.345 1.882 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000396704666 957184238 /nfs/dbraw/zinc/18/42/38/957184238.db2.gz OCXZKLILEUXFTG-NNYUYHANSA-N 1 3 212.337 1.284 20 0 BDADHO CCOC(C)(C)CN1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000705781092 957484316 /nfs/dbraw/zinc/48/43/16/957484316.db2.gz OTZUCEFKSPQODX-VXGBXAGGSA-N 1 3 228.380 1.861 20 0 BDADHO CCC[C@H](N)C(=O)NC(C[NH3+])(CCC)CCC ZINC001221372637 972331283 /nfs/dbraw/zinc/33/12/83/972331283.db2.gz RBUSFNVWZFUMOG-NSHDSACASA-N 1 3 243.395 1.528 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCN1 ZINC001246466545 972339253 /nfs/dbraw/zinc/33/92/53/972339253.db2.gz QUYNWLFFLMWFTM-UMSGYPCISA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1CC[C@H](NCCN2CCCCC2)C[NH2+]1 ZINC000399016545 958482842 /nfs/dbraw/zinc/48/28/42/958482842.db2.gz CJQIUPFPLHVUNT-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1CC[C@H](NCC2CC(F)(F)C2)C[NH2+]1 ZINC000399005651 958483196 /nfs/dbraw/zinc/48/31/96/958483196.db2.gz XVGCFUMGXGSNCV-SCZZXKLOSA-N 1 3 218.291 1.762 20 0 BDADHO C[C@@H]1CC[C@@H](NCCCC(C)(C)CO)C[NH2+]1 ZINC000399119688 958517725 /nfs/dbraw/zinc/51/77/25/958517725.db2.gz OIDZNQHKSRZCQO-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CCC1(C[N@@H+]2CCC[C@]23CCCNC3)COC1 ZINC001222231090 972417433 /nfs/dbraw/zinc/41/74/33/972417433.db2.gz IXKARJDJLAUTND-AWEZNQCLSA-N 1 3 238.375 1.631 20 0 BDADHO CCC1(C[N@H+]2CCC[C@]23CCCNC3)COC1 ZINC001222231090 972417439 /nfs/dbraw/zinc/41/74/39/972417439.db2.gz IXKARJDJLAUTND-AWEZNQCLSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCS[C@H](C)[C@H]1C ZINC000300357151 959377015 /nfs/dbraw/zinc/37/70/15/959377015.db2.gz VKHAWIJOKKCWGO-KKOKHZNYSA-N 1 3 228.405 1.668 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCOC2CCCC2)C12CCC2 ZINC000405357504 959444278 /nfs/dbraw/zinc/44/42/78/959444278.db2.gz RUIYPIBOELIZNP-STQMWFEESA-N 1 3 238.375 1.805 20 0 BDADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCCOC2)CCC1(F)F ZINC000708501091 959527819 /nfs/dbraw/zinc/52/78/19/959527819.db2.gz AWODCCGLOKSNFO-WDEREUQCSA-N 1 3 248.317 1.329 20 0 BDADHO NC[C@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC000309332342 959849086 /nfs/dbraw/zinc/84/90/86/959849086.db2.gz JDOBOKKEZNNKTQ-CYBMUJFWSA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC000309332342 959849092 /nfs/dbraw/zinc/84/90/92/959849092.db2.gz JDOBOKKEZNNKTQ-CYBMUJFWSA-N 1 3 226.364 1.474 20 0 BDADHO CN(C[C@@H](O)C[NH3+])CC1CCC2(CC2)CC1 ZINC000695583010 960293360 /nfs/dbraw/zinc/29/33/60/960293360.db2.gz NBRRYHBBJUXCDG-LBPRGKRZSA-N 1 3 226.364 1.208 20 0 BDADHO C[C@@H]1C[C@@H](NCCN2CCCCC2)CC[NH2+]1 ZINC000709376055 960537689 /nfs/dbraw/zinc/53/76/89/960537689.db2.gz PLXJOLCHFCRFPS-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO Cc1ccc(O)c(CN2CCCC[C@@H](C[NH3+])C2)n1 ZINC000311235059 960559805 /nfs/dbraw/zinc/55/98/05/960559805.db2.gz SRVLNQSRZULABU-LBPRGKRZSA-N 1 3 249.358 1.656 20 0 BDADHO CSC1CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 ZINC000709449029 960615379 /nfs/dbraw/zinc/61/53/79/960615379.db2.gz NLTMKUFCDZGYFI-MNOVXSKESA-N 1 3 228.405 1.954 20 0 BDADHO CSC1CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000709449029 960615392 /nfs/dbraw/zinc/61/53/92/960615392.db2.gz NLTMKUFCDZGYFI-MNOVXSKESA-N 1 3 228.405 1.954 20 0 BDADHO C(C1CCCC1)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222492414 960664627 /nfs/dbraw/zinc/66/46/27/960664627.db2.gz XELOAIHLNUDDSW-KBPBESRZSA-N 1 3 237.391 1.202 20 0 BDADHO C(C1CCCC1)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222492414 960664631 /nfs/dbraw/zinc/66/46/31/960664631.db2.gz XELOAIHLNUDDSW-KBPBESRZSA-N 1 3 237.391 1.202 20 0 BDADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]C(C)C)N(C)C ZINC001268092808 961201581 /nfs/dbraw/zinc/20/15/81/961201581.db2.gz FVNGSDORJJCCSF-RYUDHWBXSA-N 1 3 243.395 1.172 20 0 BDADHO FC[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711444120 962704154 /nfs/dbraw/zinc/70/41/54/962704154.db2.gz RMIFIVPSURLFIO-FKJOKYEKSA-N 1 3 226.339 1.951 20 0 BDADHO [NH3+]Cc1cn(-c2cc(N3CCCC3)ccn2)cn1 ZINC001154908766 962898112 /nfs/dbraw/zinc/89/81/12/962898112.db2.gz HGEFHFMUGOUPEI-UHFFFAOYSA-N 1 3 243.314 1.326 20 0 BDADHO CN(C)c1cccc(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154976953 962928684 /nfs/dbraw/zinc/92/86/84/962928684.db2.gz LWNBDXVLZPVYNJ-QWRGUYRKSA-N 1 3 234.347 1.829 20 0 BDADHO COC[C@@H]1CCCC[N@H+](CCCNC2CC2)C1 ZINC000696610978 963291134 /nfs/dbraw/zinc/29/11/34/963291134.db2.gz SELUMLIUUFWMJU-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO COC[C@@H]1CCCC[N@@H+](CCCNC2CC2)C1 ZINC000696610978 963291142 /nfs/dbraw/zinc/29/11/42/963291142.db2.gz SELUMLIUUFWMJU-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CN(Cc1ccc(N2CC[C@H]([NH3+])C2)nc1)C1CC1 ZINC001156232088 963296052 /nfs/dbraw/zinc/29/60/52/963296052.db2.gz CGMMVAUAIDGVCE-LBPRGKRZSA-N 1 3 246.358 1.213 20 0 BDADHO c1cc2c(cc[nH+]c2N2CCN3CC[C@H]3C2)[nH]1 ZINC001158426458 963868064 /nfs/dbraw/zinc/86/80/64/963868064.db2.gz ZYLSRZXDBXNZPB-JTQLQIEISA-N 1 3 228.299 1.457 20 0 BDADHO Cc1nc(N2CC[NH2+]C3(CC3)C2)cc2[nH]ccc21 ZINC001158937966 963962153 /nfs/dbraw/zinc/96/21/53/963962153.db2.gz HQRKWQVTUNFTHO-UHFFFAOYSA-N 1 3 242.326 1.814 20 0 BDADHO CN(C)Cc1ccnc(N(C)C(C)(C)C[NH3+])c1 ZINC001159059436 963989492 /nfs/dbraw/zinc/98/94/92/963989492.db2.gz GKNKUAYYVCAXPC-UHFFFAOYSA-N 1 3 236.363 1.317 20 0 BDADHO COc1ccc2c(c1)C[C@H](N(C)C[C@@H](C)C[NH3+])C2 ZINC001168245325 964054713 /nfs/dbraw/zinc/05/47/13/964054713.db2.gz WRQWEKDRFNNRFM-SMDDNHRTSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@H+](C)C[C@@H](C)CN)C2 ZINC001168245325 964054728 /nfs/dbraw/zinc/05/47/28/964054728.db2.gz WRQWEKDRFNNRFM-SMDDNHRTSA-N 1 3 248.370 1.689 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@@H+](C)C[C@@H](C)CN)C2 ZINC001168245325 964054744 /nfs/dbraw/zinc/05/47/44/964054744.db2.gz WRQWEKDRFNNRFM-SMDDNHRTSA-N 1 3 248.370 1.689 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@@H]2CCCSC2)CC1 ZINC000725661333 964227898 /nfs/dbraw/zinc/22/78/98/964227898.db2.gz MJYXLKQMIYFGTB-WDEREUQCSA-N 1 3 214.378 1.695 20 0 BDADHO N[C@H]1CCC[N@H+]([C@@H]2CCCSC2)CC1 ZINC000725661333 964227913 /nfs/dbraw/zinc/22/79/13/964227913.db2.gz MJYXLKQMIYFGTB-WDEREUQCSA-N 1 3 214.378 1.695 20 0 BDADHO CCCC[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160889048 964438141 /nfs/dbraw/zinc/43/81/41/964438141.db2.gz AHPFDFYKGRGQQB-GFCCVEGCSA-N 1 3 243.395 1.223 20 0 BDADHO C[C@@]1(O)C[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168357523 964520505 /nfs/dbraw/zinc/52/05/05/964520505.db2.gz FREQGFZVPJVRCI-HDJSIYSDSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](CCN[C@@H](C)[C@H]1CCCO1)[NH+](C)C ZINC000697892049 964649910 /nfs/dbraw/zinc/64/99/10/964649910.db2.gz ZJQZVDWINFLJPI-GRYCIOLGSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CCOC(C)(C)C1)N(C)C ZINC000697908900 964675489 /nfs/dbraw/zinc/67/54/89/964675489.db2.gz NVHXFAXEQJHNIL-NWDGAFQWSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccnc(CN)c1 ZINC001162468266 964987807 /nfs/dbraw/zinc/98/78/07/964987807.db2.gz WEPUYBXSDCXMQW-VXGBXAGGSA-N 1 3 248.374 1.588 20 0 BDADHO C[C@H]1C[NH2+]CCC[C@H]1CNc1cncn1C ZINC001162459515 964988419 /nfs/dbraw/zinc/98/84/19/964988419.db2.gz ZRCXUPQDCBJFRK-QWRGUYRKSA-N 1 3 222.336 1.468 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccnc(CN)c1 ZINC001162468261 964988437 /nfs/dbraw/zinc/98/84/37/964988437.db2.gz WEPUYBXSDCXMQW-NEPJUHHUSA-N 1 3 248.374 1.588 20 0 BDADHO F[C@@H]1C[NH2+][C@H](CNc2c[nH]cc3ccnc2-3)C1 ZINC001162477682 964991240 /nfs/dbraw/zinc/99/12/40/964991240.db2.gz NBBUXQYJQZUJDP-UWVGGRQHSA-N 1 3 234.278 1.675 20 0 BDADHO [NH3+]Cc1ccnn1-c1c[nH]cc2ccnc1-2 ZINC001162593297 965063142 /nfs/dbraw/zinc/06/31/42/965063142.db2.gz GGSVYOSBUZLEHU-UHFFFAOYSA-N 1 3 213.244 1.207 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCC(C)(C)F ZINC000698235474 965119359 /nfs/dbraw/zinc/11/93/59/965119359.db2.gz FCSKFQAYLJQWMB-UWVGGRQHSA-N 1 3 202.317 1.855 20 0 BDADHO C[n+]1cccc(N[C@@H]2CNCc3ccsc32)c1 ZINC001163229445 965313353 /nfs/dbraw/zinc/31/33/53/965313353.db2.gz JIIZTDXURMMUDG-GFCCVEGCSA-N 1 3 246.359 1.829 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168414294 965320890 /nfs/dbraw/zinc/32/08/90/965320890.db2.gz DOBFOGKIKFJUOT-HZMBPMFUSA-N 1 3 236.334 1.867 20 0 BDADHO [NH3+]Cc1cccc(N[C@H]2CN3CCC2CC3)n1 ZINC001163395766 965392449 /nfs/dbraw/zinc/39/24/49/965392449.db2.gz VSQIJERZZHGGCP-LBPRGKRZSA-N 1 3 232.331 1.046 20 0 BDADHO CN(CC[NH3+])c1cc(N2CCCC2)ccn1 ZINC001163688205 965505845 /nfs/dbraw/zinc/50/58/45/965505845.db2.gz SOSWVMXZFLXPIA-UHFFFAOYSA-N 1 3 220.320 1.077 20 0 BDADHO Cc1cc2[nH]ccc2c(N(C)CC[NH3+])n1 ZINC001163688314 965509765 /nfs/dbraw/zinc/50/97/65/965509765.db2.gz YNQFWRQPZXLVCK-UHFFFAOYSA-N 1 3 204.277 1.266 20 0 BDADHO Nc1cccc(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205117739 965870003 /nfs/dbraw/zinc/87/00/03/965870003.db2.gz UDVMHCSXGWPXCV-GFCCVEGCSA-N 1 3 219.332 1.582 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000699542216 965955563 /nfs/dbraw/zinc/95/55/63/965955563.db2.gz KUTBNTSAZNBUOH-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1COC[C@@H]1NC[C@H](C)C[NH+]1CCCC1 ZINC000699542216 965955578 /nfs/dbraw/zinc/95/55/78/965955578.db2.gz KUTBNTSAZNBUOH-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CN(c1ncccc1CN1CCCC1)C1C[NH2+]C1 ZINC001165127752 965970428 /nfs/dbraw/zinc/97/04/28/965970428.db2.gz VLKIIXLRMBDBQD-UHFFFAOYSA-N 1 3 246.358 1.085 20 0 BDADHO CN(C)c1ccnc(N2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001165326274 966053441 /nfs/dbraw/zinc/05/34/41/966053441.db2.gz BAXVCGABPRYOSD-GXFFZTMASA-N 1 3 232.331 1.075 20 0 BDADHO Cc1cccc(CN2CCC3(C[NH+](C)C3)CC2)n1 ZINC001204070226 966878959 /nfs/dbraw/zinc/87/89/59/966878959.db2.gz IIJGRYZYJDUDBP-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1cccc(C[NH+]2CCC3(CN(C)C3)CC2)n1 ZINC001204070226 966878963 /nfs/dbraw/zinc/87/89/63/966878963.db2.gz IIJGRYZYJDUDBP-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCSC3)[C@@H]2C1 ZINC001204089818 966888612 /nfs/dbraw/zinc/88/86/12/966888612.db2.gz RKENJFLURRXQGD-XQHKEYJVSA-N 1 3 240.416 1.669 20 0 BDADHO Cc1c(CN2CCC3(C[NH+](C)C3)CC2)cnn1C ZINC001204571693 967056757 /nfs/dbraw/zinc/05/67/57/967056757.db2.gz DEPKCPIXSFMGCY-UHFFFAOYSA-N 1 3 248.374 1.256 20 0 BDADHO C[NH+](C)Cc1ccc(-c2cc(CN)ncn2)cc1 ZINC001204606286 967105064 /nfs/dbraw/zinc/10/50/64/967105064.db2.gz KPLAWTOQSBPJDT-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO CC(=O)OC(C)(C)CCC[N@@H+]1CC[C@@](C)(N)C1 ZINC001204762662 967151700 /nfs/dbraw/zinc/15/17/00/967151700.db2.gz APIPCYXPRRYXOC-CYBMUJFWSA-N 1 3 242.363 1.531 20 0 BDADHO CC(=O)OC(C)(C)CCC[N@H+]1CC[C@@](C)(N)C1 ZINC001204762662 967151708 /nfs/dbraw/zinc/15/17/08/967151708.db2.gz APIPCYXPRRYXOC-CYBMUJFWSA-N 1 3 242.363 1.531 20 0 BDADHO C[NH+](C)C1CCC(n2cncc2CN)CC1 ZINC000715567392 967187360 /nfs/dbraw/zinc/18/73/60/967187360.db2.gz DQNJSQUGUVSBJG-UHFFFAOYSA-N 1 3 222.336 1.387 20 0 BDADHO [NH3+]CCCCN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001204847547 967194579 /nfs/dbraw/zinc/19/45/79/967194579.db2.gz CGGYHVKUNCJOGB-NWDGAFQWSA-N 1 3 224.348 1.559 20 0 BDADHO [NH3+]CC1CCN(Cc2cccc(CF)n2)CC1 ZINC001205047181 967303512 /nfs/dbraw/zinc/30/35/12/967303512.db2.gz QBLXCDZSDJYJCO-UHFFFAOYSA-N 1 3 237.322 1.722 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693704402 967404396 /nfs/dbraw/zinc/40/43/96/967404396.db2.gz LZCBDZQEDYKPSE-FVCCEPFGSA-N 1 3 240.391 1.514 20 0 BDADHO CCOC(=O)CCN1CCC[C@](C)([NH3+])CC1 ZINC001205256533 967444646 /nfs/dbraw/zinc/44/46/46/967444646.db2.gz PEBOZOJSYQRWED-LBPRGKRZSA-N 1 3 228.336 1.143 20 0 BDADHO C[C@@H]1CCNCC[N@@H+]1Cc1cccc(N)c1 ZINC001205332570 967551040 /nfs/dbraw/zinc/55/10/40/967551040.db2.gz RZEONNDFKYGDPQ-LLVKDONJSA-N 1 3 219.332 1.453 20 0 BDADHO C[C@@H]1CCNCC[N@H+]1Cc1cccc(N)c1 ZINC001205332570 967551046 /nfs/dbraw/zinc/55/10/46/967551046.db2.gz RZEONNDFKYGDPQ-LLVKDONJSA-N 1 3 219.332 1.453 20 0 BDADHO CCn1cc(CN2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001205552185 967696303 /nfs/dbraw/zinc/69/63/03/967696303.db2.gz GJNGDPGDRHXQSK-UHFFFAOYSA-N 1 3 248.374 1.431 20 0 BDADHO C[C@@H]1CCN(Cc2ccn(C)n2)CC[C@H]1C[NH3+] ZINC001205603286 967719917 /nfs/dbraw/zinc/71/99/17/967719917.db2.gz NZRKFLIWSASGIE-NEPJUHHUSA-N 1 3 236.363 1.227 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cnoc3)CC2)CC1 ZINC001205724164 967801847 /nfs/dbraw/zinc/80/18/47/967801847.db2.gz HSJYKYNNUAPPJA-UHFFFAOYSA-N 1 3 249.358 1.982 20 0 BDADHO COC1CC(C[N@@H+]2CC[C@@](C)(CN)C2)C1 ZINC000703840835 967877064 /nfs/dbraw/zinc/87/70/64/967877064.db2.gz PDCASQLNDVHPCW-MCIGGMRASA-N 1 3 212.337 1.082 20 0 BDADHO COC1CC(C[N@H+]2CC[C@@](C)(CN)C2)C1 ZINC000703840835 967877065 /nfs/dbraw/zinc/87/70/65/967877065.db2.gz PDCASQLNDVHPCW-MCIGGMRASA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(Cc2cn(C)cn2)CCC[C@H]1C[NH3+] ZINC001205995911 967948175 /nfs/dbraw/zinc/94/81/75/967948175.db2.gz RSGMDVACXMHTGB-NEPJUHHUSA-N 1 3 236.363 1.227 20 0 BDADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)no1 ZINC001205996083 967950287 /nfs/dbraw/zinc/95/02/87/967950287.db2.gz UOEJNXXVKBXDRU-CMPLNLGQSA-N 1 3 237.347 1.790 20 0 BDADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)no1 ZINC001205996084 967951747 /nfs/dbraw/zinc/95/17/47/967951747.db2.gz UOEJNXXVKBXDRU-JQWIXIFHSA-N 1 3 237.347 1.790 20 0 BDADHO C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc([O-])cn2)CC1 ZINC001206317083 968223038 /nfs/dbraw/zinc/22/30/38/968223038.db2.gz CKQWJUYQRGOQAA-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc([O-])cn2)CC1 ZINC001206317083 968223048 /nfs/dbraw/zinc/22/30/48/968223048.db2.gz CKQWJUYQRGOQAA-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO [NH3+]C[C@H]1CN(CCCC2CCCC2)C[C@H]1O ZINC001206456730 968319299 /nfs/dbraw/zinc/31/92/99/968319299.db2.gz OWMMUSMVOXFBCU-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@H]1C[N@H+](CCCC2CCCC2)C[C@H]1O ZINC001206456730 968319306 /nfs/dbraw/zinc/31/93/06/968319306.db2.gz OWMMUSMVOXFBCU-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1O ZINC001206456730 968319311 /nfs/dbraw/zinc/31/93/11/968319311.db2.gz OWMMUSMVOXFBCU-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457948 968319336 /nfs/dbraw/zinc/31/93/36/968319336.db2.gz VPPNACOKRJHPKT-YIYPIFLZSA-N 1 3 238.375 1.230 20 0 BDADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457948 968319345 /nfs/dbraw/zinc/31/93/45/968319345.db2.gz VPPNACOKRJHPKT-YIYPIFLZSA-N 1 3 238.375 1.230 20 0 BDADHO CC[C@@H](O)CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001251799507 968336589 /nfs/dbraw/zinc/33/65/89/968336589.db2.gz AZFNFBSTPQILPC-MELADBBJSA-N 1 3 242.407 1.715 20 0 BDADHO Cc1ccc(C)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512636 968347986 /nfs/dbraw/zinc/34/79/86/968347986.db2.gz RZNGUSAPZJSAPK-KBPBESRZSA-N 1 3 234.343 1.055 20 0 BDADHO CCc1ccccc1CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206524958 968355413 /nfs/dbraw/zinc/35/54/13/968355413.db2.gz CHZREQSRULGTON-KBPBESRZSA-N 1 3 234.343 1.000 20 0 BDADHO COC(=O)CCC[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001206542116 968365400 /nfs/dbraw/zinc/36/54/00/968365400.db2.gz RQXIZSXPBMHLER-ZDUSSCGKSA-N 1 3 242.363 1.391 20 0 BDADHO COC(=O)CCC[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001206542116 968365407 /nfs/dbraw/zinc/36/54/07/968365407.db2.gz RQXIZSXPBMHLER-ZDUSSCGKSA-N 1 3 242.363 1.391 20 0 BDADHO CC(C)[N@H+](CCCCO)[C@H]1CCCNCC1 ZINC001206581559 968399275 /nfs/dbraw/zinc/39/92/75/968399275.db2.gz KFAZPPOFHPRLOF-ZDUSSCGKSA-N 1 3 228.380 1.611 20 0 BDADHO CC(C)[N@@H+](CCCCO)[C@H]1CCCNCC1 ZINC001206581559 968399278 /nfs/dbraw/zinc/39/92/78/968399278.db2.gz KFAZPPOFHPRLOF-ZDUSSCGKSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@@H](O)CN(CC)CCC[NH+](C)C ZINC001252095562 968572371 /nfs/dbraw/zinc/57/23/71/968572371.db2.gz AEWHCFOXIAPXJK-CYBMUJFWSA-N 1 3 230.396 1.811 20 0 BDADHO C[NH+](C)CC1CCN(Cc2cccc(=O)[nH]2)CC1 ZINC001207069826 968599130 /nfs/dbraw/zinc/59/91/30/968599130.db2.gz VUVKZQLFEANMQQ-UHFFFAOYSA-N 1 3 249.358 1.561 20 0 BDADHO CCCC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001252118735 968602542 /nfs/dbraw/zinc/60/25/42/968602542.db2.gz JZJJMEJXDCZPQB-MJBXVCDLSA-N 1 3 242.407 2.000 20 0 BDADHO c1cnc2c(c1)CN(CC1CC[NH2+]CC1)CC2 ZINC001207437639 968770712 /nfs/dbraw/zinc/77/07/12/968770712.db2.gz NBGGZBURWJWZAZ-UHFFFAOYSA-N 1 3 231.343 1.439 20 0 BDADHO Cc1ncc(CN(C)CC2CC[NH2+]CC2)cn1 ZINC001207440856 968772478 /nfs/dbraw/zinc/77/24/78/968772478.db2.gz HXOYGUUDXPOGOY-UHFFFAOYSA-N 1 3 234.347 1.216 20 0 BDADHO C[C@H]1CN(CCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001207479016 968792569 /nfs/dbraw/zinc/79/25/69/968792569.db2.gz ARVUCGYAMMUJLH-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CN(C)Cc1ccnc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001154990942 968842846 /nfs/dbraw/zinc/84/28/46/968842846.db2.gz ZEYQMWSEGNYUGM-QWHCGFSZSA-N 1 3 248.374 1.825 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001207835420 968896927 /nfs/dbraw/zinc/89/69/27/968896927.db2.gz CBQBETLIYSJQOA-FVCCEPFGSA-N 1 3 226.364 1.341 20 0 BDADHO C[NH+]1CCC(C)(CN2CC[C@@](F)(CO)C2)CC1 ZINC001208107885 969002178 /nfs/dbraw/zinc/00/21/78/969002178.db2.gz LKRQXIVKPSKSJM-ZDUSSCGKSA-N 1 3 244.354 1.125 20 0 BDADHO CN(CCF)CC1(C)CC[NH+](C)CC1 ZINC001208114894 969009626 /nfs/dbraw/zinc/00/96/26/969009626.db2.gz DIUAILDEJUOVCO-UHFFFAOYSA-N 1 3 202.317 1.620 20 0 BDADHO COC[C@H]1CC[N@@H+]1CC1(CN(C)C)CCCC1 ZINC001208189043 969119825 /nfs/dbraw/zinc/11/98/25/969119825.db2.gz PUMSRAHUSXEJMA-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H]1CC[N@H+]1CC1(CN(C)C)CCCC1 ZINC001208189043 969119829 /nfs/dbraw/zinc/11/98/29/969119829.db2.gz PUMSRAHUSXEJMA-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CC[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001208592002 969146864 /nfs/dbraw/zinc/14/68/64/969146864.db2.gz AJWVIFHIQYJRAH-OKILXGFUSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253406349 969164146 /nfs/dbraw/zinc/16/41/46/969164146.db2.gz HZBGLDAJAINYHJ-AVGNSLFASA-N 1 3 242.407 1.904 20 0 BDADHO c1cc(N2CC[NH2+]CC2)cc(C2=CCOCC2)n1 ZINC001242075724 969199094 /nfs/dbraw/zinc/19/90/94/969199094.db2.gz FWWOUEPMWYFHSY-UHFFFAOYSA-N 1 3 245.326 1.295 20 0 BDADHO CCc1cc(-n2cc(CC[NH3+])cn2)ccn1 ZINC001168952676 969292732 /nfs/dbraw/zinc/29/27/32/969292732.db2.gz OVIIOGHMFMTCNO-UHFFFAOYSA-N 1 3 216.288 1.331 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCCc3cccnc3)C[C@H]2C1 ZINC001209181840 969374927 /nfs/dbraw/zinc/37/49/27/969374927.db2.gz GWEDPULMYNDOGE-GASCZTMLSA-N 1 3 245.370 1.508 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCCc3cccnc3)C[C@H]2C1 ZINC001209181840 969374931 /nfs/dbraw/zinc/37/49/31/969374931.db2.gz GWEDPULMYNDOGE-GASCZTMLSA-N 1 3 245.370 1.508 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc(CN)c1)C2 ZINC001169080394 969404314 /nfs/dbraw/zinc/40/43/14/969404314.db2.gz NBWHFIPMQDOVOB-GDNZZTSVSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc(CN)c1)C2 ZINC001169080394 969404321 /nfs/dbraw/zinc/40/43/21/969404321.db2.gz NBWHFIPMQDOVOB-GDNZZTSVSA-N 1 3 220.320 1.140 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCOCC1(C)C)C2 ZINC001169139623 969443550 /nfs/dbraw/zinc/44/35/50/969443550.db2.gz CBTDLVSNKXPDTE-CLLJXQQHSA-N 1 3 238.375 1.722 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCOCC1(C)C)C2 ZINC001169139623 969443557 /nfs/dbraw/zinc/44/35/57/969443557.db2.gz CBTDLVSNKXPDTE-CLLJXQQHSA-N 1 3 238.375 1.722 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC(N3CCCC3)C1)C2 ZINC001169141031 969452044 /nfs/dbraw/zinc/45/20/44/969452044.db2.gz OCTWARQGARGUEN-WDNDVIMCSA-N 1 3 249.402 1.392 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC(N3CCCC3)C1)C2 ZINC001169141031 969452047 /nfs/dbraw/zinc/45/20/47/969452047.db2.gz OCTWARQGARGUEN-WDNDVIMCSA-N 1 3 249.402 1.392 20 0 BDADHO C[C@H](N)c1ccn(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC001169232356 969511136 /nfs/dbraw/zinc/51/11/36/969511136.db2.gz DTOBGUPJLFKCCB-UWVGGRQHSA-N 1 3 230.315 1.912 20 0 BDADHO C[C@@H](N)c1ccn(-c2ccc(C3([NH3+])CC3)cc2)n1 ZINC001169232707 969514748 /nfs/dbraw/zinc/51/47/48/969514748.db2.gz ITMXILHOBIOBKL-SNVBAGLBSA-N 1 3 242.326 1.840 20 0 BDADHO NCc1cnnn1-c1ccc(C2([NH3+])CCC2)cc1 ZINC001169310214 969583942 /nfs/dbraw/zinc/58/39/42/969583942.db2.gz PRPZLDRUQGSNKS-UHFFFAOYSA-N 1 3 243.314 1.064 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001169446530 969638674 /nfs/dbraw/zinc/63/86/74/969638674.db2.gz IPNIJAGYMFSZLK-NWDGAFQWSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001169446530 969638680 /nfs/dbraw/zinc/63/86/80/969638680.db2.gz IPNIJAGYMFSZLK-NWDGAFQWSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001169446530 969638686 /nfs/dbraw/zinc/63/86/86/969638686.db2.gz IPNIJAGYMFSZLK-NWDGAFQWSA-N 1 3 243.395 1.160 20 0 BDADHO Cc1cc(CN)nn1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254499936 969659920 /nfs/dbraw/zinc/65/99/20/969659920.db2.gz QKBZQNFDNCVKGG-GFCCVEGCSA-N 1 3 222.336 1.307 20 0 BDADHO Cc1cc(CN)nn1[C@@H]1CCC[N@H+](C)CC1 ZINC001254499936 969659930 /nfs/dbraw/zinc/65/99/30/969659930.db2.gz QKBZQNFDNCVKGG-GFCCVEGCSA-N 1 3 222.336 1.307 20 0 BDADHO CN1CCC[C@H]([NH2+]Cc2ccccc2CO)CC1 ZINC001254502015 969665223 /nfs/dbraw/zinc/66/52/23/969665223.db2.gz AZZKCEJMOYEMET-HNNXBMFYSA-N 1 3 248.370 1.753 20 0 BDADHO CN1CCC[C@@H]([NH2+]Cc2ccccc2CO)CC1 ZINC001254502020 969665537 /nfs/dbraw/zinc/66/55/37/969665537.db2.gz AZZKCEJMOYEMET-OAHLLOKOSA-N 1 3 248.370 1.753 20 0 BDADHO CN(C[C@H]1CCCCO1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522582 969709252 /nfs/dbraw/zinc/70/92/52/969709252.db2.gz HKIXQACJLYXNDO-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C[C@H]1CCCCO1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522582 969709259 /nfs/dbraw/zinc/70/92/59/969709259.db2.gz HKIXQACJLYXNDO-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO NCc1cc(NCC[C@H]2CCC[NH2+]2)ccn1 ZINC001169568109 969766871 /nfs/dbraw/zinc/76/68/71/969766871.db2.gz QXNANFLPLWNBER-SNVBAGLBSA-N 1 3 220.320 1.094 20 0 BDADHO CN1CC[C@@H]([N@H+](C)[C@H]2CC3CCN(CC3)C2)C1 ZINC001254859129 969810956 /nfs/dbraw/zinc/81/09/56/969810956.db2.gz BVDIFLXHDVKWDS-KGLIPLIRSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CC[C@@H]([N@@H+](C)[C@H]2CC3CCN(CC3)C2)C1 ZINC001254859129 969810958 /nfs/dbraw/zinc/81/09/58/969810958.db2.gz BVDIFLXHDVKWDS-KGLIPLIRSA-N 1 3 237.391 1.107 20 0 BDADHO CC(C)(C[NH3+])NC1Cc2ccccc2C1 ZINC001255012254 969844278 /nfs/dbraw/zinc/84/42/78/969844278.db2.gz SGHPOAPCXQLARM-UHFFFAOYSA-N 1 3 204.317 1.481 20 0 BDADHO CC(C)[N@H+](CCCN)C1CCSCC1 ZINC001255080137 969873754 /nfs/dbraw/zinc/87/37/54/969873754.db2.gz CEXDLKGMBFYYLM-UHFFFAOYSA-N 1 3 216.394 1.941 20 0 BDADHO CC(C)[N@@H+](CCCN)C1CCSCC1 ZINC001255080137 969873755 /nfs/dbraw/zinc/87/37/55/969873755.db2.gz CEXDLKGMBFYYLM-UHFFFAOYSA-N 1 3 216.394 1.941 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255287147 970042515 /nfs/dbraw/zinc/04/25/15/970042515.db2.gz VRRNQLFCKNCYJS-WOPDTQHZSA-N 1 3 226.389 1.375 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCSC3)C[C@@H]2C1 ZINC001255287147 970042520 /nfs/dbraw/zinc/04/25/20/970042520.db2.gz VRRNQLFCKNCYJS-WOPDTQHZSA-N 1 3 226.389 1.375 20 0 BDADHO CN(C)Cc1ccc(N(C)C(C)(C)C[NH3+])nc1 ZINC001170056207 970096811 /nfs/dbraw/zinc/09/68/11/970096811.db2.gz QSIHVGHPXQBBOF-UHFFFAOYSA-N 1 3 236.363 1.317 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCCN(C)C ZINC001255940082 970571328 /nfs/dbraw/zinc/57/13/28/970571328.db2.gz OBSSXYIKGKYHPO-GFCCVEGCSA-N 1 3 215.385 1.258 20 0 BDADHO CN1CC(CNc2ccc3c(c2)C[NH2+]C3)C1 ZINC001170254490 970670811 /nfs/dbraw/zinc/67/08/11/970670811.db2.gz NIIPIDFEMGXQLC-UHFFFAOYSA-N 1 3 217.316 1.263 20 0 BDADHO COc1cccc(C[C@H](C)NC2CC([NH3+])C2)c1 ZINC001256150430 970674862 /nfs/dbraw/zinc/67/48/62/970674862.db2.gz HDNLHHFRDLNKNC-PKSQDBQZSA-N 1 3 234.343 1.706 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]C2CC(N)C2)c1 ZINC001256150430 970674872 /nfs/dbraw/zinc/67/48/72/970674872.db2.gz HDNLHHFRDLNKNC-PKSQDBQZSA-N 1 3 234.343 1.706 20 0 BDADHO C[NH+]1CCC(N2CCC[C@@H](n3ccnn3)C2)CC1 ZINC001256209218 970712512 /nfs/dbraw/zinc/71/25/12/970712512.db2.gz PJYURKYLEHZJCQ-CYBMUJFWSA-N 1 3 249.362 1.009 20 0 BDADHO CN1CCC[C@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664828 970714893 /nfs/dbraw/zinc/71/48/93/970714893.db2.gz WRIYDOFOUIUCMQ-DGCLKSJQSA-N 1 3 248.374 1.719 20 0 BDADHO C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664828 970714900 /nfs/dbraw/zinc/71/49/00/970714900.db2.gz WRIYDOFOUIUCMQ-DGCLKSJQSA-N 1 3 248.374 1.719 20 0 BDADHO C[N@H+]1CCC[C@H](CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664828 970714906 /nfs/dbraw/zinc/71/49/06/970714906.db2.gz WRIYDOFOUIUCMQ-DGCLKSJQSA-N 1 3 248.374 1.719 20 0 BDADHO Cc1ncccc1CN1CCC(F)(C[NH3+])CC1 ZINC001222531953 972545396 /nfs/dbraw/zinc/54/53/96/972545396.db2.gz GUEYSRXRHPEXMW-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO COC(=O)CC[C@@H](C)N1CCC[C@](C)([NH3+])CC1 ZINC001246548331 972680927 /nfs/dbraw/zinc/68/09/27/972680927.db2.gz FXUDATRRRYWLJT-YPMHNXCESA-N 1 3 242.363 1.531 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](O)[C@@H](C)CC2)CCN1 ZINC001246551913 972730400 /nfs/dbraw/zinc/73/04/00/972730400.db2.gz NVVWNFMKJMAQBY-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](O)[C@@H](C)CC2)CCN1 ZINC001246551913 972730410 /nfs/dbraw/zinc/73/04/10/972730410.db2.gz NVVWNFMKJMAQBY-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)([NH3+])CNc1ccc2c(c1)COC21CNC1 ZINC001171193668 972845377 /nfs/dbraw/zinc/84/53/77/972845377.db2.gz DTMZEYWGAOGCII-UHFFFAOYSA-N 1 3 247.342 1.165 20 0 BDADHO C1C[C@]2(CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)O1 ZINC001246828701 973118319 /nfs/dbraw/zinc/11/83/19/973118319.db2.gz FXKQSGACSLEXBX-PIGZVRMJSA-N 1 3 236.359 1.524 20 0 BDADHO CC[C@H](N)C[N@@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119982 973457683 /nfs/dbraw/zinc/45/76/83/973457683.db2.gz WDEPRIADUISTSD-OBJOEFQTSA-N 1 3 245.370 1.865 20 0 BDADHO CC[C@H](N)C[N@H+]1C[C@@H]2CNc3ccccc3[C@H]2C1 ZINC001224119982 973457698 /nfs/dbraw/zinc/45/76/98/973457698.db2.gz WDEPRIADUISTSD-OBJOEFQTSA-N 1 3 245.370 1.865 20 0 BDADHO [NH3+]CCCCNC(=O)C[C@H]1NCc2ccccc21 ZINC001329923969 974025941 /nfs/dbraw/zinc/02/59/41/974025941.db2.gz NGQMSDKTCDHZSH-CYBMUJFWSA-N 1 3 247.342 1.076 20 0 BDADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@H](O)C2)CC1(C)C ZINC001171621093 974114532 /nfs/dbraw/zinc/11/45/32/974114532.db2.gz JSDAWTCJZQVIJD-UMSPYCQHSA-N 1 3 240.391 1.751 20 0 BDADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@H](O)C2)CC1(C)C ZINC001171621093 974114538 /nfs/dbraw/zinc/11/45/38/974114538.db2.gz JSDAWTCJZQVIJD-UMSPYCQHSA-N 1 3 240.391 1.751 20 0 BDADHO C[C@@H](CO)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171618003 974115873 /nfs/dbraw/zinc/11/58/73/974115873.db2.gz TZJAWRAZBLSJFE-JTQLQIEISA-N 1 3 228.380 1.608 20 0 BDADHO C[C@@H](CO)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171618003 974115883 /nfs/dbraw/zinc/11/58/83/974115883.db2.gz TZJAWRAZBLSJFE-JTQLQIEISA-N 1 3 228.380 1.608 20 0 BDADHO Cn1cncc1C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172099459 974336666 /nfs/dbraw/zinc/33/66/66/974336666.db2.gz IAKYWOJILNKNLX-CLLJXQQHSA-N 1 3 248.374 1.525 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1CN)C2 ZINC001172100437 974346568 /nfs/dbraw/zinc/34/65/68/974346568.db2.gz QNSOTPVUECKHKF-ZSBIGDGJSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1CN)C2 ZINC001172100437 974346579 /nfs/dbraw/zinc/34/65/79/974346579.db2.gz QNSOTPVUECKHKF-ZSBIGDGJSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(CN)c1)C2 ZINC001172099888 974347127 /nfs/dbraw/zinc/34/71/27/974347127.db2.gz NTEODASJHDDZML-ITGUQSILSA-N 1 3 234.347 1.530 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cnc(CN)c1)C2 ZINC001172099888 974347131 /nfs/dbraw/zinc/34/71/31/974347131.db2.gz NTEODASJHDDZML-ITGUQSILSA-N 1 3 234.347 1.530 20 0 BDADHO CN1CC2(C1)CN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)C2 ZINC001172132896 974357073 /nfs/dbraw/zinc/35/70/73/974357073.db2.gz PWKQNCIMJUODRV-BTTYYORXSA-N 1 3 249.402 1.249 20 0 BDADHO CN1CC2(C1)CN([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172132896 974357081 /nfs/dbraw/zinc/35/70/81/974357081.db2.gz PWKQNCIMJUODRV-BTTYYORXSA-N 1 3 249.402 1.249 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(CO)C1)C2 ZINC001172120038 974385488 /nfs/dbraw/zinc/38/54/88/974385488.db2.gz JEKHNKAIZKKRNK-ITGUQSILSA-N 1 3 238.375 1.316 20 0 BDADHO COCCC[NH+]1CCC(N2CC[C@@H]2C)CC1 ZINC001172252941 974512232 /nfs/dbraw/zinc/51/22/32/974512232.db2.gz XPTSHUOFJDEVMV-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO CCOCC[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC001172409869 974670936 /nfs/dbraw/zinc/67/09/36/974670936.db2.gz ALKCRLYXKFYOHK-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO Cc1cccnc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206165554 974876076 /nfs/dbraw/zinc/87/60/76/974876076.db2.gz OANWUIQGHXVKNB-NEPJUHHUSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cccnc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206165554 974876082 /nfs/dbraw/zinc/87/60/82/974876082.db2.gz OANWUIQGHXVKNB-NEPJUHHUSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cccnc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206165557 974876761 /nfs/dbraw/zinc/87/67/61/974876761.db2.gz OANWUIQGHXVKNB-VXGBXAGGSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cccnc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206165557 974876767 /nfs/dbraw/zinc/87/67/67/974876767.db2.gz OANWUIQGHXVKNB-VXGBXAGGSA-N 1 3 237.322 1.651 20 0 BDADHO CC1(C)CC(N[C@@H]2C[C@H]2[NH3+])CC(C)(C)O1 ZINC001172648846 974894959 /nfs/dbraw/zinc/89/49/59/974894959.db2.gz BPAJQEMODDNHNS-NXEZZACHSA-N 1 3 212.337 1.412 20 0 BDADHO Cc1[nH+]cn(-c2ccc3nccn3c2)c1N ZINC001174278752 976512856 /nfs/dbraw/zinc/51/28/56/976512856.db2.gz STUKUPACYFKVCV-UHFFFAOYSA-N 1 3 213.244 1.411 20 0 BDADHO CSC[C@@H](O)CNC[C@H]1CCCC[N@H+](C)C1 ZINC001335433196 977057271 /nfs/dbraw/zinc/05/72/71/977057271.db2.gz RWNLROOTPBGSLK-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@@H](O)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC001335433196 977057261 /nfs/dbraw/zinc/05/72/61/977057261.db2.gz RWNLROOTPBGSLK-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO C[NH+](C)[C@@H]1C[C@@H](NC[C@@H](O)C2CC2)C12CCC2 ZINC001336051178 977460023 /nfs/dbraw/zinc/46/00/23/977460023.db2.gz NHDZLLOVCRIHIN-JHJVBQTASA-N 1 3 238.375 1.220 20 0 BDADHO C[N@@H+]1C[C@@H]2CCN(c3ccncc3)[C@@H]2C1 ZINC001277693469 978204312 /nfs/dbraw/zinc/20/43/12/978204312.db2.gz IBCBMVYBAZORAD-CMPLNLGQSA-N 1 3 203.289 1.222 20 0 BDADHO C[N@H+]1C[C@@H]2CCN(c3ccncc3)[C@@H]2C1 ZINC001277693469 978204328 /nfs/dbraw/zinc/20/43/28/978204328.db2.gz IBCBMVYBAZORAD-CMPLNLGQSA-N 1 3 203.289 1.222 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C)C2)C1 ZINC000328202058 978205033 /nfs/dbraw/zinc/20/50/33/978205033.db2.gz SEEPTPOQGYXJDX-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[NH2+][C@@]12CC[C@@](Nc3cncn3C)(C1)CCC2 ZINC001277765962 978472851 /nfs/dbraw/zinc/47/28/51/978472851.db2.gz YOLIJTXRDLWFKJ-QWHCGFSZSA-N 1 3 234.347 1.897 20 0 BDADHO [NH3+]C[C@@]1(F)CCCCN(CCC2CC2)C1 ZINC001206337323 978601636 /nfs/dbraw/zinc/60/16/36/978601636.db2.gz TTXKQTBUQUVJBW-LBPRGKRZSA-N 1 3 214.328 1.939 20 0 BDADHO OCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994263 978945433 /nfs/dbraw/zinc/94/54/33/978945433.db2.gz RGDVBSOQXGOYMA-CYBMUJFWSA-N 1 3 226.364 1.225 20 0 BDADHO OCCCCC[N@@H+]1CCCC12CCNCC2 ZINC001235139954 978981791 /nfs/dbraw/zinc/98/17/91/978981791.db2.gz FNDPPUVUHKOVMI-UHFFFAOYSA-N 1 3 226.364 1.367 20 0 BDADHO c1n[nH]cc1CN1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235230471 979000172 /nfs/dbraw/zinc/00/01/72/979000172.db2.gz CFKXAIUJQZHAEZ-AWEZNQCLSA-N 1 3 248.374 1.764 20 0 BDADHO OCCCCC[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235400441 979035517 /nfs/dbraw/zinc/03/55/17/979035517.db2.gz CZEYOMUXEVVLRL-CHWSQXEVSA-N 1 3 244.354 1.173 20 0 BDADHO c1ccc([C@H]2CN(C[C@@H]3CCC[NH2+]3)CCN2)cc1 ZINC001235858992 979172397 /nfs/dbraw/zinc/17/23/97/979172397.db2.gz KSMKFWWWOFINAG-LSDHHAIUSA-N 1 3 245.370 1.385 20 0 BDADHO CN(C)C1(C)CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235902019 979192383 /nfs/dbraw/zinc/19/23/83/979192383.db2.gz TXUOJCAPGNMMOA-CQSZACIVSA-N 1 3 247.386 1.192 20 0 BDADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1CCO ZINC001235973949 979242978 /nfs/dbraw/zinc/24/29/78/979242978.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1CCO ZINC001235973949 979242993 /nfs/dbraw/zinc/24/29/93/979242993.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1CCO ZINC001235973949 979243003 /nfs/dbraw/zinc/24/30/03/979243003.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1CCO ZINC001235973949 979243017 /nfs/dbraw/zinc/24/30/17/979243017.db2.gz QITPYDRMDQSLPL-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977275 979244389 /nfs/dbraw/zinc/24/43/89/979244389.db2.gz FZRVTKFCGOSMNG-KGLIPLIRSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977275 979244403 /nfs/dbraw/zinc/24/44/03/979244403.db2.gz FZRVTKFCGOSMNG-KGLIPLIRSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996366 979291247 /nfs/dbraw/zinc/29/12/47/979291247.db2.gz XHSLSAGDRSZMDR-IUODEOHRSA-N 1 3 243.354 1.578 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996366 979291258 /nfs/dbraw/zinc/29/12/58/979291258.db2.gz XHSLSAGDRSZMDR-IUODEOHRSA-N 1 3 243.354 1.578 20 0 BDADHO CCc1ccccc1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474502 979386344 /nfs/dbraw/zinc/38/63/44/979386344.db2.gz CHZREQSRULGTON-UONOGXRCSA-N 1 3 234.343 1.000 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459090 979413942 /nfs/dbraw/zinc/41/39/42/979413942.db2.gz WPEXPODZOZEVJK-NOOOWODRSA-N 1 3 241.379 1.007 20 0 BDADHO C[N@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@H]1N ZINC001236216901 979454984 /nfs/dbraw/zinc/45/49/84/979454984.db2.gz MBURJDBZIBZRHD-KGLIPLIRSA-N 1 3 233.359 1.971 20 0 BDADHO C[N@@H+](Cc1cccc(N)c1)[C@H]1CCCC[C@H]1N ZINC001236216901 979454991 /nfs/dbraw/zinc/45/49/91/979454991.db2.gz MBURJDBZIBZRHD-KGLIPLIRSA-N 1 3 233.359 1.971 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC001341594738 979484512 /nfs/dbraw/zinc/48/45/12/979484512.db2.gz ROHWDKYAIUTFCC-WOPDTQHZSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001341670047 979519757 /nfs/dbraw/zinc/51/97/57/979519757.db2.gz BRVVHFCOXJAZAF-CMPLNLGQSA-N 1 3 249.358 1.847 20 0 BDADHO Cc1c[nH]c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)n1 ZINC001236315661 979527718 /nfs/dbraw/zinc/52/77/18/979527718.db2.gz MIOUIEZDFKKFBF-TXEJJXNPSA-N 1 3 234.347 1.150 20 0 BDADHO CCn1ccnc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317336 979528507 /nfs/dbraw/zinc/52/85/07/979528507.db2.gz VTRNYWLRUHANHH-BETUJISGSA-N 1 3 248.374 1.334 20 0 BDADHO Fc1ncccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236317474 979533509 /nfs/dbraw/zinc/53/35/09/979533509.db2.gz YARSVIXWCGZDHV-TXEJJXNPSA-N 1 3 249.333 1.652 20 0 BDADHO C(C[NH2+]C1CCCCC1)CN1CCNC1 ZINC001236842854 979751788 /nfs/dbraw/zinc/75/17/88/979751788.db2.gz BHZRJFOVDIGLNP-UHFFFAOYSA-N 1 3 211.353 1.162 20 0 BDADHO CO[C@@H]1CN(C[C@@H]2CCC(C)=C[C@H]2C)C[C@@H]1[NH3+] ZINC001237101495 979815109 /nfs/dbraw/zinc/81/51/09/979815109.db2.gz GDUVAGMUBSMJMU-ZOBORPQBSA-N 1 3 238.375 1.637 20 0 BDADHO CCC1(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)COC1 ZINC001237376076 979879376 /nfs/dbraw/zinc/87/93/76/979879376.db2.gz OPGQHGWMTMTZAU-STQMWFEESA-N 1 3 238.375 1.487 20 0 BDADHO CCC[C@@H](CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)OC ZINC001184066063 979929670 /nfs/dbraw/zinc/92/96/70/979929670.db2.gz KOJHDTFSLNOKFP-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO CCC[C@@H](CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)OC ZINC001184066063 979929663 /nfs/dbraw/zinc/92/96/63/979929663.db2.gz KOJHDTFSLNOKFP-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc2c1CNC2 ZINC001344590160 980439041 /nfs/dbraw/zinc/43/90/41/980439041.db2.gz JXXUZCRZTDENTJ-GXSJLCMTSA-N 1 3 245.326 1.226 20 0 BDADHO O[C@@H]1C[NH2+]CC[C@@H]1NC[C@@H]1C[C@H]1c1ccccc1 ZINC001580879766 981678654 /nfs/dbraw/zinc/67/86/54/981678654.db2.gz FBHHYIIDJCXKFL-ZQDZILKHSA-N 1 3 246.354 1.103 20 0 BDADHO c1csc(CNC[C@@H]2CCC[NH2+]CC2)n1 ZINC001580897213 981715747 /nfs/dbraw/zinc/71/57/47/981715747.db2.gz JZMRJJTUTRGQBL-SNVBAGLBSA-N 1 3 225.361 1.622 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(c3ccncc3)C[C@@H]21 ZINC001354029100 983117042 /nfs/dbraw/zinc/11/70/42/983117042.db2.gz NAHSALFMPALLJN-PWSUYJOCSA-N 1 3 203.289 1.222 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(c3ccncc3)C[C@@H]21 ZINC001354029100 983117043 /nfs/dbraw/zinc/11/70/43/983117043.db2.gz NAHSALFMPALLJN-PWSUYJOCSA-N 1 3 203.289 1.222 20 0 BDADHO [NH3+][C@H](CC(=O)Nc1cccc2c1CNC2)C1CC1 ZINC001354661166 983340660 /nfs/dbraw/zinc/34/06/60/983340660.db2.gz SUNHOCYZUQQUSU-GFCCVEGCSA-N 1 3 245.326 1.356 20 0 BDADHO CSCCCN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201696752 983406555 /nfs/dbraw/zinc/40/65/55/983406555.db2.gz QMDGOPJALFEMKP-VXGBXAGGSA-N 1 3 228.405 1.623 20 0 BDADHO CC(C)(N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001357990455 983811235 /nfs/dbraw/zinc/81/12/35/983811235.db2.gz JVCOUNVRACLQQE-JTQLQIEISA-N 1 3 247.342 1.203 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](C)[C@H]1COc2ccccc2C1 ZINC001577124439 984191054 /nfs/dbraw/zinc/19/10/54/984191054.db2.gz APPQYBVDUPVGFO-YUTCNCBUSA-N 1 3 248.370 1.953 20 0 BDADHO CC[N@H+](CC[C@@H]1CCOC1=O)C1CCNCC1 ZINC001577713285 984650553 /nfs/dbraw/zinc/65/05/53/984650553.db2.gz WCSDVYGIFAICMT-LLVKDONJSA-N 1 3 240.347 1.014 20 0 BDADHO CC[N@@H+](CC[C@@H]1CCOC1=O)C1CCNCC1 ZINC001577713285 984650565 /nfs/dbraw/zinc/65/05/65/984650565.db2.gz WCSDVYGIFAICMT-LLVKDONJSA-N 1 3 240.347 1.014 20 0 BDADHO CCN(CC[C@@H]1CCOC1=O)C1CC[NH2+]CC1 ZINC001577713285 984650582 /nfs/dbraw/zinc/65/05/82/984650582.db2.gz WCSDVYGIFAICMT-LLVKDONJSA-N 1 3 240.347 1.014 20 0 BDADHO CC[N@H+](CCSC)C[C@@H](N)CCOC ZINC001577728838 984684215 /nfs/dbraw/zinc/68/42/15/984684215.db2.gz SGDJQTGWUXAVGO-JTQLQIEISA-N 1 3 220.382 1.035 20 0 BDADHO CC[N@@H+](CCSC)C[C@@H](N)CCOC ZINC001577728838 984684239 /nfs/dbraw/zinc/68/42/39/984684239.db2.gz SGDJQTGWUXAVGO-JTQLQIEISA-N 1 3 220.382 1.035 20 0 BDADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccnnc1)CC2 ZINC001275882429 984714394 /nfs/dbraw/zinc/71/43/94/984714394.db2.gz OLWBKJITMIGLMI-UHFFFAOYSA-N 1 3 246.358 1.394 20 0 BDADHO C[N@H+]1CCC2(C1)CCN(Cc1ccnnc1)CC2 ZINC001275882429 984714428 /nfs/dbraw/zinc/71/44/28/984714428.db2.gz OLWBKJITMIGLMI-UHFFFAOYSA-N 1 3 246.358 1.394 20 0 BDADHO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001578148743 984854285 /nfs/dbraw/zinc/85/42/85/984854285.db2.gz IICCQQUECROYQN-OJLPPKNESA-N 1 3 248.307 1.789 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC001578161025 984864630 /nfs/dbraw/zinc/86/46/30/984864630.db2.gz IOSKBTZDDZYBLG-KKOKHZNYSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CCCN(CC)C1 ZINC001578241588 984896272 /nfs/dbraw/zinc/89/62/72/984896272.db2.gz CXLJGVKQATZSRK-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO CN(CCCCCCC[NH3+])[C@H]1CCN(C)C1=O ZINC001578524810 985149511 /nfs/dbraw/zinc/14/95/11/985149511.db2.gz JLCZQEZWTLLBIT-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CN1CCC[C@H]1C[NH2+]C[C@H](N)CCC(C)(C)C ZINC001578530213 985159246 /nfs/dbraw/zinc/15/92/46/985159246.db2.gz BYYRSXQVFYJPDR-OLZOCXBDSA-N 1 3 241.423 1.824 20 0 BDADHO CNC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC001578653698 985269218 /nfs/dbraw/zinc/26/92/18/985269218.db2.gz CFNSYNXCCFWOMY-QEJZJMRPSA-N 1 3 248.370 1.650 20 0 BDADHO CNC[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC001578653698 985269230 /nfs/dbraw/zinc/26/92/30/985269230.db2.gz CFNSYNXCCFWOMY-QEJZJMRPSA-N 1 3 248.370 1.650 20 0 BDADHO C[NH2+]C[C@H](O)CN1C[C@@H](C)C[C@H]1c1ccccc1 ZINC001578653698 985269243 /nfs/dbraw/zinc/26/92/43/985269243.db2.gz CFNSYNXCCFWOMY-QEJZJMRPSA-N 1 3 248.370 1.650 20 0 BDADHO CNC[C@H](O)C[NH+]1CCC(CC(C)C)CC1 ZINC001578654513 985275203 /nfs/dbraw/zinc/27/52/03/985275203.db2.gz RJYMLUPRVRECHZ-ZDUSSCGKSA-N 1 3 228.380 1.325 20 0 BDADHO COC(=O)CCN(C[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC001578804911 985377936 /nfs/dbraw/zinc/37/79/36/985377936.db2.gz MOWJUSJEUJVUKU-NEPJUHHUSA-N 1 3 242.363 1.115 20 0 BDADHO COC1(CN2CC[C@@H]3CC[C@@]32C[NH3+])CCC1 ZINC001578926745 985528619 /nfs/dbraw/zinc/52/86/19/985528619.db2.gz MTWYQJCAQXAXQU-WCQYABFASA-N 1 3 224.348 1.369 20 0 BDADHO CO[C@@H]1C[C@H](NC(C)(C)C[NH3+])C12CCC2 ZINC001578936363 985542792 /nfs/dbraw/zinc/54/27/92/985542792.db2.gz RAKDUNYFBWLVLK-VHSXEESVSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000688053119 985544248 /nfs/dbraw/zinc/54/42/48/985544248.db2.gz MKVUHGXBWCVSCV-NDBYEHHHSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000688053119 985544281 /nfs/dbraw/zinc/54/42/81/985544281.db2.gz MKVUHGXBWCVSCV-NDBYEHHHSA-N 1 3 224.348 1.238 20 0 BDADHO CO[C@@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)C12CCC2 ZINC001578935837 985546096 /nfs/dbraw/zinc/54/60/96/985546096.db2.gz LHACVNJMVCAWTD-GWOFURMSSA-N 1 3 210.321 1.023 20 0 BDADHO COCC(C)(C)C[NH2+]CC1(CN)CCC1 ZINC001578955928 985577268 /nfs/dbraw/zinc/57/72/68/985577268.db2.gz YJZPPCZWAZHVFD-UHFFFAOYSA-N 1 3 214.353 1.378 20 0 BDADHO COC[C@H](CC1CCOCC1)NC(C)(C)C[NH3+] ZINC001578960365 985578110 /nfs/dbraw/zinc/57/81/10/985578110.db2.gz GJFIPAVEDJPVJL-LBPRGKRZSA-N 1 3 244.379 1.145 20 0 BDADHO CSC(C)(C)C[C@H](C)N[C@@H]1COC[C@H]1[NH3+] ZINC001258323256 985805592 /nfs/dbraw/zinc/80/55/92/985805592.db2.gz FOYBBFCOGLEXFQ-IVZWLZJFSA-N 1 3 232.393 1.222 20 0 BDADHO COc1cc(CCNC[C@@]2(C)CC[NH2+]C2)ccn1 ZINC001579150580 985816874 /nfs/dbraw/zinc/81/68/74/985816874.db2.gz ODSIYJNVEVYDIF-CQSZACIVSA-N 1 3 249.358 1.222 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@H]1CCCC[C@H]1O ZINC001579454713 985946888 /nfs/dbraw/zinc/94/68/88/985946888.db2.gz XMGIJTUYPUXTQP-YIYPIFLZSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@]12C[C@H]1COC21CCC1 ZINC001579460662 985953107 /nfs/dbraw/zinc/95/31/07/985953107.db2.gz DSVPEWXHUDMYNM-OWTLIXCDSA-N 1 3 236.359 1.143 20 0 BDADHO Cc1cc(CNC[C@@H](C)C[NH3+])cc(C)n1 ZINC001579600908 986111544 /nfs/dbraw/zinc/11/15/44/986111544.db2.gz DMNRLGIBQBEGJR-VIFPVBQESA-N 1 3 207.321 1.383 20 0 BDADHO Cc1ccc(CNC/C=C/C[NH3+])c(F)c1 ZINC001579696719 986189531 /nfs/dbraw/zinc/18/95/31/986189531.db2.gz BKJUKXPAPCSXLL-NSCUHMNNSA-N 1 3 208.280 1.739 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001461829128 986195662 /nfs/dbraw/zinc/19/56/62/986195662.db2.gz KTWUGHDCQMHURJ-RWMBFGLXSA-N 1 3 240.391 1.589 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccnc1N ZINC001462203699 986309645 /nfs/dbraw/zinc/30/96/45/986309645.db2.gz QZNMHGSXYIKHIE-AAEUAGOBSA-N 1 3 248.374 1.436 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccnc1N ZINC001462203699 986309654 /nfs/dbraw/zinc/30/96/54/986309654.db2.gz QZNMHGSXYIKHIE-AAEUAGOBSA-N 1 3 248.374 1.436 20 0 BDADHO NCC1(C[NH2+]C[C@H](CO)CC2CC2)CCC1 ZINC001580244442 986695904 /nfs/dbraw/zinc/69/59/04/986695904.db2.gz XCLCOUXADBGTDL-GFCCVEGCSA-N 1 3 226.364 1.114 20 0 BDADHO [NH3+]CC1(CN2CC(C3CCCC3)C2)CC1 ZINC001580243982 986697034 /nfs/dbraw/zinc/69/70/34/986697034.db2.gz NILRRNPOVBGVDP-UHFFFAOYSA-N 1 3 208.349 1.847 20 0 BDADHO NCC1(C[NH2+][C@H](CCO)Cc2ccccc2)CC1 ZINC001580243312 986698398 /nfs/dbraw/zinc/69/83/98/986698398.db2.gz BJOXTIBYFLTBGE-CQSZACIVSA-N 1 3 248.370 1.309 20 0 BDADHO [NH3+]CC1(CN[C@H](CCO)Cc2ccccc2)CC1 ZINC001580243312 986698409 /nfs/dbraw/zinc/69/84/09/986698409.db2.gz BJOXTIBYFLTBGE-CQSZACIVSA-N 1 3 248.370 1.309 20 0 BDADHO [NH3+]C[C@]12CN(Cc3cnc[nH]3)C[C@H]1CCCC2 ZINC001580256901 986710201 /nfs/dbraw/zinc/71/02/01/986710201.db2.gz ZOXQHRWNIHMLCE-DGCLKSJQSA-N 1 3 234.347 1.361 20 0 BDADHO [NH3+]C[C@@H]1CCCC12CCN(Cc1cc[nH]n1)CC2 ZINC001580261173 986716046 /nfs/dbraw/zinc/71/60/46/986716046.db2.gz WVPDTMPODDQESI-LBPRGKRZSA-N 1 3 248.374 1.751 20 0 BDADHO C/C=C(\NC=[NH2+])C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245416820 986847282 /nfs/dbraw/zinc/84/72/82/986847282.db2.gz AVFVRCKHHVNDAT-DIDRYLFGSA-N 1 3 249.358 1.898 20 0 BDADHO CC(C)(C)[C@@H](O)CN1CCC([NH+]2CCC2)CC1 ZINC000700378522 986857570 /nfs/dbraw/zinc/85/75/70/986857570.db2.gz QJTBFQVFLMHEKG-ZDUSSCGKSA-N 1 3 240.391 1.564 20 0 BDADHO NCc1cccc(-c2ccncc2C[NH3+])n1 ZINC001245556780 986942238 /nfs/dbraw/zinc/94/22/38/986942238.db2.gz DGYPEVKTMKGUPJ-UHFFFAOYSA-N 1 3 214.272 1.061 20 0 BDADHO Cc1cc(CN)nn1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255666222 987048240 /nfs/dbraw/zinc/04/82/40/987048240.db2.gz WEDUYYSWUQHXTF-PBWFPOADSA-N 1 3 248.374 1.838 20 0 BDADHO Cc1cc(CN)nn1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255666222 987048252 /nfs/dbraw/zinc/04/82/52/987048252.db2.gz WEDUYYSWUQHXTF-PBWFPOADSA-N 1 3 248.374 1.838 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@@]2(C)C[C@H](O)C2)CC1 ZINC001256561655 987228784 /nfs/dbraw/zinc/22/87/84/987228784.db2.gz LUWNGQOTMYDBOM-MQMHXKEQSA-N 1 3 240.391 1.752 20 0 BDADHO CCCC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245977553 987245010 /nfs/dbraw/zinc/24/50/10/987245010.db2.gz YKRCFRNJSAVHKV-NSHDSACASA-N 1 3 214.353 1.399 20 0 BDADHO CCCC[C@H](O)CNCC1([NH3+])CCCC1 ZINC001245977553 987245029 /nfs/dbraw/zinc/24/50/29/987245029.db2.gz YKRCFRNJSAVHKV-NSHDSACASA-N 1 3 214.353 1.399 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001246001828 987284363 /nfs/dbraw/zinc/28/43/63/987284363.db2.gz ORTBZSQQSRXCPX-NWDGAFQWSA-N 1 3 208.305 1.047 20 0 BDADHO CC(C)(C)[C@@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246015282 987296234 /nfs/dbraw/zinc/29/62/34/987296234.db2.gz YKSXGKGFMHWXKP-VWYCJHECSA-N 1 3 214.353 1.253 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246020200 987308009 /nfs/dbraw/zinc/30/80/09/987308009.db2.gz IJJYACPZOZEWAZ-OLZOCXBDSA-N 1 3 228.380 1.598 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246020200 987308015 /nfs/dbraw/zinc/30/80/15/987308015.db2.gz IJJYACPZOZEWAZ-OLZOCXBDSA-N 1 3 228.380 1.598 20 0 BDADHO C[C@H](CCO)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693707634 987313785 /nfs/dbraw/zinc/31/37/85/987313785.db2.gz QWOFYVUASMIZLB-FVCCEPFGSA-N 1 3 240.391 1.371 20 0 BDADHO CC(C)[C@H](O)CN1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246027124 987325190 /nfs/dbraw/zinc/32/51/90/987325190.db2.gz WZGVOGUAUIJROI-IJLUTSLNSA-N 1 3 214.353 1.063 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697036796 987346956 /nfs/dbraw/zinc/34/69/56/987346956.db2.gz MAPLQEMCPPZQHR-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cc(NCC[C@@H](C)[NH+](C)C)nc(N)n1 ZINC000697823573 987365823 /nfs/dbraw/zinc/36/58/23/987365823.db2.gz WRFVERBRZOVDSY-SECBINFHSA-N 1 3 223.324 1.119 20 0 BDADHO C[C@H]1CC[C@H](N[C@@H]2CC3CCN(CC3)C2)C[NH2+]1 ZINC001246081278 987374998 /nfs/dbraw/zinc/37/49/98/987374998.db2.gz RSIVNCHCTXZWQX-FPMFFAJLSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)CCO1 ZINC001246087657 987389878 /nfs/dbraw/zinc/38/98/78/987389878.db2.gz ZRWMARUUHFEZHX-QCNOEVLYSA-N 1 3 212.337 1.284 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)C(C)C ZINC001246090736 987396544 /nfs/dbraw/zinc/39/65/44/987396544.db2.gz YOZMGIPTIBMQMM-IJLUTSLNSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC001246090736 987396546 /nfs/dbraw/zinc/39/65/46/987396546.db2.gz YOZMGIPTIBMQMM-IJLUTSLNSA-N 1 3 214.353 1.388 20 0 BDADHO CCOC(=O)CC(C)(C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246090785 987398686 /nfs/dbraw/zinc/39/86/86/987398686.db2.gz ZNLXQAMEMVBISM-MNOVXSKESA-N 1 3 242.363 1.448 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)NC1 ZINC001246105124 987434658 /nfs/dbraw/zinc/43/46/58/987434658.db2.gz LXSHPRDVPCMYAN-WOPDTQHZSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1CN[C@H]1CCCOC1 ZINC001246111930 987445652 /nfs/dbraw/zinc/44/56/52/987445652.db2.gz PNJLWSRYSCTDFT-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](N)c1nc2ccccc2n1C1CC[NH2+]CC1 ZINC001246121441 987470011 /nfs/dbraw/zinc/47/00/11/987470011.db2.gz QDCLPJFKOUNLDD-JTQLQIEISA-N 1 3 244.342 1.981 20 0 BDADHO CCCC[C@@H](CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246137540 987492818 /nfs/dbraw/zinc/49/28/18/987492818.db2.gz ZGNLSOHPMBHABJ-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246151192 987511591 /nfs/dbraw/zinc/51/15/91/987511591.db2.gz ZFZFCYXPTUHIIO-IKKURHKOSA-N 1 3 238.375 1.388 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCn2cccc2)CCN1 ZINC001246174462 987545242 /nfs/dbraw/zinc/54/52/42/987545242.db2.gz QKTGAOMMLBVJDJ-NWDGAFQWSA-N 1 3 207.321 1.218 20 0 BDADHO C[C@H]1C[C@H](NCCn2cccc2)CC[NH2+]1 ZINC001246174462 987545256 /nfs/dbraw/zinc/54/52/56/987545256.db2.gz QKTGAOMMLBVJDJ-NWDGAFQWSA-N 1 3 207.321 1.218 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCc2ccncc2)CCN1 ZINC001246176251 987545305 /nfs/dbraw/zinc/54/53/05/987545305.db2.gz NUQDSWOGAVPHQO-OCCSQVGLSA-N 1 3 233.359 1.744 20 0 BDADHO CCOC(=O)CC[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001246196984 987592203 /nfs/dbraw/zinc/59/22/03/987592203.db2.gz JDZUWFKZWZTOLT-VXGBXAGGSA-N 1 3 242.363 1.307 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246219997 987617441 /nfs/dbraw/zinc/61/74/41/987617441.db2.gz BXLPBDGIAYMQSM-NZEXEKPDSA-N 1 3 208.349 1.905 20 0 BDADHO Cc1ccnc(CCC[NH2+]C2CCNCC2)c1 ZINC001246238128 987638189 /nfs/dbraw/zinc/63/81/89/987638189.db2.gz FAUFNWSXOZRQJN-UHFFFAOYSA-N 1 3 233.359 1.664 20 0 BDADHO C[C@H](N)c1ccn([C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246251183 987649741 /nfs/dbraw/zinc/64/97/41/987649741.db2.gz YGWAHSNBBZUHMA-UTLUCORTSA-N 1 3 208.309 1.216 20 0 BDADHO Cc1ccnc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246256100 987653437 /nfs/dbraw/zinc/65/34/37/987653437.db2.gz MNQGVNCYHGAFGA-YIONKMFJSA-N 1 3 245.370 1.805 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC001246272587 987664824 /nfs/dbraw/zinc/66/48/24/987664824.db2.gz QXUQJDIRYYJPBK-PHIMTYICSA-N 1 3 240.347 1.060 20 0 BDADHO COc1ccc(CCN[C@H]2CC[NH2+][C@@H](C)C2)nc1 ZINC001246274669 987669281 /nfs/dbraw/zinc/66/92/81/987669281.db2.gz ZPYOSCSOJXVKAZ-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO c1ccc2c(c1)CN[C@H](CN[C@H]1CCC[NH2+]C1)C2 ZINC001246277398 987672524 /nfs/dbraw/zinc/67/25/24/987672524.db2.gz IXJKOOAXLKVUJN-GJZGRUSLSA-N 1 3 245.370 1.043 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCCC3)[C@@H]2C1 ZINC001474301168 987683251 /nfs/dbraw/zinc/68/32/51/987683251.db2.gz GKZRGZZBTOPVPV-UHTWSYAYSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@H]([NH3+])CCNC1Cc2cc(F)c(F)cc2C1 ZINC001246301313 987696069 /nfs/dbraw/zinc/69/60/69/987696069.db2.gz RFMBVGZWMVXSGS-QMMMGPOBSA-N 1 3 240.297 1.759 20 0 BDADHO CC(C)CC(CC(C)C)[NH2+][C@H]1CNC[C@@H]1CO ZINC001246309717 987708531 /nfs/dbraw/zinc/70/85/31/987708531.db2.gz SSJRWEWKSUUPNG-OCCSQVGLSA-N 1 3 242.407 1.617 20 0 BDADHO CCCC[C@H](CC(C)C)[NH2+][C@@H]1CNC[C@@H]1CO ZINC001246307993 987708704 /nfs/dbraw/zinc/70/87/04/987708704.db2.gz NRCGPYMAIVVUMP-MGPQQGTHSA-N 1 3 242.407 1.761 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246320942 987728654 /nfs/dbraw/zinc/72/86/54/987728654.db2.gz LSEHPBGNNYNAMD-ZWNOBZJWSA-N 1 3 236.363 1.607 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2CCC(CCO)CC2)CCN1 ZINC001246331400 987737120 /nfs/dbraw/zinc/73/71/20/987737120.db2.gz BGIZMALTCRKZCU-BLYZHGLHSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1CC[C@@H](NCCC2CCC(O)CC2)C[NH2+]1 ZINC001246333252 987742827 /nfs/dbraw/zinc/74/28/27/987742827.db2.gz KGIGFMVYIWKUPS-NELGMTEASA-N 1 3 240.391 1.658 20 0 BDADHO COC(CCCN[C@@H]1CC[C@H](C)[NH2+]C1)OC ZINC001246338737 987749845 /nfs/dbraw/zinc/74/98/45/987749845.db2.gz CKSJVYSPFKNFOY-WDEREUQCSA-N 1 3 230.352 1.116 20 0 BDADHO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12CNC2 ZINC001246442837 987796113 /nfs/dbraw/zinc/79/61/13/987796113.db2.gz FBEBONDSKPVAJP-GWCFXTLKSA-N 1 3 234.318 1.708 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)C1CC1 ZINC001474756354 987819323 /nfs/dbraw/zinc/81/93/23/987819323.db2.gz CVCBODRNAKOLIH-ZBAXXZLZSA-N 1 3 208.349 1.715 20 0 BDADHO C[C@@H](Cc1ccncc1)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478366 987837571 /nfs/dbraw/zinc/83/75/71/987837571.db2.gz OFTGFVJDALNMAA-YUTCNCBUSA-N 1 3 233.359 1.872 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H](F)[C@@H](N)C1 ZINC001246529523 987887133 /nfs/dbraw/zinc/88/71/33/987887133.db2.gz KXQMHTMIGCROMG-UTUOFQBUSA-N 1 3 231.359 1.088 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246532647 987890747 /nfs/dbraw/zinc/89/07/47/987890747.db2.gz XKPUHCOXOSYPIG-DGCLKSJQSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246532647 987890752 /nfs/dbraw/zinc/89/07/52/987890752.db2.gz XKPUHCOXOSYPIG-DGCLKSJQSA-N 1 3 242.363 1.531 20 0 BDADHO N[C@@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539733 987904273 /nfs/dbraw/zinc/90/42/73/987904273.db2.gz IPRXYKVSQMPMDU-ODWCKFRGSA-N 1 3 222.332 1.286 20 0 BDADHO N[C@@H]1CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539733 987904287 /nfs/dbraw/zinc/90/42/87/987904287.db2.gz IPRXYKVSQMPMDU-ODWCKFRGSA-N 1 3 222.332 1.286 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541079 987912344 /nfs/dbraw/zinc/91/23/44/987912344.db2.gz LMYQWBAKRUCXRZ-NWDGAFQWSA-N 1 3 212.337 1.369 20 0 BDADHO N[C@H]1CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541079 987912359 /nfs/dbraw/zinc/91/23/59/987912359.db2.gz LMYQWBAKRUCXRZ-NWDGAFQWSA-N 1 3 212.337 1.369 20 0 BDADHO CCCC(CCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579826 988104606 /nfs/dbraw/zinc/10/46/06/988104606.db2.gz HEESHTSCDFQATD-CMPLNLGQSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC(CCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579826 988104616 /nfs/dbraw/zinc/10/46/16/988104616.db2.gz HEESHTSCDFQATD-CMPLNLGQSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC1CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246583302 988128104 /nfs/dbraw/zinc/12/81/04/988128104.db2.gz JMEMYPRJIHJTHR-YIOUJQMASA-N 1 3 240.391 1.597 20 0 BDADHO CCCC1CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246583302 988128111 /nfs/dbraw/zinc/12/81/11/988128111.db2.gz JMEMYPRJIHJTHR-YIOUJQMASA-N 1 3 240.391 1.597 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246585653 988139311 /nfs/dbraw/zinc/13/93/11/988139311.db2.gz PNNPOVRMZBZDOJ-UONOGXRCSA-N 1 3 239.407 1.532 20 0 BDADHO CN1CCC[C@H]([N@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246585653 988139322 /nfs/dbraw/zinc/13/93/22/988139322.db2.gz PNNPOVRMZBZDOJ-UONOGXRCSA-N 1 3 239.407 1.532 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@](F)(CO)CC2)CC[NH2+]1 ZINC001246587706 988144149 /nfs/dbraw/zinc/14/41/49/988144149.db2.gz IMNLFICENMEXTP-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(CO)CC2)CCN1 ZINC001246587706 988144155 /nfs/dbraw/zinc/14/41/55/988144155.db2.gz IMNLFICENMEXTP-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@](F)(CO)CC2)CCN1 ZINC001246587706 988144165 /nfs/dbraw/zinc/14/41/65/988144165.db2.gz IMNLFICENMEXTP-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)CCN1 ZINC001246590335 988162539 /nfs/dbraw/zinc/16/25/39/988162539.db2.gz SKCKKNFFUBYMSJ-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(O)[C@@H](C)C2)CCN1 ZINC001246590335 988162551 /nfs/dbraw/zinc/16/25/51/988162551.db2.gz SKCKKNFFUBYMSJ-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246590335 988162561 /nfs/dbraw/zinc/16/25/61/988162561.db2.gz SKCKKNFFUBYMSJ-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO CC1(C)C[N@H+]([C@@H]2CCCNC2)[C@](C)(CO)C1 ZINC001246591677 988175198 /nfs/dbraw/zinc/17/51/98/988175198.db2.gz WWDLVOAPPWQKKN-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@@H+]([C@@H]2CCCNC2)[C@](C)(CO)C1 ZINC001246591677 988175210 /nfs/dbraw/zinc/17/52/10/988175210.db2.gz WWDLVOAPPWQKKN-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630152 988303931 /nfs/dbraw/zinc/30/39/31/988303931.db2.gz HICXIBDCTQHPCA-DBIOUOCHSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630152 988303947 /nfs/dbraw/zinc/30/39/47/988303947.db2.gz HICXIBDCTQHPCA-DBIOUOCHSA-N 1 3 230.302 1.714 20 0 BDADHO CC(C)CC[C@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246642958 988351535 /nfs/dbraw/zinc/35/15/35/988351535.db2.gz NQUBCXVLGLEJDH-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO CCCC[C@@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645073 988356251 /nfs/dbraw/zinc/35/62/51/988356251.db2.gz SUDBVWPDLYQOBX-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[C@H](C)NC3)C[C@H]12 ZINC001246854997 988579761 /nfs/dbraw/zinc/57/97/61/988579761.db2.gz RTVZPGGHZKPWJG-KSSYENDESA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[C@H](C)NC3)C[C@H]12 ZINC001246854997 988579768 /nfs/dbraw/zinc/57/97/68/988579768.db2.gz RTVZPGGHZKPWJG-KSSYENDESA-N 1 3 224.348 1.094 20 0 BDADHO Cc1nc2c(n1[C@@H]1CC[NH2+][C@H](C)C1)CNCC2 ZINC001246860362 988600320 /nfs/dbraw/zinc/60/03/20/988600320.db2.gz HSMAHKHNQCCAQS-MWLCHTKSSA-N 1 3 234.347 1.150 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874893 988643847 /nfs/dbraw/zinc/64/38/47/988643847.db2.gz WNZARWZSHAGUDY-ROHXPCBUSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874893 988643876 /nfs/dbraw/zinc/64/38/76/988643876.db2.gz WNZARWZSHAGUDY-ROHXPCBUSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874892 988646599 /nfs/dbraw/zinc/64/65/99/988646599.db2.gz WNZARWZSHAGUDY-OOCWMUITSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CCN1 ZINC001246874892 988646608 /nfs/dbraw/zinc/64/66/08/988646608.db2.gz WNZARWZSHAGUDY-OOCWMUITSA-N 1 3 212.312 1.274 20 0 BDADHO C1CN(C2CCC3(CCC[NH2+]C3)CC2)CN1 ZINC001246996987 988827443 /nfs/dbraw/zinc/82/74/43/988827443.db2.gz SYHXTFYWMXRKED-UHFFFAOYSA-N 1 3 223.364 1.162 20 0 BDADHO CCN(CC)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001119375264 989012993 /nfs/dbraw/zinc/01/29/93/989012993.db2.gz OVRXPKVTJKWCGZ-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)NCC[C@H](C)[NH2+]C ZINC001326036308 989335865 /nfs/dbraw/zinc/33/58/65/989335865.db2.gz PAJJKMRZHQVQBM-NWDGAFQWSA-N 1 3 243.395 1.221 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073245 990221138 /nfs/dbraw/zinc/22/11/38/990221138.db2.gz DWHUFAHTVSWYPE-DDHJBXDOSA-N 1 3 241.379 1.007 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1cncnc1)CC2 ZINC001137670434 990837719 /nfs/dbraw/zinc/83/77/19/990837719.db2.gz QTXSJNGBMNKILL-UHFFFAOYSA-N 1 3 232.331 1.004 20 0 BDADHO COC(=O)CC[C@H](C)[N@H+](CCCN)C(C)C ZINC001258348214 991255619 /nfs/dbraw/zinc/25/56/19/991255619.db2.gz JUWRSLUAKDEBKP-NSHDSACASA-N 1 3 230.352 1.387 20 0 BDADHO COC(=O)CC[C@H](C)[N@@H+](CCCN)C(C)C ZINC001258348214 991255629 /nfs/dbraw/zinc/25/56/29/991255629.db2.gz JUWRSLUAKDEBKP-NSHDSACASA-N 1 3 230.352 1.387 20 0 BDADHO CCN(CCC[NH+](C)C)[C@@H](C)CCC(=O)OC ZINC001258376681 991331512 /nfs/dbraw/zinc/33/15/12/991331512.db2.gz HAQDFOVHTMZSLS-LBPRGKRZSA-N 1 3 244.379 1.602 20 0 BDADHO C[C@H]1[C@@H](O)CCCN1CC[C@H]1CCC[N@@H+]1C ZINC001560135644 991389479 /nfs/dbraw/zinc/38/94/79/991389479.db2.gz XABXSVSPFBUMQA-XQQFMLRXSA-N 1 3 226.364 1.316 20 0 BDADHO C[C@H]1[C@@H](O)CCCN1CC[C@H]1CCC[N@H+]1C ZINC001560135644 991389484 /nfs/dbraw/zinc/38/94/84/991389484.db2.gz XABXSVSPFBUMQA-XQQFMLRXSA-N 1 3 226.364 1.316 20 0 BDADHO CCOC(=O)CC[C@@H](C)NC(C)(C)C(C)(C)[NH3+] ZINC001258483435 991455092 /nfs/dbraw/zinc/45/50/92/991455092.db2.gz HNMBILNIUUOFHM-SNVBAGLBSA-N 1 3 244.379 1.824 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CCSCC3)[C@@H]2C1 ZINC001560623515 991526478 /nfs/dbraw/zinc/52/64/78/991526478.db2.gz ZPRGEOYSTALLFM-UHTWSYAYSA-N 1 3 240.416 1.812 20 0 BDADHO CC[NH+]1CCC(NCCc2cnc(C)cn2)CC1 ZINC001560873649 991631714 /nfs/dbraw/zinc/63/17/14/991631714.db2.gz WHWCHUDPOHHLBL-UHFFFAOYSA-N 1 3 248.374 1.401 20 0 BDADHO CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](CC)N(C)C ZINC001318541992 991676283 /nfs/dbraw/zinc/67/62/83/991676283.db2.gz QJCVYHCPJHYAQH-NWDGAFQWSA-N 1 3 243.395 1.221 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@H](OC)C2)CC1 ZINC001258772108 991738698 /nfs/dbraw/zinc/73/86/98/991738698.db2.gz IYZPWSDNKXBDDI-ZDUSSCGKSA-N 1 3 226.364 1.582 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001258772302 991742481 /nfs/dbraw/zinc/74/24/81/991742481.db2.gz MQXQNNNSHHNEER-OCCSQVGLSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]C(C)C)N(C)C ZINC001568180127 992144434 /nfs/dbraw/zinc/14/44/34/992144434.db2.gz LKZKVRZFDSBBHQ-NWDGAFQWSA-N 1 3 243.395 1.077 20 0 BDADHO CC(C)C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC001573506883 992626595 /nfs/dbraw/zinc/62/65/95/992626595.db2.gz VAIIWSHPKPHTFG-BFHYXJOUSA-N 1 3 240.391 1.922 20 0 BDADHO C([NH2+][C@H]1C[C@H]2CC[C@@H]1N2)[C@@H]1CCSC1 ZINC001574774944 992902888 /nfs/dbraw/zinc/90/28/88/992902888.db2.gz QOMZIOQRLFLSRN-VLEAKVRGSA-N 1 3 212.362 1.222 20 0 BDADHO C1CC2(C1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1N3)CCO2 ZINC001574795953 992910538 /nfs/dbraw/zinc/91/05/38/992910538.db2.gz QXQFGDJLUMWRFN-MROQNXINSA-N 1 3 236.359 1.571 20 0 BDADHO C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@H]1CCCCCN1 ZINC001574801597 992913259 /nfs/dbraw/zinc/91/32/59/992913259.db2.gz SHWFCJCQAAKQQF-NDBYEHHHSA-N 1 3 224.348 1.143 20 0 BDADHO C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@H]2CCOC2)C1 ZINC001574801594 992914106 /nfs/dbraw/zinc/91/41/06/992914106.db2.gz SHPHRNBJMHHZFP-RNJOBUHISA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@@H]1COCO1 ZINC001575130092 992994807 /nfs/dbraw/zinc/99/48/07/992994807.db2.gz FIBKUAMLQZKHDZ-WDEREUQCSA-N 1 3 230.352 1.103 20 0 BDADHO CC(C)(CN[C@@H]1CCC[NH2+]C1)C1=CCOCC1 ZINC001575335005 993014816 /nfs/dbraw/zinc/01/48/16/993014816.db2.gz YPHRNPRJXTZXTO-CYBMUJFWSA-N 1 3 238.375 1.701 20 0 BDADHO CC(C)(N)C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001575358355 993024900 /nfs/dbraw/zinc/02/49/00/993024900.db2.gz ORIACNDJODZEHP-MGCOHNPYSA-N 1 3 242.363 1.434 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001575497668 993055474 /nfs/dbraw/zinc/05/54/74/993055474.db2.gz GCGPTAKFVQPYGX-WYUUTHIRSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001575497667 993057600 /nfs/dbraw/zinc/05/76/00/993057600.db2.gz GCGPTAKFVQPYGX-WISYIIOYSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)CC[C@H](CO)N[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC001575555332 993071070 /nfs/dbraw/zinc/07/10/70/993071070.db2.gz RMQHAEBXYDNTPP-HZSPNIEDSA-N 1 3 242.407 1.904 20 0 BDADHO CC(C)C[C@@H](CO)NC[C@@H]([NH3+])CC(F)(F)F ZINC001575618910 993085866 /nfs/dbraw/zinc/08/58/66/993085866.db2.gz PMYIAYGUVHTUBZ-IUCAKERBSA-N 1 3 242.285 1.263 20 0 BDADHO C[C@H](CCN)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962901 993144208 /nfs/dbraw/zinc/14/42/08/993144208.db2.gz ZKOBNWLYPRTJIX-KXNHARMFSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc2nccn21 ZINC001575989393 993154218 /nfs/dbraw/zinc/15/42/18/993154218.db2.gz XIPWEUPLDSEBPM-JTQLQIEISA-N 1 3 218.304 1.019 20 0 BDADHO C[C@H](Cc1ccno1)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001576065639 993169913 /nfs/dbraw/zinc/16/99/13/993169913.db2.gz GOIJYXAHXOXRKR-IEBDPFPHSA-N 1 3 223.320 1.321 20 0 BDADHO CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC000378665153 993198999 /nfs/dbraw/zinc/19/89/99/993198999.db2.gz FPNRRQKTWLYURO-RWMBFGLXSA-N 1 3 226.364 1.757 20 0 BDADHO CO[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC000378665153 993199001 /nfs/dbraw/zinc/19/90/01/993199001.db2.gz FPNRRQKTWLYURO-RWMBFGLXSA-N 1 3 226.364 1.757 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC[C@@H](O)Cc1ccccc1 ZINC001576380522 993285093 /nfs/dbraw/zinc/28/50/93/993285093.db2.gz TWUWCNWXICBORD-IHRRRGAJSA-N 1 3 248.370 1.305 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@H](CO)CC1CCC1 ZINC001576383459 993289215 /nfs/dbraw/zinc/28/92/15/993289215.db2.gz OUDVGUDUWJELAW-QJPTWQEYSA-N 1 3 226.364 1.253 20 0 BDADHO CC1(C)CC2(CC([NH2+][C@H]3C[C@@H](N)C3)C2)CO1 ZINC001576404685 993295086 /nfs/dbraw/zinc/29/50/86/993295086.db2.gz JWGOXADUNDBNQI-UYVFGJEYSA-N 1 3 224.348 1.413 20 0 BDADHO CC1(C)CC2(CC(N[C@H]3C[C@@H]([NH3+])C3)C2)CO1 ZINC001576404685 993295100 /nfs/dbraw/zinc/29/51/00/993295100.db2.gz JWGOXADUNDBNQI-UYVFGJEYSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@@]1(CN[C@@H]2CCO[C@H]2C2CC2)CC[NH2+]C1 ZINC001576526248 993331053 /nfs/dbraw/zinc/33/10/53/993331053.db2.gz PDXOPULSFUBOFJ-FRRDWIJNSA-N 1 3 224.348 1.143 20 0 BDADHO COC1(C)CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC000381089656 993369428 /nfs/dbraw/zinc/36/94/28/993369428.db2.gz USXPBUOLJIPYSE-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO COC1(C)CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000381089656 993369435 /nfs/dbraw/zinc/36/94/35/993369435.db2.gz USXPBUOLJIPYSE-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C[C@@H]1O ZINC001576729712 993408386 /nfs/dbraw/zinc/40/83/86/993408386.db2.gz WOOFAFUXVZMJER-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)CN1CCC([NH2+]CCC(C)(C)O)CC1 ZINC000382381871 993454700 /nfs/dbraw/zinc/45/47/00/993454700.db2.gz CWCZFVPXQMQBTQ-UHFFFAOYSA-N 1 3 242.407 1.857 20 0 BDADHO CCC(CC)(CN)C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC001577052586 993489770 /nfs/dbraw/zinc/48/97/70/993489770.db2.gz YHRLDAVDLRUARB-PHIMTYICSA-N 1 3 214.353 1.255 20 0 BDADHO CC[C@@H]([NH2+]CC(CC)(CC)CN)[C@H](C)O ZINC001577175932 993530845 /nfs/dbraw/zinc/53/08/45/993530845.db2.gz MWMZBDADFIEVHT-WDEREUQCSA-N 1 3 216.369 1.501 20 0 BDADHO CC[C@H](C)N(C)C[C@@H](O)C[NH+](CC)CC ZINC000389666115 993761927 /nfs/dbraw/zinc/76/19/27/993761927.db2.gz OIXBPSADVZENIP-NWDGAFQWSA-N 1 3 216.369 1.419 20 0 BDADHO CC(C)O[C@@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658428 993898437 /nfs/dbraw/zinc/89/84/37/993898437.db2.gz RXAVVATYAOYZHH-FRRDWIJNSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000701658428 993898441 /nfs/dbraw/zinc/89/84/41/993898441.db2.gz RXAVVATYAOYZHH-FRRDWIJNSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000701658428 993898444 /nfs/dbraw/zinc/89/84/44/993898444.db2.gz RXAVVATYAOYZHH-FRRDWIJNSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701668406 993899459 /nfs/dbraw/zinc/89/94/59/993899459.db2.gz QHARUQFOSZXJNW-QNMSZWNNSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2CCNCC2)C[C@H](C)O1 ZINC000702212736 993973546 /nfs/dbraw/zinc/97/35/46/993973546.db2.gz BVGRKFKRKXYSLB-PEGIJTEDSA-N 1 3 212.337 1.284 20 0 BDADHO CCOC(C)(C)CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000702665521 994031638 /nfs/dbraw/zinc/03/16/38/994031638.db2.gz YRGAJGOXYZUFFC-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[NH+](C)[C@H]1C[C@H](NCC2(O)CCC2)C12CCC2 ZINC001335531580 994805323 /nfs/dbraw/zinc/80/53/23/994805323.db2.gz VNGOLIKYORZWNK-RYUDHWBXSA-N 1 3 238.375 1.364 20 0 BDADHO CC[C@@](C)(O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161566175 538916944 /nfs/dbraw/zinc/91/69/44/538916944.db2.gz SDAZTQWDWYZSBY-CQSZACIVSA-N 1 3 249.358 1.365 20 0 BDADHO Cc1cc(CNCC2CC[NH+](C)CC2)on1 ZINC000054243774 178020598 /nfs/dbraw/zinc/02/05/98/178020598.db2.gz GZXNYCJWCNXSFF-UHFFFAOYSA-N 1 3 223.320 1.414 20 0 BDADHO Cc1nnsc1CNCCCC[NH+](C)C ZINC000379835741 398170262 /nfs/dbraw/zinc/17/02/62/398170262.db2.gz FFKPALHULGKFNO-UHFFFAOYSA-N 1 3 228.365 1.278 20 0 BDADHO CC(C)CC[C@@](C)(O)CN[C@@H](C)C1C[NH2+]C1 ZINC000422977044 398160948 /nfs/dbraw/zinc/16/09/48/398160948.db2.gz JHJBSSPRLJYKCN-WCQYABFASA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)C1CNC1 ZINC000422977044 398160949 /nfs/dbraw/zinc/16/09/49/398160949.db2.gz JHJBSSPRLJYKCN-WCQYABFASA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000423019855 398161028 /nfs/dbraw/zinc/16/10/28/398161028.db2.gz XLUSTZMQCUQUIU-RWMBFGLXSA-N 1 3 242.407 1.891 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000379761279 398164806 /nfs/dbraw/zinc/16/48/06/398164806.db2.gz DSOJHEDKXKBNDA-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000379761279 398164809 /nfs/dbraw/zinc/16/48/09/398164809.db2.gz DSOJHEDKXKBNDA-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000379761279 398164810 /nfs/dbraw/zinc/16/48/10/398164810.db2.gz DSOJHEDKXKBNDA-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H]([NH2+]C[C@]1(C)CCCNC1)C(C)C ZINC000423327081 398166284 /nfs/dbraw/zinc/16/62/84/398166284.db2.gz LAXBZELUTFBZHZ-QWHCGFSZSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@H](NC[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327081 398166287 /nfs/dbraw/zinc/16/62/87/398166287.db2.gz LAXBZELUTFBZHZ-QWHCGFSZSA-N 1 3 228.380 1.637 20 0 BDADHO CN(C[C@@H](O)C[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000576368569 365579566 /nfs/dbraw/zinc/57/95/66/365579566.db2.gz AZUFOLSIVXYRQC-RYUDHWBXSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]([NH3+])CN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000649413852 398212035 /nfs/dbraw/zinc/21/20/35/398212035.db2.gz MWSCNIXEZNRQCS-UKRRQHHQSA-N 1 3 247.386 1.540 20 0 BDADHO C[C@@H]([NH3+])CN1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000649413851 398212056 /nfs/dbraw/zinc/21/20/56/398212056.db2.gz MWSCNIXEZNRQCS-HIFRSBDPSA-N 1 3 247.386 1.540 20 0 BDADHO Cc1cc(NC[C@@H](C)N2CCN(C)CC2)cc[nH+]1 ZINC000274805045 178164671 /nfs/dbraw/zinc/16/46/71/178164671.db2.gz LGBHLHXPWCBQGA-CYBMUJFWSA-N 1 3 248.374 1.438 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)C(C)(C)C)CC1 ZINC000164008611 538931489 /nfs/dbraw/zinc/93/14/89/538931489.db2.gz PKNLEIRDEWKVGN-CYBMUJFWSA-N 1 3 242.407 1.857 20 0 BDADHO C[N@H+](C[C@H](O)CN[C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915688 398242579 /nfs/dbraw/zinc/24/25/79/398242579.db2.gz OFTGJVNKGUCUIH-GXSJLCMTSA-N 1 3 248.317 1.219 20 0 BDADHO C[N@@H+](C[C@H](O)CN[C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915688 398242582 /nfs/dbraw/zinc/24/25/82/398242582.db2.gz OFTGJVNKGUCUIH-GXSJLCMTSA-N 1 3 248.317 1.219 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)OC ZINC000381273168 398249797 /nfs/dbraw/zinc/24/97/97/398249797.db2.gz IJHMPWCEXWXBQZ-CYDGBPFRSA-N 1 3 228.380 1.907 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc2c(c1)OCO2 ZINC000258932391 349536272 /nfs/dbraw/zinc/53/62/72/349536272.db2.gz JMTVLQXHCVUPTQ-NWDGAFQWSA-N 1 3 248.326 1.427 20 0 BDADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC000162170099 349583438 /nfs/dbraw/zinc/58/34/38/349583438.db2.gz OUSJYKRXRGBSBH-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000583937441 342728539 /nfs/dbraw/zinc/72/85/39/342728539.db2.gz NCVIGRJXTAOGCY-IJLUTSLNSA-N 1 3 241.379 1.103 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCCn2ccnc2C)C1 ZINC000348749052 136238024 /nfs/dbraw/zinc/23/80/24/136238024.db2.gz MTNXBPOVJRUMLX-CYBMUJFWSA-N 1 3 236.363 1.123 20 0 BDADHO C(C[NH2+][C@@H]1CCO[C@H]1C1CC1)CN1CCCC1 ZINC000232457254 342834931 /nfs/dbraw/zinc/83/49/31/342834931.db2.gz RKFXHUOZCBERMB-KGLIPLIRSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@@H]1CCO[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457254 342834933 /nfs/dbraw/zinc/83/49/33/342834933.db2.gz RKFXHUOZCBERMB-KGLIPLIRSA-N 1 3 238.375 1.629 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000381130277 538995059 /nfs/dbraw/zinc/99/50/59/538995059.db2.gz KMGLSHQXLUEPMS-ZJUUUORDSA-N 1 3 224.352 1.709 20 0 BDADHO CC(C)[C@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000390292017 539020820 /nfs/dbraw/zinc/02/08/20/539020820.db2.gz ZBPVLEFVXVJFIG-ZDUSSCGKSA-N 1 3 228.380 1.589 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCCO1 ZINC000390310883 539020841 /nfs/dbraw/zinc/02/08/41/539020841.db2.gz FWKQWDOFEUJTMM-JHJVBQTASA-N 1 3 224.348 1.097 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184293 539027781 /nfs/dbraw/zinc/02/77/81/539027781.db2.gz BTGSMQQEXPPXEV-KGLIPLIRSA-N 1 3 238.375 1.796 20 0 BDADHO Cc1ccccc1CN1CCCN(CC[NH3+])CC1 ZINC000037039707 398300149 /nfs/dbraw/zinc/30/01/49/398300149.db2.gz RZIIHGCYVKCANU-UHFFFAOYSA-N 1 3 247.386 1.461 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CS1 ZINC000392271923 398316895 /nfs/dbraw/zinc/31/68/95/398316895.db2.gz VDOMDHGBYBTKDO-PWSUYJOCSA-N 1 3 226.389 1.732 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004473 342900404 /nfs/dbraw/zinc/90/04/04/342900404.db2.gz LYVPREKAMZYCSC-DDHJBXDOSA-N 1 3 220.316 1.995 20 0 BDADHO CCOC[C@H]1CCCCN1CCC[NH3+] ZINC000313231855 259331519 /nfs/dbraw/zinc/33/15/19/259331519.db2.gz NYGKGTSKSYROTR-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO CCN1CC[C@@H]([NH2+]C2CCN(C)CC2)[C@@H](C)C1 ZINC000247945190 398337879 /nfs/dbraw/zinc/33/78/79/398337879.db2.gz HGFZWJYZCSMVLW-GXTWGEPZSA-N 1 3 239.407 1.401 20 0 BDADHO C[NH+](C)Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000037609651 398332498 /nfs/dbraw/zinc/33/24/98/398332498.db2.gz WTJLBFVYCLQGPO-UHFFFAOYSA-N 1 3 247.342 1.439 20 0 BDADHO C[C@@H](F)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000351751865 136251400 /nfs/dbraw/zinc/25/14/00/136251400.db2.gz DJDNMABOWUZKRZ-MNOVXSKESA-N 1 3 202.317 1.618 20 0 BDADHO CO[C@@H](C)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000223896354 488188519 /nfs/dbraw/zinc/18/85/19/488188519.db2.gz VBSACFWNWZXJHX-BIMULSAOSA-N 1 3 220.316 1.756 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](CCO)C1 ZINC000678075734 488190654 /nfs/dbraw/zinc/19/06/54/488190654.db2.gz NYRUHSRJLSKCRM-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](CCO)C1 ZINC000678075734 488190658 /nfs/dbraw/zinc/19/06/58/488190658.db2.gz NYRUHSRJLSKCRM-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CO1 ZINC000402110737 349793324 /nfs/dbraw/zinc/79/33/24/349793324.db2.gz DCAZJHAMCIZGPJ-WYUUTHIRSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])CO1 ZINC000402110737 349793326 /nfs/dbraw/zinc/79/33/26/349793326.db2.gz DCAZJHAMCIZGPJ-WYUUTHIRSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@]1(CO)CCCN1CCC[NH+]1CCCCC1 ZINC000119499305 343079432 /nfs/dbraw/zinc/07/94/32/343079432.db2.gz UVIRUDVVVRRNTH-CQSZACIVSA-N 1 3 240.391 1.709 20 0 BDADHO Cc1cc(CNCC2(C)CC[NH+](C)CC2)on1 ZINC000383650694 362046622 /nfs/dbraw/zinc/04/66/22/362046622.db2.gz DJFGVFJQBBKJAF-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000569658369 323035770 /nfs/dbraw/zinc/03/57/70/323035770.db2.gz CEKJLMPJZFVHQD-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)Nc1cccc2c1CCNC2 ZINC000576927363 365723059 /nfs/dbraw/zinc/72/30/59/365723059.db2.gz UQSWFROTZJYQFT-SNVBAGLBSA-N 1 3 247.342 1.398 20 0 BDADHO CCOC1CC([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000131602334 343183781 /nfs/dbraw/zinc/18/37/81/343183781.db2.gz HQVAHDZDWCFVLY-IYXRBSQSSA-N 1 3 240.391 1.874 20 0 BDADHO CCOC1CC(NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000131602334 343183782 /nfs/dbraw/zinc/18/37/82/343183782.db2.gz HQVAHDZDWCFVLY-IYXRBSQSSA-N 1 3 240.391 1.874 20 0 BDADHO CCOC1CC(NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000131602334 343183783 /nfs/dbraw/zinc/18/37/83/343183783.db2.gz HQVAHDZDWCFVLY-IYXRBSQSSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](O)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000167747957 343209454 /nfs/dbraw/zinc/20/94/54/343209454.db2.gz PPZQKVVHIZJQAA-NSHDSACASA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](O)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000167747957 343209456 /nfs/dbraw/zinc/20/94/56/343209456.db2.gz PPZQKVVHIZJQAA-NSHDSACASA-N 1 3 228.380 1.610 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)NC1COC1 ZINC000082487876 136276648 /nfs/dbraw/zinc/27/66/48/136276648.db2.gz IBLKOGJGNSXSRR-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO COCC[NH2+]CCNc1ccnc2ccccc21 ZINC000215522912 136277764 /nfs/dbraw/zinc/27/77/64/136277764.db2.gz YQQXWMFMJXCNPK-UHFFFAOYSA-N 1 3 245.326 1.883 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@H](C)C(C)(C)C ZINC000634688261 343246532 /nfs/dbraw/zinc/24/65/32/343246532.db2.gz NHPGFJLJHNTELA-WCQYABFASA-N 1 3 230.396 1.571 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H](C[NH3+])C(C)(C)C)O1 ZINC000634688494 343247913 /nfs/dbraw/zinc/24/79/13/343247913.db2.gz UMMMRWYGDUSARF-VWYCJHECSA-N 1 3 214.353 1.517 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000634688656 343248475 /nfs/dbraw/zinc/24/84/75/343248475.db2.gz ZQYVBMAZGCXCCH-TZMCWYRMSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000634688656 343248478 /nfs/dbraw/zinc/24/84/78/343248478.db2.gz ZQYVBMAZGCXCCH-TZMCWYRMSA-N 1 3 248.374 1.037 20 0 BDADHO C[C@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042496 343331622 /nfs/dbraw/zinc/33/16/22/343331622.db2.gz RSMVYKSRMNYPGO-VIFPVBQESA-N 1 3 221.304 1.034 20 0 BDADHO Cc1nccn1CCC[NH+]1[C@H](C)CNC[C@H]1C ZINC000348756157 136297791 /nfs/dbraw/zinc/29/77/91/136297791.db2.gz MLJCDHFRWXQENO-VXGBXAGGSA-N 1 3 236.363 1.264 20 0 BDADHO C[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+](C)C ZINC000038089267 343370498 /nfs/dbraw/zinc/37/04/98/343370498.db2.gz INPSIGVZKBUJBA-DGCLKSJQSA-N 1 3 249.358 1.143 20 0 BDADHO CC(C)(C)[NH+]1CCC(NC[C@@H](O)C2CC2)CC1 ZINC000348962851 136311063 /nfs/dbraw/zinc/31/10/63/136311063.db2.gz IISVDDNLKPLOIR-CYBMUJFWSA-N 1 3 240.391 1.610 20 0 BDADHO NCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000034721715 136341026 /nfs/dbraw/zinc/34/10/26/136341026.db2.gz SIQGHYPMKAIDNF-UHFFFAOYSA-N 1 3 208.349 1.750 20 0 BDADHO COCCC[N@@H+]1CCCC[C@@H]1CCN ZINC000082594497 343450325 /nfs/dbraw/zinc/45/03/25/343450325.db2.gz YTYARQKSETUOKI-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO COCCC[N@H+]1CCCC[C@@H]1CCN ZINC000082594497 343450327 /nfs/dbraw/zinc/45/03/27/343450327.db2.gz YTYARQKSETUOKI-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO COCCCN1CCCC[C@@H]1CC[NH3+] ZINC000082594497 343450329 /nfs/dbraw/zinc/45/03/29/343450329.db2.gz YTYARQKSETUOKI-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CC3CC3)CC[C@H]21 ZINC000247973814 136373467 /nfs/dbraw/zinc/37/34/67/136373467.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CC3CC3)CC[C@H]21 ZINC000247973814 136373468 /nfs/dbraw/zinc/37/34/68/136373468.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC000247973814 136373469 /nfs/dbraw/zinc/37/34/69/136373469.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000247973814 136373470 /nfs/dbraw/zinc/37/34/70/136373470.db2.gz HPPXMLGVMLDJHV-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO CSCCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602894653 349811738 /nfs/dbraw/zinc/81/17/38/349811738.db2.gz YQGHIYNAGCNBNQ-LBPRGKRZSA-N 1 3 246.420 1.128 20 0 BDADHO CN1CCC([NH2+]C[C@@H]2CCCN(C)C2)CC1 ZINC000044535164 343506316 /nfs/dbraw/zinc/50/63/16/343506316.db2.gz CPJLASQHADVAHK-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO CCO[C@H]1C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000576187631 343722484 /nfs/dbraw/zinc/72/24/84/343722484.db2.gz AARRYUZOEBRRAL-KGLIPLIRSA-N 1 3 238.375 1.628 20 0 BDADHO COC[C@@]12CCC[C@@H]1C[N@@H+](C1CCNCC1)C2 ZINC000409435037 343835601 /nfs/dbraw/zinc/83/56/01/343835601.db2.gz SBWLFHSGMLGBCY-OCCSQVGLSA-N 1 3 238.375 1.487 20 0 BDADHO COC[C@@]12CCC[C@@H]1C[N@H+](C1CCNCC1)C2 ZINC000409435037 343835604 /nfs/dbraw/zinc/83/56/04/343835604.db2.gz SBWLFHSGMLGBCY-OCCSQVGLSA-N 1 3 238.375 1.487 20 0 BDADHO Cc1cn[nH]c1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733869 344114553 /nfs/dbraw/zinc/11/45/53/344114553.db2.gz PZEYTUJELLWAJE-NSHDSACASA-N 1 3 236.363 1.586 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000634734162 344114566 /nfs/dbraw/zinc/11/45/66/344114566.db2.gz YJXMZVOKGVEAHX-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000634734163 344114632 /nfs/dbraw/zinc/11/46/32/344114632.db2.gz YJXMZVOKGVEAHX-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043989 344227725 /nfs/dbraw/zinc/22/77/25/344227725.db2.gz RBJSWACWBAWGCF-NAKRPEOUSA-N 1 3 248.317 1.374 20 0 BDADHO CSCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216897 344255167 /nfs/dbraw/zinc/25/51/67/344255167.db2.gz OVBLCCPUNLJXQZ-NXEZZACHSA-N 1 3 202.367 1.457 20 0 BDADHO COC(=O)CCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000600709089 344360887 /nfs/dbraw/zinc/36/08/87/344360887.db2.gz ODXITQHHEAMVCL-ZDUSSCGKSA-N 1 3 240.347 1.015 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000381211336 344485762 /nfs/dbraw/zinc/48/57/62/344485762.db2.gz DZCKFNRMGXMCKP-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726993 192075772 /nfs/dbraw/zinc/07/57/72/192075772.db2.gz LJVZVUQDZNIGEK-AVGNSLFASA-N 1 3 224.348 1.382 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726993 192075773 /nfs/dbraw/zinc/07/57/73/192075773.db2.gz LJVZVUQDZNIGEK-AVGNSLFASA-N 1 3 224.348 1.382 20 0 BDADHO CN1CC=C(C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000487568354 530047606 /nfs/dbraw/zinc/04/76/06/530047606.db2.gz COIHYTIZDRXAAF-IHWYPQMZSA-N 1 3 243.354 1.946 20 0 BDADHO CCO[C@@H]1C[C@H]1N[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000578497199 344887750 /nfs/dbraw/zinc/88/77/50/344887750.db2.gz BDIWJIAFXYDEGC-ZLKJLUDKSA-N 1 3 249.358 1.677 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000129222451 192079866 /nfs/dbraw/zinc/07/98/66/192079866.db2.gz SAMVTZULLWRYJN-OLZOCXBDSA-N 1 3 240.391 1.608 20 0 BDADHO C[C@]1(CNC(N)=[NH2+])CCCN1Cc1ccccc1 ZINC000153555918 344902459 /nfs/dbraw/zinc/90/24/59/344902459.db2.gz WRLWIUSNGBUKGI-CQSZACIVSA-N 1 3 246.358 1.524 20 0 BDADHO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000353562958 192080701 /nfs/dbraw/zinc/08/07/01/192080701.db2.gz CVCSRHHNYLDSAL-HZSPNIEDSA-N 1 3 241.423 1.787 20 0 BDADHO CC(C)[NH+]1CCC(NCCc2cn[nH]c2)CC1 ZINC000353627556 192080975 /nfs/dbraw/zinc/08/09/75/192080975.db2.gz LCKHGDXKHAXFTR-UHFFFAOYSA-N 1 3 236.363 1.415 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156009746 345117300 /nfs/dbraw/zinc/11/73/00/345117300.db2.gz YKLGLHWILXGARU-MGPQQGTHSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156009746 345117302 /nfs/dbraw/zinc/11/73/02/345117302.db2.gz YKLGLHWILXGARU-MGPQQGTHSA-N 1 3 248.374 1.488 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634993254 345189485 /nfs/dbraw/zinc/18/94/85/345189485.db2.gz ORYBSIXBBAJNDS-ROKHWSDSSA-N 1 3 237.391 1.010 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@@](C)(C[NH3+])C2)O1 ZINC000235348028 537890703 /nfs/dbraw/zinc/89/07/03/537890703.db2.gz BEKQYVJLHIGCSH-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@](C)(CN)C2)O1 ZINC000235348028 537890716 /nfs/dbraw/zinc/89/07/16/537890716.db2.gz BEKQYVJLHIGCSH-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@](C)(CN)C2)O1 ZINC000235348028 537890726 /nfs/dbraw/zinc/89/07/26/537890726.db2.gz BEKQYVJLHIGCSH-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO N[C@@H](CNCC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634994362 345181824 /nfs/dbraw/zinc/18/18/24/345181824.db2.gz AERUCYWFILNBAK-QRMWWUJWSA-N 1 3 231.343 1.028 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000156204235 345136285 /nfs/dbraw/zinc/13/62/85/345136285.db2.gz RBNTUYMZLJMOLR-YPMHNXCESA-N 1 3 236.363 1.264 20 0 BDADHO COC1(C[N@H+]2C[C@@H](CN)[C@H](C)C2)CCCC1 ZINC000634998291 345198367 /nfs/dbraw/zinc/19/83/67/345198367.db2.gz CYQZLRRFPCUXBB-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO COC1(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)CCCC1 ZINC000634998291 345198368 /nfs/dbraw/zinc/19/83/68/345198368.db2.gz CYQZLRRFPCUXBB-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO CCC[C@H](CCO)N[C@H]1C[NH2+]CC[C@H]1C ZINC000635003142 345205730 /nfs/dbraw/zinc/20/57/30/345205730.db2.gz GPAMMYMMYJWHPO-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCO1 ZINC000635011250 345213007 /nfs/dbraw/zinc/21/30/07/345213007.db2.gz MXFICXDIPYOPJU-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@H]1CCCO1 ZINC000635011250 345213010 /nfs/dbraw/zinc/21/30/10/345213010.db2.gz MXFICXDIPYOPJU-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012607 345214206 /nfs/dbraw/zinc/21/42/06/345214206.db2.gz UMZVBXAUEHFWPJ-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012516 345214596 /nfs/dbraw/zinc/21/45/96/345214596.db2.gz MUUZYTPJYHFCSS-LSDHHAIUSA-N 1 3 246.354 1.729 20 0 BDADHO CC(C)N1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000675054279 537893979 /nfs/dbraw/zinc/89/39/79/537893979.db2.gz PITNSCGGAJVDAM-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO COc1ccccc1[C@H]1CCN(CCC[NH3+])C1 ZINC000080581986 345311376 /nfs/dbraw/zinc/31/13/76/345311376.db2.gz WYVDWJWJSZZPOI-LBPRGKRZSA-N 1 3 234.343 1.833 20 0 BDADHO CCN1CCCC[C@@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000248836730 345717994 /nfs/dbraw/zinc/71/79/94/345717994.db2.gz DFIAOTSRUDMDDJ-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC[NH+](C)C)NCc1ccc2[nH]cnc2c1 ZINC000381396702 345799228 /nfs/dbraw/zinc/79/92/28/345799228.db2.gz VVJPSVGMIFNSMC-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO C[C@H](CC[NH+](C)C)NCc1ccc2nc[nH]c2c1 ZINC000381396702 345799231 /nfs/dbraw/zinc/79/92/31/345799231.db2.gz VVJPSVGMIFNSMC-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000381396702 345799234 /nfs/dbraw/zinc/79/92/34/345799234.db2.gz VVJPSVGMIFNSMC-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000168748059 535010865 /nfs/dbraw/zinc/01/08/65/535010865.db2.gz PFHUKGXSTJQILD-GFCCVEGCSA-N 1 3 213.369 1.058 20 0 BDADHO Cc1ccc(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000605575888 346024344 /nfs/dbraw/zinc/02/43/44/346024344.db2.gz ORTUTIKJBUVWCJ-GJZGRUSLSA-N 1 3 230.355 1.689 20 0 BDADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC(C)(C)N(C)C ZINC000152608815 346263728 /nfs/dbraw/zinc/26/37/28/346263728.db2.gz GGPOPSWOPDXTKN-RYUDHWBXSA-N 1 3 227.396 1.256 20 0 BDADHO c1n[nH]cc1CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000641798269 362743562 /nfs/dbraw/zinc/74/35/62/362743562.db2.gz DHNPFTWLMXSXNR-UONOGXRCSA-N 1 3 248.374 1.416 20 0 BDADHO CC[C@@H]1CN(CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641797616 362745273 /nfs/dbraw/zinc/74/52/73/362745273.db2.gz DLHCSSIWFIUFHZ-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO CCCCNC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000641803008 362759652 /nfs/dbraw/zinc/75/96/52/362759652.db2.gz QWOFEEKPLVOOHY-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CCCCNC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000641803011 362760478 /nfs/dbraw/zinc/76/04/78/362760478.db2.gz QWOFEEKPLVOOHY-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO CCCC[NH+]1CCC(NC[C@H](C)O)CC1 ZINC000563530755 323129280 /nfs/dbraw/zinc/12/92/80/323129280.db2.gz WVSYOJYOQPPPAM-NSHDSACASA-N 1 3 214.353 1.221 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000381657757 346592090 /nfs/dbraw/zinc/59/20/90/346592090.db2.gz DBWYAQWWGZJMIG-QJPTWQEYSA-N 1 3 214.353 1.517 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000187705681 346599645 /nfs/dbraw/zinc/59/96/45/346599645.db2.gz USMVYLLRWOPXOT-CHWSQXEVSA-N 1 3 228.380 1.590 20 0 BDADHO CC1(CN2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000622004115 370652564 /nfs/dbraw/zinc/65/25/64/370652564.db2.gz KOBCUQOJUAOGIC-AAEUAGOBSA-N 1 3 208.349 1.990 20 0 BDADHO CCCCOCCN[C@H]1CC[NH2+]CC1(C)C ZINC000300820812 347261267 /nfs/dbraw/zinc/26/12/67/347261267.db2.gz IRMNLSSPKBJQRI-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO CCCCOCC[NH2+][C@H]1CCNCC1(C)C ZINC000300820812 347261274 /nfs/dbraw/zinc/26/12/74/347261274.db2.gz IRMNLSSPKBJQRI-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000250682263 362817457 /nfs/dbraw/zinc/81/74/57/362817457.db2.gz YZFXFIXNIHVMIP-OUAUKWLOSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCS2)C1 ZINC000250682263 362817461 /nfs/dbraw/zinc/81/74/61/362817461.db2.gz YZFXFIXNIHVMIP-OUAUKWLOSA-N 1 3 214.378 1.742 20 0 BDADHO CCOC(=O)CC[C@H]1CCCN(CCC[NH3+])C1 ZINC000591272483 347636777 /nfs/dbraw/zinc/63/67/77/347636777.db2.gz UVPUANLOZQYZTQ-GFCCVEGCSA-N 1 3 242.363 1.391 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000305630844 323171162 /nfs/dbraw/zinc/17/11/62/323171162.db2.gz MLCMERUGQGCOQA-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000305630844 323171163 /nfs/dbraw/zinc/17/11/63/323171163.db2.gz MLCMERUGQGCOQA-BFHYXJOUSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)CSCCF)CN(C)C ZINC000595037767 348176570 /nfs/dbraw/zinc/17/65/70/348176570.db2.gz IAGLLJGKQGYGDH-QWRGUYRKSA-N 1 3 236.400 1.865 20 0 BDADHO C[C@@H](CN[C@@H](C)CSCCF)C[NH+](C)C ZINC000595037767 348176573 /nfs/dbraw/zinc/17/65/73/348176573.db2.gz IAGLLJGKQGYGDH-QWRGUYRKSA-N 1 3 236.400 1.865 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000251337832 362863664 /nfs/dbraw/zinc/86/36/64/362863664.db2.gz PTPCHCLMAWZAIG-UWVGGRQHSA-N 1 3 200.351 1.305 20 0 BDADHO N[C@H]1CCC[N@H+]([C@H]2CCCSC2)C1 ZINC000251337832 362863667 /nfs/dbraw/zinc/86/36/67/362863667.db2.gz PTPCHCLMAWZAIG-UWVGGRQHSA-N 1 3 200.351 1.305 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@H]2CN)O1 ZINC000251751697 362906380 /nfs/dbraw/zinc/90/63/80/362906380.db2.gz JUBNNJOMWWZCGI-WOPDTQHZSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@H]2CN)O1 ZINC000251751697 362906385 /nfs/dbraw/zinc/90/63/85/362906385.db2.gz JUBNNJOMWWZCGI-WOPDTQHZSA-N 1 3 212.337 1.367 20 0 BDADHO CC(C)OCC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000395063886 323186685 /nfs/dbraw/zinc/18/66/85/323186685.db2.gz ANPGCXPGAVECGI-VXGBXAGGSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H]1CCN(CCc2cccnc2)C[C@H]1C[NH3+] ZINC000253192694 348446011 /nfs/dbraw/zinc/44/60/11/348446011.db2.gz NNVRMDKQDSEFFF-TZMCWYRMSA-N 1 3 233.359 1.541 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000388379701 349998300 /nfs/dbraw/zinc/99/83/00/349998300.db2.gz KKXHUTYZBHQHRC-RYUDHWBXSA-N 1 3 214.353 1.663 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000596655489 348600176 /nfs/dbraw/zinc/60/01/76/348600176.db2.gz WBNHYWZQNOOEDL-FIQHERPVSA-N 1 3 242.363 1.162 20 0 BDADHO CCSC1(CN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000596650441 348606185 /nfs/dbraw/zinc/60/61/85/348606185.db2.gz ISAFRGDSWCCUFN-ZJUUUORDSA-N 1 3 214.378 1.742 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCCC[C@H]1CCN ZINC000253110351 349224283 /nfs/dbraw/zinc/22/42/83/349224283.db2.gz GDFAZGAUGUMLHW-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@H](C)C[N@H+]1CCCC[C@H]1CCN ZINC000253110351 349224286 /nfs/dbraw/zinc/22/42/86/349224286.db2.gz GDFAZGAUGUMLHW-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530214982 323216790 /nfs/dbraw/zinc/21/67/90/323216790.db2.gz ZNTWYSUYSHDCSF-MELADBBJSA-N 1 3 240.391 1.910 20 0 BDADHO NC1(C(=O)NC2CCC([NH3+])CC2)CCCCC1 ZINC000051694813 350052120 /nfs/dbraw/zinc/05/21/20/350052120.db2.gz JTUIKKVTRHXRHW-UHFFFAOYSA-N 1 3 239.363 1.034 20 0 BDADHO CCc1nn(C)cc1CN1CCC(C[NH3+])CC1 ZINC000168858443 490303993 /nfs/dbraw/zinc/30/39/93/490303993.db2.gz RRQDZRCBACIBDS-UHFFFAOYSA-N 1 3 236.363 1.153 20 0 BDADHO CCOC[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000132431043 191032806 /nfs/dbraw/zinc/03/28/06/191032806.db2.gz UXYYVNBYVHVCQV-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000132431043 191032808 /nfs/dbraw/zinc/03/28/08/191032808.db2.gz UXYYVNBYVHVCQV-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000133616469 191040920 /nfs/dbraw/zinc/04/09/20/191040920.db2.gz LVCASHZEYSNZAZ-JHJVBQTASA-N 1 3 228.380 1.730 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000133616469 191040923 /nfs/dbraw/zinc/04/09/23/191040923.db2.gz LVCASHZEYSNZAZ-JHJVBQTASA-N 1 3 228.380 1.730 20 0 BDADHO CCCC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427310171 191058481 /nfs/dbraw/zinc/05/84/81/191058481.db2.gz XOXPRXMRESRXDL-LBPRGKRZSA-N 1 3 235.331 1.601 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000623533453 362952299 /nfs/dbraw/zinc/95/22/99/362952299.db2.gz ALCRVBQAVVFPNV-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000623533453 362952305 /nfs/dbraw/zinc/95/23/05/362952305.db2.gz ALCRVBQAVVFPNV-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)CCSC ZINC000309292296 350256093 /nfs/dbraw/zinc/25/60/93/350256093.db2.gz WBXYJNZGBOGEJE-VXGBXAGGSA-N 1 3 248.436 1.372 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)CCSC ZINC000309292296 350256095 /nfs/dbraw/zinc/25/60/95/350256095.db2.gz WBXYJNZGBOGEJE-VXGBXAGGSA-N 1 3 248.436 1.372 20 0 BDADHO CCOC1CC([NH2+]CCCN2CCCC2)C1 ZINC000162778134 350425813 /nfs/dbraw/zinc/42/58/13/350425813.db2.gz FTJCTLOEYQEJPY-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CCOC1CC(NCCC[NH+]2CCCC2)C1 ZINC000162778134 350425816 /nfs/dbraw/zinc/42/58/16/350425816.db2.gz FTJCTLOEYQEJPY-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO Cc1nn(C)cc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000128252736 180372043 /nfs/dbraw/zinc/37/20/43/180372043.db2.gz YAQBAPFFTLXIGO-SNVBAGLBSA-N 1 3 236.363 1.288 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)O1 ZINC000384745660 350501630 /nfs/dbraw/zinc/50/16/30/350501630.db2.gz LZXXYXASPGNHHV-KQSJRHEJSA-N 1 3 212.337 1.140 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)[C@@H](C)O1 ZINC000384745660 350501633 /nfs/dbraw/zinc/50/16/33/350501633.db2.gz LZXXYXASPGNHHV-KQSJRHEJSA-N 1 3 212.337 1.140 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@@H](O)C2CCC2)CC1(C)C ZINC000623542951 362960905 /nfs/dbraw/zinc/96/09/05/362960905.db2.gz YGFFEUNKXOFSQC-QWHCGFSZSA-N 1 3 240.391 1.610 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@@H](O)C2CCC2)CC1(C)C ZINC000623542951 362960909 /nfs/dbraw/zinc/96/09/09/362960909.db2.gz YGFFEUNKXOFSQC-QWHCGFSZSA-N 1 3 240.391 1.610 20 0 BDADHO CCN(CC)CC[NH2+]C1CCN(C(C)C)CC1 ZINC000019919193 350851959 /nfs/dbraw/zinc/85/19/59/350851959.db2.gz VVQLLNXAHLWKNM-UHFFFAOYSA-N 1 3 241.423 1.791 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829950 350904023 /nfs/dbraw/zinc/90/40/23/350904023.db2.gz NJKWUPZMLQTWIG-XQHKEYJVSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000251829950 350904027 /nfs/dbraw/zinc/90/40/27/350904027.db2.gz NJKWUPZMLQTWIG-XQHKEYJVSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000251925669 362987374 /nfs/dbraw/zinc/98/73/74/362987374.db2.gz UXPSDSKJQIYQHK-MROQNXINSA-N 1 3 226.364 1.613 20 0 BDADHO [NH3+]CCN1CCNC[C@@H]1c1ccc(Cl)cc1 ZINC000616636164 351123831 /nfs/dbraw/zinc/12/38/31/351123831.db2.gz LGTOWNYKTKHCDD-GFCCVEGCSA-N 1 3 239.750 1.245 20 0 BDADHO CCC1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000571648455 351388746 /nfs/dbraw/zinc/38/87/46/351388746.db2.gz QUHXTOQKMMKAJG-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CCC1CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000571648455 351388749 /nfs/dbraw/zinc/38/87/49/351388749.db2.gz QUHXTOQKMMKAJG-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000572517196 363058099 /nfs/dbraw/zinc/05/80/99/363058099.db2.gz FQMTYTKTCGXEMK-GRYCIOLGSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000572517196 363058106 /nfs/dbraw/zinc/05/81/06/363058106.db2.gz FQMTYTKTCGXEMK-GRYCIOLGSA-N 1 3 241.379 1.103 20 0 BDADHO NCc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000637802252 351634239 /nfs/dbraw/zinc/63/42/39/351634239.db2.gz SVOGYMRGSAZFBI-UHFFFAOYSA-N 1 3 233.315 1.083 20 0 BDADHO CCCCOCCN[C@](C)(C[NH3+])C(C)C ZINC000336737134 351930484 /nfs/dbraw/zinc/93/04/84/351930484.db2.gz JDGRFZWWNOYTKU-GFCCVEGCSA-N 1 3 216.369 1.766 20 0 BDADHO CCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC000638145710 352008325 /nfs/dbraw/zinc/00/83/25/352008325.db2.gz KYWFQNZOUZBILC-UHFFFAOYSA-N 1 3 243.395 1.080 20 0 BDADHO CC[C@H](C)[C@@H](CN1CC[C@H](C[NH+](C)C)C1)OC ZINC000638076822 351950029 /nfs/dbraw/zinc/95/00/29/351950029.db2.gz NHNCPKPZFAGDDP-BFHYXJOUSA-N 1 3 242.407 1.931 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000638077937 351951195 /nfs/dbraw/zinc/95/11/95/351951195.db2.gz YORPZGQNJUCWHN-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000638131753 352001609 /nfs/dbraw/zinc/00/16/09/352001609.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000638131753 352001614 /nfs/dbraw/zinc/00/16/14/352001614.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638131753 352001616 /nfs/dbraw/zinc/00/16/16/352001616.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638131753 352001617 /nfs/dbraw/zinc/00/16/17/352001617.db2.gz DRBJMQCOCROVAD-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C(C)(C)C ZINC000308776783 187587007 /nfs/dbraw/zinc/58/70/07/187587007.db2.gz ARUPPJVZHHXYGO-WDEREUQCSA-N 1 3 217.353 1.390 20 0 BDADHO CO[C@H](CNCCC[NH+](C)C)C1CCCC1 ZINC000638290409 352126081 /nfs/dbraw/zinc/12/60/81/352126081.db2.gz SGUQQWMEWPZPFG-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO CC[NH2+][C@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000638273222 352110923 /nfs/dbraw/zinc/11/09/23/352110923.db2.gz ZPWZAWVONVTEOM-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[C@H]1CCO1 ZINC000638378475 352189349 /nfs/dbraw/zinc/18/93/49/352189349.db2.gz XEQWBVJKCGJDGG-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO C(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C[C@H]1CCO1 ZINC000638378475 352189352 /nfs/dbraw/zinc/18/93/52/352189352.db2.gz XEQWBVJKCGJDGG-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[NH2+][C@@H]1CCN2CCC[C@H]2C1)C[C@H]1CCO1 ZINC000638378475 352189355 /nfs/dbraw/zinc/18/93/55/352189355.db2.gz XEQWBVJKCGJDGG-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638381343 352193113 /nfs/dbraw/zinc/19/31/13/352193113.db2.gz KIVSWSOQXXBNDO-HSBZDZAISA-N 1 3 248.374 1.518 20 0 BDADHO C[C@H](C[NH2+]CCC[C@H]1CCO1)CN1CCCC1 ZINC000638385333 352195791 /nfs/dbraw/zinc/19/57/91/352195791.db2.gz HWQWVWIJOGZFOP-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638410247 352217427 /nfs/dbraw/zinc/21/74/27/352217427.db2.gz YIISTLAGQIPXGI-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638410247 352217428 /nfs/dbraw/zinc/21/74/28/352217428.db2.gz YIISTLAGQIPXGI-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000638410247 352217431 /nfs/dbraw/zinc/21/74/31/352217431.db2.gz YIISTLAGQIPXGI-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638409442 352218425 /nfs/dbraw/zinc/21/84/25/352218425.db2.gz MHDKIBGIAZPOLH-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000415003824 352479313 /nfs/dbraw/zinc/47/93/13/352479313.db2.gz XPBBMBMEHXREOJ-NWDGAFQWSA-N 1 3 249.358 1.703 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CC1(F)F ZINC000638681584 352518967 /nfs/dbraw/zinc/51/89/67/352518967.db2.gz KSCAPXRJJSZAMC-ZJUUUORDSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CC1(F)F ZINC000638681582 352519157 /nfs/dbraw/zinc/51/91/57/352519157.db2.gz KSCAPXRJJSZAMC-VHSXEESVSA-N 1 3 248.317 1.076 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)N ZINC000040920174 352600323 /nfs/dbraw/zinc/60/03/23/352600323.db2.gz ZYTKMKNLLDYHTH-LLVKDONJSA-N 1 3 243.395 1.350 20 0 BDADHO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300403433 352562708 /nfs/dbraw/zinc/56/27/08/352562708.db2.gz ZLYQDKGDMLIYBG-SRVKXCTJSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H](N)c1ccccc1 ZINC000638938934 353121280 /nfs/dbraw/zinc/12/12/80/353121280.db2.gz ZFSRTLKYYSODQA-RTXFEEFZSA-N 1 3 247.342 1.025 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000037619101 358474989 /nfs/dbraw/zinc/47/49/89/358474989.db2.gz OUVGUSLMBSTMAA-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)([NH3+])CNCCc1ccc(F)cc1 ZINC000258819348 535209526 /nfs/dbraw/zinc/20/95/26/535209526.db2.gz LKIQMETXGGOBRU-UHFFFAOYSA-N 1 3 210.296 1.695 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000361414749 188244460 /nfs/dbraw/zinc/24/44/60/188244460.db2.gz LPXFHXUHBTXAAZ-ZIAGYGMSSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000361414749 188244462 /nfs/dbraw/zinc/24/44/62/188244462.db2.gz LPXFHXUHBTXAAZ-ZIAGYGMSSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713430 188247530 /nfs/dbraw/zinc/24/75/30/188247530.db2.gz PECSYPZHBJECTM-NSHDSACASA-N 1 3 241.379 1.138 20 0 BDADHO CC(C)(CCO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408662 188248608 /nfs/dbraw/zinc/24/86/08/188248608.db2.gz GRIQLGRTLQTMKY-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(CCO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408662 188248610 /nfs/dbraw/zinc/24/86/10/188248610.db2.gz GRIQLGRTLQTMKY-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCN1C ZINC000261937000 535238608 /nfs/dbraw/zinc/23/86/08/535238608.db2.gz MFDGBZADELVYAV-UONOGXRCSA-N 1 3 239.407 1.258 20 0 BDADHO CN(CCCn1ccnc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343313947 353624227 /nfs/dbraw/zinc/62/42/27/353624227.db2.gz LALAAIRTIJZEEI-AWEZNQCLSA-N 1 3 248.374 1.442 20 0 BDADHO CN(CCCn1ccnc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000343313947 353624228 /nfs/dbraw/zinc/62/42/28/353624228.db2.gz LALAAIRTIJZEEI-AWEZNQCLSA-N 1 3 248.374 1.442 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000119996688 353691178 /nfs/dbraw/zinc/69/11/78/353691178.db2.gz JUSIIVSPKBVNDH-CYBMUJFWSA-N 1 3 226.364 1.297 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC000119996688 353691182 /nfs/dbraw/zinc/69/11/82/353691182.db2.gz JUSIIVSPKBVNDH-CYBMUJFWSA-N 1 3 226.364 1.297 20 0 BDADHO CC(C)(NCC[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000232559549 353732992 /nfs/dbraw/zinc/73/29/92/353732992.db2.gz NDNJXVKZXKTWCA-JTQLQIEISA-N 1 3 239.388 1.967 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@@]2(C)CC[NH2+]C2)O1 ZINC000398093006 324216891 /nfs/dbraw/zinc/21/68/91/324216891.db2.gz STEAIXBAGZVLQO-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H](F)CN(C)CCC[N@H+](C)CCN(C)C ZINC000344032823 354095655 /nfs/dbraw/zinc/09/56/55/354095655.db2.gz DSOCJRSBVPYRQR-ZDUSSCGKSA-N 1 3 247.402 1.550 20 0 BDADHO CC[C@H](F)CN(C)CCC[N@@H+](C)CCN(C)C ZINC000344032823 354095660 /nfs/dbraw/zinc/09/56/60/354095660.db2.gz DSOCJRSBVPYRQR-ZDUSSCGKSA-N 1 3 247.402 1.550 20 0 BDADHO C[C@H]1CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000231675930 363347726 /nfs/dbraw/zinc/34/77/26/363347726.db2.gz ZKTZMWRSFBSUQN-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177797 354251382 /nfs/dbraw/zinc/25/13/82/354251382.db2.gz GOSLOOVRSNSSMV-YPMHNXCESA-N 1 3 249.358 1.559 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177797 354251384 /nfs/dbraw/zinc/25/13/84/354251384.db2.gz GOSLOOVRSNSSMV-YPMHNXCESA-N 1 3 249.358 1.559 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCC2=CCCOC2)[C@H](C)C1 ZINC000344511179 354291559 /nfs/dbraw/zinc/29/15/59/354291559.db2.gz IINBRCMIBPJHGX-TZMCWYRMSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@@H](NCC2=CCCOC2)[C@H](C)C1 ZINC000344511179 354291561 /nfs/dbraw/zinc/29/15/61/354291561.db2.gz IINBRCMIBPJHGX-TZMCWYRMSA-N 1 3 238.375 1.653 20 0 BDADHO CN(C)C1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000334707690 354501981 /nfs/dbraw/zinc/50/19/81/354501981.db2.gz GVOXQLYFFPKJTG-NSHDSACASA-N 1 3 228.405 1.766 20 0 BDADHO C[NH+](C)C1CCN(C[C@@H]2CCSC2)CC1 ZINC000334707690 354501986 /nfs/dbraw/zinc/50/19/86/354501986.db2.gz GVOXQLYFFPKJTG-NSHDSACASA-N 1 3 228.405 1.766 20 0 BDADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203043 354608992 /nfs/dbraw/zinc/60/89/92/354608992.db2.gz GBNCQDSNXSXKMB-AWEZNQCLSA-N 1 3 247.342 1.315 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(=O)[nH]c3)C2)C1 ZINC000639203043 354608995 /nfs/dbraw/zinc/60/89/95/354608995.db2.gz GBNCQDSNXSXKMB-AWEZNQCLSA-N 1 3 247.342 1.315 20 0 BDADHO CC(C)COCC[N@H+](C)C1CCNCC1 ZINC000232634901 363378913 /nfs/dbraw/zinc/37/89/13/363378913.db2.gz CQMWRSRSAKMKSV-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO CC(C)COCC[N@@H+](C)C1CCNCC1 ZINC000232634901 363378918 /nfs/dbraw/zinc/37/89/18/363378918.db2.gz CQMWRSRSAKMKSV-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000345877750 354794260 /nfs/dbraw/zinc/79/42/60/354794260.db2.gz CLHHKVVWQBJSEA-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](CO)N(C)CC[C@H]1CCC[N@H+]1C ZINC000345877750 354794264 /nfs/dbraw/zinc/79/42/64/354794264.db2.gz CLHHKVVWQBJSEA-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000346460652 354964891 /nfs/dbraw/zinc/96/48/91/354964891.db2.gz MXUZTBUEHZZEAW-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000346460652 354964893 /nfs/dbraw/zinc/96/48/93/354964893.db2.gz MXUZTBUEHZZEAW-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000346460652 354964896 /nfs/dbraw/zinc/96/48/96/354964896.db2.gz MXUZTBUEHZZEAW-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO CCOc1cccc(CN2CCC(C[NH3+])CC2)n1 ZINC000346688755 355014119 /nfs/dbraw/zinc/01/41/19/355014119.db2.gz OHAGXZRUHBGDII-UHFFFAOYSA-N 1 3 249.358 1.651 20 0 BDADHO CN(Cc1cccc2c[nH]nc21)CC(C)(C)C[NH3+] ZINC000346647127 355017854 /nfs/dbraw/zinc/01/78/54/355017854.db2.gz FTEVNDLJWUTOKF-UHFFFAOYSA-N 1 3 246.358 1.980 20 0 BDADHO C[N@H+](Cc1cccc2c[nH]nc21)CC(C)(C)CN ZINC000346647127 355017855 /nfs/dbraw/zinc/01/78/55/355017855.db2.gz FTEVNDLJWUTOKF-UHFFFAOYSA-N 1 3 246.358 1.980 20 0 BDADHO C[N@@H+](Cc1cccc2c[nH]nc21)CC(C)(C)CN ZINC000346647127 355017859 /nfs/dbraw/zinc/01/78/59/355017859.db2.gz FTEVNDLJWUTOKF-UHFFFAOYSA-N 1 3 246.358 1.980 20 0 BDADHO C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C1CNC1 ZINC000335220892 355061080 /nfs/dbraw/zinc/06/10/80/355061080.db2.gz VUOQNMODXBCXKN-NHYWBVRUSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@H](N[C@H]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000335220892 355061082 /nfs/dbraw/zinc/06/10/82/355061082.db2.gz VUOQNMODXBCXKN-NHYWBVRUSA-N 1 3 230.355 1.741 20 0 BDADHO CCOC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346971032 355207417 /nfs/dbraw/zinc/20/74/17/355207417.db2.gz GUNLGCTXJYUUOD-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346971032 355207418 /nfs/dbraw/zinc/20/74/18/355207418.db2.gz GUNLGCTXJYUUOD-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971032 355207420 /nfs/dbraw/zinc/20/74/20/355207420.db2.gz GUNLGCTXJYUUOD-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CN(C[C@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000346988384 355188447 /nfs/dbraw/zinc/18/84/47/355188447.db2.gz QYAJIJBNVNZJQB-RYUDHWBXSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@H+](C[C@H]1CCCNC1)[C@@H](CO)C(C)(C)C ZINC000346988384 355188448 /nfs/dbraw/zinc/18/84/48/355188448.db2.gz QYAJIJBNVNZJQB-RYUDHWBXSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@@H+](C[C@H]1CCCNC1)[C@@H](CO)C(C)(C)C ZINC000346988384 355188450 /nfs/dbraw/zinc/18/84/50/355188450.db2.gz QYAJIJBNVNZJQB-RYUDHWBXSA-N 1 3 228.380 1.325 20 0 BDADHO CN(C[C@H]1CCC[NH2+]C1)[C@H](CO)C(C)(C)C ZINC000346988382 355188523 /nfs/dbraw/zinc/18/85/23/355188523.db2.gz QYAJIJBNVNZJQB-NWDGAFQWSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@H+](C[C@H]1CCCNC1)[C@H](CO)C(C)(C)C ZINC000346988382 355188524 /nfs/dbraw/zinc/18/85/24/355188524.db2.gz QYAJIJBNVNZJQB-NWDGAFQWSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@@H+](C[C@H]1CCCNC1)[C@H](CO)C(C)(C)C ZINC000346988382 355188525 /nfs/dbraw/zinc/18/85/25/355188525.db2.gz QYAJIJBNVNZJQB-NWDGAFQWSA-N 1 3 228.380 1.325 20 0 BDADHO CCC1(CO)CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346996345 355194971 /nfs/dbraw/zinc/19/49/71/355194971.db2.gz WLYCNCRMJCRBAZ-ZDUSSCGKSA-N 1 3 240.391 1.471 20 0 BDADHO CCC1(CO)CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346996345 355194972 /nfs/dbraw/zinc/19/49/72/355194972.db2.gz WLYCNCRMJCRBAZ-ZDUSSCGKSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@H](N)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347612627 355235615 /nfs/dbraw/zinc/23/56/15/355235615.db2.gz NCCPUFZMEQEGNL-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)OC ZINC000412979010 191347863 /nfs/dbraw/zinc/34/78/63/191347863.db2.gz RQWOEEVTSFSGCO-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)OC ZINC000412979010 191347865 /nfs/dbraw/zinc/34/78/65/191347865.db2.gz RQWOEEVTSFSGCO-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO c1ccc2c(c1)CNCCN2C[C@H]1CCC[NH2+]C1 ZINC000335801420 355494599 /nfs/dbraw/zinc/49/45/99/355494599.db2.gz ZATIHYPIMDJKFD-ZDUSSCGKSA-N 1 3 245.370 1.596 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000349963049 355542780 /nfs/dbraw/zinc/54/27/80/355542780.db2.gz OEBIBWKAGXLFPY-MDZLAQPJSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@@H](CC[NH3+])NCc1c[nH]nc1-c1ccccc1 ZINC000414894254 191618360 /nfs/dbraw/zinc/61/83/60/191618360.db2.gz ZGIZKAMPALLTLM-NSHDSACASA-N 1 3 244.342 1.904 20 0 BDADHO COc1cccc2c1CC[C@H]2NCCC[NH3+] ZINC000415093825 191677130 /nfs/dbraw/zinc/67/71/30/191677130.db2.gz WDYWZIJNBNKTIU-GFCCVEGCSA-N 1 3 220.316 1.621 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000583558635 355609029 /nfs/dbraw/zinc/60/90/29/355609029.db2.gz AQAGDTKHPVHJAV-STQMWFEESA-N 1 3 239.407 1.589 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000639345926 355792588 /nfs/dbraw/zinc/79/25/88/355792588.db2.gz CUHILIBAQKNLBX-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccnn1C ZINC000192249720 356078501 /nfs/dbraw/zinc/07/85/01/356078501.db2.gz JRCNPMXQMBPFOY-RYUDHWBXSA-N 1 3 248.374 1.555 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CCCc2ccncc2)C1 ZINC000420264924 192191808 /nfs/dbraw/zinc/19/18/08/192191808.db2.gz ATONPYCDDKEPOC-HNNXBMFYSA-N 1 3 247.386 1.946 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000420297595 192204590 /nfs/dbraw/zinc/20/45/90/192204590.db2.gz YVHRCIDEQOUZNZ-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO C(C[N@@H+]1CCC[C@@H]1C1CCC1)N1CCNCC1 ZINC000420297486 192205330 /nfs/dbraw/zinc/20/53/30/192205330.db2.gz FYNYVPMCJJHUPD-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO C(C[N@H+]1CCC[C@@H]1C1CCC1)N1CCNCC1 ZINC000420297486 192205332 /nfs/dbraw/zinc/20/53/32/192205332.db2.gz FYNYVPMCJJHUPD-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO COC(=O)CC1(CN[C@](C)(C[NH3+])C2CC2)CC1 ZINC000420295850 192205713 /nfs/dbraw/zinc/20/57/13/192205713.db2.gz AZSUXPIOZDQGNS-GFCCVEGCSA-N 1 3 240.347 1.047 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000420272912 192197021 /nfs/dbraw/zinc/19/70/21/192197021.db2.gz MSSWYIPCAAEYPV-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000420272912 192197023 /nfs/dbraw/zinc/19/70/23/192197023.db2.gz MSSWYIPCAAEYPV-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)OC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000420283598 192199409 /nfs/dbraw/zinc/19/94/09/192199409.db2.gz CGZBSDCPQYCMML-UHFFFAOYSA-N 1 3 230.352 1.245 20 0 BDADHO CC(C)OC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000420283598 192199412 /nfs/dbraw/zinc/19/94/12/192199412.db2.gz CGZBSDCPQYCMML-UHFFFAOYSA-N 1 3 230.352 1.245 20 0 BDADHO CC(C)OC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000420283598 192199414 /nfs/dbraw/zinc/19/94/14/192199414.db2.gz CGZBSDCPQYCMML-UHFFFAOYSA-N 1 3 230.352 1.245 20 0 BDADHO CC[NH2+]CC1CCN(CCC(=O)OCC)CC1 ZINC000420290085 192201910 /nfs/dbraw/zinc/20/19/10/192201910.db2.gz LGXFKWOQBKAXKP-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO CCCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420334983 192215190 /nfs/dbraw/zinc/21/51/90/192215190.db2.gz UQGWTQKYPSLUGX-LBPRGKRZSA-N 1 3 226.364 1.474 20 0 BDADHO CCCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420334983 192215192 /nfs/dbraw/zinc/21/51/92/192215192.db2.gz UQGWTQKYPSLUGX-LBPRGKRZSA-N 1 3 226.364 1.474 20 0 BDADHO CCCCOCCN[C@H](C[NH3+])C(C)(C)C ZINC000420352985 192218450 /nfs/dbraw/zinc/21/84/50/192218450.db2.gz BDYJREGWPDDJLY-LLVKDONJSA-N 1 3 216.369 1.766 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000420299501 192207892 /nfs/dbraw/zinc/20/78/92/192207892.db2.gz GQVMDDBADIEIHW-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@H]1CCCCO1 ZINC000420308134 192210905 /nfs/dbraw/zinc/21/09/05/192210905.db2.gz CLQPQEHGNOYPGN-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@H]1CCCCO1 ZINC000420308134 192210907 /nfs/dbraw/zinc/21/09/07/192210907.db2.gz CLQPQEHGNOYPGN-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO C[NH2+]CCCN1CC[C@@H](C2CCOCC2)C1 ZINC000420367421 192226080 /nfs/dbraw/zinc/22/60/80/192226080.db2.gz VUUTXDZOKNLSIP-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CNCCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000420367421 192226082 /nfs/dbraw/zinc/22/60/82/192226082.db2.gz VUUTXDZOKNLSIP-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CNCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000420367421 192226084 /nfs/dbraw/zinc/22/60/84/192226084.db2.gz VUUTXDZOKNLSIP-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)[NH2+]C1CCN(C[C@H]2CCO[C@@H]2C)CC1 ZINC000639527508 356376900 /nfs/dbraw/zinc/37/69/00/356376900.db2.gz RRNJYFKTUNFHGE-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)C[C@@H](CNC(=O)[C@H](N)C(C)C)[NH+](C)C ZINC000040831273 358503245 /nfs/dbraw/zinc/50/32/45/358503245.db2.gz LRLBUXOXKUELGP-NWDGAFQWSA-N 1 3 243.395 1.062 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC[C@H]1CCCCO1 ZINC000420381233 192234241 /nfs/dbraw/zinc/23/42/41/192234241.db2.gz ZBIQHUHURXHPAP-SYQHCUMBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000420383706 192235665 /nfs/dbraw/zinc/23/56/65/192235665.db2.gz ZWBWSHZWZBUKBO-SCRDCRAPSA-N 1 3 237.391 1.282 20 0 BDADHO CC(C)C[C@H]1OCCC[C@H]1NCC[NH3+] ZINC000420404952 192238022 /nfs/dbraw/zinc/23/80/22/192238022.db2.gz MMNUCOFQZSRLSS-GHMZBOCLSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420412520 192240176 /nfs/dbraw/zinc/24/01/76/192240176.db2.gz SGYNQWJREWEEJN-YUTCNCBUSA-N 1 3 233.359 1.369 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420412520 192240179 /nfs/dbraw/zinc/24/01/79/192240179.db2.gz SGYNQWJREWEEJN-YUTCNCBUSA-N 1 3 233.359 1.369 20 0 BDADHO c1c[nH]c([C@@H]2CCCN2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420376712 192232146 /nfs/dbraw/zinc/23/21/46/192232146.db2.gz QZEZZNFWDSGFKE-RYUDHWBXSA-N 1 3 234.347 1.546 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000420378673 192233280 /nfs/dbraw/zinc/23/32/80/192233280.db2.gz BIUUUYLIFSXHGL-OKILXGFUSA-N 1 3 248.374 1.408 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000420378673 192233282 /nfs/dbraw/zinc/23/32/82/192233282.db2.gz BIUUUYLIFSXHGL-OKILXGFUSA-N 1 3 248.374 1.408 20 0 BDADHO CC(C)OCCCN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420380665 192233558 /nfs/dbraw/zinc/23/35/58/192233558.db2.gz YNECDMJKUGVTSC-JHJVBQTASA-N 1 3 228.380 1.778 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)[C@@H]1CCCOC1 ZINC000352219648 134108981 /nfs/dbraw/zinc/10/89/81/134108981.db2.gz DYPNYUYURQFXKW-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000352219648 134108982 /nfs/dbraw/zinc/10/89/82/134108982.db2.gz DYPNYUYURQFXKW-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000639614035 356532032 /nfs/dbraw/zinc/53/20/32/356532032.db2.gz WVECLRMKZJGYMM-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000639614035 356532036 /nfs/dbraw/zinc/53/20/36/356532036.db2.gz WVECLRMKZJGYMM-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682661 356593367 /nfs/dbraw/zinc/59/33/67/356593367.db2.gz IACXLKDBVMYUHR-AWEZNQCLSA-N 1 3 249.358 1.365 20 0 BDADHO CC[C@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682661 356593370 /nfs/dbraw/zinc/59/33/70/356593370.db2.gz IACXLKDBVMYUHR-AWEZNQCLSA-N 1 3 249.358 1.365 20 0 BDADHO c1cc(N2CCCN([C@H]3CCOC3)CC2)cc[nH+]1 ZINC000639683710 356599773 /nfs/dbraw/zinc/59/97/73/356599773.db2.gz MMJYXUSUDADSTE-AWEZNQCLSA-N 1 3 247.342 1.383 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2ccccn2)C1 ZINC000422963909 192529054 /nfs/dbraw/zinc/52/90/54/192529054.db2.gz HGAXUTAZLNPZHX-RWMBFGLXSA-N 1 3 248.374 1.376 20 0 BDADHO C[C@@H](NCC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000423030931 192544108 /nfs/dbraw/zinc/54/41/08/192544108.db2.gz KISCTQCXYBDGDA-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000130157260 325018489 /nfs/dbraw/zinc/01/84/89/325018489.db2.gz MTROGMRTUGCPBV-QJPTWQEYSA-N 1 3 213.369 1.009 20 0 BDADHO C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)C1CNC1 ZINC000423132420 192579928 /nfs/dbraw/zinc/57/99/28/192579928.db2.gz JGCMRKKTONZDIZ-SMDDNHRTSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@H](NC[C@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132420 192579930 /nfs/dbraw/zinc/57/99/30/192579930.db2.gz JGCMRKKTONZDIZ-SMDDNHRTSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000578193617 366379873 /nfs/dbraw/zinc/37/98/73/366379873.db2.gz IRUWKYMBHVQAKB-NAKRPEOUSA-N 1 3 202.317 1.983 20 0 BDADHO CCC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000450468774 202175186 /nfs/dbraw/zinc/17/51/86/202175186.db2.gz PFARACSTLQSAIV-MJBXVCDLSA-N 1 3 242.407 1.952 20 0 BDADHO CCC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000450468774 202175188 /nfs/dbraw/zinc/17/51/88/202175188.db2.gz PFARACSTLQSAIV-MJBXVCDLSA-N 1 3 242.407 1.952 20 0 BDADHO CN1CCC[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000623372511 356880727 /nfs/dbraw/zinc/88/07/27/356880727.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372511 356880728 /nfs/dbraw/zinc/88/07/28/356880728.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372511 356880731 /nfs/dbraw/zinc/88/07/31/356880731.db2.gz XIJPOIQKYSNDRP-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000623372508 356881240 /nfs/dbraw/zinc/88/12/40/356881240.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623372508 356881242 /nfs/dbraw/zinc/88/12/42/356881242.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CCC[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623372508 356881246 /nfs/dbraw/zinc/88/12/46/356881246.db2.gz XIJPOIQKYSNDRP-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO C[NH2+]CCCN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423199314 192623460 /nfs/dbraw/zinc/62/34/60/192623460.db2.gz JQUJDVXILLNSPE-NEPJUHHUSA-N 1 3 228.380 1.778 20 0 BDADHO CCCCOCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119571973 357028679 /nfs/dbraw/zinc/02/86/79/357028679.db2.gz BFMIDVPFBFLHAT-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CCCCOCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119571973 357028681 /nfs/dbraw/zinc/02/86/81/357028681.db2.gz BFMIDVPFBFLHAT-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000389783441 357031835 /nfs/dbraw/zinc/03/18/35/357031835.db2.gz JSTMEGMHFJWMSC-ZFWWWQNUSA-N 1 3 247.386 1.445 20 0 BDADHO C[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CCCCN1 ZINC000389982117 357076784 /nfs/dbraw/zinc/07/67/84/357076784.db2.gz YBXAYRXVCCXDSL-YPMHNXCESA-N 1 3 234.347 1.139 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCOC1 ZINC000582546435 357331901 /nfs/dbraw/zinc/33/19/01/357331901.db2.gz RNZGSPCIOTXDOX-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000582602133 357348621 /nfs/dbraw/zinc/34/86/21/357348621.db2.gz KQBLJQCMQCDKKQ-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CN1CCC(O)(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000397613007 357627707 /nfs/dbraw/zinc/62/77/07/357627707.db2.gz SDPASVZAGGTWRE-UHFFFAOYSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)CCCO1 ZINC000188996300 357599871 /nfs/dbraw/zinc/59/98/71/357599871.db2.gz JTDJSVCYPPBIND-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)CCCO1 ZINC000188996300 357599875 /nfs/dbraw/zinc/59/98/75/357599875.db2.gz JTDJSVCYPPBIND-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H](Cc1ccsc1)N[C@@H](C)C1C[NH2+]C1 ZINC000583257238 357732778 /nfs/dbraw/zinc/73/27/78/357732778.db2.gz QQVYAXGYCVIVEE-UWVGGRQHSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C1CNC1 ZINC000583257238 357732781 /nfs/dbraw/zinc/73/27/81/357732781.db2.gz QQVYAXGYCVIVEE-UWVGGRQHSA-N 1 3 224.373 1.877 20 0 BDADHO CCC[N@H+](CCO)CCCN(CC)CC ZINC000191441168 357771328 /nfs/dbraw/zinc/77/13/28/357771328.db2.gz DCMUVVFBPULHIV-UHFFFAOYSA-N 1 3 216.369 1.423 20 0 BDADHO CCC[N@@H+](CCO)CCCN(CC)CC ZINC000191441168 357771332 /nfs/dbraw/zinc/77/13/32/357771332.db2.gz DCMUVVFBPULHIV-UHFFFAOYSA-N 1 3 216.369 1.423 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)O1 ZINC000398193713 357860222 /nfs/dbraw/zinc/86/02/22/357860222.db2.gz YHQBIUNIYKIXBE-NOOOWODRSA-N 1 3 212.337 1.413 20 0 BDADHO CCC[C@@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416039 357828939 /nfs/dbraw/zinc/82/89/39/357828939.db2.gz GTKLDSLCUREWKI-NWDGAFQWSA-N 1 3 228.380 1.610 20 0 BDADHO CCC[C@@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416039 357828943 /nfs/dbraw/zinc/82/89/43/357828943.db2.gz GTKLDSLCUREWKI-NWDGAFQWSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@@H](NCC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386372887 357833600 /nfs/dbraw/zinc/83/36/00/357833600.db2.gz BOUWEMJSCVRNHN-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1cscc1C ZINC000234734051 357833667 /nfs/dbraw/zinc/83/36/67/357833667.db2.gz WPXRSKOTMVNROL-GFCCVEGCSA-N 1 3 242.388 1.900 20 0 BDADHO Cc1c[nH+]ccc1NC[C@H](C)N1CCN(C)CC1 ZINC000192558971 357844569 /nfs/dbraw/zinc/84/45/69/357844569.db2.gz NAPZICICHVHGIO-ZDUSSCGKSA-N 1 3 248.374 1.438 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCCO ZINC000235113455 357846626 /nfs/dbraw/zinc/84/66/26/357846626.db2.gz NSTOFDFKBGPDAZ-STQMWFEESA-N 1 3 228.380 1.659 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCCO ZINC000235467736 357869879 /nfs/dbraw/zinc/86/98/79/357869879.db2.gz NSTOFDFKBGPDAZ-OLZOCXBDSA-N 1 3 228.380 1.659 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000217538076 357908628 /nfs/dbraw/zinc/90/86/28/357908628.db2.gz ZRUHHLMXGSBVML-UTUOFQBUSA-N 1 3 225.380 1.329 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@H]1CCCC1(C)C ZINC000584415529 357915888 /nfs/dbraw/zinc/91/58/88/357915888.db2.gz MQBFWHJYEGGUBL-JQWIXIFHSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](N)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017262 358063740 /nfs/dbraw/zinc/06/37/40/358063740.db2.gz UYOMQUWQWMQLEH-NSHDSACASA-N 1 3 247.342 1.568 20 0 BDADHO C[C@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000169237626 134249963 /nfs/dbraw/zinc/24/99/63/134249963.db2.gz USSFRRDPOWPLCP-UWJYBYFXSA-N 1 3 206.289 1.102 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000217736779 134250429 /nfs/dbraw/zinc/25/04/29/134250429.db2.gz JAVBHRHMNUEONP-ZLKJLUDKSA-N 1 3 234.343 1.882 20 0 BDADHO CCc1ccc(CNC[C@H](C)C[NH3+])s1 ZINC000225373027 358240641 /nfs/dbraw/zinc/24/06/41/358240641.db2.gz GJPPQHBFZDEHIG-SECBINFHSA-N 1 3 212.362 1.995 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000227914073 358366883 /nfs/dbraw/zinc/36/68/83/358366883.db2.gz DTQGYDIJPIEVTC-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000228898535 358387373 /nfs/dbraw/zinc/38/73/73/358387373.db2.gz KJTKHHLAGNVZHT-BBBLOLIVSA-N 1 3 202.367 1.597 20 0 BDADHO CS[C@H](C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000228898535 358387377 /nfs/dbraw/zinc/38/73/77/358387377.db2.gz KJTKHHLAGNVZHT-BBBLOLIVSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CC[C@@H]1CCCO1 ZINC000044510346 358388928 /nfs/dbraw/zinc/38/89/28/358388928.db2.gz BCDMCJMCPHYNAA-UTUOFQBUSA-N 1 3 212.337 1.367 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H]1CCCO1 ZINC000173952217 134277312 /nfs/dbraw/zinc/27/73/12/134277312.db2.gz FXQZOKPVTZUWGO-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000173952217 134277313 /nfs/dbraw/zinc/27/73/13/134277313.db2.gz FXQZOKPVTZUWGO-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000230209555 358395781 /nfs/dbraw/zinc/39/57/81/358395781.db2.gz DLYYIGLMBAYDTF-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO CCC(CC)(CO)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000230209555 358395782 /nfs/dbraw/zinc/39/57/82/358395782.db2.gz DLYYIGLMBAYDTF-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130251864 358615084 /nfs/dbraw/zinc/61/50/84/358615084.db2.gz IKABRSCPQHLURP-MCIONIFRSA-N 1 3 238.375 1.628 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000130251864 358615085 /nfs/dbraw/zinc/61/50/85/358615085.db2.gz IKABRSCPQHLURP-MCIONIFRSA-N 1 3 238.375 1.628 20 0 BDADHO CN1CCCC[C@@H]1CC[NH+]1CCC(O)CC1 ZINC000049856235 358703426 /nfs/dbraw/zinc/70/34/26/358703426.db2.gz PKDQLYGPABERRF-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](CO)C1 ZINC000049774086 358700644 /nfs/dbraw/zinc/70/06/44/358700644.db2.gz LGHIGZXFUQWJOZ-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](CO)C1 ZINC000049774086 358700646 /nfs/dbraw/zinc/70/06/46/358700646.db2.gz LGHIGZXFUQWJOZ-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CN(C)CCC[N@H+](C)Cc1ccc(O)cc1 ZINC000132413564 491135900 /nfs/dbraw/zinc/13/59/00/491135900.db2.gz MUKSJVPIPXAIRB-UHFFFAOYSA-N 1 3 222.332 1.776 20 0 BDADHO CN(C)CCC[N@@H+](C)Cc1ccc(O)cc1 ZINC000132413564 491135901 /nfs/dbraw/zinc/13/59/01/491135901.db2.gz MUKSJVPIPXAIRB-UHFFFAOYSA-N 1 3 222.332 1.776 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCOC1 ZINC000133302558 358750801 /nfs/dbraw/zinc/75/08/01/358750801.db2.gz FELMBQAYNXJPKN-NWDGAFQWSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000134352355 358788002 /nfs/dbraw/zinc/78/80/02/358788002.db2.gz IMPKYDGEUWTFCP-YIYPIFLZSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000135337617 358832682 /nfs/dbraw/zinc/83/26/82/358832682.db2.gz PUXUXUZWSPHCIN-ZOBORPQBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1C[C@H]1C ZINC000321915860 259481505 /nfs/dbraw/zinc/48/15/05/259481505.db2.gz QKOULFNNTBUUHT-GRYCIOLGSA-N 1 3 214.353 1.199 20 0 BDADHO CCCCOCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403467 358967767 /nfs/dbraw/zinc/96/77/67/358967767.db2.gz CZZPYHAMGQHVQE-VXGBXAGGSA-N 1 3 214.353 1.663 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000069859065 359034607 /nfs/dbraw/zinc/03/46/07/359034607.db2.gz KIZBMCGXARNUJA-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)O[C@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423362883 192731558 /nfs/dbraw/zinc/73/15/58/192731558.db2.gz ILNAFWKYGVYRBV-DCAQKATOSA-N 1 3 214.353 1.515 20 0 BDADHO CC(C)=CCC[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431176 192766924 /nfs/dbraw/zinc/76/69/24/192766924.db2.gz LLKZHZZXJMDXPQ-WUHRBBMRSA-N 1 3 208.349 1.929 20 0 BDADHO CC(C)(C[NH2+]C1CSC1)CN1CCCC1 ZINC000308923688 491140310 /nfs/dbraw/zinc/14/03/10/491140310.db2.gz CTNJMFPTASEOCB-UHFFFAOYSA-N 1 3 228.405 1.813 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000580434597 359545952 /nfs/dbraw/zinc/54/59/52/359545952.db2.gz BWSVEDVLSFJGMX-GRYCIOLGSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000580434597 359545954 /nfs/dbraw/zinc/54/59/54/359545954.db2.gz BWSVEDVLSFJGMX-GRYCIOLGSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000580434597 359545958 /nfs/dbraw/zinc/54/59/58/359545958.db2.gz BWSVEDVLSFJGMX-GRYCIOLGSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[C@@H](O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000450861097 202291788 /nfs/dbraw/zinc/29/17/88/202291788.db2.gz XVEWITVWLAMLRA-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000450861097 202291793 /nfs/dbraw/zinc/29/17/93/202291793.db2.gz XVEWITVWLAMLRA-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000450861097 202291797 /nfs/dbraw/zinc/29/17/97/202291797.db2.gz XVEWITVWLAMLRA-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@H](O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000450861098 202291241 /nfs/dbraw/zinc/29/12/41/202291241.db2.gz XVEWITVWLAMLRA-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000450861098 202291245 /nfs/dbraw/zinc/29/12/45/202291245.db2.gz XVEWITVWLAMLRA-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000450861098 202291248 /nfs/dbraw/zinc/29/12/48/202291248.db2.gz XVEWITVWLAMLRA-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000089140799 359992824 /nfs/dbraw/zinc/99/28/24/359992824.db2.gz UFVNGOHDBHLISQ-OLZOCXBDSA-N 1 3 236.363 1.380 20 0 BDADHO CCCCCN(CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000089427952 360019747 /nfs/dbraw/zinc/01/97/47/360019747.db2.gz QJJAGRFXZOJCSL-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCCCCN(CCO)CC[C@@H]1CCC[N@H+]1C ZINC000089427952 360019751 /nfs/dbraw/zinc/01/97/51/360019751.db2.gz QJJAGRFXZOJCSL-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO Cc1cccc(C[NH2+]CC2(N)CCOCC2)c1 ZINC000629387263 361039099 /nfs/dbraw/zinc/03/90/99/361039099.db2.gz GKCHALWRFBYLDW-UHFFFAOYSA-N 1 3 234.343 1.593 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000629418385 361063255 /nfs/dbraw/zinc/06/32/55/361063255.db2.gz XNZFGHAYUURGIG-RFGFWPKPSA-N 1 3 240.391 1.920 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424222488 200891827 /nfs/dbraw/zinc/89/18/27/200891827.db2.gz JCWDUQKSKKHVDR-GFCCVEGCSA-N 1 3 235.331 1.520 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOC1CCOCC1 ZINC000629513054 361107804 /nfs/dbraw/zinc/10/78/04/361107804.db2.gz DSEYOZJQFKWGCX-ZDUSSCGKSA-N 1 3 244.379 1.145 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000629510947 361110474 /nfs/dbraw/zinc/11/04/74/361110474.db2.gz YNMDZZZTYLGKDK-SDDRHHMPSA-N 1 3 214.353 1.519 20 0 BDADHO CCC[C@H](CN[C@H](C)C[C@@H](C)[NH3+])OCC ZINC000629515386 361112355 /nfs/dbraw/zinc/11/23/55/361112355.db2.gz QXLLCWNUXCUWPN-IJLUTSLNSA-N 1 3 216.369 1.907 20 0 BDADHO CC[NH2+]CC1CCN(Cc2cccnc2N)CC1 ZINC000629514922 361113008 /nfs/dbraw/zinc/11/30/08/361113008.db2.gz VXKIPRYJRMSHDW-UHFFFAOYSA-N 1 3 248.374 1.485 20 0 BDADHO C[C@@H](CCCCO)[NH2+][C@@H]1CCNC12CCC2 ZINC000629517783 361114140 /nfs/dbraw/zinc/11/41/40/361114140.db2.gz YURMOBUHBFSWMD-NWDGAFQWSA-N 1 3 226.364 1.412 20 0 BDADHO CCO[C@H](C[N@@H+]1C[C@H](CN)C[C@@H]1C)C1CC1 ZINC000629516727 361115396 /nfs/dbraw/zinc/11/53/96/361115396.db2.gz OHXPUOZJFRUZRW-GMXVVIOVSA-N 1 3 226.364 1.471 20 0 BDADHO CCO[C@H](C[N@H+]1C[C@H](CN)C[C@@H]1C)C1CC1 ZINC000629516727 361115397 /nfs/dbraw/zinc/11/53/97/361115397.db2.gz OHXPUOZJFRUZRW-GMXVVIOVSA-N 1 3 226.364 1.471 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccoc1 ZINC000629528592 361136753 /nfs/dbraw/zinc/13/67/53/361136753.db2.gz DKOJYJBMNPFXTH-JTQLQIEISA-N 1 3 212.293 1.166 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cccc(F)c1 ZINC000629528987 361138067 /nfs/dbraw/zinc/13/80/67/361138067.db2.gz ONAJHCSMSCHARS-LLVKDONJSA-N 1 3 240.322 1.712 20 0 BDADHO CCSCCN1CC[C@@H](C[NH2+]C)C1 ZINC000158573196 361203940 /nfs/dbraw/zinc/20/39/40/361203940.db2.gz XBASXAHPQIWQKD-JTQLQIEISA-N 1 3 202.367 1.281 20 0 BDADHO CCSCC[N@H+](C)C1CCNCC1 ZINC000158564489 361203986 /nfs/dbraw/zinc/20/39/86/361203986.db2.gz LCNDXJQOCSWQAM-UHFFFAOYSA-N 1 3 202.367 1.423 20 0 BDADHO CCSCC[N@@H+](C)C1CCNCC1 ZINC000158564489 361203990 /nfs/dbraw/zinc/20/39/90/361203990.db2.gz LCNDXJQOCSWQAM-UHFFFAOYSA-N 1 3 202.367 1.423 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044545 370677403 /nfs/dbraw/zinc/67/74/03/370677403.db2.gz KAEXDAKXVBWLPA-NPBHJFFNSA-N 1 3 226.364 1.374 20 0 BDADHO Cc1noc(C)c1CCNC[C@@]1(C)CC[NH2+]C1 ZINC000579353618 366767928 /nfs/dbraw/zinc/76/79/28/366767928.db2.gz GCMGXFRWCMGCEP-CYBMUJFWSA-N 1 3 237.347 1.423 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCSCC1 ZINC000629543876 361412671 /nfs/dbraw/zinc/41/26/71/361412671.db2.gz FHZQJXIXBLXNIG-JBLDHEPKSA-N 1 3 228.405 1.858 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@H](C)[C@@H](CN)C1)C1CC1 ZINC000629540889 361415295 /nfs/dbraw/zinc/41/52/95/361415295.db2.gz YFQZLUSFPQCJNE-FPMFFAJLSA-N 1 3 240.391 1.718 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@H](C)[C@@H](CN)C1)C1CC1 ZINC000629540889 361415296 /nfs/dbraw/zinc/41/52/96/361415296.db2.gz YFQZLUSFPQCJNE-FPMFFAJLSA-N 1 3 240.391 1.718 20 0 BDADHO COCCC[C@H](C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534869 361408670 /nfs/dbraw/zinc/40/86/70/361408670.db2.gz BDQZPHTUYOJENX-WOPDTQHZSA-N 1 3 214.353 1.532 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc[nH]c1=O ZINC000629544702 361423111 /nfs/dbraw/zinc/42/31/11/361423111.db2.gz KGZBJRRWZNXICD-CMPLNLGQSA-N 1 3 235.331 1.394 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc[nH]c1=O ZINC000629544711 361423265 /nfs/dbraw/zinc/42/32/65/361423265.db2.gz KGZBJRRWZNXICD-ZYHUDNBSSA-N 1 3 235.331 1.394 20 0 BDADHO CN(CCN[C@H]1CCCCC[C@H]1[NH3+])CC(F)F ZINC000629556410 361450513 /nfs/dbraw/zinc/45/05/13/361450513.db2.gz PBMSGHQDXZATIX-MNOVXSKESA-N 1 3 249.349 1.433 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CO[C@H](C2CC2)C1 ZINC000629545047 361424293 /nfs/dbraw/zinc/42/42/93/361424293.db2.gz AMENRGXJWPAFKD-ZZVYKPCYSA-N 1 3 238.375 1.532 20 0 BDADHO CCO[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000629547692 361431547 /nfs/dbraw/zinc/43/15/47/361431547.db2.gz LMEIIBVEJNHICC-CHWSQXEVSA-N 1 3 240.391 1.718 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000629547692 361431552 /nfs/dbraw/zinc/43/15/52/361431552.db2.gz LMEIIBVEJNHICC-CHWSQXEVSA-N 1 3 240.391 1.718 20 0 BDADHO CCO[C@@H]1CN(CC2CC(C)(C)C2)C[C@H]1C[NH3+] ZINC000629547692 361431557 /nfs/dbraw/zinc/43/15/57/361431557.db2.gz LMEIIBVEJNHICC-CHWSQXEVSA-N 1 3 240.391 1.718 20 0 BDADHO CN1CCC[C@H]1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000629548113 361432809 /nfs/dbraw/zinc/43/28/09/361432809.db2.gz CXBHBOLGZQBFBY-XQQFMLRXSA-N 1 3 225.380 1.330 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000629555010 361436295 /nfs/dbraw/zinc/43/62/95/361436295.db2.gz PXRYQQCFCFMZGX-NDBYEHHHSA-N 1 3 226.364 1.519 20 0 BDADHO FCCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000629553190 361437421 /nfs/dbraw/zinc/43/74/21/361437421.db2.gz NLKILTPBWONLSC-IJLUTSLNSA-N 1 3 214.328 1.856 20 0 BDADHO O[C@@H](CNCCC1(F)CCC1)C[NH+]1CCCC1 ZINC000629581377 361471457 /nfs/dbraw/zinc/47/14/57/361471457.db2.gz YQBHGHQBLINTCC-LBPRGKRZSA-N 1 3 244.354 1.315 20 0 BDADHO Cn1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000629647231 361536274 /nfs/dbraw/zinc/53/62/74/361536274.db2.gz NONKBFWHJWHQJY-IHRRRGAJSA-N 1 3 233.359 1.584 20 0 BDADHO COC1(CNC[C@H]([NH3+])C2CC2)CCCC1 ZINC000629648096 361538931 /nfs/dbraw/zinc/53/89/31/361538931.db2.gz ODKUCWWEPPRZSK-NSHDSACASA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H](C[NH3+])CNCC1=Cc2ccccc2OC1 ZINC000629648104 361539117 /nfs/dbraw/zinc/53/91/17/361539117.db2.gz OJEMDLCFOHLZJI-NSHDSACASA-N 1 3 232.327 1.647 20 0 BDADHO Cn1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000629649659 361546712 /nfs/dbraw/zinc/54/67/12/361546712.db2.gz YUGHTAHTZVGCDB-NEPJUHHUSA-N 1 3 207.321 1.385 20 0 BDADHO NC1(C[NH2+]CC2=CCCOC2)CCCC1 ZINC000629650391 361548443 /nfs/dbraw/zinc/54/84/43/361548443.db2.gz TZISJIWWVZAYEH-UHFFFAOYSA-N 1 3 210.321 1.194 20 0 BDADHO C[C@H](CNCC1([NH3+])CCOCC1)c1ccccc1 ZINC000629652986 361551180 /nfs/dbraw/zinc/55/11/80/361551180.db2.gz CYPOZABUBODHKM-CYBMUJFWSA-N 1 3 248.370 1.888 20 0 BDADHO CC[N@H+](C[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000435626580 201279357 /nfs/dbraw/zinc/27/93/57/201279357.db2.gz OXKBLVGRDNFVGX-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000435626580 201279360 /nfs/dbraw/zinc/27/93/60/201279360.db2.gz OXKBLVGRDNFVGX-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO [NH3+]C1CCC(N[C@H]2CCn3ccnc32)CC1 ZINC000329310508 181342860 /nfs/dbraw/zinc/34/28/60/181342860.db2.gz ZLLVEQLCWFFTHJ-ILDUYXDCSA-N 1 3 220.320 1.187 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN)C[C@H]1C ZINC000437805156 201375463 /nfs/dbraw/zinc/37/54/63/201375463.db2.gz WPMVPJFGQRFIOX-IJLUTSLNSA-N 1 3 242.363 1.293 20 0 BDADHO CC[C@](C)(N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607634 364333073 /nfs/dbraw/zinc/33/30/73/364333073.db2.gz LMNGGYSBRLPSAS-ZDUSSCGKSA-N 1 3 245.330 1.310 20 0 BDADHO [NH3+]CC1CCN(CCC(F)(F)F)CC1 ZINC000060048081 181364852 /nfs/dbraw/zinc/36/48/52/181364852.db2.gz WEXNUMMSIPWAEW-UHFFFAOYSA-N 1 3 210.243 1.610 20 0 BDADHO C[C@@H](CCCCO)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996356 364666751 /nfs/dbraw/zinc/66/67/51/364666751.db2.gz ABZANKVCYRDBBM-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO N[C@H](CC1CCCCC1)C(=O)NCCCC[NH3+] ZINC000302455507 181377503 /nfs/dbraw/zinc/37/75/03/181377503.db2.gz WELIPHIZTRPXNY-GFCCVEGCSA-N 1 3 241.379 1.139 20 0 BDADHO [NH3+]CCCN1CCCN(Cc2ccccc2)CC1 ZINC000037038091 181381562 /nfs/dbraw/zinc/38/15/62/181381562.db2.gz KMAZINUGKUWEEW-UHFFFAOYSA-N 1 3 247.386 1.543 20 0 BDADHO CC(C)(CC[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000574692836 365122671 /nfs/dbraw/zinc/12/26/71/365122671.db2.gz BMYBJOHSGUOIKC-UHFFFAOYSA-N 1 3 247.342 1.147 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000574822632 365153758 /nfs/dbraw/zinc/15/37/58/365153758.db2.gz MOKKYJXCCJBTQT-JSGCOSHPSA-N 1 3 233.359 1.792 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+](C)CCCN(C)CCN(C)C ZINC000574845645 365158157 /nfs/dbraw/zinc/15/81/57/365158157.db2.gz HXXFXQRORCVPFG-KGLIPLIRSA-N 1 3 241.423 1.458 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+](C)CCCN(C)CCN(C)C ZINC000574845645 365158164 /nfs/dbraw/zinc/15/81/64/365158164.db2.gz HXXFXQRORCVPFG-KGLIPLIRSA-N 1 3 241.423 1.458 20 0 BDADHO C[NH+](C)C[C@@H]1CCN([C@H]2C=CCCC2)C1 ZINC000172198231 365300268 /nfs/dbraw/zinc/30/02/68/365300268.db2.gz MAVGQAZEPRSWMW-STQMWFEESA-N 1 3 208.349 1.979 20 0 BDADHO CCn1ccnc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000579567782 366872526 /nfs/dbraw/zinc/87/25/26/366872526.db2.gz FZPJOYJSSKCYGE-LBPRGKRZSA-N 1 3 236.363 1.382 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@]1(C)CCCNC1 ZINC000575850667 365383200 /nfs/dbraw/zinc/38/32/00/365383200.db2.gz NBZWLELWPLDBJG-VXGBXAGGSA-N 1 3 214.353 1.248 20 0 BDADHO CCCC[NH+]1CCC(NCC2(O)CCC2)CC1 ZINC000580947421 367213511 /nfs/dbraw/zinc/21/35/11/367213511.db2.gz CKYKQURYCRQWEE-UHFFFAOYSA-N 1 3 240.391 1.756 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000581125273 367270474 /nfs/dbraw/zinc/27/04/74/367270474.db2.gz FHVHUXHKTLHIKD-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000581125273 367270480 /nfs/dbraw/zinc/27/04/80/367270480.db2.gz FHVHUXHKTLHIKD-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CC[C@@H]1CC[NH2+]C1 ZINC000380582975 367247071 /nfs/dbraw/zinc/24/70/71/367247071.db2.gz YFPRKHLIUSXLMD-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO CC1CC[NH+](C[C@H](O)CNCC2(C)CC2)CC1 ZINC000581345912 367362950 /nfs/dbraw/zinc/36/29/50/367362950.db2.gz OUJSLWSIMUCMBC-CYBMUJFWSA-N 1 3 240.391 1.469 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCC1 ZINC000381292587 367376075 /nfs/dbraw/zinc/37/60/75/367376075.db2.gz DUPSALBPMCIRMT-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000581418798 367460569 /nfs/dbraw/zinc/46/05/69/367460569.db2.gz ZTLRDAWRPHTSSN-VHSXEESVSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000581418797 367460576 /nfs/dbraw/zinc/46/05/76/367460576.db2.gz ZTLRDAWRPHTSSN-UWVGGRQHSA-N 1 3 247.342 1.254 20 0 BDADHO CC[C@H](COC)NCCC[NH2+]C1CC1 ZINC000382547906 367536225 /nfs/dbraw/zinc/53/62/25/367536225.db2.gz ATWRJOCMDBPDBO-SNVBAGLBSA-N 1 3 200.326 1.143 20 0 BDADHO CC[C@H](COC)[NH2+]CCCNC1CC1 ZINC000382547906 367536230 /nfs/dbraw/zinc/53/62/30/367536230.db2.gz ATWRJOCMDBPDBO-SNVBAGLBSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)CCN1CCC[NH3+] ZINC000382659669 367552314 /nfs/dbraw/zinc/55/23/14/367552314.db2.gz FEVWLZFFFQMOGT-CQSZACIVSA-N 1 3 247.386 1.542 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC(C(C)C)CC1 ZINC000581493700 367523494 /nfs/dbraw/zinc/52/34/94/367523494.db2.gz FHXQCKTVFZSALB-CYBMUJFWSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC000581493700 367523499 /nfs/dbraw/zinc/52/34/99/367523499.db2.gz FHXQCKTVFZSALB-CYBMUJFWSA-N 1 3 228.380 1.325 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000384035296 367670315 /nfs/dbraw/zinc/67/03/15/367670315.db2.gz DLGWAMYGPYAUSP-SDDRHHMPSA-N 1 3 228.405 1.847 20 0 BDADHO C[C@@H](NCCN1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386046897 367903928 /nfs/dbraw/zinc/90/39/28/367903928.db2.gz UNXRGQFXXIXMHC-ZIAGYGMSSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@H](NC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386091896 367910808 /nfs/dbraw/zinc/91/08/08/367910808.db2.gz IGVNRCQBDQLONM-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](NCCN1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000386046896 367903258 /nfs/dbraw/zinc/90/32/58/367903258.db2.gz UNXRGQFXXIXMHC-UONOGXRCSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)N(C)C ZINC000386574144 367993430 /nfs/dbraw/zinc/99/34/30/367993430.db2.gz MPWSUOVKIHZFRU-GRYCIOLGSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@H](NCCCCCO)[C@@H]1CCCC[NH2+]1 ZINC000386580823 367997100 /nfs/dbraw/zinc/99/71/00/367997100.db2.gz OSOPVGPUDPUDOY-RYUDHWBXSA-N 1 3 214.353 1.269 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402107 368879738 /nfs/dbraw/zinc/87/97/38/368879738.db2.gz UHNURHIVYYERQM-YNEHKIRRSA-N 1 3 225.380 1.330 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCC(F)(F)F)C1 ZINC000086404102 368880300 /nfs/dbraw/zinc/88/03/00/368880300.db2.gz IGXXCVZVMMIRID-HTQZYQBOSA-N 1 3 210.243 1.798 20 0 BDADHO C[N@@H+]1CCCC[C@H](CNCC2=CCCOC2)C1 ZINC000623655647 368991478 /nfs/dbraw/zinc/99/14/78/368991478.db2.gz BBHLJHBIVXEUAQ-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO C[N@H+]1CCCC[C@H](CNCC2=CCCOC2)C1 ZINC000623655647 368991481 /nfs/dbraw/zinc/99/14/81/368991481.db2.gz BBHLJHBIVXEUAQ-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO CN1CCCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000623655647 368991485 /nfs/dbraw/zinc/99/14/85/368991485.db2.gz BBHLJHBIVXEUAQ-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO C[C@@H]1CN(CCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631836568 369077508 /nfs/dbraw/zinc/07/75/08/369077508.db2.gz BRDXYKONKARCCD-UKRRQHHQSA-N 1 3 248.370 1.730 20 0 BDADHO CC(C)CCOCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841831 369358521 /nfs/dbraw/zinc/35/85/21/369358521.db2.gz QPKXXJWCSCLMEJ-CHWSQXEVSA-N 1 3 228.380 1.576 20 0 BDADHO Cc1noc(CCCN[C@@](C)(C[NH3+])C2CC2)n1 ZINC000567897506 326278747 /nfs/dbraw/zinc/27/87/47/326278747.db2.gz YOIWELDOVCJCHW-LBPRGKRZSA-N 1 3 238.335 1.028 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](CNCc2cscn2)CC1 ZINC000253133820 370149621 /nfs/dbraw/zinc/14/96/21/370149621.db2.gz QIIRWVLAUVSQMC-XYPYZODXSA-N 1 3 239.388 1.998 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1CO ZINC000621372526 370311320 /nfs/dbraw/zinc/31/13/20/370311320.db2.gz XBEQLIWEWXGXTF-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1CO ZINC000621372526 370311324 /nfs/dbraw/zinc/31/13/24/370311324.db2.gz XBEQLIWEWXGXTF-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO C[NH+]1CCC(CNCc2ccc(CO)o2)CC1 ZINC000077897972 370496189 /nfs/dbraw/zinc/49/61/89/370496189.db2.gz QMKJIEMJOHACTJ-UHFFFAOYSA-N 1 3 238.331 1.203 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000568415242 326356089 /nfs/dbraw/zinc/35/60/89/326356089.db2.gz MACQJSVTUHBRJM-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO CCn1nccc1CCN[C@@](C)(C[NH3+])C1CC1 ZINC000621775051 370521756 /nfs/dbraw/zinc/52/17/56/370521756.db2.gz DZTHIYRDMJJNIS-ZDUSSCGKSA-N 1 3 236.363 1.163 20 0 BDADHO N[C@@]12CCC[C@H]1C[N@H+](CCCc1ccncc1)C2 ZINC000621784319 370535428 /nfs/dbraw/zinc/53/54/28/370535428.db2.gz NBSKITPRTZEXAD-LSDHHAIUSA-N 1 3 245.370 1.827 20 0 BDADHO N[C@@]12CCC[C@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC000621784319 370535429 /nfs/dbraw/zinc/53/54/29/370535429.db2.gz NBSKITPRTZEXAD-LSDHHAIUSA-N 1 3 245.370 1.827 20 0 BDADHO CCSCC[N@H+](C1CC1)C1CCNCC1 ZINC000390757078 371232062 /nfs/dbraw/zinc/23/20/62/371232062.db2.gz INPZMJUHMQWGTH-UHFFFAOYSA-N 1 3 228.405 1.956 20 0 BDADHO CCSCC[N@@H+](C1CC1)C1CCNCC1 ZINC000390757078 371232067 /nfs/dbraw/zinc/23/20/67/371232067.db2.gz INPZMJUHMQWGTH-UHFFFAOYSA-N 1 3 228.405 1.956 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1CC1 ZINC000624121568 371323612 /nfs/dbraw/zinc/32/36/12/371323612.db2.gz YCDAOMTVHCDZAJ-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](NC[C@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121568 371323619 /nfs/dbraw/zinc/32/36/19/371323619.db2.gz YCDAOMTVHCDZAJ-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121568 371323621 /nfs/dbraw/zinc/32/36/21/371323621.db2.gz YCDAOMTVHCDZAJ-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000624124141 371324357 /nfs/dbraw/zinc/32/43/57/371324357.db2.gz YHYMGVRBLXJBCG-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000624124141 371324362 /nfs/dbraw/zinc/32/43/62/371324362.db2.gz YHYMGVRBLXJBCG-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000624218950 371407479 /nfs/dbraw/zinc/40/74/79/371407479.db2.gz GYNABKIVJPITQA-BJHJDKERSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000631828451 372609265 /nfs/dbraw/zinc/60/92/65/372609265.db2.gz PGVHPCOJPVSGSX-NDBYEHHHSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000631828451 372609270 /nfs/dbraw/zinc/60/92/70/372609270.db2.gz PGVHPCOJPVSGSX-NDBYEHHHSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000631829656 372611529 /nfs/dbraw/zinc/61/15/29/372611529.db2.gz WZYAIWYTKQNGMI-RFGFWPKPSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000631829656 372611535 /nfs/dbraw/zinc/61/15/35/372611535.db2.gz WZYAIWYTKQNGMI-RFGFWPKPSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1CN(Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000631838919 372634245 /nfs/dbraw/zinc/63/42/45/372634245.db2.gz XAGHLCJSYKFIPX-ZYHUDNBSSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000631838919 372634250 /nfs/dbraw/zinc/63/42/50/372634250.db2.gz XAGHLCJSYKFIPX-ZYHUDNBSSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000631838919 372634254 /nfs/dbraw/zinc/63/42/54/372634254.db2.gz XAGHLCJSYKFIPX-ZYHUDNBSSA-N 1 3 219.332 1.295 20 0 BDADHO CC[C@H](C)CN1CCC([NH2+]CCO)CC1 ZINC000631861797 372663523 /nfs/dbraw/zinc/66/35/23/372663523.db2.gz APJYXLUTJJHRBU-NSHDSACASA-N 1 3 214.353 1.079 20 0 BDADHO Nc1cccc(CN2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889691 372685249 /nfs/dbraw/zinc/68/52/49/372685249.db2.gz LOZCJTGBPAKXPT-DZGCQCFKSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@@H+]2CCC[C@H]3CNCC[C@H]32)c1 ZINC000631889691 372685252 /nfs/dbraw/zinc/68/52/52/372685252.db2.gz LOZCJTGBPAKXPT-DZGCQCFKSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@H+]2CCC[C@H]3CNCC[C@H]32)c1 ZINC000631889691 372685253 /nfs/dbraw/zinc/68/52/53/372685253.db2.gz LOZCJTGBPAKXPT-DZGCQCFKSA-N 1 3 245.370 1.843 20 0 BDADHO CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069016639 373105988 /nfs/dbraw/zinc/10/59/88/373105988.db2.gz MTIIVKRCWLHPJS-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO Cc1c[nH]nc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459777141 206016358 /nfs/dbraw/zinc/01/63/58/206016358.db2.gz KCNHDIMEWWGJIU-GFCCVEGCSA-N 1 3 236.363 1.540 20 0 BDADHO Cc1c[nH]nc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459777141 206016362 /nfs/dbraw/zinc/01/63/62/206016362.db2.gz KCNHDIMEWWGJIU-GFCCVEGCSA-N 1 3 236.363 1.540 20 0 BDADHO C[C@@H]1COC[C@@H](C)N1CC1CC[NH2+]CC1 ZINC000178974779 134313964 /nfs/dbraw/zinc/31/39/64/134313964.db2.gz IEBGETRPCQVODL-GHMZBOCLSA-N 1 3 212.337 1.095 20 0 BDADHO CCCN(C)CC(=O)NC[C@H](C)[NH+](CC)CC ZINC000352380134 169074280 /nfs/dbraw/zinc/07/42/80/169074280.db2.gz GWOKFDXFJZTBFM-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(CCn1cccn1)C1CC[NH2+]CC1 ZINC000049326171 169170189 /nfs/dbraw/zinc/17/01/89/169170189.db2.gz FBLAVVBGIOUBGO-UHFFFAOYSA-N 1 3 236.363 1.347 20 0 BDADHO CCC[N@H+](CCn1cccn1)C1CCNCC1 ZINC000049326171 169170190 /nfs/dbraw/zinc/17/01/90/169170190.db2.gz FBLAVVBGIOUBGO-UHFFFAOYSA-N 1 3 236.363 1.347 20 0 BDADHO CCC[N@@H+](CCn1cccn1)C1CCNCC1 ZINC000049326171 169170192 /nfs/dbraw/zinc/17/01/92/169170192.db2.gz FBLAVVBGIOUBGO-UHFFFAOYSA-N 1 3 236.363 1.347 20 0 BDADHO c1c[nH]c([C@@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000336495842 183326642 /nfs/dbraw/zinc/32/66/42/183326642.db2.gz NXTMTGNPGYLGME-QWHCGFSZSA-N 1 3 248.374 1.589 20 0 BDADHO CCCN1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000042302494 169202533 /nfs/dbraw/zinc/20/25/33/169202533.db2.gz CCRMAGBBZXDZQZ-UHFFFAOYSA-N 1 3 227.396 1.402 20 0 BDADHO CCCN1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000020073770 169203752 /nfs/dbraw/zinc/20/37/52/169203752.db2.gz RBTISLLEJXSJLP-ZDUSSCGKSA-N 1 3 227.396 1.387 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001332 169390693 /nfs/dbraw/zinc/39/06/93/169390693.db2.gz JTMOWPVPXGWPLH-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CN(Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000036771403 383909783 /nfs/dbraw/zinc/90/97/83/383909783.db2.gz KQZVJTSAKLXTHW-UHFFFAOYSA-N 1 3 219.332 1.513 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000643545436 384008930 /nfs/dbraw/zinc/00/89/30/384008930.db2.gz UCILWVBNVLATRL-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545782 384013800 /nfs/dbraw/zinc/01/38/00/384013800.db2.gz CGPCTHDVJFXODK-TUAOUCFPSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545782 384013811 /nfs/dbraw/zinc/01/38/11/384013811.db2.gz CGPCTHDVJFXODK-TUAOUCFPSA-N 1 3 226.364 1.674 20 0 BDADHO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000235953425 384076098 /nfs/dbraw/zinc/07/60/98/384076098.db2.gz NBDANIIJACYZSB-QWHCGFSZSA-N 1 3 236.363 1.299 20 0 BDADHO Cc1cnn(CCN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000235953425 384076102 /nfs/dbraw/zinc/07/61/02/384076102.db2.gz NBDANIIJACYZSB-QWHCGFSZSA-N 1 3 236.363 1.299 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305287233 384165057 /nfs/dbraw/zinc/16/50/57/384165057.db2.gz DBNPCGQTBCZYEG-REWJHTLYSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305287233 384165063 /nfs/dbraw/zinc/16/50/63/384165063.db2.gz DBNPCGQTBCZYEG-REWJHTLYSA-N 1 3 240.391 1.610 20 0 BDADHO COC[C@@H](N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236420 384234594 /nfs/dbraw/zinc/23/45/94/384234594.db2.gz IWHMCUAWWNBIRM-NWDGAFQWSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000397236420 384234601 /nfs/dbraw/zinc/23/46/01/384234601.db2.gz IWHMCUAWWNBIRM-NWDGAFQWSA-N 1 3 212.337 1.143 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3cccc(O)c3)C[C@H]21 ZINC000228535591 384274189 /nfs/dbraw/zinc/27/41/89/384274189.db2.gz NYESHHZTXMSUHL-BPLDGKMQSA-N 1 3 246.354 1.951 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)CO1 ZINC000401973427 384360316 /nfs/dbraw/zinc/36/03/16/384360316.db2.gz PUGDZXPGJXFDDG-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CSCCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000172629499 384391956 /nfs/dbraw/zinc/39/19/56/384391956.db2.gz NKENRNHYCOCTDA-NSHDSACASA-N 1 3 216.394 1.623 20 0 BDADHO CSCCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000172629499 384391963 /nfs/dbraw/zinc/39/19/63/384391963.db2.gz NKENRNHYCOCTDA-NSHDSACASA-N 1 3 216.394 1.623 20 0 BDADHO Cn1c(Cl)cnc1CNCCCC[NH+](C)C ZINC000045698406 384403134 /nfs/dbraw/zinc/40/31/34/384403134.db2.gz YTIDBUQLDIXIMA-UHFFFAOYSA-N 1 3 244.770 1.505 20 0 BDADHO COCCN(C[C@@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000647513823 384426345 /nfs/dbraw/zinc/42/63/45/384426345.db2.gz HRUIEVFYUIXYBO-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1OCC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000096033411 384423913 /nfs/dbraw/zinc/42/39/13/384423913.db2.gz QXZOUSARSUBJQP-GHMZBOCLSA-N 1 3 214.353 1.341 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000096033402 384424198 /nfs/dbraw/zinc/42/41/98/384424198.db2.gz SXUCXWPDDGONGB-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H](CN(C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309880530 384462126 /nfs/dbraw/zinc/46/21/26/384462126.db2.gz VFEZPABTLHQQFR-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN(C)C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309880530 384462133 /nfs/dbraw/zinc/46/21/33/384462133.db2.gz VFEZPABTLHQQFR-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO CCN(CC)CC(=O)NCC[N@H+](CC)C(C)C ZINC000102479701 384474403 /nfs/dbraw/zinc/47/44/03/384474403.db2.gz WZNGPDMZUCPEFS-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCN(CC)CC(=O)NCC[N@@H+](CC)C(C)C ZINC000102479701 384474416 /nfs/dbraw/zinc/47/44/16/384474416.db2.gz WZNGPDMZUCPEFS-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO COCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785188 384506562 /nfs/dbraw/zinc/50/65/62/384506562.db2.gz ISHDKPSJLSTFEK-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150785188 384506567 /nfs/dbraw/zinc/50/65/67/384506567.db2.gz ISHDKPSJLSTFEK-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150785188 384506570 /nfs/dbraw/zinc/50/65/70/384506570.db2.gz ISHDKPSJLSTFEK-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)CN(C)C ZINC000309731390 384569538 /nfs/dbraw/zinc/56/95/38/384569538.db2.gz FGXMIQTZSVRTDE-NEPJUHHUSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)OC ZINC000356330622 384626756 /nfs/dbraw/zinc/62/67/56/384626756.db2.gz HFNBAKSHSHIHFA-YNEHKIRRSA-N 1 3 228.380 1.909 20 0 BDADHO C1=CCN(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000355569183 384600012 /nfs/dbraw/zinc/60/00/12/384600012.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 1 3 249.402 1.465 20 0 BDADHO C1=CCN(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000355569183 384600020 /nfs/dbraw/zinc/60/00/20/384600020.db2.gz QISSATSEUZNSFC-CABCVRRESA-N 1 3 249.402 1.465 20 0 BDADHO C(COCC1CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000232459347 259655246 /nfs/dbraw/zinc/65/52/46/259655246.db2.gz WLLNJHXYWRRCJU-GFCCVEGCSA-N 1 3 212.337 1.145 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CO[C@H](C)C2)CC1 ZINC000335426464 384724117 /nfs/dbraw/zinc/72/41/17/384724117.db2.gz WGXTVWAALREZMZ-DGCLKSJQSA-N 1 3 226.364 1.626 20 0 BDADHO CN1CC=C(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000309678204 384725117 /nfs/dbraw/zinc/72/51/17/384725117.db2.gz YPJUAKSTNSXSAV-CYBMUJFWSA-N 1 3 224.348 1.265 20 0 BDADHO C[C@@H](NC(=O)[C@@H](C)N1CCCCCC1)[C@H](C)[NH3+] ZINC000449604759 384693376 /nfs/dbraw/zinc/69/33/76/384693376.db2.gz UPEILVXZBCFEJI-QJPTWQEYSA-N 1 3 241.379 1.103 20 0 BDADHO Nc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000647546616 384732581 /nfs/dbraw/zinc/73/25/81/384732581.db2.gz RZGOXJCRAFEFEO-NWDGAFQWSA-N 1 3 234.347 1.101 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](NC[C@@H](N)c2ccccc2)C1 ZINC000647546571 384734562 /nfs/dbraw/zinc/73/45/62/384734562.db2.gz PWPMNEZCKJYVLB-IACUBPJLSA-N 1 3 233.359 1.274 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000647548679 384740557 /nfs/dbraw/zinc/74/05/57/384740557.db2.gz OONKHJBEBNUUBW-RYMFRWLXSA-N 1 3 238.375 1.532 20 0 BDADHO CCC(CC)(CCO)CN[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647550202 384745959 /nfs/dbraw/zinc/74/59/59/384745959.db2.gz FMCYYLXIQNKVGC-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO CC[N@H+](C)CCNC(=O)C[C@H](N)c1ccccc1 ZINC000054133204 384820723 /nfs/dbraw/zinc/82/07/23/384820723.db2.gz XEIUFJSTRUHBKB-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO CC[N@@H+](C)CCNC(=O)C[C@H](N)c1ccccc1 ZINC000054133204 384820729 /nfs/dbraw/zinc/82/07/29/384820729.db2.gz XEIUFJSTRUHBKB-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CN)O1 ZINC000398163899 384822537 /nfs/dbraw/zinc/82/25/37/384822537.db2.gz LTAYRMMKXPPLGP-KXNHARMFSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1ccsc1CN1CCC(O)(C[NH3+])CC1 ZINC000335107280 384823057 /nfs/dbraw/zinc/82/30/57/384823057.db2.gz BZHZVIRPEIQAIE-UHFFFAOYSA-N 1 3 240.372 1.342 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCSC1)CN(C)C ZINC000308588396 384826788 /nfs/dbraw/zinc/82/67/88/384826788.db2.gz UATZGVUMTMKDEV-GHMZBOCLSA-N 1 3 216.394 1.669 20 0 BDADHO CC[C@H](C)[C@@H](C)NC[C@@]1(COC)CCC[NH2+]1 ZINC000318834362 384790587 /nfs/dbraw/zinc/79/05/87/384790587.db2.gz AMCDKZHONGXYCH-YNEHKIRRSA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOC(F)(F)F ZINC000398258113 384870387 /nfs/dbraw/zinc/87/03/87/384870387.db2.gz RNGIGEMYBRRPAL-JGVFFNPUSA-N 1 3 226.242 1.240 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000398258113 384870395 /nfs/dbraw/zinc/87/03/95/384870395.db2.gz RNGIGEMYBRRPAL-JGVFFNPUSA-N 1 3 226.242 1.240 20 0 BDADHO C[C@@H]1C[C@H](NCCc2nccs2)CC[N@@H+]1C ZINC000127840063 384953881 /nfs/dbraw/zinc/95/38/81/384953881.db2.gz IPLFDPLRWVTZTH-GHMZBOCLSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@@H]1C[C@H](NCCc2nccs2)CC[N@H+]1C ZINC000127840063 384953888 /nfs/dbraw/zinc/95/38/88/384953888.db2.gz IPLFDPLRWVTZTH-GHMZBOCLSA-N 1 3 239.388 1.758 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000306016298 384918951 /nfs/dbraw/zinc/91/89/51/384918951.db2.gz RYPDKCRVIWFVOZ-MGPQQGTHSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000310238942 384924746 /nfs/dbraw/zinc/92/47/46/384924746.db2.gz LFJCDPTYELTWFZ-HZSPNIEDSA-N 1 3 242.407 1.977 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1cccc(F)c1 ZINC000259026921 384959562 /nfs/dbraw/zinc/95/95/62/384959562.db2.gz OOSWRNXEAWWVHD-STQMWFEESA-N 1 3 222.307 1.838 20 0 BDADHO C[C@H](O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000257771798 384928972 /nfs/dbraw/zinc/92/89/72/384928972.db2.gz NUDXLNCMMHYRMG-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000257771798 384928981 /nfs/dbraw/zinc/92/89/81/384928981.db2.gz NUDXLNCMMHYRMG-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000257771798 384928988 /nfs/dbraw/zinc/92/89/88/384928988.db2.gz NUDXLNCMMHYRMG-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000518360346 384978041 /nfs/dbraw/zinc/97/80/41/384978041.db2.gz VOTNWWAODCMYJH-KBPBESRZSA-N 1 3 240.391 1.910 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOCC1CCC1 ZINC000518360346 384978045 /nfs/dbraw/zinc/97/80/45/384978045.db2.gz VOTNWWAODCMYJH-KBPBESRZSA-N 1 3 240.391 1.910 20 0 BDADHO Cc1ccc2c(c1)[C@H](NCCC[NH3+])CC2 ZINC000129362483 384997322 /nfs/dbraw/zinc/99/73/22/384997322.db2.gz BQNUTGBRWQQFPI-CYBMUJFWSA-N 1 3 204.317 1.921 20 0 BDADHO CCSCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000300859098 385002464 /nfs/dbraw/zinc/00/24/64/385002464.db2.gz CFKRPGOMTFYIQR-QWRGUYRKSA-N 1 3 216.394 1.847 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403999 385012810 /nfs/dbraw/zinc/01/28/10/385012810.db2.gz LJEVZWOJDREIBG-GVXVVHGQSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403999 385012814 /nfs/dbraw/zinc/01/28/14/385012814.db2.gz LJEVZWOJDREIBG-GVXVVHGQSA-N 1 3 241.379 1.103 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CCCCO1 ZINC000404879254 385120420 /nfs/dbraw/zinc/12/04/20/385120420.db2.gz YVXSEIUFXBWDFK-AXFHLTTASA-N 1 3 212.337 1.271 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000404879254 385120424 /nfs/dbraw/zinc/12/04/24/385120424.db2.gz YVXSEIUFXBWDFK-AXFHLTTASA-N 1 3 212.337 1.271 20 0 BDADHO COC[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960334 385133813 /nfs/dbraw/zinc/13/38/13/385133813.db2.gz SBDSQIRIQGBUIO-GFCCVEGCSA-N 1 3 249.358 1.675 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647002205 385137499 /nfs/dbraw/zinc/13/74/99/385137499.db2.gz XKXBTNLRYRXIMH-MDZLAQPJSA-N 1 3 241.379 1.090 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCCCC[C@H]1N ZINC000422715476 385195389 /nfs/dbraw/zinc/19/53/89/385195389.db2.gz MHVAQNMIELSCDK-MJBXVCDLSA-N 1 3 241.423 1.966 20 0 BDADHO OC1(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000342810206 385168116 /nfs/dbraw/zinc/16/81/16/385168116.db2.gz PGYOZXJGQZOJOC-OLZOCXBDSA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000342810206 385168122 /nfs/dbraw/zinc/16/81/22/385168122.db2.gz PGYOZXJGQZOJOC-OLZOCXBDSA-N 1 3 238.375 1.508 20 0 BDADHO CCCCOCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404916708 385174675 /nfs/dbraw/zinc/17/46/75/385174675.db2.gz WOTPBDGGABEBAW-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO CCCCOCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000404916708 385174681 /nfs/dbraw/zinc/17/46/81/385174681.db2.gz WOTPBDGGABEBAW-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000157576037 385219939 /nfs/dbraw/zinc/21/99/39/385219939.db2.gz HZRIENURLNBITH-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000157576037 385219946 /nfs/dbraw/zinc/21/99/46/385219946.db2.gz HZRIENURLNBITH-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000157576037 385219950 /nfs/dbraw/zinc/21/99/50/385219950.db2.gz HZRIENURLNBITH-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO C[NH+](C)CCCCN[C@H]1CCn2ccnc21 ZINC000294155695 385226591 /nfs/dbraw/zinc/22/65/91/385226591.db2.gz QKSHXZILPLHEGY-NSHDSACASA-N 1 3 222.336 1.259 20 0 BDADHO c1ccc2c(c1)C[NH+](C1CCNCC1)C2 ZINC000050911370 385312109 /nfs/dbraw/zinc/31/21/09/385312109.db2.gz OPDUSQYTDNRVRP-UHFFFAOYSA-N 1 3 202.301 1.754 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000308962109 385313421 /nfs/dbraw/zinc/31/34/21/385313421.db2.gz ZZQAFPWNJXECMF-WOPDTQHZSA-N 1 3 214.353 1.519 20 0 BDADHO CN(C)Cc1cccc(C(=O)NCC(C)(C)[NH3+])c1 ZINC000237038007 385259345 /nfs/dbraw/zinc/25/93/45/385259345.db2.gz CQDIYRGFGRXCJB-UHFFFAOYSA-N 1 3 249.358 1.215 20 0 BDADHO Cc1ccncc1CNCC1=CC[N@H+](C)CC1 ZINC000280364634 385299973 /nfs/dbraw/zinc/29/99/73/385299973.db2.gz SHICONIDAAEVGA-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO Cc1ccncc1CNCC1=CC[N@@H+](C)CC1 ZINC000280364634 385299977 /nfs/dbraw/zinc/29/99/77/385299977.db2.gz SHICONIDAAEVGA-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO Cc1nccn1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158055724 385332841 /nfs/dbraw/zinc/33/28/41/385332841.db2.gz VMIRXLGNDBKONX-ZIAGYGMSSA-N 1 3 248.374 1.408 20 0 BDADHO Cc1nccn1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158055724 385332848 /nfs/dbraw/zinc/33/28/48/385332848.db2.gz VMIRXLGNDBKONX-ZIAGYGMSSA-N 1 3 248.374 1.408 20 0 BDADHO C[C@H](CN)C[NH2+]C[C@H](C)c1ccccc1 ZINC000308991705 385336562 /nfs/dbraw/zinc/33/65/62/385336562.db2.gz OCZJKDAUXUDCDH-NEPJUHHUSA-N 1 3 206.333 1.975 20 0 BDADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccnn1C ZINC000192250930 385350014 /nfs/dbraw/zinc/35/00/14/385350014.db2.gz POSMPPBRXHBKCS-NSHDSACASA-N 1 3 236.363 1.413 20 0 BDADHO COCC1(C)CCN(CCC[NH3+])CC1 ZINC000409426952 385326687 /nfs/dbraw/zinc/32/66/87/385326687.db2.gz DHRQXWKTCKEJMU-UHFFFAOYSA-N 1 3 200.326 1.084 20 0 BDADHO C[C@@H]1CCCCN1CCNC(=O)CC(C)(C)[NH3+] ZINC000178702823 385412633 /nfs/dbraw/zinc/41/26/33/385412633.db2.gz NERKBKURFCOPLY-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CN(C)CCSCCC[NH+]1CCCC1 ZINC000195037246 385457725 /nfs/dbraw/zinc/45/77/25/385457725.db2.gz FLYMXMZCBPVXOW-UHFFFAOYSA-N 1 3 216.394 1.767 20 0 BDADHO CCOCCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405318843 385483301 /nfs/dbraw/zinc/48/33/01/385483301.db2.gz QHUCKOPRTRJETA-UWVGGRQHSA-N 1 3 200.326 1.128 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000414849233 385624747 /nfs/dbraw/zinc/62/47/47/385624747.db2.gz XUFOTTJCUFPJII-LOWDOPEQSA-N 1 3 240.391 1.635 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000414849233 385624752 /nfs/dbraw/zinc/62/47/52/385624752.db2.gz XUFOTTJCUFPJII-LOWDOPEQSA-N 1 3 240.391 1.635 20 0 BDADHO Cc1ncc(CNCC2(C)CC[NH+](C)CC2)cn1 ZINC000355725066 385633884 /nfs/dbraw/zinc/63/38/84/385633884.db2.gz HPUIMSYDBOJBNF-UHFFFAOYSA-N 1 3 248.374 1.607 20 0 BDADHO C[C@H](C[NH2+]C[C@@H]1CCCN1)CC1CCOCC1 ZINC000414850470 385638099 /nfs/dbraw/zinc/63/80/99/385638099.db2.gz SHRLEYMFSTUVTP-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1cc(CNCC[C@H]2CCC[NH2+]C2)nn1C ZINC000414850966 385647939 /nfs/dbraw/zinc/64/79/39/385647939.db2.gz ZWMADUDWZTVISM-GFCCVEGCSA-N 1 3 236.363 1.208 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000309588968 385717692 /nfs/dbraw/zinc/71/76/92/385717692.db2.gz UACMRELOSALTCO-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CCC1 ZINC000309586674 385711063 /nfs/dbraw/zinc/71/10/63/385711063.db2.gz RYZJFKFGZFAIHL-LLVKDONJSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCCNC1 ZINC000414857833 385732003 /nfs/dbraw/zinc/73/20/03/385732003.db2.gz QHMDMVWCYQYPRN-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@H](COC)NC[C@H](C)C[NH+](C)C ZINC000336699653 385759377 /nfs/dbraw/zinc/75/93/77/385759377.db2.gz WUAALTMPLMDUKC-WDEREUQCSA-N 1 3 202.342 1.199 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000335492788 385723839 /nfs/dbraw/zinc/72/38/39/385723839.db2.gz BWMXRARJKNNZLW-DTWKUNHWSA-N 1 3 233.315 1.212 20 0 BDADHO COC[C@]1(CN[C@@H]2CCC[C@@H]2C)CCC[NH2+]1 ZINC000414945313 385799253 /nfs/dbraw/zinc/79/92/53/385799253.db2.gz PZQOJFXGGLCZMY-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO CCCC[C@H](COC)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947271 385802382 /nfs/dbraw/zinc/80/23/82/385802382.db2.gz KOHOEHRTUUUUGX-RWMBFGLXSA-N 1 3 228.380 1.922 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414947271 385802389 /nfs/dbraw/zinc/80/23/89/385802389.db2.gz KOHOEHRTUUUUGX-RWMBFGLXSA-N 1 3 228.380 1.922 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414949895 385814876 /nfs/dbraw/zinc/81/48/76/385814876.db2.gz NYUMJTYXCPLBNK-AXFHLTTASA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414949895 385814877 /nfs/dbraw/zinc/81/48/77/385814877.db2.gz NYUMJTYXCPLBNK-AXFHLTTASA-N 1 3 200.326 1.142 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]C[C@H](C)CN ZINC000414869219 385836162 /nfs/dbraw/zinc/83/61/62/385836162.db2.gz AIOCOPPCTLABLQ-MNOVXSKESA-N 1 3 202.342 1.232 20 0 BDADHO CC(C)n1ccc(C[C@@H](C)NC[C@@H](C)C[NH3+])n1 ZINC000414876551 385909304 /nfs/dbraw/zinc/90/93/04/385909304.db2.gz LNUPJGBKGLBTKW-NWDGAFQWSA-N 1 3 238.379 1.579 20 0 BDADHO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H](C)CN)n1 ZINC000414876551 385909308 /nfs/dbraw/zinc/90/93/08/385909308.db2.gz LNUPJGBKGLBTKW-NWDGAFQWSA-N 1 3 238.379 1.579 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](C)CC1CCOCC1 ZINC000414965023 385912097 /nfs/dbraw/zinc/91/20/97/385912097.db2.gz VNTYQBNPYSTYGR-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](C)CC1CCOCC1 ZINC000414965024 385912355 /nfs/dbraw/zinc/91/23/55/385912355.db2.gz VNTYQBNPYSTYGR-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H](CC[NH3+])NCc1ccc(-n2cccn2)cc1 ZINC000414876666 385913465 /nfs/dbraw/zinc/91/34/65/385913465.db2.gz DTCLYQILRGFBRK-LBPRGKRZSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@H](C[NH3+])CNCc1cnc(-c2ccccc2)[nH]1 ZINC000414877009 385917785 /nfs/dbraw/zinc/91/77/85/385917785.db2.gz MHYYKXITZFEZSY-LLVKDONJSA-N 1 3 244.342 1.761 20 0 BDADHO COC(=O)C(C)(C)CCNCCC[NH+](C)C ZINC000336725849 385862906 /nfs/dbraw/zinc/86/29/06/385862906.db2.gz BXBUCFIUSQMOLC-UHFFFAOYSA-N 1 3 230.352 1.117 20 0 BDADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262607256 385865400 /nfs/dbraw/zinc/86/54/00/385865400.db2.gz TXSJXOPDTZCSMI-GVXVVHGQSA-N 1 3 249.358 1.128 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228556356 385878575 /nfs/dbraw/zinc/87/85/75/385878575.db2.gz LBUAYSPCHPAQSE-SDDRHHMPSA-N 1 3 228.405 1.847 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000338352366 385976281 /nfs/dbraw/zinc/97/62/81/385976281.db2.gz UPBDLCVXRFOMKR-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CCC[C@]1(C)CO ZINC000338352366 385976289 /nfs/dbraw/zinc/97/62/89/385976289.db2.gz UPBDLCVXRFOMKR-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000338352364 385976678 /nfs/dbraw/zinc/97/66/78/385976678.db2.gz UPBDLCVXRFOMKR-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CCC[C@@]1(C)CO ZINC000338352364 385976680 /nfs/dbraw/zinc/97/66/80/385976680.db2.gz UPBDLCVXRFOMKR-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H]1CCNC[C@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335022363 385982761 /nfs/dbraw/zinc/98/27/61/385982761.db2.gz DHQVVKHQHURMHJ-BXUZGUMPSA-N 1 3 237.391 1.201 20 0 BDADHO CC(C)[C@@H]([NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000295202340 385990358 /nfs/dbraw/zinc/99/03/58/385990358.db2.gz PFQDQGSXCWZQES-STQMWFEESA-N 1 3 249.358 1.176 20 0 BDADHO Cn1nccc1CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311017625 385939337 /nfs/dbraw/zinc/93/93/37/385939337.db2.gz QJYQGTMNZGFLLP-JSGCOSHPSA-N 1 3 248.374 1.023 20 0 BDADHO Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000311017625 385939341 /nfs/dbraw/zinc/93/93/41/385939341.db2.gz QJYQGTMNZGFLLP-JSGCOSHPSA-N 1 3 248.374 1.023 20 0 BDADHO Cn1nccc1CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000311017625 385939347 /nfs/dbraw/zinc/93/93/47/385939347.db2.gz QJYQGTMNZGFLLP-JSGCOSHPSA-N 1 3 248.374 1.023 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)[C@H](C)[C@@H]1C ZINC000338284551 385948923 /nfs/dbraw/zinc/94/89/23/385948923.db2.gz QYLHTCMTYPCQLH-KGLIPLIRSA-N 1 3 241.423 1.743 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C1 ZINC000304644947 385955866 /nfs/dbraw/zinc/95/58/66/385955866.db2.gz SVIIFRUMPSWDNO-LPWJVIDDSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H]([NH3+])CCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000335059887 385960418 /nfs/dbraw/zinc/96/04/18/385960418.db2.gz FZFAOMYVHNQYEG-JQWIXIFHSA-N 1 3 247.342 1.030 20 0 BDADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000335012181 385968218 /nfs/dbraw/zinc/96/82/18/385968218.db2.gz WYJPZTDUSNHNNM-RYUDHWBXSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@H]1CN(C)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012181 385968222 /nfs/dbraw/zinc/96/82/22/385968222.db2.gz WYJPZTDUSNHNNM-RYUDHWBXSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414881597 385997730 /nfs/dbraw/zinc/99/77/30/385997730.db2.gz SKKWDXSQDYECMD-QWRGUYRKSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCNC1)CC1CCOCC1 ZINC000414882394 386011704 /nfs/dbraw/zinc/01/17/04/386011704.db2.gz MHZCKWUBPSYYSR-WCQYABFASA-N 1 3 226.364 1.391 20 0 BDADHO CC[NH+](CC)CCCN[C@]1(C)CCO[C@H]1C ZINC000336751877 386013168 /nfs/dbraw/zinc/01/31/68/386013168.db2.gz DBAUHVQSBYTUNB-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000336751877 386013172 /nfs/dbraw/zinc/01/31/72/386013172.db2.gz DBAUHVQSBYTUNB-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CO[C@@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000425424218 386044780 /nfs/dbraw/zinc/04/47/80/386044780.db2.gz WADZOEZLBPWHNN-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000425424218 386044783 /nfs/dbraw/zinc/04/47/83/386044783.db2.gz WADZOEZLBPWHNN-OCCSQVGLSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000129106319 386050948 /nfs/dbraw/zinc/05/09/48/386050948.db2.gz ZYRFIKIQNONVFH-KGLIPLIRSA-N 1 3 239.407 1.593 20 0 BDADHO CC[C@@H]([NH3+])CNC1CCN(c2ccccc2)CC1 ZINC000414980157 386053156 /nfs/dbraw/zinc/05/31/56/386053156.db2.gz PFJCIBIUFSZROT-CYBMUJFWSA-N 1 3 247.386 1.982 20 0 BDADHO CO[C@@H](C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000223985354 386116569 /nfs/dbraw/zinc/11/65/69/386116569.db2.gz LHOHVQBSTRCHHD-LBPRGKRZSA-N 1 3 249.358 1.675 20 0 BDADHO COc1ccccc1/C=C\CNC[C@@H](C)C[NH3+] ZINC000414885500 386060086 /nfs/dbraw/zinc/06/00/86/386060086.db2.gz XAKSFIKUFWLKTI-HWPRWLFBSA-N 1 3 234.343 1.893 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000365401953 386080695 /nfs/dbraw/zinc/08/06/95/386080695.db2.gz HHOANDJQKXQWGF-CYBMUJFWSA-N 1 3 236.363 1.299 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000365401953 386080700 /nfs/dbraw/zinc/08/07/00/386080700.db2.gz HHOANDJQKXQWGF-CYBMUJFWSA-N 1 3 236.363 1.299 20 0 BDADHO CC[C@H]([NH3+])CNCCCc1ccc(C)nc1 ZINC000414992818 386159783 /nfs/dbraw/zinc/15/97/83/386159783.db2.gz SBDIFYFXWVKWPY-ZDUSSCGKSA-N 1 3 221.348 1.650 20 0 BDADHO CC(C)C[C@H]([NH3+])CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000414692225 386182378 /nfs/dbraw/zinc/18/23/78/386182378.db2.gz KLDMQOQYBSFLEH-GXTWGEPZSA-N 1 3 239.407 1.528 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@H+](CC)C(C)C ZINC000353581733 386188923 /nfs/dbraw/zinc/18/89/23/386188923.db2.gz NMUTWKAARANRJZ-ZDUSSCGKSA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000353581733 386188932 /nfs/dbraw/zinc/18/89/32/386188932.db2.gz NMUTWKAARANRJZ-ZDUSSCGKSA-N 1 3 243.395 1.350 20 0 BDADHO [NH3+][C@H](CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000414890732 386128402 /nfs/dbraw/zinc/12/84/02/386128402.db2.gz MZTXKRQNDJWUAF-LOWDOPEQSA-N 1 3 236.359 1.271 20 0 BDADHO [NH3+][C@H](CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000414890739 386128449 /nfs/dbraw/zinc/12/84/49/386128449.db2.gz MZTXKRQNDJWUAF-UMSGYPCISA-N 1 3 236.359 1.271 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@]1(C)CCCO1 ZINC000340530971 386142732 /nfs/dbraw/zinc/14/27/32/386142732.db2.gz INNJTWRUIOLIJQ-GXTWGEPZSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@@H]1C[C@H](CN2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC000414700963 386200893 /nfs/dbraw/zinc/20/08/93/386200893.db2.gz KJOHRLCGKPNLHE-YRGRVCCFSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](CN)C1 ZINC000347038901 386227024 /nfs/dbraw/zinc/22/70/24/386227024.db2.gz IYWPGSUJJUDAEK-JSGCOSHPSA-N 1 3 240.391 1.720 20 0 BDADHO C[C@@H](CC1CCOCC1)C[N@H+]1CC[C@@H](CN)C1 ZINC000347038901 386227029 /nfs/dbraw/zinc/22/70/29/386227029.db2.gz IYWPGSUJJUDAEK-JSGCOSHPSA-N 1 3 240.391 1.720 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414714090 386237969 /nfs/dbraw/zinc/23/79/69/386237969.db2.gz WZBYINXMVXJPGA-YPMHNXCESA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414714090 386237971 /nfs/dbraw/zinc/23/79/71/386237971.db2.gz WZBYINXMVXJPGA-YPMHNXCESA-N 1 3 242.363 1.245 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000125289435 386239873 /nfs/dbraw/zinc/23/98/73/386239873.db2.gz GVAXNYAVRNFRIV-RYUDHWBXSA-N 1 3 214.353 1.484 20 0 BDADHO COC(=O)C(C)(C)CCNCC[C@H]1CCC[NH2+]1 ZINC000414898998 386240063 /nfs/dbraw/zinc/24/00/63/386240063.db2.gz BQOWIMIFRTWHOS-LLVKDONJSA-N 1 3 242.363 1.307 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](CCCCO)C1CC1 ZINC000414694317 386191497 /nfs/dbraw/zinc/19/14/97/386191497.db2.gz NDUGAQLLHYTALQ-LBPRGKRZSA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](CCCCO)C1CC1 ZINC000414694317 386191501 /nfs/dbraw/zinc/19/15/01/386191501.db2.gz NDUGAQLLHYTALQ-LBPRGKRZSA-N 1 3 228.380 1.597 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]([NH3+])CC(C)C)C[C@H]1C ZINC000414733952 386298403 /nfs/dbraw/zinc/29/84/03/386298403.db2.gz FJQZGHOELFOTIR-HZSPNIEDSA-N 1 3 241.423 1.774 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](CCO)C1CCC1 ZINC000414741657 386324963 /nfs/dbraw/zinc/32/49/63/386324963.db2.gz FKRBPAXSAOKSDX-LLVKDONJSA-N 1 3 214.353 1.207 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](CCO)C1CCC1 ZINC000414741657 386324967 /nfs/dbraw/zinc/32/49/67/386324967.db2.gz FKRBPAXSAOKSDX-LLVKDONJSA-N 1 3 214.353 1.207 20 0 BDADHO CCOC[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000414902423 386320796 /nfs/dbraw/zinc/32/07/96/386320796.db2.gz HZQHAJBXHPKJBZ-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CCCN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000647884435 386264608 /nfs/dbraw/zinc/26/46/08/386264608.db2.gz PQXVNODSLGJZMR-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H](O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336653353 386268558 /nfs/dbraw/zinc/26/85/58/386268558.db2.gz YESKFSHIFRBIGX-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336653353 386268561 /nfs/dbraw/zinc/26/85/61/386268561.db2.gz YESKFSHIFRBIGX-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336653355 386269621 /nfs/dbraw/zinc/26/96/21/386269621.db2.gz YESKFSHIFRBIGX-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336653355 386269624 /nfs/dbraw/zinc/26/96/24/386269624.db2.gz YESKFSHIFRBIGX-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO c1ccc2c(c1)OCC[C@H]2C[NH2+]C1CCNCC1 ZINC000335276769 386341609 /nfs/dbraw/zinc/34/16/09/386341609.db2.gz IAXXGKCEZJHLDP-LBPRGKRZSA-N 1 3 246.354 1.894 20 0 BDADHO c1ccc2c(c1)OCC[C@H]2CNC1CC[NH2+]CC1 ZINC000335276769 386341615 /nfs/dbraw/zinc/34/16/15/386341615.db2.gz IAXXGKCEZJHLDP-LBPRGKRZSA-N 1 3 246.354 1.894 20 0 BDADHO COC1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335267474 386348779 /nfs/dbraw/zinc/34/87/79/386348779.db2.gz HXCSUDFZHXJPMF-OTTFEQOBSA-N 1 3 226.364 1.676 20 0 BDADHO Cc1ncc2c(n1)CCN(CC1CC[NH2+]CC1)C2 ZINC000648402284 386350740 /nfs/dbraw/zinc/35/07/40/386350740.db2.gz PMRHIUFXTXBSAB-UHFFFAOYSA-N 1 3 246.358 1.143 20 0 BDADHO CC1(C)[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H]2CCO[C@H]21 ZINC000414904920 386358089 /nfs/dbraw/zinc/35/80/89/386358089.db2.gz MVEUWZUUEZPYNJ-YVECIDJPSA-N 1 3 238.375 1.532 20 0 BDADHO Cc1c[nH]nc1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000289593714 386331735 /nfs/dbraw/zinc/33/17/35/386331735.db2.gz UHVWECVUEMSDMD-SNVBAGLBSA-N 1 3 247.346 1.649 20 0 BDADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCN1CCNCC1 ZINC000399160961 386428126 /nfs/dbraw/zinc/42/81/26/386428126.db2.gz KTZIUJBFMMYFIE-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@@H]1C[C@@H](C)C[N@H+]1CCN1CCNCC1 ZINC000399160961 386428130 /nfs/dbraw/zinc/42/81/30/386428130.db2.gz KTZIUJBFMMYFIE-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CC[C@H]2CCCCO2)C1 ZINC000347472619 386432512 /nfs/dbraw/zinc/43/25/12/386432512.db2.gz COGDBQHJPJCKGM-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1c(CN2CCC([C@H](C)[NH3+])CC2)cnn1C ZINC000093651368 386433359 /nfs/dbraw/zinc/43/33/59/386433359.db2.gz KXROHTIINLSYIQ-JTQLQIEISA-N 1 3 236.363 1.288 20 0 BDADHO CC[C@]1(C)CC[N@H+](CCN2CCNCC2)C1 ZINC000399275588 386475909 /nfs/dbraw/zinc/47/59/09/386475909.db2.gz CWJJKXAHKAURTG-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO CC[C@]1(C)CC[N@@H+](CCN2CCNCC2)C1 ZINC000399275588 386475912 /nfs/dbraw/zinc/47/59/12/386475912.db2.gz CWJJKXAHKAURTG-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]C1CCNCC1 ZINC000414778414 386488579 /nfs/dbraw/zinc/48/85/79/386488579.db2.gz IBXUEFLJIQHXRX-GFCCVEGCSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@@H](CC(C)C)NC1CC[NH2+]CC1 ZINC000414778414 386488583 /nfs/dbraw/zinc/48/85/83/386488583.db2.gz IBXUEFLJIQHXRX-GFCCVEGCSA-N 1 3 214.353 1.389 20 0 BDADHO CCN(CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CO ZINC000339634798 386502547 /nfs/dbraw/zinc/50/25/47/386502547.db2.gz GSSSLGQOLUIGIW-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(CC[C@H]1CCC[N@H+]1C)[C@@H](C)CO ZINC000339634798 386502552 /nfs/dbraw/zinc/50/25/52/386502552.db2.gz GSSSLGQOLUIGIW-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO Cc1ncsc1C[NH2+][C@H](CN)C(C)(C)C ZINC000415049916 386505693 /nfs/dbraw/zinc/50/56/93/386505693.db2.gz BWFUNJMLYZPVMM-SNVBAGLBSA-N 1 3 227.377 1.915 20 0 BDADHO Cc1ccc(CCCN(C)C2CC([NH3+])C2)cn1 ZINC000414783629 386507994 /nfs/dbraw/zinc/50/79/94/386507994.db2.gz ZPCMPNRGCAFPTC-UHFFFAOYSA-N 1 3 233.359 1.744 20 0 BDADHO C[C@@H](CCc1cccc(F)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021567 386511098 /nfs/dbraw/zinc/51/10/98/386511098.db2.gz BXQLEHGGUBEJGR-BSLXNSKLSA-N 1 3 248.345 1.954 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447200 386515741 /nfs/dbraw/zinc/51/57/41/386515741.db2.gz ABZQENZPWNNTMM-GHMZBOCLSA-N 1 3 222.336 1.277 20 0 BDADHO CCC[C@@H](C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415033295 386521567 /nfs/dbraw/zinc/52/15/67/386521567.db2.gz GWHGVGYBUAHUDQ-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1CCC[C@H](CNC[C@H]2C[NH2+]CCCO2)C1 ZINC000415036431 386524304 /nfs/dbraw/zinc/52/43/04/386524304.db2.gz JVRYZQGCTSUVOO-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO C(CC1CCCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000415037364 386525066 /nfs/dbraw/zinc/52/50/66/386525066.db2.gz KZOCHMXVFUTGCT-CQSZACIVSA-N 1 3 240.391 1.925 20 0 BDADHO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000415041998 386526677 /nfs/dbraw/zinc/52/66/77/386526677.db2.gz QJCICMZAPHHGPS-SKDRFNHKSA-N 1 3 238.306 1.748 20 0 BDADHO CCN(CC[C@@H]1CC[NH2+]C1)Cc1ccccn1 ZINC000094918437 386462804 /nfs/dbraw/zinc/46/28/04/386462804.db2.gz YYEBZOCJHYUWSS-ZDUSSCGKSA-N 1 3 233.359 1.903 20 0 BDADHO CCN1CCCC[C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000415083286 386594460 /nfs/dbraw/zinc/59/44/60/386594460.db2.gz PQMJGMSTQHUKGS-KGLIPLIRSA-N 1 3 239.407 1.450 20 0 BDADHO C[C@H](C[NH3+])NCCSCc1ccccc1 ZINC000414922683 386597038 /nfs/dbraw/zinc/59/70/38/386597038.db2.gz DDPIPMIYDKSQPA-LLVKDONJSA-N 1 3 224.373 1.857 20 0 BDADHO C[C@H](CCO)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000332045852 386545256 /nfs/dbraw/zinc/54/52/56/386545256.db2.gz VDVCKBRDRMILMN-MXWKQRLJSA-N 1 3 200.326 1.007 20 0 BDADHO c1cnn(CCN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000063200223 386545643 /nfs/dbraw/zinc/54/56/43/386545643.db2.gz ZFAQOXHWDXWNKG-CQSZACIVSA-N 1 3 248.374 1.347 20 0 BDADHO [NH3+]C[C@H]1CCCN(CCc2cccnc2)C1 ZINC000063223655 386546910 /nfs/dbraw/zinc/54/69/10/386546910.db2.gz GUABTRQUMUCCHV-CYBMUJFWSA-N 1 3 219.332 1.295 20 0 BDADHO CN(C[C@@H](O)C[NH3+])CC1CCCCCC1 ZINC000415066449 386549390 /nfs/dbraw/zinc/54/93/90/386549390.db2.gz IQBHJFKERLWVQG-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+]CCCNC2CC2)CCO1 ZINC000415070806 386551176 /nfs/dbraw/zinc/55/11/76/386551176.db2.gz RFUZDIWDIZQTDR-ZIAGYGMSSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1CN(CCCCCOC)CC[C@H]1[NH3+] ZINC000647936816 386557815 /nfs/dbraw/zinc/55/78/15/386557815.db2.gz LUBLWSUXTWUTMC-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO CO[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000415073375 386559110 /nfs/dbraw/zinc/55/91/10/386559110.db2.gz AZQFVKZGOLJJHJ-NEPJUHHUSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@H]1CCCC[C@H]1NC1CC[NH2+]CC1 ZINC000415073375 386559114 /nfs/dbraw/zinc/55/91/14/386559114.db2.gz AZQFVKZGOLJJHJ-NEPJUHHUSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](CC1CCOCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000415074406 386567137 /nfs/dbraw/zinc/56/71/37/386567137.db2.gz PIWRXWLEOMGGAO-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCNC1 ZINC000415103712 386623209 /nfs/dbraw/zinc/62/32/09/386623209.db2.gz CWLSWCRAZPMCMP-QNWHQSFQSA-N 1 3 208.349 1.764 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000300859101 386627779 /nfs/dbraw/zinc/62/77/79/386627779.db2.gz CFKRPGOMTFYIQR-WDEREUQCSA-N 1 3 216.394 1.847 20 0 BDADHO C(N[C@H]1CCCC12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000335487425 386602780 /nfs/dbraw/zinc/60/27/80/386602780.db2.gz JWJMEFRIUYOTTE-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](C)Cn1cccn1 ZINC000414807248 386617333 /nfs/dbraw/zinc/61/73/33/386617333.db2.gz CKDNNJVDXLCMQZ-NWDGAFQWSA-N 1 3 224.352 1.379 20 0 BDADHO COC[C@@H](CC(C)C)NCC[C@H](C)[NH3+] ZINC000414819832 386659986 /nfs/dbraw/zinc/65/99/86/386659986.db2.gz IJYHRFRXRKQDKW-WDEREUQCSA-N 1 3 202.342 1.374 20 0 BDADHO CCCC[C@@H](CN)[NH2+]Cc1cccnc1 ZINC000414819696 386661428 /nfs/dbraw/zinc/66/14/28/386661428.db2.gz ZJMWLHJFVAURCW-LBPRGKRZSA-N 1 3 207.321 1.689 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414830844 386710929 /nfs/dbraw/zinc/71/09/29/386710929.db2.gz CMMQJBZXWRIVJE-QCNOEVLYSA-N 1 3 226.364 1.245 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414830844 386710934 /nfs/dbraw/zinc/71/09/34/386710934.db2.gz CMMQJBZXWRIVJE-QCNOEVLYSA-N 1 3 226.364 1.245 20 0 BDADHO N[C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828297 386696950 /nfs/dbraw/zinc/69/69/50/386696950.db2.gz IOPFKXQSKOJQIS-ZIAGYGMSSA-N 1 3 233.359 1.418 20 0 BDADHO C1CC1[C@@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000335483603 386712080 /nfs/dbraw/zinc/71/20/80/386712080.db2.gz ORXWETOVCJOJFX-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO CC[NH2+]CCNC[C@H]1CCO[C@@H](CC)C1 ZINC000414829234 386701290 /nfs/dbraw/zinc/70/12/90/386701290.db2.gz MABZYXKREJLOLF-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1C[C@H](NCCNc2ccccn2)CC[N@@H+]1C ZINC000268996051 386735285 /nfs/dbraw/zinc/73/52/85/386735285.db2.gz NRGJTDSLZHJIJB-CHWSQXEVSA-N 1 3 248.374 1.566 20 0 BDADHO C[C@@H]1C[C@H](NCCNc2ccccn2)CC[N@H+]1C ZINC000268996051 386735290 /nfs/dbraw/zinc/73/52/90/386735290.db2.gz NRGJTDSLZHJIJB-CHWSQXEVSA-N 1 3 248.374 1.566 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414832239 386715944 /nfs/dbraw/zinc/71/59/44/386715944.db2.gz FEMNKDLDPNNREA-LOWDOPEQSA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414832239 386715948 /nfs/dbraw/zinc/71/59/48/386715948.db2.gz FEMNKDLDPNNREA-LOWDOPEQSA-N 1 3 238.375 1.389 20 0 BDADHO N[C@@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834730 386724492 /nfs/dbraw/zinc/72/44/92/386724492.db2.gz QTECQCFNXBTEIV-OLZOCXBDSA-N 1 3 219.332 1.028 20 0 BDADHO CNC[C@@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000414835682 386728426 /nfs/dbraw/zinc/72/84/26/386728426.db2.gz HMNQCGQZAZGBBP-NXEZZACHSA-N 1 3 202.367 1.185 20 0 BDADHO CC(C)C[C@H](CN)[NH2+]Cc1cnc2cnccn12 ZINC000414839592 386745620 /nfs/dbraw/zinc/74/56/20/386745620.db2.gz LNYUZUHMDXZTRD-LLVKDONJSA-N 1 3 247.346 1.192 20 0 BDADHO CCC1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334845364 386891956 /nfs/dbraw/zinc/89/19/56/386891956.db2.gz GMQNFPRMZGEQSI-NGEZQELSSA-N 1 3 208.349 1.763 20 0 BDADHO CCOc1cc(C[NH2+][C@H](C)CN)ccc1OC ZINC000414939507 386860173 /nfs/dbraw/zinc/86/01/73/386860173.db2.gz YUAZBBWIDYUTHF-SNVBAGLBSA-N 1 3 238.331 1.531 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000331562371 386870442 /nfs/dbraw/zinc/87/04/42/386870442.db2.gz XJCVZIHIBJAPBU-SRVKXCTJSA-N 1 3 226.364 1.253 20 0 BDADHO CCN1CCCN(c2cc[nH+]cc2C)CC1 ZINC000334833736 386873322 /nfs/dbraw/zinc/87/33/22/386873322.db2.gz YYWTYXPZWMLYDY-UHFFFAOYSA-N 1 3 219.332 1.922 20 0 BDADHO COc1cccc2c1CC[C@H](N[C@@H](C)C[NH3+])C2 ZINC000414940127 386877454 /nfs/dbraw/zinc/87/74/54/386877454.db2.gz HBQHZKDMHZHJPU-JQWIXIFHSA-N 1 3 234.343 1.489 20 0 BDADHO COC[C@@]1(C[NH2+][C@H]2CCCSC2)CCCN1 ZINC000414942044 386895985 /nfs/dbraw/zinc/89/59/85/386895985.db2.gz JNMHMOGLXRPLCO-RYUDHWBXSA-N 1 3 244.404 1.240 20 0 BDADHO C[C@H](NC1CC[NH2+]CC1)[C@@H]1COc2ccccc21 ZINC000334848844 386897316 /nfs/dbraw/zinc/89/73/16/386897316.db2.gz LVDLNYHEIKJFPG-FZMZJTMJSA-N 1 3 246.354 1.893 20 0 BDADHO C[C@H]([NH2+]C1CCNCC1)[C@@H]1COc2ccccc21 ZINC000334848844 386897320 /nfs/dbraw/zinc/89/73/20/386897320.db2.gz LVDLNYHEIKJFPG-FZMZJTMJSA-N 1 3 246.354 1.893 20 0 BDADHO C[C@@]1(C[NH2+]C2CCSCC2)CCCNC1 ZINC000334873695 386934247 /nfs/dbraw/zinc/93/42/47/386934247.db2.gz IHHJWVLJODJBFH-GFCCVEGCSA-N 1 3 228.405 1.861 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000352902876 386956450 /nfs/dbraw/zinc/95/64/50/386956450.db2.gz SPFLNQHMZATZCE-BZPMIXESSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CC[C@H]2SC)C1 ZINC000425363732 386972911 /nfs/dbraw/zinc/97/29/11/386972911.db2.gz XTVCDTNMNPLTEN-GRYCIOLGSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CC[C@H]2SC)C1 ZINC000425363732 386972916 /nfs/dbraw/zinc/97/29/16/386972916.db2.gz XTVCDTNMNPLTEN-GRYCIOLGSA-N 1 3 228.405 1.812 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CC[C@H]2SC)C1 ZINC000425363732 386972920 /nfs/dbraw/zinc/97/29/20/386972920.db2.gz XTVCDTNMNPLTEN-GRYCIOLGSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CCCCN1 ZINC000332644896 386996674 /nfs/dbraw/zinc/99/66/74/386996674.db2.gz SJHJZITWOZNBSS-CYZMBNFOSA-N 1 3 248.374 1.387 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332055249 386950465 /nfs/dbraw/zinc/95/04/65/386950465.db2.gz XBJZCIJQECZXGN-SDDRHHMPSA-N 1 3 214.353 1.397 20 0 BDADHO CC(C)(CO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000168597203 387036428 /nfs/dbraw/zinc/03/64/28/387036428.db2.gz SCDDMVXOQUBKGQ-WDEREUQCSA-N 1 3 214.353 1.112 20 0 BDADHO CC(C)(CO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000168597117 387036572 /nfs/dbraw/zinc/03/65/72/387036572.db2.gz SCDDMVXOQUBKGQ-MNOVXSKESA-N 1 3 214.353 1.112 20 0 BDADHO CCC1CC([NH2+]CCOCCN(C)C)C1 ZINC000336764452 387048097 /nfs/dbraw/zinc/04/80/97/387048097.db2.gz PZHGDOZSMGLJJB-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](CC(N)=O)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000341966991 387009987 /nfs/dbraw/zinc/00/99/87/387009987.db2.gz JAQLVFSWCUMNIE-LLVKDONJSA-N 1 3 249.358 1.102 20 0 BDADHO C[C@H](CC(N)=O)NCc1cccc(C[NH+](C)C)c1 ZINC000341966991 387009993 /nfs/dbraw/zinc/00/99/93/387009993.db2.gz JAQLVFSWCUMNIE-LLVKDONJSA-N 1 3 249.358 1.102 20 0 BDADHO c1ccc(CCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088301001 387017942 /nfs/dbraw/zinc/01/79/42/387017942.db2.gz PBYNZHYSVIFBBA-KBPBESRZSA-N 1 3 216.328 1.380 20 0 BDADHO C[C@@H](N[C@H]1CCc2nc[nH]c2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227064 387022264 /nfs/dbraw/zinc/02/22/64/387022264.db2.gz BDAJQBUNTZFQHP-WOPDTQHZSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](N[C@H]1CCc2[nH]cnc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227064 387022268 /nfs/dbraw/zinc/02/22/68/387022268.db2.gz BDAJQBUNTZFQHP-WOPDTQHZSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@@H]1CCCCN1 ZINC000333227064 387022272 /nfs/dbraw/zinc/02/22/72/387022272.db2.gz BDAJQBUNTZFQHP-WOPDTQHZSA-N 1 3 248.374 1.387 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000216070521 387029493 /nfs/dbraw/zinc/02/94/93/387029493.db2.gz PZIYGENJNIOVTP-WDEREUQCSA-N 1 3 235.331 1.265 20 0 BDADHO Fc1ccc2c(c1)[C@H](N1C[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294110 387080314 /nfs/dbraw/zinc/08/03/14/387080314.db2.gz AYQVJTREQUWISS-SLEUVZQESA-N 1 3 246.329 1.964 20 0 BDADHO Cc1cc(N2C[C@H]3CCC[C@@H](C2)N3)cc[nH+]1 ZINC000334991274 387081065 /nfs/dbraw/zinc/08/10/65/387081065.db2.gz CQTYAATWSPESRI-TXEJJXNPSA-N 1 3 217.316 1.721 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000228294469 387085928 /nfs/dbraw/zinc/08/59/28/387085928.db2.gz SVQAUNBFXDIALG-XQQFMLRXSA-N 1 3 228.380 1.502 20 0 BDADHO CC[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000119428525 387132196 /nfs/dbraw/zinc/13/21/96/387132196.db2.gz WSQIXEOSQQLNLT-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000119428525 387132199 /nfs/dbraw/zinc/13/21/99/387132199.db2.gz WSQIXEOSQQLNLT-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN)[C@@H]1C ZINC000423306529 387141683 /nfs/dbraw/zinc/14/16/83/387141683.db2.gz LPUFMOJXCDJZNZ-USZNOCQGSA-N 1 3 242.363 1.149 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)C12CCCC2 ZINC000423310288 387147141 /nfs/dbraw/zinc/14/71/41/387147141.db2.gz RRVOFUKMQGVRFX-RWMBFGLXSA-N 1 3 240.391 1.909 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)C12CCC2 ZINC000423309220 387147168 /nfs/dbraw/zinc/14/71/68/387147168.db2.gz PWGYTUMMMXUOCA-QJPTWQEYSA-N 1 3 226.364 1.519 20 0 BDADHO C([NH2+][C@@H]1CCCC[C@@H]1C1CC1)C1CNC1 ZINC000423309113 387147199 /nfs/dbraw/zinc/14/71/99/387147199.db2.gz YZRAEVNYVOUWBO-CHWSQXEVSA-N 1 3 208.349 1.764 20 0 BDADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423311869 387148600 /nfs/dbraw/zinc/14/86/00/387148600.db2.gz UOBNRGRFGKRVSI-IJLUTSLNSA-N 1 3 228.380 1.763 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NC[C@@H]([NH3+])C2CC2)C1(C)C ZINC000423313316 387152541 /nfs/dbraw/zinc/15/25/41/387152541.db2.gz FLZCVFVXQQKQTM-FRRDWIJNSA-N 1 3 240.391 1.905 20 0 BDADHO CCOCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250382446 387156010 /nfs/dbraw/zinc/15/60/10/387156010.db2.gz IXRYQUSXQHHMJW-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CCC1(CC)[C@@H](N[C@H](C)C[NH3+])C[C@@H]1OC ZINC000423320484 387162791 /nfs/dbraw/zinc/16/27/91/387162791.db2.gz GQJAVDVKHNEHAQ-VWYCJHECSA-N 1 3 214.353 1.517 20 0 BDADHO CCN1C[C@H](C)[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423320056 387163108 /nfs/dbraw/zinc/16/31/08/387163108.db2.gz FAGOLIYDXYXDOG-MJBXVCDLSA-N 1 3 239.407 1.306 20 0 BDADHO CC(C)O[C@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423322066 387165215 /nfs/dbraw/zinc/16/52/15/387165215.db2.gz ILNAFWKYGVYRBV-VWYCJHECSA-N 1 3 214.353 1.515 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])C2CC2)C12CCC2 ZINC000423333083 387178247 /nfs/dbraw/zinc/17/82/47/387178247.db2.gz VJMKPCFTHSFYCA-YNEHKIRRSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1cccc(CO)c1 ZINC000423335387 387183271 /nfs/dbraw/zinc/18/32/71/387183271.db2.gz XGMNRZQAXXRCKR-HZMBPMFUSA-N 1 3 234.343 1.567 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CCc2cc(F)ccc21 ZINC000423303993 387138030 /nfs/dbraw/zinc/13/80/30/387138030.db2.gz XXOXUGNWNFFJJH-ZANVPECISA-N 1 3 222.307 1.997 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423305052 387139772 /nfs/dbraw/zinc/13/97/72/387139772.db2.gz KAJOYTAACUWRRW-UMSGYPCISA-N 1 3 238.375 1.519 20 0 BDADHO C[C@H](CCc1cccc(F)c1)NCC1C[NH2+]C1 ZINC000423305288 387140105 /nfs/dbraw/zinc/14/01/05/387140105.db2.gz QKNCBVWIQCMIDE-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO C[C@H](CCc1cccc(F)c1)[NH2+]CC1CNC1 ZINC000423305288 387140110 /nfs/dbraw/zinc/14/01/10/387140110.db2.gz QKNCBVWIQCMIDE-LLVKDONJSA-N 1 3 236.334 1.956 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@H](COC)C1CC1 ZINC000423304793 387140490 /nfs/dbraw/zinc/14/04/90/387140490.db2.gz ZLXFBICMUSDDFC-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)CO[C@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423360997 387212567 /nfs/dbraw/zinc/21/25/67/387212567.db2.gz GKGVJPKEKJRYKH-SRVKXCTJSA-N 1 3 228.380 1.763 20 0 BDADHO CO[C@@H]1[C@H](C)[C@@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364468 387214877 /nfs/dbraw/zinc/21/48/77/387214877.db2.gz OOTBVGFHSJWPNB-FDYHWXHSSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cn[nH]c1 ZINC000572001341 387218843 /nfs/dbraw/zinc/21/88/43/387218843.db2.gz MDXWXNRGQJAJAL-JTQLQIEISA-N 1 3 230.315 1.719 20 0 BDADHO CO[C@@H](C)[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423368577 387221542 /nfs/dbraw/zinc/22/15/42/387221542.db2.gz SBZATRJQROHLRZ-GARJFASQSA-N 1 3 200.326 1.142 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423369409 387223476 /nfs/dbraw/zinc/22/34/76/387223476.db2.gz BXZRWJJVZZYZOD-RQJABVFESA-N 1 3 240.391 1.922 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000300709486 387239229 /nfs/dbraw/zinc/23/92/29/387239229.db2.gz GWWFJJGUSHFLBX-MELADBBJSA-N 1 3 242.407 1.891 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423406234 387242694 /nfs/dbraw/zinc/24/26/94/387242694.db2.gz UMNAMUAZQCBSED-FQUUOJAGSA-N 1 3 240.391 1.779 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423406239 387243726 /nfs/dbraw/zinc/24/37/26/387243726.db2.gz UMNAMUAZQCBSED-RFGFWPKPSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@]1(CN[C@H](C)[C@H]2CC2(C)C)CCC[NH2+]1 ZINC000423414003 387245880 /nfs/dbraw/zinc/24/58/80/387245880.db2.gz LVEKMQZXEPERPQ-YRGRVCCFSA-N 1 3 240.391 1.779 20 0 BDADHO CCC1CC([NH2+]C[C@]2(COC)CCCN2)C1 ZINC000423411687 387245972 /nfs/dbraw/zinc/24/59/72/387245972.db2.gz GEXBTGLOLZBOND-BPCQOVAHSA-N 1 3 226.364 1.533 20 0 BDADHO CCC1CC([NH2+]C[C@@]2(COC)CCCN2)C1 ZINC000423411688 387246949 /nfs/dbraw/zinc/24/69/49/387246949.db2.gz GEXBTGLOLZBOND-WXRRBKDZSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cccc(CO)c1 ZINC000423409317 387247222 /nfs/dbraw/zinc/24/72/22/387247222.db2.gz YRJHVPXGCYJAJV-SLEUVZQESA-N 1 3 248.370 1.828 20 0 BDADHO C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000423416645 387249210 /nfs/dbraw/zinc/24/92/10/387249210.db2.gz DCNRXFVKTFAJFV-JHJVBQTASA-N 1 3 248.374 1.892 20 0 BDADHO CC1(C)CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423422700 387250718 /nfs/dbraw/zinc/25/07/18/387250718.db2.gz DGGFUCCNVDXYEC-NNYUYHANSA-N 1 3 208.349 1.763 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423374356 387254981 /nfs/dbraw/zinc/25/49/81/387254981.db2.gz IHTONSIYTFQQKK-ZRUFSTJUSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)O1 ZINC000423382200 387265702 /nfs/dbraw/zinc/26/57/02/387265702.db2.gz ODAITCZMSRPHLS-YBXAARCKSA-N 1 3 212.337 1.282 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)[C@H](C)O1 ZINC000423382200 387265708 /nfs/dbraw/zinc/26/57/08/387265708.db2.gz ODAITCZMSRPHLS-YBXAARCKSA-N 1 3 212.337 1.282 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000423382811 387265870 /nfs/dbraw/zinc/26/58/70/387265870.db2.gz PDTOFDBIQURVPR-WUHRBBMRSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@@H](Cc1ccoc1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423385380 387268240 /nfs/dbraw/zinc/26/82/40/387268240.db2.gz QWGOVWQWFPHOHE-MDZLAQPJSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H](Cc1ccoc1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000423385380 387268246 /nfs/dbraw/zinc/26/82/46/387268246.db2.gz QWGOVWQWFPHOHE-MDZLAQPJSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423386521 387271170 /nfs/dbraw/zinc/27/11/70/387271170.db2.gz HGQBVNMJPYGHEF-GRYCIOLGSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000423391834 387277259 /nfs/dbraw/zinc/27/72/59/387277259.db2.gz LDKVJQNAXFCYSV-TVQRCGJNSA-N 1 3 220.316 1.706 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](CC)[C@H]1CCOC1 ZINC000423393599 387278379 /nfs/dbraw/zinc/27/83/79/387278379.db2.gz YYVCWDJUGYICBW-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCCC12CCOCC2 ZINC000423395505 387280483 /nfs/dbraw/zinc/28/04/83/387280483.db2.gz SUEFPGNEIJFUCY-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000423435845 387286496 /nfs/dbraw/zinc/28/64/96/387286496.db2.gz SQWLPDRTUCNSTP-JHJVBQTASA-N 1 3 238.375 1.269 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCC12CCCC2 ZINC000423435845 387286502 /nfs/dbraw/zinc/28/65/02/387286502.db2.gz SQWLPDRTUCNSTP-JHJVBQTASA-N 1 3 238.375 1.269 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@@H](C)[C@H](C)[NH3+])C1(C)C ZINC000423437668 387288285 /nfs/dbraw/zinc/28/82/85/387288285.db2.gz GLDSZZQKZLKIFZ-FIQHERPVSA-N 1 3 228.380 1.904 20 0 BDADHO C1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C2(C1)CCOCC2 ZINC000423438281 387288730 /nfs/dbraw/zinc/28/87/30/387288730.db2.gz RBJLFVUNFOSGQH-XQHKEYJVSA-N 1 3 236.359 1.143 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CNC[C@H]1O)C1CCCC1 ZINC000423445580 387294543 /nfs/dbraw/zinc/29/45/43/387294543.db2.gz YKMCEAJHAUBZNE-FRRDWIJNSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423449811 387298899 /nfs/dbraw/zinc/29/88/99/387298899.db2.gz SEKJDAHDRBSGCU-KKJSVHSVSA-N 1 3 226.364 1.515 20 0 BDADHO CC(C)C[C@@H](CO)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000360495654 387299145 /nfs/dbraw/zinc/29/91/45/387299145.db2.gz MMJRAWZSWRTWPV-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)C[C@@H](CO)N(C)CC[C@H]1CCC[N@H+]1C ZINC000360495654 387299148 /nfs/dbraw/zinc/29/91/48/387299148.db2.gz MMJRAWZSWRTWPV-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643501844 387354925 /nfs/dbraw/zinc/35/49/25/387354925.db2.gz QZRPMHCQYGYWBU-DYEKYZERSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)[C@H](N)CC1CCCCC1 ZINC000423527236 387356270 /nfs/dbraw/zinc/35/62/70/387356270.db2.gz MCUNTUVGWFCISZ-CMPLNLGQSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)CN1C1CC1 ZINC000423530345 387359312 /nfs/dbraw/zinc/35/93/12/387359312.db2.gz RCRZALNDGWIEDD-DGCLKSJQSA-N 1 3 237.391 1.343 20 0 BDADHO CC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423539800 387366736 /nfs/dbraw/zinc/36/67/36/387366736.db2.gz CAZGEHULCRETRO-WHOHXGKFSA-N 1 3 214.353 1.374 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)C[C@H]1C)C(C)C ZINC000360916683 387367339 /nfs/dbraw/zinc/36/73/39/387367339.db2.gz AOGZLUFJDPEYAS-KGLIPLIRSA-N 1 3 241.423 1.647 20 0 BDADHO COCCC[C@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC000423543496 387368448 /nfs/dbraw/zinc/36/84/48/387368448.db2.gz BZBLBJZOQJBDMK-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1Cc2ccccc21 ZINC000643453507 387370324 /nfs/dbraw/zinc/37/03/24/387370324.db2.gz IWYBRKNWPRUGLL-IACUBPJLSA-N 1 3 216.328 1.796 20 0 BDADHO C[C@@H](NC[C@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453704 387371259 /nfs/dbraw/zinc/37/12/59/387371259.db2.gz UEHLVSOJXBCBKL-ZYHUDNBSSA-N 1 3 216.328 1.524 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)C1CNC1 ZINC000643453704 387371262 /nfs/dbraw/zinc/37/12/62/387371262.db2.gz UEHLVSOJXBCBKL-ZYHUDNBSSA-N 1 3 216.328 1.524 20 0 BDADHO Cc1cc(CN[C@H](C)C[C@H](C)[NH3+])cc(C)n1 ZINC000423559685 387374684 /nfs/dbraw/zinc/37/46/84/387374684.db2.gz UCJHGDASLXFSNH-VHSXEESVSA-N 1 3 221.348 1.914 20 0 BDADHO Cc1cc(CN[C@@H](C)C[C@H](C)[NH3+])cc(C)n1 ZINC000423559684 387376384 /nfs/dbraw/zinc/37/63/84/387376384.db2.gz UCJHGDASLXFSNH-UWVGGRQHSA-N 1 3 221.348 1.914 20 0 BDADHO C[C@@H](N[C@H]1CCN(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462908 387321475 /nfs/dbraw/zinc/32/14/75/387321475.db2.gz YFGKGOTXMRPPDA-KWCYVHTRSA-N 1 3 237.391 1.201 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423486834 387334713 /nfs/dbraw/zinc/33/47/13/387334713.db2.gz ZYVKXENPHOAPCZ-WHOHXGKFSA-N 1 3 224.348 1.271 20 0 BDADHO C(N[C@@H]1CC[C@@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492242 387335391 /nfs/dbraw/zinc/33/53/91/387335391.db2.gz MHHOKGKKKMUIKT-MGPQQGTHSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@H]1CC1(C)C ZINC000423492293 387335861 /nfs/dbraw/zinc/33/58/61/387335861.db2.gz MLQUQTGTXNOMOC-QJPTWQEYSA-N 1 3 226.364 1.389 20 0 BDADHO C(N[C@@H]1CC[C@H]1C1CCC1)[C@H]1C[NH2+]CCCO1 ZINC000423492240 387336975 /nfs/dbraw/zinc/33/69/75/387336975.db2.gz MHHOKGKKKMUIKT-HZSPNIEDSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)N(CC)CC ZINC000423655030 387391005 /nfs/dbraw/zinc/39/10/05/387391005.db2.gz UPXBHZLMYCQKFE-QJPTWQEYSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)N(CC)CC ZINC000423655025 387391127 /nfs/dbraw/zinc/39/11/27/387391127.db2.gz UPXBHZLMYCQKFE-GRYCIOLGSA-N 1 3 241.379 1.055 20 0 BDADHO [NH3+]CC1(O)CCN(C/C=C\c2ccccc2)CC1 ZINC000397062108 387536726 /nfs/dbraw/zinc/53/67/26/387536726.db2.gz QVKOYQCOZNKDGD-DAXSKMNVSA-N 1 3 246.354 1.485 20 0 BDADHO C[C@@H](N[C@H]1CC[C@@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000643471024 387477887 /nfs/dbraw/zinc/47/78/87/387477887.db2.gz LXYUMJQNINQUKO-YIYPIFLZSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471224 387480265 /nfs/dbraw/zinc/48/02/65/387480265.db2.gz FNGYGIOXNILQJO-RYSNWHEDSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000528757997 387588492 /nfs/dbraw/zinc/58/84/92/387588492.db2.gz DNAZBQWXDKXHNG-XHJNMGKDSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000528757997 387588495 /nfs/dbraw/zinc/58/84/95/387588495.db2.gz DNAZBQWXDKXHNG-XHJNMGKDSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000528757997 387588498 /nfs/dbraw/zinc/58/84/98/387588498.db2.gz DNAZBQWXDKXHNG-XHJNMGKDSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000422541997 387597441 /nfs/dbraw/zinc/59/74/41/387597441.db2.gz PFTARSCFOBSEEZ-RNCFNFMXSA-N 1 3 247.342 1.772 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305364951 387601385 /nfs/dbraw/zinc/60/13/85/387601385.db2.gz VIAFMHJURWQIBJ-MELADBBJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305364951 387601389 /nfs/dbraw/zinc/60/13/89/387601389.db2.gz VIAFMHJURWQIBJ-MELADBBJSA-N 1 3 240.391 1.610 20 0 BDADHO Cc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)on1 ZINC000376055557 387603254 /nfs/dbraw/zinc/60/32/54/387603254.db2.gz JGWYTQRWTJAVBZ-YHWZYXNKSA-N 1 3 249.358 1.740 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618716 /nfs/dbraw/zinc/61/87/16/387618716.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618725 /nfs/dbraw/zinc/61/87/25/387618725.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618730 /nfs/dbraw/zinc/61/87/30/387618730.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCC[C@@H]1O ZINC000305636551 387618735 /nfs/dbraw/zinc/61/87/35/387618735.db2.gz ORZLZNOGZKVUTC-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000422706674 387620965 /nfs/dbraw/zinc/62/09/65/387620965.db2.gz UUYHJSKSCFFOMD-MJBXVCDLSA-N 1 3 240.391 1.645 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCCCO1 ZINC000422704426 387621608 /nfs/dbraw/zinc/62/16/08/387621608.db2.gz PQJMJQYOUIWWDM-UPJWGTAASA-N 1 3 226.364 1.805 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422708541 387622232 /nfs/dbraw/zinc/62/22/32/387622232.db2.gz JBRPMMDMTHMPFX-KBPBESRZSA-N 1 3 241.423 1.968 20 0 BDADHO C[C@@H](O)CC[N@H+](C)CC[C@H]1CCCN1C ZINC000305651452 387623065 /nfs/dbraw/zinc/62/30/65/387623065.db2.gz CDFYVSCOOLYWIO-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)CC[N@@H+](C)CC[C@H]1CCCN1C ZINC000305651452 387623069 /nfs/dbraw/zinc/62/30/69/387623069.db2.gz CDFYVSCOOLYWIO-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000305679721 387625121 /nfs/dbraw/zinc/62/51/21/387625121.db2.gz NCZZCWDSTCEEKL-QWHCGFSZSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000305679721 387625125 /nfs/dbraw/zinc/62/51/25/387625125.db2.gz NCZZCWDSTCEEKL-QWHCGFSZSA-N 1 3 228.380 1.562 20 0 BDADHO CCCCN(C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422712484 387625249 /nfs/dbraw/zinc/62/52/49/387625249.db2.gz OHIRKFQXEDKTNB-NWDGAFQWSA-N 1 3 215.385 1.434 20 0 BDADHO CC[C@@H](N)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000036871243 387557707 /nfs/dbraw/zinc/55/77/07/387557707.db2.gz RLWUQXMGIZWQBP-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305146255 387563282 /nfs/dbraw/zinc/56/32/82/387563282.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305146255 387563285 /nfs/dbraw/zinc/56/32/85/387563285.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC(C)(C)O ZINC000305146255 387563287 /nfs/dbraw/zinc/56/32/87/387563287.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC(C)(C)O ZINC000305146255 387563290 /nfs/dbraw/zinc/56/32/90/387563290.db2.gz YGPKOPFHJJHPTM-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422721623 387633903 /nfs/dbraw/zinc/63/39/03/387633903.db2.gz VVCFBPMYIRYRKJ-ZIAGYGMSSA-N 1 3 233.359 1.722 20 0 BDADHO CCCCOCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422726194 387636880 /nfs/dbraw/zinc/63/68/80/387636880.db2.gz DJWADCDJRKRCMO-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H](NC[C@@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422728323 387638179 /nfs/dbraw/zinc/63/81/79/387638179.db2.gz JBUORPYCKOUSRI-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422732037 387640455 /nfs/dbraw/zinc/64/04/55/387640455.db2.gz NDEIVSQBIITESC-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000422731743 387641368 /nfs/dbraw/zinc/64/13/68/387641368.db2.gz OCMDHKCTLRPCEF-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO CCOCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422735060 387642620 /nfs/dbraw/zinc/64/26/20/387642620.db2.gz UKJFDNAETIIDQJ-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@H]([NH3+])CC(=O)NCc1cccc(CN(C)C)c1 ZINC000430701886 387643144 /nfs/dbraw/zinc/64/31/44/387643144.db2.gz PSUVSQWRNBJCOF-NSHDSACASA-N 1 3 249.358 1.102 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430729110 387644217 /nfs/dbraw/zinc/64/42/17/387644217.db2.gz FGASFDFLWFKKRH-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccccn1 ZINC000422736949 387645271 /nfs/dbraw/zinc/64/52/71/387645271.db2.gz YWRRYOJZUPTEPW-TZMCWYRMSA-N 1 3 233.359 1.602 20 0 BDADHO CC[C@H](NC[C@H](C)N(C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746221 387650775 /nfs/dbraw/zinc/65/07/75/387650775.db2.gz WEWVQQOOCRDDPK-UBHSHLNASA-N 1 3 239.407 1.589 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000430795690 387652762 /nfs/dbraw/zinc/65/27/62/387652762.db2.gz HKONPHPLPALHIG-WOPDTQHZSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000430795690 387652765 /nfs/dbraw/zinc/65/27/65/387652765.db2.gz HKONPHPLPALHIG-WOPDTQHZSA-N 1 3 241.379 1.055 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CCCCC1 ZINC000422749591 387653078 /nfs/dbraw/zinc/65/30/78/387653078.db2.gz ZVCCDVBQHJNMHU-FPMFFAJLSA-N 1 3 240.391 1.909 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422750595 387656904 /nfs/dbraw/zinc/65/69/04/387656904.db2.gz DIWHNVIBZCRFSC-YNEHKIRRSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)CC(C)(C)C ZINC000422757661 387660386 /nfs/dbraw/zinc/66/03/86/387660386.db2.gz ISIUTWDVDAVSSD-HBNTYKKESA-N 1 3 216.369 1.499 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCn1ccnc1 ZINC000422757798 387661763 /nfs/dbraw/zinc/66/17/63/387661763.db2.gz MYPRTUPMORXVRX-NWDGAFQWSA-N 1 3 222.336 1.133 20 0 BDADHO CN(CCN1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430939415 387662607 /nfs/dbraw/zinc/66/26/07/387662607.db2.gz GCFHBSXGQNPTNR-ZDUSSCGKSA-N 1 3 233.359 1.403 20 0 BDADHO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN)c(C)n1 ZINC000643519856 387663201 /nfs/dbraw/zinc/66/32/01/387663201.db2.gz ZNSQQIUMCWEKDI-MWLCHTKSSA-N 1 3 207.321 1.696 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCCC1 ZINC000422767778 387668326 /nfs/dbraw/zinc/66/83/26/387668326.db2.gz ROCLQIZQQOQHLI-CHWSQXEVSA-N 1 3 225.380 1.060 20 0 BDADHO CN(CC[NH2+][C@@H]1CCC[C@H]1N)Cc1ccccc1 ZINC000422767328 387668536 /nfs/dbraw/zinc/66/85/36/387668536.db2.gz RXOSYKAKWXWRMD-HUUCEWRRSA-N 1 3 247.386 1.588 20 0 BDADHO CN(CCN[C@@H]1CCC[C@H]1[NH3+])Cc1ccccc1 ZINC000422767328 387668542 /nfs/dbraw/zinc/66/85/42/387668542.db2.gz RXOSYKAKWXWRMD-HUUCEWRRSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@@H]([NH2+]CCN1CCCC1)c1cnccc1N ZINC000422770616 387669437 /nfs/dbraw/zinc/66/94/37/387669437.db2.gz UXSMJPIPWVTKJK-LLVKDONJSA-N 1 3 234.347 1.241 20 0 BDADHO C[C@H]([NH3+])CC(=O)N(CCN(C)C)c1ccccc1 ZINC000431050441 387673107 /nfs/dbraw/zinc/67/31/07/387673107.db2.gz UKQGUOKJHLANKL-LBPRGKRZSA-N 1 3 249.358 1.319 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1COc2ccccc2C1 ZINC000422775977 387673200 /nfs/dbraw/zinc/67/32/00/387673200.db2.gz CTSSMKVHYDBWSA-DMDPSCGWSA-N 1 3 234.343 1.706 20 0 BDADHO C[C@@H](NC[C@H](C)N1CCC(C)CC1)C1C[NH2+]C1 ZINC000422778337 387674215 /nfs/dbraw/zinc/67/42/15/387674215.db2.gz HHOKMELXBBZBNV-QWHCGFSZSA-N 1 3 239.407 1.304 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742843 387690569 /nfs/dbraw/zinc/69/05/69/387690569.db2.gz QTNLCCUISWUGEA-STQMWFEESA-N 1 3 220.316 1.148 20 0 BDADHO CC(C)COCCC[NH2+][C@H](C)C1CNC1 ZINC000422788305 387691192 /nfs/dbraw/zinc/69/11/92/387691192.db2.gz RDKVKCWBNAQOBZ-LLVKDONJSA-N 1 3 214.353 1.247 20 0 BDADHO CC(C)COCCCN[C@H](C)C1C[NH2+]C1 ZINC000422788305 387691196 /nfs/dbraw/zinc/69/11/96/387691196.db2.gz RDKVKCWBNAQOBZ-LLVKDONJSA-N 1 3 214.353 1.247 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000643525333 387743526 /nfs/dbraw/zinc/74/35/26/387743526.db2.gz XCNIBFKJNFUTQM-RVMXOQNASA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1CCCN(CCN[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861983 387743849 /nfs/dbraw/zinc/74/38/49/387743849.db2.gz PGOBPEAJEDUIBY-HZSPNIEDSA-N 1 3 239.407 1.435 20 0 BDADHO C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861059 387744537 /nfs/dbraw/zinc/74/45/37/387744537.db2.gz IWPSFOKHDXQSHP-GFQSEFKGSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@@H](NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871382 387748794 /nfs/dbraw/zinc/74/87/94/387748794.db2.gz ZYKKWJFGZYPKMM-MCIONIFRSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422868788 387749047 /nfs/dbraw/zinc/74/90/47/387749047.db2.gz WBBITIHZVSEVGH-FRRDWIJNSA-N 1 3 225.380 1.330 20 0 BDADHO CC[C@@H](Cc1ccccc1)NC[C@H](C)[NH3+] ZINC000643525671 387752056 /nfs/dbraw/zinc/75/20/56/387752056.db2.gz AAHUQFDSSJVUCH-AAEUAGOBSA-N 1 3 206.333 1.945 20 0 BDADHO CC[C@@H](C)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441370467 387754504 /nfs/dbraw/zinc/75/45/04/387754504.db2.gz HRSATYNLVLDLQE-CYBMUJFWSA-N 1 3 241.423 1.648 20 0 BDADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422806361 387704911 /nfs/dbraw/zinc/70/49/11/387704911.db2.gz KMRXSBOXCGKSBI-FRRDWIJNSA-N 1 3 228.380 1.635 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)C(C)C ZINC000422806361 387704917 /nfs/dbraw/zinc/70/49/17/387704917.db2.gz KMRXSBOXCGKSBI-FRRDWIJNSA-N 1 3 228.380 1.635 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C(C)(C)C ZINC000422806897 387705267 /nfs/dbraw/zinc/70/52/67/387705267.db2.gz IWWDIMFAIYLITC-GARJFASQSA-N 1 3 216.369 1.763 20 0 BDADHO CSCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377262365 387708099 /nfs/dbraw/zinc/70/80/99/387708099.db2.gz PGXDHQQZFPTALP-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CSCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377262365 387708101 /nfs/dbraw/zinc/70/81/01/387708101.db2.gz PGXDHQQZFPTALP-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO C[C@H](Cc1cccs1)N[C@@H](C)C1C[NH2+]C1 ZINC000422808271 387708254 /nfs/dbraw/zinc/70/82/54/387708254.db2.gz OCZZRJWYVPAPLL-ZJUUUORDSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@H](Cc1cccs1)[NH2+][C@@H](C)C1CNC1 ZINC000422808271 387708262 /nfs/dbraw/zinc/70/82/62/387708262.db2.gz OCZZRJWYVPAPLL-ZJUUUORDSA-N 1 3 224.373 1.877 20 0 BDADHO CCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCOCC1 ZINC000422814017 387711207 /nfs/dbraw/zinc/71/12/07/387711207.db2.gz SWZHMVSNBICBQA-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO CCC1(C[NH2+][C@H](C)C[C@H](C)N)CCOCC1 ZINC000422814018 387711295 /nfs/dbraw/zinc/71/12/95/387711295.db2.gz SWZHMVSNBICBQA-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1(CCO)CCCC1 ZINC000422812825 387711420 /nfs/dbraw/zinc/71/14/20/387711420.db2.gz RBGZPTZLSXAPEW-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000422815968 387715115 /nfs/dbraw/zinc/71/51/15/387715115.db2.gz YVULIJCLCMQMOG-OLZOCXBDSA-N 1 3 240.391 1.646 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790432 387717759 /nfs/dbraw/zinc/71/77/59/387717759.db2.gz OGEZLYQZONGGLN-YIFLHPOLSA-N 1 3 236.359 1.382 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790432 387717762 /nfs/dbraw/zinc/71/77/62/387717762.db2.gz OGEZLYQZONGGLN-YIFLHPOLSA-N 1 3 236.359 1.382 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCOC1CCCC1 ZINC000422823914 387719911 /nfs/dbraw/zinc/71/99/11/387719911.db2.gz FKXMLVKAISEMEJ-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](CN1CCCCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000422829709 387721599 /nfs/dbraw/zinc/72/15/99/387721599.db2.gz HSHTVWODOPKVJY-RYUDHWBXSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000127794695 387725225 /nfs/dbraw/zinc/72/52/25/387725225.db2.gz CCOCOJRQQBETMJ-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCO1 ZINC000127794695 387725230 /nfs/dbraw/zinc/72/52/30/387725230.db2.gz CCOCOJRQQBETMJ-REWJHTLYSA-N 1 3 238.375 1.770 20 0 BDADHO COC1CCC(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000422841720 387731962 /nfs/dbraw/zinc/73/19/62/387731962.db2.gz WRSWCUZNNIEZQX-OKZRHMCRSA-N 1 3 228.380 1.907 20 0 BDADHO CCN(C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128029164 387735350 /nfs/dbraw/zinc/73/53/50/387735350.db2.gz VYFCIXVTBBAKCF-QWHCGFSZSA-N 1 3 225.380 1.155 20 0 BDADHO CCN(C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128029164 387735355 /nfs/dbraw/zinc/73/53/55/387735355.db2.gz VYFCIXVTBBAKCF-QWHCGFSZSA-N 1 3 225.380 1.155 20 0 BDADHO COC[C@H](NC[C@@H](C)[NH3+])C1CCCC1 ZINC000643527548 387765124 /nfs/dbraw/zinc/76/51/24/387765124.db2.gz OJCCCXTZFYGACB-KOLCDFICSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCNCC[C@H]1C ZINC000422898009 387766733 /nfs/dbraw/zinc/76/67/33/387766733.db2.gz DGWCMBYSWKVCGX-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C)N ZINC000643529008 387771934 /nfs/dbraw/zinc/77/19/34/387771934.db2.gz SOHRYANSXCKPNL-CABZTGNLSA-N 1 3 220.316 1.619 20 0 BDADHO COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](C)N ZINC000643529010 387773391 /nfs/dbraw/zinc/77/33/91/387773391.db2.gz SOHRYANSXCKPNL-SKDRFNHKSA-N 1 3 220.316 1.619 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCC(F)(F)F ZINC000422917880 387774179 /nfs/dbraw/zinc/77/41/79/387774179.db2.gz FXRHBRALVQRSSG-RKDXNWHRSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000643529106 387774469 /nfs/dbraw/zinc/77/44/69/387774469.db2.gz VGPGQQPIYADCTG-UWVGGRQHSA-N 1 3 220.316 1.715 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000422920064 387775166 /nfs/dbraw/zinc/77/51/66/387775166.db2.gz LNMPKJZHPNSNIZ-IJLUTSLNSA-N 1 3 226.364 1.519 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCSC1 ZINC000422921730 387775766 /nfs/dbraw/zinc/77/57/66/387775766.db2.gz QSPBVPWGVMRABH-HBNTYKKESA-N 1 3 214.378 1.742 20 0 BDADHO CCOCCC1(C[NH2+][C@@H](C)C2CNC2)CCC1 ZINC000422933767 387783160 /nfs/dbraw/zinc/78/31/60/387783160.db2.gz DSLBRTJLKMEHNW-LBPRGKRZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccc(F)cc1 ZINC000422945029 387785730 /nfs/dbraw/zinc/78/57/30/387785730.db2.gz SZECKZUJAIQBSM-MNOVXSKESA-N 1 3 240.322 1.920 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1N ZINC000422902037 387787236 /nfs/dbraw/zinc/78/72/36/387787236.db2.gz COAZESYODFHXKH-JHJVBQTASA-N 1 3 225.380 1.330 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902767 387787469 /nfs/dbraw/zinc/78/74/69/387787469.db2.gz NMBNHLHZJBMVRC-YIPFDTCYSA-N 1 3 238.375 1.817 20 0 BDADHO CCN(C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132089581 387787758 /nfs/dbraw/zinc/78/77/58/387787758.db2.gz WWZYGKBGEIAKAZ-UONOGXRCSA-N 1 3 233.359 1.673 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422981814 387794527 /nfs/dbraw/zinc/79/45/27/387794527.db2.gz UMVFBJJDEWZMHG-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422981814 387794531 /nfs/dbraw/zinc/79/45/31/387794531.db2.gz UMVFBJJDEWZMHG-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)COC2 ZINC000422986714 387796011 /nfs/dbraw/zinc/79/60/11/387796011.db2.gz DHFVPIVKGNPQPR-QWRGUYRKSA-N 1 3 234.343 1.932 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CNCC[C@@H]2C)[nH]n1 ZINC000422991876 387799607 /nfs/dbraw/zinc/79/96/07/387799607.db2.gz QGYDJSZMVKAQFH-KWBADKCTSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)n[nH]1 ZINC000422991876 387799610 /nfs/dbraw/zinc/79/96/10/387799610.db2.gz QGYDJSZMVKAQFH-KWBADKCTSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)[nH]n1 ZINC000422991876 387799613 /nfs/dbraw/zinc/79/96/13/387799613.db2.gz QGYDJSZMVKAQFH-KWBADKCTSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CNCC[C@@H]2C)n[nH]1 ZINC000422991876 387799616 /nfs/dbraw/zinc/79/96/16/387799616.db2.gz QGYDJSZMVKAQFH-KWBADKCTSA-N 1 3 236.363 1.237 20 0 BDADHO C[C@H]([NH2+]CCC[C@H]1CCCC[C@H]1O)C1CNC1 ZINC000422991348 387800393 /nfs/dbraw/zinc/80/03/93/387800393.db2.gz PKSRSMBXXVCDTE-OUCADQQQSA-N 1 3 240.391 1.515 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422996887 387803411 /nfs/dbraw/zinc/80/34/11/387803411.db2.gz ADSOFEQAAYYDKU-SRVKXCTJSA-N 1 3 230.396 1.745 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000422996887 387803414 /nfs/dbraw/zinc/80/34/14/387803414.db2.gz ADSOFEQAAYYDKU-SRVKXCTJSA-N 1 3 230.396 1.745 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)CN[C@@H](C)C1C[NH2+]C1 ZINC000423000712 387804397 /nfs/dbraw/zinc/80/43/97/387804397.db2.gz HFCNATALJZWCST-CMPLNLGQSA-N 1 3 228.380 1.227 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)C1CNC1 ZINC000423000712 387804402 /nfs/dbraw/zinc/80/44/02/387804402.db2.gz HFCNATALJZWCST-CMPLNLGQSA-N 1 3 228.380 1.227 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@@H](C)C1C[NH2+]C1 ZINC000423000965 387804809 /nfs/dbraw/zinc/80/48/09/387804809.db2.gz HFCNATALJZWCST-JQWIXIFHSA-N 1 3 228.380 1.227 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)C1CNC1 ZINC000423000965 387804813 /nfs/dbraw/zinc/80/48/13/387804813.db2.gz HFCNATALJZWCST-JQWIXIFHSA-N 1 3 228.380 1.227 20 0 BDADHO CCC[C@H](C(=O)NCC([NH3+])(CC)CC)N(C)C ZINC000422880851 387757596 /nfs/dbraw/zinc/75/75/96/387757596.db2.gz PAFFUJXKLIHGRQ-LLVKDONJSA-N 1 3 243.395 1.350 20 0 BDADHO CCN(CCN[C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000422882465 387758048 /nfs/dbraw/zinc/75/80/48/387758048.db2.gz SIRKYMFUGKFYFP-YPMHNXCESA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000422881238 387758569 /nfs/dbraw/zinc/75/85/69/387758569.db2.gz YKGOECCRRMITJM-GRYCIOLGSA-N 1 3 228.405 1.860 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccccc1O ZINC000422972316 387821473 /nfs/dbraw/zinc/82/14/73/387821473.db2.gz KZQAVHPNUALONM-OLZOCXBDSA-N 1 3 234.343 1.652 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422972316 387821474 /nfs/dbraw/zinc/82/14/74/387821474.db2.gz KZQAVHPNUALONM-OLZOCXBDSA-N 1 3 234.343 1.652 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccccc1O ZINC000422972318 387821937 /nfs/dbraw/zinc/82/19/37/387821937.db2.gz KZQAVHPNUALONM-STQMWFEESA-N 1 3 234.343 1.652 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1O ZINC000422972318 387821941 /nfs/dbraw/zinc/82/19/41/387821941.db2.gz KZQAVHPNUALONM-STQMWFEESA-N 1 3 234.343 1.652 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)N[C@H]1CCC[C@@H]1[NH3+] ZINC000422975876 387826639 /nfs/dbraw/zinc/82/66/39/387826639.db2.gz HOYQPJUINHBMDC-SWHYSGLUSA-N 1 3 234.343 1.793 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000442714039 387827101 /nfs/dbraw/zinc/82/71/01/387827101.db2.gz KLYJGWPVTLIAHY-SRVKXCTJSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H](N[C@@H](C)C1C[NH2+]C1)[C@@H]1COc2ccccc21 ZINC000423006157 387827889 /nfs/dbraw/zinc/82/78/89/387827889.db2.gz UIAIZFHUOFYVSQ-WDMOLILDSA-N 1 3 246.354 1.749 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)C1CNC1)[C@@H]1COc2ccccc21 ZINC000423006157 387827894 /nfs/dbraw/zinc/82/78/94/387827894.db2.gz UIAIZFHUOFYVSQ-WDMOLILDSA-N 1 3 246.354 1.749 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000442719613 387828692 /nfs/dbraw/zinc/82/86/92/387828692.db2.gz RPXOWALFSQICFL-SRVKXCTJSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000423005224 387829780 /nfs/dbraw/zinc/82/97/80/387829780.db2.gz LXYUMJQNINQUKO-XDQVBPFNSA-N 1 3 240.391 1.658 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423006829 387829907 /nfs/dbraw/zinc/82/99/07/387829907.db2.gz WNNLXXSKKAEIAU-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1ccccn1 ZINC000423008184 387831741 /nfs/dbraw/zinc/83/17/41/387831741.db2.gz SNTHHFVTNLSRML-OLZOCXBDSA-N 1 3 248.374 1.471 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCNc1ccccn1 ZINC000423010828 387833717 /nfs/dbraw/zinc/83/37/17/387833717.db2.gz YNXBKQPGMXJUKM-MNOVXSKESA-N 1 3 222.336 1.209 20 0 BDADHO C[C@H](NC[C@H]1CCC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000423010102 387834441 /nfs/dbraw/zinc/83/44/41/387834441.db2.gz WYYTUBNNADSIGZ-XDQVBPFNSA-N 1 3 240.391 1.658 20 0 BDADHO Cc1cnccc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000423014287 387836524 /nfs/dbraw/zinc/83/65/24/387836524.db2.gz OSZAQIPXGLEPNZ-KBPBESRZSA-N 1 3 233.359 1.650 20 0 BDADHO CC[C@@H](CSC)N[C@@H](C)C1C[NH2+]C1 ZINC000423013989 387836684 /nfs/dbraw/zinc/83/66/84/387836684.db2.gz HFQOCWSJQQWTSF-WPRPVWTQSA-N 1 3 202.367 1.326 20 0 BDADHO CC[C@@H](CSC)[NH2+][C@@H](C)C1CNC1 ZINC000423013989 387836687 /nfs/dbraw/zinc/83/66/87/387836687.db2.gz HFQOCWSJQQWTSF-WPRPVWTQSA-N 1 3 202.367 1.326 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423014395 387839191 /nfs/dbraw/zinc/83/91/91/387839191.db2.gz IIRNMYWAURMSNZ-KKOKHZNYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](N[C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423017876 387840196 /nfs/dbraw/zinc/84/01/96/387840196.db2.gz PSJWPCNQLTZBIR-NDBYEHHHSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CN ZINC000423019276 387840824 /nfs/dbraw/zinc/84/08/24/387840824.db2.gz UYXVSEJGKQRFJD-QNWHQSFQSA-N 1 3 226.364 1.519 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCCS1 ZINC000423028581 387847300 /nfs/dbraw/zinc/84/73/00/387847300.db2.gz GUDBKGBICJHFHC-HBNTYKKESA-N 1 3 214.378 1.742 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032426 387848251 /nfs/dbraw/zinc/84/82/51/387848251.db2.gz MSKFOGCTURNMKS-QNWHQSFQSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000423036529 387851710 /nfs/dbraw/zinc/85/17/10/387851710.db2.gz UGTUCRUDNYMTQH-WUHRBBMRSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC[C@@H]1CCCCO1 ZINC000423042896 387854911 /nfs/dbraw/zinc/85/49/11/387854911.db2.gz MPDLCNNFOHUOAG-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H]1CCCCO1 ZINC000423043581 387855470 /nfs/dbraw/zinc/85/54/70/387855470.db2.gz PDZSDXADORFORR-QJPTWQEYSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423043316 387855576 /nfs/dbraw/zinc/85/55/76/387855576.db2.gz OIQFHGDNZXPCNK-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO COC1CCC(CC[NH2+][C@@H](C)C2CNC2)CC1 ZINC000423042459 387856242 /nfs/dbraw/zinc/85/62/42/387856242.db2.gz ZHMCUEIMCOEXQZ-DCBWTQNWSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH2+]CC1(N(C)C)CCC1)c1cnccc1N ZINC000423060060 387864933 /nfs/dbraw/zinc/86/49/33/387864933.db2.gz NIONSIUTFMZJAF-NSHDSACASA-N 1 3 248.374 1.629 20 0 BDADHO C[C@H](NCC1([NH+](C)C)CCC1)c1cnccc1N ZINC000423060060 387864938 /nfs/dbraw/zinc/86/49/38/387864938.db2.gz NIONSIUTFMZJAF-NSHDSACASA-N 1 3 248.374 1.629 20 0 BDADHO CC[C@@H](CO)N[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423058257 387865357 /nfs/dbraw/zinc/86/53/57/387865357.db2.gz JBXBRAWXSMFJCA-KWCYVHTRSA-N 1 3 236.359 1.305 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423066161 387869613 /nfs/dbraw/zinc/86/96/13/387869613.db2.gz WFBXNLWWRQGKNF-JQYRIEHKSA-N 1 3 224.348 1.018 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOCC(F)F ZINC000423065806 387870163 /nfs/dbraw/zinc/87/01/63/387870163.db2.gz CMSWBSJCEXACQP-VHSXEESVSA-N 1 3 236.306 1.246 20 0 BDADHO CCOC1CC(CC[NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000423069755 387871447 /nfs/dbraw/zinc/87/14/47/387871447.db2.gz LZCAIBZLNMKADJ-ZSVAQUKISA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCC[C@H]1OC(F)F ZINC000423116618 387898865 /nfs/dbraw/zinc/89/88/65/387898865.db2.gz QPUCOKBBCBTICK-ZYUZMQFOSA-N 1 3 236.306 1.862 20 0 BDADHO C[C@@H](N[C@@H]1CCC[C@H]1OC(F)F)[C@H]1CC[NH2+]C1 ZINC000423109503 387893226 /nfs/dbraw/zinc/89/32/26/387893226.db2.gz HIZKPJFOQANXLX-LMLFDSFASA-N 1 3 248.317 1.734 20 0 BDADHO C[C@@H]1C[C@@H](CC[NH2+][C@H]2CCNC2)C[C@H](C)O1 ZINC000423115400 387896995 /nfs/dbraw/zinc/89/69/95/387896995.db2.gz NFURSSCDWSGQBT-RNJOBUHISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCC[C@H]1OC(F)F ZINC000423116616 387898100 /nfs/dbraw/zinc/89/81/00/387898100.db2.gz QPUCOKBBCBTICK-SGIHWFKDSA-N 1 3 236.306 1.862 20 0 BDADHO CO[C@H]1CCCC[C@@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423118000 387898149 /nfs/dbraw/zinc/89/81/49/387898149.db2.gz YBEIFGLXSUAMHU-DLOVCJGASA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423118000 387898155 /nfs/dbraw/zinc/89/81/55/387898155.db2.gz YBEIFGLXSUAMHU-DLOVCJGASA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](NCCN1CCCC(C)(C)C1)C1C[NH2+]C1 ZINC000423078328 387876541 /nfs/dbraw/zinc/87/65/41/387876541.db2.gz VRTKHYZANWDMQT-GFCCVEGCSA-N 1 3 239.407 1.306 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000423082910 387878241 /nfs/dbraw/zinc/87/82/41/387878241.db2.gz FEQBEHRTVLWSSP-GRYCIOLGSA-N 1 3 228.405 1.717 20 0 BDADHO CC(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)O ZINC000423082758 387879037 /nfs/dbraw/zinc/87/90/37/387879037.db2.gz XIYPQPIUTMTBJA-HNGCFSAESA-N 1 3 240.391 1.655 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCC1(CO)CC2(CCC2)C1 ZINC000423082959 387879071 /nfs/dbraw/zinc/87/90/71/387879071.db2.gz FXUSVUUCFTWQJM-VXGBXAGGSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082959 387879074 /nfs/dbraw/zinc/87/90/74/387879074.db2.gz FXUSVUUCFTWQJM-VXGBXAGGSA-N 1 3 240.391 1.645 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000423092835 387882185 /nfs/dbraw/zinc/88/21/85/387882185.db2.gz DPWGNUYRFPDBQR-KKOKHZNYSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000423092835 387882192 /nfs/dbraw/zinc/88/21/92/387882192.db2.gz DPWGNUYRFPDBQR-KKOKHZNYSA-N 1 3 242.363 1.434 20 0 BDADHO CCn1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1=O ZINC000423090168 387882392 /nfs/dbraw/zinc/88/23/92/387882392.db2.gz USCBETJXRPTXPS-AAEUAGOBSA-N 1 3 249.358 1.085 20 0 BDADHO NC[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357061 387888436 /nfs/dbraw/zinc/88/84/36/387888436.db2.gz SUVQLGVAMIOWQA-GHMZBOCLSA-N 1 3 248.317 1.471 20 0 BDADHO NC[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCCO1 ZINC000313357061 387888438 /nfs/dbraw/zinc/88/84/38/387888438.db2.gz SUVQLGVAMIOWQA-GHMZBOCLSA-N 1 3 248.317 1.471 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000423103557 387889106 /nfs/dbraw/zinc/88/91/06/387889106.db2.gz LDBJLHLMRHCFTK-NEPJUHHUSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCC1(O)CCC1 ZINC000423103557 387889109 /nfs/dbraw/zinc/88/91/09/387889109.db2.gz LDBJLHLMRHCFTK-NEPJUHHUSA-N 1 3 226.364 1.269 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423140210 387918551 /nfs/dbraw/zinc/91/85/51/387918551.db2.gz XTJUASFWGWLQJS-IQJOONFLSA-N 1 3 200.326 1.127 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCCOC2)c2ccccc21 ZINC000423123256 387902764 /nfs/dbraw/zinc/90/27/64/387902764.db2.gz KUXJKMIIFIGTHT-LEWSCRJBSA-N 1 3 232.327 1.900 20 0 BDADHO OC[C@H](CC1CCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423122436 387903552 /nfs/dbraw/zinc/90/35/52/387903552.db2.gz CEVZMMNMMPAUGI-PIGZVRMJSA-N 1 3 238.375 1.410 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H](C)C1CNC1 ZINC000423125438 387903713 /nfs/dbraw/zinc/90/37/13/387903713.db2.gz QKUJQIACXUYPFS-JTQLQIEISA-N 1 3 214.353 1.247 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423134190 387911438 /nfs/dbraw/zinc/91/14/38/387911438.db2.gz DMIQXNUANIWUEO-YNEHKIRRSA-N 1 3 226.364 1.112 20 0 BDADHO C[C@H](F)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423138929 387916282 /nfs/dbraw/zinc/91/62/82/387916282.db2.gz UKLJPHNWMRVWBD-VWYCJHECSA-N 1 3 202.317 1.712 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000423155700 387933914 /nfs/dbraw/zinc/93/39/14/387933914.db2.gz LIIOAYCKNHOFDW-RYUDHWBXSA-N 1 3 242.407 1.761 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1N[C@@H]1CCC[C@@H]1F ZINC000423144758 387921259 /nfs/dbraw/zinc/92/12/59/387921259.db2.gz HWFNWFRVCCOKRO-NOOOWODRSA-N 1 3 214.328 1.984 20 0 BDADHO COC[C@@H](C)[NH2+]Cc1ccc(CN(C)C)cc1 ZINC000237165649 387925103 /nfs/dbraw/zinc/92/51/03/387925103.db2.gz QVCIOHIRTQMYTA-GFCCVEGCSA-N 1 3 236.359 1.873 20 0 BDADHO COC[C@@H](C)NCc1ccc(C[NH+](C)C)cc1 ZINC000237165649 387925108 /nfs/dbraw/zinc/92/51/08/387925108.db2.gz QVCIOHIRTQMYTA-GFCCVEGCSA-N 1 3 236.359 1.873 20 0 BDADHO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423149795 387927228 /nfs/dbraw/zinc/92/72/28/387927228.db2.gz IBQBUEXRZXPLSK-MROQNXINSA-N 1 3 210.365 1.996 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224633 387938258 /nfs/dbraw/zinc/93/82/58/387938258.db2.gz OECOGFRKFQEZKO-ZWNOBZJWSA-N 1 3 249.358 1.766 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000424234201 387943107 /nfs/dbraw/zinc/94/31/07/387943107.db2.gz GLCZQNVXCZMVJU-NSHDSACASA-N 1 3 247.342 1.392 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOCC1CCCC1 ZINC000423161826 387943589 /nfs/dbraw/zinc/94/35/89/387943589.db2.gz JTMZIVQVNNQEEW-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO C(N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165528 387948691 /nfs/dbraw/zinc/94/86/91/387948691.db2.gz YIWPBXNRFNDZNT-MQYQWHSLSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423166229 387950758 /nfs/dbraw/zinc/95/07/58/387950758.db2.gz QZIISFOYKGVMDD-FIQHERPVSA-N 1 3 214.353 1.658 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)nc1 ZINC000423165828 387950894 /nfs/dbraw/zinc/95/08/94/387950894.db2.gz QJWHLHVADGFVIW-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000423165828 387950897 /nfs/dbraw/zinc/95/08/97/387950897.db2.gz QJWHLHVADGFVIW-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172787 387960165 /nfs/dbraw/zinc/96/01/65/387960165.db2.gz VGENCBOOCHAKQR-ADEWGFFLSA-N 1 3 224.348 1.142 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H](C)C2CNC2)C12CCC2 ZINC000423172787 387960168 /nfs/dbraw/zinc/96/01/68/387960168.db2.gz VGENCBOOCHAKQR-ADEWGFFLSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCN)C1 ZINC000423182376 387967380 /nfs/dbraw/zinc/96/73/80/387967380.db2.gz LPRQRUWFAPWAPZ-OCCSQVGLSA-N 1 3 233.359 1.370 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H](NCC[NH3+])C1 ZINC000423182376 387967381 /nfs/dbraw/zinc/96/73/81/387967381.db2.gz LPRQRUWFAPWAPZ-OCCSQVGLSA-N 1 3 233.359 1.370 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCN ZINC000423181089 387968315 /nfs/dbraw/zinc/96/83/15/387968315.db2.gz FJCLCNIDTUYXGC-MNOVXSKESA-N 1 3 200.326 1.130 20 0 BDADHO [NH3+]CCCN[C@H]1CCc2ccccc2OC1 ZINC000423184738 387969067 /nfs/dbraw/zinc/96/90/67/387969067.db2.gz INUFQUKJMVKSNF-LBPRGKRZSA-N 1 3 220.316 1.319 20 0 BDADHO C[C@@H](NCCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000423186139 387971760 /nfs/dbraw/zinc/97/17/60/387971760.db2.gz WMHCJTKMAUVVIE-LLVKDONJSA-N 1 3 245.330 1.267 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000245694974 387973776 /nfs/dbraw/zinc/97/37/76/387973776.db2.gz WSHGXOGVRNIDLX-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000245694974 387973781 /nfs/dbraw/zinc/97/37/81/387973781.db2.gz WSHGXOGVRNIDLX-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000423190509 387975512 /nfs/dbraw/zinc/97/55/12/387975512.db2.gz RXCJEYDNYWOLJV-ROKHWSDSSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC000423190981 387975994 /nfs/dbraw/zinc/97/59/94/387975994.db2.gz TXHNALKLABGQQA-NXEZZACHSA-N 1 3 200.326 1.127 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH2+]C)C12CCCC2 ZINC000423202214 387987965 /nfs/dbraw/zinc/98/79/65/387987965.db2.gz QHVZLNJOZAGVPF-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000423204494 387990044 /nfs/dbraw/zinc/99/00/44/387990044.db2.gz BAFREBWHTDHARV-SYBDTXHTSA-N 1 3 224.348 1.425 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+](C)CC1(CO)CC1 ZINC000446068178 387991434 /nfs/dbraw/zinc/99/14/34/387991434.db2.gz FDNLHTFBEDACMY-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+](C)CC1(CO)CC1 ZINC000446068178 387991438 /nfs/dbraw/zinc/99/14/38/387991438.db2.gz FDNLHTFBEDACMY-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CNCCC[NH2+][C@H](C)C1CCSCC1 ZINC000423206973 387991792 /nfs/dbraw/zinc/99/17/92/387991792.db2.gz XLFKXMPUQOJFLS-SNVBAGLBSA-N 1 3 216.394 1.717 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1ccc(OC)nc1 ZINC000423208566 387993353 /nfs/dbraw/zinc/99/33/53/387993353.db2.gz ZFEUSLQXBYOXJQ-LLVKDONJSA-N 1 3 237.347 1.220 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424369509 387994161 /nfs/dbraw/zinc/99/41/61/387994161.db2.gz BYDGTEHHMBCFQY-QXALJWCJSA-N 1 3 238.375 1.517 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423199338 387986415 /nfs/dbraw/zinc/98/64/15/387986415.db2.gz JTXZHFVLBPLSJY-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO C1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCOC2)CN1 ZINC000423210331 387995784 /nfs/dbraw/zinc/99/57/84/387995784.db2.gz HKCRTAXGVWBOMN-SYQHCUMBSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000423214254 387996996 /nfs/dbraw/zinc/99/69/96/387996996.db2.gz ONFHYTGPMPNHSH-YRGRVCCFSA-N 1 3 237.391 1.058 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C12CCC2 ZINC000423225751 388007940 /nfs/dbraw/zinc/00/79/40/388007940.db2.gz OCGYXMWBMMWAOU-QJPTWQEYSA-N 1 3 226.364 1.661 20 0 BDADHO CCN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)[C@@H](C)C1 ZINC000424373577 387996459 /nfs/dbraw/zinc/99/64/59/387996459.db2.gz JTFSDXAQQHUTNC-LOWDOPEQSA-N 1 3 225.380 1.186 20 0 BDADHO C[C@@H](NC[C@H](N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241587 388024475 /nfs/dbraw/zinc/02/44/75/388024475.db2.gz DHXWAKYHQVPOKZ-KWCYVHTRSA-N 1 3 233.359 1.417 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1ccccc1 ZINC000423241471 388024839 /nfs/dbraw/zinc/02/48/39/388024839.db2.gz XTIUISSYXUOQSW-RYUDHWBXSA-N 1 3 249.358 1.731 20 0 BDADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423252008 388033088 /nfs/dbraw/zinc/03/30/88/388033088.db2.gz SUKJAYYKTUDFQU-MNOVXSKESA-N 1 3 208.305 1.930 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@@H]1CCOC ZINC000423250868 388034067 /nfs/dbraw/zinc/03/40/67/388034067.db2.gz UVSFKDIZQGBNQT-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000423255958 388036385 /nfs/dbraw/zinc/03/63/85/388036385.db2.gz BBFUDAZJYOXTMN-AVGNSLFASA-N 1 3 228.380 1.637 20 0 BDADHO C[C@@H](NC[C@@H](N)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244552 388027500 /nfs/dbraw/zinc/02/75/00/388027500.db2.gz HRSQNVZJZVXTPU-YUELXQCFSA-N 1 3 247.386 1.807 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H](C)C1CCSCC1 ZINC000423271661 388052114 /nfs/dbraw/zinc/05/21/14/388052114.db2.gz JFDFSYAEZSSCOC-GHMZBOCLSA-N 1 3 230.421 1.963 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@@H]1CCOC1 ZINC000423274439 388054723 /nfs/dbraw/zinc/05/47/23/388054723.db2.gz KMUFSTWRWLPBDQ-YIYPIFLZSA-N 1 3 240.391 1.909 20 0 BDADHO CCOCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000083552468 388055185 /nfs/dbraw/zinc/05/51/85/388055185.db2.gz CIDUXYVDARWAIJ-FUNVUKJBSA-N 1 3 226.364 1.628 20 0 BDADHO CCOC(=O)[C@H](CC)N1CCC[C@H](CC[NH3+])C1 ZINC000084105465 388072051 /nfs/dbraw/zinc/07/20/51/388072051.db2.gz BITQYMXXLXTMAY-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CCO[C@H](C)C1 ZINC000423288720 388073695 /nfs/dbraw/zinc/07/36/95/388073695.db2.gz UQTJQGSUMJYFGG-MNOVXSKESA-N 1 3 214.353 1.661 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000423291391 388076256 /nfs/dbraw/zinc/07/62/56/388076256.db2.gz ICRMPNPMWLPBRR-OUAUKWLOSA-N 1 3 214.353 1.659 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@H]1CCCO1 ZINC000423295216 388077304 /nfs/dbraw/zinc/07/73/04/388077304.db2.gz DQHUNQSRSVYUTI-QJPTWQEYSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494511 388103980 /nfs/dbraw/zinc/10/39/80/388103980.db2.gz FAHIOKOCLKYBRN-QNWHQSFQSA-N 1 3 226.364 1.125 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCc2ccccc2OC1 ZINC000423270720 388048775 /nfs/dbraw/zinc/04/87/75/388048775.db2.gz IFVZBQACWNVPPJ-TZMCWYRMSA-N 1 3 248.370 1.825 20 0 BDADHO C[C@@H](Cc1ccoc1)NCCC[NH+](C)C ZINC000449062967 388137738 /nfs/dbraw/zinc/13/77/38/388137738.db2.gz LBVUWGWLYFFOAM-NSHDSACASA-N 1 3 210.321 1.752 20 0 BDADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449122588 388145492 /nfs/dbraw/zinc/14/54/92/388145492.db2.gz MAJFJPASPLJTET-GWCFXTLKSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)[C@@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468537 388216106 /nfs/dbraw/zinc/21/61/06/388216106.db2.gz IQGOOUDHTHFPLP-ZWNOBZJWSA-N 1 3 249.358 1.306 20 0 BDADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H](C)[NH3+] ZINC000449605711 388240978 /nfs/dbraw/zinc/24/09/78/388240978.db2.gz WZRIGPWVFMTVSW-WDEREUQCSA-N 1 3 249.358 1.214 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000449608679 388241886 /nfs/dbraw/zinc/24/18/86/388241886.db2.gz JLAVEMLFPQGZMA-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCOCCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164666089 388242375 /nfs/dbraw/zinc/24/23/75/388242375.db2.gz IUDIVEWDQBUNEU-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO CCOCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164666089 388242377 /nfs/dbraw/zinc/24/23/77/388242377.db2.gz IUDIVEWDQBUNEU-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO CCOCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000164666089 388242379 /nfs/dbraw/zinc/24/23/79/388242379.db2.gz IUDIVEWDQBUNEU-VXGBXAGGSA-N 1 3 214.353 1.330 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C)CN(C)C)CCO1 ZINC000491572112 388304598 /nfs/dbraw/zinc/30/45/98/388304598.db2.gz LDUGUTSJASVXIP-MELADBBJSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CCCC[C@@H]1CCN ZINC000163540802 388364429 /nfs/dbraw/zinc/36/44/29/388364429.db2.gz GDFAZGAUGUMLHW-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@@H](C)C[N@H+]1CCCC[C@@H]1CCN ZINC000163540802 388364431 /nfs/dbraw/zinc/36/44/31/388364431.db2.gz GDFAZGAUGUMLHW-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000300386555 388364978 /nfs/dbraw/zinc/36/49/78/388364978.db2.gz RPHXZEYYFCFFSL-WYUUTHIRSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000300386555 388364982 /nfs/dbraw/zinc/36/49/82/388364982.db2.gz RPHXZEYYFCFFSL-WYUUTHIRSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1OCC[C@H]1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000300386555 388364984 /nfs/dbraw/zinc/36/49/84/388364984.db2.gz RPHXZEYYFCFFSL-WYUUTHIRSA-N 1 3 212.337 1.081 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000164060035 388373859 /nfs/dbraw/zinc/37/38/59/388373859.db2.gz HFMARUPKSYSHEC-MELADBBJSA-N 1 3 240.391 1.731 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236216474 388378530 /nfs/dbraw/zinc/37/85/30/388378530.db2.gz PGPCVGYIHMNPRY-CMPLNLGQSA-N 1 3 208.349 1.894 20 0 BDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000646578993 388388935 /nfs/dbraw/zinc/38/89/35/388388935.db2.gz MVWDSPPJISVZNJ-JOYOIKCWSA-N 1 3 233.315 1.082 20 0 BDADHO C[C@@]1(C(=O)Nc2cccc(CN)c2)CC[NH2+]C1 ZINC000646578895 388389230 /nfs/dbraw/zinc/38/92/30/388389230.db2.gz IVWZWHOJQZVVHS-CYBMUJFWSA-N 1 3 233.315 1.083 20 0 BDADHO COc1cccc([C@@H](C)NCCOCC[NH3+])c1 ZINC000572966722 388400196 /nfs/dbraw/zinc/40/01/96/388400196.db2.gz FKFSKMAINGYQIK-LLVKDONJSA-N 1 3 238.331 1.321 20 0 BDADHO CC(C)CCOCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405315205 388458722 /nfs/dbraw/zinc/45/87/22/388458722.db2.gz OYJSJGZANMMTTF-RYUDHWBXSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CCOCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000405315205 388458724 /nfs/dbraw/zinc/45/87/24/388458724.db2.gz OYJSJGZANMMTTF-RYUDHWBXSA-N 1 3 228.380 1.765 20 0 BDADHO CCOCCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397394559 388466009 /nfs/dbraw/zinc/46/60/09/388466009.db2.gz OVLFZJNQYLEEOW-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397394559 388466013 /nfs/dbraw/zinc/46/60/13/388466013.db2.gz OVLFZJNQYLEEOW-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397394559 388466015 /nfs/dbraw/zinc/46/60/15/388466015.db2.gz OVLFZJNQYLEEOW-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000261538045 135175425 /nfs/dbraw/zinc/17/54/25/135175425.db2.gz XGSBIOFQTSSAKU-QWRGUYRKSA-N 1 3 214.353 1.328 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1C[C@@H](O)C1(C)C ZINC000166363877 388426789 /nfs/dbraw/zinc/42/67/89/388426789.db2.gz BKOLJGLGUGIYEB-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000166363877 388426793 /nfs/dbraw/zinc/42/67/93/388426793.db2.gz BKOLJGLGUGIYEB-VXGBXAGGSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000393694717 388438024 /nfs/dbraw/zinc/43/80/24/388438024.db2.gz OFBZNYAXEMFYFG-SDDRHHMPSA-N 1 3 228.380 1.501 20 0 BDADHO CC(C)(O)CCNC1CC[NH+](CC2CC2)CC1 ZINC000548487075 388543477 /nfs/dbraw/zinc/54/34/77/388543477.db2.gz TUIIEEBSNJKHOW-UHFFFAOYSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CCCC1 ZINC000354404554 388543860 /nfs/dbraw/zinc/54/38/60/388543860.db2.gz IUDPHARDLXVSIF-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](F)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340467031 388490873 /nfs/dbraw/zinc/49/08/73/388490873.db2.gz NWNVTRXLRWMESY-TUAOUCFPSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@H](F)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000340467031 388490876 /nfs/dbraw/zinc/49/08/76/388490876.db2.gz NWNVTRXLRWMESY-TUAOUCFPSA-N 1 3 214.328 1.951 20 0 BDADHO CN1CCC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2N)C1 ZINC000516861237 388521199 /nfs/dbraw/zinc/52/11/99/388521199.db2.gz CPCDAJXHDSDBES-MGPQQGTHSA-N 1 3 239.407 1.578 20 0 BDADHO CCCCN(CC)C[C@@](C)(O)C[NH2+]C ZINC000516932570 388526380 /nfs/dbraw/zinc/52/63/80/388526380.db2.gz USSFNRFLVSPPRR-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(CCCOC)C1 ZINC000081516129 388580283 /nfs/dbraw/zinc/58/02/83/388580283.db2.gz CZAHYMQJPNJCLS-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(CCCOC)C1 ZINC000081516129 388580285 /nfs/dbraw/zinc/58/02/85/388580285.db2.gz CZAHYMQJPNJCLS-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CCCOC)C1 ZINC000081516129 388580288 /nfs/dbraw/zinc/58/02/88/388580288.db2.gz CZAHYMQJPNJCLS-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CCCOC)C1 ZINC000081516129 388580291 /nfs/dbraw/zinc/58/02/91/388580291.db2.gz CZAHYMQJPNJCLS-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO COCC(C)(C)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261547158 135239911 /nfs/dbraw/zinc/23/99/11/135239911.db2.gz LYIHMQSUQGBYHF-LBPRGKRZSA-N 1 3 214.353 1.330 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530178817 388621821 /nfs/dbraw/zinc/62/18/21/388621821.db2.gz OBCCBQVVVNSLAT-XBFCOCLRSA-N 1 3 249.402 1.343 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000328344909 388625737 /nfs/dbraw/zinc/62/57/37/388625737.db2.gz LWIRWLIWONEWIF-AAVRWANBSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209508 388627528 /nfs/dbraw/zinc/62/75/28/388627528.db2.gz IHGSWZYHRBWPAF-MCIONIFRSA-N 1 3 240.391 1.781 20 0 BDADHO Cn1cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc2n1 ZINC000530217125 388629933 /nfs/dbraw/zinc/62/99/33/388629933.db2.gz FWEVMKVSBCNCNM-QWHCGFSZSA-N 1 3 244.342 1.543 20 0 BDADHO C[C@@H](NC[C@@H](C)c1ccncc1)C1C[NH2+]C1 ZINC000530218687 388631897 /nfs/dbraw/zinc/63/18/97/388631897.db2.gz GRSSDLBHNFOFBG-GHMZBOCLSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)C1CNC1 ZINC000530218687 388631900 /nfs/dbraw/zinc/63/19/00/388631900.db2.gz GRSSDLBHNFOFBG-GHMZBOCLSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223336 388633598 /nfs/dbraw/zinc/63/35/98/388633598.db2.gz UEQKJKSZGWVUOK-IGJPJIBNSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC12CC(C1)CO2 ZINC000530223336 388633601 /nfs/dbraw/zinc/63/36/01/388633601.db2.gz UEQKJKSZGWVUOK-IGJPJIBNSA-N 1 3 224.348 1.143 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000251384338 388643436 /nfs/dbraw/zinc/64/34/36/388643436.db2.gz QHZLLDGSUBSZRG-QJPTWQEYSA-N 1 3 212.337 1.273 20 0 BDADHO CCN1CC[C@@H]([NH2+]Cc2cnn(C)c2)[C@@H](C)C1 ZINC000247252466 388660380 /nfs/dbraw/zinc/66/03/80/388660380.db2.gz ZBFONQGKCCCOEW-WCQYABFASA-N 1 3 236.363 1.240 20 0 BDADHO CSC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249487510 388724765 /nfs/dbraw/zinc/72/47/65/388724765.db2.gz XKZRZIXKOGZODC-GRYCIOLGSA-N 1 3 246.420 1.125 20 0 BDADHO CSC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249487510 388724767 /nfs/dbraw/zinc/72/47/67/388724767.db2.gz XKZRZIXKOGZODC-GRYCIOLGSA-N 1 3 246.420 1.125 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253233065 388809863 /nfs/dbraw/zinc/80/98/63/388809863.db2.gz LQGUNSNPUSZUJB-RFGFWPKPSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253233065 388809868 /nfs/dbraw/zinc/80/98/68/388809868.db2.gz LQGUNSNPUSZUJB-RFGFWPKPSA-N 1 3 238.375 1.506 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000230062685 388811792 /nfs/dbraw/zinc/81/17/92/388811792.db2.gz UXCBOZMQNSOWME-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000230062685 388811795 /nfs/dbraw/zinc/81/17/95/388811795.db2.gz UXCBOZMQNSOWME-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000230062685 388811798 /nfs/dbraw/zinc/81/17/98/388811798.db2.gz UXCBOZMQNSOWME-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703208 388771287 /nfs/dbraw/zinc/77/12/87/388771287.db2.gz KQFXAKGHKYXZFF-RWMBFGLXSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703208 388771291 /nfs/dbraw/zinc/77/12/91/388771291.db2.gz KQFXAKGHKYXZFF-RWMBFGLXSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCC(F)(F)F ZINC000252713148 388773552 /nfs/dbraw/zinc/77/35/52/388773552.db2.gz OLVGMQRJMPQBKO-RKDXNWHRSA-N 1 3 224.270 1.869 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCC(F)(F)F ZINC000252713148 388773554 /nfs/dbraw/zinc/77/35/54/388773554.db2.gz OLVGMQRJMPQBKO-RKDXNWHRSA-N 1 3 224.270 1.869 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCN(C)C)CCN1C ZINC000129553949 388851823 /nfs/dbraw/zinc/85/18/23/388851823.db2.gz XSCJRQGGNYXKLC-RYUDHWBXSA-N 1 3 213.369 1.010 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CCN1C ZINC000093978070 388857087 /nfs/dbraw/zinc/85/70/87/388857087.db2.gz AHOYTSCOKMUKDO-YPMHNXCESA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000193324710 388849980 /nfs/dbraw/zinc/84/99/80/388849980.db2.gz YYIYAIZPDRTDNI-SNVBAGLBSA-N 1 3 247.342 1.033 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000152790037 388882326 /nfs/dbraw/zinc/88/23/26/388882326.db2.gz KUMZSUXRKHXCQF-KGLIPLIRSA-N 1 3 241.423 1.648 20 0 BDADHO CN(C)Cc1ccccc1C(=O)NCCCC[NH3+] ZINC000565717044 388964412 /nfs/dbraw/zinc/96/44/12/388964412.db2.gz PQURZKDHKBHBLQ-UHFFFAOYSA-N 1 3 249.358 1.217 20 0 BDADHO F[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000565480323 388949064 /nfs/dbraw/zinc/94/90/64/388949064.db2.gz CMVYSTMYFXBJRF-GRYCIOLGSA-N 1 3 214.328 1.999 20 0 BDADHO Cc1n[nH]cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566056319 388985697 /nfs/dbraw/zinc/98/56/97/388985697.db2.gz OVPICGCFKXOFJL-QWHCGFSZSA-N 1 3 234.347 1.196 20 0 BDADHO C[C@@H]1CC([NH2+][C@@H]2CCNCC[C@H]2C)C[C@@H](C)O1 ZINC000566090655 388987236 /nfs/dbraw/zinc/98/72/36/388987236.db2.gz HHKCRRHXFFXRJQ-HKUMRIAESA-N 1 3 240.391 1.920 20 0 BDADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCCO1 ZINC000257742543 533364436 /nfs/dbraw/zinc/36/44/36/533364436.db2.gz ZDVHIDJLPDZWOM-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO C(CN1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000261596881 533365745 /nfs/dbraw/zinc/36/57/45/533365745.db2.gz ZAWUGJVUASMIOZ-QWHCGFSZSA-N 1 3 224.348 1.241 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000261562012 533375615 /nfs/dbraw/zinc/37/56/15/533375615.db2.gz VXOBSVIHGCDIPA-CYBMUJFWSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CCC2(C1)CCOCC2 ZINC000261562012 533375619 /nfs/dbraw/zinc/37/56/19/533375619.db2.gz VXOBSVIHGCDIPA-CYBMUJFWSA-N 1 3 238.375 1.489 20 0 BDADHO Cc1cc(N2CCN(CC3CC3)CC2)cc[nH+]1 ZINC000274355084 132202866 /nfs/dbraw/zinc/20/28/66/132202866.db2.gz LSJDAGPNWQMDRC-UHFFFAOYSA-N 1 3 231.343 1.922 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942955 134018178 /nfs/dbraw/zinc/01/81/78/134018178.db2.gz UQJHZRCLMFYFMM-YIFLHPOLSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cccc(N)c2)C1 ZINC000335964113 134027851 /nfs/dbraw/zinc/02/78/51/134027851.db2.gz QUZSZADBNGOKGV-JQWIXIFHSA-N 1 3 219.332 1.438 20 0 BDADHO CCN(CC[C@@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000352203206 134102684 /nfs/dbraw/zinc/10/26/84/134102684.db2.gz PYECPSNHHZGBTR-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(CC[C@@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000352203206 134102685 /nfs/dbraw/zinc/10/26/85/134102685.db2.gz PYECPSNHHZGBTR-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000169237547 134250140 /nfs/dbraw/zinc/25/01/40/134250140.db2.gz USSFRRDPOWPLCP-JFUSQASVSA-N 1 3 206.289 1.102 20 0 BDADHO C[C@@H]1CCC[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282116 134274881 /nfs/dbraw/zinc/27/48/81/134274881.db2.gz USOUBFKDIALJKA-SYQHCUMBSA-N 1 3 222.376 1.964 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCCN2)cc1 ZINC000178219171 134305123 /nfs/dbraw/zinc/30/51/23/134305123.db2.gz QHDVBNCFAPSIGJ-MFKMUULPSA-N 1 3 247.342 1.787 20 0 BDADHO CC[C@](C)(CCO)[NH2+]C[C@@H]1CCCNC1 ZINC000220390266 134306592 /nfs/dbraw/zinc/30/65/92/134306592.db2.gz LAHGVJFWPFSMAO-VXGBXAGGSA-N 1 3 214.353 1.127 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220958116 134315245 /nfs/dbraw/zinc/31/52/45/134315245.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220958116 134315246 /nfs/dbraw/zinc/31/52/46/134315246.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220958116 134315247 /nfs/dbraw/zinc/31/52/47/134315247.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220958116 134315248 /nfs/dbraw/zinc/31/52/48/134315248.db2.gz MQCHQAIYIHSWMU-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](CO)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222534848 134332639 /nfs/dbraw/zinc/33/26/39/134332639.db2.gz BFEBXNJHRLCPOD-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000222534848 134332640 /nfs/dbraw/zinc/33/26/40/134332640.db2.gz BFEBXNJHRLCPOD-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000222534848 134332641 /nfs/dbraw/zinc/33/26/41/134332641.db2.gz BFEBXNJHRLCPOD-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183871902 134356852 /nfs/dbraw/zinc/35/68/52/134356852.db2.gz CTQWRCHOOQOOKN-PSEXLTFBSA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183871902 134356853 /nfs/dbraw/zinc/35/68/53/134356853.db2.gz CTQWRCHOOQOOKN-PSEXLTFBSA-N 1 3 226.364 1.362 20 0 BDADHO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000227376134 134379268 /nfs/dbraw/zinc/37/92/68/134379268.db2.gz HIGJHFSPJYXSPD-NWDGAFQWSA-N 1 3 249.358 1.668 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000230483907 134506113 /nfs/dbraw/zinc/50/61/13/134506113.db2.gz DBAZOTKVHURXEQ-FPMFFAJLSA-N 1 3 242.407 1.904 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248409767 135006965 /nfs/dbraw/zinc/00/69/65/135006965.db2.gz CUHKNBTVCKJBTK-UPJWGTAASA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000248409767 135006966 /nfs/dbraw/zinc/00/69/66/135006966.db2.gz CUHKNBTVCKJBTK-UPJWGTAASA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248409767 135006969 /nfs/dbraw/zinc/00/69/69/135006969.db2.gz CUHKNBTVCKJBTK-UPJWGTAASA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248409767 135006972 /nfs/dbraw/zinc/00/69/72/135006972.db2.gz CUHKNBTVCKJBTK-UPJWGTAASA-N 1 3 226.364 1.437 20 0 BDADHO CCN(C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250087512 135049495 /nfs/dbraw/zinc/04/94/95/135049495.db2.gz VYFCIXVTBBAKCF-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO CCN(C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250087512 135049496 /nfs/dbraw/zinc/04/94/96/135049496.db2.gz VYFCIXVTBBAKCF-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO Cc1nccn1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250842331 135059957 /nfs/dbraw/zinc/05/99/57/135059957.db2.gz VMIRXLGNDBKONX-KGLIPLIRSA-N 1 3 248.374 1.408 20 0 BDADHO Cc1nccn1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842331 135059959 /nfs/dbraw/zinc/05/99/59/135059959.db2.gz VMIRXLGNDBKONX-KGLIPLIRSA-N 1 3 248.374 1.408 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251177960 135065045 /nfs/dbraw/zinc/06/50/45/135065045.db2.gz GPGGIUXHDOHASW-MROQNXINSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)[C@@H]1CCOC1 ZINC000252709510 135099076 /nfs/dbraw/zinc/09/90/76/135099076.db2.gz DBNRQVQADPTEBZ-DGAVXFQQSA-N 1 3 238.375 1.628 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252741070 135105481 /nfs/dbraw/zinc/10/54/81/135105481.db2.gz KSEZDVZKHZGETA-ZIHBUVQPSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000252741070 135105482 /nfs/dbraw/zinc/10/54/82/135105482.db2.gz KSEZDVZKHZGETA-ZIHBUVQPSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@]1(CNC[C@]2(C)CC[NH2+]C2)CCCO1 ZINC000087255595 135115542 /nfs/dbraw/zinc/11/55/42/135115542.db2.gz RVNBPJFBTPZFFR-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO CC[C@H](CCO)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253018405 135119419 /nfs/dbraw/zinc/11/94/19/135119419.db2.gz IMPKYDGEUWTFCP-XJFOESAGSA-N 1 3 240.391 1.658 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000253014087 135119588 /nfs/dbraw/zinc/11/95/88/135119588.db2.gz FSTVYYBAOIGCSS-SDDRHHMPSA-N 1 3 214.353 1.255 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253200553 135124580 /nfs/dbraw/zinc/12/45/80/135124580.db2.gz XCDVJGXIZSTOCN-GRYCIOLGSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253200553 135124582 /nfs/dbraw/zinc/12/45/82/135124582.db2.gz XCDVJGXIZSTOCN-GRYCIOLGSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253200553 135124583 /nfs/dbraw/zinc/12/45/83/135124583.db2.gz XCDVJGXIZSTOCN-GRYCIOLGSA-N 1 3 214.353 1.328 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257690058 135139460 /nfs/dbraw/zinc/13/94/60/135139460.db2.gz NGIGEZZJLVCONO-UHFFFAOYSA-N 1 3 248.374 1.602 20 0 BDADHO C(C1CCOCC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257707136 135139951 /nfs/dbraw/zinc/13/99/51/135139951.db2.gz RNTXQRSDGFZWQC-CQSZACIVSA-N 1 3 238.375 1.489 20 0 BDADHO C(C1CCOCC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257707136 135139952 /nfs/dbraw/zinc/13/99/52/135139952.db2.gz RNTXQRSDGFZWQC-CQSZACIVSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257713850 135141048 /nfs/dbraw/zinc/14/10/48/135141048.db2.gz UGRRRVTWYZXGQE-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257713850 135141049 /nfs/dbraw/zinc/14/10/49/135141049.db2.gz UGRRRVTWYZXGQE-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO N[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527802 135153074 /nfs/dbraw/zinc/15/30/74/135153074.db2.gz HIAGPPAMAFRAHG-NXEZZACHSA-N 1 3 200.351 1.163 20 0 BDADHO N[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527802 135153075 /nfs/dbraw/zinc/15/30/75/135153075.db2.gz HIAGPPAMAFRAHG-NXEZZACHSA-N 1 3 200.351 1.163 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3ccsc3)C[C@H]12 ZINC000261531458 135159746 /nfs/dbraw/zinc/15/97/46/135159746.db2.gz GOSNKUFOSOYWGI-SDDRHHMPSA-N 1 3 222.357 1.917 20 0 BDADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000087646255 135161137 /nfs/dbraw/zinc/16/11/37/135161137.db2.gz TZMGSMIXXJDWHF-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1CCCO1 ZINC000087646255 135161139 /nfs/dbraw/zinc/16/11/39/135161139.db2.gz TZMGSMIXXJDWHF-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261532134 135162367 /nfs/dbraw/zinc/16/23/67/135162367.db2.gz JHCGBMNTONWLLS-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@H]1N ZINC000261532134 135162368 /nfs/dbraw/zinc/16/23/68/135162368.db2.gz JHCGBMNTONWLLS-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@H]1N ZINC000261532134 135162370 /nfs/dbraw/zinc/16/23/70/135162370.db2.gz JHCGBMNTONWLLS-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@H](C)OC[C@H]2C)CC[NH2+]1 ZINC000261535034 135168421 /nfs/dbraw/zinc/16/84/21/135168421.db2.gz VZHXFYDLZVSCJQ-FVCCEPFGSA-N 1 3 226.364 1.484 20 0 BDADHO COCC(C)(C)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261538045 135175423 /nfs/dbraw/zinc/17/54/23/135175423.db2.gz XGSBIOFQTSSAKU-QWRGUYRKSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000261538045 135175424 /nfs/dbraw/zinc/17/54/24/135175424.db2.gz XGSBIOFQTSSAKU-QWRGUYRKSA-N 1 3 214.353 1.328 20 0 BDADHO CN(CC[C@@H]1CCOC1)C1CC[NH2+]CC1 ZINC000261540816 135180407 /nfs/dbraw/zinc/18/04/07/135180407.db2.gz FHHOLLNZXRDQSG-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO Cc1cnn(CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000261549018 135187558 /nfs/dbraw/zinc/18/75/58/135187558.db2.gz KDHIASSEWPTDNB-CHWSQXEVSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1ncsc1CN1CCC(C[NH3+])CC1 ZINC000084149506 135188343 /nfs/dbraw/zinc/18/83/43/135188343.db2.gz UHEBLLBPCSTBIS-UHFFFAOYSA-N 1 3 225.361 1.622 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000261551598 135190705 /nfs/dbraw/zinc/19/07/05/135190705.db2.gz MIHSMHJSPLWEJH-GUBZILKMSA-N 1 3 236.315 1.802 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cccnc1 ZINC000084193922 135191236 /nfs/dbraw/zinc/19/12/36/135191236.db2.gz SUSLHZBVOQSJOM-RYUDHWBXSA-N 1 3 205.305 1.299 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216620 135192841 /nfs/dbraw/zinc/19/28/41/135192841.db2.gz HMSPJKQFWJVXSM-IJLUTSLNSA-N 1 3 214.353 1.376 20 0 BDADHO CCC1(C[N@@H+]2CC[C@H](N)[C@H](C)C2)CCOCC1 ZINC000261553253 135192980 /nfs/dbraw/zinc/19/29/80/135192980.db2.gz NRAOLTIZDGRUQR-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@H](N)[C@H](C)C2)CCOCC1 ZINC000261553253 135192981 /nfs/dbraw/zinc/19/29/81/135192981.db2.gz NRAOLTIZDGRUQR-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(CN2CC[C@H]([NH3+])[C@H](C)C2)CCOCC1 ZINC000261553253 135192983 /nfs/dbraw/zinc/19/29/83/135192983.db2.gz NRAOLTIZDGRUQR-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3cccnc3)C[C@@H]12 ZINC000261553891 135193461 /nfs/dbraw/zinc/19/34/61/135193461.db2.gz OKVXLMATTDHKSP-BFHYXJOUSA-N 1 3 231.343 1.293 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000261564135 135206038 /nfs/dbraw/zinc/20/60/38/135206038.db2.gz XNCGGGYEBSGQIF-FQUUOJAGSA-N 1 3 240.391 1.645 20 0 BDADHO COc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261564282 135206289 /nfs/dbraw/zinc/20/62/89/135206289.db2.gz HDYDETJVXIPETM-CFVMTHIKSA-N 1 3 246.354 1.864 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CCC1 ZINC000261565080 135206793 /nfs/dbraw/zinc/20/67/93/135206793.db2.gz YESHHEZOPFKLMZ-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000261583826 135225128 /nfs/dbraw/zinc/22/51/28/135225128.db2.gz PGLWWNBZONPZTA-WXHSDQCUSA-N 1 3 226.364 1.255 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1CCc2ccccc2C1 ZINC000261587652 135228751 /nfs/dbraw/zinc/22/87/51/135228751.db2.gz RXOHAPUIKWALKT-CYBMUJFWSA-N 1 3 218.344 1.871 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCOCC(F)F ZINC000261593086 135233535 /nfs/dbraw/zinc/23/35/35/135233535.db2.gz WLQRRPFECOSFCF-VIFPVBQESA-N 1 3 236.306 1.246 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCOCC(F)F ZINC000261593086 135233536 /nfs/dbraw/zinc/23/35/36/135233536.db2.gz WLQRRPFECOSFCF-VIFPVBQESA-N 1 3 236.306 1.246 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000261547456 135240065 /nfs/dbraw/zinc/24/00/65/135240065.db2.gz ICVYYPDXWJUJMP-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO COCC(C)(C)CN1CC[C@](C)(C[NH3+])C1 ZINC000261547157 135240491 /nfs/dbraw/zinc/24/04/91/135240491.db2.gz LYIHMQSUQGBYHF-GFCCVEGCSA-N 1 3 214.353 1.330 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H](C)CN1C ZINC000261654259 135243016 /nfs/dbraw/zinc/24/30/16/135243016.db2.gz BGTBJKWNSHSIJM-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO CC[C@]1(CO)CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261684111 135245960 /nfs/dbraw/zinc/24/59/60/135245960.db2.gz AFCQOLYDOUUFKG-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCc1cccc(N)c1 ZINC000261740675 135249196 /nfs/dbraw/zinc/24/91/96/135249196.db2.gz UYSQVJFZDKDZRE-CYBMUJFWSA-N 1 3 221.348 1.732 20 0 BDADHO CCC[C@@]1(CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261811345 135254374 /nfs/dbraw/zinc/25/43/74/135254374.db2.gz HRIHHOKRPPIRET-KGLIPLIRSA-N 1 3 240.391 1.613 20 0 BDADHO CCC[C@@]1(CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261811345 135254376 /nfs/dbraw/zinc/25/43/76/135254376.db2.gz HRIHHOKRPPIRET-KGLIPLIRSA-N 1 3 240.391 1.613 20 0 BDADHO COC[C@H]1CCCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261825207 135255813 /nfs/dbraw/zinc/25/58/13/135255813.db2.gz IPVDXDZERZZACS-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@H]1CCCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261825207 135255815 /nfs/dbraw/zinc/25/58/15/135255815.db2.gz IPVDXDZERZZACS-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261970200 135267977 /nfs/dbraw/zinc/26/79/77/135267977.db2.gz QGHKHBFPSHSYNK-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261970200 135267978 /nfs/dbraw/zinc/26/79/78/135267978.db2.gz QGHKHBFPSHSYNK-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](C)CN(C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000261975263 135268648 /nfs/dbraw/zinc/26/86/48/135268648.db2.gz IQXHNQIBHBGQPG-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@@H](C)CN(C[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000261975268 135269156 /nfs/dbraw/zinc/26/91/56/135269156.db2.gz IQXHNQIBHBGQPG-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](O)C[C@@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262100132 135278480 /nfs/dbraw/zinc/27/84/80/135278480.db2.gz VMROVTRTOHFYGP-AVGNSLFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)C[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262100135 135278638 /nfs/dbraw/zinc/27/86/38/135278638.db2.gz VMROVTRTOHFYGP-YNEHKIRRSA-N 1 3 226.364 1.221 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H](C2CC2)C1 ZINC000262121902 135280548 /nfs/dbraw/zinc/28/05/48/135280548.db2.gz MDJBJVZKYSSVIB-AAVRWANBSA-N 1 3 238.375 1.125 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000262121902 135280549 /nfs/dbraw/zinc/28/05/49/135280549.db2.gz MDJBJVZKYSSVIB-AAVRWANBSA-N 1 3 238.375 1.125 20 0 BDADHO CCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262441384 135299430 /nfs/dbraw/zinc/29/94/30/135299430.db2.gz NHXSAEYHHMFSMJ-RYUDHWBXSA-N 1 3 241.379 1.138 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000342607391 135302500 /nfs/dbraw/zinc/30/25/00/135302500.db2.gz RWAMHLBMILFIKC-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342607391 135302502 /nfs/dbraw/zinc/30/25/02/135302502.db2.gz RWAMHLBMILFIKC-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1COCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000334370663 135375535 /nfs/dbraw/zinc/37/55/35/135375535.db2.gz PANMSGXEJFWNRP-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1COCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000334370663 135375537 /nfs/dbraw/zinc/37/55/37/135375537.db2.gz PANMSGXEJFWNRP-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000348185648 136044280 /nfs/dbraw/zinc/04/42/80/136044280.db2.gz QGSOOUUZVCNUDB-VPOLOUISSA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000348185648 136044281 /nfs/dbraw/zinc/04/42/81/136044281.db2.gz QGSOOUUZVCNUDB-VPOLOUISSA-N 1 3 232.318 1.960 20 0 BDADHO F[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000335386120 136088956 /nfs/dbraw/zinc/08/89/56/136088956.db2.gz MZXYFYWKPNEAIU-MWLCHTKSSA-N 1 3 200.301 1.609 20 0 BDADHO CC(C)[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000335394291 136091789 /nfs/dbraw/zinc/09/17/89/136091789.db2.gz GTAOYFJGFKCWQM-LLVKDONJSA-N 1 3 212.337 1.082 20 0 BDADHO CC(C)[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000335394291 136091790 /nfs/dbraw/zinc/09/17/90/136091790.db2.gz GTAOYFJGFKCWQM-LLVKDONJSA-N 1 3 212.337 1.082 20 0 BDADHO NC[C@@H]1C[N@H+](CC2CCC2)CC12CCOCC2 ZINC000335394923 136092174 /nfs/dbraw/zinc/09/21/74/136092174.db2.gz HEBFPDXLJHISDM-CYBMUJFWSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@@H]1C[N@@H+](CC2CCC2)CC12CCOCC2 ZINC000335394923 136092175 /nfs/dbraw/zinc/09/21/75/136092175.db2.gz HEBFPDXLJHISDM-CYBMUJFWSA-N 1 3 238.375 1.474 20 0 BDADHO CC(C)[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CCS1 ZINC000390756814 397900800 /nfs/dbraw/zinc/90/08/00/397900800.db2.gz IIYBACMEANFYOM-NEPJUHHUSA-N 1 3 228.405 1.669 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CCC12CCOCC2 ZINC000564823287 398045774 /nfs/dbraw/zinc/04/57/74/398045774.db2.gz ZHMNJDVGGSMPPP-ZDUSSCGKSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)NCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000564823287 398045776 /nfs/dbraw/zinc/04/57/76/398045776.db2.gz ZHMNJDVGGSMPPP-ZDUSSCGKSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)CC[C@H]1C ZINC000414690015 398019593 /nfs/dbraw/zinc/01/95/93/398019593.db2.gz HFLVHVMSLWPQMG-CHWSQXEVSA-N 1 3 227.396 1.386 20 0 BDADHO [O-]c1cc(F)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414829590 398050565 /nfs/dbraw/zinc/05/05/65/398050565.db2.gz LDEQNFHVPKPGNX-SNVBAGLBSA-N 1 3 238.306 1.621 20 0 BDADHO [NH3+][C@@H]1CCN(c2ccnc3ccccc32)C1 ZINC000050244314 397970459 /nfs/dbraw/zinc/97/04/59/397970459.db2.gz LZFUHIFWKHKVCY-SNVBAGLBSA-N 1 3 213.284 1.772 20 0 BDADHO COCc1ccc(CN2CCC(C[NH3+])CC2)o1 ZINC000382798906 397978879 /nfs/dbraw/zinc/97/88/79/397978879.db2.gz YWUCDEMTVUZUGW-UHFFFAOYSA-N 1 3 238.331 1.597 20 0 BDADHO [O-]c1cc(F)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414829589 398050978 /nfs/dbraw/zinc/05/09/78/398050978.db2.gz LDEQNFHVPKPGNX-JTQLQIEISA-N 1 3 238.306 1.621 20 0 BDADHO CC(C)OCCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000336755199 167215545 /nfs/dbraw/zinc/21/55/45/167215545.db2.gz XOEAUCIAGXASMI-VXGBXAGGSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)[C@H](C)C1 ZINC000393734081 487578565 /nfs/dbraw/zinc/57/85/65/487578565.db2.gz ADGDNNDJXJZZFX-FRRDWIJNSA-N 1 3 228.380 1.275 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](C)[C@H](C)C1 ZINC000393734081 487578569 /nfs/dbraw/zinc/57/85/69/487578569.db2.gz ADGDNNDJXJZZFX-FRRDWIJNSA-N 1 3 228.380 1.275 20 0 BDADHO CCC(C)(C)[C@H](C)[NH2+]CCOCCN(C)C ZINC000556455299 322913163 /nfs/dbraw/zinc/91/31/63/322913163.db2.gz NGMZKNBNOOICMK-LBPRGKRZSA-N 1 3 230.396 1.979 20 0 BDADHO CCC[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662249535 409548261 /nfs/dbraw/zinc/54/82/61/409548261.db2.gz WLDCPLZGJNNMKZ-LLVKDONJSA-N 1 3 212.337 1.239 20 0 BDADHO CCC[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662249535 409548267 /nfs/dbraw/zinc/54/82/67/409548267.db2.gz WLDCPLZGJNNMKZ-LLVKDONJSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255577 409551981 /nfs/dbraw/zinc/55/19/81/409551981.db2.gz FCNKCJWNJKJXFH-UTUOFQBUSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255577 409551990 /nfs/dbraw/zinc/55/19/90/409551990.db2.gz FCNKCJWNJKJXFH-UTUOFQBUSA-N 1 3 224.348 1.238 20 0 BDADHO CN(CC[C@H]1CCc2ccccc21)C[C@H](O)C[NH3+] ZINC000662276528 409588779 /nfs/dbraw/zinc/58/87/79/409588779.db2.gz JTKPAWSVUGXLLS-ZIAGYGMSSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@H+](CC[C@H]1CCc2ccccc21)C[C@H](O)CN ZINC000662276528 409588785 /nfs/dbraw/zinc/58/87/85/409588785.db2.gz JTKPAWSVUGXLLS-ZIAGYGMSSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@H](O)CN ZINC000662276528 409588789 /nfs/dbraw/zinc/58/87/89/409588789.db2.gz JTKPAWSVUGXLLS-ZIAGYGMSSA-N 1 3 248.370 1.358 20 0 BDADHO CCc1nc(CNCCC2(C[NH3+])CC2)cs1 ZINC000650712508 410341554 /nfs/dbraw/zinc/34/15/54/410341554.db2.gz GZGZPOZSUJFRSY-UHFFFAOYSA-N 1 3 239.388 1.924 20 0 BDADHO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]CC(C)(C)N ZINC000650725185 410363478 /nfs/dbraw/zinc/36/34/78/410363478.db2.gz VCWDZJZSURRNHS-NSHDSACASA-N 1 3 249.358 1.090 20 0 BDADHO C[C@H](NCCC1CC[NH2+]CC1)c1cnccn1 ZINC000650764025 410413950 /nfs/dbraw/zinc/41/39/50/410413950.db2.gz OOQLIIJDQHWEQD-NSHDSACASA-N 1 3 234.347 1.517 20 0 BDADHO CCCCN(CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309235224 410538175 /nfs/dbraw/zinc/53/81/75/410538175.db2.gz JJLLMNPQWJKLJA-ZDUSSCGKSA-N 1 3 230.396 1.810 20 0 BDADHO CCCCN(CC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309235224 410538179 /nfs/dbraw/zinc/53/81/79/410538179.db2.gz JJLLMNPQWJKLJA-ZDUSSCGKSA-N 1 3 230.396 1.810 20 0 BDADHO CC(C)OCCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368318922 167215716 /nfs/dbraw/zinc/21/57/16/167215716.db2.gz UTVGBWLMBWXIMY-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)OCCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368318922 167215717 /nfs/dbraw/zinc/21/57/17/167215717.db2.gz UTVGBWLMBWXIMY-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)OCCN1CCC[C@@H](C[NH3+])C1 ZINC000049259812 167232209 /nfs/dbraw/zinc/23/22/09/167232209.db2.gz GBFSSSDUCVTQMJ-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO CC[NH+](CC)C[C@H](C)NC(=O)C1(N)CCCC1 ZINC000041680116 410934627 /nfs/dbraw/zinc/93/46/27/410934627.db2.gz KQTCZDDCTIDAGS-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000651865784 411147992 /nfs/dbraw/zinc/14/79/92/411147992.db2.gz HMZWRVZMIUVIKS-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000651865782 411148195 /nfs/dbraw/zinc/14/81/95/411148195.db2.gz HMZWRVZMIUVIKS-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO CN[C@@H](C)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000655608696 411177097 /nfs/dbraw/zinc/17/70/97/411177097.db2.gz GBHPSYAIEZZHOT-LBPRGKRZSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]1CCC[NH2+]C1 ZINC000656193852 411199905 /nfs/dbraw/zinc/19/99/05/411199905.db2.gz VZDFAROOTULMAL-CHWSQXEVSA-N 1 3 233.359 1.602 20 0 BDADHO Cc1cnc(CCN[C@@H](C)C[C@@H](C)[NH3+])c(C)c1 ZINC000656199656 411203274 /nfs/dbraw/zinc/20/32/74/411203274.db2.gz ACQOSOHBIYDALO-OLZOCXBDSA-N 1 3 235.375 1.956 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H](C)C[C@@H](C)N)c(C)c1 ZINC000656199656 411203275 /nfs/dbraw/zinc/20/32/75/411203275.db2.gz ACQOSOHBIYDALO-OLZOCXBDSA-N 1 3 235.375 1.956 20 0 BDADHO C[C@@H]1CCCN(Cc2ccnc(N)c2)[C@@H]1CC[NH3+] ZINC000652355989 411215163 /nfs/dbraw/zinc/21/51/63/411215163.db2.gz ORGBXZSNNQZVMK-DGCLKSJQSA-N 1 3 248.374 1.443 20 0 BDADHO CCCCC[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077339237 411217758 /nfs/dbraw/zinc/21/77/58/411217758.db2.gz KATHWTALTUWKNT-CYBMUJFWSA-N 1 3 225.380 1.156 20 0 BDADHO CCCCC[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077339237 411217765 /nfs/dbraw/zinc/21/77/65/411217765.db2.gz KATHWTALTUWKNT-CYBMUJFWSA-N 1 3 225.380 1.156 20 0 BDADHO C([NH2+]C(C1CC1)C1CC1)[C@H]1CCCNC1 ZINC000049237841 411228835 /nfs/dbraw/zinc/22/88/35/411228835.db2.gz LRPDJNUEOZPPRV-JTQLQIEISA-N 1 3 208.349 1.764 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423173683 411236783 /nfs/dbraw/zinc/23/67/83/411236783.db2.gz ZRWBRBADOTYIKG-YTWAJWBKSA-N 1 3 200.326 1.269 20 0 BDADHO CCCCOCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000310549873 411240718 /nfs/dbraw/zinc/24/07/18/411240718.db2.gz WAONMDJUIXNBNV-KBPBESRZSA-N 1 3 240.391 1.864 20 0 BDADHO CCCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000310549873 411240722 /nfs/dbraw/zinc/24/07/22/411240722.db2.gz WAONMDJUIXNBNV-KBPBESRZSA-N 1 3 240.391 1.864 20 0 BDADHO CCCCOCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000310549873 411240726 /nfs/dbraw/zinc/24/07/26/411240726.db2.gz WAONMDJUIXNBNV-KBPBESRZSA-N 1 3 240.391 1.864 20 0 BDADHO CCN1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000050952452 411269879 /nfs/dbraw/zinc/26/98/79/411269879.db2.gz XYBFSDSXKMOJHE-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO C[NH+](C)C1CCN(CC2CC=CC2)CC1 ZINC000659839104 411320806 /nfs/dbraw/zinc/32/08/06/411320806.db2.gz RTUUZRIHNNYLIS-UHFFFAOYSA-N 1 3 208.349 1.979 20 0 BDADHO [NH3+]CCCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656792155 411372820 /nfs/dbraw/zinc/37/28/20/411372820.db2.gz OOMZNBCICUNZAE-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656792155 411372826 /nfs/dbraw/zinc/37/28/26/411372826.db2.gz OOMZNBCICUNZAE-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000656792155 411372827 /nfs/dbraw/zinc/37/28/27/411372827.db2.gz OOMZNBCICUNZAE-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO O[C@@H]1CCN(C2CC[NH+](CCCCF)CC2)C1 ZINC000662152204 411367190 /nfs/dbraw/zinc/36/71/90/411367190.db2.gz QWCIAGARRKIUHM-CYBMUJFWSA-N 1 3 244.354 1.267 20 0 BDADHO COC(=O)CCCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123476241 411367484 /nfs/dbraw/zinc/36/74/84/411367484.db2.gz SOWHDSMDMCUKSM-NEPJUHHUSA-N 1 3 242.363 1.354 20 0 BDADHO COC(=O)CCCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123476241 411367488 /nfs/dbraw/zinc/36/74/88/411367488.db2.gz SOWHDSMDMCUKSM-NEPJUHHUSA-N 1 3 242.363 1.354 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CNCCCC1CCC1 ZINC000656709978 411336105 /nfs/dbraw/zinc/33/61/05/411336105.db2.gz GHEWPIHFUPIGET-AWEZNQCLSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CNCCCC1CCC1 ZINC000656709978 411336107 /nfs/dbraw/zinc/33/61/07/411336107.db2.gz GHEWPIHFUPIGET-AWEZNQCLSA-N 1 3 242.407 1.857 20 0 BDADHO C[N@H+](C[C@H](O)CNC[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711500 411336946 /nfs/dbraw/zinc/33/69/46/411336946.db2.gz STXQZEUCGSDJGG-GHMZBOCLSA-N 1 3 248.317 1.076 20 0 BDADHO C[N@@H+](C[C@H](O)CNC[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711500 411336949 /nfs/dbraw/zinc/33/69/49/411336949.db2.gz STXQZEUCGSDJGG-GHMZBOCLSA-N 1 3 248.317 1.076 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@H+](CCc1cn[nH]c1)C2 ZINC000660661748 411375360 /nfs/dbraw/zinc/37/53/60/411375360.db2.gz FYWJYJWMRBHSBO-CQSZACIVSA-N 1 3 248.374 1.370 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1cn[nH]c1)C2 ZINC000660661748 411375363 /nfs/dbraw/zinc/37/53/63/411375363.db2.gz FYWJYJWMRBHSBO-CQSZACIVSA-N 1 3 248.374 1.370 20 0 BDADHO CCC[C@@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661547 411375558 /nfs/dbraw/zinc/37/55/58/411375558.db2.gz DGSIAXBETKWCKT-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661547 411375560 /nfs/dbraw/zinc/37/55/60/411375560.db2.gz DGSIAXBETKWCKT-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125483769 411376376 /nfs/dbraw/zinc/37/63/76/411376376.db2.gz ZMTOCHQXWOPZSZ-OLZOCXBDSA-N 1 3 240.391 1.646 20 0 BDADHO CO[C@H](CN1CC[C@@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927425 411383991 /nfs/dbraw/zinc/38/39/91/411383991.db2.gz QKIRUHTVPFPIDK-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@H](CN1CC[C@H](C[NH+](C)C)C1)C1CCC1 ZINC000659927437 411384018 /nfs/dbraw/zinc/38/40/18/411384018.db2.gz QKIRUHTVPFPIDK-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CC[C@H]1C[C@H]([NH2+]CCCN(C)C(C)C)CO1 ZINC000657305978 411458659 /nfs/dbraw/zinc/45/86/59/411458659.db2.gz WNUKFRYWAQZTLN-STQMWFEESA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H]1CCCN(CCn2cccn2)[C@@H]1CC[NH3+] ZINC000404384491 411392881 /nfs/dbraw/zinc/39/28/81/411392881.db2.gz NQLORVYCEKHICK-QWHCGFSZSA-N 1 3 236.363 1.332 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404491667 411399062 /nfs/dbraw/zinc/39/90/62/411399062.db2.gz BGEWAIGNIFYKKZ-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404491667 411399063 /nfs/dbraw/zinc/39/90/63/411399063.db2.gz BGEWAIGNIFYKKZ-UPJWGTAASA-N 1 3 228.380 1.718 20 0 BDADHO [NH3+]CCOCCN1CCC2(CC2(F)F)CC1 ZINC000405071451 411415991 /nfs/dbraw/zinc/41/59/91/411415991.db2.gz WVROSZQLTTZHKT-UHFFFAOYSA-N 1 3 234.290 1.083 20 0 BDADHO CCO[C@@H]1C[N@@H+]([C@H](C)CC)C[C@H]1CN ZINC000405593241 411435330 /nfs/dbraw/zinc/43/53/30/411435330.db2.gz NHRZSIBUICIUJY-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO CCO[C@@H]1C[N@H+]([C@H](C)CC)C[C@H]1CN ZINC000405593241 411435332 /nfs/dbraw/zinc/43/53/32/411435332.db2.gz NHRZSIBUICIUJY-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO CCO[C@@H]1CN([C@H](C)CC)C[C@H]1C[NH3+] ZINC000405593241 411435335 /nfs/dbraw/zinc/43/53/35/411435335.db2.gz NHRZSIBUICIUJY-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO CC1([NH3+])CCN(C[C@@H]2CCSC2)CC1 ZINC000306292866 411442550 /nfs/dbraw/zinc/44/25/50/411442550.db2.gz WGJJQHPABAWMRL-JTQLQIEISA-N 1 3 214.378 1.553 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CO1 ZINC000657295703 411454325 /nfs/dbraw/zinc/45/43/25/411454325.db2.gz JRDJXCXRVRHRIL-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@@H]1C[C@@H](NCCC[NH+]2CCCC2)CO1 ZINC000657295703 411454328 /nfs/dbraw/zinc/45/43/28/411454328.db2.gz JRDJXCXRVRHRIL-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)C[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000307846068 411486919 /nfs/dbraw/zinc/48/69/19/411486919.db2.gz QVBRORXLJGKIGA-STQMWFEESA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H](NCCC[NH3+])[C@@H]1COc2ccccc21 ZINC000415088251 411491657 /nfs/dbraw/zinc/49/16/57/411491657.db2.gz VYJATYOEKRCNIY-JQWIXIFHSA-N 1 3 220.316 1.490 20 0 BDADHO C[C@H]([NH2+]CCCN)[C@@H]1COc2ccccc21 ZINC000415088251 411491660 /nfs/dbraw/zinc/49/16/60/411491660.db2.gz VYJATYOEKRCNIY-JQWIXIFHSA-N 1 3 220.316 1.490 20 0 BDADHO Cc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nc1 ZINC000655827267 411529952 /nfs/dbraw/zinc/52/99/52/411529952.db2.gz PJQDJSDYFYALME-XBXGTLAGSA-N 1 3 233.359 1.820 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000300921370 170017463 /nfs/dbraw/zinc/01/74/63/170017463.db2.gz DWMRCSBSGGDQPJ-VXGBXAGGSA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOCC2CC2)[C@H](C)C1 ZINC000358078801 170020392 /nfs/dbraw/zinc/02/03/92/170020392.db2.gz DKAOYPZVBUKNAP-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOCC2CC2)[C@H](C)C1 ZINC000358078801 170020393 /nfs/dbraw/zinc/02/03/93/170020393.db2.gz DKAOYPZVBUKNAP-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO OC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559776 411550937 /nfs/dbraw/zinc/55/09/37/411550937.db2.gz QSRDEZGBZBLGKI-RDBSUJKOSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000657559776 411550938 /nfs/dbraw/zinc/55/09/38/411550938.db2.gz QSRDEZGBZBLGKI-RDBSUJKOSA-N 1 3 238.375 1.364 20 0 BDADHO CCOCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000120001970 170374885 /nfs/dbraw/zinc/37/48/85/170374885.db2.gz SPQJQGPXDYEWAX-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO CCOCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000336683148 170375376 /nfs/dbraw/zinc/37/53/76/170375376.db2.gz SMYNXSGOLMLQMH-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCOCCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000336683148 170375377 /nfs/dbraw/zinc/37/53/77/170375377.db2.gz SMYNXSGOLMLQMH-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCN1CCC[N@H+](C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000660790035 411632210 /nfs/dbraw/zinc/63/22/10/411632210.db2.gz TYIATRZBMVTPFJ-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCC[N@@H+](C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000660790035 411632214 /nfs/dbraw/zinc/63/22/14/411632214.db2.gz TYIATRZBMVTPFJ-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO c1n[nH]cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657811820 411603422 /nfs/dbraw/zinc/60/34/22/411603422.db2.gz HYAKKMBVYAXWAM-UHFFFAOYSA-N 1 3 248.374 1.621 20 0 BDADHO COCCCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659799 411614031 /nfs/dbraw/zinc/61/40/31/411614031.db2.gz RIJTUUWEPTZYES-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659799 411614033 /nfs/dbraw/zinc/61/40/33/411614033.db2.gz RIJTUUWEPTZYES-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO COCCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656756 411614536 /nfs/dbraw/zinc/61/45/36/411614536.db2.gz XLQSOSTYFBEZFK-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO COCCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656756 411614537 /nfs/dbraw/zinc/61/45/37/411614537.db2.gz XLQSOSTYFBEZFK-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000663497109 411679948 /nfs/dbraw/zinc/67/99/48/411679948.db2.gz BUWNUDUPQHBDSA-DKNRTOFZSA-N 1 3 238.375 1.532 20 0 BDADHO COC1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663499039 411680966 /nfs/dbraw/zinc/68/09/66/411680966.db2.gz VNPMZURTIKVZRF-UHFFFAOYSA-N 1 3 224.348 1.286 20 0 BDADHO COC1CCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000663499039 411680970 /nfs/dbraw/zinc/68/09/70/411680970.db2.gz VNPMZURTIKVZRF-UHFFFAOYSA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCO[C@@H]1C ZINC000663500709 411683579 /nfs/dbraw/zinc/68/35/79/411683579.db2.gz UCEKKVMLPWJALY-GMTAPVOTSA-N 1 3 200.326 1.127 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCCOCC1 ZINC000663502692 411686487 /nfs/dbraw/zinc/68/64/87/411686487.db2.gz KALZLQCGIANJBJ-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H]1CN(c2nccc3[nH]ccc32)C[C@H]1[NH+](C)C ZINC000663709296 411729774 /nfs/dbraw/zinc/72/97/74/411729774.db2.gz OPLSRUMGBGLING-GXFFZTMASA-N 1 3 244.342 1.949 20 0 BDADHO CCSCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000226422335 170633797 /nfs/dbraw/zinc/63/37/97/170633797.db2.gz AKWSTVFHFIXRPW-UWVGGRQHSA-N 1 3 202.367 1.409 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@@H](N)C1)C1CCCCC1 ZINC000662240795 412037197 /nfs/dbraw/zinc/03/71/97/412037197.db2.gz MXBFLHPEZFCVKV-OLZOCXBDSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@@H](N)C1)C1CCCCC1 ZINC000662240795 412037198 /nfs/dbraw/zinc/03/71/98/412037198.db2.gz MXBFLHPEZFCVKV-OLZOCXBDSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662248805 412046217 /nfs/dbraw/zinc/04/62/17/412046217.db2.gz DHTKSBWJVXGOJL-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662248805 412046220 /nfs/dbraw/zinc/04/62/20/412046220.db2.gz DHTKSBWJVXGOJL-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]([N@H+](C)C[C@@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253134 412048981 /nfs/dbraw/zinc/04/89/81/412048981.db2.gz WLSDUSCUYILEOF-RYUDHWBXSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H]([N@@H+](C)C[C@@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253134 412048984 /nfs/dbraw/zinc/04/89/84/412048984.db2.gz WLSDUSCUYILEOF-RYUDHWBXSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662254666 412050008 /nfs/dbraw/zinc/05/00/08/412050008.db2.gz SCQYDFNTPGUGDV-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662254666 412050010 /nfs/dbraw/zinc/05/00/10/412050010.db2.gz SCQYDFNTPGUGDV-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CC1(C)CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255890 412051766 /nfs/dbraw/zinc/05/17/66/412051766.db2.gz SEVMSAIDQRYGPU-NSHDSACASA-N 1 3 224.348 1.239 20 0 BDADHO CC1(C)CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255890 412051769 /nfs/dbraw/zinc/05/17/69/412051769.db2.gz SEVMSAIDQRYGPU-NSHDSACASA-N 1 3 224.348 1.239 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255414 412052113 /nfs/dbraw/zinc/05/21/13/412052113.db2.gz OZKKJVVAZYSICU-XQQFMLRXSA-N 1 3 236.359 1.524 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255414 412052115 /nfs/dbraw/zinc/05/21/15/412052115.db2.gz OZKKJVVAZYSICU-XQQFMLRXSA-N 1 3 236.359 1.524 20 0 BDADHO CO[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)C1CCC1 ZINC000662275547 412067275 /nfs/dbraw/zinc/06/72/75/412067275.db2.gz BVXAROKVTMWQGG-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](CN[C@@H]1CC[NH2+]CC1(C)C)C1CCC1 ZINC000662275547 412067278 /nfs/dbraw/zinc/06/72/78/412067278.db2.gz BVXAROKVTMWQGG-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](CN1CC[C@@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000662284606 412075140 /nfs/dbraw/zinc/07/51/40/412075140.db2.gz NTTILEGLYQYGFU-CYZMBNFOSA-N 1 3 226.364 1.613 20 0 BDADHO CC[C@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000336744318 171283927 /nfs/dbraw/zinc/28/39/27/171283927.db2.gz ZDKSDIHDWWQJGQ-NSHDSACASA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@H](C)C1 ZINC000662297029 412084854 /nfs/dbraw/zinc/08/48/54/412084854.db2.gz XXWOWBXOVQGASQ-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@H](C)C1 ZINC000662297029 412084860 /nfs/dbraw/zinc/08/48/60/412084860.db2.gz XXWOWBXOVQGASQ-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO CCc1nocc1CN1CCC(CC[NH3+])CC1 ZINC000662285062 412078165 /nfs/dbraw/zinc/07/81/65/412078165.db2.gz VPOWXVIUZRIIRK-UHFFFAOYSA-N 1 3 237.347 1.798 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@H](C)[C@H]1CCN)OC ZINC000662285423 412078592 /nfs/dbraw/zinc/07/85/92/412078592.db2.gz JJFNYFSUVPYCRL-RWMBFGLXSA-N 1 3 244.379 1.097 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@H](C)[C@H]1CCN)OC ZINC000662285423 412078595 /nfs/dbraw/zinc/07/85/95/412078595.db2.gz JJFNYFSUVPYCRL-RWMBFGLXSA-N 1 3 244.379 1.097 20 0 BDADHO CC[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638517 171347078 /nfs/dbraw/zinc/34/70/78/171347078.db2.gz XZYWYFMBFAXMOC-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO C[NH2+]CCCN1CCC[C@H](CCF)C1 ZINC000662311632 412094296 /nfs/dbraw/zinc/09/42/96/412094296.db2.gz VCLMSDPYQHMQCE-LLVKDONJSA-N 1 3 202.317 1.668 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000662311632 412094297 /nfs/dbraw/zinc/09/42/97/412094297.db2.gz VCLMSDPYQHMQCE-LLVKDONJSA-N 1 3 202.317 1.668 20 0 BDADHO CNCCC[N@H+]1CCC[C@H](CCF)C1 ZINC000662311632 412094299 /nfs/dbraw/zinc/09/42/99/412094299.db2.gz VCLMSDPYQHMQCE-LLVKDONJSA-N 1 3 202.317 1.668 20 0 BDADHO C[NH2+]CCCN1CC[C@@]2(C1)CCCOC2 ZINC000662316040 412096076 /nfs/dbraw/zinc/09/60/76/412096076.db2.gz VWUGIPSXDAATMS-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO CNCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316040 412096078 /nfs/dbraw/zinc/09/60/78/412096078.db2.gz VWUGIPSXDAATMS-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO CNCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316040 412096082 /nfs/dbraw/zinc/09/60/82/412096082.db2.gz VWUGIPSXDAATMS-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO CC[C@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321249 412101420 /nfs/dbraw/zinc/10/14/20/412101420.db2.gz ABDOHHFZIOJOOE-QWHCGFSZSA-N 1 3 228.380 1.828 20 0 BDADHO Nc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000665272940 412214426 /nfs/dbraw/zinc/21/44/26/412214426.db2.gz NUJMXLDEZHPHBN-GLQYFDAESA-N 1 3 245.370 1.973 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665272940 412214428 /nfs/dbraw/zinc/21/44/28/412214428.db2.gz NUJMXLDEZHPHBN-GLQYFDAESA-N 1 3 245.370 1.973 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665236632 412176378 /nfs/dbraw/zinc/17/63/78/412176378.db2.gz QXFRTRHUONGNBT-UPJWGTAASA-N 1 3 239.407 1.447 20 0 BDADHO Cc1ccncc1CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000665238692 412179173 /nfs/dbraw/zinc/17/91/73/412179173.db2.gz ALSLZMABALRQRI-UKRRQHHQSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000665238692 412179174 /nfs/dbraw/zinc/17/91/74/412179174.db2.gz ALSLZMABALRQRI-UKRRQHHQSA-N 1 3 247.386 1.910 20 0 BDADHO COCC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000665242224 412184827 /nfs/dbraw/zinc/18/48/27/412184827.db2.gz OVPFNSUURLNVGT-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665244880 412188689 /nfs/dbraw/zinc/18/86/89/412188689.db2.gz YTTYLMAJYFGYSP-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCCC1)[C@@H]1CCCO1 ZINC000665247977 412192239 /nfs/dbraw/zinc/19/22/39/412192239.db2.gz MXPNGGBNYFCZFZ-QWRGUYRKSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](NCC1([NH3+])CCCC1)[C@@H]1CCCO1 ZINC000665247977 412192243 /nfs/dbraw/zinc/19/22/43/412192243.db2.gz MXPNGGBNYFCZFZ-QWRGUYRKSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+]CC1(N)CCCC1 ZINC000665247270 412193219 /nfs/dbraw/zinc/19/32/19/412193219.db2.gz YYJZPLJJVRKJDF-LLVKDONJSA-N 1 3 234.347 1.269 20 0 BDADHO CC[C@H]([NH2+]C)C(=O)N(CCN(C)C)CC(C)C ZINC000662524255 412203919 /nfs/dbraw/zinc/20/39/19/412203919.db2.gz KKHDHNYDUHZCEH-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CC[C@@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262330 412205232 /nfs/dbraw/zinc/20/52/32/412205232.db2.gz YSYJIDAWXDDHMJ-JHJVBQTASA-N 1 3 228.380 1.658 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CC1(F)F ZINC000665267537 412210106 /nfs/dbraw/zinc/21/01/06/412210106.db2.gz YKCZQQIXVXPMID-MMWGEVLESA-N 1 3 248.317 1.374 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@]1(C)CC1(F)F ZINC000665267537 412210109 /nfs/dbraw/zinc/21/01/09/412210109.db2.gz YKCZQQIXVXPMID-MMWGEVLESA-N 1 3 248.317 1.374 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CC1(F)F ZINC000665267539 412210369 /nfs/dbraw/zinc/21/03/69/412210369.db2.gz YKCZQQIXVXPMID-UKKRHICBSA-N 1 3 248.317 1.374 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@]1(C)CC1(F)F ZINC000665267539 412210372 /nfs/dbraw/zinc/21/03/72/412210372.db2.gz YKCZQQIXVXPMID-UKKRHICBSA-N 1 3 248.317 1.374 20 0 BDADHO Nc1ccc2c(c1)CC[C@H]2N[C@H]1CCC[C@H]1C[NH3+] ZINC000665272942 412213818 /nfs/dbraw/zinc/21/38/18/412213818.db2.gz NUJMXLDEZHPHBN-TUKIKUTGSA-N 1 3 245.370 1.973 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665272942 412213820 /nfs/dbraw/zinc/21/38/20/412213820.db2.gz NUJMXLDEZHPHBN-TUKIKUTGSA-N 1 3 245.370 1.973 20 0 BDADHO COC1CC(CC[NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000665229773 412168214 /nfs/dbraw/zinc/16/82/14/412168214.db2.gz CHOBACVEXJFRDT-QKEWWQLBSA-N 1 3 214.353 1.517 20 0 BDADHO COC1CC(CCN[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665229999 412168460 /nfs/dbraw/zinc/16/84/60/412168460.db2.gz HIAUORZUBYUDAK-ABXWRUBCSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(N)c1 ZINC000665232367 412169796 /nfs/dbraw/zinc/16/97/96/412169796.db2.gz LTEGMTVIKICFIJ-RISCZKNCSA-N 1 3 233.359 1.747 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748080 412172665 /nfs/dbraw/zinc/17/26/65/412172665.db2.gz RVTYXAUTYQXZPN-CLPYTZEMSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccn1 ZINC000665232953 412172869 /nfs/dbraw/zinc/17/28/69/412172869.db2.gz YHDOLIWAEJBFTI-YRGRVCCFSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccccn1 ZINC000665232953 412172872 /nfs/dbraw/zinc/17/28/72/412172872.db2.gz YHDOLIWAEJBFTI-YRGRVCCFSA-N 1 3 233.359 1.902 20 0 BDADHO CCCN1CC[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665274303 412216945 /nfs/dbraw/zinc/21/69/45/412216945.db2.gz NEFRJFHHLQVUGP-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO CCCN1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665274305 412217352 /nfs/dbraw/zinc/21/73/52/412217352.db2.gz NEFRJFHHLQVUGP-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279985 412224130 /nfs/dbraw/zinc/22/41/30/412224130.db2.gz QUGQVWIKVSTXKP-CMOBGSAGSA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000665281167 412226981 /nfs/dbraw/zinc/22/69/81/412226981.db2.gz WJQAOYJUSJIAGU-YRGRVCCFSA-N 1 3 239.407 1.575 20 0 BDADHO CN(CC(C)(C)[NH3+])C(=O)c1ccc2c(c1)CNC2 ZINC000662604063 412236098 /nfs/dbraw/zinc/23/60/98/412236098.db2.gz AASWAJQAXDTUJT-UHFFFAOYSA-N 1 3 247.342 1.099 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@H]1CCCC12CCOCC2 ZINC000665297486 412244572 /nfs/dbraw/zinc/24/45/72/412244572.db2.gz HAHDOXWUXXAMDH-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO FCCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665299979 412247582 /nfs/dbraw/zinc/24/75/82/412247582.db2.gz VWOKHWSEYUXEQJ-UPJWGTAASA-N 1 3 244.354 1.483 20 0 BDADHO CN(Cc1ccsc1)C[C@@H]1CC[NH2+]C1 ZINC000051889943 172908067 /nfs/dbraw/zinc/90/80/67/172908067.db2.gz GVYRBTCDRZSFLE-SNVBAGLBSA-N 1 3 210.346 1.789 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@](C)(O)C1 ZINC000300332537 173004537 /nfs/dbraw/zinc/00/45/37/173004537.db2.gz MFJAAVYXFPUNKI-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@](C)(O)C1 ZINC000300332537 173004538 /nfs/dbraw/zinc/00/45/38/173004538.db2.gz MFJAAVYXFPUNKI-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCCN(C(=O)CCCCCC[NH3+])CC1 ZINC000020217857 173011974 /nfs/dbraw/zinc/01/19/74/173011974.db2.gz MJYKCWQKUMACLS-UHFFFAOYSA-N 1 3 241.379 1.060 20 0 BDADHO CN1CCC[C@@H]1CC[NH+]1CCC(CO)CC1 ZINC000305100213 173029434 /nfs/dbraw/zinc/02/94/34/173029434.db2.gz BDTUDDKTOQYZJV-CYBMUJFWSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](CO)C1 ZINC000305635255 173029447 /nfs/dbraw/zinc/02/94/47/173029447.db2.gz GVXPOWVMAYHYKU-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H](CO)C1 ZINC000305635255 173029449 /nfs/dbraw/zinc/02/94/49/173029449.db2.gz GVXPOWVMAYHYKU-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000336712388 173035480 /nfs/dbraw/zinc/03/54/80/173035480.db2.gz RWSBANOOBFVENB-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@@H]21 ZINC000336712388 173035482 /nfs/dbraw/zinc/03/54/82/173035482.db2.gz RWSBANOOBFVENB-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036346 /nfs/dbraw/zinc/03/63/46/173036346.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 1 3 248.374 1.368 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036348 /nfs/dbraw/zinc/03/63/48/173036348.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036350 /nfs/dbraw/zinc/03/63/50/173036350.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790424 173036351 /nfs/dbraw/zinc/03/63/51/173036351.db2.gz YCJQTEOCECGENG-KGLIPLIRSA-N 1 3 248.374 1.368 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000336554753 173041571 /nfs/dbraw/zinc/04/15/71/173041571.db2.gz BJDRSPMXRBPURG-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000336554753 173041573 /nfs/dbraw/zinc/04/15/73/173041573.db2.gz BJDRSPMXRBPURG-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO CN1CCC[C@H]1CC[NH+]1CCC2(CCO2)CC1 ZINC000367245647 173051931 /nfs/dbraw/zinc/05/19/31/173051931.db2.gz ZLUMFMKRPTWELW-ZDUSSCGKSA-N 1 3 238.375 1.726 20 0 BDADHO C[NH2+]C1CCN(C[C@H]2CCSC2)CC1 ZINC000228576535 173322708 /nfs/dbraw/zinc/32/27/08/173322708.db2.gz KSYSLTUSIUDELX-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO CNC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000228576535 173322709 /nfs/dbraw/zinc/32/27/09/173322709.db2.gz KSYSLTUSIUDELX-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO C[NH2+]CCCNC[C@@H](C)c1ccccc1 ZINC000010435508 173349185 /nfs/dbraw/zinc/34/91/85/173349185.db2.gz NHDRMFQVTZVFDA-GFCCVEGCSA-N 1 3 206.333 1.989 20 0 BDADHO CNCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000010435508 173349186 /nfs/dbraw/zinc/34/91/86/173349186.db2.gz NHDRMFQVTZVFDA-GFCCVEGCSA-N 1 3 206.333 1.989 20 0 BDADHO C[NH2+]CCN(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000131770186 173351886 /nfs/dbraw/zinc/35/18/86/173351886.db2.gz MEZFOOJVSSWFJT-AAEUAGOBSA-N 1 3 249.358 1.000 20 0 BDADHO COC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000037266527 174028826 /nfs/dbraw/zinc/02/88/26/174028826.db2.gz DVTFFJUNSADVHA-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO COC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000037266527 174028829 /nfs/dbraw/zinc/02/88/29/174028829.db2.gz DVTFFJUNSADVHA-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357058748 174069844 /nfs/dbraw/zinc/06/98/44/174069844.db2.gz WEKRXNQXJVZTDD-VXGBXAGGSA-N 1 3 226.364 1.200 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000234889330 174156707 /nfs/dbraw/zinc/15/67/07/174156707.db2.gz PQXAZYAFSFPBTG-VXGBXAGGSA-N 1 3 226.364 1.520 20 0 BDADHO COCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372991268 174227492 /nfs/dbraw/zinc/22/74/92/174227492.db2.gz UAGUPIAGYQALCE-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO COCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372991268 174227495 /nfs/dbraw/zinc/22/74/95/174227495.db2.gz UAGUPIAGYQALCE-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO COCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991268 174227496 /nfs/dbraw/zinc/22/74/96/174227496.db2.gz UAGUPIAGYQALCE-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO COCCCN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336706764 174232879 /nfs/dbraw/zinc/23/28/79/174232879.db2.gz OGWOTPVEKXUZQY-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO COCCCN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336706764 174232880 /nfs/dbraw/zinc/23/28/80/174232880.db2.gz OGWOTPVEKXUZQY-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO COCCC[NH2+][C@H]1CCNCC1(C)C ZINC000300929708 174251399 /nfs/dbraw/zinc/25/13/99/174251399.db2.gz ZQVHLQVCIVAABO-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO COCCN(CC(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000062911888 174286784 /nfs/dbraw/zinc/28/67/84/174286784.db2.gz TWMWNZCMBOTQLW-ZDUSSCGKSA-N 1 3 228.380 1.590 20 0 BDADHO COCC[N@H+](CC(C)C)C[C@@H](N)CC(C)C ZINC000042370829 174287292 /nfs/dbraw/zinc/28/72/92/174287292.db2.gz FGKIVBQNRAQZIH-ZDUSSCGKSA-N 1 3 230.396 1.964 20 0 BDADHO COCC[N@@H+](CC(C)C)C[C@@H](N)CC(C)C ZINC000042370829 174287294 /nfs/dbraw/zinc/28/72/94/174287294.db2.gz FGKIVBQNRAQZIH-ZDUSSCGKSA-N 1 3 230.396 1.964 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C)COC1 ZINC000094721562 175766620 /nfs/dbraw/zinc/76/66/20/175766620.db2.gz LPXIOVKUOGVBRA-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCOCCN(C)C)C[C@H]1C ZINC000300421019 176213656 /nfs/dbraw/zinc/21/36/56/176213656.db2.gz COVYQVZPPVGPAQ-MGPQQGTHSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1CN(CCCCCF)CC[C@H]1[NH3+] ZINC000336678097 176287797 /nfs/dbraw/zinc/28/77/97/176287797.db2.gz DWBVGVGAMCJXDS-GHMZBOCLSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1COCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919007 176336062 /nfs/dbraw/zinc/33/60/62/176336062.db2.gz DGLNBRMGYRDOSQ-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000304370212 176354111 /nfs/dbraw/zinc/35/41/11/176354111.db2.gz FVGHEBHJPFAQHY-VOAKCMCISA-N 1 3 240.416 1.954 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000304370212 176354112 /nfs/dbraw/zinc/35/41/12/176354112.db2.gz FVGHEBHJPFAQHY-VOAKCMCISA-N 1 3 240.416 1.954 20 0 BDADHO C[C@@H]1C[C@@H](NCC2=CCCOC2)CC[N@@H+]1C ZINC000309660049 176374610 /nfs/dbraw/zinc/37/46/10/176374610.db2.gz ASCXPOCDAAOIFU-YPMHNXCESA-N 1 3 224.348 1.405 20 0 BDADHO C[C@@H]1C[C@@H](NCC2=CCCOC2)CC[N@H+]1C ZINC000309660049 176374613 /nfs/dbraw/zinc/37/46/13/176374613.db2.gz ASCXPOCDAAOIFU-YPMHNXCESA-N 1 3 224.348 1.405 20 0 BDADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000300635099 177184198 /nfs/dbraw/zinc/18/41/98/177184198.db2.gz VIBNLYUZRVKNHT-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)CC1=CCCOC1 ZINC000336526517 177233783 /nfs/dbraw/zinc/23/37/83/177233783.db2.gz NDGKUJITANXLKI-GXTWGEPZSA-N 1 3 238.375 1.605 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)CC1=CCCOC1 ZINC000336526517 177233784 /nfs/dbraw/zinc/23/37/84/177233784.db2.gz NDGKUJITANXLKI-GXTWGEPZSA-N 1 3 238.375 1.605 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000235381811 177258859 /nfs/dbraw/zinc/25/88/59/177258859.db2.gz MCHVJSQFGCFSFL-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]1C[C@@H](CN(C)Cc2cccnc2)CC[NH2+]1 ZINC000235697947 177323317 /nfs/dbraw/zinc/32/33/17/177323317.db2.gz ZRBXBSPSLCKLNR-STQMWFEESA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H]1C[C@H](NCCc2nccs2)CC[N@@H+]1C ZINC000127840283 177370701 /nfs/dbraw/zinc/37/07/01/177370701.db2.gz IPLFDPLRWVTZTH-WDEREUQCSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H]1C[C@H](NCCc2nccs2)CC[N@H+]1C ZINC000127840283 177370702 /nfs/dbraw/zinc/37/07/02/177370702.db2.gz IPLFDPLRWVTZTH-WDEREUQCSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H]1Cc2ccccc2CN1CCOCC[NH3+] ZINC000357090984 177389785 /nfs/dbraw/zinc/38/97/85/177389785.db2.gz VPUKBOGCWZWHRT-LBPRGKRZSA-N 1 3 234.343 1.409 20 0 BDADHO C[C@]1(CNC[C@@H]2CCCCO2)CC[NH2+]C1 ZINC000062912051 177463308 /nfs/dbraw/zinc/46/33/08/177463308.db2.gz FOJFSDNPZGRIHB-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO CCOCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000087325962 487640874 /nfs/dbraw/zinc/64/08/74/487640874.db2.gz IUBKRRVESYVQJA-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]([NH2+]CC1CCSCC1)[C@H]1CCCN1 ZINC000400611682 226347713 /nfs/dbraw/zinc/34/77/13/226347713.db2.gz YOQHENIUXSKKJN-CMPLNLGQSA-N 1 3 228.405 1.860 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)OC)[C@H](C)C1 ZINC000188119195 487679535 /nfs/dbraw/zinc/67/95/35/487679535.db2.gz MVYMPXPVNGPWEO-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)OC)[C@H](C)C1 ZINC000188119195 487679537 /nfs/dbraw/zinc/67/95/37/487679537.db2.gz MVYMPXPVNGPWEO-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)C[NH2+]C(C)C ZINC000037825194 487682088 /nfs/dbraw/zinc/68/20/88/487682088.db2.gz DFOLCQFABAJKST-UHFFFAOYSA-N 1 3 243.395 1.031 20 0 BDADHO C(CC1CCOCC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000681111822 487730235 /nfs/dbraw/zinc/73/02/35/487730235.db2.gz LURCMAFWYSNVNB-OKILXGFUSA-N 1 3 238.375 1.344 20 0 BDADHO CCOCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250493200 487733317 /nfs/dbraw/zinc/73/33/17/487733317.db2.gz IUBKRRVESYVQJA-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000250682087 487738901 /nfs/dbraw/zinc/73/89/01/487738901.db2.gz YVIHUZFQQRTMJU-GRYCIOLGSA-N 1 3 212.337 1.415 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000671748173 487743037 /nfs/dbraw/zinc/74/30/37/487743037.db2.gz JZYJZLUANHRDHB-MGPQQGTHSA-N 1 3 248.374 1.681 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n[nH]1 ZINC000671748173 487743040 /nfs/dbraw/zinc/74/30/40/487743040.db2.gz JZYJZLUANHRDHB-MGPQQGTHSA-N 1 3 248.374 1.681 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n[nH]1 ZINC000671748171 487743268 /nfs/dbraw/zinc/74/32/68/487743268.db2.gz JZYJZLUANHRDHB-BFHYXJOUSA-N 1 3 248.374 1.681 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n[nH]1 ZINC000671748171 487743271 /nfs/dbraw/zinc/74/32/71/487743271.db2.gz JZYJZLUANHRDHB-BFHYXJOUSA-N 1 3 248.374 1.681 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)CC[C@@H]1N ZINC000157890645 487761226 /nfs/dbraw/zinc/76/12/26/487761226.db2.gz VDFJSUUYPJRFCB-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC[C@@H]1N ZINC000157890645 487761230 /nfs/dbraw/zinc/76/12/30/487761230.db2.gz VDFJSUUYPJRFCB-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000157890645 487761234 /nfs/dbraw/zinc/76/12/34/487761234.db2.gz VDFJSUUYPJRFCB-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO NC[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649527 487788654 /nfs/dbraw/zinc/78/86/54/487788654.db2.gz KWTCGFSWGBFBBW-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000223649527 487788658 /nfs/dbraw/zinc/78/86/58/487788658.db2.gz KWTCGFSWGBFBBW-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000223649527 487788661 /nfs/dbraw/zinc/78/86/61/487788661.db2.gz KWTCGFSWGBFBBW-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CC[C@@H]1CN([C@@H](C)COC)CC[C@H]1[NH3+] ZINC000251728601 487792737 /nfs/dbraw/zinc/79/27/37/487792737.db2.gz KHFKDFUCOOHEBR-HBNTYKKESA-N 1 3 200.326 1.081 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCCN ZINC000414702202 487818809 /nfs/dbraw/zinc/81/88/09/487818809.db2.gz HTRCEOKNODABCM-NWDGAFQWSA-N 1 3 228.380 1.861 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCN ZINC000414702202 487818816 /nfs/dbraw/zinc/81/88/16/487818816.db2.gz HTRCEOKNODABCM-NWDGAFQWSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000307587420 487819681 /nfs/dbraw/zinc/81/96/81/487819681.db2.gz TXQUJQUDJHWLLK-NAKRPEOUSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000307587420 487819687 /nfs/dbraw/zinc/81/96/87/487819687.db2.gz TXQUJQUDJHWLLK-NAKRPEOUSA-N 1 3 214.378 1.740 20 0 BDADHO COCCN(CCC[NH3+])[C@@H]1CCCSC1 ZINC000414757729 487822382 /nfs/dbraw/zinc/82/23/82/487822382.db2.gz BKORGPAPBICPRJ-LLVKDONJSA-N 1 3 232.393 1.179 20 0 BDADHO C[C@H](c1ccncc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000252699133 487829770 /nfs/dbraw/zinc/82/97/70/487829770.db2.gz RGLYGXPXPRZNHJ-UTUOFQBUSA-N 1 3 219.332 1.812 20 0 BDADHO [NH3+]CCCNCc1cccc(Cn2cccn2)c1 ZINC000415082571 487836112 /nfs/dbraw/zinc/83/61/12/487836112.db2.gz MFTGMHTYFUUQTG-UHFFFAOYSA-N 1 3 244.342 1.370 20 0 BDADHO C[C@H](COc1cccc(F)c1)NCCC[NH3+] ZINC000415082812 487836531 /nfs/dbraw/zinc/83/65/31/487836531.db2.gz OWMHHFJIRNMJKT-SNVBAGLBSA-N 1 3 226.295 1.531 20 0 BDADHO [NH3+]CCCN1CC[C@@H]2CSC[C@H]2C1 ZINC000866704174 589513253 /nfs/dbraw/zinc/51/32/53/589513253.db2.gz RJSDDRIZNCHHFZ-NXEZZACHSA-N 1 3 200.351 1.020 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000234623304 487844637 /nfs/dbraw/zinc/84/46/37/487844637.db2.gz JFWGBVVRZHNWDU-VXGBXAGGSA-N 1 3 214.353 1.663 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H](C)COC)CC[C@H]1N ZINC000253110287 487851145 /nfs/dbraw/zinc/85/11/45/487851145.db2.gz GAWKFIDWUXGHQU-QJPTWQEYSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H](C)COC)CC[C@H]1N ZINC000253110287 487851152 /nfs/dbraw/zinc/85/11/52/487851152.db2.gz GAWKFIDWUXGHQU-QJPTWQEYSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1CN(C[C@H](C)COC)CC[C@H]1[NH3+] ZINC000253110287 487851156 /nfs/dbraw/zinc/85/11/56/487851156.db2.gz GAWKFIDWUXGHQU-QJPTWQEYSA-N 1 3 214.353 1.328 20 0 BDADHO [NH3+]CCCN1CCOCC2(CCCC2)C1 ZINC000666705481 487864276 /nfs/dbraw/zinc/86/42/76/487864276.db2.gz UGMJRJGDTBYMOG-UHFFFAOYSA-N 1 3 212.337 1.228 20 0 BDADHO CCSCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129059251 487875801 /nfs/dbraw/zinc/87/58/01/487875801.db2.gz GMZFJCFKEPLYBU-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO CCSCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129059251 487875805 /nfs/dbraw/zinc/87/58/05/487875805.db2.gz GMZFJCFKEPLYBU-VXGBXAGGSA-N 1 3 228.405 1.956 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666910461 487878303 /nfs/dbraw/zinc/87/83/03/487878303.db2.gz PIOUCTFERUHDCM-LBPRGKRZSA-N 1 3 245.330 1.094 20 0 BDADHO CC[C@@H]1CN(CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403813906 487889907 /nfs/dbraw/zinc/88/99/07/487889907.db2.gz LKFKCGZCJZYCQD-DGCLKSJQSA-N 1 3 226.364 1.485 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)[C@@H](C)C1 ZINC000666947808 487912595 /nfs/dbraw/zinc/91/25/95/487912595.db2.gz IRJSNLRGAOPMBI-ZDEQEGDKSA-N 1 3 243.370 1.006 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995078 487921347 /nfs/dbraw/zinc/92/13/47/487921347.db2.gz CFXGZKQQPYSSNE-TUAOUCFPSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995078 487921351 /nfs/dbraw/zinc/92/13/51/487921351.db2.gz CFXGZKQQPYSSNE-TUAOUCFPSA-N 1 3 224.348 1.428 20 0 BDADHO CCOC[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995653 487921031 /nfs/dbraw/zinc/92/10/31/487921031.db2.gz VJJBDOIODONTIF-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO CCOC[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995653 487921036 /nfs/dbraw/zinc/92/10/36/487921036.db2.gz VJJBDOIODONTIF-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO O=C(CC[NH2+]C1CC1)Nc1ccc2c(c1)CNC2 ZINC000569502325 322968307 /nfs/dbraw/zinc/96/83/07/322968307.db2.gz LJXAFVVDJWIFIX-UHFFFAOYSA-N 1 3 245.326 1.370 20 0 BDADHO CCC[C@@H](C)[NH+]1CCC(CO)(NC(C)C)CC1 ZINC000570174361 323052176 /nfs/dbraw/zinc/05/21/76/323052176.db2.gz XWRFXWVYLSQZAP-CYBMUJFWSA-N 1 3 242.407 2.000 20 0 BDADHO CC[C@H](O)CNC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000570564236 323063160 /nfs/dbraw/zinc/06/31/60/323063160.db2.gz JHANKDQCOYSKHP-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@H](O)CNC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000570564236 323063161 /nfs/dbraw/zinc/06/31/61/323063161.db2.gz JHANKDQCOYSKHP-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000570564236 323063162 /nfs/dbraw/zinc/06/31/62/323063162.db2.gz JHANKDQCOYSKHP-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000570722175 323068633 /nfs/dbraw/zinc/06/86/33/323068633.db2.gz CPRSHQBCQKHOFB-MNOVXSKESA-N 1 3 249.358 1.214 20 0 BDADHO CC(C)OCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397392263 323108248 /nfs/dbraw/zinc/10/82/48/323108248.db2.gz NZGPOMKLSBCKGI-AGIUHOORSA-N 1 3 228.380 1.717 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000531727700 323111485 /nfs/dbraw/zinc/11/14/85/323111485.db2.gz GQAISRONKMGPFK-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CCC([NH2+]CCN2CC[C@H](C)C2)CC1 ZINC000531727716 323111535 /nfs/dbraw/zinc/11/15/35/323111535.db2.gz JAYZHESMRIJNPG-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000571111891 323135839 /nfs/dbraw/zinc/13/58/39/323135839.db2.gz CJGNMHZXBHFLGY-PEBLQZBPSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000571111891 323135840 /nfs/dbraw/zinc/13/58/40/323135840.db2.gz CJGNMHZXBHFLGY-PEBLQZBPSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000571111891 323135841 /nfs/dbraw/zinc/13/58/41/323135841.db2.gz CJGNMHZXBHFLGY-PEBLQZBPSA-N 1 3 238.375 1.626 20 0 BDADHO CC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000571158365 323136940 /nfs/dbraw/zinc/13/69/40/323136940.db2.gz GDTCHPVFXRTYLB-WOPDTQHZSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000571158365 323136941 /nfs/dbraw/zinc/13/69/41/323136941.db2.gz GDTCHPVFXRTYLB-WOPDTQHZSA-N 1 3 214.353 1.220 20 0 BDADHO Cc1cnc(CCN[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000571418746 323144437 /nfs/dbraw/zinc/14/44/37/323144437.db2.gz YYRSEDXDRJNBTK-RYUDHWBXSA-N 1 3 234.347 1.187 20 0 BDADHO CCNC(=O)C(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571417933 323144470 /nfs/dbraw/zinc/14/44/70/323144470.db2.gz QFJBDVOSNPIHJK-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000571417933 323144471 /nfs/dbraw/zinc/14/44/71/323144471.db2.gz QFJBDVOSNPIHJK-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2ccnc(N)c2)CC1 ZINC000572881082 323514110 /nfs/dbraw/zinc/51/41/10/323514110.db2.gz ZYVKMMUEUIMEJV-SNVBAGLBSA-N 1 3 234.347 1.053 20 0 BDADHO CC[NH2+]CCCN[C@H](COC)C(C)C ZINC000515828726 324116026 /nfs/dbraw/zinc/11/60/26/324116026.db2.gz DLJWLLCZPLDHDB-LLVKDONJSA-N 1 3 202.342 1.247 20 0 BDADHO CN(C)Cc1ccc(NC(=O)CC[NH3+])cc1 ZINC000037042491 324223990 /nfs/dbraw/zinc/22/39/90/324223990.db2.gz XYDAKPMEHUUSGS-UHFFFAOYSA-N 1 3 221.304 1.036 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[NH2+]CC2)cn1 ZINC000530223998 324544303 /nfs/dbraw/zinc/54/43/03/324544303.db2.gz VCIBWZLBRPQGKK-CYBMUJFWSA-N 1 3 249.358 1.364 20 0 BDADHO CCOCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086402143 325614524 /nfs/dbraw/zinc/61/45/24/325614524.db2.gz AQJRTGQIYDJXMZ-QWRGUYRKSA-N 1 3 200.326 1.273 20 0 BDADHO Nc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccn1 ZINC000564986177 325839965 /nfs/dbraw/zinc/83/99/65/325839965.db2.gz HOSNLLZVZMVHCX-UHFFFAOYSA-N 1 3 246.358 1.070 20 0 BDADHO CC1(C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC1 ZINC000566230218 326019377 /nfs/dbraw/zinc/01/93/77/326019377.db2.gz SFMNSUJGVXYHCC-GFCCVEGCSA-N 1 3 238.375 1.474 20 0 BDADHO CC1(C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC1 ZINC000566230218 326019379 /nfs/dbraw/zinc/01/93/79/326019379.db2.gz SFMNSUJGVXYHCC-GFCCVEGCSA-N 1 3 238.375 1.474 20 0 BDADHO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000566807305 326085354 /nfs/dbraw/zinc/08/53/54/326085354.db2.gz MCPXYFITYRYZIO-LOWDOPEQSA-N 1 3 228.380 1.643 20 0 BDADHO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000566807306 326085422 /nfs/dbraw/zinc/08/54/22/326085422.db2.gz MCPXYFITYRYZIO-RVMXOQNASA-N 1 3 228.380 1.643 20 0 BDADHO CC[NH2+]CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000567383478 326180352 /nfs/dbraw/zinc/18/03/52/326180352.db2.gz CYCGUYMEVHFCGJ-UHFFFAOYSA-N 1 3 249.358 1.088 20 0 BDADHO COCCC[C@H](C)[NH2+]CCCNC(C)C ZINC000567639074 326236085 /nfs/dbraw/zinc/23/60/85/326236085.db2.gz QIJRIZFQKCAVAC-LBPRGKRZSA-N 1 3 216.369 1.779 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735520 326241083 /nfs/dbraw/zinc/24/10/83/326241083.db2.gz JCHJREHFLYAOLI-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCC2(CCO)CC2)C1 ZINC000156735520 326241086 /nfs/dbraw/zinc/24/10/86/326241086.db2.gz JCHJREHFLYAOLI-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000567893666 326278405 /nfs/dbraw/zinc/27/84/05/326278405.db2.gz ICHCRAQDWZEUKX-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000567893748 326278450 /nfs/dbraw/zinc/27/84/50/326278450.db2.gz TVBGNXKSBMZZJH-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO CCn1ccnc1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568845353 326379065 /nfs/dbraw/zinc/37/90/65/326379065.db2.gz ZLACFFWDXWLDDV-VXGBXAGGSA-N 1 3 236.363 1.510 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)CO ZINC000135082333 488013832 /nfs/dbraw/zinc/01/38/32/488013832.db2.gz GLLLMQMEFQCJKF-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000229967168 488015116 /nfs/dbraw/zinc/01/51/16/488015116.db2.gz NIPJNDAIYSSCEH-WQAKAFBOSA-N 1 3 220.316 1.492 20 0 BDADHO CCOCCCN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147449812 488024152 /nfs/dbraw/zinc/02/41/52/488024152.db2.gz YPIQQQOWGFMRJP-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO NC1(C(=O)Nc2cccc(C[NH3+])c2)CCCC1 ZINC000669508426 488108821 /nfs/dbraw/zinc/10/88/21/488108821.db2.gz WRLXVGWEBDXBMO-UHFFFAOYSA-N 1 3 233.315 1.355 20 0 BDADHO C[NH+](C)CCCN[C@@H]1CO[C@H](C2CC2)C1 ZINC000667763020 488111166 /nfs/dbraw/zinc/11/11/66/488111166.db2.gz NONSFHHGHDUNGE-RYUDHWBXSA-N 1 3 212.337 1.095 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792813 488121989 /nfs/dbraw/zinc/12/19/89/488121989.db2.gz JYHIIETUSBQHAU-KWCYVHTRSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792813 488121993 /nfs/dbraw/zinc/12/19/93/488121993.db2.gz JYHIIETUSBQHAU-KWCYVHTRSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667792813 488121996 /nfs/dbraw/zinc/12/19/96/488121996.db2.gz JYHIIETUSBQHAU-KWCYVHTRSA-N 1 3 238.375 1.485 20 0 BDADHO CN[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403457726 488123983 /nfs/dbraw/zinc/12/39/83/488123983.db2.gz ZOAUQUBLSFQAAP-YVECIDJPSA-N 1 3 208.349 1.716 20 0 BDADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403457726 488123987 /nfs/dbraw/zinc/12/39/87/488123987.db2.gz ZOAUQUBLSFQAAP-YVECIDJPSA-N 1 3 208.349 1.716 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000674302103 487554802 /nfs/dbraw/zinc/55/48/02/487554802.db2.gz JOQWJZCHVNKRAJ-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@@H]2CCCOC2)C1 ZINC000674302103 487554806 /nfs/dbraw/zinc/55/48/06/487554806.db2.gz JOQWJZCHVNKRAJ-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C1CC1 ZINC000381031910 487493131 /nfs/dbraw/zinc/49/31/31/487493131.db2.gz DMAPIFOYUSIELJ-DGCLKSJQSA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C1CC1 ZINC000381031910 487493134 /nfs/dbraw/zinc/49/31/34/487493134.db2.gz DMAPIFOYUSIELJ-DGCLKSJQSA-N 1 3 228.380 1.418 20 0 BDADHO CC[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000381079297 487494422 /nfs/dbraw/zinc/49/44/22/487494422.db2.gz QYDZFXGRVQLZRZ-STQMWFEESA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381079297 487494423 /nfs/dbraw/zinc/49/44/23/487494423.db2.gz QYDZFXGRVQLZRZ-STQMWFEESA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)[C@H]1C ZINC000381084279 487495327 /nfs/dbraw/zinc/49/53/27/487495327.db2.gz SGQJPHXDTOHHRY-JHJVBQTASA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C)[C@H]1C ZINC000381084279 487495332 /nfs/dbraw/zinc/49/53/32/487495332.db2.gz SGQJPHXDTOHHRY-JHJVBQTASA-N 1 3 228.380 1.418 20 0 BDADHO CN(C)CCC[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000685452108 487525248 /nfs/dbraw/zinc/52/52/48/487525248.db2.gz YHNOQZFZHMKSFZ-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CN(C)CCC[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000685452108 487525255 /nfs/dbraw/zinc/52/52/55/487525255.db2.gz YHNOQZFZHMKSFZ-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCCC[C@H]1C ZINC000379889108 488154873 /nfs/dbraw/zinc/15/48/73/488154873.db2.gz ADRDSKJYWXIRQL-ZIAGYGMSSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCCC[C@H]1C ZINC000379889108 488154876 /nfs/dbraw/zinc/15/48/76/488154876.db2.gz ADRDSKJYWXIRQL-ZIAGYGMSSA-N 1 3 242.407 1.952 20 0 BDADHO CCOCCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000250536330 487734314 /nfs/dbraw/zinc/73/43/14/487734314.db2.gz TVJQODNBKXKMBG-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CCC1(CC)CN(CCC[NH3+])CCS1 ZINC000414765488 488084017 /nfs/dbraw/zinc/08/40/17/488084017.db2.gz ZXEKYHRKNIZCBL-UHFFFAOYSA-N 1 3 216.394 1.943 20 0 BDADHO Cc1cnccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000229658772 487935765 /nfs/dbraw/zinc/93/57/65/487935765.db2.gz ZTMIEWBFIISWQN-GXTWGEPZSA-N 1 3 233.359 1.997 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC000683228094 488134244 /nfs/dbraw/zinc/13/42/44/488134244.db2.gz SMXQBZSNOLNVNJ-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@H]1CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC000683228094 488134249 /nfs/dbraw/zinc/13/42/49/488134249.db2.gz SMXQBZSNOLNVNJ-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H](CO)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000683228143 488134893 /nfs/dbraw/zinc/13/48/93/488134893.db2.gz VTQLBRKUVIUHSU-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](CO)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000683228143 488134896 /nfs/dbraw/zinc/13/48/96/488134896.db2.gz VTQLBRKUVIUHSU-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](CO)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228143 488134900 /nfs/dbraw/zinc/13/49/00/488134900.db2.gz VTQLBRKUVIUHSU-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CCOC1 ZINC000222851684 488134873 /nfs/dbraw/zinc/13/48/73/488134873.db2.gz SDNZJSOSCWOWPP-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO COCCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000379947074 488162592 /nfs/dbraw/zinc/16/25/92/488162592.db2.gz DEOPBGXKKMIFFR-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO COCCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000379947074 488162598 /nfs/dbraw/zinc/16/25/98/488162598.db2.gz DEOPBGXKKMIFFR-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccccc2N(C)C)C1 ZINC000351856751 488214260 /nfs/dbraw/zinc/21/42/60/488214260.db2.gz WATJLUKKLBQJAV-OLZOCXBDSA-N 1 3 247.386 1.922 20 0 BDADHO CN(CC(=O)NCCC[NH+](C)C)CC(C)(C)C ZINC000683782366 488219817 /nfs/dbraw/zinc/21/98/17/488219817.db2.gz YOLAFWGQLATQKA-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO C(N[C@@H](C1CC1)C1CCC1)[C@@H]1CCC[NH2+]1 ZINC000325083972 490105830 /nfs/dbraw/zinc/10/58/30/490105830.db2.gz ZRQOXLQYFKKVJB-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@@H](C1CC1)C1CCC1)[C@@H]1CCCN1 ZINC000325083972 490105838 /nfs/dbraw/zinc/10/58/38/490105838.db2.gz ZRQOXLQYFKKVJB-QWHCGFSZSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](C[NH3+])NCC(C)(C)c1ccccc1 ZINC000162060195 490137116 /nfs/dbraw/zinc/13/71/16/490137116.db2.gz OPARSVWHASGLLT-LLVKDONJSA-N 1 3 206.333 1.901 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)CCN1C ZINC000129581238 490153674 /nfs/dbraw/zinc/15/36/74/490153674.db2.gz OHFDPZZSPDUQRH-VXGBXAGGSA-N 1 3 227.396 1.399 20 0 BDADHO Cc1csc(CNCC2(C)CC[NH2+]CC2)n1 ZINC000062841840 490366370 /nfs/dbraw/zinc/36/63/70/490366370.db2.gz VBWCECQXGQOAPI-UHFFFAOYSA-N 1 3 239.388 1.931 20 0 BDADHO C[C@H]1CSCC[N@@H+]1CC1CCN(C)CC1 ZINC000892046103 582771714 /nfs/dbraw/zinc/77/17/14/582771714.db2.gz NLMGGZFYDFLLBC-NSHDSACASA-N 1 3 228.405 1.766 20 0 BDADHO C[C@H]1CSCC[N@H+]1CC1CCN(C)CC1 ZINC000892046103 582771715 /nfs/dbraw/zinc/77/17/15/582771715.db2.gz NLMGGZFYDFLLBC-NSHDSACASA-N 1 3 228.405 1.766 20 0 BDADHO Cc1csc(CNCC[C@@H]2CCC[NH2+]C2)n1 ZINC000054309204 518191991 /nfs/dbraw/zinc/19/19/91/518191991.db2.gz RTYVMTGELRVFTJ-NSHDSACASA-N 1 3 239.388 1.931 20 0 BDADHO CCCCNC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000848986524 582817513 /nfs/dbraw/zinc/81/75/13/582817513.db2.gz AZEDTQNIWSPWSL-NSHDSACASA-N 1 3 226.368 1.385 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH+](C)C)[C@@H]1SC ZINC000459369413 527832939 /nfs/dbraw/zinc/83/29/39/527832939.db2.gz NUMINPNYUPKMIU-UTUOFQBUSA-N 1 3 246.420 1.437 20 0 BDADHO COC[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335570840 536525674 /nfs/dbraw/zinc/52/56/74/536525674.db2.gz VTNYHRZSSFXXBT-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO COC[C@@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335570840 536525683 /nfs/dbraw/zinc/52/56/83/536525683.db2.gz VTNYHRZSSFXXBT-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO CCN1CCN(CCC[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488422813 529144875 /nfs/dbraw/zinc/14/48/75/529144875.db2.gz ZAQRQXNKENLRAV-KGLIPLIRSA-N 1 3 239.407 1.260 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252715107 535004179 /nfs/dbraw/zinc/00/41/79/535004179.db2.gz UQXNHCAEHLGUFP-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CCN1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000168734110 535541387 /nfs/dbraw/zinc/54/13/87/535541387.db2.gz WWOYQSKTVRKWQE-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000348128890 535860329 /nfs/dbraw/zinc/86/03/29/535860329.db2.gz QNFHEFHYSIFJGI-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000348128890 535860330 /nfs/dbraw/zinc/86/03/30/535860330.db2.gz QNFHEFHYSIFJGI-UPJWGTAASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251126297 536122563 /nfs/dbraw/zinc/12/25/63/536122563.db2.gz XFKHZQORYUWMIY-TUAOUCFPSA-N 1 3 214.353 1.519 20 0 BDADHO CN(CCCO)C1CC[NH+](CCCCF)CC1 ZINC000352024494 536356826 /nfs/dbraw/zinc/35/68/26/536356826.db2.gz HBIIDHIFZIQNEJ-UHFFFAOYSA-N 1 3 246.370 1.515 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000348148511 536371123 /nfs/dbraw/zinc/37/11/23/536371123.db2.gz IOGQOOWDSSKADR-MGPQQGTHSA-N 1 3 240.391 1.611 20 0 BDADHO CO[C@@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975432 536516852 /nfs/dbraw/zinc/51/68/52/536516852.db2.gz FTUCYSMDRGAKGI-RYUDHWBXSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000179243432 536708216 /nfs/dbraw/zinc/70/82/16/536708216.db2.gz QCGBXINCNJPCQU-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CO[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000179243432 536708220 /nfs/dbraw/zinc/70/82/20/536708220.db2.gz QCGBXINCNJPCQU-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO COCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499913 536894012 /nfs/dbraw/zinc/89/40/12/536894012.db2.gz FFWZXGRTPWKHJY-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000261533603 536896852 /nfs/dbraw/zinc/89/68/52/536896852.db2.gz LCFYKKOKHGZLGK-ZJUUUORDSA-N 1 3 208.305 1.521 20 0 BDADHO C[C@@H](CCO)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000853239286 588728174 /nfs/dbraw/zinc/72/81/74/588728174.db2.gz DKIUPTFSVDHRDD-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+]CC23CC(C2)CN3)CCO1 ZINC000853245631 588728647 /nfs/dbraw/zinc/72/86/47/588728647.db2.gz AGZHWERSIRFLJO-AHPWVWPOSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@H]1C[C@@H](CNCC23CC(C2)C[NH2+]3)CCO1 ZINC000853245631 588728648 /nfs/dbraw/zinc/72/86/48/588728648.db2.gz AGZHWERSIRFLJO-AHPWVWPOSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000854230804 588780919 /nfs/dbraw/zinc/78/09/19/588780919.db2.gz YZFQJSUZXOGDKN-CHWSQXEVSA-N 1 3 240.391 1.909 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCC12CCOCC2 ZINC000854230804 588780920 /nfs/dbraw/zinc/78/09/20/588780920.db2.gz YZFQJSUZXOGDKN-CHWSQXEVSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](CNc1cc(N)ncc1Cl)[NH+](C)C ZINC000892027770 582765391 /nfs/dbraw/zinc/76/53/91/582765391.db2.gz JDVXTFMYINWGDP-SSDOTTSWSA-N 1 3 228.727 1.679 20 0 BDADHO COC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000319189530 582854995 /nfs/dbraw/zinc/85/49/95/582854995.db2.gz OKKQRPJSPUZYEU-STQMWFEESA-N 1 3 238.375 1.487 20 0 BDADHO Cc1cc(C[NH2+][C@@H](C)CCN(C)C)cnc1F ZINC000892762496 582977708 /nfs/dbraw/zinc/97/77/08/582977708.db2.gz AOSPPAGFPVOVIB-NSHDSACASA-N 1 3 239.338 1.959 20 0 BDADHO Cc1cc(N)nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000892824431 582989383 /nfs/dbraw/zinc/98/93/83/582989383.db2.gz QQZLWCXUKHHJAR-WDEREUQCSA-N 1 3 249.362 1.652 20 0 BDADHO CC(=O)N[C@@H]1CCN(CCCCCCC[NH3+])C1 ZINC000852755580 583016799 /nfs/dbraw/zinc/01/67/99/583016799.db2.gz UNKMNBTXASQCNZ-CYBMUJFWSA-N 1 3 241.379 1.106 20 0 BDADHO CO[C@H]1CCC[N@H+](CC2CCN(C)CC2)CC1 ZINC000893510961 583155083 /nfs/dbraw/zinc/15/50/83/583155083.db2.gz LCSNHZHLZHRLBH-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@H]1CCC[N@@H+](CC2CCN(C)CC2)CC1 ZINC000893510961 583155084 /nfs/dbraw/zinc/15/50/84/583155084.db2.gz LCSNHZHLZHRLBH-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@]1(C)COCCN1CC1CC[NH+](C)CC1 ZINC000893668085 583192046 /nfs/dbraw/zinc/19/20/46/583192046.db2.gz CQLGPJIOCWSTQZ-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@]1(CO)CCC[N@@H+]1CC1CCN(C)CC1 ZINC000893908204 583249112 /nfs/dbraw/zinc/24/91/12/583249112.db2.gz OXGSGIRDXYJAQT-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@]1(CO)CCC[N@H+]1CC1CCN(C)CC1 ZINC000893908204 583249113 /nfs/dbraw/zinc/24/91/13/583249113.db2.gz OXGSGIRDXYJAQT-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO NCc1cccc(C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000841846576 583357089 /nfs/dbraw/zinc/35/70/89/583357089.db2.gz YEVBSAZLHWQQSM-ZDUSSCGKSA-N 1 3 247.342 1.017 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CNC1 ZINC000857253175 588901378 /nfs/dbraw/zinc/90/13/78/588901378.db2.gz IFYSSOXNZOTOAD-VXNVDRBHSA-N 1 3 237.174 1.768 20 0 BDADHO C[NH+]1CCC(CN2CC[C@H](F)C2)CC1 ZINC000894670665 583503090 /nfs/dbraw/zinc/50/30/90/583503090.db2.gz KGCMGETXVSRFTE-NSHDSACASA-N 1 3 200.301 1.372 20 0 BDADHO Cc1ncoc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000894984875 583564202 /nfs/dbraw/zinc/56/42/02/583564202.db2.gz MPLMURAMQCEJEK-LBPRGKRZSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1ncoc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000894984875 583564204 /nfs/dbraw/zinc/56/42/04/583564204.db2.gz MPLMURAMQCEJEK-LBPRGKRZSA-N 1 3 237.347 1.805 20 0 BDADHO CC(C)OC1CC([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895294080 583638405 /nfs/dbraw/zinc/63/84/05/583638405.db2.gz OQQDILSONWJXFQ-PNESKVBLSA-N 1 3 228.380 1.872 20 0 BDADHO CC(C)OC1CC(NCC[C@@H](C)[NH+](C)C)C1 ZINC000895294080 583638406 /nfs/dbraw/zinc/63/84/06/583638406.db2.gz OQQDILSONWJXFQ-PNESKVBLSA-N 1 3 228.380 1.872 20 0 BDADHO CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000895587297 583694244 /nfs/dbraw/zinc/69/42/44/583694244.db2.gz ODQXEUVDJAYESO-YPMHNXCESA-N 1 3 242.363 1.260 20 0 BDADHO CO[C@@H]1CC[C@@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000896074702 583768467 /nfs/dbraw/zinc/76/84/67/583768467.db2.gz CNLKLSGMVFCMHX-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CC[C@@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000896074702 583768468 /nfs/dbraw/zinc/76/84/68/583768468.db2.gz CNLKLSGMVFCMHX-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO C[NH+](C)C(C)(C)CNc1ccnc(CO)c1 ZINC000858316207 588944371 /nfs/dbraw/zinc/94/43/71/588944371.db2.gz NMFPOFWSEQGRMY-UHFFFAOYSA-N 1 3 223.320 1.326 20 0 BDADHO C[NH+](C)[C@H](CNc1ccnc(CO)c1)C1CC1 ZINC000858393768 588950942 /nfs/dbraw/zinc/95/09/42/588950942.db2.gz ZDFGCUCBFUHDMX-CYBMUJFWSA-N 1 3 235.331 1.326 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203181 584090273 /nfs/dbraw/zinc/09/02/73/584090273.db2.gz GJNTYSFQVSPHLQ-HZSPNIEDSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000898203181 584090276 /nfs/dbraw/zinc/09/02/76/584090276.db2.gz GJNTYSFQVSPHLQ-HZSPNIEDSA-N 1 3 238.375 1.364 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](C)Nc1ccnc(CO)c1 ZINC000858548819 588964668 /nfs/dbraw/zinc/96/46/68/588964668.db2.gz PMSJAZOZZDESNJ-NSHDSACASA-N 1 3 237.347 1.715 20 0 BDADHO CC(C)[N@H+](C)C[C@H](C)Nc1ccnc(CO)c1 ZINC000858548819 588964669 /nfs/dbraw/zinc/96/46/69/588964669.db2.gz PMSJAZOZZDESNJ-NSHDSACASA-N 1 3 237.347 1.715 20 0 BDADHO CN1CCC2(CC[N@@H+]2CC2(O)CCC2)CC1 ZINC000899911204 584253092 /nfs/dbraw/zinc/25/30/92/584253092.db2.gz RXNSGLJKLOBVBB-UHFFFAOYSA-N 1 3 224.348 1.072 20 0 BDADHO CN1CCC2(CC[N@H+]2CC2(O)CCC2)CC1 ZINC000899911204 584253094 /nfs/dbraw/zinc/25/30/94/584253094.db2.gz RXNSGLJKLOBVBB-UHFFFAOYSA-N 1 3 224.348 1.072 20 0 BDADHO C[NH+]1CCC2(CCN2CC2(O)CCC2)CC1 ZINC000899911204 584253097 /nfs/dbraw/zinc/25/30/97/584253097.db2.gz RXNSGLJKLOBVBB-UHFFFAOYSA-N 1 3 224.348 1.072 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H]1C1CCCC1 ZINC000899912390 584253635 /nfs/dbraw/zinc/25/36/35/584253635.db2.gz JCFSQIGLUXDMIO-ZIAGYGMSSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]1C1CCCC1 ZINC000899912390 584253637 /nfs/dbraw/zinc/25/36/37/584253637.db2.gz JCFSQIGLUXDMIO-ZIAGYGMSSA-N 1 3 240.391 1.564 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902320944 584552352 /nfs/dbraw/zinc/55/23/52/584552352.db2.gz TVJVTBAPCTUEPA-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO CN1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321349 584552846 /nfs/dbraw/zinc/55/28/46/584552846.db2.gz UVNQKOCWKJPEDI-NEPJUHHUSA-N 1 3 225.380 1.058 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCn2ccnc2)C1 ZINC000902327601 584560763 /nfs/dbraw/zinc/56/07/63/584560763.db2.gz FGVHFDQCGZQQOH-GFCCVEGCSA-N 1 3 236.363 1.251 20 0 BDADHO CC[C@@H](CCO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902335848 584564541 /nfs/dbraw/zinc/56/45/41/584564541.db2.gz CHJFDVCHYPMLCI-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC2(CO)CC2)C1 ZINC000902335271 584564848 /nfs/dbraw/zinc/56/48/48/584564848.db2.gz UIGNIVSZFPVPJI-LLVKDONJSA-N 1 3 226.364 1.127 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC2(CO)CC2)C1 ZINC000902335271 584564849 /nfs/dbraw/zinc/56/48/49/584564849.db2.gz UIGNIVSZFPVPJI-LLVKDONJSA-N 1 3 226.364 1.127 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCc2cccnc2)C1 ZINC000902337725 584565039 /nfs/dbraw/zinc/56/50/39/584565039.db2.gz SCYSNRHRRMOQPB-CQSZACIVSA-N 1 3 247.386 1.992 20 0 BDADHO C[C@H](CCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902360326 584571262 /nfs/dbraw/zinc/57/12/62/584571262.db2.gz KWDAMWGTGLKHTN-MNOVXSKESA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](CCO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360326 584571261 /nfs/dbraw/zinc/57/12/61/584571261.db2.gz KWDAMWGTGLKHTN-MNOVXSKESA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902362115 584572013 /nfs/dbraw/zinc/57/20/13/584572013.db2.gz WBFVEXVHASJQIE-OCCSQVGLSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)[C@@](C)(O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362115 584572015 /nfs/dbraw/zinc/57/20/15/584572015.db2.gz WBFVEXVHASJQIE-OCCSQVGLSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)(CO)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361218 584572386 /nfs/dbraw/zinc/57/23/86/584572386.db2.gz KHFWLYGTUJDHCH-LLVKDONJSA-N 1 3 228.380 1.373 20 0 BDADHO CC(C)(CO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902361218 584572387 /nfs/dbraw/zinc/57/23/87/584572387.db2.gz KHFWLYGTUJDHCH-LLVKDONJSA-N 1 3 228.380 1.373 20 0 BDADHO NC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000902405638 584573194 /nfs/dbraw/zinc/57/31/94/584573194.db2.gz JOWBBSKFYMKGBF-CYBMUJFWSA-N 1 3 232.327 1.851 20 0 BDADHO COc1ccc(C[C@H](C)NCC2([NH3+])CC2)cn1 ZINC000902407780 584574775 /nfs/dbraw/zinc/57/47/75/584574775.db2.gz UKDNTJIELQPVET-JTQLQIEISA-N 1 3 235.331 1.102 20 0 BDADHO CC(C)CO[C@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000902412462 584576258 /nfs/dbraw/zinc/57/62/58/584576258.db2.gz AHGMHUBCFLNHBQ-RYUDHWBXSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC2=CCOCC2)C1 ZINC000902389782 584581292 /nfs/dbraw/zinc/58/12/92/584581292.db2.gz YINTUEBRGVLTLY-ZDUSSCGKSA-N 1 3 238.375 1.701 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCC[C@H]2O)C1 ZINC000902391070 584581919 /nfs/dbraw/zinc/58/19/19/584581919.db2.gz SLXQSDAKSNRHSY-QJPTWQEYSA-N 1 3 226.364 1.268 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000902391070 584581921 /nfs/dbraw/zinc/58/19/21/584581921.db2.gz SLXQSDAKSNRHSY-QJPTWQEYSA-N 1 3 226.364 1.268 20 0 BDADHO CCC[C@@H](CCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902399037 584586233 /nfs/dbraw/zinc/58/62/33/584586233.db2.gz TZMPKYBQZFTRJX-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO NOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000902415713 584589692 /nfs/dbraw/zinc/58/96/92/584589692.db2.gz POVDKSJEYARRCI-JHJVBQTASA-N 1 3 241.379 1.167 20 0 BDADHO COc1cc([C@@H](C)[NH2+]CC2(N)CC2)ccc1F ZINC000902414234 584599643 /nfs/dbraw/zinc/59/96/43/584599643.db2.gz UBLPEEBWSGWDMK-SECBINFHSA-N 1 3 238.306 1.976 20 0 BDADHO NOCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000902414811 584600137 /nfs/dbraw/zinc/60/01/37/584600137.db2.gz CVHDLVDTMMJZDP-CHWSQXEVSA-N 1 3 241.379 1.025 20 0 BDADHO C[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CN1C1CC1 ZINC000902474487 584602090 /nfs/dbraw/zinc/60/20/90/584602090.db2.gz FPECVYALCYHSLE-GGFUIZRSSA-N 1 3 235.375 1.094 20 0 BDADHO CC[C@H]([NH2+][C@H]1CNCC1(C)C)[C@H]1CCOC1 ZINC000902450136 584606353 /nfs/dbraw/zinc/60/63/53/584606353.db2.gz RBTWNPYTVJQKSX-SRVKXCTJSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CNCC1(C)C ZINC000902451834 584607331 /nfs/dbraw/zinc/60/73/31/584607331.db2.gz YJAAAMFZLGPKHP-AAEUAGOBSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454773 584609185 /nfs/dbraw/zinc/60/91/85/584609185.db2.gz VHQKLNGNTADZDP-WVAOPEQGSA-N 1 3 236.359 1.140 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454773 584609187 /nfs/dbraw/zinc/60/91/87/584609187.db2.gz VHQKLNGNTADZDP-WVAOPEQGSA-N 1 3 236.359 1.140 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)C1CNC1 ZINC000902455845 584609201 /nfs/dbraw/zinc/60/92/01/584609201.db2.gz ZLPZRLIIEGCDER-KOLCDFICSA-N 1 3 228.405 1.858 20 0 BDADHO CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468817 584615694 /nfs/dbraw/zinc/61/56/94/584615694.db2.gz WIEBLKPKJPFEFO-RQJABVFESA-N 1 3 248.374 1.390 20 0 BDADHO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902469222 584615748 /nfs/dbraw/zinc/61/57/48/584615748.db2.gz ZHLKRBOALATZSU-NAWOPXAZSA-N 1 3 208.349 1.904 20 0 BDADHO C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470259 584616601 /nfs/dbraw/zinc/61/66/01/584616601.db2.gz VNFWWUHNTLXKQT-ZOLYEBIHSA-N 1 3 206.333 1.658 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902482491 584623869 /nfs/dbraw/zinc/62/38/69/584623869.db2.gz LZUSOGRBJMZTKY-FRRDWIJNSA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@H](NC[C@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000902482472 584624236 /nfs/dbraw/zinc/62/42/36/584624236.db2.gz LPNUVOPDUOEEKB-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902482492 584624243 /nfs/dbraw/zinc/62/42/43/584624243.db2.gz LZUSOGRBJMZTKY-JHJVBQTASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487311 584625918 /nfs/dbraw/zinc/62/59/18/584625918.db2.gz SUEQTTJCBZMIQE-DBIOUOCHSA-N 1 3 220.320 1.216 20 0 BDADHO CCn1cc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902489896 584627620 /nfs/dbraw/zinc/62/76/20/584627620.db2.gz PZEHKUMBNFYSBL-CKYFFXLPSA-N 1 3 222.336 1.291 20 0 BDADHO Cc1ncccc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000902514077 584629420 /nfs/dbraw/zinc/62/94/20/584629420.db2.gz PPWLENIONUFZRS-NSHDSACASA-N 1 3 219.332 1.130 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H](C)C1CNC1 ZINC000902514077 584629422 /nfs/dbraw/zinc/62/94/22/584629422.db2.gz PPWLENIONUFZRS-NSHDSACASA-N 1 3 219.332 1.130 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000902514150 584629640 /nfs/dbraw/zinc/62/96/40/584629640.db2.gz RAALDYZRISFGJE-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000902514150 584629642 /nfs/dbraw/zinc/62/96/42/584629642.db2.gz RAALDYZRISFGJE-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO COC[C@H](CCC[NH3+])NC/C=C\Cl ZINC000902517976 584629852 /nfs/dbraw/zinc/62/98/52/584629852.db2.gz JNTRJKABXSEWSA-LVCFMKKZSA-N 1 3 206.717 1.082 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000902522475 584632222 /nfs/dbraw/zinc/63/22/22/584632222.db2.gz XOZJKJCYQPGZNS-QHSBEEBCSA-N 1 3 246.354 1.504 20 0 BDADHO CN(C)CCOCC[NH2+]C1CC2(CCC2)C1 ZINC000903157764 584731088 /nfs/dbraw/zinc/73/10/88/584731088.db2.gz OKDJPBUSXSUWPA-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO CCO[C@H](CN[C@H]1CCC[C@@H]1OC)C[NH+](C)C ZINC000903224270 584738030 /nfs/dbraw/zinc/73/80/30/584738030.db2.gz SYZCZXFLWXNKAY-AGIUHOORSA-N 1 3 244.379 1.110 20 0 BDADHO CN1CC[C@@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000903321537 584746954 /nfs/dbraw/zinc/74/69/54/584746954.db2.gz HEDVPJSMYZQXLZ-CQSZACIVSA-N 1 3 237.391 1.155 20 0 BDADHO CN1CC[C@@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000903321537 584746955 /nfs/dbraw/zinc/74/69/55/584746955.db2.gz HEDVPJSMYZQXLZ-CQSZACIVSA-N 1 3 237.391 1.155 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCc3ccc(O)cc3C2)C1 ZINC000903430853 584761394 /nfs/dbraw/zinc/76/13/94/584761394.db2.gz DXSZDQQPRUWVAU-SMDDNHRTSA-N 1 3 246.354 1.878 20 0 BDADHO CC[C@H](C)N(CC(=O)OC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457535 584764981 /nfs/dbraw/zinc/76/49/81/584764981.db2.gz WIYBPXFHELPBQC-TUAOUCFPSA-N 1 3 242.363 1.387 20 0 BDADHO C[C@@H](CO)[C@H]1CCCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464080 584767250 /nfs/dbraw/zinc/76/72/50/584767250.db2.gz YTUNUXHDOPTOQO-ZOBORPQBSA-N 1 3 240.391 1.325 20 0 BDADHO CC[C@@H]1C[C@H]1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000903464945 584767455 /nfs/dbraw/zinc/76/74/55/584767455.db2.gz ZWKZIOGTECERQO-YVECIDJPSA-N 1 3 208.349 1.846 20 0 BDADHO COC[C@H](CN1C[C@@H]2CCC[C@]2([NH3+])C1)C(C)C ZINC000903464590 584771951 /nfs/dbraw/zinc/77/19/51/584771951.db2.gz SRAPFVQBMYUROL-IHRRRGAJSA-N 1 3 240.391 1.718 20 0 BDADHO C(CN1CCCC[C@@]2(CC[NH2+]C2)C1)OC1CC1 ZINC000903481687 584778139 /nfs/dbraw/zinc/77/81/39/584778139.db2.gz JVYCAFKAQUFAND-AWEZNQCLSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1CC[NH3+] ZINC000903498315 584780226 /nfs/dbraw/zinc/78/02/26/584780226.db2.gz DNUODGPAKZMYSG-ZYHUDNBSSA-N 1 3 249.358 1.969 20 0 BDADHO C[C@H](O)CCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903730441 584793073 /nfs/dbraw/zinc/79/30/73/584793073.db2.gz WHFFVTWEJIZAGE-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO COC(=O)[C@H](C)CN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903752910 584796264 /nfs/dbraw/zinc/79/62/64/584796264.db2.gz PZVQODPPLDHYHU-NEPJUHHUSA-N 1 3 242.363 1.117 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1C[C@@H]1CCCC[NH2+]C1 ZINC000903762801 584797529 /nfs/dbraw/zinc/79/75/29/584797529.db2.gz DITBEDAAERIHJO-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO CNCCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000903827851 584805058 /nfs/dbraw/zinc/80/50/58/584805058.db2.gz YSZAPJJWIDNYKQ-RQJABVFESA-N 1 3 220.360 1.740 20 0 BDADHO CNCCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000903827851 584805059 /nfs/dbraw/zinc/80/50/59/584805059.db2.gz YSZAPJJWIDNYKQ-RQJABVFESA-N 1 3 220.360 1.740 20 0 BDADHO CCCN(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879764 584817111 /nfs/dbraw/zinc/81/71/11/584817111.db2.gz JFMNXFMBPQVDSR-GFCCVEGCSA-N 1 3 238.379 1.188 20 0 BDADHO CCC[C@](C)(CO)NC[C@H]([NH3+])CC(F)F ZINC000903898363 584819644 /nfs/dbraw/zinc/81/96/44/584819644.db2.gz KHODSSBXUOZEMZ-PSASIEDQSA-N 1 3 224.295 1.110 20 0 BDADHO NC[C@H]([NH2+]C[C@@H](N)CC(F)F)C1CCCC1 ZINC000903919066 584823181 /nfs/dbraw/zinc/82/31/81/584823181.db2.gz LEDMQGCSYQSFJF-UWVGGRQHSA-N 1 3 235.322 1.076 20 0 BDADHO CCN1CCCC[C@H]1C[NH2+]C[C@H](N)CC(F)F ZINC000903923144 584823836 /nfs/dbraw/zinc/82/38/36/584823836.db2.gz MNHOASYSHNPUSF-MNOVXSKESA-N 1 3 249.349 1.433 20 0 BDADHO COCC1(NC[C@@H]([NH3+])CC(F)F)CCCC1 ZINC000903934024 584825065 /nfs/dbraw/zinc/82/50/65/584825065.db2.gz YYXVCZPLHNITKZ-VIFPVBQESA-N 1 3 236.306 1.518 20 0 BDADHO Cn1nnc2cc(CNCCC(C)(C)[NH3+])ccc21 ZINC000903938826 584826792 /nfs/dbraw/zinc/82/67/92/584826792.db2.gz MCEGGTBZVFWYTK-UHFFFAOYSA-N 1 3 247.346 1.185 20 0 BDADHO Nc1ccnc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000903954775 584832273 /nfs/dbraw/zinc/83/22/73/584832273.db2.gz VJLBNYJVTFYQDH-GXSJLCMTSA-N 1 3 220.320 1.023 20 0 BDADHO C[C@@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000903987049 584835744 /nfs/dbraw/zinc/83/57/44/584835744.db2.gz XJOWVPCQVNZHSO-ASEORRQLSA-N 1 3 238.375 1.674 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCc3ccc(F)cc3C2)C1 ZINC000904321171 584864030 /nfs/dbraw/zinc/86/40/30/584864030.db2.gz VRLLTKYUPKIKSI-WJONMLJTSA-N 1 3 234.318 1.921 20 0 BDADHO C[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CC[C@H]1O ZINC000904341482 584867170 /nfs/dbraw/zinc/86/71/70/584867170.db2.gz RWKLUHKDQLUERY-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)CC[C@H]1O ZINC000904341482 584867171 /nfs/dbraw/zinc/86/71/71/584867171.db2.gz RWKLUHKDQLUERY-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)CC[C@H]1O ZINC000904341482 584867172 /nfs/dbraw/zinc/86/71/72/584867172.db2.gz RWKLUHKDQLUERY-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C2CC2)O1 ZINC000904342345 584867281 /nfs/dbraw/zinc/86/72/81/584867281.db2.gz DQYVGDGOYRRUQZ-YRRQLQLVSA-N 1 3 224.348 1.223 20 0 BDADHO C[N@H+](CCCCO)C[C@@]1(C)CCCNC1 ZINC000904341351 584867343 /nfs/dbraw/zinc/86/73/43/584867343.db2.gz OCYMJTGAJOMLQG-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO C[N@@H+](CCCCO)C[C@@]1(C)CCCNC1 ZINC000904341351 584867345 /nfs/dbraw/zinc/86/73/45/584867345.db2.gz OCYMJTGAJOMLQG-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CCC[C@@]1(C)CO ZINC000904341528 584867556 /nfs/dbraw/zinc/86/75/56/584867556.db2.gz UCDXAQVADDDFGO-JSGCOSHPSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@H+]1CCC[C@@]1(C)CO ZINC000904341528 584867557 /nfs/dbraw/zinc/86/75/57/584867557.db2.gz UCDXAQVADDDFGO-JSGCOSHPSA-N 1 3 242.407 1.987 20 0 BDADHO [NH3+]C[C@@H]1CC[C@H](NCc2nccn2C2CC2)C1 ZINC000904355363 584871030 /nfs/dbraw/zinc/87/10/30/584871030.db2.gz QTISNDZILUFHNX-MNOVXSKESA-N 1 3 234.347 1.435 20 0 BDADHO CC1(CNCc2nccn2C2CC2)CC[NH2+]CC1 ZINC000904355581 584871199 /nfs/dbraw/zinc/87/11/99/584871199.db2.gz PGRQMZQKHDFCSA-UHFFFAOYSA-N 1 3 248.374 1.697 20 0 BDADHO CC1(C)C[C@@H](O)CN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904383928 584877317 /nfs/dbraw/zinc/87/73/17/584877317.db2.gz DDWVXYZLCTUESB-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@@H](O)C[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904383928 584877319 /nfs/dbraw/zinc/87/73/19/584877319.db2.gz DDWVXYZLCTUESB-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@@H](O)C[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904383928 584877321 /nfs/dbraw/zinc/87/73/21/584877321.db2.gz DDWVXYZLCTUESB-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@@H](O)CN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904383929 584877367 /nfs/dbraw/zinc/87/73/67/584877367.db2.gz DDWVXYZLCTUESB-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@@H](O)C[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904383929 584877368 /nfs/dbraw/zinc/87/73/68/584877368.db2.gz DDWVXYZLCTUESB-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[C@@H](O)C[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904383929 584877370 /nfs/dbraw/zinc/87/73/70/584877370.db2.gz DDWVXYZLCTUESB-TZMCWYRMSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCN1C ZINC000761079510 585406801 /nfs/dbraw/zinc/40/68/01/585406801.db2.gz ZXMDERBLMWPIFG-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)CCN1C ZINC000761079510 585406802 /nfs/dbraw/zinc/40/68/02/585406802.db2.gz ZXMDERBLMWPIFG-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOC2CCC2)[C@H](C)C1 ZINC000777119739 585708726 /nfs/dbraw/zinc/70/87/26/585708726.db2.gz CQQROETWMFFOTO-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOC2CCC2)[C@H](C)C1 ZINC000777119739 585708727 /nfs/dbraw/zinc/70/87/27/585708727.db2.gz CQQROETWMFFOTO-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CC[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000783213109 585830940 /nfs/dbraw/zinc/83/09/40/585830940.db2.gz UPGNTJCOMFVRBG-TZMCWYRMSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)C(=O)CCN1CCC(C[NH+](C)C)CC1 ZINC000808709433 586483243 /nfs/dbraw/zinc/48/32/43/586483243.db2.gz ASRCDQWONHAHKD-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C)C1 ZINC000817888104 586832288 /nfs/dbraw/zinc/83/22/88/586832288.db2.gz APGVWMCURJWDGY-QEJZJMRPSA-N 1 3 247.386 1.239 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CCN(C)C1 ZINC000817888104 586832290 /nfs/dbraw/zinc/83/22/90/586832290.db2.gz APGVWMCURJWDGY-QEJZJMRPSA-N 1 3 247.386 1.239 20 0 BDADHO CCc1cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])n[nH]1 ZINC000817893772 586833574 /nfs/dbraw/zinc/83/35/74/586833574.db2.gz VMWFPFLUSFWZLN-ZWNOBZJWSA-N 1 3 236.363 1.579 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1cccnc1 ZINC000817894430 586833667 /nfs/dbraw/zinc/83/36/67/586833667.db2.gz YTEMFCZULAGTOQ-OCCSQVGLSA-N 1 3 249.358 1.568 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1cccnc1 ZINC000817894428 586833790 /nfs/dbraw/zinc/83/37/90/586833790.db2.gz YTEMFCZULAGTOQ-GXTWGEPZSA-N 1 3 249.358 1.568 20 0 BDADHO CCc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])n[nH]1 ZINC000817893769 586834010 /nfs/dbraw/zinc/83/40/10/586834010.db2.gz VMWFPFLUSFWZLN-GWCFXTLKSA-N 1 3 236.363 1.579 20 0 BDADHO CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000817893230 586834433 /nfs/dbraw/zinc/83/44/33/586834433.db2.gz CZJQTYLBJVVSLX-JHJVBQTASA-N 1 3 228.380 1.909 20 0 BDADHO CS[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000817897162 586834965 /nfs/dbraw/zinc/83/49/65/586834965.db2.gz GJTQOTPHOZWMPD-WRWGMCAJSA-N 1 3 228.405 1.858 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCNc1ccccc1 ZINC000817901474 586836384 /nfs/dbraw/zinc/83/63/84/586836384.db2.gz WJSJJCPPFBXZBD-CHWSQXEVSA-N 1 3 219.332 1.568 20 0 BDADHO CC(C)C[C@H](O)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000817906034 586836997 /nfs/dbraw/zinc/83/69/97/586836997.db2.gz SFEIRYYYQINATM-MXWKQRLJSA-N 1 3 202.342 1.109 20 0 BDADHO C[C@H](NCCN1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912350 586838476 /nfs/dbraw/zinc/83/84/76/586838476.db2.gz GJFOLGAYJMAQTG-FRRDWIJNSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@](C)(O)c1cccs1 ZINC000817911453 586838677 /nfs/dbraw/zinc/83/86/77/586838677.db2.gz AQSAXXHTWJWXEY-JBLDHEPKSA-N 1 3 242.388 1.671 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913805 586839211 /nfs/dbraw/zinc/83/92/11/586839211.db2.gz SWADAPKEYKFGFC-AHPWVWPOSA-N 1 3 240.391 1.658 20 0 BDADHO C(N[C@@H]1CC[C@@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949632 586847118 /nfs/dbraw/zinc/84/71/18/586847118.db2.gz LCQKKHUJDAVYSL-JHJVBQTASA-N 1 3 208.349 1.907 20 0 BDADHO CCNCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000818525037 586897294 /nfs/dbraw/zinc/89/72/94/586897294.db2.gz VIUCNFKLHNNXNU-VIFPVBQESA-N 1 3 221.304 1.254 20 0 BDADHO C[C@H](CCNC[C@@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231514 586941272 /nfs/dbraw/zinc/94/12/72/586941272.db2.gz XNUZXQUTSVUHQD-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CC[NH2+]C[C@@H](O)C1CC1)N1CCCCC1 ZINC000819231514 586941275 /nfs/dbraw/zinc/94/12/75/586941275.db2.gz XNUZXQUTSVUHQD-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)O)c1cccc(CN(C)C)c1 ZINC000820803372 587072983 /nfs/dbraw/zinc/07/29/83/587072983.db2.gz OBIUWAFBAOGTAC-NWDGAFQWSA-N 1 3 236.359 1.780 20 0 BDADHO CCCCCCN(C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000832726321 587679895 /nfs/dbraw/zinc/67/98/95/587679895.db2.gz OEENKDDHYXLACY-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO NCc1cccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000834861520 587768877 /nfs/dbraw/zinc/76/88/77/587768877.db2.gz JDMCHPRZMSQVJY-AAEUAGOBSA-N 1 3 247.342 1.003 20 0 BDADHO CNCc1cccc(NC(=O)CCCCC[NH3+])c1 ZINC000841846553 587977135 /nfs/dbraw/zinc/97/71/35/587977135.db2.gz XUYFIAZYCFTIFN-UHFFFAOYSA-N 1 3 249.358 1.864 20 0 BDADHO CCc1nc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)co1 ZINC000843339838 588100534 /nfs/dbraw/zinc/10/05/34/588100534.db2.gz HHXIZDXEXDXIQC-GRYCIOLGSA-N 1 3 249.358 1.715 20 0 BDADHO Fc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843339652 588100595 /nfs/dbraw/zinc/10/05/95/588100595.db2.gz CFLDXBRNCCZGSF-WCFLWFBJSA-N 1 3 249.333 1.698 20 0 BDADHO Cc1cc([C@@H](C)NCCCCCC[NH3+])nn1C ZINC000843340658 588101001 /nfs/dbraw/zinc/10/10/01/588101001.db2.gz DCAZRQBEJYLOEK-GFCCVEGCSA-N 1 3 238.379 1.898 20 0 BDADHO Cc1nccnc1[C@H](C)NCCCCCC[NH3+] ZINC000843342823 588101638 /nfs/dbraw/zinc/10/16/38/588101638.db2.gz UUSWUNVLPQYVOK-NSHDSACASA-N 1 3 236.363 1.955 20 0 BDADHO NCc1cccc(C(=O)NCCCCCC[NH3+])c1 ZINC000843511684 588117590 /nfs/dbraw/zinc/11/75/90/588117590.db2.gz HJPFPCZRVASJBW-UHFFFAOYSA-N 1 3 249.358 1.394 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000846218853 588259666 /nfs/dbraw/zinc/25/96/66/588259666.db2.gz YYJBZAZCJNAQTJ-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC2(CCCC2)C1 ZINC000846218853 588259667 /nfs/dbraw/zinc/25/96/67/588259667.db2.gz YYJBZAZCJNAQTJ-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC2(CCCC2)C1 ZINC000846218853 588259668 /nfs/dbraw/zinc/25/96/68/588259668.db2.gz YYJBZAZCJNAQTJ-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO CN(CCC[NH3+])[C@H]1C[C@H]1c1ccccc1 ZINC000846222013 588261285 /nfs/dbraw/zinc/26/12/85/588261285.db2.gz KHCDUOHRJVKMOI-STQMWFEESA-N 1 3 204.317 1.823 20 0 BDADHO CN[C@@H](C)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000848393791 588376234 /nfs/dbraw/zinc/37/62/34/588376234.db2.gz BOVJHKCSIRKNLM-JTQLQIEISA-N 1 3 247.342 1.032 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000848719922 588406247 /nfs/dbraw/zinc/40/62/47/588406247.db2.gz OUPDHIBETOWVNB-WOPDTQHZSA-N 1 3 212.337 1.007 20 0 BDADHO CC(C)N(CCNC(=[NH2+])N1CCC1)C(C)C ZINC000848981022 588423535 /nfs/dbraw/zinc/42/35/35/588423535.db2.gz WQMCPFKWRYNJKY-UHFFFAOYSA-N 1 3 226.368 1.335 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NC[C@H](CC)N1CCCC1 ZINC000848986461 588425565 /nfs/dbraw/zinc/42/55/65/588425565.db2.gz URXOTZNPAJVYFK-RYUDHWBXSA-N 1 3 240.395 1.773 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000848987278 588426267 /nfs/dbraw/zinc/42/62/67/588426267.db2.gz WXOMLJACCBEQHJ-WDEREUQCSA-N 1 3 226.368 1.383 20 0 BDADHO CN1CC=C(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000849017065 588437419 /nfs/dbraw/zinc/43/74/19/588437419.db2.gz ZMCNMWWCFHYILW-UHFFFAOYSA-N 1 3 236.363 1.259 20 0 BDADHO CCCNC(=[NH2+])NCCN1CCCC1(C)C ZINC000849038962 588446592 /nfs/dbraw/zinc/44/65/92/588446592.db2.gz ATYHXVDHPWWJDE-UHFFFAOYSA-N 1 3 226.368 1.385 20 0 BDADHO c1nnn([C@H]2CCC[NH2+]C2)c1CNC1CCCC1 ZINC000849133293 588452949 /nfs/dbraw/zinc/45/29/49/588452949.db2.gz NEAJKZZAMLZRCM-LBPRGKRZSA-N 1 3 249.362 1.235 20 0 BDADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CNC1CCCC1 ZINC000849133292 588453167 /nfs/dbraw/zinc/45/31/67/588453167.db2.gz NEAJKZZAMLZRCM-GFCCVEGCSA-N 1 3 249.362 1.235 20 0 BDADHO CO[C@H]1CC[C@@H](N(C)CCC[NH+]2CCCC2)C1 ZINC000852009086 588654626 /nfs/dbraw/zinc/65/46/26/588654626.db2.gz YCVPPNRWMYRLAV-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH2+]CCC1CCN(CCOC(F)F)CC1 ZINC000852746904 588698988 /nfs/dbraw/zinc/69/89/88/588698988.db2.gz UGSAFDKMSSSCAY-UHFFFAOYSA-N 1 3 236.306 1.547 20 0 BDADHO C[C@@H]1CC([NH2+][C@@H]2CCNC23CCC3)C[C@@H](C)O1 ZINC000863483055 589292747 /nfs/dbraw/zinc/29/27/47/589292747.db2.gz POYYYZCHYOKUQE-NQBHXWOUSA-N 1 3 238.375 1.817 20 0 BDADHO COC(=O)C1=CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000863541456 589297170 /nfs/dbraw/zinc/29/71/70/589297170.db2.gz IXTBZLVADVWPDR-WOPDTQHZSA-N 1 3 238.331 1.108 20 0 BDADHO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000863541456 589297171 /nfs/dbraw/zinc/29/71/71/589297171.db2.gz IXTBZLVADVWPDR-WOPDTQHZSA-N 1 3 238.331 1.108 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCc2[nH]ncc21 ZINC000863543715 589297188 /nfs/dbraw/zinc/29/71/88/589297188.db2.gz WIYMJYNFIRGFHL-GMXVVIOVSA-N 1 3 234.347 1.517 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548502 589298343 /nfs/dbraw/zinc/29/83/43/589298343.db2.gz YIICMUKXWPJZTG-JHJVBQTASA-N 1 3 238.375 1.676 20 0 BDADHO Cc1ccc2c(c1)CC[C@@H]2NCCOCCC[NH3+] ZINC000863548039 589298449 /nfs/dbraw/zinc/29/84/49/589298449.db2.gz UHAWWHCWYBYECD-HNNXBMFYSA-N 1 3 248.370 1.937 20 0 BDADHO CC[C@@H]1CCN(C(=[NH2+])NCCCN(C)C)C1 ZINC000864452906 589365753 /nfs/dbraw/zinc/36/57/53/589365753.db2.gz UJPWCSUCBGDAPO-LLVKDONJSA-N 1 3 226.368 1.194 20 0 BDADHO C[C@H](CNC(=[NH2+])NCCC1CC1)N1CCCC1 ZINC000864453325 589366166 /nfs/dbraw/zinc/36/61/66/589366166.db2.gz MMMVAWXWCVCZGW-LLVKDONJSA-N 1 3 238.379 1.385 20 0 BDADHO CN1CCC[C@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864458985 589368567 /nfs/dbraw/zinc/36/85/67/589368567.db2.gz XQDSRMQPFCBMCS-GFCCVEGCSA-N 1 3 238.379 1.242 20 0 BDADHO C[C@@H]1C[C@H]1NC(=[NH2+])NCCN1CCCC1(C)C ZINC000864465671 589371085 /nfs/dbraw/zinc/37/10/85/589371085.db2.gz BLBTWITYUYJNLT-GHMZBOCLSA-N 1 3 238.379 1.383 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@H](C)CN(C)C ZINC000864466340 589371333 /nfs/dbraw/zinc/37/13/33/589371333.db2.gz HZZMUNNJWKYLGZ-JTQLQIEISA-N 1 3 228.384 1.487 20 0 BDADHO Cc1cc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)ccn1 ZINC000866206664 589479942 /nfs/dbraw/zinc/47/99/42/589479942.db2.gz FHIMKCTUQNIHBA-JSGCOSHPSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cc(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206664 589479943 /nfs/dbraw/zinc/47/99/43/589479943.db2.gz FHIMKCTUQNIHBA-JSGCOSHPSA-N 1 3 231.343 1.920 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000866585430 589501595 /nfs/dbraw/zinc/50/15/95/589501595.db2.gz XYWIALXVWAQLIS-YPMHNXCESA-N 1 3 208.349 1.955 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000866585430 589501596 /nfs/dbraw/zinc/50/15/96/589501596.db2.gz XYWIALXVWAQLIS-YPMHNXCESA-N 1 3 208.349 1.955 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](CN)C1 ZINC000866658842 589508415 /nfs/dbraw/zinc/50/84/15/589508415.db2.gz BKMKCURKOVVUPA-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](CN)C1 ZINC000866658842 589508417 /nfs/dbraw/zinc/50/84/17/589508417.db2.gz BKMKCURKOVVUPA-TUAOUCFPSA-N 1 3 212.337 1.082 20 0 BDADHO CC1(C)C[C@H](O)CN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000866704325 589514039 /nfs/dbraw/zinc/51/40/39/589514039.db2.gz SSVYOGQFPQVMEW-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[C@H](O)C[N@H+](C[C@@H]2CCCNC2)C1 ZINC000866704325 589514040 /nfs/dbraw/zinc/51/40/40/589514040.db2.gz SSVYOGQFPQVMEW-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[C@H](O)C[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000866704325 589514041 /nfs/dbraw/zinc/51/40/41/589514041.db2.gz SSVYOGQFPQVMEW-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO COC[C@@H](C)[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866706217 589514432 /nfs/dbraw/zinc/51/44/32/589514432.db2.gz NGRBMERKKSLHGX-YPMHNXCESA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@@H](C)[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866706217 589514433 /nfs/dbraw/zinc/51/44/33/589514433.db2.gz NGRBMERKKSLHGX-YPMHNXCESA-N 1 3 228.380 1.718 20 0 BDADHO NCc1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870932532 589698139 /nfs/dbraw/zinc/69/81/39/589698139.db2.gz HKKPEZPBNFQJKD-SUNKGSAMSA-N 1 3 245.326 1.211 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141800 589882661 /nfs/dbraw/zinc/88/26/61/589882661.db2.gz TYXHQJXPBWBLBX-VXGBXAGGSA-N 1 3 224.348 1.226 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CC2(CCC2)CO1 ZINC000872144663 589883828 /nfs/dbraw/zinc/88/38/28/589883828.db2.gz IHPLYBZIBPWUHA-JHJVBQTASA-N 1 3 238.375 1.805 20 0 BDADHO CC1(C)CO[C@@H](CN[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000872144478 589883960 /nfs/dbraw/zinc/88/39/60/589883960.db2.gz GDZQRYFBYXTKCO-IJLUTSLNSA-N 1 3 226.364 1.661 20 0 BDADHO CCC1(C[NH2+][C@H]2CCNCC(C)(C)C2)COC1 ZINC000872251749 589900329 /nfs/dbraw/zinc/90/03/29/589900329.db2.gz MFOGWJUTJLKVQT-LBPRGKRZSA-N 1 3 240.391 1.781 20 0 BDADHO COCCC1([NH2+]C[C@H]2C[C@H]2C)CCNCC1 ZINC000873224475 590001174 /nfs/dbraw/zinc/00/11/74/590001174.db2.gz CMABJLYWNGBFHI-VXGBXAGGSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237562 590004471 /nfs/dbraw/zinc/00/44/71/590004471.db2.gz QYXAOSVTMRVCDE-AGIUHOORSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)C1CNC1 ZINC000873251130 590008451 /nfs/dbraw/zinc/00/84/51/590008451.db2.gz JIBCQHTYSVTALF-JKOKRWQUSA-N 1 3 238.375 1.247 20 0 BDADHO Cc1nccnc1[C@@H](C)NC[C@H]1C[C@H]([NH3+])C1 ZINC000873258673 590012843 /nfs/dbraw/zinc/01/28/43/590012843.db2.gz UTVQYQASFSVLTF-GMTAPVOTSA-N 1 3 220.320 1.173 20 0 BDADHO Cc1nccnc1[C@H](C)NC[C@H]1C[C@H]([NH3+])C1 ZINC000873258672 590013077 /nfs/dbraw/zinc/01/30/77/590013077.db2.gz UTVQYQASFSVLTF-DCAQKATOSA-N 1 3 220.320 1.173 20 0 BDADHO CN1Cc2ccccc2[C@@H]1C[NH2+][C@@H]1CCC[C@H]1N ZINC000873266787 590015542 /nfs/dbraw/zinc/01/55/42/590015542.db2.gz QNOZSFUPUXFVAX-KFWWJZLASA-N 1 3 245.370 1.643 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282261 590018934 /nfs/dbraw/zinc/01/89/34/590018934.db2.gz GPRYQPFWHLBSIS-WOPDTQHZSA-N 1 3 240.347 1.047 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCCCCCC[NH3+] ZINC000876938142 590258851 /nfs/dbraw/zinc/25/88/51/590258851.db2.gz RMTMIKOJMKYMMI-GFCCVEGCSA-N 1 3 243.395 1.385 20 0 BDADHO CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCN(CC)C1)OC ZINC000876942695 590259404 /nfs/dbraw/zinc/25/94/04/590259404.db2.gz BTQCPWLZVZSSDM-MELADBBJSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@@H](CNC[C@@H]1CC[N@H+](CC)C1)OC ZINC000876942695 590259405 /nfs/dbraw/zinc/25/94/05/590259405.db2.gz BTQCPWLZVZSSDM-MELADBBJSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](C)[C@@H](CNC[C@@H]1CC[N@@H+](CC)C1)OC ZINC000876942695 590259406 /nfs/dbraw/zinc/25/94/06/590259406.db2.gz BTQCPWLZVZSSDM-MELADBBJSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[C@H](N)c1ccccc1 ZINC000877095718 590281786 /nfs/dbraw/zinc/28/17/86/590281786.db2.gz PKCBOPOKLKISIC-LOWVWBTDSA-N 1 3 249.358 1.128 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000877103537 590284061 /nfs/dbraw/zinc/28/40/61/590284061.db2.gz WYBSHRHMRBYFFH-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000877104033 590284239 /nfs/dbraw/zinc/28/42/39/590284239.db2.gz ZYXJBMLHHZASJH-NSHDSACASA-N 1 3 249.358 1.167 20 0 BDADHO CC[C@H](C(=O)N(C)CCCCCC[NH3+])N(C)C ZINC000877436985 590328065 /nfs/dbraw/zinc/32/80/65/590328065.db2.gz QXIZXPOXAKPYJH-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CC[C@](C)(CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877743483 590411379 /nfs/dbraw/zinc/41/13/79/590411379.db2.gz WGQPEGDZYBIFOT-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@](C)(CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877743483 590411380 /nfs/dbraw/zinc/41/13/80/590411380.db2.gz WGQPEGDZYBIFOT-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)[C@@H](O)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000878105158 590494422 /nfs/dbraw/zinc/49/44/22/590494422.db2.gz XFEWNDVNBZFSOG-OLZOCXBDSA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)[C@H](O)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000878105159 590495188 /nfs/dbraw/zinc/49/51/88/590495188.db2.gz XFEWNDVNBZFSOG-QWHCGFSZSA-N 1 3 228.380 1.277 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000879320215 590739873 /nfs/dbraw/zinc/73/98/73/590739873.db2.gz DPWBIFKQQQMUKW-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000879320215 590739874 /nfs/dbraw/zinc/73/98/74/590739874.db2.gz DPWBIFKQQQMUKW-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1)OC ZINC000879581296 590803093 /nfs/dbraw/zinc/80/30/93/590803093.db2.gz XULYMWANUNYLQU-XQQFMLRXSA-N 1 3 226.364 1.437 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1)OC ZINC000879581296 590803096 /nfs/dbraw/zinc/80/30/96/590803096.db2.gz XULYMWANUNYLQU-XQQFMLRXSA-N 1 3 226.364 1.437 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570786 590811083 /nfs/dbraw/zinc/81/10/83/590811083.db2.gz FTVMTJHFUJUMPN-AAVRWANBSA-N 1 3 238.375 1.316 20 0 BDADHO C[N@H+]1CC[C@@H]2CN([C@@H]3CCCC[C@H]3O)CC[C@H]21 ZINC000879570786 590811086 /nfs/dbraw/zinc/81/10/86/590811086.db2.gz FTVMTJHFUJUMPN-AAVRWANBSA-N 1 3 238.375 1.316 20 0 BDADHO CC1([NH+]2CCC2)CCN(CC2CC2)CC1 ZINC000880472967 591053949 /nfs/dbraw/zinc/05/39/49/591053949.db2.gz KCLOQTNYZAJGSE-UHFFFAOYSA-N 1 3 208.349 1.957 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000131112564 591554347 /nfs/dbraw/zinc/55/43/47/591554347.db2.gz ROSPFJYZWWZHMW-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO c1ncc2c(n1)CCN(CC[C@H]1CCC[NH2+]C1)C2 ZINC000883461691 591673639 /nfs/dbraw/zinc/67/36/39/591673639.db2.gz BATKZGTUDAQNHY-GFCCVEGCSA-N 1 3 246.358 1.224 20 0 BDADHO CC[C@@H](O)C[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000886710987 592308586 /nfs/dbraw/zinc/30/85/86/592308586.db2.gz KVZFARAOJNBHGZ-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C[NH2+]C1CCN(C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886827626 592349888 /nfs/dbraw/zinc/34/98/88/592349888.db2.gz OKUSOSPLSYJPKG-DGCLKSJQSA-N 1 3 224.348 1.097 20 0 BDADHO CNC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886827626 592349890 /nfs/dbraw/zinc/34/98/90/592349890.db2.gz OKUSOSPLSYJPKG-DGCLKSJQSA-N 1 3 224.348 1.097 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000886829762 592351147 /nfs/dbraw/zinc/35/11/47/592351147.db2.gz GTPCWQMKYFMVQP-RDBSUJKOSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1N ZINC000886829438 592351908 /nfs/dbraw/zinc/35/19/08/592351908.db2.gz AFSBHTZEDXHHDU-YVECIDJPSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1N ZINC000886829438 592351909 /nfs/dbraw/zinc/35/19/09/592351909.db2.gz AFSBHTZEDXHHDU-YVECIDJPSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1CN(C[C@@H]2C[C@@]23CCOC3)CC[C@H]1[NH3+] ZINC000886829438 592351912 /nfs/dbraw/zinc/35/19/12/592351912.db2.gz AFSBHTZEDXHHDU-YVECIDJPSA-N 1 3 224.348 1.082 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000886829761 592352158 /nfs/dbraw/zinc/35/21/58/592352158.db2.gz GTPCWQMKYFMVQP-MJBXVCDLSA-N 1 3 240.391 1.907 20 0 BDADHO CC1([NH3+])CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886834811 592357334 /nfs/dbraw/zinc/35/73/34/592357334.db2.gz CZUHZJVBUHJGJU-WCQYABFASA-N 1 3 224.348 1.226 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886839843 592361546 /nfs/dbraw/zinc/36/15/46/592361546.db2.gz NGVKUTUNNVNHHS-OBJOEFQTSA-N 1 3 238.375 1.391 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734792 592445278 /nfs/dbraw/zinc/44/52/78/592445278.db2.gz MMILFXRAWYPNRF-VHDGCEQUSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734792 592445282 /nfs/dbraw/zinc/44/52/82/592445282.db2.gz MMILFXRAWYPNRF-VHDGCEQUSA-N 1 3 248.370 1.792 20 0 BDADHO [NH2+]=C(NCCN1CCCCCC1)NCC(F)F ZINC000887348469 592484732 /nfs/dbraw/zinc/48/47/32/592484732.db2.gz JWLPOZHPWKLMLX-UHFFFAOYSA-N 1 3 248.321 1.241 20 0 BDADHO Cn1nccc1CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300064746 592502132 /nfs/dbraw/zinc/50/21/32/592502132.db2.gz MMPSGKNJRDOAKP-OCCSQVGLSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1nccc1CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300064746 592502135 /nfs/dbraw/zinc/50/21/35/592502135.db2.gz MMPSGKNJRDOAKP-OCCSQVGLSA-N 1 3 248.374 1.179 20 0 BDADHO FC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000258153355 634578878 /nfs/dbraw/zinc/57/88/78/634578878.db2.gz SDSOAENSQJQTED-JTQLQIEISA-N 1 3 200.301 1.420 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000925858791 635550786 /nfs/dbraw/zinc/55/07/86/635550786.db2.gz OVRMGWXOAQAVKH-WOPDTQHZSA-N 1 3 214.353 1.255 20 0 BDADHO CC1(C)CN(CCCCCC[NH3+])CCO1 ZINC000036232725 635556425 /nfs/dbraw/zinc/55/64/25/635556425.db2.gz UYCUEUDWEPBUJK-UHFFFAOYSA-N 1 3 214.353 1.616 20 0 BDADHO CCCCN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000308726496 631555815 /nfs/dbraw/zinc/55/58/15/631555815.db2.gz LTRJLBFAPWELSB-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO NCC(C[NH3+])NCc1cc(Cl)ccc1Cl ZINC000309326846 632006317 /nfs/dbraw/zinc/00/63/17/632006317.db2.gz IGUMAAZMXXLGMV-UHFFFAOYSA-N 1 3 248.157 1.369 20 0 BDADHO CCCNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000052040831 632051703 /nfs/dbraw/zinc/05/17/03/632051703.db2.gz VDJIQDQCQBFUAB-UHFFFAOYSA-N 1 3 228.384 1.629 20 0 BDADHO CN1CCN(C[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000250786314 635701753 /nfs/dbraw/zinc/70/17/53/635701753.db2.gz GEJIUTIDKQXZGU-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO CCn1nccc1CN(C)C1CCC([NH3+])CC1 ZINC000157106039 632415585 /nfs/dbraw/zinc/41/55/85/632415585.db2.gz ZFDULLYPSBJGRF-UHFFFAOYSA-N 1 3 236.363 1.605 20 0 BDADHO CC(C)CCN1CCC([NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000926553068 632493861 /nfs/dbraw/zinc/49/38/61/632493861.db2.gz YAQOAHYLJPVADF-OKILXGFUSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)CC[NH+]1CCC(N[C@H]2C[C@@H](O)C2)CC1 ZINC000926553068 632493866 /nfs/dbraw/zinc/49/38/66/632493866.db2.gz YAQOAHYLJPVADF-OKILXGFUSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](N)[C@@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000925509916 633848925 /nfs/dbraw/zinc/84/89/25/633848925.db2.gz PVHJBVOHQNXWIQ-TZMCWYRMSA-N 1 3 244.342 1.561 20 0 BDADHO CC[NH+]1CCC(NCCOC2CCC2)CC1 ZINC000309975589 634055823 /nfs/dbraw/zinc/05/58/23/634055823.db2.gz SKRWQQKLNNBTHB-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO Cn1cc(CCCN[C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925576898 634079052 /nfs/dbraw/zinc/07/90/52/634079052.db2.gz LCAGMZZWGBFZBB-STQMWFEESA-N 1 3 248.374 1.212 20 0 BDADHO C[C@H](O)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925610645 634148360 /nfs/dbraw/zinc/14/83/60/634148360.db2.gz IPBKKDKOVLQIOX-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](O)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925610645 634148362 /nfs/dbraw/zinc/14/83/62/634148362.db2.gz IPBKKDKOVLQIOX-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925661950 634226071 /nfs/dbraw/zinc/22/60/71/634226071.db2.gz FTSVTDKEGDEKLF-RVMXOQNASA-N 1 3 238.375 1.804 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925684389 634295466 /nfs/dbraw/zinc/29/54/66/634295466.db2.gz AMZSQCBFUDMJQY-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689467 634309087 /nfs/dbraw/zinc/30/90/87/634309087.db2.gz AAIDLAQBPJFQGN-ZJUUUORDSA-N 1 3 208.309 1.060 20 0 BDADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2C[C@@H](O)C2)C1 ZINC000925695456 634347810 /nfs/dbraw/zinc/34/78/10/634347810.db2.gz XASBXICYWZDQEM-DBIOUOCHSA-N 1 3 212.337 1.005 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925701789 634376173 /nfs/dbraw/zinc/37/61/73/634376173.db2.gz FTSVTDKEGDEKLF-FDYHWXHSSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H](Cc1cnccn1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000925777497 635260938 /nfs/dbraw/zinc/26/09/38/635260938.db2.gz FBFQNJUEIONYBD-UTUOFQBUSA-N 1 3 234.347 1.267 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000167628297 635384054 /nfs/dbraw/zinc/38/40/54/635384054.db2.gz BRYMXAAMAAUUIW-RDBSUJKOSA-N 1 3 238.375 1.173 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000167628297 635384061 /nfs/dbraw/zinc/38/40/61/635384061.db2.gz BRYMXAAMAAUUIW-RDBSUJKOSA-N 1 3 238.375 1.173 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H]2CCCCO2)C1 ZINC000036231121 635553142 /nfs/dbraw/zinc/55/31/42/635553142.db2.gz SIKLNFQMZFYTHT-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO CC[NH+](CC)C[C@H](C)Nc1cc(C)nc(N)n1 ZINC000109746065 636654575 /nfs/dbraw/zinc/65/45/75/636654575.db2.gz KIJVIEDHIRPAFO-JTQLQIEISA-N 1 3 237.351 1.509 20 0 BDADHO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089145901 636904597 /nfs/dbraw/zinc/90/45/97/636904597.db2.gz BPBYEYCGWVYFNY-VXGBXAGGSA-N 1 3 241.379 1.010 20 0 BDADHO CCCNC(=O)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089145901 636904601 /nfs/dbraw/zinc/90/46/01/636904601.db2.gz BPBYEYCGWVYFNY-VXGBXAGGSA-N 1 3 241.379 1.010 20 0 BDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCc1cccnc1 ZINC000054602170 637035088 /nfs/dbraw/zinc/03/50/88/637035088.db2.gz WEXODDIOVGMFLB-GOOCMWNKSA-N 1 3 245.370 1.968 20 0 BDADHO CC(C)(C)OC[C@@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000903565381 637371351 /nfs/dbraw/zinc/37/13/51/637371351.db2.gz IOEFPVSRINWHQK-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cn(C)nc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000903789632 637383243 /nfs/dbraw/zinc/38/32/43/637383243.db2.gz YPZGYMZHAKKUSN-JQWIXIFHSA-N 1 3 236.363 1.145 20 0 BDADHO Cc1nc2ccccn2c1C[NH2+]CC1(N)CC1 ZINC000904450249 637416963 /nfs/dbraw/zinc/41/69/63/637416963.db2.gz PUIVIORCGFACOS-UHFFFAOYSA-N 1 3 230.315 1.224 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+][C@]1(C)CCNC1=O ZINC000904469176 637423636 /nfs/dbraw/zinc/42/36/36/637423636.db2.gz JDQROVRTXGEOQE-GXFFZTMASA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H]1COC[C@@H]1C1CC1 ZINC000904475124 637425529 /nfs/dbraw/zinc/42/55/29/637425529.db2.gz ISTGYNQRZMGIGN-CABNGKKXSA-N 1 3 238.375 1.532 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+]C1CC(N)C1)C2 ZINC000906511061 638184623 /nfs/dbraw/zinc/18/46/23/638184623.db2.gz RNHMSJOKMJFXFZ-OTTFEQOBSA-N 1 3 246.354 1.632 20 0 BDADHO COc1cccc2c1CC[C@@H](NC1CC([NH3+])C1)C2 ZINC000906511061 638184627 /nfs/dbraw/zinc/18/46/27/638184627.db2.gz RNHMSJOKMJFXFZ-OTTFEQOBSA-N 1 3 246.354 1.632 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000906518863 638187205 /nfs/dbraw/zinc/18/72/05/638187205.db2.gz SPRHKVXTBVZLFD-XUXIUFHCSA-N 1 3 216.328 1.869 20 0 BDADHO [NH3+][C@H]1C[C@H](NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000906518863 638187207 /nfs/dbraw/zinc/18/72/07/638187207.db2.gz SPRHKVXTBVZLFD-XUXIUFHCSA-N 1 3 216.328 1.869 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867870 639852631 /nfs/dbraw/zinc/85/26/31/639852631.db2.gz NVCMDZGZFDHHMS-WDEREUQCSA-N 1 3 243.395 1.193 20 0 BDADHO C[NH+]1C[C@@]2(C)CN(CCCF)C[C@]2(C)C1 ZINC000931311773 640147651 /nfs/dbraw/zinc/14/76/51/640147651.db2.gz STKJEKCBKLCWDA-RYUDHWBXSA-N 1 3 214.328 1.620 20 0 BDADHO CO[C@H](C)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310807 640145543 /nfs/dbraw/zinc/14/55/43/640145543.db2.gz HZQMRELEFHCWEG-JHJVBQTASA-N 1 3 226.364 1.295 20 0 BDADHO C[NH+](C)C1(C)CCN(C[C@@H]2CCCOC2)CC1 ZINC000931351111 640168598 /nfs/dbraw/zinc/16/85/98/640168598.db2.gz HDGPYJZRFLNLIG-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)C1(C)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000931351111 640168606 /nfs/dbraw/zinc/16/86/06/640168606.db2.gz HDGPYJZRFLNLIG-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H](CO)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000931685066 640316423 /nfs/dbraw/zinc/31/64/23/640316423.db2.gz YICZWJQSWCUVPH-QWHCGFSZSA-N 1 3 249.358 1.363 20 0 BDADHO CC[C@H](CO)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931763348 640357182 /nfs/dbraw/zinc/35/71/82/640357182.db2.gz GLSXFWDHJLNGMF-CHWSQXEVSA-N 1 3 249.358 1.363 20 0 BDADHO CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@@H]1CCCN1C ZINC000934120076 641083377 /nfs/dbraw/zinc/08/33/77/641083377.db2.gz ZEHXLYGLRRCPLT-YNEHKIRRSA-N 1 3 226.364 1.580 20 0 BDADHO CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@@H]1CCCN1C ZINC000934120076 641083380 /nfs/dbraw/zinc/08/33/80/641083380.db2.gz ZEHXLYGLRRCPLT-YNEHKIRRSA-N 1 3 226.364 1.580 20 0 BDADHO CC[C@H](CO)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695177 641400219 /nfs/dbraw/zinc/40/02/19/641400219.db2.gz GDJHPRSMYIERGH-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000089147685 641465399 /nfs/dbraw/zinc/46/53/99/641465399.db2.gz FQPSMIOJWBMNRX-NEPJUHHUSA-N 1 3 248.326 1.632 20 0 BDADHO CCO[C@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000233763946 642691978 /nfs/dbraw/zinc/69/19/78/642691978.db2.gz IIASQRCDESJCGX-UWVGGRQHSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1cc(NCC[N@@H+](C)C(C)C)nc(N)n1 ZINC000082375799 643306932 /nfs/dbraw/zinc/30/69/32/643306932.db2.gz GXURBAQGCMYAHA-UHFFFAOYSA-N 1 3 223.324 1.119 20 0 BDADHO Cc1cc(NCC[N@H+](C)C(C)C)nc(N)n1 ZINC000082375799 643306935 /nfs/dbraw/zinc/30/69/35/643306935.db2.gz GXURBAQGCMYAHA-UHFFFAOYSA-N 1 3 223.324 1.119 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCC(F)(F)F ZINC000084221754 643650205 /nfs/dbraw/zinc/65/02/05/643650205.db2.gz OHOBDVDHXPMXTQ-SFYZADRCSA-N 1 3 210.243 1.656 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1nccs1 ZINC000084216779 643650526 /nfs/dbraw/zinc/65/05/26/643650526.db2.gz VGRZYZGMTIWQRQ-MNOVXSKESA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1nccs1 ZINC000084216779 643650530 /nfs/dbraw/zinc/65/05/30/643650530.db2.gz VGRZYZGMTIWQRQ-MNOVXSKESA-N 1 3 239.388 1.793 20 0 BDADHO C1=CO[C@@H](C[NH2+]CCCN2CCCC2)CC1 ZINC000050267585 643671496 /nfs/dbraw/zinc/67/14/96/643671496.db2.gz DXHXVTCZQHZLRB-CYBMUJFWSA-N 1 3 224.348 1.755 20 0 BDADHO C1=CO[C@@H](CNCCC[NH+]2CCCC2)CC1 ZINC000050267585 643671506 /nfs/dbraw/zinc/67/15/06/643671506.db2.gz DXHXVTCZQHZLRB-CYBMUJFWSA-N 1 3 224.348 1.755 20 0 BDADHO CC(C)CC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923282420 644315514 /nfs/dbraw/zinc/31/55/14/644315514.db2.gz VVFUGGRFYZOBGS-QWHCGFSZSA-N 1 3 228.380 1.454 20 0 BDADHO CCCCCC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923281917 644316273 /nfs/dbraw/zinc/31/62/73/644316273.db2.gz JJEZVCWWSNXJMG-KGLIPLIRSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)Cc2ccccc21 ZINC000923299604 644326372 /nfs/dbraw/zinc/32/63/72/644326372.db2.gz XCGFVLPWHCCNAH-LVGORTOPSA-N 1 3 246.354 1.456 20 0 BDADHO CC[N@H+](CCCNC1CC1)C[C@H]1CCOC1 ZINC000923305595 644340855 /nfs/dbraw/zinc/34/08/55/644340855.db2.gz HFMUQVJEFJYZOK-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](CCCNC1CC1)C[C@H]1CCOC1 ZINC000923305595 644340860 /nfs/dbraw/zinc/34/08/60/644340860.db2.gz HFMUQVJEFJYZOK-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1ccc([C@H](O)C[NH2+]CC2(N)CCC2)cc1 ZINC000923330957 644348238 /nfs/dbraw/zinc/34/82/38/644348238.db2.gz DUXOOBURHJNTHF-CYBMUJFWSA-N 1 3 234.343 1.499 20 0 BDADHO NC1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CCC1 ZINC000923330865 644348629 /nfs/dbraw/zinc/34/86/29/644348629.db2.gz CPQAZSGYQDFAQL-LBPRGKRZSA-N 1 3 238.306 1.330 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1N ZINC000923365008 644376064 /nfs/dbraw/zinc/37/60/64/644376064.db2.gz BWLXAWGXSLDHSM-YUELXQCFSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@H]1N ZINC000923365008 644376070 /nfs/dbraw/zinc/37/60/70/644376070.db2.gz BWLXAWGXSLDHSM-YUELXQCFSA-N 1 3 248.370 1.259 20 0 BDADHO CCCCCC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923356899 644376664 /nfs/dbraw/zinc/37/66/64/644376664.db2.gz VOMRJNMLPGYGBM-ZIAGYGMSSA-N 1 3 242.407 1.988 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H](O)CC(F)(F)F ZINC000923366970 644378859 /nfs/dbraw/zinc/37/88/59/644378859.db2.gz BRVBSCZCUHXGDJ-JGVFFNPUSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)[C@H](N[C@H]1C[C@H]([NH3+])C[C@@H]1O)c1ccccc1 ZINC000923377578 644392175 /nfs/dbraw/zinc/39/21/75/644392175.db2.gz UXPQPIMJGPNFCL-AJNGGQMLSA-N 1 3 248.370 1.824 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000923391916 644398544 /nfs/dbraw/zinc/39/85/44/644398544.db2.gz GRXAIOZNGAEZIO-UPJWGTAASA-N 1 3 228.380 1.595 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923391917 644399585 /nfs/dbraw/zinc/39/95/85/644399585.db2.gz GRXAIOZNGAEZIO-XQQFMLRXSA-N 1 3 228.380 1.595 20 0 BDADHO C[C@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923415889 644409874 /nfs/dbraw/zinc/40/98/74/644409874.db2.gz SDVPVGZCWWXWIN-CMPLNLGQSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923415889 644409878 /nfs/dbraw/zinc/40/98/78/644409878.db2.gz SDVPVGZCWWXWIN-CMPLNLGQSA-N 1 3 214.353 1.064 20 0 BDADHO Cc1nc(C)c([C@H](C)[NH2+]CC2(N)CC2)s1 ZINC000083837118 644410218 /nfs/dbraw/zinc/41/02/18/644410218.db2.gz ZBIOYVSRBFTWNX-ZETCQYMHSA-N 1 3 225.361 1.902 20 0 BDADHO CC1(C)C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1N ZINC000923431867 644424379 /nfs/dbraw/zinc/42/43/79/644424379.db2.gz YAPMXWJSJTYUTC-UONOGXRCSA-N 1 3 248.370 1.259 20 0 BDADHO CC1(C)C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1N ZINC000923431867 644424385 /nfs/dbraw/zinc/42/43/85/644424385.db2.gz YAPMXWJSJTYUTC-UONOGXRCSA-N 1 3 248.370 1.259 20 0 BDADHO CCc1nocc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923495164 644462750 /nfs/dbraw/zinc/46/27/50/644462750.db2.gz UQSFFYIFNFYUEG-WDEREUQCSA-N 1 3 237.347 1.654 20 0 BDADHO Cc1nocc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492927 644468213 /nfs/dbraw/zinc/46/82/13/644468213.db2.gz ZMMCLKNNUKLUJP-KOLCDFICSA-N 1 3 223.320 1.400 20 0 BDADHO Cc1nocc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923492929 644468539 /nfs/dbraw/zinc/46/85/39/644468539.db2.gz ZMMCLKNNUKLUJP-ONGXEEELSA-N 1 3 223.320 1.400 20 0 BDADHO C[C@@H]1CN(Cc2ccno2)CC[C@@H]1C[NH3+] ZINC000923501124 644475907 /nfs/dbraw/zinc/47/59/07/644475907.db2.gz ZDQSVUILPYRTMD-NXEZZACHSA-N 1 3 209.293 1.091 20 0 BDADHO CN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C1 ZINC000796749580 644813355 /nfs/dbraw/zinc/81/33/55/644813355.db2.gz YSEKCVPOPPREMU-REWJHTLYSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251784759 644821370 /nfs/dbraw/zinc/82/13/70/644821370.db2.gz UHOFJGCSUPNFGM-FRRDWIJNSA-N 1 3 236.363 1.379 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccoc1 ZINC000926703232 645370469 /nfs/dbraw/zinc/37/04/69/645370469.db2.gz RNDOXYSLAFBKAC-PBWFPOADSA-N 1 3 234.343 1.752 20 0 BDADHO CCOCCOCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000927088813 645545229 /nfs/dbraw/zinc/54/52/29/645545229.db2.gz WKNNTGIZGDDYPY-CHWSQXEVSA-N 1 3 244.379 1.112 20 0 BDADHO CCOCCOCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000927088813 645545237 /nfs/dbraw/zinc/54/52/37/645545237.db2.gz WKNNTGIZGDDYPY-CHWSQXEVSA-N 1 3 244.379 1.112 20 0 BDADHO CCOCCOCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000927088816 645546943 /nfs/dbraw/zinc/54/69/43/645546943.db2.gz WKNNTGIZGDDYPY-STQMWFEESA-N 1 3 244.379 1.112 20 0 BDADHO CCOCCOCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000927088816 645546949 /nfs/dbraw/zinc/54/69/49/645546949.db2.gz WKNNTGIZGDDYPY-STQMWFEESA-N 1 3 244.379 1.112 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCCO1 ZINC000924802758 646110774 /nfs/dbraw/zinc/11/07/74/646110774.db2.gz KMLXEMRKPXTVKD-RBKKPWLPSA-N 1 3 238.375 1.485 20 0 BDADHO COC/C(C)=C/C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637262 646210566 /nfs/dbraw/zinc/21/05/66/646210566.db2.gz GAHXWTVOVVDKMV-YFTXEMMHSA-N 1 3 226.364 1.463 20 0 BDADHO COC/C(C)=C/C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637262 646210570 /nfs/dbraw/zinc/21/05/70/646210570.db2.gz GAHXWTVOVVDKMV-YFTXEMMHSA-N 1 3 226.364 1.463 20 0 BDADHO CC[C@H](CO)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929717940 646271235 /nfs/dbraw/zinc/27/12/35/646271235.db2.gz BCZANSIRNVVVQJ-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]([NH3+])[C@H](N[C@H]1CCN(C)C1)c1ccccc1 ZINC000925488931 646300137 /nfs/dbraw/zinc/30/01/37/646300137.db2.gz WJRCIFVWELWFGT-UBHSHLNASA-N 1 3 233.359 1.369 20 0 BDADHO C1C[C@@H]2CC[C@H](N[C@H]3C[NH2+]CCOC3)C[C@@H]2C1 ZINC000925515065 646311549 /nfs/dbraw/zinc/31/15/49/646311549.db2.gz SEOVGSREPXFREA-RFGFWPKPSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925524177 646314813 /nfs/dbraw/zinc/31/48/13/646314813.db2.gz YDGPWSMVFZUXAK-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925525650 646316659 /nfs/dbraw/zinc/31/66/59/646316659.db2.gz DKEXVMZYTRZCOD-MELADBBJSA-N 1 3 242.407 1.761 20 0 BDADHO CC1(C)[NH2+]CC[C@@H]1NCCN1CCCCC1 ZINC000925534674 646318830 /nfs/dbraw/zinc/31/88/30/646318830.db2.gz YJRZNBCIXLAGSD-LBPRGKRZSA-N 1 3 225.380 1.202 20 0 BDADHO CC1(C)[NH2+]CC[C@H]1NCCN1CCCCC1 ZINC000925534673 646319416 /nfs/dbraw/zinc/31/94/16/646319416.db2.gz YJRZNBCIXLAGSD-GFCCVEGCSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H]1CCCN(CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925548493 646327377 /nfs/dbraw/zinc/32/73/77/646327377.db2.gz CITWUOKPZTVIDN-QWHCGFSZSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](CN[C@@H]1CC[NH2+]C1(C)C)N1CCCCC1 ZINC000925613538 646362074 /nfs/dbraw/zinc/36/20/74/646362074.db2.gz RYPXOVYMYZTQRT-CHWSQXEVSA-N 1 3 239.407 1.591 20 0 BDADHO CCC1(O)CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925617545 646365071 /nfs/dbraw/zinc/36/50/71/646365071.db2.gz XAUIPKJSCQUPJQ-NELGMTEASA-N 1 3 240.391 1.800 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925618961 646367628 /nfs/dbraw/zinc/36/76/28/646367628.db2.gz XNNKUDWSHJTBQD-GFCCVEGCSA-N 1 3 238.375 1.677 20 0 BDADHO CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1CCNC12CCC2 ZINC000925623134 646369095 /nfs/dbraw/zinc/36/90/95/646369095.db2.gz OZAJMSRBSQZHKT-UPJWGTAASA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@H]1CCO ZINC000925641775 646384479 /nfs/dbraw/zinc/38/44/79/646384479.db2.gz BLOTUTXRHYAIHX-CYDGBPFRSA-N 1 3 226.364 1.268 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@@H]2CCCOC2)C12CCC2 ZINC000925669510 646389252 /nfs/dbraw/zinc/38/92/52/646389252.db2.gz UWHFAFOSQSTVLJ-VWYCJHECSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000925669510 646389257 /nfs/dbraw/zinc/38/92/57/646389257.db2.gz UWHFAFOSQSTVLJ-VWYCJHECSA-N 1 3 210.321 1.025 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925691709 646418673 /nfs/dbraw/zinc/41/86/73/646418673.db2.gz IOSKBTZDDZYBLG-USZNOCQGSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1C[C@H]3CC[C@@H]1O3)[NH2+]2 ZINC000925713479 646439289 /nfs/dbraw/zinc/43/92/89/646439289.db2.gz UBDFJPNXWQSJNQ-MDRVADGTSA-N 1 3 236.359 1.425 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCc1ccns1 ZINC000925733995 646458739 /nfs/dbraw/zinc/45/87/39/646458739.db2.gz YWZHQJJPFITVBO-VHSXEESVSA-N 1 3 211.334 1.155 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC000925826282 646497878 /nfs/dbraw/zinc/49/78/78/646497878.db2.gz GTXMBKQEKMAWJK-CHIMOYNISA-N 1 3 249.358 1.534 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829069 646499602 /nfs/dbraw/zinc/49/96/02/646499602.db2.gz AUOCEYZAJOOUKP-BJJPWKGXSA-N 1 3 236.359 1.295 20 0 BDADHO Cc1ccc(NCCN[C@H](C)C[C@@H](C)[NH3+])nc1 ZINC000925877043 646527495 /nfs/dbraw/zinc/52/74/95/646527495.db2.gz DNDYQAUNYHJACX-VXGBXAGGSA-N 1 3 236.363 1.517 20 0 BDADHO Cc1ccc(NCCN[C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000925877045 646528128 /nfs/dbraw/zinc/52/81/28/646528128.db2.gz DNKGVHCNNKYVMA-OLZOCXBDSA-N 1 3 248.374 1.519 20 0 BDADHO C[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)CN(C)C ZINC000926472590 646651734 /nfs/dbraw/zinc/65/17/34/646651734.db2.gz KUPUODIMCMEJFZ-WOPDTQHZSA-N 1 3 228.380 1.445 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)CN(C)C ZINC000926472591 646652445 /nfs/dbraw/zinc/65/24/45/646652445.db2.gz KUPUODIMCMEJFZ-WUHRBBMRSA-N 1 3 228.380 1.445 20 0 BDADHO C[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)CN(C)C ZINC000926472588 646652509 /nfs/dbraw/zinc/65/25/09/646652509.db2.gz KUPUODIMCMEJFZ-IJLUTSLNSA-N 1 3 228.380 1.445 20 0 BDADHO CCC[C@H](C(=O)OCC)N1CC[C@H](CC[NH3+])C1 ZINC000723711969 711535714 /nfs/dbraw/zinc/53/57/14/711535714.db2.gz BWEPGFUHDIDAEV-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CC(C)CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709796426 712227162 /nfs/dbraw/zinc/22/71/62/712227162.db2.gz WSGJTCHDZYFEGV-RKDXNWHRSA-N 1 3 224.270 1.711 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+]C[C@H]1CCN(CC)C1 ZINC000711106651 712280677 /nfs/dbraw/zinc/28/06/77/712280677.db2.gz GULXXJZBNJRJTB-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CC1(C)CCC[C@@H](CN2CC[C@@H](C[NH3+])C2)O1 ZINC000714375669 712484379 /nfs/dbraw/zinc/48/43/79/712484379.db2.gz VWSGQDFUIHRVGP-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000387782535 711046688 /nfs/dbraw/zinc/04/66/88/711046688.db2.gz DPWJFKOLPHFGTK-LZRJYULZSA-N 1 3 220.360 1.619 20 0 BDADHO CC1(C)CN(CC2CCOCC2)C[C@H]1[NH3+] ZINC000388012090 711050068 /nfs/dbraw/zinc/05/00/68/711050068.db2.gz CVRXQPRSJOJTIB-LLVKDONJSA-N 1 3 212.337 1.082 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000389630398 711083662 /nfs/dbraw/zinc/08/36/62/711083662.db2.gz LZWCANVUMKNPJG-IJLUTSLNSA-N 1 3 228.405 1.669 20 0 BDADHO C[C@@H](NCCCCCCO)[C@@H]1CCCC[NH2+]1 ZINC000395159044 711203092 /nfs/dbraw/zinc/20/30/92/711203092.db2.gz PSNFGWYXKJVIAF-OLZOCXBDSA-N 1 3 228.380 1.659 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCC1(C2CC2)CC1 ZINC000396708654 711364483 /nfs/dbraw/zinc/36/44/83/711364483.db2.gz OKBOFTFNFROMII-PWSUYJOCSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCn1ccnc1 ZINC000396723700 711368219 /nfs/dbraw/zinc/36/82/19/711368219.db2.gz UXWYUYQHLGPYFC-NWDGAFQWSA-N 1 3 222.336 1.003 20 0 BDADHO CCC[C@H](CCO)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396674321 711364438 /nfs/dbraw/zinc/36/44/38/711364438.db2.gz RYSNWMUKOKHQCU-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1C[C@@H](NCc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645029 711150900 /nfs/dbraw/zinc/15/09/00/711150900.db2.gz RADFWXWGXKPCIK-PWSUYJOCSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@@H]1C[C@@H](NCc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645029 711150904 /nfs/dbraw/zinc/15/09/04/711150904.db2.gz RADFWXWGXKPCIK-PWSUYJOCSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CC1 ZINC000382219636 711614349 /nfs/dbraw/zinc/61/43/49/711614349.db2.gz MRIVEJOQHHJSEQ-SKQGFCNXSA-N 1 3 220.360 1.619 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CC23CC(O)C3)CC1 ZINC000724993185 711642284 /nfs/dbraw/zinc/64/22/84/711642284.db2.gz PISWAMRXZJPHSH-ROKHWSDSSA-N 1 3 238.375 1.364 20 0 BDADHO CCC[C@H](C(=O)OCC)N1CC[C@@H](CC[NH3+])C1 ZINC000723711971 711730716 /nfs/dbraw/zinc/73/07/16/711730716.db2.gz BWEPGFUHDIDAEV-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H](N)[C@@H](C)C1)C(C)C ZINC000721911482 711917610 /nfs/dbraw/zinc/91/76/10/711917610.db2.gz JNJLPEZPBFLJIM-AVGNSLFASA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H](N)[C@@H](C)C1)C(C)C ZINC000721911482 711917611 /nfs/dbraw/zinc/91/76/11/711917611.db2.gz JNJLPEZPBFLJIM-AVGNSLFASA-N 1 3 228.380 1.574 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H](COC)C(C)C)CC[C@@H]1N ZINC000721913815 711918393 /nfs/dbraw/zinc/91/83/93/711918393.db2.gz QDNNNIHELPZHOJ-RDBSUJKOSA-N 1 3 242.407 1.964 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H](COC)C(C)C)CC[C@@H]1N ZINC000721913815 711918395 /nfs/dbraw/zinc/91/83/95/711918395.db2.gz QDNNNIHELPZHOJ-RDBSUJKOSA-N 1 3 242.407 1.964 20 0 BDADHO COC[C@@H](C[N@@H+]1CCC[C@@H](CN)C1)C(C)C ZINC000721916468 711918749 /nfs/dbraw/zinc/91/87/49/711918749.db2.gz XMKTYMMDOILBNG-QWHCGFSZSA-N 1 3 228.380 1.576 20 0 BDADHO COC[C@@H](C[N@H+]1CCC[C@@H](CN)C1)C(C)C ZINC000721916468 711918750 /nfs/dbraw/zinc/91/87/50/711918750.db2.gz XMKTYMMDOILBNG-QWHCGFSZSA-N 1 3 228.380 1.576 20 0 BDADHO CO[C@H]1C[C@@H](CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000721919449 711920191 /nfs/dbraw/zinc/92/01/91/711920191.db2.gz LUKKIOZBLHVARG-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H](CCN[C@H]1C[C@@H](C)O[C@@H]1C)[NH+](C)C ZINC000700468962 711993432 /nfs/dbraw/zinc/99/34/32/711993432.db2.gz IUQJKAFLXGQRMC-QCNOEVLYSA-N 1 3 214.353 1.482 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CCSC1)N(C)C ZINC000700508759 711995408 /nfs/dbraw/zinc/99/54/08/711995408.db2.gz YLWHJXMYYYZGDK-NXEZZACHSA-N 1 3 202.367 1.422 20 0 BDADHO [NH3+]CC[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC000700640065 712001268 /nfs/dbraw/zinc/00/12/68/712001268.db2.gz MCMPZTCREJDWLI-SNVBAGLBSA-N 1 3 239.750 1.906 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000700788962 712005421 /nfs/dbraw/zinc/00/54/21/712005421.db2.gz SKVTVEUBXNAZTB-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO COC1CC(C[N@@H+]2CC[C@@H](C)[C@H](CN)C2)C1 ZINC000703855590 712090984 /nfs/dbraw/zinc/09/09/84/712090984.db2.gz VQDLSSMZUJPJGR-CQLXCSJHSA-N 1 3 226.364 1.328 20 0 BDADHO COC1CC(C[N@H+]2CC[C@@H](C)[C@H](CN)C2)C1 ZINC000703855590 712090987 /nfs/dbraw/zinc/09/09/87/712090987.db2.gz VQDLSSMZUJPJGR-CQLXCSJHSA-N 1 3 226.364 1.328 20 0 BDADHO C(C[C@H]1CCSC1)[NH2+]C1CCNCC1 ZINC000704870453 712119677 /nfs/dbraw/zinc/11/96/77/712119677.db2.gz JWKLANGYNGMIRX-JTQLQIEISA-N 1 3 214.378 1.471 20 0 BDADHO CCC[C@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705657721 712134788 /nfs/dbraw/zinc/13/47/88/712134788.db2.gz FWHBEPLSUUHNHO-MELADBBJSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[C@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705657721 712134789 /nfs/dbraw/zinc/13/47/89/712134789.db2.gz FWHBEPLSUUHNHO-MELADBBJSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H](O)CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705669009 712135186 /nfs/dbraw/zinc/13/51/86/712135186.db2.gz LHYLFSLEQKWAAW-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](O)CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705669009 712135187 /nfs/dbraw/zinc/13/51/87/712135187.db2.gz LHYLFSLEQKWAAW-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H](CCN[C@@H](C)[C@H]1CCCCO1)[NH+](C)C ZINC000705959906 712138164 /nfs/dbraw/zinc/13/81/64/712138164.db2.gz MPKVKBKLHHIHQC-RWMBFGLXSA-N 1 3 228.380 1.874 20 0 BDADHO CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H]2CN)C1 ZINC000708330377 712187210 /nfs/dbraw/zinc/18/72/10/712187210.db2.gz INTZXGMGFUJPKT-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO CC1(C)CO[C@H](C[N@H+]2CCCC[C@H]2CN)C1 ZINC000708330377 712187212 /nfs/dbraw/zinc/18/72/12/712187212.db2.gz INTZXGMGFUJPKT-RYUDHWBXSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708332122 712188531 /nfs/dbraw/zinc/18/85/31/712188531.db2.gz PHLCUMQOWMGDJD-UPJWGTAASA-N 1 3 240.391 1.861 20 0 BDADHO FC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000711443565 712300973 /nfs/dbraw/zinc/30/09/73/712300973.db2.gz MWGHIYCOWGNNQZ-GHMZBOCLSA-N 1 3 200.301 1.277 20 0 BDADHO C1=C[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000711683775 712317194 /nfs/dbraw/zinc/31/71/94/712317194.db2.gz FLBRLSZSNZBIJV-BSCCGWMCSA-N 1 3 218.344 1.539 20 0 BDADHO CC[C@@H]1CN(CCOC2CC2)CC[C@@H]1[NH3+] ZINC000711731114 712320075 /nfs/dbraw/zinc/32/00/75/712320075.db2.gz MAERFDKLNGBMDP-PWSUYJOCSA-N 1 3 212.337 1.225 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438263 712429747 /nfs/dbraw/zinc/42/97/47/712429747.db2.gz NURBPEZGRWNXPL-OLZOCXBDSA-N 1 3 238.375 1.759 20 0 BDADHO N[C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698355 712448631 /nfs/dbraw/zinc/44/86/31/712448631.db2.gz YFQSBRYCKHXFKS-UPJWGTAASA-N 1 3 208.349 1.846 20 0 BDADHO N[C@@H]1CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000712698355 712448632 /nfs/dbraw/zinc/44/86/32/712448632.db2.gz YFQSBRYCKHXFKS-UPJWGTAASA-N 1 3 208.349 1.846 20 0 BDADHO CC1(C)CC[C@@H](CN2CCC[C@@H](C[NH3+])C2)OC1 ZINC000713586217 712466282 /nfs/dbraw/zinc/46/62/82/712466282.db2.gz MEPMXBGKDQRULX-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000715291464 712515644 /nfs/dbraw/zinc/51/56/44/712515644.db2.gz IJTUSWLADMRTCI-UPJWGTAASA-N 1 3 226.364 1.220 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000715503834 712523754 /nfs/dbraw/zinc/52/37/54/712523754.db2.gz RJWDVNGCTHMBIL-DRZSPHRISA-N 1 3 224.348 1.225 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295173 712553855 /nfs/dbraw/zinc/55/38/55/712553855.db2.gz RAQYSWSGQQRRSG-OLZOCXBDSA-N 1 3 238.375 1.616 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000716295177 712553937 /nfs/dbraw/zinc/55/39/37/712553937.db2.gz RAQYSWSGQQRRSG-STQMWFEESA-N 1 3 238.375 1.616 20 0 BDADHO C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCN1C ZINC000719620164 712817357 /nfs/dbraw/zinc/81/73/57/712817357.db2.gz VEWMMZWNKFZYGI-WYTNZGFTSA-N 1 3 237.391 1.294 20 0 BDADHO CCC[C@H](C)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720145250 712827733 /nfs/dbraw/zinc/82/77/33/712827733.db2.gz WBHBHZYZMQHVDI-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)c2ccccc2)C1 ZINC000250822026 712834887 /nfs/dbraw/zinc/83/48/87/712834887.db2.gz TVUGDJLBDSZHKU-RDBSUJKOSA-N 1 3 234.343 1.580 20 0 BDADHO C[C@@H]1C[C@@H]1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720799391 712866284 /nfs/dbraw/zinc/86/62/84/712866284.db2.gz ZRDPBNKBVPGXMY-IMSYWVGJSA-N 1 3 236.281 1.711 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720875881 712872450 /nfs/dbraw/zinc/87/24/50/712872450.db2.gz XYCXBTIIDFWRDX-HPCHECBXSA-N 1 3 238.375 1.613 20 0 BDADHO Cc1cnc(N2C[C@@H](C)N(C)C[C@H]2C)c(C[NH3+])c1 ZINC001164633417 719225702 /nfs/dbraw/zinc/22/57/02/719225702.db2.gz DLRKJXDEKNQHQC-VXGBXAGGSA-N 1 3 248.374 1.378 20 0 BDADHO COC1CC(C[NH2+][C@H]2CCN[C@H](C)C2)C1 ZINC000705481737 957262889 /nfs/dbraw/zinc/26/28/89/957262889.db2.gz KRQZONJTCUDQFD-ZYGVAYEYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@]1(N)CC[N@H+](CCC2CCOCC2)C1 ZINC000405791890 959510489 /nfs/dbraw/zinc/51/04/89/959510489.db2.gz LHVAHYBVBNRBMS-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(N)CC[N@@H+](CCC2CCOCC2)C1 ZINC000405791890 959510503 /nfs/dbraw/zinc/51/05/03/959510503.db2.gz LHVAHYBVBNRBMS-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CCCC[N@H+](CC2CCOCC2)C1 ZINC000309332704 959849805 /nfs/dbraw/zinc/84/98/05/959849805.db2.gz JDOBOKKEZNNKTQ-ZDUSSCGKSA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1 ZINC000309332704 959849807 /nfs/dbraw/zinc/84/98/07/959849807.db2.gz JDOBOKKEZNNKTQ-ZDUSSCGKSA-N 1 3 226.364 1.474 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C(C)C)N(C)C ZINC001268003309 960709994 /nfs/dbraw/zinc/70/99/94/960709994.db2.gz LKZKVRZFDSBBHQ-RYUDHWBXSA-N 1 3 243.395 1.077 20 0 BDADHO CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001268010509 960727590 /nfs/dbraw/zinc/72/75/90/960727590.db2.gz ORGKEJAOSICAGP-VXGBXAGGSA-N 1 3 243.395 1.079 20 0 BDADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C(C)C ZINC001482644719 964110158 /nfs/dbraw/zinc/11/01/58/964110158.db2.gz SXOARTXMXUZJNT-UHFFFAOYSA-N 1 3 243.395 1.127 20 0 BDADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C(C)C ZINC001482644719 964110165 /nfs/dbraw/zinc/11/01/65/964110165.db2.gz SXOARTXMXUZJNT-UHFFFAOYSA-N 1 3 243.395 1.127 20 0 BDADHO CO[C@@H](CNCC[C@H](C)[NH+](C)C)C1CC1 ZINC000697877177 964604302 /nfs/dbraw/zinc/60/43/02/964604302.db2.gz BBNMJJUTDKYSRG-JQWIXIFHSA-N 1 3 214.353 1.341 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000699542213 965954142 /nfs/dbraw/zinc/95/41/42/965954142.db2.gz KUTBNTSAZNBUOH-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1COC[C@@H]1NC[C@@H](C)C[NH+]1CCCC1 ZINC000699542213 965954155 /nfs/dbraw/zinc/95/41/55/965954155.db2.gz KUTBNTSAZNBUOH-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO COCCCCN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205064123 967321431 /nfs/dbraw/zinc/32/14/31/967321431.db2.gz ISHYYJVIESTTCW-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H]1C[N@H+](C[C@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001205130293 967377926 /nfs/dbraw/zinc/37/79/26/967377926.db2.gz ATXCMVSHVCUXBK-RWMBFGLXSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H]1C[N@@H+](C[C@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001205130293 967377935 /nfs/dbraw/zinc/37/79/35/967377935.db2.gz ATXCMVSHVCUXBK-RWMBFGLXSA-N 1 3 240.391 1.718 20 0 BDADHO CCCC[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001252093478 968573065 /nfs/dbraw/zinc/57/30/65/968573065.db2.gz HSIYCSVPAIIDPR-FRRDWIJNSA-N 1 3 226.364 1.031 20 0 BDADHO CCCC[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001252093478 968573076 /nfs/dbraw/zinc/57/30/76/968573076.db2.gz HSIYCSVPAIIDPR-FRRDWIJNSA-N 1 3 226.364 1.031 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@@H](CO)C1 ZINC001207274465 968706135 /nfs/dbraw/zinc/70/61/35/968706135.db2.gz CRLQDTGRHCYXRP-GFCCVEGCSA-N 1 3 228.380 1.279 20 0 BDADHO C[C@@H]1C[C@H](O)CN1CC(C)(C)C[NH+](C)C ZINC001207275254 968707511 /nfs/dbraw/zinc/70/75/11/968707511.db2.gz LHSARRAOLYICAX-MNOVXSKESA-N 1 3 214.353 1.029 20 0 BDADHO C[NH+]1CCC(CCN2CC[C@@H](F)C2)CC1 ZINC001207480183 968798444 /nfs/dbraw/zinc/79/84/44/968798444.db2.gz WIGKOYGFIDOJRI-GFCCVEGCSA-N 1 3 214.328 1.762 20 0 BDADHO COCC1C[NH+](CC2(CN(C)C)CCCC2)C1 ZINC001208182398 969113055 /nfs/dbraw/zinc/11/30/55/969113055.db2.gz PHLTZTADGQDAEO-UHFFFAOYSA-N 1 3 240.391 1.687 20 0 BDADHO C[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1CCCC1 ZINC001253406919 969163039 /nfs/dbraw/zinc/16/30/39/969163039.db2.gz YGMJHFBKTDURDW-YPMHNXCESA-N 1 3 242.407 1.904 20 0 BDADHO CC[N@H+](CCN(C)C)[C@H]1CCCN(C)CC1 ZINC001254515945 969690357 /nfs/dbraw/zinc/69/03/57/969690357.db2.gz HBLXKQIZKJNZMS-ZDUSSCGKSA-N 1 3 227.396 1.354 20 0 BDADHO CC[N@@H+](CCN(C)C)[C@H]1CCCN(C)CC1 ZINC001254515945 969690363 /nfs/dbraw/zinc/69/03/63/969690363.db2.gz HBLXKQIZKJNZMS-ZDUSSCGKSA-N 1 3 227.396 1.354 20 0 BDADHO CN1CCC([N@H+](C)[C@H]2CCCN(C)CC2)CC1 ZINC001254517048 969694116 /nfs/dbraw/zinc/69/41/16/969694116.db2.gz RLVPCNGHUKPVOA-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCC([N@@H+](C)[C@H]2CCCN(C)CC2)CC1 ZINC001254517048 969694124 /nfs/dbraw/zinc/69/41/24/969694124.db2.gz RLVPCNGHUKPVOA-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CN(C[C@H]1CCCCO1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522583 969711904 /nfs/dbraw/zinc/71/19/04/969711904.db2.gz HKIXQACJLYXNDO-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C[C@H]1CCCCO1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522583 969711911 /nfs/dbraw/zinc/71/19/11/969711911.db2.gz HKIXQACJLYXNDO-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CSCCN(C)[C@H]1CCC[N@H+](C)CC1 ZINC001254528768 969716125 /nfs/dbraw/zinc/71/61/25/969716125.db2.gz AEBBVZWFUBOMIW-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CSCCN(C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254528768 969716130 /nfs/dbraw/zinc/71/61/30/969716130.db2.gz AEBBVZWFUBOMIW-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CCN(C1CN(C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254531288 969733752 /nfs/dbraw/zinc/73/37/52/969733752.db2.gz JRBPAESWXJKYDP-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(C1CN(C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254531288 969733762 /nfs/dbraw/zinc/73/37/62/969733762.db2.gz JRBPAESWXJKYDP-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CC[N@H+](C1CN(C)C1)[C@@H]1CCCN(C)CC1 ZINC001254531288 969733768 /nfs/dbraw/zinc/73/37/68/969733768.db2.gz JRBPAESWXJKYDP-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CC[N@@H+](C1CN(C)C1)[C@@H]1CCCN(C)CC1 ZINC001254531288 969733777 /nfs/dbraw/zinc/73/37/77/969733777.db2.gz JRBPAESWXJKYDP-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H](O)CF ZINC001255954177 970565953 /nfs/dbraw/zinc/56/59/53/970565953.db2.gz ASLRQKVGPRGEBJ-WDEREUQCSA-N 1 3 220.332 1.027 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@@H](C)CO ZINC001255940712 970570699 /nfs/dbraw/zinc/57/06/99/970570699.db2.gz FRONEPMUOFOOBL-MNOVXSKESA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)CO ZINC001255940712 970570719 /nfs/dbraw/zinc/57/07/19/970570719.db2.gz FRONEPMUOFOOBL-MNOVXSKESA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1O ZINC001255945937 970575843 /nfs/dbraw/zinc/57/58/43/970575843.db2.gz PWVNQPVTCHGTTE-UPJWGTAASA-N 1 3 228.380 1.610 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCC[C@@H]1O ZINC001255945937 970575851 /nfs/dbraw/zinc/57/58/51/970575851.db2.gz PWVNQPVTCHGTTE-UPJWGTAASA-N 1 3 228.380 1.610 20 0 BDADHO CCN1CC[C@@H]([N@H+](C)C2CCN(CC)CC2)C1 ZINC001173365640 975346179 /nfs/dbraw/zinc/34/61/79/975346179.db2.gz MFUOEZWYJILHQE-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CC[C@@H]([N@@H+](C)C2CCN(CC)CC2)C1 ZINC001173365640 975346187 /nfs/dbraw/zinc/34/61/87/975346187.db2.gz MFUOEZWYJILHQE-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC001332980859 975354181 /nfs/dbraw/zinc/35/41/81/975354181.db2.gz IXTRMRDCJCYOFR-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO COC(=O)CCCC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001173441896 975378078 /nfs/dbraw/zinc/37/80/78/975378078.db2.gz XVGSFUXSSDJONR-KPPDAEKUSA-N 1 3 228.336 1.188 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459094 979405273 /nfs/dbraw/zinc/40/52/73/979405273.db2.gz WPEXPODZOZEVJK-WISYIIOYSA-N 1 3 241.379 1.007 20 0 BDADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)N(C)C ZINC001277986664 979671905 /nfs/dbraw/zinc/67/19/05/979671905.db2.gz BHZYKJAMAUNMIY-NWDGAFQWSA-N 1 3 243.395 1.172 20 0 BDADHO CC(C)COCC[C@@H](C)N1CCC[C@H]1C[NH3+] ZINC001172462612 974827868 /nfs/dbraw/zinc/82/78/68/974827868.db2.gz TXBVFHLPVSMXBP-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@@H+]([C@H]2CCCN(C)CC2)C1 ZINC001246558406 972777434 /nfs/dbraw/zinc/77/74/34/972777434.db2.gz QBJCNHZWIHJBOG-RDBSUJKOSA-N 1 3 239.407 1.530 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@H+]([C@H]2CCCN(C)CC2)C1 ZINC001246558406 972777447 /nfs/dbraw/zinc/77/74/47/972777447.db2.gz QBJCNHZWIHJBOG-RDBSUJKOSA-N 1 3 239.407 1.530 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246558997 972783419 /nfs/dbraw/zinc/78/34/19/972783419.db2.gz NOLDZASYWKXFNV-UTUOFQBUSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](F)CC2)CCN1 ZINC001246558997 972783434 /nfs/dbraw/zinc/78/34/34/972783434.db2.gz NOLDZASYWKXFNV-UTUOFQBUSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@@H+]([C@H]2CCCN(C)C2)C1 ZINC001246559568 972789173 /nfs/dbraw/zinc/78/91/73/972789173.db2.gz RYYUDJJMEARDKW-UPJWGTAASA-N 1 3 225.380 1.140 20 0 BDADHO C[C@@H]1CC[C@H](CN)[N@H+]([C@H]2CCCN(C)C2)C1 ZINC001246559568 972789184 /nfs/dbraw/zinc/78/91/84/972789184.db2.gz RYYUDJJMEARDKW-UPJWGTAASA-N 1 3 225.380 1.140 20 0 BDADHO C[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C[C@]1(C)O ZINC001246566046 972807095 /nfs/dbraw/zinc/80/70/95/972807095.db2.gz RJPDQIQJFHSFCG-VOAKCMCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)C[C@]1(C)O ZINC001246566046 972807102 /nfs/dbraw/zinc/80/71/02/972807102.db2.gz RJPDQIQJFHSFCG-VOAKCMCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H](Cc1ccccn1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001256420153 970827484 /nfs/dbraw/zinc/82/74/84/970827484.db2.gz BFZRQBDBXXFPAK-MELADBBJSA-N 1 3 245.370 1.506 20 0 BDADHO C[C@@H](Cc1ccccn1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001256420153 970827491 /nfs/dbraw/zinc/82/74/91/970827491.db2.gz BFZRQBDBXXFPAK-MELADBBJSA-N 1 3 245.370 1.506 20 0 BDADHO Cc1nc2ccc(NCCN(C)CC[NH3+])cc2[nH]1 ZINC001170502386 971002383 /nfs/dbraw/zinc/00/23/83/971002383.db2.gz UMXDRUDNSWJCEK-UHFFFAOYSA-N 1 3 247.346 1.174 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@H](O)[C@@H](C)C2)CC1 ZINC001257214342 971126326 /nfs/dbraw/zinc/12/63/26/971126326.db2.gz BRYZUXBJYIHLOH-JSGCOSHPSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@@H]2CCO2)CC1 ZINC001257205295 971122943 /nfs/dbraw/zinc/12/29/43/971122943.db2.gz ITKZASPJHXBUGG-LBPRGKRZSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@H](Nc1c[nH]cc2ccnc1-2)[C@H]1C[NH2+]CCO1 ZINC001170568979 971202731 /nfs/dbraw/zinc/20/27/31/971202731.db2.gz QHPLMEZQTGIUIG-JOYOIKCWSA-N 1 3 246.314 1.352 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)OC ZINC000405215557 971205447 /nfs/dbraw/zinc/20/54/47/971205447.db2.gz JUQZVMAZRNYVGD-RVMXOQNASA-N 1 3 240.391 1.907 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405215557 971205459 /nfs/dbraw/zinc/20/54/59/971205459.db2.gz JUQZVMAZRNYVGD-RVMXOQNASA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203594 971208575 /nfs/dbraw/zinc/20/85/75/971208575.db2.gz CCJQYMPDPYDYBT-MMWGEVLESA-N 1 3 212.337 1.005 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405203092 971210056 /nfs/dbraw/zinc/21/00/56/971210056.db2.gz BVCXZJCYAIZGIE-GARJFASQSA-N 1 3 212.337 1.007 20 0 BDADHO CCC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203092 971210071 /nfs/dbraw/zinc/21/00/71/971210071.db2.gz BVCXZJCYAIZGIE-GARJFASQSA-N 1 3 212.337 1.007 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)[C@@H](C)O ZINC000405237100 971214214 /nfs/dbraw/zinc/21/42/14/971214214.db2.gz FGDYUZJBMLLUDK-LMLFDSFASA-N 1 3 212.337 1.005 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCC2=CCCOC2)C12CCC2 ZINC000405237115 971216327 /nfs/dbraw/zinc/21/63/27/971216327.db2.gz FGLVSEMJUJDADK-VXGBXAGGSA-N 1 3 222.332 1.193 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405368362 971248950 /nfs/dbraw/zinc/24/89/50/971248950.db2.gz XQZRBCIQSDMAEM-JHJVBQTASA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)[C@H](C)O1 ZINC000405445795 971258922 /nfs/dbraw/zinc/25/89/22/971258922.db2.gz WPJBZFWODPRMEK-WTPMCQDGSA-N 1 3 224.348 1.412 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](N)C23CCC3)[C@H](C)O1 ZINC000405445795 971258926 /nfs/dbraw/zinc/25/89/26/971258926.db2.gz WPJBZFWODPRMEK-WTPMCQDGSA-N 1 3 224.348 1.412 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCc2ccc(O)cc2)C12CCC2 ZINC000405536166 971266903 /nfs/dbraw/zinc/26/69/03/971266903.db2.gz ZQHPBMDKYQXZFB-UONOGXRCSA-N 1 3 246.354 1.794 20 0 BDADHO C[N@@H+]1CCC2(CN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758271 971324046 /nfs/dbraw/zinc/32/40/46/971324046.db2.gz DJQYDCFQABLZMX-MJBXVCDLSA-N 1 3 232.371 1.836 20 0 BDADHO C[N@H+]1CCC2(CN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)C2)C1 ZINC001276758271 971324053 /nfs/dbraw/zinc/32/40/53/971324053.db2.gz DJQYDCFQABLZMX-MJBXVCDLSA-N 1 3 232.371 1.836 20 0 BDADHO CN1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000216750311 971644985 /nfs/dbraw/zinc/64/49/85/971644985.db2.gz GVBGARBNMHKLAE-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103665 974368265 /nfs/dbraw/zinc/36/82/65/974368265.db2.gz WKQZYDKUPPMYIT-FQUUOJAGSA-N 1 3 239.407 1.541 20 0 BDADHO c1cc2c(c(O[C@@H]3CC[C@H]4C[NH2+]C[C@H]43)c1)CNC2 ZINC001218458805 971824988 /nfs/dbraw/zinc/82/49/88/971824988.db2.gz DJWJVEZUXOTIMI-NJZAAPMLSA-N 1 3 244.338 1.667 20 0 BDADHO CCCCCCN(C)CC(=O)NCC[NH2+]CC ZINC001135437469 971889806 /nfs/dbraw/zinc/88/98/06/971889806.db2.gz UYVAEALPKDRYAK-UHFFFAOYSA-N 1 3 243.395 1.224 20 0 BDADHO CC(C)(C[NH3+])c1ccc(NC(=O)C2(N)CC2)cc1 ZINC001218896893 971960495 /nfs/dbraw/zinc/96/04/95/971960495.db2.gz BRRJRLGBHUSQMQ-UHFFFAOYSA-N 1 3 247.342 1.353 20 0 BDADHO [NH3+]C[C@@H]1CCCCN(Cc2cccc(O)c2)C1 ZINC000310538285 971975520 /nfs/dbraw/zinc/97/55/20/971975520.db2.gz PVZVCCARJVQSEL-ZDUSSCGKSA-N 1 3 234.343 1.953 20 0 BDADHO CCOc1ccc(N[C@@H](N)CCC[NH3+])cc1C ZINC001170901305 972053562 /nfs/dbraw/zinc/05/35/62/972053562.db2.gz YWPROLCUIBHCLN-CYBMUJFWSA-N 1 3 237.347 1.829 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc(CF)cc1 ZINC001170898038 972053671 /nfs/dbraw/zinc/05/36/71/972053671.db2.gz BFSBYCMSYMRSEZ-NSHDSACASA-N 1 3 211.284 1.592 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2ccncc2c1 ZINC001170899240 972059328 /nfs/dbraw/zinc/05/93/28/972059328.db2.gz IUOFWQXFXIQGEW-CYBMUJFWSA-N 1 3 230.315 1.670 20 0 BDADHO Cc1ccnc2cc(N[C@@H](N)CCC[NH3+])ccc12 ZINC001170900497 972063119 /nfs/dbraw/zinc/06/31/19/972063119.db2.gz LVUVMRLNTNFXQW-CQSZACIVSA-N 1 3 244.342 1.979 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)NC(=O)CC2 ZINC001170900571 972066210 /nfs/dbraw/zinc/06/62/10/972066210.db2.gz WMPDCAUKVDIKDF-GFCCVEGCSA-N 1 3 248.330 1.007 20 0 BDADHO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@]12CCCNC2 ZINC001246026590 972120984 /nfs/dbraw/zinc/12/09/84/972120984.db2.gz UVDDUQDLAQIXBL-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@]12CCCNC2 ZINC001246026590 972120986 /nfs/dbraw/zinc/12/09/86/972120986.db2.gz UVDDUQDLAQIXBL-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)CCN1 ZINC001246090490 972142153 /nfs/dbraw/zinc/14/21/53/972142153.db2.gz YBQVRBWLHOAEFF-WISYIIOYSA-N 1 3 214.328 1.997 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170968340 972182356 /nfs/dbraw/zinc/18/23/56/972182356.db2.gz DLHFOHMKCFZULX-PWSUYJOCSA-N 1 3 236.334 1.867 20 0 BDADHO CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CNCC34CC4)C[C@@H]21 ZINC001246131374 972189077 /nfs/dbraw/zinc/18/90/77/972189077.db2.gz JQQUMNIMCRABDS-USZNOCQGSA-N 1 3 220.360 1.763 20 0 BDADHO C1CC12CNC[C@H]2[NH2+]C1CCC2(COC2)CC1 ZINC001246130692 972189263 /nfs/dbraw/zinc/18/92/63/972189263.db2.gz JEJNOBRRBBBHBX-GFCCVEGCSA-N 1 3 236.359 1.287 20 0 BDADHO CCOC(=O)CCCCN[C@@H]1CCC[NH2+]C1 ZINC001246185172 972210570 /nfs/dbraw/zinc/21/05/70/972210570.db2.gz ABYLPDQDCICFAB-LLVKDONJSA-N 1 3 228.336 1.061 20 0 BDADHO Fc1cccc2c1C[C@@H](NC[C@@H]1CCC[NH2+]C1)C2 ZINC001246198582 972215063 /nfs/dbraw/zinc/21/50/63/972215063.db2.gz QJHXVWIWNGJFFS-YPMHNXCESA-N 1 3 248.345 1.882 20 0 BDADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](C)N ZINC001220384488 972217202 /nfs/dbraw/zinc/21/72/02/972217202.db2.gz VVQHPMDFYGSWMH-ZYHUDNBSSA-N 1 3 247.342 1.469 20 0 BDADHO COCOCCC[N@H+](C)CCCN1CCCC1 ZINC001209029782 957284498 /nfs/dbraw/zinc/28/44/98/957284498.db2.gz OUMOMBBBQKDDSE-UHFFFAOYSA-N 1 3 244.379 1.415 20 0 BDADHO COCOCCC[N@@H+](C)CCCN1CCCC1 ZINC001209029782 957284508 /nfs/dbraw/zinc/28/45/08/957284508.db2.gz OUMOMBBBQKDDSE-UHFFFAOYSA-N 1 3 244.379 1.415 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(CCCOC)C[C@H]2C1 ZINC001209055444 957305230 /nfs/dbraw/zinc/30/52/30/957305230.db2.gz YPLYDOFZEJVNCS-CHWSQXEVSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCOC(C)(C)C2)CCN1 ZINC001246367895 972307954 /nfs/dbraw/zinc/30/79/54/972307954.db2.gz AYWYUAIRLHHZPK-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1CC[C@@H](NCCC2CCOCC2)C[NH2+]1 ZINC000399084984 958505164 /nfs/dbraw/zinc/50/51/64/958505164.db2.gz UCLOWASFDOYSHJ-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(C)C)N(C)C ZINC001266972279 958688990 /nfs/dbraw/zinc/68/89/90/958688990.db2.gz YRTMCDZCYSTCNN-RYUDHWBXSA-N 1 3 243.395 1.077 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CC[C@](C)(CO)C1 ZINC001207274870 958843110 /nfs/dbraw/zinc/84/31/10/958843110.db2.gz GVIVPIQVGNEGEA-ZDUSSCGKSA-N 1 3 228.380 1.279 20 0 BDADHO NC[C@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000308868042 959101373 /nfs/dbraw/zinc/10/13/73/959101373.db2.gz RHYYKOYQDLWTAL-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000308868042 959101378 /nfs/dbraw/zinc/10/13/78/959101378.db2.gz RHYYKOYQDLWTAL-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO CN1CC[C@@H]([NH2+]CC2(C)OCCO2)CC1(C)C ZINC001331277000 974669566 /nfs/dbraw/zinc/66/95/66/974669566.db2.gz DOFGFCYHAXSCPN-LLVKDONJSA-N 1 3 242.363 1.212 20 0 BDADHO CSCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246529481 972418079 /nfs/dbraw/zinc/41/80/79/972418079.db2.gz KMQBXEHAFRRZTC-NXEZZACHSA-N 1 3 202.367 1.551 20 0 BDADHO CSCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246529481 972418088 /nfs/dbraw/zinc/41/80/88/972418088.db2.gz KMQBXEHAFRRZTC-NXEZZACHSA-N 1 3 202.367 1.551 20 0 BDADHO F[C@H]1CNCC[C@@H]1Oc1ccc2c(c1)C[NH2+]C2 ZINC001218065064 959851071 /nfs/dbraw/zinc/85/10/71/959851071.db2.gz CRBQLRIFIIFZMR-STQMWFEESA-N 1 3 236.290 1.369 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CO)CC2)CCN1 ZINC000709467564 960614226 /nfs/dbraw/zinc/61/42/26/960614226.db2.gz UOZFVKAPBBTGBR-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CO)CC2)CCN1 ZINC000709467564 960614238 /nfs/dbraw/zinc/61/42/38/960614238.db2.gz UOZFVKAPBBTGBR-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@H](O)CCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709488509 960622558 /nfs/dbraw/zinc/62/25/58/960622558.db2.gz BHCTVOQGKBFTNM-OCIKQUFWSA-N 1 3 224.348 1.115 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cnco3)C2)CC1 ZINC001140932604 960712549 /nfs/dbraw/zinc/71/25/49/960712549.db2.gz USRVELVMULFXKY-UHFFFAOYSA-N 1 3 235.331 1.592 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724417766 961430668 /nfs/dbraw/zinc/43/06/68/961430668.db2.gz AIOMVYSEDCIMTE-NZEXEKPDSA-N 1 3 226.364 1.612 20 0 BDADHO CN(C)CC[NH+](CCN(C)C)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167941480 962195713 /nfs/dbraw/zinc/19/57/13/962195713.db2.gz ZHXNKLNLJKKEEB-BTTYYORXSA-N 1 3 239.407 1.210 20 0 BDADHO CC(C)[N@H+](CCCN)[C@@H]1CCO[C@H](C)C1 ZINC001168073466 963605849 /nfs/dbraw/zinc/60/58/49/963605849.db2.gz CNZYRTWYKWKQBL-VXGBXAGGSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@@H]1CCO[C@H](C)C1 ZINC001168073466 963605864 /nfs/dbraw/zinc/60/58/64/963605864.db2.gz CNZYRTWYKWKQBL-VXGBXAGGSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)N(C(=O)[C@@H](N)CCCC[NH3+])C(C)C ZINC001157459047 963616915 /nfs/dbraw/zinc/61/69/15/963616915.db2.gz VLMKASVOLAGJMJ-NSHDSACASA-N 1 3 229.368 1.088 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCCOC1 ZINC000822123834 963939086 /nfs/dbraw/zinc/93/90/86/963939086.db2.gz GDCLUWSUZHSNNQ-NEPJUHHUSA-N 1 3 212.337 1.239 20 0 BDADHO CC(C)(C)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000200046145 964563667 /nfs/dbraw/zinc/56/36/67/964563667.db2.gz TTWMJZWPLQIETG-UHFFFAOYSA-N 1 3 240.391 1.706 20 0 BDADHO COCC[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000697870293 964595407 /nfs/dbraw/zinc/59/54/07/964595407.db2.gz KNOSDDLXFRFYTQ-QWRGUYRKSA-N 1 3 202.342 1.341 20 0 BDADHO NCc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162405306 964966418 /nfs/dbraw/zinc/96/64/18/964966418.db2.gz UGFGZZGVDAJMAP-NXEZZACHSA-N 1 3 220.320 1.222 20 0 BDADHO CC1(CCN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000698094248 964998772 /nfs/dbraw/zinc/99/87/72/964998772.db2.gz ZPWOSDKYFUAYAA-NWBUJAPZSA-N 1 3 220.360 1.763 20 0 BDADHO C[C@@H]1C[C@@H](CNc2ccc(CN(C)C)cn2)C[NH2+]1 ZINC001162553171 965045310 /nfs/dbraw/zinc/04/53/10/965045310.db2.gz WZNFYXHBRWCWSM-DGCLKSJQSA-N 1 3 248.374 1.553 20 0 BDADHO N[C@H]1CC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400724 965204262 /nfs/dbraw/zinc/20/42/62/965204262.db2.gz QHVAZZLAFWRWBU-KBPBESRZSA-N 1 3 234.318 1.716 20 0 BDADHO N[C@H]1CC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168400724 965204269 /nfs/dbraw/zinc/20/42/69/965204269.db2.gz QHVAZZLAFWRWBU-KBPBESRZSA-N 1 3 234.318 1.716 20 0 BDADHO CC(C)N(c1cc(N)ccn1)C(C)(C)C[NH3+] ZINC001163186579 965289369 /nfs/dbraw/zinc/28/93/69/965289369.db2.gz GYWHJNYMEOHYCW-UHFFFAOYSA-N 1 3 222.336 1.616 20 0 BDADHO c1cc2c(s1)[C@H](Nc1cc[nH+]cc1)CNC2 ZINC001163220041 965309270 /nfs/dbraw/zinc/30/92/70/965309270.db2.gz KJMDGWLDOBHYQX-LLVKDONJSA-N 1 3 231.324 1.821 20 0 BDADHO Cc1nc(N(C)CC[NH3+])cc2[nH]ccc21 ZINC001163688310 965510590 /nfs/dbraw/zinc/51/05/90/965510590.db2.gz YJRJSBWIKVDGEV-UHFFFAOYSA-N 1 3 204.277 1.266 20 0 BDADHO CC(C)(O)/C=C/c1cc(N2CC[NH2+]CC2)ccn1 ZINC001239154438 966832270 /nfs/dbraw/zinc/83/22/70/966832270.db2.gz AIMMOHZWQYDIAY-HWKANZROSA-N 1 3 247.342 1.275 20 0 BDADHO C[C@]1([NH3+])CCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001204789913 967169630 /nfs/dbraw/zinc/16/96/30/967169630.db2.gz DXRHFPVXGZXJAE-ZDUSSCGKSA-N 1 3 230.315 1.486 20 0 BDADHO C[C@]1([NH3+])CCN(Cc2cc3cnccc3[nH]2)C1 ZINC001204789913 967169640 /nfs/dbraw/zinc/16/96/40/967169640.db2.gz DXRHFPVXGZXJAE-ZDUSSCGKSA-N 1 3 230.315 1.486 20 0 BDADHO CCc1cccc(CN2CCC(C[NH3+])CC2)n1 ZINC001205052775 967310281 /nfs/dbraw/zinc/31/02/81/967310281.db2.gz CWKQUCKCNROSIK-UHFFFAOYSA-N 1 3 233.359 1.815 20 0 BDADHO N[C@H]1CCC[N@H+](CC2CCSCC2)CC1 ZINC001205094588 967336349 /nfs/dbraw/zinc/33/63/49/967336349.db2.gz NCJIICAORPZBRY-LBPRGKRZSA-N 1 3 228.405 1.943 20 0 BDADHO N[C@H]1CCC[N@@H+](CC2CCSCC2)CC1 ZINC001205094588 967336357 /nfs/dbraw/zinc/33/63/57/967336357.db2.gz NCJIICAORPZBRY-LBPRGKRZSA-N 1 3 228.405 1.943 20 0 BDADHO N[C@@H]1CCC[N@H+](CC2CCSCC2)CC1 ZINC001205094587 967341084 /nfs/dbraw/zinc/34/10/84/967341084.db2.gz NCJIICAORPZBRY-GFCCVEGCSA-N 1 3 228.405 1.943 20 0 BDADHO N[C@@H]1CCC[N@@H+](CC2CCSCC2)CC1 ZINC001205094587 967341094 /nfs/dbraw/zinc/34/10/94/967341094.db2.gz NCJIICAORPZBRY-GFCCVEGCSA-N 1 3 228.405 1.943 20 0 BDADHO Cc1nc(CN2CCC[C@@](F)(C[NH3+])CC2)c[nH]1 ZINC001205579280 967705813 /nfs/dbraw/zinc/70/58/13/967705813.db2.gz LYUFEGFKNFVFTQ-LBPRGKRZSA-N 1 3 240.326 1.371 20 0 BDADHO [NH3+]CC1CCN(Cc2cnn3ccccc23)CC1 ZINC001205053462 967766673 /nfs/dbraw/zinc/76/66/73/967766673.db2.gz NKHIFLCECUESHJ-UHFFFAOYSA-N 1 3 244.342 1.505 20 0 BDADHO CCCN(CCC[NH+](C)C)C[C@H](C)OC ZINC001205697037 967786195 /nfs/dbraw/zinc/78/61/95/967786195.db2.gz RTVQFBRNZPQXAH-LBPRGKRZSA-N 1 3 216.369 1.685 20 0 BDADHO C[C@@H]1CN(Cc2ncc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992132 967942826 /nfs/dbraw/zinc/94/28/26/967942826.db2.gz DUXUDMGDFVJQJH-GHMZBOCLSA-N 1 3 222.336 1.217 20 0 BDADHO Cc1cc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC001205996085 967945958 /nfs/dbraw/zinc/94/59/58/967945958.db2.gz UOEJNXXVKBXDRU-PWSUYJOCSA-N 1 3 237.347 1.790 20 0 BDADHO Cc1c[nH]c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c1C ZINC001206175234 968107114 /nfs/dbraw/zinc/10/71/14/968107114.db2.gz SULSETAVUITVFI-NEPJUHHUSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1c[nH]c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c1C ZINC001206175234 968107121 /nfs/dbraw/zinc/10/71/21/968107121.db2.gz SULSETAVUITVFI-NEPJUHHUSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1c[nH]c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c1C ZINC001206175236 968111013 /nfs/dbraw/zinc/11/10/13/968111013.db2.gz SULSETAVUITVFI-RYUDHWBXSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1c[nH]c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c1C ZINC001206175236 968111020 /nfs/dbraw/zinc/11/10/20/968111020.db2.gz SULSETAVUITVFI-RYUDHWBXSA-N 1 3 239.338 1.893 20 0 BDADHO C[C@H](CCO)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000685979269 968173447 /nfs/dbraw/zinc/17/34/47/968173447.db2.gz RIDGQIWSYHMDLJ-GRYCIOLGSA-N 1 3 214.353 1.220 20 0 BDADHO CC(C)N(CCC[NH3+])c1ccc2c(n1)CNCC2 ZINC001164121422 968175751 /nfs/dbraw/zinc/17/57/51/968175751.db2.gz LQRNSDWFYVMLTR-UHFFFAOYSA-N 1 3 248.374 1.291 20 0 BDADHO C(C[NH+]1CCCC1)O[C@H]1CN2CCC1CC2 ZINC001206310060 968218777 /nfs/dbraw/zinc/21/87/77/968218777.db2.gz ZVSJQQZEQQJNFY-ZDUSSCGKSA-N 1 3 224.348 1.193 20 0 BDADHO NC[C@H]1C[N@H+](CCC2CCCCC2)C[C@H]1O ZINC001206457524 968317655 /nfs/dbraw/zinc/31/76/55/968317655.db2.gz RJTJSTNAFBGXFA-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1O ZINC001206457524 968317667 /nfs/dbraw/zinc/31/76/67/968317667.db2.gz RJTJSTNAFBGXFA-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO [NH3+]C[C@H]1CN(Cc2cccc3ccoc32)C[C@H]1O ZINC001206480979 968333745 /nfs/dbraw/zinc/33/37/45/968333745.db2.gz NQTSVRQTYGWTRU-QWHCGFSZSA-N 1 3 246.310 1.184 20 0 BDADHO [NH3+]C[C@H]1CN(CC2CCC(F)(F)CC2)C[C@@H]1O ZINC001206507041 968343885 /nfs/dbraw/zinc/34/38/85/968343885.db2.gz YARGLMSLSAFFFW-QWRGUYRKSA-N 1 3 248.317 1.063 20 0 BDADHO CC1(C[NH3+])CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001206730363 968445293 /nfs/dbraw/zinc/44/52/93/968445293.db2.gz UNLZNISVMHKCMJ-UHFFFAOYSA-N 1 3 230.315 1.344 20 0 BDADHO CC1(C[NH3+])CN(Cc2cc3cnccc3[nH]2)C1 ZINC001206730363 968445296 /nfs/dbraw/zinc/44/52/96/968445296.db2.gz UNLZNISVMHKCMJ-UHFFFAOYSA-N 1 3 230.315 1.344 20 0 BDADHO CC[NH+]1CCC(CN2CC3(CCN3C)C2)CC1 ZINC001276492673 968470346 /nfs/dbraw/zinc/47/03/46/968470346.db2.gz XWAQBNLKBLPRPP-UHFFFAOYSA-N 1 3 237.391 1.108 20 0 BDADHO CN(C)CC(C)(C)C[N@@H+]1CCC2(CN(C)C2)C1 ZINC001207288593 968719176 /nfs/dbraw/zinc/71/91/76/968719176.db2.gz SXWWCMXWPACQCD-UHFFFAOYSA-N 1 3 239.407 1.212 20 0 BDADHO CN(C)CC(C)(C)C[N@H+]1CCC2(CN(C)C2)C1 ZINC001207288593 968719179 /nfs/dbraw/zinc/71/91/79/968719179.db2.gz SXWWCMXWPACQCD-UHFFFAOYSA-N 1 3 239.407 1.212 20 0 BDADHO CN(CC(C)(C)C[NH+](C)C)CC1(C)COC1 ZINC001207285917 968719716 /nfs/dbraw/zinc/71/97/16/968719716.db2.gz QJGNVORDKIAVJX-UHFFFAOYSA-N 1 3 228.380 1.543 20 0 BDADHO CCC[C@@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001252806254 968995019 /nfs/dbraw/zinc/99/50/19/968995019.db2.gz ROKAQETWCOXSQF-GFCCVEGCSA-N 1 3 247.342 1.856 20 0 BDADHO C[NH+]1CCC(C)(CN2CC3(COC3)C2)CC1 ZINC001208105483 969003006 /nfs/dbraw/zinc/00/30/06/969003006.db2.gz VUSACQWVGCLRNU-UHFFFAOYSA-N 1 3 224.348 1.051 20 0 BDADHO CN1CCC=C(c2ccccc2C[NH3+])C1 ZINC001241571126 969068021 /nfs/dbraw/zinc/06/80/21/969068021.db2.gz TYKXZFKKTSHDBY-UHFFFAOYSA-N 1 3 202.301 1.864 20 0 BDADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185360 969103359 /nfs/dbraw/zinc/10/33/59/969103359.db2.gz FXAADIBSANZMMY-ZDEQEGDKSA-N 1 3 244.354 1.121 20 0 BDADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253185360 969103365 /nfs/dbraw/zinc/10/33/65/969103365.db2.gz FXAADIBSANZMMY-ZDEQEGDKSA-N 1 3 244.354 1.121 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCCN(C)C1)C2 ZINC001169095724 969385377 /nfs/dbraw/zinc/38/53/77/969385377.db2.gz SBEMULHCOIGAJT-YIYPIFLZSA-N 1 3 237.391 1.295 20 0 BDADHO C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cnn(C)c1 ZINC001169102166 969397697 /nfs/dbraw/zinc/39/76/97/969397697.db2.gz XVCQUAMHFIVXPF-DEQVHRJGSA-N 1 3 248.374 1.696 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001169101508 969399280 /nfs/dbraw/zinc/39/92/80/969399280.db2.gz SYWYNAHVZIPPQV-PPCPHDFISA-N 1 3 242.338 1.328 20 0 BDADHO CC(C)[N@H+]([C@H]1CCCN(C)CC1)C(C)(C)CN ZINC001254514388 969688918 /nfs/dbraw/zinc/68/89/18/969688918.db2.gz KXMGDEKIZRDLSA-ZDUSSCGKSA-N 1 3 241.423 1.918 20 0 BDADHO CC(C)[N@@H+]([C@H]1CCCN(C)CC1)C(C)(C)CN ZINC001254514388 969688924 /nfs/dbraw/zinc/68/89/24/969688924.db2.gz KXMGDEKIZRDLSA-ZDUSSCGKSA-N 1 3 241.423 1.918 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001254529295 969726746 /nfs/dbraw/zinc/72/67/46/969726746.db2.gz LQOOGCWIFUJGDG-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001254529295 969726755 /nfs/dbraw/zinc/72/67/55/969726755.db2.gz LQOOGCWIFUJGDG-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)CC2)[C@@H](C)CO1 ZINC001254529483 969729045 /nfs/dbraw/zinc/72/90/45/969729045.db2.gz GKMDUCQIYIZRRB-YNEHKIRRSA-N 1 3 226.364 1.580 20 0 BDADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)CC2)[C@@H](C)CO1 ZINC001254529483 969729056 /nfs/dbraw/zinc/72/90/56/969729056.db2.gz GKMDUCQIYIZRRB-YNEHKIRRSA-N 1 3 226.364 1.580 20 0 BDADHO C/C=C(\NC=[NH2+])N1CCCc2ccc(CN)nc21 ZINC001169584157 969785333 /nfs/dbraw/zinc/78/53/33/969785333.db2.gz KLPHXOOUMJPDPK-SWGQDTFXSA-N 1 3 245.330 1.351 20 0 BDADHO C[C@H](N)c1nccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832947 969795994 /nfs/dbraw/zinc/79/59/94/969795994.db2.gz KWRHMTXZONCQAJ-CMPLNLGQSA-N 1 3 234.347 1.560 20 0 BDADHO CCCN1C[C@@H]2C[NH+](C3CCOCC3)C[C@H]2C1 ZINC001255047141 969866697 /nfs/dbraw/zinc/86/66/97/969866697.db2.gz KLLYWGRCQOPMSA-CHWSQXEVSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CC[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001255415270 970134781 /nfs/dbraw/zinc/13/47/81/970134781.db2.gz GRGUUBALCUYFOT-NSHDSACASA-N 1 3 236.294 1.230 20 0 BDADHO CN1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255415268 970137035 /nfs/dbraw/zinc/13/70/35/970137035.db2.gz GNTKNYGRHAJGGD-NSHDSACASA-N 1 3 218.304 1.091 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC001255533190 970295993 /nfs/dbraw/zinc/29/59/93/970295993.db2.gz WSARAIVVAHXENG-WDEREUQCSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC001255533190 970296011 /nfs/dbraw/zinc/29/60/11/970296011.db2.gz WSARAIVVAHXENG-WDEREUQCSA-N 1 3 214.353 1.471 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC1(CO)CCC1 ZINC001255950269 970565690 /nfs/dbraw/zinc/56/56/90/970565690.db2.gz GOFXCSGFVUUSAF-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C1(CO)CCC1 ZINC001255950269 970565696 /nfs/dbraw/zinc/56/56/96/970565696.db2.gz GOFXCSGFVUUSAF-LBPRGKRZSA-N 1 3 228.380 1.611 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)(C)CO ZINC001255940521 970572256 /nfs/dbraw/zinc/57/22/56/970572256.db2.gz CWNLOIFKSYXFQO-GFCCVEGCSA-N 1 3 230.396 1.715 20 0 BDADHO CCOC(=O)CC[NH2+][C@H](C)CCN(CC)CC ZINC001255940938 970569346 /nfs/dbraw/zinc/56/93/46/970569346.db2.gz JJWUDQJANHFGDP-GFCCVEGCSA-N 1 3 244.379 1.650 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC(C)(C)CO ZINC001255939733 970571678 /nfs/dbraw/zinc/57/16/78/970571678.db2.gz IMIMHBUXJWZOCQ-LLVKDONJSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C(C)(C)CO ZINC001255939733 970571685 /nfs/dbraw/zinc/57/16/85/970571685.db2.gz IMIMHBUXJWZOCQ-LLVKDONJSA-N 1 3 216.369 1.467 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CCCO1 ZINC001255940186 970572578 /nfs/dbraw/zinc/57/25/78/970572578.db2.gz RUABGLLXXVFCJK-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC001255940186 970572587 /nfs/dbraw/zinc/57/25/87/970572587.db2.gz RUABGLLXXVFCJK-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NC[C@@H](C)O ZINC001255940034 970573410 /nfs/dbraw/zinc/57/34/10/970573410.db2.gz LUNTWFFAGSAHKM-WDEREUQCSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H](C)O ZINC001255940034 970573414 /nfs/dbraw/zinc/57/34/14/970573414.db2.gz LUNTWFFAGSAHKM-WDEREUQCSA-N 1 3 202.342 1.077 20 0 BDADHO CN(C)C1(C)CN(C2CC[NH+](C3CC3)CC2)C1 ZINC001256080509 970646466 /nfs/dbraw/zinc/64/64/66/970646466.db2.gz YAVMWAPEAUPOQQ-UHFFFAOYSA-N 1 3 237.391 1.249 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246591703 972998800 /nfs/dbraw/zinc/99/88/00/972998800.db2.gz NNZMVYXBJYZYJS-YIYPIFLZSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246591703 972998811 /nfs/dbraw/zinc/99/88/11/972998811.db2.gz NNZMVYXBJYZYJS-YIYPIFLZSA-N 1 3 240.391 1.610 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3C[C@@]3(N)C1)C2 ZINC001246867270 973238675 /nfs/dbraw/zinc/23/86/75/973238675.db2.gz HRLPYVQSAPWOKP-PEBLQZBPSA-N 1 3 235.375 1.035 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3C[C@@]3(N)C1)C2 ZINC001246867270 973238694 /nfs/dbraw/zinc/23/86/94/973238694.db2.gz HRLPYVQSAPWOKP-PEBLQZBPSA-N 1 3 235.375 1.035 20 0 BDADHO C1=C2NCCN([C@@H]3CCC[NH2+]CC3)[C@@H]2CCC1 ZINC001246991791 973782463 /nfs/dbraw/zinc/78/24/63/973782463.db2.gz BXILAIFYMRCFRO-TZMCWYRMSA-N 1 3 235.375 1.470 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246994442 973786060 /nfs/dbraw/zinc/78/60/60/973786060.db2.gz VWYSLGZONZLODE-AEBFUODCSA-N 1 3 235.375 1.048 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](N)C1CCCCC1 ZINC001329518638 973810372 /nfs/dbraw/zinc/81/03/72/973810372.db2.gz ADBBLWGHGQGEFI-HOSYDEDBSA-N 1 3 241.379 1.136 20 0 BDADHO Cc1ccc(CC[C@@H](C)NC[C@@H](O)C[NH3+])cc1 ZINC001171654972 974119924 /nfs/dbraw/zinc/11/99/24/974119924.db2.gz DBEQXIIUIUVXKH-OCCSQVGLSA-N 1 3 236.359 1.225 20 0 BDADHO C[C@H](C[N@H+]1CC[C@@H](F)[C@@H](N)CC1)C(F)(F)F ZINC001206152765 974232493 /nfs/dbraw/zinc/23/24/93/974232493.db2.gz ARVNSVNSRHGJGT-HLTSFMKQSA-N 1 3 242.260 1.946 20 0 BDADHO C[C@H](C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1)C(F)(F)F ZINC001206152765 974232507 /nfs/dbraw/zinc/23/25/07/974232507.db2.gz ARVNSVNSRHGJGT-HLTSFMKQSA-N 1 3 242.260 1.946 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CSc2ccccc2C1 ZINC001172199451 974484457 /nfs/dbraw/zinc/48/44/57/974484457.db2.gz FHLFOHIOWHBILN-PWSUYJOCSA-N 1 3 236.384 1.888 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@H]1COC(C)(C)C1)CC2 ZINC001172290139 974557375 /nfs/dbraw/zinc/55/73/75/974557375.db2.gz AVEKISCSZZPYHO-GFCCVEGCSA-N 1 3 238.375 1.582 20 0 BDADHO CCOCC[C@H](C)[NH2+]CCCN1CCCC1 ZINC001172405703 974660415 /nfs/dbraw/zinc/66/04/15/974660415.db2.gz CCIBDDWFWBYZKJ-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CC[NH+](CC)C1CCC(N2CC(C)(O)C2)CC1 ZINC001173108611 975024727 /nfs/dbraw/zinc/02/47/27/975024727.db2.gz PFFZMBKRVRLCHO-UHFFFAOYSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC001173170024 975063009 /nfs/dbraw/zinc/06/30/09/975063009.db2.gz IENPGKILGLVKHE-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC001173170024 975063001 /nfs/dbraw/zinc/06/30/01/975063001.db2.gz IENPGKILGLVKHE-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@@H](C)[C@@H](C)O ZINC001335413263 977038530 /nfs/dbraw/zinc/03/85/30/977038530.db2.gz OISYTGSSHKVNFM-NWDGAFQWSA-N 1 3 216.369 1.323 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)[C@@H](C)O ZINC001335413263 977038535 /nfs/dbraw/zinc/03/85/35/977038535.db2.gz OISYTGSSHKVNFM-NWDGAFQWSA-N 1 3 216.369 1.323 20 0 BDADHO CSC[C@@H](O)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC001335433200 977054971 /nfs/dbraw/zinc/05/49/71/977054971.db2.gz RWNLROOTPBGSLK-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@@H](O)CNC[C@@H]1CCCC[N@H+](C)C1 ZINC001335433200 977054986 /nfs/dbraw/zinc/05/49/86/977054986.db2.gz RWNLROOTPBGSLK-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@@H](O)CNC[C@@H]1CCCC[N@@H+](C)C1 ZINC001335433200 977055001 /nfs/dbraw/zinc/05/50/01/977055001.db2.gz RWNLROOTPBGSLK-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](NCC2(O)CCC2)C1(C)C ZINC001335520783 977113496 /nfs/dbraw/zinc/11/34/96/977113496.db2.gz VMDVKARDINQISE-MNOVXSKESA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@@H](O)C1CC1 ZINC001335930577 977370110 /nfs/dbraw/zinc/37/01/10/977370110.db2.gz VEDGFGRYZUBFKH-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@@H](O)C1CC1 ZINC001335930577 977370114 /nfs/dbraw/zinc/37/01/14/977370114.db2.gz VEDGFGRYZUBFKH-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H](O)C1CC1 ZINC001335930577 977370117 /nfs/dbraw/zinc/37/01/17/977370117.db2.gz VEDGFGRYZUBFKH-TZMCWYRMSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H](O)CNC1CC[NH+](CC2CCCC2)CC1 ZINC001336703223 977869597 /nfs/dbraw/zinc/86/95/97/977869597.db2.gz IYUGSIWIGPCEST-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H](O)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001336703223 977869600 /nfs/dbraw/zinc/86/96/00/977869600.db2.gz IYUGSIWIGPCEST-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)CC[C@@H](O)CNCC[C@@H](C)[NH+](C)C ZINC001336780150 977949759 /nfs/dbraw/zinc/94/97/59/977949759.db2.gz XVEDPSAYTSCQME-CHWSQXEVSA-N 1 3 230.396 1.713 20 0 BDADHO Cn1cnc(CN2CCC[C@](C)(C[NH3+])CC2)c1 ZINC001206305464 978388586 /nfs/dbraw/zinc/38/85/86/978388586.db2.gz ZVSHHZUYWPALPM-ZDUSSCGKSA-N 1 3 236.363 1.371 20 0 BDADHO c1n[nH]cc1CN1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235230473 978999457 /nfs/dbraw/zinc/99/94/57/978999457.db2.gz CFKXAIUJQZHAEZ-CQSZACIVSA-N 1 3 248.374 1.764 20 0 BDADHO N[C@H]1CN(Cc2ccc3c(c2)C[NH2+]C3)CC[C@H]1F ZINC001235905236 979198816 /nfs/dbraw/zinc/19/88/16/979198816.db2.gz FYEXBRFDYDGCMZ-KGLIPLIRSA-N 1 3 249.333 1.161 20 0 BDADHO C[N@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@@H]1N ZINC001236216903 979452956 /nfs/dbraw/zinc/45/29/56/979452956.db2.gz MBURJDBZIBZRHD-UONOGXRCSA-N 1 3 233.359 1.971 20 0 BDADHO C[N@@H+](Cc1cccc(N)c1)[C@@H]1CCCC[C@@H]1N ZINC001236216903 979452958 /nfs/dbraw/zinc/45/29/58/979452958.db2.gz MBURJDBZIBZRHD-UONOGXRCSA-N 1 3 233.359 1.971 20 0 BDADHO C[C@H]([NH3+])CN(C)CCN(C)Cc1ccccc1 ZINC001236308593 979510621 /nfs/dbraw/zinc/51/06/21/979510621.db2.gz UDHOVBNLJPJRSH-ZDUSSCGKSA-N 1 3 235.375 1.397 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001341670050 979518583 /nfs/dbraw/zinc/51/85/83/979518583.db2.gz BRVVHFCOXJAZAF-PWSUYJOCSA-N 1 3 249.358 1.847 20 0 BDADHO [O-]c1cncc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320758 979532614 /nfs/dbraw/zinc/53/26/14/979532614.db2.gz DUPUNNGIJLVTJM-BETUJISGSA-N 1 3 247.342 1.219 20 0 BDADHO [O-]c1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320758 979532622 /nfs/dbraw/zinc/53/26/22/979532622.db2.gz DUPUNNGIJLVTJM-BETUJISGSA-N 1 3 247.342 1.219 20 0 BDADHO c1nc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)co1 ZINC001236321114 979533596 /nfs/dbraw/zinc/53/35/96/979533596.db2.gz WKMCUMLVOTXRNQ-PHIMTYICSA-N 1 3 221.304 1.106 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893137 979586455 /nfs/dbraw/zinc/58/64/55/979586455.db2.gz JNZOGOBWUVLUES-WISYIIOYSA-N 1 3 241.379 1.136 20 0 BDADHO CCOC(=O)CC[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001206541755 979637794 /nfs/dbraw/zinc/63/77/94/979637794.db2.gz JPCOMEYEVUXZGQ-ZDUSSCGKSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CC[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001206541755 979637799 /nfs/dbraw/zinc/63/77/99/979637799.db2.gz JPCOMEYEVUXZGQ-ZDUSSCGKSA-N 1 3 242.363 1.391 20 0 BDADHO CC[N@H+](C1CCOCC1)[C@H]1CCN[C@@H](C)C1 ZINC000716444048 979660573 /nfs/dbraw/zinc/66/05/73/979660573.db2.gz TULYSDCXXGUVLI-AAEUAGOBSA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@@H+](C1CCOCC1)[C@H]1CCN[C@@H](C)C1 ZINC000716444048 979660583 /nfs/dbraw/zinc/66/05/83/979660583.db2.gz TULYSDCXXGUVLI-AAEUAGOBSA-N 1 3 226.364 1.628 20 0 BDADHO N[C@@H](CC1CC1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342397885 979791317 /nfs/dbraw/zinc/79/13/17/979791317.db2.gz MFQQFGSMLQBAPL-LBPRGKRZSA-N 1 3 245.326 1.356 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@H+](C[C@@H](C)N)C[C@@H]1C ZINC001237114648 979819792 /nfs/dbraw/zinc/81/97/92/979819792.db2.gz LMMRFVHBHLQUFP-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@@H+](C[C@@H](C)N)C[C@@H]1C ZINC001237114648 979819798 /nfs/dbraw/zinc/81/97/98/979819798.db2.gz LMMRFVHBHLQUFP-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO CN(C)Cc1cccc(-c2cncc(C[NH3+])c2)n1 ZINC001239790659 980932624 /nfs/dbraw/zinc/93/26/24/980932624.db2.gz PQUNDJBYJXNWOY-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO COCC1(N(C)C[C@@H]2CCC[NH2+]C2)CCC1 ZINC001348820830 981452665 /nfs/dbraw/zinc/45/26/65/981452665.db2.gz HOEVTLZOQIQJIE-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO c1cc(CNC[C@@H]2CCC[NH2+]CC2)no1 ZINC001580888032 981719986 /nfs/dbraw/zinc/71/99/86/981719986.db2.gz OYNQEFANIURFKZ-SNVBAGLBSA-N 1 3 209.293 1.154 20 0 BDADHO C[C@@H](CC[NH2+]Cc1cccc2c[nH]nc21)N(C)C ZINC001350327327 981927421 /nfs/dbraw/zinc/92/74/21/981927421.db2.gz JGWDMCOMTYFSRW-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO C[NH2+][C@@H](C)CCNC(=O)c1cccc2c1CNC2 ZINC001350399431 981962076 /nfs/dbraw/zinc/96/20/76/981962076.db2.gz UOQPYKSLHMTXER-JTQLQIEISA-N 1 3 247.342 1.018 20 0 BDADHO C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]2OCC[C@@H]21 ZINC001350399840 981962225 /nfs/dbraw/zinc/96/22/25/981962225.db2.gz ZMPATRHBACCPAH-AGIUHOORSA-N 1 3 224.348 1.239 20 0 BDADHO OCc1cnccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001351950557 982414257 /nfs/dbraw/zinc/41/42/57/982414257.db2.gz PXIDVAWNEGGDQF-STQMWFEESA-N 1 3 247.342 1.035 20 0 BDADHO OCc1cnccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC001351950557 982414261 /nfs/dbraw/zinc/41/42/61/982414261.db2.gz PXIDVAWNEGGDQF-STQMWFEESA-N 1 3 247.342 1.035 20 0 BDADHO OCc1cnccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001351950555 982416470 /nfs/dbraw/zinc/41/64/70/982416470.db2.gz PXIDVAWNEGGDQF-QWHCGFSZSA-N 1 3 247.342 1.035 20 0 BDADHO OCc1cnccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001351950555 982416478 /nfs/dbraw/zinc/41/64/78/982416478.db2.gz PXIDVAWNEGGDQF-QWHCGFSZSA-N 1 3 247.342 1.035 20 0 BDADHO CN1CC=C(c2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001241307657 982444672 /nfs/dbraw/zinc/44/46/72/982444672.db2.gz JWLVGEZGXPHPIZ-UHFFFAOYSA-N 1 3 229.327 1.446 20 0 BDADHO C[C@H]1CCOCCN1C[C@H]1CCC[NH2+]C1 ZINC001352775833 982570133 /nfs/dbraw/zinc/57/01/33/982570133.db2.gz ATAHNPUPIDXJFK-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)([NH3+])CCNC(=O)[C@H](N)C1CCCCC1 ZINC001353127316 982708710 /nfs/dbraw/zinc/70/87/10/982708710.db2.gz QQLBMBPIGOILQD-LLVKDONJSA-N 1 3 241.379 1.138 20 0 BDADHO NCc1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001242020733 983227848 /nfs/dbraw/zinc/22/78/48/983227848.db2.gz WRFRNNJVKBSQFB-MNOVXSKESA-N 1 3 215.300 1.448 20 0 BDADHO CSCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001201696759 983413463 /nfs/dbraw/zinc/41/34/63/983413463.db2.gz RAXWYCTZCWBVIL-UHFFFAOYSA-N 1 3 228.405 1.767 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001358059680 983821427 /nfs/dbraw/zinc/82/14/27/983821427.db2.gz MQNQSMBBZKNSEI-RKDXNWHRSA-N 1 3 233.315 1.212 20 0 BDADHO CN(C1CC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001202512624 983837380 /nfs/dbraw/zinc/83/73/80/983837380.db2.gz GBWNAVGPZRBEMZ-LBPRGKRZSA-N 1 3 238.375 1.582 20 0 BDADHO CCCC[C@@H](COC)N[C@H]1C[C@@H]([NH3+])C1 ZINC001577400925 984196214 /nfs/dbraw/zinc/19/62/14/984196214.db2.gz PJUPVGKDRPPULV-GARJFASQSA-N 1 3 200.326 1.271 20 0 BDADHO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](CN)C(C)C ZINC001577908513 984203881 /nfs/dbraw/zinc/20/38/81/984203881.db2.gz KNOYAHMRNJVEPF-UTUOFQBUSA-N 1 3 244.379 1.395 20 0 BDADHO C[NH2+]Cc1cccc(-c2cccc(CN)n2)c1 ZINC001242995323 984360393 /nfs/dbraw/zinc/36/03/93/984360393.db2.gz LDSHPRWZYWRYNX-UHFFFAOYSA-N 1 3 227.311 1.927 20 0 BDADHO NCC[N@H+](CCc1ccccc1)C[C@H](O)C1CC1 ZINC001580309933 984505344 /nfs/dbraw/zinc/50/53/44/984505344.db2.gz RHSVWNANLYVJPF-HNNXBMFYSA-N 1 3 248.370 1.261 20 0 BDADHO NCC[N@@H+](CCc1ccccc1)C[C@H](O)C1CC1 ZINC001580309933 984505353 /nfs/dbraw/zinc/50/53/53/984505353.db2.gz RHSVWNANLYVJPF-HNNXBMFYSA-N 1 3 248.370 1.261 20 0 BDADHO CCN(Cc1ccc(N2CC[NH2+]CC2)o1)C1CC1 ZINC001577736942 984693955 /nfs/dbraw/zinc/69/39/55/984693955.db2.gz HOAQADVVQYHOAX-UHFFFAOYSA-N 1 3 249.358 1.674 20 0 BDADHO CCOC(=O)[C@H](C)[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001577908376 984819000 /nfs/dbraw/zinc/81/90/00/984819000.db2.gz HIROBLYPYLJCFO-WYUUTHIRSA-N 1 3 242.363 1.019 20 0 BDADHO CCO[C@H](CN[C@H](C[NH3+])C1CC1)C1CC1 ZINC001578075192 984838996 /nfs/dbraw/zinc/83/89/96/984838996.db2.gz GNFCSOHAPFGVOR-VXGBXAGGSA-N 1 3 212.337 1.128 20 0 BDADHO CCO[C@@H]1CCC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001578098301 984847638 /nfs/dbraw/zinc/84/76/38/984847638.db2.gz WFGUPGIHSDILRJ-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC[C@@H]([NH3+])CC(F)(F)F ZINC001578229142 984880942 /nfs/dbraw/zinc/88/09/42/984880942.db2.gz WCJRTHHRPRYJMP-YIZRAAEISA-N 1 3 240.269 1.423 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC001578622059 985233976 /nfs/dbraw/zinc/23/39/76/985233976.db2.gz NBJUNBXQTZCYEI-DYEKYZERSA-N 1 3 242.407 1.761 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622344 985234616 /nfs/dbraw/zinc/23/46/16/985234616.db2.gz SCGWUHOIHVAJQI-WCQYABFASA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC001578622344 985234633 /nfs/dbraw/zinc/23/46/33/985234633.db2.gz SCGWUHOIHVAJQI-WCQYABFASA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC001578622057 985236391 /nfs/dbraw/zinc/23/63/91/985236391.db2.gz NBJUNBXQTZCYEI-BZPMIXESSA-N 1 3 242.407 1.761 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H](C)CC(C)(C)CC(=O)OC ZINC001578638545 985247476 /nfs/dbraw/zinc/24/74/76/985247476.db2.gz PGTFEWIHKQQGLX-MNOVXSKESA-N 1 3 244.379 1.552 20 0 BDADHO C[NH2+]C[C@H](O)CN(C)C[C@@H]1CCCC[C@@H]1C ZINC001578652175 985258610 /nfs/dbraw/zinc/25/86/10/985258610.db2.gz FWYVCEYMVVEWSW-AVGNSLFASA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@H](O)C[N@H+](C)CCC1CCCCCC1 ZINC001578652993 985266189 /nfs/dbraw/zinc/26/61/89/985266189.db2.gz SAEMDUTXOBKXOB-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO CNC[C@H](O)C[N@@H+](C)CCC1CCCCCC1 ZINC001578652993 985266200 /nfs/dbraw/zinc/26/62/00/985266200.db2.gz SAEMDUTXOBKXOB-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO COC(=O)CC(C)(C)N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001578802506 985368560 /nfs/dbraw/zinc/36/85/60/985368560.db2.gz SSWJZZGHKMHXBE-MNOVXSKESA-N 1 3 242.363 1.115 20 0 BDADHO CO[C@@H](CN[C@H]1C[C@H]([NH3+])C1)C1CCCC1 ZINC001578913310 985494567 /nfs/dbraw/zinc/49/45/67/985494567.db2.gz UXCSBWSYVIVJTR-SRVKXCTJSA-N 1 3 212.337 1.271 20 0 BDADHO CCCC[NH+]1CCC(N[C@H]2COC[C@H]2C)CC1 ZINC000688026634 985504343 /nfs/dbraw/zinc/50/43/43/985504343.db2.gz WASNEEUGQPWJDM-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000688030319 985507299 /nfs/dbraw/zinc/50/72/99/985507299.db2.gz QXDIHBQLQROKGR-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2COC[C@H]2C)C1 ZINC000688030319 985507304 /nfs/dbraw/zinc/50/73/04/985507304.db2.gz QXDIHBQLQROKGR-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2COC[C@H]2C)C1 ZINC000688030319 985507319 /nfs/dbraw/zinc/50/73/19/985507319.db2.gz QXDIHBQLQROKGR-JHJVBQTASA-N 1 3 226.364 1.343 20 0 BDADHO COC1(CN[C@H](C)C[NH3+])CCCCCC1 ZINC001578930168 985536805 /nfs/dbraw/zinc/53/68/05/985536805.db2.gz PKHUEYYCAMNKQQ-LLVKDONJSA-N 1 3 214.353 1.663 20 0 BDADHO C[C@H]([C@H](C)O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC001459524360 985515854 /nfs/dbraw/zinc/51/58/54/985515854.db2.gz CNLGMUNGMLZULD-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO COC1(CN2CC[C@H]3CC[C@@]32C[NH3+])CCC1 ZINC001578926744 985524615 /nfs/dbraw/zinc/52/46/15/985524615.db2.gz MTWYQJCAQXAXQU-DGCLKSJQSA-N 1 3 224.348 1.369 20 0 BDADHO C[C@H](C[NH2+][C@H]1COC[C@@H]1C)CN1CCCC1 ZINC000688048773 985532877 /nfs/dbraw/zinc/53/28/77/985532877.db2.gz OSCARCIJPOCHAH-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](CN[C@H]1COC[C@@H]1C)C[NH+]1CCCC1 ZINC000688048773 985532885 /nfs/dbraw/zinc/53/28/85/985532885.db2.gz OSCARCIJPOCHAH-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO COC1(CCN2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578927369 985534606 /nfs/dbraw/zinc/53/46/06/985534606.db2.gz WLGKMBLFPBHXOW-TZMCWYRMSA-N 1 3 238.375 1.759 20 0 BDADHO COC[C@@H](C[NH2+]C[C@H](N)CCC(C)(C)C)OC ZINC001578961314 985587381 /nfs/dbraw/zinc/58/73/81/985587381.db2.gz HHSHXVFBAUPLTA-VXGBXAGGSA-N 1 3 246.395 1.391 20 0 BDADHO COCC[C@H](N)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000026 985646542 /nfs/dbraw/zinc/64/65/42/985646542.db2.gz NCZCENCHHOATNN-DZGCQCFKSA-N 1 3 248.370 1.970 20 0 BDADHO COCC[C@H](N)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001579000026 985646558 /nfs/dbraw/zinc/64/65/58/985646558.db2.gz NCZCENCHHOATNN-DZGCQCFKSA-N 1 3 248.370 1.970 20 0 BDADHO COC(=O)CC[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC001258355901 985835742 /nfs/dbraw/zinc/83/57/42/985835742.db2.gz LRXDFKYNJPPJNG-NEPJUHHUSA-N 1 3 242.363 1.402 20 0 BDADHO CS[C@H]1CC[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC001579366916 985861264 /nfs/dbraw/zinc/86/12/64/985861264.db2.gz GJQJFAMWCBDFJK-RCWTZXSCSA-N 1 3 214.378 1.326 20 0 BDADHO Cc1ccc(CNCC2(C)CC[NH+](C)CC2)nn1 ZINC001461373357 986042439 /nfs/dbraw/zinc/04/24/39/986042439.db2.gz LHLYIXCEOYSIFO-UHFFFAOYSA-N 1 3 248.374 1.607 20 0 BDADHO Cc1c[nH]c(CNC[C@H]2CCC[NH2+]CC2)n1 ZINC001579548111 986078177 /nfs/dbraw/zinc/07/81/77/986078177.db2.gz XMOBURQECZUXPH-NSHDSACASA-N 1 3 222.336 1.197 20 0 BDADHO Cc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCN2)cc1 ZINC001579684934 986179063 /nfs/dbraw/zinc/17/90/63/986179063.db2.gz ZDEAPVVXPLMKQB-JSGCOSHPSA-N 1 3 218.344 1.878 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)c1C ZINC001461832192 986196150 /nfs/dbraw/zinc/19/61/50/986196150.db2.gz VITPJPJLMMFDCT-YNEHKIRRSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1C ZINC001461832192 986196153 /nfs/dbraw/zinc/19/61/53/986196153.db2.gz VITPJPJLMMFDCT-YNEHKIRRSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1cn(C)nc1CNC1(C2CC[NH2+]CC2)CC1 ZINC001579818097 986237024 /nfs/dbraw/zinc/23/70/24/986237024.db2.gz GBCJEKBWDXMURL-UHFFFAOYSA-N 1 3 248.374 1.350 20 0 BDADHO Cc1nc([C@@H](C)N(C)CC2CC[NH2+]CC2)n[nH]1 ZINC001579837656 986261956 /nfs/dbraw/zinc/26/19/56/986261956.db2.gz QDJSPIQYWCLVOX-SECBINFHSA-N 1 3 237.351 1.106 20 0 BDADHO OCCCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000710016899 986359441 /nfs/dbraw/zinc/35/94/41/986359441.db2.gz RYXPOKAHJMEMNM-CYBMUJFWSA-N 1 3 226.364 1.225 20 0 BDADHO CSC1(C[NH2+]C[C@@H]2CN3CCC2CC3)CC1 ZINC001462632709 986466568 /nfs/dbraw/zinc/46/65/68/986466568.db2.gz FEXWWOZSKDMLPK-GFCCVEGCSA-N 1 3 240.416 1.813 20 0 BDADHO C[C@H](Cc1ccno1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001462671032 986491923 /nfs/dbraw/zinc/49/19/23/986491923.db2.gz QHUVCKWZPVOITE-UVLXDEKHSA-N 1 3 249.358 1.535 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@H]2C1 ZINC001462664464 986498147 /nfs/dbraw/zinc/49/81/47/986498147.db2.gz GZEKPKDCDZDXNE-CYDGBPFRSA-N 1 3 224.348 1.095 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN[C@H](c2ncccn2)C2CC2)C1 ZINC001580389918 986814679 /nfs/dbraw/zinc/81/46/79/986814679.db2.gz XDVDXIHTNYGMMJ-UHTWSYAYSA-N 1 3 246.358 1.645 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CNCc2cn(C3CCC3)nn2)C1 ZINC001580389541 986815497 /nfs/dbraw/zinc/81/54/97/986815497.db2.gz NUPNKVKZPDPLSH-WDEREUQCSA-N 1 3 249.362 1.220 20 0 BDADHO C[N@@H+]1CC[C@@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255437689 986959021 /nfs/dbraw/zinc/95/90/21/986959021.db2.gz DOYASAGMJSTNHG-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO C[N@H+]1CC[C@@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255437689 986959031 /nfs/dbraw/zinc/95/90/31/986959031.db2.gz DOYASAGMJSTNHG-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)Cc1cncc(-c2ccncc2C[NH3+])c1 ZINC001245563057 986959254 /nfs/dbraw/zinc/95/92/54/986959254.db2.gz XTTGVGAHUFHZMH-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCC(=O)OC ZINC001255942746 987076897 /nfs/dbraw/zinc/07/68/97/987076897.db2.gz AUWFIRPOUMOQQD-LLVKDONJSA-N 1 3 230.352 1.260 20 0 BDADHO COCC[N@H+](C)C1CCN(C(C)(C)C)CC1 ZINC001256568839 987235394 /nfs/dbraw/zinc/23/53/94/987235394.db2.gz HJGOKFGDZOWOJX-UHFFFAOYSA-N 1 3 228.380 1.828 20 0 BDADHO COCC[N@@H+](C)C1CCN(C(C)(C)C)CC1 ZINC001256568839 987235415 /nfs/dbraw/zinc/23/54/15/987235415.db2.gz HJGOKFGDZOWOJX-UHFFFAOYSA-N 1 3 228.380 1.828 20 0 BDADHO CCCC[C@H](O)CNC[C@@H]1CCC[NH2+][C@@H]1C ZINC001245975964 987248395 /nfs/dbraw/zinc/24/83/95/987248395.db2.gz AKSBCWVRDLMQTI-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO CCCC[C@@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245980232 987259720 /nfs/dbraw/zinc/25/97/20/987259720.db2.gz HLMDUTSNNYKQNR-VXGBXAGGSA-N 1 3 214.353 1.127 20 0 BDADHO CCCCC[C@H](O)CNC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001245988705 987273113 /nfs/dbraw/zinc/27/31/13/987273113.db2.gz FEZJZPHGIVMINI-IHRRRGAJSA-N 1 3 242.407 1.763 20 0 BDADHO CCCC[C@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246016088 987294312 /nfs/dbraw/zinc/29/43/12/987294312.db2.gz FNQKPBRFVCZSKD-TUAOUCFPSA-N 1 3 214.353 1.397 20 0 BDADHO CC(C)(C)[C@H](O)CN1CCCC[C@](F)(C[NH3+])C1 ZINC001246025923 987319260 /nfs/dbraw/zinc/31/92/60/987319260.db2.gz YHIQSBVKTVPORE-YPMHNXCESA-N 1 3 246.370 1.546 20 0 BDADHO COCCN(CCF)CCCC1CC[NH2+]CC1 ZINC000697278729 987351788 /nfs/dbraw/zinc/35/17/88/987351788.db2.gz ZACATEONTDTGKK-UHFFFAOYSA-N 1 3 246.370 1.684 20 0 BDADHO C(CN1CCCCCC1)NC1=[NH+]CCCCN1 ZINC000697670440 987363226 /nfs/dbraw/zinc/36/32/26/987363226.db2.gz KTBCGZFITUXRRL-UHFFFAOYSA-N 1 3 238.379 1.191 20 0 BDADHO C[C@@H](CC[NH2+]C[C@H]1CCCOC1)N(C)C ZINC000697890541 987366949 /nfs/dbraw/zinc/36/69/49/987366949.db2.gz OJPGWABSMXGORX-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO Fc1cccc2c1C[C@@H](NC1CC[NH2+]CC1)C2 ZINC001246076324 987367210 /nfs/dbraw/zinc/36/72/10/987367210.db2.gz CEBRLTWTJUKNSA-LBPRGKRZSA-N 1 3 234.318 1.635 20 0 BDADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCNCC1)C2 ZINC001246076324 987367216 /nfs/dbraw/zinc/36/72/16/987367216.db2.gz CEBRLTWTJUKNSA-LBPRGKRZSA-N 1 3 234.318 1.635 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCNC[C@@H]1F ZINC001246080117 987373600 /nfs/dbraw/zinc/37/36/00/987373600.db2.gz DRJPCFJTWGECBJ-RWMBFGLXSA-N 1 3 245.386 1.396 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCNC[C@H]2F)CC1 ZINC001246084677 987383057 /nfs/dbraw/zinc/38/30/57/987383057.db2.gz GJZNIFYVWPZWIJ-CHWSQXEVSA-N 1 3 243.370 1.149 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246089412 987394885 /nfs/dbraw/zinc/39/48/85/987394885.db2.gz CUGLZIUCMOGRMQ-WOPDTQHZSA-N 1 3 242.363 1.306 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CCN1 ZINC001246094414 987404857 /nfs/dbraw/zinc/40/48/57/987404857.db2.gz XPKSUJGPKJSMNU-ZDEQEGDKSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CCN1 ZINC001246094398 987405111 /nfs/dbraw/zinc/40/51/11/987405111.db2.gz XPKSUJGPKJSMNU-LPWJVIDDSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099680 987416389 /nfs/dbraw/zinc/41/63/89/987416389.db2.gz MHGKPVFXXNFLMN-MJBXVCDLSA-N 1 3 247.386 1.848 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](CN[C@H]2CCCOC2)C1 ZINC001246099665 987419864 /nfs/dbraw/zinc/41/98/64/987419864.db2.gz MGMAEDHOTSTBQF-TUAOUCFPSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104024 987429802 /nfs/dbraw/zinc/42/98/02/987429802.db2.gz ZOCLKUIIJNOBOH-IJLUTSLNSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1CCCOC1 ZINC001246111929 987445977 /nfs/dbraw/zinc/44/59/77/987445977.db2.gz PNJLWSRYSCTDFT-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CCN1 ZINC001246112438 987450428 /nfs/dbraw/zinc/45/04/28/987450428.db2.gz UHCMVHZKZVOGRJ-CHWFTXMASA-N 1 3 200.301 1.607 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246129603 987479583 /nfs/dbraw/zinc/47/95/83/987479583.db2.gz GFHAUDMMXKBOFW-TUAOUCFPSA-N 1 3 224.348 1.286 20 0 BDADHO CC[C@H](C)C[C@H](CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134591 987490071 /nfs/dbraw/zinc/49/00/71/987490071.db2.gz NUDOHTPFSHYQBS-ODXJTPSBSA-N 1 3 240.391 1.778 20 0 BDADHO O=C1C[C@@H]2CC([NH2+][C@H]3CNCC34CC4)C[C@H]2C1 ZINC001246134578 987490311 /nfs/dbraw/zinc/49/03/11/987490311.db2.gz RHVOCMOJJMLSLI-KWBADKCTSA-N 1 3 234.343 1.086 20 0 BDADHO CCCCCC[C@H](C)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139671 987498403 /nfs/dbraw/zinc/49/84/03/987498403.db2.gz VEPAZWVWQPZOER-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO CCC1CCC(N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246147177 987504428 /nfs/dbraw/zinc/50/44/28/987504428.db2.gz KBLYHAKZTANLMG-MYXTYHMWSA-N 1 3 238.375 1.532 20 0 BDADHO Oc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246158364 987524889 /nfs/dbraw/zinc/52/48/89/987524889.db2.gz KLRJYXXYBBECKK-PBWFPOADSA-N 1 3 246.354 1.807 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCn2cccc2)CCN1 ZINC001246174463 987543376 /nfs/dbraw/zinc/54/33/76/987543376.db2.gz QKTGAOMMLBVJDJ-RYUDHWBXSA-N 1 3 207.321 1.218 20 0 BDADHO C[C@H]1C[C@@H](NCCn2cccc2)CC[NH2+]1 ZINC001246174463 987543384 /nfs/dbraw/zinc/54/33/84/987543384.db2.gz QKTGAOMMLBVJDJ-RYUDHWBXSA-N 1 3 207.321 1.218 20 0 BDADHO CCOC(=O)C1(CN[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246188509 987572873 /nfs/dbraw/zinc/57/28/73/987572873.db2.gz JVUWMHQPYURJSY-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)C1(C[NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246188509 987572888 /nfs/dbraw/zinc/57/28/88/987572888.db2.gz JVUWMHQPYURJSY-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2(C3CCOCC3)CC2)CCN1 ZINC001246195466 987584511 /nfs/dbraw/zinc/58/45/11/987584511.db2.gz OLYNWTARDKTRMI-WCQYABFASA-N 1 3 238.375 1.676 20 0 BDADHO CCOC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246193796 987585447 /nfs/dbraw/zinc/58/54/47/987585447.db2.gz QBTJGLFBYJZIPI-DCAQKATOSA-N 1 3 228.336 1.058 20 0 BDADHO COCC1(N[C@H]2CC[NH2+][C@H](C)C2)CCC1 ZINC001246196510 987590799 /nfs/dbraw/zinc/59/07/99/987590799.db2.gz SXWSAZXVQCKJRN-MNOVXSKESA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1CC[C@H](n2nc(CN)c3ccccc32)C[NH2+]1 ZINC001246199438 987594127 /nfs/dbraw/zinc/59/41/27/987594127.db2.gz JXCLXNMOTSURJA-QWRGUYRKSA-N 1 3 244.342 1.808 20 0 BDADHO c1ccc(CCCC[NH2+]C2CCNCC2)nc1 ZINC001246236975 987634562 /nfs/dbraw/zinc/63/45/62/987634562.db2.gz FJWNOXJOVPWBKO-UHFFFAOYSA-N 1 3 233.359 1.746 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@H](NCc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303317 987680963 /nfs/dbraw/zinc/68/09/63/987680963.db2.gz XGCRAMOHIMRFSL-XQQFMLRXSA-N 1 3 247.342 1.217 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@H](NCc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303317 987680968 /nfs/dbraw/zinc/68/09/68/987680968.db2.gz XGCRAMOHIMRFSL-XQQFMLRXSA-N 1 3 247.342 1.217 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303317 987680972 /nfs/dbraw/zinc/68/09/72/987680972.db2.gz XGCRAMOHIMRFSL-XQQFMLRXSA-N 1 3 247.342 1.217 20 0 BDADHO CC(=O)NCCCCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246337619 987745891 /nfs/dbraw/zinc/74/58/91/987745891.db2.gz WUSOIHVNMOCRND-AAEUAGOBSA-N 1 3 241.379 1.023 20 0 BDADHO CC(=O)NCCCCC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246335833 987746622 /nfs/dbraw/zinc/74/66/22/987746622.db2.gz MNDPDRYFLUHCCB-WCQYABFASA-N 1 3 241.379 1.023 20 0 BDADHO COC(=O)CCCC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246357420 987765670 /nfs/dbraw/zinc/76/56/70/987765670.db2.gz UJFDHWXZJUWMEZ-QWRGUYRKSA-N 1 3 228.336 1.060 20 0 BDADHO CC1(C)C[C@H](C[NH2+]C2CCNCC2)CCO1 ZINC001246374423 987775890 /nfs/dbraw/zinc/77/58/90/987775890.db2.gz VDJQIOXMWBVEHG-LLVKDONJSA-N 1 3 226.364 1.533 20 0 BDADHO CCC1([NH2+][C@@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246441247 987800413 /nfs/dbraw/zinc/80/04/13/987800413.db2.gz LOQYJJRYHNJYOR-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOC1 ZINC001246444521 987800615 /nfs/dbraw/zinc/80/06/15/987800615.db2.gz BZBJMJCYCXEMCM-AYLPWXGPSA-N 1 3 210.321 1.038 20 0 BDADHO CCCC[C@@H](CO)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246458796 987809926 /nfs/dbraw/zinc/80/99/26/987809926.db2.gz VZBPKWIJDXLMLG-TUAOUCFPSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@@H](CO)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246458796 987809931 /nfs/dbraw/zinc/80/99/31/987809931.db2.gz VZBPKWIJDXLMLG-TUAOUCFPSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@@H](CO)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246458795 987810836 /nfs/dbraw/zinc/81/08/36/987810836.db2.gz VZBPKWIJDXLMLG-SRVKXCTJSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@@H](CO)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246458795 987810832 /nfs/dbraw/zinc/81/08/32/987810832.db2.gz VZBPKWIJDXLMLG-SRVKXCTJSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H](Cc1cccnc1)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246480049 987838621 /nfs/dbraw/zinc/83/86/21/987838621.db2.gz XQTPVRIIXLHAQQ-YUTCNCBUSA-N 1 3 233.359 1.872 20 0 BDADHO CN1CCC[C@H](N[C@H](C[NH3+])c2ccccc2)C1 ZINC001246507235 987861390 /nfs/dbraw/zinc/86/13/90/987861390.db2.gz LZAHDRAZHQJYMZ-UONOGXRCSA-N 1 3 233.359 1.370 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246531357 987887725 /nfs/dbraw/zinc/88/77/25/987887725.db2.gz PWMOYYZMTSBCRJ-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO CC[C@H]1CC(N2C[C@H](N)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246534761 987893300 /nfs/dbraw/zinc/89/33/00/987893300.db2.gz SYSWMJVBUCOKQH-UKJIMTQDSA-N 1 3 243.370 1.277 20 0 BDADHO N[C@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539734 987904135 /nfs/dbraw/zinc/90/41/35/987904135.db2.gz IPRXYKVSQMPMDU-WODVXLOZSA-N 1 3 222.332 1.286 20 0 BDADHO N[C@H]1CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001246539734 987904141 /nfs/dbraw/zinc/90/41/41/987904141.db2.gz IPRXYKVSQMPMDU-WODVXLOZSA-N 1 3 222.332 1.286 20 0 BDADHO C[C@H]1C[N@@H+](C2CCC3(COC3)CC2)C[C@H]1CN ZINC001246542449 987911133 /nfs/dbraw/zinc/91/11/33/987911133.db2.gz PIYUXYZDNJSKSV-NWDGAFQWSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H]1C[N@H+](C2CCC3(COC3)CC2)C[C@H]1CN ZINC001246542449 987911136 /nfs/dbraw/zinc/91/11/36/987911136.db2.gz PIYUXYZDNJSKSV-NWDGAFQWSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246558757 987982886 /nfs/dbraw/zinc/98/28/86/987982886.db2.gz NOLDZASYWKXFNV-GRYCIOLGSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](F)CC2)CCN1 ZINC001246558757 987982896 /nfs/dbraw/zinc/98/28/96/987982896.db2.gz NOLDZASYWKXFNV-GRYCIOLGSA-N 1 3 214.328 1.951 20 0 BDADHO Cc1csc(CCCN[C@@H]2CCC[C@H]2[NH3+])n1 ZINC001118058570 988001824 /nfs/dbraw/zinc/00/18/24/988001824.db2.gz LBHOLPKSIKQIRM-GHMZBOCLSA-N 1 3 239.388 1.854 20 0 BDADHO [NH3+]C[C@@]1(F)CCCCN(C2CCOCC2)C1 ZINC001246575830 988086341 /nfs/dbraw/zinc/08/63/41/988086341.db2.gz JCQFKIUJZDIQHG-LBPRGKRZSA-N 1 3 230.327 1.318 20 0 BDADHO CCN1CCC([N@@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001246578737 988105210 /nfs/dbraw/zinc/10/52/10/988105210.db2.gz BUYVQBCQBNHQGS-STQMWFEESA-N 1 3 243.370 1.232 20 0 BDADHO CCN1CCC([N@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001246578737 988105225 /nfs/dbraw/zinc/10/52/25/988105225.db2.gz BUYVQBCQBNHQGS-STQMWFEESA-N 1 3 243.370 1.232 20 0 BDADHO CCCC[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584028 988122972 /nfs/dbraw/zinc/12/29/72/988122972.db2.gz KYKMXSYOMKJKMV-SDDRHHMPSA-N 1 3 214.353 1.207 20 0 BDADHO CCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246584028 988122978 /nfs/dbraw/zinc/12/29/78/988122978.db2.gz KYKMXSYOMKJKMV-SDDRHHMPSA-N 1 3 214.353 1.207 20 0 BDADHO CN1CCC[C@@H]([N@@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246585651 988132104 /nfs/dbraw/zinc/13/21/04/988132104.db2.gz PNNPOVRMZBZDOJ-KGLIPLIRSA-N 1 3 239.407 1.532 20 0 BDADHO CN1CCC[C@@H]([N@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246585651 988132116 /nfs/dbraw/zinc/13/21/16/988132116.db2.gz PNNPOVRMZBZDOJ-KGLIPLIRSA-N 1 3 239.407 1.532 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246589101 988152659 /nfs/dbraw/zinc/15/26/59/988152659.db2.gz YZYVOICBZIUTPA-OBPIAQAESA-N 1 3 226.364 1.063 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H](C)C1 ZINC001246589101 988152670 /nfs/dbraw/zinc/15/26/70/988152670.db2.gz YZYVOICBZIUTPA-OBPIAQAESA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]1(C)O ZINC001246590526 988167629 /nfs/dbraw/zinc/16/76/29/988167629.db2.gz KDZALIZDBDKMON-SYCZCVCYSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599969 988208212 /nfs/dbraw/zinc/20/82/12/988208212.db2.gz QLEVCFUPSOLQEO-FDYHWXHSSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599969 988208227 /nfs/dbraw/zinc/20/82/27/988208227.db2.gz QLEVCFUPSOLQEO-FDYHWXHSSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616250 988256692 /nfs/dbraw/zinc/25/66/92/988256692.db2.gz AKEKWACCMHHPTQ-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)CCN1 ZINC001246616250 988256726 /nfs/dbraw/zinc/25/67/26/988256726.db2.gz AKEKWACCMHHPTQ-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCCO3)CCN1 ZINC001246616250 988256740 /nfs/dbraw/zinc/25/67/40/988256740.db2.gz AKEKWACCMHHPTQ-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679281 988424493 /nfs/dbraw/zinc/42/44/93/988424493.db2.gz TUGMSVWKWBOUSN-WISYIIOYSA-N 1 3 222.332 1.323 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679281 988424496 /nfs/dbraw/zinc/42/44/96/988424496.db2.gz TUGMSVWKWBOUSN-WISYIIOYSA-N 1 3 222.332 1.323 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768667 988456883 /nfs/dbraw/zinc/45/68/83/988456883.db2.gz GASNYFMBGSQHJV-CSYMLDBXSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768667 988456890 /nfs/dbraw/zinc/45/68/90/988456890.db2.gz GASNYFMBGSQHJV-CSYMLDBXSA-N 1 3 212.312 1.559 20 0 BDADHO c1ccc([C@H]2CN(C3CC[NH2+]CC3)CCN2)cc1 ZINC001246825945 988513882 /nfs/dbraw/zinc/51/38/82/988513882.db2.gz JSPBKIYGFKTRMA-OAHLLOKOSA-N 1 3 245.370 1.385 20 0 BDADHO C1CC12CCCCN2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246845224 988556614 /nfs/dbraw/zinc/55/66/14/988556614.db2.gz LQSRAUUZCVTGTP-LBPRGKRZSA-N 1 3 235.375 1.099 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]12 ZINC001246854542 988574829 /nfs/dbraw/zinc/57/48/29/988574829.db2.gz PZZRAWNOMBXRMQ-SYLRKERUSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CCN[C@H](C)C3)C[C@H]12 ZINC001246854542 988574838 /nfs/dbraw/zinc/57/48/38/988574838.db2.gz PZZRAWNOMBXRMQ-SYLRKERUSA-N 1 3 224.348 1.094 20 0 BDADHO CN[C@@H]1CCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246901408 988674679 /nfs/dbraw/zinc/67/46/79/988674679.db2.gz XCDZINGIEHKADL-ZDUSSCGKSA-N 1 3 237.391 1.550 20 0 BDADHO CC(C)N1CCN([C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1C ZINC001246977584 988810396 /nfs/dbraw/zinc/81/03/96/988810396.db2.gz DYMPVEDJQFRBAZ-IHRRRGAJSA-N 1 3 239.407 1.541 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980771 988812743 /nfs/dbraw/zinc/81/27/43/988812743.db2.gz SMYFBYCJTRUOMJ-MELADBBJSA-N 1 3 239.407 1.541 20 0 BDADHO CC[C@@H]1C[C@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246995811 988829897 /nfs/dbraw/zinc/82/98/97/988829897.db2.gz MXPLEOSUALTOKL-NFAWXSAZSA-N 1 3 249.402 1.859 20 0 BDADHO CCN1CCN([C@H]2CC[C@H](C)[NH2+]C2)C[C@H]1C ZINC001247002729 988838137 /nfs/dbraw/zinc/83/81/37/988838137.db2.gz TYGWWTROAYGBCB-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO C[NH+](C)Cc1ccc2[nH]c(CN)nc2c1 ZINC001247021579 988846026 /nfs/dbraw/zinc/84/60/26/988846026.db2.gz SMIDYLYDHRKXHU-UHFFFAOYSA-N 1 3 204.277 1.083 20 0 BDADHO c1cc(CN2CCCC3(CC[NH2+]CC3)C2)on1 ZINC001326278077 989460297 /nfs/dbraw/zinc/46/02/97/989460297.db2.gz RXZFDBSLLNSCCZ-UHFFFAOYSA-N 1 3 235.331 1.640 20 0 BDADHO C1C[NH2+][C@H](c2noc([C@@H]3CCCCCN3)n2)C1 ZINC001326978134 989792252 /nfs/dbraw/zinc/79/22/52/989792252.db2.gz NQQQASAOFPIHJY-UWVGGRQHSA-N 1 3 236.319 1.699 20 0 BDADHO c1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccn1 ZINC001120784778 989880619 /nfs/dbraw/zinc/88/06/19/989880619.db2.gz UWRLELQKNJZERN-ZIAGYGMSSA-N 1 3 231.343 1.932 20 0 BDADHO c1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccn1 ZINC001120784778 989880621 /nfs/dbraw/zinc/88/06/21/989880621.db2.gz UWRLELQKNJZERN-ZIAGYGMSSA-N 1 3 231.343 1.932 20 0 BDADHO CCOC(=O)CCC[C@H](C)[NH2+]C1CC(N)C1 ZINC001258106685 991017925 /nfs/dbraw/zinc/01/79/25/991017925.db2.gz BPRFIWYRFRFMGD-WHXUTIOJSA-N 1 3 228.336 1.188 20 0 BDADHO C[C@]1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCCCO1 ZINC001308611989 991059827 /nfs/dbraw/zinc/05/98/27/991059827.db2.gz UEOSHFNQVXJUOV-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H](Cc1cccnc1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001258630264 991568918 /nfs/dbraw/zinc/56/89/18/991568918.db2.gz QEWDFCUCHUOPLW-AEGPPILISA-N 1 3 245.370 1.506 20 0 BDADHO C[C@@H](Cc1cccnc1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001258630264 991568934 /nfs/dbraw/zinc/56/89/34/991568934.db2.gz QEWDFCUCHUOPLW-AEGPPILISA-N 1 3 245.370 1.506 20 0 BDADHO C[C@H](Cc1cccc(Cl)c1)NC[C@@H](O)C[NH3+] ZINC001258739360 991688808 /nfs/dbraw/zinc/68/88/08/991688808.db2.gz XLJLRNSEXHGIAZ-SKDRFNHKSA-N 1 3 242.750 1.180 20 0 BDADHO CCC[NH+]1CCC(N2CCOC[C@H](C)C2)CC1 ZINC001258771691 991735989 /nfs/dbraw/zinc/73/59/89/991735989.db2.gz OZUNKHWPDFTHTB-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](O)C[C@H]2C)CC1 ZINC001258775405 991736544 /nfs/dbraw/zinc/73/65/44/991736544.db2.gz NPXLECKOQLGCBO-TZMCWYRMSA-N 1 3 240.391 1.706 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)N[C@H]1COC[C@@H]1F ZINC001258907211 991896462 /nfs/dbraw/zinc/89/64/62/991896462.db2.gz OQZHGXVFUHNROP-AVGNSLFASA-N 1 3 246.370 1.823 20 0 BDADHO CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001567593807 992067317 /nfs/dbraw/zinc/06/73/17/992067317.db2.gz RXURGROCHZUYQY-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]C(C)C)N(C)C ZINC001320606428 992268095 /nfs/dbraw/zinc/26/80/95/992268095.db2.gz GLHANLGRHPSRFP-RYUDHWBXSA-N 1 3 243.395 1.219 20 0 BDADHO CCC[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC001569270342 992352982 /nfs/dbraw/zinc/35/29/82/992352982.db2.gz RQLRPHZQCCCVCK-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCOC1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001474756856 992515457 /nfs/dbraw/zinc/51/54/57/992515457.db2.gz MYCSBRKICAPAEC-MGBPRESASA-N 1 3 238.375 1.484 20 0 BDADHO COCC[N@H+](CC1(C)CC1)C1CCNCC1 ZINC001573985326 992787241 /nfs/dbraw/zinc/78/72/41/992787241.db2.gz BDYFTGGHVBOZAQ-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO COCC[N@@H+](CC1(C)CC1)C1CCNCC1 ZINC001573985326 992787249 /nfs/dbraw/zinc/78/72/49/992787249.db2.gz BDYFTGGHVBOZAQ-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO COCCN(CC1(C)CC1)C1CC[NH2+]CC1 ZINC001573985326 992787260 /nfs/dbraw/zinc/78/72/60/992787260.db2.gz BDYFTGGHVBOZAQ-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO COc1ccc(C[NH2+]CCN)c(C)c1OC ZINC001574034971 992800911 /nfs/dbraw/zinc/80/09/11/992800911.db2.gz GWBBXWDKKQDADP-UHFFFAOYSA-N 1 3 224.304 1.061 20 0 BDADHO C1CC2(C1)CCC(N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC001574794070 992907882 /nfs/dbraw/zinc/90/78/82/992907882.db2.gz AENYLSYIDGEFBG-ITGUQSILSA-N 1 3 220.360 1.907 20 0 BDADHO CC(C)(O)C[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001575379801 993029704 /nfs/dbraw/zinc/02/97/04/993029704.db2.gz LRVJKGXWJAZUMB-AAEUAGOBSA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)(O)C[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001575379801 993029715 /nfs/dbraw/zinc/02/97/15/993029715.db2.gz LRVJKGXWJAZUMB-AAEUAGOBSA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)[C@H](CN)C[NH2+]C[C@@H](CO)CC1CC1 ZINC001575422273 993040705 /nfs/dbraw/zinc/04/07/05/993040705.db2.gz GZLKZWSRQWWCCX-QWHCGFSZSA-N 1 3 228.380 1.216 20 0 BDADHO CC(C)C[C@H](CO)NC[C@H]([NH3+])CC(F)(F)F ZINC001575640303 993089814 /nfs/dbraw/zinc/08/98/14/993089814.db2.gz PMYIAYGUVHTUBZ-RKDXNWHRSA-N 1 3 242.285 1.263 20 0 BDADHO C[C@@H](CCc1ccccc1)NC[C@@]1(O)CC[NH2+]C1 ZINC001575966478 993143516 /nfs/dbraw/zinc/14/35/16/993143516.db2.gz ORUCWAGHOBLKCF-DZGCQCFKSA-N 1 3 248.370 1.322 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc2nsnc21 ZINC001575989110 993150646 /nfs/dbraw/zinc/15/06/46/993150646.db2.gz QXCZRQOSKZUVRS-MRVPVSSYSA-N 1 3 236.344 1.376 20 0 BDADHO C[C@H](N)C[N@@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001576157658 993198182 /nfs/dbraw/zinc/19/81/82/993198182.db2.gz UEOGTCFNEUEONF-GXTWGEPZSA-N 1 3 234.343 1.317 20 0 BDADHO C[C@H](N)C[N@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001576157658 993198187 /nfs/dbraw/zinc/19/81/87/993198187.db2.gz UEOGTCFNEUEONF-GXTWGEPZSA-N 1 3 234.343 1.317 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@H]1COC(C)(C)O1 ZINC001576244248 993230417 /nfs/dbraw/zinc/23/04/17/993230417.db2.gz JJMXDJIJOSYIRG-GHMZBOCLSA-N 1 3 242.363 1.388 20 0 BDADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1C1CC1 ZINC001576249809 993233806 /nfs/dbraw/zinc/23/38/06/993233806.db2.gz AKTPUYCMWUGFLY-ZNNZHFKNSA-N 1 3 206.333 1.228 20 0 BDADHO Cc1cc(NCC2CN(C)C2)cc(C)[nH+]1 ZINC000379472214 993247381 /nfs/dbraw/zinc/24/73/81/993247381.db2.gz JOGSWYBIKYHLNX-UHFFFAOYSA-N 1 3 205.305 1.094 20 0 BDADHO CC1(C)CC[C@@H](CNCC[C@@H]2CCOC2)[NH2+]C1 ZINC001576421954 993299622 /nfs/dbraw/zinc/29/96/22/993299622.db2.gz SNLLOHOYILQDMN-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)CCC[C@]1(O)C[NH2+]CC12CC(C1)CN2 ZINC001576426092 993302998 /nfs/dbraw/zinc/30/29/98/993302998.db2.gz AOEXUQNCEXVAHQ-UBHUBRDASA-N 1 3 238.375 1.269 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN1CCCCC[C@@H]1C ZINC000380129409 993313398 /nfs/dbraw/zinc/31/33/98/993313398.db2.gz DFZGUWPIEOZVNL-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO NC[C@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000380668633 993341265 /nfs/dbraw/zinc/34/12/65/993341265.db2.gz AIOBYBBOUGREIK-OLZOCXBDSA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000380668633 993341271 /nfs/dbraw/zinc/34/12/71/993341271.db2.gz AIOBYBBOUGREIK-OLZOCXBDSA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000380668631 993342723 /nfs/dbraw/zinc/34/27/23/993342723.db2.gz AIOBYBBOUGREIK-CHWSQXEVSA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000380668631 993342727 /nfs/dbraw/zinc/34/27/27/993342727.db2.gz AIOBYBBOUGREIK-CHWSQXEVSA-N 1 3 226.364 1.474 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]3CCC[C@H]23)C[NH2+]1 ZINC001576667633 993377671 /nfs/dbraw/zinc/37/76/71/993377671.db2.gz VHRAZXCGHQDILE-QNWJLWSRSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@H](CO)[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001577090098 993497631 /nfs/dbraw/zinc/49/76/31/993497631.db2.gz PKQVVAFVISCWLI-UPJWGTAASA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](CO)[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001577090098 993497637 /nfs/dbraw/zinc/49/76/37/993497637.db2.gz PKQVVAFVISCWLI-UPJWGTAASA-N 1 3 226.364 1.208 20 0 BDADHO Cc1ccncc1CN1CCCC[C@H](C[NH3+])C1 ZINC000383665676 993513815 /nfs/dbraw/zinc/51/38/15/993513815.db2.gz MWTZNRSIVGMPOE-CYBMUJFWSA-N 1 3 233.359 1.951 20 0 BDADHO CCC1(C[NH2+][C@H]2C[C@@H](N)C2)CCOCC1 ZINC001577220806 993544621 /nfs/dbraw/zinc/54/46/21/993544621.db2.gz NNZCGGZKNDVJQL-PHIMTYICSA-N 1 3 212.337 1.273 20 0 BDADHO CCC1(O)CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001577234192 993549756 /nfs/dbraw/zinc/54/97/56/993549756.db2.gz WRPSJHFSRSJICK-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO CCO[C@@H]1CCN([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000701663924 993899658 /nfs/dbraw/zinc/89/96/58/993899658.db2.gz TZTHLPHQCPNWLT-SDDRHHMPSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC000701663924 993899660 /nfs/dbraw/zinc/89/96/60/993899660.db2.gz TZTHLPHQCPNWLT-SDDRHHMPSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC000701663924 993899668 /nfs/dbraw/zinc/89/96/68/993899668.db2.gz TZTHLPHQCPNWLT-SDDRHHMPSA-N 1 3 212.337 1.238 20 0 BDADHO CC(C)(CO)CCCN[C@H]1CCC[NH2+]C1 ZINC000393379027 993941564 /nfs/dbraw/zinc/94/15/64/993941564.db2.gz OMVIVMCFHKTCDU-NSHDSACASA-N 1 3 214.353 1.127 20 0 BDADHO C[C@H](CN)C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000702217694 993972977 /nfs/dbraw/zinc/97/29/77/993972977.db2.gz XBJVYZZQRKFBSC-OPRDCNLKSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@@H]1CC([NH2+]C2CCNCC2)C[C@@H](C)O1 ZINC000702212735 993974951 /nfs/dbraw/zinc/97/49/51/993974951.db2.gz BVGRKFKRKXYSLB-NXEZZACHSA-N 1 3 212.337 1.284 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)[C@@H]1CCOC1 ZINC000161711759 349489815 /nfs/dbraw/zinc/48/98/15/349489815.db2.gz GPYLKKFCILDCJS-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)[C@@H]1CCOC1 ZINC000161711759 349489817 /nfs/dbraw/zinc/48/98/17/349489817.db2.gz GPYLKKFCILDCJS-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO C[NH+](C)CCOC1CCN(CC2(F)CC2)CC1 ZINC000527510465 398169975 /nfs/dbraw/zinc/16/99/75/398169975.db2.gz VAKUYHQNWWNTOU-UHFFFAOYSA-N 1 3 244.354 1.531 20 0 BDADHO C[C@H](N[C@H](CO)CC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000423023700 398162987 /nfs/dbraw/zinc/16/29/87/398162987.db2.gz KELJSRRPHJMFFE-YUTCNCBUSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H](NCCC[NH3+])c1ccc2c(c1)COC2 ZINC000423174363 398164080 /nfs/dbraw/zinc/16/40/80/398164080.db2.gz ANTRYLXCCHOUQH-SNVBAGLBSA-N 1 3 220.316 1.716 20 0 BDADHO COCC1CCC([NH2+][C@H](C)[C@@H]2CCCN2)CC1 ZINC000423174719 398164176 /nfs/dbraw/zinc/16/41/76/398164176.db2.gz COGSEAOSONJHTO-RYSNWHEDSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1nccnc1[C@@H](C)NCC1CC[NH+](C)CC1 ZINC000187964933 398195426 /nfs/dbraw/zinc/19/54/26/398195426.db2.gz GUMKTYDRWHJTQP-GFCCVEGCSA-N 1 3 248.374 1.777 20 0 BDADHO C[C@@H]1CC[N@H+](CCc2cn[nH]c2)[C@H](CN)C1 ZINC000380997978 398216203 /nfs/dbraw/zinc/21/62/03/398216203.db2.gz NEVKKTYMUUHTPS-PWSUYJOCSA-N 1 3 222.336 1.011 20 0 BDADHO C[C@@H]1CC[N@@H+](CCc2cn[nH]c2)[C@H](CN)C1 ZINC000380997978 398216205 /nfs/dbraw/zinc/21/62/05/398216205.db2.gz NEVKKTYMUUHTPS-PWSUYJOCSA-N 1 3 222.336 1.011 20 0 BDADHO Cc1cc(C)n(CCN2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000386750722 398219242 /nfs/dbraw/zinc/21/92/42/398219242.db2.gz GLZVNXHCCAOQHT-OLZOCXBDSA-N 1 3 236.363 1.169 20 0 BDADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413593 398212194 /nfs/dbraw/zinc/21/21/94/398212194.db2.gz OCZCTJHDWIFVFO-LLVKDONJSA-N 1 3 222.336 1.231 20 0 BDADHO COc1cccc(CCCN2CC[C@H](C[NH3+])C2)c1 ZINC000430964315 192028404 /nfs/dbraw/zinc/02/84/04/192028404.db2.gz YSCRIXLMDQEEDE-CQSZACIVSA-N 1 3 248.370 1.908 20 0 BDADHO COc1cccc(CCC[N@@H+]2CC[C@H](CN)C2)c1 ZINC000430964315 192028405 /nfs/dbraw/zinc/02/84/05/192028405.db2.gz YSCRIXLMDQEEDE-CQSZACIVSA-N 1 3 248.370 1.908 20 0 BDADHO COc1cccc(CCC[N@H+]2CC[C@H](CN)C2)c1 ZINC000430964315 192028407 /nfs/dbraw/zinc/02/84/07/192028407.db2.gz YSCRIXLMDQEEDE-CQSZACIVSA-N 1 3 248.370 1.908 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000229542224 538939535 /nfs/dbraw/zinc/93/95/35/538939535.db2.gz LUWLMFFPWHXYGN-CHWSQXEVSA-N 1 3 225.380 1.153 20 0 BDADHO CCOC[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000166565443 361853878 /nfs/dbraw/zinc/85/38/78/361853878.db2.gz DYGUCPCWRHIMJA-GFCCVEGCSA-N 1 3 216.369 1.731 20 0 BDADHO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@H]1CCCNC1 ZINC000583988666 342830022 /nfs/dbraw/zinc/83/00/22/342830022.db2.gz PCBHIYZCNCPQCB-RWMBFGLXSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@H]1C[N@H+](CCCNC2CSC2)CCCO1 ZINC000390510313 539022716 /nfs/dbraw/zinc/02/27/16/539022716.db2.gz ZGJSDVJDXIYARW-NSHDSACASA-N 1 3 244.404 1.192 20 0 BDADHO C[C@H]1C[N@@H+](CCCNC2CSC2)CCCO1 ZINC000390510313 539022717 /nfs/dbraw/zinc/02/27/17/539022717.db2.gz ZGJSDVJDXIYARW-NSHDSACASA-N 1 3 244.404 1.192 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184295 539028175 /nfs/dbraw/zinc/02/81/75/539028175.db2.gz BTGSMQQEXPPXEV-ZIAGYGMSSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@@H]1CCCCN1CCC[NH2+]C1CSC1 ZINC000389744698 539017063 /nfs/dbraw/zinc/01/70/63/539017063.db2.gz XAZRNZDEZWWANU-LLVKDONJSA-N 1 3 228.405 1.956 20 0 BDADHO CC1(C)CC(CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000625100563 342856193 /nfs/dbraw/zinc/85/61/93/342856193.db2.gz UEVCGKKOEAYMLD-VXGBXAGGSA-N 1 3 208.349 1.574 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@@H](OCC)C1(C)C ZINC000233510752 342909947 /nfs/dbraw/zinc/90/99/47/342909947.db2.gz GOCJIGTUJLKIGF-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO CCC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394341304 398336662 /nfs/dbraw/zinc/33/66/62/398336662.db2.gz XWFJNTRXAGGCNS-PIGZVRMJSA-N 1 3 240.391 1.704 20 0 BDADHO CCC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394341304 398336663 /nfs/dbraw/zinc/33/66/63/398336663.db2.gz XWFJNTRXAGGCNS-PIGZVRMJSA-N 1 3 240.391 1.704 20 0 BDADHO CCCCCN1CCCO[C@@H](C[NH3+])C1 ZINC000313357860 259333606 /nfs/dbraw/zinc/33/36/06/259333606.db2.gz UIAXMBSBHMBPRN-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CO1 ZINC000402110735 349793074 /nfs/dbraw/zinc/79/30/74/349793074.db2.gz DCAZJHAMCIZGPJ-RHYQMDGZSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CO1 ZINC000402110735 349793077 /nfs/dbraw/zinc/79/30/77/349793077.db2.gz DCAZJHAMCIZGPJ-RHYQMDGZSA-N 1 3 212.337 1.271 20 0 BDADHO CCCCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000386545900 343072105 /nfs/dbraw/zinc/07/21/05/343072105.db2.gz FSOHFVCQFWIZAK-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO C(CNC1CC1)C[NH2+]C(C1CC1)C1CC1 ZINC000049237972 343097062 /nfs/dbraw/zinc/09/70/62/343097062.db2.gz RTINNESFBVKIIX-UHFFFAOYSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](C(=O)NCCCC[NH3+])[C@@H](N)c1ccccc1 ZINC000131715374 343184575 /nfs/dbraw/zinc/18/45/75/343184575.db2.gz WMJUDLLDUDTSIH-WCQYABFASA-N 1 3 249.358 1.178 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284588 /nfs/dbraw/zinc/28/45/88/136284588.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284589 /nfs/dbraw/zinc/28/45/89/136284589.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284590 /nfs/dbraw/zinc/28/45/90/136284590.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CC(C)(C)O)CC[C@H]21 ZINC000088091298 136284591 /nfs/dbraw/zinc/28/45/91/136284591.db2.gz GGQHODPQEGBCAE-VXGBXAGGSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@@H](C[NH3+])[C@H](C)C2)O1 ZINC000634688395 343246036 /nfs/dbraw/zinc/24/60/36/343246036.db2.gz RAUAFXILIJPDJH-DDHJBXDOSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](CN)[C@H](C)C2)O1 ZINC000634688395 343246038 /nfs/dbraw/zinc/24/60/38/343246038.db2.gz RAUAFXILIJPDJH-DDHJBXDOSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](CN)[C@H](C)C2)O1 ZINC000634688395 343246039 /nfs/dbraw/zinc/24/60/39/343246039.db2.gz RAUAFXILIJPDJH-DDHJBXDOSA-N 1 3 212.337 1.081 20 0 BDADHO CC[C@H](COC)[NH2+]CCCN1CCCC1 ZINC000070623738 343335939 /nfs/dbraw/zinc/33/59/39/343335939.db2.gz NIFIIQYGBCCLKW-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CC[C@H](COC)NCCC[NH+]1CCCC1 ZINC000070623738 343335941 /nfs/dbraw/zinc/33/59/41/343335941.db2.gz NIFIIQYGBCCLKW-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO C[C@H](N)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217750 136309947 /nfs/dbraw/zinc/30/99/47/136309947.db2.gz BVLRQCZWGMHSIS-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](N)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217750 136309948 /nfs/dbraw/zinc/30/99/48/136309948.db2.gz BVLRQCZWGMHSIS-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCOCC12CCC2 ZINC000335689317 136324364 /nfs/dbraw/zinc/32/43/64/136324364.db2.gz SUURMIJCNHSUSW-UHFFFAOYSA-N 1 3 224.348 1.241 20 0 BDADHO C[NH+](C)C1CCN(C[C@H]2CCCOC2)CC1 ZINC000335691337 136325427 /nfs/dbraw/zinc/32/54/27/136325427.db2.gz CRWXSCOTYYOBEN-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO COCCC[N@@H+]1CCCC[C@H]1CCN ZINC000082601494 343454405 /nfs/dbraw/zinc/45/44/05/343454405.db2.gz YTYARQKSETUOKI-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO COCCC[N@H+]1CCCC[C@H]1CCN ZINC000082601494 343454407 /nfs/dbraw/zinc/45/44/07/343454407.db2.gz YTYARQKSETUOKI-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO COCCCN1CCCC[C@H]1CC[NH3+] ZINC000082601494 343454409 /nfs/dbraw/zinc/45/44/09/343454409.db2.gz YTYARQKSETUOKI-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]C2CSC2)C1 ZINC000390001023 537787537 /nfs/dbraw/zinc/78/75/37/537787537.db2.gz SVBBJVJHHZIFEZ-NSHDSACASA-N 1 3 228.405 1.812 20 0 BDADHO CCC[C@@H](N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232317 362287886 /nfs/dbraw/zinc/28/78/86/362287886.db2.gz BTOWLNXTOTXKQX-LLVKDONJSA-N 1 3 237.351 1.078 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252714954 534958833 /nfs/dbraw/zinc/95/88/33/534958833.db2.gz UEARPKZPHJVKFD-RWMBFGLXSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H](C)OC)C1 ZINC000252714954 534958835 /nfs/dbraw/zinc/95/88/35/534958835.db2.gz UEARPKZPHJVKFD-RWMBFGLXSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H](C)OC)C1 ZINC000252714954 534958842 /nfs/dbraw/zinc/95/88/42/534958842.db2.gz UEARPKZPHJVKFD-RWMBFGLXSA-N 1 3 228.380 1.731 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000634733674 344113751 /nfs/dbraw/zinc/11/37/51/344113751.db2.gz KXYPYDSYXXIGAO-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130248866 344219830 /nfs/dbraw/zinc/21/98/30/344219830.db2.gz PRJKEOUJVZLPTB-SDDRHHMPSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130248866 344219832 /nfs/dbraw/zinc/21/98/32/344219832.db2.gz PRJKEOUJVZLPTB-SDDRHHMPSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000306572185 344278568 /nfs/dbraw/zinc/27/85/68/344278568.db2.gz HOKXRASAFOIQSB-DBIOUOCHSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000306572185 344278569 /nfs/dbraw/zinc/27/85/69/344278569.db2.gz HOKXRASAFOIQSB-DBIOUOCHSA-N 1 3 214.378 1.597 20 0 BDADHO CCC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999117 344484959 /nfs/dbraw/zinc/48/49/59/344484959.db2.gz FVKSRTGKUPTNGI-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO C[NH2+]CCCN1CCC[C@H]1CSC ZINC000399985259 344747081 /nfs/dbraw/zinc/74/70/81/344747081.db2.gz BJJQRHCRPFSSMG-JTQLQIEISA-N 1 3 202.367 1.423 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H]1CSC ZINC000399985259 344747084 /nfs/dbraw/zinc/74/70/84/344747084.db2.gz BJJQRHCRPFSSMG-JTQLQIEISA-N 1 3 202.367 1.423 20 0 BDADHO CNCCC[N@H+]1CCC[C@H]1CSC ZINC000399985259 344747086 /nfs/dbraw/zinc/74/70/86/344747086.db2.gz BJJQRHCRPFSSMG-JTQLQIEISA-N 1 3 202.367 1.423 20 0 BDADHO C[C@@]1(CNC(N)=[NH2+])CCCN1Cc1ccccc1 ZINC000153556025 344902545 /nfs/dbraw/zinc/90/25/45/344902545.db2.gz WRLWIUSNGBUKGI-AWEZNQCLSA-N 1 3 246.358 1.524 20 0 BDADHO COCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386604856 344941273 /nfs/dbraw/zinc/94/12/73/344941273.db2.gz VOYMHULCXJDBPU-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO Cc1cccc(CC[NH2+]CC23CC(C2)CN3)c1 ZINC000634995449 345184934 /nfs/dbraw/zinc/18/49/34/345184934.db2.gz FFSORFQODOJVDZ-UHFFFAOYSA-N 1 3 230.355 1.879 20 0 BDADHO CC[C@H](CCO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156155174 345133955 /nfs/dbraw/zinc/13/39/55/345133955.db2.gz ZCPWBDBCAZWYII-HZSPNIEDSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156155174 345133957 /nfs/dbraw/zinc/13/39/57/345133957.db2.gz ZCPWBDBCAZWYII-HZSPNIEDSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000156155174 345133958 /nfs/dbraw/zinc/13/39/58/345133958.db2.gz ZCPWBDBCAZWYII-HZSPNIEDSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000156204108 345136309 /nfs/dbraw/zinc/13/63/09/345136309.db2.gz RBNTUYMZLJMOLR-DGCLKSJQSA-N 1 3 236.363 1.264 20 0 BDADHO CC(C)[C@H](C[NH3+])CN[C@H]1CNc2ccccc2C1 ZINC000634996320 345187690 /nfs/dbraw/zinc/18/76/90/345187690.db2.gz GPIZFRNKBWPMRM-ZIAGYGMSSA-N 1 3 247.386 1.844 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@H]1CNc2ccccc2C1 ZINC000634996320 345187692 /nfs/dbraw/zinc/18/76/92/345187692.db2.gz GPIZFRNKBWPMRM-ZIAGYGMSSA-N 1 3 247.386 1.844 20 0 BDADHO FC1CCC(C[NH2+]CC23CC(C2)CN3)CC1 ZINC000634996508 345188095 /nfs/dbraw/zinc/18/80/95/345188095.db2.gz LWZJZCAANHTMHX-UHFFFAOYSA-N 1 3 226.339 1.856 20 0 BDADHO FC1CCC(CNCC23CC(C2)C[NH2+]3)CC1 ZINC000634996508 345188097 /nfs/dbraw/zinc/18/80/97/345188097.db2.gz LWZJZCAANHTMHX-UHFFFAOYSA-N 1 3 226.339 1.856 20 0 BDADHO COc1ccc(C[NH2+][C@H](C)CCN(C)C)cn1 ZINC000157152017 345246992 /nfs/dbraw/zinc/24/69/92/345246992.db2.gz HTXFLXZLKOLJKG-LLVKDONJSA-N 1 3 237.347 1.520 20 0 BDADHO C[C@@H](C[NH2+]CC12CC(C1)CN2)c1ccncc1 ZINC000634997558 345196199 /nfs/dbraw/zinc/19/61/99/345196199.db2.gz NXCGCFTZUTYDCG-DCBWTQNWSA-N 1 3 231.343 1.527 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@]2(C)CC[NH2+]C2)[C@H](C)O1 ZINC000635001720 345202033 /nfs/dbraw/zinc/20/20/33/345202033.db2.gz ZBLWCPGKDKVUOH-RHYQMDGZSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1nccn1C ZINC000635006371 345210642 /nfs/dbraw/zinc/21/06/42/345210642.db2.gz MISOWYLQNAVVQT-IJLUTSLNSA-N 1 3 236.363 1.588 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CC3CC3)CC[C@@H]21 ZINC000158684759 345363699 /nfs/dbraw/zinc/36/36/99/345363699.db2.gz HPPXMLGVMLDJHV-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CC3CC3)CC[C@@H]21 ZINC000158684759 345363701 /nfs/dbraw/zinc/36/37/01/345363701.db2.gz HPPXMLGVMLDJHV-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC000158684759 345363704 /nfs/dbraw/zinc/36/37/04/345363704.db2.gz HPPXMLGVMLDJHV-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC000158684759 345363705 /nfs/dbraw/zinc/36/37/05/345363705.db2.gz HPPXMLGVMLDJHV-STQMWFEESA-N 1 3 208.349 1.813 20 0 BDADHO C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000088728189 345544592 /nfs/dbraw/zinc/54/45/92/345544592.db2.gz BVPZRXMSXOFEBP-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO CC[NH+]1CCC(CNCc2ccncc2N)CC1 ZINC000641716876 362628892 /nfs/dbraw/zinc/62/88/92/362628892.db2.gz SZASJSGXMCIWOD-UHFFFAOYSA-N 1 3 248.374 1.485 20 0 BDADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC1C[NH2+]C1 ZINC000307654539 345878227 /nfs/dbraw/zinc/87/82/27/345878227.db2.gz MRZMLAYKNHIFNP-SWLSCSKDSA-N 1 3 245.370 1.068 20 0 BDADHO C[C@H](c1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453382 345964970 /nfs/dbraw/zinc/96/49/70/345964970.db2.gz IKADZZUFCZJQOE-XBFCOCLRSA-N 1 3 216.328 1.899 20 0 BDADHO Cc1cccc(C)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000096811120 179036143 /nfs/dbraw/zinc/03/61/43/179036143.db2.gz MDOCYSXRSQJNGP-OKILXGFUSA-N 1 3 230.355 1.955 20 0 BDADHO CC(C)OC(=O)CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000603432991 349953887 /nfs/dbraw/zinc/95/38/87/349953887.db2.gz LTUMDQMXBCAICY-NXEZZACHSA-N 1 3 228.336 1.044 20 0 BDADHO CC(C)OC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000603432991 349953888 /nfs/dbraw/zinc/95/38/88/349953888.db2.gz LTUMDQMXBCAICY-NXEZZACHSA-N 1 3 228.336 1.044 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)NCC(C)(C)C ZINC000641770994 362708976 /nfs/dbraw/zinc/70/89/76/362708976.db2.gz BCQXQEOZFLTTCX-GFCCVEGCSA-N 1 3 230.396 1.715 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC000419202145 192102782 /nfs/dbraw/zinc/10/27/82/192102782.db2.gz GFGHVAMDIGXIKM-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC000419202145 192102784 /nfs/dbraw/zinc/10/27/84/192102784.db2.gz GFGHVAMDIGXIKM-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO Cc1noc(CCCN[C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800240 362749745 /nfs/dbraw/zinc/74/97/45/362749745.db2.gz AEUAEVUVXUXKEB-NXEZZACHSA-N 1 3 238.335 1.026 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)C1CNC1 ZINC000580075686 346513526 /nfs/dbraw/zinc/51/35/26/346513526.db2.gz QCQHKFJBBANRHZ-GDPRMGEGSA-N 1 3 200.301 1.465 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)C1CNC1 ZINC000580075689 346513562 /nfs/dbraw/zinc/51/35/62/346513562.db2.gz QCQHKFJBBANRHZ-LSJOCFKGSA-N 1 3 200.301 1.465 20 0 BDADHO Cc1cc(C)n(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641800805 362753197 /nfs/dbraw/zinc/75/31/97/362753197.db2.gz GFPMJTOBFQAHOM-VXGBXAGGSA-N 1 3 236.363 1.215 20 0 BDADHO Cc1cc(C)n(CC[NH2+][C@@H]2C[C@@H](N)C2(C)C)n1 ZINC000641800805 362753202 /nfs/dbraw/zinc/75/32/02/362753202.db2.gz GFPMJTOBFQAHOM-VXGBXAGGSA-N 1 3 236.363 1.215 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000300858939 346520990 /nfs/dbraw/zinc/52/09/90/346520990.db2.gz CERLAZDXUFFXDO-GHMZBOCLSA-N 1 3 216.394 1.989 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCc1ccncc1 ZINC000641802271 362758081 /nfs/dbraw/zinc/75/80/81/362758081.db2.gz IRAUQADCRUAQMP-STQMWFEESA-N 1 3 233.359 1.730 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000641802780 362759877 /nfs/dbraw/zinc/75/98/77/362759877.db2.gz OUGRQEDZDLZSBN-NEPJUHHUSA-N 1 3 219.332 1.484 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187399309 346573718 /nfs/dbraw/zinc/57/37/18/346573718.db2.gz KPRBEUSLXYOFIO-OLZOCXBDSA-N 1 3 228.380 1.543 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187399309 346573720 /nfs/dbraw/zinc/57/37/20/346573720.db2.gz KPRBEUSLXYOFIO-OLZOCXBDSA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)COC)C1 ZINC000187399309 346573721 /nfs/dbraw/zinc/57/37/21/346573721.db2.gz KPRBEUSLXYOFIO-OLZOCXBDSA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)COC)C1 ZINC000187399309 346573723 /nfs/dbraw/zinc/57/37/23/346573723.db2.gz KPRBEUSLXYOFIO-OLZOCXBDSA-N 1 3 228.380 1.543 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000381657753 346591728 /nfs/dbraw/zinc/59/17/28/346591728.db2.gz DBWYAQWWGZJMIG-IJLUTSLNSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)NCCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000158608369 346615508 /nfs/dbraw/zinc/61/55/08/346615508.db2.gz ZSPCZZUQFOZIQG-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000188067468 346730881 /nfs/dbraw/zinc/73/08/81/346730881.db2.gz OCZXDXDMYYNSIC-AGIUHOORSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000188067416 346730949 /nfs/dbraw/zinc/73/09/49/346730949.db2.gz OCZXDXDMYYNSIC-UPJWGTAASA-N 1 3 228.380 1.731 20 0 BDADHO CC1(CN2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000622004118 370652628 /nfs/dbraw/zinc/65/26/28/370652628.db2.gz KOBCUQOJUAOGIC-YPMHNXCESA-N 1 3 208.349 1.990 20 0 BDADHO COC[C@H](C)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622004612 370655479 /nfs/dbraw/zinc/65/54/79/370655479.db2.gz RERXJAPZHUGGHO-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1CCSC1)C2 ZINC000622004896 370655609 /nfs/dbraw/zinc/65/56/09/370655609.db2.gz WEEJOJWXRHUDEU-SRVKXCTJSA-N 1 3 226.389 1.553 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCCCC[C@H](N)C1 ZINC000641823553 362773105 /nfs/dbraw/zinc/77/31/05/362773105.db2.gz RPJPDGFANLKUKW-LBPRGKRZSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCCCC[C@H](N)C1 ZINC000641823553 362773111 /nfs/dbraw/zinc/77/31/11/362773111.db2.gz RPJPDGFANLKUKW-LBPRGKRZSA-N 1 3 236.363 1.166 20 0 BDADHO CCCCOCCN[C@](C)(C[NH3+])C1CC1 ZINC000309826753 347177528 /nfs/dbraw/zinc/17/75/28/347177528.db2.gz XMBHTQDCLRTWJK-GFCCVEGCSA-N 1 3 214.353 1.520 20 0 BDADHO Cc1nc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)oc1C ZINC000310856522 347312575 /nfs/dbraw/zinc/31/25/75/347312575.db2.gz NAYWPBDLHQMAEG-BETUJISGSA-N 1 3 249.358 1.723 20 0 BDADHO NC1(C[NH2+]Cc2ccccc2)CCOCC1 ZINC000149781973 347518380 /nfs/dbraw/zinc/51/83/80/347518380.db2.gz LSMNHTVFNORFIH-UHFFFAOYSA-N 1 3 220.316 1.284 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@H](C[NH3+])C[C@@H]2C)O1 ZINC000149795094 347521525 /nfs/dbraw/zinc/52/15/25/347521525.db2.gz HJFQXFQBAMJLED-WHOHXGKFSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](CN)C[C@@H]2C)O1 ZINC000149795094 347521527 /nfs/dbraw/zinc/52/15/27/347521527.db2.gz HJFQXFQBAMJLED-WHOHXGKFSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](CN)C[C@@H]2C)O1 ZINC000149795094 347521531 /nfs/dbraw/zinc/52/15/31/347521531.db2.gz HJFQXFQBAMJLED-WHOHXGKFSA-N 1 3 212.337 1.223 20 0 BDADHO C1=C(C[NH2+]C[C@@H]2CCN(C3CC3)C2)COCC1 ZINC000176828681 365908634 /nfs/dbraw/zinc/90/86/34/365908634.db2.gz NEQBUNGWYHEYRY-LBPRGKRZSA-N 1 3 236.359 1.407 20 0 BDADHO C1=C(CNC[C@@H]2CC[N@@H+](C3CC3)C2)COCC1 ZINC000176828681 365908641 /nfs/dbraw/zinc/90/86/41/365908641.db2.gz NEQBUNGWYHEYRY-LBPRGKRZSA-N 1 3 236.359 1.407 20 0 BDADHO C1=C(CNC[C@@H]2CC[N@H+](C3CC3)C2)COCC1 ZINC000176828681 365908645 /nfs/dbraw/zinc/90/86/45/365908645.db2.gz NEQBUNGWYHEYRY-LBPRGKRZSA-N 1 3 236.359 1.407 20 0 BDADHO CCCCN(C)C[C@@H](O)C[N@H+](C)CC ZINC000308454121 347668891 /nfs/dbraw/zinc/66/88/91/347668891.db2.gz AVFPVQYEKNXFBW-NSHDSACASA-N 1 3 202.342 1.031 20 0 BDADHO CCCCN(C)C[C@@H](O)C[N@@H+](C)CC ZINC000308454121 347668893 /nfs/dbraw/zinc/66/88/93/347668893.db2.gz AVFPVQYEKNXFBW-NSHDSACASA-N 1 3 202.342 1.031 20 0 BDADHO CSCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000591567785 347670779 /nfs/dbraw/zinc/67/07/79/347670779.db2.gz DHUFAXFAJHJDDJ-VHSXEESVSA-N 1 3 202.367 1.327 20 0 BDADHO CSCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000591567785 347670781 /nfs/dbraw/zinc/67/07/81/347670781.db2.gz DHUFAXFAJHJDDJ-VHSXEESVSA-N 1 3 202.367 1.327 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000577382992 365940158 /nfs/dbraw/zinc/94/01/58/365940158.db2.gz IMLYCSKVDLUQGK-CABCVRRESA-N 1 3 248.370 1.929 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)O1 ZINC000397477218 362888057 /nfs/dbraw/zinc/88/80/57/362888057.db2.gz IEYINBGWWCEONU-PDWCTOEPSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)O1 ZINC000397477218 362888062 /nfs/dbraw/zinc/88/80/62/362888062.db2.gz IEYINBGWWCEONU-PDWCTOEPSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)O1 ZINC000397477218 362888065 /nfs/dbraw/zinc/88/80/65/362888065.db2.gz IEYINBGWWCEONU-PDWCTOEPSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[N@@H+]([C@H]2CCSC2)C[C@@H]1N ZINC000251597860 362889146 /nfs/dbraw/zinc/88/91/46/362889146.db2.gz GBAPNXRLFNLRTC-UTLUCORTSA-N 1 3 200.351 1.161 20 0 BDADHO C[C@@H]1CC[N@H+]([C@H]2CCSC2)C[C@@H]1N ZINC000251597860 362889152 /nfs/dbraw/zinc/88/91/52/362889152.db2.gz GBAPNXRLFNLRTC-UTLUCORTSA-N 1 3 200.351 1.161 20 0 BDADHO CC(C)=CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000397742546 362903690 /nfs/dbraw/zinc/90/36/90/362903690.db2.gz ZOVPLZZRXOSBRQ-CYBMUJFWSA-N 1 3 226.364 1.389 20 0 BDADHO COC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488013 362911350 /nfs/dbraw/zinc/91/13/50/362911350.db2.gz DRSOOGCEJVNYBN-VXGBXAGGSA-N 1 3 244.379 1.110 20 0 BDADHO COC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488013 362911357 /nfs/dbraw/zinc/91/13/57/362911357.db2.gz DRSOOGCEJVNYBN-VXGBXAGGSA-N 1 3 244.379 1.110 20 0 BDADHO COC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623488011 362911506 /nfs/dbraw/zinc/91/15/06/362911506.db2.gz DRSOOGCEJVNYBN-NWDGAFQWSA-N 1 3 244.379 1.110 20 0 BDADHO COC[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623488011 362911512 /nfs/dbraw/zinc/91/15/12/362911512.db2.gz DRSOOGCEJVNYBN-NWDGAFQWSA-N 1 3 244.379 1.110 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623496854 362920595 /nfs/dbraw/zinc/92/05/95/362920595.db2.gz NJQVJLCYKATMGS-RYUDHWBXSA-N 1 3 228.380 1.874 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623496854 362920604 /nfs/dbraw/zinc/92/06/04/362920604.db2.gz NJQVJLCYKATMGS-RYUDHWBXSA-N 1 3 228.380 1.874 20 0 BDADHO COC(=O)C(C)(C)CCNCC[C@@H]([NH3+])C(C)C ZINC000596100699 348445666 /nfs/dbraw/zinc/44/56/66/348445666.db2.gz AKJLZGFMHVJTDO-LLVKDONJSA-N 1 3 244.379 1.539 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCCOC1)CN1CCCCC1 ZINC000070464856 490215649 /nfs/dbraw/zinc/21/56/49/490215649.db2.gz XCOFYJDWYKDMKI-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H](CN[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070464856 490215654 /nfs/dbraw/zinc/21/56/54/490215654.db2.gz XCOFYJDWYKDMKI-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1csc(CNCC2CC[NH+](C)CC2)n1 ZINC000054243375 179776856 /nfs/dbraw/zinc/77/68/56/179776856.db2.gz XENZYKCIFADPGI-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530218276 323217555 /nfs/dbraw/zinc/21/75/55/323217555.db2.gz VUUZNUJTXJUGLP-UHTWSYAYSA-N 1 3 224.348 1.295 20 0 BDADHO CC[C@H](CCO)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000253027230 349226391 /nfs/dbraw/zinc/22/63/91/349226391.db2.gz ODYBMLJLZUEXEM-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC(C)(C)C1 ZINC000309020168 349305554 /nfs/dbraw/zinc/30/55/54/349305554.db2.gz UCIBYDMBKMJMBO-NSHDSACASA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC(C)(C)C1 ZINC000309020168 349305556 /nfs/dbraw/zinc/30/55/56/349305556.db2.gz UCIBYDMBKMJMBO-NSHDSACASA-N 1 3 214.353 1.031 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000132427680 191033416 /nfs/dbraw/zinc/03/34/16/191033416.db2.gz MTHINVHAJPAYTJ-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CC[N@H+](CC)C1 ZINC000132427680 191033419 /nfs/dbraw/zinc/03/34/19/191033419.db2.gz MTHINVHAJPAYTJ-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CC[N@@H+](CC)C1 ZINC000132427680 191033421 /nfs/dbraw/zinc/03/34/21/191033421.db2.gz MTHINVHAJPAYTJ-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCOC1 ZINC000132248371 191028628 /nfs/dbraw/zinc/02/86/28/191028628.db2.gz YBMINTWUQYJWDN-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CCOCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422735058 192447294 /nfs/dbraw/zinc/44/72/94/192447294.db2.gz UKJFDNAETIIDQJ-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO C1CSC[C@H]([NH2+]C2CCNCC2)C1 ZINC000220667108 350181582 /nfs/dbraw/zinc/18/15/82/350181582.db2.gz VAUKLAKFXANNHJ-SNVBAGLBSA-N 1 3 200.351 1.224 20 0 BDADHO C1CSC[C@H](NC2CC[NH2+]CC2)C1 ZINC000220667108 350181584 /nfs/dbraw/zinc/18/15/84/350181584.db2.gz VAUKLAKFXANNHJ-SNVBAGLBSA-N 1 3 200.351 1.224 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000295055192 180274156 /nfs/dbraw/zinc/27/41/56/180274156.db2.gz QQNUBYINOFNIJO-DGCLKSJQSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000295055192 180274158 /nfs/dbraw/zinc/27/41/58/180274158.db2.gz QQNUBYINOFNIJO-DGCLKSJQSA-N 1 3 248.374 1.400 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccccc1F ZINC000422757841 192456907 /nfs/dbraw/zinc/45/69/07/192456907.db2.gz NAYJHMGBSYNUMY-GHMZBOCLSA-N 1 3 240.322 1.920 20 0 BDADHO Cc1ncsc1CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000122360644 180308959 /nfs/dbraw/zinc/30/89/59/180308959.db2.gz SXLOFNQZYGEJKN-ONGXEEELSA-N 1 3 239.388 1.663 20 0 BDADHO CCN1CC[NH+](CCCn2ccnc2C)CC1 ZINC000336688226 350444031 /nfs/dbraw/zinc/44/40/31/350444031.db2.gz GZBADGXJTAOXNT-UHFFFAOYSA-N 1 3 236.363 1.219 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H]2CCCCO2)C1 ZINC000300351763 490558183 /nfs/dbraw/zinc/55/81/83/490558183.db2.gz DIROSGDUAWTKKK-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(CN)CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000300351763 490558186 /nfs/dbraw/zinc/55/81/86/490558186.db2.gz DIROSGDUAWTKKK-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(CN)CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000300351763 490558189 /nfs/dbraw/zinc/55/81/89/490558189.db2.gz DIROSGDUAWTKKK-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO CC1(C[NH2+]CCCN2CCCC2)COC1 ZINC000070617527 350551198 /nfs/dbraw/zinc/55/11/98/350551198.db2.gz IHLKUKJXICGONR-UHFFFAOYSA-N 1 3 212.337 1.098 20 0 BDADHO CC1(CNCCC[NH+]2CCCC2)COC1 ZINC000070617527 350551199 /nfs/dbraw/zinc/55/11/99/350551199.db2.gz IHLKUKJXICGONR-UHFFFAOYSA-N 1 3 212.337 1.098 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251849879 350904598 /nfs/dbraw/zinc/90/45/98/350904598.db2.gz RQJPNEJGEHXPIN-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1C[C@H](CN(C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650096 366032860 /nfs/dbraw/zinc/03/28/60/366032860.db2.gz CVXQLJAODDJINR-GHMZBOCLSA-N 1 3 222.336 1.230 20 0 BDADHO C[C@@H]1C[C@H](CN(C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650096 366032864 /nfs/dbraw/zinc/03/28/64/366032864.db2.gz CVXQLJAODDJINR-GHMZBOCLSA-N 1 3 222.336 1.230 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000577722105 366043734 /nfs/dbraw/zinc/04/37/34/366043734.db2.gz GUVIKIVAGXVGSD-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@H](O)CNC[C@@H](C)C[NH+]1CCCCC1 ZINC000577722105 366043736 /nfs/dbraw/zinc/04/37/36/366043736.db2.gz GUVIKIVAGXVGSD-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CCN[C@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000637857447 351717775 /nfs/dbraw/zinc/71/77/75/351717775.db2.gz WKYYMYVQTNWMIB-NXEZZACHSA-N 1 3 235.331 1.643 20 0 BDADHO CC[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC000638212907 352075199 /nfs/dbraw/zinc/07/51/99/352075199.db2.gz AJRLUOMMXHPWDG-LLVKDONJSA-N 1 3 243.395 1.079 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638209196 352071225 /nfs/dbraw/zinc/07/12/25/352071225.db2.gz JGLUNGOBMRCBDV-GRYCIOLGSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@@H](NCCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638290932 352125245 /nfs/dbraw/zinc/12/52/45/352125245.db2.gz WMCFQLWFWFIVEX-RKDXNWHRSA-N 1 3 206.280 1.571 20 0 BDADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])N(C)C ZINC000638233761 352085900 /nfs/dbraw/zinc/08/59/00/352085900.db2.gz KEXWXMKWXVPVMS-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CC[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000638258468 352101711 /nfs/dbraw/zinc/10/17/11/352101711.db2.gz HXKWKQZOIJOUIS-VIFPVBQESA-N 1 3 233.315 1.226 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000638396226 352203731 /nfs/dbraw/zinc/20/37/31/352203731.db2.gz JEJDSWWIDASWKN-WOPDTQHZSA-N 1 3 241.379 1.088 20 0 BDADHO C[C@]1(C[NH2+]C[C@H]2CCSC2)CCCNC1 ZINC000414918265 352273611 /nfs/dbraw/zinc/27/36/11/352273611.db2.gz UCRJJGQASZBBOQ-NEPJUHHUSA-N 1 3 228.405 1.719 20 0 BDADHO NCc1cccc2c1N(C(=O)CCC[NH3+])CCC2 ZINC000638548348 352377553 /nfs/dbraw/zinc/37/75/53/352377553.db2.gz NJAMHUHEQUPZLH-UHFFFAOYSA-N 1 3 247.342 1.163 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCC2(O)CCC2)CC1 ZINC000411642012 191202735 /nfs/dbraw/zinc/20/27/35/191202735.db2.gz YCVPRXYBJHHINR-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCC2(O)CCC2)CC1 ZINC000411642012 191202738 /nfs/dbraw/zinc/20/27/38/191202738.db2.gz YCVPRXYBJHHINR-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCC2(O)CCC2)CC1 ZINC000411642012 191202741 /nfs/dbraw/zinc/20/27/41/191202741.db2.gz YCVPRXYBJHHINR-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO Cc1cc(C[NH2+][C@H](C)[C@@H](C)N)ccc1F ZINC000415011564 352546753 /nfs/dbraw/zinc/54/67/53/352546753.db2.gz QSTIOKFLYWBPCL-NXEZZACHSA-N 1 3 210.296 1.959 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CC1(F)F ZINC000638681578 352518804 /nfs/dbraw/zinc/51/88/04/352518804.db2.gz KSCAPXRJJSZAMC-NXEZZACHSA-N 1 3 248.317 1.076 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831331 352604863 /nfs/dbraw/zinc/60/48/63/352604863.db2.gz MHNMVVKCUUSUKV-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO OCCC1(C[NH2+][C@@H]2CCCNCC2)CCCC1 ZINC000415087894 352567083 /nfs/dbraw/zinc/56/70/83/352567083.db2.gz VPNQGSRCPGKPMF-CYBMUJFWSA-N 1 3 240.391 1.661 20 0 BDADHO CN(CCC1CC[NH2+]CC1)Cc1cnn(C)c1 ZINC000042489403 352621792 /nfs/dbraw/zinc/62/17/92/352621792.db2.gz COGCBCDVJYZLTL-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215253 352814335 /nfs/dbraw/zinc/81/43/35/352814335.db2.gz UGUUNNWUDGBBCZ-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000334215253 352814337 /nfs/dbraw/zinc/81/43/37/352814337.db2.gz UGUUNNWUDGBBCZ-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@@H](C)[C@H](C[NH2+]CC1=CCN(C)CC1)OC ZINC000638838181 353023304 /nfs/dbraw/zinc/02/33/04/353023304.db2.gz DXKWLGPQHVZGQJ-OCCSQVGLSA-N 1 3 240.391 1.899 20 0 BDADHO c1cnn(C2CC([NH2+]CCCN3CCCC3)C2)c1 ZINC000638847628 353027771 /nfs/dbraw/zinc/02/77/71/353027771.db2.gz CFIJNVLVPPQNOK-UHFFFAOYSA-N 1 3 248.374 1.662 20 0 BDADHO c1cnn(C2CC(NCCC[NH+]3CCCC3)C2)c1 ZINC000638847628 353027773 /nfs/dbraw/zinc/02/77/73/353027773.db2.gz CFIJNVLVPPQNOK-UHFFFAOYSA-N 1 3 248.374 1.662 20 0 BDADHO C(C[NH2+]C1CCOCC1)CN1CCCC1 ZINC000036304288 188278408 /nfs/dbraw/zinc/27/84/08/188278408.db2.gz GJNIFSZJXQEXDC-UHFFFAOYSA-N 1 3 212.337 1.241 20 0 BDADHO C[C@H]1CCC[N@H+](CCN2CCNCC2)[C@H]1C ZINC000252213289 353299101 /nfs/dbraw/zinc/29/91/01/353299101.db2.gz WYTNEESEYFHTRX-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1CCC[N@@H+](CCN2CCNCC2)[C@H]1C ZINC000252213289 353299102 /nfs/dbraw/zinc/29/91/02/353299102.db2.gz WYTNEESEYFHTRX-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000040620964 188312248 /nfs/dbraw/zinc/31/22/48/188312248.db2.gz STRXLTKSFOSKMO-VXGBXAGGSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCSC2)C1 ZINC000040620964 188312250 /nfs/dbraw/zinc/31/22/50/188312250.db2.gz STRXLTKSFOSKMO-VXGBXAGGSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCSC2)C1 ZINC000040620964 188312251 /nfs/dbraw/zinc/31/22/51/188312251.db2.gz STRXLTKSFOSKMO-VXGBXAGGSA-N 1 3 228.405 1.812 20 0 BDADHO C([C@@H]1CCOC1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226435458 188331259 /nfs/dbraw/zinc/33/12/59/188331259.db2.gz ZFNONOWLHVGJMS-OLZOCXBDSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCOC1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226435458 188331261 /nfs/dbraw/zinc/33/12/61/188331261.db2.gz ZFNONOWLHVGJMS-OLZOCXBDSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCOC1)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435458 188331262 /nfs/dbraw/zinc/33/12/62/188331262.db2.gz ZFNONOWLHVGJMS-OLZOCXBDSA-N 1 3 238.375 1.487 20 0 BDADHO C(C1CCC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335623933 188338332 /nfs/dbraw/zinc/33/83/32/188338332.db2.gz RFGZALGNWAYQMV-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO C(C1CCC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335623933 188338334 /nfs/dbraw/zinc/33/83/34/188338334.db2.gz RFGZALGNWAYQMV-ZDUSSCGKSA-N 1 3 208.349 1.862 20 0 BDADHO CC(C)N(C)C[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000309319221 188344819 /nfs/dbraw/zinc/34/48/19/188344819.db2.gz DUBSSVNRLCQDFV-GFCCVEGCSA-N 1 3 227.396 1.399 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCCCCOC)C1 ZINC000226420609 363218104 /nfs/dbraw/zinc/21/81/04/363218104.db2.gz JKTHFQYJNBWODE-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO CN(CCc1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000355732452 188363107 /nfs/dbraw/zinc/36/31/07/188363107.db2.gz JWMKAYVASKXIAG-OAHLLOKOSA-N 1 3 247.386 1.898 20 0 BDADHO CN(CCc1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355732452 188363108 /nfs/dbraw/zinc/36/31/08/188363108.db2.gz JWMKAYVASKXIAG-OAHLLOKOSA-N 1 3 247.386 1.898 20 0 BDADHO CCC[C@@H](CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)OC ZINC000639113787 353714568 /nfs/dbraw/zinc/71/45/68/353714568.db2.gz VIZZATZLNMSHFM-XQQFMLRXSA-N 1 3 226.364 1.295 20 0 BDADHO CCC[C@@H](CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)OC ZINC000639113787 353714570 /nfs/dbraw/zinc/71/45/70/353714570.db2.gz VIZZATZLNMSHFM-XQQFMLRXSA-N 1 3 226.364 1.295 20 0 BDADHO CCCC[C@@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098319 358483973 /nfs/dbraw/zinc/48/39/73/358483973.db2.gz HJCWQXSDOIJKBL-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CN(C)CCOCC[NH2+]C1CCCC1 ZINC000231676786 363348015 /nfs/dbraw/zinc/34/80/15/363348015.db2.gz LIJCMMSWBWLWRD-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177795 354251258 /nfs/dbraw/zinc/25/12/58/354251258.db2.gz GOSLOOVRSNSSMV-WCQYABFASA-N 1 3 249.358 1.559 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177795 354251260 /nfs/dbraw/zinc/25/12/60/354251260.db2.gz GOSLOOVRSNSSMV-WCQYABFASA-N 1 3 249.358 1.559 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2)C1 ZINC000334674113 354417060 /nfs/dbraw/zinc/41/70/60/354417060.db2.gz IWLXLRXZBDQDKA-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCN(CCn3ccnc3)C2)C1 ZINC000334674113 354417062 /nfs/dbraw/zinc/41/70/62/354417062.db2.gz IWLXLRXZBDQDKA-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000334652354 354445190 /nfs/dbraw/zinc/44/51/90/354445190.db2.gz ITWZWYPKJWGJOI-GFCCVEGCSA-N 1 3 247.342 1.602 20 0 BDADHO C[C@H](CNC[C@@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC000346005423 354837874 /nfs/dbraw/zinc/83/78/74/354837874.db2.gz GHZFTUQTETXHQV-CFVMTHIKSA-N 1 3 248.370 1.035 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH2+]C)C1(C)C ZINC000233743543 363407014 /nfs/dbraw/zinc/40/70/14/363407014.db2.gz PYCWGTHUKLRJLB-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)OCC ZINC000530212548 324528632 /nfs/dbraw/zinc/52/86/32/324528632.db2.gz QSMKOLKEJVMRAW-YNEHKIRRSA-N 1 3 228.380 1.909 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000346460649 354964486 /nfs/dbraw/zinc/96/44/86/354964486.db2.gz MXUZTBUEHZZEAW-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000346460649 354964488 /nfs/dbraw/zinc/96/44/88/354964488.db2.gz MXUZTBUEHZZEAW-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCO2)C1 ZINC000346460649 354964490 /nfs/dbraw/zinc/96/44/90/354964490.db2.gz MXUZTBUEHZZEAW-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](CCC1CC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000346516241 354973136 /nfs/dbraw/zinc/97/31/36/354973136.db2.gz CLFXTRORSCFPLA-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H](CC1CCOCC1)CN1CCC([NH3+])CC1 ZINC000346648668 355017930 /nfs/dbraw/zinc/01/79/30/355017930.db2.gz PJZREYKJPGAMOE-LBPRGKRZSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@@H+]2CC[C@@H]([C@@H](C)N)C2)CCOCC1 ZINC000346690752 355075059 /nfs/dbraw/zinc/07/50/59/355075059.db2.gz UVHRQNQSBCYTQX-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@@H]([C@@H](C)N)C2)CCOCC1 ZINC000346690752 355075061 /nfs/dbraw/zinc/07/50/61/355075061.db2.gz UVHRQNQSBCYTQX-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2C[C@H](CN)C[C@H]2C)CCO1 ZINC000346695204 355077129 /nfs/dbraw/zinc/07/71/29/355077129.db2.gz YVIYEVUPGKGQCI-YIYPIFLZSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2C[C@H](CN)C[C@H]2C)CCO1 ZINC000346695204 355077131 /nfs/dbraw/zinc/07/71/31/355077131.db2.gz YVIYEVUPGKGQCI-YIYPIFLZSA-N 1 3 240.391 1.861 20 0 BDADHO CC(C)(C)C[N@H+](CCCO)C[C@@H]1CCCNC1 ZINC000346841383 355133373 /nfs/dbraw/zinc/13/33/73/355133373.db2.gz HGICORFJYPUMBP-CYBMUJFWSA-N 1 3 242.407 1.717 20 0 BDADHO CC(C)(C)C[N@@H+](CCCO)C[C@@H]1CCCNC1 ZINC000346841383 355133375 /nfs/dbraw/zinc/13/33/75/355133375.db2.gz HGICORFJYPUMBP-CYBMUJFWSA-N 1 3 242.407 1.717 20 0 BDADHO CN(C[C@H]1CCC[C@@H]1O)C[C@@H]1CCC[NH2+]C1 ZINC000346975397 355210016 /nfs/dbraw/zinc/21/00/16/355210016.db2.gz IXAQGMSLXPTZOT-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[N@H+](C[C@H]1CCC[C@@H]1O)C[C@@H]1CCCNC1 ZINC000346975397 355210017 /nfs/dbraw/zinc/21/00/17/355210017.db2.gz IXAQGMSLXPTZOT-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO C[N@@H+](C[C@H]1CCC[C@@H]1O)C[C@@H]1CCCNC1 ZINC000346975397 355210019 /nfs/dbraw/zinc/21/00/19/355210019.db2.gz IXAQGMSLXPTZOT-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO CCOC[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346996099 355194986 /nfs/dbraw/zinc/19/49/86/355194986.db2.gz WJDWGJLQAHVVMS-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346996099 355194989 /nfs/dbraw/zinc/19/49/89/355194989.db2.gz WJDWGJLQAHVVMS-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CCOC[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346996099 355194992 /nfs/dbraw/zinc/19/49/92/355194992.db2.gz WJDWGJLQAHVVMS-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@@H]1C[C@H](CN2CCC[C@@H]2C[NH3+])CCO1 ZINC000347011695 355204529 /nfs/dbraw/zinc/20/45/29/355204529.db2.gz GTXOPLKLOZLYPH-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1CC2(CN1Cc1ccnn1C)CC[NH2+]CC2 ZINC000335281765 355272778 /nfs/dbraw/zinc/27/27/78/355272778.db2.gz XFYHRGMBLIHFJU-GFCCVEGCSA-N 1 3 248.374 1.384 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1CCCOC1 ZINC000389011791 355409097 /nfs/dbraw/zinc/40/90/97/355409097.db2.gz SPAZBJIGUWYLHL-ZDEQEGDKSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@@H](C)N1CCCCCC1 ZINC000349952352 355535164 /nfs/dbraw/zinc/53/51/64/355535164.db2.gz OTJARCSMFLITJD-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]1C[N@@H+]([C@H](C)CCOC)CC[C@@H]1N ZINC000251793307 491080479 /nfs/dbraw/zinc/08/04/79/491080479.db2.gz NRTYXJHIPUHBGY-UTUOFQBUSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[N@H+]([C@H](C)CCOC)CC[C@@H]1N ZINC000251793307 491080481 /nfs/dbraw/zinc/08/04/81/491080481.db2.gz NRTYXJHIPUHBGY-UTUOFQBUSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1CN([C@H](C)CCOC)CC[C@@H]1[NH3+] ZINC000251793307 491080483 /nfs/dbraw/zinc/08/04/83/491080483.db2.gz NRTYXJHIPUHBGY-UTUOFQBUSA-N 1 3 214.353 1.471 20 0 BDADHO Cc1ccc(O)c(CN[C@@H](C[NH3+])C2CCCC2)n1 ZINC000415070002 191668036 /nfs/dbraw/zinc/66/80/36/191668036.db2.gz UCBRPOHDXOWINC-LBPRGKRZSA-N 1 3 249.358 1.703 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCOCC1 ZINC000261545622 535296544 /nfs/dbraw/zinc/29/65/44/535296544.db2.gz GDIUMEGEIMVSEA-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO C[N@H+](CC[C@@H]1CCCCO1)C1CCNCC1 ZINC000420271965 192196418 /nfs/dbraw/zinc/19/64/18/192196418.db2.gz LDYNEWXTDOJYTP-ZDUSSCGKSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCCO1)C1CCNCC1 ZINC000420271965 192196420 /nfs/dbraw/zinc/19/64/20/192196420.db2.gz LDYNEWXTDOJYTP-ZDUSSCGKSA-N 1 3 226.364 1.629 20 0 BDADHO CN(CC[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420271965 192196423 /nfs/dbraw/zinc/19/64/23/192196423.db2.gz LDYNEWXTDOJYTP-ZDUSSCGKSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@H+](CC[C@H]1CCCCO1)C1CCNCC1 ZINC000420271964 192197784 /nfs/dbraw/zinc/19/77/84/192197784.db2.gz LDYNEWXTDOJYTP-CYBMUJFWSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@@H+](CC[C@H]1CCCCO1)C1CCNCC1 ZINC000420271964 192197786 /nfs/dbraw/zinc/19/77/86/192197786.db2.gz LDYNEWXTDOJYTP-CYBMUJFWSA-N 1 3 226.364 1.629 20 0 BDADHO CN(CC[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000420271964 192197788 /nfs/dbraw/zinc/19/77/88/192197788.db2.gz LDYNEWXTDOJYTP-CYBMUJFWSA-N 1 3 226.364 1.629 20 0 BDADHO CCCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420334981 192215248 /nfs/dbraw/zinc/21/52/48/192215248.db2.gz UQGWTQKYPSLUGX-GFCCVEGCSA-N 1 3 226.364 1.474 20 0 BDADHO CCCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420334981 192215249 /nfs/dbraw/zinc/21/52/49/192215249.db2.gz UQGWTQKYPSLUGX-GFCCVEGCSA-N 1 3 226.364 1.474 20 0 BDADHO CO[C@]1(C)C[C@@H]([N@H+](C)CCCN)C1(C)C ZINC000420308447 192210925 /nfs/dbraw/zinc/21/09/25/192210925.db2.gz SGDZPQCRRXVZJW-ZYHUDNBSSA-N 1 3 214.353 1.471 20 0 BDADHO CO[C@]1(C)C[C@@H]([N@@H+](C)CCCN)C1(C)C ZINC000420308447 192210926 /nfs/dbraw/zinc/21/09/26/192210926.db2.gz SGDZPQCRRXVZJW-ZYHUDNBSSA-N 1 3 214.353 1.471 20 0 BDADHO COCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420367363 192225941 /nfs/dbraw/zinc/22/59/41/192225941.db2.gz KAMLMWWXIDMMQF-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO Cc1cnn(CCN[C@@](C)(C[NH3+])C(C)C)c1 ZINC000420323444 192226790 /nfs/dbraw/zinc/22/67/90/192226790.db2.gz UHOBWANJVUJJCD-LBPRGKRZSA-N 1 3 224.352 1.155 20 0 BDADHO CC(C)[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420370116 192228331 /nfs/dbraw/zinc/22/83/31/192228331.db2.gz YLWFBXLAKBPDSI-OLZOCXBDSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NCCOCC1CC1 ZINC000420356357 192219254 /nfs/dbraw/zinc/21/92/54/192219254.db2.gz GGMYDKUUVBKHQT-NSHDSACASA-N 1 3 214.353 1.376 20 0 BDADHO CN(C[C@@H](O)C[NH3+])[C@@H]1CCCc2ccccc21 ZINC000420356616 192219928 /nfs/dbraw/zinc/21/99/28/192219928.db2.gz RCCOURJRCBQFBS-GXTWGEPZSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@H+](C[C@@H](O)CN)[C@@H]1CCCc2ccccc21 ZINC000420356616 192219931 /nfs/dbraw/zinc/21/99/31/192219931.db2.gz RCCOURJRCBQFBS-GXTWGEPZSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@@H+](C[C@@H](O)CN)[C@@H]1CCCc2ccccc21 ZINC000420356616 192219932 /nfs/dbraw/zinc/21/99/32/192219932.db2.gz RCCOURJRCBQFBS-GXTWGEPZSA-N 1 3 234.343 1.315 20 0 BDADHO [NH3+]CCOCCN1CCc2ccsc2C1 ZINC000420358038 192220534 /nfs/dbraw/zinc/22/05/34/192220534.db2.gz IVKNPRNPLADVRK-UHFFFAOYSA-N 1 3 226.345 1.082 20 0 BDADHO CCSCCN[C@H](C[NH3+])C(C)(C)C ZINC000420358813 192221642 /nfs/dbraw/zinc/22/16/42/192221642.db2.gz JGTBMXVRBMIWSQ-SECBINFHSA-N 1 3 204.383 1.703 20 0 BDADHO CCN1CCN(CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000352657620 356397087 /nfs/dbraw/zinc/39/70/87/356397087.db2.gz BDLULNYINRQGQD-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H](C)NC[C@@H]1C ZINC000420394434 192236996 /nfs/dbraw/zinc/23/69/96/192236996.db2.gz KOMCDNUYDVKKQO-RYUDHWBXSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H](C)NC[C@@H]1C ZINC000420394434 192236997 /nfs/dbraw/zinc/23/69/97/192236997.db2.gz KOMCDNUYDVKKQO-RYUDHWBXSA-N 1 3 236.363 1.264 20 0 BDADHO CNCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000420422326 192242264 /nfs/dbraw/zinc/24/22/64/192242264.db2.gz ZGJQLTTVBQSGGX-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@H](COC)C1 ZINC000420377154 192231891 /nfs/dbraw/zinc/23/18/91/192231891.db2.gz RRNOPIITGSFEGT-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO CNCCC[N@H+]1CCCC[C@H](COC)C1 ZINC000420377154 192231894 /nfs/dbraw/zinc/23/18/94/192231894.db2.gz RRNOPIITGSFEGT-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO C[NH2+]CCCN1CCCC[C@H](COC)C1 ZINC000420377154 192231897 /nfs/dbraw/zinc/23/18/97/192231897.db2.gz RRNOPIITGSFEGT-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO CCC(CC)(CNCCC[NH2+]C)C(=O)OC ZINC000420380373 192232821 /nfs/dbraw/zinc/23/28/21/192232821.db2.gz WGZIEAJCIYJOMD-UHFFFAOYSA-N 1 3 230.352 1.165 20 0 BDADHO CCN(CCC[NH+]1CCCCC1)C[C@@H](C)O ZINC000352220010 134109199 /nfs/dbraw/zinc/10/91/99/134109199.db2.gz GGZSCDVHKHFAHF-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CC[C@H]1CCCC[N@@H+]1CCN1CCNCC1 ZINC000020179818 356486780 /nfs/dbraw/zinc/48/67/80/356486780.db2.gz WOJXDOBOFKFIIC-ZDUSSCGKSA-N 1 3 225.380 1.156 20 0 BDADHO CC[C@H]1CCCC[N@H+]1CCN1CCNCC1 ZINC000020179818 356486783 /nfs/dbraw/zinc/48/67/83/356486783.db2.gz WOJXDOBOFKFIIC-ZDUSSCGKSA-N 1 3 225.380 1.156 20 0 BDADHO C[C@@H]1C[C@@H](CO)CN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000420944520 192276104 /nfs/dbraw/zinc/27/61/04/192276104.db2.gz QZVRTGICOVJISM-MGPQQGTHSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1C[C@@H](CO)CN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000420944520 192276106 /nfs/dbraw/zinc/27/61/06/192276106.db2.gz QZVRTGICOVJISM-MGPQQGTHSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000639614037 356531642 /nfs/dbraw/zinc/53/16/42/356531642.db2.gz WVECLRMKZJGYMM-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000639614037 356531645 /nfs/dbraw/zinc/53/16/45/356531645.db2.gz WVECLRMKZJGYMM-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420930878 192286740 /nfs/dbraw/zinc/28/67/40/192286740.db2.gz CTYRZQZBXVDJLP-KBPBESRZSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420930878 192286741 /nfs/dbraw/zinc/28/67/41/192286741.db2.gz CTYRZQZBXVDJLP-KBPBESRZSA-N 1 3 242.407 1.669 20 0 BDADHO Cc1nccn1CC[N@@H+](C)C[C@@H]1CCCN1C ZINC000421015245 192301330 /nfs/dbraw/zinc/30/13/30/192301330.db2.gz WYZLYYCVXWTMBO-ZDUSSCGKSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CC[N@H+](C)C[C@@H]1CCCN1C ZINC000421015245 192301333 /nfs/dbraw/zinc/30/13/33/192301333.db2.gz WYZLYYCVXWTMBO-ZDUSSCGKSA-N 1 3 236.363 1.218 20 0 BDADHO C[C@H]1CN(C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000336214852 134136090 /nfs/dbraw/zinc/13/60/90/134136090.db2.gz BKSPVNSYWITXMP-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H]1CN(C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000336214852 134136091 /nfs/dbraw/zinc/13/60/91/134136091.db2.gz BKSPVNSYWITXMP-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO OCCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639681986 356592613 /nfs/dbraw/zinc/59/26/13/356592613.db2.gz DEDGOQBWKTUTKA-UHFFFAOYSA-N 1 3 249.358 1.366 20 0 BDADHO OCCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639681986 356592617 /nfs/dbraw/zinc/59/26/17/356592617.db2.gz DEDGOQBWKTUTKA-UHFFFAOYSA-N 1 3 249.358 1.366 20 0 BDADHO Cn1cc(CN2CCC3(C2)CC[NH+](C)CC3)cn1 ZINC000639757998 356664530 /nfs/dbraw/zinc/66/45/30/356664530.db2.gz OCVQNQSNNRIRBX-UHFFFAOYSA-N 1 3 248.374 1.338 20 0 BDADHO C[C@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000167641286 134153277 /nfs/dbraw/zinc/15/32/77/134153277.db2.gz LLWSBTZKBUWYNG-IJLUTSLNSA-N 1 3 214.353 1.268 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3ccccn3)C2)CC1 ZINC000639758606 356667648 /nfs/dbraw/zinc/66/76/48/356667648.db2.gz WBYIDTGCORNPDN-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO CCc1cc(N2CCC([NH2+]CCO)CC2)ccn1 ZINC000450410321 202159125 /nfs/dbraw/zinc/15/91/25/202159125.db2.gz MLRJQRSERJAZJC-UHFFFAOYSA-N 1 3 249.358 1.195 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000578193618 366379667 /nfs/dbraw/zinc/37/96/67/366379667.db2.gz IRUWKYMBHVQAKB-UKKRHICBSA-N 1 3 202.317 1.983 20 0 BDADHO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000353536559 538749932 /nfs/dbraw/zinc/74/99/32/538749932.db2.gz YDFINWMNEMECKM-OLZOCXBDSA-N 1 3 240.391 1.467 20 0 BDADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000041680201 358513288 /nfs/dbraw/zinc/51/32/88/358513288.db2.gz FHAMXZDZAAHRBN-GHMZBOCLSA-N 1 3 243.395 1.206 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000156252152 538775140 /nfs/dbraw/zinc/77/51/40/538775140.db2.gz VOCCZUXRNFBRGP-BFHYXJOUSA-N 1 3 241.423 1.789 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000300409379 357041213 /nfs/dbraw/zinc/04/12/13/357041213.db2.gz ZGAXGIOKAZGFNJ-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000300409379 357041214 /nfs/dbraw/zinc/04/12/14/357041214.db2.gz ZGAXGIOKAZGFNJ-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@@H](CC[NH2+]CC1(O)CCC1)N1CCCCC1 ZINC000582416471 357138922 /nfs/dbraw/zinc/13/89/22/357138922.db2.gz WILGXPGSAXBNSL-ZDUSSCGKSA-N 1 3 240.391 1.756 20 0 BDADHO C[C@@H](CCNCC1(O)CCC1)[NH+]1CCCCC1 ZINC000582416471 357138925 /nfs/dbraw/zinc/13/89/25/357138925.db2.gz WILGXPGSAXBNSL-ZDUSSCGKSA-N 1 3 240.391 1.756 20 0 BDADHO CSC[C@@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000399997673 357144981 /nfs/dbraw/zinc/14/49/81/357144981.db2.gz LITANOTYHFDMHO-MNOVXSKESA-N 1 3 214.378 1.423 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCc2nccs2)C1 ZINC000391185255 357125363 /nfs/dbraw/zinc/12/53/63/357125363.db2.gz VWDWVHPODIWASR-QWRGUYRKSA-N 1 3 239.388 1.935 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCCc2nccs2)C1 ZINC000391185255 357125368 /nfs/dbraw/zinc/12/53/68/357125368.db2.gz VWDWVHPODIWASR-QWRGUYRKSA-N 1 3 239.388 1.935 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000582546433 357331515 /nfs/dbraw/zinc/33/15/15/357331515.db2.gz RNZGSPCIOTXDOX-DCAQKATOSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H](O)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000582541359 357340252 /nfs/dbraw/zinc/34/02/52/357340252.db2.gz AAUVFJIHPRUIQA-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@@H](O)[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000582541359 357340254 /nfs/dbraw/zinc/34/02/54/357340254.db2.gz AAUVFJIHPRUIQA-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO Cc1nccnc1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000583078291 357473620 /nfs/dbraw/zinc/47/36/20/357473620.db2.gz LGZJFPHNNBXXMF-GXTWGEPZSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000583078291 357473623 /nfs/dbraw/zinc/47/36/23/357473623.db2.gz LGZJFPHNNBXXMF-GXTWGEPZSA-N 1 3 248.374 1.435 20 0 BDADHO C[C@H]1C[C@H](NCCc2ccn(C)n2)CC[N@@H+]1C ZINC000230898259 357577966 /nfs/dbraw/zinc/57/79/66/357577966.db2.gz WKWUASWJAZLGAA-WCQYABFASA-N 1 3 236.363 1.035 20 0 BDADHO C[C@H]1C[C@H](NCCc2ccn(C)n2)CC[N@H+]1C ZINC000230898259 357577969 /nfs/dbraw/zinc/57/79/69/357577969.db2.gz WKWUASWJAZLGAA-WCQYABFASA-N 1 3 236.363 1.035 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC000230479259 357525772 /nfs/dbraw/zinc/52/57/72/357525772.db2.gz VASLZAAJWNIYEP-AAEUAGOBSA-N 1 3 228.380 1.373 20 0 BDADHO CCC(CC)[C@@H](O)C[NH2+]C[C@H]1CCCNC1 ZINC000230479259 357525776 /nfs/dbraw/zinc/52/57/76/357525776.db2.gz VASLZAAJWNIYEP-AAEUAGOBSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@@H]1CN(C)CCN1CC[C@@H]1CCC[NH2+]C1 ZINC000235479076 357871286 /nfs/dbraw/zinc/87/12/86/357871286.db2.gz DOALNLRSWXMMOR-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCCC1(C)C ZINC000584415530 357915534 /nfs/dbraw/zinc/91/55/34/357915534.db2.gz MQBFWHJYEGGUBL-PWSUYJOCSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@]1(C(=O)Nc2ccc3c(c2)CNC3)CCC[NH2+]1 ZINC000583742291 357932697 /nfs/dbraw/zinc/93/26/97/357932697.db2.gz DVFYQIBSRPCJEU-CQSZACIVSA-N 1 3 245.326 1.370 20 0 BDADHO C(CN1CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000168739572 134247667 /nfs/dbraw/zinc/24/76/67/134247667.db2.gz GWPUMVPYUBYSRG-CYBMUJFWSA-N 1 3 225.380 1.204 20 0 BDADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536396 134248516 /nfs/dbraw/zinc/24/85/16/134248516.db2.gz YUYHNMXRYUNXOX-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)C[C@H](C)S1 ZINC000226670108 358342649 /nfs/dbraw/zinc/34/26/49/358342649.db2.gz IQBNLJRJNPAIIW-TUAOUCFPSA-N 1 3 228.405 1.812 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1cncs1 ZINC000219320964 134281618 /nfs/dbraw/zinc/28/16/18/134281618.db2.gz WWCNNLUWTOQSRA-SNVBAGLBSA-N 1 3 243.376 1.372 20 0 BDADHO CCOC(=O)CCCCCN1CCC[C@H]1C[NH3+] ZINC000131859547 358697823 /nfs/dbraw/zinc/69/78/23/358697823.db2.gz SRRWCBVAVNXQBC-LBPRGKRZSA-N 1 3 242.363 1.533 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)C(C)C)CC1 ZINC000133714664 358766629 /nfs/dbraw/zinc/76/66/29/358766629.db2.gz IUBOSTPUGVJWPB-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO CCOC[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000132247147 358713964 /nfs/dbraw/zinc/71/39/64/358713964.db2.gz PKSHNVZJAQNWFH-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCn2cccn2)[C@H](C)C1 ZINC000134076646 358779157 /nfs/dbraw/zinc/77/91/57/358779157.db2.gz CNRNDYLSULFQQC-OLZOCXBDSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@H](NCCn2cccn2)[C@H](C)C1 ZINC000134076646 358779160 /nfs/dbraw/zinc/77/91/60/358779160.db2.gz CNRNDYLSULFQQC-OLZOCXBDSA-N 1 3 236.363 1.203 20 0 BDADHO CN1CCCN(CCC[NH2+]C2CCCC2)CC1 ZINC000053498899 358829647 /nfs/dbraw/zinc/82/96/47/358829647.db2.gz KLBFDMMMZSGPGX-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086402471 358966800 /nfs/dbraw/zinc/96/68/00/358966800.db2.gz NIWHVBPBRHKTPM-RYUDHWBXSA-N 1 3 214.353 1.661 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000069858064 359034824 /nfs/dbraw/zinc/03/48/24/359034824.db2.gz BNQPMUFJMMTNFP-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](COC)C2CC2)C1 ZINC000246445586 359090101 /nfs/dbraw/zinc/09/01/01/359090101.db2.gz OEWDKMXAAWOSJK-DGCLKSJQSA-N 1 3 226.364 1.343 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423403269 192744851 /nfs/dbraw/zinc/74/48/51/192744851.db2.gz RYWWZUTYGQIVHP-RFGFWPKPSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CN ZINC000423406604 192746252 /nfs/dbraw/zinc/74/62/52/192746252.db2.gz UXEBRIJZOOHRKQ-NEPJUHHUSA-N 1 3 221.348 1.730 20 0 BDADHO C[C@H](NCc1ccc2c(c1)CNC2)[C@H]1CCC[NH2+]1 ZINC000423387446 192761665 /nfs/dbraw/zinc/76/16/65/192761665.db2.gz MURRADBSURACRK-XHDPSFHLSA-N 1 3 245.370 1.520 20 0 BDADHO C[NH+]1CCC(NCc2cccc3c[nH]nc32)CC1 ZINC000083998701 359807401 /nfs/dbraw/zinc/80/74/01/359807401.db2.gz XLRPZWJSSDLKCJ-UHFFFAOYSA-N 1 3 244.342 1.747 20 0 BDADHO COCC1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000451171037 202369657 /nfs/dbraw/zinc/36/96/57/202369657.db2.gz HGJLSWHFFACBLU-HSBZDZAISA-N 1 3 242.407 1.979 20 0 BDADHO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)CCN(C)C ZINC000087409480 359911455 /nfs/dbraw/zinc/91/14/55/359911455.db2.gz GCCQTHBAHCJZHL-MNOVXSKESA-N 1 3 238.379 1.719 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000089139533 359991971 /nfs/dbraw/zinc/99/19/71/359991971.db2.gz QCQYJKVQQQKFPC-OCCSQVGLSA-N 1 3 233.359 1.731 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCc1ccccn1 ZINC000089139533 359991975 /nfs/dbraw/zinc/99/19/75/359991975.db2.gz QCQYJKVQQQKFPC-OCCSQVGLSA-N 1 3 233.359 1.731 20 0 BDADHO C(CN1CCCCC1)OCC[NH+]1CCCCC1 ZINC000139297811 325563037 /nfs/dbraw/zinc/56/30/37/325563037.db2.gz BGCIQVDCELLTFR-UHFFFAOYSA-N 1 3 240.391 1.975 20 0 BDADHO CSC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000300829050 360524390 /nfs/dbraw/zinc/52/43/90/360524390.db2.gz JYJXQPKTNWDFCN-JTQLQIEISA-N 1 3 214.378 1.423 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631198921 360760806 /nfs/dbraw/zinc/76/08/06/360760806.db2.gz MWFJXJAOOCQSCP-HZSPNIEDSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631198921 360760810 /nfs/dbraw/zinc/76/08/10/360760810.db2.gz MWFJXJAOOCQSCP-HZSPNIEDSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000631198921 360760816 /nfs/dbraw/zinc/76/08/16/360760816.db2.gz MWFJXJAOOCQSCP-HZSPNIEDSA-N 1 3 240.391 1.754 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)NC[C@H]1CCCOC1 ZINC000414899456 200777781 /nfs/dbraw/zinc/77/77/81/200777781.db2.gz BYOBSOQGWSOCBG-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO Cc1ccc(CNCCOCCC[NH3+])cc1F ZINC000629398787 361048674 /nfs/dbraw/zinc/04/86/74/361048674.db2.gz HSQFCLMNVQPXRN-UHFFFAOYSA-N 1 3 240.322 1.589 20 0 BDADHO C[C@@H](CC1CCOCC1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629409401 361058113 /nfs/dbraw/zinc/05/81/13/361058113.db2.gz APKZKOBJJKULRD-DYEKYZERSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](CC(C)C)NCC1([NH3+])CCOCC1 ZINC000629521707 361117936 /nfs/dbraw/zinc/11/79/36/361117936.db2.gz RUHBIPJCRKCLBK-LBPRGKRZSA-N 1 3 244.379 1.145 20 0 BDADHO FCC[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000629502183 361102628 /nfs/dbraw/zinc/10/26/28/361102628.db2.gz UXIZGNYLTKUXRX-LBPRGKRZSA-N 1 3 230.327 1.046 20 0 BDADHO CCO[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)C1CC1 ZINC000629509368 361103084 /nfs/dbraw/zinc/10/30/84/361103084.db2.gz DKVMSEQDUOPGRR-RAIGVLPGSA-N 1 3 226.364 1.471 20 0 BDADHO CCC[C@H](CN[C@H](C)C[C@H](C)[NH3+])OCC ZINC000629515387 361113857 /nfs/dbraw/zinc/11/38/57/361113857.db2.gz QXLLCWNUXCUWPN-QJPTWQEYSA-N 1 3 216.369 1.907 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCN1CC(F)F ZINC000629517917 361113925 /nfs/dbraw/zinc/11/39/25/361113925.db2.gz AAHHMCMZUNVCHH-GARJFASQSA-N 1 3 249.349 1.431 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCCN1CC(F)F ZINC000629517917 361113928 /nfs/dbraw/zinc/11/39/28/361113928.db2.gz AAHHMCMZUNVCHH-GARJFASQSA-N 1 3 249.349 1.431 20 0 BDADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@H]1CCOC1 ZINC000629526219 361128481 /nfs/dbraw/zinc/12/84/81/361128481.db2.gz NOIOIADRZVUWIX-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@@H](CN1CCC(C)([NH3+])CC1)C1CC1 ZINC000629527589 361130358 /nfs/dbraw/zinc/13/03/58/361130358.db2.gz ZPPHAEAPFKEJPY-LBPRGKRZSA-N 1 3 226.364 1.615 20 0 BDADHO C[NH2+]CCOCCN[C@@H]1CCc2ccc(C)cc21 ZINC000629528891 361138001 /nfs/dbraw/zinc/13/80/01/361138001.db2.gz MLBJTYLRZGPXCI-OAHLLOKOSA-N 1 3 248.370 1.808 20 0 BDADHO Nc1ncccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000629529011 361138669 /nfs/dbraw/zinc/13/86/69/361138669.db2.gz PEZRNLCYZLHMOY-NSHDSACASA-N 1 3 234.347 1.225 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cc(C)oc1C ZINC000629529813 361140628 /nfs/dbraw/zinc/14/06/28/361140628.db2.gz NIZBOAISPTYTIN-LLVKDONJSA-N 1 3 240.347 1.783 20 0 BDADHO CCSCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000158578508 361205435 /nfs/dbraw/zinc/20/54/35/361205435.db2.gz AKWSTVFHFIXRPW-NXEZZACHSA-N 1 3 202.367 1.409 20 0 BDADHO COCCCCN(C)C1CC[NH2+]CC1 ZINC000158502811 361200791 /nfs/dbraw/zinc/20/07/91/361200791.db2.gz SGBNOVCBRBDNHN-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CCSCCN1CCC[C@H](C[NH3+])C1 ZINC000158567518 361204234 /nfs/dbraw/zinc/20/42/34/361204234.db2.gz HMOPAZVEBSLSED-SNVBAGLBSA-N 1 3 202.367 1.410 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N)C1 ZINC000622044521 370672724 /nfs/dbraw/zinc/67/27/24/370672724.db2.gz JAWHPTUBKKXMET-GARJFASQSA-N 1 3 200.326 1.271 20 0 BDADHO CCO[C@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000622045149 370678429 /nfs/dbraw/zinc/67/84/29/370678429.db2.gz DJEGGWAAHCEMMQ-AXFHLTTASA-N 1 3 214.353 1.517 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000622045149 370678434 /nfs/dbraw/zinc/67/84/34/370678434.db2.gz DJEGGWAAHCEMMQ-AXFHLTTASA-N 1 3 214.353 1.517 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)NCC[C@H](C)[NH3+] ZINC000622044990 370678846 /nfs/dbraw/zinc/67/88/46/370678846.db2.gz ZLVCZAUAKRZKFB-VHSXEESVSA-N 1 3 236.363 1.237 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428488172 201025359 /nfs/dbraw/zinc/02/53/59/201025359.db2.gz YZRCUVPLCXPJRV-QWRGUYRKSA-N 1 3 241.379 1.138 20 0 BDADHO CCO[C@H]1C[C@H](NCC[C@H](C)[NH3+])C12CCC2 ZINC000622045344 370680279 /nfs/dbraw/zinc/68/02/79/370680279.db2.gz OCGYXMWBMMWAOU-SRVKXCTJSA-N 1 3 226.364 1.661 20 0 BDADHO CC[NH2+]CCCNC(=O)[C@@H](CC)N(CC)CC ZINC000579235883 366742410 /nfs/dbraw/zinc/74/24/10/366742410.db2.gz MMDIGWHNSMPAGG-GFCCVEGCSA-N 1 3 243.395 1.223 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)C1(CO)CCC1 ZINC000429233532 201080558 /nfs/dbraw/zinc/08/05/58/201080558.db2.gz MLRGLOMPZNIYBR-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)C1(CO)CCC1 ZINC000429233532 201080560 /nfs/dbraw/zinc/08/05/60/201080560.db2.gz MLRGLOMPZNIYBR-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO C/C=C/CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629537070 361400202 /nfs/dbraw/zinc/40/02/02/361400202.db2.gz JOWDTNRQAFLIMI-KJOZOPHSSA-N 1 3 224.348 1.309 20 0 BDADHO CCO[C@@H](C[NH2+][C@H]1CCNCC1(C)C)C1CC1 ZINC000629537707 361400842 /nfs/dbraw/zinc/40/08/42/361400842.db2.gz PVAUUQYKQKGCME-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H](CN[C@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537707 361400847 /nfs/dbraw/zinc/40/08/47/361400847.db2.gz PVAUUQYKQKGCME-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](O)CCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000429560506 201115823 /nfs/dbraw/zinc/11/58/23/201115823.db2.gz ZHVXYBQCALZFQP-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429560506 201115827 /nfs/dbraw/zinc/11/58/27/201115827.db2.gz ZHVXYBQCALZFQP-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](O)CCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429560506 201115830 /nfs/dbraw/zinc/11/58/30/201115830.db2.gz ZHVXYBQCALZFQP-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)C1CNC1 ZINC000629540523 361414420 /nfs/dbraw/zinc/41/44/20/361414420.db2.gz VEWPITPHBLMRBA-KQXIARHKSA-N 1 3 208.349 1.620 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc[nH]c1=O ZINC000629547485 361430334 /nfs/dbraw/zinc/43/03/34/361430334.db2.gz TXXBQVBSUCZVDT-KOLCDFICSA-N 1 3 221.304 1.004 20 0 BDADHO CN1CCC[C@H]1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000629548112 361432431 /nfs/dbraw/zinc/43/24/31/361432431.db2.gz CXBHBOLGZQBFBY-RWMBFGLXSA-N 1 3 225.380 1.330 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@@H]1CCOC1 ZINC000629548519 361434433 /nfs/dbraw/zinc/43/44/33/361434433.db2.gz POCYDBMFNYFOOQ-WHOHXGKFSA-N 1 3 212.337 1.142 20 0 BDADHO FCC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000629580708 361469815 /nfs/dbraw/zinc/46/98/15/361469815.db2.gz FADQBMAXEHAUNY-CHWSQXEVSA-N 1 3 244.354 1.437 20 0 BDADHO FCC[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629580706 361469830 /nfs/dbraw/zinc/46/98/30/361469830.db2.gz FACFRZGVFOCJMN-RYUDHWBXSA-N 1 3 230.327 1.046 20 0 BDADHO Cc1ccc(CN(C)CCOCC[NH3+])cc1F ZINC000629581066 361471040 /nfs/dbraw/zinc/47/10/40/361471040.db2.gz LUJSRABGZFSOOH-UHFFFAOYSA-N 1 3 240.322 1.541 20 0 BDADHO C/C=C/C[C@@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000629594410 361486543 /nfs/dbraw/zinc/48/65/43/361486543.db2.gz CDBFRZAUHCUEPM-KOABKASLSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C/C[C@@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000629594410 361486547 /nfs/dbraw/zinc/48/65/47/361486547.db2.gz CDBFRZAUHCUEPM-KOABKASLSA-N 1 3 240.391 1.635 20 0 BDADHO C/C=C/C[C@@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000629594410 361486551 /nfs/dbraw/zinc/48/65/51/361486551.db2.gz CDBFRZAUHCUEPM-KOABKASLSA-N 1 3 240.391 1.635 20 0 BDADHO CC[C@H](C(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000629610785 361500439 /nfs/dbraw/zinc/50/04/39/361500439.db2.gz IIRGSHUJYMMZMD-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CC2=CCCOC2)C1 ZINC000629647018 361535597 /nfs/dbraw/zinc/53/55/97/361535597.db2.gz JHNJPXGLFFIOIC-JQWIXIFHSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@@H]1C[C@@H](C)N(Cc2ccn(C)c2)C[C@H]1C[NH3+] ZINC000629648050 361538848 /nfs/dbraw/zinc/53/88/48/361538848.db2.gz FUJGJEJVFDBJBB-YRGRVCCFSA-N 1 3 235.375 1.830 20 0 BDADHO C[C@H](NCC1=CCCOC1)[C@H]1CCC[NH2+]C1 ZINC000629648356 361540884 /nfs/dbraw/zinc/54/08/84/361540884.db2.gz ULDDXDRSQSOCER-AAEUAGOBSA-N 1 3 224.348 1.311 20 0 BDADHO C[C@H]([NH2+]CC1=CCCOC1)[C@H]1CCCNC1 ZINC000629648356 361540888 /nfs/dbraw/zinc/54/08/88/361540888.db2.gz ULDDXDRSQSOCER-AAEUAGOBSA-N 1 3 224.348 1.311 20 0 BDADHO [NH3+]C[C@H](NCC1=CCCOC1)C1CCCC1 ZINC000629648586 361542431 /nfs/dbraw/zinc/54/24/31/361542431.db2.gz RREUVKXGFNHVLP-ZDUSSCGKSA-N 1 3 224.348 1.440 20 0 BDADHO Cn1ccc(C[NH2+]C2(C)CCNCC2)c1 ZINC000629649530 361544466 /nfs/dbraw/zinc/54/44/66/361544466.db2.gz UZKKTMVHAGXASN-UHFFFAOYSA-N 1 3 207.321 1.257 20 0 BDADHO C[NH2+]Cc1ccccc1CNCC1=CCCOC1 ZINC000629650008 361546573 /nfs/dbraw/zinc/54/65/73/361546573.db2.gz OAQONXHUTGOAGD-UHFFFAOYSA-N 1 3 246.354 1.842 20 0 BDADHO Cn1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000629649660 361546861 /nfs/dbraw/zinc/54/68/61/361546861.db2.gz YUGHTAHTZVGCDB-NWDGAFQWSA-N 1 3 207.321 1.385 20 0 BDADHO C[C@@H]1CCCN(Cc2ccn(C)c2)[C@H]1CC[NH3+] ZINC000629650703 361548570 /nfs/dbraw/zinc/54/85/70/361548570.db2.gz ZTAASMMBWUNKBA-OCCSQVGLSA-N 1 3 235.375 1.974 20 0 BDADHO C1=C(C[N@H+](C2CC2)C2CCNCC2)COCC1 ZINC000629652127 361549627 /nfs/dbraw/zinc/54/96/27/361549627.db2.gz WPRKAXTVDNYFFB-UHFFFAOYSA-N 1 3 236.359 1.550 20 0 BDADHO C1=C(C[N@@H+](C2CC2)C2CCNCC2)COCC1 ZINC000629652127 361549631 /nfs/dbraw/zinc/54/96/31/361549631.db2.gz WPRKAXTVDNYFFB-UHFFFAOYSA-N 1 3 236.359 1.550 20 0 BDADHO Cn1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000629653842 361554088 /nfs/dbraw/zinc/55/40/88/361554088.db2.gz KTZDUZWSCAQWAZ-STQMWFEESA-N 1 3 221.348 1.632 20 0 BDADHO COC1(CNC[C@@H]([NH3+])C(C)C)CCCC1 ZINC000629653897 361554866 /nfs/dbraw/zinc/55/48/66/361554866.db2.gz MFGJXIRDSMYHGK-LLVKDONJSA-N 1 3 214.353 1.519 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCSC1 ZINC000629651010 361556035 /nfs/dbraw/zinc/55/60/35/361556035.db2.gz NOIIQGKARIPXQM-QWRGUYRKSA-N 1 3 226.389 1.614 20 0 BDADHO CN(C/C=C/c1ccccc1)CCOCC[NH3+] ZINC000629663012 361595508 /nfs/dbraw/zinc/59/55/08/361595508.db2.gz JEJDQADWFUEFJK-VMPITWQZSA-N 1 3 234.343 1.607 20 0 BDADHO CCN(CCn1cccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614924 201279031 /nfs/dbraw/zinc/27/90/31/201279031.db2.gz NTTHAMNYJJPMAI-ZDUSSCGKSA-N 1 3 236.363 1.347 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2C)CCN1C ZINC000154518368 201282353 /nfs/dbraw/zinc/28/23/53/201282353.db2.gz AJSCCWPJWGCKSV-AGIUHOORSA-N 1 3 225.380 1.153 20 0 BDADHO NCCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000437796974 201374841 /nfs/dbraw/zinc/37/48/41/201374841.db2.gz IICZZFZBRHIKCT-UHFFFAOYSA-N 1 3 226.364 1.664 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000573338665 364804408 /nfs/dbraw/zinc/80/44/08/364804408.db2.gz VDMVNQCAMIWVRZ-FVCCEPFGSA-N 1 3 226.364 1.519 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000580514355 364777291 /nfs/dbraw/zinc/77/72/91/364777291.db2.gz NPXYLMYZZFUHDW-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000580514355 364777297 /nfs/dbraw/zinc/77/72/97/364777297.db2.gz NPXYLMYZZFUHDW-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000328376893 364841676 /nfs/dbraw/zinc/84/16/76/364841676.db2.gz UFSYIUORQXFZLU-AAVRWANBSA-N 1 3 238.375 1.221 20 0 BDADHO COC(=O)CCCN1CCC(CC[NH3+])CC1 ZINC000069730073 541386197 /nfs/dbraw/zinc/38/61/97/541386197.db2.gz BYOWYINKFBCWHG-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC(C)(C)C[C@H]1C ZINC000574050130 364977480 /nfs/dbraw/zinc/97/74/80/364977480.db2.gz BVFOWPJFJQVCRD-VXGBXAGGSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC(C)(C)C[C@H]1C ZINC000574050130 364977483 /nfs/dbraw/zinc/97/74/83/364977483.db2.gz BVFOWPJFJQVCRD-VXGBXAGGSA-N 1 3 228.380 1.419 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000574392833 365050936 /nfs/dbraw/zinc/05/09/36/365050936.db2.gz IGWNIZULSMMUDJ-NNYUYHANSA-N 1 3 214.353 1.218 20 0 BDADHO C[C@H](O)[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000574392833 365050940 /nfs/dbraw/zinc/05/09/40/365050940.db2.gz IGWNIZULSMMUDJ-NNYUYHANSA-N 1 3 214.353 1.218 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CCO[C@@H]1c1ccccc1 ZINC000574519511 365079883 /nfs/dbraw/zinc/07/98/83/365079883.db2.gz OOQPSNWOSGZKHU-WCFLWFBJSA-N 1 3 220.316 1.453 20 0 BDADHO CCN(CC)CCC[N@H+](C)CCCOC ZINC000171940762 365259925 /nfs/dbraw/zinc/25/99/25/365259925.db2.gz CKIFEBWCWZOACX-UHFFFAOYSA-N 1 3 216.369 1.687 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CCCOC ZINC000171940762 365259932 /nfs/dbraw/zinc/25/99/32/365259932.db2.gz CKIFEBWCWZOACX-UHFFFAOYSA-N 1 3 216.369 1.687 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243500 365268131 /nfs/dbraw/zinc/26/81/31/365268131.db2.gz ANUQXCLPVPKKND-GWOFURMSSA-N 1 3 206.289 1.605 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCC2CCC2)CC[N@@H+]1C ZINC000576203767 365520693 /nfs/dbraw/zinc/52/06/93/365520693.db2.gz QKTZEQDOXVQSFT-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCC2CCC2)CC[N@H+]1C ZINC000576203767 365520701 /nfs/dbraw/zinc/52/07/01/365520701.db2.gz QKTZEQDOXVQSFT-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)CN1CCN(CCC[NH2+]C2CC2)CC1 ZINC000055075704 541515535 /nfs/dbraw/zinc/51/55/35/541515535.db2.gz FDCQWVFZIHPAFG-UHFFFAOYSA-N 1 3 239.407 1.402 20 0 BDADHO N[C@@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844565 367187445 /nfs/dbraw/zinc/18/74/45/367187445.db2.gz RSOWQBTXNMBCQR-RDBSUJKOSA-N 1 3 233.359 1.546 20 0 BDADHO CC[NH+]1CCC(NC2(COC)CC2)CC1 ZINC000380351374 367190222 /nfs/dbraw/zinc/19/02/22/367190222.db2.gz VGPNSJUOOBHEBJ-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCC2(F)CC2)C1 ZINC000580938172 367210405 /nfs/dbraw/zinc/21/04/05/367210405.db2.gz WOJZYBHOZWQYQO-NSHDSACASA-N 1 3 214.328 1.810 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCC2(F)CC2)C1 ZINC000580938172 367210413 /nfs/dbraw/zinc/21/04/13/367210413.db2.gz WOJZYBHOZWQYQO-NSHDSACASA-N 1 3 214.328 1.810 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](F)C2)C1 ZINC000581260168 367311780 /nfs/dbraw/zinc/31/17/80/367311780.db2.gz FESPGYYVXVXORF-VLEAKVRGSA-N 1 3 200.301 1.737 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000381470008 367414001 /nfs/dbraw/zinc/41/40/01/367414001.db2.gz NZQAICPEASKCPZ-LPWJVIDDSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000381470008 367414005 /nfs/dbraw/zinc/41/40/05/367414005.db2.gz NZQAICPEASKCPZ-LPWJVIDDSA-N 1 3 226.364 1.626 20 0 BDADHO COC[C@H]([NH2+]CC[C@H]1CCCN1C)C(C)C ZINC000381745157 367452636 /nfs/dbraw/zinc/45/26/36/367452636.db2.gz PWDVBEXTHIIRLC-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](NCC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000381745157 367452639 /nfs/dbraw/zinc/45/26/39/367452639.db2.gz PWDVBEXTHIIRLC-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](NCC[C@H]1CCC[N@H+]1C)C(C)C ZINC000381745157 367452642 /nfs/dbraw/zinc/45/26/42/367452642.db2.gz PWDVBEXTHIIRLC-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248437 367609742 /nfs/dbraw/zinc/60/97/42/367609742.db2.gz WBMOZCKPTUJRBD-UWVGGRQHSA-N 1 3 218.291 1.749 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC000384749388 367725946 /nfs/dbraw/zinc/72/59/46/367725946.db2.gz MNIXROADKXUCFV-KKOKHZNYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2)[C@@H](C)O1 ZINC000384749388 367725949 /nfs/dbraw/zinc/72/59/49/367725949.db2.gz MNIXROADKXUCFV-KKOKHZNYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000384776877 367730039 /nfs/dbraw/zinc/73/00/39/367730039.db2.gz VRGJBJFVBKPAMN-IJLUTSLNSA-N 1 3 214.353 1.255 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@H](C)O[C@H]1C ZINC000566088216 325992374 /nfs/dbraw/zinc/99/23/74/325992374.db2.gz LUPCMLRFXMDDNQ-GARJFASQSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000384949150 367763145 /nfs/dbraw/zinc/76/31/45/367763145.db2.gz FYFISAPBJZFJRM-GRYCIOLGSA-N 1 3 228.380 1.643 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000581720384 367782372 /nfs/dbraw/zinc/78/23/72/367782372.db2.gz PYGDJBGEBGJAPM-NOOOWODRSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CCN1C ZINC000566185307 326008979 /nfs/dbraw/zinc/00/89/79/326008979.db2.gz AZNLGRBAGXCKGJ-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)N(C)C ZINC000386574147 367994309 /nfs/dbraw/zinc/99/43/09/367994309.db2.gz MPWSUOVKIHZFRU-SRVKXCTJSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@@H](NCC1CC[NH2+]CC1)c1ccc(F)cn1 ZINC000581937745 367964629 /nfs/dbraw/zinc/96/46/29/367964629.db2.gz KSLWQDRMISCDEZ-SNVBAGLBSA-N 1 3 237.322 1.871 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386446011 367973798 /nfs/dbraw/zinc/97/37/98/367973798.db2.gz NJMXNJXKCAJSPR-RNJOBUHISA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H](NCCN1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000386464872 367978936 /nfs/dbraw/zinc/97/89/36/367978936.db2.gz PTCIWSKHQGTLSP-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)N(C)C ZINC000387403182 368169367 /nfs/dbraw/zinc/16/93/67/368169367.db2.gz BAUBJLIVLGEUMV-MNOVXSKESA-N 1 3 243.395 1.077 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000566423170 326044401 /nfs/dbraw/zinc/04/44/01/326044401.db2.gz BZAKABKPWMNPFX-UTUOFQBUSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H](O)C1(C)C ZINC000566423170 326044402 /nfs/dbraw/zinc/04/44/02/326044402.db2.gz BZAKABKPWMNPFX-UTUOFQBUSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H](O)C1(C)C ZINC000566423170 326044403 /nfs/dbraw/zinc/04/44/03/326044403.db2.gz BZAKABKPWMNPFX-UTUOFQBUSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000253180063 368591062 /nfs/dbraw/zinc/59/10/62/368591062.db2.gz DGHGXRJPSCUGGR-FRRDWIJNSA-N 1 3 226.364 1.472 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2nccs2)C1 ZINC000086404121 368879880 /nfs/dbraw/zinc/87/98/80/368879880.db2.gz MNWLDOWCVVUMAQ-VHSXEESVSA-N 1 3 225.361 1.545 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821749 368974916 /nfs/dbraw/zinc/97/49/16/368974916.db2.gz HYNWUVIMRGDYNC-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000631821749 368974921 /nfs/dbraw/zinc/97/49/21/368974921.db2.gz HYNWUVIMRGDYNC-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]1OCC[C@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623657182 368997760 /nfs/dbraw/zinc/99/77/60/368997760.db2.gz KYKMQIYUBKZVCE-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1OCC[C@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657182 368997762 /nfs/dbraw/zinc/99/77/62/368997762.db2.gz KYKMQIYUBKZVCE-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1OCC[C@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830131 369007179 /nfs/dbraw/zinc/00/71/79/369007179.db2.gz KUCAIUNIYUAUTO-RQJABVFESA-N 1 3 238.375 1.343 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCCCO1 ZINC000631827595 368992978 /nfs/dbraw/zinc/99/29/78/368992978.db2.gz RCVNEMUSOVQKAI-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000155246544 326189755 /nfs/dbraw/zinc/18/97/55/326189755.db2.gz ZMMVEMSHDVWMIW-UTUOFQBUSA-N 1 3 243.395 1.192 20 0 BDADHO COC(=O)CCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404397468 369428118 /nfs/dbraw/zinc/42/81/18/369428118.db2.gz PKUFRTQSBVFXPM-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404397468 369428119 /nfs/dbraw/zinc/42/81/19/369428119.db2.gz PKUFRTQSBVFXPM-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)N1CCCC[C@H]1CN(C)C ZINC000404893378 369439146 /nfs/dbraw/zinc/43/91/46/369439146.db2.gz RVWRELNQMQWJEP-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO OCCNC1CC[NH+](CCCC2CCC2)CC1 ZINC000631861905 369473621 /nfs/dbraw/zinc/47/36/21/369473621.db2.gz JTEJYZYCOCXWAU-UHFFFAOYSA-N 1 3 240.391 1.613 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000459734494 203347563 /nfs/dbraw/zinc/34/75/63/203347563.db2.gz CMJJGXCPQQZYMX-DGAVXFQQSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459734494 203347566 /nfs/dbraw/zinc/34/75/66/203347566.db2.gz CMJJGXCPQQZYMX-DGAVXFQQSA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)NCCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000158608666 326331762 /nfs/dbraw/zinc/33/17/62/326331762.db2.gz ZSPCZZUQFOZIQG-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO CCn1nccc1CC[N@H+](C)C1CCNCC1 ZINC000621774671 370521866 /nfs/dbraw/zinc/52/18/66/370521866.db2.gz ZYGASAHWAWACSO-UHFFFAOYSA-N 1 3 236.363 1.129 20 0 BDADHO CCn1nccc1CC[N@@H+](C)C1CCNCC1 ZINC000621774671 370521870 /nfs/dbraw/zinc/52/18/70/370521870.db2.gz ZYGASAHWAWACSO-UHFFFAOYSA-N 1 3 236.363 1.129 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621782697 370532675 /nfs/dbraw/zinc/53/26/75/370532675.db2.gz RPVDZYMWOROMIS-CHWSQXEVSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621782697 370532680 /nfs/dbraw/zinc/53/26/80/370532680.db2.gz RPVDZYMWOROMIS-CHWSQXEVSA-N 1 3 226.364 1.615 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000624122012 371323112 /nfs/dbraw/zinc/32/31/12/371323112.db2.gz ICDZMPQIUZSIAB-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCO[C@H]1C ZINC000631822169 372599203 /nfs/dbraw/zinc/59/92/03/372599203.db2.gz UZFHFARMNHNHIY-RWMBFGLXSA-N 1 3 228.380 1.717 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000631827673 372607394 /nfs/dbraw/zinc/60/73/94/372607394.db2.gz UHOLKMFNFISUIP-MJBXVCDLSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000631830532 372612560 /nfs/dbraw/zinc/61/25/60/372612560.db2.gz UZRMBZNSXJWZLB-QNWHQSFQSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000631830533 372612696 /nfs/dbraw/zinc/61/26/96/372612696.db2.gz UZRMBZNSXJWZLB-RNJOBUHISA-N 1 3 224.348 1.225 20 0 BDADHO N[C@H]1CCCCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000631834695 372620400 /nfs/dbraw/zinc/62/04/00/372620400.db2.gz DEXKVVSEUQDOAF-STQMWFEESA-N 1 3 226.364 1.759 20 0 BDADHO N[C@H]1CCCCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000631834695 372620408 /nfs/dbraw/zinc/62/04/08/372620408.db2.gz DEXKVVSEUQDOAF-STQMWFEESA-N 1 3 226.364 1.759 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837789 372630075 /nfs/dbraw/zinc/63/00/75/372630075.db2.gz FMFIYEACABBTIO-DGCLKSJQSA-N 1 3 236.363 1.108 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837789 372630079 /nfs/dbraw/zinc/63/00/79/372630079.db2.gz FMFIYEACABBTIO-DGCLKSJQSA-N 1 3 236.363 1.108 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H](N)C[C@H]1C ZINC000631860856 372661357 /nfs/dbraw/zinc/66/13/57/372661357.db2.gz QUDVHJQVZRECRW-ZYHUDNBSSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H](N)C[C@H]1C ZINC000631860856 372661364 /nfs/dbraw/zinc/66/13/64/372661364.db2.gz QUDVHJQVZRECRW-ZYHUDNBSSA-N 1 3 222.336 1.003 20 0 BDADHO C([NH2+][C@]12CCC[C@@H]1CNC2)C1CCCC1 ZINC000631867017 372668001 /nfs/dbraw/zinc/66/80/01/372668001.db2.gz GTMVTXBFPWHEBM-OLZOCXBDSA-N 1 3 208.349 1.908 20 0 BDADHO C[C@H]1COCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000192129230 205945116 /nfs/dbraw/zinc/94/51/16/205945116.db2.gz PIUIYZIGMLEROC-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC(C)(C)COC)C1 ZINC000426418754 206047775 /nfs/dbraw/zinc/04/77/75/206047775.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426418754 206047780 /nfs/dbraw/zinc/04/77/80/206047780.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 1 3 242.407 1.933 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC(C)(C)COC)C1 ZINC000426418754 206047785 /nfs/dbraw/zinc/04/77/85/206047785.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 1 3 242.407 1.933 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)COC)C1 ZINC000426418754 206047790 /nfs/dbraw/zinc/04/77/90/206047790.db2.gz YBECIZMCHGXEQT-ZDUSSCGKSA-N 1 3 242.407 1.933 20 0 BDADHO C[C@@H]([NH3+])CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000178631507 134312017 /nfs/dbraw/zinc/31/20/17/134312017.db2.gz ZTJCXGSEZDFJGO-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO OCCCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000339414405 183043508 /nfs/dbraw/zinc/04/35/08/183043508.db2.gz XGOUVLYAKINDQB-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO OCCCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000339414405 183043510 /nfs/dbraw/zinc/04/35/10/183043510.db2.gz XGOUVLYAKINDQB-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO OCCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000300245416 183052785 /nfs/dbraw/zinc/05/27/85/183052785.db2.gz XDBIIYXIJGNAKE-BFHYXJOUSA-N 1 3 240.391 1.659 20 0 BDADHO OCCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000300245416 183052787 /nfs/dbraw/zinc/05/27/87/183052787.db2.gz XDBIIYXIJGNAKE-BFHYXJOUSA-N 1 3 240.391 1.659 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336707411 169079440 /nfs/dbraw/zinc/07/94/40/169079440.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336707411 169079442 /nfs/dbraw/zinc/07/94/42/169079442.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336707411 169079443 /nfs/dbraw/zinc/07/94/43/169079443.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336707411 169079444 /nfs/dbraw/zinc/07/94/44/169079444.db2.gz ORXNESXIJPMFSR-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)C1(N)CCCC1 ZINC000226407195 169120390 /nfs/dbraw/zinc/12/03/90/169120390.db2.gz RMXNEGSQFLATKH-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)C1(N)CCCC1 ZINC000226407195 169120392 /nfs/dbraw/zinc/12/03/92/169120392.db2.gz RMXNEGSQFLATKH-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCC[N@H+](CCC(=O)OC)C1CCNCC1 ZINC000037469636 169139527 /nfs/dbraw/zinc/13/95/27/169139527.db2.gz OPQWIHZNZOULSD-UHFFFAOYSA-N 1 3 228.336 1.014 20 0 BDADHO CCC[N@@H+](CCC(=O)OC)C1CCNCC1 ZINC000037469636 169139529 /nfs/dbraw/zinc/13/95/29/169139529.db2.gz OPQWIHZNZOULSD-UHFFFAOYSA-N 1 3 228.336 1.014 20 0 BDADHO CCCN(CCC(=O)OC)C1CC[NH2+]CC1 ZINC000037469636 169139530 /nfs/dbraw/zinc/13/95/30/169139530.db2.gz OPQWIHZNZOULSD-UHFFFAOYSA-N 1 3 228.336 1.014 20 0 BDADHO CCC[NH+]1CCC(N[C@H](C)COCC)CC1 ZINC000044688352 169189920 /nfs/dbraw/zinc/18/99/20/169189920.db2.gz BUBKEEBPLMAWAL-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO c1c[nH]c([C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000336495841 183327996 /nfs/dbraw/zinc/32/79/96/183327996.db2.gz NXTMTGNPGYLGME-OLZOCXBDSA-N 1 3 248.374 1.589 20 0 BDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CCN(C)C ZINC000354484158 169398179 /nfs/dbraw/zinc/39/81/79/169398179.db2.gz CMQHCYZFFIWMES-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO O[C@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252733221 383821451 /nfs/dbraw/zinc/82/14/51/383821451.db2.gz YKQGSUPOBNAGAZ-XUXIUFHCSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252733221 383821461 /nfs/dbraw/zinc/82/14/61/383821461.db2.gz YKQGSUPOBNAGAZ-XUXIUFHCSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252733221 383821469 /nfs/dbraw/zinc/82/14/69/383821469.db2.gz YKQGSUPOBNAGAZ-XUXIUFHCSA-N 1 3 238.375 1.506 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000301010911 383842356 /nfs/dbraw/zinc/84/23/56/383842356.db2.gz XPLAAMRJRCCAAI-WDEREUQCSA-N 1 3 232.318 1.963 20 0 BDADHO Cc1ccsc1CN1CC[C@@H](C[NH3+])C1 ZINC000050245292 383986640 /nfs/dbraw/zinc/98/66/40/383986640.db2.gz RVCCJDBXWCCRCM-JTQLQIEISA-N 1 3 210.346 1.837 20 0 BDADHO C[NH+]1CCC(CCN[C@@H]2CCn3ccnc32)CC1 ZINC000345351994 383947912 /nfs/dbraw/zinc/94/79/12/383947912.db2.gz PJZUEEBQRHIVJO-CYBMUJFWSA-N 1 3 248.374 1.649 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)C1CC1 ZINC000643545994 384015258 /nfs/dbraw/zinc/01/52/58/384015258.db2.gz GTZXCRNAFWPMGY-QWHCGFSZSA-N 1 3 238.375 1.676 20 0 BDADHO COC[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000643545994 384015259 /nfs/dbraw/zinc/01/52/59/384015259.db2.gz GTZXCRNAFWPMGY-QWHCGFSZSA-N 1 3 238.375 1.676 20 0 BDADHO CO[C@H](CC(C)C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000642680557 384041743 /nfs/dbraw/zinc/04/17/43/384041743.db2.gz ZCHRIMQSPJKDJY-JHJVBQTASA-N 1 3 226.364 1.199 20 0 BDADHO Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000235953391 384075857 /nfs/dbraw/zinc/07/58/57/384075857.db2.gz NBDANIIJACYZSB-CHWSQXEVSA-N 1 3 236.363 1.299 20 0 BDADHO Cc1cnn(CCN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000235953391 384075859 /nfs/dbraw/zinc/07/58/59/384075859.db2.gz NBDANIIJACYZSB-CHWSQXEVSA-N 1 3 236.363 1.299 20 0 BDADHO C([C@@H]1CCCNC1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000133344473 384246359 /nfs/dbraw/zinc/24/63/59/384246359.db2.gz WITPJCBORFEEBZ-JHJVBQTASA-N 1 3 208.349 1.718 20 0 BDADHO COC[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000173792053 384261679 /nfs/dbraw/zinc/26/16/79/384261679.db2.gz VTMUJJHESIKAFA-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO COC[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173792053 384261682 /nfs/dbraw/zinc/26/16/82/384261682.db2.gz VTMUJJHESIKAFA-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000332469090 384314030 /nfs/dbraw/zinc/31/40/30/384314030.db2.gz MPLCQGHZNFPEMD-NWDGAFQWSA-N 1 3 226.364 1.399 20 0 BDADHO NC[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357066 384279500 /nfs/dbraw/zinc/27/95/00/384279500.db2.gz SUVQLGVAMIOWQA-WDEREUQCSA-N 1 3 248.317 1.471 20 0 BDADHO NC[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357066 384279506 /nfs/dbraw/zinc/27/95/06/384279506.db2.gz SUVQLGVAMIOWQA-WDEREUQCSA-N 1 3 248.317 1.471 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000401929014 384296431 /nfs/dbraw/zinc/29/64/31/384296431.db2.gz UKEQGLKUWSKKOH-PWSUYJOCSA-N 1 3 210.321 1.015 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000566416518 384412796 /nfs/dbraw/zinc/41/27/96/384412796.db2.gz MOIAQALPSUWGED-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000566416518 384412802 /nfs/dbraw/zinc/41/28/02/384412802.db2.gz MOIAQALPSUWGED-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO COC[C@@H](NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000397244990 384419952 /nfs/dbraw/zinc/41/99/52/384419952.db2.gz NHDQZMPLZGMIJT-ZYHUDNBSSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000397244990 384419955 /nfs/dbraw/zinc/41/99/55/384419955.db2.gz NHDQZMPLZGMIJT-ZYHUDNBSSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cn[nH]c1 ZINC000305972629 384451442 /nfs/dbraw/zinc/45/14/42/384451442.db2.gz QCROLWFFRFJQQL-GHMZBOCLSA-N 1 3 234.347 1.545 20 0 BDADHO CC(C)(C)CN(CCO)C[C@@H]1CCC[NH2+]C1 ZINC000647515761 384457967 /nfs/dbraw/zinc/45/79/67/384457967.db2.gz KQKNLXKPMNTZNA-GFCCVEGCSA-N 1 3 228.380 1.326 20 0 BDADHO CC(C)(C)C[N@H+](CCO)C[C@@H]1CCCNC1 ZINC000647515761 384457969 /nfs/dbraw/zinc/45/79/69/384457969.db2.gz KQKNLXKPMNTZNA-GFCCVEGCSA-N 1 3 228.380 1.326 20 0 BDADHO CC(C)(C)C[N@@H+](CCO)C[C@@H]1CCCNC1 ZINC000647515761 384457972 /nfs/dbraw/zinc/45/79/72/384457972.db2.gz KQKNLXKPMNTZNA-GFCCVEGCSA-N 1 3 228.380 1.326 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335660323 384462666 /nfs/dbraw/zinc/46/26/66/384462666.db2.gz CRDMLIOEUPJRPY-PWSUYJOCSA-N 1 3 226.389 1.589 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000648146247 384469590 /nfs/dbraw/zinc/46/95/90/384469590.db2.gz DPWKGPKETONNEN-NSHDSACASA-N 1 3 221.304 1.082 20 0 BDADHO [NH3+]C[C@H]1CCCN1C[C@@H]1CCSC1 ZINC000224621336 384480434 /nfs/dbraw/zinc/48/04/34/384480434.db2.gz GRVPJQXRTHZVOF-VHSXEESVSA-N 1 3 200.351 1.163 20 0 BDADHO CCOCCN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175726766 384482763 /nfs/dbraw/zinc/48/27/63/384482763.db2.gz HNOYXUSXEGZNQP-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CCOCCN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175726766 384482769 /nfs/dbraw/zinc/48/27/69/384482769.db2.gz HNOYXUSXEGZNQP-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150959512 384527125 /nfs/dbraw/zinc/52/71/25/384527125.db2.gz SNAPLJRSCBJPJL-ZDUSSCGKSA-N 1 3 241.423 1.647 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000172166447 384540654 /nfs/dbraw/zinc/54/06/54/384540654.db2.gz CAAOYKMJSAAWCH-AWEZNQCLSA-N 1 3 233.359 1.508 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCc2cccnc2)C1 ZINC000172166447 384540663 /nfs/dbraw/zinc/54/06/63/384540663.db2.gz CAAOYKMJSAAWCH-AWEZNQCLSA-N 1 3 233.359 1.508 20 0 BDADHO CCC[C@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036873364 384626943 /nfs/dbraw/zinc/62/69/43/384626943.db2.gz JFJZZVVERVSXEW-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO CCCCN(CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000309816914 384635584 /nfs/dbraw/zinc/63/55/84/384635584.db2.gz BLITVCKTMFPDTF-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CN(CCC[NH3+])CCc1ccc(F)cc1 ZINC000049814796 384642811 /nfs/dbraw/zinc/64/28/11/384642811.db2.gz LRENSVHSELUDRD-UHFFFAOYSA-N 1 3 210.296 1.649 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC12CCC2 ZINC000309836327 384650306 /nfs/dbraw/zinc/65/03/06/384650306.db2.gz BENXHTIUBMTAAF-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000309618121 384656501 /nfs/dbraw/zinc/65/65/01/384656501.db2.gz DKAAFKKSGSMBMQ-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309618121 384656508 /nfs/dbraw/zinc/65/65/08/384656508.db2.gz DKAAFKKSGSMBMQ-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000300396567 384752285 /nfs/dbraw/zinc/75/22/85/384752285.db2.gz FJHAHZZJRYMPKO-FIQHERPVSA-N 1 3 246.420 1.206 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000300396567 384752290 /nfs/dbraw/zinc/75/22/90/384752290.db2.gz FJHAHZZJRYMPKO-FIQHERPVSA-N 1 3 246.420 1.206 20 0 BDADHO [NH3+]CCOCCN1CCC[C@@H]1c1ccccn1 ZINC000565661568 384765646 /nfs/dbraw/zinc/76/56/46/384765646.db2.gz ULCAJRNTBBYWQY-CYBMUJFWSA-N 1 3 235.331 1.194 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000126914987 384828655 /nfs/dbraw/zinc/82/86/55/384828655.db2.gz BXRHWIHVIRVCFW-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@@H]1CCCO1 ZINC000126914987 384828659 /nfs/dbraw/zinc/82/86/59/384828659.db2.gz BXRHWIHVIRVCFW-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398184697 384835596 /nfs/dbraw/zinc/83/55/96/384835596.db2.gz ILEDWMWURYAKEZ-NFAWXSAZSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398184697 384835599 /nfs/dbraw/zinc/83/55/99/384835599.db2.gz ILEDWMWURYAKEZ-NFAWXSAZSA-N 1 3 247.386 1.586 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000308558513 384805625 /nfs/dbraw/zinc/80/56/25/384805625.db2.gz CRYLTDSEBFSGST-HBNTYKKESA-N 1 3 202.342 1.197 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCC[NH2+]CC2)O1 ZINC000398107443 384808691 /nfs/dbraw/zinc/80/86/91/384808691.db2.gz AHZUEXCNMGWYCV-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO COc1ccc(CCNCC(C)(C)[NH3+])cc1F ZINC000258883906 384944085 /nfs/dbraw/zinc/94/40/85/384944085.db2.gz QMHLSTVCDJYACU-UHFFFAOYSA-N 1 3 240.322 1.704 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc2c(c1)CCO2 ZINC000258895426 384945433 /nfs/dbraw/zinc/94/54/33/384945433.db2.gz HHEQSMHMZIEOKZ-UONOGXRCSA-N 1 3 246.354 1.633 20 0 BDADHO c1cncc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127951795 384966791 /nfs/dbraw/zinc/96/67/91/384966791.db2.gz NNGFNXBMGMWBOO-HUUCEWRRSA-N 1 3 245.370 1.841 20 0 BDADHO c1cncc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127951795 384966798 /nfs/dbraw/zinc/96/67/98/384966798.db2.gz NNGFNXBMGMWBOO-HUUCEWRRSA-N 1 3 245.370 1.841 20 0 BDADHO Cc1nc(CCNC[C@@H]2CCC[NH2+]C2)cs1 ZINC000226316259 384970910 /nfs/dbraw/zinc/97/09/10/384970910.db2.gz UENRLMXKDJVKFY-LLVKDONJSA-N 1 3 239.388 1.583 20 0 BDADHO Cc1nc(CC[NH2+]C[C@@H]2CCCNC2)cs1 ZINC000226316259 384970919 /nfs/dbraw/zinc/97/09/19/384970919.db2.gz UENRLMXKDJVKFY-LLVKDONJSA-N 1 3 239.388 1.583 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000518360347 384975992 /nfs/dbraw/zinc/97/59/92/384975992.db2.gz VOTNWWAODCMYJH-KGLIPLIRSA-N 1 3 240.391 1.910 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOCC1CCC1 ZINC000518360347 384975998 /nfs/dbraw/zinc/97/59/98/384975998.db2.gz VOTNWWAODCMYJH-KGLIPLIRSA-N 1 3 240.391 1.910 20 0 BDADHO CO[C@H](C)C[N@H+](C[C@@H]1CCCNC1)C(C)C ZINC000226438853 385022978 /nfs/dbraw/zinc/02/29/78/385022978.db2.gz PCZDBOYFENGHLZ-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)C[N@@H+](C[C@@H]1CCCNC1)C(C)C ZINC000226438853 385022983 /nfs/dbraw/zinc/02/29/83/385022983.db2.gz PCZDBOYFENGHLZ-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)CN(C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000226438853 385022986 /nfs/dbraw/zinc/02/29/86/385022986.db2.gz PCZDBOYFENGHLZ-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCc1ccccc1 ZINC000404789853 385061595 /nfs/dbraw/zinc/06/15/95/385061595.db2.gz QVDRLMAACBDANJ-STQMWFEESA-N 1 3 218.344 1.945 20 0 BDADHO CC(C)(O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000087010689 385064090 /nfs/dbraw/zinc/06/40/90/385064090.db2.gz YGRXYAYSBKXASA-UHFFFAOYSA-N 1 3 249.358 1.411 20 0 BDADHO COc1ccc(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000404803006 385078367 /nfs/dbraw/zinc/07/83/67/385078367.db2.gz WELZOJUWURKQOH-KGLIPLIRSA-N 1 3 248.370 1.953 20 0 BDADHO C[C@H]1C[C@@H](NCC(C)(C)C[NH+]2CCCC2)CO1 ZINC000647206350 385026809 /nfs/dbraw/zinc/02/68/09/385026809.db2.gz PSRFCCHJSYWWHR-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CN2CCCC2)CO1 ZINC000647206350 385026811 /nfs/dbraw/zinc/02/68/11/385026811.db2.gz PSRFCCHJSYWWHR-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[NH+]1CCC(NCC[C@H](O)CC)CC1 ZINC000157364177 385150895 /nfs/dbraw/zinc/15/08/95/385150895.db2.gz ZQNBGOLXKIYLRF-CYBMUJFWSA-N 1 3 228.380 1.611 20 0 BDADHO C([C@H]1CCSC1)[N@H+](C1CC1)C1CCNCC1 ZINC000647482658 385212055 /nfs/dbraw/zinc/21/20/55/385212055.db2.gz WMDHWVPFABQADT-LLVKDONJSA-N 1 3 240.416 1.956 20 0 BDADHO C([C@H]1CCSC1)[N@@H+](C1CC1)C1CCNCC1 ZINC000647482658 385212065 /nfs/dbraw/zinc/21/20/65/385212065.db2.gz WMDHWVPFABQADT-LLVKDONJSA-N 1 3 240.416 1.956 20 0 BDADHO C([C@H]1CCSC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000647482658 385212073 /nfs/dbraw/zinc/21/20/73/385212073.db2.gz WMDHWVPFABQADT-LLVKDONJSA-N 1 3 240.416 1.956 20 0 BDADHO CC[C@@H]1CN(CC(C)(C)COC)CC[C@@H]1[NH3+] ZINC000647497866 385408623 /nfs/dbraw/zinc/40/86/23/385408623.db2.gz YLSMGJYOPYQVMY-NEPJUHHUSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@@H]1C[N@H+](CC(C)(C)COC)CC[C@@H]1N ZINC000647497866 385408625 /nfs/dbraw/zinc/40/86/25/385408625.db2.gz YLSMGJYOPYQVMY-NEPJUHHUSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@@H]1C[N@@H+](CC(C)(C)COC)CC[C@@H]1N ZINC000647497866 385408629 /nfs/dbraw/zinc/40/86/29/385408629.db2.gz YLSMGJYOPYQVMY-NEPJUHHUSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000644072849 385419428 /nfs/dbraw/zinc/41/94/28/385419428.db2.gz KCFJNPHOBMKFAM-CABZTGNLSA-N 1 3 247.342 1.643 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000156176869 385439776 /nfs/dbraw/zinc/43/97/76/385439776.db2.gz AAPWCFGKKRMBMA-HNNXBMFYSA-N 1 3 248.370 1.562 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000156176869 385439780 /nfs/dbraw/zinc/43/97/80/385439780.db2.gz AAPWCFGKKRMBMA-HNNXBMFYSA-N 1 3 248.370 1.562 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182215690 385433925 /nfs/dbraw/zinc/43/39/25/385433925.db2.gz SHSOXAKXSQBCLE-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182215690 385433930 /nfs/dbraw/zinc/43/39/30/385433930.db2.gz SHSOXAKXSQBCLE-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO CC(C)CCC[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336720473 385468303 /nfs/dbraw/zinc/46/83/03/385468303.db2.gz WQXLTGUSDYCLIH-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)CCC[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336720473 385468306 /nfs/dbraw/zinc/46/83/06/385468306.db2.gz WQXLTGUSDYCLIH-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000309354282 385546509 /nfs/dbraw/zinc/54/65/09/385546509.db2.gz NTFXIMITUYGZCR-RISCZKNCSA-N 1 3 218.344 1.728 20 0 BDADHO C[C@@H](O)CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000309409198 385572738 /nfs/dbraw/zinc/57/27/38/385572738.db2.gz WJTIXTVFACKOHE-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](O)CCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000309409198 385572739 /nfs/dbraw/zinc/57/27/39/385572739.db2.gz WJTIXTVFACKOHE-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](CCC1CC1)[NH2+]CCOCCN(C)C ZINC000309572901 385703490 /nfs/dbraw/zinc/70/34/90/385703490.db2.gz OCJOELWNGWCNJC-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccn(C)n1 ZINC000647799762 385801817 /nfs/dbraw/zinc/80/18/17/385801817.db2.gz QDFCBAAQPXBKOB-UMSGYPCISA-N 1 3 248.374 1.459 20 0 BDADHO C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000414867948 385808181 /nfs/dbraw/zinc/80/81/81/385808181.db2.gz GWADUQOHISSVEP-XQQFMLRXSA-N 1 3 208.349 1.907 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414946658 385808885 /nfs/dbraw/zinc/80/88/85/385808885.db2.gz UQBUCIXKCRSAKJ-FRRDWIJNSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000414946658 385808888 /nfs/dbraw/zinc/80/88/88/385808888.db2.gz UQBUCIXKCRSAKJ-FRRDWIJNSA-N 1 3 228.380 1.635 20 0 BDADHO C[C@@H](C[NH3+])CNCc1c[nH]nc1-c1ccccc1 ZINC000414869594 385836849 /nfs/dbraw/zinc/83/68/49/385836849.db2.gz ASDWEOYFYAENNO-NSHDSACASA-N 1 3 244.342 1.761 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc2c[nH]nc2c1 ZINC000414871133 385854324 /nfs/dbraw/zinc/85/43/24/385854324.db2.gz DAIRISIRXAKKMS-SECBINFHSA-N 1 3 218.304 1.247 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000336706845 385793930 /nfs/dbraw/zinc/79/39/30/385793930.db2.gz ROIXCXGSXWIGTA-UTUOFQBUSA-N 1 3 214.353 1.341 20 0 BDADHO CCCC[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236757622 259677673 /nfs/dbraw/zinc/67/76/73/259677673.db2.gz UZRZHTTYYIYDDD-NEPJUHHUSA-N 1 3 243.395 1.336 20 0 BDADHO Cc1nc2ccccn2c1CNC[C@@H](C)C[NH3+] ZINC000414877328 385921638 /nfs/dbraw/zinc/92/16/38/385921638.db2.gz MKTDXSNHFLHSKR-JTQLQIEISA-N 1 3 232.331 1.327 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035027 385922959 /nfs/dbraw/zinc/92/29/59/385922959.db2.gz RUKDZSVCYSNGJO-UONOGXRCSA-N 1 3 232.327 1.686 20 0 BDADHO FC(F)COCC[N@H+](C1CC1)C1CCNCC1 ZINC000647815076 385869430 /nfs/dbraw/zinc/86/94/30/385869430.db2.gz OCGBEMAKXDNAEJ-UHFFFAOYSA-N 1 3 248.317 1.485 20 0 BDADHO FC(F)COCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647815076 385869433 /nfs/dbraw/zinc/86/94/33/385869433.db2.gz OCGBEMAKXDNAEJ-UHFFFAOYSA-N 1 3 248.317 1.485 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CC[C@@H](C)O1 ZINC000308989642 385927945 /nfs/dbraw/zinc/92/79/45/385927945.db2.gz VOBYBMCPNLDTED-UTUOFQBUSA-N 1 3 214.353 1.517 20 0 BDADHO COc1ccc(C[NH2+]CC2(N)CCC2)cc1 ZINC000414873892 385879230 /nfs/dbraw/zinc/87/92/30/385879230.db2.gz AEFCJKCCXCXZSS-UHFFFAOYSA-N 1 3 220.316 1.666 20 0 BDADHO CC(C)([NH3+])CCC(=O)NC[C@H](N)c1ccccc1 ZINC000647767384 385882409 /nfs/dbraw/zinc/88/24/09/385882409.db2.gz HLLOFFFVIUDMNN-LBPRGKRZSA-N 1 3 249.358 1.320 20 0 BDADHO C[C@H]1C[N@H+](CCCN2CCCCC2)CC[C@@H]1O ZINC000189244773 385976522 /nfs/dbraw/zinc/97/65/22/385976522.db2.gz BNUSZNCXPSGADQ-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1C[N@@H+](CCCN2CCCCC2)CC[C@@H]1O ZINC000189244773 385976528 /nfs/dbraw/zinc/97/65/28/385976528.db2.gz BNUSZNCXPSGADQ-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCNC1 ZINC000335019551 385978451 /nfs/dbraw/zinc/97/84/51/385978451.db2.gz PXNXXJWKVICCLG-NWDGAFQWSA-N 1 3 208.349 1.908 20 0 BDADHO C[NH+](C)C1CN(c2ccnc3ccccc32)C1 ZINC000273213367 385979575 /nfs/dbraw/zinc/97/95/75/385979575.db2.gz GXYJYNLXIGHPHH-UHFFFAOYSA-N 1 3 227.311 1.985 20 0 BDADHO C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2)C1 ZINC000414881374 385991347 /nfs/dbraw/zinc/99/13/47/385991347.db2.gz KYOBMOLBSDIICD-AGIUHOORSA-N 1 3 208.349 1.907 20 0 BDADHO OC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000335040274 385933778 /nfs/dbraw/zinc/93/37/78/385933778.db2.gz DSGDERZCZORIGW-FUNVUKJBSA-N 1 3 238.375 1.554 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)CN)C2 ZINC000414878664 385940212 /nfs/dbraw/zinc/94/02/12/385940212.db2.gz OOVVYPCNUJSKCJ-DGCLKSJQSA-N 1 3 248.370 1.737 20 0 BDADHO Cc1cc(CNCCCC[NH+](C)C)on1 ZINC000309038508 385941027 /nfs/dbraw/zinc/94/10/27/385941027.db2.gz IBBUYLBBDPVVCP-UHFFFAOYSA-N 1 3 211.309 1.414 20 0 BDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000295002673 385942233 /nfs/dbraw/zinc/94/22/33/385942233.db2.gz IIBDYMZBUXIKPR-JTQLQIEISA-N 1 3 247.342 1.398 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000338304736 385951574 /nfs/dbraw/zinc/95/15/74/385951574.db2.gz HKSZJMHPXDWCAF-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000338304736 385951584 /nfs/dbraw/zinc/95/15/84/385951584.db2.gz HKSZJMHPXDWCAF-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251469830 385954553 /nfs/dbraw/zinc/95/45/53/385954553.db2.gz DMQJQCHNVTZWIZ-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251469830 385954562 /nfs/dbraw/zinc/95/45/62/385954562.db2.gz DMQJQCHNVTZWIZ-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000251469830 385954568 /nfs/dbraw/zinc/95/45/68/385954568.db2.gz DMQJQCHNVTZWIZ-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO CC[NH+](CC)CCCN(C[C@@H](C)O)C(C)C ZINC000338308814 385956474 /nfs/dbraw/zinc/95/64/74/385956474.db2.gz SREQKTCPVIMDFN-CYBMUJFWSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@H+](C[C@@H](C)O)C(C)C ZINC000338308814 385956479 /nfs/dbraw/zinc/95/64/79/385956479.db2.gz SREQKTCPVIMDFN-CYBMUJFWSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@@H+](C[C@@H](C)O)C(C)C ZINC000338308814 385956483 /nfs/dbraw/zinc/95/64/83/385956483.db2.gz SREQKTCPVIMDFN-CYBMUJFWSA-N 1 3 230.396 1.810 20 0 BDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000345316695 386103692 /nfs/dbraw/zinc/10/36/92/386103692.db2.gz ARMXJIPBZMTSTQ-QWRGUYRKSA-N 1 3 243.395 1.219 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H]1CCc2ccc(OC)cc2C1 ZINC000414986857 386113154 /nfs/dbraw/zinc/11/31/54/386113154.db2.gz JQXDLIKDHKELNA-KGLIPLIRSA-N 1 3 248.370 1.879 20 0 BDADHO COc1ccccc1/C=C\CNC[C@H](C)C[NH3+] ZINC000414885503 386060575 /nfs/dbraw/zinc/06/05/75/386060575.db2.gz XAKSFIKUFWLKTI-SMYYYNMVSA-N 1 3 234.343 1.893 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336753530 386063087 /nfs/dbraw/zinc/06/30/87/386063087.db2.gz GXPPLVZSPYUQFS-GHMZBOCLSA-N 1 3 212.337 1.261 20 0 BDADHO CO[C@@H](C[N@H+](C)CCCN1CCCC1)C1CC1 ZINC000425443005 386076687 /nfs/dbraw/zinc/07/66/87/386076687.db2.gz LAJGGJXFJYFOOF-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H](C[N@@H+](C)CCCN1CCCC1)C1CC1 ZINC000425443005 386076691 /nfs/dbraw/zinc/07/66/91/386076691.db2.gz LAJGGJXFJYFOOF-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCC2OCCO2)CC1 ZINC000365407309 386079881 /nfs/dbraw/zinc/07/98/81/386079881.db2.gz ZOPBMJUBVNKQCW-GFCCVEGCSA-N 1 3 242.363 1.166 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000365407309 386079886 /nfs/dbraw/zinc/07/98/86/386079886.db2.gz ZOPBMJUBVNKQCW-GFCCVEGCSA-N 1 3 242.363 1.166 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000365407309 386079892 /nfs/dbraw/zinc/07/98/92/386079892.db2.gz ZOPBMJUBVNKQCW-GFCCVEGCSA-N 1 3 242.363 1.166 20 0 BDADHO CCOc1cccc(CN[C@@H](C)CC[NH3+])c1 ZINC000414886922 386087108 /nfs/dbraw/zinc/08/71/08/386087108.db2.gz QDLCBFIIZZZJLT-NSHDSACASA-N 1 3 222.332 1.912 20 0 BDADHO Cc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)on1 ZINC000335280506 386153809 /nfs/dbraw/zinc/15/38/09/386153809.db2.gz UAPSTIMSMWDNHX-LBPRGKRZSA-N 1 3 249.358 1.947 20 0 BDADHO CCCCC[N@H+](CCO)C[C@H](N)CC(C)C ZINC000414677766 386156725 /nfs/dbraw/zinc/15/67/25/386156725.db2.gz JOTQOHWPOVPLTM-CYBMUJFWSA-N 1 3 230.396 1.844 20 0 BDADHO CCCCC[N@@H+](CCO)C[C@H](N)CC(C)C ZINC000414677766 386156729 /nfs/dbraw/zinc/15/67/29/386156729.db2.gz JOTQOHWPOVPLTM-CYBMUJFWSA-N 1 3 230.396 1.844 20 0 BDADHO CC[C@@H](C(=O)NCC[N@H+](C)CC)N(CC)CC ZINC000346131650 386162717 /nfs/dbraw/zinc/16/27/17/386162717.db2.gz PGWBQDYXWCMTOZ-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@@H](C(=O)NCC[N@@H+](C)CC)N(CC)CC ZINC000346131650 386162720 /nfs/dbraw/zinc/16/27/20/386162720.db2.gz PGWBQDYXWCMTOZ-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO Cc1ccc(CCC[NH2+][C@@H](C)CCN)cn1 ZINC000414894405 386173112 /nfs/dbraw/zinc/17/31/12/386173112.db2.gz LHXWRLMPXPBKJN-LBPRGKRZSA-N 1 3 221.348 1.650 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414890418 386126118 /nfs/dbraw/zinc/12/61/18/386126118.db2.gz HHOFCHJDBKVKGO-AWEZNQCLSA-N 1 3 247.342 1.472 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC000414700960 386201877 /nfs/dbraw/zinc/20/18/77/386201877.db2.gz KJOHRLCGKPNLHE-DYEKYZERSA-N 1 3 238.375 1.485 20 0 BDADHO CCO[C@H]1C[C@H]([N@H+](C)CCCN)C1(C)C ZINC000414697223 386202631 /nfs/dbraw/zinc/20/26/31/386202631.db2.gz IGYCNKWIUHCCRJ-QWRGUYRKSA-N 1 3 214.353 1.471 20 0 BDADHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN)C1(C)C ZINC000414697223 386202632 /nfs/dbraw/zinc/20/26/32/386202632.db2.gz IGYCNKWIUHCCRJ-QWRGUYRKSA-N 1 3 214.353 1.471 20 0 BDADHO Cc1nccn1C[C@H]1CCCN1CC(C)(C)[NH3+] ZINC000346978300 386205252 /nfs/dbraw/zinc/20/52/52/386205252.db2.gz LBXBUDKLGHTXPL-GFCCVEGCSA-N 1 3 236.363 1.393 20 0 BDADHO Cc1nccn1C[C@H]1CCC[N@@H+]1CC(C)(C)N ZINC000346978300 386205257 /nfs/dbraw/zinc/20/52/57/386205257.db2.gz LBXBUDKLGHTXPL-GFCCVEGCSA-N 1 3 236.363 1.393 20 0 BDADHO Cc1nccn1C[C@H]1CCC[N@H+]1CC(C)(C)N ZINC000346978300 386205264 /nfs/dbraw/zinc/20/52/64/386205264.db2.gz LBXBUDKLGHTXPL-GFCCVEGCSA-N 1 3 236.363 1.393 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)C[C@H]1C(C)C ZINC000414712230 386229103 /nfs/dbraw/zinc/22/91/03/386229103.db2.gz NLWURXDSBDBKEV-KGLIPLIRSA-N 1 3 241.423 1.632 20 0 BDADHO CCn1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cn1 ZINC000415001068 386230560 /nfs/dbraw/zinc/23/05/60/386230560.db2.gz BZYRIMYINADPQF-UONOGXRCSA-N 1 3 248.374 1.381 20 0 BDADHO CN(CCC[NH3+])[C@@H]1CCCN(c2ccccc2)C1 ZINC000414714493 386232757 /nfs/dbraw/zinc/23/27/57/386232757.db2.gz VTTFUQHIAZINMQ-OAHLLOKOSA-N 1 3 247.386 1.936 20 0 BDADHO C[C@@H](CC1CCOCC1)CN1CCC[C@@H]1C[NH3+] ZINC000347084838 386241421 /nfs/dbraw/zinc/24/14/21/386241421.db2.gz CIOOPEKCAFZMLK-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H](CC1CCOCC1)CN1CCC[C@H]1C[NH3+] ZINC000347084861 386242626 /nfs/dbraw/zinc/24/26/26/386242626.db2.gz CIOOPEKCAFZMLK-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336645522 386251299 /nfs/dbraw/zinc/25/12/99/386251299.db2.gz IBWQEJSMLWCNPN-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336645522 386251302 /nfs/dbraw/zinc/25/13/02/386251302.db2.gz IBWQEJSMLWCNPN-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)COC1 ZINC000393959538 386258690 /nfs/dbraw/zinc/25/86/90/386258690.db2.gz BESVJSFVJQOXSD-NEPJUHHUSA-N 1 3 226.364 1.520 20 0 BDADHO CO[C@](C)(C[NH2+]CCCN1CCCC1)C1CC1 ZINC000310531843 386196036 /nfs/dbraw/zinc/19/60/36/386196036.db2.gz ODYOZHKNTOHHOJ-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@](C)(CNCCC[NH+]1CCCC1)C1CC1 ZINC000310531843 386196040 /nfs/dbraw/zinc/19/60/40/386196040.db2.gz ODYOZHKNTOHHOJ-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CCN(C)CCN1CC[NH2+]C(C)(C)C ZINC000414696872 386199201 /nfs/dbraw/zinc/19/92/01/386199201.db2.gz QPOIWGSYNLEKBI-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900974 386290226 /nfs/dbraw/zinc/29/02/26/386290226.db2.gz FOUJEODIFJIARY-XQHKEYJVSA-N 1 3 236.359 1.143 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000347297080 386300344 /nfs/dbraw/zinc/30/03/44/386300344.db2.gz GFFBBUPYGARZTA-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000347297080 386300347 /nfs/dbraw/zinc/30/03/47/386300347.db2.gz GFFBBUPYGARZTA-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000347297080 386300351 /nfs/dbraw/zinc/30/03/51/386300351.db2.gz GFFBBUPYGARZTA-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000347297080 386300357 /nfs/dbraw/zinc/30/03/57/386300357.db2.gz GFFBBUPYGARZTA-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CC(C)[C@H]1CN(C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414736993 386305167 /nfs/dbraw/zinc/30/51/67/386305167.db2.gz ICWVVJNBWRWYQD-HZSPNIEDSA-N 1 3 240.391 1.731 20 0 BDADHO CCN1C[C@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414735256 386310287 /nfs/dbraw/zinc/31/02/87/386310287.db2.gz GRFNKPJVHUFEME-STQMWFEESA-N 1 3 241.423 1.789 20 0 BDADHO CC(C)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000335260939 386318992 /nfs/dbraw/zinc/31/89/92/386318992.db2.gz XXCLQTUVRWPKQV-LBPRGKRZSA-N 1 3 226.364 1.330 20 0 BDADHO CC(C)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000335260939 386318998 /nfs/dbraw/zinc/31/89/98/386318998.db2.gz XXCLQTUVRWPKQV-LBPRGKRZSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@H]1CN(CC[NH2+]C(C)(C)C)[C@@H](C)CN1C ZINC000414739146 386321578 /nfs/dbraw/zinc/32/15/78/386321578.db2.gz JYBMTERMIWWGRV-RYUDHWBXSA-N 1 3 227.396 1.399 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN[C@H](CO)C(C)(C)C ZINC000414740865 386322011 /nfs/dbraw/zinc/32/20/11/386322011.db2.gz LTPVTFIAHSONKH-GHMZBOCLSA-N 1 3 216.369 1.356 20 0 BDADHO CCCN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCCCO1 ZINC000647884432 386263519 /nfs/dbraw/zinc/26/35/19/386263519.db2.gz PQXVNODSLGJZMR-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H](C)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000336682273 386341243 /nfs/dbraw/zinc/34/12/43/386341243.db2.gz JIZAJPNDZDJXSE-RYUDHWBXSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@@H](C)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000336682273 386341246 /nfs/dbraw/zinc/34/12/46/386341246.db2.gz JIZAJPNDZDJXSE-RYUDHWBXSA-N 1 3 214.353 1.437 20 0 BDADHO CN(C)CCN(C(=O)CCC[NH3+])c1ccccc1 ZINC000237113306 386358486 /nfs/dbraw/zinc/35/84/86/386358486.db2.gz HRCGKQJYJKLGNR-UHFFFAOYSA-N 1 3 249.358 1.320 20 0 BDADHO CO[C@H](C)C[N@H+](C)CCCN1CCCC1 ZINC000336692034 386361964 /nfs/dbraw/zinc/36/19/64/386361964.db2.gz MXZYOPIQUBNZFW-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CO[C@H](C)C[N@@H+](C)CCCN1CCCC1 ZINC000336692034 386361968 /nfs/dbraw/zinc/36/19/68/386361968.db2.gz MXZYOPIQUBNZFW-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CN(C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347377563 386373263 /nfs/dbraw/zinc/37/32/63/386373263.db2.gz DARINCGXIXLGEQ-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO COC1CC(N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000347379748 386374405 /nfs/dbraw/zinc/37/44/05/386374405.db2.gz WLBUGWBKHQDSMX-DCBWTQNWSA-N 1 3 238.375 1.770 20 0 BDADHO COC1CC(N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000347379748 386374411 /nfs/dbraw/zinc/37/44/11/386374411.db2.gz WLBUGWBKHQDSMX-DCBWTQNWSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H](N)CC(C)C)C[C@H]1O ZINC000414752400 386381419 /nfs/dbraw/zinc/38/14/19/386381419.db2.gz BVJYPYZBPDSHMK-GRYCIOLGSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H](N)CC(C)C)C[C@H]1O ZINC000414752400 386381423 /nfs/dbraw/zinc/38/14/23/386381423.db2.gz BVJYPYZBPDSHMK-GRYCIOLGSA-N 1 3 214.353 1.063 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000336698618 386384396 /nfs/dbraw/zinc/38/43/96/386384396.db2.gz WVSBZASHWCNEOI-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000336698618 386384402 /nfs/dbraw/zinc/38/44/02/386384402.db2.gz WVSBZASHWCNEOI-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3cccnc3)C[C@@H]21 ZINC000230045787 386337227 /nfs/dbraw/zinc/33/72/27/386337227.db2.gz ZEBXEIIFILXLPY-QLFBSQMISA-N 1 3 245.370 1.683 20 0 BDADHO C[C@H]1CC2(CN1Cc1cncn1C)CC[NH2+]CC2 ZINC000335276485 386339089 /nfs/dbraw/zinc/33/90/89/386339089.db2.gz DWFLPMSEEDQMAC-LBPRGKRZSA-N 1 3 248.374 1.384 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1NC[C@@H]1CC[NH2+]C1 ZINC000647992258 386449798 /nfs/dbraw/zinc/44/97/98/386449798.db2.gz YDSSBHHKPOZCPP-MCIONIFRSA-N 1 3 240.391 1.779 20 0 BDADHO CCOC(=O)c1ccc(CNCCCC[NH3+])o1 ZINC000414909505 386410577 /nfs/dbraw/zinc/41/05/77/386410577.db2.gz RJVPALACZZEITH-UHFFFAOYSA-N 1 3 240.303 1.285 20 0 BDADHO Cc1ccc(CCCN2CC[C@H](C[NH3+])C2)cn1 ZINC000339409599 386415383 /nfs/dbraw/zinc/41/53/83/386415383.db2.gz HNPALYLRAXKCSY-CQSZACIVSA-N 1 3 233.359 1.603 20 0 BDADHO Cc1ccc(CCCN2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000339408683 386415584 /nfs/dbraw/zinc/41/55/84/386415584.db2.gz URZQKDOIPLBCKI-ZFWWWQNUSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCCN2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000339408678 386415654 /nfs/dbraw/zinc/41/56/54/386415654.db2.gz URZQKDOIPLBCKI-HIFRSBDPSA-N 1 3 247.386 1.992 20 0 BDADHO CCOC(=O)[C@]1(C(C)C)CCN(CCC[NH3+])C1 ZINC000414763274 386427054 /nfs/dbraw/zinc/42/70/54/386427054.db2.gz XGYBDTOOOCGDBI-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCCN)C1 ZINC000414763274 386427061 /nfs/dbraw/zinc/42/70/61/386427061.db2.gz XGYBDTOOOCGDBI-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCN)C1 ZINC000414763274 386427066 /nfs/dbraw/zinc/42/70/66/386427066.db2.gz XGYBDTOOOCGDBI-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000335365192 386477368 /nfs/dbraw/zinc/47/73/68/386477368.db2.gz ZCSLSGGQAOQCDP-STQMWFEESA-N 1 3 219.332 1.547 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](CNCc2cc[nH]n2)CC1 ZINC000415020020 386509376 /nfs/dbraw/zinc/50/93/76/386509376.db2.gz FVULCWKFGLFVCQ-XYPYZODXSA-N 1 3 222.336 1.264 20 0 BDADHO CCc1nc(CN[C@@H]2CC[C@@H](C[NH3+])C2)cs1 ZINC000415044468 386530004 /nfs/dbraw/zinc/53/00/04/386530004.db2.gz SRPABBULEBVJLW-NXEZZACHSA-N 1 3 239.388 1.923 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415028049 386516638 /nfs/dbraw/zinc/51/66/38/386516638.db2.gz BYBSCXHWPJXKLS-WDEREUQCSA-N 1 3 235.331 1.313 20 0 BDADHO C[C@]1(CN2CCN3CCCC[C@@H]3C2)CC[NH2+]C1 ZINC000094440689 386454005 /nfs/dbraw/zinc/45/40/05/386454005.db2.gz WVLSQKIHKONWAE-KGLIPLIRSA-N 1 3 237.391 1.156 20 0 BDADHO CO[C@]1(C)CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000336725090 386461606 /nfs/dbraw/zinc/46/16/06/386461606.db2.gz MURRWDQKQJOMQJ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@]1(C)CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000336725090 386461608 /nfs/dbraw/zinc/46/16/08/386461608.db2.gz MURRWDQKQJOMQJ-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@@H]1CCCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000415082375 386598265 /nfs/dbraw/zinc/59/82/65/386598265.db2.gz OGBYMPZNOKXDQX-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000415082375 386598274 /nfs/dbraw/zinc/59/82/74/386598274.db2.gz OGBYMPZNOKXDQX-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO C(C[C@@H]1CCOC1)N[C@H]1CCCC[NH2+]C1 ZINC000415076239 386580839 /nfs/dbraw/zinc/58/08/39/386580839.db2.gz RWHFNQODAPUKNF-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@]1(CNCCc2cccs2)CC[NH2+]C1 ZINC000415078147 386586367 /nfs/dbraw/zinc/58/63/67/386586367.db2.gz FPXZKRFHHPYECM-LBPRGKRZSA-N 1 3 224.373 1.880 20 0 BDADHO CC[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000415080941 386590674 /nfs/dbraw/zinc/59/06/74/386590674.db2.gz MLZIIOJBDGXAON-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCCNCC1)[C@H]1CCCO1 ZINC000415080941 386590679 /nfs/dbraw/zinc/59/06/79/386590679.db2.gz MLZIIOJBDGXAON-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CC(C)[C@H](N)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414802281 386593251 /nfs/dbraw/zinc/59/32/51/386593251.db2.gz VKVLAEILFXKVRB-GFCCVEGCSA-N 1 3 232.331 1.636 20 0 BDADHO C[C@@H](NC[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045231 386531984 /nfs/dbraw/zinc/53/19/84/386531984.db2.gz TVBMMNIKWXGACI-ZYHUDNBSSA-N 1 3 212.337 1.143 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000442711729 386535496 /nfs/dbraw/zinc/53/54/96/386535496.db2.gz FLIDJNQCEJQNAH-JQWIXIFHSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)[C@H]1CCCO1 ZINC000415084454 386596736 /nfs/dbraw/zinc/59/67/36/386596736.db2.gz RHWVHLPPMKYCTR-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415084454 386596745 /nfs/dbraw/zinc/59/67/45/386596745.db2.gz RHWVHLPPMKYCTR-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@@H](CN)C1CCCC1 ZINC000415065870 386549357 /nfs/dbraw/zinc/54/93/57/386549357.db2.gz NTNLLVSINSDQEE-STQMWFEESA-N 1 3 227.396 1.467 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H](C)c1ccccc1 ZINC000415069860 386552572 /nfs/dbraw/zinc/55/25/72/386552572.db2.gz XQRYLJLGGCXITH-YXRJLALLSA-N 1 3 230.355 1.986 20 0 BDADHO C[C@H](CCN(C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072571 386563504 /nfs/dbraw/zinc/56/35/04/386563504.db2.gz WUSWUYDDFLREDZ-TZMCWYRMSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@H](CC[N@H+](C)C[C@H](O)CN)c1ccccc1 ZINC000415072571 386563506 /nfs/dbraw/zinc/56/35/06/386563506.db2.gz WUSWUYDDFLREDZ-TZMCWYRMSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@H](CC[N@@H+](C)C[C@H](O)CN)c1ccccc1 ZINC000415072571 386563510 /nfs/dbraw/zinc/56/35/10/386563510.db2.gz WUSWUYDDFLREDZ-TZMCWYRMSA-N 1 3 236.359 1.432 20 0 BDADHO CCN1CCCC[C@H]1C[NH2+]CC(C)(C)N ZINC000415075423 386568558 /nfs/dbraw/zinc/56/85/58/386568558.db2.gz FGZHTTJDSLZFKJ-NSHDSACASA-N 1 3 213.369 1.188 20 0 BDADHO CC[C@@H]([NH2+]C1CCNCC1)[C@@H]1CCCO1 ZINC000415075834 386570009 /nfs/dbraw/zinc/57/00/09/386570009.db2.gz FQMOBQFZUBXMLT-NEPJUHHUSA-N 1 3 212.337 1.286 20 0 BDADHO CC[C@@H](NC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000415075834 386570013 /nfs/dbraw/zinc/57/00/13/386570013.db2.gz FQMOBQFZUBXMLT-NEPJUHHUSA-N 1 3 212.337 1.286 20 0 BDADHO COc1cccc(C[C@H](C)N[C@H](C[NH3+])C2CC2)n1 ZINC000414807128 386619240 /nfs/dbraw/zinc/61/92/40/386619240.db2.gz QWODWAPGKOOUKX-GXFFZTMASA-N 1 3 249.358 1.348 20 0 BDADHO c1ccc2c(c1)CC[C@H](NC[C@@H]1CC[NH2+]C1)CO2 ZINC000335496848 386620828 /nfs/dbraw/zinc/62/08/28/386620828.db2.gz QGBFXDBGARQMLW-OCCSQVGLSA-N 1 3 246.354 1.579 20 0 BDADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497931 386622569 /nfs/dbraw/zinc/62/25/69/386622569.db2.gz AZYAWOANITWPRQ-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000415132760 386640747 /nfs/dbraw/zinc/64/07/47/386640747.db2.gz ULGPPXCKXJKGKV-NWDGAFQWSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000415132760 386640751 /nfs/dbraw/zinc/64/07/51/386640751.db2.gz ULGPPXCKXJKGKV-NWDGAFQWSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415132760 386640754 /nfs/dbraw/zinc/64/07/54/386640754.db2.gz ULGPPXCKXJKGKV-NWDGAFQWSA-N 1 3 228.380 1.576 20 0 BDADHO c1ccc2c(c1)CC([NH2+]C[C@@H]1CCCNC1)C2 ZINC000232459025 386644030 /nfs/dbraw/zinc/64/40/30/386644030.db2.gz NLLDTAGKGRNRBX-GFCCVEGCSA-N 1 3 230.355 1.743 20 0 BDADHO c1ccc2c(c1)CC(NC[C@@H]1CCC[NH2+]C1)C2 ZINC000232459025 386644034 /nfs/dbraw/zinc/64/40/34/386644034.db2.gz NLLDTAGKGRNRBX-GFCCVEGCSA-N 1 3 230.355 1.743 20 0 BDADHO CC(C)([NH3+])CNCCCc1ccc2c(c1)CCO2 ZINC000414803189 386599636 /nfs/dbraw/zinc/59/96/36/386599636.db2.gz LWQKORJKIDBPLT-UHFFFAOYSA-N 1 3 248.370 1.881 20 0 BDADHO c1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)on1 ZINC000647978652 386612356 /nfs/dbraw/zinc/61/23/56/386612356.db2.gz WHAVLIWMDKXFCC-CHWSQXEVSA-N 1 3 249.358 1.886 20 0 BDADHO COc1cccc(C[C@H](C)N[C@@H](C[NH3+])C2CC2)n1 ZINC000414807127 386618498 /nfs/dbraw/zinc/61/84/98/386618498.db2.gz QWODWAPGKOOUKX-GWCFXTLKSA-N 1 3 249.358 1.348 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000425928827 386669207 /nfs/dbraw/zinc/66/92/07/386669207.db2.gz WESTWERXZXOYMY-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO C[N@H+](CCCN1CCCC1)CC[C@H]1CCCO1 ZINC000337240061 386674416 /nfs/dbraw/zinc/67/44/16/386674416.db2.gz GEPJXGGGYZOLBK-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[N@@H+](CCCN1CCCC1)CC[C@H]1CCCO1 ZINC000337240061 386674420 /nfs/dbraw/zinc/67/44/20/386674420.db2.gz GEPJXGGGYZOLBK-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](CC)COC ZINC000414816749 386658845 /nfs/dbraw/zinc/65/88/45/386658845.db2.gz QKMFIXLRIDDQGB-WDEREUQCSA-N 1 3 202.342 1.519 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830847 386711410 /nfs/dbraw/zinc/71/14/10/386711410.db2.gz CMMQJBZXWRIVJE-RHYQMDGZSA-N 1 3 226.364 1.245 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830847 386711418 /nfs/dbraw/zinc/71/14/18/386711418.db2.gz CMMQJBZXWRIVJE-RHYQMDGZSA-N 1 3 226.364 1.245 20 0 BDADHO C[C@]1(CNC[C@@H](N)c2ccccc2)CC[NH2+]C1 ZINC000414825772 386691630 /nfs/dbraw/zinc/69/16/30/386691630.db2.gz DBSGONJSFWGFBE-KGLIPLIRSA-N 1 3 233.359 1.276 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000414827413 386694373 /nfs/dbraw/zinc/69/43/73/386694373.db2.gz BQEMZTYOYPLIMD-GFCCVEGCSA-N 1 3 249.358 1.575 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000520604815 386705375 /nfs/dbraw/zinc/70/53/75/386705375.db2.gz YVXCUWWQPXFQCO-NEPJUHHUSA-N 1 3 242.363 1.531 20 0 BDADHO CC[NH+]1CCC(CCNCc2cn[nH]c2)CC1 ZINC000608062004 386735358 /nfs/dbraw/zinc/73/53/58/386735358.db2.gz OWCMGCGRXUBKFS-UHFFFAOYSA-N 1 3 236.363 1.621 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H](C)CNC)CCO1 ZINC000414838692 386738228 /nfs/dbraw/zinc/73/82/28/386738228.db2.gz LKTKBEOUWTZZEJ-YNEHKIRRSA-N 1 3 228.380 1.637 20 0 BDADHO CC[C@H](COC)NCC1([NH3+])CCCCC1 ZINC000414833818 386713474 /nfs/dbraw/zinc/71/34/74/386713474.db2.gz AYGRHXXMDTXMPF-LLVKDONJSA-N 1 3 214.353 1.663 20 0 BDADHO CC[C@H](COC)[NH2+]CC1(N)CCCCC1 ZINC000414833818 386713482 /nfs/dbraw/zinc/71/34/82/386713482.db2.gz AYGRHXXMDTXMPF-LLVKDONJSA-N 1 3 214.353 1.663 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@@H](C)[C@@H](N)C2)cn1 ZINC000340690325 386715258 /nfs/dbraw/zinc/71/52/58/386715258.db2.gz KZVFFXKSFQVWME-RISCZKNCSA-N 1 3 233.359 1.602 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@@H](C)[C@@H](N)C2)cn1 ZINC000340690325 386715266 /nfs/dbraw/zinc/71/52/66/386715266.db2.gz KZVFFXKSFQVWME-RISCZKNCSA-N 1 3 233.359 1.602 20 0 BDADHO CCCC[C@H](COC)NC[C@H](C)C[NH2+]C ZINC000414834808 386723325 /nfs/dbraw/zinc/72/33/25/386723325.db2.gz HVBJARHQSPBCQW-VXGBXAGGSA-N 1 3 216.369 1.637 20 0 BDADHO C[C@H]1COCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000192129242 386743385 /nfs/dbraw/zinc/74/33/85/386743385.db2.gz PIUIYZIGMLEROC-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](C[NH3+])N[C@@H](C)CCc1n[nH]c2ccccc12 ZINC000414934087 386792709 /nfs/dbraw/zinc/79/27/09/386792709.db2.gz UYJDWCOLJGAFPU-WDEREUQCSA-N 1 3 246.358 1.821 20 0 BDADHO C[C@H]1C[C@@H]1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071953 386786150 /nfs/dbraw/zinc/78/61/50/386786150.db2.gz CJGSOVHGEHHHSS-QWHCGFSZSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CCc3cn[nH]c3)CC[C@H]21 ZINC000334790427 386853548 /nfs/dbraw/zinc/85/35/48/386853548.db2.gz YCJQTEOCECGENG-UONOGXRCSA-N 1 3 248.374 1.368 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CCc3cn[nH]c3)CC[C@H]21 ZINC000334790427 386853552 /nfs/dbraw/zinc/85/35/52/386853552.db2.gz YCJQTEOCECGENG-UONOGXRCSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000334790427 386853555 /nfs/dbraw/zinc/85/35/55/386853555.db2.gz YCJQTEOCECGENG-UONOGXRCSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@H]21 ZINC000334790427 386853559 /nfs/dbraw/zinc/85/35/59/386853559.db2.gz YCJQTEOCECGENG-UONOGXRCSA-N 1 3 248.374 1.368 20 0 BDADHO C[N@H+](Cc1cccc2c[nH]nc21)C1CCNCC1 ZINC000335713364 386843702 /nfs/dbraw/zinc/84/37/02/386843702.db2.gz NPRUHTCIYVGHIB-UHFFFAOYSA-N 1 3 244.342 1.747 20 0 BDADHO C[N@@H+](Cc1cccc2c[nH]nc21)C1CCNCC1 ZINC000335713364 386843705 /nfs/dbraw/zinc/84/37/05/386843705.db2.gz NPRUHTCIYVGHIB-UHFFFAOYSA-N 1 3 244.342 1.747 20 0 BDADHO COc1ccc(C[NH2+]C2(C)CCNCC2)cc1 ZINC000414937556 386849394 /nfs/dbraw/zinc/84/93/94/386849394.db2.gz HSJPVGJKSNAEFZ-UHFFFAOYSA-N 1 3 234.343 1.927 20 0 BDADHO CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336675543 386852217 /nfs/dbraw/zinc/85/22/17/386852217.db2.gz BLGWDHVWHRUMKX-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000331562377 386869815 /nfs/dbraw/zinc/86/98/15/386869815.db2.gz XJCVZIHIBJAPBU-UTUOFQBUSA-N 1 3 226.364 1.253 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CN[C@@H]1CCCOCC1 ZINC000334862263 386914682 /nfs/dbraw/zinc/91/46/82/386914682.db2.gz JQBCZZGPQATRII-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331956051 386930489 /nfs/dbraw/zinc/93/04/89/386930489.db2.gz JTRKXFCBQDCIAT-HBNTYKKESA-N 1 3 200.326 1.007 20 0 BDADHO CC1(C)CC[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000334873777 386934859 /nfs/dbraw/zinc/93/48/59/386934859.db2.gz JGXTUPOWYAWAMI-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@](C)(O)C2)CC1 ZINC000334916843 386991924 /nfs/dbraw/zinc/99/19/24/386991924.db2.gz HRGVBAWDILWNJJ-XBXGTLAGSA-N 1 3 240.391 1.752 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000332583628 386993072 /nfs/dbraw/zinc/99/30/72/386993072.db2.gz KCWBFXZBLHOQJB-DRZSPHRISA-N 1 3 248.374 1.374 20 0 BDADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955595 387034014 /nfs/dbraw/zinc/03/40/14/387034014.db2.gz MCRFHUXTSVSVLQ-GWCFXTLKSA-N 1 3 247.342 1.472 20 0 BDADHO COc1ccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000107933278 387038395 /nfs/dbraw/zinc/03/83/95/387038395.db2.gz WYPLPSQCHCNULW-DGCLKSJQSA-N 1 3 234.343 1.864 20 0 BDADHO Cc1ccc([C@]2(C)CC[N@H+](CCN)C2)cc1 ZINC000334968712 387053020 /nfs/dbraw/zinc/05/30/20/387053020.db2.gz LYRLLEQIPOKDIN-CQSZACIVSA-N 1 3 218.344 1.917 20 0 BDADHO Cc1ccc([C@]2(C)CC[N@@H+](CCN)C2)cc1 ZINC000334968712 387053023 /nfs/dbraw/zinc/05/30/23/387053023.db2.gz LYRLLEQIPOKDIN-CQSZACIVSA-N 1 3 218.344 1.917 20 0 BDADHO CC[C@H]1CN(CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000359208388 387067601 /nfs/dbraw/zinc/06/76/01/387067601.db2.gz BSKZAIULNQJQPF-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000333241592 387022198 /nfs/dbraw/zinc/02/21/98/387022198.db2.gz DYVPCAXTRPDTFZ-YFKTTZPYSA-N 1 3 239.363 1.811 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCCN1 ZINC000333344069 387028561 /nfs/dbraw/zinc/02/85/61/387028561.db2.gz YTPWISBWASLALW-RAIGVLPGSA-N 1 3 248.374 1.387 20 0 BDADHO Fc1ccc2c(c1)[C@H](N1C[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000359294111 387080530 /nfs/dbraw/zinc/08/05/30/387080530.db2.gz AYQVJTREQUWISS-TYNCELHUSA-N 1 3 246.329 1.964 20 0 BDADHO CC1(F)CC(N[C@@H]2CCC[NH2+]CC2)C1 ZINC000335006700 387101581 /nfs/dbraw/zinc/10/15/81/387101581.db2.gz NGTLLHJHMOSWAQ-KPPDAEKUSA-N 1 3 200.301 1.609 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H](C)CN)C1CCCC1 ZINC000423301397 387132518 /nfs/dbraw/zinc/13/25/18/387132518.db2.gz FZHWYVDRBGPMNB-CMPLNLGQSA-N 1 3 214.353 1.376 20 0 BDADHO COC[C@H]([NH2+]C[C@@H](C)CN)C1CCCC1 ZINC000423301398 387132527 /nfs/dbraw/zinc/13/25/27/387132527.db2.gz FZHWYVDRBGPMNB-JQWIXIFHSA-N 1 3 214.353 1.376 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000423306163 387141523 /nfs/dbraw/zinc/14/15/23/387141523.db2.gz SFURGYDZYVDAGX-VXGBXAGGSA-N 1 3 226.364 1.388 20 0 BDADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C ZINC000423306163 387141524 /nfs/dbraw/zinc/14/15/24/387141524.db2.gz SFURGYDZYVDAGX-VXGBXAGGSA-N 1 3 226.364 1.388 20 0 BDADHO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2CNC2)C1 ZINC000423305826 387141650 /nfs/dbraw/zinc/14/16/50/387141650.db2.gz RSXPXLPZWQLXKU-NXEZZACHSA-N 1 3 236.281 1.917 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN ZINC000423312474 387149852 /nfs/dbraw/zinc/14/98/52/387149852.db2.gz VFTQUVKBDAKCFH-GRYCIOLGSA-N 1 3 214.353 1.376 20 0 BDADHO CC1(C)[C@H](NCC2([NH3+])CCC2)[C@@H]2CCCO[C@H]21 ZINC000423315951 387157128 /nfs/dbraw/zinc/15/71/28/387157128.db2.gz BHSHXVRINXLDOX-QJPTWQEYSA-N 1 3 238.375 1.661 20 0 BDADHO FCCC[C@H]1CCC[C@H]1[NH2+]CC1CNC1 ZINC000423333943 387180049 /nfs/dbraw/zinc/18/00/49/387180049.db2.gz WKZIMHMATFUWDN-VXGBXAGGSA-N 1 3 214.328 1.714 20 0 BDADHO FCCC[C@@H]1CCC[C@H]1[NH2+]CC1CNC1 ZINC000423333940 387181683 /nfs/dbraw/zinc/18/16/83/387181683.db2.gz WKZIMHMATFUWDN-NWDGAFQWSA-N 1 3 214.328 1.714 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)CCN1 ZINC000423374080 387192159 /nfs/dbraw/zinc/19/21/59/387192159.db2.gz HQFFHRKZUINGCO-JHEVNIALSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CCc2c1cccc2F ZINC000423303336 387137567 /nfs/dbraw/zinc/13/75/67/387137567.db2.gz WWPWIQGIIXTGJH-RNCFNFMXSA-N 1 3 222.307 1.997 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2cc(F)ccc21 ZINC000423303992 387138238 /nfs/dbraw/zinc/13/82/38/387138238.db2.gz XXOXUGNWNFFJJH-TVQRCGJNSA-N 1 3 222.307 1.997 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423304884 387139400 /nfs/dbraw/zinc/13/94/00/387139400.db2.gz PNQPUFPZAPUQDI-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CCOC[C@H]1CCC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423304885 387139624 /nfs/dbraw/zinc/13/96/24/387139624.db2.gz PNQPUFPZAPUQDI-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](COC)C1CC1 ZINC000423304795 387139870 /nfs/dbraw/zinc/13/98/70/387139870.db2.gz ZLXFBICMUSDDFC-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C12CCC2 ZINC000423359174 387211137 /nfs/dbraw/zinc/21/11/37/387211137.db2.gz CTYOPRYSXAKACQ-AXFHLTTASA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](COC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423366647 387218663 /nfs/dbraw/zinc/21/86/63/387218663.db2.gz BXKGBHYXRMRKMW-CQSZACIVSA-N 1 3 234.343 1.804 20 0 BDADHO C1CC([N@@H+]2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000371464174 387219254 /nfs/dbraw/zinc/21/92/54/387219254.db2.gz PHLILYKYWVXWME-IACUBPJLSA-N 1 3 220.360 1.955 20 0 BDADHO C1CC([N@H+]2C[C@@H]3CN4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000371464174 387219258 /nfs/dbraw/zinc/21/92/58/387219258.db2.gz PHLILYKYWVXWME-IACUBPJLSA-N 1 3 220.360 1.955 20 0 BDADHO C[C@@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423367648 387219395 /nfs/dbraw/zinc/21/93/95/387219395.db2.gz YQSFNXBNEBBDNR-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@H](C)[C@H](C)NCC[C@H]1CCC[NH2+]1 ZINC000423368580 387221494 /nfs/dbraw/zinc/22/14/94/387221494.db2.gz SBZATRJQROHLRZ-HBNTYKKESA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccnn1C ZINC000423427578 387253108 /nfs/dbraw/zinc/25/31/08/387253108.db2.gz FZGFKEDRCIJJFZ-KGYLQXTDSA-N 1 3 248.374 1.459 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000643497204 387228964 /nfs/dbraw/zinc/22/89/64/387228964.db2.gz RGMMZRXFYMNPBM-SDDRHHMPSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423373283 387229508 /nfs/dbraw/zinc/22/95/08/387229508.db2.gz JCGRYNCUQGGILQ-OXHZDVMGSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000423373286 387230332 /nfs/dbraw/zinc/23/03/32/387230332.db2.gz JCGRYNCUQGGILQ-WVWOOGAGSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)CN1CCCCC1 ZINC000120343915 387232603 /nfs/dbraw/zinc/23/26/03/387232603.db2.gz OHMKKILIKZWHLE-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@H]1CCO[C@@H]1C)C[NH+]1CCCCC1 ZINC000120343915 387232608 /nfs/dbraw/zinc/23/26/08/387232608.db2.gz OHMKKILIKZWHLE-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCSCC1 ZINC000423428007 387252021 /nfs/dbraw/zinc/25/20/21/387252021.db2.gz IUSIMXOHTUFAJI-YJQGPUDQSA-N 1 3 226.389 1.326 20 0 BDADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccco1 ZINC000423346422 387195275 /nfs/dbraw/zinc/19/52/75/387195275.db2.gz PDPDLNCLLDHXNQ-JTQLQIEISA-N 1 3 206.289 1.850 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@@H]1CCCOC1 ZINC000423349276 387201560 /nfs/dbraw/zinc/20/15/60/387201560.db2.gz VICIJDDWJJEKIW-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1cc(N)cc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000423469334 387316831 /nfs/dbraw/zinc/31/68/31/387316831.db2.gz CAASAQXUGICNHD-WDEREUQCSA-N 1 3 221.348 1.793 20 0 BDADHO CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428385 387254383 /nfs/dbraw/zinc/25/43/83/387254383.db2.gz ONWVXPVXISZBMT-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)CN)CCC2 ZINC000423379466 387262219 /nfs/dbraw/zinc/26/22/19/387262219.db2.gz XRWWAVWXDHNTNJ-IONNQARKSA-N 1 3 225.361 1.766 20 0 BDADHO COCC1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC000423382191 387265166 /nfs/dbraw/zinc/26/51/66/387265166.db2.gz OCLWRKZSQTVNCN-GFJIZPEISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)[C@H](C)O1 ZINC000423382116 387265192 /nfs/dbraw/zinc/26/51/92/387265192.db2.gz JUXCQUDYIRXPQN-JRPNMDOOSA-N 1 3 246.354 1.945 20 0 BDADHO C[C@H](NCc1ccc2c(c1)CNC2)[C@@H]1CCC[NH2+]1 ZINC000423387445 387270214 /nfs/dbraw/zinc/27/02/14/387270214.db2.gz MURRADBSURACRK-NHYWBVRUSA-N 1 3 245.370 1.520 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391667 387275727 /nfs/dbraw/zinc/27/57/27/387275727.db2.gz PNLWZWWIJXGCGS-QWRGUYRKSA-N 1 3 234.343 1.803 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](C)C1CCOCC1 ZINC000423391992 387276666 /nfs/dbraw/zinc/27/66/66/387276666.db2.gz XGGBOUYMRWGLGB-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](N[C@H](C)CCCC[NH3+])c1nccn1C ZINC000423435049 387286237 /nfs/dbraw/zinc/28/62/37/387286237.db2.gz ONLPPJWQAGWTDH-NEPJUHHUSA-N 1 3 238.379 1.978 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643499208 387286474 /nfs/dbraw/zinc/28/64/74/387286474.db2.gz INPOATKGRRDMDO-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CCC[C@H](OC)C1 ZINC000643499208 387286478 /nfs/dbraw/zinc/28/64/78/387286478.db2.gz INPOATKGRRDMDO-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000423435846 387286720 /nfs/dbraw/zinc/28/67/20/387286720.db2.gz SQWLPDRTUCNSTP-UPJWGTAASA-N 1 3 238.375 1.269 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCCC12CCCC2 ZINC000423435846 387286724 /nfs/dbraw/zinc/28/67/24/387286724.db2.gz SQWLPDRTUCNSTP-UPJWGTAASA-N 1 3 238.375 1.269 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1(C)C ZINC000423437669 387288241 /nfs/dbraw/zinc/28/82/41/387288241.db2.gz GLDSZZQKZLKIFZ-NOOOWODRSA-N 1 3 228.380 1.904 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423442241 387292512 /nfs/dbraw/zinc/29/25/12/387292512.db2.gz JSFPJCWXXQVSAN-DCAQKATOSA-N 1 3 222.332 1.565 20 0 BDADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCCCC1 ZINC000088397314 387293741 /nfs/dbraw/zinc/29/37/41/387293741.db2.gz SJVMQJVFUZUJCH-GJZGRUSLSA-N 1 3 248.370 1.403 20 0 BDADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCC1 ZINC000088397314 387293743 /nfs/dbraw/zinc/29/37/43/387293743.db2.gz SJVMQJVFUZUJCH-GJZGRUSLSA-N 1 3 248.370 1.403 20 0 BDADHO CC[C@H](N[C@H](C)[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448579 387297887 /nfs/dbraw/zinc/29/78/87/387297887.db2.gz QOMNURWSOALHDO-AXFHLTTASA-N 1 3 242.363 1.434 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@@H+](C)C[C@H]2C)on1 ZINC000353995190 387307417 /nfs/dbraw/zinc/30/74/17/387307417.db2.gz HHHSDSFHKLFTLM-ZWNOBZJWSA-N 1 3 237.347 1.455 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@H+](C)C[C@H]2C)on1 ZINC000353995190 387307420 /nfs/dbraw/zinc/30/74/20/387307420.db2.gz HHHSDSFHKLFTLM-ZWNOBZJWSA-N 1 3 237.347 1.455 20 0 BDADHO CC[C@@H](N)C[NH2+][C@@H](CC)c1ccncc1 ZINC000423461022 387308513 /nfs/dbraw/zinc/30/85/13/387308513.db2.gz JFWPRIOTGZOPLA-NEPJUHHUSA-N 1 3 207.321 1.860 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H](CC)C1(C(=O)OC)CCC1 ZINC000423481620 387364262 /nfs/dbraw/zinc/36/42/62/387364262.db2.gz XAHKGKWOSZCDIH-GHMZBOCLSA-N 1 3 242.363 1.435 20 0 BDADHO Cc1cc([C@H](C)NCCC2=CC[NH2+]CC2)nn1C ZINC000423539039 387365513 /nfs/dbraw/zinc/36/55/13/387365513.db2.gz OIDTUHIDGIOVAK-LBPRGKRZSA-N 1 3 248.374 1.689 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC[C@H](F)C1 ZINC000515384206 387373369 /nfs/dbraw/zinc/37/33/69/387373369.db2.gz DHFQLKQCEMYUOP-RHYQMDGZSA-N 1 3 214.328 1.855 20 0 BDADHO COC[C@H]([NH2+]CCCNC1CC1)C1CCCC1 ZINC000423562545 387378255 /nfs/dbraw/zinc/37/82/55/387378255.db2.gz QQAYYQDKIKVBHG-AWEZNQCLSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@H](NCCC[NH2+]C1CC1)C1CCCC1 ZINC000423562545 387378259 /nfs/dbraw/zinc/37/82/59/387378259.db2.gz QQAYYQDKIKVBHG-AWEZNQCLSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](Cn1cccn1)C(C)C ZINC000423473125 387319769 /nfs/dbraw/zinc/31/97/69/387319769.db2.gz QNVWCNSQYAFAPX-RYUDHWBXSA-N 1 3 224.352 1.235 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623337308 387337212 /nfs/dbraw/zinc/33/72/12/387337212.db2.gz CQKOZODSMLTBAJ-ZDUSSCGKSA-N 1 3 241.423 1.791 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423511467 387346936 /nfs/dbraw/zinc/34/69/36/387346936.db2.gz TUMVBHPSWFCNCG-ZMLRMANQSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)CCC[NH3+])c1 ZINC000423786977 387427201 /nfs/dbraw/zinc/42/72/01/387427201.db2.gz QSFPDOADRNLOGD-UHFFFAOYSA-N 1 3 249.358 1.734 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352669233 387429759 /nfs/dbraw/zinc/42/97/59/387429759.db2.gz YEHNXNXRTDEZRY-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352669233 387429763 /nfs/dbraw/zinc/42/97/63/387429763.db2.gz YEHNXNXRTDEZRY-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352669231 387430647 /nfs/dbraw/zinc/43/06/47/387430647.db2.gz YEHNXNXRTDEZRY-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352669231 387430649 /nfs/dbraw/zinc/43/06/49/387430649.db2.gz YEHNXNXRTDEZRY-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CC(C)(C[NH2+]CC1(C)COC1)CN1CCCC1 ZINC000352705513 387447070 /nfs/dbraw/zinc/44/70/70/387447070.db2.gz POEWKPDDBPZLCN-UHFFFAOYSA-N 1 3 240.391 1.735 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCC2(CO)CC2)C1 ZINC000395940638 387515517 /nfs/dbraw/zinc/51/55/17/387515517.db2.gz KVRXDJIYEOUXPT-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO C[C@@H](CC[NH2+]CC1(C)COC1)N1CCCCC1 ZINC000352737591 387464057 /nfs/dbraw/zinc/46/40/57/387464057.db2.gz QNUNXHOVFKTXDY-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000374698479 387483823 /nfs/dbraw/zinc/48/38/23/387483823.db2.gz JLOYVLPZZVKZIE-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO CC(C)NCCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000643508445 387490482 /nfs/dbraw/zinc/49/04/82/387490482.db2.gz KMVVNGQQRUWZGH-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CCCNC(C)C)C1 ZINC000643508404 387490971 /nfs/dbraw/zinc/49/09/71/387490971.db2.gz DPZSSGDZILCUJY-CHWSQXEVSA-N 1 3 228.380 1.922 20 0 BDADHO CO[C@@H]1CCC[C@@H](NCCC[NH2+]C(C)C)C1 ZINC000643508404 387490973 /nfs/dbraw/zinc/49/09/73/387490973.db2.gz DPZSSGDZILCUJY-CHWSQXEVSA-N 1 3 228.380 1.922 20 0 BDADHO CC(C)NCCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000643508444 387491222 /nfs/dbraw/zinc/49/12/22/387491222.db2.gz KMVVNGQQRUWZGH-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422716138 387628164 /nfs/dbraw/zinc/62/81/64/387628164.db2.gz UCDUCNDOZORFLL-IACUBPJLSA-N 1 3 242.407 1.761 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422716138 387628167 /nfs/dbraw/zinc/62/81/67/387628167.db2.gz UCDUCNDOZORFLL-IACUBPJLSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CCc1cccnc1 ZINC000123716551 387591730 /nfs/dbraw/zinc/59/17/30/387591730.db2.gz SCZLPEQXBLBAHQ-AWEZNQCLSA-N 1 3 235.375 1.929 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@H](N)C2CCC2)c1 ZINC000422534549 387595346 /nfs/dbraw/zinc/59/53/46/387595346.db2.gz BGKOHDFMKZJASX-CYBMUJFWSA-N 1 3 247.342 1.472 20 0 BDADHO Cc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])c(C)n1 ZINC000643514822 387599755 /nfs/dbraw/zinc/59/97/55/387599755.db2.gz MEBZVPDWZPUKSK-GXSJLCMTSA-N 1 3 221.348 1.944 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305364949 387601522 /nfs/dbraw/zinc/60/15/22/387601522.db2.gz VIAFMHJURWQIBJ-BFHYXJOUSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305364949 387601526 /nfs/dbraw/zinc/60/15/26/387601526.db2.gz VIAFMHJURWQIBJ-BFHYXJOUSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000422635889 387610721 /nfs/dbraw/zinc/61/07/21/387610721.db2.gz LZXJLNXFNIIXIB-BZPMIXESSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H](CCC[NH3+])NCc1cn2ccsc2n1 ZINC000422700976 387614551 /nfs/dbraw/zinc/61/45/51/387614551.db2.gz HQCUMXJOCHIJEU-SECBINFHSA-N 1 3 238.360 1.613 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCCO1 ZINC000422701492 387615274 /nfs/dbraw/zinc/61/52/74/387615274.db2.gz IRQBZOUCVJNPTG-AXFHLTTASA-N 1 3 200.326 1.271 20 0 BDADHO COC[C@@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422699779 387616053 /nfs/dbraw/zinc/61/60/53/387616053.db2.gz FFKBMRBVGSSJLW-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@@H](C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705181 387620058 /nfs/dbraw/zinc/62/00/58/387620058.db2.gz BIIGEBPYAYSDGL-OCIKQUFWSA-N 1 3 226.364 1.266 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422707098 387620340 /nfs/dbraw/zinc/62/03/40/387620340.db2.gz GQSZTEYSNAKNNQ-QNWHQSFQSA-N 1 3 228.380 1.643 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422707099 387621679 /nfs/dbraw/zinc/62/16/79/387621679.db2.gz GQSZTEYSNAKNNQ-UMSGYPCISA-N 1 3 228.380 1.643 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCCO1 ZINC000422704428 387621817 /nfs/dbraw/zinc/62/18/17/387621817.db2.gz PQJMJQYOUIWWDM-XQQFMLRXSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@H](CCc1ccco1)NC[C@H]([NH3+])C1CC1 ZINC000643516434 387623996 /nfs/dbraw/zinc/62/39/96/387623996.db2.gz CPBIAUGMYNHOJK-MFKMUULPSA-N 1 3 222.332 1.928 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000430537812 387625694 /nfs/dbraw/zinc/62/56/94/387625694.db2.gz HXSOEDTZCCEANX-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO Cc1ncsc1CCN[C@@](C)(C[NH3+])C(C)C ZINC000430547326 387627955 /nfs/dbraw/zinc/62/79/55/387627955.db2.gz KSPVZDKRPQDHTF-LBPRGKRZSA-N 1 3 241.404 1.957 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422723764 387633199 /nfs/dbraw/zinc/63/31/99/387633199.db2.gz SIYTTXGMMMEFGS-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CCOCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422735059 387642609 /nfs/dbraw/zinc/64/26/09/387642609.db2.gz UKJFDNAETIIDQJ-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO COCCCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422734670 387643585 /nfs/dbraw/zinc/64/35/85/387643585.db2.gz UQAIJBDBHYLJTK-GXTWGEPZSA-N 1 3 236.359 1.571 20 0 BDADHO C[C@@H](NC[C@H](C)N(C)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000422741496 387647495 /nfs/dbraw/zinc/64/74/95/387647495.db2.gz ONNBQKKKQUOKAJ-OUCADQQQSA-N 1 3 239.407 1.589 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744908 387647618 /nfs/dbraw/zinc/64/76/18/387647618.db2.gz UIZVVFAWLVUWQV-HUUCEWRRSA-N 1 3 248.370 1.929 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(C2CC2)C1 ZINC000422746145 387651398 /nfs/dbraw/zinc/65/13/98/387651398.db2.gz VZYODZUUPXZBKQ-MBNYWOFBSA-N 1 3 237.391 1.201 20 0 BDADHO CCN(CC)CC[NH2+][C@H](C)c1cnccc1N ZINC000422747142 387651574 /nfs/dbraw/zinc/65/15/74/387651574.db2.gz PFWVLGMFWUXJAO-LLVKDONJSA-N 1 3 236.363 1.487 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CCCCC1 ZINC000422749592 387652679 /nfs/dbraw/zinc/65/26/79/387652679.db2.gz ZVCCDVBQHJNMHU-IACUBPJLSA-N 1 3 240.391 1.909 20 0 BDADHO CSCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422749786 387655162 /nfs/dbraw/zinc/65/51/62/387655162.db2.gz AXHGXFSAOVTZDJ-WDEREUQCSA-N 1 3 216.394 1.717 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000422750268 387656617 /nfs/dbraw/zinc/65/66/17/387656617.db2.gz AJTWHVSZHYVMHJ-TUAOUCFPSA-N 1 3 248.326 1.296 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCn1cnc2ccccc21 ZINC000422755270 387658141 /nfs/dbraw/zinc/65/81/41/387658141.db2.gz GOEXXAFJXAQZEN-NEPJUHHUSA-N 1 3 244.342 1.506 20 0 BDADHO C[C@H]1CN(CCN(C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430918484 387660126 /nfs/dbraw/zinc/66/01/26/387660126.db2.gz NEJRHVROUONIPJ-ZFWWWQNUSA-N 1 3 247.386 1.792 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422756877 387660326 /nfs/dbraw/zinc/66/03/26/387660326.db2.gz MATOIFNESNIGJV-QJPTWQEYSA-N 1 3 213.369 1.186 20 0 BDADHO CN(C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000422757864 387660743 /nfs/dbraw/zinc/66/07/43/387660743.db2.gz NDSKSBRZGBLAMX-SOUVJXGZSA-N 1 3 247.386 1.759 20 0 BDADHO CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)c1ccccc1 ZINC000422757864 387660745 /nfs/dbraw/zinc/66/07/45/387660745.db2.gz NDSKSBRZGBLAMX-SOUVJXGZSA-N 1 3 247.386 1.759 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422758324 387661853 /nfs/dbraw/zinc/66/18/53/387661853.db2.gz JIGXQOREUIBAHZ-AXFHLTTASA-N 1 3 214.353 1.253 20 0 BDADHO CCCC[C@H](COC)N[C@H](C)C[C@H](C)[NH3+] ZINC000422761652 387662832 /nfs/dbraw/zinc/66/28/32/387662832.db2.gz RJVSAJFCVLFXOM-QJPTWQEYSA-N 1 3 216.369 1.907 20 0 BDADHO COc1ccccc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422763555 387664735 /nfs/dbraw/zinc/66/47/35/387664735.db2.gz OVNWRXPNZSDWQC-NEPJUHHUSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccccc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422763555 387664736 /nfs/dbraw/zinc/66/47/36/387664736.db2.gz OVNWRXPNZSDWQC-NEPJUHHUSA-N 1 3 236.359 1.953 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCC(C)CC1 ZINC000422777772 387674917 /nfs/dbraw/zinc/67/49/17/387674917.db2.gz GNPUAAYXSBKKSE-MCIONIFRSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCOCC1CC1 ZINC000422777578 387675037 /nfs/dbraw/zinc/67/50/37/387675037.db2.gz CKVGEMZRXVQJBZ-WCQYABFASA-N 1 3 226.364 1.391 20 0 BDADHO CCCCOCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422784658 387684310 /nfs/dbraw/zinc/68/43/10/387684310.db2.gz QBONTBHSYACZIV-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@H](Cc1ccccc1F)N[C@@H](C)C1C[NH2+]C1 ZINC000422744471 387689396 /nfs/dbraw/zinc/68/93/96/387689396.db2.gz WDCKTYUMNSXSRG-MNOVXSKESA-N 1 3 236.334 1.954 20 0 BDADHO C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)C1CNC1 ZINC000422744471 387689404 /nfs/dbraw/zinc/68/94/04/387689404.db2.gz WDCKTYUMNSXSRG-MNOVXSKESA-N 1 3 236.334 1.954 20 0 BDADHO C[C@H](N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861057 387742998 /nfs/dbraw/zinc/74/29/98/387742998.db2.gz IWPSFOKHDXQSHP-CZXHOFHRSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000422866945 387746789 /nfs/dbraw/zinc/74/67/89/387746789.db2.gz RFNPLUYCEHWJNC-STQMWFEESA-N 1 3 247.386 1.709 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)N(C)c1ccccc1 ZINC000422866945 387746797 /nfs/dbraw/zinc/74/67/97/387746797.db2.gz RFNPLUYCEHWJNC-STQMWFEESA-N 1 3 247.386 1.709 20 0 BDADHO C[C@@H]1CCCN(CCN[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422864849 387747106 /nfs/dbraw/zinc/74/71/06/387747106.db2.gz WMCXWQYLFNHDIO-MCIONIFRSA-N 1 3 239.407 1.306 20 0 BDADHO CC1CCN(CC[NH2+][C@H]2CCC[C@@H]2N)CC1 ZINC000422868058 387749011 /nfs/dbraw/zinc/74/90/11/387749011.db2.gz UFTMHTHHMZWAJC-STQMWFEESA-N 1 3 225.380 1.188 20 0 BDADHO CC1CCN(CCN[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422868058 387749016 /nfs/dbraw/zinc/74/90/16/387749016.db2.gz UFTMHTHHMZWAJC-STQMWFEESA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCC(F)(F)F ZINC000157155308 387754557 /nfs/dbraw/zinc/75/45/57/387754557.db2.gz OLVGMQRJMPQBKO-BDAKNGLRSA-N 1 3 224.270 1.869 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCC(F)(F)F ZINC000157155308 387754562 /nfs/dbraw/zinc/75/45/62/387754562.db2.gz OLVGMQRJMPQBKO-BDAKNGLRSA-N 1 3 224.270 1.869 20 0 BDADHO c1cnc2c(c1)CCC[C@@H]2NCC1=CC[NH2+]CC1 ZINC000643520548 387700283 /nfs/dbraw/zinc/70/02/83/387700283.db2.gz ZSHGSHUTYNYOAY-AWEZNQCLSA-N 1 3 243.354 1.968 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1CCOCC1 ZINC000422802454 387701318 /nfs/dbraw/zinc/70/13/18/387701318.db2.gz BNHJDZZMPFVQPE-GVXVVHGQSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCCCCC1 ZINC000422807820 387704439 /nfs/dbraw/zinc/70/44/39/387704439.db2.gz NHCGVDSWGNCSMT-KGLIPLIRSA-N 1 3 239.407 1.450 20 0 BDADHO C[C@H](NCCN1CCCCCC1)C1C[NH2+]C1 ZINC000422807798 387706701 /nfs/dbraw/zinc/70/67/01/387706701.db2.gz NFNSJAUKDLSABQ-LBPRGKRZSA-N 1 3 225.380 1.060 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCCCCO)CC1 ZINC000377267431 387707178 /nfs/dbraw/zinc/70/71/78/387707178.db2.gz PGPIXJBWBXJXTE-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCCCCO)CC1 ZINC000377267431 387707183 /nfs/dbraw/zinc/70/71/83/387707183.db2.gz PGPIXJBWBXJXTE-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCCCCO)CC1 ZINC000377267431 387707190 /nfs/dbraw/zinc/70/71/90/387707190.db2.gz PGPIXJBWBXJXTE-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1Cc2ccccc2O1 ZINC000422810948 387707653 /nfs/dbraw/zinc/70/76/53/387707653.db2.gz SPPRGAXYSZDCFU-GVXVVHGQSA-N 1 3 234.343 1.706 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCN1CCCCCC1 ZINC000422808584 387708228 /nfs/dbraw/zinc/70/82/28/387708228.db2.gz OMMHQTPKTWATJI-STQMWFEESA-N 1 3 225.380 1.332 20 0 BDADHO C[C@@H](Cc1cccs1)N[C@@H](C)C1C[NH2+]C1 ZINC000422808269 387708278 /nfs/dbraw/zinc/70/82/78/387708278.db2.gz OCZZRJWYVPAPLL-UWVGGRQHSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@@H](Cc1cccs1)[NH2+][C@@H](C)C1CNC1 ZINC000422808269 387708285 /nfs/dbraw/zinc/70/82/85/387708285.db2.gz OCZZRJWYVPAPLL-UWVGGRQHSA-N 1 3 224.373 1.877 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422808597 387708498 /nfs/dbraw/zinc/70/84/98/387708498.db2.gz OOLJXUHUWNZYRR-GMTAPVOTSA-N 1 3 202.342 1.373 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C(C)(C)C ZINC000422809358 387708620 /nfs/dbraw/zinc/70/86/20/387708620.db2.gz MCHPEJRABPPMAC-QJPTWQEYSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCCCC1 ZINC000422809354 387708903 /nfs/dbraw/zinc/70/89/03/387708903.db2.gz MBRVFQZBBVRSQQ-UONOGXRCSA-N 1 3 239.407 1.450 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000422808581 387709468 /nfs/dbraw/zinc/70/94/68/387709468.db2.gz OMMHQTPKTWATJI-CHWSQXEVSA-N 1 3 225.380 1.332 20 0 BDADHO CO[C@H](CN[C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422810019 387709654 /nfs/dbraw/zinc/70/96/54/387709654.db2.gz QTNHNMJYESRHNX-RWMBFGLXSA-N 1 3 228.380 1.907 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cn2ccccc2n1 ZINC000422816490 387714900 /nfs/dbraw/zinc/71/49/00/387714900.db2.gz FLKQPFTUKVKAEQ-OLZOCXBDSA-N 1 3 244.342 1.346 20 0 BDADHO CCCN(CC)CC[NH2+][C@H]1CCC[C@@H]1N ZINC000422817313 387715761 /nfs/dbraw/zinc/71/57/61/387715761.db2.gz CVIXQBNJZTXAFE-RYUDHWBXSA-N 1 3 213.369 1.188 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCCSC1 ZINC000422821190 387717899 /nfs/dbraw/zinc/71/78/99/387717899.db2.gz UXJSWDFBCJHCGZ-BBBLOLIVSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCCNc1ccccn1 ZINC000422831121 387723670 /nfs/dbraw/zinc/72/36/70/387723670.db2.gz JETWGUIKDSVOFS-NEPJUHHUSA-N 1 3 236.363 1.599 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCCNc1ccccn1 ZINC000422831121 387723675 /nfs/dbraw/zinc/72/36/75/387723675.db2.gz JETWGUIKDSVOFS-NEPJUHHUSA-N 1 3 236.363 1.599 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCCC[C@H]1C ZINC000422852724 387737033 /nfs/dbraw/zinc/73/70/33/387737033.db2.gz BCBDZBZELMODKG-MQYQWHSLSA-N 1 3 239.407 1.719 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858614 387741261 /nfs/dbraw/zinc/74/12/61/387741261.db2.gz GPZVDXRVTLXRIV-YIPFDTCYSA-N 1 3 249.402 1.484 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCOC1 ZINC000422856112 387741761 /nfs/dbraw/zinc/74/17/61/387741761.db2.gz DPFROPYQVJFBJI-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000422856112 387741769 /nfs/dbraw/zinc/74/17/69/387741769.db2.gz DPFROPYQVJFBJI-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CCCCO[C@@H]1C[C@H](NC[C@@H](C)[NH3+])C1(C)C ZINC000643527577 387766671 /nfs/dbraw/zinc/76/66/71/387766671.db2.gz OSVKSTPKAZYHHA-GRYCIOLGSA-N 1 3 228.380 1.907 20 0 BDADHO CN(C)c1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422914885 387770728 /nfs/dbraw/zinc/77/07/28/387770728.db2.gz WJEUXSUXJTZMJJ-TZMCWYRMSA-N 1 3 247.386 1.970 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422915041 387770805 /nfs/dbraw/zinc/77/08/05/387770805.db2.gz AMJMKPUFFJMUPM-FRRDWIJNSA-N 1 3 228.380 1.515 20 0 BDADHO COc1cccc(C[C@H](NC[C@@H](C)[NH3+])C2CC2)c1 ZINC000643528873 387771699 /nfs/dbraw/zinc/77/16/99/387771699.db2.gz QIQZZURVRFFRNB-ABAIWWIYSA-N 1 3 248.370 1.953 20 0 BDADHO COc1cccc(C[C@@H](NC[C@@H](C)[NH3+])C2CC2)c1 ZINC000643528874 387772324 /nfs/dbraw/zinc/77/23/24/387772324.db2.gz QIQZZURVRFFRNB-IAQYHMDHSA-N 1 3 248.370 1.953 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCSC1 ZINC000422921729 387776184 /nfs/dbraw/zinc/77/61/84/387776184.db2.gz QSPBVPWGVMRABH-GMTAPVOTSA-N 1 3 214.378 1.742 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H](OC)C1 ZINC000643530005 387782291 /nfs/dbraw/zinc/78/22/91/387782291.db2.gz WRMOCQCJTSDZHK-IJLUTSLNSA-N 1 3 214.353 1.532 20 0 BDADHO CC[C@H](NC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422900103 387785205 /nfs/dbraw/zinc/78/52/05/387785205.db2.gz PWHYNRVNCSDRPS-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO OC1CC(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000432408934 387786632 /nfs/dbraw/zinc/78/66/32/387786632.db2.gz DJDBOEGSUPEKGV-QPPOZKHWSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000432408934 387786636 /nfs/dbraw/zinc/78/66/36/387786636.db2.gz DJDBOEGSUPEKGV-QPPOZKHWSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432408934 387786640 /nfs/dbraw/zinc/78/66/40/387786640.db2.gz DJDBOEGSUPEKGV-QPPOZKHWSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(O)CCC1 ZINC000422982743 387793181 /nfs/dbraw/zinc/79/31/81/387793181.db2.gz XUAAHEKXQDVHQP-OCCSQVGLSA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)COC2 ZINC000422986712 387795813 /nfs/dbraw/zinc/79/58/13/387795813.db2.gz DHFVPIVKGNPQPR-MNOVXSKESA-N 1 3 234.343 1.932 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000422989460 387798586 /nfs/dbraw/zinc/79/85/86/387798586.db2.gz LWGSGAPOYPQTGE-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)CCO ZINC000423002629 387807296 /nfs/dbraw/zinc/80/72/96/387807296.db2.gz GHZITGUZFMRKTN-NWDGAFQWSA-N 1 3 228.380 1.373 20 0 BDADHO COCCC[NH+]1CCC(N(C)C)CC1 ZINC000193823448 387810602 /nfs/dbraw/zinc/81/06/02/387810602.db2.gz HCXUPEQLVQMXPK-UHFFFAOYSA-N 1 3 200.326 1.049 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000422883167 387757855 /nfs/dbraw/zinc/75/78/55/387757855.db2.gz BSQBQSWXOTWFGM-YYHQMBLXSA-N 1 3 226.364 1.659 20 0 BDADHO CCC[C@@H](C(=O)NCC([NH3+])(CC)CC)N(C)C ZINC000422880852 387758654 /nfs/dbraw/zinc/75/86/54/387758654.db2.gz PAFFUJXKLIHGRQ-NSHDSACASA-N 1 3 243.395 1.350 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H](C)[C@H]1CCCO1 ZINC000564074289 387819938 /nfs/dbraw/zinc/81/99/38/387819938.db2.gz RQDYPUSQSAGJBG-NWDGAFQWSA-N 1 3 214.353 1.532 20 0 BDADHO CC(C)[NH2+]CCCN[C@H](C)[C@@H]1CCCO1 ZINC000564074288 387820085 /nfs/dbraw/zinc/82/00/85/387820085.db2.gz RQDYPUSQSAGJBG-NEPJUHHUSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@H]([NH2+]CC1(C2CC2)CCC1)C1CNC1 ZINC000423006804 387829323 /nfs/dbraw/zinc/82/93/23/387829323.db2.gz WMEPWZIDZAZDLK-JTQLQIEISA-N 1 3 208.349 1.764 20 0 BDADHO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])[n-]1 ZINC000423009140 387831802 /nfs/dbraw/zinc/83/18/02/387831802.db2.gz CHPFACCDWYEZSM-NXEZZACHSA-N 1 3 239.367 1.706 20 0 BDADHO CC(C)c1nnc([C@@H](C)N[C@H](C)CCC[NH3+])[nH]1 ZINC000423009140 387831805 /nfs/dbraw/zinc/83/18/05/387831805.db2.gz CHPFACCDWYEZSM-NXEZZACHSA-N 1 3 239.367 1.706 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1(C)C ZINC000423011609 387833683 /nfs/dbraw/zinc/83/36/83/387833683.db2.gz BCMUUNBWAJCBQQ-PZWNZHSQSA-N 1 3 228.380 1.761 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(CO)CC1 ZINC000643459235 387836164 /nfs/dbraw/zinc/83/61/64/387836164.db2.gz AOYXMERDMBDUFJ-JSGCOSHPSA-N 1 3 248.370 1.307 20 0 BDADHO CO[C@H]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013728 387836983 /nfs/dbraw/zinc/83/69/83/387836983.db2.gz GLSSKKNAPJYIFG-MWWBDVBNSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423019599 387840451 /nfs/dbraw/zinc/84/04/51/387840451.db2.gz WHPYLOQYZPCPDV-RFQIPJPRSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1cncc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423018373 387841622 /nfs/dbraw/zinc/84/16/22/387841622.db2.gz YSPUZUUZZDGTPW-KGLIPLIRSA-N 1 3 233.359 1.997 20 0 BDADHO CC1=CCN(CCN[C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032178 387848399 /nfs/dbraw/zinc/84/83/99/387848399.db2.gz DZXWABZCQJUVST-KBPBESRZSA-N 1 3 237.391 1.226 20 0 BDADHO CC(C)OCCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000423036252 387851603 /nfs/dbraw/zinc/85/16/03/387851603.db2.gz SVHBYSDHGSQYBQ-RYUDHWBXSA-N 1 3 216.369 1.907 20 0 BDADHO CC(C)(C)[C@H](CCO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423038196 387851846 /nfs/dbraw/zinc/85/18/46/387851846.db2.gz NXMZVTSYIKWLJB-HNGCFSAESA-N 1 3 240.391 1.656 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423038994 387852753 /nfs/dbraw/zinc/85/27/53/387852753.db2.gz ZOWPVBHBJRPPGV-RYUDHWBXSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(CO)CCC1 ZINC000423038994 387852756 /nfs/dbraw/zinc/85/27/56/387852756.db2.gz ZOWPVBHBJRPPGV-RYUDHWBXSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H](NC[C@@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038386 387852760 /nfs/dbraw/zinc/85/27/60/387852760.db2.gz YPMYQUNTEZFXKD-DOMZBBRYSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C1CNC1 ZINC000423038386 387852762 /nfs/dbraw/zinc/85/27/62/387852762.db2.gz YPMYQUNTEZFXKD-DOMZBBRYSA-N 1 3 248.370 1.178 20 0 BDADHO CC1=CCN(CCN[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423038784 387853027 /nfs/dbraw/zinc/85/30/27/387853027.db2.gz PBBBXXDNXYUSAK-KGLIPLIRSA-N 1 3 237.391 1.355 20 0 BDADHO CC1=CCN(CC[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000423038784 387853028 /nfs/dbraw/zinc/85/30/28/387853028.db2.gz PBBBXXDNXYUSAK-KGLIPLIRSA-N 1 3 237.391 1.355 20 0 BDADHO C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])C(F)(F)F ZINC000423051896 387859172 /nfs/dbraw/zinc/85/91/72/387859172.db2.gz OOGKCFGRXOOMBW-CSMHCCOUSA-N 1 3 212.259 1.900 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051818 387859303 /nfs/dbraw/zinc/85/93/03/387859303.db2.gz OEBRJGXECZBKHZ-OLZOCXBDSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@H]1CCCCO1 ZINC000423051013 387860616 /nfs/dbraw/zinc/86/06/16/387860616.db2.gz ZLNKGRILUBWWAU-FIQHERPVSA-N 1 3 214.353 1.659 20 0 BDADHO CN(C)C1(C[NH2+][C@H]2CCCCC[C@H]2N)CCC1 ZINC000423059074 387864151 /nfs/dbraw/zinc/86/41/51/387864151.db2.gz KZKYYYBPETXQRN-OLZOCXBDSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066582 387869476 /nfs/dbraw/zinc/86/94/76/387869476.db2.gz XHTWBXCQJCOSIP-UJPOAAIJSA-N 1 3 226.364 1.517 20 0 BDADHO CCC(O)(CC)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000423065209 387870578 /nfs/dbraw/zinc/87/05/78/387870578.db2.gz BBPXBPYSDRJTRM-MNOVXSKESA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964890 387814459 /nfs/dbraw/zinc/81/44/59/387814459.db2.gz MYWUHQHYJYPNBQ-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478240 387815341 /nfs/dbraw/zinc/81/53/41/387815341.db2.gz KPPACLWDZOWIML-GJZGRUSLSA-N 1 3 248.370 1.438 20 0 BDADHO C[C@H](N)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663168 387816646 /nfs/dbraw/zinc/81/66/46/387816646.db2.gz IZGKWEQLWLYUMH-DZGCQCFKSA-N 1 3 247.386 1.934 20 0 BDADHO C[C@H](N)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000442663168 387816650 /nfs/dbraw/zinc/81/66/50/387816650.db2.gz IZGKWEQLWLYUMH-DZGCQCFKSA-N 1 3 247.386 1.934 20 0 BDADHO C[C@H]([NH3+])CN1CCN(CC2CCCCC2)CC1 ZINC000442661059 387817571 /nfs/dbraw/zinc/81/75/71/387817571.db2.gz FDGFEAQMLHLWDJ-ZDUSSCGKSA-N 1 3 239.407 1.532 20 0 BDADHO C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)C1CNC1 ZINC000423116286 387898889 /nfs/dbraw/zinc/89/88/89/387898889.db2.gz PEYVNBKLFNGXAH-UTUOFQBUSA-N 1 3 240.391 1.778 20 0 BDADHO CCCN1CCC[C@H]1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423112236 387897019 /nfs/dbraw/zinc/89/70/19/387897019.db2.gz RUHTXIUUBSQILQ-HZSPNIEDSA-N 1 3 239.407 1.448 20 0 BDADHO COCC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CCC1 ZINC000423116278 387898315 /nfs/dbraw/zinc/89/83/15/387898315.db2.gz PDEMUCTZDQAMAN-RYUDHWBXSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](NCCC1CC(O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423075871 387876969 /nfs/dbraw/zinc/87/69/69/387876969.db2.gz POOVNXKZWNCKFK-WTIISPKJSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1N(C)CCCC1(C)C ZINC000423083276 387877681 /nfs/dbraw/zinc/87/76/81/387877681.db2.gz FSPGTWMHTICAGB-AVGNSLFASA-N 1 3 241.423 1.822 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCC1(CO)CC2(CCC2)C1 ZINC000423082957 387878586 /nfs/dbraw/zinc/87/85/86/387878586.db2.gz FXUSVUUCFTWQJM-NWDGAFQWSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082957 387878591 /nfs/dbraw/zinc/87/85/91/387878591.db2.gz FXUSVUUCFTWQJM-NWDGAFQWSA-N 1 3 240.391 1.645 20 0 BDADHO CSC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CCC1 ZINC000423082980 387879181 /nfs/dbraw/zinc/87/91/81/387879181.db2.gz GADXYMJBIQREMN-GHMZBOCLSA-N 1 3 228.405 1.860 20 0 BDADHO COC1CCC(C)(C[NH2+][C@@H]2CCNC2)CC1 ZINC000423090259 387882363 /nfs/dbraw/zinc/88/23/63/387882363.db2.gz XAXPIZAGZPVZGM-PNESKVBLSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCOC1 ZINC000423119758 387900158 /nfs/dbraw/zinc/90/01/58/387900158.db2.gz DPFROPYQVJFBJI-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000423119758 387900160 /nfs/dbraw/zinc/90/01/60/387900160.db2.gz DPFROPYQVJFBJI-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1ncccc1N(C)C ZINC000423121546 387900313 /nfs/dbraw/zinc/90/03/13/387900313.db2.gz IURUNCCFWKWLKV-NSHDSACASA-N 1 3 236.363 1.365 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000423123697 387902708 /nfs/dbraw/zinc/90/27/08/387902708.db2.gz LQJXPXDUDNZSKH-GHMZBOCLSA-N 1 3 214.328 1.986 20 0 BDADHO COCC(C)(C)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423131480 387909739 /nfs/dbraw/zinc/90/97/39/387909739.db2.gz NZFIAGDSKLDWIB-QWRGUYRKSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@H](F)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423131760 387910121 /nfs/dbraw/zinc/91/01/21/387910121.db2.gz ILXQYKAYUCXGMR-AXFHLTTASA-N 1 3 202.317 1.842 20 0 BDADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000423133447 387911866 /nfs/dbraw/zinc/91/18/66/387911866.db2.gz KMNCWPMVABKWOE-RAIGVLPGSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)C1CC1 ZINC000423133447 387911869 /nfs/dbraw/zinc/91/18/69/387911869.db2.gz KMNCWPMVABKWOE-RAIGVLPGSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](F)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423138927 387917182 /nfs/dbraw/zinc/91/71/82/387917182.db2.gz UKLJPHNWMRVWBD-GARJFASQSA-N 1 3 202.317 1.712 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423154815 387933727 /nfs/dbraw/zinc/93/37/27/387933727.db2.gz JYAUPMYJAFKQKF-VHSXEESVSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423154814 387934525 /nfs/dbraw/zinc/93/45/25/387934525.db2.gz JYAUPMYJAFKQKF-UWVGGRQHSA-N 1 3 214.353 1.253 20 0 BDADHO CC/C=C/CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423157326 387935941 /nfs/dbraw/zinc/93/59/41/387935941.db2.gz MORANAVIZTXPDF-FGCBAJGYSA-N 1 3 238.375 1.699 20 0 BDADHO Cc1ncsc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423148414 387924869 /nfs/dbraw/zinc/92/48/69/387924869.db2.gz FVQCVTYTCKXLNR-IUCAKERBSA-N 1 3 227.377 1.709 20 0 BDADHO Cc1ncsc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423148415 387925611 /nfs/dbraw/zinc/92/56/11/387925611.db2.gz FVQCVTYTCKXLNR-RKDXNWHRSA-N 1 3 227.377 1.709 20 0 BDADHO CC[C@H](N[C@H]1CC[C@@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423150108 387927537 /nfs/dbraw/zinc/92/75/37/387927537.db2.gz AXVAMKPXAACZGH-ZOBORPQBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([C@H]1CC[NH2+]C1)N1CCC[C@]2(CCOC2)C1 ZINC000423167115 387952336 /nfs/dbraw/zinc/95/23/36/387952336.db2.gz WMKSVEHKIYIEAZ-RDBSUJKOSA-N 1 3 238.375 1.487 20 0 BDADHO CC1(C)CCCN1CC[NH2+][C@H]1CCC[C@H]1N ZINC000423168336 387952887 /nfs/dbraw/zinc/95/28/87/387952887.db2.gz UKWBBGMRVCDJME-NEPJUHHUSA-N 1 3 225.380 1.330 20 0 BDADHO CCC[C@](C)(N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424223324 387939008 /nfs/dbraw/zinc/93/90/08/387939008.db2.gz LHMFUNXDPWIAKA-AWEZNQCLSA-N 1 3 249.358 1.910 20 0 BDADHO COc1cccnc1CN[C@H](C)CCCC[NH3+] ZINC000423159041 387939042 /nfs/dbraw/zinc/93/90/42/387939042.db2.gz FBIMOIIQZABEOH-LLVKDONJSA-N 1 3 237.347 1.697 20 0 BDADHO C[NH2+]CCCC(=O)Nc1cc(C)cc(CN)c1 ZINC000424229437 387940521 /nfs/dbraw/zinc/94/05/21/387940521.db2.gz YZZWYFFQIUFASC-UHFFFAOYSA-N 1 3 235.331 1.392 20 0 BDADHO Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCCCN2)cn1 ZINC000423159565 387941563 /nfs/dbraw/zinc/94/15/63/387941563.db2.gz FXPVETIJAAMJAA-TZMCWYRMSA-N 1 3 248.374 1.448 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])O1 ZINC000423160781 387941889 /nfs/dbraw/zinc/94/18/89/387941889.db2.gz HVONGXSCTFCEJM-FVCCEPFGSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)[C@@H](C)O1 ZINC000392234623 387942444 /nfs/dbraw/zinc/94/24/44/387942444.db2.gz DDEUKDUHCDJRCV-NQBHXWOUSA-N 1 3 224.348 1.404 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423162089 387943299 /nfs/dbraw/zinc/94/32/99/387943299.db2.gz KHLBDTMVCWBFDD-WUHRBBMRSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000423162304 387943618 /nfs/dbraw/zinc/94/36/18/387943618.db2.gz PAFCCNYHAZZDGV-ZJUUUORDSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)C(C)(C)O ZINC000423162304 387943621 /nfs/dbraw/zinc/94/36/21/387943621.db2.gz PAFCCNYHAZZDGV-ZJUUUORDSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000423163655 387946114 /nfs/dbraw/zinc/94/61/14/387946114.db2.gz RFOATUAFLMFXKC-SDDRHHMPSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCC[C@@H]1O ZINC000423162817 387946720 /nfs/dbraw/zinc/94/67/20/387946720.db2.gz QHFWCOJUYPUTIN-LPWJVIDDSA-N 1 3 226.364 1.125 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000245449876 387949530 /nfs/dbraw/zinc/94/95/30/387949530.db2.gz OCPOSKNVEZFTKM-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000245449876 387949535 /nfs/dbraw/zinc/94/95/35/387949535.db2.gz OCPOSKNVEZFTKM-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423172455 387959815 /nfs/dbraw/zinc/95/98/15/387959815.db2.gz SYZYMNWRSYNGIA-XQQFMLRXSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000423175235 387961951 /nfs/dbraw/zinc/96/19/51/387961951.db2.gz DMIXETXWUMXWIN-XDQVBPFNSA-N 1 3 240.391 1.658 20 0 BDADHO NCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000423179065 387965804 /nfs/dbraw/zinc/96/58/04/387965804.db2.gz CVRNERGYBQTSRH-AWEZNQCLSA-N 1 3 218.344 1.946 20 0 BDADHO CC[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000419316542 387967202 /nfs/dbraw/zinc/96/72/02/387967202.db2.gz XAYVMLLRISSJAA-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000419316542 387967208 /nfs/dbraw/zinc/96/72/08/387967208.db2.gz XAYVMLLRISSJAA-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@@H](CN1CCC[C@H]([NH+](C)C)CC1)OC ZINC000419316542 387967210 /nfs/dbraw/zinc/96/72/10/387967210.db2.gz XAYVMLLRISSJAA-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO CO[C@H](C)[C@@H](C)NCC1([NH3+])CCCCC1 ZINC000423181318 387967487 /nfs/dbraw/zinc/96/74/87/387967487.db2.gz OTZNMYMLNNLEOK-GHMZBOCLSA-N 1 3 214.353 1.661 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423181318 387967492 /nfs/dbraw/zinc/96/74/92/387967492.db2.gz OTZNMYMLNNLEOK-GHMZBOCLSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccco1 ZINC000423185330 387970356 /nfs/dbraw/zinc/97/03/56/387970356.db2.gz VDPNOXWZLHZRKG-GFCCVEGCSA-N 1 3 237.347 1.226 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423192139 387978543 /nfs/dbraw/zinc/97/85/43/387978543.db2.gz PNQPUFPZAPUQDI-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H](CO)C1 ZINC000423195049 387979104 /nfs/dbraw/zinc/97/91/04/387979104.db2.gz XHXBHGXIIPLBJQ-XQHKEYJVSA-N 1 3 226.364 1.125 20 0 BDADHO CCN(CC)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400498999 387979886 /nfs/dbraw/zinc/97/98/86/387979886.db2.gz ICQJSXWDJHIHQM-NWDGAFQWSA-N 1 3 213.369 1.058 20 0 BDADHO C[C@H]1C[N@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000245694979 387973018 /nfs/dbraw/zinc/97/30/18/387973018.db2.gz WSHGXOGVRNIDLX-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H]1C[N@@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000245694979 387973022 /nfs/dbraw/zinc/97/30/22/387973022.db2.gz WSHGXOGVRNIDLX-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CC[C@H](NC[C@@H]1C[C@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188861 387973372 /nfs/dbraw/zinc/97/33/72/387973372.db2.gz QRIQWRFYRWXHDV-NDKCEZKHSA-N 1 3 240.391 1.920 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)[C@@H]1CCCN1 ZINC000423188861 387973377 /nfs/dbraw/zinc/97/33/77/387973377.db2.gz QRIQWRFYRWXHDV-NDKCEZKHSA-N 1 3 240.391 1.920 20 0 BDADHO CC[C@@H]([NH2+]CCCN)C1(C(=O)OC)CCC1 ZINC000423188309 387974177 /nfs/dbraw/zinc/97/41/77/387974177.db2.gz LNQRVTHJDPEBIV-SNVBAGLBSA-N 1 3 228.336 1.047 20 0 BDADHO CC[C@@H](NCCC[NH3+])C1(C(=O)OC)CCC1 ZINC000423188309 387974180 /nfs/dbraw/zinc/97/41/80/387974180.db2.gz LNQRVTHJDPEBIV-SNVBAGLBSA-N 1 3 228.336 1.047 20 0 BDADHO CCCCO[C@@H]1C[C@H](NCC[NH3+])C1(C)C ZINC000423192002 387977735 /nfs/dbraw/zinc/97/77/35/387977735.db2.gz UZDWNJPHHNVZJI-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1[C@@H](NCC[NH3+])C[C@@H]1c1ccccc1 ZINC000423192054 387978402 /nfs/dbraw/zinc/97/84/02/387978402.db2.gz VFGUMCRBKHZFRK-DRZSPHRISA-N 1 3 204.317 1.727 20 0 BDADHO COC[C@@H](CC(C)C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424362578 387990757 /nfs/dbraw/zinc/99/07/57/387990757.db2.gz AHOXXLLPBYZEDP-JHJVBQTASA-N 1 3 228.380 1.907 20 0 BDADHO CNCCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423204564 387990797 /nfs/dbraw/zinc/99/07/97/387990797.db2.gz UTBBRTAPLYBEKE-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423204567 387991799 /nfs/dbraw/zinc/99/17/99/387991799.db2.gz UTBBRTAPLYBEKE-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214329 387997703 /nfs/dbraw/zinc/99/77/03/387997703.db2.gz OQDYPNZMAIBJBW-UPJWGTAASA-N 1 3 237.391 1.201 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423222384 388001398 /nfs/dbraw/zinc/00/13/98/388001398.db2.gz ATFNQHJRHHQZFP-QJPTWQEYSA-N 1 3 228.380 1.905 20 0 BDADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423222384 388001400 /nfs/dbraw/zinc/00/14/00/388001400.db2.gz ATFNQHJRHHQZFP-QJPTWQEYSA-N 1 3 228.380 1.905 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423222387 388002197 /nfs/dbraw/zinc/00/21/97/388002197.db2.gz ATFNQHJRHHQZFP-TUAOUCFPSA-N 1 3 228.380 1.905 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423222387 388002201 /nfs/dbraw/zinc/00/22/01/388002201.db2.gz ATFNQHJRHHQZFP-TUAOUCFPSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)O1 ZINC000424373220 387996553 /nfs/dbraw/zinc/99/65/53/387996553.db2.gz JDMIODVQJYAAPN-LZQZFOIKSA-N 1 3 212.337 1.412 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)Cc1ccoc1)CN(C)C ZINC000453227170 388013352 /nfs/dbraw/zinc/01/33/52/388013352.db2.gz CURABRLIBAITPO-RYUDHWBXSA-N 1 3 224.348 1.998 20 0 BDADHO C[C@@H](CN[C@@H](C)Cc1ccoc1)C[NH+](C)C ZINC000453227170 388013355 /nfs/dbraw/zinc/01/33/55/388013355.db2.gz CURABRLIBAITPO-RYUDHWBXSA-N 1 3 224.348 1.998 20 0 BDADHO C[C@H](C[NH2+][C@H](C)Cc1ccoc1)CN(C)C ZINC000453227172 388013522 /nfs/dbraw/zinc/01/35/22/388013522.db2.gz CURABRLIBAITPO-VXGBXAGGSA-N 1 3 224.348 1.998 20 0 BDADHO C[C@H](CN[C@H](C)Cc1ccoc1)C[NH+](C)C ZINC000453227172 388013527 /nfs/dbraw/zinc/01/35/27/388013527.db2.gz CURABRLIBAITPO-VXGBXAGGSA-N 1 3 224.348 1.998 20 0 BDADHO C[NH2+]CCN[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423228075 388014165 /nfs/dbraw/zinc/01/41/65/388014165.db2.gz YCCAZDZJTJOUQN-DZGCQCFKSA-N 1 3 247.386 1.458 20 0 BDADHO CC[C@@H](NC[C@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423249310 388032236 /nfs/dbraw/zinc/03/22/36/388032236.db2.gz OPFZOBFNLSCNRV-ZNMIVQPWSA-N 1 3 247.386 1.807 20 0 BDADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254054 388034852 /nfs/dbraw/zinc/03/48/52/388034852.db2.gz WWZGUARRXDEGEE-WDEREUQCSA-N 1 3 237.322 1.871 20 0 BDADHO CC[C@@H](NCC[C@H]1CC[NH2+]C1)c1ccn(C)n1 ZINC000423249062 388031657 /nfs/dbraw/zinc/03/16/57/388031657.db2.gz OECHOEUGUAWHBO-VXGBXAGGSA-N 1 3 236.363 1.460 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423273365 388053739 /nfs/dbraw/zinc/05/37/39/388053739.db2.gz KLKBNLSEOJITEF-FDYHWXHSSA-N 1 3 240.391 1.763 20 0 BDADHO COC[C@@H](NC[C@H]([NH3+])C(C)C)C(C)C ZINC000423274188 388054410 /nfs/dbraw/zinc/05/44/10/388054410.db2.gz LNURKHDFWUUESR-WDEREUQCSA-N 1 3 202.342 1.230 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274938 388054585 /nfs/dbraw/zinc/05/45/85/388054585.db2.gz MPHPOEYBYXCOPW-FRRDWIJNSA-N 1 3 248.374 1.868 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@H]1CCOC1 ZINC000423274438 388055558 /nfs/dbraw/zinc/05/55/58/388055558.db2.gz KMUFSTWRWLPBDQ-XDQVBPFNSA-N 1 3 240.391 1.909 20 0 BDADHO CCN(CC)C(=O)C[C@H](C)NC[C@H](C)C[NH2+]C ZINC000423281956 388063256 /nfs/dbraw/zinc/06/32/56/388063256.db2.gz VZVJINYIGPCMGU-NEPJUHHUSA-N 1 3 243.395 1.079 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423287491 388071352 /nfs/dbraw/zinc/07/13/52/388071352.db2.gz MPSZHEIWGAYNHG-YPMHNXCESA-N 1 3 239.407 1.576 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CN(C2CC2)C[C@H]1C ZINC000423287491 388071354 /nfs/dbraw/zinc/07/13/54/388071354.db2.gz MPSZHEIWGAYNHG-YPMHNXCESA-N 1 3 239.407 1.576 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084215799 388073860 /nfs/dbraw/zinc/07/38/60/388073860.db2.gz OFTVTCAOYWIPSP-STQMWFEESA-N 1 3 228.380 1.909 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccncc1 ZINC000084219944 388075526 /nfs/dbraw/zinc/07/55/26/388075526.db2.gz UQTVXDPTYXYGTN-CHWSQXEVSA-N 1 3 219.332 1.341 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423294609 388077117 /nfs/dbraw/zinc/07/71/17/388077117.db2.gz CIZYJGMKTUSDFA-YNEHKIRRSA-N 1 3 239.407 1.719 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423294607 388077247 /nfs/dbraw/zinc/07/72/47/388077247.db2.gz CIZYJGMKTUSDFA-UPJWGTAASA-N 1 3 239.407 1.719 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCOCC1)CN1CCCC1 ZINC000086874593 388109230 /nfs/dbraw/zinc/10/92/30/388109230.db2.gz AWWTWSWUSLPNAS-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CCn1nccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000119151134 388109987 /nfs/dbraw/zinc/10/99/87/388109987.db2.gz UBFLXCUNDUDXKK-LBPRGKRZSA-N 1 3 236.363 1.334 20 0 BDADHO CCn1nccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000119151229 388111510 /nfs/dbraw/zinc/11/15/10/388111510.db2.gz UBFLXCUNDUDXKK-GFCCVEGCSA-N 1 3 236.363 1.334 20 0 BDADHO CC[C@H](Cn1cncn1)N[C@H](C[NH3+])CC(C)C ZINC000423267517 388046015 /nfs/dbraw/zinc/04/60/15/388046015.db2.gz TWHVZEMSLOQNRH-NEPJUHHUSA-N 1 3 239.367 1.020 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H]1CCc2ccccc2OC1 ZINC000423270719 388049069 /nfs/dbraw/zinc/04/90/69/388049069.db2.gz IFVZBQACWNVPPJ-OCCSQVGLSA-N 1 3 248.370 1.825 20 0 BDADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000449569335 388235025 /nfs/dbraw/zinc/23/50/25/388235025.db2.gz BEBNIGLPCXUSRY-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449649048 388248333 /nfs/dbraw/zinc/24/83/33/388248333.db2.gz RLWCDRMTGAQQPF-SRVKXCTJSA-N 1 3 241.379 1.138 20 0 BDADHO CCC1(C)CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000572652207 388362393 /nfs/dbraw/zinc/36/23/93/388362393.db2.gz NIDCODPJCNDPKE-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO CCC1(C)CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000572652207 388362395 /nfs/dbraw/zinc/36/23/95/388362395.db2.gz NIDCODPJCNDPKE-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000300386552 388364378 /nfs/dbraw/zinc/36/43/78/388364378.db2.gz RPHXZEYYFCFFSL-NOOOWODRSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000300386552 388364382 /nfs/dbraw/zinc/36/43/82/388364382.db2.gz RPHXZEYYFCFFSL-NOOOWODRSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300386552 388364384 /nfs/dbraw/zinc/36/43/84/388364384.db2.gz RPHXZEYYFCFFSL-NOOOWODRSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@]1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCCS1 ZINC000327525471 388376907 /nfs/dbraw/zinc/37/69/07/388376907.db2.gz TYBHJMRVQKNIDG-IJLUTSLNSA-N 1 3 226.389 1.423 20 0 BDADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000646578992 388388790 /nfs/dbraw/zinc/38/87/90/388388790.db2.gz MVWDSPPJISVZNJ-CABZTGNLSA-N 1 3 233.315 1.082 20 0 BDADHO C[C@@H](C(=O)Nc1cccc(CN)c1)[C@H](C)[NH3+] ZINC000646579304 388389223 /nfs/dbraw/zinc/38/92/23/388389223.db2.gz VJLXGFDZDKCIDW-BDAKNGLRSA-N 1 3 221.304 1.067 20 0 BDADHO C[NH2+]C[C@H](C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000237124842 388389805 /nfs/dbraw/zinc/38/98/05/388389805.db2.gz UCGHNQIYDJVCKQ-AAEUAGOBSA-N 1 3 249.358 1.048 20 0 BDADHO [NH3+]C1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000300807289 388396361 /nfs/dbraw/zinc/39/63/61/388396361.db2.gz DQXZUCJNEDXWFY-VIFPVBQESA-N 1 3 218.291 1.845 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNCC1(C)C ZINC000300861951 388399750 /nfs/dbraw/zinc/39/97/50/388399750.db2.gz PIUBPIKVNSPJER-QJPTWQEYSA-N 1 3 226.364 1.389 20 0 BDADHO O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825887 388403179 /nfs/dbraw/zinc/40/31/79/388403179.db2.gz ZKZYZLBHTXXBIZ-HZSPNIEDSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825887 388403181 /nfs/dbraw/zinc/40/31/81/388403181.db2.gz ZKZYZLBHTXXBIZ-HZSPNIEDSA-N 1 3 238.375 1.364 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336888320 388429745 /nfs/dbraw/zinc/42/97/45/388429745.db2.gz FFIIVFFWQNUEOZ-AGIUHOORSA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336888320 388429747 /nfs/dbraw/zinc/42/97/47/388429747.db2.gz FFIIVFFWQNUEOZ-AGIUHOORSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOCC1CCC1 ZINC000573197709 388430709 /nfs/dbraw/zinc/43/07/09/388430709.db2.gz VVOMZCCBXFRIMZ-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCOC1 ZINC000352539443 388537565 /nfs/dbraw/zinc/53/75/65/388537565.db2.gz ARQXCBPDXMYGQI-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000352539443 388537569 /nfs/dbraw/zinc/53/75/69/388537569.db2.gz ARQXCBPDXMYGQI-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000517177116 388540719 /nfs/dbraw/zinc/54/07/19/388540719.db2.gz WDDIIHURZIEMNI-WXHSDQCUSA-N 1 3 236.363 1.211 20 0 BDADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000517177116 388540721 /nfs/dbraw/zinc/54/07/21/388540721.db2.gz WDDIIHURZIEMNI-WXHSDQCUSA-N 1 3 236.363 1.211 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000397787272 388499095 /nfs/dbraw/zinc/49/90/95/388499095.db2.gz RDUAVVDWTREICH-XQQFMLRXSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397860846 388507052 /nfs/dbraw/zinc/50/70/52/388507052.db2.gz YEABWGIHOOOONL-NWDGAFQWSA-N 1 3 225.380 1.010 20 0 BDADHO Cc1ccc(CCCN2CCC[C@@H](C[NH3+])C2)cn1 ZINC000517030086 388533453 /nfs/dbraw/zinc/53/34/53/388533453.db2.gz NBGAEDUZEIDJEV-HNNXBMFYSA-N 1 3 247.386 1.993 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000352539441 388537018 /nfs/dbraw/zinc/53/70/18/388537018.db2.gz ARQXCBPDXMYGQI-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000352539441 388537021 /nfs/dbraw/zinc/53/70/21/388537021.db2.gz ARQXCBPDXMYGQI-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@](C)(O)C1 ZINC000245570697 388590838 /nfs/dbraw/zinc/59/08/38/388590838.db2.gz GOHGRIBFTPUJTC-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@](C)(O)C1 ZINC000245570697 388590839 /nfs/dbraw/zinc/59/08/39/388590839.db2.gz GOHGRIBFTPUJTC-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C[C@@H]1C ZINC000220374504 388603509 /nfs/dbraw/zinc/60/35/09/388603509.db2.gz QAZVJORZQAIJIY-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C[C@@H]1C ZINC000220374504 388603511 /nfs/dbraw/zinc/60/35/11/388603511.db2.gz QAZVJORZQAIJIY-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)C[C@H]1C)C1CC1 ZINC000360930397 388559934 /nfs/dbraw/zinc/55/99/34/388559934.db2.gz LGBUDZLQQIVVFD-TZMCWYRMSA-N 1 3 239.407 1.401 20 0 BDADHO C[N@@H+]1CCC[C@@H](CNCc2cc[nH]c2)C1 ZINC000080773993 388561121 /nfs/dbraw/zinc/56/11/21/388561121.db2.gz LVUNADXCCSYKGH-LBPRGKRZSA-N 1 3 207.321 1.446 20 0 BDADHO C[N@H+]1CCC[C@@H](CNCc2cc[nH]c2)C1 ZINC000080773993 388561123 /nfs/dbraw/zinc/56/11/23/388561123.db2.gz LVUNADXCCSYKGH-LBPRGKRZSA-N 1 3 207.321 1.446 20 0 BDADHO CCN(CC)CCC[N@H+](C)C1CCOCC1 ZINC000549140106 388573210 /nfs/dbraw/zinc/57/32/10/388573210.db2.gz ZJDWFAZNWMFXPK-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C1CCOCC1 ZINC000549140106 388573213 /nfs/dbraw/zinc/57/32/13/388573213.db2.gz ZJDWFAZNWMFXPK-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CC[NH+](CC)CCCN(C)C1CCOCC1 ZINC000549140106 388573214 /nfs/dbraw/zinc/57/32/14/388573214.db2.gz ZJDWFAZNWMFXPK-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCOC)[C@@H](C)C1 ZINC000245422676 388577660 /nfs/dbraw/zinc/57/76/60/388577660.db2.gz JAWICQBOHYXGHG-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCOC)[C@@H](C)C1 ZINC000245422676 388577661 /nfs/dbraw/zinc/57/76/61/388577661.db2.gz JAWICQBOHYXGHG-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO Cn1ccc(CNC[C@H]2CCC[N@H+](C)C2)c1 ZINC000085591141 388670609 /nfs/dbraw/zinc/67/06/09/388670609.db2.gz UOJCBXMWNKUPFS-GFCCVEGCSA-N 1 3 221.348 1.457 20 0 BDADHO Cn1ccc(CNC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000085591141 388670611 /nfs/dbraw/zinc/67/06/11/388670611.db2.gz UOJCBXMWNKUPFS-GFCCVEGCSA-N 1 3 221.348 1.457 20 0 BDADHO CC[NH+](CC)CCCN(C)CCN(C)C1CC1 ZINC000191839728 388671667 /nfs/dbraw/zinc/67/16/67/388671667.db2.gz RMRIPSDGAWOTBW-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CCC[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192727505 388682861 /nfs/dbraw/zinc/68/28/61/388682861.db2.gz LFMRXPKFNNWSPY-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CCC[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192727505 388682862 /nfs/dbraw/zinc/68/28/62/388682862.db2.gz LFMRXPKFNNWSPY-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccccc1CO ZINC000521609705 388618750 /nfs/dbraw/zinc/61/87/50/388618750.db2.gz IJVXIFZYRBGXMP-BXUZGUMPSA-N 1 3 234.343 1.396 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000139060434 388624415 /nfs/dbraw/zinc/62/44/15/388624415.db2.gz FYYXIQVNTHLKKT-ZDUSSCGKSA-N 1 3 238.379 1.593 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CNC1 ZINC000530210050 388628316 /nfs/dbraw/zinc/62/83/16/388628316.db2.gz KTAQMTQDZWSACZ-WHOHXGKFSA-N 1 3 208.349 1.620 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000530220020 388631809 /nfs/dbraw/zinc/63/18/09/388631809.db2.gz AYDQNHJYUZHNFU-ZNSCXOEOSA-N 1 3 214.353 1.514 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@H]2CCOC2)[C@@H](C)C1 ZINC000247269752 388662048 /nfs/dbraw/zinc/66/20/48/388662048.db2.gz ZXVVOTLLGNNSHJ-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@H]2CCOC2)[C@@H](C)C1 ZINC000247269752 388662050 /nfs/dbraw/zinc/66/20/50/388662050.db2.gz ZXVVOTLLGNNSHJ-SRVKXCTJSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000251576137 388749610 /nfs/dbraw/zinc/74/96/10/388749610.db2.gz AWDCCQXHLOSCJY-SNPRPXQTSA-N 1 3 248.370 1.402 20 0 BDADHO C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000251576137 388749611 /nfs/dbraw/zinc/74/96/11/388749611.db2.gz AWDCCQXHLOSCJY-SNPRPXQTSA-N 1 3 248.370 1.402 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000248988739 388703850 /nfs/dbraw/zinc/70/38/50/388703850.db2.gz FMKXEJQQRWZMNJ-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000248988739 388703853 /nfs/dbraw/zinc/70/38/53/388703853.db2.gz FMKXEJQQRWZMNJ-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000248988739 388703855 /nfs/dbraw/zinc/70/38/55/388703855.db2.gz FMKXEJQQRWZMNJ-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249365723 388717799 /nfs/dbraw/zinc/71/77/99/388717799.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249365723 388717801 /nfs/dbraw/zinc/71/78/01/388717801.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000249365723 388717802 /nfs/dbraw/zinc/71/78/02/388717802.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000249365723 388717804 /nfs/dbraw/zinc/71/78/04/388717804.db2.gz MJINACIOYSNHCZ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000253025234 388797347 /nfs/dbraw/zinc/79/73/47/388797347.db2.gz MTXXITMGMXJCKE-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000253025234 388797352 /nfs/dbraw/zinc/79/73/52/388797352.db2.gz MTXXITMGMXJCKE-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO CSC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703290 388772256 /nfs/dbraw/zinc/77/22/56/388772256.db2.gz QIMFCPBUIWBUOP-TUAOUCFPSA-N 1 3 228.405 1.954 20 0 BDADHO CSC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703290 388772260 /nfs/dbraw/zinc/77/22/60/388772260.db2.gz QIMFCPBUIWBUOP-TUAOUCFPSA-N 1 3 228.405 1.954 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000252715987 388774733 /nfs/dbraw/zinc/77/47/33/388774733.db2.gz XIETVBQAYCZECT-CHWSQXEVSA-N 1 3 227.396 1.258 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000252760554 388781860 /nfs/dbraw/zinc/78/18/60/388781860.db2.gz MFIBJVDGBHCERW-MMWGEVLESA-N 1 3 200.326 1.005 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000252760554 388781863 /nfs/dbraw/zinc/78/18/63/388781863.db2.gz MFIBJVDGBHCERW-MMWGEVLESA-N 1 3 200.326 1.005 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2CCN(C)CC2)CCN1C ZINC000093978069 388856589 /nfs/dbraw/zinc/85/65/89/388856589.db2.gz AHOYTSCOKMUKDO-WCQYABFASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCN2CCCC2)CCN1C ZINC000129731817 388868380 /nfs/dbraw/zinc/86/83/80/388868380.db2.gz NWNMNMZTWHLIBD-QWHCGFSZSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2)CCN1C ZINC000129810711 388871563 /nfs/dbraw/zinc/87/15/63/388871563.db2.gz JJAIQDMKPHJXOE-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000153360744 388966698 /nfs/dbraw/zinc/96/66/98/388966698.db2.gz WYHFLRGKIWMARJ-VXGBXAGGSA-N 1 3 214.353 1.200 20 0 BDADHO C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000334321212 533360392 /nfs/dbraw/zinc/36/03/92/533360392.db2.gz HTIRTGKIYJBANE-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO C([NH2+]C[C@H]1CCCNC1)C1CCOCC1 ZINC000087647232 533368016 /nfs/dbraw/zinc/36/80/16/533368016.db2.gz XDJDKMKUIGEZSA-LBPRGKRZSA-N 1 3 212.337 1.002 20 0 BDADHO C[C@@H](N[C@@H](C)[C@H]1CC[NH2+]C1)[C@@H]1CCCCO1 ZINC000400377115 533501981 /nfs/dbraw/zinc/50/19/81/533501981.db2.gz IYKRVJPYXIVNFM-RNJOBUHISA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@@H](CO)N1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274931741 132204433 /nfs/dbraw/zinc/20/44/33/132204433.db2.gz QZQZBISAQFVBCS-ZDUSSCGKSA-N 1 3 249.358 1.283 20 0 BDADHO Cc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)cc[nH+]1 ZINC000336626364 132249158 /nfs/dbraw/zinc/24/91/58/132249158.db2.gz XBVVYVYSCAOOSS-NEPJUHHUSA-N 1 3 219.332 1.919 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000335951364 134021845 /nfs/dbraw/zinc/02/18/45/134021845.db2.gz SFBMIWNZMOVQEQ-GXTWGEPZSA-N 1 3 239.407 1.399 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573298 134226718 /nfs/dbraw/zinc/22/67/18/134226718.db2.gz KUHWQPBHAIGDHY-NWDGAFQWSA-N 1 3 226.364 1.256 20 0 BDADHO Cc1nn(C)cc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000168681248 134241765 /nfs/dbraw/zinc/24/17/65/134241765.db2.gz YFFBARRGKHVFLG-DGCLKSJQSA-N 1 3 236.363 1.336 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)C1CC1 ZINC000177302932 134299382 /nfs/dbraw/zinc/29/93/82/134299382.db2.gz JSQQLKNZPOZIKC-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CSCC[C@H](C)[N@H+](C)CC(C)(C)N ZINC000220376991 134305865 /nfs/dbraw/zinc/30/58/65/134305865.db2.gz MEWOGGZDPRZGLL-VIFPVBQESA-N 1 3 204.383 1.797 20 0 BDADHO CSCC[C@H](C)[N@@H+](C)CC(C)(C)N ZINC000220376991 134305866 /nfs/dbraw/zinc/30/58/66/134305866.db2.gz MEWOGGZDPRZGLL-VIFPVBQESA-N 1 3 204.383 1.797 20 0 BDADHO C[C@H](CC[NH3+])NCc1ccc2c[nH]nc2c1 ZINC000220532019 134309775 /nfs/dbraw/zinc/30/97/75/134309775.db2.gz XHJVMNKEUFYHBZ-SECBINFHSA-N 1 3 218.304 1.390 20 0 BDADHO NCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000220811819 134315932 /nfs/dbraw/zinc/31/59/32/134315932.db2.gz XHAAHSXDNIMRRK-UHFFFAOYSA-N 1 3 233.359 1.594 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000222910618 134335985 /nfs/dbraw/zinc/33/59/85/134335985.db2.gz YUMQSZFHNVZGQL-FRRDWIJNSA-N 1 3 227.396 1.399 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224378984 134346285 /nfs/dbraw/zinc/34/62/85/134346285.db2.gz CVJAHRYAGMZDNM-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO CCCC[C@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000225871265 134355995 /nfs/dbraw/zinc/35/59/95/134355995.db2.gz NSIXRYRQNBQZQW-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745138 134370649 /nfs/dbraw/zinc/37/06/49/134370649.db2.gz DHBJZWXZOPLNFW-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO COCC[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227222971 134376229 /nfs/dbraw/zinc/37/62/29/134376229.db2.gz DQOPOMRUZYOSCI-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000227222971 134376230 /nfs/dbraw/zinc/37/62/30/134376230.db2.gz DQOPOMRUZYOSCI-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000227222971 134376231 /nfs/dbraw/zinc/37/62/31/134376231.db2.gz DQOPOMRUZYOSCI-GARJFASQSA-N 1 3 200.326 1.081 20 0 BDADHO CC1CCN(CCC[NH2+]CC2(C)COC2)CC1 ZINC000227518512 134382357 /nfs/dbraw/zinc/38/23/57/134382357.db2.gz UOCSVNJUSVEPSB-UHFFFAOYSA-N 1 3 240.391 1.735 20 0 BDADHO CC1CC[NH+](CCCNCC2(C)COC2)CC1 ZINC000227518512 134382358 /nfs/dbraw/zinc/38/23/58/134382358.db2.gz UOCSVNJUSVEPSB-UHFFFAOYSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000192604239 134587270 /nfs/dbraw/zinc/58/72/70/134587270.db2.gz JUWYQFPONZWPOL-MQYQWHSLSA-N 1 3 240.391 1.874 20 0 BDADHO C(CN1CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250834358 135060196 /nfs/dbraw/zinc/06/01/96/135060196.db2.gz KJPGZQRINNWLQT-KGLIPLIRSA-N 1 3 237.391 1.299 20 0 BDADHO C(CN1CCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250834358 135060198 /nfs/dbraw/zinc/06/01/98/135060198.db2.gz KJPGZQRINNWLQT-KGLIPLIRSA-N 1 3 237.391 1.299 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251059033 135062021 /nfs/dbraw/zinc/06/20/21/135062021.db2.gz HNZZFHSYVRSVSB-YVECIDJPSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](c1cccs1)N(C)CCOCC[NH3+] ZINC000086435530 135084019 /nfs/dbraw/zinc/08/40/19/135084019.db2.gz LBMHSHKYVGIMMW-SNVBAGLBSA-N 1 3 228.361 1.716 20 0 BDADHO CCSCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000252696684 135096791 /nfs/dbraw/zinc/09/67/91/135096791.db2.gz BUYKMHWTIYKDDE-NXEZZACHSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000252696684 135096793 /nfs/dbraw/zinc/09/67/93/135096793.db2.gz BUYKMHWTIYKDDE-NXEZZACHSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000252696684 135096794 /nfs/dbraw/zinc/09/67/94/135096794.db2.gz BUYKMHWTIYKDDE-NXEZZACHSA-N 1 3 202.367 1.409 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252689864 135097028 /nfs/dbraw/zinc/09/70/28/135097028.db2.gz SLDVMTLEWAVPDO-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCO[C@H]2C)C1 ZINC000252689864 135097029 /nfs/dbraw/zinc/09/70/29/135097029.db2.gz SLDVMTLEWAVPDO-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCO[C@H]2C)C1 ZINC000252689864 135097031 /nfs/dbraw/zinc/09/70/31/135097031.db2.gz SLDVMTLEWAVPDO-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)[C@@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253033110 135119709 /nfs/dbraw/zinc/11/97/09/135119709.db2.gz UIPBSPNWBAOSOY-MCIONIFRSA-N 1 3 242.407 1.904 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000261528385 135153719 /nfs/dbraw/zinc/15/37/19/135153719.db2.gz LDITTWBDXHXOMJ-MXWKQRLJSA-N 1 3 214.378 1.599 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000261529452 135155469 /nfs/dbraw/zinc/15/54/69/135155469.db2.gz SGJATRYICFSJCS-GMTAPVOTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCSC1 ZINC000261529452 135155470 /nfs/dbraw/zinc/15/54/70/135155470.db2.gz SGJATRYICFSJCS-GMTAPVOTSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261530137 135157107 /nfs/dbraw/zinc/15/71/07/135157107.db2.gz CBVLBBYWTZOBLK-TUAOUCFPSA-N 1 3 228.405 1.799 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261530137 135157109 /nfs/dbraw/zinc/15/71/09/135157109.db2.gz CBVLBBYWTZOBLK-TUAOUCFPSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@H](COC)NC[C@H]1CCC[NH2+]C1 ZINC000087647343 135161021 /nfs/dbraw/zinc/16/10/21/135161021.db2.gz OJJMUJLZDZGFOM-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@H]1CCCNC1 ZINC000087647343 135161023 /nfs/dbraw/zinc/16/10/23/135161023.db2.gz OJJMUJLZDZGFOM-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@]1(CN2CCCC3(CC3)C2)CC[NH2+]C1 ZINC000261532873 135163986 /nfs/dbraw/zinc/16/39/86/135163986.db2.gz ANZZJBGIUMWINI-GFCCVEGCSA-N 1 3 208.349 1.862 20 0 BDADHO C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2CCOC2)C1 ZINC000087784576 135169473 /nfs/dbraw/zinc/16/94/73/135169473.db2.gz SHPHRNBJMHHZFP-MROQNXINSA-N 1 3 224.348 1.286 20 0 BDADHO CCOC[C@@H]1CC[N@H+](CC(C)(C)N)C1 ZINC000261536075 135171344 /nfs/dbraw/zinc/17/13/44/135171344.db2.gz QHCDBNJAWAVDCK-SNVBAGLBSA-N 1 3 200.326 1.082 20 0 BDADHO CCOC[C@@H]1CC[N@@H+](CC(C)(C)N)C1 ZINC000261536075 135171345 /nfs/dbraw/zinc/17/13/45/135171345.db2.gz QHCDBNJAWAVDCK-SNVBAGLBSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCOCC2CC2)C1 ZINC000261551041 135189985 /nfs/dbraw/zinc/18/99/85/135189985.db2.gz PZWIUMPATRHCCO-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1cnn(CCN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000261556403 135196339 /nfs/dbraw/zinc/19/63/39/135196339.db2.gz QNZYYPSDVMVFGV-STQMWFEESA-N 1 3 236.363 1.108 20 0 BDADHO COC[C@@]1(CNC2CCCCC2)CCC[NH2+]1 ZINC000261568177 135210803 /nfs/dbraw/zinc/21/08/03/135210803.db2.gz FKPKDCIXSYZMNC-ZDUSSCGKSA-N 1 3 226.364 1.677 20 0 BDADHO Nc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000261582771 135223159 /nfs/dbraw/zinc/22/31/59/135223159.db2.gz OQYQWTNCBYCTBV-UHFFFAOYSA-N 1 3 205.305 1.240 20 0 BDADHO CCC1(CN[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000261587996 135229003 /nfs/dbraw/zinc/22/90/03/135229003.db2.gz SCPLQBHOLVSXRX-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@@H](c1ccccc1)N(C)CCOCC[NH3+] ZINC000261589056 135230061 /nfs/dbraw/zinc/23/00/61/135230061.db2.gz SWASEGDTZALRMG-LBPRGKRZSA-N 1 3 222.332 1.655 20 0 BDADHO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261547805 135241113 /nfs/dbraw/zinc/24/11/13/135241113.db2.gz IOQJGLFXHJDNTG-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261547805 135241116 /nfs/dbraw/zinc/24/11/16/135241116.db2.gz IOQJGLFXHJDNTG-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)N)CC(C)C ZINC000164408103 135243098 /nfs/dbraw/zinc/24/30/98/135243098.db2.gz AEMXVPOJXPEKDM-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000261731074 135248169 /nfs/dbraw/zinc/24/81/69/135248169.db2.gz HECVDVHFVAHRKL-KGLIPLIRSA-N 1 3 237.391 1.155 20 0 BDADHO Cc1noc(C)c1CNC[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261728454 135248432 /nfs/dbraw/zinc/24/84/32/135248432.db2.gz NZYUNJSRWRWYMM-CABZTGNLSA-N 1 3 237.347 1.769 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCc1cccc(N)c1 ZINC000261740676 135249114 /nfs/dbraw/zinc/24/91/14/135249114.db2.gz UYSQVJFZDKDZRE-ZDUSSCGKSA-N 1 3 221.348 1.732 20 0 BDADHO CC[NH2+][C@H](C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000262321177 135293072 /nfs/dbraw/zinc/29/30/72/135293072.db2.gz CIVQKFNODMDIJH-YPMHNXCESA-N 1 3 249.358 1.191 20 0 BDADHO N[C@H](CNC(=O)C1([NH3+])CCCC1)c1ccccc1 ZINC000262404649 135295179 /nfs/dbraw/zinc/29/51/79/135295179.db2.gz ARXCVRXEZXDYAL-GFCCVEGCSA-N 1 3 247.342 1.074 20 0 BDADHO N[C@H](CC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342608249 135302687 /nfs/dbraw/zinc/30/26/87/135302687.db2.gz POOAWBGGFCHXKT-GFCCVEGCSA-N 1 3 247.342 1.074 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342716754 135313741 /nfs/dbraw/zinc/31/37/41/135313741.db2.gz DRGSKJLDWWIFMA-DGCLKSJQSA-N 1 3 241.379 1.010 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000263308102 135346201 /nfs/dbraw/zinc/34/62/01/135346201.db2.gz OUOZOEHBJNMIBE-ZDUSSCGKSA-N 1 3 241.379 1.010 20 0 BDADHO Cc1nc(C)c(C[NH2+]CCCN(C)C)s1 ZINC000076865082 135391455 /nfs/dbraw/zinc/39/14/55/135391455.db2.gz PQUAPTFRYFLUSD-UHFFFAOYSA-N 1 3 227.377 1.801 20 0 BDADHO C1C[C@H]([NH2+][C@@H]2CCNC2)C2(C1)CCOCC2 ZINC000335023210 135879887 /nfs/dbraw/zinc/87/98/87/135879887.db2.gz PKWSCETUJGNNBY-NEPJUHHUSA-N 1 3 224.348 1.287 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000335592640 136104084 /nfs/dbraw/zinc/10/40/84/136104084.db2.gz RNUZEACKQVYZAW-PHIMTYICSA-N 1 3 233.315 1.130 20 0 BDADHO CCC(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422860800 397758075 /nfs/dbraw/zinc/75/80/75/397758075.db2.gz NCMSDKJTIZJJAM-RAIGVLPGSA-N 1 3 228.380 1.765 20 0 BDADHO CC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OC ZINC000310419286 397883035 /nfs/dbraw/zinc/88/30/35/397883035.db2.gz NXGFSTFYWAASPE-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@H]1C)CN1CCCC1 ZINC000120312301 397995993 /nfs/dbraw/zinc/99/59/93/397995993.db2.gz YLYPPTXFQGVXON-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](CN[C@H]1CCO[C@H]1C)C[NH+]1CCCC1 ZINC000120312301 397995998 /nfs/dbraw/zinc/99/59/98/397995998.db2.gz YLYPPTXFQGVXON-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1CN(CC)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649622767 398007112 /nfs/dbraw/zinc/00/71/12/398007112.db2.gz UFMBOEIMQBBJAV-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H]1CN(CC)CCN1C[C@H]1CCC[N@H+]1C ZINC000649622767 398007115 /nfs/dbraw/zinc/00/71/15/398007115.db2.gz UFMBOEIMQBBJAV-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCC(O)(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000344546896 398081402 /nfs/dbraw/zinc/08/14/02/398081402.db2.gz IAFFXXOSMZFQHX-CYBMUJFWSA-N 1 3 238.375 1.389 20 0 BDADHO CCOC[C@@H](C)N[C@H](C[NH3+])CC(C)C ZINC000414831552 398050809 /nfs/dbraw/zinc/05/08/09/398050809.db2.gz CLULFWRCDSJLAF-MNOVXSKESA-N 1 3 202.342 1.374 20 0 BDADHO C[N@H+](C[C@@H](O)CNCC1(C(F)F)CC1)C1CC1 ZINC000566123374 398097440 /nfs/dbraw/zinc/09/74/40/398097440.db2.gz IPYVKQNFIPPSSF-JTQLQIEISA-N 1 3 248.317 1.076 20 0 BDADHO C[N@@H+](C[C@@H](O)CNCC1(C(F)F)CC1)C1CC1 ZINC000566123374 398097443 /nfs/dbraw/zinc/09/74/43/398097443.db2.gz IPYVKQNFIPPSSF-JTQLQIEISA-N 1 3 248.317 1.076 20 0 BDADHO CS[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000090725065 398111556 /nfs/dbraw/zinc/11/15/56/398111556.db2.gz NMKKRVILNCXHMV-IJLUTSLNSA-N 1 3 228.405 1.954 20 0 BDADHO CS[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090725065 398111559 /nfs/dbraw/zinc/11/15/59/398111559.db2.gz NMKKRVILNCXHMV-IJLUTSLNSA-N 1 3 228.405 1.954 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000515054255 398131794 /nfs/dbraw/zinc/13/17/94/398131794.db2.gz DJSTWEFYYGQLPZ-FRRDWIJNSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000515054255 398131795 /nfs/dbraw/zinc/13/17/95/398131795.db2.gz DJSTWEFYYGQLPZ-FRRDWIJNSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000515054255 398131797 /nfs/dbraw/zinc/13/17/97/398131797.db2.gz DJSTWEFYYGQLPZ-FRRDWIJNSA-N 1 3 228.380 1.466 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414948257 398121818 /nfs/dbraw/zinc/12/18/18/398121818.db2.gz LYHVJAXHLXMOIQ-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000532291115 487602039 /nfs/dbraw/zinc/60/20/39/487602039.db2.gz HYHXUJUGUIIRMQ-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000532291115 487602042 /nfs/dbraw/zinc/60/20/42/487602042.db2.gz HYHXUJUGUIIRMQ-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532291115 487602043 /nfs/dbraw/zinc/60/20/43/487602043.db2.gz HYHXUJUGUIIRMQ-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1ccncc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000162657104 487607915 /nfs/dbraw/zinc/60/79/15/487607915.db2.gz YGJNSJNUMYWQSO-OCCSQVGLSA-N 1 3 233.359 1.997 20 0 BDADHO CC[N@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254721 409551212 /nfs/dbraw/zinc/55/12/12/409551212.db2.gz KCNGUUUKCPSGES-LBPRGKRZSA-N 1 3 224.348 1.239 20 0 BDADHO CC[N@@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662254721 409551220 /nfs/dbraw/zinc/55/12/20/409551220.db2.gz KCNGUUUKCPSGES-LBPRGKRZSA-N 1 3 224.348 1.239 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000662255355 409553438 /nfs/dbraw/zinc/55/34/38/409553438.db2.gz OSMFCFXVUMGXMX-UPJWGTAASA-N 1 3 236.359 1.239 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(CCO[C@@H]2CC2(F)F)C1 ZINC000662270691 409575285 /nfs/dbraw/zinc/57/52/85/409575285.db2.gz CAUWONBMRWMYCK-WDEREUQCSA-N 1 3 248.317 1.471 20 0 BDADHO CN(CC[C@@H]1CCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000662276525 409589023 /nfs/dbraw/zinc/58/90/23/409589023.db2.gz JTKPAWSVUGXLLS-KBPBESRZSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](O)CN ZINC000662276525 409589030 /nfs/dbraw/zinc/58/90/30/409589030.db2.gz JTKPAWSVUGXLLS-KBPBESRZSA-N 1 3 248.370 1.358 20 0 BDADHO C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](O)CN ZINC000662276525 409589035 /nfs/dbraw/zinc/58/90/35/409589035.db2.gz JTKPAWSVUGXLLS-KBPBESRZSA-N 1 3 248.370 1.358 20 0 BDADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](N)C(C)C ZINC000653211291 410165071 /nfs/dbraw/zinc/16/50/71/410165071.db2.gz SMEFGUAROBRGAA-CYBMUJFWSA-N 1 3 249.358 1.006 20 0 BDADHO COC1CCC([NH2+]CC[C@@H](N)C(C)C)CC1 ZINC000663502622 410277897 /nfs/dbraw/zinc/27/78/97/410277897.db2.gz JBKGMCQQSRMROX-WXRRBKDZSA-N 1 3 228.380 1.907 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CCC2(C[NH3+])CC2)n1 ZINC000650712692 410345683 /nfs/dbraw/zinc/34/56/83/410345683.db2.gz PYHQKFQJIFZEOD-UHFFFAOYSA-N 1 3 235.331 1.314 20 0 BDADHO CC(C)C[C@@H](N)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000650714778 410348200 /nfs/dbraw/zinc/34/82/00/410348200.db2.gz BNXQJFWYKVDETP-GXTWGEPZSA-N 1 3 242.407 1.700 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCO[C@@H]1C ZINC000650719468 410358397 /nfs/dbraw/zinc/35/83/97/410358397.db2.gz RCAYVAWJYSVVSB-BXUZGUMPSA-N 1 3 234.343 1.673 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000650742957 410377057 /nfs/dbraw/zinc/37/70/57/410377057.db2.gz JADGOAOMJBMBCS-ZIQFBCGOSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CNc2ccccc2C1 ZINC000650747462 410387120 /nfs/dbraw/zinc/38/71/20/410387120.db2.gz AKGHBJDWZDZHAG-GMXVVIOVSA-N 1 3 233.359 1.739 20 0 BDADHO CO[C@H](C)[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650753678 410397578 /nfs/dbraw/zinc/39/75/78/410397578.db2.gz SRNYWFOGZDQIEU-NXEZZACHSA-N 1 3 240.322 1.797 20 0 BDADHO COCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309296635 410745864 /nfs/dbraw/zinc/74/58/64/410745864.db2.gz XFFIJJGJVUZHIY-AVGNSLFASA-N 1 3 226.364 1.472 20 0 BDADHO COCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000309296635 410745869 /nfs/dbraw/zinc/74/58/69/410745869.db2.gz XFFIJJGJVUZHIY-AVGNSLFASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H]([NH2+]CC[C@@H](N)C(C)C)[C@@H]1CCOC1 ZINC000665280820 410756685 /nfs/dbraw/zinc/75/66/85/410756685.db2.gz MJCFIGWPKDYYPJ-UPJWGTAASA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H]1CCCO1 ZINC000665282384 410760160 /nfs/dbraw/zinc/76/01/60/410760160.db2.gz WTDJSUXIZRFQSW-UTUOFQBUSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)OCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360566902 167216098 /nfs/dbraw/zinc/21/60/98/167216098.db2.gz BNWRVRDTIHVREJ-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000160036457 167243944 /nfs/dbraw/zinc/24/39/44/167243944.db2.gz QDYZAWZNAVAKBX-MJBXVCDLSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](CCCCO)[NH2+]CCCNC1CC1 ZINC000398480000 410967564 /nfs/dbraw/zinc/96/75/64/410967564.db2.gz LMPOYKBJRCGHBA-NSHDSACASA-N 1 3 214.353 1.269 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H](CO)CCF)CC1 ZINC000652020117 411021017 /nfs/dbraw/zinc/02/10/17/411021017.db2.gz LCKSSVDRKFIJJS-GFCCVEGCSA-N 1 3 232.343 1.169 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCCOC1 ZINC000651865717 411147602 /nfs/dbraw/zinc/14/76/02/411147602.db2.gz FQQFBDAOBAEHHE-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1N ZINC000400675940 411158762 /nfs/dbraw/zinc/15/87/62/411158762.db2.gz UZWHSHJJBILITO-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@@H]1N ZINC000400675940 411158765 /nfs/dbraw/zinc/15/87/65/411158765.db2.gz UZWHSHJJBILITO-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000400675940 411158769 /nfs/dbraw/zinc/15/87/69/411158769.db2.gz UZWHSHJJBILITO-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO Cc1ncc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000400995672 411168555 /nfs/dbraw/zinc/16/85/55/411168555.db2.gz IQHHZJHJIRFEEI-QJPTWQEYSA-N 1 3 235.331 1.461 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000656197438 411203165 /nfs/dbraw/zinc/20/31/65/411203165.db2.gz JDIJCPILGFTLIW-XQHKEYJVSA-N 1 3 226.364 1.661 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCn3ccnc3C2)C1 ZINC000656197939 411203197 /nfs/dbraw/zinc/20/31/97/411203197.db2.gz FFYHBOYIOIHERD-GRYCIOLGSA-N 1 3 234.347 1.057 20 0 BDADHO CCN(CC)CCC[N@H+](C[C@@H](C)O)C1CC1 ZINC000653901800 411217034 /nfs/dbraw/zinc/21/70/34/411217034.db2.gz DWWVHQCTORRBQS-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653901800 411217035 /nfs/dbraw/zinc/21/70/35/411217035.db2.gz DWWVHQCTORRBQS-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CS[C@H](C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422940536 411234790 /nfs/dbraw/zinc/23/47/90/411234790.db2.gz SYYPEWVCCVDVSY-GMTAPVOTSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H](CCCc1cccnc1)[NH2+][C@H](C)C1CNC1 ZINC000423173205 411236110 /nfs/dbraw/zinc/23/61/10/411236110.db2.gz XLJHKANPBTZJRC-CHWSQXEVSA-N 1 3 247.386 1.990 20 0 BDADHO CC[NH+]1CCC(NCCO[C@H]2CC2(F)F)CC1 ZINC000658167519 411278360 /nfs/dbraw/zinc/27/83/60/411278360.db2.gz UWGSDJTUVBUAHM-NSHDSACASA-N 1 3 248.317 1.485 20 0 BDADHO CCC[C@@H](CNCCC[NH+](C)C)OC ZINC000382329261 411289539 /nfs/dbraw/zinc/28/95/39/411289539.db2.gz VYKGAMGTKYZGET-NSHDSACASA-N 1 3 202.342 1.343 20 0 BDADHO C[C@@H](CNC[C@@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783968 411360901 /nfs/dbraw/zinc/36/09/01/411360901.db2.gz WXRSRTMXUOKTBK-JSGCOSHPSA-N 1 3 233.359 1.774 20 0 BDADHO C[C@@H]1CNC[C@H]([NH2+][C@@H]2CCc3cc(N)ccc32)C1 ZINC000656791891 411372235 /nfs/dbraw/zinc/37/22/35/411372235.db2.gz MSGWFCKXDOLPEA-PSOPSSQASA-N 1 3 245.370 1.844 20 0 BDADHO C[C@@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1CCN ZINC000404299987 411390180 /nfs/dbraw/zinc/39/01/80/411390180.db2.gz PRSCZFWEAOYPPG-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1CCN ZINC000404299987 411390181 /nfs/dbraw/zinc/39/01/81/411390181.db2.gz PRSCZFWEAOYPPG-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)[NH2+]Cc1cccc2c1CCNC2 ZINC000125648352 411391380 /nfs/dbraw/zinc/39/13/80/411391380.db2.gz CTDTXCJWKVFNCT-UHFFFAOYSA-N 1 3 204.317 1.830 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404491662 411399392 /nfs/dbraw/zinc/39/93/92/411399392.db2.gz BGEWAIGNIFYKKZ-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404491662 411399397 /nfs/dbraw/zinc/39/93/97/411399397.db2.gz BGEWAIGNIFYKKZ-AGIUHOORSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H](c1ccncc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000122326245 411428149 /nfs/dbraw/zinc/42/81/49/411428149.db2.gz RGLYGXPXPRZNHJ-WOPDTQHZSA-N 1 3 219.332 1.812 20 0 BDADHO CCC[C@H](C)C[N@@H+]1C[C@@H](CN)[C@H](OCC)C1 ZINC000405832184 411442733 /nfs/dbraw/zinc/44/27/33/411442733.db2.gz BHRWICXSWOPPTF-YNEHKIRRSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[C@H](C)C[N@H+]1C[C@@H](CN)[C@H](OCC)C1 ZINC000405832184 411442735 /nfs/dbraw/zinc/44/27/35/411442735.db2.gz BHRWICXSWOPPTF-YNEHKIRRSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000657285435 411444867 /nfs/dbraw/zinc/44/48/67/411444867.db2.gz FPRXKFMTBRFMPY-VXGBXAGGSA-N 1 3 228.380 1.731 20 0 BDADHO COc1ccccc1C[C@@H](C)NCC[C@H](C)[NH3+] ZINC000414824187 411448066 /nfs/dbraw/zinc/44/80/66/411448066.db2.gz QHQLOWIWXBPTIS-NWDGAFQWSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccccc1C[C@@H](C)[NH2+]CC[C@H](C)N ZINC000414824187 411448069 /nfs/dbraw/zinc/44/80/69/411448069.db2.gz QHQLOWIWXBPTIS-NWDGAFQWSA-N 1 3 236.359 1.953 20 0 BDADHO C[NH2+]CCNC1CCC(C(F)(F)F)CC1 ZINC000414831443 411449981 /nfs/dbraw/zinc/44/99/81/411449981.db2.gz PKGYNQCKELLOQB-UHFFFAOYSA-N 1 3 224.270 1.917 20 0 BDADHO CO[C@H](C[NH+]1CCC(N(C)C)CC1)C1CCC1 ZINC000659836878 411470090 /nfs/dbraw/zinc/47/00/90/411470090.db2.gz BLVCKYKTEBZVQQ-CQSZACIVSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CCC[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657358772 411475892 /nfs/dbraw/zinc/47/58/92/411475892.db2.gz NMJGXNVQEJHPHL-LBPRGKRZSA-N 1 3 248.374 1.261 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCC3)CCN1C ZINC000657374989 411482859 /nfs/dbraw/zinc/48/28/59/411482859.db2.gz BJJKVEMTWMSVJR-VXGBXAGGSA-N 1 3 248.374 1.402 20 0 BDADHO CC[C@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000657427395 411504070 /nfs/dbraw/zinc/50/40/70/411504070.db2.gz MXPKQVXYEYEVGF-STQMWFEESA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1nccn1C ZINC000655806132 411520425 /nfs/dbraw/zinc/52/04/25/411520425.db2.gz ZVNSFBJGUCWQMB-SDDRHHMPSA-N 1 3 236.363 1.411 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H](C)C[NH+](C)C)CO1 ZINC000657472177 411523078 /nfs/dbraw/zinc/52/30/78/411523078.db2.gz OHMVYJCHFVXXLW-QJPTWQEYSA-N 1 3 214.353 1.341 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H](C)C[NH+](C)C)CO1 ZINC000657472176 411523388 /nfs/dbraw/zinc/52/33/88/411523388.db2.gz OHMVYJCHFVXXLW-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269131 170008343 /nfs/dbraw/zinc/00/83/43/170008343.db2.gz ORCAHGSLGJRTPG-STQMWFEESA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269131 170008345 /nfs/dbraw/zinc/00/83/45/170008345.db2.gz ORCAHGSLGJRTPG-STQMWFEESA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@H+]1CC[C@@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269131 170008346 /nfs/dbraw/zinc/00/83/46/170008346.db2.gz ORCAHGSLGJRTPG-STQMWFEESA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCCO)[C@@H](C)C1 ZINC000304429105 170009025 /nfs/dbraw/zinc/00/90/25/170009025.db2.gz MBOCNAUSLMOGIJ-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCCO)[C@@H](C)C1 ZINC000304429105 170009024 /nfs/dbraw/zinc/00/90/24/170009024.db2.gz MBOCNAUSLMOGIJ-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CCOC(=O)C1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000094087837 170192316 /nfs/dbraw/zinc/19/23/16/170192316.db2.gz DEBGEWWHYMEVCU-HTAVTVPLSA-N 1 3 240.347 1.060 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCC[C@@H](C)C1 ZINC000660310612 411567354 /nfs/dbraw/zinc/56/73/54/411567354.db2.gz OUGNRKKVIPUIBY-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H](C)C1 ZINC000660310612 411567355 /nfs/dbraw/zinc/56/73/55/411567355.db2.gz OUGNRKKVIPUIBY-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@@H](O)CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660810 411614711 /nfs/dbraw/zinc/61/47/11/411614711.db2.gz AWGCXOMRKVMIFN-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](O)CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660810 411614713 /nfs/dbraw/zinc/61/47/13/411614713.db2.gz AWGCXOMRKVMIFN-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOCCF)[C@@H](C)C1 ZINC000663463932 411665295 /nfs/dbraw/zinc/66/52/95/411665295.db2.gz OSTXWSXEUVDZGN-NWDGAFQWSA-N 1 3 232.343 1.292 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOCCF)[C@@H](C)C1 ZINC000663463932 411665299 /nfs/dbraw/zinc/66/52/99/411665299.db2.gz OSTXWSXEUVDZGN-NWDGAFQWSA-N 1 3 232.343 1.292 20 0 BDADHO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C12CC(C1)CN2 ZINC000663498585 411680951 /nfs/dbraw/zinc/68/09/51/411680951.db2.gz QLUBJNAFZVQUDG-NSTUHTFISA-N 1 3 248.370 1.286 20 0 BDADHO C[C@H]1C[C@@H](CN2CCc3nccnc3C2)CC[NH2+]1 ZINC000663503590 411688337 /nfs/dbraw/zinc/68/83/37/411688337.db2.gz PYKLKTWGYGOMMU-RYUDHWBXSA-N 1 3 246.358 1.223 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H](C)[C@H]1O ZINC000661620992 411820022 /nfs/dbraw/zinc/82/00/22/411820022.db2.gz CADKCMKRECINNT-RQJABVFESA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H](C)[C@H]1O ZINC000661620992 411820023 /nfs/dbraw/zinc/82/00/23/411820023.db2.gz CADKCMKRECINNT-RQJABVFESA-N 1 3 240.391 1.419 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CCF)C1 ZINC000661690564 411832832 /nfs/dbraw/zinc/83/28/32/411832832.db2.gz RQWQTWFMACCHSY-QWHCGFSZSA-N 1 3 246.370 1.371 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CCF)C1 ZINC000661690564 411832834 /nfs/dbraw/zinc/83/28/34/411832834.db2.gz RQWQTWFMACCHSY-QWHCGFSZSA-N 1 3 246.370 1.371 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CCF)C1 ZINC000661690563 411833226 /nfs/dbraw/zinc/83/32/26/411833226.db2.gz RQWQTWFMACCHSY-OLZOCXBDSA-N 1 3 246.370 1.371 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CCF)C1 ZINC000661690563 411833231 /nfs/dbraw/zinc/83/32/31/411833231.db2.gz RQWQTWFMACCHSY-OLZOCXBDSA-N 1 3 246.370 1.371 20 0 BDADHO CC[C@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152702 412008242 /nfs/dbraw/zinc/00/82/42/412008242.db2.gz XVSRAHBGBLTJPG-WCQYABFASA-N 1 3 226.364 1.316 20 0 BDADHO CC[C@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152702 412008245 /nfs/dbraw/zinc/00/82/45/412008245.db2.gz XVSRAHBGBLTJPG-WCQYABFASA-N 1 3 226.364 1.316 20 0 BDADHO CNC[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662238164 412033754 /nfs/dbraw/zinc/03/37/54/412033754.db2.gz NPOVXQSAFIAVCE-ZDUSSCGKSA-N 1 3 208.349 1.884 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662238164 412033759 /nfs/dbraw/zinc/03/37/59/412033759.db2.gz NPOVXQSAFIAVCE-ZDUSSCGKSA-N 1 3 208.349 1.884 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@@H](N)C1)C1CCCC1 ZINC000662235772 412035025 /nfs/dbraw/zinc/03/50/25/412035025.db2.gz SNCYKTGVRYRADU-CHWSQXEVSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@@H](N)C1)C1CCCC1 ZINC000662235772 412035027 /nfs/dbraw/zinc/03/50/27/412035027.db2.gz SNCYKTGVRYRADU-CHWSQXEVSA-N 1 3 226.364 1.615 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662236153 412035171 /nfs/dbraw/zinc/03/51/71/412035171.db2.gz DKAYXIFQNVHDSS-FQUUOJAGSA-N 1 3 222.376 1.964 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662236153 412035174 /nfs/dbraw/zinc/03/51/74/412035174.db2.gz DKAYXIFQNVHDSS-FQUUOJAGSA-N 1 3 222.376 1.964 20 0 BDADHO CC[C@H](CC(F)F)C[N@@H+]1CCCNCC1 ZINC000662241857 412037625 /nfs/dbraw/zinc/03/76/25/412037625.db2.gz XVGXEQNGVJBSQS-SNVBAGLBSA-N 1 3 220.307 1.963 20 0 BDADHO CC[C@H](CC(F)F)C[N@H+]1CCCNCC1 ZINC000662241857 412037627 /nfs/dbraw/zinc/03/76/27/412037627.db2.gz XVGXEQNGVJBSQS-SNVBAGLBSA-N 1 3 220.307 1.963 20 0 BDADHO CO[C@H](CN(C)CCC[NH3+])C1CCCC1 ZINC000662243932 412038755 /nfs/dbraw/zinc/03/87/55/412038755.db2.gz DJIIRJUSMWDNAS-GFCCVEGCSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H](CC(F)F)C[N@H+](C)CCCN ZINC000662247422 412045208 /nfs/dbraw/zinc/04/52/08/412045208.db2.gz XWTYBCQZYNGPLJ-SECBINFHSA-N 1 3 208.296 1.948 20 0 BDADHO CC[C@H](CC(F)F)C[N@@H+](C)CCCN ZINC000662247422 412045209 /nfs/dbraw/zinc/04/52/09/412045209.db2.gz XWTYBCQZYNGPLJ-SECBINFHSA-N 1 3 208.296 1.948 20 0 BDADHO CC[C@H](CC(F)F)CN(C)CCC[NH3+] ZINC000662247422 412045210 /nfs/dbraw/zinc/04/52/10/412045210.db2.gz XWTYBCQZYNGPLJ-SECBINFHSA-N 1 3 208.296 1.948 20 0 BDADHO CC[N@H+](CC(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253969 412049885 /nfs/dbraw/zinc/04/98/85/412049885.db2.gz ZZGPSFVEARKXBE-LBPRGKRZSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+](CC(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253969 412049888 /nfs/dbraw/zinc/04/98/88/412049888.db2.gz ZZGPSFVEARKXBE-LBPRGKRZSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]([N@H+](C)C[C@@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257719 412052268 /nfs/dbraw/zinc/05/22/68/412052268.db2.gz FWKDFMYYRYMZRF-NEPJUHHUSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]([N@@H+](C)C[C@@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257719 412052271 /nfs/dbraw/zinc/05/22/71/412052271.db2.gz FWKDFMYYRYMZRF-NEPJUHHUSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259031 412054533 /nfs/dbraw/zinc/05/45/33/412054533.db2.gz OMYURUKUEAANPA-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259031 412054534 /nfs/dbraw/zinc/05/45/34/412054534.db2.gz OMYURUKUEAANPA-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(C)CCCC[C@@H]1C[N@@H+]1CCO[C@@H](CN)C1 ZINC000662265177 412056532 /nfs/dbraw/zinc/05/65/32/412056532.db2.gz GCNLPGQAGFULKP-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO CC1(C)CCCC[C@@H]1C[N@H+]1CCO[C@@H](CN)C1 ZINC000662265177 412056535 /nfs/dbraw/zinc/05/65/35/412056535.db2.gz GCNLPGQAGFULKP-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](CN1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000662273549 412065323 /nfs/dbraw/zinc/06/53/23/412065323.db2.gz OELRZWOYUVFJQP-BFHYXJOUSA-N 1 3 238.375 1.485 20 0 BDADHO CC[C@@H]1C[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463413 171130462 /nfs/dbraw/zinc/13/04/62/171130462.db2.gz ZGVJIBLVZMDXFN-YIYPIFLZSA-N 1 3 238.375 1.343 20 0 BDADHO Cn1cncc1CCC[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000662275665 412067703 /nfs/dbraw/zinc/06/77/03/412067703.db2.gz GILAOGDWPWARKQ-BETUJISGSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cncc1CCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000662275665 412067707 /nfs/dbraw/zinc/06/77/07/412067707.db2.gz GILAOGDWPWARKQ-BETUJISGSA-N 1 3 248.374 1.179 20 0 BDADHO CO[C@@H](CN[C@H](C[NH3+])C(C)(C)C)C1CCC1 ZINC000662277787 412069647 /nfs/dbraw/zinc/06/96/47/412069647.db2.gz RYFZZJPHNOOACB-NWDGAFQWSA-N 1 3 228.380 1.765 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000373340845 171207136 /nfs/dbraw/zinc/20/71/36/171207136.db2.gz LFDFAKSNVBQUTK-OPDFLTKYSA-N 1 3 236.359 1.443 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000373340845 171207138 /nfs/dbraw/zinc/20/71/38/171207138.db2.gz LFDFAKSNVBQUTK-OPDFLTKYSA-N 1 3 236.359 1.443 20 0 BDADHO CC[C@H](C(=O)NCC[N@H+](C)CC)N(CC)CC ZINC000346131649 171228401 /nfs/dbraw/zinc/22/84/01/171228401.db2.gz PGWBQDYXWCMTOZ-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@H](C(=O)NCC[N@@H+](C)CC)N(CC)CC ZINC000346131649 171228403 /nfs/dbraw/zinc/22/84/03/171228403.db2.gz PGWBQDYXWCMTOZ-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662282237 412073206 /nfs/dbraw/zinc/07/32/06/412073206.db2.gz OAWPCGJAIZOSFB-FRRDWIJNSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662282237 412073208 /nfs/dbraw/zinc/07/32/08/412073208.db2.gz OAWPCGJAIZOSFB-FRRDWIJNSA-N 1 3 238.375 1.628 20 0 BDADHO COc1ccc(CN(C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000662297062 412083619 /nfs/dbraw/zinc/08/36/19/412083619.db2.gz ZDOFTMPEOSUSAQ-GFCCVEGCSA-N 1 3 249.358 1.522 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000665235956 412175920 /nfs/dbraw/zinc/17/59/20/412175920.db2.gz DENFRPSEUIXPGT-MFKMUULPSA-N 1 3 249.358 1.678 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NC[C@@H]1CCCO1 ZINC000665236021 412176589 /nfs/dbraw/zinc/17/65/89/412176589.db2.gz FQVQUWJJORXZPC-SRVKXCTJSA-N 1 3 212.337 1.415 20 0 BDADHO C1C[C@H]([NH2+][C@H]2CCC[C@H]([C@H]3CCOC3)C2)CN1 ZINC000665242162 412184076 /nfs/dbraw/zinc/18/40/76/412184076.db2.gz MGHJNHAPLLYXMD-XUXIUFHCSA-N 1 3 238.375 1.533 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244175 412186866 /nfs/dbraw/zinc/18/68/66/412186866.db2.gz HSIOGQZLMCALAL-GARJFASQSA-N 1 3 248.317 1.518 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000665244175 412186870 /nfs/dbraw/zinc/18/68/70/412186870.db2.gz HSIOGQZLMCALAL-GARJFASQSA-N 1 3 248.317 1.518 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCO[C@H]2CC2(F)F)C1 ZINC000665244700 412189795 /nfs/dbraw/zinc/18/97/95/412189795.db2.gz TYCPBXLXOWCWLH-BBBLOLIVSA-N 1 3 234.290 1.270 20 0 BDADHO C[C@H](NC[C@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273689 412215395 /nfs/dbraw/zinc/21/53/95/412215395.db2.gz BQVFXCIEMHJLBE-CBAPKCEASA-N 1 3 218.291 1.475 20 0 BDADHO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CNC1 ZINC000665273689 412215399 /nfs/dbraw/zinc/21/53/99/412215399.db2.gz BQVFXCIEMHJLBE-CBAPKCEASA-N 1 3 218.291 1.475 20 0 BDADHO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CNC1 ZINC000665266404 412208381 /nfs/dbraw/zinc/20/83/81/412208381.db2.gz APRFLYKZKWSISD-PSASIEDQSA-N 1 3 218.291 1.619 20 0 BDADHO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)C1CNC1 ZINC000665266407 412208528 /nfs/dbraw/zinc/20/85/28/412208528.db2.gz APRFLYKZKWSISD-WPRPVWTQSA-N 1 3 218.291 1.619 20 0 BDADHO CC[C@@H]([NH2+]CCC1CC(OC)C1)[C@@H]1CCCN1 ZINC000665230867 412168167 /nfs/dbraw/zinc/16/81/67/412168167.db2.gz XIBSEOSEFMCFBS-PQAZSJQKSA-N 1 3 240.391 1.922 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000665230295 412168964 /nfs/dbraw/zinc/16/89/64/412168964.db2.gz MFSUJTXAASXYQW-RYSNWHEDSA-N 1 3 240.391 1.779 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748081 412173332 /nfs/dbraw/zinc/17/33/32/412173332.db2.gz RVTYXAUTYQXZPN-LBELIVKGSA-N 1 3 224.348 1.413 20 0 BDADHO CC(C)[C@H]([NH2+]CC12CC(C1)CN2)C1CC1 ZINC000665277491 412220443 /nfs/dbraw/zinc/22/04/43/412220443.db2.gz CPGUEFOTICTBGW-YDGIUTOCSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@H](NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000665277491 412220444 /nfs/dbraw/zinc/22/04/44/412220444.db2.gz CPGUEFOTICTBGW-YDGIUTOCSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCCOC1 ZINC000665279048 412223025 /nfs/dbraw/zinc/22/30/25/412223025.db2.gz VSOLYPMAGROIAD-IGJPJIBNSA-N 1 3 224.348 1.143 20 0 BDADHO COC[C@H](NCC[C@@H]([NH3+])C(C)C)C(C)C ZINC000665281309 412226743 /nfs/dbraw/zinc/22/67/43/412226743.db2.gz ZKVXIIZHVAISIU-NEPJUHHUSA-N 1 3 216.369 1.620 20 0 BDADHO C[C@H]([NH2+]CCOCCF)[C@@H]1CCCCN1 ZINC000665299149 412247455 /nfs/dbraw/zinc/24/74/55/412247455.db2.gz HNWMOQDARGICSK-QWRGUYRKSA-N 1 3 218.316 1.093 20 0 BDADHO C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CCN1C ZINC000132946633 412373925 /nfs/dbraw/zinc/37/39/25/412373925.db2.gz COXPFZLUEBXOID-GHMZBOCLSA-N 1 3 241.379 1.103 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](O)CC1 ZINC000334245609 173005228 /nfs/dbraw/zinc/00/52/28/173005228.db2.gz SYCVIMHDAYTLJG-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](O)CC1 ZINC000334245609 173005229 /nfs/dbraw/zinc/00/52/29/173005229.db2.gz SYCVIMHDAYTLJG-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCCN(CC[NH2+]C2CCCC2)CC1 ZINC000037482414 173014119 /nfs/dbraw/zinc/01/41/19/173014119.db2.gz VFWDHKKNJOXAMA-UHFFFAOYSA-N 1 3 225.380 1.156 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](CO)CC1 ZINC000339750620 173051655 /nfs/dbraw/zinc/05/16/55/173051655.db2.gz OIRKECHBJWMBGP-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](CO)CC1 ZINC000339750620 173051657 /nfs/dbraw/zinc/05/16/57/173051657.db2.gz OIRKECHBJWMBGP-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](CCc3ccccn3)C2)C1 ZINC000292166364 173139321 /nfs/dbraw/zinc/13/93/21/173139321.db2.gz PDHLPKPGKMQLAD-OAHLLOKOSA-N 1 3 245.370 1.652 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](CCc3ccccn3)C2)C1 ZINC000292166364 173139323 /nfs/dbraw/zinc/13/93/23/173139323.db2.gz PDHLPKPGKMQLAD-OAHLLOKOSA-N 1 3 245.370 1.652 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN(CCCn3ccnc3)C2)C1 ZINC000366518824 173168017 /nfs/dbraw/zinc/16/80/17/173168017.db2.gz IMLLNQAAWMCCTL-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO C[N@H+]1CC[C@]2(CCN(CCCn3ccnc3)C2)C1 ZINC000366518824 173168019 /nfs/dbraw/zinc/16/80/19/173168019.db2.gz IMLLNQAAWMCCTL-AWEZNQCLSA-N 1 3 248.374 1.301 20 0 BDADHO C[NH2+]CC1CC[NH+](Cc2nc(C)ccc2[O-])CC1 ZINC000091996092 173338707 /nfs/dbraw/zinc/33/87/07/173338707.db2.gz KFCPXXDPUDRDDI-UHFFFAOYSA-N 1 3 249.358 1.527 20 0 BDADHO C[NH2+]CCCC(=O)Nc1cccc2c1CNCC2 ZINC000375992659 173345387 /nfs/dbraw/zinc/34/53/87/173345387.db2.gz OCASTTCATNTXAT-UHFFFAOYSA-N 1 3 247.342 1.270 20 0 BDADHO C[NH2+]CCCN(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000124618206 173345883 /nfs/dbraw/zinc/34/58/83/173345883.db2.gz NXHRQTQYCZHTLU-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000375965857 173364329 /nfs/dbraw/zinc/36/43/29/173364329.db2.gz TZOOYNONUDPQCM-SNVBAGLBSA-N 1 3 247.342 1.126 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCCOC(C)C)C1 ZINC000011892063 173369882 /nfs/dbraw/zinc/36/98/82/173369882.db2.gz NAOQYRJSZIUHPC-LBPRGKRZSA-N 1 3 214.353 1.343 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCCc2ccc(C)nc2)C1 ZINC000339407485 173369988 /nfs/dbraw/zinc/36/99/88/173369988.db2.gz NSBPLDDFUHUKHG-HNNXBMFYSA-N 1 3 247.386 1.864 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCc2cccs2)C1 ZINC000011891978 173381634 /nfs/dbraw/zinc/38/16/34/173381634.db2.gz IZDRBPYUYFSLJK-LLVKDONJSA-N 1 3 224.373 1.832 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)C(C)C)cc1 ZINC000295206317 173389155 /nfs/dbraw/zinc/38/91/55/173389155.db2.gz KUUHOQZCJQVSLL-GFCCVEGCSA-N 1 3 235.331 1.328 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357058746 174069926 /nfs/dbraw/zinc/06/99/26/174069926.db2.gz WEKRXNQXJVZTDD-NWDGAFQWSA-N 1 3 226.364 1.200 20 0 BDADHO COCCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369599846 174234618 /nfs/dbraw/zinc/23/46/18/174234618.db2.gz GRXZOJHLEXZNLE-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO COCCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369599846 174234619 /nfs/dbraw/zinc/23/46/19/174234619.db2.gz GRXZOJHLEXZNLE-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO COCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000375898307 174339440 /nfs/dbraw/zinc/33/94/40/174339440.db2.gz QZURJRCTXDBGDX-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375898307 174339442 /nfs/dbraw/zinc/33/94/42/174339442.db2.gz QZURJRCTXDBGDX-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375898307 174339443 /nfs/dbraw/zinc/33/94/43/174339443.db2.gz QZURJRCTXDBGDX-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1occc1C ZINC000336654760 174468740 /nfs/dbraw/zinc/46/87/40/174468740.db2.gz KHGHWKNQKRGXNM-LLVKDONJSA-N 1 3 226.320 1.432 20 0 BDADHO COc1ccc(C[C@@H](C)NCC[NH3+])cc1OC ZINC000037712672 175115853 /nfs/dbraw/zinc/11/58/53/175115853.db2.gz CDBNLAZIWVXPGU-SNVBAGLBSA-N 1 3 238.331 1.183 20 0 BDADHO C[C@@H]1CCC[C@H](CN(C)C[C@@H](O)C[NH3+])C1 ZINC000336766002 176137596 /nfs/dbraw/zinc/13/75/96/176137596.db2.gz RRTVQAPNOBEAIV-WOPDTQHZSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000223643070 176293160 /nfs/dbraw/zinc/29/31/60/176293160.db2.gz NBDJCEAGCSTTJY-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1CN(CCc2ccccc2)CC[C@H]1[NH3+] ZINC000251757679 176293746 /nfs/dbraw/zinc/29/37/46/176293746.db2.gz LRHHXVNCKIHDJJ-TZMCWYRMSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000310201911 176659341 /nfs/dbraw/zinc/65/93/41/176659341.db2.gz BWTMIOOWMSKGSI-NXEZZACHSA-N 1 3 236.315 1.661 20 0 BDADHO C[C@H](c1cccc(O)c1)N(C)CCOCC[NH3+] ZINC000357083094 177037056 /nfs/dbraw/zinc/03/70/56/177037056.db2.gz INAQATLYZFHDPU-LLVKDONJSA-N 1 3 238.331 1.360 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000309750770 177193438 /nfs/dbraw/zinc/19/34/38/177193438.db2.gz GPZUJKFRPLYJHF-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000309750771 177204604 /nfs/dbraw/zinc/20/46/04/177204604.db2.gz GPZUJKFRPLYJHF-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1CN(CCC2CC[NH2+]CC2)CC(C)(C)O1 ZINC000045694727 177246318 /nfs/dbraw/zinc/24/63/18/177246318.db2.gz MTMDEOQROOTEKO-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[N@H+](CC2CCOCC2)CC[C@H]1N ZINC000251853319 177246324 /nfs/dbraw/zinc/24/63/24/177246324.db2.gz RRIWELIHBCUNAK-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1N ZINC000251853319 177246326 /nfs/dbraw/zinc/24/63/26/177246326.db2.gz RRIWELIHBCUNAK-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1CN(CC2CCOCC2)CC[C@H]1[NH3+] ZINC000251853319 177246328 /nfs/dbraw/zinc/24/63/28/177246328.db2.gz RRIWELIHBCUNAK-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1CN(CCc2ccccc2)CC[C@@H]1[NH3+] ZINC000022130141 177254178 /nfs/dbraw/zinc/25/41/78/177254178.db2.gz LRHHXVNCKIHDJJ-JSGCOSHPSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000226005574 177301990 /nfs/dbraw/zinc/30/19/90/177301990.db2.gz IJCXMGYUXOSRLV-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1cccnc1 ZINC000122338990 177324539 /nfs/dbraw/zinc/32/45/39/177324539.db2.gz WQGMZIPGEJQBKQ-AAEUAGOBSA-N 1 3 219.332 1.293 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CCO1 ZINC000309809388 177330985 /nfs/dbraw/zinc/33/09/85/177330985.db2.gz TVRMEVCSVAESAC-AAEUAGOBSA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)CN(C)C ZINC000336722169 177331943 /nfs/dbraw/zinc/33/19/43/177331943.db2.gz STRKIVJOUIRNCD-YIYPIFLZSA-N 1 3 241.423 1.502 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCN1CCCC1 ZINC000036908134 177332480 /nfs/dbraw/zinc/33/24/80/177332480.db2.gz ZNSVSRMSNJOANO-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCN1CCCC1 ZINC000036908134 177332481 /nfs/dbraw/zinc/33/24/81/177332481.db2.gz ZNSVSRMSNJOANO-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCN1CCCC1 ZINC000036908134 177332482 /nfs/dbraw/zinc/33/24/82/177332482.db2.gz ZNSVSRMSNJOANO-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000122307562 177361114 /nfs/dbraw/zinc/36/11/14/177361114.db2.gz ZROPDWXAVBUZMA-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CCOCC1 ZINC000122307562 177361116 /nfs/dbraw/zinc/36/11/16/177361116.db2.gz ZROPDWXAVBUZMA-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)N(C)C ZINC000036908112 177368979 /nfs/dbraw/zinc/36/89/79/177368979.db2.gz DZOSUHWCFLDIIK-AGIUHOORSA-N 1 3 241.423 1.645 20 0 BDADHO C[C@H]1C[C@H](NC2CCC([NH3+])CC2)c2nccn21 ZINC000329257055 177369773 /nfs/dbraw/zinc/36/97/73/177369773.db2.gz DUPKSXVPPMPCLD-XKGSQUFQSA-N 1 3 234.347 1.748 20 0 BDADHO COC[C@]1(C)CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000487046474 225283976 /nfs/dbraw/zinc/28/39/76/225283976.db2.gz QHQMUAURKRZCIL-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@]1(C)CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000487046474 225283980 /nfs/dbraw/zinc/28/39/80/225283980.db2.gz QHQMUAURKRZCIL-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH+](C)CCOCCNC/C=C/c1ccncc1 ZINC000487569532 225314637 /nfs/dbraw/zinc/31/46/37/225314637.db2.gz GMTJUSWKFDWFHA-ONEGZZNKSA-N 1 3 249.358 1.263 20 0 BDADHO C[C@H]([NH2+]CC1CCSCC1)[C@@H]1CCCN1 ZINC000400611683 226347635 /nfs/dbraw/zinc/34/76/35/226347635.db2.gz YOQHENIUXSKKJN-JQWIXIFHSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](NCCC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000402005457 226364332 /nfs/dbraw/zinc/36/43/32/226364332.db2.gz QJWCYJUMVYYGKB-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO Cn1cncc1CCCN1CC[C@@](C)(C[NH3+])C1 ZINC000314870753 487669214 /nfs/dbraw/zinc/66/92/14/487669214.db2.gz KHUXQGWFOYXQBT-ZDUSSCGKSA-N 1 3 236.363 1.023 20 0 BDADHO Cn1cncc1CCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000314870753 487669216 /nfs/dbraw/zinc/66/92/16/487669216.db2.gz KHUXQGWFOYXQBT-ZDUSSCGKSA-N 1 3 236.363 1.023 20 0 BDADHO Cn1cncc1CCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000314870753 487669217 /nfs/dbraw/zinc/66/92/17/487669217.db2.gz KHUXQGWFOYXQBT-ZDUSSCGKSA-N 1 3 236.363 1.023 20 0 BDADHO CCN(CCOCC[NH3+])Cc1ccc(C)cc1 ZINC000383744751 487669747 /nfs/dbraw/zinc/66/97/47/487669747.db2.gz CVHIJOMKRLISAV-UHFFFAOYSA-N 1 3 236.359 1.792 20 0 BDADHO CCCC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000232965013 487677179 /nfs/dbraw/zinc/67/71/79/487677179.db2.gz ACLOCXVPYOBQSN-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO CCNCC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414838039 487694010 /nfs/dbraw/zinc/69/40/10/487694010.db2.gz YIBRUXIYRRSKEB-LLVKDONJSA-N 1 3 237.347 1.220 20 0 BDADHO O[C@@H](CNCCC1=CCCC1)C[NH+]1CCCC1 ZINC000228673551 487707485 /nfs/dbraw/zinc/70/74/85/487707485.db2.gz AENNNPQDKOXNAQ-AWEZNQCLSA-N 1 3 238.375 1.533 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C[C@H](C)CN)C1 ZINC001172604060 974880651 /nfs/dbraw/zinc/88/06/51/974880651.db2.gz RLANPTHOCBWHRP-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](C)CN)C1 ZINC001172604060 974880655 /nfs/dbraw/zinc/88/06/55/974880655.db2.gz RLANPTHOCBWHRP-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H](N(C)C[C@H](C)C[NH3+])C1 ZINC001172604060 974880659 /nfs/dbraw/zinc/88/06/59/974880659.db2.gz RLANPTHOCBWHRP-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO CC[N@H+](CCCO)C[C@@]1(C)CCCNC1 ZINC000904342225 584867458 /nfs/dbraw/zinc/86/74/58/584867458.db2.gz ZUPWXHIIBDNIDX-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CC[N@@H+](CCCO)C[C@@]1(C)CCCNC1 ZINC000904342225 584867459 /nfs/dbraw/zinc/86/74/59/584867459.db2.gz ZUPWXHIIBDNIDX-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H](C)COC)CC[C@@H]1N ZINC000163550965 487744698 /nfs/dbraw/zinc/74/46/98/487744698.db2.gz GAWKFIDWUXGHQU-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H](C)COC)CC[C@@H]1N ZINC000163550965 487744700 /nfs/dbraw/zinc/74/47/00/487744700.db2.gz GAWKFIDWUXGHQU-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO CC[C@@H]1CN(C[C@@H](C)COC)CC[C@@H]1[NH3+] ZINC000163550965 487744703 /nfs/dbraw/zinc/74/47/03/487744703.db2.gz GAWKFIDWUXGHQU-UTUOFQBUSA-N 1 3 214.353 1.328 20 0 BDADHO C[N@H+](CCOCc1ccccc1)C1CCNCC1 ZINC000309869225 487775580 /nfs/dbraw/zinc/77/55/80/487775580.db2.gz GGWBMIAHHBPVOQ-UHFFFAOYSA-N 1 3 248.370 1.887 20 0 BDADHO C[N@@H+](CCOCc1ccccc1)C1CCNCC1 ZINC000309869225 487775584 /nfs/dbraw/zinc/77/55/84/487775584.db2.gz GGWBMIAHHBPVOQ-UHFFFAOYSA-N 1 3 248.370 1.887 20 0 BDADHO CC[C@H]1CN(CCOC(C)C)CC[C@H]1[NH3+] ZINC000251645155 487780753 /nfs/dbraw/zinc/78/07/53/487780753.db2.gz GEUNXQUJZSVHMC-NWDGAFQWSA-N 1 3 214.353 1.471 20 0 BDADHO CO[C@H](C[NH2+]CCCN(C)C(C)C)C1CC1 ZINC000400290434 487791367 /nfs/dbraw/zinc/79/13/67/487791367.db2.gz WCXXIZXEBQALPM-CYBMUJFWSA-N 1 3 228.380 1.731 20 0 BDADHO [NH3+]CCCN1CCC(n2cc(Cl)cn2)CC1 ZINC000414710092 487818910 /nfs/dbraw/zinc/81/89/10/487818910.db2.gz KVQPXYMWEKANIF-UHFFFAOYSA-N 1 3 242.754 1.522 20 0 BDADHO CC(C)c1ccc([C@@H](N)CNCCC[NH3+])cc1 ZINC000414835349 487824951 /nfs/dbraw/zinc/82/49/51/487824951.db2.gz RPISDUKBNHRDFM-AWEZNQCLSA-N 1 3 235.375 1.748 20 0 BDADHO CCCC[C@H](CC)CC[N@H+](C)C[C@@H](O)CN ZINC000415073879 487835906 /nfs/dbraw/zinc/83/59/06/487835906.db2.gz ZAWXBHTUOKYVFL-STQMWFEESA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@H](CC)CC[N@@H+](C)C[C@@H](O)CN ZINC000415073879 487835917 /nfs/dbraw/zinc/83/59/17/487835917.db2.gz ZAWXBHTUOKYVFL-STQMWFEESA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@H](CC)CCN(C)C[C@@H](O)C[NH3+] ZINC000415073879 487835922 /nfs/dbraw/zinc/83/59/22/487835922.db2.gz ZAWXBHTUOKYVFL-STQMWFEESA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@@H](CC)CC[N@H+](C)C[C@H](O)CN ZINC000415073874 487836749 /nfs/dbraw/zinc/83/67/49/487836749.db2.gz ZAWXBHTUOKYVFL-CHWSQXEVSA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@@H](CC)CC[N@@H+](C)C[C@H](O)CN ZINC000415073874 487836755 /nfs/dbraw/zinc/83/67/55/487836755.db2.gz ZAWXBHTUOKYVFL-CHWSQXEVSA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@@H](CC)CCN(C)C[C@H](O)C[NH3+] ZINC000415073874 487836759 /nfs/dbraw/zinc/83/67/59/487836759.db2.gz ZAWXBHTUOKYVFL-CHWSQXEVSA-N 1 3 230.396 1.844 20 0 BDADHO NCCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000415090994 487837112 /nfs/dbraw/zinc/83/71/12/487837112.db2.gz YLVCLMUEJHWPDC-CYBMUJFWSA-N 1 3 233.359 1.451 20 0 BDADHO CC(C)CCNC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030646 588442784 /nfs/dbraw/zinc/44/27/84/588442784.db2.gz QQARFPVORZYJRY-NSHDSACASA-N 1 3 228.384 1.344 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](CCO)CC(C)(C)C ZINC000666639265 487849408 /nfs/dbraw/zinc/84/94/08/487849408.db2.gz WIOXMNLGSVIXMK-GFCCVEGCSA-N 1 3 230.396 1.700 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](CCO)CC(C)(C)C ZINC000666639265 487849413 /nfs/dbraw/zinc/84/94/13/487849413.db2.gz WIOXMNLGSVIXMK-GFCCVEGCSA-N 1 3 230.396 1.700 20 0 BDADHO [NH3+]CCCN1CCC([C@H]2CCOC2)CC1 ZINC000666705194 487862607 /nfs/dbraw/zinc/86/26/07/487862607.db2.gz KADMRYOFHIKCND-LBPRGKRZSA-N 1 3 212.337 1.084 20 0 BDADHO CC(C)[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000666770217 487877191 /nfs/dbraw/zinc/87/71/91/487877191.db2.gz PKDDYKOAJYXNEK-MCIONIFRSA-N 1 3 240.391 1.922 20 0 BDADHO COCC1([N@H+](C)CCCN2CCCCC2)CC1 ZINC000682029059 487882527 /nfs/dbraw/zinc/88/25/27/487882527.db2.gz DTEUUVJBRDMMFE-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO COCC1([N@@H+](C)CCCN2CCCCC2)CC1 ZINC000682029059 487882531 /nfs/dbraw/zinc/88/25/31/487882531.db2.gz DTEUUVJBRDMMFE-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995076 487921562 /nfs/dbraw/zinc/92/15/62/487921562.db2.gz CFXGZKQQPYSSNE-SDDRHHMPSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995076 487921567 /nfs/dbraw/zinc/92/15/67/487921567.db2.gz CFXGZKQQPYSSNE-SDDRHHMPSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CS1 ZINC000306873751 323032666 /nfs/dbraw/zinc/03/26/66/323032666.db2.gz YHVBKUSZKZTBLS-DBIOUOCHSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CS1 ZINC000306873751 323032667 /nfs/dbraw/zinc/03/26/67/323032667.db2.gz YHVBKUSZKZTBLS-DBIOUOCHSA-N 1 3 214.378 1.740 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000570792709 323070442 /nfs/dbraw/zinc/07/04/42/323070442.db2.gz ISTRILRJFAXBCM-WHOHXGKFSA-N 1 3 226.364 1.395 20 0 BDADHO CCC[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000390072374 323083330 /nfs/dbraw/zinc/08/33/30/323083330.db2.gz OGTCKSLCNPFMOB-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CNCc1ccccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000563146491 323095474 /nfs/dbraw/zinc/09/54/74/323095474.db2.gz ZOYYTCCWFDKYJR-PHIMTYICSA-N 1 3 233.315 1.082 20 0 BDADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)C1CC1 ZINC000531685958 323111196 /nfs/dbraw/zinc/11/11/96/323111196.db2.gz ZFQJWMLSFYWUCI-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)[C@@H](C)O1 ZINC000563423631 323124196 /nfs/dbraw/zinc/12/41/96/323124196.db2.gz HRXLUPGPCDOHRH-NJMOYASZSA-N 1 3 226.364 1.659 20 0 BDADHO CC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000571158363 323136880 /nfs/dbraw/zinc/13/68/80/323136880.db2.gz GDTCHPVFXRTYLB-TUAOUCFPSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000571158363 323136881 /nfs/dbraw/zinc/13/68/81/323136881.db2.gz GDTCHPVFXRTYLB-TUAOUCFPSA-N 1 3 214.353 1.220 20 0 BDADHO CCNC(=O)C(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000571417976 323144454 /nfs/dbraw/zinc/14/44/54/323144454.db2.gz QFJBDVOSNPIHJK-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000571417976 323144455 /nfs/dbraw/zinc/14/44/55/323144455.db2.gz QFJBDVOSNPIHJK-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000395063885 323186649 /nfs/dbraw/zinc/18/66/49/323186649.db2.gz ANPGCXPGAVECGI-RYUDHWBXSA-N 1 3 214.353 1.532 20 0 BDADHO CC[C@@H](N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000130526042 325063006 /nfs/dbraw/zinc/06/30/06/325063006.db2.gz GLCSOLLWJFDPDN-GHMZBOCLSA-N 1 3 243.395 1.206 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000249844137 325661676 /nfs/dbraw/zinc/66/16/76/325661676.db2.gz OCZXDXDMYYNSIC-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2C[C@@H]2C(F)F)C1 ZINC000565430158 325910415 /nfs/dbraw/zinc/91/04/15/325910415.db2.gz CQTFCUVBAVTZIH-HXFLIBJXSA-N 1 3 204.264 1.500 20 0 BDADHO C[C@@]1(CN[C@@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608785 325935186 /nfs/dbraw/zinc/93/51/86/325935186.db2.gz IXQCIJVWNWUOBH-HUUCEWRRSA-N 1 3 245.370 1.845 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CCCSC1 ZINC000566088188 325992162 /nfs/dbraw/zinc/99/21/62/325992162.db2.gz BQCRHNDWHGOOSO-NSHDSACASA-N 1 3 216.394 1.860 20 0 BDADHO CCCCNC(=O)CCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566411894 326041009 /nfs/dbraw/zinc/04/10/09/326041009.db2.gz MSQJWVGNFLCSCG-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566481536 326055705 /nfs/dbraw/zinc/05/57/05/326055705.db2.gz IJQGSRAJXPQXNK-FBUKTIRESA-N 1 3 212.337 1.173 20 0 BDADHO CC[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154405188 326142948 /nfs/dbraw/zinc/14/29/48/326142948.db2.gz NZSZYZHBTFLSTG-ZDUSSCGKSA-N 1 3 227.396 1.402 20 0 BDADHO CCCN(CC[NH+](C)C)C(=O)[C@H](CC)N(C)C ZINC000156046608 326217505 /nfs/dbraw/zinc/21/75/05/326217505.db2.gz RTXUDKUWVCUYSK-LBPRGKRZSA-N 1 3 243.395 1.127 20 0 BDADHO Cc1ccc(CN2CCC(CC[NH3+])CC2)nc1 ZINC000156601278 326236321 /nfs/dbraw/zinc/23/63/21/326236321.db2.gz NZKREKWWTUIGQP-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO Cc1noc(C)c1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568247225 326333909 /nfs/dbraw/zinc/33/39/09/326333909.db2.gz FPHNJPZBQJCONE-VXGBXAGGSA-N 1 3 237.347 1.693 20 0 BDADHO CCn1ccnc1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000568845352 326379022 /nfs/dbraw/zinc/37/90/22/326379022.db2.gz ZLACFFWDXWLDDV-RYUDHWBXSA-N 1 3 236.363 1.510 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@H]1CCCNC1 ZINC000568856560 326379300 /nfs/dbraw/zinc/37/93/00/326379300.db2.gz XGGCWQYMVJIXDX-FIQHERPVSA-N 1 3 214.328 1.855 20 0 BDADHO CSCC[C@H](CO)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000568856579 326379319 /nfs/dbraw/zinc/37/93/19/326379319.db2.gz YLPRFFMRCOMSJL-IJLUTSLNSA-N 1 3 246.420 1.078 20 0 BDADHO CSCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000568856579 326379321 /nfs/dbraw/zinc/37/93/21/326379321.db2.gz YLPRFFMRCOMSJL-IJLUTSLNSA-N 1 3 246.420 1.078 20 0 BDADHO CC[C@@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971297 488029259 /nfs/dbraw/zinc/02/92/59/488029259.db2.gz YSYJIDAWXDDHMJ-FRRDWIJNSA-N 1 3 228.380 1.658 20 0 BDADHO C[NH2+]C[C@@H](C)NC1CCC2(CCOCC2)CC1 ZINC000663508789 488055054 /nfs/dbraw/zinc/05/50/54/488055054.db2.gz DRUDLQXRVHNIQI-GFCCVEGCSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200678 488067105 /nfs/dbraw/zinc/06/71/05/488067105.db2.gz UFRNJRBXXMIVRV-HGCLJGPKSA-N 1 3 210.321 1.166 20 0 BDADHO Cc1nocc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257656297 488077055 /nfs/dbraw/zinc/07/70/55/488077055.db2.gz FLILDQZGJTYNGZ-UHFFFAOYSA-N 1 3 235.331 1.559 20 0 BDADHO C[C@H](CO)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000121056242 490074657 /nfs/dbraw/zinc/07/46/57/490074657.db2.gz ACBLEKYSOAQDEA-UONOGXRCSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000121056242 490074658 /nfs/dbraw/zinc/07/46/58/490074658.db2.gz ACBLEKYSOAQDEA-UONOGXRCSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000121056242 490074660 /nfs/dbraw/zinc/07/46/60/490074660.db2.gz ACBLEKYSOAQDEA-UONOGXRCSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]1 ZINC000669508385 488109280 /nfs/dbraw/zinc/10/92/80/488109280.db2.gz QTNXIXWPZRAIBN-ZDUSSCGKSA-N 1 3 233.315 1.226 20 0 BDADHO NCc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000669508326 488109039 /nfs/dbraw/zinc/10/90/39/488109039.db2.gz HEFJUKDMWZEJPV-NSHDSACASA-N 1 3 233.315 1.226 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000683110341 488111970 /nfs/dbraw/zinc/11/19/70/488111970.db2.gz MLPJNRMKPAOPIS-OLZOCXBDSA-N 1 3 231.343 1.860 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C1CC(N)C1 ZINC001172757762 974930059 /nfs/dbraw/zinc/93/00/59/974930059.db2.gz CCQLPEINXJJCGV-WHXUTIOJSA-N 1 3 228.336 1.186 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+](C)[C@H]1CCCOC1 ZINC000674301349 487552987 /nfs/dbraw/zinc/55/29/87/487552987.db2.gz ATRFVRKKGGZQGT-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+](C)[C@H]1CCCOC1 ZINC000674301349 487552992 /nfs/dbraw/zinc/55/29/92/487552992.db2.gz ATRFVRKKGGZQGT-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO COCCCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000380970665 487492167 /nfs/dbraw/zinc/49/21/67/487492167.db2.gz AJCQJQXYOZSLHL-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO COCCCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000380970665 487492169 /nfs/dbraw/zinc/49/21/69/487492169.db2.gz AJCQJQXYOZSLHL-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO CC[C@@H](C)CN(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000381070529 487494498 /nfs/dbraw/zinc/49/44/98/487494498.db2.gz ODOVMOSXVAJKIG-OLZOCXBDSA-N 1 3 230.396 1.665 20 0 BDADHO CC[C@@H](C)CN(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000381070529 487494500 /nfs/dbraw/zinc/49/45/00/487494500.db2.gz ODOVMOSXVAJKIG-OLZOCXBDSA-N 1 3 230.396 1.665 20 0 BDADHO CCC1(C[NH2+][C@H]2CCC[C@H](N)C2)COC1 ZINC000393977123 487496054 /nfs/dbraw/zinc/49/60/54/487496054.db2.gz KLFKHZLZHCJAKM-QWRGUYRKSA-N 1 3 212.337 1.273 20 0 BDADHO Cc1nocc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274255 487522756 /nfs/dbraw/zinc/52/27/56/487522756.db2.gz SJONQBIKAPVXBY-OLZOCXBDSA-N 1 3 249.358 1.805 20 0 BDADHO CC[C@H]1C[C@@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000234061348 487758795 /nfs/dbraw/zinc/75/87/95/487758795.db2.gz QUUVMAAYDLIMHN-STQMWFEESA-N 1 3 244.379 1.112 20 0 BDADHO CNC(=O)[C@H](CC(C)C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222961319 488138185 /nfs/dbraw/zinc/13/81/85/488138185.db2.gz OMOQIKADIJFHSZ-UTUOFQBUSA-N 1 3 241.379 1.007 20 0 BDADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451116 488156040 /nfs/dbraw/zinc/15/60/40/488156040.db2.gz YIWPBXNRFNDZNT-XUXIUFHCSA-N 1 3 238.375 1.676 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCCC[C@H]1CCN ZINC000230774779 488156571 /nfs/dbraw/zinc/15/65/71/488156571.db2.gz VBUJJZMMPFOMBU-ZDUSSCGKSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1nccc1CC[N@H+]1CCCC[C@H]1CCN ZINC000230774779 488156573 /nfs/dbraw/zinc/15/65/73/488156573.db2.gz VBUJJZMMPFOMBU-ZDUSSCGKSA-N 1 3 236.363 1.166 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)C[C@@H](O)C1CC1 ZINC000678078390 488192945 /nfs/dbraw/zinc/19/29/45/488192945.db2.gz YFMNHFXIYORCQM-CHWSQXEVSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000678078390 488192947 /nfs/dbraw/zinc/19/29/47/488192947.db2.gz YFMNHFXIYORCQM-CHWSQXEVSA-N 1 3 226.364 1.173 20 0 BDADHO CCOCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049709343 488315964 /nfs/dbraw/zinc/31/59/64/488315964.db2.gz TVJQODNBKXKMBG-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO COCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000684573887 488328151 /nfs/dbraw/zinc/32/81/51/488328151.db2.gz HGULRSXQTOZFIL-UHFFFAOYSA-N 1 3 249.358 1.630 20 0 BDADHO COCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000684573887 488328152 /nfs/dbraw/zinc/32/81/52/488328152.db2.gz HGULRSXQTOZFIL-UHFFFAOYSA-N 1 3 249.358 1.630 20 0 BDADHO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2N)c(C)c1 ZINC000517731008 490144620 /nfs/dbraw/zinc/14/46/20/490144620.db2.gz ZXDUTONVOWBXME-KBPBESRZSA-N 1 3 234.343 1.973 20 0 BDADHO C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000228554430 490291347 /nfs/dbraw/zinc/29/13/47/490291347.db2.gz RUTHAICUCNWNGL-GHMZBOCLSA-N 1 3 214.378 1.471 20 0 BDADHO Cc1cc(C)cc(C[N@@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313362369 490303595 /nfs/dbraw/zinc/30/35/95/490303595.db2.gz VGQNKWMUJLVUGW-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1cc(C)cc(C[N@H+]2CCCO[C@@H](CN)C2)c1 ZINC000313362369 490303598 /nfs/dbraw/zinc/30/35/98/490303598.db2.gz VGQNKWMUJLVUGW-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000383740016 491090593 /nfs/dbraw/zinc/09/05/93/491090593.db2.gz IDYGMBAKTWMGNB-IHRRRGAJSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]2CCC[C@H]2C1 ZINC000383740016 491090595 /nfs/dbraw/zinc/09/05/95/491090595.db2.gz IDYGMBAKTWMGNB-IHRRRGAJSA-N 1 3 240.391 1.419 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000228201130 491091673 /nfs/dbraw/zinc/09/16/73/491091673.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000228201130 491091674 /nfs/dbraw/zinc/09/16/74/491091674.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000228201130 491091675 /nfs/dbraw/zinc/09/16/75/491091675.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000228201130 491091676 /nfs/dbraw/zinc/09/16/76/491091676.db2.gz LMAWHYNLKLPDIC-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342752433 535529170 /nfs/dbraw/zinc/52/91/70/535529170.db2.gz OVDAUHUMQALNDG-QWHCGFSZSA-N 1 3 241.379 1.010 20 0 BDADHO CCOC(=O)CCCCCN1CCC([NH3+])CC1 ZINC000071293026 535624757 /nfs/dbraw/zinc/62/47/57/535624757.db2.gz GJDARTPNWSYKIX-UHFFFAOYSA-N 1 3 242.363 1.533 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000400597661 534032953 /nfs/dbraw/zinc/03/29/53/534032953.db2.gz DBCDWXPLOVPMTO-FRRDWIJNSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000400597661 534032957 /nfs/dbraw/zinc/03/29/57/534032957.db2.gz DBCDWXPLOVPMTO-FRRDWIJNSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400597661 534032961 /nfs/dbraw/zinc/03/29/61/534032961.db2.gz DBCDWXPLOVPMTO-FRRDWIJNSA-N 1 3 226.364 1.330 20 0 BDADHO Cc1ccc(CN[C@H](C)CCCC[NH3+])nc1 ZINC000400834677 534088442 /nfs/dbraw/zinc/08/84/42/534088442.db2.gz SDXFUNOAIVMBPS-GFCCVEGCSA-N 1 3 221.348 1.997 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120968 536137876 /nfs/dbraw/zinc/13/78/76/536137876.db2.gz GRXLJLRHXGXXKA-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000336120968 536137880 /nfs/dbraw/zinc/13/78/80/536137880.db2.gz GRXLJLRHXGXXKA-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO C[N@@H+](Cc1cccc2ccccc21)C[C@@H](O)CN ZINC000259115947 536477365 /nfs/dbraw/zinc/47/73/65/536477365.db2.gz SUONAFSMSXPWAI-AWEZNQCLSA-N 1 3 244.338 1.591 20 0 BDADHO C[N@H+](Cc1cccc2ccccc21)C[C@@H](O)CN ZINC000259115947 536477369 /nfs/dbraw/zinc/47/73/69/536477369.db2.gz SUONAFSMSXPWAI-AWEZNQCLSA-N 1 3 244.338 1.591 20 0 BDADHO COC[C@@H](C)[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173601058 536524579 /nfs/dbraw/zinc/52/45/79/536524579.db2.gz OCPOSKNVEZFTKM-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H](C)[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000173601058 536524582 /nfs/dbraw/zinc/52/45/82/536524582.db2.gz OCPOSKNVEZFTKM-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000495100838 528970697 /nfs/dbraw/zinc/97/06/97/528970697.db2.gz KJFCALJUXXPCBF-MNOVXSKESA-N 1 3 229.368 1.138 20 0 BDADHO CCOC[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000160674644 528981285 /nfs/dbraw/zinc/98/12/85/528981285.db2.gz WSBVNXVEAYQISR-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO CC[C@H]1C[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000479968677 529318142 /nfs/dbraw/zinc/31/81/42/529318142.db2.gz ZGVJIBLVZMDXFN-FQUUOJAGSA-N 1 3 238.375 1.343 20 0 BDADHO CCOCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250510402 535550720 /nfs/dbraw/zinc/55/07/20/535550720.db2.gz NOPXQGZKWNOZFH-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO CCOC(=O)CCCCC[N@@H+]1CCC[C@H](N)C1 ZINC000071293027 535625686 /nfs/dbraw/zinc/62/56/86/535625686.db2.gz DVRCVAPCTSMABA-LBPRGKRZSA-N 1 3 242.363 1.533 20 0 BDADHO CCOC(=O)CCCCC[N@H+]1CCC[C@H](N)C1 ZINC000071293027 535625687 /nfs/dbraw/zinc/62/56/87/535625687.db2.gz DVRCVAPCTSMABA-LBPRGKRZSA-N 1 3 242.363 1.533 20 0 BDADHO CCC[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169340 535675267 /nfs/dbraw/zinc/67/52/67/535675267.db2.gz VGWCOXHHDPCXRS-ZDUSSCGKSA-N 1 3 249.358 1.101 20 0 BDADHO CCC[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169028470 535679762 /nfs/dbraw/zinc/67/97/62/535679762.db2.gz ARWLCBATKZTKMI-SRVKXCTJSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000087362490 536091933 /nfs/dbraw/zinc/09/19/33/536091933.db2.gz DLHPQCCFQOVHGP-UPJWGTAASA-N 1 3 228.380 1.502 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348148507 536370436 /nfs/dbraw/zinc/37/04/36/536370436.db2.gz IOGQOOWDSSKADR-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000248881129 536375037 /nfs/dbraw/zinc/37/50/37/536375037.db2.gz KPVJYQLYUFYEDH-WTUNAVPPSA-N 1 3 237.391 1.295 20 0 BDADHO COCCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500637 536589509 /nfs/dbraw/zinc/58/95/09/536589509.db2.gz FCPMHAXNEHBALT-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1(C)C ZINC000261533896 536809512 /nfs/dbraw/zinc/80/95/12/536809512.db2.gz KXZGWWQGVJBKRS-WHOHXGKFSA-N 1 3 226.364 1.517 20 0 BDADHO COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000230287018 537039698 /nfs/dbraw/zinc/03/96/98/537039698.db2.gz HLVFAVJYALXGHD-UONOGXRCSA-N 1 3 248.370 1.955 20 0 BDADHO COc1ccccc1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000230287018 537039701 /nfs/dbraw/zinc/03/97/01/537039701.db2.gz HLVFAVJYALXGHD-UONOGXRCSA-N 1 3 248.370 1.955 20 0 BDADHO C1=C[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000854221803 588780354 /nfs/dbraw/zinc/78/03/54/588780354.db2.gz VRUNRWJBEAEJNI-IGQOVBAYSA-N 1 3 236.359 1.452 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@]12OCCC[C@H]1C2(F)F ZINC000854229758 588780903 /nfs/dbraw/zinc/78/09/03/588780903.db2.gz WQYDKKGVJBBWLG-MMWGEVLESA-N 1 3 248.317 1.516 20 0 BDADHO Cc1cc(N)nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000892824429 582989393 /nfs/dbraw/zinc/98/93/93/582989393.db2.gz QQZLWCXUKHHJAR-MNOVXSKESA-N 1 3 249.362 1.652 20 0 BDADHO COc1ccc(CNCC2CC[NH+](C)CC2)o1 ZINC000892943778 583014375 /nfs/dbraw/zinc/01/43/75/583014375.db2.gz JFFYJDJXQYGBQZ-UHFFFAOYSA-N 1 3 238.331 1.720 20 0 BDADHO CC(C)C1C[NH+](CC2CCN(C)CC2)C1 ZINC000894135864 583314391 /nfs/dbraw/zinc/31/43/91/583314391.db2.gz XMESGTTVDHPAFT-UHFFFAOYSA-N 1 3 210.365 1.916 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)CC[C@@H]21 ZINC000877742091 583345854 /nfs/dbraw/zinc/34/58/54/583345854.db2.gz OKONTYMDENYIAI-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCO3)CC[C@@H]21 ZINC000877742091 583345856 /nfs/dbraw/zinc/34/58/56/583345856.db2.gz OKONTYMDENYIAI-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000894568718 583484745 /nfs/dbraw/zinc/48/47/45/583484745.db2.gz NMFGQZXOSUANIK-CQSZACIVSA-N 1 3 248.374 1.472 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000894568718 583484748 /nfs/dbraw/zinc/48/47/48/583484748.db2.gz NMFGQZXOSUANIK-CQSZACIVSA-N 1 3 248.374 1.472 20 0 BDADHO CC(C)N(CC1CC[NH+](C)CC1)C1COC1 ZINC000894659298 583504474 /nfs/dbraw/zinc/50/44/74/583504474.db2.gz QPLUCPVGBOBMQE-UHFFFAOYSA-N 1 3 226.364 1.437 20 0 BDADHO CS[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894691664 583507557 /nfs/dbraw/zinc/50/75/57/583507557.db2.gz APGIHFDCRJUOFY-LBPRGKRZSA-N 1 3 228.405 1.766 20 0 BDADHO CS[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894691664 583507559 /nfs/dbraw/zinc/50/75/59/583507559.db2.gz APGIHFDCRJUOFY-LBPRGKRZSA-N 1 3 228.405 1.766 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C2CCC(CO)CC2)C1 ZINC000304569952 583528770 /nfs/dbraw/zinc/52/87/70/583528770.db2.gz HUNOTZJMADKSIZ-KPFVRQRISA-N 1 3 226.364 1.397 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(c3ccncc3CO)CC[C@H]21 ZINC000895022066 583569469 /nfs/dbraw/zinc/56/94/69/583569469.db2.gz JYDGGGJQCVRBSZ-DGCLKSJQSA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(c3ccncc3CO)CC[C@H]21 ZINC000895022066 583569471 /nfs/dbraw/zinc/56/94/71/583569471.db2.gz JYDGGGJQCVRBSZ-DGCLKSJQSA-N 1 3 247.342 1.104 20 0 BDADHO CC[C@H](C)[C@H](CNCC[C@@H](C)[NH+](C)C)OC ZINC000895291671 583636940 /nfs/dbraw/zinc/63/69/40/583636940.db2.gz AHMXWBDAWYOUPD-XQQFMLRXSA-N 1 3 230.396 1.977 20 0 BDADHO CS[C@@H]1CC[C@@H]1[NH2+]CC[C@@H](C)N(C)C ZINC000895291373 583637048 /nfs/dbraw/zinc/63/70/48/583637048.db2.gz FAJPIINLFCTBEI-OUAUKWLOSA-N 1 3 216.394 1.810 20 0 BDADHO CS[C@@H]1CC[C@@H]1NCC[C@@H](C)[NH+](C)C ZINC000895291373 583637050 /nfs/dbraw/zinc/63/70/50/583637050.db2.gz FAJPIINLFCTBEI-OUAUKWLOSA-N 1 3 216.394 1.810 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000895290785 583637562 /nfs/dbraw/zinc/63/75/62/583637562.db2.gz UIRXYKOOHPYNSO-TUAOUCFPSA-N 1 3 242.363 1.258 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](NCC[C@H](C)[NH+](C)C)C1 ZINC000895290785 583637563 /nfs/dbraw/zinc/63/75/63/583637563.db2.gz UIRXYKOOHPYNSO-TUAOUCFPSA-N 1 3 242.363 1.258 20 0 BDADHO CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000895587295 583694372 /nfs/dbraw/zinc/69/43/72/583694372.db2.gz ODQXEUVDJAYESO-DGCLKSJQSA-N 1 3 242.363 1.260 20 0 BDADHO CCO[C@H](CNC[C@@H]1CCC=CO1)C[NH+](C)C ZINC000896879532 583844892 /nfs/dbraw/zinc/84/48/92/583844892.db2.gz CWCHVTSQNZVDKY-QWHCGFSZSA-N 1 3 242.363 1.235 20 0 BDADHO C[NH+]1CCC(C[NH2+]Cc2cncc([O-])c2)CC1 ZINC000897305627 583912589 /nfs/dbraw/zinc/91/25/89/583912589.db2.gz YZFNZFCNCGZDAK-UHFFFAOYSA-N 1 3 235.331 1.219 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CNc2ccnc(CO)c2)C1 ZINC000858367386 588949009 /nfs/dbraw/zinc/94/90/09/588949009.db2.gz NTOVRMRFYZEOES-GFCCVEGCSA-N 1 3 249.358 1.716 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CNc2ccnc(CO)c2)C1 ZINC000858367386 588949011 /nfs/dbraw/zinc/94/90/11/588949011.db2.gz NTOVRMRFYZEOES-GFCCVEGCSA-N 1 3 249.358 1.716 20 0 BDADHO CC(C)[NH+]1CCC(NCC[C@@H](O)C2CC2)CC1 ZINC000898202869 584089623 /nfs/dbraw/zinc/08/96/23/584089623.db2.gz DUWPZIZBVCHZCC-CQSZACIVSA-N 1 3 240.391 1.610 20 0 BDADHO C[NH+](C)[C@H]1CCCN(c2ccnc(CO)c2)CC1 ZINC000858515402 588962260 /nfs/dbraw/zinc/96/22/60/588962260.db2.gz KDZASVXXGCFTBD-ZDUSSCGKSA-N 1 3 249.358 1.494 20 0 BDADHO C[C@@H]([NH3+])c1ccc(-c2cnn(C)c2CN)cc1 ZINC000899323938 584196451 /nfs/dbraw/zinc/19/64/51/584196451.db2.gz WBRNYFQNMUPUPA-SECBINFHSA-N 1 3 230.315 1.566 20 0 BDADHO C[NH+](C)C1CCC(Nc2ccnc(CO)c2)CC1 ZINC000858573470 588967587 /nfs/dbraw/zinc/96/75/87/588967587.db2.gz GSCDQPGLHLWQPL-UHFFFAOYSA-N 1 3 249.358 1.859 20 0 BDADHO Cc1cc(N2CCC[C@]23CC[NH2+]C3)ccn1 ZINC000900453191 584313405 /nfs/dbraw/zinc/31/34/05/584313405.db2.gz YLMINXGXSAFPGQ-CYBMUJFWSA-N 1 3 217.316 1.722 20 0 BDADHO CCOCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902320945 584552371 /nfs/dbraw/zinc/55/23/71/584552371.db2.gz TVJVTBAPCTUEPA-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2CCCO2)C1 ZINC000902317406 584556459 /nfs/dbraw/zinc/55/64/59/584556459.db2.gz JWZJIGHOKIPJBD-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902349277 584559697 /nfs/dbraw/zinc/55/96/97/584559697.db2.gz YNLPJJJEKHHCQP-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H](CCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902358551 584570415 /nfs/dbraw/zinc/57/04/15/584570415.db2.gz CMIIGRRBXBOHJZ-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](CCO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360327 584571687 /nfs/dbraw/zinc/57/16/87/584571687.db2.gz KWDAMWGTGLKHTN-QWRGUYRKSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H](CCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902360327 584571690 /nfs/dbraw/zinc/57/16/90/584571690.db2.gz KWDAMWGTGLKHTN-QWRGUYRKSA-N 1 3 214.353 1.125 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000902406639 584573703 /nfs/dbraw/zinc/57/37/03/584573703.db2.gz OUHYGZDVVNRWOD-SRVKXCTJSA-N 1 3 226.364 1.125 20 0 BDADHO CC(C)O[C@H]1C[C@H](NCC2([NH3+])CC2)C1(C)C ZINC000902407194 584574828 /nfs/dbraw/zinc/57/48/28/584574828.db2.gz QALSAETUIQKKAI-QWRGUYRKSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403498 584588016 /nfs/dbraw/zinc/58/80/16/584588016.db2.gz HKHDQSYFQQJMOA-UTUOFQBUSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)NCC1([NH3+])CC1 ZINC000902417521 584591290 /nfs/dbraw/zinc/59/12/90/584591290.db2.gz RXLZIWJTEMKOLS-SNVBAGLBSA-N 1 3 222.307 1.838 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902448560 584605431 /nfs/dbraw/zinc/60/54/31/584605431.db2.gz GNNAPCYBSNTHML-RAIGVLPGSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@H]([NH2+][C@@H]1CNCC1(C)C)C1CCOCC1 ZINC000902449392 584606097 /nfs/dbraw/zinc/60/60/97/584606097.db2.gz NUHBQVWZTCOILT-CMPLNLGQSA-N 1 3 226.364 1.389 20 0 BDADHO CC1(C)CNC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000902451960 584607645 /nfs/dbraw/zinc/60/76/45/584607645.db2.gz ZGGZYGHWMZQRLW-NSHDSACASA-N 1 3 208.349 1.763 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454784 584609220 /nfs/dbraw/zinc/60/92/20/584609220.db2.gz VQMFLDLOOAPDJK-NFIBXUFNSA-N 1 3 236.359 1.412 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902458531 584611011 /nfs/dbraw/zinc/61/10/11/584611011.db2.gz VOKJLUOZLRFZGH-RXGFPQBGSA-N 1 3 208.349 1.892 20 0 BDADHO C[C@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)C1CNC1 ZINC000902462667 584611985 /nfs/dbraw/zinc/61/19/85/584611985.db2.gz XECXGDNEJVLRTA-WCFLWFBJSA-N 1 3 236.359 1.143 20 0 BDADHO Cn1ccnc1[C@H](N[C@H]1C[C@H](C[NH3+])C1)C1CC1 ZINC000902491799 584618419 /nfs/dbraw/zinc/61/84/19/584618419.db2.gz ZWTQDVDOLQAFDJ-YUSALJHKSA-N 1 3 234.347 1.198 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC[C@@H](O)C1CC1 ZINC000902504582 584621360 /nfs/dbraw/zinc/62/13/60/584621360.db2.gz OVFHTCTYFJKLOA-FRRDWIJNSA-N 1 3 226.364 1.397 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCC[C@H](O)C1CC1 ZINC000902504584 584621671 /nfs/dbraw/zinc/62/16/71/584621671.db2.gz OVFHTCTYFJKLOA-UPJWGTAASA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H](NC[C@@H]1CCCCC[NH2+]1)C1CCOCC1 ZINC000902483966 584624918 /nfs/dbraw/zinc/62/49/18/584624918.db2.gz TZSJHFUTMXWVQB-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1cc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)nn1C ZINC000902485702 584625498 /nfs/dbraw/zinc/62/54/98/584625498.db2.gz MYLQRUUNSDZLIJ-DCAQKATOSA-N 1 3 222.336 1.116 20 0 BDADHO CC(C)n1cc([C@H](C)N[C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902486580 584625797 /nfs/dbraw/zinc/62/57/97/584625797.db2.gz HGROIKKRLVPSCZ-GVXVVHGQSA-N 1 3 236.363 1.852 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902487114 584626208 /nfs/dbraw/zinc/62/62/08/584626208.db2.gz JTLPISRWHWXPNA-DCAQKATOSA-N 1 3 205.305 1.470 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2C[C@H](C[NH3+])C2)c2nccn21 ZINC000902487318 584626280 /nfs/dbraw/zinc/62/62/80/584626280.db2.gz SUEQTTJCBZMIQE-XWLWVQCSSA-N 1 3 220.320 1.216 20 0 BDADHO Cc1nccnc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487925 584626595 /nfs/dbraw/zinc/62/65/95/584626595.db2.gz VWIFQBGFSVJNPI-GMTAPVOTSA-N 1 3 220.320 1.173 20 0 BDADHO Cc1ncccc1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000902514164 584629404 /nfs/dbraw/zinc/62/94/04/584629404.db2.gz RJQRHBJGVACJNK-OLZOCXBDSA-N 1 3 219.332 1.402 20 0 BDADHO CCO[C@H](CN[C@@H]1CCC[C@H]1OC)C[NH+](C)C ZINC000903224272 584738251 /nfs/dbraw/zinc/73/82/51/584738251.db2.gz SYZCZXFLWXNKAY-JHJVBQTASA-N 1 3 244.379 1.110 20 0 BDADHO C[C@@H]1[C@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)CCN1C ZINC000903300686 584743553 /nfs/dbraw/zinc/74/35/53/584743553.db2.gz LFVNRJNAQFLUTL-FRRDWIJNSA-N 1 3 239.407 1.541 20 0 BDADHO c1ccc([C@@H]2CNCCN2C[C@H]2CCC[NH2+]2)cc1 ZINC000903459455 584766148 /nfs/dbraw/zinc/76/61/48/584766148.db2.gz TYGVBJOEXWCUDR-CABCVRRESA-N 1 3 245.370 1.385 20 0 BDADHO C=C/C=C/CC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470994 584775416 /nfs/dbraw/zinc/77/54/16/584775416.db2.gz GDAMBFUJTIKWEP-AAOUONPWSA-N 1 3 206.333 1.993 20 0 BDADHO C1=CCC(C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000903471476 584775696 /nfs/dbraw/zinc/77/56/96/584775696.db2.gz JPCQAPMAOQENMJ-LBPRGKRZSA-N 1 3 206.333 1.827 20 0 BDADHO CN(CCCF)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903784224 584800060 /nfs/dbraw/zinc/80/00/60/584800060.db2.gz LXUXCRAZVARDHB-NWDGAFQWSA-N 1 3 230.327 1.046 20 0 BDADHO FC1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903783431 584800509 /nfs/dbraw/zinc/80/05/09/584800509.db2.gz YRUONBREWIOLHL-QWHCGFSZSA-N 1 3 242.338 1.189 20 0 BDADHO C[C@H]1CCOCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903833370 584806220 /nfs/dbraw/zinc/80/62/20/584806220.db2.gz VAQWXEMMEFFOTO-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903856194 584809169 /nfs/dbraw/zinc/80/91/69/584809169.db2.gz QIKITQPULRUASU-UONOGXRCSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903856194 584809170 /nfs/dbraw/zinc/80/91/70/584809170.db2.gz QIKITQPULRUASU-UONOGXRCSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856194 584809171 /nfs/dbraw/zinc/80/91/71/584809171.db2.gz QIKITQPULRUASU-UONOGXRCSA-N 1 3 248.374 1.395 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CC[C@@H]1CCCO1 ZINC000903856545 584809187 /nfs/dbraw/zinc/80/91/87/584809187.db2.gz ABOKYPBBFDCKFI-RWMBFGLXSA-N 1 3 224.348 1.369 20 0 BDADHO CCOCCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857985 584810432 /nfs/dbraw/zinc/81/04/32/584810432.db2.gz XDBTYOVOZABXMR-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO CO[C@H]1C[C@@H](CN2CC[C@H]3CC[C@]32C[NH3+])C1 ZINC000903860985 584812102 /nfs/dbraw/zinc/81/21/02/584812102.db2.gz VERDMQJFKHRPRN-NDBYEHHHSA-N 1 3 224.348 1.225 20 0 BDADHO CCO[C@H](CN1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC000903860031 584812147 /nfs/dbraw/zinc/81/21/47/584812147.db2.gz QASRLUXJVGFWRI-MJBXVCDLSA-N 1 3 238.375 1.615 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903860644 584812393 /nfs/dbraw/zinc/81/23/93/584812393.db2.gz SNKZICSHWSQMRG-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903860644 584812394 /nfs/dbraw/zinc/81/23/94/584812394.db2.gz SNKZICSHWSQMRG-QWHCGFSZSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@]1(C2CC2)COCCN1CC[C@H]1CC[NH2+]C1 ZINC000903881621 584817975 /nfs/dbraw/zinc/81/79/75/584817975.db2.gz HWFLEHIOVUJSLV-TZMCWYRMSA-N 1 3 238.375 1.487 20 0 BDADHO NC[C@@H]([NH2+]C[C@H](N)CC(F)F)C1CCCC1 ZINC000903919065 584823299 /nfs/dbraw/zinc/82/32/99/584823299.db2.gz LEDMQGCSYQSFJF-NXEZZACHSA-N 1 3 235.322 1.076 20 0 BDADHO CN(CC[NH2+]C[C@@H](N)CC(F)F)C1CCCC1 ZINC000903923439 584823696 /nfs/dbraw/zinc/82/36/96/584823696.db2.gz UJCOHNMWQWABRS-JTQLQIEISA-N 1 3 249.349 1.433 20 0 BDADHO CC(C)([NH3+])CCNCc1ccc2c[nH]nc2c1 ZINC000903939384 584823921 /nfs/dbraw/zinc/82/39/21/584823921.db2.gz ZBUITDFXSZLOOO-UHFFFAOYSA-N 1 3 232.331 1.780 20 0 BDADHO FC[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000903929461 584824582 /nfs/dbraw/zinc/82/45/82/584824582.db2.gz GGGYHSDQHCAYDF-PSEXLTFBSA-N 1 3 242.338 1.187 20 0 BDADHO NC[C@@H]([NH2+]C[C@H](N)CC(F)F)C1CCCCC1 ZINC000903915866 584827340 /nfs/dbraw/zinc/82/73/40/584827340.db2.gz CQWPDEIUTKUASH-GHMZBOCLSA-N 1 3 249.349 1.466 20 0 BDADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCc1cc(N)ccn1 ZINC000903953866 584831615 /nfs/dbraw/zinc/83/16/15/584831615.db2.gz MIJWJBGOBPMNRI-CMPLNLGQSA-N 1 3 234.347 1.284 20 0 BDADHO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CNC[C@H]1C ZINC000903964792 584834357 /nfs/dbraw/zinc/83/43/57/584834357.db2.gz VYZQKMPZTJKNQH-IWSPIJDZSA-N 1 3 224.270 1.915 20 0 BDADHO CCCC[C@@H](COC)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967503 584834853 /nfs/dbraw/zinc/83/48/53/584834853.db2.gz KABYKXFHBBGOKF-AGIUHOORSA-N 1 3 228.380 1.637 20 0 BDADHO CC[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346570 584868088 /nfs/dbraw/zinc/86/80/88/584868088.db2.gz UFGAJKAFTLMTJX-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)C[C@H]1O ZINC000904346570 584868089 /nfs/dbraw/zinc/86/80/89/584868089.db2.gz UFGAJKAFTLMTJX-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)C[C@H]1O ZINC000904346570 584868090 /nfs/dbraw/zinc/86/80/90/584868090.db2.gz UFGAJKAFTLMTJX-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO c1cn(C2CC2)c(CNCC[C@H]2CC[NH2+]C2)n1 ZINC000904352838 584869827 /nfs/dbraw/zinc/86/98/27/584869827.db2.gz CVDXFVUWTUYLRM-LLVKDONJSA-N 1 3 234.347 1.307 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@@H](C3CCC3)C2)C1 ZINC000904371156 584873077 /nfs/dbraw/zinc/87/30/77/584873077.db2.gz KKKWTMHLEWCLKS-KGYLQXTDSA-N 1 3 224.348 1.225 20 0 BDADHO Cc1ccc2[nH]c(CNC3CC(C[NH3+])C3)nc2c1 ZINC000904364893 584874848 /nfs/dbraw/zinc/87/48/48/584874848.db2.gz SFAHMBMWGOTEAR-UHFFFAOYSA-N 1 3 244.342 1.698 20 0 BDADHO Cc1ccc2nc(CNC3CC(C[NH3+])C3)[nH]c2c1 ZINC000904364893 584874849 /nfs/dbraw/zinc/87/48/49/584874849.db2.gz SFAHMBMWGOTEAR-UHFFFAOYSA-N 1 3 244.342 1.698 20 0 BDADHO Cc1csc([C@@H](C)NC2CC(C[NH3+])C2)n1 ZINC000904365939 584874957 /nfs/dbraw/zinc/87/49/57/584874957.db2.gz CCWYNWMMEQZJFX-XNWIYYODSA-N 1 3 225.361 1.839 20 0 BDADHO COc1ccc2c(c1)CCN(C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904379287 584876672 /nfs/dbraw/zinc/87/66/72/584876672.db2.gz SKJBXNRHHAVSLU-VDISTLRHSA-N 1 3 246.354 1.791 20 0 BDADHO [NH3+]CC[C@@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000904409607 584879188 /nfs/dbraw/zinc/87/91/88/584879188.db2.gz DJGXAINXTXHOJE-LLVKDONJSA-N 1 3 248.326 1.586 20 0 BDADHO CCn1cc(CN2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000904411088 584879860 /nfs/dbraw/zinc/87/98/60/584879860.db2.gz JYDYSCQYVGDWFK-DGCLKSJQSA-N 1 3 236.363 1.320 20 0 BDADHO C[C@H]1CCCN1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817912552 584991186 /nfs/dbraw/zinc/99/11/86/584991186.db2.gz HHDCEKZWNYNGNX-ICIURTGMSA-N 1 3 237.391 1.343 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)C2CC2)CC1 ZINC000838969443 585082858 /nfs/dbraw/zinc/08/28/58/585082858.db2.gz XTWVLXZLTDSGHB-STQMWFEESA-N 1 3 226.364 1.173 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)C2CC2)CC1 ZINC000838969443 585082859 /nfs/dbraw/zinc/08/28/59/585082859.db2.gz XTWVLXZLTDSGHB-STQMWFEESA-N 1 3 226.364 1.173 20 0 BDADHO C[NH+](C)[C@H]1CCCN(C[C@H](O)C2CC2)CC1 ZINC000838969443 585082860 /nfs/dbraw/zinc/08/28/60/585082860.db2.gz XTWVLXZLTDSGHB-STQMWFEESA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](CCO)[NH2+]C[C@H](C)CN1CCCC1 ZINC000779340696 585751992 /nfs/dbraw/zinc/75/19/92/585751992.db2.gz IZTPHCWBQQQRSB-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](CCO)NC[C@H](C)C[NH+]1CCCC1 ZINC000779340696 585751993 /nfs/dbraw/zinc/75/19/93/585751993.db2.gz IZTPHCWBQQQRSB-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](CCO)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000779383237 585752822 /nfs/dbraw/zinc/75/28/22/585752822.db2.gz MGPNBYVMOHRRCA-GFCCVEGCSA-N 1 3 236.359 1.609 20 0 BDADHO CC(C)[NH+](CCCN[C@@H](C)CCO)C(C)C ZINC000779399710 585753402 /nfs/dbraw/zinc/75/34/02/585753402.db2.gz OLHZAEZHKYTDHV-ZDUSSCGKSA-N 1 3 230.396 1.856 20 0 BDADHO CC[C@@H](C)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000783646605 585839292 /nfs/dbraw/zinc/83/92/92/585839292.db2.gz DYDSMIOERCFAGY-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000788471858 585925262 /nfs/dbraw/zinc/92/52/62/585925262.db2.gz VLWUZWSNFZYCMG-NSHDSACASA-N 1 3 212.337 1.049 20 0 BDADHO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788615647 585927798 /nfs/dbraw/zinc/92/77/98/585927798.db2.gz WFWGXOOZLGTWFM-NWDGAFQWSA-N 1 3 249.358 1.922 20 0 BDADHO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1cc[nH]c(=O)c1 ZINC000788615647 585927799 /nfs/dbraw/zinc/92/77/99/585927799.db2.gz WFWGXOOZLGTWFM-NWDGAFQWSA-N 1 3 249.358 1.922 20 0 BDADHO C[N@H+](CCCN1CCCC1)CCC1OCCO1 ZINC000799175274 586164973 /nfs/dbraw/zinc/16/49/73/586164973.db2.gz UGYALXVCHNDOAH-UHFFFAOYSA-N 1 3 242.363 1.167 20 0 BDADHO C[N@@H+](CCCN1CCCC1)CCC1OCCO1 ZINC000799175274 586164975 /nfs/dbraw/zinc/16/49/75/586164975.db2.gz UGYALXVCHNDOAH-UHFFFAOYSA-N 1 3 242.363 1.167 20 0 BDADHO CN(C/C=C\Cl)CCCN(C)CC[NH+](C)C ZINC000808781272 586489851 /nfs/dbraw/zinc/48/98/51/586489851.db2.gz CYBHBIUNWLOOFB-ALCCZGGFSA-N 1 3 247.814 1.554 20 0 BDADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325732 586600215 /nfs/dbraw/zinc/60/02/15/586600215.db2.gz JSQOUWZVMVPRBV-VXGBXAGGSA-N 1 3 249.358 1.780 20 0 BDADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325732 586600216 /nfs/dbraw/zinc/60/02/16/586600216.db2.gz JSQOUWZVMVPRBV-VXGBXAGGSA-N 1 3 249.358 1.780 20 0 BDADHO C[C@@H](NCCN1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912359 586831461 /nfs/dbraw/zinc/83/14/61/586831461.db2.gz GJFOLGAYJMAQTG-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000817890743 586832571 /nfs/dbraw/zinc/83/25/71/586832571.db2.gz YJKMAVSNRCRCKN-BPLDGKMQSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1cccnc1 ZINC000817893298 586833808 /nfs/dbraw/zinc/83/38/08/586833808.db2.gz QZUFORTWCCKWSJ-GXTWGEPZSA-N 1 3 249.358 1.438 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)c1ccccc1 ZINC000817894327 586834150 /nfs/dbraw/zinc/83/41/50/586834150.db2.gz LLAKNQKJQUSKQS-LOWVWBTDSA-N 1 3 222.332 1.435 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@@H]2CNCC[C@H]2C)cc1 ZINC000817895631 586834574 /nfs/dbraw/zinc/83/45/74/586834574.db2.gz WNWNZJBAJJFWLE-TYNCELHUSA-N 1 3 248.370 1.828 20 0 BDADHO C[C@@H](NCCN1CCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000817912354 586837975 /nfs/dbraw/zinc/83/79/75/586837975.db2.gz GJFOLGAYJMAQTG-JHJVBQTASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H](NCCN1CCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912787 586838593 /nfs/dbraw/zinc/83/85/93/586838593.db2.gz IONVZQXFYKGTBY-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1N)c1cccs1 ZINC000817913289 586838855 /nfs/dbraw/zinc/83/88/55/586838855.db2.gz NHBALKMMAQCTAH-FOGDFJRCSA-N 1 3 240.372 1.425 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@](C)(O)c1ccccc1 ZINC000817913382 586839513 /nfs/dbraw/zinc/83/95/13/586839513.db2.gz OLFJMAUAROLMBA-OUCADQQQSA-N 1 3 236.359 1.610 20 0 BDADHO c1[nH]nc2c1[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976623 586860291 /nfs/dbraw/zinc/86/02/91/586860291.db2.gz PSLIIIXYFOOALX-WCQYABFASA-N 1 3 246.358 1.519 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](N(C)CCN2CCCC2)C1 ZINC000832778614 587688514 /nfs/dbraw/zinc/68/85/14/587688514.db2.gz MPAVKSVIGXVGHM-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](N(C)CCN2CCCC2)C1 ZINC000832778614 587688516 /nfs/dbraw/zinc/68/85/16/587688516.db2.gz MPAVKSVIGXVGHM-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO NCc1cccc(C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000834582609 587759897 /nfs/dbraw/zinc/75/98/97/587759897.db2.gz WFVXRTZNEKSKJN-ZDUSSCGKSA-N 1 3 247.342 1.017 20 0 BDADHO CC1CCN(CCC[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000840742680 587919298 /nfs/dbraw/zinc/91/92/98/587919298.db2.gz USCWSJQBJPKAID-CQSZACIVSA-N 1 3 240.391 1.469 20 0 BDADHO CC1CC[NH+](CCCNC[C@@H](O)C2CC2)CC1 ZINC000840742680 587919300 /nfs/dbraw/zinc/91/93/00/587919300.db2.gz USCWSJQBJPKAID-CQSZACIVSA-N 1 3 240.391 1.469 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841072956 587942403 /nfs/dbraw/zinc/94/24/03/587942403.db2.gz SYOXTFNZEBVZRA-LNFKQOIKSA-N 1 3 246.445 1.693 20 0 BDADHO c1cc2c(cc1NC1CC[NH2+]CC1)CNCCO2 ZINC000841082138 587944675 /nfs/dbraw/zinc/94/46/75/587944675.db2.gz IFPTXBUQFBUPOF-UHFFFAOYSA-N 1 3 247.342 1.333 20 0 BDADHO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC2(C)C)CCO1 ZINC000841086617 587945819 /nfs/dbraw/zinc/94/58/19/587945819.db2.gz OSUSFAQJSDLLHZ-GRYCIOLGSA-N 1 3 226.364 1.532 20 0 BDADHO CCNCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000841849156 587978036 /nfs/dbraw/zinc/97/80/36/587978036.db2.gz XZRIOEDFEMZJTD-UHFFFAOYSA-N 1 3 241.379 1.025 20 0 BDADHO c1ccc([C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113926 588082077 /nfs/dbraw/zinc/08/20/77/588082077.db2.gz BOCOUEUZNCGUQY-UONOGXRCSA-N 1 3 245.370 1.871 20 0 BDADHO Cc1ccc(CNCCCCCC[NH3+])nc1 ZINC000843126491 588084788 /nfs/dbraw/zinc/08/47/88/588084788.db2.gz HBMXJGLVAZAPDG-UHFFFAOYSA-N 1 3 221.348 1.999 20 0 BDADHO Cc1nccnc1[C@@H](C)NCCCCCC[NH3+] ZINC000843342822 588101328 /nfs/dbraw/zinc/10/13/28/588101328.db2.gz UUSWUNVLPQYVOK-LLVKDONJSA-N 1 3 236.363 1.955 20 0 BDADHO CCCCOC(=O)CC[N@H+](C)C1CCNCC1 ZINC000843345664 588102064 /nfs/dbraw/zinc/10/20/64/588102064.db2.gz CQVRBRMDEFVZND-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO CCCCOC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000843345664 588102065 /nfs/dbraw/zinc/10/20/65/588102065.db2.gz CQVRBRMDEFVZND-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO C[C@@H](c1cnccn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364708 588104653 /nfs/dbraw/zinc/10/46/53/588104653.db2.gz LQAMOQGDKFUIDD-LBPRGKRZSA-N 1 3 246.358 1.613 20 0 BDADHO C[N@H+](Cc1ccc2c(c1)COC2)[C@H](CN)C1CC1 ZINC000843386339 588105803 /nfs/dbraw/zinc/10/58/03/588105803.db2.gz HCUUXJQXEDTHKM-OAHLLOKOSA-N 1 3 246.354 1.886 20 0 BDADHO C[N@@H+](Cc1ccc2c(c1)COC2)[C@H](CN)C1CC1 ZINC000843386339 588105805 /nfs/dbraw/zinc/10/58/05/588105805.db2.gz HCUUXJQXEDTHKM-OAHLLOKOSA-N 1 3 246.354 1.886 20 0 BDADHO CCNCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000844182012 588172478 /nfs/dbraw/zinc/17/24/78/588172478.db2.gz HSZHZFJKETXVHQ-UHFFFAOYSA-N 1 3 249.358 1.339 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@@H](C)CCO ZINC000846178048 588259176 /nfs/dbraw/zinc/25/91/76/588259176.db2.gz SQYHQELRYGRTCM-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@@H](C)CCO ZINC000846178048 588259177 /nfs/dbraw/zinc/25/91/77/588259177.db2.gz SQYHQELRYGRTCM-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCF)C1 ZINC000846227761 588262082 /nfs/dbraw/zinc/26/20/82/588262082.db2.gz HDUNOFSXQZXOKI-UTUOFQBUSA-N 1 3 230.327 1.317 20 0 BDADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(CN)c1 ZINC000846744352 588284402 /nfs/dbraw/zinc/28/44/02/588284402.db2.gz YXTYAPAIKVECBS-GWCFXTLKSA-N 1 3 247.342 1.097 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2cccnc2)C1 ZINC000848718125 588407987 /nfs/dbraw/zinc/40/79/87/588407987.db2.gz YHRSMEYSTGSOCU-VXGBXAGGSA-N 1 3 235.331 1.320 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@H]([NH3+])C2)o1 ZINC000848719566 588408572 /nfs/dbraw/zinc/40/85/72/588408572.db2.gz JUDUSSFQUKHJLZ-SDDRHHMPSA-N 1 3 238.331 1.481 20 0 BDADHO CC(C)NC(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC000848981192 588423732 /nfs/dbraw/zinc/42/37/32/588423732.db2.gz ZDSRIVMKWFSIFQ-UHFFFAOYSA-N 1 3 240.395 1.773 20 0 BDADHO CC(C)NC(=[NH2+])NCC1(CN(C)C)CCCC1 ZINC000849018964 588438278 /nfs/dbraw/zinc/43/82/78/588438278.db2.gz SNVQVYBGZBDKLU-UHFFFAOYSA-N 1 3 240.395 1.631 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000849027963 588441429 /nfs/dbraw/zinc/44/14/29/588441429.db2.gz SPEZATYHGZPWCT-NSHDSACASA-N 1 3 226.368 1.383 20 0 BDADHO FC(F)OCC[N@H+](C1CC1)C1CCNCC1 ZINC000852743891 588699159 /nfs/dbraw/zinc/69/91/59/588699159.db2.gz NFLOOUOTIWKHLE-UHFFFAOYSA-N 1 3 234.290 1.442 20 0 BDADHO FC(F)OCC[N@@H+](C1CC1)C1CCNCC1 ZINC000852743891 588699160 /nfs/dbraw/zinc/69/91/60/588699160.db2.gz NFLOOUOTIWKHLE-UHFFFAOYSA-N 1 3 234.290 1.442 20 0 BDADHO Cc1nc(C)c(CNCCOCCC[NH3+])s1 ZINC000863484022 589293012 /nfs/dbraw/zinc/29/30/12/589293012.db2.gz GMMWGAGSQJBJCB-UHFFFAOYSA-N 1 3 243.376 1.215 20 0 BDADHO Nc1ncccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000863541465 589297312 /nfs/dbraw/zinc/29/73/12/589297312.db2.gz JGPDUGSFBZHYKZ-UHFFFAOYSA-N 1 3 246.358 1.239 20 0 BDADHO c1cc(C2=CC[NH2+]CC2)cc2c1CNC2 ZINC000863712541 589312433 /nfs/dbraw/zinc/31/24/33/589312433.db2.gz ZPXGYMWQVIXIJA-UHFFFAOYSA-N 1 3 200.285 1.667 20 0 BDADHO CC[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)N1CCCC1 ZINC000864453208 589365403 /nfs/dbraw/zinc/36/54/03/589365403.db2.gz LJQBACSPIJFOPF-TUAOUCFPSA-N 1 3 238.379 1.383 20 0 BDADHO CCC(CC)NC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000864457861 589367924 /nfs/dbraw/zinc/36/79/24/589367924.db2.gz VMVAFDTXBXWKKK-NSHDSACASA-N 1 3 240.395 1.631 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866706215 589514553 /nfs/dbraw/zinc/51/45/53/589514553.db2.gz NGRBMERKKSLHGX-WCQYABFASA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866706215 589514554 /nfs/dbraw/zinc/51/45/54/589514554.db2.gz NGRBMERKKSLHGX-WCQYABFASA-N 1 3 228.380 1.718 20 0 BDADHO Cc1cncc([C@@H]2CCCN2CCOCC[NH3+])c1 ZINC000866719805 589515259 /nfs/dbraw/zinc/51/52/59/589515259.db2.gz DJZLOSUOLNTCMT-AWEZNQCLSA-N 1 3 249.358 1.502 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1N ZINC000122263253 589573449 /nfs/dbraw/zinc/57/34/49/589573449.db2.gz ABSJXLIEXNCAMA-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CC[C@@H]1N ZINC000122263253 589573451 /nfs/dbraw/zinc/57/34/51/589573451.db2.gz ABSJXLIEXNCAMA-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000122263253 589573453 /nfs/dbraw/zinc/57/34/53/589573453.db2.gz ABSJXLIEXNCAMA-XQQFMLRXSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@H]1CC2(CCC2)CO1 ZINC000872141813 589882229 /nfs/dbraw/zinc/88/22/29/589882229.db2.gz URENPENCVXGHOE-OLZOCXBDSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC1 ZINC000872141608 589882678 /nfs/dbraw/zinc/88/26/78/589882678.db2.gz LMBMEPOIHOEVHO-SCUASFONSA-N 1 3 238.375 1.661 20 0 BDADHO CN(CCCCCC[NH3+])Cc1cccnc1N ZINC000872158221 589886541 /nfs/dbraw/zinc/88/65/41/589886541.db2.gz UBJXSCCKOTYJNY-UHFFFAOYSA-N 1 3 236.363 1.615 20 0 BDADHO COCC[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000872253881 589901342 /nfs/dbraw/zinc/90/13/42/589901342.db2.gz LRUMXUDRYJLDON-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@]12CCC[C@H]1OCC2 ZINC000872315056 589910283 /nfs/dbraw/zinc/91/02/83/589910283.db2.gz LCXLLFUEPIANGF-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@]12CCC[C@H]1OCC2 ZINC000872315056 589910284 /nfs/dbraw/zinc/91/02/84/589910284.db2.gz LCXLLFUEPIANGF-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]([NH3+])CN(C)Cc1cc2c(s1)CCNC2 ZINC000873212077 589995787 /nfs/dbraw/zinc/99/57/87/589995787.db2.gz GXBWWJFLVWSLHM-SECBINFHSA-N 1 3 239.388 1.173 20 0 BDADHO C1O[C@H]2[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000873217712 589998133 /nfs/dbraw/zinc/99/81/33/589998133.db2.gz QDLZMMFYZYBTFZ-GMDXDWKASA-N 1 3 236.359 1.142 20 0 BDADHO C1O[C@H]2[C@H]([NH2+][C@@H]3CCCNCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000873217712 589998135 /nfs/dbraw/zinc/99/81/35/589998135.db2.gz QDLZMMFYZYBTFZ-GMDXDWKASA-N 1 3 236.359 1.142 20 0 BDADHO C[C@]1(CN2CC[C@H]3CSC[C@@H]3C2)CC[NH2+]C1 ZINC000873221385 589999539 /nfs/dbraw/zinc/99/95/39/589999539.db2.gz IYWWMPYTJJHCRF-AVGNSLFASA-N 1 3 240.416 1.671 20 0 BDADHO C[C@]1(CN2CC[C@H]3CSC[C@H]3C2)CC[NH2+]C1 ZINC000873221387 590000147 /nfs/dbraw/zinc/00/01/47/590000147.db2.gz IYWWMPYTJJHCRF-XQQFMLRXSA-N 1 3 240.416 1.671 20 0 BDADHO C(C[C@@H]1CCOC1)[NH2+][C@]12CCC[C@@H]1NCC2 ZINC000873231049 590002762 /nfs/dbraw/zinc/00/27/62/590002762.db2.gz FQEALWBLVPQNCM-AGIUHOORSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000873234678 590004157 /nfs/dbraw/zinc/00/41/57/590004157.db2.gz FNERCZYRHPOVMO-GARJFASQSA-N 1 3 216.394 1.845 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234145 590004514 /nfs/dbraw/zinc/00/45/14/590004514.db2.gz CSVIIDYNGVWPON-JHJVBQTASA-N 1 3 239.407 1.304 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239617 590005432 /nfs/dbraw/zinc/00/54/32/590005432.db2.gz ZEQKNGMYUISLOH-FIQHERPVSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249281 590007630 /nfs/dbraw/zinc/00/76/30/590007630.db2.gz KDZFXTJOGXDJIV-CHWFTXMASA-N 1 3 220.320 1.216 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252926 590008890 /nfs/dbraw/zinc/00/88/90/590008890.db2.gz SNLLAPXVUIPTFQ-XCCSTKFXSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@@H]([NH2+]CCC[C@@H]1C=CCC1)C1CNC1 ZINC000873281156 590018440 /nfs/dbraw/zinc/01/84/40/590018440.db2.gz GFXWQJVSFNLQCU-VXGBXAGGSA-N 1 3 208.349 1.930 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282257 590019033 /nfs/dbraw/zinc/01/90/33/590019033.db2.gz GPRYQPFWHLBSIS-GRYCIOLGSA-N 1 3 240.347 1.047 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1Cc2ccccc2CN1 ZINC000873296933 590025232 /nfs/dbraw/zinc/02/52/32/590025232.db2.gz NWLWCBSKEFUXJV-RRFJBIMHSA-N 1 3 245.370 1.170 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138467 590291767 /nfs/dbraw/zinc/29/17/67/590291767.db2.gz JDLOEDORLDXMNZ-TVYUQYBPSA-N 1 3 247.342 1.438 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)[C@@H]1CCCCN1 ZINC000877446409 590329236 /nfs/dbraw/zinc/32/92/36/590329236.db2.gz YOTIQUROAQADLH-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO CC(C)C[NH+]1C[C@@H](CN(C)C)[C@H](CN(C)C)C1 ZINC000877669576 590389522 /nfs/dbraw/zinc/38/95/22/590389522.db2.gz PBBJFFQSGONRTB-ZIAGYGMSSA-N 1 3 241.423 1.314 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000879577550 590814858 /nfs/dbraw/zinc/81/48/58/590814858.db2.gz YANASPRHYZRBCW-MNOVXSKESA-N 1 3 200.301 1.372 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000879577550 590814860 /nfs/dbraw/zinc/81/48/60/590814860.db2.gz YANASPRHYZRBCW-MNOVXSKESA-N 1 3 200.301 1.372 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCCCF)CC[C@@H]21 ZINC000879580234 590819771 /nfs/dbraw/zinc/81/97/71/590819771.db2.gz FVIYITKTWRQQHU-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCCCF)CC[C@@H]21 ZINC000879580234 590819772 /nfs/dbraw/zinc/81/97/72/590819772.db2.gz FVIYITKTWRQQHU-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO CC[C@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473050 591053549 /nfs/dbraw/zinc/05/35/49/591053549.db2.gz NAABGLIJFKKJRF-LBPRGKRZSA-N 1 3 226.364 1.318 20 0 BDADHO C[C@H]1C[C@H](NC[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129611191 591340316 /nfs/dbraw/zinc/34/03/16/591340316.db2.gz MMILFXRAWYPNRF-CFVMTHIKSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@H]1C[C@H](NC[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129611191 591340319 /nfs/dbraw/zinc/34/03/19/591340319.db2.gz MMILFXRAWYPNRF-CFVMTHIKSA-N 1 3 248.370 1.792 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000883354093 591624839 /nfs/dbraw/zinc/62/48/39/591624839.db2.gz KOZOXNPXFWJGDI-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000883354093 591624840 /nfs/dbraw/zinc/62/48/40/591624840.db2.gz KOZOXNPXFWJGDI-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000883354093 591624842 /nfs/dbraw/zinc/62/48/42/591624842.db2.gz KOZOXNPXFWJGDI-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)C[C@@H](C(N)=O)N(C)CCCCCC[NH3+] ZINC000883462165 591673880 /nfs/dbraw/zinc/67/38/80/591673880.db2.gz LBRHFLDYMPTBJP-LBPRGKRZSA-N 1 3 243.395 1.337 20 0 BDADHO [NH3+]CCCN1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000883462358 591674022 /nfs/dbraw/zinc/67/40/22/591674022.db2.gz PFSGWDUKOIMASP-CQSZACIVSA-N 1 3 245.370 1.820 20 0 BDADHO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000884006870 591793961 /nfs/dbraw/zinc/79/39/61/591793961.db2.gz GRAJEKJVFVIOGN-LBPRGKRZSA-N 1 3 247.342 1.329 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)[C@@H](N)CC1CC1 ZINC000884013719 591798418 /nfs/dbraw/zinc/79/84/18/591798418.db2.gz QOEUBSHVTKTYOR-LBPRGKRZSA-N 1 3 247.342 1.472 20 0 BDADHO C[C@H]([NH3+])C1CCN(C/C=C\Cl)CC1 ZINC000215389312 591946213 /nfs/dbraw/zinc/94/62/13/591946213.db2.gz BLFRYMJAYWTYSO-ANTNXHBISA-N 1 3 202.729 1.798 20 0 BDADHO COc1ccccc1CC[NH2+]C1CCNCC1 ZINC000215950696 591998938 /nfs/dbraw/zinc/99/89/38/591998938.db2.gz AGYHDRAMTJDOCY-UHFFFAOYSA-N 1 3 234.343 1.579 20 0 BDADHO COc1ccccc1CCNC1CC[NH2+]CC1 ZINC000215950696 591998940 /nfs/dbraw/zinc/99/89/40/591998940.db2.gz AGYHDRAMTJDOCY-UHFFFAOYSA-N 1 3 234.343 1.579 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000886840171 592360525 /nfs/dbraw/zinc/36/05/25/592360525.db2.gz VGVNGOIMCROIQM-REWJHTLYSA-N 1 3 238.375 1.804 20 0 BDADHO CCN1CC[C@H](C[NH2+]C2CC(OC)C2)C1 ZINC000220843805 592365867 /nfs/dbraw/zinc/36/58/67/592365867.db2.gz ZHMMEGBTPGQYSB-VOMCLLRMSA-N 1 3 212.337 1.095 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859733 592371912 /nfs/dbraw/zinc/37/19/12/592371912.db2.gz CJCIDXVKGNOJKX-RDBSUJKOSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859733 592371917 /nfs/dbraw/zinc/37/19/17/592371917.db2.gz CJCIDXVKGNOJKX-RDBSUJKOSA-N 1 3 238.375 1.487 20 0 BDADHO CCOCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865319 592373179 /nfs/dbraw/zinc/37/31/79/592373179.db2.gz HHMLNJYWSIMMKS-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246531357 987887727 /nfs/dbraw/zinc/88/77/27/987887727.db2.gz PWMOYYZMTSBCRJ-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705272 634388866 /nfs/dbraw/zinc/38/88/66/634388866.db2.gz AYOMFNWNVGDVMH-LDMBFOFVSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705272 634388869 /nfs/dbraw/zinc/38/88/69/634388869.db2.gz AYOMFNWNVGDVMH-LDMBFOFVSA-N 1 3 222.332 1.166 20 0 BDADHO COc1ccc(C[NH2+]CC2(N)CC2)cc1OC ZINC000259084650 635242629 /nfs/dbraw/zinc/24/26/29/635242629.db2.gz NAVCJCJTOLGRNW-UHFFFAOYSA-N 1 3 236.315 1.285 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000925858765 635551602 /nfs/dbraw/zinc/55/16/02/635551602.db2.gz OVRMGWXOAQAVKH-SDDRHHMPSA-N 1 3 214.353 1.255 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CCC(C)=O)C1 ZINC000176283718 631670050 /nfs/dbraw/zinc/67/00/50/631670050.db2.gz KBZVXSFEOBLSFU-ZDUSSCGKSA-N 1 3 226.364 1.629 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CCC(C)=O)C1 ZINC000176283718 631670053 /nfs/dbraw/zinc/67/00/53/631670053.db2.gz KBZVXSFEOBLSFU-ZDUSSCGKSA-N 1 3 226.364 1.629 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CNC(C)(C)CSC ZINC000934667237 632014965 /nfs/dbraw/zinc/01/49/65/632014965.db2.gz AELDAHGRUNEPPN-JTQLQIEISA-N 1 3 234.409 1.030 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CNC(C)(C)CSC ZINC000934667237 632014972 /nfs/dbraw/zinc/01/49/72/632014972.db2.gz AELDAHGRUNEPPN-JTQLQIEISA-N 1 3 234.409 1.030 20 0 BDADHO CNC(=[NH2+])NC[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC000052020235 632042981 /nfs/dbraw/zinc/04/29/81/632042981.db2.gz SJKLXDKELHPPHL-ZYHUDNBSSA-N 1 3 226.368 1.241 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2CCCOC2)CC[C@H]1N ZINC000251523896 635704802 /nfs/dbraw/zinc/70/48/02/635704802.db2.gz ABSJXLIEXNCAMA-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCOC2)CC[C@H]1N ZINC000251523896 635704811 /nfs/dbraw/zinc/70/48/11/635704811.db2.gz ABSJXLIEXNCAMA-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@@H]1CCOC1 ZINC000253069683 632564483 /nfs/dbraw/zinc/56/44/83/632564483.db2.gz LVBNIXRGCOLEEF-WUHRBBMRSA-N 1 3 226.364 1.519 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccco1 ZINC000924557285 632838993 /nfs/dbraw/zinc/83/89/93/632838993.db2.gz ZHPOVPNYERPKQR-ONXXMXGDSA-N 1 3 234.343 1.752 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1ccco1 ZINC000924557285 632838995 /nfs/dbraw/zinc/83/89/95/632838995.db2.gz ZHPOVPNYERPKQR-ONXXMXGDSA-N 1 3 234.343 1.752 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1ccco1 ZINC000924557285 632839000 /nfs/dbraw/zinc/83/90/00/632839000.db2.gz ZHPOVPNYERPKQR-ONXXMXGDSA-N 1 3 234.343 1.752 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2CO)C[C@@H]1C ZINC000126507403 635845468 /nfs/dbraw/zinc/84/54/68/635845468.db2.gz YYAHTAHZYQMOEH-NSHDSACASA-N 1 3 235.331 1.104 20 0 BDADHO COC[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000053172161 633876553 /nfs/dbraw/zinc/87/65/53/633876553.db2.gz DNBYOIAVILFMKG-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000053172161 633876556 /nfs/dbraw/zinc/87/65/56/633876556.db2.gz DNBYOIAVILFMKG-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000053172161 633876561 /nfs/dbraw/zinc/87/65/61/633876561.db2.gz DNBYOIAVILFMKG-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982835 634025297 /nfs/dbraw/zinc/02/52/97/634025297.db2.gz ADCSSJBCUMGZCA-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616604 634162869 /nfs/dbraw/zinc/16/28/69/634162869.db2.gz SFNANMGOXGSCJA-RAIGVLPGSA-N 1 3 246.358 1.127 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCc3c[nH]nc3C2)C12CCC2 ZINC000925616604 634162873 /nfs/dbraw/zinc/16/28/73/634162873.db2.gz SFNANMGOXGSCJA-RAIGVLPGSA-N 1 3 246.358 1.127 20 0 BDADHO C[C@H]1OCC[C@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925676278 634263638 /nfs/dbraw/zinc/26/36/38/634263638.db2.gz ZMQBPGZKHSTARZ-DBIOUOCHSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925676278 634263643 /nfs/dbraw/zinc/26/36/43/634263643.db2.gz ZMQBPGZKHSTARZ-DBIOUOCHSA-N 1 3 210.321 1.023 20 0 BDADHO CN1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000123879174 634274322 /nfs/dbraw/zinc/27/43/22/634274322.db2.gz MONZWHAMAWAKRV-UHFFFAOYSA-N 1 3 245.370 1.080 20 0 BDADHO COCC[C@@H](C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925684392 634294666 /nfs/dbraw/zinc/29/46/66/634294666.db2.gz AMZSQCBFUDMJQY-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925686471 634299169 /nfs/dbraw/zinc/29/91/69/634299169.db2.gz UVYZJFLMLCSZRH-NDBYEHHHSA-N 1 3 238.375 1.804 20 0 BDADHO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925686468 634299297 /nfs/dbraw/zinc/29/92/97/634299297.db2.gz UVYZJFLMLCSZRH-FDYHWXHSSA-N 1 3 238.375 1.804 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000925856506 635547164 /nfs/dbraw/zinc/54/71/64/635547164.db2.gz JPUIMLILGKTPPC-HBNTYKKESA-N 1 3 200.326 1.007 20 0 BDADHO COC[C@H](C[NH2+][C@@H](C)C1CNC1)C(C)C ZINC000925874522 635594864 /nfs/dbraw/zinc/59/48/64/635594864.db2.gz SJFVOJUHIBLXLC-JQWIXIFHSA-N 1 3 214.353 1.103 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C(C)(C)CO ZINC000925217386 636398643 /nfs/dbraw/zinc/39/86/43/636398643.db2.gz OLEMOZLQIJLYFX-YNEHKIRRSA-N 1 3 242.407 1.856 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C(C)(C)CO ZINC000925217384 636398815 /nfs/dbraw/zinc/39/88/15/636398815.db2.gz OLEMOZLQIJLYFX-RWMBFGLXSA-N 1 3 242.407 1.856 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1cccnc1 ZINC000088169838 636897661 /nfs/dbraw/zinc/89/76/61/636897661.db2.gz YQIUCTPMCLRTPT-GMXVVIOVSA-N 1 3 219.332 1.860 20 0 BDADHO CCc1onc(C)c1CNC1CC(C[NH3+])C1 ZINC000904433332 637400830 /nfs/dbraw/zinc/40/08/30/637400830.db2.gz LQPPWQUDILULOO-UHFFFAOYSA-N 1 3 223.320 1.372 20 0 BDADHO [O-]c1cncc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000904434731 637402856 /nfs/dbraw/zinc/40/28/56/637402856.db2.gz YIWYYNSNPWBEKR-FRRDWIJNSA-N 1 3 247.342 1.265 20 0 BDADHO C[C@@H](C[NH2+][C@H]1C[C@H](N)C1)c1ccccc1 ZINC000906517005 638186870 /nfs/dbraw/zinc/18/68/70/638186870.db2.gz BZQALMTUINOYSR-DRZSPHRISA-N 1 3 204.317 1.869 20 0 BDADHO C[C@@H](CN[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000906517005 638186878 /nfs/dbraw/zinc/18/68/78/638186878.db2.gz BZQALMTUINOYSR-DRZSPHRISA-N 1 3 204.317 1.869 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649885 639706194 /nfs/dbraw/zinc/70/61/94/639706194.db2.gz WWIILZKQJXFZNR-MFKMUULPSA-N 1 3 249.358 1.847 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712742 639740394 /nfs/dbraw/zinc/74/03/94/639740394.db2.gz DCAWRLADWIGDDR-SRVKXCTJSA-N 1 3 241.379 1.008 20 0 BDADHO CCN1[C@H](C)CN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000930882740 639971049 /nfs/dbraw/zinc/97/10/49/639971049.db2.gz JZASGLBFYGWOJI-OKILXGFUSA-N 1 3 239.407 1.497 20 0 BDADHO C[NH+](C)[C@@H]1[C@H]2CN(CC[C@@H]3C[C@H]3C3CC3)C[C@H]21 ZINC000931278292 640128414 /nfs/dbraw/zinc/12/84/14/640128414.db2.gz VONHDMVIKHNDHF-SEBNEYGDSA-N 1 3 234.387 1.914 20 0 BDADHO CO[C@H](C)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931310810 640146208 /nfs/dbraw/zinc/14/62/08/640146208.db2.gz HZQMRELEFHCWEG-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO CO[C@H](C)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931310810 640146215 /nfs/dbraw/zinc/14/62/15/640146215.db2.gz HZQMRELEFHCWEG-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO C[NH+](C)C1(C)CCN(C[C@@H]2CCOC2)CC1 ZINC000931350067 640167501 /nfs/dbraw/zinc/16/75/01/640167501.db2.gz RKYAENKXNHWCMR-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)C1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000931350067 640167504 /nfs/dbraw/zinc/16/75/04/640167504.db2.gz RKYAENKXNHWCMR-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H](C1CC1)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931442178 640205706 /nfs/dbraw/zinc/20/57/06/640205706.db2.gz WXQMCOAFURFBBD-WCFLWFBJSA-N 1 3 208.349 1.668 20 0 BDADHO C[C@@H](C1CC1)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931442178 640205711 /nfs/dbraw/zinc/20/57/11/640205711.db2.gz WXQMCOAFURFBBD-WCFLWFBJSA-N 1 3 208.349 1.668 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(C[C@@H](O)c2ccccc2)C1 ZINC000224882339 640645624 /nfs/dbraw/zinc/64/56/24/640645624.db2.gz IAMRDIPSTPLJLD-VHDGCEQUSA-N 1 3 248.370 1.779 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000087646994 640955544 /nfs/dbraw/zinc/95/55/44/640955544.db2.gz AWCQCFXGSALNAL-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO CO[C@@H]1CC[C@H]1[N@H+](C)CC[C@H]1CCCN1C ZINC000934120074 641083843 /nfs/dbraw/zinc/08/38/43/641083843.db2.gz ZEHXLYGLRRCPLT-JHJVBQTASA-N 1 3 226.364 1.580 20 0 BDADHO CO[C@@H]1CC[C@H]1[N@@H+](C)CC[C@H]1CCCN1C ZINC000934120074 641083847 /nfs/dbraw/zinc/08/38/47/641083847.db2.gz ZEHXLYGLRRCPLT-JHJVBQTASA-N 1 3 226.364 1.580 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000934337513 641129696 /nfs/dbraw/zinc/12/96/96/641129696.db2.gz JLMVAPSKXCBWIW-MJBXVCDLSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H]2CCC[C@@H]21 ZINC000934337513 641129700 /nfs/dbraw/zinc/12/97/00/641129700.db2.gz JLMVAPSKXCBWIW-MJBXVCDLSA-N 1 3 240.391 1.562 20 0 BDADHO CN1CCC[C@@H](NC(=O)CCCCCC[NH3+])C1 ZINC000040673712 641534547 /nfs/dbraw/zinc/53/45/47/641534547.db2.gz QREDAZWDRUOILM-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO CC[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000044293940 641594579 /nfs/dbraw/zinc/59/45/79/641594579.db2.gz SBGYZXLEPITOBH-CYBMUJFWSA-N 1 3 249.358 1.015 20 0 BDADHO c1csc(CCN2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000031994612 641705519 /nfs/dbraw/zinc/70/55/19/641705519.db2.gz FBKGKNRSFXXFJM-ZDUSSCGKSA-N 1 3 236.384 1.976 20 0 BDADHO C[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925472159 642391092 /nfs/dbraw/zinc/39/10/92/642391092.db2.gz AWBHLRUIHTXBOU-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915237 642710977 /nfs/dbraw/zinc/71/09/77/642710977.db2.gz FUSYZYKRNSWOFM-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1cc(C[NH2+][C@](C)(CN)C(C)C)c(C)nn1 ZINC000306087228 643293033 /nfs/dbraw/zinc/29/30/33/643293033.db2.gz HFTJILGLAOCPCQ-CYBMUJFWSA-N 1 3 236.363 1.556 20 0 BDADHO CN1CCN(C[C@]2(C)CC[NH2+]C2)CC1(C)C ZINC000082485453 643322619 /nfs/dbraw/zinc/32/26/19/643322619.db2.gz HHWITQUOWGMGAY-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)N1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000042543891 643510835 /nfs/dbraw/zinc/51/08/35/643510835.db2.gz OXWLCVCIUZGFFF-ZDUSSCGKSA-N 1 3 225.380 1.153 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000230220129 643767098 /nfs/dbraw/zinc/76/70/98/643767098.db2.gz MKMJGPIGIBHCDQ-NEPJUHHUSA-N 1 3 228.380 1.502 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000230217313 643767367 /nfs/dbraw/zinc/76/73/67/643767367.db2.gz GVERPGNMPZRZDF-CHWSQXEVSA-N 1 3 242.407 1.892 20 0 BDADHO C[C@@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500944 644144227 /nfs/dbraw/zinc/14/42/27/644144227.db2.gz XOSLWBJEDOSSKX-IJLUTSLNSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000923291433 644318700 /nfs/dbraw/zinc/31/87/00/644318700.db2.gz SGYSPEZMXQWBAF-VHDGCEQUSA-N 1 3 248.370 1.259 20 0 BDADHO CCCCCC[C@@H](O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000923288751 644323618 /nfs/dbraw/zinc/32/36/18/644323618.db2.gz CEFJUKNVQGSCEX-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CC(C)CC[C@H](O)CN(C)CCC[NH3+] ZINC000923291804 644328870 /nfs/dbraw/zinc/32/88/70/644328870.db2.gz SDMIOBGRIOOFAH-NSHDSACASA-N 1 3 202.342 1.064 20 0 BDADHO CCCCOC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923296529 644335346 /nfs/dbraw/zinc/33/53/46/644335346.db2.gz UTQGKODEXWXLLO-CHWSQXEVSA-N 1 3 246.395 1.127 20 0 BDADHO CC[C@@H](NC(CN)C[NH3+])c1ccc(Cl)cc1 ZINC000923351338 644368348 /nfs/dbraw/zinc/36/83/48/644368348.db2.gz IWPKDJFOFJMYGQ-GFCCVEGCSA-N 1 3 241.766 1.667 20 0 BDADHO CC[C@@](C)(CC(=O)OC)NCCC[NH2+]C1CC1 ZINC000923377682 644391920 /nfs/dbraw/zinc/39/19/20/644391920.db2.gz WINWYTPBVMBNMN-ZDUSSCGKSA-N 1 3 242.363 1.450 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H](O)CC1CCCC1 ZINC000923380649 644394701 /nfs/dbraw/zinc/39/47/01/644394701.db2.gz APJHNWDQPSKKSM-BFHYXJOUSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923415891 644408942 /nfs/dbraw/zinc/40/89/42/644408942.db2.gz SDVPVGZCWWXWIN-PWSUYJOCSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923415891 644408944 /nfs/dbraw/zinc/40/89/44/644408944.db2.gz SDVPVGZCWWXWIN-PWSUYJOCSA-N 1 3 214.353 1.064 20 0 BDADHO Cc1nocc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923492928 644467817 /nfs/dbraw/zinc/46/78/17/644467817.db2.gz ZMMCLKNNUKLUJP-MWLCHTKSSA-N 1 3 223.320 1.400 20 0 BDADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000923499552 644473245 /nfs/dbraw/zinc/47/32/45/644473245.db2.gz SNCJDJOIQJKOHV-KOLCDFICSA-N 1 3 223.320 1.400 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000250507363 644762105 /nfs/dbraw/zinc/76/21/05/644762105.db2.gz NPFLSUMEJCTTDD-UONOGXRCSA-N 1 3 238.375 1.999 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000250507363 644762107 /nfs/dbraw/zinc/76/21/07/644762107.db2.gz NPFLSUMEJCTTDD-UONOGXRCSA-N 1 3 238.375 1.999 20 0 BDADHO CC[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251857330 644828086 /nfs/dbraw/zinc/82/80/86/644828086.db2.gz SKOPBCDZCMFLMP-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1C=CCC1 ZINC000926838922 645449366 /nfs/dbraw/zinc/44/93/66/645449366.db2.gz WNMSDXWAMZZEMY-HABKJSAYSA-N 1 3 220.360 1.882 20 0 BDADHO FC1(F)[C@@H]2C[C@@H](CN3C[C@@H]4C[NH2+]C[C@H]4C3)C[C@@H]21 ZINC000929312176 646073057 /nfs/dbraw/zinc/07/30/57/646073057.db2.gz IUMQGFIVRULTOC-UHFZAUJKSA-N 1 3 242.313 1.429 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)C(C)(C)CO ZINC000924618379 646078753 /nfs/dbraw/zinc/07/87/53/646078753.db2.gz ZAUFOGGWBJAGIW-GFCCVEGCSA-N 1 3 230.396 1.713 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000924959677 646144739 /nfs/dbraw/zinc/14/47/39/646144739.db2.gz LEFPRQIJNGFDGM-MCIONIFRSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@@H](CO)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689124 646247887 /nfs/dbraw/zinc/24/78/87/646247887.db2.gz BWJPJHIFSDRIBD-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN([C@H](CC)CO)C1 ZINC000929777107 646306775 /nfs/dbraw/zinc/30/67/75/646306775.db2.gz AIENVEDEIDPKKG-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN([C@H](CC)CO)C1 ZINC000929777107 646306781 /nfs/dbraw/zinc/30/67/81/646306781.db2.gz AIENVEDEIDPKKG-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925524176 646315810 /nfs/dbraw/zinc/31/58/10/646315810.db2.gz YDGPWSMVFZUXAK-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CCC(CC)CN[C@H]1C[NH2+]CCOC1 ZINC000925548385 646327257 /nfs/dbraw/zinc/32/72/57/646327257.db2.gz GNGLOTACVMUVHH-NSHDSACASA-N 1 3 200.326 1.001 20 0 BDADHO CCOCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925564077 646337885 /nfs/dbraw/zinc/33/78/85/646337885.db2.gz XJMODRGMZZQBLK-UONOGXRCSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCn2ccnc21 ZINC000925607388 646357660 /nfs/dbraw/zinc/35/76/60/646357660.db2.gz PBTHJPGBRSWPHI-RWMBFGLXSA-N 1 3 248.374 1.491 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000925607388 646357664 /nfs/dbraw/zinc/35/76/64/646357664.db2.gz PBTHJPGBRSWPHI-RWMBFGLXSA-N 1 3 248.374 1.491 20 0 BDADHO C[C@@H](O)CCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925657846 646391733 /nfs/dbraw/zinc/39/17/33/646391733.db2.gz QAVDYTYXKFYPFR-XQHKEYJVSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925670545 646400624 /nfs/dbraw/zinc/40/06/24/646400624.db2.gz LXNGXPSMGPSITR-FRRDWIJNSA-N 1 3 238.375 1.533 20 0 BDADHO OC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000925688798 646414299 /nfs/dbraw/zinc/41/42/99/646414299.db2.gz FTEVQHAOZOWVQU-UPJWGTAASA-N 1 3 238.375 1.412 20 0 BDADHO OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925688796 646414582 /nfs/dbraw/zinc/41/45/82/646414582.db2.gz FTEVQHAOZOWVQU-FRRDWIJNSA-N 1 3 238.375 1.412 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)[C@H](O)C(C)C ZINC000925691531 646416212 /nfs/dbraw/zinc/41/62/12/646416212.db2.gz OGTKCHRUSRYMLS-UMSGYPCISA-N 1 3 240.391 1.641 20 0 BDADHO CNC(=O)C[C@H](C)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690408 646416841 /nfs/dbraw/zinc/41/68/41/646416841.db2.gz VEQIMPZIWSHKGB-AXFHLTTASA-N 1 3 241.379 1.007 20 0 BDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1ncccn1 ZINC000925704852 646429276 /nfs/dbraw/zinc/42/92/76/646429276.db2.gz GJIPKYFPTKADKC-UYVFGJEYSA-N 1 3 232.331 1.082 20 0 BDADHO CC1(C)[C@@H](N[C@@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709259 646433938 /nfs/dbraw/zinc/43/39/38/646433938.db2.gz UNYNSTODLWUMHH-WYUUTHIRSA-N 1 3 220.360 1.905 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000925709259 646433941 /nfs/dbraw/zinc/43/39/41/646433941.db2.gz UNYNSTODLWUMHH-WYUUTHIRSA-N 1 3 220.360 1.905 20 0 BDADHO Nc1ccnc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000925767411 646468094 /nfs/dbraw/zinc/46/80/94/646468094.db2.gz OLROJDOBNHVUOA-GXFFZTMASA-N 1 3 234.347 1.271 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)O1 ZINC000925775245 646475932 /nfs/dbraw/zinc/47/59/32/646475932.db2.gz DVOARNWFXYSUAQ-DBIOUOCHSA-N 1 3 248.317 1.387 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1CN ZINC000925824476 646497232 /nfs/dbraw/zinc/49/72/32/646497232.db2.gz UDSVGOCJUPCZEO-JOLBHGKHSA-N 1 3 208.349 1.748 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832426 646501605 /nfs/dbraw/zinc/50/16/05/646501605.db2.gz PPPYDECMORAQQY-RGOKHQFPSA-N 1 3 236.281 1.902 20 0 BDADHO C1=C[C@@H](C[NH2+][C@@H]2CCNC23CCC3)[C@H]2CO[C@@H]1C2 ZINC000925833705 646502349 /nfs/dbraw/zinc/50/23/49/646502349.db2.gz XECGSJJIWVDNLX-RFQIPJPRSA-N 1 3 248.370 1.452 20 0 BDADHO Cc1cc([C@H](C)NC[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000925879342 646528920 /nfs/dbraw/zinc/52/89/20/646528920.db2.gz BQZDEXKJLMITSE-AXFHLTTASA-N 1 3 223.320 1.761 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1ccns1 ZINC000926255532 646605556 /nfs/dbraw/zinc/60/55/56/646605556.db2.gz RRBOHSSCVKATTM-SNVBAGLBSA-N 1 3 243.376 1.372 20 0 BDADHO C[C@H]1COC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276403 646609742 /nfs/dbraw/zinc/60/97/42/646609742.db2.gz XANNVZFXIAKNSW-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H]1COC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000926276403 646609744 /nfs/dbraw/zinc/60/97/44/646609744.db2.gz XANNVZFXIAKNSW-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](C[NH2+]C1CC2(C1)CO[C@@H](C)C2)CN(C)C ZINC000926468234 646652645 /nfs/dbraw/zinc/65/26/45/646652645.db2.gz ASMABZFKGWFJJQ-FEPKRQSRSA-N 1 3 240.391 1.731 20 0 BDADHO Cc1cn(C)nc1CN1CCC[C@H](CC[NH3+])C1 ZINC000723962527 711548073 /nfs/dbraw/zinc/54/80/73/711548073.db2.gz FNDCHNOBXUNWEQ-GFCCVEGCSA-N 1 3 236.363 1.289 20 0 BDADHO CC(C)CCN1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000926734490 711673350 /nfs/dbraw/zinc/67/33/50/711673350.db2.gz YAQOAHYLJPVADF-HDJSIYSDSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)CC[NH+]1CCC(N[C@H]2C[C@H](O)C2)CC1 ZINC000926734490 711673352 /nfs/dbraw/zinc/67/33/52/711673352.db2.gz YAQOAHYLJPVADF-HDJSIYSDSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NC[C@]12C[C@H]1CCC2 ZINC000925879802 711762063 /nfs/dbraw/zinc/76/20/63/711762063.db2.gz CKWCUEQGZDHIJC-NDBYEHHHSA-N 1 3 208.349 1.907 20 0 BDADHO COC1(OC)CC[C@H]1[NH2+][C@H](C)CCN(C)C ZINC000710962435 712269180 /nfs/dbraw/zinc/26/91/80/712269180.db2.gz SRBNHCCZKLCQHK-GHMZBOCLSA-N 1 3 230.352 1.068 20 0 BDADHO COC1(OC)CC[C@H]1[NH2+][C@@H](C)CCN(C)C ZINC000710962954 712269201 /nfs/dbraw/zinc/26/92/01/712269201.db2.gz SRBNHCCZKLCQHK-WDEREUQCSA-N 1 3 230.352 1.068 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711251117 712290737 /nfs/dbraw/zinc/29/07/37/712290737.db2.gz PRMLBXQXDRAWIM-WOPDTQHZSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H]1CC[C@H](C[N@@H+]2CCCC[C@H]2CN)O1 ZINC000711310328 712293514 /nfs/dbraw/zinc/29/35/14/712293514.db2.gz JUBNNJOMWWZCGI-SDDRHHMPSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1CC[C@H](C[N@H+]2CCCC[C@H]2CN)O1 ZINC000711310328 712293516 /nfs/dbraw/zinc/29/35/16/712293516.db2.gz JUBNNJOMWWZCGI-SDDRHHMPSA-N 1 3 212.337 1.367 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711450113 712301615 /nfs/dbraw/zinc/30/16/15/712301615.db2.gz JHDJBKCOICVKPZ-STQMWFEESA-N 1 3 246.370 1.369 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711450113 712301616 /nfs/dbraw/zinc/30/16/16/712301616.db2.gz JHDJBKCOICVKPZ-STQMWFEESA-N 1 3 246.370 1.369 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCC2(CO)CCC2)C12CCC2 ZINC000717639681 712666065 /nfs/dbraw/zinc/66/60/65/712666065.db2.gz FECMZVATDVHOBX-WDEREUQCSA-N 1 3 224.348 1.009 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOC1CC1 ZINC000717731050 712668170 /nfs/dbraw/zinc/66/81/70/712668170.db2.gz YJBGIECAWTYPCN-NSHDSACASA-N 1 3 200.326 1.128 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H](N)C[C@@H]1C)C(C)C ZINC000721915837 710689904 /nfs/dbraw/zinc/68/99/04/710689904.db2.gz VUGPUCOZTGRKBL-RWMBFGLXSA-N 1 3 228.380 1.717 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H](N)C[C@@H]1C)C(C)C ZINC000721915837 710689909 /nfs/dbraw/zinc/68/99/09/710689909.db2.gz VUGPUCOZTGRKBL-RWMBFGLXSA-N 1 3 228.380 1.717 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](N)C(C)(C)C2)O1 ZINC000387948583 711049742 /nfs/dbraw/zinc/04/97/42/711049742.db2.gz AKLCZQMRTDUAMI-MXWKQRLJSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](N)C(C)(C)C2)O1 ZINC000387948583 711049744 /nfs/dbraw/zinc/04/97/44/711049744.db2.gz AKLCZQMRTDUAMI-MXWKQRLJSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H](N)C(C)(C)C2)O1 ZINC000387948586 711050451 /nfs/dbraw/zinc/05/04/51/711050451.db2.gz AKLCZQMRTDUAMI-VWYCJHECSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2C[C@H](N)C(C)(C)C2)O1 ZINC000387948586 711050455 /nfs/dbraw/zinc/05/04/55/711050455.db2.gz AKLCZQMRTDUAMI-VWYCJHECSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCOC(F)F ZINC000398273101 711406761 /nfs/dbraw/zinc/40/67/61/711406761.db2.gz HGIUBMYAMNTTSX-BDAKNGLRSA-N 1 3 222.279 1.346 20 0 BDADHO C[C@H](CCCCO)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000398652212 711413709 /nfs/dbraw/zinc/41/37/09/711413709.db2.gz CABADKIQGGJEDH-QQOHENMQSA-N 1 3 238.375 1.124 20 0 BDADHO CN(CCC[NH2+]C1CC1)C[C@H]1CCOC1 ZINC000399572310 711431864 /nfs/dbraw/zinc/43/18/64/711431864.db2.gz JECIQBNLOIVTEJ-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@H+](CCCNC1CC1)C[C@H]1CCOC1 ZINC000399572310 711431865 /nfs/dbraw/zinc/43/18/65/711431865.db2.gz JECIQBNLOIVTEJ-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](CCCNC1CC1)C[C@H]1CCOC1 ZINC000399572310 711431868 /nfs/dbraw/zinc/43/18/68/711431868.db2.gz JECIQBNLOIVTEJ-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]CC1CCN(Cc2oc(C)nc2C)CC1 ZINC000723623098 711526633 /nfs/dbraw/zinc/52/66/33/711526633.db2.gz HHGXDLKAILBIKH-UHFFFAOYSA-N 1 3 237.347 1.723 20 0 BDADHO C1CC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CCN1 ZINC000723648565 711530253 /nfs/dbraw/zinc/53/02/53/711530253.db2.gz VROGWZWZKJEUOG-SGMGOOAPSA-N 1 3 238.375 1.533 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925712098 711711745 /nfs/dbraw/zinc/71/17/45/711711745.db2.gz OSFXFJSYYKNPEP-YUTCNCBUSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](C)C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925712098 711711747 /nfs/dbraw/zinc/71/17/47/711711747.db2.gz OSFXFJSYYKNPEP-YUTCNCBUSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000722324421 711737684 /nfs/dbraw/zinc/73/76/84/711737684.db2.gz KNQRNLYVYMCPAS-LOWDOPEQSA-N 1 3 238.375 1.659 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722324421 711737686 /nfs/dbraw/zinc/73/76/86/711737686.db2.gz KNQRNLYVYMCPAS-LOWDOPEQSA-N 1 3 238.375 1.659 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622188 711771071 /nfs/dbraw/zinc/77/10/71/711771071.db2.gz IVJRZULEFHURKF-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622188 711771072 /nfs/dbraw/zinc/77/10/72/711771072.db2.gz IVJRZULEFHURKF-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO Cc1ncoc1CNCCCC[NH+](C)C ZINC000390409284 711771352 /nfs/dbraw/zinc/77/13/52/711771352.db2.gz WBDRLVMSWAEVIG-UHFFFAOYSA-N 1 3 211.309 1.414 20 0 BDADHO CC[N@@H+]1CCC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921622772 711921531 /nfs/dbraw/zinc/92/15/31/711921531.db2.gz BIJSWDYFUFPPNO-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CC[N@H+]1CCC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921622772 711921532 /nfs/dbraw/zinc/92/15/32/711921532.db2.gz BIJSWDYFUFPPNO-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CCN1CCC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921622772 711921533 /nfs/dbraw/zinc/92/15/33/711921533.db2.gz BIJSWDYFUFPPNO-CYBMUJFWSA-N 1 3 249.358 1.609 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)C1 ZINC000721959058 711948111 /nfs/dbraw/zinc/94/81/11/711948111.db2.gz DVWSGUXTMKOSGO-HTVCTNPSSA-N 1 3 240.391 1.717 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2C[C@H](CN)[C@@H](C)C[C@@H]2C)C1 ZINC000721959058 711948113 /nfs/dbraw/zinc/94/81/13/711948113.db2.gz DVWSGUXTMKOSGO-HTVCTNPSSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CCCSC1)N(C)C ZINC000700490163 711994818 /nfs/dbraw/zinc/99/48/18/711994818.db2.gz YHTSFEPBMUQARA-MNOVXSKESA-N 1 3 216.394 1.812 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccnc(CO)c1 ZINC000705127418 712122644 /nfs/dbraw/zinc/12/26/44/712122644.db2.gz AOGMGVGHVRWISM-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccnc(CO)c1 ZINC000705127418 712122645 /nfs/dbraw/zinc/12/26/45/712122645.db2.gz AOGMGVGHVRWISM-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO CCC[C@@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705657718 712135295 /nfs/dbraw/zinc/13/52/95/712135295.db2.gz FWHBEPLSUUHNHO-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[C@@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705657718 712135296 /nfs/dbraw/zinc/13/52/96/712135296.db2.gz FWHBEPLSUUHNHO-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO CC1(C)CO[C@@H](CN2CC[C@](C)(C[NH3+])C2)C1 ZINC000708323449 712187482 /nfs/dbraw/zinc/18/74/82/712187482.db2.gz NBRMOURLRDHOKP-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1ccns1 ZINC000709824822 712228917 /nfs/dbraw/zinc/22/89/17/712228917.db2.gz JBPGDLPIQFNBCI-ZYHUDNBSSA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000709824822 712228919 /nfs/dbraw/zinc/22/89/19/712228919.db2.gz JBPGDLPIQFNBCI-ZYHUDNBSSA-N 1 3 239.388 1.793 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccns1 ZINC000710026105 712242103 /nfs/dbraw/zinc/24/21/03/712242103.db2.gz JEXFXYVRERKHCZ-ONGXEEELSA-N 1 3 225.361 1.403 20 0 BDADHO CNCCC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710508863 712253746 /nfs/dbraw/zinc/25/37/46/712253746.db2.gz OZWNRHAWFGUFCO-JGPRNRPPSA-N 1 3 232.318 1.819 20 0 BDADHO CNCCC[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000710508863 712253747 /nfs/dbraw/zinc/25/37/47/712253747.db2.gz OZWNRHAWFGUFCO-JGPRNRPPSA-N 1 3 232.318 1.819 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1COC[C@H]1C ZINC000710852596 712259713 /nfs/dbraw/zinc/25/97/13/712259713.db2.gz MCSOUBSSCNXZGD-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCC(C)(C)CO1 ZINC000711251116 712290498 /nfs/dbraw/zinc/29/04/98/712290498.db2.gz PRMLBXQXDRAWIM-UTUOFQBUSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711251116 712290502 /nfs/dbraw/zinc/29/05/02/712290502.db2.gz PRMLBXQXDRAWIM-UTUOFQBUSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC[C@H]1CCC(C)(C)CO1 ZINC000711251117 712290735 /nfs/dbraw/zinc/29/07/35/712290735.db2.gz PRMLBXQXDRAWIM-WOPDTQHZSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@]1(CN2CC[C@H](CF)C2)CC[NH2+]C1 ZINC000711519705 712308660 /nfs/dbraw/zinc/30/86/60/712308660.db2.gz NAEZQEBNVKTJPY-GHMZBOCLSA-N 1 3 200.301 1.277 20 0 BDADHO C[C@@]1(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CCCNC1 ZINC000711589761 712310985 /nfs/dbraw/zinc/31/09/85/712310985.db2.gz IBCPTIINDFWTMK-FRRDWIJNSA-N 1 3 240.416 1.671 20 0 BDADHO C[C@@]1(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CCCNC1 ZINC000711589761 712310987 /nfs/dbraw/zinc/31/09/87/712310987.db2.gz IBCPTIINDFWTMK-FRRDWIJNSA-N 1 3 240.416 1.671 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000714622845 712488655 /nfs/dbraw/zinc/48/86/55/712488655.db2.gz BULVSWBRPDLIMS-FIQHERPVSA-N 1 3 212.337 1.128 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715236462 712514061 /nfs/dbraw/zinc/51/40/61/712514061.db2.gz RJXSXJAOSDFAJC-MCIONIFRSA-N 1 3 242.407 2.000 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CC13CC3)[NH2+]2 ZINC000715261512 712514730 /nfs/dbraw/zinc/51/47/30/712514730.db2.gz NSZOAQMJSOMFEC-CSYMLDBXSA-N 1 3 206.333 1.658 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715562828 712528948 /nfs/dbraw/zinc/52/89/48/712528948.db2.gz RKBPVHXUYSWXLK-LPWJVIDDSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715562828 712528949 /nfs/dbraw/zinc/52/89/49/712528949.db2.gz RKBPVHXUYSWXLK-LPWJVIDDSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]([NH2+]CCN)c1ccc2c(c1)OCCO2 ZINC000037712436 712744659 /nfs/dbraw/zinc/74/46/59/712744659.db2.gz XWPIJQVATBVVNJ-SECBINFHSA-N 1 3 222.288 1.067 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CCN(C)[C@H]2C)CC1 ZINC000719649012 712820510 /nfs/dbraw/zinc/82/05/10/712820510.db2.gz SDOPBEGBXYCUBE-GXTWGEPZSA-N 1 3 239.407 1.543 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(CCCCOC)C[C@H]2C1 ZINC001209219035 957365535 /nfs/dbraw/zinc/36/55/35/957365535.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(CCCCOC)C[C@H]2C1 ZINC001209219035 957365546 /nfs/dbraw/zinc/36/55/46/957365546.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2C1 ZINC001209219035 957365553 /nfs/dbraw/zinc/36/55/53/957365553.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](CCCCOC)C[C@@H]2C1 ZINC001209219035 957365561 /nfs/dbraw/zinc/36/55/61/957365561.db2.gz AFFIGWISBVJZST-OKILXGFUSA-N 1 3 240.391 1.687 20 0 BDADHO CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001271093468 963356034 /nfs/dbraw/zinc/35/60/34/963356034.db2.gz OOIQUAFLODYPPT-VXGBXAGGSA-N 1 3 243.395 1.029 20 0 BDADHO CC[C@H]1COC[C@H]1NCCC[NH+]1CCCCC1 ZINC000699538889 965956680 /nfs/dbraw/zinc/95/66/80/965956680.db2.gz DLMLZICSDNKKMO-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1ncc(CN2CCC[C@](F)(C[NH3+])CC2)o1 ZINC001205582101 967707428 /nfs/dbraw/zinc/70/74/28/967707428.db2.gz WSWHVFJCGNXEDO-GFCCVEGCSA-N 1 3 241.310 1.636 20 0 BDADHO C[C@H]1CCN(Cc2cnsc2)CC[C@@H]1C[NH3+] ZINC001205638412 967738419 /nfs/dbraw/zinc/73/84/19/967738419.db2.gz NTLDISVTCZPNNA-CMPLNLGQSA-N 1 3 239.388 1.950 20 0 BDADHO C[NH+]1CCC(C)(CN2C[C@H](F)C[C@H]2CO)CC1 ZINC001208108332 969003541 /nfs/dbraw/zinc/00/35/41/969003541.db2.gz SQWJRECOFDKQHP-NEPJUHHUSA-N 1 3 244.354 1.123 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1 ZINC001253405498 969160016 /nfs/dbraw/zinc/16/00/16/969160016.db2.gz DRZMDJDQNZXWKW-AGIUHOORSA-N 1 3 242.407 1.904 20 0 BDADHO CC/C=C\CC[NH+]1CC(N2CCN(C)CC2)C1 ZINC001208734707 969220829 /nfs/dbraw/zinc/22/08/29/969220829.db2.gz RZROJUDMLKNWJK-PLNGDYQASA-N 1 3 237.391 1.274 20 0 BDADHO CC[N@H+](CCN(C)C)[C@@H]1CCCN(C)CC1 ZINC001254515944 969686355 /nfs/dbraw/zinc/68/63/55/969686355.db2.gz HBLXKQIZKJNZMS-CYBMUJFWSA-N 1 3 227.396 1.354 20 0 BDADHO CC[N@@H+](CCN(C)C)[C@@H]1CCCN(C)CC1 ZINC001254515944 969686366 /nfs/dbraw/zinc/68/63/66/969686366.db2.gz HBLXKQIZKJNZMS-CYBMUJFWSA-N 1 3 227.396 1.354 20 0 BDADHO COC(C[N@H+](C)[C@@H]1CCCN(C)CC1)OC ZINC001254525157 969710464 /nfs/dbraw/zinc/71/04/64/969710464.db2.gz GUYXBNVFVMLHBH-LLVKDONJSA-N 1 3 230.352 1.021 20 0 BDADHO COC(C[N@@H+](C)[C@@H]1CCCN(C)CC1)OC ZINC001254525157 969710469 /nfs/dbraw/zinc/71/04/69/969710469.db2.gz GUYXBNVFVMLHBH-LLVKDONJSA-N 1 3 230.352 1.021 20 0 BDADHO CN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C)CC2)C1 ZINC001254522584 969713647 /nfs/dbraw/zinc/71/36/47/969713647.db2.gz HLAMNBCSPUGKEG-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C)CC2)C1 ZINC001254522584 969713658 /nfs/dbraw/zinc/71/36/58/969713658.db2.gz HLAMNBCSPUGKEG-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC001255955556 970590342 /nfs/dbraw/zinc/59/03/42/970590342.db2.gz BSBVIUAGJMYAGG-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC001255955556 970590348 /nfs/dbraw/zinc/59/03/48/970590348.db2.gz BSBVIUAGJMYAGG-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC001255956008 970596594 /nfs/dbraw/zinc/59/65/94/970596594.db2.gz FOZBWKRBFPCVJB-MGPQQGTHSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H](O)CC[C@H]1C ZINC001255956008 970596602 /nfs/dbraw/zinc/59/66/02/970596602.db2.gz FOZBWKRBFPCVJB-MGPQQGTHSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC001255962902 970602797 /nfs/dbraw/zinc/60/27/97/970602797.db2.gz BWAYYGFXNKKVIK-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC001255962902 970602801 /nfs/dbraw/zinc/60/28/01/970602801.db2.gz BWAYYGFXNKKVIK-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[N@H+](CCCN(C)C)C1CCN(C)CC1 ZINC001256209215 970712968 /nfs/dbraw/zinc/71/29/68/970712968.db2.gz PFSMNALCQQWENH-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CCC[N@@H+](CCCN(C)C)C1CCN(C)CC1 ZINC001256209215 970712977 /nfs/dbraw/zinc/71/29/77/970712977.db2.gz PFSMNALCQQWENH-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001246550498 972709875 /nfs/dbraw/zinc/70/98/75/972709875.db2.gz PRKNNNJVVRPHBB-RMPHRYRLSA-N 1 3 208.349 1.843 20 0 BDADHO C[C@H](Cc1ccccn1)[N@H+](C)CCCN(C)C ZINC001256408837 970816265 /nfs/dbraw/zinc/81/62/65/970816265.db2.gz FHXCIMLLBYZMCM-CYBMUJFWSA-N 1 3 235.375 1.896 20 0 BDADHO C[C@H](Cc1ccccn1)[N@@H+](C)CCCN(C)C ZINC001256408837 970816270 /nfs/dbraw/zinc/81/62/70/970816270.db2.gz FHXCIMLLBYZMCM-CYBMUJFWSA-N 1 3 235.375 1.896 20 0 BDADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001256622340 970886327 /nfs/dbraw/zinc/88/63/27/970886327.db2.gz HMHNDUAAMNJCKF-HABKJSAYSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001256622340 970886332 /nfs/dbraw/zinc/88/63/32/970886332.db2.gz HMHNDUAAMNJCKF-HABKJSAYSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccncc1 ZINC001256730926 970950676 /nfs/dbraw/zinc/95/06/76/970950676.db2.gz YPOVQHZYZVYUQV-GHMZBOCLSA-N 1 3 207.321 1.197 20 0 BDADHO COC(=O)CC1CCC([NH2+]C[C@H](C)CN)CC1 ZINC001256976939 971056553 /nfs/dbraw/zinc/05/65/53/971056553.db2.gz NLSXTLHJQGYCEG-VOMCLLRMSA-N 1 3 242.363 1.293 20 0 BDADHO CC(C)[NH+]1CCC(n2ccnc2[C@@H](C)N)CC1 ZINC001257202049 971122621 /nfs/dbraw/zinc/12/26/21/971122621.db2.gz POBQIQNWXNOTSN-LLVKDONJSA-N 1 3 236.363 1.948 20 0 BDADHO CC(C)[NH+]1CCC(N2CCN3CC[C@H]3C2)CC1 ZINC001257223613 971134805 /nfs/dbraw/zinc/13/48/05/971134805.db2.gz SOHQTPFRGXZTIW-AWEZNQCLSA-N 1 3 237.391 1.249 20 0 BDADHO CC(C)[NH+]1CCC(N2CCC(CO)CC2)CC1 ZINC001257215390 971135995 /nfs/dbraw/zinc/13/59/95/971135995.db2.gz VGQLVLVVLUSXIJ-UHFFFAOYSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCC[N@H+](CCCCCCO)[C@@H]1CCN ZINC000404401994 971158207 /nfs/dbraw/zinc/15/82/07/971158207.db2.gz RUSFISKNBYWYQF-ZIAGYGMSSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCCCCCO)[C@@H]1CCN ZINC000404401994 971158218 /nfs/dbraw/zinc/15/82/18/971158218.db2.gz RUSFISKNBYWYQF-ZIAGYGMSSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@H]1CCC[N@H+](CCCCCCO)[C@@H]1CCN ZINC000404401993 971158969 /nfs/dbraw/zinc/15/89/69/971158969.db2.gz RUSFISKNBYWYQF-UONOGXRCSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@H]1CCC[N@@H+](CCCCCCO)[C@@H]1CCN ZINC000404401993 971158974 /nfs/dbraw/zinc/15/89/74/971158974.db2.gz RUSFISKNBYWYQF-UONOGXRCSA-N 1 3 242.407 1.988 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCc2nccs2)C12CCC2 ZINC000405228036 971216002 /nfs/dbraw/zinc/21/60/02/971216002.db2.gz FAJDQTMVFFUPGS-UWVGGRQHSA-N 1 3 237.372 1.545 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405241212 971221369 /nfs/dbraw/zinc/22/13/69/971221369.db2.gz BDOKMRMSCOUXNY-IJLUTSLNSA-N 1 3 234.347 1.131 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405241212 971221375 /nfs/dbraw/zinc/22/13/75/971221375.db2.gz BDOKMRMSCOUXNY-IJLUTSLNSA-N 1 3 234.347 1.131 20 0 BDADHO Cn1ccc2c1cc[nH+]c2N1CCN2CC[C@@H]2C1 ZINC001158424959 971232050 /nfs/dbraw/zinc/23/20/50/971232050.db2.gz ZSUKACKWISBOMD-LLVKDONJSA-N 1 3 242.326 1.468 20 0 BDADHO CC(C)SCC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405313022 971233603 /nfs/dbraw/zinc/23/36/03/971233603.db2.gz PULOIZGVCFUOBG-WDEREUQCSA-N 1 3 228.405 1.988 20 0 BDADHO CC(C)SCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405313022 971233610 /nfs/dbraw/zinc/23/36/10/971233610.db2.gz PULOIZGVCFUOBG-WDEREUQCSA-N 1 3 228.405 1.988 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)CO1 ZINC000405322734 971235908 /nfs/dbraw/zinc/23/59/08/971235908.db2.gz VOWBEIGAYYOULV-VPOLOUISSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)CO1 ZINC000405322731 971237214 /nfs/dbraw/zinc/23/72/14/971237214.db2.gz VOWBEIGAYYOULV-LMLFDSFASA-N 1 3 210.321 1.023 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000405352360 971240765 /nfs/dbraw/zinc/24/07/65/971240765.db2.gz OYFNWXMBSCAGOF-YFKTTZPYSA-N 1 3 224.348 1.149 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405368361 971243201 /nfs/dbraw/zinc/24/32/01/971243201.db2.gz XQZRBCIQSDMAEM-FRRDWIJNSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405348637 971244191 /nfs/dbraw/zinc/24/41/91/971244191.db2.gz MNIQCELYOZZYKI-QJPTWQEYSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405348637 971244200 /nfs/dbraw/zinc/24/42/00/971244200.db2.gz MNIQCELYOZZYKI-QJPTWQEYSA-N 1 3 240.391 1.643 20 0 BDADHO CSCC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405395429 971248820 /nfs/dbraw/zinc/24/88/20/971248820.db2.gz IFUGMXRZGVKPSN-BDAKNGLRSA-N 1 3 200.351 1.209 20 0 BDADHO CSCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405395429 971248826 /nfs/dbraw/zinc/24/88/26/971248826.db2.gz IFUGMXRZGVKPSN-BDAKNGLRSA-N 1 3 200.351 1.209 20 0 BDADHO CC(F)(F)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405414237 971252010 /nfs/dbraw/zinc/25/20/10/971252010.db2.gz NXVXOWRJBYNKOP-RKDXNWHRSA-N 1 3 218.291 1.891 20 0 BDADHO CC(F)(F)CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405414237 971252023 /nfs/dbraw/zinc/25/20/23/971252023.db2.gz NXVXOWRJBYNKOP-RKDXNWHRSA-N 1 3 218.291 1.891 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000405494816 971263295 /nfs/dbraw/zinc/26/32/95/971263295.db2.gz PVKJVACNYLWEFK-NDBYEHHHSA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCO[C@H]2C2CC2)C12CCC2 ZINC000405494816 971263309 /nfs/dbraw/zinc/26/33/09/971263309.db2.gz PVKJVACNYLWEFK-NDBYEHHHSA-N 1 3 236.359 1.413 20 0 BDADHO CC(C)C[NH+]1CCC(N2C[C@@H](O)C[C@H]2C)CC1 ZINC001258011015 971551205 /nfs/dbraw/zinc/55/12/05/971551205.db2.gz GUCCHKUUESTQDV-OCCSQVGLSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)CN1CCC([NH2+]C[C@@H](O)CF)CC1 ZINC001258009309 971551814 /nfs/dbraw/zinc/55/18/14/971551814.db2.gz UMERRFUMKUDBFI-LBPRGKRZSA-N 1 3 232.343 1.027 20 0 BDADHO [NH3+]Cc1cccc(O[C@@H]2CCNC[C@H]2F)c1 ZINC001218073684 971597353 /nfs/dbraw/zinc/59/73/53/971597353.db2.gz VQFSXQWQRGTADM-VXGBXAGGSA-N 1 3 224.279 1.224 20 0 BDADHO c1cc2c(c(O[C@H]3CC[C@]34CC[NH2+]C4)c1)CNC2 ZINC001218119665 971601286 /nfs/dbraw/zinc/60/12/86/971601286.db2.gz RJBDTFAIJDJTCT-LSDHHAIUSA-N 1 3 244.338 1.811 20 0 BDADHO c1cc2c(c(O[C@@H]3C[C@@H]4CC[NH2+][C@H]4C3)c1)CNC2 ZINC001218251114 971650209 /nfs/dbraw/zinc/65/02/09/971650209.db2.gz QOCNBWHRPUQESV-SUHUHFCYSA-N 1 3 244.338 1.809 20 0 BDADHO Cn1cccc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156900 974328126 /nfs/dbraw/zinc/32/81/26/974328126.db2.gz UBCRXLLWBYSJSK-VXGBXAGGSA-N 1 3 225.311 1.286 20 0 BDADHO Cn1cccc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156900 974328130 /nfs/dbraw/zinc/32/81/30/974328130.db2.gz UBCRXLLWBYSJSK-VXGBXAGGSA-N 1 3 225.311 1.286 20 0 BDADHO COCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172099094 974337154 /nfs/dbraw/zinc/33/71/54/974337154.db2.gz FFXMQZAUIAIFLW-ZSBIGDGJSA-N 1 3 212.337 1.238 20 0 BDADHO COCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099094 974337160 /nfs/dbraw/zinc/33/71/60/974337160.db2.gz FFXMQZAUIAIFLW-ZSBIGDGJSA-N 1 3 212.337 1.238 20 0 BDADHO C(C1CC1)[NH+]1CCC(N[C@H]2CCOC2)CC1 ZINC000309562463 971668136 /nfs/dbraw/zinc/66/81/36/971668136.db2.gz PGULXXRIBHLNNX-ZDUSSCGKSA-N 1 3 224.348 1.239 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(C)COC1)C2 ZINC001172102690 974360100 /nfs/dbraw/zinc/36/01/00/974360100.db2.gz ODZNMQPPKPGRRM-CNDDSTCGSA-N 1 3 224.348 1.380 20 0 BDADHO Cc1csc(NC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001218622506 971886392 /nfs/dbraw/zinc/88/63/92/971886392.db2.gz YYIXEWIBPRSNII-VIFPVBQESA-N 1 3 241.360 1.451 20 0 BDADHO CC(C)(C)[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345388 972003451 /nfs/dbraw/zinc/00/34/51/972003451.db2.gz LVWJZTUYXNWSPE-NSHDSACASA-N 1 3 235.331 1.457 20 0 BDADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135979610 972014805 /nfs/dbraw/zinc/01/48/05/972014805.db2.gz HRGVDTKRNSJWLI-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135979613 972015393 /nfs/dbraw/zinc/01/53/93/972015393.db2.gz HRGVDTKRNSJWLI-VXGBXAGGSA-N 1 3 243.395 1.221 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001172346382 974614631 /nfs/dbraw/zinc/61/46/31/974614631.db2.gz ZLNPAKANVIFXSE-QKEWWQLBSA-N 1 3 214.353 1.659 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)NC1CC([NH3+])C1 ZINC001172346382 974614639 /nfs/dbraw/zinc/61/46/39/974614639.db2.gz ZLNPAKANVIFXSE-QKEWWQLBSA-N 1 3 214.353 1.659 20 0 BDADHO CCOc1ccc(N[C@H](N)CCC[NH3+])cc1C ZINC001170901306 972054734 /nfs/dbraw/zinc/05/47/34/972054734.db2.gz YWPROLCUIBHCLN-ZDUSSCGKSA-N 1 3 237.347 1.829 20 0 BDADHO CC(C)Oc1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170900557 972066653 /nfs/dbraw/zinc/06/66/53/972066653.db2.gz WBNKHKAWASAKRM-CYBMUJFWSA-N 1 3 237.347 1.909 20 0 BDADHO Cc1cc2ncccc2cc1N[C@H](N)CCC[NH3+] ZINC001170900450 972066695 /nfs/dbraw/zinc/06/66/95/972066695.db2.gz LJGPCVFJJCSKON-AWEZNQCLSA-N 1 3 244.342 1.979 20 0 BDADHO CCc1cc(OC)ccc1N[C@H](N)CCC[NH3+] ZINC001170900221 972066750 /nfs/dbraw/zinc/06/67/50/972066750.db2.gz QMMRKQXVSZECGR-ZDUSSCGKSA-N 1 3 237.347 1.693 20 0 BDADHO COc1cccc(N[C@H](N)CCC[NH3+])c1 ZINC001170900918 972067351 /nfs/dbraw/zinc/06/73/51/972067351.db2.gz ZPDIBZKPDUZWRU-NSHDSACASA-N 1 3 209.293 1.131 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2c(c1)NCC2 ZINC001170905145 972081569 /nfs/dbraw/zinc/08/15/69/972081569.db2.gz SUUOVWMVRIADBQ-GFCCVEGCSA-N 1 3 220.320 1.090 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC001245999970 972113410 /nfs/dbraw/zinc/11/34/10/972113410.db2.gz KJEZLLSWLHZILS-YPMHNXCESA-N 1 3 238.331 1.056 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246089858 972142090 /nfs/dbraw/zinc/14/20/90/972142090.db2.gz CAHRANNIXDARLX-DDHJBXDOSA-N 1 3 214.328 1.855 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246089739 972142098 /nfs/dbraw/zinc/14/20/98/972142098.db2.gz SDUDSVDPTOXKOC-YPMHNXCESA-N 1 3 248.374 1.425 20 0 BDADHO C1CC12CNC[C@@H]2[NH2+]C1CCC2(COC2)CC1 ZINC001246130693 972188085 /nfs/dbraw/zinc/18/80/85/972188085.db2.gz JEJNOBRRBBBHBX-LBPRGKRZSA-N 1 3 236.359 1.287 20 0 BDADHO CC1(C)CC[C@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246133511 972190564 /nfs/dbraw/zinc/19/05/64/972190564.db2.gz OCPIDJTZQMYZRG-WDEREUQCSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000396704668 957186394 /nfs/dbraw/zinc/18/63/94/957186394.db2.gz OCXZKLILEUXFTG-WRWGMCAJSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H](CO)C2CCCCC2)CCN1 ZINC001246265644 972251400 /nfs/dbraw/zinc/25/14/00/972251400.db2.gz NBMNGLLRURIZOK-IACUBPJLSA-N 1 3 240.391 1.658 20 0 BDADHO CCOC(C)(C)CN1C[C@@H](C)CC[C@H]1C[NH3+] ZINC000705781090 957483608 /nfs/dbraw/zinc/48/36/08/957483608.db2.gz OTZUCEFKSPQODX-RYUDHWBXSA-N 1 3 228.380 1.861 20 0 BDADHO C[NH2+]CC[C@@H](C)N[C@H]1CNc2ccccc2C1 ZINC001246317007 972275604 /nfs/dbraw/zinc/27/56/04/972275604.db2.gz PYMDMUGMNPJLNZ-DGCLKSJQSA-N 1 3 233.359 1.611 20 0 BDADHO CCOC(=O)C(C)(C)CN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246313506 972275663 /nfs/dbraw/zinc/27/56/63/972275663.db2.gz FEPFZYMIJSVRSD-MNOVXSKESA-N 1 3 242.363 1.306 20 0 BDADHO CCOC(=O)C(C)(C)C[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246313506 972275669 /nfs/dbraw/zinc/27/56/69/972275669.db2.gz FEPFZYMIJSVRSD-MNOVXSKESA-N 1 3 242.363 1.306 20 0 BDADHO C[C@H]1CC[C@@H](NCC2CC(F)(F)C2)C[NH2+]1 ZINC000399005652 958481275 /nfs/dbraw/zinc/48/12/75/958481275.db2.gz XVGCFUMGXGSNCV-WCBMZHEXSA-N 1 3 218.291 1.762 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@H]2CCCCN2C)C[NH2+]1 ZINC000399008862 958484401 /nfs/dbraw/zinc/48/44/01/958484401.db2.gz BJEIVOYMMXXVRX-FRRDWIJNSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)[C@@H](CCO)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033059 958490208 /nfs/dbraw/zinc/49/02/08/958490208.db2.gz MWOJHBNFDJKCPG-GRYCIOLGSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@H]1OCC[C@H]1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399222979 958568456 /nfs/dbraw/zinc/56/84/56/958568456.db2.gz LDXPCXBBXPGRGY-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000693589215 958898973 /nfs/dbraw/zinc/89/89/73/958898973.db2.gz IZYUFFCFEDEJCP-RNJOBUHISA-N 1 3 208.349 1.894 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)[C@H]1CCN ZINC000404412732 959253073 /nfs/dbraw/zinc/25/30/73/959253073.db2.gz DTONKUZPQQVSSN-MCIONIFRSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)[C@H]1CCN ZINC000404412732 959253089 /nfs/dbraw/zinc/25/30/89/959253089.db2.gz DTONKUZPQQVSSN-MCIONIFRSA-N 1 3 240.391 1.862 20 0 BDADHO Cc1ncc(CN2CCCC[C@H](C[NH3+])C2)[nH]1 ZINC000724776540 959446158 /nfs/dbraw/zinc/44/61/58/959446158.db2.gz LIYRWLBOESYZDT-LLVKDONJSA-N 1 3 222.336 1.279 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246530834 972434711 /nfs/dbraw/zinc/43/47/11/972434711.db2.gz OHZZDCHYDNHMRR-NWDGAFQWSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246530834 972434715 /nfs/dbraw/zinc/43/47/15/972434715.db2.gz OHZZDCHYDNHMRR-NWDGAFQWSA-N 1 3 214.353 1.613 20 0 BDADHO NCC(CN)[NH2+]CCc1ccc2ccccc2c1 ZINC000695340928 960202985 /nfs/dbraw/zinc/20/29/85/960202985.db2.gz RXTKRMNVCNUBNR-UHFFFAOYSA-N 1 3 243.354 1.258 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC001207488691 960497965 /nfs/dbraw/zinc/49/79/65/960497965.db2.gz OSJMBSPGCKIBGN-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CCN1 ZINC000709329912 960516010 /nfs/dbraw/zinc/51/60/10/960516010.db2.gz JJHJJQYAOOMECO-WPRPVWTQSA-N 1 3 218.291 1.762 20 0 BDADHO C[NH+]1CCC2(CN(Cc3cc[nH]c3)C2)CC1 ZINC001140709006 960529756 /nfs/dbraw/zinc/52/97/56/960529756.db2.gz PRXQRNGWILUQKC-UHFFFAOYSA-N 1 3 219.332 1.542 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CO)CC2)CCN1 ZINC000709467561 960612214 /nfs/dbraw/zinc/61/22/14/960612214.db2.gz UOZFVKAPBBTGBR-AGIUHOORSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CO)CC2)CCN1 ZINC000709467561 960612221 /nfs/dbraw/zinc/61/22/21/960612221.db2.gz UOZFVKAPBBTGBR-AGIUHOORSA-N 1 3 226.364 1.221 20 0 BDADHO c1cc2cccc(C[N@@H+]3CCCNCC3)c2[nH]1 ZINC001204675445 961403813 /nfs/dbraw/zinc/40/38/13/961403813.db2.gz NJUROJHYJBILFK-UHFFFAOYSA-N 1 3 229.327 1.963 20 0 BDADHO c1cc2cccc(C[N@H+]3CCCNCC3)c2[nH]1 ZINC001204675445 961403824 /nfs/dbraw/zinc/40/38/24/961403824.db2.gz NJUROJHYJBILFK-UHFFFAOYSA-N 1 3 229.327 1.963 20 0 BDADHO Cc1cnc(N[C@@H]2CC[NH2+][C@@H]2C)cc1N ZINC001155188612 963014671 /nfs/dbraw/zinc/01/46/71/963014671.db2.gz QOLKBJMQADVHQI-PSASIEDQSA-N 1 3 206.293 1.135 20 0 BDADHO C[NH2+]CCNc1cc(Cl)nc2c1CCNC2 ZINC001156893494 963483876 /nfs/dbraw/zinc/48/38/76/963483876.db2.gz HGONUXWDUFTIMT-UHFFFAOYSA-N 1 3 240.738 1.012 20 0 BDADHO C[NH2+]CCNc1ccc(CN(C)C2CC2)cn1 ZINC001156897165 963486906 /nfs/dbraw/zinc/48/69/06/963486906.db2.gz FBIDYYCJHAJINS-UHFFFAOYSA-N 1 3 234.347 1.307 20 0 BDADHO Cc1cc2[nH]ccc2c(NC(=N)SCC[NH3+])n1 ZINC001157129181 963536450 /nfs/dbraw/zinc/53/64/50/963536450.db2.gz KDZYRANKSNYBJI-UHFFFAOYSA-N 1 3 249.343 1.910 20 0 BDADHO CC(C)[N@H+](CCCN)[C@H]1CCO[C@H](C)C1 ZINC001168073347 963606917 /nfs/dbraw/zinc/60/69/17/963606917.db2.gz CNZYRTWYKWKQBL-NEPJUHHUSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@H]1CCO[C@H](C)C1 ZINC001168073347 963606926 /nfs/dbraw/zinc/60/69/26/963606926.db2.gz CNZYRTWYKWKQBL-NEPJUHHUSA-N 1 3 214.353 1.613 20 0 BDADHO CN(C)c1ccnc(N[C@H]2C[NH2+]CC[C@H]2F)c1 ZINC001157447301 963608405 /nfs/dbraw/zinc/60/84/05/963608405.db2.gz BJJXFWXRIZIZPV-MNOVXSKESA-N 1 3 238.310 1.260 20 0 BDADHO Cc1cnc(N2C[C@H](C)[NH2+][C@@H](C)C2)cc1N ZINC001158176488 963820822 /nfs/dbraw/zinc/82/08/22/963820822.db2.gz GCBGNFKHURXUFZ-UWVGGRQHSA-N 1 3 220.320 1.159 20 0 BDADHO F[C@@H]1CC[NH2+]C[C@@H]1Nc1c[nH]cc2ccnc1-2 ZINC001168227034 964005887 /nfs/dbraw/zinc/00/58/87/964005887.db2.gz UBVWBVXYWWQJBB-ZJUUUORDSA-N 1 3 234.278 1.675 20 0 BDADHO F[C@@H]1CC[NH2+]C[C@@H]1Nc1cncc2cc[nH]c21 ZINC001168227034 964005896 /nfs/dbraw/zinc/00/58/96/964005896.db2.gz UBVWBVXYWWQJBB-ZJUUUORDSA-N 1 3 234.278 1.675 20 0 BDADHO CN1CC(CNc2cc(N3CCCC3)cc[nH+]2)C1 ZINC001159219500 964019320 /nfs/dbraw/zinc/01/93/20/964019320.db2.gz LCFYGBZJSFZWQO-UHFFFAOYSA-N 1 3 246.358 1.655 20 0 BDADHO NCc1cc(NC=CC2CC[NH2+]CC2)ccn1 ZINC001159296262 964055763 /nfs/dbraw/zinc/05/57/63/964055763.db2.gz JGRJFXOKBNPCJJ-XVNBXDOJSA-N 1 3 232.331 1.466 20 0 BDADHO CCCC1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160455281 964305877 /nfs/dbraw/zinc/30/58/77/964305877.db2.gz SJNFKFPAAAYOCO-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])Nc1cc(N)ccn1 ZINC001160911732 964441021 /nfs/dbraw/zinc/44/10/21/964441021.db2.gz BTNCJOIPZNVIMN-VIFPVBQESA-N 1 3 208.309 1.449 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CCOC[C@H]1C)N(C)C ZINC000697891325 964651459 /nfs/dbraw/zinc/65/14/59/964651459.db2.gz RLPBRZIHCRKVBK-UTUOFQBUSA-N 1 3 214.353 1.341 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CO[C@H]1CN2CCC1CC2 ZINC001224700892 964888111 /nfs/dbraw/zinc/88/81/11/964888111.db2.gz BVPHTCKMTDXHIU-KGLIPLIRSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CO[C@H]1CN2CCC1CC2 ZINC001224700892 964888112 /nfs/dbraw/zinc/88/81/12/964888112.db2.gz BVPHTCKMTDXHIU-KGLIPLIRSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccnc(CN)c1 ZINC001162468262 964987623 /nfs/dbraw/zinc/98/76/23/964987623.db2.gz WEPUYBXSDCXMQW-NWDGAFQWSA-N 1 3 248.374 1.588 20 0 BDADHO CN1CCC[C@H](OC[C@@H]2CCC[N@@H+]2C)C1 ZINC001224817026 964988126 /nfs/dbraw/zinc/98/81/26/964988126.db2.gz GMMBAUGOFIQUJQ-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@H](OC[C@@H]2CCC[N@H+]2C)C1 ZINC001224817026 964988136 /nfs/dbraw/zinc/98/81/36/964988136.db2.gz GMMBAUGOFIQUJQ-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cncn1C ZINC001162459513 964989732 /nfs/dbraw/zinc/98/97/32/964989732.db2.gz ZRCXUPQDCBJFRK-MNOVXSKESA-N 1 3 222.336 1.468 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCC(C)(C)F ZINC000698235476 965121989 /nfs/dbraw/zinc/12/19/89/965121989.db2.gz FCSKFQAYLJQWMB-VHSXEESVSA-N 1 3 202.317 1.855 20 0 BDADHO C[n+]1cccc(N[C@H]2CNCc3ccsc32)c1 ZINC001163229469 965313068 /nfs/dbraw/zinc/31/30/68/965313068.db2.gz JIIZTDXURMMUDG-LBPRGKRZSA-N 1 3 246.359 1.829 20 0 BDADHO NCc1cc(N[C@H](C[NH3+])c2ccccc2)ncn1 ZINC001163294506 965324894 /nfs/dbraw/zinc/32/48/94/965324894.db2.gz TVCDIFQZGKONEI-GFCCVEGCSA-N 1 3 243.314 1.047 20 0 BDADHO C[n+]1cccc(N[C@H]2CN3CCC2CC3)c1 ZINC001163394310 965394056 /nfs/dbraw/zinc/39/40/56/965394056.db2.gz FGPAZHPUMBMZAW-ZDUSSCGKSA-N 1 3 218.324 1.017 20 0 BDADHO Cc1cc(CN)nn1-c1cccc2c1CC[C@H]2[NH3+] ZINC001163986067 965679785 /nfs/dbraw/zinc/67/97/85/965679785.db2.gz QQNIRZBLMDYEOS-CYBMUJFWSA-N 1 3 242.326 1.585 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2c[nH]c3cnccc23)CC1 ZINC001205109063 965826719 /nfs/dbraw/zinc/82/67/19/965826719.db2.gz ACWMFSHPEJIQNT-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO CC[C@H]1COC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000699538887 965954732 /nfs/dbraw/zinc/95/47/32/965954732.db2.gz DLMLZICSDNKKMO-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1cc(C)nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1 ZINC001165269304 966020011 /nfs/dbraw/zinc/02/00/11/966020011.db2.gz IIXUHJCQTKUPQC-STQMWFEESA-N 1 3 247.342 1.266 20 0 BDADHO Cn1cncc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165272410 966020151 /nfs/dbraw/zinc/02/01/51/966020151.db2.gz HVHRDPIWNQLQPW-NSHDSACASA-N 1 3 222.336 1.564 20 0 BDADHO Cn1cncc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165272410 966020160 /nfs/dbraw/zinc/02/01/60/966020160.db2.gz HVHRDPIWNQLQPW-NSHDSACASA-N 1 3 222.336 1.564 20 0 BDADHO Cn1c(=O)cccc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165291216 966032867 /nfs/dbraw/zinc/03/28/67/966032867.db2.gz ZACLUPUEWYALPF-LBPRGKRZSA-N 1 3 249.358 1.529 20 0 BDADHO Cn1c(=O)cccc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165291216 966032880 /nfs/dbraw/zinc/03/28/80/966032880.db2.gz ZACLUPUEWYALPF-LBPRGKRZSA-N 1 3 249.358 1.529 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000699773179 966083778 /nfs/dbraw/zinc/08/37/78/966083778.db2.gz GBCAESTZWRYOFE-JXJLXUTGSA-N 1 3 232.327 1.756 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@H]2C1 ZINC001204089815 966888748 /nfs/dbraw/zinc/88/87/48/966888748.db2.gz RKENJFLURRXQGD-CYDGBPFRSA-N 1 3 240.416 1.669 20 0 BDADHO [NH3+]CCCCN1CC2(C1)CC(F)(F)C2 ZINC001204749105 967147599 /nfs/dbraw/zinc/14/75/99/967147599.db2.gz XWVCCTQOONURSI-UHFFFAOYSA-N 1 3 204.264 1.456 20 0 BDADHO C[C@@H]1CN(CC[NH3+])[C@@H](C)CN1Cc1ccccc1 ZINC001204895723 967216902 /nfs/dbraw/zinc/21/69/02/967216902.db2.gz BRPOUAIOXRZNQO-UONOGXRCSA-N 1 3 247.386 1.540 20 0 BDADHO COc1ccc(CN2CCC(C[NH3+])CC2)nc1C ZINC001205058616 967313284 /nfs/dbraw/zinc/31/32/84/967313284.db2.gz OZRZICMYNGHGNP-UHFFFAOYSA-N 1 3 249.358 1.569 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2c[nH]c3ncccc23)CC1 ZINC001205101406 967349252 /nfs/dbraw/zinc/34/92/52/967349252.db2.gz FCDZLMAYQRNIDX-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2cccc3c[nH]nc32)CC1 ZINC001205117928 967365023 /nfs/dbraw/zinc/36/50/23/967365023.db2.gz ZBMPBJOYMFDPND-ZDUSSCGKSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@]1([NH3+])CCCN(Cc2ccccc2N)CC1 ZINC001205287900 967479483 /nfs/dbraw/zinc/47/94/83/967479483.db2.gz CVBDONLAVHCUJV-AWEZNQCLSA-N 1 3 233.359 1.972 20 0 BDADHO Cc1nc[nH]c1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546608 967689301 /nfs/dbraw/zinc/68/93/01/967689301.db2.gz XBMVOWGLVMRCLA-LBPRGKRZSA-N 1 3 240.326 1.371 20 0 BDADHO C[C@H]1CN(Cc2ncc[nH]2)CCC[C@H]1C[NH3+] ZINC001205992134 967939394 /nfs/dbraw/zinc/93/93/94/967939394.db2.gz DUXUDMGDFVJQJH-QWRGUYRKSA-N 1 3 222.336 1.217 20 0 BDADHO C[C@H]1C[N@H+](Cc2cncc([O-])c2)CCC[C@H]1C[NH3+] ZINC001206012761 967967651 /nfs/dbraw/zinc/96/76/51/967967651.db2.gz NPTUJSVRDKUWAF-AAEUAGOBSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1C[N@@H+](Cc2cncc([O-])c2)CCC[C@H]1C[NH3+] ZINC001206012761 967967666 /nfs/dbraw/zinc/96/76/66/967967666.db2.gz NPTUJSVRDKUWAF-AAEUAGOBSA-N 1 3 249.358 1.594 20 0 BDADHO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)ccn1 ZINC001206164808 968101545 /nfs/dbraw/zinc/10/15/45/968101545.db2.gz LLJMZVQROSPNDD-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)ccn1 ZINC001206164808 968101552 /nfs/dbraw/zinc/10/15/52/968101552.db2.gz LLJMZVQROSPNDD-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO [NH3+]CCCCN1CCCC(F)(F)[C@@H](F)C1 ZINC001206744194 968451768 /nfs/dbraw/zinc/45/17/68/968451768.db2.gz GXWFXLVAGIZJIR-VIFPVBQESA-N 1 3 224.270 1.795 20 0 BDADHO CCN1C[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@H]2C1 ZINC001207125759 968644888 /nfs/dbraw/zinc/64/48/88/968644888.db2.gz LQGWGHSSNUZISE-CHWSQXEVSA-N 1 3 247.342 1.171 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@H](CO)C1 ZINC001207274466 968704860 /nfs/dbraw/zinc/70/48/60/968704860.db2.gz CRLQDTGRHCYXRP-LBPRGKRZSA-N 1 3 228.380 1.279 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC2(COC2)C1 ZINC001207280267 968713841 /nfs/dbraw/zinc/71/38/41/968713841.db2.gz SNICPHBPQVJJBH-UHFFFAOYSA-N 1 3 226.364 1.297 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@@](C)(O)C1 ZINC001207286509 968716669 /nfs/dbraw/zinc/71/66/69/968716669.db2.gz VNYIOPULSLZFFN-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC001207487627 968803326 /nfs/dbraw/zinc/80/33/26/968803326.db2.gz OSJMBSPGCKIBGN-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CCC(CC)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253383286 969146684 /nfs/dbraw/zinc/14/66/84/969146684.db2.gz DSINMPRSHQLYQL-NSHDSACASA-N 1 3 216.369 1.514 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC001253409133 969162071 /nfs/dbraw/zinc/16/20/71/969162071.db2.gz OUGSPFRVFDIVGX-RYUDHWBXSA-N 1 3 242.407 1.904 20 0 BDADHO CCN1CCN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C)C1 ZINC001208612574 969173925 /nfs/dbraw/zinc/17/39/25/969173925.db2.gz CAIRXDUZWIAGQM-ZIAGYGMSSA-N 1 3 239.407 1.354 20 0 BDADHO CCN1CCN(C[C@@H]2CCC[N@@H+](C)C2)[C@H](C)C1 ZINC001208612574 969173927 /nfs/dbraw/zinc/17/39/27/969173927.db2.gz CAIRXDUZWIAGQM-ZIAGYGMSSA-N 1 3 239.407 1.354 20 0 BDADHO Cc1cc(NC2=CCN(C)CC2)cc[nH+]1 ZINC001208720056 969204882 /nfs/dbraw/zinc/20/48/82/969204882.db2.gz XRZYWIQXXLPLBT-UHFFFAOYSA-N 1 3 203.289 1.443 20 0 BDADHO CN1CC=C(Nc2cc[nH+]c3c2CCC3)CC1 ZINC001208742926 969231263 /nfs/dbraw/zinc/23/12/63/969231263.db2.gz YSZVUFPXUQXLLV-UHFFFAOYSA-N 1 3 229.327 1.624 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCC=CO1)CC2 ZINC001208883355 969270971 /nfs/dbraw/zinc/27/09/71/969270971.db2.gz USSABGUYTNPTRV-ZDUSSCGKSA-N 1 3 236.359 1.707 20 0 BDADHO CN(CCCc1cccnc1)CCC[NH+](C)C ZINC001209177389 969372214 /nfs/dbraw/zinc/37/22/14/969372214.db2.gz ORBCCZLFSOZQOO-UHFFFAOYSA-N 1 3 235.375 1.898 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCn1ccnc1)C2 ZINC001169081351 969404123 /nfs/dbraw/zinc/40/41/23/969404123.db2.gz RUXKPUSWIVDXCE-ZSOGYDGISA-N 1 3 248.374 1.488 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1ccncn1)C2 ZINC001169123099 969418085 /nfs/dbraw/zinc/41/80/85/969418085.db2.gz IZDLYRBLXYMBLT-ZSOGYDGISA-N 1 3 246.358 1.234 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1ccncn1)C2 ZINC001169123099 969418089 /nfs/dbraw/zinc/41/80/89/969418089.db2.gz IZDLYRBLXYMBLT-ZSOGYDGISA-N 1 3 246.358 1.234 20 0 BDADHO CC[NH+]1CCC(n2nc(CN)cc2C)CC1 ZINC001169221804 969493723 /nfs/dbraw/zinc/49/37/23/969493723.db2.gz NBPOEBVBENFFOG-UHFFFAOYSA-N 1 3 222.336 1.307 20 0 BDADHO CN1C[C@@H]2C[C@H]1CN2CCC[NH+]1CCCCC1 ZINC001209449846 969519948 /nfs/dbraw/zinc/51/99/48/969519948.db2.gz AVJBYERWQQFKMG-KBPBESRZSA-N 1 3 237.391 1.251 20 0 BDADHO CC(C)(N)C(C)(C)[NH2+][C@@H]1CCCOC1 ZINC001254369509 969581229 /nfs/dbraw/zinc/58/12/29/969581229.db2.gz IBBAVDAMHMJISB-SECBINFHSA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)([NH3+])C(C)(C)N[C@@H]1CCCOC1 ZINC001254369509 969581231 /nfs/dbraw/zinc/58/12/31/969581231.db2.gz IBBAVDAMHMJISB-SECBINFHSA-N 1 3 200.326 1.271 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001169446532 969634361 /nfs/dbraw/zinc/63/43/61/969634361.db2.gz IPNIJAGYMFSZLK-VXGBXAGGSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001169446532 969634368 /nfs/dbraw/zinc/63/43/68/969634368.db2.gz IPNIJAGYMFSZLK-VXGBXAGGSA-N 1 3 243.395 1.160 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)N(C)C[C@H](C)C[NH3+] ZINC001169446532 969634378 /nfs/dbraw/zinc/63/43/78/969634378.db2.gz IPNIJAGYMFSZLK-VXGBXAGGSA-N 1 3 243.395 1.160 20 0 BDADHO C[C@@H]1C[N@H+](Cc2ccc([O-])cn2)CCC[C@@H]1C[NH3+] ZINC001206011663 969635362 /nfs/dbraw/zinc/63/53/62/969635362.db2.gz FTUCMOMZDAPYBD-VXGBXAGGSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2ccc([O-])cn2)CCC[C@@H]1C[NH3+] ZINC001206011663 969635369 /nfs/dbraw/zinc/63/53/69/969635369.db2.gz FTUCMOMZDAPYBD-VXGBXAGGSA-N 1 3 249.358 1.594 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001254529292 969724813 /nfs/dbraw/zinc/72/48/13/969724813.db2.gz LQOOGCWIFUJGDG-IHRRRGAJSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001254529292 969724822 /nfs/dbraw/zinc/72/48/22/969724822.db2.gz LQOOGCWIFUJGDG-IHRRRGAJSA-N 1 3 238.375 1.582 20 0 BDADHO Cc1cc(N)[nH+]cc1Nc1ccnc(CO)c1 ZINC001209965233 969726009 /nfs/dbraw/zinc/72/60/09/969726009.db2.gz PLSYQEKRTGDJBR-UHFFFAOYSA-N 1 3 230.271 1.603 20 0 BDADHO Cc1cc(N)ncc1Nc1cc[nH+]c(CO)c1 ZINC001209965233 969726015 /nfs/dbraw/zinc/72/60/15/969726015.db2.gz PLSYQEKRTGDJBR-UHFFFAOYSA-N 1 3 230.271 1.603 20 0 BDADHO [NH3+]Cc1ccn(-c2c[nH]cc3ccnc2-3)c1 ZINC001169726345 969819988 /nfs/dbraw/zinc/81/99/88/969819988.db2.gz TVMWVBHKIULKHW-UHFFFAOYSA-N 1 3 212.256 1.812 20 0 BDADHO [NH3+]Cc1ccn(-c2cncc3cc[nH]c32)c1 ZINC001169726345 969819992 /nfs/dbraw/zinc/81/99/92/969819992.db2.gz TVMWVBHKIULKHW-UHFFFAOYSA-N 1 3 212.256 1.812 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254916498 969820712 /nfs/dbraw/zinc/82/07/12/969820712.db2.gz ZNZJKGBEMFYDMU-FIQHERPVSA-N 1 3 236.359 1.604 20 0 BDADHO CC1([NH3+])CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254926797 969823680 /nfs/dbraw/zinc/82/36/80/969823680.db2.gz GVSRMJRUWBSQBK-GHMZBOCLSA-N 1 3 236.359 1.557 20 0 BDADHO CN(C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC001255044324 969863671 /nfs/dbraw/zinc/86/36/71/969863671.db2.gz QPUQJXJRTZGNHU-UHFFFAOYSA-N 1 3 238.375 1.724 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1CCSC1 ZINC001255268304 970020694 /nfs/dbraw/zinc/02/06/94/970020694.db2.gz DKKLCOJMAXSYGT-SNVBAGLBSA-N 1 3 202.367 1.553 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1CCSC1 ZINC001255268304 970020702 /nfs/dbraw/zinc/02/07/02/970020702.db2.gz DKKLCOJMAXSYGT-SNVBAGLBSA-N 1 3 202.367 1.553 20 0 BDADHO CN(C)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255279227 970030329 /nfs/dbraw/zinc/03/03/29/970030329.db2.gz HSSIVCOCYXIESL-NSHDSACASA-N 1 3 214.378 1.518 20 0 BDADHO CC(C)[N@H+]([C@@H]1CCCN(C)C1)C(C)(C)CN ZINC001255479481 970210711 /nfs/dbraw/zinc/21/07/11/970210711.db2.gz IWNYAPWUKICSFV-GFCCVEGCSA-N 1 3 227.396 1.528 20 0 BDADHO CC(C)[N@@H+]([C@@H]1CCCN(C)C1)C(C)(C)CN ZINC001255479481 970210719 /nfs/dbraw/zinc/21/07/19/970210719.db2.gz IWNYAPWUKICSFV-GFCCVEGCSA-N 1 3 227.396 1.528 20 0 BDADHO CN1CCC[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001255493164 970254430 /nfs/dbraw/zinc/25/44/30/970254430.db2.gz UUBIHSORWNPRGV-HZSPNIEDSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001255493164 970254444 /nfs/dbraw/zinc/25/44/44/970254444.db2.gz UUBIHSORWNPRGV-HZSPNIEDSA-N 1 3 237.391 1.249 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(c3cccc(N)n3)C[C@H]2C1 ZINC001157691002 970539388 /nfs/dbraw/zinc/53/93/88/970539388.db2.gz NJMUDCSBIUSERN-TXEJJXNPSA-N 1 3 246.358 1.442 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(c3cccc(N)n3)C[C@H]2C1 ZINC001157691002 970539393 /nfs/dbraw/zinc/53/93/93/970539393.db2.gz NJMUDCSBIUSERN-TXEJJXNPSA-N 1 3 246.358 1.442 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)CCO1 ZINC001170182173 970561804 /nfs/dbraw/zinc/56/18/04/970561804.db2.gz MNUILGSSIMFKAL-OUAUKWLOSA-N 1 3 200.326 1.128 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCCCC(=O)OC ZINC001255940779 970564387 /nfs/dbraw/zinc/56/43/87/970564387.db2.gz GKAAJSOSOMAJRY-LBPRGKRZSA-N 1 3 244.379 1.650 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCCC(=O)OC ZINC001255940779 970564391 /nfs/dbraw/zinc/56/43/91/970564391.db2.gz GKAAJSOSOMAJRY-LBPRGKRZSA-N 1 3 244.379 1.650 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@@]1(C)C[C@H](O)C1 ZINC001255944878 970564695 /nfs/dbraw/zinc/56/46/95/970564695.db2.gz HRZDUAQTSWRJNU-JHJVBQTASA-N 1 3 228.380 1.610 20 0 BDADHO CCOC(=O)CC[NH2+][C@@H](C)CCN(CC)CC ZINC001255940939 970571142 /nfs/dbraw/zinc/57/11/42/970571142.db2.gz JJWUDQJANHFGDP-LBPRGKRZSA-N 1 3 244.379 1.650 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CCN2CC[C@H]2C1 ZINC001255969189 970609328 /nfs/dbraw/zinc/60/93/28/970609328.db2.gz VADOQSIBELEFPO-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CN(C)[C@H]1CC[N@@H+](C2CCN(C3CC3)CC2)C1 ZINC001256072771 970638373 /nfs/dbraw/zinc/63/83/73/970638373.db2.gz HNEUMKVFPRYTGV-AWEZNQCLSA-N 1 3 237.391 1.249 20 0 BDADHO CN(C)[C@H]1CC[N@H+](C2CCN(C3CC3)CC2)C1 ZINC001256072771 970638381 /nfs/dbraw/zinc/63/83/81/970638381.db2.gz HNEUMKVFPRYTGV-AWEZNQCLSA-N 1 3 237.391 1.249 20 0 BDADHO CN1C[C@@H]2C[N@H+](C3CCN(C4CC4)CC3)C[C@@H]2C1 ZINC001256079405 970645562 /nfs/dbraw/zinc/64/55/62/970645562.db2.gz JSWGWWRLEPXBSP-BETUJISGSA-N 1 3 249.402 1.107 20 0 BDADHO CN1C[C@@H]2C[N@@H+](C3CCN(C4CC4)CC3)C[C@@H]2C1 ZINC001256079405 970645565 /nfs/dbraw/zinc/64/55/65/970645565.db2.gz JSWGWWRLEPXBSP-BETUJISGSA-N 1 3 249.402 1.107 20 0 BDADHO c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)no1 ZINC000400988456 970651689 /nfs/dbraw/zinc/65/16/89/970651689.db2.gz WQWWYFBAHHWWLV-GARJFASQSA-N 1 3 221.304 1.152 20 0 BDADHO CCN1CC[N@@H+](C2CCN(C)CC2)C[C@H]1C ZINC001256214267 970716504 /nfs/dbraw/zinc/71/65/04/970716504.db2.gz GRWPYTCUEQPLRW-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CC[N@H+](C2CCN(C)CC2)C[C@H]1C ZINC001256214267 970716511 /nfs/dbraw/zinc/71/65/11/970716511.db2.gz GRWPYTCUEQPLRW-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO Cc1cc(C)c(CN2CCC(F)(C[NH3+])CC2)[nH]1 ZINC001222531585 972549008 /nfs/dbraw/zinc/54/90/08/972549008.db2.gz DNJVNJHDIPNEHF-UHFFFAOYSA-N 1 3 239.338 1.894 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(CF)CC2)CCN1 ZINC001246568170 972823019 /nfs/dbraw/zinc/82/30/19/972823019.db2.gz MDANXLFNXZTQNH-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@](O)(CF)CC2)CCN1 ZINC001246568170 972823024 /nfs/dbraw/zinc/82/30/24/972823024.db2.gz MDANXLFNXZTQNH-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@](O)(CF)CC2)CC[NH2+]1 ZINC001246568170 972823027 /nfs/dbraw/zinc/82/30/27/972823027.db2.gz MDANXLFNXZTQNH-FRRDWIJNSA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[N@@H+](C2CCNCC2)CCC[C@@]1(C)O ZINC001246590317 972996574 /nfs/dbraw/zinc/99/65/74/972996574.db2.gz JCRLEPLEGDCBOX-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[N@H+](C2CCNCC2)CCC[C@@]1(C)O ZINC001246590317 972996584 /nfs/dbraw/zinc/99/65/84/972996584.db2.gz JCRLEPLEGDCBOX-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[C@@H]1C[C@H](N2CCNC[C@H](F)C2)CC[NH2+]1 ZINC001246598871 973021211 /nfs/dbraw/zinc/02/12/11/973021211.db2.gz OXLCUHZLRTUWQC-XQQFMLRXSA-N 1 3 243.370 1.006 20 0 BDADHO CC[C@@H]1C[C@H](N2C[C@@H](N)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246821611 973122914 /nfs/dbraw/zinc/12/29/14/973122914.db2.gz SYSWMJVBUCOKQH-CKIKVBCHSA-N 1 3 243.370 1.277 20 0 BDADHO [NH3+][C@]12CC[C@@H]1CN([C@H]1CCc3ncsc3C1)C2 ZINC001246851275 973154058 /nfs/dbraw/zinc/15/40/58/973154058.db2.gz FBWJRAYDEHXMSH-NRUUGDAUSA-N 1 3 249.383 1.424 20 0 BDADHO C[C@@H]1C[C@H](N2CCC(n3cccn3)CC2)CC[NH2+]1 ZINC001246866229 973215513 /nfs/dbraw/zinc/21/55/13/973215513.db2.gz ISFKUCPRTHXRGS-TZMCWYRMSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@@H]1C[C@H]([NH+]2CCC(n3cccn3)CC2)CCN1 ZINC001246866229 973215532 /nfs/dbraw/zinc/21/55/32/973215532.db2.gz ISFKUCPRTHXRGS-TZMCWYRMSA-N 1 3 248.374 1.661 20 0 BDADHO C1=C2NCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2CCC1 ZINC001246991243 973769689 /nfs/dbraw/zinc/76/96/89/973769689.db2.gz AAEIRGVWTFNPJV-YOOVYSLHSA-N 1 3 247.386 1.611 20 0 BDADHO C1=C2NCCN([C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2CCC1 ZINC001246991223 973770720 /nfs/dbraw/zinc/77/07/20/973770720.db2.gz AAEIRGVWTFNPJV-UKTARXLSSA-N 1 3 247.386 1.611 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)C1CCCCC1 ZINC001329518646 973811009 /nfs/dbraw/zinc/81/10/09/973811009.db2.gz ADBBLWGHGQGEFI-NHCYSSNCSA-N 1 3 241.379 1.136 20 0 BDADHO CC[NH+]1CCC(n2ncc3c2CCNC3)CC1 ZINC000257973979 974207605 /nfs/dbraw/zinc/20/76/05/974207605.db2.gz JPFVSXGTRFWMCL-UHFFFAOYSA-N 1 3 234.347 1.186 20 0 BDADHO C[C@H](C[N@@H+]1CC[C@H](N)[C@@H](F)CC1)C(F)(F)F ZINC001206152772 974231814 /nfs/dbraw/zinc/23/18/14/974231814.db2.gz ARVNSVNSRHGJGT-VGMNWLOBSA-N 1 3 242.260 1.946 20 0 BDADHO C[C@H](C[N@H+]1CC[C@H](N)[C@@H](F)CC1)C(F)(F)F ZINC001206152772 974231825 /nfs/dbraw/zinc/23/18/25/974231825.db2.gz ARVNSVNSRHGJGT-VGMNWLOBSA-N 1 3 242.260 1.946 20 0 BDADHO Cn1cccc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156895 974332665 /nfs/dbraw/zinc/33/26/65/974332665.db2.gz UBCRXLLWBYSJSK-NEPJUHHUSA-N 1 3 225.311 1.286 20 0 BDADHO Cn1cccc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156895 974332678 /nfs/dbraw/zinc/33/26/78/974332678.db2.gz UBCRXLLWBYSJSK-NEPJUHHUSA-N 1 3 225.311 1.286 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H]1CN)C2 ZINC001172104820 974364220 /nfs/dbraw/zinc/36/42/20/974364220.db2.gz GIVREJKUDPJGCR-CRWXNKLISA-N 1 3 237.391 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H]1CN)C2 ZINC001172104820 974364228 /nfs/dbraw/zinc/36/42/28/974364228.db2.gz GIVREJKUDPJGCR-CRWXNKLISA-N 1 3 237.391 1.425 20 0 BDADHO CCC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)COC1 ZINC001172108171 974370345 /nfs/dbraw/zinc/37/03/45/974370345.db2.gz QVNDUHKMWPJDRG-CLLJXQQHSA-N 1 3 238.375 1.770 20 0 BDADHO C(C[NH2+]C1C[C@H]2CC[C@@H](C1)O2)CN1CCCC1 ZINC001172217971 974444826 /nfs/dbraw/zinc/44/48/26/974444826.db2.gz UHYLIIKQEJSFBX-AGUYFDCRSA-N 1 3 238.375 1.772 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172238683 974498075 /nfs/dbraw/zinc/49/80/75/974498075.db2.gz YSCJVDPWPIYXIF-WQGXVZNYSA-N 1 3 248.370 1.356 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C3C[C@@H]4C=C[C@H](C3)O4)C[C@@H]2C1 ZINC001172238683 974498083 /nfs/dbraw/zinc/49/80/83/974498083.db2.gz YSCJVDPWPIYXIF-WQGXVZNYSA-N 1 3 248.370 1.356 20 0 BDADHO COCCCN1CCC([NH2+]CCF)CC1 ZINC001172244751 974508971 /nfs/dbraw/zinc/50/89/71/974508971.db2.gz WWPTZRUIQJCYBX-UHFFFAOYSA-N 1 3 218.316 1.046 20 0 BDADHO COCCC[NH+]1CCC(N2CC[C@H]2C)CC1 ZINC001172252939 974514758 /nfs/dbraw/zinc/51/47/58/974514758.db2.gz XPTSHUOFJDEVMV-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@@H]1COC(C)(C)C1)CC2 ZINC001172290143 974557389 /nfs/dbraw/zinc/55/73/89/974557389.db2.gz AVEKISCSZZPYHO-LBPRGKRZSA-N 1 3 238.375 1.582 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC001172412588 974678237 /nfs/dbraw/zinc/67/82/37/974678237.db2.gz ZFOOMLLWZJTGNO-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CCC[C@H](N)C1 ZINC001172412588 974678242 /nfs/dbraw/zinc/67/82/42/974678242.db2.gz ZFOOMLLWZJTGNO-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO CC(C)COCC[C@@H](C)[N@@H+]1CCC[C@@H](N)C1 ZINC001172459161 974824454 /nfs/dbraw/zinc/82/44/54/974824454.db2.gz FRCUDRDADHTHKB-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@H](N)C1 ZINC001172459161 974824456 /nfs/dbraw/zinc/82/44/56/974824456.db2.gz FRCUDRDADHTHKB-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO COC(=O)[C@H]1CCC[C@H](NC(C)(C)C[NH3+])C1 ZINC001172584984 974890311 /nfs/dbraw/zinc/89/03/11/974890311.db2.gz DCHRDWMIUZPGFA-UWVGGRQHSA-N 1 3 228.336 1.045 20 0 BDADHO CN(C)Cc1ccccc1O[C@@H]1CC[N@H+](C)C1 ZINC001229700089 976948551 /nfs/dbraw/zinc/94/85/51/976948551.db2.gz VTINNBTVBGVRBN-CYBMUJFWSA-N 1 3 234.343 1.831 20 0 BDADHO CN(C)Cc1ccccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001229700089 976948575 /nfs/dbraw/zinc/94/85/75/976948575.db2.gz VTINNBTVBGVRBN-CYBMUJFWSA-N 1 3 234.343 1.831 20 0 BDADHO COc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cn1 ZINC001335380386 977011249 /nfs/dbraw/zinc/01/12/49/977011249.db2.gz FRJMKPQPZVYSLV-QWRGUYRKSA-N 1 3 237.347 1.348 20 0 BDADHO CC[NH+]1CCC(Oc2nncc3n[nH]cc32)CC1 ZINC001230894533 977361406 /nfs/dbraw/zinc/36/14/06/977361406.db2.gz ALNFDNAZATTXML-UHFFFAOYSA-N 1 3 247.302 1.216 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+]1C)c1ccncc1 ZINC001337707795 978466449 /nfs/dbraw/zinc/46/64/49/978466449.db2.gz RMZQGGOCAVSSNI-LBPRGKRZSA-N 1 3 205.305 1.612 20 0 BDADHO CN(C[C@@H]1CCC[N@H+]1C)c1ccncc1 ZINC001337707795 978466459 /nfs/dbraw/zinc/46/64/59/978466459.db2.gz RMZQGGOCAVSSNI-LBPRGKRZSA-N 1 3 205.305 1.612 20 0 BDADHO CCOCCN[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001277856386 978835461 /nfs/dbraw/zinc/83/54/61/978835461.db2.gz OOOUJDBAQUZKRC-OLZOCXBDSA-N 1 3 226.364 1.677 20 0 BDADHO [NH3+]CCCCN1CCc2nc(Cl)ncc2C1 ZINC001235815604 979159704 /nfs/dbraw/zinc/15/97/04/979159704.db2.gz MNMHUKBKTHXXSC-UHFFFAOYSA-N 1 3 240.738 1.227 20 0 BDADHO CC[NH2+]CCN1CCN[C@H](c2ccccc2)C1 ZINC001235859274 979175475 /nfs/dbraw/zinc/17/54/75/979175475.db2.gz MJOOTBQTIGLTTI-AWEZNQCLSA-N 1 3 233.359 1.242 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)Nc1ccccc1C[NH3+] ZINC001341572023 979472344 /nfs/dbraw/zinc/47/23/44/979472344.db2.gz ZACAZBDVDZWDSC-GFCCVEGCSA-N 1 3 249.358 1.847 20 0 BDADHO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc2c1CNC2 ZINC001341624778 979496902 /nfs/dbraw/zinc/49/69/02/979496902.db2.gz WHAPAPLHIBZREX-SNVBAGLBSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@]1(C[NH3+])CCCCN(Cc2cc[nH]c(=O)c2)C1 ZINC001206549267 979678114 /nfs/dbraw/zinc/67/81/14/979678114.db2.gz LJRIMFDWJTWCMM-CQSZACIVSA-N 1 3 249.358 1.738 20 0 BDADHO N[C@H](CC1CC1)C(=O)Nc1ccccc1C[NH3+] ZINC001342340940 979779020 /nfs/dbraw/zinc/77/90/20/979779020.db2.gz USOGGGMHJMOBEB-LLVKDONJSA-N 1 3 233.315 1.211 20 0 BDADHO CCN1C[C@@H]2C[N@@H+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222696 979851633 /nfs/dbraw/zinc/85/16/33/979851633.db2.gz GPYCOTXFIDALNM-OKILXGFUSA-N 1 3 245.370 1.652 20 0 BDADHO CCN1C[C@@H]2C[N@H+](Cc3cccc(N)c3)C[C@@H]2C1 ZINC001237222696 979851636 /nfs/dbraw/zinc/85/16/36/979851636.db2.gz GPYCOTXFIDALNM-OKILXGFUSA-N 1 3 245.370 1.652 20 0 BDADHO CC(C)CC[NH2+]C[C@H]1CN2CCC1CC2 ZINC001184134883 979945721 /nfs/dbraw/zinc/94/57/21/979945721.db2.gz JBYIRCYZXUFNLU-ZDUSSCGKSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001184387966 980057735 /nfs/dbraw/zinc/05/77/35/980057735.db2.gz OCCXOEJXKHLHGN-JHJVBQTASA-N 1 3 210.365 1.962 20 0 BDADHO NCc1cccc(-c2cncc(C[NH3+])c2)n1 ZINC001239785885 980916898 /nfs/dbraw/zinc/91/68/98/980916898.db2.gz CXLULDJWZLEBPY-UHFFFAOYSA-N 1 3 214.272 1.061 20 0 BDADHO CN1CC=C(c2ccc(OC3C[NH2+]C3)cn2)CC1 ZINC001241331881 982496610 /nfs/dbraw/zinc/49/66/10/982496610.db2.gz BVIJIURDHDWPNA-UHFFFAOYSA-N 1 3 245.326 1.151 20 0 BDADHO COC1(CNCC[C@@H](C)[NH+](C)C)CCC1 ZINC001353593202 982899461 /nfs/dbraw/zinc/89/94/61/982899461.db2.gz LEDHHYQVVKUZIN-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)nc(N)n1 ZINC001354393915 983296954 /nfs/dbraw/zinc/29/69/54/983296954.db2.gz DCBQEIRGAURPRI-HBNTYKKESA-N 1 3 247.346 1.119 20 0 BDADHO Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)nc(N)n1 ZINC001354393915 983296961 /nfs/dbraw/zinc/29/69/61/983296961.db2.gz DCBQEIRGAURPRI-HBNTYKKESA-N 1 3 247.346 1.119 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001357484404 983732114 /nfs/dbraw/zinc/73/21/14/983732114.db2.gz FCAUSNMLUHIUDJ-HBNTYKKESA-N 1 3 241.379 1.007 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001202530995 983876459 /nfs/dbraw/zinc/87/64/59/983876459.db2.gz YGJHOUIBSANXSD-MCIONIFRSA-N 1 3 238.375 1.297 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2C1 ZINC001202530995 983876462 /nfs/dbraw/zinc/87/64/62/983876462.db2.gz YGJHOUIBSANXSD-MCIONIFRSA-N 1 3 238.375 1.297 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCCC[C@@]12CCOC2 ZINC001574799676 984118722 /nfs/dbraw/zinc/11/87/22/984118722.db2.gz FHXHCMHTUDSGER-STQMWFEESA-N 1 3 224.348 1.241 20 0 BDADHO C[C@H](CCc1ccccc1)NC[C@@]1(O)CC[NH2+]C1 ZINC001575966482 984147783 /nfs/dbraw/zinc/14/77/83/984147783.db2.gz ORUCWAGHOBLKCF-UKRRQHHQSA-N 1 3 248.370 1.322 20 0 BDADHO C[C@H](O)[C@H](C)[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001576261773 984160374 /nfs/dbraw/zinc/16/03/74/984160374.db2.gz AXDLPMVBRMZZNJ-RVMXOQNASA-N 1 3 226.364 1.207 20 0 BDADHO C[C@H](O)[C@H](C)[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001576261773 984160384 /nfs/dbraw/zinc/16/03/84/984160384.db2.gz AXDLPMVBRMZZNJ-RVMXOQNASA-N 1 3 226.364 1.207 20 0 BDADHO CCC(CC)(CN)C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001577051208 984186424 /nfs/dbraw/zinc/18/64/24/984186424.db2.gz LCGGKTNEFHVGBP-FRRDWIJNSA-N 1 3 240.391 1.454 20 0 BDADHO CCC(CC)(CN)C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001577051208 984186429 /nfs/dbraw/zinc/18/64/29/984186429.db2.gz LCGGKTNEFHVGBP-FRRDWIJNSA-N 1 3 240.391 1.454 20 0 BDADHO CN1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528751 984215445 /nfs/dbraw/zinc/21/54/45/984215445.db2.gz KZKWWBDBEXAYQQ-CHWSQXEVSA-N 1 3 237.391 1.345 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622164 984216484 /nfs/dbraw/zinc/21/64/84/984216484.db2.gz PMBLOBKIJBYWDS-YPMHNXCESA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001578622164 984216490 /nfs/dbraw/zinc/21/64/90/984216490.db2.gz PMBLOBKIJBYWDS-YPMHNXCESA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](C)C(C)(C)C1 ZINC001578622164 984216493 /nfs/dbraw/zinc/21/64/93/984216493.db2.gz PMBLOBKIJBYWDS-YPMHNXCESA-N 1 3 228.380 1.325 20 0 BDADHO CC[N@H+](Cc1cc[nH]c(=O)c1)C1CCNCC1 ZINC001577734764 984684853 /nfs/dbraw/zinc/68/48/53/984684853.db2.gz UGLKHOSGDDOXLL-UHFFFAOYSA-N 1 3 235.331 1.361 20 0 BDADHO CC[N@@H+](Cc1cc[nH]c(=O)c1)C1CCNCC1 ZINC001577734764 984684867 /nfs/dbraw/zinc/68/48/67/984684867.db2.gz UGLKHOSGDDOXLL-UHFFFAOYSA-N 1 3 235.331 1.361 20 0 BDADHO CCN(Cc1cc[nH]c(=O)c1)C1CC[NH2+]CC1 ZINC001577734764 984684879 /nfs/dbraw/zinc/68/48/79/984684879.db2.gz UGLKHOSGDDOXLL-UHFFFAOYSA-N 1 3 235.331 1.361 20 0 BDADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccncc1)CC2 ZINC001275885612 984716706 /nfs/dbraw/zinc/71/67/06/984716706.db2.gz JQIXAJRPLDQWQS-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO C[N@H+]1CCC2(C1)CCN(Cc1ccncc1)CC2 ZINC001275885612 984716717 /nfs/dbraw/zinc/71/67/17/984716717.db2.gz JQIXAJRPLDQWQS-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO CCN1CCC[C@@H](N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC001577771079 984779882 /nfs/dbraw/zinc/77/98/82/984779882.db2.gz RLMXAONJPZUEKK-VXGBXAGGSA-N 1 3 225.380 1.058 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1cc[nH]c1)C2 ZINC001276103237 984814985 /nfs/dbraw/zinc/81/49/85/984814985.db2.gz GTKASMQPDCYARK-CQSZACIVSA-N 1 3 233.359 1.932 20 0 BDADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc[nH]c1)C2 ZINC001276103237 984814986 /nfs/dbraw/zinc/81/49/86/984814986.db2.gz GTKASMQPDCYARK-CQSZACIVSA-N 1 3 233.359 1.932 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCCN(CC)C1 ZINC001577887162 984815446 /nfs/dbraw/zinc/81/54/46/984815446.db2.gz PSQASCXIMGHYJI-NEPJUHHUSA-N 1 3 213.369 1.058 20 0 BDADHO [NH3+]C1CC(N[C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256792404 984840199 /nfs/dbraw/zinc/84/01/99/984840199.db2.gz JVVVHQPZGJWMQZ-SHWKFHJASA-N 1 3 246.354 1.986 20 0 BDADHO NC1CC([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256792404 984840200 /nfs/dbraw/zinc/84/02/00/984840200.db2.gz JVVVHQPZGJWMQZ-SHWKFHJASA-N 1 3 246.354 1.986 20 0 BDADHO CCO[C@@H](CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578076073 984843304 /nfs/dbraw/zinc/84/33/04/984843304.db2.gz ZPFOKTGHQYAATG-RDBSUJKOSA-N 1 3 238.375 1.343 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH3+])[C@]12CCCO2 ZINC001578149166 984857459 /nfs/dbraw/zinc/85/74/59/984857459.db2.gz WYYQTPXVJKZFHY-WUHRBBMRSA-N 1 3 242.363 1.040 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC001578161022 984864993 /nfs/dbraw/zinc/86/49/93/984864993.db2.gz IOSKBTZDDZYBLG-BJDJZHNGSA-N 1 3 224.348 1.413 20 0 BDADHO CCc1cccc(C[NH2+][C@@H]2CCNC[C@@H]2O)c1 ZINC001578267010 984910412 /nfs/dbraw/zinc/91/04/12/984910412.db2.gz YZAHQGHKRQPEAQ-KGLIPLIRSA-N 1 3 234.343 1.061 20 0 BDADHO CO[C@@H]1CCC[N@H+](C[C@@H](N)CC(F)F)CC1 ZINC000691984938 985108815 /nfs/dbraw/zinc/10/88/15/985108815.db2.gz HSVOUOHAPFBUJI-VHSXEESVSA-N 1 3 236.306 1.470 20 0 BDADHO CO[C@@H]1CCC[N@@H+](C[C@@H](N)CC(F)F)CC1 ZINC000691984938 985108831 /nfs/dbraw/zinc/10/88/31/985108831.db2.gz HSVOUOHAPFBUJI-VHSXEESVSA-N 1 3 236.306 1.470 20 0 BDADHO C[NH2+]C[C@H](O)CN1CCC[C@@H](CC(C)C)C1 ZINC001578653849 985276498 /nfs/dbraw/zinc/27/64/98/985276498.db2.gz FBKYTSHSFJFTEZ-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO COC(=O)[C@@]1(C)CCCN(CC(C)(C)C[NH3+])C1 ZINC001578779029 985340563 /nfs/dbraw/zinc/34/05/63/985340563.db2.gz XSTFNWCWMKXZKZ-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)[C@@]1(C)CCC[N@H+](CC(C)(C)CN)C1 ZINC001578779029 985340577 /nfs/dbraw/zinc/34/05/77/985340577.db2.gz XSTFNWCWMKXZKZ-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)[C@@]1(C)CCC[N@@H+](CC(C)(C)CN)C1 ZINC001578779029 985340593 /nfs/dbraw/zinc/34/05/93/985340593.db2.gz XSTFNWCWMKXZKZ-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001578790683 985359357 /nfs/dbraw/zinc/35/93/57/985359357.db2.gz VUCZEBMZFIUNKB-VSSNEEPJSA-N 1 3 240.347 1.044 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000688022584 985496685 /nfs/dbraw/zinc/49/66/85/985496685.db2.gz FIUQOVGXWBNFOW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000688022584 985496705 /nfs/dbraw/zinc/49/67/05/985496705.db2.gz FIUQOVGXWBNFOW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000688022584 985496733 /nfs/dbraw/zinc/49/67/33/985496733.db2.gz FIUQOVGXWBNFOW-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC001578913257 985500310 /nfs/dbraw/zinc/50/03/10/985500310.db2.gz SYHWBJZDAASVKP-UTUOFQBUSA-N 1 3 212.337 1.271 20 0 BDADHO CO[C@@H]1C[C@@H](NC(C)(C)C[NH3+])C12CCC2 ZINC001578936360 985540316 /nfs/dbraw/zinc/54/03/16/985540316.db2.gz RAKDUNYFBWLVLK-NXEZZACHSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000688053121 985543849 /nfs/dbraw/zinc/54/38/49/985543849.db2.gz MKVUHGXBWCVSCV-VOAKCMCISA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000688053121 985543874 /nfs/dbraw/zinc/54/38/74/985543874.db2.gz MKVUHGXBWCVSCV-VOAKCMCISA-N 1 3 224.348 1.238 20 0 BDADHO NCc1cc(/C=C/C2CC[NH2+]CC2)ccn1 ZINC001243896458 985583079 /nfs/dbraw/zinc/58/30/79/985583079.db2.gz OIKWTRIKWGWVDM-OWOJBTEDSA-N 1 3 217.316 1.553 20 0 BDADHO COC[C@H](CN[C@H]1CC[C@@H](C)[NH2+]C1)C(C)C ZINC001578961775 985590406 /nfs/dbraw/zinc/59/04/06/985590406.db2.gz SGLCQKZDAOTLPA-AGIUHOORSA-N 1 3 228.380 1.635 20 0 BDADHO COCC[C@H]([NH3+])CNCCc1ccc(C)cc1 ZINC001579003689 985664882 /nfs/dbraw/zinc/66/48/82/985664882.db2.gz LHTDLEKIWDIJKR-AWEZNQCLSA-N 1 3 236.359 1.491 20 0 BDADHO COCC[C@@H]([NH3+])CN[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC001579004388 985669837 /nfs/dbraw/zinc/66/98/37/985669837.db2.gz TWUOUJHGQRSUQX-UTUOFQBUSA-N 1 3 244.379 1.286 20 0 BDADHO CCOC(=O)CCN1CCCC[C@H](C[NH3+])C1 ZINC001206606367 985897375 /nfs/dbraw/zinc/89/73/75/985897375.db2.gz MATZPDFJDWHZKJ-LLVKDONJSA-N 1 3 228.336 1.000 20 0 BDADHO NC[C@@H]1CCCC[N@H+](CCCn2cccn2)C1 ZINC001206606366 985898899 /nfs/dbraw/zinc/89/88/99/985898899.db2.gz LWISGAYNSLNYOL-ZDUSSCGKSA-N 1 3 236.363 1.334 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](CCCn2cccn2)C1 ZINC001206606366 985898906 /nfs/dbraw/zinc/89/89/06/985898906.db2.gz LWISGAYNSLNYOL-ZDUSSCGKSA-N 1 3 236.363 1.334 20 0 BDADHO [NH3+]C[C@@H]1CCCCN(Cc2ccc[nH]2)C1 ZINC001206606751 985938318 /nfs/dbraw/zinc/93/83/18/985938318.db2.gz RPRYUTKQQDYTGJ-NSHDSACASA-N 1 3 207.321 1.576 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C[C@@H]1CCCC[C@@H]1O ZINC001579454712 985949908 /nfs/dbraw/zinc/94/99/08/985949908.db2.gz XMGIJTUYPUXTQP-RFGFWPKPSA-N 1 3 240.391 1.325 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1Cc2cccc(O)c2C1 ZINC001579459680 985956595 /nfs/dbraw/zinc/95/65/95/985956595.db2.gz PXJDOKMINKZNRA-KGYLQXTDSA-N 1 3 246.354 1.305 20 0 BDADHO C[C@H]1CN(CCN(C)Cc2ccccc2)CC[NH2+]1 ZINC001579490403 986015421 /nfs/dbraw/zinc/01/54/21/986015421.db2.gz QYCDBBBCIIFYSY-AWEZNQCLSA-N 1 3 247.386 1.412 20 0 BDADHO Cc1ccc(C[C@@H](C)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC001579684592 986171668 /nfs/dbraw/zinc/17/16/68/986171668.db2.gz MERFMGHSVMDQDU-BPLDGKMQSA-N 1 3 248.370 1.096 20 0 BDADHO Cc1cccc(CCC[N@H+](CCN)CCO)c1 ZINC001579759718 986205705 /nfs/dbraw/zinc/20/57/05/986205705.db2.gz UDWOBSRGWLZRKZ-UHFFFAOYSA-N 1 3 236.359 1.181 20 0 BDADHO Cc1cccc(CCC[N@@H+](CCN)CCO)c1 ZINC001579759718 986205721 /nfs/dbraw/zinc/20/57/21/986205721.db2.gz UDWOBSRGWLZRKZ-UHFFFAOYSA-N 1 3 236.359 1.181 20 0 BDADHO C[C@]1(CN[C@H]2C[C@@H]([NH3+])C23CCC3)CC1(F)F ZINC000689185255 986380955 /nfs/dbraw/zinc/38/09/55/986380955.db2.gz KACWESYZZGVOKJ-KXUCPTDWSA-N 1 3 230.302 1.891 20 0 BDADHO C([NH2+]C[C@H]1CN2CCC1CC2)[C@@H]1CCSC1 ZINC001462634068 986465376 /nfs/dbraw/zinc/46/53/76/986465376.db2.gz GWLIHICNOJGNPI-AAEUAGOBSA-N 1 3 240.416 1.671 20 0 BDADHO [NH3+][C@@H](CN[C@H](CO)CC1CCC1)CC(F)F ZINC001580133016 986597676 /nfs/dbraw/zinc/59/76/76/986597676.db2.gz SRXBCDUUERUEJS-ZJUUUORDSA-N 1 3 236.306 1.110 20 0 BDADHO [NH3+][C@H](CN[C@H](CO)CC1CCC1)CC(F)F ZINC001580133014 986603963 /nfs/dbraw/zinc/60/39/63/986603963.db2.gz SRXBCDUUERUEJS-UWVGGRQHSA-N 1 3 236.306 1.110 20 0 BDADHO CN1CCC[C@@H]([NH+]2CC3(CSC3)C2)CC1 ZINC001254529028 986677594 /nfs/dbraw/zinc/67/75/94/986677594.db2.gz BYKBTYCKCIFRQM-LLVKDONJSA-N 1 3 226.389 1.520 20 0 BDADHO [NH3+]CC1(CNC[C@]23OCCC[C@H]2C3(F)F)CC1 ZINC001580243297 986693239 /nfs/dbraw/zinc/69/32/39/986693239.db2.gz AYHXOOGMFRJRJV-KOLCDFICSA-N 1 3 246.301 1.129 20 0 BDADHO NCC1(C[NH2+]CC2(CO)CCCC2)CCC1 ZINC001580244438 986696613 /nfs/dbraw/zinc/69/66/13/986696613.db2.gz XBEKVOAGXNGHKM-UHFFFAOYSA-N 1 3 226.364 1.258 20 0 BDADHO [NH3+]CC1(CN2CC3(C2)CCCC3)CCC1 ZINC001580243499 986698859 /nfs/dbraw/zinc/69/88/59/986698859.db2.gz IUGOSIWCEHYBTF-UHFFFAOYSA-N 1 3 208.349 1.991 20 0 BDADHO NC[C@@]12C[N@H+](C[C@@H](O)C3CC3)C[C@@H]1CCCC2 ZINC001580256019 986710492 /nfs/dbraw/zinc/71/04/92/986710492.db2.gz PFMIULJBGMVPTH-MJBXVCDLSA-N 1 3 238.375 1.208 20 0 BDADHO NC[C@@]12C[N@@H+](C[C@@H](O)C3CC3)C[C@@H]1CCCC2 ZINC001580256019 986710503 /nfs/dbraw/zinc/71/05/03/986710503.db2.gz PFMIULJBGMVPTH-MJBXVCDLSA-N 1 3 238.375 1.208 20 0 BDADHO C/C=C(\NC=[NH2+])C1=CC[C@H](N2CCOCC2)CC1 ZINC001245416824 986847183 /nfs/dbraw/zinc/84/71/83/986847183.db2.gz AVFVRCKHHVNDAT-HJCOKEFQSA-N 1 3 249.358 1.898 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC001580430697 986847181 /nfs/dbraw/zinc/84/71/81/986847181.db2.gz VTGMMQFSHSQFNP-FNCVBFRFSA-N 1 3 238.253 1.176 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC001580430699 986847381 /nfs/dbraw/zinc/84/73/81/986847381.db2.gz VTGMMQFSHSQFNP-JBDRJPRFSA-N 1 3 238.253 1.176 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC001580430522 986847409 /nfs/dbraw/zinc/84/74/09/986847409.db2.gz PTAMOPHWWJEIPX-JHJVBQTASA-N 1 3 231.343 1.408 20 0 BDADHO [NH3+][C@H]1C[C@H](NCc2ccc3nc[nH]c3c2)C1 ZINC001580431567 986849815 /nfs/dbraw/zinc/84/98/15/986849815.db2.gz MCTOVVMRLLXQTQ-MGCOHNPYSA-N 1 3 216.288 1.142 20 0 BDADHO C[N@@H+]1CC[C@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255437692 986955828 /nfs/dbraw/zinc/95/58/28/986955828.db2.gz DOYASAGMJSTNHG-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO C[N@H+]1CC[C@H](N2CCN(C(C)(C)C)CC2)C1 ZINC001255437692 986955842 /nfs/dbraw/zinc/95/58/42/986955842.db2.gz DOYASAGMJSTNHG-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CC(C)(C)OC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245972188 987240067 /nfs/dbraw/zinc/24/00/67/987240067.db2.gz CJKWZTXKFWDFQD-NSHDSACASA-N 1 3 244.379 1.024 20 0 BDADHO CCCC[C@@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC001245980230 987257118 /nfs/dbraw/zinc/25/71/18/987257118.db2.gz HLMDUTSNNYKQNR-NWDGAFQWSA-N 1 3 214.353 1.127 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001245999632 987277376 /nfs/dbraw/zinc/27/73/76/987277376.db2.gz BGEMCXJPSULUQZ-RYUDHWBXSA-N 1 3 226.295 1.186 20 0 BDADHO C[C@@]1([NH3+])CCCN(C[C@@H](O)c2ccccc2)CC1 ZINC001246022921 987313885 /nfs/dbraw/zinc/31/38/85/987313885.db2.gz QYFVLABNFKUADZ-HUUCEWRRSA-N 1 3 248.370 1.923 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCC2SCCS2)C1 ZINC000693776858 987317323 /nfs/dbraw/zinc/31/73/23/987317323.db2.gz KSGYPEGHWXIEOE-SNVBAGLBSA-N 1 3 246.445 1.724 20 0 BDADHO CCN(C[C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000697033792 987346755 /nfs/dbraw/zinc/34/67/55/987346755.db2.gz JEGUNDBFYKUQCH-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246086500 987387637 /nfs/dbraw/zinc/38/76/37/987387637.db2.gz CODZTIGSSQLJFC-AAEUAGOBSA-N 1 3 248.374 1.425 20 0 BDADHO C[C@H]1OCC[C@H]1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246109921 987441141 /nfs/dbraw/zinc/44/11/41/987441141.db2.gz LDXPCXBBXPGRGY-WISYIIOYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)C2)CCN1 ZINC001246112441 987451423 /nfs/dbraw/zinc/45/14/23/987451423.db2.gz UHCMVHZKZVOGRJ-ZRUFSTJUSA-N 1 3 200.301 1.607 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N[C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246131498 987483976 /nfs/dbraw/zinc/48/39/76/987483976.db2.gz ZCXFLSMYKWROBM-YFKTTZPYSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)OC(C)(C)C)CN1 ZINC001246155765 987515008 /nfs/dbraw/zinc/51/50/08/987515008.db2.gz XMKFBCXHYSYGRS-GHMZBOCLSA-N 1 3 242.363 1.448 20 0 BDADHO Cc1cc(CN)nn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246172079 987540164 /nfs/dbraw/zinc/54/01/64/987540164.db2.gz BODBVZHELGBHQL-DHHPTOIESA-N 1 3 220.320 1.106 20 0 BDADHO c1cc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001246173527 987540347 /nfs/dbraw/zinc/54/03/47/987540347.db2.gz APWWZAWSBMNLSC-YIONKMFJSA-N 1 3 245.370 1.887 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CCN(C)c2ccccc2)CN1 ZINC001246177082 987548451 /nfs/dbraw/zinc/54/84/51/987548451.db2.gz SPDVXLYQZZFCET-KBPBESRZSA-N 1 3 247.386 1.853 20 0 BDADHO CCOC(=O)C1(CN[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246188514 987570141 /nfs/dbraw/zinc/57/01/41/987570141.db2.gz JVUWMHQPYURJSY-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)C1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246188514 987570157 /nfs/dbraw/zinc/57/01/57/987570157.db2.gz JVUWMHQPYURJSY-WDEREUQCSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H]1C[C@H](NCC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197207 987591730 /nfs/dbraw/zinc/59/17/30/987591730.db2.gz ZJCIKRYAXOSANI-VXGBXAGGSA-N 1 3 248.374 1.484 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@H]2C[C@H](F)C2)C[NH2+]1 ZINC001246217926 987616729 /nfs/dbraw/zinc/61/67/29/987616729.db2.gz NLQOQHHKYHBQKL-GWOFURMSSA-N 1 3 200.301 1.465 20 0 BDADHO CSCC[C@@H]([NH2+]C1CCNCC1)C(C)(C)O ZINC001246217929 987617293 /nfs/dbraw/zinc/61/72/93/987617293.db2.gz NQQTZKHZLWSCFS-LLVKDONJSA-N 1 3 246.420 1.221 20 0 BDADHO c1cncc(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246231286 987628835 /nfs/dbraw/zinc/62/88/35/987628835.db2.gz DIKMWMOCOWEPNS-YIONKMFJSA-N 1 3 245.370 1.887 20 0 BDADHO C[C@H](Cc1cnccn1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246236141 987635931 /nfs/dbraw/zinc/63/59/31/987635931.db2.gz JYSIHPBMWOYUAJ-FKJOKYEKSA-N 1 3 246.358 1.280 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C23CCC(O)(CC2)CC3)CCN1 ZINC001246262179 987656280 /nfs/dbraw/zinc/65/62/80/987656280.db2.gz APUMJRQIOARDFQ-KBHBFKLGSA-N 1 3 238.375 1.554 20 0 BDADHO COc1ccc(CCN[C@@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246274670 987669459 /nfs/dbraw/zinc/66/94/59/987669459.db2.gz ZPYOSCSOJXVKAZ-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO C[NH2+]CC[C@@H](C)NC[C@@H]1Cc2ccccc2CN1 ZINC001246277435 987672504 /nfs/dbraw/zinc/67/25/04/987672504.db2.gz JEHQGEAHYMMWCV-DOMZBBRYSA-N 1 3 247.386 1.289 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1CCc2ncsc2C1 ZINC001246300086 987698769 /nfs/dbraw/zinc/69/87/69/987698769.db2.gz LMYUUHZHRXUGIR-DTWKUNHWSA-N 1 3 225.361 1.327 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC[C@H]2C)CCN1 ZINC001246304051 987701480 /nfs/dbraw/zinc/70/14/80/987701480.db2.gz GKTJIWQDNNDPPJ-WISYIIOYSA-N 1 3 212.337 1.142 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H]1Cc2ccc(OC)cc2C1 ZINC001246312686 987715422 /nfs/dbraw/zinc/71/54/22/987715422.db2.gz GYGTZZAIGQNBNU-CHWSQXEVSA-N 1 3 234.343 1.489 20 0 BDADHO CC(=O)CC(C)(C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246329555 987735468 /nfs/dbraw/zinc/73/54/68/987735468.db2.gz QYAPDORUTBXFME-FOSCPWQOSA-N 1 3 224.348 1.617 20 0 BDADHO CC(=O)NCCCCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246337623 987745177 /nfs/dbraw/zinc/74/51/77/987745177.db2.gz WUSOIHVNMOCRND-YPMHNXCESA-N 1 3 241.379 1.023 20 0 BDADHO COC1CCC(CCN[C@H]2CCC[NH2+]C2)CC1 ZINC001246337483 987745832 /nfs/dbraw/zinc/74/58/32/987745832.db2.gz VKYVZPYKAGKTDL-MOKVOYLWSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC34CNC4)C[C@@H]21 ZINC001246445512 987798549 /nfs/dbraw/zinc/79/85/49/987798549.db2.gz OTJHOJDTJHGIGB-VLEAKVRGSA-N 1 3 206.333 1.373 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N[C@H]3CC34C[NH2+]C4)C[C@@H]21 ZINC001246445512 987798555 /nfs/dbraw/zinc/79/85/55/987798555.db2.gz OTJHOJDTJHGIGB-VLEAKVRGSA-N 1 3 206.333 1.373 20 0 BDADHO Fc1cccnc1C1(C[NH2+][C@H]2CCCNC2)CC1 ZINC001246440425 987800470 /nfs/dbraw/zinc/80/04/70/987800470.db2.gz TUGRHHHPQZDVDZ-NSHDSACASA-N 1 3 249.333 1.594 20 0 BDADHO CSC(C)(C)C[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246444815 987802880 /nfs/dbraw/zinc/80/28/80/987802880.db2.gz LTWKWXONHNSMMZ-ZJUUUORDSA-N 1 3 228.405 1.858 20 0 BDADHO CSC(C)(C)C[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246444815 987802886 /nfs/dbraw/zinc/80/28/86/987802886.db2.gz LTWKWXONHNSMMZ-ZJUUUORDSA-N 1 3 228.405 1.858 20 0 BDADHO Fc1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)C2 ZINC001246452277 987809481 /nfs/dbraw/zinc/80/94/81/987809481.db2.gz JNTLIENOWPOSCY-CQSZACIVSA-N 1 3 234.318 1.635 20 0 BDADHO Fc1ccc2c(c1)C[C@H](NC1CC[NH2+]CC1)C2 ZINC001246452277 987809485 /nfs/dbraw/zinc/80/94/85/987809485.db2.gz JNTLIENOWPOSCY-CQSZACIVSA-N 1 3 234.318 1.635 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001474759638 987818284 /nfs/dbraw/zinc/81/82/84/987818284.db2.gz RYCIKIKYRNLBCB-CRWXNKLISA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@]2(C)CC[C@H](O)CC2)CCN1 ZINC001246463600 987822526 /nfs/dbraw/zinc/82/25/26/987822526.db2.gz WHHQZHCCVORYSN-CYDGBPFRSA-N 1 3 226.364 1.410 20 0 BDADHO c1ccc2c(c1)NC[C@H]2C[NH2+]C1CCNCC1 ZINC001246475044 987831041 /nfs/dbraw/zinc/83/10/41/987831041.db2.gz QWBYAMWRICKKIY-LLVKDONJSA-N 1 3 231.343 1.537 20 0 BDADHO c1ccc2c(c1)NC[C@H]2CNC1CC[NH2+]CC1 ZINC001246475044 987831048 /nfs/dbraw/zinc/83/10/48/987831048.db2.gz QWBYAMWRICKKIY-LLVKDONJSA-N 1 3 231.343 1.537 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478365 987836844 /nfs/dbraw/zinc/83/68/44/987836844.db2.gz OFTGFVJDALNMAA-BNOWGMLFSA-N 1 3 233.359 1.872 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CCCNCC1 ZINC001246524364 987875471 /nfs/dbraw/zinc/87/54/71/987875471.db2.gz ITDBGDFKXKRRJR-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCCNCC1 ZINC001246524364 987875477 /nfs/dbraw/zinc/87/54/77/987875477.db2.gz ITDBGDFKXKRRJR-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCCC[C@@H]1C[C@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246526225 987879308 /nfs/dbraw/zinc/87/93/08/987879308.db2.gz NZQQLHGNIDZUOT-LPWJVIDDSA-N 1 3 243.370 1.278 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246532648 987889560 /nfs/dbraw/zinc/88/95/60/987889560.db2.gz XKPUHCOXOSYPIG-WCQYABFASA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246532648 987889564 /nfs/dbraw/zinc/88/95/64/987889564.db2.gz XKPUHCOXOSYPIG-WCQYABFASA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246532649 987891992 /nfs/dbraw/zinc/89/19/92/987891992.db2.gz XKPUHCOXOSYPIG-YPMHNXCESA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246532649 987891997 /nfs/dbraw/zinc/89/19/97/987891997.db2.gz XKPUHCOXOSYPIG-YPMHNXCESA-N 1 3 242.363 1.531 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CCC[C@H](N)CC1 ZINC001246541577 987907854 /nfs/dbraw/zinc/90/78/54/987907854.db2.gz MFGXFHMFEOQJJX-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CCC[C@H](N)CC1 ZINC001246541577 987907860 /nfs/dbraw/zinc/90/78/60/987907860.db2.gz MFGXFHMFEOQJJX-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246541579 987910284 /nfs/dbraw/zinc/91/02/84/987910284.db2.gz MFGXFHMFEOQJJX-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CCC[C@@H](N)CC1 ZINC001246541579 987910292 /nfs/dbraw/zinc/91/02/92/987910292.db2.gz MFGXFHMFEOQJJX-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246541081 987910677 /nfs/dbraw/zinc/91/06/77/987910677.db2.gz LMYQWBAKRUCXRZ-RYUDHWBXSA-N 1 3 212.337 1.369 20 0 BDADHO N[C@H]1CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246541081 987910685 /nfs/dbraw/zinc/91/06/85/987910685.db2.gz LMYQWBAKRUCXRZ-RYUDHWBXSA-N 1 3 212.337 1.369 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246548393 987936110 /nfs/dbraw/zinc/93/61/10/987936110.db2.gz TVLOEZJUKZTTEZ-WOPDTQHZSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246548393 987936119 /nfs/dbraw/zinc/93/61/19/987936119.db2.gz TVLOEZJUKZTTEZ-WOPDTQHZSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H](Cc1ccco1)[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246550942 987945391 /nfs/dbraw/zinc/94/53/91/987945391.db2.gz RHTNOCNNDGLHST-HOSYDEDBSA-N 1 3 208.305 1.632 20 0 BDADHO C[C@@H](Cc1ccco1)[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246550942 987945412 /nfs/dbraw/zinc/94/54/12/987945412.db2.gz RHTNOCNNDGLHST-HOSYDEDBSA-N 1 3 208.305 1.632 20 0 BDADHO CCCCC[C@H](CC)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557771 987974982 /nfs/dbraw/zinc/97/49/82/987974982.db2.gz HJXHXFVAAJOTLC-YNEHKIRRSA-N 1 3 228.380 1.739 20 0 BDADHO CCCCC[C@H](CC)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557771 987974991 /nfs/dbraw/zinc/97/49/91/987974991.db2.gz HJXHXFVAAJOTLC-YNEHKIRRSA-N 1 3 228.380 1.739 20 0 BDADHO CC1(C)CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246578862 988100917 /nfs/dbraw/zinc/10/09/17/988100917.db2.gz IADOLAGIJZQHPL-JQWIXIFHSA-N 1 3 226.364 1.207 20 0 BDADHO CC1(C)CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246578862 988100927 /nfs/dbraw/zinc/10/09/27/988100927.db2.gz IADOLAGIJZQHPL-JQWIXIFHSA-N 1 3 226.364 1.207 20 0 BDADHO CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582295 988109810 /nfs/dbraw/zinc/10/98/10/988109810.db2.gz WITBRLAOQYTDDT-BFHYXJOUSA-N 1 3 242.407 1.843 20 0 BDADHO CCCC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582295 988109819 /nfs/dbraw/zinc/10/98/19/988109819.db2.gz WITBRLAOQYTDDT-BFHYXJOUSA-N 1 3 242.407 1.843 20 0 BDADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582766 988120514 /nfs/dbraw/zinc/12/05/14/988120514.db2.gz HMMUSGYRGBYLFM-RVMXOQNASA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@H](C[C@@H](C)CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582766 988120523 /nfs/dbraw/zinc/12/05/23/988120523.db2.gz HMMUSGYRGBYLFM-RVMXOQNASA-N 1 3 228.380 1.453 20 0 BDADHO CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583659 988121386 /nfs/dbraw/zinc/12/13/86/988121386.db2.gz KPRXBIDGIPROGO-YIYPIFLZSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583659 988121393 /nfs/dbraw/zinc/12/13/93/988121393.db2.gz KPRXBIDGIPROGO-YIYPIFLZSA-N 1 3 242.407 1.843 20 0 BDADHO CCCCC[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585287 988139042 /nfs/dbraw/zinc/13/90/42/988139042.db2.gz NHCKIKKIRRWEGH-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246585287 988139058 /nfs/dbraw/zinc/13/90/58/988139058.db2.gz NHCKIKKIRRWEGH-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@](F)(CO)CC2)CC[NH2+]1 ZINC001246587708 988144360 /nfs/dbraw/zinc/14/43/60/988144360.db2.gz IMNLFICENMEXTP-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@](F)(CO)CC2)CCN1 ZINC001246587708 988144367 /nfs/dbraw/zinc/14/43/67/988144367.db2.gz IMNLFICENMEXTP-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@](F)(CO)CC2)CCN1 ZINC001246587708 988144374 /nfs/dbraw/zinc/14/43/74/988144374.db2.gz IMNLFICENMEXTP-JHJVBQTASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@H](Cc1ccco1)N1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589048 988158069 /nfs/dbraw/zinc/15/80/69/988158069.db2.gz QZEGGBTUZSQYGI-RTXFEEFZSA-N 1 3 240.322 1.972 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)CCN1 ZINC001246591691 988178894 /nfs/dbraw/zinc/17/88/94/988178894.db2.gz NNZMVYXBJYZYJS-DGAVXFQQSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(O)[C@@H](C)C2)CCN1 ZINC001246591691 988178909 /nfs/dbraw/zinc/17/89/09/988178909.db2.gz NNZMVYXBJYZYJS-DGAVXFQQSA-N 1 3 240.391 1.610 20 0 BDADHO CC1(C[NH3+])CN(C2CCC3(CC3)CC2)C1 ZINC001246598895 988194033 /nfs/dbraw/zinc/19/40/33/988194033.db2.gz PHWMRIFGHAICIQ-UHFFFAOYSA-N 1 3 208.349 1.990 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630167 988305862 /nfs/dbraw/zinc/30/58/62/988305862.db2.gz HICXIBDCTQHPCA-ZNSHCXBVSA-N 1 3 230.302 1.714 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CN1 ZINC001246630167 988305878 /nfs/dbraw/zinc/30/58/78/988305878.db2.gz HICXIBDCTQHPCA-ZNSHCXBVSA-N 1 3 230.302 1.714 20 0 BDADHO CC1(C)C[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)CCO1 ZINC001246636981 988327695 /nfs/dbraw/zinc/32/76/95/988327695.db2.gz HZZBRRMGGWLIFX-QJPTWQEYSA-N 1 3 224.348 1.380 20 0 BDADHO C1OCC12CCCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246649412 988371824 /nfs/dbraw/zinc/37/18/24/988371824.db2.gz YVSSGIIWDDALHG-FUNVUKJBSA-N 1 3 236.359 1.382 20 0 BDADHO CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)N(C)C ZINC001497486645 988385211 /nfs/dbraw/zinc/38/52/11/988385211.db2.gz RGOYFFIZGRBQTE-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CCCCN1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246787483 988467643 /nfs/dbraw/zinc/46/76/43/988467643.db2.gz DSHVDRREUZQUDE-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@@H]1CCCNC1 ZINC001246812329 988497551 /nfs/dbraw/zinc/49/75/51/988497551.db2.gz YUIFUENSWDECDY-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@@H]1CCCNC1 ZINC001246812329 988497553 /nfs/dbraw/zinc/49/75/53/988497553.db2.gz YUIFUENSWDECDY-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO CCCC[C@H]1C[C@@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246820389 988512511 /nfs/dbraw/zinc/51/25/11/988512511.db2.gz NZQQLHGNIDZUOT-ZDEQEGDKSA-N 1 3 243.370 1.278 20 0 BDADHO c1ccc([C@@H]2CN([C@H]3CCC[NH2+]C3)CCN2)cc1 ZINC001246827968 988517650 /nfs/dbraw/zinc/51/76/50/988517650.db2.gz PBTQHMGLNJYFCU-GJZGRUSLSA-N 1 3 245.370 1.385 20 0 BDADHO CCOCC1CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246844023 988558704 /nfs/dbraw/zinc/55/87/04/988558704.db2.gz FRMOVPZUIRVDIU-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CCOCC1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246844023 988558714 /nfs/dbraw/zinc/55/87/14/988558714.db2.gz FRMOVPZUIRVDIU-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246852659 988568301 /nfs/dbraw/zinc/56/83/01/988568301.db2.gz JIGNGHMGFMTYAX-YNEHKIRRSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001246852659 988568308 /nfs/dbraw/zinc/56/83/08/988568308.db2.gz JIGNGHMGFMTYAX-YNEHKIRRSA-N 1 3 226.364 1.613 20 0 BDADHO C[C@H](Cc1cccnc1)[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246854952 988580427 /nfs/dbraw/zinc/58/04/27/988580427.db2.gz RNDDUGTVWUFNSA-XBFCOCLRSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1cccnc1)[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246854952 988580444 /nfs/dbraw/zinc/58/04/44/988580444.db2.gz RNDDUGTVWUFNSA-XBFCOCLRSA-N 1 3 231.343 1.436 20 0 BDADHO C[NH2+]CC[C@@H](C)N1CCNC2=CCCC[C@@H]21 ZINC001246997222 988828168 /nfs/dbraw/zinc/82/81/68/988828168.db2.gz SCDJQIFPRBABIA-YPMHNXCESA-N 1 3 223.364 1.326 20 0 BDADHO CCN1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC001246996498 988828017 /nfs/dbraw/zinc/82/80/17/988828017.db2.gz ORGSNYDINBFDFJ-HABKJSAYSA-N 1 3 237.391 1.295 20 0 BDADHO C[C@@H]1C[C@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246996749 988828229 /nfs/dbraw/zinc/82/82/29/988828229.db2.gz PBGBFFFZAKGMPQ-YRGRVCCFSA-N 1 3 235.375 1.469 20 0 BDADHO C[NH2+]CC[C@@H](C)N1CCNC2=CCCC[C@H]21 ZINC001246997220 988829559 /nfs/dbraw/zinc/82/95/59/988829559.db2.gz SCDJQIFPRBABIA-DGCLKSJQSA-N 1 3 223.364 1.326 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC/C=C/C1CC1 ZINC001325743601 989244071 /nfs/dbraw/zinc/24/40/71/989244071.db2.gz PPSRGMKMRKJLLN-KTTDLOKESA-N 1 3 208.349 1.930 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[C@@H](F)C1 ZINC001119629801 989262975 /nfs/dbraw/zinc/26/29/75/989262975.db2.gz ATMMUILNTYNFRW-USZNOCQGSA-N 1 3 214.328 1.997 20 0 BDADHO CN1C[C@@H]2C[N@@H+](CCCC(F)(F)F)C[C@@H]2C1 ZINC001119959301 989511105 /nfs/dbraw/zinc/51/11/05/989511105.db2.gz IYTTXOKIULLNIL-AOOOYVTPSA-N 1 3 236.281 1.822 20 0 BDADHO CN1C[C@@H]2C[N@H+](CCCC(F)(F)F)C[C@@H]2C1 ZINC001119959301 989511113 /nfs/dbraw/zinc/51/11/13/989511113.db2.gz IYTTXOKIULLNIL-AOOOYVTPSA-N 1 3 236.281 1.822 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3c[nH]cn3)C[C@@H]2C1 ZINC001120072146 989586857 /nfs/dbraw/zinc/58/68/57/989586857.db2.gz RSUBSCMTIFAMAF-SGMGOOAPSA-N 1 3 248.374 1.572 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC001521540642 989737063 /nfs/dbraw/zinc/73/70/63/989737063.db2.gz JJGIIIYLTKWJLQ-SDDRHHMPSA-N 1 3 243.395 1.384 20 0 BDADHO [NH3+]C1CC(CC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC001122023887 990194387 /nfs/dbraw/zinc/19/43/87/990194387.db2.gz RHAQLWPWBISTDM-UHFFFAOYSA-N 1 3 245.326 1.356 20 0 BDADHO CSC(C)(C)C[C@H](C)NC1(C[NH3+])CC1 ZINC001258328442 991252235 /nfs/dbraw/zinc/25/22/35/991252235.db2.gz BPTJTPRCZDNQQE-VIFPVBQESA-N 1 3 216.394 1.988 20 0 BDADHO CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001317396082 991497932 /nfs/dbraw/zinc/49/79/32/991497932.db2.gz CCRTUDUPYSBZGK-RYUDHWBXSA-N 1 3 243.395 1.077 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@](C)(CO)C2)CC1 ZINC001258772517 991741824 /nfs/dbraw/zinc/74/18/24/991741824.db2.gz RHFWLLGHOUPLDA-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001567025550 991911452 /nfs/dbraw/zinc/91/14/52/991911452.db2.gz YKKKTHLMUFBQEL-RYUDHWBXSA-N 1 3 243.395 1.075 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]C(C)C)N(C)C ZINC001320606424 992271227 /nfs/dbraw/zinc/27/12/27/992271227.db2.gz GLHANLGRHPSRFP-NEPJUHHUSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccccc1N1CCCC1 ZINC001261370903 992278514 /nfs/dbraw/zinc/27/85/14/992278514.db2.gz YRBJDJRRDOCXKQ-CYBMUJFWSA-N 1 3 247.386 1.971 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001261515287 992362847 /nfs/dbraw/zinc/36/28/47/992362847.db2.gz BORFXDWHWWVHNN-RDBSUJKOSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001261515287 992362850 /nfs/dbraw/zinc/36/28/50/992362850.db2.gz BORFXDWHWWVHNN-RDBSUJKOSA-N 1 3 240.391 1.469 20 0 BDADHO C(C1=NOCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001574800523 992915050 /nfs/dbraw/zinc/91/50/50/992915050.db2.gz JFABOBRCANADRZ-ZDUSSCGKSA-N 1 3 237.347 1.227 20 0 BDADHO C([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@H]1CCCCCN1 ZINC001574801595 992915079 /nfs/dbraw/zinc/91/50/79/992915079.db2.gz SHWFCJCQAAKQQF-FVCCEPFGSA-N 1 3 224.348 1.143 20 0 BDADHO CC(C)(C)[C@@H](CN)[NH2+]Cc1cccc(F)c1N ZINC001575109075 992988418 /nfs/dbraw/zinc/98/84/18/992988418.db2.gz VNEXYJCUTPTXAW-LLVKDONJSA-N 1 3 239.338 1.871 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC001575379837 993031156 /nfs/dbraw/zinc/03/11/56/993031156.db2.gz MDTVZZSFQRIWTP-NXEZZACHSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)[C@@H](O)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC001575473641 993054662 /nfs/dbraw/zinc/05/46/62/993054662.db2.gz WAIREJQJSFVWTP-UTUOFQBUSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](CCCO)C[NH2+]CC1(CN)CCC1 ZINC001575952045 993137021 /nfs/dbraw/zinc/13/70/21/993137021.db2.gz BJWYLLIBEKQZCG-LLVKDONJSA-N 1 3 214.353 1.114 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@@H](CO)CC1CCC1 ZINC001576383458 993291858 /nfs/dbraw/zinc/29/18/58/993291858.db2.gz OUDVGUDUWJELAW-IJLUTSLNSA-N 1 3 226.364 1.253 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CO1 ZINC001576622337 993374326 /nfs/dbraw/zinc/37/43/26/993374326.db2.gz CRMPVCDHGYMYGZ-FDYHWXHSSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC001576623385 993374354 /nfs/dbraw/zinc/37/43/54/993374354.db2.gz KQBDHXUECULBAZ-KNZXXDILSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@@H]1CCCC[C@H]1CN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001576689650 993395681 /nfs/dbraw/zinc/39/56/81/993395681.db2.gz DSEBCOGKLPZIHM-BJJPWKGXSA-N 1 3 222.376 1.962 20 0 BDADHO CC1CC[NH+](CCN2CC[C@@H](F)[C@H](N)C2)CC1 ZINC001576731497 993408893 /nfs/dbraw/zinc/40/88/93/993408893.db2.gz KBCNZODSJANRNW-CHWSQXEVSA-N 1 3 243.370 1.089 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C[C@H]1O ZINC001576729710 993409790 /nfs/dbraw/zinc/40/97/90/993409790.db2.gz WOOFAFUXVZMJER-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]1CCN(C[C@]2(O)CC[NH2+]C2)CC1(C)C ZINC001576729687 993410579 /nfs/dbraw/zinc/41/05/79/993410579.db2.gz WCTPPPJWXGEMAD-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@H](C)[C@H](CNC(C)(C)C[NH3+])OC ZINC001576972044 993477072 /nfs/dbraw/zinc/47/70/72/993477072.db2.gz QRFPYANLDRJTTJ-UWVGGRQHSA-N 1 3 202.342 1.374 20 0 BDADHO CCC(CC)(C[NH3+])NC[C@H]1COC(C)(C)O1 ZINC001577059563 993489225 /nfs/dbraw/zinc/48/92/25/993489225.db2.gz QBOJLRGAMPGVQG-JTQLQIEISA-N 1 3 230.352 1.245 20 0 BDADHO CC[C@H](CNC1CC([NH3+])C1)C(=O)OC(C)(C)C ZINC001577089835 993498364 /nfs/dbraw/zinc/49/83/64/993498364.db2.gz NKJKOCYTVCYIQB-KPPDAEKUSA-N 1 3 242.363 1.434 20 0 BDADHO CC[C@@H](CSC)NC[C@H]([NH3+])CCOC ZINC001577092848 993500365 /nfs/dbraw/zinc/50/03/65/993500365.db2.gz JIZYJLLLYCNXJV-ZJUUUORDSA-N 1 3 220.382 1.081 20 0 BDADHO CCN1CCC([NH2+]CCn2ccnc2C)CC1 ZINC000384106835 993545034 /nfs/dbraw/zinc/54/50/34/993545034.db2.gz CHAJWNVZVPSUBH-UHFFFAOYSA-N 1 3 236.363 1.265 20 0 BDADHO CC[C@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC001577241212 993557816 /nfs/dbraw/zinc/55/78/16/993557816.db2.gz ROFRVTXYAMURML-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1CCCNC1 ZINC001577241212 993557827 /nfs/dbraw/zinc/55/78/27/993557827.db2.gz ROFRVTXYAMURML-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@H]1CN(Cc2cc[nH]c(=O)c2)CC[C@@H]1[NH3+] ZINC001577279780 993578719 /nfs/dbraw/zinc/57/87/19/993578719.db2.gz PYLQONCPZVKXFC-RYUDHWBXSA-N 1 3 235.331 1.346 20 0 BDADHO CCC[C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577357677 993617194 /nfs/dbraw/zinc/61/71/94/993617194.db2.gz FDJHDHVBRBJQOG-QJPTWQEYSA-N 1 3 214.353 1.661 20 0 BDADHO CCCSC[C@@H](C)NCC1([NH3+])CCC1 ZINC001577597145 993691363 /nfs/dbraw/zinc/69/13/63/993691363.db2.gz SIJYPJUUPYXMDV-SNVBAGLBSA-N 1 3 216.394 1.989 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1N ZINC000389311239 993741842 /nfs/dbraw/zinc/74/18/42/993741842.db2.gz BWQIALWSKYWTGF-OUAUKWLOSA-N 1 3 214.353 1.063 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1N ZINC000389311239 993741850 /nfs/dbraw/zinc/74/18/50/993741850.db2.gz BWQIALWSKYWTGF-OUAUKWLOSA-N 1 3 214.353 1.063 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN1CCC[C@H](C)CC1 ZINC000393884612 994017776 /nfs/dbraw/zinc/01/77/76/994017776.db2.gz QGAWUSCKNKJIQU-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@@H](O)CCCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001308119800 995551233 /nfs/dbraw/zinc/55/12/33/995551233.db2.gz GVLYLCHDPGJTKM-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H](O)CCCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001308119800 995551241 /nfs/dbraw/zinc/55/12/41/995551241.db2.gz GVLYLCHDPGJTKM-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000300976301 349486472 /nfs/dbraw/zinc/48/64/72/349486472.db2.gz HQSIIRQEPNCFOX-WYUUTHIRSA-N 1 3 212.337 1.271 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1CCO ZINC000161765461 349503584 /nfs/dbraw/zinc/50/35/84/349503584.db2.gz CPJFBVIWRCCDNV-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1CCO ZINC000161765461 349503586 /nfs/dbraw/zinc/50/35/86/349503586.db2.gz CPJFBVIWRCCDNV-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1cccc(F)c1 ZINC000422942128 398159555 /nfs/dbraw/zinc/15/95/55/398159555.db2.gz KEATYSAOUDUOEM-MNOVXSKESA-N 1 3 240.322 1.920 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835300 398170488 /nfs/dbraw/zinc/17/04/88/398170488.db2.gz DIRPBVWDSLQMJO-FKZOYECMSA-N 1 3 240.391 1.645 20 0 BDADHO COC1(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000379838837 398173717 /nfs/dbraw/zinc/17/37/17/398173717.db2.gz FXIMTBPKXJMTFF-VXGBXAGGSA-N 1 3 224.348 1.097 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(F)cc1 ZINC000422944065 398160401 /nfs/dbraw/zinc/16/04/01/398160401.db2.gz RKVXBKUNNZGNCA-CHWSQXEVSA-N 1 3 238.306 1.674 20 0 BDADHO COC[C@@H](NCC1([NH3+])CCCCC1)C(C)C ZINC000423174594 398164550 /nfs/dbraw/zinc/16/45/50/398164550.db2.gz BGRGZEJAAKDCFM-GFCCVEGCSA-N 1 3 228.380 1.909 20 0 BDADHO COCC1(CC[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000576227802 365529742 /nfs/dbraw/zinc/52/97/42/365529742.db2.gz IZNDXUDENHYHTH-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)CN1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000162661118 538923948 /nfs/dbraw/zinc/92/39/48/538923948.db2.gz JDZKZGHUUBDPBS-KBPBESRZSA-N 1 3 239.407 1.401 20 0 BDADHO CCC[C@@H](CN[C@H](C)CC[NH+](C)C)OC ZINC000386556224 398213340 /nfs/dbraw/zinc/21/33/40/398213340.db2.gz IBCVDGAEWLZHPV-NEPJUHHUSA-N 1 3 216.369 1.731 20 0 BDADHO Cc1cc(CN2CCC[C@H](CC[NH3+])C2)on1 ZINC000069724158 398213923 /nfs/dbraw/zinc/21/39/23/398213923.db2.gz PFNUOIKBYHCJAU-LLVKDONJSA-N 1 3 223.320 1.544 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000647803968 398214562 /nfs/dbraw/zinc/21/45/62/398214562.db2.gz GGOCRYXUECNZOK-AXTSPUMRSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCS[C@@H]1C ZINC000647803968 398214564 /nfs/dbraw/zinc/21/45/64/398214564.db2.gz GGOCRYXUECNZOK-AXTSPUMRSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017505 349524146 /nfs/dbraw/zinc/52/41/46/349524146.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 1 3 236.363 1.298 20 0 BDADHO C[C@@H]1C[C@@H](N(C)CCn2ccnc2)CC[N@H+]1C ZINC000162017505 349524148 /nfs/dbraw/zinc/52/41/48/349524148.db2.gz BHRVHZHDOJOYKJ-OLZOCXBDSA-N 1 3 236.363 1.298 20 0 BDADHO C[NH2+]CCCN[C@H](C)CCc1ccco1 ZINC000571669380 398243166 /nfs/dbraw/zinc/24/31/66/398243166.db2.gz JPSNTPNGZPNSLQ-LLVKDONJSA-N 1 3 210.321 1.800 20 0 BDADHO CNCCC[NH2+][C@H](C)CCc1ccco1 ZINC000571669380 398243169 /nfs/dbraw/zinc/24/31/69/398243169.db2.gz JPSNTPNGZPNSLQ-LLVKDONJSA-N 1 3 210.321 1.800 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000180507169 538958261 /nfs/dbraw/zinc/95/82/61/538958261.db2.gz WKVWVXQYNXWTRY-JQWIXIFHSA-N 1 3 236.363 1.711 20 0 BDADHO C[C@@H](c1ccccn1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838147 398284045 /nfs/dbraw/zinc/28/40/45/398284045.db2.gz JOGYLPHSCQKIFH-GRYCIOLGSA-N 1 3 219.332 1.669 20 0 BDADHO Cc1n[nH]cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632693 136241495 /nfs/dbraw/zinc/24/14/95/136241495.db2.gz IONBJLKQMMHLOA-OLZOCXBDSA-N 1 3 248.374 1.540 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184294 539027966 /nfs/dbraw/zinc/02/79/66/539027966.db2.gz BTGSMQQEXPPXEV-UONOGXRCSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@H]1CCCCN1CCC[NH2+]C1CSC1 ZINC000389744699 539017391 /nfs/dbraw/zinc/01/73/91/539017391.db2.gz XAZRNZDEZWWANU-NSHDSACASA-N 1 3 228.405 1.956 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000335637606 136242734 /nfs/dbraw/zinc/24/27/34/136242734.db2.gz PYUQSIGFJLBHCS-WCQYABFASA-N 1 3 225.380 1.058 20 0 BDADHO CC[NH+]1CCC(CN[C@@H]2CCn3ccnc32)CC1 ZINC000379011161 346884607 /nfs/dbraw/zinc/88/46/07/346884607.db2.gz MIKGMORTMRLRHN-CYBMUJFWSA-N 1 3 248.374 1.649 20 0 BDADHO CC[NH+](CC)CCCNC(=O)C1(N)CCCC1 ZINC000037616045 398332617 /nfs/dbraw/zinc/33/26/17/398332617.db2.gz KLFLVSVMSAQHST-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCc1cc(N2CCCN(CCO)CC2)cc[nH+]1 ZINC000307776984 529531981 /nfs/dbraw/zinc/53/19/81/529531981.db2.gz IBZBULCZDGNMMG-UHFFFAOYSA-N 1 3 249.358 1.148 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000235091979 342977285 /nfs/dbraw/zinc/97/72/85/342977285.db2.gz FNYQQTIQPLKSMP-NXEZZACHSA-N 1 3 214.378 1.742 20 0 BDADHO CSC1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000235091979 342977287 /nfs/dbraw/zinc/97/72/87/342977287.db2.gz FNYQQTIQPLKSMP-NXEZZACHSA-N 1 3 214.378 1.742 20 0 BDADHO CSC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000308781221 346911197 /nfs/dbraw/zinc/91/11/97/346911197.db2.gz CUOGNDINFISMKT-PHIMTYICSA-N 1 3 226.389 1.423 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCc1ccncc1 ZINC000576834444 365699130 /nfs/dbraw/zinc/69/91/30/365699130.db2.gz LCCSOBDYMVZVSV-OCCSQVGLSA-N 1 3 233.359 1.826 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565226413 323034524 /nfs/dbraw/zinc/03/45/24/323034524.db2.gz KUNMWKTYXSPHSW-MGPQQGTHSA-N 1 3 239.407 1.720 20 0 BDADHO COCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062079369 136271969 /nfs/dbraw/zinc/27/19/69/136271969.db2.gz MVQRHWBRCGSAPA-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO COCC[NH2+]C1CCN(CC(C)C)CC1 ZINC000152095202 343208109 /nfs/dbraw/zinc/20/81/09/343208109.db2.gz FRRRJNPQMHJIMM-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H]1CC[C@H](C[N@H+](C2CC2)C2CCNCC2)O1 ZINC000634687390 343239589 /nfs/dbraw/zinc/23/95/89/343239589.db2.gz JKVBWSKMDPIKEP-SMDDNHRTSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H]1CC[C@H](C[N@@H+](C2CC2)C2CCNCC2)O1 ZINC000634687390 343239591 /nfs/dbraw/zinc/23/95/91/343239591.db2.gz JKVBWSKMDPIKEP-SMDDNHRTSA-N 1 3 238.375 1.770 20 0 BDADHO CNCCC[N@H+](C)C1CCC(OC)CC1 ZINC000164302121 136292046 /nfs/dbraw/zinc/29/20/46/136292046.db2.gz CAEFZQLUVFVEDV-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CNCCC[N@@H+](C)C1CCC(OC)CC1 ZINC000164302121 136292047 /nfs/dbraw/zinc/29/20/47/136292047.db2.gz CAEFZQLUVFVEDV-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO Cc1nccn1CCCN1CCC[C@@H]1C[NH3+] ZINC000348755111 136297444 /nfs/dbraw/zinc/29/74/44/136297444.db2.gz GCLPCIPDXTZHGO-GFCCVEGCSA-N 1 3 222.336 1.005 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCC[C@@H]1CN ZINC000348755111 136297445 /nfs/dbraw/zinc/29/74/45/136297445.db2.gz GCLPCIPDXTZHGO-GFCCVEGCSA-N 1 3 222.336 1.005 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCC[C@@H]1CN ZINC000348755111 136297446 /nfs/dbraw/zinc/29/74/46/136297446.db2.gz GCLPCIPDXTZHGO-GFCCVEGCSA-N 1 3 222.336 1.005 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000348756353 136297455 /nfs/dbraw/zinc/29/74/55/136297455.db2.gz NUTQFUZYJFZTFQ-WCQYABFASA-N 1 3 236.363 1.251 20 0 BDADHO C[C@@H]1CN(CC[NH+]2CCCCC2)C[C@H](C)N1C ZINC000335635422 136300786 /nfs/dbraw/zinc/30/07/86/136300786.db2.gz VOUOPTGVTQCLFS-OKILXGFUSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H](N)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217637 136309954 /nfs/dbraw/zinc/30/99/54/136309954.db2.gz BVLRQCZWGMHSIS-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H](N)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217637 136309955 /nfs/dbraw/zinc/30/99/55/136309955.db2.gz BVLRQCZWGMHSIS-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO COCC[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000081715811 343422751 /nfs/dbraw/zinc/42/27/51/343422751.db2.gz DQOPOMRUZYOSCI-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000081715811 343422752 /nfs/dbraw/zinc/42/27/52/343422752.db2.gz DQOPOMRUZYOSCI-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000081715811 343422753 /nfs/dbraw/zinc/42/27/53/343422753.db2.gz DQOPOMRUZYOSCI-DCAQKATOSA-N 1 3 200.326 1.081 20 0 BDADHO c1nc(CNCC[C@H]2CCC[NH2+]C2)cs1 ZINC000082626958 343457207 /nfs/dbraw/zinc/45/72/07/343457207.db2.gz JVCBGPQUGYDYHY-SNVBAGLBSA-N 1 3 225.361 1.622 20 0 BDADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000052395781 343600229 /nfs/dbraw/zinc/60/02/29/343600229.db2.gz YGVVGRFXNKZDQM-AAEUAGOBSA-N 1 3 249.358 1.013 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127733425 343745922 /nfs/dbraw/zinc/74/59/22/343745922.db2.gz IPFJNZMBHLSTHB-ZIAGYGMSSA-N 1 3 238.375 1.796 20 0 BDADHO CC[NH+]1CCC(NCCc2nccs2)CC1 ZINC000063133285 343749758 /nfs/dbraw/zinc/74/97/58/343749758.db2.gz WTAMMJRPBBNTGM-UHFFFAOYSA-N 1 3 239.388 1.760 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187879115 259370443 /nfs/dbraw/zinc/37/04/43/259370443.db2.gz LQGUNSNPUSZUJB-CRWXNKLISA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000187879115 259370445 /nfs/dbraw/zinc/37/04/45/259370445.db2.gz LQGUNSNPUSZUJB-CRWXNKLISA-N 1 3 238.375 1.506 20 0 BDADHO CCn1cc(CCN2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000621775572 343900140 /nfs/dbraw/zinc/90/01/40/343900140.db2.gz SAPPDESVNQCIMK-YPMHNXCESA-N 1 3 236.363 1.115 20 0 BDADHO CCOC[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732287 344106993 /nfs/dbraw/zinc/10/69/93/344106993.db2.gz CFCRNJQRPVZLGE-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@@H]3CCSC3)CC[N@@H+]2C1 ZINC000130141691 344219053 /nfs/dbraw/zinc/21/90/53/344219053.db2.gz SDIQOBDQBHHNPB-IJLUTSLNSA-N 1 3 226.389 1.708 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@@H]3CCSC3)CC[N@H+]2C1 ZINC000130141691 344219054 /nfs/dbraw/zinc/21/90/54/344219054.db2.gz SDIQOBDQBHHNPB-IJLUTSLNSA-N 1 3 226.389 1.708 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)[C@H](C)OC ZINC000131854091 344237334 /nfs/dbraw/zinc/23/73/34/344237334.db2.gz OFTNDFBXWVMHHY-NEPJUHHUSA-N 1 3 216.369 1.731 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@H](C)OC ZINC000131854091 344237337 /nfs/dbraw/zinc/23/73/37/344237337.db2.gz OFTNDFBXWVMHHY-NEPJUHHUSA-N 1 3 216.369 1.731 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000580324381 347040412 /nfs/dbraw/zinc/04/04/12/347040412.db2.gz QTJOEPKAMSBBDK-KWQFWETISA-N 1 3 221.304 1.382 20 0 BDADHO CC[C@H]1C[C@H](C[N@H+](C)CCCN)CCO1 ZINC000381239145 344241509 /nfs/dbraw/zinc/24/15/09/344241509.db2.gz MPRLVWSYZBBEGR-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H]1C[C@H](C[N@@H+](C)CCCN)CCO1 ZINC000381239145 344241510 /nfs/dbraw/zinc/24/15/10/344241510.db2.gz MPRLVWSYZBBEGR-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@H]1C[C@H](CN(C)CCC[NH3+])CCO1 ZINC000381239145 344241511 /nfs/dbraw/zinc/24/15/11/344241511.db2.gz MPRLVWSYZBBEGR-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO [NH3+]CCOCCN1CCCc2ccccc2C1 ZINC000093232478 344312796 /nfs/dbraw/zinc/31/27/96/344312796.db2.gz MYVXFDVEQLVAAG-UHFFFAOYSA-N 1 3 234.343 1.410 20 0 BDADHO COC(=O)CCCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000600708207 344361190 /nfs/dbraw/zinc/36/11/90/344361190.db2.gz DOAJRFRZNZYDBU-NEPJUHHUSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000600708207 344361191 /nfs/dbraw/zinc/36/11/91/344361191.db2.gz DOAJRFRZNZYDBU-NEPJUHHUSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)CCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000600708207 344361193 /nfs/dbraw/zinc/36/11/93/344361193.db2.gz DOAJRFRZNZYDBU-NEPJUHHUSA-N 1 3 242.363 1.246 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCSC1 ZINC000577280544 344490140 /nfs/dbraw/zinc/49/01/40/344490140.db2.gz WSPSVUIGRHHHKZ-IVZWLZJFSA-N 1 3 202.367 1.455 20 0 BDADHO Cc1cnccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000385048560 344840073 /nfs/dbraw/zinc/84/00/73/344840073.db2.gz QDVHKRWHCXRDDT-LBPRGKRZSA-N 1 3 233.359 1.949 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000385480040 344833266 /nfs/dbraw/zinc/83/32/66/344833266.db2.gz NTTHZGKGGVQEEL-HZSPNIEDSA-N 1 3 240.391 1.467 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)C[NH+](CC)CC)N(C)C ZINC000338970429 537873531 /nfs/dbraw/zinc/87/35/31/537873531.db2.gz SWNVKMDIXUOTFC-NWDGAFQWSA-N 1 3 243.395 1.173 20 0 BDADHO C[NH+](C)CCCC(C)(C)NCc1ccon1 ZINC000634983416 345166488 /nfs/dbraw/zinc/16/64/88/345166488.db2.gz NIEPXJQGQXLHOV-UHFFFAOYSA-N 1 3 225.336 1.885 20 0 BDADHO CC(C)[C@H](C[NH3+])CNCc1cccc(N)c1 ZINC000634996708 345191291 /nfs/dbraw/zinc/19/12/91/345191291.db2.gz RHBDZZGGAXRFTE-GFCCVEGCSA-N 1 3 221.348 1.589 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCCO1 ZINC000634996076 345186417 /nfs/dbraw/zinc/18/64/17/345186417.db2.gz YVLODTCFNZIQTH-CMOBGSAGSA-N 1 3 224.348 1.286 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOCc1ccccc1 ZINC000390231662 259382972 /nfs/dbraw/zinc/38/29/72/259382972.db2.gz HPEZCYLLVQGAEB-LSDHHAIUSA-N 1 3 248.370 1.920 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000390231662 259382973 /nfs/dbraw/zinc/38/29/73/259382973.db2.gz HPEZCYLLVQGAEB-LSDHHAIUSA-N 1 3 248.370 1.920 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CCC[C@H]1[NH3+] ZINC000635003690 345206920 /nfs/dbraw/zinc/20/69/20/345206920.db2.gz KJSNZCBWCIZNFW-GMTAPVOTSA-N 1 3 200.326 1.007 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000635004905 345208475 /nfs/dbraw/zinc/20/84/75/345208475.db2.gz RECMRUVKUHHTKI-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)C1CC1 ZINC000635007704 345214974 /nfs/dbraw/zinc/21/49/74/345214974.db2.gz GJBSRRSCZOKPKT-NSHDSACASA-N 1 3 246.358 1.702 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000158481378 345338473 /nfs/dbraw/zinc/33/84/73/345338473.db2.gz HEOIZCGOJGKGKD-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000158481378 345338476 /nfs/dbraw/zinc/33/84/76/345338476.db2.gz HEOIZCGOJGKGKD-RYUDHWBXSA-N 1 3 214.328 1.762 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158635072 345358133 /nfs/dbraw/zinc/35/81/33/345358133.db2.gz OQBXLCQPYUAFCY-RWMBFGLXSA-N 1 3 224.348 1.239 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158635072 345358136 /nfs/dbraw/zinc/35/81/36/345358136.db2.gz OQBXLCQPYUAFCY-RWMBFGLXSA-N 1 3 224.348 1.239 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158635072 345358138 /nfs/dbraw/zinc/35/81/38/345358138.db2.gz OQBXLCQPYUAFCY-RWMBFGLXSA-N 1 3 224.348 1.239 20 0 BDADHO CC(C)N(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000224539738 535004695 /nfs/dbraw/zinc/00/46/95/535004695.db2.gz WQZLGIKGXFYPHX-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO CN(CC[N@H+](C)C1CCNCC1)c1ccccc1 ZINC000220673566 345746744 /nfs/dbraw/zinc/74/67/44/345746744.db2.gz ODHLGQIKQVIIHZ-UHFFFAOYSA-N 1 3 247.386 1.807 20 0 BDADHO CN(CC[N@@H+](C)C1CCNCC1)c1ccccc1 ZINC000220673566 345746748 /nfs/dbraw/zinc/74/67/48/345746748.db2.gz ODHLGQIKQVIIHZ-UHFFFAOYSA-N 1 3 247.386 1.807 20 0 BDADHO C[C@@H](CC[NH+](C)C)NCc1ccc2[nH]cnc2c1 ZINC000381396703 345799182 /nfs/dbraw/zinc/79/91/82/345799182.db2.gz VVJPSVGMIFNSMC-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO C[C@@H](CC[NH+](C)C)NCc1ccc2nc[nH]c2c1 ZINC000381396703 345799184 /nfs/dbraw/zinc/79/91/84/345799184.db2.gz VVJPSVGMIFNSMC-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000381396703 345799190 /nfs/dbraw/zinc/79/91/90/345799190.db2.gz VVJPSVGMIFNSMC-NSHDSACASA-N 1 3 246.358 1.993 20 0 BDADHO C[C@@H](NCCCC[NH+](C)C)c1ncc[nH]1 ZINC000285499977 537923472 /nfs/dbraw/zinc/92/34/72/537923472.db2.gz ADYMOOWDKTWUIE-SNVBAGLBSA-N 1 3 210.325 1.402 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000563268855 323107206 /nfs/dbraw/zinc/10/72/06/323107206.db2.gz NCTSPJLLKYKPTC-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000563268855 323107207 /nfs/dbraw/zinc/10/72/07/323107207.db2.gz NCTSPJLLKYKPTC-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](CC(C)C)C1 ZINC000563268855 323107208 /nfs/dbraw/zinc/10/72/08/323107208.db2.gz NCTSPJLLKYKPTC-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO Cc1cccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000071544584 179075038 /nfs/dbraw/zinc/07/50/38/179075038.db2.gz JNSYCMGBSZCEQX-UHFFFAOYSA-N 1 3 234.343 1.281 20 0 BDADHO Cc1c[nH+]ccc1N1CCN(CC2CC2)CC1 ZINC000191979305 259390057 /nfs/dbraw/zinc/39/00/57/259390057.db2.gz MAOYAVZQNOVTEV-UHFFFAOYSA-N 1 3 231.343 1.922 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCCc1ccncc1 ZINC000641802269 362757793 /nfs/dbraw/zinc/75/77/93/362757793.db2.gz IRAUQADCRUAQMP-OLZOCXBDSA-N 1 3 233.359 1.730 20 0 BDADHO C[N@H+](C[C@@H](O)CN[C@H]1C=CCCC1)C1CC1 ZINC000562991447 346717785 /nfs/dbraw/zinc/71/77/85/346717785.db2.gz OSBCUJZMHGJAFR-AAEUAGOBSA-N 1 3 224.348 1.140 20 0 BDADHO C[N@@H+](C[C@@H](O)CN[C@H]1C=CCCC1)C1CC1 ZINC000562991447 346717787 /nfs/dbraw/zinc/71/77/87/346717787.db2.gz OSBCUJZMHGJAFR-AAEUAGOBSA-N 1 3 224.348 1.140 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121011 346682661 /nfs/dbraw/zinc/68/26/61/346682661.db2.gz LNQHZYYARYMFQB-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121011 346682664 /nfs/dbraw/zinc/68/26/64/346682664.db2.gz LNQHZYYARYMFQB-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121014 346683101 /nfs/dbraw/zinc/68/31/01/346683101.db2.gz LNQHZYYARYMFQB-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121014 346683102 /nfs/dbraw/zinc/68/31/02/346683102.db2.gz LNQHZYYARYMFQB-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000580329008 347168691 /nfs/dbraw/zinc/16/86/91/347168691.db2.gz SZGQEAQKYMYNAI-NWDGAFQWSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)CCCCO)CN1CCCC1 ZINC000679333327 488341016 /nfs/dbraw/zinc/34/10/16/488341016.db2.gz JMSZZTIIVYFKMP-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000388382076 347375172 /nfs/dbraw/zinc/37/51/72/347375172.db2.gz RQMPSXVDXBJIFX-QWHCGFSZSA-N 1 3 228.380 1.910 20 0 BDADHO CSCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000591567783 347671123 /nfs/dbraw/zinc/67/11/23/347671123.db2.gz DHUFAXFAJHJDDJ-NXEZZACHSA-N 1 3 202.367 1.327 20 0 BDADHO CSCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000591567783 347671125 /nfs/dbraw/zinc/67/11/25/347671125.db2.gz DHUFAXFAJHJDDJ-NXEZZACHSA-N 1 3 202.367 1.327 20 0 BDADHO CC[C@@H](O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000304331519 323164052 /nfs/dbraw/zinc/16/40/52/323164052.db2.gz VGESERPXXUIVPQ-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000304331519 323164053 /nfs/dbraw/zinc/16/40/53/323164053.db2.gz VGESERPXXUIVPQ-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)C[C@H]1C ZINC000252981187 347832787 /nfs/dbraw/zinc/83/27/87/347832787.db2.gz QAZVJORZQAIJIY-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)C[C@H]1C ZINC000252981187 347832790 /nfs/dbraw/zinc/83/27/90/347832790.db2.gz QAZVJORZQAIJIY-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO CN(C)[C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040618 348032602 /nfs/dbraw/zinc/03/26/02/348032602.db2.gz TUWHQBHPMQZSNW-OAHLLOKOSA-N 1 3 247.386 1.631 20 0 BDADHO Cc1cccnc1CN1CCC(C[NH3+])CC1 ZINC000161109680 179373470 /nfs/dbraw/zinc/37/34/70/179373470.db2.gz UNTUWUIJYMCGAZ-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO C[C@H]1CCN(CCc2cccnc2)C[C@H]1C[NH3+] ZINC000253192693 348446224 /nfs/dbraw/zinc/44/62/24/348446224.db2.gz NNVRMDKQDSEFFF-GXTWGEPZSA-N 1 3 233.359 1.541 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000596655491 348600248 /nfs/dbraw/zinc/60/02/48/348600248.db2.gz WBNHYWZQNOOEDL-NNYUYHANSA-N 1 3 242.363 1.162 20 0 BDADHO CCSC1(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000596650049 348605378 /nfs/dbraw/zinc/60/53/78/348605378.db2.gz FREXRGDBFVYQQB-NXEZZACHSA-N 1 3 216.394 1.988 20 0 BDADHO CCSC1(CN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000596650049 348605380 /nfs/dbraw/zinc/60/53/80/348605380.db2.gz FREXRGDBFVYQQB-NXEZZACHSA-N 1 3 216.394 1.988 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CO[C@@H](C)C2)CC1 ZINC000401891839 348607621 /nfs/dbraw/zinc/60/76/21/348607621.db2.gz ONNOFHFXSGYRPT-WCQYABFASA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@H]1CCCO1 ZINC000251697418 349173156 /nfs/dbraw/zinc/17/31/56/349173156.db2.gz BCDMCJMCPHYNAA-GRYCIOLGSA-N 1 3 212.337 1.367 20 0 BDADHO C[N@@H+]1CC[C@@H](NCC2=CCCOC2)CC1(C)C ZINC000623525353 362944791 /nfs/dbraw/zinc/94/47/91/362944791.db2.gz HQUYGJWPZWZCMY-CYBMUJFWSA-N 1 3 238.375 1.796 20 0 BDADHO C[N@H+]1CC[C@@H](NCC2=CCCOC2)CC1(C)C ZINC000623525353 362944797 /nfs/dbraw/zinc/94/47/97/362944797.db2.gz HQUYGJWPZWZCMY-CYBMUJFWSA-N 1 3 238.375 1.796 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)COC)C1 ZINC000121866239 350014055 /nfs/dbraw/zinc/01/40/55/350014055.db2.gz GLDMTLVYEQXYEV-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)COC)C1 ZINC000121866239 350014060 /nfs/dbraw/zinc/01/40/60/350014060.db2.gz GLDMTLVYEQXYEV-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]([NH3+])C1CCN([C@@H](C)c2cnccn2)CC1 ZINC000070480050 350014993 /nfs/dbraw/zinc/01/49/93/350014993.db2.gz ZDEIPDMDOJTVDB-MNOVXSKESA-N 1 3 234.347 1.597 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCCC[C@H]1N ZINC000581661114 350038976 /nfs/dbraw/zinc/03/89/76/350038976.db2.gz MCWNXPHLWPSYCG-NOOOWODRSA-N 1 3 212.337 1.413 20 0 BDADHO CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000132170051 191026895 /nfs/dbraw/zinc/02/68/95/191026895.db2.gz DOTDWQFRHDVYEW-MELADBBJSA-N 1 3 234.343 1.738 20 0 BDADHO CCOC[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000132430826 191033467 /nfs/dbraw/zinc/03/34/67/191033467.db2.gz UXYYVNBYVHVCQV-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000132430826 191033469 /nfs/dbraw/zinc/03/34/69/191033469.db2.gz UXYYVNBYVHVCQV-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)[C@@H]1CCCC[N@@H+]1CCN1CCNCC1 ZINC000396005615 323281886 /nfs/dbraw/zinc/28/18/86/323281886.db2.gz ZDOQZXCPMPKRSF-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)[C@@H]1CCCC[N@H+]1CCN1CCNCC1 ZINC000396005615 323281889 /nfs/dbraw/zinc/28/18/89/323281889.db2.gz ZDOQZXCPMPKRSF-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H](CCc1ccco1)[NH2+]C1CCNCC1 ZINC000038040722 350302661 /nfs/dbraw/zinc/30/26/61/350302661.db2.gz PJIQOZFBDDZXKN-NSHDSACASA-N 1 3 222.332 1.942 20 0 BDADHO C[C@@H](CCc1ccco1)NC1CC[NH2+]CC1 ZINC000038040722 350302665 /nfs/dbraw/zinc/30/26/65/350302665.db2.gz PJIQOZFBDDZXKN-NSHDSACASA-N 1 3 222.332 1.942 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000163257524 350511429 /nfs/dbraw/zinc/51/14/29/350511429.db2.gz IFGADPOCTBRJGY-MELADBBJSA-N 1 3 239.407 1.258 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000163493941 350522626 /nfs/dbraw/zinc/52/26/26/350522626.db2.gz BDIWSPHLWKBZKK-ZIAGYGMSSA-N 1 3 241.423 1.791 20 0 BDADHO C[N@@H+]1CC[C@H](NCCOCCF)CC1(C)C ZINC000623575405 363004561 /nfs/dbraw/zinc/00/45/61/363004561.db2.gz ZCWUSZLGMVYRDC-NSHDSACASA-N 1 3 232.343 1.435 20 0 BDADHO C[N@H+]1CC[C@H](NCCOCCF)CC1(C)C ZINC000623575405 363004566 /nfs/dbraw/zinc/00/45/66/363004566.db2.gz ZCWUSZLGMVYRDC-NSHDSACASA-N 1 3 232.343 1.435 20 0 BDADHO CN(C)CCN1CCC([NH2+]CC(C)(C)C)CC1 ZINC000237155338 351345059 /nfs/dbraw/zinc/34/50/59/351345059.db2.gz KJLPFYGXEWZMMG-UHFFFAOYSA-N 1 3 241.423 1.648 20 0 BDADHO CC(C)[C@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253033111 535160552 /nfs/dbraw/zinc/16/05/52/535160552.db2.gz UIPBSPNWBAOSOY-MGPQQGTHSA-N 1 3 242.407 1.904 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253029908 535160833 /nfs/dbraw/zinc/16/08/33/535160833.db2.gz QPTMQSPCGKCMGM-IGQOVBAYSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C(C2CC2)C2CC2)CCN1 ZINC000572112103 323540129 /nfs/dbraw/zinc/54/01/29/323540129.db2.gz DWMWQSQQXSXVOD-CABZTGNLSA-N 1 3 208.349 1.905 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C1 ZINC000577626404 366023860 /nfs/dbraw/zinc/02/38/60/366023860.db2.gz DQBFGEZWFSPDKF-WOPDTQHZSA-N 1 3 234.347 1.127 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C1 ZINC000577626401 366024178 /nfs/dbraw/zinc/02/41/78/366024178.db2.gz DQBFGEZWFSPDKF-GRYCIOLGSA-N 1 3 234.347 1.127 20 0 BDADHO CNCc1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000637808928 351645592 /nfs/dbraw/zinc/64/55/92/351645592.db2.gz IMLYBGVGXJLHGJ-UHFFFAOYSA-N 1 3 247.342 1.344 20 0 BDADHO CCN[C@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000637809327 351646322 /nfs/dbraw/zinc/64/63/22/351646322.db2.gz PSFFWOHWFSTUFF-SNVBAGLBSA-N 1 3 235.331 1.343 20 0 BDADHO CCNCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000577720047 366042192 /nfs/dbraw/zinc/04/21/92/366042192.db2.gz NQMJWRRYHUPAGA-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CCC(C)C ZINC000637867600 351731267 /nfs/dbraw/zinc/73/12/67/351731267.db2.gz VUMAHSJMVMMIGU-NWDGAFQWSA-N 1 3 243.395 1.384 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000638131747 352001942 /nfs/dbraw/zinc/00/19/42/352001942.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCC[C@H]2CCO2)C1 ZINC000638131747 352001946 /nfs/dbraw/zinc/00/19/46/352001946.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000638131747 352001949 /nfs/dbraw/zinc/00/19/49/352001949.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC[C@H]2CCO2)C1 ZINC000638131747 352001951 /nfs/dbraw/zinc/00/19/51/352001951.db2.gz DRBJMQCOCROVAD-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638175101 352040574 /nfs/dbraw/zinc/04/05/74/352040574.db2.gz WMHHZPZHJNWWHM-CYBMUJFWSA-N 1 3 249.358 1.847 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000638262546 352105241 /nfs/dbraw/zinc/10/52/41/352105241.db2.gz OEKJHSUUXRNWBR-LLVKDONJSA-N 1 3 241.379 1.090 20 0 BDADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[C@@H]1CCO1 ZINC000638378474 352189308 /nfs/dbraw/zinc/18/93/08/352189308.db2.gz XEQWBVJKCGJDGG-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[C@@H]1CCO1 ZINC000638378474 352189311 /nfs/dbraw/zinc/18/93/11/352189311.db2.gz XEQWBVJKCGJDGG-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C[C@@H]1CCO1 ZINC000638378474 352189313 /nfs/dbraw/zinc/18/93/13/352189313.db2.gz XEQWBVJKCGJDGG-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2cnccn2)C1 ZINC000638380591 352191055 /nfs/dbraw/zinc/19/10/55/352191055.db2.gz CUGWDZKMEDRHHV-CHWSQXEVSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H](C)Cc2cnccn2)C1 ZINC000638380591 352191057 /nfs/dbraw/zinc/19/10/57/352191057.db2.gz CUGWDZKMEDRHHV-CHWSQXEVSA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H](C)Cc2cnccn2)C1 ZINC000638380591 352191060 /nfs/dbraw/zinc/19/10/60/352191060.db2.gz CUGWDZKMEDRHHV-CHWSQXEVSA-N 1 3 248.374 1.339 20 0 BDADHO CCOC1CC(C[NH2+]C[C@H]2CCN(CC)C2)C1 ZINC000638381952 352193988 /nfs/dbraw/zinc/19/39/88/352193988.db2.gz RDKFPOZPNKTARD-IYXRBSQSSA-N 1 3 240.391 1.733 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@@H](N)CC1CCCCC1 ZINC000638516259 352343623 /nfs/dbraw/zinc/34/36/23/352343623.db2.gz PZBMRUSJSAWNKM-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO CC[C@@H](C)CNC[C@@]1(COC)CCC[NH2+]1 ZINC000414952031 352372208 /nfs/dbraw/zinc/37/22/08/352372208.db2.gz HSGZPBXBPTTZTN-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000415013989 352550594 /nfs/dbraw/zinc/55/05/94/352550594.db2.gz WDJJWKZCGGWQHL-QWRGUYRKSA-N 1 3 222.332 1.911 20 0 BDADHO C(NC1CCSCC1)[C@H]1CCCC[NH2+]1 ZINC000232450997 352674395 /nfs/dbraw/zinc/67/43/95/352674395.db2.gz VUGRUJPSGSBPCS-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO CC[C@@](C)(O)C[NH+]1CCC2(CCCN2C)CC1 ZINC000334211979 352809241 /nfs/dbraw/zinc/80/92/41/352809241.db2.gz QRHOFBMVMIDOKZ-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC1(F)F ZINC000638839221 353016676 /nfs/dbraw/zinc/01/66/76/353016676.db2.gz ZVCRKKGQKHGXQB-KOLCDFICSA-N 1 3 230.302 1.882 20 0 BDADHO CC(C)C[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821817 353002604 /nfs/dbraw/zinc/00/26/04/353002604.db2.gz BAVFJDBYCLSUFZ-NEPJUHHUSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H]([NH3+])CN1CCN(C2CCC(C)CC2)CC1 ZINC000334397307 353065474 /nfs/dbraw/zinc/06/54/74/353065474.db2.gz WQLAUSWPNTVZBL-ROKHWSDSSA-N 1 3 239.407 1.530 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000037619271 358475789 /nfs/dbraw/zinc/47/57/89/358475789.db2.gz KLNHHBTWRJJVMD-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000037619271 358475792 /nfs/dbraw/zinc/47/57/92/358475792.db2.gz KLNHHBTWRJJVMD-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCO[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000161965569 538111695 /nfs/dbraw/zinc/11/16/95/538111695.db2.gz YMVWZCYQOGVULW-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CCO[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000161965569 538111696 /nfs/dbraw/zinc/11/16/96/538111696.db2.gz YMVWZCYQOGVULW-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](C)[C@@H]1CCSC1 ZINC000037175242 188279977 /nfs/dbraw/zinc/27/99/77/188279977.db2.gz CAXPRGPKDNJDJH-GHMZBOCLSA-N 1 3 216.394 1.797 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](C)[C@@H]1CCSC1 ZINC000037175242 188279978 /nfs/dbraw/zinc/27/99/78/188279978.db2.gz CAXPRGPKDNJDJH-GHMZBOCLSA-N 1 3 216.394 1.797 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCOC2)CC1 ZINC000070964975 188287266 /nfs/dbraw/zinc/28/72/66/188287266.db2.gz RJKHFDPZBUFPMN-GFCCVEGCSA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@H]1CCOC1 ZINC000309778346 188324470 /nfs/dbraw/zinc/32/44/70/188324470.db2.gz QKHGHSSIQYJDAH-AGIUHOORSA-N 1 3 228.380 1.589 20 0 BDADHO CC(C)N1CCC([NH2+]CCN2CCC2)CC1 ZINC000336671080 188341010 /nfs/dbraw/zinc/34/10/10/188341010.db2.gz NPIRQAPRXXNCIV-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)[NH+]1CCC(NCCN2CCC2)CC1 ZINC000336671080 188341012 /nfs/dbraw/zinc/34/10/12/188341012.db2.gz NPIRQAPRXXNCIV-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@H](C)[C@H]1CCCO1 ZINC000309453973 188345030 /nfs/dbraw/zinc/34/50/30/188345030.db2.gz QNFHLZMKVOBNQY-CHWSQXEVSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@H](C)[C@H]1CCCO1 ZINC000309453973 188345031 /nfs/dbraw/zinc/34/50/31/188345031.db2.gz QNFHLZMKVOBNQY-CHWSQXEVSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309453973 188345033 /nfs/dbraw/zinc/34/50/33/188345033.db2.gz QNFHLZMKVOBNQY-CHWSQXEVSA-N 1 3 228.380 1.874 20 0 BDADHO CN[C@@H](C)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639066053 353377406 /nfs/dbraw/zinc/37/74/06/353377406.db2.gz SWGAHMFXKQYNFX-QWRGUYRKSA-N 1 3 247.342 1.074 20 0 BDADHO CN(CCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668632 353642288 /nfs/dbraw/zinc/64/22/88/353642288.db2.gz AZIQLBZJJRSGLE-CQSZACIVSA-N 1 3 233.359 1.698 20 0 BDADHO C[C@@H]1CN(CC[NH+]2CCCCC2)[C@H](C)CN1C ZINC000334522798 353890893 /nfs/dbraw/zinc/89/08/93/353890893.db2.gz ZSHBDNXDGRLWTB-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915931 354040650 /nfs/dbraw/zinc/04/06/50/354040650.db2.gz GALPHUXYVTXSRE-QWHCGFSZSA-N 1 3 242.407 1.810 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343915931 354040651 /nfs/dbraw/zinc/04/06/51/354040651.db2.gz GALPHUXYVTXSRE-QWHCGFSZSA-N 1 3 242.407 1.810 20 0 BDADHO C[NH+](C)[C@H]1CCCN(C[C@@H](O)C(C)(C)C)CC1 ZINC000343915931 354040653 /nfs/dbraw/zinc/04/06/53/354040653.db2.gz GALPHUXYVTXSRE-QWHCGFSZSA-N 1 3 242.407 1.810 20 0 BDADHO CN(CCCc1cnn(C)c1)CCC[NH+](C)C ZINC000639167136 354046876 /nfs/dbraw/zinc/04/68/76/354046876.db2.gz AWZBZAGIBOEBPN-UHFFFAOYSA-N 1 3 238.379 1.236 20 0 BDADHO CC[C@@H](F)CN(C)CCC[N@H+](C)CCN(C)C ZINC000344032821 354095869 /nfs/dbraw/zinc/09/58/69/354095869.db2.gz DSOCJRSBVPYRQR-CYBMUJFWSA-N 1 3 247.402 1.550 20 0 BDADHO CC[C@@H](F)CN(C)CCC[N@@H+](C)CCN(C)C ZINC000344032821 354095872 /nfs/dbraw/zinc/09/58/72/354095872.db2.gz DSOCJRSBVPYRQR-CYBMUJFWSA-N 1 3 247.402 1.550 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639170738 354124693 /nfs/dbraw/zinc/12/46/93/354124693.db2.gz WVGKUPNRZKHYHN-KBPBESRZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)(C)[C@@H](CCO)[NH2+]C1CCNCC1 ZINC000231076151 363337368 /nfs/dbraw/zinc/33/73/68/363337368.db2.gz OHIKHKUDYNXVIZ-LLVKDONJSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)(C)[C@@H](CCO)NC1CC[NH2+]CC1 ZINC000231076151 363337372 /nfs/dbraw/zinc/33/73/72/363337372.db2.gz OHIKHKUDYNXVIZ-LLVKDONJSA-N 1 3 214.353 1.125 20 0 BDADHO COCCCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000231669464 363347479 /nfs/dbraw/zinc/34/74/79/363347479.db2.gz BAKSBDLHIDEYJD-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO COCCCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000231669464 363347483 /nfs/dbraw/zinc/34/74/83/363347483.db2.gz BAKSBDLHIDEYJD-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000344304466 354215562 /nfs/dbraw/zinc/21/55/62/354215562.db2.gz UKIMGRNKFYCXTD-GXTWGEPZSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@H](CCNC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000345998400 354836049 /nfs/dbraw/zinc/83/60/49/354836049.db2.gz WHSBGUWMVOEFOF-YUELXQCFSA-N 1 3 248.370 1.350 20 0 BDADHO CCC1(C[N@@H+]2CC[C@H]([C@H](C)N)C2)CCOCC1 ZINC000346691042 355075158 /nfs/dbraw/zinc/07/51/58/355075158.db2.gz UVHRQNQSBCYTQX-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@H]([C@H](C)N)C2)CCOCC1 ZINC000346691042 355075164 /nfs/dbraw/zinc/07/51/64/355075164.db2.gz UVHRQNQSBCYTQX-STQMWFEESA-N 1 3 240.391 1.862 20 0 BDADHO c1[nH]nc2c1cccc2C[NH2+]C1CCNCC1 ZINC000335280729 355245314 /nfs/dbraw/zinc/24/53/14/355245314.db2.gz XDKNKEKSNQYAQW-UHFFFAOYSA-N 1 3 230.315 1.405 20 0 BDADHO CCOC(=O)CCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113515301 355251991 /nfs/dbraw/zinc/25/19/91/355251991.db2.gz CHJGJYPXIQBRGU-GFCCVEGCSA-N 1 3 242.363 1.213 20 0 BDADHO CCOC(=O)CCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113515301 355251993 /nfs/dbraw/zinc/25/19/93/355251993.db2.gz CHJGJYPXIQBRGU-GFCCVEGCSA-N 1 3 242.363 1.213 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000335774927 355399930 /nfs/dbraw/zinc/39/99/30/355399930.db2.gz YPDDULWIRHSRQU-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000335774927 355399932 /nfs/dbraw/zinc/39/99/32/355399932.db2.gz YPDDULWIRHSRQU-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1CCCOC1 ZINC000389011787 355409314 /nfs/dbraw/zinc/40/93/14/355409314.db2.gz SPAZBJIGUWYLHL-WUHRBBMRSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](N)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000414826250 191588121 /nfs/dbraw/zinc/58/81/21/191588121.db2.gz VFQNEKCSPREFSN-FZMZJTMJSA-N 1 3 218.344 1.871 20 0 BDADHO C[C@H]([NH3+])CCN[C@H]1CCc2ccccc2C1 ZINC000414826250 191588124 /nfs/dbraw/zinc/58/81/24/191588124.db2.gz VFQNEKCSPREFSN-FZMZJTMJSA-N 1 3 218.344 1.871 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000084718491 355486193 /nfs/dbraw/zinc/48/61/93/355486193.db2.gz OVTRQIBYXNRHAZ-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO CCC(CC)(CCO)C[NH2+]C[C@@H]1CCCNC1 ZINC000415082444 191673889 /nfs/dbraw/zinc/67/38/89/191673889.db2.gz MAEVHQIDNHOPDC-CYBMUJFWSA-N 1 3 242.407 1.764 20 0 BDADHO CCN(CC)CCC[N@H+](C)CC1(C)COC1 ZINC000608563103 355861057 /nfs/dbraw/zinc/86/10/57/355861057.db2.gz NFAFLHFMSONIMD-UHFFFAOYSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CC1(C)COC1 ZINC000608563103 355861062 /nfs/dbraw/zinc/86/10/62/355861062.db2.gz NFAFLHFMSONIMD-UHFFFAOYSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccnn1C ZINC000192249726 356077869 /nfs/dbraw/zinc/07/78/69/356077869.db2.gz JRCNPMXQMBPFOY-NEPJUHHUSA-N 1 3 248.374 1.555 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000335917665 356163252 /nfs/dbraw/zinc/16/32/52/356163252.db2.gz XBZFQJAKGFFWDL-AWEZNQCLSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000335917665 356163254 /nfs/dbraw/zinc/16/32/54/356163254.db2.gz XBZFQJAKGFFWDL-AWEZNQCLSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1nccn1CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335917665 356163257 /nfs/dbraw/zinc/16/32/57/356163257.db2.gz XBZFQJAKGFFWDL-AWEZNQCLSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1nccn1CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335917665 356163259 /nfs/dbraw/zinc/16/32/59/356163259.db2.gz XBZFQJAKGFFWDL-AWEZNQCLSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000335917668 356163835 /nfs/dbraw/zinc/16/38/35/356163835.db2.gz XBZFQJAKGFFWDL-CQSZACIVSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000335917668 356163839 /nfs/dbraw/zinc/16/38/39/356163839.db2.gz XBZFQJAKGFFWDL-CQSZACIVSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1nccn1CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335917668 356163842 /nfs/dbraw/zinc/16/38/42/356163842.db2.gz XBZFQJAKGFFWDL-CQSZACIVSA-N 1 3 248.374 1.219 20 0 BDADHO Cc1nccn1CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335917668 356163846 /nfs/dbraw/zinc/16/38/46/356163846.db2.gz XBZFQJAKGFFWDL-CQSZACIVSA-N 1 3 248.374 1.219 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000305679719 192017912 /nfs/dbraw/zinc/01/79/12/192017912.db2.gz NCZZCWDSTCEEKL-CHWSQXEVSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(CC[C@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000305679719 192017914 /nfs/dbraw/zinc/01/79/14/192017914.db2.gz NCZZCWDSTCEEKL-CHWSQXEVSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)OC(=O)CCN1CCC([C@@H](C)[NH3+])CC1 ZINC000420291747 192203609 /nfs/dbraw/zinc/20/36/09/192203609.db2.gz KRCARJFEBDXKTB-LLVKDONJSA-N 1 3 242.363 1.387 20 0 BDADHO CN(CC[C@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000420296972 192205866 /nfs/dbraw/zinc/20/58/66/192205866.db2.gz XTFAKQYDLSCWIO-GFCCVEGCSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCc1ccncc1 ZINC000420320913 192195537 /nfs/dbraw/zinc/19/55/37/192195537.db2.gz QVROZKZVUKXZBG-TZMCWYRMSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCc1ccncc1 ZINC000420320913 192195538 /nfs/dbraw/zinc/19/55/38/192195538.db2.gz QVROZKZVUKXZBG-TZMCWYRMSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCc1ccncc1 ZINC000420320913 192195541 /nfs/dbraw/zinc/19/55/41/192195541.db2.gz QVROZKZVUKXZBG-TZMCWYRMSA-N 1 3 233.359 1.683 20 0 BDADHO CCN(C)C(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000420319137 192196102 /nfs/dbraw/zinc/19/61/02/192196102.db2.gz RFDRMLBCQVYXSH-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1CCN ZINC000420319137 192196103 /nfs/dbraw/zinc/19/61/03/192196103.db2.gz RFDRMLBCQVYXSH-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1CCN ZINC000420319137 192196106 /nfs/dbraw/zinc/19/61/06/192196106.db2.gz RFDRMLBCQVYXSH-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO COC(=O)CC1(C[N@H+](C)C2CCNCC2)CC1 ZINC000420272564 192196799 /nfs/dbraw/zinc/19/67/99/192196799.db2.gz MIBYELBBTFXXIP-UHFFFAOYSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)CC1(C[N@@H+](C)C2CCNCC2)CC1 ZINC000420272564 192196802 /nfs/dbraw/zinc/19/68/02/192196802.db2.gz MIBYELBBTFXXIP-UHFFFAOYSA-N 1 3 240.347 1.014 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000420272907 192197590 /nfs/dbraw/zinc/19/75/90/192197590.db2.gz MSSWYIPCAAEYPV-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000420272907 192197592 /nfs/dbraw/zinc/19/75/92/192197592.db2.gz MSSWYIPCAAEYPV-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCS1 ZINC000422872844 192494909 /nfs/dbraw/zinc/49/49/09/192494909.db2.gz IVIJVLUYEPEJNU-IVZWLZJFSA-N 1 3 200.351 1.351 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420318309 192214213 /nfs/dbraw/zinc/21/42/13/192214213.db2.gz OKHRZPUJTQEGBO-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000420306727 192209285 /nfs/dbraw/zinc/20/92/85/192209285.db2.gz AXVVQFROWWUPAE-CYBMUJFWSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000420306727 192209288 /nfs/dbraw/zinc/20/92/88/192209288.db2.gz AXVVQFROWWUPAE-CYBMUJFWSA-N 1 3 242.363 1.391 20 0 BDADHO CCOC(=O)CCCCN1CC[C@](C)(C[NH3+])C1 ZINC000420306727 192209289 /nfs/dbraw/zinc/20/92/89/192209289.db2.gz AXVVQFROWWUPAE-CYBMUJFWSA-N 1 3 242.363 1.391 20 0 BDADHO CC(C)COCCN[C@](C)(C[NH3+])C(C)C ZINC000420322273 192227423 /nfs/dbraw/zinc/22/74/23/192227423.db2.gz SIFRMTIAPGVUDA-GFCCVEGCSA-N 1 3 216.369 1.622 20 0 BDADHO CCN(CC[C@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000420322810 192228525 /nfs/dbraw/zinc/22/85/25/192228525.db2.gz SXYTZCSEXFCVAP-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000383740015 491090563 /nfs/dbraw/zinc/09/05/63/491090563.db2.gz IDYGMBAKTWMGNB-HZSPNIEDSA-N 1 3 240.391 1.419 20 0 BDADHO CCC(C)(C)CC[N@H+](C)C[C@@H](O)CN ZINC000420362669 192223284 /nfs/dbraw/zinc/22/32/84/192223284.db2.gz ZMPGBEMQSKLNHS-JTQLQIEISA-N 1 3 202.342 1.064 20 0 BDADHO CCC(C)(C)CC[N@@H+](C)C[C@@H](O)CN ZINC000420362669 192223286 /nfs/dbraw/zinc/22/32/86/192223286.db2.gz ZMPGBEMQSKLNHS-JTQLQIEISA-N 1 3 202.342 1.064 20 0 BDADHO CCC(C)(C)CCN(C)C[C@@H](O)C[NH3+] ZINC000420362669 192223288 /nfs/dbraw/zinc/22/32/88/192223288.db2.gz ZMPGBEMQSKLNHS-JTQLQIEISA-N 1 3 202.342 1.064 20 0 BDADHO Cc1cc(C2CCN(CCC[NH3+])CC2)n[nH]1 ZINC000420365014 192223322 /nfs/dbraw/zinc/22/33/22/192223322.db2.gz DKUURKREOIHIOZ-UHFFFAOYSA-N 1 3 222.336 1.246 20 0 BDADHO Cc1cc(C2CCN(CCC[NH3+])CC2)[nH]n1 ZINC000420365014 192223323 /nfs/dbraw/zinc/22/33/23/192223323.db2.gz DKUURKREOIHIOZ-UHFFFAOYSA-N 1 3 222.336 1.246 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC[C@@H]1CCCO1 ZINC000420363804 192224381 /nfs/dbraw/zinc/22/43/81/192224381.db2.gz JURQPVFSVKDNII-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO C[NH2+]CCCN[C@H](C)[C@H]1COc2ccccc21 ZINC000420394068 192237461 /nfs/dbraw/zinc/23/74/61/192237461.db2.gz CLQOBIGJNOBRGW-DGCLKSJQSA-N 1 3 234.343 1.750 20 0 BDADHO CNCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000420422328 192242233 /nfs/dbraw/zinc/24/22/33/192242233.db2.gz ZGJQLTTVBQSGGX-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO Cc1ccccc1[C@H](C)NCCOCC[NH3+] ZINC000420373676 192231850 /nfs/dbraw/zinc/23/18/50/192231850.db2.gz MVHLBIPJGNSRCA-LBPRGKRZSA-N 1 3 222.332 1.621 20 0 BDADHO CCOC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420374066 192232095 /nfs/dbraw/zinc/23/20/95/192232095.db2.gz RVCZJHTXQCUPKB-LBPRGKRZSA-N 1 3 242.363 1.437 20 0 BDADHO CCOC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420374063 192232427 /nfs/dbraw/zinc/23/24/27/192232427.db2.gz RVCZJHTXQCUPKB-GFCCVEGCSA-N 1 3 242.363 1.437 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422906191 192502486 /nfs/dbraw/zinc/50/24/86/192502486.db2.gz UIJBPBOGDABNEZ-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO CCN1CCN(CCC[NH+](CC)CC)CC1 ZINC000041248850 358507227 /nfs/dbraw/zinc/50/72/27/358507227.db2.gz FMVJEMQWPGMBJY-UHFFFAOYSA-N 1 3 227.396 1.356 20 0 BDADHO CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422954868 192525487 /nfs/dbraw/zinc/52/54/87/192525487.db2.gz IIIQXQVPTLQZHI-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO COC[C@H](C)C[NH2+]CCCN1CCCC1 ZINC000045695227 538466914 /nfs/dbraw/zinc/46/69/14/538466914.db2.gz NRRIQYISPFZEFJ-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000167601960 134152775 /nfs/dbraw/zinc/15/27/75/134152775.db2.gz XCDVJGXIZSTOCN-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000167601960 134152776 /nfs/dbraw/zinc/15/27/76/134152776.db2.gz XCDVJGXIZSTOCN-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167601960 134152777 /nfs/dbraw/zinc/15/27/77/134152777.db2.gz XCDVJGXIZSTOCN-WOPDTQHZSA-N 1 3 214.353 1.328 20 0 BDADHO CCC[C@H](O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000450339545 202135248 /nfs/dbraw/zinc/13/52/48/202135248.db2.gz RDXLCBJKPYMCLB-AWEZNQCLSA-N 1 3 242.407 1.952 20 0 BDADHO Cc1nocc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639754821 356658544 /nfs/dbraw/zinc/65/85/44/356658544.db2.gz BANLKLQXIMLBJS-UHFFFAOYSA-N 1 3 249.358 1.901 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423123829 192577056 /nfs/dbraw/zinc/57/70/56/192577056.db2.gz FIGBBCICXFGZPD-NEPJUHHUSA-N 1 3 228.380 1.637 20 0 BDADHO [NH3+]Cc1ccc(-c2cnn3c2CNCC3)s1 ZINC000675075557 538509541 /nfs/dbraw/zinc/50/95/41/538509541.db2.gz AREOULXNPCLBJI-UHFFFAOYSA-N 1 3 234.328 1.174 20 0 BDADHO COC[C@@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335385 356717475 /nfs/dbraw/zinc/71/74/75/356717475.db2.gz KXDIYPHACVHTLS-MNOVXSKESA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335385 356717478 /nfs/dbraw/zinc/71/74/78/356717478.db2.gz KXDIYPHACVHTLS-MNOVXSKESA-N 1 3 214.353 1.484 20 0 BDADHO CCC[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000450434632 202167931 /nfs/dbraw/zinc/16/79/31/202167931.db2.gz DLPWFLNNLZGHNC-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000450434632 202167933 /nfs/dbraw/zinc/16/79/33/202167933.db2.gz DLPWFLNNLZGHNC-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CN1CCC([NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000623342058 356742917 /nfs/dbraw/zinc/74/29/17/356742917.db2.gz DGFZZEYNDZXNIW-ZDUSSCGKSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355453556 356760241 /nfs/dbraw/zinc/76/02/41/356760241.db2.gz HEEGYTPGHPFZOX-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000355453556 356760245 /nfs/dbraw/zinc/76/02/45/356760245.db2.gz HEEGYTPGHPFZOX-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000450474832 202178009 /nfs/dbraw/zinc/17/80/09/202178009.db2.gz SPJGXERBZXFFAG-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000450474832 202178012 /nfs/dbraw/zinc/17/80/12/202178012.db2.gz SPJGXERBZXFFAG-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CN1CCC[C@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623377273 356896715 /nfs/dbraw/zinc/89/67/15/356896715.db2.gz SPOMYXMGHMBXEO-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423199340 192623737 /nfs/dbraw/zinc/62/37/37/192623737.db2.gz JTXZHFVLBPLSJY-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO CCCCOCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000119572110 357028734 /nfs/dbraw/zinc/02/87/34/357028734.db2.gz BFMIDVPFBFLHAT-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCCCOCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000119572110 357028737 /nfs/dbraw/zinc/02/87/37/357028737.db2.gz BFMIDVPFBFLHAT-OLZOCXBDSA-N 1 3 228.380 1.875 20 0 BDADHO CCSCCN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000130047349 357164202 /nfs/dbraw/zinc/16/42/02/357164202.db2.gz SLELGMBKDDXUQA-MNOVXSKESA-N 1 3 216.394 1.799 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000393690307 357293410 /nfs/dbraw/zinc/29/34/10/357293410.db2.gz DZZCQHHAOHEQOC-SDDRHHMPSA-N 1 3 228.380 1.643 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425900 357254436 /nfs/dbraw/zinc/25/44/36/357254436.db2.gz YUJPEQMTQKBTEY-QWHCGFSZSA-N 1 3 228.380 1.590 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425901 357254467 /nfs/dbraw/zinc/25/44/67/357254467.db2.gz YUJPEQMTQKBTEY-STQMWFEESA-N 1 3 228.380 1.590 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2cnn(C)c2c1 ZINC000582481404 357316762 /nfs/dbraw/zinc/31/67/62/357316762.db2.gz AOBCXKCXBRJZPX-MNOVXSKESA-N 1 3 246.358 1.789 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2cnn(C)c2c1 ZINC000582481406 357316903 /nfs/dbraw/zinc/31/69/03/357316903.db2.gz AOBCXKCXBRJZPX-WDEREUQCSA-N 1 3 246.358 1.789 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)C1CC(C)(C)C1 ZINC000395438327 357440809 /nfs/dbraw/zinc/44/08/09/357440809.db2.gz PIQZESDRZJCWLL-GFCCVEGCSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)C1CC(C)(C)C1 ZINC000395438327 357440812 /nfs/dbraw/zinc/44/08/12/357440812.db2.gz PIQZESDRZJCWLL-GFCCVEGCSA-N 1 3 228.380 1.419 20 0 BDADHO Cc1ccc(CCN[C@H](C)C[C@@H](C)[NH3+])cn1 ZINC000582839673 357412881 /nfs/dbraw/zinc/41/28/81/357412881.db2.gz HCAUKXYTJRQYKX-ZYHUDNBSSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)N)cn1 ZINC000582839673 357412884 /nfs/dbraw/zinc/41/28/84/357412884.db2.gz HCAUKXYTJRQYKX-ZYHUDNBSSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1cccs1 ZINC000231786952 357628628 /nfs/dbraw/zinc/62/86/28/357628628.db2.gz NPQOONQYKHMVRF-NSHDSACASA-N 1 3 242.388 1.977 20 0 BDADHO C[C@@H]1C[C@H](NCCc2cscn2)CC[N@@H+]1C ZINC000158882098 538869728 /nfs/dbraw/zinc/86/97/28/538869728.db2.gz CUMQIWGKGCUHRH-GHMZBOCLSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@@H]1C[C@H](NCCc2cscn2)CC[N@H+]1C ZINC000158882098 538869731 /nfs/dbraw/zinc/86/97/31/538869731.db2.gz CUMQIWGKGCUHRH-GHMZBOCLSA-N 1 3 239.388 1.758 20 0 BDADHO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCCNCC1 ZINC000231073461 357597538 /nfs/dbraw/zinc/59/75/38/357597538.db2.gz BYXLUQJZZAWCBR-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO Cc1ccc(CNCCOCC[NH+](C)C)nc1 ZINC000231676181 357619513 /nfs/dbraw/zinc/61/95/13/357619513.db2.gz LJUUEPNBLYWOJX-UHFFFAOYSA-N 1 3 237.347 1.058 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CCCNC2CC2)C1(C)C ZINC000233770656 357746349 /nfs/dbraw/zinc/74/63/49/357746349.db2.gz ZORKIDBEMZOPOP-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH2+]C2CC2)C1(C)C ZINC000233770656 357746352 /nfs/dbraw/zinc/74/63/52/357746352.db2.gz ZORKIDBEMZOPOP-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000398193715 357860002 /nfs/dbraw/zinc/86/00/02/357860002.db2.gz YHQBIUNIYKIXBE-WISYIIOYSA-N 1 3 212.337 1.413 20 0 BDADHO CC[N@H+](C)Cc1cccc(CNCCC(N)=O)c1 ZINC000584715226 358159971 /nfs/dbraw/zinc/15/99/71/358159971.db2.gz MPCRUKNNRPAOMG-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO CC[N@@H+](C)Cc1cccc(CNCCC(N)=O)c1 ZINC000584715226 358159976 /nfs/dbraw/zinc/15/99/76/358159976.db2.gz MPCRUKNNRPAOMG-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000223025735 358213894 /nfs/dbraw/zinc/21/38/94/358213894.db2.gz FMQYTJARATZKAY-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO C[C@H](O)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000227570032 358359593 /nfs/dbraw/zinc/35/95/93/358359593.db2.gz CHNCINJCUVGBMF-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO COCC[C@H](C)[N@@H+]1CCC[C@H](CN)C1 ZINC000045044552 358400381 /nfs/dbraw/zinc/40/03/81/358400381.db2.gz HKDKBFXDGHKVAP-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[C@H](C)[N@H+]1CCC[C@H](CN)C1 ZINC000045044552 358400383 /nfs/dbraw/zinc/40/03/83/358400383.db2.gz HKDKBFXDGHKVAP-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[C@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000045044552 358400387 /nfs/dbraw/zinc/40/03/87/358400387.db2.gz HKDKBFXDGHKVAP-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO COC(=O)CCCN1CCC(C[NH+](C)C)CC1 ZINC000042394684 358522696 /nfs/dbraw/zinc/52/26/96/358522696.db2.gz UFVXFPXQCBBECP-UHFFFAOYSA-N 1 3 242.363 1.213 20 0 BDADHO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000231073003 358414293 /nfs/dbraw/zinc/41/42/93/358414293.db2.gz ZLYQDKGDMLIYBG-WOPDTQHZSA-N 1 3 228.380 1.643 20 0 BDADHO CC[C@@H](C)[C@H](C)[NH2+]CCOCCN(C)C ZINC000219313123 134281426 /nfs/dbraw/zinc/28/14/26/134281426.db2.gz CFHIWTXPNYNICR-NEPJUHHUSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)N(C)C1CC1 ZINC000130944177 358654449 /nfs/dbraw/zinc/65/44/49/358654449.db2.gz ZGMDOTDAWXQROL-SCRDCRAPSA-N 1 3 239.407 1.399 20 0 BDADHO OC[C@H](Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000132258601 358714017 /nfs/dbraw/zinc/71/40/17/358714017.db2.gz MSQQIOHRKMWSQL-CABCVRRESA-N 1 3 248.370 1.179 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000133980393 358774148 /nfs/dbraw/zinc/77/41/48/358774148.db2.gz UZMLCYFRVLLQKE-WUHRBBMRSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000133980393 358774150 /nfs/dbraw/zinc/77/41/50/358774150.db2.gz UZMLCYFRVLLQKE-WUHRBBMRSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H]1OCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000133959521 358774617 /nfs/dbraw/zinc/77/46/17/358774617.db2.gz PTUHJZRPYXOAMY-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCO[C@H]2C)CC1 ZINC000134078836 358778919 /nfs/dbraw/zinc/77/89/19/358778919.db2.gz GYDLQLBTWVOPBE-WCQYABFASA-N 1 3 226.364 1.626 20 0 BDADHO CCN1CCC([NH2+]CCN(C)C(C)C)CC1 ZINC000054110735 358852928 /nfs/dbraw/zinc/85/29/28/358852928.db2.gz INUYHQNWDYXHQU-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO CCCCOCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403463 358967518 /nfs/dbraw/zinc/96/75/18/358967518.db2.gz CZZPYHAMGQHVQE-NWDGAFQWSA-N 1 3 214.353 1.663 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000086403371 358967757 /nfs/dbraw/zinc/96/77/57/358967757.db2.gz FXCDOONSAHOQKH-QJPTWQEYSA-N 1 3 212.337 1.273 20 0 BDADHO COCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247932248 359249882 /nfs/dbraw/zinc/24/98/82/359249882.db2.gz CDLYIXOXIZCYQS-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO COCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247932248 359249886 /nfs/dbraw/zinc/24/98/86/359249886.db2.gz CDLYIXOXIZCYQS-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO COC(=O)[C@H](C)C[N@H+](C)CC[C@H]1CCCN1C ZINC000248030637 359251927 /nfs/dbraw/zinc/25/19/27/359251927.db2.gz KEFYJNRRFMVCLE-VXGBXAGGSA-N 1 3 242.363 1.212 20 0 BDADHO COC(=O)[C@H](C)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000248030637 359251932 /nfs/dbraw/zinc/25/19/32/359251932.db2.gz KEFYJNRRFMVCLE-VXGBXAGGSA-N 1 3 242.363 1.212 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000423480467 192773863 /nfs/dbraw/zinc/77/38/63/192773863.db2.gz NHYPKXFKSOWPIP-HBNTYKKESA-N 1 3 247.333 1.091 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000087409476 359910983 /nfs/dbraw/zinc/91/09/83/359910983.db2.gz GCCQTHBAHCJZHL-WDEREUQCSA-N 1 3 238.379 1.719 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000578726409 366632357 /nfs/dbraw/zinc/63/23/57/366632357.db2.gz KJHLZXXHRMRELD-WOPDTQHZSA-N 1 3 214.353 1.247 20 0 BDADHO CCNCCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000578878304 366664313 /nfs/dbraw/zinc/66/43/13/366664313.db2.gz MVPPFHXYENNXDS-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO [NH3+]CC1(CC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000578879872 366666159 /nfs/dbraw/zinc/66/61/59/366666159.db2.gz QECRAXXCZFVVFE-UHFFFAOYSA-N 1 3 245.326 1.357 20 0 BDADHO OC1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000090799960 360088863 /nfs/dbraw/zinc/08/88/63/360088863.db2.gz YKQGSUPOBNAGAZ-DKNRTOFZSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000090799960 360088872 /nfs/dbraw/zinc/08/88/72/360088872.db2.gz YKQGSUPOBNAGAZ-DKNRTOFZSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000090799960 360088877 /nfs/dbraw/zinc/08/88/77/360088877.db2.gz YKQGSUPOBNAGAZ-DKNRTOFZSA-N 1 3 238.375 1.506 20 0 BDADHO Cc1c[nH+]ccc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091673079 360123387 /nfs/dbraw/zinc/12/33/87/360123387.db2.gz CBUZJFZLILZCRT-CHWSQXEVSA-N 1 3 247.342 1.665 20 0 BDADHO Cc1c[nH+]ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000091673082 360123464 /nfs/dbraw/zinc/12/34/64/360123464.db2.gz CBUZJFZLILZCRT-OLZOCXBDSA-N 1 3 247.342 1.665 20 0 BDADHO CC[C@H](C)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000093055852 360213595 /nfs/dbraw/zinc/21/35/95/360213595.db2.gz ACRQDLIKISWPEC-ZDUSSCGKSA-N 1 3 241.423 1.648 20 0 BDADHO Cc1ccc(F)c(CNCCOCCC[NH3+])c1 ZINC000629399116 361049472 /nfs/dbraw/zinc/04/94/72/361049472.db2.gz LVXFHRKPKBFTNQ-UHFFFAOYSA-N 1 3 240.322 1.589 20 0 BDADHO CCO[C@@H](CN1CC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629509981 361104770 /nfs/dbraw/zinc/10/47/70/361104770.db2.gz DKTQBPIFSMCRTN-YPMHNXCESA-N 1 3 226.364 1.343 20 0 BDADHO CCO[C@@H](CN[C@@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514468 361112632 /nfs/dbraw/zinc/11/26/32/361112632.db2.gz MCQCTAIOUNLFHH-STQMWFEESA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@@H]1Cc2ccccc2CO1 ZINC000629515154 361112894 /nfs/dbraw/zinc/11/28/94/361112894.db2.gz ZFLWECABEGSULO-XUJVJEKNSA-N 1 3 248.370 1.843 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1Cc2ccccc2CO1 ZINC000629515155 361113170 /nfs/dbraw/zinc/11/31/70/361113170.db2.gz ZFLWECABEGSULO-ZOWXZIJZSA-N 1 3 248.370 1.843 20 0 BDADHO CCO[C@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)C1CC1 ZINC000629516728 361115329 /nfs/dbraw/zinc/11/53/29/361115329.db2.gz OHXPUOZJFRUZRW-NQBHXWOUSA-N 1 3 226.364 1.471 20 0 BDADHO CCO[C@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)C1CC1 ZINC000629516728 361115333 /nfs/dbraw/zinc/11/53/33/361115333.db2.gz OHXPUOZJFRUZRW-NQBHXWOUSA-N 1 3 226.364 1.471 20 0 BDADHO Nc1ncccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000629529010 361138174 /nfs/dbraw/zinc/13/81/74/361138174.db2.gz PEZRNLCYZLHMOY-LLVKDONJSA-N 1 3 234.347 1.225 20 0 BDADHO Cc1cncc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000629532019 361150060 /nfs/dbraw/zinc/15/00/60/361150060.db2.gz INDIATFWWOWLGR-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO Nc1ncccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629532638 361153892 /nfs/dbraw/zinc/15/38/92/361153892.db2.gz KQUKBXRURQUJLV-TXEJJXNPSA-N 1 3 246.358 1.095 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)F ZINC000631217247 361170379 /nfs/dbraw/zinc/17/03/79/361170379.db2.gz WCFFVUREZRFCKP-GMTAPVOTSA-N 1 3 248.317 1.219 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)F ZINC000631217247 361170382 /nfs/dbraw/zinc/17/03/82/361170382.db2.gz WCFFVUREZRFCKP-GMTAPVOTSA-N 1 3 248.317 1.219 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000428488171 201023814 /nfs/dbraw/zinc/02/38/14/201023814.db2.gz YZRCUVPLCXPJRV-MNOVXSKESA-N 1 3 241.379 1.138 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]CC[C@H](C)N)C1 ZINC000622044519 370677430 /nfs/dbraw/zinc/67/74/30/370677430.db2.gz JAWHPTUBKKXMET-AXFHLTTASA-N 1 3 200.326 1.271 20 0 BDADHO CC1CC(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000622044902 370678640 /nfs/dbraw/zinc/67/86/40/370678640.db2.gz XECKGQKZDCAZKQ-ACDMLXGOSA-N 1 3 208.349 1.905 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+]CC[C@H](C)N)CCO1 ZINC000622045145 370678897 /nfs/dbraw/zinc/67/88/97/370678897.db2.gz DCGZYSXKMWIVIO-QJPTWQEYSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000622045678 370679496 /nfs/dbraw/zinc/67/94/96/370679496.db2.gz NQAQZRPLRNQSPN-UWVGGRQHSA-N 1 3 200.326 1.128 20 0 BDADHO CCC[C@](C)(N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428307178 201008381 /nfs/dbraw/zinc/00/83/81/201008381.db2.gz SFWAGJYMWZZQQT-AWEZNQCLSA-N 1 3 249.358 1.862 20 0 BDADHO NC1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCC1 ZINC000295287558 181329440 /nfs/dbraw/zinc/32/94/40/181329440.db2.gz WSVRFVKDZCLZFL-UHFFFAOYSA-N 1 3 245.326 1.152 20 0 BDADHO NC1(C[NH2+]CCOc2cccc(F)c2)CCC1 ZINC000342169749 181331869 /nfs/dbraw/zinc/33/18/69/181331869.db2.gz QATCPOYFDNHMSF-UHFFFAOYSA-N 1 3 238.306 1.676 20 0 BDADHO CCC[C@H](C)CCC[N@H+](C)C[C@@H](O)CN ZINC000629539181 361405232 /nfs/dbraw/zinc/40/52/32/361405232.db2.gz VPESFBSPBNNEGB-RYUDHWBXSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@H](C)CCC[N@@H+](C)C[C@@H](O)CN ZINC000629539181 361405236 /nfs/dbraw/zinc/40/52/36/361405236.db2.gz VPESFBSPBNNEGB-RYUDHWBXSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@H](C)CCCN(C)C[C@@H](O)C[NH3+] ZINC000629539181 361405241 /nfs/dbraw/zinc/40/52/41/361405241.db2.gz VPESFBSPBNNEGB-RYUDHWBXSA-N 1 3 216.369 1.454 20 0 BDADHO [NH3+]CCCOCCN[C@H]1CCc2ccccc21 ZINC000629536493 361398993 /nfs/dbraw/zinc/39/89/93/361398993.db2.gz FLKQTSBCGLQMEI-AWEZNQCLSA-N 1 3 234.343 1.629 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NCCOC1CCOCC1 ZINC000629537739 361400882 /nfs/dbraw/zinc/40/08/82/361400882.db2.gz QJJJWEKVCQRSKB-GFCCVEGCSA-N 1 3 244.379 1.145 20 0 BDADHO COCC1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629535626 361410016 /nfs/dbraw/zinc/41/00/16/361410016.db2.gz CPZPNEXHMWENMU-RYSNWHEDSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629545041 361424300 /nfs/dbraw/zinc/42/43/00/361424300.db2.gz AMENRGXJWPAFKD-RUZUBIRVSA-N 1 3 238.375 1.532 20 0 BDADHO C[NH+](C)C1CCC(NCc2ccon2)CC1 ZINC000309914368 491158115 /nfs/dbraw/zinc/15/81/15/491158115.db2.gz OLNJOXASNHIBPT-UHFFFAOYSA-N 1 3 223.320 1.637 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629546755 361428673 /nfs/dbraw/zinc/42/86/73/361428673.db2.gz HHIPOHBAVPYTQE-RNJOBUHISA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CO[C@H](C2CC2)C1 ZINC000629546755 361428675 /nfs/dbraw/zinc/42/86/75/361428675.db2.gz HHIPOHBAVPYTQE-RNJOBUHISA-N 1 3 224.348 1.271 20 0 BDADHO C[C@@H]1CN(CCOCC[NH3+])C[C@@H](C)C1(F)F ZINC000629552274 361435785 /nfs/dbraw/zinc/43/57/85/361435785.db2.gz GRASXKNWWBAGPK-NXEZZACHSA-N 1 3 236.306 1.185 20 0 BDADHO C[C@@H]1CN(CCC[NH3+])C[C@H](C)C1(F)F ZINC000629552836 361436611 /nfs/dbraw/zinc/43/66/11/361436611.db2.gz RBJBWDQGYMWKHM-DTORHVGOSA-N 1 3 206.280 1.558 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629550056 361443256 /nfs/dbraw/zinc/44/32/56/361443256.db2.gz XIDUDZQARNAHAI-QSFUFRPTSA-N 1 3 212.337 1.269 20 0 BDADHO CN(CCN[C@H]1CCC[C@H]([NH3+])C1)CC(F)F ZINC000629555359 361447640 /nfs/dbraw/zinc/44/76/40/361447640.db2.gz VIXRZCPURKZACI-UWVGGRQHSA-N 1 3 235.322 1.043 20 0 BDADHO CC[C@@H]([NH2+]CCCN(C)C)c1cnn(C)c1 ZINC000151907304 201187676 /nfs/dbraw/zinc/18/76/76/201187676.db2.gz JVDKUPAGIRDUEV-GFCCVEGCSA-N 1 3 224.352 1.413 20 0 BDADHO COCc1ccc(CN[C@H]2CC[C@@H](C[NH3+])C2)o1 ZINC000629649188 361543808 /nfs/dbraw/zinc/54/38/08/361543808.db2.gz LELHQCYIAUEIPD-MNOVXSKESA-N 1 3 238.331 1.643 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCNC12CCC2 ZINC000629650817 361548265 /nfs/dbraw/zinc/54/82/65/361548265.db2.gz FUSMNUZGOHOUMS-NSHDSACASA-N 1 3 226.364 1.533 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740577 541307272 /nfs/dbraw/zinc/30/72/72/541307272.db2.gz CAWDIWCTQFFDTI-LBELIVKGSA-N 1 3 224.348 1.556 20 0 BDADHO CCC[C@@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608222 364334629 /nfs/dbraw/zinc/33/46/29/364334629.db2.gz WBIVCLKEUPBUSQ-GFCCVEGCSA-N 1 3 245.330 1.526 20 0 BDADHO CC(C)(C)[C@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605957 364337073 /nfs/dbraw/zinc/33/70/73/364337073.db2.gz RDWIYCANELXZSC-MWLCHTKSSA-N 1 3 237.351 1.076 20 0 BDADHO CC(C)(C)[C@@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605958 364337226 /nfs/dbraw/zinc/33/72/26/364337226.db2.gz RDWIYCANELXZSC-ONGXEEELSA-N 1 3 237.351 1.076 20 0 BDADHO CC(C)(C)[C@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605955 364337712 /nfs/dbraw/zinc/33/77/12/364337712.db2.gz RDWIYCANELXZSC-GXSJLCMTSA-N 1 3 237.351 1.076 20 0 BDADHO CCc1nc(CN[C@@H](C)CCC[NH3+])cs1 ZINC000336887219 364788527 /nfs/dbraw/zinc/78/85/27/364788527.db2.gz IBHABEWGOQHTBS-VIFPVBQESA-N 1 3 227.377 1.923 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000328317586 364826459 /nfs/dbraw/zinc/82/64/59/364826459.db2.gz CVZLSHZRIXVGMF-MCIONIFRSA-N 1 3 238.375 1.223 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624031 364877882 /nfs/dbraw/zinc/87/78/82/364877882.db2.gz HUNOTZJMADKSIZ-FDYHWXHSSA-N 1 3 226.364 1.397 20 0 BDADHO CNCc1ccccc1NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000573723929 364902562 /nfs/dbraw/zinc/90/25/62/364902562.db2.gz HGZOSLYYLOVMKU-JQWIXIFHSA-N 1 3 247.342 1.343 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)[C@H](C)O)C1 ZINC000573914375 364943864 /nfs/dbraw/zinc/94/38/64/364943864.db2.gz ZUUZRLAKCDFDRH-HZSPNIEDSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000573914375 364943868 /nfs/dbraw/zinc/94/38/68/364943868.db2.gz ZUUZRLAKCDFDRH-HZSPNIEDSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)[C@H](C)O)C1 ZINC000573914375 364943871 /nfs/dbraw/zinc/94/38/71/364943871.db2.gz ZUUZRLAKCDFDRH-HZSPNIEDSA-N 1 3 242.407 1.713 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000574392834 365051291 /nfs/dbraw/zinc/05/12/91/365051291.db2.gz IGWNIZULSMMUDJ-YFKTTZPYSA-N 1 3 214.353 1.218 20 0 BDADHO C[C@H](O)[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000574392834 365051295 /nfs/dbraw/zinc/05/12/95/365051295.db2.gz IGWNIZULSMMUDJ-YFKTTZPYSA-N 1 3 214.353 1.218 20 0 BDADHO O[C@H]1CCCC[C@@H]1CN1CCC2(CC[NH2+]2)CC1 ZINC000574643917 365110815 /nfs/dbraw/zinc/11/08/15/365110815.db2.gz CQXATUXQYCLENY-OLZOCXBDSA-N 1 3 238.375 1.365 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOC[C@H]1CCCO1 ZINC000575060263 365182493 /nfs/dbraw/zinc/18/24/93/365182493.db2.gz ARJWHJYZKZGABV-CHWSQXEVSA-N 1 3 244.379 1.145 20 0 BDADHO CCN(CC)CCC[N@H+](C)CC(C)(C)O ZINC000171940774 365257259 /nfs/dbraw/zinc/25/72/59/365257259.db2.gz CLXMTLJGHZDENT-UHFFFAOYSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CC(C)(C)O ZINC000171940774 365257263 /nfs/dbraw/zinc/25/72/63/365257263.db2.gz CLXMTLJGHZDENT-UHFFFAOYSA-N 1 3 216.369 1.421 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243502 365267802 /nfs/dbraw/zinc/26/78/02/365267802.db2.gz ANUQXCLPVPKKND-VPOLOUISSA-N 1 3 206.289 1.605 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000575850664 365384668 /nfs/dbraw/zinc/38/46/68/365384668.db2.gz NBZWLELWPLDBJG-NEPJUHHUSA-N 1 3 214.353 1.248 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)[C@@H](C)O1 ZINC000384749391 367726296 /nfs/dbraw/zinc/72/62/96/367726296.db2.gz MNIXROADKXUCFV-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2)[C@@H](C)O1 ZINC000384749391 367726300 /nfs/dbraw/zinc/72/63/00/367726300.db2.gz MNIXROADKXUCFV-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962690 367766753 /nfs/dbraw/zinc/76/67/53/367766753.db2.gz SIFVIQTYQHNOGB-MQYQWHSLSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962690 367766758 /nfs/dbraw/zinc/76/67/58/367766758.db2.gz SIFVIQTYQHNOGB-MQYQWHSLSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384962690 367766765 /nfs/dbraw/zinc/76/67/65/367766765.db2.gz SIFVIQTYQHNOGB-MQYQWHSLSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CCCOCC2)C[NH2+]1 ZINC000399219213 367907837 /nfs/dbraw/zinc/90/78/37/367907837.db2.gz JZQWGZSWKVCCEK-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](CCCO)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386066885 367908375 /nfs/dbraw/zinc/90/83/75/367908375.db2.gz YSWSZXKZAQTCKQ-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@H]2CCCOCC2)C[NH2+]1 ZINC000399219207 367908552 /nfs/dbraw/zinc/90/85/52/367908552.db2.gz JZQWGZSWKVCCEK-GRYCIOLGSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](NCCC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386067034 367908695 /nfs/dbraw/zinc/90/86/95/367908695.db2.gz YTROQXNWEAALTJ-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NCC1(N(C)C)CCC1)[C@H]1CCCC[NH2+]1 ZINC000385991378 367893776 /nfs/dbraw/zinc/89/37/76/367893776.db2.gz JCVLKBVQTPPIPD-QWHCGFSZSA-N 1 3 239.407 1.591 20 0 BDADHO CCN(CCN[C@H](C)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000386012161 367896943 /nfs/dbraw/zinc/89/69/43/367896943.db2.gz MVKMNGJPNPTNDX-OCCSQVGLSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386036822 367901531 /nfs/dbraw/zinc/90/15/31/367901531.db2.gz RVJYPWFCLFLZBD-OBJOEFQTSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000386036826 367902219 /nfs/dbraw/zinc/90/22/19/367902219.db2.gz RVJYPWFCLFLZBD-OUCADQQQSA-N 1 3 237.391 1.343 20 0 BDADHO CC(C)N(C)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386620918 368002706 /nfs/dbraw/zinc/00/27/06/368002706.db2.gz YEGPHOPVBTWZRV-QWHCGFSZSA-N 1 3 227.396 1.447 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000087668302 367962946 /nfs/dbraw/zinc/96/29/46/367962946.db2.gz YZFXFIXNIHVMIP-MXWKQRLJSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCS2)C1 ZINC000087668302 367962948 /nfs/dbraw/zinc/96/29/48/367962948.db2.gz YZFXFIXNIHVMIP-MXWKQRLJSA-N 1 3 214.378 1.742 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC000399255644 368047886 /nfs/dbraw/zinc/04/78/86/368047886.db2.gz ZRWMARUUHFEZHX-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000566423168 326044268 /nfs/dbraw/zinc/04/42/68/326044268.db2.gz BZAKABKPWMNPFX-IJLUTSLNSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1C[C@@H](O)C1(C)C ZINC000566423168 326044272 /nfs/dbraw/zinc/04/42/72/326044272.db2.gz BZAKABKPWMNPFX-IJLUTSLNSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@@H](O)C1(C)C ZINC000566423168 326044274 /nfs/dbraw/zinc/04/42/74/326044274.db2.gz BZAKABKPWMNPFX-IJLUTSLNSA-N 1 3 226.364 1.220 20 0 BDADHO CN1CCC(O)(C[NH2+]Cc2ccccc2)CC1 ZINC000059161683 368529610 /nfs/dbraw/zinc/52/96/10/368529610.db2.gz IHMPBXXUNSHPEE-UHFFFAOYSA-N 1 3 234.343 1.233 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@@H](C)[C@H](C[NH3+])C2)O1 ZINC000253196852 368613198 /nfs/dbraw/zinc/61/31/98/368613198.db2.gz UDXGIRJMVKRDEN-FDYHWXHSSA-N 1 3 226.364 1.471 20 0 BDADHO [NH3+]CCCCNCc1cccc(F)c1F ZINC000082522975 368691545 /nfs/dbraw/zinc/69/15/45/368691545.db2.gz VJQBQVLVABRHFH-UHFFFAOYSA-N 1 3 214.259 1.793 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCC(F)(F)F)C1 ZINC000086404109 368879613 /nfs/dbraw/zinc/87/96/13/368879613.db2.gz IGXXCVZVMMIRID-SFYZADRCSA-N 1 3 210.243 1.798 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402437 368879814 /nfs/dbraw/zinc/87/98/14/368879814.db2.gz SYKHXYBZILOQOR-STQMWFEESA-N 1 3 226.364 1.663 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOC2CCCC2)C1 ZINC000086404268 368881395 /nfs/dbraw/zinc/88/13/95/368881395.db2.gz BZYOZARDSSUSDY-VXGBXAGGSA-N 1 3 226.364 1.805 20 0 BDADHO C[N@@H+]1CCCC[C@@H](CNCC2=CCCOC2)C1 ZINC000623655648 368992043 /nfs/dbraw/zinc/99/20/43/368992043.db2.gz BBHLJHBIVXEUAQ-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO C[N@H+]1CCCC[C@@H](CNCC2=CCCOC2)C1 ZINC000623655648 368992052 /nfs/dbraw/zinc/99/20/52/368992052.db2.gz BBHLJHBIVXEUAQ-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]CC2=CCCOC2)C1 ZINC000623655648 368992062 /nfs/dbraw/zinc/99/20/62/368992062.db2.gz BBHLJHBIVXEUAQ-ZDUSSCGKSA-N 1 3 238.375 1.655 20 0 BDADHO CNC[C@](C)(O)C[NH+]1CCC(CCF)CC1 ZINC000631837206 369090262 /nfs/dbraw/zinc/09/02/62/369090262.db2.gz OTBCMNVSLGCSOG-LBPRGKRZSA-N 1 3 232.343 1.028 20 0 BDADHO C[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000459395649 203273704 /nfs/dbraw/zinc/27/37/04/203273704.db2.gz BIOQTTJBFYCJEW-UPJWGTAASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459395649 203273707 /nfs/dbraw/zinc/27/37/07/203273707.db2.gz BIOQTTJBFYCJEW-UPJWGTAASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459395649 203273710 /nfs/dbraw/zinc/27/37/10/203273710.db2.gz BIOQTTJBFYCJEW-UPJWGTAASA-N 1 3 240.391 1.610 20 0 BDADHO C=Cn1cc(CNCC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459730621 203344465 /nfs/dbraw/zinc/34/44/65/203344465.db2.gz DYTGEEMTWZGEBY-CYBMUJFWSA-N 1 3 248.374 1.805 20 0 BDADHO C=Cn1cc(CNCC[C@H]2CCC[N@H+](C)C2)cn1 ZINC000459730621 203344470 /nfs/dbraw/zinc/34/44/70/203344470.db2.gz DYTGEEMTWZGEBY-CYBMUJFWSA-N 1 3 248.374 1.805 20 0 BDADHO COCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889629 326277061 /nfs/dbraw/zinc/27/70/61/326277061.db2.gz DHYKJGONSFGWRK-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO COCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567889629 326277062 /nfs/dbraw/zinc/27/70/62/326277062.db2.gz DHYKJGONSFGWRK-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO COCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000567889629 326277064 /nfs/dbraw/zinc/27/70/64/326277064.db2.gz DHYKJGONSFGWRK-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CN(CC)CC ZINC000066124916 370552631 /nfs/dbraw/zinc/55/26/31/370552631.db2.gz QRJMJQBIEBTNHT-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CN(CC)CC ZINC000066124916 370552635 /nfs/dbraw/zinc/55/26/35/370552635.db2.gz QRJMJQBIEBTNHT-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO COc1ccc(C[NH2+][C@@](C)(CN)C2CC2)cn1 ZINC000621775803 370523227 /nfs/dbraw/zinc/52/32/27/370523227.db2.gz ZFJWNHAYPZGZMS-ZDUSSCGKSA-N 1 3 235.331 1.307 20 0 BDADHO [NH3+][C@@]12CCC[C@@H]1CN(CCC1CCC1)C2 ZINC000621783437 370533462 /nfs/dbraw/zinc/53/34/62/370533462.db2.gz BLBYCVNFZMQEIT-CHWSQXEVSA-N 1 3 208.349 1.990 20 0 BDADHO CC1(C)COC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000313012537 370562295 /nfs/dbraw/zinc/56/22/95/370562295.db2.gz BDAIFBALGGYUHV-DCAQKATOSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)[C@@H]1CCCNC1 ZINC000568856563 326379433 /nfs/dbraw/zinc/37/94/33/326379433.db2.gz XGGCWQYMVJIXDX-WHOHXGKFSA-N 1 3 214.328 1.855 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000623824042 371108231 /nfs/dbraw/zinc/10/82/31/371108231.db2.gz VMGYQAGMNXPKJI-IGQOVBAYSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CCCCO1 ZINC000623968217 371203378 /nfs/dbraw/zinc/20/33/78/371203378.db2.gz XWKOJMYWFOHJLM-CHWSQXEVSA-N 1 3 244.379 1.112 20 0 BDADHO CC1(F)CC(N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000572855790 326413683 /nfs/dbraw/zinc/41/36/83/326413683.db2.gz MIJUYPQHFHOVFS-SAAXCQNUSA-N 1 3 200.301 1.737 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CCOC1 ZINC000624120538 371321206 /nfs/dbraw/zinc/32/12/06/371321206.db2.gz BKGAUVXZRUMSKN-IHRRRGAJSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C(C)C ZINC000624121030 371321400 /nfs/dbraw/zinc/32/14/00/371321400.db2.gz MCFQJCHQSUYFLK-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000132896709 371945201 /nfs/dbraw/zinc/94/52/01/371945201.db2.gz KMJXAOFCGPTFJH-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H]2C)CC[C@@H]1N ZINC000631824806 372603513 /nfs/dbraw/zinc/60/35/13/372603513.db2.gz QTTPCWQSEHPCJK-NDBYEHHHSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)CC[C@@H]1N ZINC000631824806 372603518 /nfs/dbraw/zinc/60/35/18/372603518.db2.gz QTTPCWQSEHPCJK-NDBYEHHHSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCO[C@@H]2C)CC[C@@H]1[NH3+] ZINC000631824806 372603524 /nfs/dbraw/zinc/60/35/24/372603524.db2.gz QTTPCWQSEHPCJK-NDBYEHHHSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000631827983 372609136 /nfs/dbraw/zinc/60/91/36/372609136.db2.gz BHTGVOBNCRJMJN-XHJNMGKDSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000631827983 372609139 /nfs/dbraw/zinc/60/91/39/372609139.db2.gz BHTGVOBNCRJMJN-XHJNMGKDSA-N 1 3 240.391 1.717 20 0 BDADHO Cc1nccnc1CN1CCC(CC[NH3+])CC1 ZINC000631829200 372611271 /nfs/dbraw/zinc/61/12/71/372611271.db2.gz JTJVCHSHYSWGQM-UHFFFAOYSA-N 1 3 234.347 1.346 20 0 BDADHO COCc1cccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631838891 372633295 /nfs/dbraw/zinc/63/32/95/372633295.db2.gz WNLLCTYAIKEGJR-IUODEOHRSA-N 1 3 248.370 1.860 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCCC[C@@H]1CCN ZINC000631826398 372606092 /nfs/dbraw/zinc/60/60/92/372606092.db2.gz MMQQCWBYTCLTFW-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@@H]1CCN ZINC000631826398 372606097 /nfs/dbraw/zinc/60/60/97/372606097.db2.gz MMQQCWBYTCLTFW-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO CC1(C)CC(CN2CCC([NH2+]CCO)CC2)C1 ZINC000631862060 372663289 /nfs/dbraw/zinc/66/32/89/372663289.db2.gz KYLRYDDRVPDDIJ-UHFFFAOYSA-N 1 3 240.391 1.469 20 0 BDADHO FC(F)[C@H]1CCN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000631866178 372666801 /nfs/dbraw/zinc/66/68/01/372666801.db2.gz UWQPDUWVMNFGTL-GHMZBOCLSA-N 1 3 248.317 1.342 20 0 BDADHO C([NH2+][C@]12CCC[C@@H]1CNC2)C1CCOCC1 ZINC000631867724 372669461 /nfs/dbraw/zinc/66/94/61/372669461.db2.gz GVGPDWQDZUGPPB-OLZOCXBDSA-N 1 3 224.348 1.145 20 0 BDADHO Nc1cccc(CN2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889693 372683662 /nfs/dbraw/zinc/68/36/62/372683662.db2.gz LOZCJTGBPAKXPT-UKRRQHHQSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@@H+]2CCC[C@@H]3CNCC[C@H]32)c1 ZINC000631889693 372683667 /nfs/dbraw/zinc/68/36/67/372683667.db2.gz LOZCJTGBPAKXPT-UKRRQHHQSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@H+]2CCC[C@@H]3CNCC[C@H]32)c1 ZINC000631889693 372683674 /nfs/dbraw/zinc/68/36/74/372683674.db2.gz LOZCJTGBPAKXPT-UKRRQHHQSA-N 1 3 245.370 1.843 20 0 BDADHO CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069016641 373106297 /nfs/dbraw/zinc/10/62/97/373106297.db2.gz MTIIVKRCWLHPJS-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO Cc1nocc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459733370 206014073 /nfs/dbraw/zinc/01/40/73/206014073.db2.gz GNHZFIRJVLADCL-GFCCVEGCSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1nocc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459733370 206014077 /nfs/dbraw/zinc/01/40/77/206014077.db2.gz GNHZFIRJVLADCL-GFCCVEGCSA-N 1 3 237.347 1.805 20 0 BDADHO CC[N@H+](CCNC(=O)[C@@H](N)C(C)(C)C)C(C)C ZINC000167201851 206145201 /nfs/dbraw/zinc/14/52/01/206145201.db2.gz SCUDTHGHXDDVSL-LLVKDONJSA-N 1 3 243.395 1.206 20 0 BDADHO CC[N@@H+](CCNC(=O)[C@@H](N)C(C)(C)C)C(C)C ZINC000167201851 206145206 /nfs/dbraw/zinc/14/52/06/206145206.db2.gz SCUDTHGHXDDVSL-LLVKDONJSA-N 1 3 243.395 1.206 20 0 BDADHO OC1(CN2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000336711313 183019188 /nfs/dbraw/zinc/01/91/88/183019188.db2.gz LZVXKKAWVWOWPK-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO OC1(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CCC1 ZINC000336711313 183019191 /nfs/dbraw/zinc/01/91/91/183019191.db2.gz LZVXKKAWVWOWPK-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO OC1(C[N@H+]2CC[C@H](CN3CCCC3)C2)CCC1 ZINC000336711313 183019196 /nfs/dbraw/zinc/01/91/96/183019196.db2.gz LZVXKKAWVWOWPK-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO CCCN(C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000358567248 169071899 /nfs/dbraw/zinc/07/18/99/169071899.db2.gz PCGPSGSNFRKIDA-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO CCCN(CCOC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748473 169169199 /nfs/dbraw/zinc/16/91/99/169169199.db2.gz ZHFRHFDMAFHROB-FUNVUKJBSA-N 1 3 226.364 1.628 20 0 BDADHO CCC[NH+]1CCC(NCC[C@@H](C)O)CC1 ZINC000082992572 169188258 /nfs/dbraw/zinc/18/82/58/169188258.db2.gz OAPDDKIXWUVEAZ-LLVKDONJSA-N 1 3 214.353 1.221 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295155120 169391490 /nfs/dbraw/zinc/39/14/90/169391490.db2.gz RNBCKQWMLMLHIR-LLVKDONJSA-N 1 3 221.304 1.211 20 0 BDADHO c1ncc(CNCC[C@@H]2CCC[NH2+]C2)s1 ZINC000131614168 383826364 /nfs/dbraw/zinc/82/63/64/383826364.db2.gz RIBWPLMXVNDYRN-JTQLQIEISA-N 1 3 225.361 1.622 20 0 BDADHO CO[C@@H](CNC[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190175 383866175 /nfs/dbraw/zinc/86/61/75/383866175.db2.gz WCYXKMYEFKYLKA-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](C[NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000400190175 383866184 /nfs/dbraw/zinc/86/61/84/383866184.db2.gz WCYXKMYEFKYLKA-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CNC[C@@H](C)C[NH+]1CCCC1)C1CC1 ZINC000400190176 383867005 /nfs/dbraw/zinc/86/70/05/383867005.db2.gz WCYXKMYEFKYLKA-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](C[NH2+]C[C@@H](C)CN1CCCC1)C1CC1 ZINC000400190176 383867010 /nfs/dbraw/zinc/86/70/10/383867010.db2.gz WCYXKMYEFKYLKA-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CN1CC=C(C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000278467006 384001942 /nfs/dbraw/zinc/00/19/42/384001942.db2.gz GJLXZVWYOKWLOH-CYBMUJFWSA-N 1 3 222.332 1.531 20 0 BDADHO COC(=O)CCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000227734946 134386170 /nfs/dbraw/zinc/38/61/70/134386170.db2.gz DLNNWNFMWNJNEC-LLVKDONJSA-N 1 3 230.352 1.245 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000400233467 383943723 /nfs/dbraw/zinc/94/37/23/383943723.db2.gz SXLRCJADUIIUPS-WCQYABFASA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNC[C@@H](OC)C2CC2)C1 ZINC000400233467 383943731 /nfs/dbraw/zinc/94/37/31/383943731.db2.gz SXLRCJADUIIUPS-WCQYABFASA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@H+]1CC[C@@H](CNC[C@@H](OC)C2CC2)C1 ZINC000400233467 383943739 /nfs/dbraw/zinc/94/37/39/383943739.db2.gz SXLRCJADUIIUPS-WCQYABFASA-N 1 3 226.364 1.343 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546758 384017309 /nfs/dbraw/zinc/01/73/09/384017309.db2.gz UNQZLSVPRYLOEF-FRRDWIJNSA-N 1 3 237.391 1.201 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccccc2O)C1 ZINC000518564396 384012016 /nfs/dbraw/zinc/01/20/16/384012016.db2.gz OCHCPCGKGAKXFA-CHWSQXEVSA-N 1 3 234.343 1.794 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564396 384012020 /nfs/dbraw/zinc/01/20/20/384012020.db2.gz OCHCPCGKGAKXFA-CHWSQXEVSA-N 1 3 234.343 1.794 20 0 BDADHO CCSCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163141583 384012548 /nfs/dbraw/zinc/01/25/48/384012548.db2.gz JJZAOMFPFCVFCV-NXEZZACHSA-N 1 3 202.367 1.409 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccccc2O)C1 ZINC000518564398 384013082 /nfs/dbraw/zinc/01/30/82/384013082.db2.gz OCHCPCGKGAKXFA-QWHCGFSZSA-N 1 3 234.343 1.794 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564398 384013088 /nfs/dbraw/zinc/01/30/88/384013088.db2.gz OCHCPCGKGAKXFA-QWHCGFSZSA-N 1 3 234.343 1.794 20 0 BDADHO C[C@@H](Cn1cccn1)NCc1ccc(C[NH3+])cc1 ZINC000564973679 384052161 /nfs/dbraw/zinc/05/21/61/384052161.db2.gz ODTRRLXYPOUEQW-LBPRGKRZSA-N 1 3 244.342 1.520 20 0 BDADHO COCCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397326257 384083315 /nfs/dbraw/zinc/08/33/15/384083315.db2.gz ORZUOLYBNOORSX-AVGNSLFASA-N 1 3 228.380 1.718 20 0 BDADHO COCCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397326257 384083319 /nfs/dbraw/zinc/08/33/19/384083319.db2.gz ORZUOLYBNOORSX-AVGNSLFASA-N 1 3 228.380 1.718 20 0 BDADHO COCCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397326257 384083322 /nfs/dbraw/zinc/08/33/22/384083322.db2.gz ORZUOLYBNOORSX-AVGNSLFASA-N 1 3 228.380 1.718 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1CCO[C@@H]1C ZINC000227833743 134390070 /nfs/dbraw/zinc/39/00/70/134390070.db2.gz YYTOYVZTUAUONB-MXWKQRLJSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@@H](C[NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000237375416 384159110 /nfs/dbraw/zinc/15/91/10/384159110.db2.gz RYDMLZGTKWVXLF-NSHDSACASA-N 1 3 249.358 1.073 20 0 BDADHO CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040802603 384165217 /nfs/dbraw/zinc/16/52/17/384165217.db2.gz IIOAJCGKAXNRHC-QWHCGFSZSA-N 1 3 249.358 1.143 20 0 BDADHO CN(C)C[C@@H](NC(=O)CCC[NH3+])c1ccccc1 ZINC000040809098 384165481 /nfs/dbraw/zinc/16/54/81/384165481.db2.gz ZBWMIZZDBOBILC-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO C[C@@H](C[NH3+])N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000237461019 384216683 /nfs/dbraw/zinc/21/66/83/384216683.db2.gz VQCXMESXPONEHP-NSHDSACASA-N 1 3 249.358 1.167 20 0 BDADHO Cc1cn[nH]c1CN1CCCC12CC[NH+](C)CC2 ZINC000336605261 384227715 /nfs/dbraw/zinc/22/77/15/384227715.db2.gz WZXOFTXERAHYBP-UHFFFAOYSA-N 1 3 248.374 1.778 20 0 BDADHO NCc1ccccc1OCC[C@@H]1CC[NH2+]C1 ZINC000644168580 384265743 /nfs/dbraw/zinc/26/57/43/384265743.db2.gz KFGOSKCXRRPLCF-NSHDSACASA-N 1 3 220.316 1.524 20 0 BDADHO Cc1ccc(C[N@@H+]2CCCO[C@H](CN)C2)c(C)c1 ZINC000313343434 384274552 /nfs/dbraw/zinc/27/45/52/384274552.db2.gz BSSSAFOTJUPSIL-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1ccc(C[N@H+]2CCCO[C@H](CN)C2)c(C)c1 ZINC000313343434 384274557 /nfs/dbraw/zinc/27/45/57/384274557.db2.gz BSSSAFOTJUPSIL-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000332469100 384316894 /nfs/dbraw/zinc/31/68/94/384316894.db2.gz MPLCQGHZNFPEMD-VXGBXAGGSA-N 1 3 226.364 1.399 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCOC)[C@H](C)C1 ZINC000174782312 384365699 /nfs/dbraw/zinc/36/56/99/384365699.db2.gz JAWICQBOHYXGHG-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCOC)[C@H](C)C1 ZINC000174782312 384365702 /nfs/dbraw/zinc/36/57/02/384365702.db2.gz JAWICQBOHYXGHG-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CO[C@@H](CC(C)C)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000642705284 384413969 /nfs/dbraw/zinc/41/39/69/384413969.db2.gz ILTLNBINXXMAFR-MJBXVCDLSA-N 1 3 240.391 1.541 20 0 BDADHO CO[C@@H](CC(C)C)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000642705284 384413974 /nfs/dbraw/zinc/41/39/74/384413974.db2.gz ILTLNBINXXMAFR-MJBXVCDLSA-N 1 3 240.391 1.541 20 0 BDADHO COCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084216532 384377201 /nfs/dbraw/zinc/37/72/01/384377201.db2.gz DJLQTUGYMOHVGQ-NWDGAFQWSA-N 1 3 214.353 1.520 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccs1 ZINC000084218138 384377557 /nfs/dbraw/zinc/37/75/57/384377557.db2.gz VCYVXUYKJXNTMY-GXSJLCMTSA-N 1 3 210.346 1.965 20 0 BDADHO Cc1csc(CNCC[C@@H]2CC[NH2+]C2)n1 ZINC000084385330 384390994 /nfs/dbraw/zinc/39/09/94/384390994.db2.gz MBYHMMIHECFSRX-JTQLQIEISA-N 1 3 225.361 1.541 20 0 BDADHO C[C@H]1CSC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335660322 384462037 /nfs/dbraw/zinc/46/20/37/384462037.db2.gz CRDMLIOEUPJRPY-JQWIXIFHSA-N 1 3 226.389 1.589 20 0 BDADHO C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176656 384498440 /nfs/dbraw/zinc/49/84/40/384498440.db2.gz SMFIUEYWWOVVBH-WCQYABFASA-N 1 3 238.375 1.770 20 0 BDADHO COCCC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000306055830 384531800 /nfs/dbraw/zinc/53/18/00/384531800.db2.gz UVPXWYUONKXCEG-CABCVRRESA-N 1 3 248.370 1.697 20 0 BDADHO COCCC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000306055830 384531807 /nfs/dbraw/zinc/53/18/07/384531807.db2.gz UVPXWYUONKXCEG-CABCVRRESA-N 1 3 248.370 1.697 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000236712290 384554669 /nfs/dbraw/zinc/55/46/69/384554669.db2.gz ISWFAMIELSFRKH-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000236712290 384554673 /nfs/dbraw/zinc/55/46/73/384554673.db2.gz ISWFAMIELSFRKH-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000151103161 384540086 /nfs/dbraw/zinc/54/00/86/384540086.db2.gz VMTVFTDPBUCSTM-MELADBBJSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H]2CN)n1 ZINC000423086249 384565066 /nfs/dbraw/zinc/56/50/66/384565066.db2.gz MRDATPYGRWYDGZ-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccc(CCN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423086249 384565070 /nfs/dbraw/zinc/56/50/70/384565070.db2.gz MRDATPYGRWYDGZ-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H]2CN)n1 ZINC000423086247 384565890 /nfs/dbraw/zinc/56/58/90/384565890.db2.gz MRDATPYGRWYDGZ-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccc(CCN[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423086247 384565895 /nfs/dbraw/zinc/56/58/95/384565895.db2.gz MRDATPYGRWYDGZ-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423085693 384566629 /nfs/dbraw/zinc/56/66/29/384566629.db2.gz LFDWMKZLRQDSCJ-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)n1 ZINC000423085693 384566636 /nfs/dbraw/zinc/56/66/36/384566636.db2.gz LFDWMKZLRQDSCJ-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[N@@H+]2CCCNCC2)cc1 ZINC000041231928 384707814 /nfs/dbraw/zinc/70/78/14/384707814.db2.gz APGIRYXQBIINQD-UHFFFAOYSA-N 1 3 218.344 1.833 20 0 BDADHO Cc1ccc(CC[N@H+]2CCCNCC2)cc1 ZINC000041231928 384707821 /nfs/dbraw/zinc/70/78/21/384707821.db2.gz APGIRYXQBIINQD-UHFFFAOYSA-N 1 3 218.344 1.833 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000300376597 384715095 /nfs/dbraw/zinc/71/50/95/384715095.db2.gz LWYXLIKNPJKLRU-FRRDWIJNSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182969 384719419 /nfs/dbraw/zinc/71/94/19/384719419.db2.gz MDDODENHYHIVBM-KYXWUPHJSA-N 1 3 236.306 1.251 20 0 BDADHO FCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308452458 384729639 /nfs/dbraw/zinc/72/96/39/384729639.db2.gz CRYZBEVTHKMDRK-PHIMTYICSA-N 1 3 200.301 1.277 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)COC ZINC000053172272 384767116 /nfs/dbraw/zinc/76/71/16/384767116.db2.gz UFHIWULLSXGVSP-LLVKDONJSA-N 1 3 202.342 1.343 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC12CCCC2 ZINC000647553667 384768563 /nfs/dbraw/zinc/76/85/63/384768563.db2.gz GQUJKXPNVNAOBV-GRYCIOLGSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)O1 ZINC000398163901 384823375 /nfs/dbraw/zinc/82/33/75/384823375.db2.gz LTAYRMMKXPPLGP-WRWGMCAJSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)OC ZINC000308577084 384826235 /nfs/dbraw/zinc/82/62/35/384826235.db2.gz NFLYLGPVQCONKN-MXWKQRLJSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[C@@H](C)O1 ZINC000398179711 384831214 /nfs/dbraw/zinc/83/12/14/384831214.db2.gz SBKFKQLHCZBTJM-NDBYEHHHSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423329115 384805320 /nfs/dbraw/zinc/80/53/20/384805320.db2.gz ONTCNTMWCFBINT-SNPRPXQTSA-N 1 3 247.386 1.759 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000220677251 384873641 /nfs/dbraw/zinc/87/36/41/384873641.db2.gz SDAYOXYNBIWXAI-AXFHLTTASA-N 1 3 214.378 1.599 20 0 BDADHO COCCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000423389236 384853785 /nfs/dbraw/zinc/85/37/85/384853785.db2.gz ODIAJXXWABMVJB-SRVKXCTJSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000423398878 384854011 /nfs/dbraw/zinc/85/40/11/384854011.db2.gz PCRXSMZIEMODMQ-LPTSXCQYSA-N 1 3 208.349 1.763 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(F)cc1 ZINC000259039886 384951962 /nfs/dbraw/zinc/95/19/62/384951962.db2.gz PEUFZFDJGKVHHZ-OLZOCXBDSA-N 1 3 222.307 1.838 20 0 BDADHO C[C@@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202330 384901496 /nfs/dbraw/zinc/90/14/96/384901496.db2.gz UTJPLJWCMZFPRH-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202333 384902452 /nfs/dbraw/zinc/90/24/52/384902452.db2.gz UTJPLJWCMZFPRH-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO Cc1ccc(CN2CCC[C@@H](CC[NH3+])C2)nc1 ZINC000156600301 384904921 /nfs/dbraw/zinc/90/49/21/384904921.db2.gz AHPGTKFGQKDJNP-ZDUSSCGKSA-N 1 3 233.359 1.951 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000310238946 384922855 /nfs/dbraw/zinc/92/28/55/384922855.db2.gz LFJCDPTYELTWFZ-MGPQQGTHSA-N 1 3 242.407 1.977 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000336145833 384924486 /nfs/dbraw/zinc/92/44/86/384924486.db2.gz NKWMORNLNRXPAB-TZMCWYRMSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)CN(C)C ZINC000310268679 384933783 /nfs/dbraw/zinc/93/37/83/384933783.db2.gz SBXYUCHXDWQSPT-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000644525459 384936810 /nfs/dbraw/zinc/93/68/10/384936810.db2.gz MHSBWPPNFQSSTB-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](O)CNC[C@H](C)C[NH+]1CCCCC1 ZINC000644525459 384936816 /nfs/dbraw/zinc/93/68/16/384936816.db2.gz MHSBWPPNFQSSTB-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc2c(c1)CCO2 ZINC000258895424 384945519 /nfs/dbraw/zinc/94/55/19/384945519.db2.gz HHEQSMHMZIEOKZ-KGLIPLIRSA-N 1 3 246.354 1.633 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)CN1CCCC1 ZINC000310341337 384992647 /nfs/dbraw/zinc/99/26/47/384992647.db2.gz MTOQQUSCADXTHP-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@H](C)[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000310341337 384992652 /nfs/dbraw/zinc/99/26/52/384992652.db2.gz MTOQQUSCADXTHP-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H](O)CNC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000644603631 384997065 /nfs/dbraw/zinc/99/70/65/384997065.db2.gz JHANKDQCOYSKHP-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@H](O)CNC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000644603631 384997076 /nfs/dbraw/zinc/99/70/76/384997076.db2.gz JHANKDQCOYSKHP-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000644603631 384997089 /nfs/dbraw/zinc/99/70/89/384997089.db2.gz JHANKDQCOYSKHP-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO C(N[C@H]1CC[C@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491435 384999144 /nfs/dbraw/zinc/99/91/44/384999144.db2.gz JQYDPOXPUSZLQU-AGIUHOORSA-N 1 3 224.348 1.143 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCc1cccnc1 ZINC000404779044 385056392 /nfs/dbraw/zinc/05/63/92/385056392.db2.gz MMTLHIAGJGTHDP-RYUDHWBXSA-N 1 3 219.332 1.340 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000336678667 385073745 /nfs/dbraw/zinc/07/37/45/385073745.db2.gz BYQDXTXHYWMFDI-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)OCCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404837645 385096408 /nfs/dbraw/zinc/09/64/08/385096408.db2.gz APWGEORPXGEIEA-WDEREUQCSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)OCCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404837642 385096553 /nfs/dbraw/zinc/09/65/53/385096553.db2.gz APWGEORPXGEIEA-GHMZBOCLSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)COCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404836770 385097397 /nfs/dbraw/zinc/09/73/97/385097397.db2.gz AKQMSWIUAOJLRI-GHMZBOCLSA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)COCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000404836770 385097404 /nfs/dbraw/zinc/09/74/04/385097404.db2.gz AKQMSWIUAOJLRI-GHMZBOCLSA-N 1 3 214.353 1.374 20 0 BDADHO CC1(C)COC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313014943 385148888 /nfs/dbraw/zinc/14/88/88/385148888.db2.gz WZUUOYDAZPPBIS-AGIUHOORSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)COC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313014943 385148892 /nfs/dbraw/zinc/14/88/92/385148892.db2.gz WZUUOYDAZPPBIS-AGIUHOORSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)COC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000313015051 385152567 /nfs/dbraw/zinc/15/25/67/385152567.db2.gz XIERRFYCDIXSRX-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000227608488 385171031 /nfs/dbraw/zinc/17/10/31/385171031.db2.gz UOKFLBPNPGMUNE-RQJABVFESA-N 1 3 240.391 1.645 20 0 BDADHO Cc1noc(C)c1CN1CCC([C@H](C)[NH3+])CC1 ZINC000110644265 385173545 /nfs/dbraw/zinc/17/35/45/385173545.db2.gz HOCDQCKICOIWGC-VIFPVBQESA-N 1 3 237.347 1.851 20 0 BDADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000165953763 385211306 /nfs/dbraw/zinc/21/13/06/385211306.db2.gz QHCXMEOCGUUYGZ-LLVKDONJSA-N 1 3 249.358 1.102 20 0 BDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000165953763 385211313 /nfs/dbraw/zinc/21/13/13/385211313.db2.gz QHCXMEOCGUUYGZ-LLVKDONJSA-N 1 3 249.358 1.102 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000300233810 385298865 /nfs/dbraw/zinc/29/88/65/385298865.db2.gz RQUBEKBRZFNOQO-SDDRHHMPSA-N 1 3 228.380 1.501 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000300233811 385299847 /nfs/dbraw/zinc/29/98/47/385299847.db2.gz RQUBEKBRZFNOQO-SRVKXCTJSA-N 1 3 228.380 1.501 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000335359390 385349525 /nfs/dbraw/zinc/34/95/25/385349525.db2.gz PXTRGXKFKDGMAB-GFCCVEGCSA-N 1 3 224.348 1.405 20 0 BDADHO CN1C[C@H]2[C@@H](CC[N@@H+]2CC[C@@H]2CCCN2C)C1 ZINC000644736031 385370643 /nfs/dbraw/zinc/37/06/43/385370643.db2.gz HQXNIVBQIYDOBU-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO CN1C[C@H]2[C@@H](CC[N@H+]2CC[C@@H]2CCCN2C)C1 ZINC000644736031 385370645 /nfs/dbraw/zinc/37/06/45/385370645.db2.gz HQXNIVBQIYDOBU-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405307338 385466931 /nfs/dbraw/zinc/46/69/31/385466931.db2.gz LKHIZRZWYFGNEF-NXEZZACHSA-N 1 3 200.326 1.127 20 0 BDADHO CC(C)OCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000405307338 385466934 /nfs/dbraw/zinc/46/69/34/385466934.db2.gz LKHIZRZWYFGNEF-NXEZZACHSA-N 1 3 200.326 1.127 20 0 BDADHO CC(C)CCOCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405315203 385482876 /nfs/dbraw/zinc/48/28/76/385482876.db2.gz OYJSJGZANMMTTF-NWDGAFQWSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CCOCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000405315203 385482877 /nfs/dbraw/zinc/48/28/77/385482877.db2.gz OYJSJGZANMMTTF-NWDGAFQWSA-N 1 3 228.380 1.765 20 0 BDADHO CCCCOCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645434 385625283 /nfs/dbraw/zinc/62/52/83/385625283.db2.gz IDMIUYIQHQEQPD-CHWSQXEVSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H](N)[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645561 385626631 /nfs/dbraw/zinc/62/66/31/385626631.db2.gz HZUHCUBNNLRXTF-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H](N)[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645561 385626635 /nfs/dbraw/zinc/62/66/35/385626635.db2.gz HZUHCUBNNLRXTF-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@]1(CN)CC[N@H+](CCCCCF)C1 ZINC000336681933 385637857 /nfs/dbraw/zinc/63/78/57/385637857.db2.gz HUPLCGRLVFLPMU-LLVKDONJSA-N 1 3 202.317 1.797 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CCCCCF)C1 ZINC000336681933 385637861 /nfs/dbraw/zinc/63/78/61/385637861.db2.gz HUPLCGRLVFLPMU-LLVKDONJSA-N 1 3 202.317 1.797 20 0 BDADHO C1CC1[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000414867944 385807713 /nfs/dbraw/zinc/80/77/13/385807713.db2.gz GWADUQOHISSVEP-UPJWGTAASA-N 1 3 208.349 1.907 20 0 BDADHO C[NH2+][C@H](C)CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000261681363 385826692 /nfs/dbraw/zinc/82/66/92/385826692.db2.gz HOGBHBHQTYRSJS-MDZLAQPJSA-N 1 3 249.358 1.047 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647804001 385841579 /nfs/dbraw/zinc/84/15/79/385841579.db2.gz HLMUSQZWBCTQQN-GAURVVSWSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@H](CN[C@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000336706844 385793915 /nfs/dbraw/zinc/79/39/15/385793915.db2.gz ROIXCXGSXWIGTA-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000336656790 385794199 /nfs/dbraw/zinc/79/41/99/385794199.db2.gz MCIMHNARHSTRLR-SYQHCUMBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000336706843 385794408 /nfs/dbraw/zinc/79/44/08/385794408.db2.gz ROIXCXGSXWIGTA-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000414963468 385898391 /nfs/dbraw/zinc/89/83/91/385898391.db2.gz XNEXHEDZXKEIPV-DGAVXFQQSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc(-n2ccnc2)cc1 ZINC000414877733 385929660 /nfs/dbraw/zinc/92/96/60/385929660.db2.gz NDAJTKREWLJPJN-LBPRGKRZSA-N 1 3 244.342 1.557 20 0 BDADHO Cc1nc2ccccn2c1CNC[C@H](C)C[NH3+] ZINC000414877329 385920554 /nfs/dbraw/zinc/92/05/54/385920554.db2.gz MKTDXSNHFLHSKR-SNVBAGLBSA-N 1 3 232.331 1.327 20 0 BDADHO C[C@@]1(CN2CCN3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250815483 385927206 /nfs/dbraw/zinc/92/72/06/385927206.db2.gz WVLSQKIHKONWAE-UONOGXRCSA-N 1 3 237.391 1.156 20 0 BDADHO C[C@H](C(=O)NCC(C)(C)[NH3+])[C@@H](N)c1ccccc1 ZINC000262651032 385870417 /nfs/dbraw/zinc/87/04/17/385870417.db2.gz VGXPHAQGIJWXOT-CMPLNLGQSA-N 1 3 249.358 1.176 20 0 BDADHO CCC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295155123 385981941 /nfs/dbraw/zinc/98/19/41/385981941.db2.gz RNBCKQWMLMLHIR-NSHDSACASA-N 1 3 221.304 1.211 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039008 385931691 /nfs/dbraw/zinc/93/16/91/385931691.db2.gz KCHMVBHZAPESJR-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NC1CC1 ZINC000335043750 385935826 /nfs/dbraw/zinc/93/58/26/385935826.db2.gz WVHUKJYJTQSQON-HIFRSBDPSA-N 1 3 244.338 1.994 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000295002674 385940778 /nfs/dbraw/zinc/94/07/78/385940778.db2.gz IIBDYMZBUXIKPR-SNVBAGLBSA-N 1 3 247.342 1.398 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000335012179 385968257 /nfs/dbraw/zinc/96/82/57/385968257.db2.gz WYJPZTDUSNHNNM-NEPJUHHUSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000335012179 385968261 /nfs/dbraw/zinc/96/82/61/385968261.db2.gz WYJPZTDUSNHNNM-NEPJUHHUSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@H]([NH2+]C1CCC2(CC2)CC1)C1CNC1 ZINC000335012347 385968503 /nfs/dbraw/zinc/96/85/03/385968503.db2.gz YHAWHHDLVGHFIF-JTQLQIEISA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]([NH2+]C1CCC2(CC2)CC1)C1CNC1 ZINC000335012350 385969706 /nfs/dbraw/zinc/96/97/06/385969706.db2.gz YHAWHHDLVGHFIF-SNVBAGLBSA-N 1 3 208.349 1.907 20 0 BDADHO CSCCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334455853 386109444 /nfs/dbraw/zinc/10/94/44/386109444.db2.gz GPAULNKVYCHIJN-GFCCVEGCSA-N 1 3 228.405 1.767 20 0 BDADHO CSCCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334455853 386109449 /nfs/dbraw/zinc/10/94/49/386109449.db2.gz GPAULNKVYCHIJN-GFCCVEGCSA-N 1 3 228.405 1.767 20 0 BDADHO C[C@@H](C[NH3+])C(=O)Nc1cccc(CN(C)C)c1 ZINC000054338820 386121288 /nfs/dbraw/zinc/12/12/88/386121288.db2.gz VGXNGVOWUSBNRV-JTQLQIEISA-N 1 3 235.331 1.282 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)CN(C)C ZINC000336728388 386070387 /nfs/dbraw/zinc/07/03/87/386070387.db2.gz CMZRNBJJPMQRMH-NEPJUHHUSA-N 1 3 228.380 1.589 20 0 BDADHO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365407091 386083095 /nfs/dbraw/zinc/08/30/95/386083095.db2.gz YYQFKIJQRPGXSJ-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@](C)(O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365407091 386083097 /nfs/dbraw/zinc/08/30/97/386083097.db2.gz YYQFKIJQRPGXSJ-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@@](C)(O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365407091 386083099 /nfs/dbraw/zinc/08/30/99/386083099.db2.gz YYQFKIJQRPGXSJ-KGLIPLIRSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365407092 386083525 /nfs/dbraw/zinc/08/35/25/386083525.db2.gz YYQFKIJQRPGXSJ-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@](C)(O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365407092 386083528 /nfs/dbraw/zinc/08/35/28/386083528.db2.gz YYQFKIJQRPGXSJ-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@](C)(O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000365407092 386083532 /nfs/dbraw/zinc/08/35/32/386083532.db2.gz YYQFKIJQRPGXSJ-UONOGXRCSA-N 1 3 242.407 1.810 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)CCN)CCO1 ZINC000414888541 386096809 /nfs/dbraw/zinc/09/68/09/386096809.db2.gz FGPJBIBYASYWOS-SDDRHHMPSA-N 1 3 214.353 1.519 20 0 BDADHO Cc1cccc(CNC[C@H](C)C[NH3+])c1C ZINC000414892563 386147101 /nfs/dbraw/zinc/14/71/01/386147101.db2.gz XJLQDQHCEHYHTO-SNVBAGLBSA-N 1 3 206.333 1.988 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000414697638 386201217 /nfs/dbraw/zinc/20/12/17/386201217.db2.gz CJTKEZWTOYSOME-IHRRRGAJSA-N 1 3 242.407 1.843 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000414697638 386201220 /nfs/dbraw/zinc/20/12/20/386201220.db2.gz CJTKEZWTOYSOME-IHRRRGAJSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414712355 386230728 /nfs/dbraw/zinc/23/07/28/386230728.db2.gz UAPCHJANKZFCBX-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CN(C)c1ccccc1CN1CC[C@H](C[NH3+])C1 ZINC000347147846 386260497 /nfs/dbraw/zinc/26/04/97/386260497.db2.gz YSCJKSTVAPSGMT-GFCCVEGCSA-N 1 3 233.359 1.533 20 0 BDADHO CC(C)[C@@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000019507301 386237146 /nfs/dbraw/zinc/23/71/46/386237146.db2.gz RSJJNRMPSJRLHM-GFCCVEGCSA-N 1 3 243.395 1.205 20 0 BDADHO CCS[C@H]1CCCC[N@H+](CCCN)C1 ZINC000414698439 386199850 /nfs/dbraw/zinc/19/98/50/386199850.db2.gz QVNUJRRUYNXGBO-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CCS[C@H]1CCCC[N@@H+](CCCN)C1 ZINC000414698439 386199853 /nfs/dbraw/zinc/19/98/53/386199853.db2.gz QVNUJRRUYNXGBO-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CCS[C@H]1CCCCN(CCC[NH3+])C1 ZINC000414698439 386199857 /nfs/dbraw/zinc/19/98/57/386199857.db2.gz QVNUJRRUYNXGBO-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO C[NH2+]CC1CCN(Cc2c(C)n[nH]c2C)CC1 ZINC000347202619 386281761 /nfs/dbraw/zinc/28/17/61/386281761.db2.gz KTUZQMYWNDWPJG-UHFFFAOYSA-N 1 3 236.363 1.458 20 0 BDADHO CC(C)C[C@@H]([NH2+]C(C)C)C(=O)NCCN(C)C ZINC000347217256 386286342 /nfs/dbraw/zinc/28/63/42/386286342.db2.gz ZIYWPEPYOVPWJO-GFCCVEGCSA-N 1 3 243.395 1.077 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000264974101 386289118 /nfs/dbraw/zinc/28/91/18/386289118.db2.gz JDSLLPKUOJHPOL-CQSZACIVSA-N 1 3 233.359 1.508 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000264974101 386289126 /nfs/dbraw/zinc/28/91/26/386289126.db2.gz JDSLLPKUOJHPOL-CQSZACIVSA-N 1 3 233.359 1.508 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCCC2(CCOCC2)C1 ZINC000647885954 386291585 /nfs/dbraw/zinc/29/15/85/386291585.db2.gz SZGYRYAYGJLLAN-ZDUSSCGKSA-N 1 3 238.375 1.489 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000414734440 386298817 /nfs/dbraw/zinc/29/88/17/386298817.db2.gz DWGLUNKDVXNYLK-RDBSUJKOSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000414734438 386299175 /nfs/dbraw/zinc/29/91/75/386299175.db2.gz DWGLUNKDVXNYLK-MJBXVCDLSA-N 1 3 240.391 1.718 20 0 BDADHO CCO[C@@H]1C[C@@H](N(C)C[C@@H]2CC[NH2+]C2)C1(C)C ZINC000647886670 386299379 /nfs/dbraw/zinc/29/93/79/386299379.db2.gz HDTOPBWGMPDFNO-JHJVBQTASA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[C@@H]1CN(C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414737000 386305349 /nfs/dbraw/zinc/30/53/49/386305349.db2.gz ICWVVJNBWRWYQD-RDBSUJKOSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)(C)CN(CCCO)C[C@@H]1CC[NH2+]C1 ZINC000647884465 386264274 /nfs/dbraw/zinc/26/42/74/386264274.db2.gz SXDMRRJAYBQHJL-GFCCVEGCSA-N 1 3 228.380 1.326 20 0 BDADHO CC[C@@H]1c2ccccc2CCN1CCOCC[NH3+] ZINC000647885702 386278164 /nfs/dbraw/zinc/27/81/64/386278164.db2.gz HCFXSQNIZADIEQ-OAHLLOKOSA-N 1 3 248.370 1.971 20 0 BDADHO CO[C@]1(C)C[C@@H](N(C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647890706 386380708 /nfs/dbraw/zinc/38/07/08/386380708.db2.gz HVSCLYQPKLDMRQ-OUCADQQQSA-N 1 3 240.391 1.731 20 0 BDADHO [NH3+]CCCN1CCC([C@@H]2CCCO2)CC1 ZINC000414741960 386327209 /nfs/dbraw/zinc/32/72/09/386327209.db2.gz MTALWMORFSUFQH-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO CC(C)[C@@H](O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000336684007 386329469 /nfs/dbraw/zinc/32/94/69/386329469.db2.gz CPCPPGLJZLPUEB-AWEZNQCLSA-N 1 3 242.407 1.808 20 0 BDADHO CC[C@H]1C[N@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000336719042 386448553 /nfs/dbraw/zinc/44/85/53/386448553.db2.gz RWGOOEUFLKGKFV-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@H]1C[N@@H+](CC[C@@H]2CCCN2C)CCCO1 ZINC000336719042 386448556 /nfs/dbraw/zinc/44/85/56/386448556.db2.gz RWGOOEUFLKGKFV-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@](C)(CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336704254 386392607 /nfs/dbraw/zinc/39/26/07/386392607.db2.gz PTAFEPPPCQQHOD-YNEHKIRRSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336704254 386392609 /nfs/dbraw/zinc/39/26/09/386392609.db2.gz PTAFEPPPCQQHOD-YNEHKIRRSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000336704254 386392612 /nfs/dbraw/zinc/39/26/12/386392612.db2.gz PTAFEPPPCQQHOD-YNEHKIRRSA-N 1 3 226.364 1.364 20 0 BDADHO COC[C@H](CC(C)C)NCC[C@H]1CCC[NH2+]1 ZINC000414908972 386404929 /nfs/dbraw/zinc/40/49/29/386404929.db2.gz SGFYXRKITBFGDF-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461671 386417573 /nfs/dbraw/zinc/41/75/73/386417573.db2.gz ITXSGTHRSHGYMT-RQJABVFESA-N 1 3 240.391 1.658 20 0 BDADHO Cc1cc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)n[nH]1 ZINC000647991319 386421772 /nfs/dbraw/zinc/42/17/72/386421772.db2.gz ZIHIAWJRIIUGAA-GFCCVEGCSA-N 1 3 248.374 1.507 20 0 BDADHO Cc1cc(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)[nH]n1 ZINC000647991319 386421785 /nfs/dbraw/zinc/42/17/85/386421785.db2.gz ZIHIAWJRIIUGAA-GFCCVEGCSA-N 1 3 248.374 1.507 20 0 BDADHO Cc1c(CN2CCC[C@H](CC[NH3+])C2)cnn1C ZINC000093651377 386432828 /nfs/dbraw/zinc/43/28/28/386432828.db2.gz BCMBTFSHZOQWQZ-GFCCVEGCSA-N 1 3 236.363 1.289 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]C[C@H]1CNCCCO1 ZINC000415043957 386528994 /nfs/dbraw/zinc/52/89/94/386528994.db2.gz RSPJLMQDPIJEGR-QWHCGFSZSA-N 1 3 244.379 1.016 20 0 BDADHO C(NC[C@@H]1C[NH2+]CCCO1)C1CCCCCC1 ZINC000415044014 386529206 /nfs/dbraw/zinc/52/92/06/386529206.db2.gz RWOKKNBOLIOBLS-AWEZNQCLSA-N 1 3 240.391 1.925 20 0 BDADHO COc1cccc2c1CC[C@H](N[C@H](C)[C@@H](C)[NH3+])C2 ZINC000415011291 386487405 /nfs/dbraw/zinc/48/74/05/386487405.db2.gz HLQQOGSWCYKBFK-WZRBSPASSA-N 1 3 248.370 1.878 20 0 BDADHO C[NH+]1CCC(NCc2c[nH]c3nccnc23)CC1 ZINC000290958814 386492797 /nfs/dbraw/zinc/49/27/97/386492797.db2.gz VYXKCTIKIWWKIB-UHFFFAOYSA-N 1 3 245.330 1.142 20 0 BDADHO CCN(CC[C@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000339634800 386501645 /nfs/dbraw/zinc/50/16/45/386501645.db2.gz GSSSLGQOLUIGIW-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(CC[C@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000339634800 386501649 /nfs/dbraw/zinc/50/16/49/386501649.db2.gz GSSSLGQOLUIGIW-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)[C@H](C)N ZINC000415016982 386503207 /nfs/dbraw/zinc/50/32/07/386503207.db2.gz OUIOXFHLSWZENS-VHSXEESVSA-N 1 3 232.331 1.399 20 0 BDADHO CCN(CCC[NH+]1CCCCC1)[C@H](C)CO ZINC000339634119 386503649 /nfs/dbraw/zinc/50/36/49/386503649.db2.gz LSHYBUDKHZNDRS-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]C[C@@H]1CNCCCO1 ZINC000415043956 386530027 /nfs/dbraw/zinc/53/00/27/386530027.db2.gz RSPJLMQDPIJEGR-OLZOCXBDSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]CC[C@@H]1CCCN1C ZINC000340371806 386515447 /nfs/dbraw/zinc/51/54/47/386515447.db2.gz QDYOJEIWTKMTRF-OLZOCXBDSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@H](Cn1cccn1)NCC[C@@H]1CCC[N@@H+]1C ZINC000340371806 386515454 /nfs/dbraw/zinc/51/54/54/386515454.db2.gz QDYOJEIWTKMTRF-OLZOCXBDSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@H](Cn1cccn1)NCC[C@@H]1CCC[N@H+]1C ZINC000340371806 386515460 /nfs/dbraw/zinc/51/54/60/386515460.db2.gz QDYOJEIWTKMTRF-OLZOCXBDSA-N 1 3 236.363 1.346 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000331390308 386517872 /nfs/dbraw/zinc/51/78/72/386517872.db2.gz QAXJMZKRIGAFMH-UHTWSYAYSA-N 1 3 248.374 1.515 20 0 BDADHO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc([O-])cc(F)c2)C1 ZINC000415041986 386526693 /nfs/dbraw/zinc/52/66/93/386526693.db2.gz QJCICMZAPHHGPS-BXKDBHETSA-N 1 3 238.306 1.748 20 0 BDADHO Cc1cccc(CCNC[C@]2(C)CC[NH2+]C2)n1 ZINC000415100071 386587443 /nfs/dbraw/zinc/58/74/43/386587443.db2.gz GJFARFMWASEHNZ-AWEZNQCLSA-N 1 3 233.359 1.522 20 0 BDADHO CCn1nccc1C[NH2+][C@H](CN)C1CCCC1 ZINC000415063173 386543665 /nfs/dbraw/zinc/54/36/65/386543665.db2.gz GYDXCEFTWIUXJW-CYBMUJFWSA-N 1 3 236.363 1.510 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]CCCNC1CC1 ZINC000415064439 386545430 /nfs/dbraw/zinc/54/54/30/386545430.db2.gz CNWRFICZGNEGBQ-GFCCVEGCSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1ccccc1C1(NCCOCC[NH3+])CC1 ZINC000647995264 386547034 /nfs/dbraw/zinc/54/70/34/386547034.db2.gz JXGJBUJAHXZPCU-UHFFFAOYSA-N 1 3 234.343 1.549 20 0 BDADHO C[C@H](Cc1ccccc1)CN(C)C[C@H](O)C[NH3+] ZINC000415068008 386550482 /nfs/dbraw/zinc/55/04/82/386550482.db2.gz LXWYNIGBTQBTJK-TZMCWYRMSA-N 1 3 236.359 1.117 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H](C)c1ccccc1 ZINC000415069859 386550618 /nfs/dbraw/zinc/55/06/18/386550618.db2.gz XQRYLJLGGCXITH-WPTOEGHWSA-N 1 3 230.355 1.986 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000415073376 386558989 /nfs/dbraw/zinc/55/89/89/386558989.db2.gz AZQFVKZGOLJJHJ-NWDGAFQWSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1NC1CC[NH2+]CC1 ZINC000415073376 386558991 /nfs/dbraw/zinc/55/89/91/386558991.db2.gz AZQFVKZGOLJJHJ-NWDGAFQWSA-N 1 3 212.337 1.286 20 0 BDADHO CCN1CCCC[C@@H]1CNCC[NH2+]C(C)(C)C ZINC000415075420 386568307 /nfs/dbraw/zinc/56/83/07/386568307.db2.gz FGPZWQIGKXGACU-CYBMUJFWSA-N 1 3 241.423 1.839 20 0 BDADHO COC[C@H]([NH2+]C[C@H](C)CN(C)C)C1CCCC1 ZINC000425919132 386631444 /nfs/dbraw/zinc/63/14/44/386631444.db2.gz IOYZJTVYOVSZIH-JSGCOSHPSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C(N)=O)cc1 ZINC000520230546 386607190 /nfs/dbraw/zinc/60/71/90/386607190.db2.gz TZFZJCAJQLLQSP-NXEZZACHSA-N 1 3 235.331 1.001 20 0 BDADHO C([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)[C@@H]1CCCNC1 ZINC000415091794 386610620 /nfs/dbraw/zinc/61/06/20/386610620.db2.gz QWVXIGOCAXUFGH-XJFOESAGSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414819941 386662041 /nfs/dbraw/zinc/66/20/41/386662041.db2.gz IRTUVLKPOBDHCU-FRRDWIJNSA-N 1 3 236.363 1.249 20 0 BDADHO Cc1c[nH+]ccc1N1CCCN([C@H](C)CO)CC1 ZINC000366513261 386667632 /nfs/dbraw/zinc/66/76/32/386667632.db2.gz ZLUPLRNSXZDDQY-CYBMUJFWSA-N 1 3 249.358 1.283 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000335468309 386685506 /nfs/dbraw/zinc/68/55/06/386685506.db2.gz GNRXSNMYDQYVCQ-LBPRGKRZSA-N 1 3 238.375 1.365 20 0 BDADHO CC(C)(C)[NH2+]CCNC[C@@H](N)c1ccccc1 ZINC000414827127 386688830 /nfs/dbraw/zinc/68/88/30/386688830.db2.gz GPJYTRGUGBNTKH-CYBMUJFWSA-N 1 3 235.375 1.664 20 0 BDADHO CCN1CC[C@@H]([NH2+]CC2(N(C)C)CC2)[C@H](C)C1 ZINC000417382459 386690137 /nfs/dbraw/zinc/69/01/37/386690137.db2.gz OAXFWBBCONEAQH-CHWSQXEVSA-N 1 3 239.407 1.401 20 0 BDADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)[C@H]2CCO[C@H]21 ZINC000414927606 386692332 /nfs/dbraw/zinc/69/23/32/386692332.db2.gz PAGSUEFCBCFNNR-ZOLYEBIHSA-N 1 3 238.375 1.659 20 0 BDADHO C1CC1[C@H]1CCC[C@H]1[NH2+]C1CCNCC1 ZINC000335483601 386712450 /nfs/dbraw/zinc/71/24/50/386712450.db2.gz ORXWETOVCJOJFX-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830824 386708715 /nfs/dbraw/zinc/70/87/15/386708715.db2.gz CMMQJBZXWRIVJE-BJDJZHNGSA-N 1 3 226.364 1.245 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000414830824 386708722 /nfs/dbraw/zinc/70/87/22/386708722.db2.gz CMMQJBZXWRIVJE-BJDJZHNGSA-N 1 3 226.364 1.245 20 0 BDADHO c1cnn(CCN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357068147 386708788 /nfs/dbraw/zinc/70/87/88/386708788.db2.gz DIURBRNFXUNANS-CQSZACIVSA-N 1 3 248.374 1.205 20 0 BDADHO COc1ccc(C[NH2+][C@H](C)CN)cc1Cl ZINC000414929689 386735576 /nfs/dbraw/zinc/73/55/76/386735576.db2.gz OCCDSSNMGMDCRI-MRVPVSSYSA-N 1 3 228.723 1.785 20 0 BDADHO N[C@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834727 386725429 /nfs/dbraw/zinc/72/54/29/386725429.db2.gz QTECQCFNXBTEIV-CHWSQXEVSA-N 1 3 219.332 1.028 20 0 BDADHO C[C@@]1(CN2CCC[C@@H]2CCCO)CC[NH2+]C1 ZINC000340700387 386745597 /nfs/dbraw/zinc/74/55/97/386745597.db2.gz HOSGXFXVJZAZPG-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414930169 386747687 /nfs/dbraw/zinc/74/76/87/386747687.db2.gz SOKNQEGKDBVYEX-MNOVXSKESA-N 1 3 242.363 1.435 20 0 BDADHO Fc1cncc(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414841416 386755718 /nfs/dbraw/zinc/75/57/18/386755718.db2.gz OANGHTKUAPCQIU-LLVKDONJSA-N 1 3 237.322 1.700 20 0 BDADHO C[C@@]1(CN2CCC(CCCO)CC2)CC[NH2+]C1 ZINC000340712747 386760706 /nfs/dbraw/zinc/76/07/06/386760706.db2.gz QEAMVSCJGJOZQB-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000192131075 386742682 /nfs/dbraw/zinc/74/26/82/386742682.db2.gz AESSWNBOJIOKEP-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CNC[C@@H](C)C[NH2+]C1CCSCC1 ZINC000414844483 386774105 /nfs/dbraw/zinc/77/41/05/386774105.db2.gz RNLGVSODXDZKMN-SECBINFHSA-N 1 3 202.367 1.327 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417807673 386787293 /nfs/dbraw/zinc/78/72/93/386787293.db2.gz DKEVYELKDKVORP-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO CNC[C@@H](C)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414846179 386811955 /nfs/dbraw/zinc/81/19/55/386811955.db2.gz UGKZFXZEOXANAR-CHWSQXEVSA-N 1 3 242.407 1.884 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000398540968 386838620 /nfs/dbraw/zinc/83/86/20/386838620.db2.gz GWEITBAOOJHTQX-UTUOFQBUSA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000398595287 386849416 /nfs/dbraw/zinc/84/94/16/386849416.db2.gz WWGVOLFNSZWCTP-RWMBFGLXSA-N 1 3 228.380 1.645 20 0 BDADHO CC[NH+]1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000334833034 386871025 /nfs/dbraw/zinc/87/10/25/386871025.db2.gz LYLNHECFXKSMGJ-LLVKDONJSA-N 1 3 247.333 1.058 20 0 BDADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cnn(C)c1 ZINC000051919536 386871901 /nfs/dbraw/zinc/87/19/01/386871901.db2.gz UJOQRUCIUPUNCD-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO C(CN1CCO[C@@H]2CCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919583 386872722 /nfs/dbraw/zinc/87/27/22/386872722.db2.gz LFKHSYNDUJJOKI-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO CN1CCN(CCC[NH3+])C2(CCCCC2)C1 ZINC000334860835 386914049 /nfs/dbraw/zinc/91/40/49/386914049.db2.gz XGVJGGGSFVLMEW-UHFFFAOYSA-N 1 3 225.380 1.286 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCCOCC1 ZINC000334862266 386915524 /nfs/dbraw/zinc/91/55/24/386915524.db2.gz JQBCZZGPQATRII-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H]1CC[NH2+]C[C@H]1C ZINC000414943215 386895510 /nfs/dbraw/zinc/89/55/10/386895510.db2.gz NNUOOGWILDNHFY-MNOVXSKESA-N 1 3 242.363 1.163 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@H]1CCNC[C@H]1C ZINC000414943215 386895514 /nfs/dbraw/zinc/89/55/14/386895514.db2.gz NNUOOGWILDNHFY-MNOVXSKESA-N 1 3 242.363 1.163 20 0 BDADHO FC(F)(F)C1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334848258 386896028 /nfs/dbraw/zinc/89/60/28/386896028.db2.gz PVWJGEBODLSENM-AUYFUSPOSA-N 1 3 248.292 1.915 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331912462 386924659 /nfs/dbraw/zinc/92/46/59/386924659.db2.gz GBDFRPZGBARYSJ-XQQFMLRXSA-N 1 3 228.380 1.787 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2cccnc2)C1 ZINC000161708613 386928310 /nfs/dbraw/zinc/92/83/10/386928310.db2.gz JVPXDOPBNYMPKD-WCQYABFASA-N 1 3 219.332 1.293 20 0 BDADHO CC1CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000334873374 386935470 /nfs/dbraw/zinc/93/54/70/386935470.db2.gz ILNMEMQCASTHLN-WXRRBKDZSA-N 1 3 226.364 1.533 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417886014 386936135 /nfs/dbraw/zinc/93/61/35/386936135.db2.gz VKNLISGVEGAXJN-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CCC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417886014 386936140 /nfs/dbraw/zinc/93/61/40/386936140.db2.gz VKNLISGVEGAXJN-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000398703514 386956747 /nfs/dbraw/zinc/95/67/47/386956747.db2.gz XSRJZZRGTQWPGN-RVMXOQNASA-N 1 3 228.380 1.501 20 0 BDADHO CS[C@@H]1CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000425353843 386963563 /nfs/dbraw/zinc/96/35/63/386963563.db2.gz NJYSVHUZTDGBFC-NWDGAFQWSA-N 1 3 226.389 1.732 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000332414249 386977543 /nfs/dbraw/zinc/97/75/43/386977543.db2.gz AWSNZCAAXSNEME-RYUDHWBXSA-N 1 3 226.364 1.256 20 0 BDADHO CN(C)CCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358913280 387032202 /nfs/dbraw/zinc/03/22/02/387032202.db2.gz HDNCFTKKAGWVTP-LBPRGKRZSA-N 1 3 236.363 1.339 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000417413407 387047722 /nfs/dbraw/zinc/04/77/22/387047722.db2.gz XWCFIZHVCSNZSW-LPWJVIDDSA-N 1 3 224.348 1.116 20 0 BDADHO C[C@@]1(O)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000417413407 387047726 /nfs/dbraw/zinc/04/77/26/387047726.db2.gz XWCFIZHVCSNZSW-LPWJVIDDSA-N 1 3 224.348 1.116 20 0 BDADHO COCC[C@H](C)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352534992 387050664 /nfs/dbraw/zinc/05/06/64/387050664.db2.gz KXQJBTXWDOJBHO-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)N[C@H](C)CN1CCCCC1 ZINC000070315027 387062877 /nfs/dbraw/zinc/06/28/77/387062877.db2.gz QROIDWRQEBUHEL-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000514602426 387009100 /nfs/dbraw/zinc/00/91/00/387009100.db2.gz OAQMMSOJXAYMPY-LLVKDONJSA-N 1 3 249.358 1.167 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NC1CC(C)(F)C1 ZINC000335004744 387099531 /nfs/dbraw/zinc/09/95/31/387099531.db2.gz DTPPEROUUJBIKA-UZEXVOJHSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CC(C)(F)C1 ZINC000335004744 387099534 /nfs/dbraw/zinc/09/95/34/387099534.db2.gz DTPPEROUUJBIKA-UZEXVOJHSA-N 1 3 214.328 1.855 20 0 BDADHO CCCC[C@@H](COC)NCC1C[NH2+]C1 ZINC000423299143 387128667 /nfs/dbraw/zinc/12/86/67/387128667.db2.gz BMVFOGUQSTYYFZ-NSHDSACASA-N 1 3 200.326 1.001 20 0 BDADHO CCCC[C@@H](COC)[NH2+]CC1CNC1 ZINC000423299143 387128676 /nfs/dbraw/zinc/12/86/76/387128676.db2.gz BMVFOGUQSTYYFZ-NSHDSACASA-N 1 3 200.326 1.001 20 0 BDADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CNC1 ZINC000423306204 387142233 /nfs/dbraw/zinc/14/22/33/387142233.db2.gz SMIHNUIZAUIUHN-RYUDHWBXSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@H](c1ccccc1)[C@H](C)NCC1C[NH2+]C1 ZINC000423306204 387142236 /nfs/dbraw/zinc/14/22/36/387142236.db2.gz SMIHNUIZAUIUHN-RYUDHWBXSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CCCc2ccc(O)cc21 ZINC000423307351 387142991 /nfs/dbraw/zinc/14/29/91/387142991.db2.gz MZIYNYPJMBIYIE-HZMBPMFUSA-N 1 3 234.343 1.954 20 0 BDADHO CCC[NH2+]CCN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423312173 387148128 /nfs/dbraw/zinc/14/81/28/387148128.db2.gz RKDYXFSBQPJKTA-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO C([NH2+][C@@H](C1CC1)C1CCCC1)C1CNC1 ZINC000423313626 387151536 /nfs/dbraw/zinc/15/15/36/387151536.db2.gz FZBINRYSAUAOHO-CYBMUJFWSA-N 1 3 208.349 1.764 20 0 BDADHO CCC1(CC)[C@H](NC[C@@H]([NH3+])C2CC2)C[C@@H]1OC ZINC000423314784 387155078 /nfs/dbraw/zinc/15/50/78/387155078.db2.gz HUYCKKRQQMZZMS-UPJWGTAASA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)CCN1 ZINC000423374081 387193378 /nfs/dbraw/zinc/19/33/78/387193378.db2.gz HQFFHRKZUINGCO-OJAKKHQRSA-N 1 3 208.349 1.905 20 0 BDADHO c1cncc([C@H]2CCC[C@H]([NH2+]CC3CNC3)C2)c1 ZINC000423329524 387173746 /nfs/dbraw/zinc/17/37/46/387173746.db2.gz SXHGYTQJYIAEID-ZFWWWQNUSA-N 1 3 245.370 1.917 20 0 BDADHO c1cncc([C@H]2CCC[C@H](NCC3C[NH2+]C3)C2)c1 ZINC000423329524 387173752 /nfs/dbraw/zinc/17/37/52/387173752.db2.gz SXHGYTQJYIAEID-ZFWWWQNUSA-N 1 3 245.370 1.917 20 0 BDADHO CC1(C)[C@H](NC[C@H]([NH3+])C2CC2)[C@@H]2CCCO[C@H]21 ZINC000423331056 387176834 /nfs/dbraw/zinc/17/68/34/387176834.db2.gz UOOCEGVEIDCCMD-WUHRBBMRSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@H]([NH2+]CC1CNC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423332379 387177799 /nfs/dbraw/zinc/17/77/99/387177799.db2.gz VCBXIIUOLSCEBR-CQDKDKBSSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@H](NCC1C[NH2+]C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000423332379 387177803 /nfs/dbraw/zinc/17/78/03/387177803.db2.gz VCBXIIUOLSCEBR-CQDKDKBSSA-N 1 3 230.355 1.988 20 0 BDADHO COCCC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423337265 387185098 /nfs/dbraw/zinc/18/50/98/387185098.db2.gz UBXRENGMJGCZCI-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423305049 387139222 /nfs/dbraw/zinc/13/92/22/387139222.db2.gz KAJOYTAACUWRRW-QNWHQSFQSA-N 1 3 238.375 1.519 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000423305032 387140144 /nfs/dbraw/zinc/14/01/44/387140144.db2.gz ZZNQAERXMFOKPV-FRRDWIJNSA-N 1 3 227.396 1.576 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H](C)C[NH2+]C)C1(C)C ZINC000300394598 387203828 /nfs/dbraw/zinc/20/38/28/387203828.db2.gz YFAOGKGCBDREHY-GRYCIOLGSA-N 1 3 228.380 1.635 20 0 BDADHO CCN1C[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423356312 387206951 /nfs/dbraw/zinc/20/69/51/387206951.db2.gz GMTFSATUTVKATG-XQQFMLRXSA-N 1 3 225.380 1.058 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000423369407 387223819 /nfs/dbraw/zinc/22/38/19/387223819.db2.gz BXZRWJJVZZYZOD-FQUUOJAGSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C(C2CC2)C2CC2)CCN1 ZINC000572112099 387236202 /nfs/dbraw/zinc/23/62/02/387236202.db2.gz DWMWQSQQXSXVOD-BXKDBHETSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CNC[C@H]1O)C1CCCCC1 ZINC000423412099 387247011 /nfs/dbraw/zinc/24/70/11/387247011.db2.gz WCVHXMVNVNZEME-HZSPNIEDSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cccc(CO)c1 ZINC000423409319 387247045 /nfs/dbraw/zinc/24/70/45/387247045.db2.gz YRJHVPXGCYJAJV-TYNCELHUSA-N 1 3 248.370 1.828 20 0 BDADHO C[C@@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccncn1 ZINC000423423047 387250591 /nfs/dbraw/zinc/25/05/91/387250591.db2.gz LSHNQDVPUXYMOJ-JHJVBQTASA-N 1 3 248.374 1.892 20 0 BDADHO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000423348298 387196394 /nfs/dbraw/zinc/19/63/94/387196394.db2.gz SXGDSCZWSVEFRL-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H]1CCCO1 ZINC000423348298 387196401 /nfs/dbraw/zinc/19/64/01/387196401.db2.gz SXGDSCZWSVEFRL-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](COC)C1CCCC1 ZINC000423467758 387315234 /nfs/dbraw/zinc/31/52/34/387315234.db2.gz OBBMOHYGLCGLAO-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](Cn1cccn1)C(C)C ZINC000423473122 387319243 /nfs/dbraw/zinc/31/92/43/387319243.db2.gz QNVWCNSQYAFAPX-NWDGAFQWSA-N 1 3 224.352 1.235 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](C)[C@H]1CCCOC1 ZINC000423384097 387268576 /nfs/dbraw/zinc/26/85/76/387268576.db2.gz PXDQNEMRPWLHCE-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO CCNCCC[NH2+][C@H](C)CCCCO ZINC000643499000 387281165 /nfs/dbraw/zinc/28/11/65/387281165.db2.gz KGHUMUQHPXEWOZ-LLVKDONJSA-N 1 3 202.342 1.127 20 0 BDADHO CC(C)=CCC[C@@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423431173 387283319 /nfs/dbraw/zinc/28/33/19/387283319.db2.gz LLKZHZZXJMDXPQ-NDBYEHHHSA-N 1 3 208.349 1.929 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCCc2ccncc2)C1 ZINC000360458155 387288818 /nfs/dbraw/zinc/28/88/18/387288818.db2.gz YBQVLPHLBNXFDX-HNNXBMFYSA-N 1 3 247.386 1.898 20 0 BDADHO COC[C@@]1(CN[C@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439092 387288944 /nfs/dbraw/zinc/28/89/44/387288944.db2.gz VEXFYDRLDBOVJD-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000514931722 387308174 /nfs/dbraw/zinc/30/81/74/387308174.db2.gz VXNUGPGBQLNVCL-OUAUKWLOSA-N 1 3 247.333 1.233 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423527389 387356554 /nfs/dbraw/zinc/35/65/54/387356554.db2.gz MGOLYCMTPQGMOS-BXUZGUMPSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000336541440 387364651 /nfs/dbraw/zinc/36/46/51/387364651.db2.gz HCMLPOLJESQZFG-WCQYABFASA-N 1 3 245.370 1.824 20 0 BDADHO CC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423539797 387365430 /nfs/dbraw/zinc/36/54/30/387365430.db2.gz CAZGEHULCRETRO-FIQHERPVSA-N 1 3 214.353 1.374 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCCNC2)C1(C)C ZINC000423544430 387368164 /nfs/dbraw/zinc/36/81/64/387368164.db2.gz DANCANUIFGNDDE-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO COCC[C@@H]1CCC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423551013 387372683 /nfs/dbraw/zinc/37/26/83/387372683.db2.gz JDAHFUIBMBTYSY-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCOC1 ZINC000336554755 387378910 /nfs/dbraw/zinc/37/89/10/387378910.db2.gz BJDRSPMXRBPURG-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCOC1 ZINC000336554755 387378915 /nfs/dbraw/zinc/37/89/15/387378915.db2.gz BJDRSPMXRBPURG-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423474859 387321771 /nfs/dbraw/zinc/32/17/71/387321771.db2.gz HTRDWWIACRSSGL-GARJFASQSA-N 1 3 247.333 1.104 20 0 BDADHO Cc1nccnc1[C@@H](C)NCCC[C@@H]1CCC[NH2+]1 ZINC000423485412 387331811 /nfs/dbraw/zinc/33/18/11/387331811.db2.gz ROAAOUPCAGVDHR-DGCLKSJQSA-N 1 3 248.374 1.968 20 0 BDADHO C[C@@H](Cc1ccoc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423491613 387336510 /nfs/dbraw/zinc/33/65/10/387336510.db2.gz JYIICMFRDCINSB-WCQYABFASA-N 1 3 238.331 1.179 20 0 BDADHO C[C@H](NCC1(CO)CCCCC1)C1C[NH2+]C1 ZINC000643466285 387387243 /nfs/dbraw/zinc/38/72/43/387387243.db2.gz SJPIOEXTGBJVFG-NSHDSACASA-N 1 3 226.364 1.127 20 0 BDADHO C[C@H]([NH2+]CC1(CO)CCCCC1)C1CNC1 ZINC000643466285 387387247 /nfs/dbraw/zinc/38/72/47/387387247.db2.gz SJPIOEXTGBJVFG-NSHDSACASA-N 1 3 226.364 1.127 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCc2c[nH]nc2C1 ZINC000515634616 387404547 /nfs/dbraw/zinc/40/45/47/387404547.db2.gz UNWDAGQBPRRPSD-YNEHKIRRSA-N 1 3 248.374 1.517 20 0 BDADHO CC1(C)C[C@H]([NH2+]CCCN2CCCC2)CO1 ZINC000396851407 387502561 /nfs/dbraw/zinc/50/25/61/387502561.db2.gz LQZCIOWLUQQBPK-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CC1(C)C[C@H](NCCC[NH+]2CCCC2)CO1 ZINC000396851407 387502566 /nfs/dbraw/zinc/50/25/66/387502566.db2.gz LQZCIOWLUQQBPK-LBPRGKRZSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)C[C@@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000396979268 387525636 /nfs/dbraw/zinc/52/56/36/387525636.db2.gz SBWDSHKBEJWIAI-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)C[C@@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000396979268 387525642 /nfs/dbraw/zinc/52/56/42/387525642.db2.gz SBWDSHKBEJWIAI-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CC[C@H](N[C@H]1CC[C@@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471042 387477212 /nfs/dbraw/zinc/47/72/12/387477212.db2.gz PKZGIRJODPOWMZ-CRWXNKLISA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCN1 ZINC000643471042 387477216 /nfs/dbraw/zinc/47/72/16/387477216.db2.gz PKZGIRJODPOWMZ-CRWXNKLISA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CCCN1 ZINC000643471007 387477565 /nfs/dbraw/zinc/47/75/65/387477565.db2.gz JCMPIHOPPVFZLQ-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](NCC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000643507830 387478933 /nfs/dbraw/zinc/47/89/33/387478933.db2.gz RAICIDYMSRRUNS-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO C(C[NH2+]C1CC1)N[C@H]1CC[C@@H]1C1CCC1 ZINC000643508016 387482395 /nfs/dbraw/zinc/48/23/95/387482395.db2.gz ZUERLTDYGWSPBI-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1ccoc1C ZINC000643472229 387485488 /nfs/dbraw/zinc/48/54/88/387485488.db2.gz JOCAUNIZZQCSCW-LBPRGKRZSA-N 1 3 226.320 1.432 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000643511174 387592237 /nfs/dbraw/zinc/59/22/37/387592237.db2.gz HAROMYNVAXVOHZ-MWLCHTKSSA-N 1 3 224.352 1.742 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305364950 387601689 /nfs/dbraw/zinc/60/16/89/387601689.db2.gz VIAFMHJURWQIBJ-HZSPNIEDSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305364950 387601694 /nfs/dbraw/zinc/60/16/94/387601694.db2.gz VIAFMHJURWQIBJ-HZSPNIEDSA-N 1 3 240.391 1.610 20 0 BDADHO Cc1[nH]nc2ncc(CNC(C)(C)CC[NH3+])cc12 ZINC000422561867 387602745 /nfs/dbraw/zinc/60/27/45/387602745.db2.gz NTLKBNGFGNZHSV-UHFFFAOYSA-N 1 3 247.346 1.483 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422707100 387620178 /nfs/dbraw/zinc/62/01/78/387620178.db2.gz GQSZTEYSNAKNNQ-WUHRBBMRSA-N 1 3 228.380 1.643 20 0 BDADHO O[C@H](C[NH2+]C1CCNCC1)C1CCCCC1 ZINC000422704355 387621160 /nfs/dbraw/zinc/62/11/60/387621160.db2.gz PLFPAGBEDAHQIH-CYBMUJFWSA-N 1 3 226.364 1.269 20 0 BDADHO O[C@H](CNC1CC[NH2+]CC1)C1CCCCC1 ZINC000422704355 387621165 /nfs/dbraw/zinc/62/11/65/387621165.db2.gz PLFPAGBEDAHQIH-CYBMUJFWSA-N 1 3 226.364 1.269 20 0 BDADHO O[C@@H](C[NH2+]C1CCNCC1)C1CCCCC1 ZINC000422704357 387621175 /nfs/dbraw/zinc/62/11/75/387621175.db2.gz PLFPAGBEDAHQIH-ZDUSSCGKSA-N 1 3 226.364 1.269 20 0 BDADHO O[C@@H](CNC1CC[NH2+]CC1)C1CCCCC1 ZINC000422704357 387621182 /nfs/dbraw/zinc/62/11/82/387621182.db2.gz PLFPAGBEDAHQIH-ZDUSSCGKSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@H](O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000305661118 387624893 /nfs/dbraw/zinc/62/48/93/387624893.db2.gz XYTBPAGTCRULQY-JSGCOSHPSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000305679720 387624940 /nfs/dbraw/zinc/62/49/40/387624940.db2.gz NCZZCWDSTCEEKL-OLZOCXBDSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000305679720 387624941 /nfs/dbraw/zinc/62/49/41/387624941.db2.gz NCZZCWDSTCEEKL-OLZOCXBDSA-N 1 3 228.380 1.562 20 0 BDADHO CCN(CC[C@@H]1CCC[N@@H+]1C)CC(C)(C)O ZINC000305682220 387626376 /nfs/dbraw/zinc/62/63/76/387626376.db2.gz OFJDANUJOBLEDH-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC[C@@H]1CCC[N@H+]1C)CC(C)(C)O ZINC000305682220 387626382 /nfs/dbraw/zinc/62/63/82/387626382.db2.gz OFJDANUJOBLEDH-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCOC1 ZINC000397150590 387546660 /nfs/dbraw/zinc/54/66/60/387546660.db2.gz LVJCQJXGQUCLKX-FRRDWIJNSA-N 1 3 226.364 1.520 20 0 BDADHO c1ccc2c(c1)CCC[C@@H]([NH2+]CC1CNC1)C2 ZINC000643516539 387627853 /nfs/dbraw/zinc/62/78/53/387627853.db2.gz MDMCGCFQZQWBCW-OAHLLOKOSA-N 1 3 230.355 1.743 20 0 BDADHO c1ccc2c(c1)CCC[C@@H](NCC1C[NH2+]C1)C2 ZINC000643516539 387627856 /nfs/dbraw/zinc/62/78/56/387627856.db2.gz MDMCGCFQZQWBCW-OAHLLOKOSA-N 1 3 230.355 1.743 20 0 BDADHO CCN(C)CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000356223396 387630230 /nfs/dbraw/zinc/63/02/30/387630230.db2.gz NZSPQGJEKAHINY-NSHDSACASA-N 1 3 243.395 1.221 20 0 BDADHO CN(C)c1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422720793 387632347 /nfs/dbraw/zinc/63/23/47/387632347.db2.gz TWNSGUKOISNBPX-DZGCQCFKSA-N 1 3 247.386 1.970 20 0 BDADHO CCCCOCCC[NH2+][C@@H](C)C1CNC1 ZINC000422732146 387641741 /nfs/dbraw/zinc/64/17/41/387641741.db2.gz PBQUMOJTWOYWTA-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO CCCCOCCCN[C@@H](C)C1C[NH2+]C1 ZINC000422732146 387641744 /nfs/dbraw/zinc/64/17/44/387641744.db2.gz PBQUMOJTWOYWTA-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc(CO)c1 ZINC000422736566 387643170 /nfs/dbraw/zinc/64/31/70/387643170.db2.gz GOFWVVQGWZIDGH-WDEREUQCSA-N 1 3 222.332 1.394 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]1(C)CCOC1 ZINC000422736324 387643506 /nfs/dbraw/zinc/64/35/06/387643506.db2.gz VXGBTNLSKIMGIB-WOPDTQHZSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCn1ccnc1 ZINC000376502098 387644128 /nfs/dbraw/zinc/64/41/28/387644128.db2.gz NZMWRBGBDHBHBE-UONOGXRCSA-N 1 3 248.374 1.442 20 0 BDADHO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCn1ccnc1 ZINC000376502098 387644131 /nfs/dbraw/zinc/64/41/31/387644131.db2.gz NZMWRBGBDHBHBE-UONOGXRCSA-N 1 3 248.374 1.442 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422744862 387647534 /nfs/dbraw/zinc/64/75/34/387647534.db2.gz KYLVGYQWAXSRGO-CHWSQXEVSA-N 1 3 227.396 1.578 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000430795689 387651376 /nfs/dbraw/zinc/65/13/76/387651376.db2.gz HKONPHPLPALHIG-UTUOFQBUSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000430795689 387651378 /nfs/dbraw/zinc/65/13/78/387651378.db2.gz HKONPHPLPALHIG-UTUOFQBUSA-N 1 3 241.379 1.055 20 0 BDADHO CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422746695 387651631 /nfs/dbraw/zinc/65/16/31/387651631.db2.gz OHEBRSFNKYRBIC-GRYCIOLGSA-N 1 3 214.353 1.519 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422750592 387654956 /nfs/dbraw/zinc/65/49/56/387654956.db2.gz DIWHNVIBZCRFSC-UPJWGTAASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H](NCCCN(C)c1ccccc1)C1C[NH2+]C1 ZINC000422751797 387655004 /nfs/dbraw/zinc/65/50/04/387655004.db2.gz CZAAPIJZRCFORR-CYBMUJFWSA-N 1 3 247.386 1.710 20 0 BDADHO C[C@@H]([NH2+]CCCN(C)c1ccccc1)C1CNC1 ZINC000422751797 387655009 /nfs/dbraw/zinc/65/50/09/387655009.db2.gz CZAAPIJZRCFORR-CYBMUJFWSA-N 1 3 247.386 1.710 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422750336 387655473 /nfs/dbraw/zinc/65/54/73/387655473.db2.gz CTWLYAKQRNDCEE-HZSPNIEDSA-N 1 3 239.407 1.720 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCCNc1ccccc1 ZINC000422756476 387661087 /nfs/dbraw/zinc/66/10/87/387661087.db2.gz LNWPQPFTCUAZHM-ZIAGYGMSSA-N 1 3 233.359 1.958 20 0 BDADHO CCN1CCC[C@H]1C[NH2+][C@H](C)c1cnccc1N ZINC000422763136 387665407 /nfs/dbraw/zinc/66/54/07/387665407.db2.gz SYJXDQNEJWWMIS-NEPJUHHUSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cnccc1N ZINC000422763136 387665412 /nfs/dbraw/zinc/66/54/12/387665412.db2.gz SYJXDQNEJWWMIS-NEPJUHHUSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1cnccc1N ZINC000422763136 387665419 /nfs/dbraw/zinc/66/54/19/387665419.db2.gz SYJXDQNEJWWMIS-NEPJUHHUSA-N 1 3 248.374 1.629 20 0 BDADHO CCN1CCC[C@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422764126 387665487 /nfs/dbraw/zinc/66/54/87/387665487.db2.gz UOBKQQRAOVDZPV-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO COc1cc(C[NH2+][C@@H]2CCC[C@H]2N)ccc1C ZINC000422768944 387668006 /nfs/dbraw/zinc/66/80/06/387668006.db2.gz VDTNENDRTAHMOC-CHWSQXEVSA-N 1 3 234.343 1.973 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400757582 387668893 /nfs/dbraw/zinc/66/88/93/387668893.db2.gz XLQNYODLPBOUSB-YNEHKIRRSA-N 1 3 225.380 1.201 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000126258469 387676762 /nfs/dbraw/zinc/67/67/62/387676762.db2.gz PFBIVGJFELRKNE-STQMWFEESA-N 1 3 236.363 1.380 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000422782229 387681610 /nfs/dbraw/zinc/68/16/10/387681610.db2.gz JPLHJQIFPTWLDH-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H](C)CN1CCCC1)C(C)C ZINC000126502254 387685246 /nfs/dbraw/zinc/68/52/46/387685246.db2.gz UXPOBKJQSAFYKD-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502254 387685248 /nfs/dbraw/zinc/68/52/48/387685248.db2.gz UXPOBKJQSAFYKD-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)[C@@H](O)CCN[C@@H]1CCC[NH2+]CC1 ZINC000422788114 387686749 /nfs/dbraw/zinc/68/67/49/387686749.db2.gz VGZBGBQAWVNOJL-NEPJUHHUSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@@H](O)CC[NH2+][C@@H]1CCCNCC1 ZINC000422788114 387686757 /nfs/dbraw/zinc/68/67/57/387686757.db2.gz VGZBGBQAWVNOJL-NEPJUHHUSA-N 1 3 214.353 1.125 20 0 BDADHO CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2N)CCCC1 ZINC000422786437 387688051 /nfs/dbraw/zinc/68/80/51/387688051.db2.gz ORQDCXIKGGNQAZ-NWDGAFQWSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743779 387688966 /nfs/dbraw/zinc/68/89/66/387688966.db2.gz RVJYPWFCLFLZBD-BZPMIXESSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCc1ccccc1 ZINC000422744015 387689302 /nfs/dbraw/zinc/68/93/02/387689302.db2.gz JONWPIXMNGEBLW-NWDGAFQWSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCc1ccccc1 ZINC000422744015 387689310 /nfs/dbraw/zinc/68/93/10/387689310.db2.gz JONWPIXMNGEBLW-NWDGAFQWSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@H](N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422861058 387744526 /nfs/dbraw/zinc/74/45/26/387744526.db2.gz IWPSFOKHDXQSHP-FMSGJZPZSA-N 1 3 237.391 1.342 20 0 BDADHO CC1CCN(CC[NH2+][C@H]2CCC[C@H]2N)CC1 ZINC000422868056 387749495 /nfs/dbraw/zinc/74/94/95/387749495.db2.gz UFTMHTHHMZWAJC-OLZOCXBDSA-N 1 3 225.380 1.188 20 0 BDADHO CC1CCN(CCN[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422868056 387749501 /nfs/dbraw/zinc/74/95/01/387749501.db2.gz UFTMHTHHMZWAJC-OLZOCXBDSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@]1(C)CCCS1 ZINC000422872447 387752898 /nfs/dbraw/zinc/75/28/98/387752898.db2.gz HEAXUTXAGSMDHA-UTUOFQBUSA-N 1 3 228.405 1.860 20 0 BDADHO CC[C@H](C)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000441370468 387754484 /nfs/dbraw/zinc/75/44/84/387754484.db2.gz HRSATYNLVLDLQE-ZDUSSCGKSA-N 1 3 241.423 1.648 20 0 BDADHO c1cnc2c(c1)CCC[C@H]2NCC1=CC[NH2+]CC1 ZINC000643520549 387700853 /nfs/dbraw/zinc/70/08/53/387700853.db2.gz ZSHGSHUTYNYOAY-CQSZACIVSA-N 1 3 243.354 1.968 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422804889 387701357 /nfs/dbraw/zinc/70/13/57/387701357.db2.gz IFEDIEVIJCCXLO-MELADBBJSA-N 1 3 242.407 1.748 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCN1CCCCCC1 ZINC000422807819 387706188 /nfs/dbraw/zinc/70/61/88/387706188.db2.gz NHCGVDSWGNCSMT-KBPBESRZSA-N 1 3 239.407 1.450 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1Cc2ccccc2O1 ZINC000422810945 387707507 /nfs/dbraw/zinc/70/75/07/387707507.db2.gz SPPRGAXYSZDCFU-DMDPSCGWSA-N 1 3 234.343 1.706 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000422809287 387708609 /nfs/dbraw/zinc/70/86/09/387708609.db2.gz RRTWXIHIIUVAKS-YUTCNCBUSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCN1CCCCC1 ZINC000422808653 387708708 /nfs/dbraw/zinc/70/87/08/387708708.db2.gz LHKGKYXMFHNENW-STQMWFEESA-N 1 3 225.380 1.060 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C(C)(C)C ZINC000422811562 387709006 /nfs/dbraw/zinc/70/90/06/387709006.db2.gz PEDUGZJXCRPAOK-GARJFASQSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CC1 ZINC000422816667 387713627 /nfs/dbraw/zinc/71/36/27/387713627.db2.gz FQUQEGRYEHRSOM-VIFPVBQESA-N 1 3 219.332 1.909 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422789772 387731344 /nfs/dbraw/zinc/73/13/44/387731344.db2.gz WYTSWMAZJQPLPX-FRRDWIJNSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422789772 387731347 /nfs/dbraw/zinc/73/13/47/387731347.db2.gz WYTSWMAZJQPLPX-FRRDWIJNSA-N 1 3 228.380 1.371 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1(C)C ZINC000422850836 387734101 /nfs/dbraw/zinc/73/41/01/387734101.db2.gz OFDPRBHWTTVWKQ-XWLWVQCSSA-N 1 3 214.353 1.515 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1(C)C ZINC000422850836 387734109 /nfs/dbraw/zinc/73/41/09/387734109.db2.gz OFDPRBHWTTVWKQ-XWLWVQCSSA-N 1 3 214.353 1.515 20 0 BDADHO Cn1cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128075173 387734580 /nfs/dbraw/zinc/73/45/80/387734580.db2.gz ZMGNWTREFRXLQG-UONOGXRCSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128075173 387734585 /nfs/dbraw/zinc/73/45/85/387734585.db2.gz ZMGNWTREFRXLQG-UONOGXRCSA-N 1 3 248.374 1.179 20 0 BDADHO CO[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852703 387736742 /nfs/dbraw/zinc/73/67/42/387736742.db2.gz RDBQETJDAOUJQK-RSMQCKGYSA-N 1 3 238.375 1.673 20 0 BDADHO C[NH+](C)CCNc1ccncc1-c1cccnc1 ZINC000367664644 387740615 /nfs/dbraw/zinc/74/06/15/387740615.db2.gz GGMSWBGOMLAKDK-UHFFFAOYSA-N 1 3 242.326 1.539 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCCC[C@H]1C ZINC000422856806 387742113 /nfs/dbraw/zinc/74/21/13/387742113.db2.gz GPHXAMFQOMEBPD-RWMBFGLXSA-N 1 3 227.396 1.576 20 0 BDADHO C[C@H](NCCN1[C@@H](C)CCC[C@@H]1C)C1C[NH2+]C1 ZINC000422892430 387763781 /nfs/dbraw/zinc/76/37/81/387763781.db2.gz YNYLHUIDMYPZCY-AVGNSLFASA-N 1 3 239.407 1.447 20 0 BDADHO C[C@@H](NC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000422896420 387766913 /nfs/dbraw/zinc/76/69/13/387766913.db2.gz IGVNRCQBDQLONM-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422910280 387770179 /nfs/dbraw/zinc/77/01/79/387770179.db2.gz QDIWCILGBBICFQ-JHJVBQTASA-N 1 3 227.396 1.576 20 0 BDADHO C[C@H](N[C@@H]1C[C@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921881 387778065 /nfs/dbraw/zinc/77/80/65/387778065.db2.gz PIYIVVFBJUFPBD-NJZAAPMLSA-N 1 3 230.355 1.815 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)C1CNC1 ZINC000422921881 387778071 /nfs/dbraw/zinc/77/80/71/387778071.db2.gz PIYIVVFBJUFPBD-NJZAAPMLSA-N 1 3 230.355 1.815 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCC(C)(C)C ZINC000422925922 387779210 /nfs/dbraw/zinc/77/92/10/387779210.db2.gz BWUJKIULOOOYEQ-QJPTWQEYSA-N 1 3 228.380 1.765 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422902036 387787085 /nfs/dbraw/zinc/78/70/85/387787085.db2.gz COAZESYODFHXKH-FRRDWIJNSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@@H](C[C@@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902765 387787215 /nfs/dbraw/zinc/78/72/15/387787215.db2.gz NMBNHLHZJBMVRC-MWWBDVBNSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H](NC[C@H]1CCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000422901526 387787619 /nfs/dbraw/zinc/78/76/19/387787619.db2.gz LFZCXGQSDWFIDM-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)CC[C@](C)(O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422983521 387793000 /nfs/dbraw/zinc/79/30/00/387793000.db2.gz ZTQFHDJPWAXFFP-UPJWGTAASA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000422982434 387794412 /nfs/dbraw/zinc/79/44/12/387794412.db2.gz WTQBQBZXBKCTEM-KGYLQXTDSA-N 1 3 226.364 1.125 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000422985361 387795512 /nfs/dbraw/zinc/79/55/12/387795512.db2.gz DKEQRJVCSDOLES-CYDGBPFRSA-N 1 3 228.380 1.905 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CNCC[C@H]2C)[nH]n1 ZINC000422991877 387799399 /nfs/dbraw/zinc/79/93/99/387799399.db2.gz QGYDJSZMVKAQFH-NRUUGDAUSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)n[nH]1 ZINC000422991877 387799402 /nfs/dbraw/zinc/79/94/02/387799402.db2.gz QGYDJSZMVKAQFH-NRUUGDAUSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)[nH]n1 ZINC000422991877 387799404 /nfs/dbraw/zinc/79/94/04/387799404.db2.gz QGYDJSZMVKAQFH-NRUUGDAUSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@H]2CNCC[C@H]2C)n[nH]1 ZINC000422991877 387799407 /nfs/dbraw/zinc/79/94/07/387799407.db2.gz QGYDJSZMVKAQFH-NRUUGDAUSA-N 1 3 236.363 1.237 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ncccc1F ZINC000422992977 387800916 /nfs/dbraw/zinc/80/09/16/387800916.db2.gz DQWARZQNWQHSEY-NXEZZACHSA-N 1 3 241.310 1.315 20 0 BDADHO CC(C)CN1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000422997887 387804756 /nfs/dbraw/zinc/80/47/56/387804756.db2.gz OYCDGVCRKYDTFS-UONOGXRCSA-N 1 3 239.407 1.448 20 0 BDADHO COc1cccc(C[C@@H](C)N[C@@H](C)C2C[NH2+]C2)c1 ZINC000422952227 387807817 /nfs/dbraw/zinc/80/78/17/387807817.db2.gz AMKXEKHINKBETA-NEPJUHHUSA-N 1 3 248.370 1.824 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+][C@@H](C)C2CNC2)c1 ZINC000422952227 387807818 /nfs/dbraw/zinc/80/78/18/387807818.db2.gz AMKXEKHINKBETA-NEPJUHHUSA-N 1 3 248.370 1.824 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccco1 ZINC000422963128 387813510 /nfs/dbraw/zinc/81/35/10/387813510.db2.gz HPBJKKBRWDEBSN-YPMHNXCESA-N 1 3 222.332 1.800 20 0 BDADHO CCN(CCN[C@@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876970 387756731 /nfs/dbraw/zinc/75/67/31/387756731.db2.gz GZWOECFOXCBDKJ-TZMCWYRMSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H](N[C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880917 387758144 /nfs/dbraw/zinc/75/81/44/387758144.db2.gz XUEMCGTWQYRBRU-RFHZTLPTSA-N 1 3 237.391 1.199 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422882526 387758559 /nfs/dbraw/zinc/75/85/59/387758559.db2.gz SMNSRPVSWGNUNQ-CHWSQXEVSA-N 1 3 227.396 1.304 20 0 BDADHO C[C@@H](N[C@@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422880915 387758565 /nfs/dbraw/zinc/75/85/65/387758565.db2.gz XUEMCGTWQYRBRU-MHDGFBEUSA-N 1 3 237.391 1.199 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422972840 387820670 /nfs/dbraw/zinc/82/06/70/387820670.db2.gz ANCDVHPXCVJNHB-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422972840 387820673 /nfs/dbraw/zinc/82/06/73/387820673.db2.gz ANCDVHPXCVJNHB-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO c1ccc([C@@H]2C[C@@H](N[C@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003224 387826009 /nfs/dbraw/zinc/82/60/09/387826009.db2.gz LCIOSKFRADALRD-KKUMJFAQSA-N 1 3 246.354 1.858 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000423003206 387826517 /nfs/dbraw/zinc/82/65/17/387826517.db2.gz LBNSGFVCELLGCS-AGIUHOORSA-N 1 3 242.407 1.747 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000442714041 387827183 /nfs/dbraw/zinc/82/71/83/387827183.db2.gz KLYJGWPVTLIAHY-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCN(C)c1ccccc1 ZINC000442765891 387835388 /nfs/dbraw/zinc/83/53/88/387835388.db2.gz KATQLMUJOFGHAI-KBPBESRZSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCN(C)c1ccccc1 ZINC000442765891 387835392 /nfs/dbraw/zinc/83/53/92/387835392.db2.gz KATQLMUJOFGHAI-KBPBESRZSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCN(C)c1ccccc1 ZINC000442765891 387835397 /nfs/dbraw/zinc/83/53/97/387835397.db2.gz KATQLMUJOFGHAI-KBPBESRZSA-N 1 3 247.386 1.792 20 0 BDADHO C[C@H](N[C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423017875 387840461 /nfs/dbraw/zinc/84/04/61/387840461.db2.gz PSJWPCNQLTZBIR-MROQNXINSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)C2CNC2)C1(C)C ZINC000423016691 387840757 /nfs/dbraw/zinc/84/07/57/387840757.db2.gz NEOXOUWVCBWLHA-LLHIFLOGSA-N 1 3 226.364 1.243 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H](N[C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016691 387840762 /nfs/dbraw/zinc/84/07/62/387840762.db2.gz NEOXOUWVCBWLHA-LLHIFLOGSA-N 1 3 226.364 1.243 20 0 BDADHO CC[C@H](NCC1(C)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423025054 387843757 /nfs/dbraw/zinc/84/37/57/387843757.db2.gz NILZYFXEQJCEFA-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCCN1 ZINC000423025054 387843762 /nfs/dbraw/zinc/84/37/62/387843762.db2.gz NILZYFXEQJCEFA-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2CN)CCO1 ZINC000423030453 387846725 /nfs/dbraw/zinc/84/67/25/387846725.db2.gz JUVSESYGVVNYLC-YIYPIFLZSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](CO)CC1CCCC1 ZINC000423032216 387849032 /nfs/dbraw/zinc/84/90/32/387849032.db2.gz XWSQARFRKWMVKL-DMDPSCGWSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](CO)CC1CCCC1 ZINC000423032218 387849223 /nfs/dbraw/zinc/84/92/23/387849223.db2.gz XWSQARFRKWMVKL-GMXVVIOVSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1ncc(C[NH2+][C@H](C)CCCC[NH3+])c(=O)[n-]1 ZINC000423036974 387850570 /nfs/dbraw/zinc/85/05/70/387850570.db2.gz VFCIYHRPDGITRV-SECBINFHSA-N 1 3 238.335 1.098 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000423036531 387850945 /nfs/dbraw/zinc/85/09/45/387850945.db2.gz UGTUCRUDNYMTQH-ZDEQEGDKSA-N 1 3 228.380 1.907 20 0 BDADHO CC1=CCN(CC[NH2+][C@@H]2CCC[C@H]2N)CC1 ZINC000423039144 387853793 /nfs/dbraw/zinc/85/37/93/387853793.db2.gz PXZPMTDXTHEKLU-CHWSQXEVSA-N 1 3 223.364 1.108 20 0 BDADHO CC1=CCN(CCN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000423039144 387853797 /nfs/dbraw/zinc/85/37/97/387853797.db2.gz PXZPMTDXTHEKLU-CHWSQXEVSA-N 1 3 223.364 1.108 20 0 BDADHO CC(C)OCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423041134 387855547 /nfs/dbraw/zinc/85/55/47/387855547.db2.gz WDZZBMRSYUMCPZ-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCO1 ZINC000423043940 387855813 /nfs/dbraw/zinc/85/58/13/387855813.db2.gz QEGSGEZCKZNPCH-MWWBDVBNSA-N 1 3 238.375 1.817 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003098 387863588 /nfs/dbraw/zinc/86/35/88/387863588.db2.gz GXMKXSXESSLCGA-LPWJVIDDSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000423060697 387864026 /nfs/dbraw/zinc/86/40/26/387864026.db2.gz PASANMSELWYRJS-RGDJUOJXSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)[C@@H]1CCCCN1 ZINC000423061974 387867673 /nfs/dbraw/zinc/86/76/73/387867673.db2.gz LXVXXQXYICLIRO-AGIUHOORSA-N 1 3 248.374 1.318 20 0 BDADHO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@H]1CCCCN1 ZINC000423061978 387868283 /nfs/dbraw/zinc/86/82/83/387868283.db2.gz LXVXXQXYICLIRO-RWMBFGLXSA-N 1 3 248.374 1.318 20 0 BDADHO CC(C)[C@H]([NH2+][C@H](C)C[C@H](C)N)C(C)(C)O ZINC000423068265 387870175 /nfs/dbraw/zinc/87/01/75/387870175.db2.gz BIZMPDLJWWTZGG-AXFHLTTASA-N 1 3 216.369 1.497 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H](O)C1(C)C ZINC000423065320 387870201 /nfs/dbraw/zinc/87/02/01/387870201.db2.gz UBQONFUTLYKTHR-KXNHARMFSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOC(F)(F)F ZINC000423067919 387870304 /nfs/dbraw/zinc/87/03/04/387870304.db2.gz ISWUYWOLHPJKOT-RKDXNWHRSA-N 1 3 240.269 1.501 20 0 BDADHO C[C@H](NC[C@@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069741 387871462 /nfs/dbraw/zinc/87/14/62/387871462.db2.gz BSKUBOJFAWAYJV-FZMZJTMJSA-N 1 3 237.391 1.201 20 0 BDADHO CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000423070516 387871538 /nfs/dbraw/zinc/87/15/38/387871538.db2.gz CYLYFIVCZFSKIJ-QWHCGFSZSA-N 1 3 239.407 1.578 20 0 BDADHO CC1(C)CCCN(CCN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000423070516 387871544 /nfs/dbraw/zinc/87/15/44/387871544.db2.gz CYLYFIVCZFSKIJ-QWHCGFSZSA-N 1 3 239.407 1.578 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000423069039 387871891 /nfs/dbraw/zinc/87/18/91/387871891.db2.gz LIABQFNUOBZGQH-XWLWVQCSSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000442659411 387814680 /nfs/dbraw/zinc/81/46/80/387814680.db2.gz KMUBIIRZYIBXAK-GXTWGEPZSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000442659411 387814683 /nfs/dbraw/zinc/81/46/83/387814683.db2.gz KMUBIIRZYIBXAK-GXTWGEPZSA-N 1 3 218.344 1.898 20 0 BDADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCCC1 ZINC000422965226 387814859 /nfs/dbraw/zinc/81/48/59/387814859.db2.gz OAANIULYFJDDID-MCIONIFRSA-N 1 3 239.407 1.576 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H](C)C[C@H](C)N ZINC000423002879 387817989 /nfs/dbraw/zinc/81/79/89/387817989.db2.gz KFWFSSHTSKDJHR-WDEREUQCSA-N 1 3 216.369 1.501 20 0 BDADHO CCC(CC)(CO)CN[C@H](C)C[C@H](C)[NH3+] ZINC000423002879 387817994 /nfs/dbraw/zinc/81/79/94/387817994.db2.gz KFWFSSHTSKDJHR-WDEREUQCSA-N 1 3 216.369 1.501 20 0 BDADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N(C)C ZINC000422968377 387819484 /nfs/dbraw/zinc/81/94/84/387819484.db2.gz WOYGITPDIKAEJA-MCIONIFRSA-N 1 3 241.423 1.822 20 0 BDADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105687 387890645 /nfs/dbraw/zinc/89/06/45/387890645.db2.gz ZHQFCQGEBQHTAS-PEBLQZBPSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1N(C)CCCC1(C)C ZINC000423083279 387878322 /nfs/dbraw/zinc/87/83/22/387878322.db2.gz FSPGTWMHTICAGB-XQQFMLRXSA-N 1 3 241.423 1.822 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1N(C)CCCC1(C)C ZINC000423083278 387878919 /nfs/dbraw/zinc/87/89/19/387878919.db2.gz FSPGTWMHTICAGB-RWMBFGLXSA-N 1 3 241.423 1.822 20 0 BDADHO CC[C@H](NC[C@@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084804 387878972 /nfs/dbraw/zinc/87/89/72/387878972.db2.gz IZCZVYVLYZQVSZ-SRVKXCTJSA-N 1 3 228.405 1.860 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000423092838 387882431 /nfs/dbraw/zinc/88/24/31/387882431.db2.gz DPWGNUYRFPDBQR-YFKTTZPYSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000423092838 387882433 /nfs/dbraw/zinc/88/24/33/387882433.db2.gz DPWGNUYRFPDBQR-YFKTTZPYSA-N 1 3 242.363 1.434 20 0 BDADHO C[C@H](N[C@H](CO)CCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000423092936 387883118 /nfs/dbraw/zinc/88/31/18/387883118.db2.gz DXLVETXJIFTYTP-XQQFMLRXSA-N 1 3 242.407 1.761 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCC1 ZINC000423117075 387898711 /nfs/dbraw/zinc/89/87/11/387898711.db2.gz SUVGTCBJSCTUKQ-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](CO)CCC(C)(C)C ZINC000423099888 387886763 /nfs/dbraw/zinc/88/67/63/387886763.db2.gz UOFJQFOHSOVHNM-QJPTWQEYSA-N 1 3 230.396 1.889 20 0 BDADHO CC(C)SCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423099768 387886799 /nfs/dbraw/zinc/88/67/99/387886799.db2.gz AYRKPPJCROVKPF-QJPTWQEYSA-N 1 3 246.420 1.470 20 0 BDADHO NC[C@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357064 387888619 /nfs/dbraw/zinc/88/86/19/387888619.db2.gz SUVQLGVAMIOWQA-QWRGUYRKSA-N 1 3 248.317 1.471 20 0 BDADHO NC[C@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCCO1 ZINC000313357064 387888623 /nfs/dbraw/zinc/88/86/23/387888623.db2.gz SUVQLGVAMIOWQA-QWRGUYRKSA-N 1 3 248.317 1.471 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCSC1 ZINC000423119580 387901213 /nfs/dbraw/zinc/90/12/13/387901213.db2.gz DYXZRWGYTRIOTO-HBNTYKKESA-N 1 3 216.394 1.845 20 0 BDADHO C1CC1C([NH2+][C@@H]1CCCNCC1)C1CC1 ZINC000168709858 387904530 /nfs/dbraw/zinc/90/45/30/387904530.db2.gz HGOMFZNNIHBKKV-GFCCVEGCSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000423125679 387904837 /nfs/dbraw/zinc/90/48/37/387904837.db2.gz NVVOSTSGDUTHPH-KKOKHZNYSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423125682 387906029 /nfs/dbraw/zinc/90/60/29/387906029.db2.gz NVVOSTSGDUTHPH-WYUUTHIRSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1COc2ccccc21 ZINC000423129610 387906847 /nfs/dbraw/zinc/90/68/47/387906847.db2.gz XGJSLCAZMGDVPJ-SDDRHHMPSA-N 1 3 234.343 1.878 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000423129610 387906850 /nfs/dbraw/zinc/90/68/50/387906850.db2.gz XGJSLCAZMGDVPJ-SDDRHHMPSA-N 1 3 234.343 1.878 20 0 BDADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])c1cc[nH]c(=O)c1 ZINC000423131755 387909252 /nfs/dbraw/zinc/90/92/52/387909252.db2.gz IKQYVZSMZGIQFZ-LPEHRKFASA-N 1 3 223.320 1.564 20 0 BDADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423131763 387909788 /nfs/dbraw/zinc/90/97/88/387909788.db2.gz ILXQYKAYUCXGMR-HBNTYKKESA-N 1 3 202.317 1.842 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCC[C@H]2CN)CCC1 ZINC000423135618 387913314 /nfs/dbraw/zinc/91/33/14/387913314.db2.gz OBJGBPXBAGJQAM-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423137087 387913514 /nfs/dbraw/zinc/91/35/14/387913514.db2.gz HORJWNLCRXOVCG-AYLPWXGPSA-N 1 3 212.337 1.284 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H](CO)C1CCCCC1 ZINC000423138798 387916387 /nfs/dbraw/zinc/91/63/87/387916387.db2.gz UDTLETZVNUDORD-MJBXVCDLSA-N 1 3 240.391 1.645 20 0 BDADHO OC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000423137934 387917190 /nfs/dbraw/zinc/91/71/90/387917190.db2.gz IJTLQZVOVGBOQM-QNMSZWNNSA-N 1 3 238.375 1.410 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@H]1CCC[C@H]1[NH3+] ZINC000423154816 387934925 /nfs/dbraw/zinc/93/49/25/387934925.db2.gz JYAUPMYJAFKQKF-ZJUUUORDSA-N 1 3 214.353 1.253 20 0 BDADHO CC[C@H](NC[C@H](CO)C1CC1)[C@H]1CCCC[NH2+]1 ZINC000423143578 387920819 /nfs/dbraw/zinc/92/08/19/387920819.db2.gz XKQHVDNSNPEDLE-HZSPNIEDSA-N 1 3 240.391 1.515 20 0 BDADHO COC[C@](C)(O)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423147947 387924855 /nfs/dbraw/zinc/92/48/55/387924855.db2.gz UCWWMTAPCFJLDG-JHJVBQTASA-N 1 3 244.379 1.024 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423157623 387937148 /nfs/dbraw/zinc/93/71/48/387937148.db2.gz BHGFTUDYXOHAKT-YFKTTZPYSA-N 1 3 212.337 1.271 20 0 BDADHO CCO[C@@H]1CCC[C@H]1N[C@H](C)C[C@H](C)[NH3+] ZINC000423167960 387952417 /nfs/dbraw/zinc/95/24/17/387952417.db2.gz SXMLKLHMEIPSFY-IRCOFANPSA-N 1 3 214.353 1.659 20 0 BDADHO CC[C@@H](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160938 387941511 /nfs/dbraw/zinc/94/15/11/387941511.db2.gz RIYWSVOWDJHTJZ-SYCZCVCYSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)[C@H](C)O1 ZINC000392234624 387942490 /nfs/dbraw/zinc/94/24/90/387942490.db2.gz DDEUKDUHCDJRCV-NTZNESFSSA-N 1 3 224.348 1.404 20 0 BDADHO CO[C@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162570 387942939 /nfs/dbraw/zinc/94/29/39/387942939.db2.gz PXACBHLEDNYSOX-VBMFXSEOSA-N 1 3 238.375 1.673 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1COCC1(C)C ZINC000423165769 387947223 /nfs/dbraw/zinc/94/72/23/387947223.db2.gz UVKIQGBMDJXDRF-GUBZILKMSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1COCC1(C)C ZINC000423165767 387947794 /nfs/dbraw/zinc/94/77/94/387947794.db2.gz UVKIQGBMDJXDRF-AEJSXWLSSA-N 1 3 200.326 1.127 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CC=CCC2)C1 ZINC000392280702 387949063 /nfs/dbraw/zinc/94/90/63/387949063.db2.gz HOMAEYQOLUUERF-CHWSQXEVSA-N 1 3 223.364 1.108 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@H]2CN)nc1 ZINC000423165824 387950329 /nfs/dbraw/zinc/95/03/29/387950329.db2.gz QJWHLHVADGFVIW-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000423165824 387950334 /nfs/dbraw/zinc/95/03/34/387950334.db2.gz QJWHLHVADGFVIW-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2cncn2c1 ZINC000423172445 387959203 /nfs/dbraw/zinc/95/92/03/387959203.db2.gz SYCKXIODLJABKH-GXTWGEPZSA-N 1 3 244.342 1.551 20 0 BDADHO CO[C@@H]1C[C@@H](N[C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000423172788 387959534 /nfs/dbraw/zinc/95/95/34/387959534.db2.gz VGENCBOOCHAKQR-MVWJERBFSA-N 1 3 224.348 1.142 20 0 BDADHO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CNC2)C12CCC2 ZINC000423172788 387959537 /nfs/dbraw/zinc/95/95/37/387959537.db2.gz VGENCBOOCHAKQR-MVWJERBFSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245587516 387964266 /nfs/dbraw/zinc/96/42/66/387964266.db2.gz FFAHLMFXPGDBOF-VXGBXAGGSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CCS1 ZINC000245587516 387964269 /nfs/dbraw/zinc/96/42/69/387964269.db2.gz FFAHLMFXPGDBOF-VXGBXAGGSA-N 1 3 228.405 1.908 20 0 BDADHO COCC1CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423177369 387964560 /nfs/dbraw/zinc/96/45/60/387964560.db2.gz HIXJATIUQKUFDE-ZSVAQUKISA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCN)C1 ZINC000423182378 387967363 /nfs/dbraw/zinc/96/73/63/387967363.db2.gz LPRQRUWFAPWAPZ-TZMCWYRMSA-N 1 3 233.359 1.370 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H](NCC[NH3+])C1 ZINC000423182378 387967367 /nfs/dbraw/zinc/96/73/67/387967367.db2.gz LPRQRUWFAPWAPZ-TZMCWYRMSA-N 1 3 233.359 1.370 20 0 BDADHO CO[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000245630833 387968024 /nfs/dbraw/zinc/96/80/24/387968024.db2.gz QCGBXINCNJPCQU-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CO[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000245630833 387968026 /nfs/dbraw/zinc/96/80/26/387968026.db2.gz QCGBXINCNJPCQU-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO COC[C@H]([NH2+]C1CCNCC1)C1CCCC1 ZINC000423195211 387980440 /nfs/dbraw/zinc/98/04/40/387980440.db2.gz YVOQEDWVZHZFBU-ZDUSSCGKSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@H](NC1CC[NH2+]CC1)C1CCCC1 ZINC000423195211 387980445 /nfs/dbraw/zinc/98/04/45/387980445.db2.gz YVOQEDWVZHZFBU-ZDUSSCGKSA-N 1 3 226.364 1.533 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000423196181 387981894 /nfs/dbraw/zinc/98/18/94/387981894.db2.gz ZEQKNGMYUISLOH-WHOHXGKFSA-N 1 3 214.328 1.984 20 0 BDADHO CN1CC[C@H]([NH2+]C2CCNCC2)[C@@H]2CCC[C@H]21 ZINC000423191489 387976609 /nfs/dbraw/zinc/97/66/09/387976609.db2.gz UFVYZTFIAOBQKD-MELADBBJSA-N 1 3 237.391 1.201 20 0 BDADHO NCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423192596 387977503 /nfs/dbraw/zinc/97/75/03/387977503.db2.gz PTHYANITMKBCLN-YNEHKIRRSA-N 1 3 226.364 1.520 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423201216 387987787 /nfs/dbraw/zinc/98/77/87/387987787.db2.gz OBRUFALNVHRTNZ-JHJVBQTASA-N 1 3 238.375 1.533 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423201216 387987791 /nfs/dbraw/zinc/98/77/91/387987791.db2.gz OBRUFALNVHRTNZ-JHJVBQTASA-N 1 3 238.375 1.533 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH2+]C)C12CCCC2 ZINC000423202215 387987974 /nfs/dbraw/zinc/98/79/74/387987974.db2.gz QHVZLNJOZAGVPF-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)O1 ZINC000423204491 387988883 /nfs/dbraw/zinc/98/88/83/387988883.db2.gz BAFREBWHTDHARV-AOWPKACXSA-N 1 3 224.348 1.425 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])CS1 ZINC000423196147 387982293 /nfs/dbraw/zinc/98/22/93/387982293.db2.gz ZBNCHCXPMSAESG-RGOKHQFPSA-N 1 3 200.351 1.350 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424375172 387999494 /nfs/dbraw/zinc/99/94/94/387999494.db2.gz MMZXZBLTMTXJBH-ASEORRQLSA-N 1 3 237.391 1.329 20 0 BDADHO COCC1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000423222424 388002163 /nfs/dbraw/zinc/00/21/63/388002163.db2.gz AXPQVYKJIBSOHY-UNXYVOJBSA-N 1 3 214.353 1.519 20 0 BDADHO CCN1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000424373573 387996328 /nfs/dbraw/zinc/99/63/28/387996328.db2.gz JTFSDXAQQHUTNC-FDYHWXHSSA-N 1 3 225.380 1.186 20 0 BDADHO C[NH2+]CCN[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423228076 388013685 /nfs/dbraw/zinc/01/36/85/388013685.db2.gz YCCAZDZJTJOUQN-HIFRSBDPSA-N 1 3 247.386 1.458 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](N)c1ccccc1 ZINC000423232317 388017027 /nfs/dbraw/zinc/01/70/27/388017027.db2.gz BWNKOHWGOWEWIM-SNPRPXQTSA-N 1 3 247.386 1.616 20 0 BDADHO C[NH2+]CCN[C@H]1CCC[C@@H]1CCCF ZINC000423237801 388021676 /nfs/dbraw/zinc/02/16/76/388021676.db2.gz DVQQKYADCGLPBC-MNOVXSKESA-N 1 3 202.317 1.714 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](N)c1ccccc1 ZINC000423238393 388022840 /nfs/dbraw/zinc/02/28/40/388022840.db2.gz ADEASRPINKRBQP-KWCYVHTRSA-N 1 3 233.359 1.274 20 0 BDADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccncc1F ZINC000423251154 388033936 /nfs/dbraw/zinc/03/39/36/388033936.db2.gz RLHPBCHPCILMTK-QWRGUYRKSA-N 1 3 237.322 1.871 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000423258849 388038686 /nfs/dbraw/zinc/03/86/86/388038686.db2.gz CQKILUJNGMWZLA-HBNTYKKESA-N 1 3 202.342 1.373 20 0 BDADHO CC[C@@H](NC1CCC([NH3+])CC1)c1ccn(C)n1 ZINC000423242108 388026477 /nfs/dbraw/zinc/02/64/77/388026477.db2.gz YMUMIWKZJANVPM-HTAVTVPLSA-N 1 3 236.363 1.731 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@H]1CCCO1 ZINC000423272521 388051156 /nfs/dbraw/zinc/05/11/56/388051156.db2.gz ZAPXQQUABKEOMZ-QJPTWQEYSA-N 1 3 214.353 1.517 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423272382 388051306 /nfs/dbraw/zinc/05/13/06/388051306.db2.gz HXQPIKGNTORRAS-RWMBFGLXSA-N 1 3 228.380 1.909 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423274331 388054505 /nfs/dbraw/zinc/05/45/05/388054505.db2.gz LZDJEPAWLZLVJC-UMSGYPCISA-N 1 3 240.391 1.635 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423274331 388054508 /nfs/dbraw/zinc/05/45/08/388054508.db2.gz LZDJEPAWLZLVJC-UMSGYPCISA-N 1 3 240.391 1.635 20 0 BDADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H](C)C[NH2+]C ZINC000423281958 388063208 /nfs/dbraw/zinc/06/32/08/388063208.db2.gz VZVJINYIGPCMGU-NWDGAFQWSA-N 1 3 243.395 1.079 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H](C)[C@@H](C)OC ZINC000423282217 388064221 /nfs/dbraw/zinc/06/42/21/388064221.db2.gz CLFXMKJIZFPLCG-VHSXEESVSA-N 1 3 202.342 1.517 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@@H](C)OC ZINC000423282217 388064223 /nfs/dbraw/zinc/06/42/23/388064223.db2.gz CLFXMKJIZFPLCG-VHSXEESVSA-N 1 3 202.342 1.517 20 0 BDADHO CCC1(CC)[C@@H](NCC(C)(C)[NH3+])C[C@@H]1OC ZINC000423286791 388070909 /nfs/dbraw/zinc/07/09/09/388070909.db2.gz IUFVNKHJFNIHOZ-QWRGUYRKSA-N 1 3 228.380 1.907 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000423288445 388073455 /nfs/dbraw/zinc/07/34/55/388073455.db2.gz SBSNGEIMLBPYAI-WDEREUQCSA-N 1 3 213.369 1.044 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CN(C)C[C@@H]1C ZINC000423288445 388073457 /nfs/dbraw/zinc/07/34/57/388073457.db2.gz SBSNGEIMLBPYAI-WDEREUQCSA-N 1 3 213.369 1.044 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000084219947 388074826 /nfs/dbraw/zinc/07/48/26/388074826.db2.gz UQTVXDPTYXYGTN-OLZOCXBDSA-N 1 3 219.332 1.341 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOC1CCCC1 ZINC000084222074 388075171 /nfs/dbraw/zinc/07/51/71/388075171.db2.gz NIHQFJTZPGDDDD-WCQYABFASA-N 1 3 226.364 1.663 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000084222074 388075173 /nfs/dbraw/zinc/07/51/73/388075173.db2.gz NIHQFJTZPGDDDD-WCQYABFASA-N 1 3 226.364 1.663 20 0 BDADHO CCCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000336661406 388103577 /nfs/dbraw/zinc/10/35/77/388103577.db2.gz JYSYGKRGQFUYRP-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])C(C)C)C12CCC2 ZINC000423269071 388047387 /nfs/dbraw/zinc/04/73/87/388047387.db2.gz GZNIJLJAJLCHPU-JHJVBQTASA-N 1 3 240.391 1.907 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423269135 388047971 /nfs/dbraw/zinc/04/79/71/388047971.db2.gz GREAMFRDGUILDQ-TUAOUCFPSA-N 1 3 225.380 1.057 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCC2=CCOCC2)[C@H](C)C1 ZINC000449402679 388195167 /nfs/dbraw/zinc/19/51/67/388195167.db2.gz MOBHNKIDYYSXRD-TZMCWYRMSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@@H](NCC2=CCOCC2)[C@H](C)C1 ZINC000449402679 388195169 /nfs/dbraw/zinc/19/51/69/388195169.db2.gz MOBHNKIDYYSXRD-TZMCWYRMSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000449574038 388235635 /nfs/dbraw/zinc/23/56/35/388235635.db2.gz VGLWZLWOUDXBMN-IJLUTSLNSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](C(=O)N[C@@H](C)CCC[NH3+])N(CC)CC ZINC000449572516 388235776 /nfs/dbraw/zinc/23/57/76/388235776.db2.gz NGXYGVADBFAUEK-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449631359 388246365 /nfs/dbraw/zinc/24/63/65/388246365.db2.gz KNUCGNPVKAUGGD-LOWVWBTDSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@@H](C[NH2+]C/C=C\c1ccncc1)CN(C)C ZINC000491597213 388304844 /nfs/dbraw/zinc/30/48/44/388304844.db2.gz SHBFLHBNTHGQME-ZFDPJTLLSA-N 1 3 233.359 1.882 20 0 BDADHO CC(C)(O)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000304326916 388358945 /nfs/dbraw/zinc/35/89/45/388358945.db2.gz UKZVGZUHFZTIGP-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)c2ccccc21 ZINC000315997619 388405136 /nfs/dbraw/zinc/40/51/36/388405136.db2.gz QDSIDPODUXGHTN-RBSFLKMASA-N 1 3 246.354 1.882 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236799432 388383710 /nfs/dbraw/zinc/38/37/10/388383710.db2.gz ATPLIFOTZCYCBF-NEPJUHHUSA-N 1 3 241.379 1.010 20 0 BDADHO CC(C)[C@@H](C(=O)Nc1cccc(CN)c1)[C@H](C)[NH3+] ZINC000646579687 388389111 /nfs/dbraw/zinc/38/91/11/388389111.db2.gz MUZRBUODQYKQBY-GXFFZTMASA-N 1 3 249.358 1.703 20 0 BDADHO C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCNCC1(C)C ZINC000300861952 388399532 /nfs/dbraw/zinc/39/95/32/388399532.db2.gz PIUBPIKVNSPJER-SDDRHHMPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393910623 388446030 /nfs/dbraw/zinc/44/60/30/388446030.db2.gz BJZBRVIRAMHDRS-XKNYDFJKSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393910623 388446033 /nfs/dbraw/zinc/44/60/33/388446033.db2.gz BJZBRVIRAMHDRS-XKNYDFJKSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000393633849 388436569 /nfs/dbraw/zinc/43/65/69/388436569.db2.gz LJBUGROSDCADHJ-XQQFMLRXSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000393694716 388437763 /nfs/dbraw/zinc/43/77/63/388437763.db2.gz OFBZNYAXEMFYFG-QJPTWQEYSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000393694718 388438256 /nfs/dbraw/zinc/43/82/56/388438256.db2.gz OFBZNYAXEMFYFG-SRVKXCTJSA-N 1 3 228.380 1.501 20 0 BDADHO c1cnn(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000135463275 388497180 /nfs/dbraw/zinc/49/71/80/388497180.db2.gz QGOBGIVUSXNGAD-ZIAGYGMSSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000135463275 388497181 /nfs/dbraw/zinc/49/71/81/388497181.db2.gz QGOBGIVUSXNGAD-ZIAGYGMSSA-N 1 3 248.374 1.490 20 0 BDADHO c1cnn(CCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)c1 ZINC000135463275 388497183 /nfs/dbraw/zinc/49/71/83/388497183.db2.gz QGOBGIVUSXNGAD-ZIAGYGMSSA-N 1 3 248.374 1.490 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)OC ZINC000356335491 388549040 /nfs/dbraw/zinc/54/90/40/388549040.db2.gz NGVXLPHPZQUMFS-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000378839677 388520076 /nfs/dbraw/zinc/52/00/76/388520076.db2.gz XGRVIBGERRLKSU-BFHYXJOUSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000378839677 388520080 /nfs/dbraw/zinc/52/00/80/388520080.db2.gz XGRVIBGERRLKSU-BFHYXJOUSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](NCCC[NH+](C)C)[C@H]1CCCCO1 ZINC000379276427 388604471 /nfs/dbraw/zinc/60/44/71/388604471.db2.gz ZVASANHKHHWWOT-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO C[N@@H+]1CCC[C@H](CNCc2cc[nH]c2)C1 ZINC000080773989 388561178 /nfs/dbraw/zinc/56/11/78/388561178.db2.gz LVUNADXCCSYKGH-GFCCVEGCSA-N 1 3 207.321 1.446 20 0 BDADHO C[N@H+]1CCC[C@H](CNCc2cc[nH]c2)C1 ZINC000080773989 388561181 /nfs/dbraw/zinc/56/11/81/388561181.db2.gz LVUNADXCCSYKGH-GFCCVEGCSA-N 1 3 207.321 1.446 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000248055840 388672634 /nfs/dbraw/zinc/67/26/34/388672634.db2.gz XHVBYHSOUQQFBS-MELADBBJSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@@H]([NH2+]CCN2CCCC2)[C@@H](C)C1 ZINC000248048013 388672893 /nfs/dbraw/zinc/67/28/93/388672893.db2.gz VRHPDRLFQSSWEN-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCN2CCCC2)[C@@H](C)C1 ZINC000248048013 388672896 /nfs/dbraw/zinc/67/28/96/388672896.db2.gz VRHPDRLFQSSWEN-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCN2CCCC2)[C@@H](C)C1 ZINC000248048013 388672899 /nfs/dbraw/zinc/67/28/99/388672899.db2.gz VRHPDRLFQSSWEN-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248557741 388683510 /nfs/dbraw/zinc/68/35/10/388683510.db2.gz LQGUNSNPUSZUJB-XJFOESAGSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248557741 388683513 /nfs/dbraw/zinc/68/35/13/388683513.db2.gz LQGUNSNPUSZUJB-XJFOESAGSA-N 1 3 238.375 1.506 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CCCOC1)C1CNC1 ZINC000530208647 388626280 /nfs/dbraw/zinc/62/62/80/388626280.db2.gz GKCNQYGIVZEYAG-WDEREUQCSA-N 1 3 212.337 1.001 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209514 388627927 /nfs/dbraw/zinc/62/79/27/388627927.db2.gz IKLMGCJMQRDXLA-AGIUHOORSA-N 1 3 226.364 1.520 20 0 BDADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cn1 ZINC000530221972 388633143 /nfs/dbraw/zinc/63/31/43/388633143.db2.gz QCLVIDDQOSWHOD-QWHCGFSZSA-N 1 3 249.358 1.350 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000530221972 388633146 /nfs/dbraw/zinc/63/31/46/388633146.db2.gz QCLVIDDQOSWHOD-QWHCGFSZSA-N 1 3 249.358 1.350 20 0 BDADHO CC1(C)CC(CN2CCCO[C@H](C[NH3+])C2)C1 ZINC000530222217 388633269 /nfs/dbraw/zinc/63/32/69/388633269.db2.gz GHAJWCHVNPYKOE-GFCCVEGCSA-N 1 3 226.364 1.472 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000189508404 388636026 /nfs/dbraw/zinc/63/60/26/388636026.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000189508404 388636027 /nfs/dbraw/zinc/63/60/27/388636027.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000189508404 388636030 /nfs/dbraw/zinc/63/60/30/388636030.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000189508404 388636032 /nfs/dbraw/zinc/63/60/32/388636032.db2.gz VBVHIQYDJUAVFV-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1CC(F)(F)CCN1CCN1CC[NH2+]CC1 ZINC000530231177 388636774 /nfs/dbraw/zinc/63/67/74/388636774.db2.gz FMJHNMNNBNPYFH-LLVKDONJSA-N 1 3 247.333 1.011 20 0 BDADHO COc1ccc(CCNC[C@@H]2CCC[NH2+]C2)cn1 ZINC000530243320 388639016 /nfs/dbraw/zinc/63/90/16/388639016.db2.gz HLSKXSXIHLGNBF-CYBMUJFWSA-N 1 3 249.358 1.222 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1)C1CC1 ZINC000223057316 388646891 /nfs/dbraw/zinc/64/68/91/388646891.db2.gz YVOLLRASIUISTF-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000246875852 388654183 /nfs/dbraw/zinc/65/41/83/388654183.db2.gz DSRUCNLBJNKYHG-AAVRWANBSA-N 1 3 239.407 1.399 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000227559668 388753478 /nfs/dbraw/zinc/75/34/78/388753478.db2.gz HHRAMLWQPCMAKD-UTUOFQBUSA-N 1 3 214.353 1.255 20 0 BDADHO CO[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[C@@H]1C ZINC000251795820 388754029 /nfs/dbraw/zinc/75/40/29/388754029.db2.gz MBPUVDPJNCNBIO-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[C@@H]1C ZINC000251795820 388754031 /nfs/dbraw/zinc/75/40/31/388754031.db2.gz MBPUVDPJNCNBIO-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)[NH+]1CCC(NCC2=CCCOC2)CC1 ZINC000126278783 388694044 /nfs/dbraw/zinc/69/40/44/388694044.db2.gz OPZSTWSMRRLJCF-UHFFFAOYSA-N 1 3 238.375 1.796 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226062238 388699884 /nfs/dbraw/zinc/69/98/84/388699884.db2.gz BIBQEOWUDDCYOX-WOPDTQHZSA-N 1 3 228.380 1.643 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248982412 388701876 /nfs/dbraw/zinc/70/18/76/388701876.db2.gz FWENTQYXOJLASG-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248982412 388701878 /nfs/dbraw/zinc/70/18/78/388701878.db2.gz FWENTQYXOJLASG-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000249072747 388706841 /nfs/dbraw/zinc/70/68/41/388706841.db2.gz QPPZVSCGZFRGRE-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000249072747 388706842 /nfs/dbraw/zinc/70/68/42/388706842.db2.gz QPPZVSCGZFRGRE-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@@](C)(O)CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000249367937 388718028 /nfs/dbraw/zinc/71/80/28/388718028.db2.gz MUACZSFLIAYLIY-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CC[C@@](C)(O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000249367937 388718029 /nfs/dbraw/zinc/71/80/29/388718029.db2.gz MUACZSFLIAYLIY-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC000127481011 388724598 /nfs/dbraw/zinc/72/45/98/388724598.db2.gz NUXPMRKTGBOCEM-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC000127481011 388724601 /nfs/dbraw/zinc/72/46/01/388724601.db2.gz NUXPMRKTGBOCEM-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000228063124 388767845 /nfs/dbraw/zinc/76/78/45/388767845.db2.gz LVCASHZEYSNZAZ-YNEHKIRRSA-N 1 3 228.380 1.730 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000228063124 388767848 /nfs/dbraw/zinc/76/78/48/388767848.db2.gz LVCASHZEYSNZAZ-YNEHKIRRSA-N 1 3 228.380 1.730 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C)CC2)CCN1C ZINC000093978068 388856856 /nfs/dbraw/zinc/85/68/56/388856856.db2.gz AHOYTSCOKMUKDO-DGCLKSJQSA-N 1 3 225.380 1.153 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000564986151 388904825 /nfs/dbraw/zinc/90/48/25/388904825.db2.gz GOUOXSNCXHZQTC-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000564986151 388904828 /nfs/dbraw/zinc/90/48/28/388904828.db2.gz GOUOXSNCXHZQTC-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000565718150 388966108 /nfs/dbraw/zinc/96/61/08/388966108.db2.gz HKONPHPLPALHIG-GRYCIOLGSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000565718150 388966110 /nfs/dbraw/zinc/96/61/10/388966110.db2.gz HKONPHPLPALHIG-GRYCIOLGSA-N 1 3 241.379 1.055 20 0 BDADHO C[C@H](NCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491232 389033698 /nfs/dbraw/zinc/03/36/98/389033698.db2.gz NBQBNOSYYBXPDO-DZGCQCFKSA-N 1 3 248.370 1.479 20 0 BDADHO C[C@H](NCCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491232 389033694 /nfs/dbraw/zinc/03/36/94/389033694.db2.gz NBQBNOSYYBXPDO-DZGCQCFKSA-N 1 3 248.370 1.479 20 0 BDADHO CC[NH+]1CCC(NCCc2cc(C)no2)CC1 ZINC000353988665 535473833 /nfs/dbraw/zinc/47/38/33/535473833.db2.gz WOCCADGNJCPVMX-UHFFFAOYSA-N 1 3 237.347 1.599 20 0 BDADHO C(N[C@@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000335644332 533368119 /nfs/dbraw/zinc/36/81/19/533368119.db2.gz TVZPODWWZVUALO-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000168739847 533368555 /nfs/dbraw/zinc/36/85/55/533368555.db2.gz BDUVJRBPKKCHBC-VXGBXAGGSA-N 1 3 212.337 1.287 20 0 BDADHO O[C@H]1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000297306745 132221660 /nfs/dbraw/zinc/22/16/60/132221660.db2.gz BOOFRSJHHVINKQ-XBXGTLAGSA-N 1 3 247.342 1.163 20 0 BDADHO Cn1ccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000350178095 133942112 /nfs/dbraw/zinc/94/21/12/133942112.db2.gz WUULWLOCCHNFQG-UHFFFAOYSA-N 1 3 235.375 1.799 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000167602076 134152852 /nfs/dbraw/zinc/15/28/52/134152852.db2.gz XCDVJGXIZSTOCN-SRVKXCTJSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000167602076 134152853 /nfs/dbraw/zinc/15/28/53/134152853.db2.gz XCDVJGXIZSTOCN-SRVKXCTJSA-N 1 3 214.353 1.328 20 0 BDADHO COCC[C@H](C)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167602076 134152854 /nfs/dbraw/zinc/15/28/54/134152854.db2.gz XCDVJGXIZSTOCN-SRVKXCTJSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@H](C(=O)NCC[C@H](C)[NH3+])N1CCCCCC1 ZINC000178631472 134312054 /nfs/dbraw/zinc/31/20/54/134312054.db2.gz ZTJCXGSEZDFJGO-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000182237082 134343548 /nfs/dbraw/zinc/34/35/48/134343548.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000182237082 134343549 /nfs/dbraw/zinc/34/35/49/134343549.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000182237082 134343550 /nfs/dbraw/zinc/34/35/50/134343550.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 1 3 226.364 1.437 20 0 BDADHO CO[C@H](C)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000182237082 134343551 /nfs/dbraw/zinc/34/35/51/134343551.db2.gz CUHKNBTVCKJBTK-JHJVBQTASA-N 1 3 226.364 1.437 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000224375071 134346583 /nfs/dbraw/zinc/34/65/83/134346583.db2.gz JZLDMBDUKQMWSO-HOAMVYINSA-N 1 3 238.375 1.770 20 0 BDADHO CCOC1CC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000224375071 134346584 /nfs/dbraw/zinc/34/65/84/134346584.db2.gz JZLDMBDUKQMWSO-HOAMVYINSA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000227919312 134399280 /nfs/dbraw/zinc/39/92/80/134399280.db2.gz VLVBEXKFOLTPPI-STQMWFEESA-N 1 3 242.407 1.892 20 0 BDADHO CC[C@@H](COC)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000070657829 135007007 /nfs/dbraw/zinc/00/70/07/135007007.db2.gz IRKVWCZGBHLILB-WODVXLOZSA-N 1 3 226.364 1.626 20 0 BDADHO CC[C@@H](COC)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000070657829 135007009 /nfs/dbraw/zinc/00/70/09/135007009.db2.gz IRKVWCZGBHLILB-WODVXLOZSA-N 1 3 226.364 1.626 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248986566 135029191 /nfs/dbraw/zinc/02/91/91/135029191.db2.gz XBAZIKGNRDDGIH-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000248986566 135029192 /nfs/dbraw/zinc/02/91/92/135029192.db2.gz XBAZIKGNRDDGIH-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO OC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979614 135061399 /nfs/dbraw/zinc/06/13/99/135061399.db2.gz BEQLPIWTWJNSJZ-OLZOCXBDSA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000250979614 135061401 /nfs/dbraw/zinc/06/14/01/135061401.db2.gz BEQLPIWTWJNSJZ-OLZOCXBDSA-N 1 3 238.375 1.508 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251068975 135062321 /nfs/dbraw/zinc/06/23/21/135062321.db2.gz FAHIOKOCLKYBRN-ZDEQEGDKSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251113399 135064158 /nfs/dbraw/zinc/06/41/58/135064158.db2.gz PJLBJCAMTRHNSM-XDQVBPFNSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000251113399 135064160 /nfs/dbraw/zinc/06/41/60/135064160.db2.gz PJLBJCAMTRHNSM-XDQVBPFNSA-N 1 3 240.391 1.515 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251095263 135064337 /nfs/dbraw/zinc/06/43/37/135064337.db2.gz PUXUXUZWSPHCIN-AAVRWANBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCCO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251187886 135065109 /nfs/dbraw/zinc/06/51/09/135065109.db2.gz INLSAKPEGBTRDC-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251187886 135065111 /nfs/dbraw/zinc/06/51/11/135065111.db2.gz INLSAKPEGBTRDC-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251187886 135065114 /nfs/dbraw/zinc/06/51/14/135065114.db2.gz INLSAKPEGBTRDC-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO OCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000251420290 135069781 /nfs/dbraw/zinc/06/97/81/135069781.db2.gz SDNGISNTJHIRKN-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO OCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000251420290 135069782 /nfs/dbraw/zinc/06/97/82/135069782.db2.gz SDNGISNTJHIRKN-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO C1CC1N1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069918 /nfs/dbraw/zinc/06/99/18/135069918.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 1 3 249.402 1.440 20 0 BDADHO C1CC1N1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000251472199 135069920 /nfs/dbraw/zinc/06/99/20/135069920.db2.gz VXWBCPPDCUIEKU-KCQAQPDRSA-N 1 3 249.402 1.440 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000251762388 135076583 /nfs/dbraw/zinc/07/65/83/135076583.db2.gz KGRROGCMFNPWFZ-YIYPIFLZSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)O1 ZINC000251762388 135076584 /nfs/dbraw/zinc/07/65/84/135076584.db2.gz KGRROGCMFNPWFZ-YIYPIFLZSA-N 1 3 238.375 1.770 20 0 BDADHO CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494383 135086573 /nfs/dbraw/zinc/08/65/73/135086573.db2.gz KQPRSWXKQFCHCR-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250245263 135090897 /nfs/dbraw/zinc/09/08/97/135090897.db2.gz HWLYQCBYACABFC-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO Cc1c[nH+]ccc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252539991 135092795 /nfs/dbraw/zinc/09/27/95/135092795.db2.gz CBUZJFZLILZCRT-QWHCGFSZSA-N 1 3 247.342 1.665 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000252743089 135106294 /nfs/dbraw/zinc/10/62/94/135106294.db2.gz LGCQEHODKJERLN-FIQHERPVSA-N 1 3 212.337 1.271 20 0 BDADHO CCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252844500 135112768 /nfs/dbraw/zinc/11/27/68/135112768.db2.gz DPBFKFOMSOCFDY-SDDRHHMPSA-N 1 3 212.337 1.082 20 0 BDADHO CN(C)C1(CNC2=[NH+]CCCN2)CCCCC1 ZINC000261912095 135113433 /nfs/dbraw/zinc/11/34/33/135113433.db2.gz YMDWLOPIAAFKAK-UHFFFAOYSA-N 1 3 238.379 1.190 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262589638 135119486 /nfs/dbraw/zinc/11/94/86/135119486.db2.gz QNCJRQHLHDBQIS-GVXVVHGQSA-N 1 3 241.379 1.090 20 0 BDADHO C[N@H+](C[C@@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261529472 135155686 /nfs/dbraw/zinc/15/56/86/135155686.db2.gz AULVOYLFWMYDLB-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C[N@@H+](C[C@@H]1CCSC1)[C@H]1CCCNCC1 ZINC000261529472 135155688 /nfs/dbraw/zinc/15/56/88/135155688.db2.gz AULVOYLFWMYDLB-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO CC(C)COCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261530959 135159425 /nfs/dbraw/zinc/15/94/25/135159425.db2.gz DQZMEJYTCNNYNW-NWDGAFQWSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261532136 135162251 /nfs/dbraw/zinc/16/22/51/135162251.db2.gz JHCGBMNTONWLLS-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1N ZINC000261532136 135162253 /nfs/dbraw/zinc/16/22/53/135162253.db2.gz JHCGBMNTONWLLS-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)CC[C@@H]1N ZINC000261532136 135162255 /nfs/dbraw/zinc/16/22/55/135162255.db2.gz JHCGBMNTONWLLS-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C2CCNCC2)C1(C)C ZINC000261532713 135163407 /nfs/dbraw/zinc/16/34/07/135163407.db2.gz DCYAHDZGSJRFIQ-NWDGAFQWSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@@H]1C[C@H](NC2CC[NH2+]CC2)C1(C)C ZINC000261532713 135163408 /nfs/dbraw/zinc/16/34/08/135163408.db2.gz DCYAHDZGSJRFIQ-NWDGAFQWSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000261534100 135165934 /nfs/dbraw/zinc/16/59/34/135165934.db2.gz NBDJCEAGCSTTJY-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCNC[C@H]1C ZINC000261534909 135168677 /nfs/dbraw/zinc/16/86/77/135168677.db2.gz NJPZKYIVEGKNRB-GHMZBOCLSA-N 1 3 214.353 1.247 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000261535533 135169632 /nfs/dbraw/zinc/16/96/32/135169632.db2.gz OMAXGHYIUQOOGE-MNOVXSKESA-N 1 3 228.405 1.717 20 0 BDADHO C[C@]1(CN)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000261535701 135170228 /nfs/dbraw/zinc/17/02/28/135170228.db2.gz PCDQAZNZUQFFBE-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000261535701 135170230 /nfs/dbraw/zinc/17/02/30/135170230.db2.gz PCDQAZNZUQFFBE-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO COCC(C)(C)C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000261539888 135178726 /nfs/dbraw/zinc/17/87/26/135178726.db2.gz DHHZSGUYUQEVDQ-QWRGUYRKSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000261539888 135178727 /nfs/dbraw/zinc/17/87/27/135178727.db2.gz DHHZSGUYUQEVDQ-QWRGUYRKSA-N 1 3 214.353 1.328 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2)C1(C)C ZINC000261540133 135179416 /nfs/dbraw/zinc/17/94/16/135179416.db2.gz DVASKOAQVMRTBF-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000261540133 135179418 /nfs/dbraw/zinc/17/94/18/135179418.db2.gz DVASKOAQVMRTBF-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO CN(CC[C@H]1CCOC1)C1CC[NH2+]CC1 ZINC000261540817 135180094 /nfs/dbraw/zinc/18/00/94/135180094.db2.gz FHHOLLNZXRDQSG-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CCC2(CCC2)C1 ZINC000261548368 135187076 /nfs/dbraw/zinc/18/70/76/135187076.db2.gz NPGRNZWZOPSFMY-LBPRGKRZSA-N 1 3 208.349 1.862 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CCC2(CCC2)C1 ZINC000261548368 135187077 /nfs/dbraw/zinc/18/70/77/135187077.db2.gz NPGRNZWZOPSFMY-LBPRGKRZSA-N 1 3 208.349 1.862 20 0 BDADHO Cc1cnn(CCN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000261549022 135187282 /nfs/dbraw/zinc/18/72/82/135187282.db2.gz KDHIASSEWPTDNB-STQMWFEESA-N 1 3 236.363 1.251 20 0 BDADHO Cn1cc(CCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261550857 135190356 /nfs/dbraw/zinc/19/03/56/135190356.db2.gz RIZOQUJSELHVMN-IHRRRGAJSA-N 1 3 248.374 1.022 20 0 BDADHO Cn1cc(CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261550859 135190443 /nfs/dbraw/zinc/19/04/43/135190443.db2.gz RIZOQUJSELHVMN-MELADBBJSA-N 1 3 248.374 1.022 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)[C@@H]1CCCO1 ZINC000084218346 135192472 /nfs/dbraw/zinc/19/24/72/135192472.db2.gz ORCZWONGARIJRY-QCNOEVLYSA-N 1 3 212.337 1.271 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000084218228 135192513 /nfs/dbraw/zinc/19/25/13/135192513.db2.gz ZJLHCDWDXINTMZ-CHWSQXEVSA-N 1 3 226.364 1.520 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccco1 ZINC000084218833 135192661 /nfs/dbraw/zinc/19/26/61/135192661.db2.gz PDHQOXXLVPORHH-JQWIXIFHSA-N 1 3 208.305 1.539 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000084218833 135192663 /nfs/dbraw/zinc/19/26/63/135192663.db2.gz PDHQOXXLVPORHH-JQWIXIFHSA-N 1 3 208.305 1.539 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000261554639 135194473 /nfs/dbraw/zinc/19/44/73/135194473.db2.gz BAAHUFOLXLNSFE-QJPTWQEYSA-N 1 3 247.342 1.265 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccccc3)C[C@H]12 ZINC000261558207 135198736 /nfs/dbraw/zinc/19/87/36/135198736.db2.gz CZMBIXKLBILUPF-VHDGCEQUSA-N 1 3 246.354 1.735 20 0 BDADHO CC(C)([NH3+])CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000261563793 135205422 /nfs/dbraw/zinc/20/54/22/135205422.db2.gz BZUDHPZDXJZWKO-WDEREUQCSA-N 1 3 212.337 1.082 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCC1 ZINC000261568739 135210452 /nfs/dbraw/zinc/21/04/52/135210452.db2.gz FURRKIAPTHYYGC-NWDGAFQWSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H](O)CN(C[C@H](C)[NH3+])C1CCCCC1 ZINC000261580070 135220974 /nfs/dbraw/zinc/22/09/74/135220974.db2.gz MQHNJQGFDBSRBT-WDEREUQCSA-N 1 3 214.353 1.349 20 0 BDADHO CC1(C)CN(C[C@H]2CCC[NH2+]C2)CC[C@@H]1O ZINC000261589400 135229998 /nfs/dbraw/zinc/22/99/98/135229998.db2.gz TXSJBVKHDCIDHU-RYUDHWBXSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@H]2CCCNC2)CC[C@@H]1O ZINC000261589400 135229999 /nfs/dbraw/zinc/22/99/99/135229999.db2.gz TXSJBVKHDCIDHU-RYUDHWBXSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@@H+](C[C@H]2CCCNC2)CC[C@@H]1O ZINC000261589400 135230001 /nfs/dbraw/zinc/23/00/01/135230001.db2.gz TXSJBVKHDCIDHU-RYUDHWBXSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261591162 135232129 /nfs/dbraw/zinc/23/21/29/135232129.db2.gz VCQZCABLUQSLFG-RWMBFGLXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261591162 135232131 /nfs/dbraw/zinc/23/21/31/135232131.db2.gz VCQZCABLUQSLFG-RWMBFGLXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1CSCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261547013 135239180 /nfs/dbraw/zinc/23/91/80/135239180.db2.gz LOERQXDSPGWNMX-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@H]1CSCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261547013 135239182 /nfs/dbraw/zinc/23/91/82/135239182.db2.gz LOERQXDSPGWNMX-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@H]1CSCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261547013 135239183 /nfs/dbraw/zinc/23/91/83/135239183.db2.gz LOERQXDSPGWNMX-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO CC[C@@]1(CO)CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261684117 135245656 /nfs/dbraw/zinc/24/56/56/135245656.db2.gz AFCQOLYDOUUFKG-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@H](CNC1=[NH+]CCCN1)N1CCC[C@H](C)C1 ZINC000261699474 135246970 /nfs/dbraw/zinc/24/69/70/135246970.db2.gz CJMWWFSCWRTOFE-RYUDHWBXSA-N 1 3 238.379 1.046 20 0 BDADHO c1nc(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)c[nH]1 ZINC000261790386 135253817 /nfs/dbraw/zinc/25/38/17/135253817.db2.gz GDWJZDZXOZVHFF-LBPRGKRZSA-N 1 3 248.374 1.589 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000261833771 135256018 /nfs/dbraw/zinc/25/60/18/135256018.db2.gz JIIBOUWMLFHXBU-HZSPNIEDSA-N 1 3 238.375 1.344 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000261833771 135256019 /nfs/dbraw/zinc/25/60/19/135256019.db2.gz JIIBOUWMLFHXBU-HZSPNIEDSA-N 1 3 238.375 1.344 20 0 BDADHO Cc1ccc(NC(=O)C[C@@H](C)[NH3+])c(CN(C)C)c1 ZINC000261839007 135257164 /nfs/dbraw/zinc/25/71/64/135257164.db2.gz NSNBUZWJWWSKLA-LLVKDONJSA-N 1 3 249.358 1.732 20 0 BDADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261963588 135266688 /nfs/dbraw/zinc/26/66/88/135266688.db2.gz ADYFISGTHTZKST-XQQFMLRXSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261963583 135267126 /nfs/dbraw/zinc/26/71/26/135267126.db2.gz ADYFISGTHTZKST-AVGNSLFASA-N 1 3 226.364 1.676 20 0 BDADHO C[N@H+](CC[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261970204 135268037 /nfs/dbraw/zinc/26/80/37/135268037.db2.gz QGHKHBFPSHSYNK-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261970204 135268038 /nfs/dbraw/zinc/26/80/38/135268038.db2.gz QGHKHBFPSHSYNK-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]([NH2+]C1CCNCC1)[C@H]1CCCCO1 ZINC000261986180 135269541 /nfs/dbraw/zinc/26/95/41/135269541.db2.gz JZELNBBXCIQSQE-CMPLNLGQSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](NC1CC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261986180 135269542 /nfs/dbraw/zinc/26/95/42/135269542.db2.gz JZELNBBXCIQSQE-CMPLNLGQSA-N 1 3 212.337 1.286 20 0 BDADHO CCCN1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000080773414 135384671 /nfs/dbraw/zinc/38/46/71/135384671.db2.gz LAYPKLRXBTXNMV-UHFFFAOYSA-N 1 3 221.348 1.979 20 0 BDADHO C[C@H]1CCCCN1CCC[NH2+]CC1(C)COC1 ZINC000079472574 135397508 /nfs/dbraw/zinc/39/75/08/135397508.db2.gz ZOQFQFGHHSPXES-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1CCCC[N@@H+]1CCCNCC1(C)COC1 ZINC000079472574 135397511 /nfs/dbraw/zinc/39/75/11/135397511.db2.gz ZOQFQFGHHSPXES-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]1CCCC[N@H+]1CCCNCC1(C)COC1 ZINC000079472574 135397512 /nfs/dbraw/zinc/39/75/12/135397512.db2.gz ZOQFQFGHHSPXES-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCCOCC1 ZINC000083424429 135448328 /nfs/dbraw/zinc/44/83/28/135448328.db2.gz XQGXETSULLCRNQ-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CC1(F)CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000257843660 397830566 /nfs/dbraw/zinc/83/05/66/397830566.db2.gz CLFCDRKBPADXQV-JTQLQIEISA-N 1 3 200.301 1.420 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCSC1)[C@@H]1CCCNC1 ZINC000414826316 398048083 /nfs/dbraw/zinc/04/80/83/398048083.db2.gz VKXYNGYQWWFFLD-SDDRHHMPSA-N 1 3 228.405 1.717 20 0 BDADHO CC(C)(CO)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000643475057 398076248 /nfs/dbraw/zinc/07/62/48/398076248.db2.gz ULNIBISUQBXFPD-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO C[NH+]1CCC(CCNCc2ccns2)CC1 ZINC000404418848 398085364 /nfs/dbraw/zinc/08/53/64/398085364.db2.gz HAVHYUNROIOLSF-UHFFFAOYSA-N 1 3 239.388 1.965 20 0 BDADHO CN1CCN(CCC[NH3+])c2ccccc2C1 ZINC000334852433 487573710 /nfs/dbraw/zinc/57/37/10/487573710.db2.gz DJASVQKJIYHIMD-UHFFFAOYSA-N 1 3 219.332 1.287 20 0 BDADHO Cc1cn[nH]c1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000334848334 487573828 /nfs/dbraw/zinc/57/38/28/487573828.db2.gz RIAGGFFGXOCCOP-ZJUUUORDSA-N 1 3 208.309 1.078 20 0 BDADHO CC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662251666 409548296 /nfs/dbraw/zinc/54/82/96/409548296.db2.gz DGVMTWQGCAXHSW-NEPJUHHUSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662251666 409548303 /nfs/dbraw/zinc/54/83/03/409548303.db2.gz DGVMTWQGCAXHSW-NEPJUHHUSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1C[NH+](C[C@@H]2CCC3(CNC3)O2)C[C@H]1C ZINC000662253592 409551113 /nfs/dbraw/zinc/55/11/13/409551113.db2.gz ANXOVWXQOTXFRC-UTUOFQBUSA-N 1 3 224.348 1.095 20 0 BDADHO Cn1cncc1CCCN1CCC(C)([NH3+])CC1 ZINC000662270773 409573136 /nfs/dbraw/zinc/57/31/36/409573136.db2.gz NAQAHGDPFOIREQ-UHFFFAOYSA-N 1 3 236.363 1.166 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@](C)(CN)C1)C1CCCC1 ZINC000662274790 409585426 /nfs/dbraw/zinc/58/54/26/409585426.db2.gz ZYDZMYHFHSWXJS-KGLIPLIRSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@](C)(CN)C1)C1CCCC1 ZINC000662274790 409585430 /nfs/dbraw/zinc/58/54/30/409585430.db2.gz ZYDZMYHFHSWXJS-KGLIPLIRSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)C[C@H](N)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000650714780 410348502 /nfs/dbraw/zinc/34/85/02/410348502.db2.gz BNXQJFWYKVDETP-OCCSQVGLSA-N 1 3 242.407 1.700 20 0 BDADHO C[C@@H]1CNC[C@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715312 410351730 /nfs/dbraw/zinc/35/17/30/410351730.db2.gz XXORCFSNTIXIBP-IACUBPJLSA-N 1 3 245.370 1.611 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1cscn1 ZINC000650745144 410382452 /nfs/dbraw/zinc/38/24/52/410382452.db2.gz ADULGEZWAZIGLL-VIFPVBQESA-N 1 3 225.361 1.923 20 0 BDADHO Cc1cc([C@H](C)NCCC2(C[NH3+])CC2)no1 ZINC000650747118 410385747 /nfs/dbraw/zinc/38/57/47/410385747.db2.gz SDFSCYFXDZEERD-JTQLQIEISA-N 1 3 223.320 1.763 20 0 BDADHO CC(C)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000108324116 410661555 /nfs/dbraw/zinc/66/15/55/410661555.db2.gz PNNLAGBSMWTFJN-LBPRGKRZSA-N 1 3 210.365 1.964 20 0 BDADHO CO[C@H](C)[C@H](C)NCC1([NH3+])CCCC1 ZINC000665249414 410732245 /nfs/dbraw/zinc/73/22/45/410732245.db2.gz PUFAYCXKYCDXRQ-VHSXEESVSA-N 1 3 200.326 1.271 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249414 410732252 /nfs/dbraw/zinc/73/22/52/410732252.db2.gz PUFAYCXKYCDXRQ-VHSXEESVSA-N 1 3 200.326 1.271 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCCc1cccnc1 ZINC000665297374 410814473 /nfs/dbraw/zinc/81/44/73/410814473.db2.gz DVQLEPDPSPYPTC-QWHCGFSZSA-N 1 3 235.375 1.990 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000309420019 167215144 /nfs/dbraw/zinc/21/51/44/167215144.db2.gz JTCCATGKWTULIJ-VXGBXAGGSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000309420019 167215146 /nfs/dbraw/zinc/21/51/46/167215146.db2.gz JTCCATGKWTULIJ-VXGBXAGGSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000309420019 167215149 /nfs/dbraw/zinc/21/51/49/167215149.db2.gz JTCCATGKWTULIJ-VXGBXAGGSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCCN1CC[C@@](C)(C[NH3+])C1 ZINC000336752057 167215743 /nfs/dbraw/zinc/21/57/43/167215743.db2.gz VKHUYGWISAEVCZ-LBPRGKRZSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000336752057 167215744 /nfs/dbraw/zinc/21/57/44/167215744.db2.gz VKHUYGWISAEVCZ-LBPRGKRZSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000336752057 167215745 /nfs/dbraw/zinc/21/57/45/167215745.db2.gz VKHUYGWISAEVCZ-LBPRGKRZSA-N 1 3 214.353 1.472 20 0 BDADHO CC[NH2+]CCCN[C@H](COC)C1CC1 ZINC000397944121 410937984 /nfs/dbraw/zinc/93/79/84/410937984.db2.gz HWFSWMOTPNAOEC-LLVKDONJSA-N 1 3 200.326 1.001 20 0 BDADHO CC(C)[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000104138843 167382177 /nfs/dbraw/zinc/38/21/77/167382177.db2.gz QFGCXQSITLOXTJ-CYBMUJFWSA-N 1 3 241.423 1.647 20 0 BDADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000107786884 411139185 /nfs/dbraw/zinc/13/91/85/411139185.db2.gz ZEELXLCTAUWKDY-UWVGGRQHSA-N 1 3 208.305 1.693 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1N ZINC000400675935 411159067 /nfs/dbraw/zinc/15/90/67/411159067.db2.gz UZWHSHJJBILITO-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1N ZINC000400675935 411159071 /nfs/dbraw/zinc/15/90/71/411159071.db2.gz UZWHSHJJBILITO-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000400675935 411159074 /nfs/dbraw/zinc/15/90/74/411159074.db2.gz UZWHSHJJBILITO-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CCN(CC)CCC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661626283 411091977 /nfs/dbraw/zinc/09/19/77/411091977.db2.gz NWZIVPBIDVSJFB-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO CCC(C)(C)N1CCN(CCC[NH2+]C)CC1 ZINC000655945702 411161272 /nfs/dbraw/zinc/16/12/72/411161272.db2.gz FKKHKTBRDRLKTB-UHFFFAOYSA-N 1 3 227.396 1.402 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C1(C)C ZINC000300392689 411120647 /nfs/dbraw/zinc/12/06/47/411120647.db2.gz VUULUWLACQZUCG-IVZWLZJFSA-N 1 3 200.326 1.127 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CNc3ccccc3C2)C1 ZINC000656193778 411199676 /nfs/dbraw/zinc/19/96/76/411199676.db2.gz RPZLELKLJOKLEP-MGPQQGTHSA-N 1 3 245.370 1.883 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000656200295 411204631 /nfs/dbraw/zinc/20/46/31/411204631.db2.gz LBBKVJKNAUCPMO-MNOVXSKESA-N 1 3 212.337 1.273 20 0 BDADHO COCC1(CN[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000656200019 411205061 /nfs/dbraw/zinc/20/50/61/411205061.db2.gz IJVHIZPPNUNCQR-MNOVXSKESA-N 1 3 212.337 1.001 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@H](C)C[C@H](C)[NH3+] ZINC000656201890 411207626 /nfs/dbraw/zinc/20/76/26/411207626.db2.gz USAMAPNGRFOHDX-QJPTWQEYSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](Cc1ccccn1)[NH2+][C@H](C)C[C@H](C)N ZINC000656201890 411207629 /nfs/dbraw/zinc/20/76/29/411207629.db2.gz USAMAPNGRFOHDX-QJPTWQEYSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)Cc1ccccn1 ZINC000656201895 411208001 /nfs/dbraw/zinc/20/80/01/411208001.db2.gz USAMAPNGRFOHDX-TUAOUCFPSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)Cc1ccccn1 ZINC000656201895 411208003 /nfs/dbraw/zinc/20/80/03/411208003.db2.gz USAMAPNGRFOHDX-TUAOUCFPSA-N 1 3 221.348 1.728 20 0 BDADHO CCOCCC[NH+]1CCC(NCCOC)CC1 ZINC000652344924 411208151 /nfs/dbraw/zinc/20/81/51/411208151.db2.gz XKSVSXDYPIADCW-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652351896 411211786 /nfs/dbraw/zinc/21/17/86/411211786.db2.gz FZZGKERQKSNVAM-KBPBESRZSA-N 1 3 240.391 1.862 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652351896 411211787 /nfs/dbraw/zinc/21/17/87/411211787.db2.gz FZZGKERQKSNVAM-KBPBESRZSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOCC1CC1 ZINC000422884290 411233296 /nfs/dbraw/zinc/23/32/96/411233296.db2.gz DTLKUBSWKNDSAK-YPMHNXCESA-N 1 3 226.364 1.391 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422976202 411234607 /nfs/dbraw/zinc/23/46/07/411234607.db2.gz IBKPEEDPPVZVBF-QLFBSQMISA-N 1 3 248.370 1.970 20 0 BDADHO CC(C)[NH2+]Cc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000658138415 411263564 /nfs/dbraw/zinc/26/35/64/411263564.db2.gz MYIAUHSAVPGQEJ-OAHLLOKOSA-N 1 3 248.370 1.751 20 0 BDADHO CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCCOC1 ZINC000402606141 411272746 /nfs/dbraw/zinc/27/27/46/411272746.db2.gz ULYMXMXAHZFFPI-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@H](C)OC)[C@H](C)C1 ZINC000658170724 411280388 /nfs/dbraw/zinc/28/03/88/411280388.db2.gz MVYMPXPVNGPWEO-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@H](C)OC)[C@H](C)C1 ZINC000658170724 411280389 /nfs/dbraw/zinc/28/03/89/411280389.db2.gz MVYMPXPVNGPWEO-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO COCCN(CC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000051889718 411285646 /nfs/dbraw/zinc/28/56/46/411285646.db2.gz ZZXVLXXOIQHCBC-GFCCVEGCSA-N 1 3 214.353 1.200 20 0 BDADHO CC[N@H+](C[C@@H](N)CC(C)C)[C@@H]1CCCOC1 ZINC000402727410 411310317 /nfs/dbraw/zinc/31/03/17/411310317.db2.gz ZTBTWJHDXFSOGJ-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CC[N@@H+](C[C@@H](N)CC(C)C)[C@@H]1CCCOC1 ZINC000402727410 411310321 /nfs/dbraw/zinc/31/03/21/411310321.db2.gz ZTBTWJHDXFSOGJ-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCC2(C1)CCOCC2 ZINC000303392202 411317841 /nfs/dbraw/zinc/31/78/41/411317841.db2.gz WPIKFOVXOVNTRC-LBPRGKRZSA-N 1 3 224.348 1.098 20 0 BDADHO CC[C@H]1CN(CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403851458 411363242 /nfs/dbraw/zinc/36/32/42/411363242.db2.gz WRCSRLIGLWIKNJ-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH+]1CCC(NCc2cccc(N)c2)CC1 ZINC000656785894 411364786 /nfs/dbraw/zinc/36/47/86/411364786.db2.gz SHMVUXZZGMVBFQ-UHFFFAOYSA-N 1 3 233.359 1.843 20 0 BDADHO c1cc([C@H]2CNCCO2)ccc1N[C@H]1CC[NH2+]C1 ZINC000656793257 411371884 /nfs/dbraw/zinc/37/18/84/411371884.db2.gz SBMXXVUNSXSABO-UONOGXRCSA-N 1 3 247.342 1.121 20 0 BDADHO C[N@H+](C[C@@H](O)CNC[C@]1(C)CC1(F)F)C1CC1 ZINC000656711502 411336787 /nfs/dbraw/zinc/33/67/87/411336787.db2.gz STXQZEUCGSDJGG-QWRGUYRKSA-N 1 3 248.317 1.076 20 0 BDADHO C[N@@H+](C[C@@H](O)CNC[C@]1(C)CC1(F)F)C1CC1 ZINC000656711502 411336792 /nfs/dbraw/zinc/33/67/92/411336792.db2.gz STXQZEUCGSDJGG-QWRGUYRKSA-N 1 3 248.317 1.076 20 0 BDADHO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000658333047 411341130 /nfs/dbraw/zinc/34/11/30/411341130.db2.gz SGHKZJDAWDEKNS-RGDJUOJXSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658333047 411341134 /nfs/dbraw/zinc/34/11/34/411341134.db2.gz SGHKZJDAWDEKNS-RGDJUOJXSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658333047 411341137 /nfs/dbraw/zinc/34/11/37/411341137.db2.gz SGHKZJDAWDEKNS-RGDJUOJXSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000656792598 411372460 /nfs/dbraw/zinc/37/24/60/411372460.db2.gz TXZWOEGIPVXZME-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C[C@H](C)O1 ZINC000656792598 411372461 /nfs/dbraw/zinc/37/24/61/411372461.db2.gz TXZWOEGIPVXZME-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C[C@H](C)O1 ZINC000656792598 411372463 /nfs/dbraw/zinc/37/24/63/411372463.db2.gz TXZWOEGIPVXZME-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H](O)CCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665081 411377170 /nfs/dbraw/zinc/37/71/70/411377170.db2.gz TZMVRWAJJYYAOP-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](O)CCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665081 411377171 /nfs/dbraw/zinc/37/71/71/411377171.db2.gz TZMVRWAJJYYAOP-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCOC1 ZINC000397229568 411410189 /nfs/dbraw/zinc/41/01/89/411410189.db2.gz PTFPACQKMGITOB-IJLUTSLNSA-N 1 3 212.337 1.273 20 0 BDADHO c1cc2c(c(CNCC[C@@H]3CC[NH2+]C3)c1)OCO2 ZINC000414824150 411446403 /nfs/dbraw/zinc/44/64/03/411446403.db2.gz AIBNXHOWSUUSFR-NSHDSACASA-N 1 3 248.326 1.505 20 0 BDADHO CO[C@@H](C[NH+]1CCC(N(C)C)CC1)C1CCC1 ZINC000659836877 411469116 /nfs/dbraw/zinc/46/91/16/411469116.db2.gz BLVCKYKTEBZVQQ-AWEZNQCLSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cnccn1 ZINC000655805716 411520550 /nfs/dbraw/zinc/52/05/50/411520550.db2.gz KLXDWCVSUJZOIE-UTUOFQBUSA-N 1 3 234.347 1.467 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1[C@H](C)CC[C@@H]1C ZINC000660000700 411526366 /nfs/dbraw/zinc/52/63/66/411526366.db2.gz ZIIAOJGCRANBCX-FRRDWIJNSA-N 1 3 228.380 1.560 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1[C@H](C)CC[C@@H]1C ZINC000660000700 411526368 /nfs/dbraw/zinc/52/63/68/411526368.db2.gz ZIIAOJGCRANBCX-FRRDWIJNSA-N 1 3 228.380 1.560 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cn2cccn2)C1 ZINC000122132941 170007631 /nfs/dbraw/zinc/00/76/31/170007631.db2.gz HRYYWSYVGIIJLZ-STQMWFEESA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)Cn2cccn2)C1 ZINC000122132941 170007632 /nfs/dbraw/zinc/00/76/32/170007632.db2.gz HRYYWSYVGIIJLZ-STQMWFEESA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)Cn2cccn2)C1 ZINC000122132941 170007634 /nfs/dbraw/zinc/00/76/34/170007634.db2.gz HRYYWSYVGIIJLZ-STQMWFEESA-N 1 3 236.363 1.203 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)C(C)(C)OC)C1 ZINC000300921364 170010666 /nfs/dbraw/zinc/01/06/66/170010666.db2.gz DWMRCSBSGGDQPJ-NEPJUHHUSA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)O)C[C@@H]1C ZINC000336691409 170018262 /nfs/dbraw/zinc/01/82/62/170018262.db2.gz LNZMECABCNOBID-TUAOUCFPSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)O)C[C@@H]1C ZINC000336691409 170018263 /nfs/dbraw/zinc/01/82/63/170018263.db2.gz LNZMECABCNOBID-TUAOUCFPSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCCO)C[C@H]1C ZINC000336650802 170018716 /nfs/dbraw/zinc/01/87/16/170018716.db2.gz TVUZJAMTSLRBLA-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCCO)C[C@H]1C ZINC000336650802 170018718 /nfs/dbraw/zinc/01/87/18/170018718.db2.gz TVUZJAMTSLRBLA-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CC[C@H](C)O)C[C@@H]1C ZINC000336662606 170019756 /nfs/dbraw/zinc/01/97/56/170019756.db2.gz CMAVVFZOUFKLPV-AVGNSLFASA-N 1 3 228.380 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CC[C@H](C)O)C[C@@H]1C ZINC000336662606 170019757 /nfs/dbraw/zinc/01/97/57/170019757.db2.gz CMAVVFZOUFKLPV-AVGNSLFASA-N 1 3 228.380 1.562 20 0 BDADHO CN1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000657563691 411552484 /nfs/dbraw/zinc/55/24/84/411552484.db2.gz UDDYPJQOELPLTJ-ZDUSSCGKSA-N 1 3 239.407 1.543 20 0 BDADHO C(N[C@@H]1CCOC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345932 411633733 /nfs/dbraw/zinc/63/37/33/411633733.db2.gz PDOPOQKHZXNFIN-UONOGXRCSA-N 1 3 238.375 1.487 20 0 BDADHO C(N[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345932 411633738 /nfs/dbraw/zinc/63/37/38/411633738.db2.gz PDOPOQKHZXNFIN-UONOGXRCSA-N 1 3 238.375 1.487 20 0 BDADHO C([NH2+][C@@H]1CCOC1)[C@@H]1CCCN(CC2CC2)C1 ZINC000663345932 411633747 /nfs/dbraw/zinc/63/37/47/411633747.db2.gz PDOPOQKHZXNFIN-UONOGXRCSA-N 1 3 238.375 1.487 20 0 BDADHO COC[C@@H](C[N@@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000660416042 411582177 /nfs/dbraw/zinc/58/21/77/411582177.db2.gz NFWBPGAHXZEOBN-QWHCGFSZSA-N 1 3 244.379 1.064 20 0 BDADHO COC[C@@H](C[N@H+]1CCC[C@H](N(C)C)CC1)OC ZINC000660416042 411582178 /nfs/dbraw/zinc/58/21/78/411582178.db2.gz NFWBPGAHXZEOBN-QWHCGFSZSA-N 1 3 244.379 1.064 20 0 BDADHO C(C[NH2+][C@H]1COC2(CCC2)C1)CN1CCCC1 ZINC000657823932 411607732 /nfs/dbraw/zinc/60/77/32/411607732.db2.gz MDYRGCWAADSAJP-CYBMUJFWSA-N 1 3 238.375 1.774 20 0 BDADHO C(CN[C@H]1COC2(CCC2)C1)C[NH+]1CCCC1 ZINC000657823932 411607733 /nfs/dbraw/zinc/60/77/33/411607733.db2.gz MDYRGCWAADSAJP-CYBMUJFWSA-N 1 3 238.375 1.774 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCCO)C2 ZINC000660658324 411614631 /nfs/dbraw/zinc/61/46/31/411614631.db2.gz DVMAVOFNIMIOMD-ZDUSSCGKSA-N 1 3 226.364 1.177 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCCO)C2 ZINC000660658324 411614632 /nfs/dbraw/zinc/61/46/32/411614632.db2.gz DVMAVOFNIMIOMD-ZDUSSCGKSA-N 1 3 226.364 1.177 20 0 BDADHO CC[C@H](CN1CCC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000660663666 411615865 /nfs/dbraw/zinc/61/58/65/411615865.db2.gz OUCXPZJPQSKLDH-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H](CN1CCC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663666 411615866 /nfs/dbraw/zinc/61/58/66/411615866.db2.gz OUCXPZJPQSKLDH-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](CN1CCC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000660663667 411616127 /nfs/dbraw/zinc/61/61/27/411616127.db2.gz OUCXPZJPQSKLDH-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](CN1CCC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663667 411616128 /nfs/dbraw/zinc/61/61/28/411616128.db2.gz OUCXPZJPQSKLDH-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C12CC(C1)CN2 ZINC000663498579 411681268 /nfs/dbraw/zinc/68/12/68/411681268.db2.gz QLUBJNAFZVQUDG-DEULPLRUSA-N 1 3 248.370 1.286 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCO[C@H]1C ZINC000663500708 411683635 /nfs/dbraw/zinc/68/36/35/411683635.db2.gz UCEKKVMLPWJALY-AXFHLTTASA-N 1 3 200.326 1.127 20 0 BDADHO CCC[C@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151733 412008573 /nfs/dbraw/zinc/00/85/73/412008573.db2.gz JWZXLWYWXYJAMT-GXTWGEPZSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[C@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151733 412008574 /nfs/dbraw/zinc/00/85/74/412008574.db2.gz JWZXLWYWXYJAMT-GXTWGEPZSA-N 1 3 240.391 1.706 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@H](OC)C2CCC2)C1 ZINC000662236145 412033818 /nfs/dbraw/zinc/03/38/18/412033818.db2.gz DADKHVNSTSXLIT-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]CC1CCN(Cc2cc(C)nc(C)n2)CC1 ZINC000662245502 412041727 /nfs/dbraw/zinc/04/17/27/412041727.db2.gz KGKVCZDMNSTWRJ-UHFFFAOYSA-N 1 3 248.374 1.525 20 0 BDADHO CO[C@@H](CN(C)CC(C)(C)C[NH3+])C1CCC1 ZINC000662246777 412042487 /nfs/dbraw/zinc/04/24/87/412042487.db2.gz COGYQRPYXPZHIC-LBPRGKRZSA-N 1 3 228.380 1.718 20 0 BDADHO CO[C@@H](C[N@H+](C)CC(C)(C)CN)C1CCC1 ZINC000662246777 412042489 /nfs/dbraw/zinc/04/24/89/412042489.db2.gz COGYQRPYXPZHIC-LBPRGKRZSA-N 1 3 228.380 1.718 20 0 BDADHO CO[C@@H](C[N@@H+](C)CC(C)(C)CN)C1CCC1 ZINC000662246777 412042490 /nfs/dbraw/zinc/04/24/90/412042490.db2.gz COGYQRPYXPZHIC-LBPRGKRZSA-N 1 3 228.380 1.718 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246237 412043897 /nfs/dbraw/zinc/04/38/97/412043897.db2.gz RSURAQHYLQSMEO-RNJOBUHISA-N 1 3 208.349 1.716 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662246237 412043899 /nfs/dbraw/zinc/04/38/99/412043899.db2.gz RSURAQHYLQSMEO-RNJOBUHISA-N 1 3 208.349 1.716 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H](CN)C1)C1CCCC1 ZINC000662247556 412044446 /nfs/dbraw/zinc/04/44/46/412044446.db2.gz XPUFULZXVOHERZ-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H](CN)C1)C1CCCC1 ZINC000662247556 412044449 /nfs/dbraw/zinc/04/44/49/412044449.db2.gz XPUFULZXVOHERZ-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](CN[C@](C)(C[NH3+])C1CC1)C1CCC1 ZINC000662247916 412045358 /nfs/dbraw/zinc/04/53/58/412045358.db2.gz OOLZQCHHECSPLW-CHWSQXEVSA-N 1 3 226.364 1.519 20 0 BDADHO CC(C)CC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662250262 412045874 /nfs/dbraw/zinc/04/58/74/412045874.db2.gz COOULHHSJVQQBP-GFCCVEGCSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)CC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662250262 412045879 /nfs/dbraw/zinc/04/58/79/412045879.db2.gz COOULHHSJVQQBP-GFCCVEGCSA-N 1 3 226.364 1.485 20 0 BDADHO CCCC[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662249578 412046615 /nfs/dbraw/zinc/04/66/15/412046615.db2.gz OLZDVTXAMPIVQV-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO CCCC[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662249578 412046619 /nfs/dbraw/zinc/04/66/19/412046619.db2.gz OLZDVTXAMPIVQV-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662249630 412047262 /nfs/dbraw/zinc/04/72/62/412047262.db2.gz QQRSDXLLEWVGCF-XQQFMLRXSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662249630 412047264 /nfs/dbraw/zinc/04/72/64/412047264.db2.gz QQRSDXLLEWVGCF-XQQFMLRXSA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252113 412050093 /nfs/dbraw/zinc/05/00/93/412050093.db2.gz MDHUSJSEGYTEJB-NEPJUHHUSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252113 412050097 /nfs/dbraw/zinc/05/00/97/412050097.db2.gz MDHUSJSEGYTEJB-NEPJUHHUSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]([N@H+](C)C[C@@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257722 412051067 /nfs/dbraw/zinc/05/10/67/412051067.db2.gz FWKDFMYYRYMZRF-RYUDHWBXSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H]([N@@H+](C)C[C@@H]1CCC2(CNC2)O1)C1(C)CC1 ZINC000662257722 412051071 /nfs/dbraw/zinc/05/10/71/412051071.db2.gz FWKDFMYYRYMZRF-RYUDHWBXSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000359208390 171079184 /nfs/dbraw/zinc/07/91/84/171079184.db2.gz BSKZAIULNQJQPF-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1COCCN1CC[C@H]1CC[NH2+]C1 ZINC000251641620 171107188 /nfs/dbraw/zinc/10/71/88/171107188.db2.gz FZLHEQWEBGRSAA-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](CO)[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000662300958 412085605 /nfs/dbraw/zinc/08/56/05/412085605.db2.gz NVYYFJVLHNNLAM-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662316746 412099050 /nfs/dbraw/zinc/09/90/50/412099050.db2.gz MKIOEENNWGMIJC-KGLIPLIRSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662316746 412099052 /nfs/dbraw/zinc/09/90/52/412099052.db2.gz MKIOEENNWGMIJC-KGLIPLIRSA-N 1 3 240.391 1.469 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C2CCC2)C1 ZINC000662316746 412099057 /nfs/dbraw/zinc/09/90/57/412099057.db2.gz MKIOEENNWGMIJC-KGLIPLIRSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](N)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328806 412104609 /nfs/dbraw/zinc/10/46/09/412104609.db2.gz VHVOPLPIOZAYEH-LKSINWNRSA-N 1 3 216.328 1.955 20 0 BDADHO C[C@@H](N)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328806 412104613 /nfs/dbraw/zinc/10/46/13/412104613.db2.gz VHVOPLPIOZAYEH-LKSINWNRSA-N 1 3 216.328 1.955 20 0 BDADHO CC[C@@H](COCC1CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000665236057 412176427 /nfs/dbraw/zinc/17/64/27/412176427.db2.gz GKGRIOWAXINQQC-GWCFXTLKSA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)C1CNC1 ZINC000665236057 412176430 /nfs/dbraw/zinc/17/64/30/412176430.db2.gz GKGRIOWAXINQQC-GWCFXTLKSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H]1C[C@@H](C)n2ncnc21 ZINC000665236054 412177308 /nfs/dbraw/zinc/17/73/08/412177308.db2.gz GJHFSNQFJQHFGD-MXWKQRLJSA-N 1 3 237.351 1.391 20 0 BDADHO Cc1ccncc1CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000665238691 412177954 /nfs/dbraw/zinc/17/79/54/412177954.db2.gz ALSLZMABALRQRI-HIFRSBDPSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000665238691 412177958 /nfs/dbraw/zinc/17/79/58/412177958.db2.gz ALSLZMABALRQRI-HIFRSBDPSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000665238996 412180046 /nfs/dbraw/zinc/18/00/46/412180046.db2.gz JWVOIECIKRKHQL-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000665238996 412180048 /nfs/dbraw/zinc/18/00/48/412180048.db2.gz JWVOIECIKRKHQL-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO COCC[C@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000665242223 412184027 /nfs/dbraw/zinc/18/40/27/412184027.db2.gz OVPFNSUURLNVGT-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCO[C@@H]1CC1(F)F ZINC000665244106 412186816 /nfs/dbraw/zinc/18/68/16/412186816.db2.gz GHKORFPYRRPIRF-XHNCKOQMSA-N 1 3 222.279 1.126 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244174 412187695 /nfs/dbraw/zinc/18/76/95/412187695.db2.gz HSIOGQZLMCALAL-DCAQKATOSA-N 1 3 248.317 1.518 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCO[C@H]1CC1(F)F ZINC000665244174 412187696 /nfs/dbraw/zinc/18/76/96/412187696.db2.gz HSIOGQZLMCALAL-DCAQKATOSA-N 1 3 248.317 1.518 20 0 BDADHO Cc1cncc(CCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665273918 412215680 /nfs/dbraw/zinc/21/56/80/412215680.db2.gz GRLDHPCZWIJJGD-NEPJUHHUSA-N 1 3 234.347 1.187 20 0 BDADHO CO[C@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000665246011 412191286 /nfs/dbraw/zinc/19/12/86/412191286.db2.gz WUDHIAGOWDTOOS-NXEZZACHSA-N 1 3 237.347 1.534 20 0 BDADHO [NH3+]C1(CNC2CCC(O)CC2)CCCC1 ZINC000665246929 412191537 /nfs/dbraw/zinc/19/15/37/412191537.db2.gz ROHQSIAUPFEVDK-UHFFFAOYSA-N 1 3 212.337 1.151 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2CCC[C@@H](N)C2)n1 ZINC000665273918 412215685 /nfs/dbraw/zinc/21/56/85/412215685.db2.gz GRLDHPCZWIJJGD-NEPJUHHUSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cncc(CCN[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000665273779 412215783 /nfs/dbraw/zinc/21/57/83/412215783.db2.gz DFUSNABRKRTYTE-UWVGGRQHSA-N 1 3 222.336 1.043 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@@H]1[NH3+])c1ccccn1 ZINC000665232631 412170108 /nfs/dbraw/zinc/17/01/08/412170108.db2.gz QPYRGZBCDAYYFG-MDZLAQPJSA-N 1 3 219.332 1.655 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)c1ccccn1 ZINC000665232951 412172443 /nfs/dbraw/zinc/17/24/43/412172443.db2.gz YHDOLIWAEJBFTI-DYEKYZERSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccccn1 ZINC000665232951 412172446 /nfs/dbraw/zinc/17/24/46/412172446.db2.gz YHDOLIWAEJBFTI-DYEKYZERSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](N[C@H]1CCN(C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235866 412174430 /nfs/dbraw/zinc/17/44/30/412174430.db2.gz BHNAJXZDMXYBRG-RWMBFGLXSA-N 1 3 239.407 1.589 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)c2ccccc21 ZINC000665234288 412174765 /nfs/dbraw/zinc/17/47/65/412174765.db2.gz AIPCIEXWFRWGPN-ILXRZTDVSA-N 1 3 246.354 1.882 20 0 BDADHO COCCC[C@@H](C)[NH2+]CC12CC(C1)CN2 ZINC000665278274 412220578 /nfs/dbraw/zinc/22/05/78/412220578.db2.gz ZZJXCUIXXFDPQT-VOMCLLRMSA-N 1 3 212.337 1.143 20 0 BDADHO C([NH2+][C@@H]1CC[C@H]1C1CCC1)C12CC(C1)CN2 ZINC000665279470 412221805 /nfs/dbraw/zinc/22/18/05/412221805.db2.gz CWZWDUSDONIJRP-OSOQGNGPSA-N 1 3 220.360 1.907 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000665281164 412226085 /nfs/dbraw/zinc/22/60/85/412226085.db2.gz WJQAOYJUSJIAGU-MBNYWOFBSA-N 1 3 239.407 1.575 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000665281165 412226113 /nfs/dbraw/zinc/22/61/13/412226113.db2.gz WJQAOYJUSJIAGU-OUCADQQQSA-N 1 3 239.407 1.575 20 0 BDADHO CC[C@@H](Cn1cncn1)NCC[C@@H]([NH3+])C(C)C ZINC000665281698 412226312 /nfs/dbraw/zinc/22/63/12/412226312.db2.gz JLJKXVBCKFUZSL-NWDGAFQWSA-N 1 3 239.367 1.020 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H](C)Cc1cnccn1 ZINC000665281602 412226556 /nfs/dbraw/zinc/22/65/56/412226556.db2.gz HNSBYPMHZCZLQC-DGCLKSJQSA-N 1 3 236.363 1.371 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000665281451 412226636 /nfs/dbraw/zinc/22/66/36/412226636.db2.gz COXMATQAHJLJBG-YNEHKIRRSA-N 1 3 228.380 1.765 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000665298125 412246286 /nfs/dbraw/zinc/24/62/86/412246286.db2.gz SEXXYDTXBKJJCX-REWJHTLYSA-N 1 3 240.391 1.779 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000665298127 412246808 /nfs/dbraw/zinc/24/68/08/412246808.db2.gz SEXXYDTXBKJJCX-XDQVBPFNSA-N 1 3 240.391 1.779 20 0 BDADHO CN(C(=O)C[C@@H](N)c1ccccc1)C1CC([NH3+])C1 ZINC000294966067 172312511 /nfs/dbraw/zinc/31/25/11/172312511.db2.gz XAXZWAPDJQQOPU-WXRRBKDZSA-N 1 3 247.342 1.025 20 0 BDADHO CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC000336547289 173002939 /nfs/dbraw/zinc/00/29/39/173002939.db2.gz TZBYGCGKHYZMBJ-UHFFFAOYSA-N 1 3 208.349 1.957 20 0 BDADHO CN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC000336547289 173002940 /nfs/dbraw/zinc/00/29/40/173002940.db2.gz TZBYGCGKHYZMBJ-UHFFFAOYSA-N 1 3 208.349 1.957 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CNc1ccncc1 ZINC000044563146 173009928 /nfs/dbraw/zinc/00/99/28/173009928.db2.gz VFKLQFAXYQEPCP-LBPRGKRZSA-N 1 3 205.305 1.978 20 0 BDADHO C[N@H+]1CCCC[C@H]1CNc1ccncc1 ZINC000044563146 173009930 /nfs/dbraw/zinc/00/99/30/173009930.db2.gz VFKLQFAXYQEPCP-LBPRGKRZSA-N 1 3 205.305 1.978 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@H]1CO ZINC000336698533 173026934 /nfs/dbraw/zinc/02/69/34/173026934.db2.gz JIMIIOMNKFYVJP-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCCC[C@H]1CO ZINC000336698533 173026938 /nfs/dbraw/zinc/02/69/38/173026938.db2.gz JIMIIOMNKFYVJP-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCN(CC[NH2+]C2CCCC2)CC1(C)C ZINC000110757864 173081450 /nfs/dbraw/zinc/08/14/50/173081450.db2.gz AGQLCCLLTKEWEF-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CN1CC[C@@H](CNC(N)=[NH2+])[C@H]1c1cccs1 ZINC000361940766 173113290 /nfs/dbraw/zinc/11/32/90/173113290.db2.gz CFRBOCYRDOHLNZ-WPRPVWTQSA-N 1 3 238.360 1.224 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000368606790 173152098 /nfs/dbraw/zinc/15/20/98/173152098.db2.gz FVVPJHFFGTVOPR-SOUVJXGZSA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1CN[C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368606790 173152100 /nfs/dbraw/zinc/15/21/00/173152100.db2.gz FVVPJHFFGTVOPR-SOUVJXGZSA-N 1 3 247.386 1.988 20 0 BDADHO Cn1cccc1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000368606790 173152101 /nfs/dbraw/zinc/15/21/01/173152101.db2.gz FVVPJHFFGTVOPR-SOUVJXGZSA-N 1 3 247.386 1.988 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@@H]2CCC[C@@H]21 ZINC000353521517 173152708 /nfs/dbraw/zinc/15/27/08/173152708.db2.gz PWHVHQRTTFFBNR-NAKRPEOUSA-N 1 3 248.317 1.075 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@@H]2CCC[C@@H]21 ZINC000353521517 173152710 /nfs/dbraw/zinc/15/27/10/173152710.db2.gz PWHVHQRTTFFBNR-NAKRPEOUSA-N 1 3 248.317 1.075 20 0 BDADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@@H]2CCC[C@@H]21 ZINC000353521517 173152714 /nfs/dbraw/zinc/15/27/14/173152714.db2.gz PWHVHQRTTFFBNR-NAKRPEOUSA-N 1 3 248.317 1.075 20 0 BDADHO Cn1cncc1C[NH2+][C@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000377796822 173154625 /nfs/dbraw/zinc/15/46/25/173154625.db2.gz VHXVJUVSOPUCBN-HZSPNIEDSA-N 1 3 248.374 1.383 20 0 BDADHO C[N@H+]1C[C@H]2CN(C[C@H]3Cc4ccccc43)C[C@H]2C1 ZINC000376503380 173196701 /nfs/dbraw/zinc/19/67/01/173196701.db2.gz AFBOTHSWZGJCCO-KFWWJZLASA-N 1 3 242.366 1.820 20 0 BDADHO C[N@@H+]1C[C@H]2CN(C[C@H]3Cc4ccccc43)C[C@H]2C1 ZINC000376503380 173196703 /nfs/dbraw/zinc/19/67/03/173196703.db2.gz AFBOTHSWZGJCCO-KFWWJZLASA-N 1 3 242.366 1.820 20 0 BDADHO CNC(=O)C(C)(C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331978385 173219374 /nfs/dbraw/zinc/21/93/74/173219374.db2.gz MDSYIZVRTQUHON-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000237227554 173389448 /nfs/dbraw/zinc/38/94/48/173389448.db2.gz BKWFGDTVWZDENC-NEPJUHHUSA-N 1 3 247.342 1.472 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237227520 173389643 /nfs/dbraw/zinc/38/96/43/173389643.db2.gz BKWFGDTVWZDENC-VXGBXAGGSA-N 1 3 247.342 1.472 20 0 BDADHO CC(C)COCC[N@@H+]1CCC[C@H](C)[C@@H]1CN ZINC000232663058 487627410 /nfs/dbraw/zinc/62/74/10/487627410.db2.gz MZEBVXMZNIOXST-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)COCC[N@H+]1CCC[C@H](C)[C@@H]1CN ZINC000232663058 487627416 /nfs/dbraw/zinc/62/74/16/487627416.db2.gz MZEBVXMZNIOXST-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO COC1(C[NH2+]C[C@@H](C)CN(C)C)CCCC1 ZINC000336763197 174002689 /nfs/dbraw/zinc/00/26/89/174002689.db2.gz MBYXCAZAOQIMLB-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO COCC(C)(C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352541120 174069120 /nfs/dbraw/zinc/06/91/20/174069120.db2.gz UGVMOQMAEICCIK-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO COCC(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310258619 174076661 /nfs/dbraw/zinc/07/66/61/174076661.db2.gz HFJXDEHSPMXQGB-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310258619 174076663 /nfs/dbraw/zinc/07/66/63/174076663.db2.gz HFJXDEHSPMXQGB-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000310258619 174076666 /nfs/dbraw/zinc/07/66/66/174076666.db2.gz HFJXDEHSPMXQGB-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO COCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746915 174216553 /nfs/dbraw/zinc/21/65/53/174216553.db2.gz BTQJTSVAXUMTIR-FOSCPWQOSA-N 1 3 212.337 1.238 20 0 BDADHO COc1ccc(CC[C@H](C)[NH2+]CCCN)cc1 ZINC000037713692 175093405 /nfs/dbraw/zinc/09/34/05/175093405.db2.gz OZLXKRDWZCJWSG-LBPRGKRZSA-N 1 3 236.359 1.955 20 0 BDADHO COc1ccc2c(c1)C[C@H](NCC[NH3+])CC2 ZINC000133237392 175211681 /nfs/dbraw/zinc/21/16/81/175211681.db2.gz BMCMHASUKPNFAU-GFCCVEGCSA-N 1 3 220.316 1.101 20 0 BDADHO COc1cccc(CN(C)CCOCC[NH3+])c1 ZINC000093232458 175255774 /nfs/dbraw/zinc/25/57/74/175255774.db2.gz TWRRVGFTHCJKMD-UHFFFAOYSA-N 1 3 238.331 1.102 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](N(C)C)CC2)O1 ZINC000370722864 176203535 /nfs/dbraw/zinc/20/35/35/176203535.db2.gz UNWDUZXSTGOVJL-RDBSUJKOSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](N(C)C)CC2)O1 ZINC000370722864 176203536 /nfs/dbraw/zinc/20/35/36/176203536.db2.gz UNWDUZXSTGOVJL-RDBSUJKOSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC1CC(F)(F)C1 ZINC000309100722 176268563 /nfs/dbraw/zinc/26/85/63/176268563.db2.gz FOSWSSSKCRLGAS-SCZZXKLOSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1CC(F)(F)C1 ZINC000309100722 176268564 /nfs/dbraw/zinc/26/85/64/176268564.db2.gz FOSWSSSKCRLGAS-SCZZXKLOSA-N 1 3 218.291 1.714 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C1CCN(C)CC1 ZINC000036908599 176278866 /nfs/dbraw/zinc/27/88/66/176278866.db2.gz OYZLVNPZPCHLKQ-YRGRVCCFSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)N1C ZINC000336895413 176294320 /nfs/dbraw/zinc/29/43/20/176294320.db2.gz YTMXSEOBRQHTEK-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H](C)N1C ZINC000336895413 176294321 /nfs/dbraw/zinc/29/43/21/176294321.db2.gz YTMXSEOBRQHTEK-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000126722298 176367685 /nfs/dbraw/zinc/36/76/85/176367685.db2.gz JCVXEOKSMWMAOC-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CCCOC1 ZINC000126722298 176367687 /nfs/dbraw/zinc/36/76/87/176367687.db2.gz JCVXEOKSMWMAOC-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccs1 ZINC000126712131 176367999 /nfs/dbraw/zinc/36/79/99/176367999.db2.gz NDKVMJFEXHNQOS-ZJUUUORDSA-N 1 3 210.346 1.917 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)CN(C)C ZINC000336738550 176684044 /nfs/dbraw/zinc/68/40/44/176684044.db2.gz KIMDIDOQWFFEDB-UPJWGTAASA-N 1 3 228.380 1.589 20 0 BDADHO C[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)N(C)C ZINC000132032742 176684260 /nfs/dbraw/zinc/68/42/60/176684260.db2.gz MSRNGOLBJHWBGG-DDTOSNHZSA-N 1 3 233.359 1.671 20 0 BDADHO C[C@H](CO)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000678043254 487635896 /nfs/dbraw/zinc/63/58/96/487635896.db2.gz ACBLEKYSOAQDEA-KBPBESRZSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000678043254 487635900 /nfs/dbraw/zinc/63/59/00/487635900.db2.gz ACBLEKYSOAQDEA-KBPBESRZSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000678043254 487635903 /nfs/dbraw/zinc/63/59/03/487635903.db2.gz ACBLEKYSOAQDEA-KBPBESRZSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@H](c1ccccc1)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313383731 177038425 /nfs/dbraw/zinc/03/84/25/177038425.db2.gz JKRVEHOBUXUYHI-TZMCWYRMSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@H](c1ccccc1)[N@H+]1CCCO[C@H](CN)C1 ZINC000313383731 177038426 /nfs/dbraw/zinc/03/84/26/177038426.db2.gz JKRVEHOBUXUYHI-TZMCWYRMSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCSCC1 ZINC000335160049 177174776 /nfs/dbraw/zinc/17/47/76/177174776.db2.gz ZFHFNWOBLVXPBY-CMPLNLGQSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1=CCCOC1 ZINC000348222939 177368993 /nfs/dbraw/zinc/36/89/93/177368993.db2.gz WSLQDOZHSFCYCA-DYEKYZERSA-N 1 3 238.375 1.651 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1=CCCOC1 ZINC000348222939 177368995 /nfs/dbraw/zinc/36/89/95/177368995.db2.gz WSLQDOZHSFCYCA-DYEKYZERSA-N 1 3 238.375 1.651 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000401949922 226363730 /nfs/dbraw/zinc/36/37/30/226363730.db2.gz YWAVXOOYEDKBQV-RDBSUJKOSA-N 1 3 240.391 1.910 20 0 BDADHO COC[C@H](NCCC[NH2+]C1CC1)C1CC1 ZINC000397389253 262745248 /nfs/dbraw/zinc/74/52/48/262745248.db2.gz XDEVYMZWOMMCQQ-LBPRGKRZSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@H]([NH2+]CCCNC1CC1)C1CC1 ZINC000397389253 262745249 /nfs/dbraw/zinc/74/52/49/262745249.db2.gz XDEVYMZWOMMCQQ-LBPRGKRZSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)N(C)C ZINC000088277597 487716240 /nfs/dbraw/zinc/71/62/40/487716240.db2.gz IWRLDQYBDWGJJQ-RYUDHWBXSA-N 1 3 243.395 1.064 20 0 BDADHO C[NH2+]C1CCN(C[C@@H]2CCO[C@@H]2C)CC1 ZINC000234346082 487803599 /nfs/dbraw/zinc/80/35/99/487803599.db2.gz AEKWCKDOMFMDRR-MNOVXSKESA-N 1 3 212.337 1.095 20 0 BDADHO CNC1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000234346082 487803603 /nfs/dbraw/zinc/80/36/03/487803603.db2.gz AEKWCKDOMFMDRR-MNOVXSKESA-N 1 3 212.337 1.095 20 0 BDADHO CC[C@H]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000309242872 487805965 /nfs/dbraw/zinc/80/59/65/487805965.db2.gz LDYHAHBALMJDTE-STQMWFEESA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000309242872 487805970 /nfs/dbraw/zinc/80/59/70/487805970.db2.gz LDYHAHBALMJDTE-STQMWFEESA-N 1 3 228.380 1.419 20 0 BDADHO CC1([NH2+]CCCN)Cc2ccccc2C1 ZINC000414708186 487819372 /nfs/dbraw/zinc/81/93/72/487819372.db2.gz NGKARZLQXUUYRM-UHFFFAOYSA-N 1 3 204.317 1.482 20 0 BDADHO CC1(NCCC[NH3+])Cc2ccccc2C1 ZINC000414708186 487819378 /nfs/dbraw/zinc/81/93/78/487819378.db2.gz NGKARZLQXUUYRM-UHFFFAOYSA-N 1 3 204.317 1.482 20 0 BDADHO CC(C)(C)[C@H]1CCN(CCC[NH3+])C[C@H]1O ZINC000414755684 487821378 /nfs/dbraw/zinc/82/13/78/487821378.db2.gz ICYJUMAPIBTHMK-WDEREUQCSA-N 1 3 214.353 1.064 20 0 BDADHO NCCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000415080133 487836252 /nfs/dbraw/zinc/83/62/52/487836252.db2.gz LBZKKWHEFLMBFR-LBPRGKRZSA-N 1 3 204.317 1.655 20 0 BDADHO CC[C@@H]1CN(CCCCOC)CC[C@H]1[NH3+] ZINC000252874086 487837098 /nfs/dbraw/zinc/83/70/98/487837098.db2.gz VWBGBWSKSPZLEW-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)(CO)[C@@H](NCCC[NH3+])c1ccccc1 ZINC000415094189 487837436 /nfs/dbraw/zinc/83/74/36/487837436.db2.gz DGWQAWYCQBIEEX-ZDUSSCGKSA-N 1 3 236.359 1.685 20 0 BDADHO C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCO1 ZINC000153068307 487839613 /nfs/dbraw/zinc/83/96/13/487839613.db2.gz VVWNMYOKRIPXLJ-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CCCF ZINC000887141340 592456779 /nfs/dbraw/zinc/45/67/79/592456779.db2.gz OZPNHCIBJPAVMV-LLVKDONJSA-N 1 3 202.317 1.762 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CCCF ZINC000887141340 592456782 /nfs/dbraw/zinc/45/67/82/592456782.db2.gz OZPNHCIBJPAVMV-LLVKDONJSA-N 1 3 202.317 1.762 20 0 BDADHO [NH3+][C@H](CNC[C@H]1CCOc2ccccc21)C1CC1 ZINC000666834212 487870721 /nfs/dbraw/zinc/87/07/21/487870721.db2.gz CBKJBQOCVAKMFF-TZMCWYRMSA-N 1 3 246.354 1.880 20 0 BDADHO C[C@H](CC1CCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000666965377 487896531 /nfs/dbraw/zinc/89/65/31/487896531.db2.gz BMKDYHRMQQPQMP-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H]([NH3+])CNC[C@@H]1CCOc2ccccc21 ZINC000666910457 487901610 /nfs/dbraw/zinc/90/16/10/487901610.db2.gz PBWLQCZWHXQESP-RYUDHWBXSA-N 1 3 234.343 1.880 20 0 BDADHO Cc1ncccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666952228 487914380 /nfs/dbraw/zinc/91/43/80/487914380.db2.gz LLJURSYUTMONDI-CYBMUJFWSA-N 1 3 231.343 1.622 20 0 BDADHO C[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)[C@@H]1CCN ZINC000404296087 487916929 /nfs/dbraw/zinc/91/69/29/487916929.db2.gz DAKVIQLEJWDDIF-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)[C@@H]1CCN ZINC000404296087 487916936 /nfs/dbraw/zinc/91/69/36/487916936.db2.gz DAKVIQLEJWDDIF-MGPQQGTHSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995021 487924754 /nfs/dbraw/zinc/92/47/54/487924754.db2.gz AJPUQLYFYVDWIY-CHWSQXEVSA-N 1 3 248.374 1.536 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995021 487924759 /nfs/dbraw/zinc/92/47/59/487924759.db2.gz AJPUQLYFYVDWIY-CHWSQXEVSA-N 1 3 248.374 1.536 20 0 BDADHO CC[NH2+]CCCN[C@H](COC)C1CCOCC1 ZINC000567638837 323034238 /nfs/dbraw/zinc/03/42/38/323034238.db2.gz KSSYCJSOEVERCC-CYBMUJFWSA-N 1 3 244.379 1.017 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCn2cccn2)C[C@@H]1C[NH3+] ZINC000397352825 323034621 /nfs/dbraw/zinc/03/46/21/323034621.db2.gz DCRHRIXNHKQUBQ-UPJWGTAASA-N 1 3 236.363 1.188 20 0 BDADHO C1CC2(CCOCC2)[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000562962886 323036845 /nfs/dbraw/zinc/03/68/45/323036845.db2.gz XVESFSVTBMBPMV-NEPJUHHUSA-N 1 3 224.348 1.287 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069015 323084464 /nfs/dbraw/zinc/08/44/64/323084464.db2.gz BVPULASDQNMABF-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000563069015 323084465 /nfs/dbraw/zinc/08/44/65/323084465.db2.gz BVPULASDQNMABF-RDBSUJKOSA-N 1 3 238.375 1.582 20 0 BDADHO Cc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000391165263 323099435 /nfs/dbraw/zinc/09/94/35/323099435.db2.gz OTNLDHNSMAMALE-KBPBESRZSA-N 1 3 233.359 1.997 20 0 BDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000570962324 323101700 /nfs/dbraw/zinc/10/17/00/323101700.db2.gz WBRDUZLKUNWYTA-VIFPVBQESA-N 1 3 235.331 1.060 20 0 BDADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)C1CC1 ZINC000531685957 323111088 /nfs/dbraw/zinc/11/10/88/323111088.db2.gz ZFQJWMLSFYWUCI-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(C)[C@H](C)C2)C1 ZINC000531727699 323111554 /nfs/dbraw/zinc/11/15/54/323111554.db2.gz GQAISRONKMGPFK-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563427345 323126237 /nfs/dbraw/zinc/12/62/37/323126237.db2.gz YZGBQJOUZSUZGR-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cn1 ZINC000563427345 323126238 /nfs/dbraw/zinc/12/62/38/323126238.db2.gz YZGBQJOUZSUZGR-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO CC(C)C[N@@H+]1CC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000563528762 323129221 /nfs/dbraw/zinc/12/92/21/323129221.db2.gz FAAJUUOQQIWFKI-RWMBFGLXSA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)C[N@H+]1CC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000563528762 323129222 /nfs/dbraw/zinc/12/92/22/323129222.db2.gz FAAJUUOQQIWFKI-RWMBFGLXSA-N 1 3 228.380 1.323 20 0 BDADHO CC(C)CN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000563528762 323129223 /nfs/dbraw/zinc/12/92/23/323129223.db2.gz FAAJUUOQQIWFKI-RWMBFGLXSA-N 1 3 228.380 1.323 20 0 BDADHO CC[C@H](CCO)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395140090 323188683 /nfs/dbraw/zinc/18/86/83/323188683.db2.gz GSXBLUAZKJHEMO-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cn[nH]c1 ZINC000572001342 323521026 /nfs/dbraw/zinc/52/10/26/323521026.db2.gz MDXWXNRGQJAJAL-SNVBAGLBSA-N 1 3 230.315 1.719 20 0 BDADHO CCNCCC[NH2+][C@H](C)CCCOC ZINC000572234311 323576024 /nfs/dbraw/zinc/57/60/24/323576024.db2.gz REWJUYJOBBSJJB-LLVKDONJSA-N 1 3 202.342 1.391 20 0 BDADHO CNCc1ccccc1NC(=O)CC1(C[NH3+])CC1 ZINC000572355825 323606637 /nfs/dbraw/zinc/60/66/37/323606637.db2.gz BVYYZHUMKZXLSB-UHFFFAOYSA-N 1 3 247.342 1.474 20 0 BDADHO C[C@@H]([NH2+]CC[C@H]1CCCOC1)C1CNC1 ZINC000530208644 324525617 /nfs/dbraw/zinc/52/56/17/324525617.db2.gz GKCNQYGIVZEYAG-GHMZBOCLSA-N 1 3 212.337 1.001 20 0 BDADHO CC1(C)C[C@@H]([NH2+]CC[C@@H]2CCCOC2)CCN1 ZINC000530212957 324528695 /nfs/dbraw/zinc/52/86/95/324528695.db2.gz SGFNHPLIWZYNBT-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109478 325199552 /nfs/dbraw/zinc/19/95/52/325199552.db2.gz KUXJKMIIFIGTHT-SWHYSGLUSA-N 1 3 232.327 1.900 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000565092824 325855896 /nfs/dbraw/zinc/85/58/96/325855896.db2.gz HGEIMXFDMCBNDA-MJBXVCDLSA-N 1 3 242.407 1.761 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352131 326036314 /nfs/dbraw/zinc/03/63/14/326036314.db2.gz XGEMUSPXBHNWGT-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000566352131 326036315 /nfs/dbraw/zinc/03/63/15/326036315.db2.gz XGEMUSPXBHNWGT-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C(C)C)CC1 ZINC000566352131 326036317 /nfs/dbraw/zinc/03/63/17/326036317.db2.gz XGEMUSPXBHNWGT-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCN(C2CCCC2)CC1 ZINC000052061818 487971501 /nfs/dbraw/zinc/97/15/01/487971501.db2.gz KGAIPFJMMRNLDT-ZDUSSCGKSA-N 1 3 237.391 1.156 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688456 326074819 /nfs/dbraw/zinc/07/48/19/326074819.db2.gz ABFXRLVHTFSXAL-WCQGTBRESA-N 1 3 235.331 1.708 20 0 BDADHO C[C@]1(CN2CC[C@@H]3OCC[C@@H]3C2)CC[NH2+]C1 ZINC000566973400 326098615 /nfs/dbraw/zinc/09/86/15/326098615.db2.gz KLDCXWUEBOLYLG-AGIUHOORSA-N 1 3 224.348 1.097 20 0 BDADHO CNC[C@@](C)(O)C[NH+]1CCC(C)(C)CC1 ZINC000567054688 326107612 /nfs/dbraw/zinc/10/76/12/326107612.db2.gz XUPODRJZCWUEQJ-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC(C)(C)CC1 ZINC000567054688 326107615 /nfs/dbraw/zinc/10/76/15/326107615.db2.gz XUPODRJZCWUEQJ-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](c1cnccn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000567888730 326277194 /nfs/dbraw/zinc/27/71/94/326277194.db2.gz PLVCSSBOYHTFTI-LBPRGKRZSA-N 1 3 246.358 1.613 20 0 BDADHO [NH3+]Cc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000568266922 326337665 /nfs/dbraw/zinc/33/76/65/326337665.db2.gz SUPOELVOTMAKIV-NSHDSACASA-N 1 3 244.298 1.620 20 0 BDADHO CC(C)OCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000158923507 487983451 /nfs/dbraw/zinc/98/34/51/487983451.db2.gz GFRIAZFKXLIQTK-GHMZBOCLSA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)OCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000158923649 487983527 /nfs/dbraw/zinc/98/35/27/487983527.db2.gz GFRIAZFKXLIQTK-MNOVXSKESA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001172745817 974920429 /nfs/dbraw/zinc/92/04/29/974920429.db2.gz KSBBYMZLOJOLRG-RYUDHWBXSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172745817 974920437 /nfs/dbraw/zinc/92/04/37/974920437.db2.gz KSBBYMZLOJOLRG-RYUDHWBXSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172745817 974920445 /nfs/dbraw/zinc/92/04/45/974920445.db2.gz KSBBYMZLOJOLRG-RYUDHWBXSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000147569565 488036888 /nfs/dbraw/zinc/03/68/88/488036888.db2.gz QSXNNEAJHQEHIF-UHFFFAOYSA-N 1 3 212.337 1.191 20 0 BDADHO CC[C@H](O)CN(CCC[NH3+])Cc1ccccc1 ZINC000230026385 488038403 /nfs/dbraw/zinc/03/84/03/488038403.db2.gz VICAYMJGHVEFFU-AWEZNQCLSA-N 1 3 236.359 1.608 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](CO)Cc2ccccc2)C1 ZINC000236304124 488056609 /nfs/dbraw/zinc/05/66/09/488056609.db2.gz FSDRREZNGRPVKW-KFWWJZLASA-N 1 3 248.370 1.450 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)CC(C)C ZINC000236712965 488082942 /nfs/dbraw/zinc/08/29/42/488082942.db2.gz ISWFAMIELSFRKH-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)CC(C)C ZINC000236712965 488082945 /nfs/dbraw/zinc/08/29/45/488082945.db2.gz ISWFAMIELSFRKH-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000236711035 488083018 /nfs/dbraw/zinc/08/30/18/488083018.db2.gz OIXUFFGTQZYXKF-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000236711035 488083025 /nfs/dbraw/zinc/08/30/25/488083025.db2.gz OIXUFFGTQZYXKF-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CC(C)[NH2+]CCC(=O)Nc1cccc(CN)c1 ZINC000669508364 488108936 /nfs/dbraw/zinc/10/89/36/488108936.db2.gz ODCWMUHWMYOCQM-UHFFFAOYSA-N 1 3 235.331 1.472 20 0 BDADHO C[C@H]1CCN[C@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508368 488109107 /nfs/dbraw/zinc/10/91/07/488109107.db2.gz OVRVEYPHFBOUOE-GWCFXTLKSA-N 1 3 247.342 1.472 20 0 BDADHO NC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403240762 488118957 /nfs/dbraw/zinc/11/89/57/488118957.db2.gz RALRTLSGMTUDLK-MROQNXINSA-N 1 3 208.349 1.703 20 0 BDADHO NC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403240762 488118964 /nfs/dbraw/zinc/11/89/64/488118964.db2.gz RALRTLSGMTUDLK-MROQNXINSA-N 1 3 208.349 1.703 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667823481 488129794 /nfs/dbraw/zinc/12/97/94/488129794.db2.gz SIBJOFYVQNVTPB-KGYLQXTDSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCOCc1ccccc1 ZINC000309747377 487540797 /nfs/dbraw/zinc/54/07/97/487540797.db2.gz UWJHTLMVDPEMDA-DZGCQCFKSA-N 1 3 248.370 1.872 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000121242946 490080193 /nfs/dbraw/zinc/08/01/93/490080193.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000121242946 490080197 /nfs/dbraw/zinc/08/01/97/490080197.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000121242946 490080202 /nfs/dbraw/zinc/08/02/02/490080202.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000121242946 490080210 /nfs/dbraw/zinc/08/02/10/490080210.db2.gz LMAWHYNLKLPDIC-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO CN(CCC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000258861327 488140279 /nfs/dbraw/zinc/14/02/79/488140279.db2.gz ISVKKELTORIROK-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CO[C@H](CN(C)C1CC[NH2+]CC1)C1CCC1 ZINC000662238814 487471457 /nfs/dbraw/zinc/47/14/57/487471457.db2.gz XIYIKSZMKPADIW-CYBMUJFWSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@H](C[N@H+](C)C1CCNCC1)C1CCC1 ZINC000662238814 487471461 /nfs/dbraw/zinc/47/14/61/487471461.db2.gz XIYIKSZMKPADIW-CYBMUJFWSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@H](C[N@@H+](C)C1CCNCC1)C1CCC1 ZINC000662238814 487471462 /nfs/dbraw/zinc/47/14/62/487471462.db2.gz XIYIKSZMKPADIW-CYBMUJFWSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC2(CCC2)C1 ZINC000381056777 487497343 /nfs/dbraw/zinc/49/73/43/487497343.db2.gz JMYHSNHFYMYERL-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC2(CCC2)C1 ZINC000381056777 487497345 /nfs/dbraw/zinc/49/73/45/487497345.db2.gz JMYHSNHFYMYERL-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](O)CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000666128662 487524957 /nfs/dbraw/zinc/52/49/57/487524957.db2.gz SXTZWCJYUFAAKD-JHJVBQTASA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H](O)C[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000666128662 487524959 /nfs/dbraw/zinc/52/49/59/487524959.db2.gz SXTZWCJYUFAAKD-JHJVBQTASA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1COC2(CCC2)C1 ZINC000657859212 488152592 /nfs/dbraw/zinc/15/25/92/488152592.db2.gz RBVOKQATTJDJPO-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO Cc1cnccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000229658759 487935675 /nfs/dbraw/zinc/93/56/75/487935675.db2.gz ZTMIEWBFIISWQN-TZMCWYRMSA-N 1 3 233.359 1.997 20 0 BDADHO c1ccc2c(c1)CC(CN1C[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000685838988 488120391 /nfs/dbraw/zinc/12/03/91/488120391.db2.gz ASISRXREQPOWSB-HOTGVXAUSA-N 1 3 242.366 1.553 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000379801389 488150701 /nfs/dbraw/zinc/15/07/01/488150701.db2.gz MPXQIIOOWQZOFX-CYBMUJFWSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000379801389 488150707 /nfs/dbraw/zinc/15/07/07/488150707.db2.gz MPXQIIOOWQZOFX-CYBMUJFWSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@@H](CO)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000678043406 488178093 /nfs/dbraw/zinc/17/80/93/488178093.db2.gz CETILBKSRGGCDZ-TZMCWYRMSA-N 1 3 240.391 1.279 20 0 BDADHO C[C@@H](CO)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043406 488178099 /nfs/dbraw/zinc/17/80/99/488178099.db2.gz CETILBKSRGGCDZ-TZMCWYRMSA-N 1 3 240.391 1.279 20 0 BDADHO C[C@H](O)CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000085983908 488222387 /nfs/dbraw/zinc/22/23/87/488222387.db2.gz ZHHMBIVWUFPWEC-LBPRGKRZSA-N 1 3 249.358 1.411 20 0 BDADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000683844600 488231566 /nfs/dbraw/zinc/23/15/66/488231566.db2.gz SCTJIBILGJNQDO-BETUJISGSA-N 1 3 232.327 1.386 20 0 BDADHO CN1C[C@@H]2C[N@H+](Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000683844600 488231567 /nfs/dbraw/zinc/23/15/67/488231567.db2.gz SCTJIBILGJNQDO-BETUJISGSA-N 1 3 232.327 1.386 20 0 BDADHO c1ccc([C@@H]2C[C@@H]2CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000678343382 488243516 /nfs/dbraw/zinc/24/35/16/488243516.db2.gz SNWZRFUMKOMUEL-FPCVCCKLSA-N 1 3 242.366 1.941 20 0 BDADHO FCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335011213 490102734 /nfs/dbraw/zinc/10/27/34/490102734.db2.gz UZEQGWGRFQKSFC-LLVKDONJSA-N 1 3 200.301 1.422 20 0 BDADHO FCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335011213 490102739 /nfs/dbraw/zinc/10/27/39/490102739.db2.gz UZEQGWGRFQKSFC-LLVKDONJSA-N 1 3 200.301 1.422 20 0 BDADHO FCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335011213 490102745 /nfs/dbraw/zinc/10/27/45/490102745.db2.gz UZEQGWGRFQKSFC-LLVKDONJSA-N 1 3 200.301 1.422 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2CCC[C@@H]2C1 ZINC000383740015 491090561 /nfs/dbraw/zinc/09/05/61/491090561.db2.gz IDYGMBAKTWMGNB-HZSPNIEDSA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H](C[NH2+]CC[C@@H]1CCOC1)CN1CCCC1 ZINC000400535325 534057708 /nfs/dbraw/zinc/05/77/08/534057708.db2.gz IXVQWYYSRGGQNG-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000400562496 534077572 /nfs/dbraw/zinc/07/75/72/534077572.db2.gz IAOIYJJKTMDZLR-GMXVVIOVSA-N 1 3 225.380 1.199 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000253014071 535978697 /nfs/dbraw/zinc/97/86/97/535978697.db2.gz FRZJISKFOJKXEV-DGAVXFQQSA-N 1 3 240.391 1.658 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](CO)C1 ZINC000217614926 536357885 /nfs/dbraw/zinc/35/78/85/536357885.db2.gz LGHIGZXFUQWJOZ-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](CO)C1 ZINC000217614926 536357888 /nfs/dbraw/zinc/35/78/88/536357888.db2.gz LGHIGZXFUQWJOZ-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)N(C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400551016 528823799 /nfs/dbraw/zinc/82/37/99/528823799.db2.gz XNPGPEOOHWBGTA-NWDGAFQWSA-N 1 3 213.369 1.057 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250491765 535011700 /nfs/dbraw/zinc/01/17/00/535011700.db2.gz HHZSKLWNHDFVEZ-KGLIPLIRSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)N(C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250491765 535011706 /nfs/dbraw/zinc/01/17/06/535011706.db2.gz HHZSKLWNHDFVEZ-KGLIPLIRSA-N 1 3 239.407 1.543 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1(C)C ZINC000261553884 535514782 /nfs/dbraw/zinc/51/47/82/535514782.db2.gz OJRYPNHWBUYXBT-QNWHQSFQSA-N 1 3 240.391 1.778 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)C1(C)C ZINC000261553884 535514788 /nfs/dbraw/zinc/51/47/88/535514788.db2.gz OJRYPNHWBUYXBT-QNWHQSFQSA-N 1 3 240.391 1.778 20 0 BDADHO CC[C@@H]1C[C@H](CN2C[C@H](C)[C@H]([NH3+])C2)CCO1 ZINC000262061738 535900221 /nfs/dbraw/zinc/90/02/21/535900221.db2.gz RESPPVNJCSEIKK-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000336138898 536135834 /nfs/dbraw/zinc/13/58/34/536135834.db2.gz SRTQKIAPNVFTLN-AWEZNQCLSA-N 1 3 238.375 1.749 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC2=CCCOC2)CC1 ZINC000336138898 536135840 /nfs/dbraw/zinc/13/58/40/536135840.db2.gz SRTQKIAPNVFTLN-AWEZNQCLSA-N 1 3 238.375 1.749 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000262022931 536646237 /nfs/dbraw/zinc/64/62/37/536646237.db2.gz YISXZRLPTDTBKF-YNEHKIRRSA-N 1 3 226.364 1.519 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 ZINC000261967509 536646390 /nfs/dbraw/zinc/64/63/90/536646390.db2.gz BSSYFLCJQOIDJX-IJLUTSLNSA-N 1 3 212.337 1.128 20 0 BDADHO COc1ccccc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000230287021 537040260 /nfs/dbraw/zinc/04/02/60/537040260.db2.gz HLVFAVJYALXGHD-KBPBESRZSA-N 1 3 248.370 1.955 20 0 BDADHO COc1ccccc1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000230287021 537040262 /nfs/dbraw/zinc/04/02/62/537040262.db2.gz HLVFAVJYALXGHD-KBPBESRZSA-N 1 3 248.370 1.955 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@H](CN)C1)C1CCCC1 ZINC000852744319 583016455 /nfs/dbraw/zinc/01/64/55/583016455.db2.gz YIQGFIHCBLVXAL-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@H](CN)C1)C1CCCC1 ZINC000852744319 583016457 /nfs/dbraw/zinc/01/64/57/583016457.db2.gz YIQGFIHCBLVXAL-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](CN1CCC[C@H](C[NH3+])C1)C1CCCC1 ZINC000852744319 583016459 /nfs/dbraw/zinc/01/64/59/583016459.db2.gz YIQGFIHCBLVXAL-TZMCWYRMSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+]CC23CC(C2)CN3)CCO1 ZINC000853245634 588728628 /nfs/dbraw/zinc/72/86/28/588728628.db2.gz AGZHWERSIRFLJO-ZIHBUVQPSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@H]1C[C@H](CNCC23CC(C2)C[NH2+]3)CCO1 ZINC000853245634 588728629 /nfs/dbraw/zinc/72/86/29/588728629.db2.gz AGZHWERSIRFLJO-ZIHBUVQPSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@]12OCCC[C@H]1C2(F)F ZINC000854229757 588781092 /nfs/dbraw/zinc/78/10/92/588781092.db2.gz WQYDKKGVJBBWLG-DBIOUOCHSA-N 1 3 248.317 1.516 20 0 BDADHO CC(C)CNC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000112800789 588817404 /nfs/dbraw/zinc/81/74/04/588817404.db2.gz FTMJLZAMOFHSKI-NSHDSACASA-N 1 3 226.368 1.241 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000804797928 582559333 /nfs/dbraw/zinc/55/93/33/582559333.db2.gz RKRVQWZPBIMZCJ-NSHDSACASA-N 1 3 205.305 1.612 20 0 BDADHO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(N)n1 ZINC000113552496 588843570 /nfs/dbraw/zinc/84/35/70/588843570.db2.gz BSCODHDUXJYIDO-SNVBAGLBSA-N 1 3 235.335 1.121 20 0 BDADHO Cc1cc(NC[C@H]2CCC[N@H+](C)C2)nc(N)n1 ZINC000113552496 588843571 /nfs/dbraw/zinc/84/35/71/588843571.db2.gz BSCODHDUXJYIDO-SNVBAGLBSA-N 1 3 235.335 1.121 20 0 BDADHO Cc1ccc(CCN2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000892251871 582813081 /nfs/dbraw/zinc/81/30/81/582813081.db2.gz KYOQPZTVJMRHNM-IYBDPMFKSA-N 1 3 244.382 1.997 20 0 BDADHO COC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000319189528 582855168 /nfs/dbraw/zinc/85/51/68/582855168.db2.gz OKKQRPJSPUZYEU-CHWSQXEVSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000893888606 583243640 /nfs/dbraw/zinc/24/36/40/583243640.db2.gz KPRGVRGOJDUPGD-JHJVBQTASA-N 1 3 240.391 1.826 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CCCOC1)C2 ZINC000857226501 588895868 /nfs/dbraw/zinc/89/58/68/588895868.db2.gz QDDMBJULAAGOHI-AGIUHOORSA-N 1 3 224.348 1.226 20 0 BDADHO CN1CCC(C[NH+]2CC3(C2)CCCOC3)CC1 ZINC000894828502 583527100 /nfs/dbraw/zinc/52/71/00/583527100.db2.gz NLXCDPCFMSNADZ-UHFFFAOYSA-N 1 3 238.375 1.441 20 0 BDADHO c1nc(CNCCCCC[NH+]2CCCC2)c[nH]1 ZINC000894860677 583534381 /nfs/dbraw/zinc/53/43/81/583534381.db2.gz USLRQBNUIOUHEA-UHFFFAOYSA-N 1 3 236.363 1.765 20 0 BDADHO c1ncc(CNCCCCC[NH+]2CCCC2)[nH]1 ZINC000894860677 583534382 /nfs/dbraw/zinc/53/43/82/583534382.db2.gz USLRQBNUIOUHEA-UHFFFAOYSA-N 1 3 236.363 1.765 20 0 BDADHO C[C@H](CC[NH2+]CCC[C@@H]1CCO1)N(C)C ZINC000895292655 583638799 /nfs/dbraw/zinc/63/87/99/583638799.db2.gz SYNONSFIIWPKAW-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@H](Cc1cnccn1)NCC[C@H](C)[NH+](C)C ZINC000895293821 583639738 /nfs/dbraw/zinc/63/97/38/583639738.db2.gz ROAZHOHNRXDUMA-NEPJUHHUSA-N 1 3 236.363 1.337 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+]CC[C@H](C)N(C)C ZINC000895293821 583639740 /nfs/dbraw/zinc/63/97/40/583639740.db2.gz ROAZHOHNRXDUMA-NEPJUHHUSA-N 1 3 236.363 1.337 20 0 BDADHO COC[C@H](C)CN1CCC(C)([NH+]2CCC2)CC1 ZINC000895671454 583706321 /nfs/dbraw/zinc/70/63/21/583706321.db2.gz PFBSDNCHNVWYTK-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1[C@H](Nc2cc[nH+]cc2C2CC2)CCN1C ZINC000895733911 583717494 /nfs/dbraw/zinc/71/74/94/583717494.db2.gz HOKXQDPLLKCNHG-GXFFZTMASA-N 1 3 231.343 1.885 20 0 BDADHO CCO[C@H](CNCCSCC)C[NH+](C)C ZINC000896880251 583845646 /nfs/dbraw/zinc/84/56/46/583845646.db2.gz SBHLBRSUGIINOM-LLVKDONJSA-N 1 3 234.409 1.296 20 0 BDADHO C[N@H+]1CC=C(CNc2ccnc(CO)c2)CC1 ZINC000858466639 588957444 /nfs/dbraw/zinc/95/74/44/588957444.db2.gz KEHCWSMWKPVGPD-UHFFFAOYSA-N 1 3 233.315 1.248 20 0 BDADHO C[N@@H+]1CC=C(CNc2ccnc(CO)c2)CC1 ZINC000858466639 588957445 /nfs/dbraw/zinc/95/74/45/588957445.db2.gz KEHCWSMWKPVGPD-UHFFFAOYSA-N 1 3 233.315 1.248 20 0 BDADHO C[C@H](NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1C[NH2+]C1 ZINC000873281880 584128580 /nfs/dbraw/zinc/12/85/80/584128580.db2.gz QHEQROHBYUACRI-UKJIMTQDSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CNC1 ZINC000873281880 584128582 /nfs/dbraw/zinc/12/85/82/584128582.db2.gz QHEQROHBYUACRI-UKJIMTQDSA-N 1 3 224.348 1.142 20 0 BDADHO C[C@@H](NC(=[NH2+])NC[C@H]1CCCN(C)C1)C1CC1 ZINC000899266862 584190122 /nfs/dbraw/zinc/19/01/22/584190122.db2.gz IGBMNBSCYHTBRE-GHMZBOCLSA-N 1 3 238.379 1.241 20 0 BDADHO CC1(C[NH2+][C@@H]2CCNCC(C)(C)C2)COC1 ZINC000902319362 584551211 /nfs/dbraw/zinc/55/12/11/584551211.db2.gz MPCBFAVQJGUOKD-LLVKDONJSA-N 1 3 226.364 1.391 20 0 BDADHO CN1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902321352 584552639 /nfs/dbraw/zinc/55/26/39/584552639.db2.gz UVNQKOCWKJPEDI-NWDGAFQWSA-N 1 3 225.380 1.058 20 0 BDADHO CC1(C)[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C[C@@H]1O ZINC000902376329 584567885 /nfs/dbraw/zinc/56/78/85/584567885.db2.gz JGZWSFGMNLBASF-TUAOUCFPSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@@](C)(O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902359225 584570611 /nfs/dbraw/zinc/57/06/11/584570611.db2.gz GNTNGQNDZUPLAR-DGCLKSJQSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@](C)(O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359225 584570613 /nfs/dbraw/zinc/57/06/13/584570613.db2.gz GNTNGQNDZUPLAR-DGCLKSJQSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(CCO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902358709 584570876 /nfs/dbraw/zinc/57/08/76/584570876.db2.gz COAHEERJXSDWSN-GFCCVEGCSA-N 1 3 242.407 1.763 20 0 BDADHO CC(C)[C@@H](CO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902384508 584577259 /nfs/dbraw/zinc/57/72/59/584577259.db2.gz LQCSRMWVXSXQSN-OLZOCXBDSA-N 1 3 242.407 1.619 20 0 BDADHO CC[C@@H]([NH2+][C@H]1CCNCC(C)(C)C1)C(C)(C)O ZINC000902388401 584580109 /nfs/dbraw/zinc/58/01/09/584580109.db2.gz PKQYKKSJPLAGOM-NWDGAFQWSA-N 1 3 242.407 1.904 20 0 BDADHO NOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000902415715 584589419 /nfs/dbraw/zinc/58/94/19/584589419.db2.gz POVDKSJEYARRCI-YNEHKIRRSA-N 1 3 241.379 1.167 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000902432722 584595440 /nfs/dbraw/zinc/59/54/40/584595440.db2.gz WVEJIXPCZSFCJX-YRRQLQLVSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902431463 584595589 /nfs/dbraw/zinc/59/55/89/584595589.db2.gz FIFHJUGPJKFJGM-AQNFWKISSA-N 1 3 245.370 1.341 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCC[C@@H]1CCCC[C@@H]1O ZINC000902433290 584596243 /nfs/dbraw/zinc/59/62/43/584596243.db2.gz ZWSKIHFKESQAFV-LOWDOPEQSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)[C@@H]1CCC[NH2+]1 ZINC000902435823 584596435 /nfs/dbraw/zinc/59/64/35/584596435.db2.gz VMBMRMRTWHLNKS-AQNFWKISSA-N 1 3 245.370 1.341 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902442039 584597680 /nfs/dbraw/zinc/59/76/80/584597680.db2.gz HJHYOEJLYUIVFJ-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)C[NH2+]C[C@H]1NC1CCN(C2CC2)CC1 ZINC000902445547 584599136 /nfs/dbraw/zinc/59/91/36/584599136.db2.gz QAANAQGWQCXZMF-CYBMUJFWSA-N 1 3 237.391 1.201 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CC2)C12CCC2 ZINC000902413569 584599672 /nfs/dbraw/zinc/59/96/72/584599672.db2.gz OBORVLIJJYISAK-GHMZBOCLSA-N 1 3 224.348 1.415 20 0 BDADHO C[C@@H](NCCN1CCC(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000902454166 584608577 /nfs/dbraw/zinc/60/85/77/584608577.db2.gz GPPIJCZPZFFECV-CHWSQXEVSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462327 584612303 /nfs/dbraw/zinc/61/23/03/584612303.db2.gz UPYMUJRYSVNCKP-QNWHQSFQSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902464262 584613093 /nfs/dbraw/zinc/61/30/93/584613093.db2.gz AWJMYYYNLJTCQN-QNSTZXKLSA-N 1 3 238.375 1.673 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@H]1CCCCCN1 ZINC000902481227 584623203 /nfs/dbraw/zinc/62/32/03/584623203.db2.gz BSLYEXUGNYJZGO-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902511466 584623551 /nfs/dbraw/zinc/62/35/51/584623551.db2.gz FBOQVZRVOSZRCJ-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000902511466 584623552 /nfs/dbraw/zinc/62/35/52/584623552.db2.gz FBOQVZRVOSZRCJ-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCCN2)[C@H](C)O1 ZINC000902481736 584623916 /nfs/dbraw/zinc/62/39/16/584623916.db2.gz GHGJJMRYDAPYOT-VOAKCMCISA-N 1 3 226.364 1.674 20 0 BDADHO [NH3+]C[C@H]1C[C@H](N[C@H]2CCCc3cccnc32)C1 ZINC000902483784 584624927 /nfs/dbraw/zinc/62/49/27/584624927.db2.gz BSNIVWGFVKEBKF-DRZSPHRISA-N 1 3 231.343 1.786 20 0 BDADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000902485969 584625441 /nfs/dbraw/zinc/62/54/41/584625441.db2.gz DGBDYIRPQSAURK-FXPVBKGRSA-N 1 3 223.295 1.609 20 0 BDADHO Cc1ncccc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902514138 584629244 /nfs/dbraw/zinc/62/92/44/584629244.db2.gz QSZVSTHWCMRTTR-YIONKMFJSA-N 1 3 245.370 1.805 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000902513897 584629620 /nfs/dbraw/zinc/62/96/20/584629620.db2.gz PESVUIRWWLEFFD-ZIAGYGMSSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000902513897 584629621 /nfs/dbraw/zinc/62/96/21/584629621.db2.gz PESVUIRWWLEFFD-ZIAGYGMSSA-N 1 3 233.359 1.650 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2COC[C@@H]2C2CC2)C1 ZINC000902522021 584631506 /nfs/dbraw/zinc/63/15/06/584631506.db2.gz VEWZLXYNGAESFD-XQHKEYJVSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC12CCCC2)CN(C)C ZINC000903174725 584732609 /nfs/dbraw/zinc/73/26/09/584732609.db2.gz NBNIGLWPDBGMPS-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2C)[C@@H](C)C1 ZINC000903302881 584745319 /nfs/dbraw/zinc/74/53/19/584745319.db2.gz HJKBOWIGJPBIIA-RFQIPJPRSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2C)[C@H](C)C1 ZINC000903302883 584745463 /nfs/dbraw/zinc/74/54/63/584745463.db2.gz HJKBOWIGJPBIIA-YIYPIFLZSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]2C)[C@@H](C)C1 ZINC000903302882 584745517 /nfs/dbraw/zinc/74/55/17/584745517.db2.gz HJKBOWIGJPBIIA-XDQVBPFNSA-N 1 3 239.407 1.399 20 0 BDADHO NC[C@H]1c2ccccc2CCN1C[C@H]1CCC[NH2+]1 ZINC000903460459 584766492 /nfs/dbraw/zinc/76/64/92/584766492.db2.gz CWHYHNAXWLFHAP-HIFRSBDPSA-N 1 3 245.370 1.297 20 0 BDADHO C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903454452 584773633 /nfs/dbraw/zinc/77/36/33/584773633.db2.gz ZWSXQYQELAFJEZ-OCCSQVGLSA-N 1 3 238.375 1.629 20 0 BDADHO COC[C@H](C[NH2+][C@@H]1CCNCC1(C)C)C(C)C ZINC000903455514 584773973 /nfs/dbraw/zinc/77/39/73/584773973.db2.gz XZALMHZTHDAJTJ-QWHCGFSZSA-N 1 3 242.407 1.883 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000903472946 584776332 /nfs/dbraw/zinc/77/63/32/584776332.db2.gz XRBQVQGPBUJDSJ-RNJOBUHISA-N 1 3 220.360 1.907 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1CN ZINC000903476844 584777420 /nfs/dbraw/zinc/77/74/20/584777420.db2.gz LRWIZFQYKGFPDK-PZWNZHSQSA-N 1 3 244.329 1.804 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C[C@H]1CN ZINC000903476844 584777421 /nfs/dbraw/zinc/77/74/21/584777421.db2.gz LRWIZFQYKGFPDK-PZWNZHSQSA-N 1 3 244.329 1.804 20 0 BDADHO C[C@H](c1ncccn1)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498494 584779795 /nfs/dbraw/zinc/77/97/95/584779795.db2.gz IEPCBHKKBVJQKM-IJLUTSLNSA-N 1 3 234.347 1.454 20 0 BDADHO Cc1nc([C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)n[nH]1 ZINC000903499686 584779875 /nfs/dbraw/zinc/77/98/75/584779875.db2.gz YNFSBDZOTXTOCD-FXPVBKGRSA-N 1 3 237.351 1.091 20 0 BDADHO [NH3+]C[C@H]1CCN(CCOC2CCSCC2)C1 ZINC000903717096 584792061 /nfs/dbraw/zinc/79/20/61/584792061.db2.gz ZONVXYZCMAPKCW-LLVKDONJSA-N 1 3 244.404 1.179 20 0 BDADHO CC1CC(C[N@@H+]2CC[C@@H](C)[C@H](CN)C2)C1 ZINC000903761588 584797072 /nfs/dbraw/zinc/79/70/72/584797072.db2.gz WUKAGLPOAVZZBD-POOIEITISA-N 1 3 210.365 1.949 20 0 BDADHO CC1CC(C[N@H+]2CC[C@@H](C)[C@H](CN)C2)C1 ZINC000903761588 584797073 /nfs/dbraw/zinc/79/70/73/584797073.db2.gz WUKAGLPOAVZZBD-POOIEITISA-N 1 3 210.365 1.949 20 0 BDADHO C[C@H](O)CN(C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903767190 584798347 /nfs/dbraw/zinc/79/83/47/584798347.db2.gz FFNNBRUJRLMCHR-NWDGAFQWSA-N 1 3 226.364 1.221 20 0 BDADHO CNCCC[N@H+]1CCCSC[C@H]1C ZINC000903829844 584805294 /nfs/dbraw/zinc/80/52/94/584805294.db2.gz MGQGBHICKAXACO-SNVBAGLBSA-N 1 3 202.367 1.423 20 0 BDADHO C[NH2+]CCCN1CCCSC[C@H]1C ZINC000903829844 584805291 /nfs/dbraw/zinc/80/52/91/584805291.db2.gz MGQGBHICKAXACO-SNVBAGLBSA-N 1 3 202.367 1.423 20 0 BDADHO CNCCC[N@@H+]1CCCSC[C@H]1C ZINC000903829844 584805292 /nfs/dbraw/zinc/80/52/92/584805292.db2.gz MGQGBHICKAXACO-SNVBAGLBSA-N 1 3 202.367 1.423 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903856192 584808766 /nfs/dbraw/zinc/80/87/66/584808766.db2.gz QIKITQPULRUASU-KGLIPLIRSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903856192 584808767 /nfs/dbraw/zinc/80/87/67/584808767.db2.gz QIKITQPULRUASU-KGLIPLIRSA-N 1 3 248.374 1.395 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856192 584808768 /nfs/dbraw/zinc/80/87/68/584808768.db2.gz QIKITQPULRUASU-KGLIPLIRSA-N 1 3 248.374 1.395 20 0 BDADHO C[C@]12CSC[C@H]1C[N@H+](C[C@@H]1CCCNC1)C2 ZINC000903871537 584814984 /nfs/dbraw/zinc/81/49/84/584814984.db2.gz RMEIEHNAPPTCRO-UPJWGTAASA-N 1 3 240.416 1.671 20 0 BDADHO C[C@]12CSC[C@H]1C[N@@H+](C[C@@H]1CCCNC1)C2 ZINC000903871537 584814986 /nfs/dbraw/zinc/81/49/86/584814986.db2.gz RMEIEHNAPPTCRO-UPJWGTAASA-N 1 3 240.416 1.671 20 0 BDADHO CC(C)[C@H]1CN(C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903903560 584821045 /nfs/dbraw/zinc/82/10/45/584821045.db2.gz VRDYRVXZDFZBCC-GHMZBOCLSA-N 1 3 249.349 1.241 20 0 BDADHO [NH3+][C@@H](CNCCc1ccc(F)cc1)CC(F)F ZINC000903925638 584823798 /nfs/dbraw/zinc/82/37/98/584823798.db2.gz OYFWTOXCJIVEKD-LLVKDONJSA-N 1 3 246.276 1.940 20 0 BDADHO COCCC[NH2+]Cc1cccc2c1CCNC2 ZINC000903928504 584824257 /nfs/dbraw/zinc/82/42/57/584824257.db2.gz ZRTUNSXRJHYBHX-UHFFFAOYSA-N 1 3 234.343 1.458 20 0 BDADHO C[C@H](CNC[C@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932374 584825194 /nfs/dbraw/zinc/82/51/94/584825194.db2.gz CECQDDOUUMHTDR-NXEZZACHSA-N 1 3 243.301 1.757 20 0 BDADHO CC(C)[C@H]1CN(C[C@H]([NH3+])CC(F)F)CCN1C ZINC000903937110 584826136 /nfs/dbraw/zinc/82/61/36/584826136.db2.gz BMQJYDUGMDYKAI-GHMZBOCLSA-N 1 3 249.349 1.241 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000903974855 584832701 /nfs/dbraw/zinc/83/27/01/584832701.db2.gz ULABVPAUIYRDNC-ZYHUDNBSSA-N 1 3 249.358 1.431 20 0 BDADHO Cc1cc(CNCC[C@@H]2C[NH2+]C[C@H]2C)nn1C ZINC000903978407 584833148 /nfs/dbraw/zinc/83/31/48/584833148.db2.gz DPYCTQOUMWTXLK-ZYHUDNBSSA-N 1 3 236.363 1.064 20 0 BDADHO COC1(CNC[C@@H]2C[NH2+]C[C@H]2C)CCCC1 ZINC000903967064 584834691 /nfs/dbraw/zinc/83/46/91/584834691.db2.gz FZOUJRFSGHICCT-NEPJUHHUSA-N 1 3 226.364 1.391 20 0 BDADHO CCN(CCC(=O)OC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904313686 584863256 /nfs/dbraw/zinc/86/32/56/584863256.db2.gz XUWLIPSLTWQZPH-ZDUSSCGKSA-N 1 3 242.363 1.261 20 0 BDADHO CC[N@H+](CCC(=O)OC)C[C@@]1(C)CCCNC1 ZINC000904313686 584863257 /nfs/dbraw/zinc/86/32/57/584863257.db2.gz XUWLIPSLTWQZPH-ZDUSSCGKSA-N 1 3 242.363 1.261 20 0 BDADHO CC[N@@H+](CCC(=O)OC)C[C@@]1(C)CCCNC1 ZINC000904313686 584863258 /nfs/dbraw/zinc/86/32/58/584863258.db2.gz XUWLIPSLTWQZPH-ZDUSSCGKSA-N 1 3 242.363 1.261 20 0 BDADHO C[C@H](O)[C@@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328242 584865625 /nfs/dbraw/zinc/86/56/25/584865625.db2.gz BSFIKTOZJSTUDJ-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904328242 584865626 /nfs/dbraw/zinc/86/56/26/584865626.db2.gz BSFIKTOZJSTUDJ-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904328242 584865627 /nfs/dbraw/zinc/86/56/27/584865627.db2.gz BSFIKTOZJSTUDJ-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO CN(C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904329506 584865896 /nfs/dbraw/zinc/86/58/96/584865896.db2.gz ZVRCOBFAWGCDIL-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CCCNC1 ZINC000904329506 584865897 /nfs/dbraw/zinc/86/58/97/584865897.db2.gz ZVRCOBFAWGCDIL-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCC[C@@H]1O)C[C@@]1(C)CCCNC1 ZINC000904329506 584865898 /nfs/dbraw/zinc/86/58/98/584865898.db2.gz ZVRCOBFAWGCDIL-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO [NH3+]CC1CC(NCc2nc(C3CC3)cs2)C1 ZINC000904362215 584871991 /nfs/dbraw/zinc/87/19/91/584871991.db2.gz ISOPGLRRKRCSBS-UHFFFAOYSA-N 1 3 237.372 1.847 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+]C1(CO)CC1 ZINC000904361205 584872109 /nfs/dbraw/zinc/87/21/09/584872109.db2.gz XZUBVRFEMRGWDH-JTQLQIEISA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@H](NC1CC(C[NH3+])C1)c1ccccn1 ZINC000904367805 584872882 /nfs/dbraw/zinc/87/28/82/584872882.db2.gz JTLPISRWHWXPNA-KPPDAEKUSA-N 1 3 205.305 1.470 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904363700 584874386 /nfs/dbraw/zinc/87/43/86/584874386.db2.gz MFTCJBJRPNMNBV-KBPBESRZSA-N 1 3 242.407 1.763 20 0 BDADHO CCC(CC)[C@@H](O)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000904363700 584874387 /nfs/dbraw/zinc/87/43/87/584874387.db2.gz MFTCJBJRPNMNBV-KBPBESRZSA-N 1 3 242.407 1.763 20 0 BDADHO CC(C)OCCC[NH2+]C[C@@]1(C)CCCNC1 ZINC000904363673 584874434 /nfs/dbraw/zinc/87/44/34/584874434.db2.gz AZRRQAZAZPIOHN-ZDUSSCGKSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1CO ZINC000904381586 584877024 /nfs/dbraw/zinc/87/70/24/584877024.db2.gz ZERDAMOKVKWUSE-HZSPNIEDSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C[C@H]1CO ZINC000904381586 584877025 /nfs/dbraw/zinc/87/70/25/584877025.db2.gz ZERDAMOKVKWUSE-HZSPNIEDSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C[C@H]1CO ZINC000904381586 584877027 /nfs/dbraw/zinc/87/70/27/584877027.db2.gz ZERDAMOKVKWUSE-HZSPNIEDSA-N 1 3 240.391 1.326 20 0 BDADHO Nc1ccc2c(c1)OCCN(C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904384265 584877130 /nfs/dbraw/zinc/87/71/30/584877130.db2.gz IKILFEGVGMVUQB-GSJFWJNXSA-N 1 3 247.342 1.201 20 0 BDADHO C[C@H](NCCN1CCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912793 584991402 /nfs/dbraw/zinc/99/14/02/584991402.db2.gz IONVZQXFYKGTBY-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@@H](O)C2CC2)CC1 ZINC000838864393 585076451 /nfs/dbraw/zinc/07/64/51/585076451.db2.gz SZDYPKWXFUUUAR-CQSZACIVSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000886839581 585182847 /nfs/dbraw/zinc/18/28/47/585182847.db2.gz HWYKUZDCSAPKRT-AGIUHOORSA-N 1 3 240.391 1.907 20 0 BDADHO CN(CC[NH+]1CCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000760835390 585398688 /nfs/dbraw/zinc/39/86/88/585398688.db2.gz ZNMBHEWLBVHWCU-CQSZACIVSA-N 1 3 237.391 1.251 20 0 BDADHO C[C@@H]1CN(CC[NH+]2CCCC2)[C@H](C)CN1C ZINC000768770460 585543262 /nfs/dbraw/zinc/54/32/62/585543262.db2.gz HNIMBBVEVZZZMV-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H](O)C[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000776522071 585700111 /nfs/dbraw/zinc/70/01/11/585700111.db2.gz ZEVSIWMVDVCCJG-GFCCVEGCSA-N 1 3 236.359 1.561 20 0 BDADHO C[C@@H](O)C[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000776522071 585700112 /nfs/dbraw/zinc/70/01/12/585700112.db2.gz ZEVSIWMVDVCCJG-GFCCVEGCSA-N 1 3 236.359 1.561 20 0 BDADHO C[C@@H](O)CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000776522071 585700113 /nfs/dbraw/zinc/70/01/13/585700113.db2.gz ZEVSIWMVDVCCJG-GFCCVEGCSA-N 1 3 236.359 1.561 20 0 BDADHO C[C@H]1CN(CCC[NH+]2CCCCC2)CCN1C ZINC000781904153 585805224 /nfs/dbraw/zinc/80/52/24/585805224.db2.gz NKFGVGXLLAVBFG-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000783223970 585831129 /nfs/dbraw/zinc/83/11/29/585831129.db2.gz ORIGQXMQQLHLMB-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO C(C1CC1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786670278 585895976 /nfs/dbraw/zinc/89/59/76/585895976.db2.gz ITNAGDQFEIFXDT-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO C(C1CC1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000786670278 585895977 /nfs/dbraw/zinc/89/59/77/585895977.db2.gz ITNAGDQFEIFXDT-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)c1cccc(F)c1 ZINC000817888754 586831846 /nfs/dbraw/zinc/83/18/46/586831846.db2.gz KCSRDXFTTFHNJD-OUJBWJOFSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1COc2ccccc2C1 ZINC000817892647 586832965 /nfs/dbraw/zinc/83/29/65/586832965.db2.gz VWFSFBNPLMNDDX-XQQFMLRXSA-N 1 3 248.370 1.953 20 0 BDADHO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000817891825 586833449 /nfs/dbraw/zinc/83/34/49/586833449.db2.gz HOUIESMCOILDPX-MGPQQGTHSA-N 1 3 234.343 1.498 20 0 BDADHO CSC(C)(C)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000817898219 586835444 /nfs/dbraw/zinc/83/54/44/586835444.db2.gz CIRWURWZUWGVEW-IUCAKERBSA-N 1 3 202.367 1.597 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000817901232 586835721 /nfs/dbraw/zinc/83/57/21/586835721.db2.gz VUVOMOJGESVGBB-GARJFASQSA-N 1 3 246.420 1.470 20 0 BDADHO C[C@@H]1CCCN1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000817911424 586837988 /nfs/dbraw/zinc/83/79/88/586837988.db2.gz AHFBMIXKWBTMEG-AGIUHOORSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H](NCCN1CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912792 586838023 /nfs/dbraw/zinc/83/80/23/586838023.db2.gz IONVZQXFYKGTBY-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCC(C)(O)CC1 ZINC000817913084 586838330 /nfs/dbraw/zinc/83/83/30/586838330.db2.gz NXHVYTYOFTZGRJ-GMKTYKIGSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H](CSC(C)(C)C)NCC1C[NH2+]C1 ZINC000817965221 586853935 /nfs/dbraw/zinc/85/39/35/586853935.db2.gz NYGQAEQHVWNJKE-VIFPVBQESA-N 1 3 216.394 1.716 20 0 BDADHO C[C@@H](CSC(C)(C)C)[NH2+]CC1CNC1 ZINC000817965221 586853936 /nfs/dbraw/zinc/85/39/36/586853936.db2.gz NYGQAEQHVWNJKE-VIFPVBQESA-N 1 3 216.394 1.716 20 0 BDADHO C[C@@H](O)C[NH2+][C@@H](C)c1cccc(CN(C)C)c1 ZINC000820803371 587073054 /nfs/dbraw/zinc/07/30/54/587073054.db2.gz OBIUWAFBAOGTAC-NEPJUHHUSA-N 1 3 236.359 1.780 20 0 BDADHO CCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000830028102 587532464 /nfs/dbraw/zinc/53/24/64/587532464.db2.gz DZMQGRGYRWLYAV-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000830028102 587532465 /nfs/dbraw/zinc/53/24/65/587532465.db2.gz DZMQGRGYRWLYAV-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@H]1CN(CC)CCN1CC[NH+]1CCCC1 ZINC000831964692 587639870 /nfs/dbraw/zinc/63/98/70/587639870.db2.gz FQUZHTAUHHBUIO-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO NCc1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000832223800 587651722 /nfs/dbraw/zinc/65/17/22/587651722.db2.gz WDWNIBAUYQZTPW-GFCCVEGCSA-N 1 3 233.315 1.211 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](N(C)CCN2CCCC2)C1 ZINC000832778611 587688554 /nfs/dbraw/zinc/68/85/54/587688554.db2.gz MPAVKSVIGXVGHM-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)[N@H+]1CC[C@H](N(C)CCN2CCCC2)C1 ZINC000832778611 587688556 /nfs/dbraw/zinc/68/85/56/587688556.db2.gz MPAVKSVIGXVGHM-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCCCCCN(C)CC(=O)N(C)CCC[NH3+] ZINC000832782254 587689046 /nfs/dbraw/zinc/68/90/46/587689046.db2.gz WRKUQFKAYMCQLO-UHFFFAOYSA-N 1 3 243.395 1.306 20 0 BDADHO [NH3+]CCCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000841004975 587934838 /nfs/dbraw/zinc/93/48/38/587934838.db2.gz VAEYQYGSMALEQP-HNNXBMFYSA-N 1 3 248.370 1.781 20 0 BDADHO CC[C@@H]1C[C@H](CNC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000841032317 587937356 /nfs/dbraw/zinc/93/73/56/587937356.db2.gz CKGNAYPITSMKOK-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCCNCC2)CCO1 ZINC000841057128 587940510 /nfs/dbraw/zinc/94/05/10/587940510.db2.gz ILTKIMOAJSQPFK-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO Cc1nn(C)c(Cl)c1CN[C@@H](C)CCC[NH3+] ZINC000841080034 587945156 /nfs/dbraw/zinc/94/51/56/587945156.db2.gz NCXHFSQSGBHSGW-QMMMGPOBSA-N 1 3 244.770 1.599 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000841085444 587945495 /nfs/dbraw/zinc/94/54/95/587945495.db2.gz CLOZOBNDBVYXRN-ZDUSSCGKSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCNc2ccccc2)C1 ZINC000848718599 588408627 /nfs/dbraw/zinc/40/86/27/588408627.db2.gz NRYUAXMVCVVCCH-TZMCWYRMSA-N 1 3 233.359 1.958 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@@H](CC)N1CCCC1 ZINC000848986462 588425637 /nfs/dbraw/zinc/42/56/37/588425637.db2.gz URXOTZNPAJVYFK-VXGBXAGGSA-N 1 3 240.395 1.773 20 0 BDADHO C[C@H](CNC(=[NH2+])NC1CCC1)N1CCCC1 ZINC000848986684 588425824 /nfs/dbraw/zinc/42/58/24/588425824.db2.gz UJLQBDIRLPPHPP-SNVBAGLBSA-N 1 3 224.352 1.137 20 0 BDADHO CCNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000848987276 588426211 /nfs/dbraw/zinc/42/62/11/588426211.db2.gz WXOMLJACCBEQHJ-MNOVXSKESA-N 1 3 226.368 1.383 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CC ZINC000849028044 588441319 /nfs/dbraw/zinc/44/13/19/588441319.db2.gz YYLJZIIASKMSLO-NEPJUHHUSA-N 1 3 240.395 1.773 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)CN(C)C ZINC000849030000 588442383 /nfs/dbraw/zinc/44/23/83/588442383.db2.gz CFROLKQEWHFILO-VXGBXAGGSA-N 1 3 240.395 1.440 20 0 BDADHO C[C@H](CCO)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538887 588558772 /nfs/dbraw/zinc/55/87/72/588558772.db2.gz NSZBHXSOVCJYJW-OLZOCXBDSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@H](CCO)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538887 588558774 /nfs/dbraw/zinc/55/87/74/588558774.db2.gz NSZBHXSOVCJYJW-OLZOCXBDSA-N 1 3 240.391 1.754 20 0 BDADHO Cc1c(F)nccc1C[NH2+][C@H](C)CCN(C)C ZINC000862274093 589198369 /nfs/dbraw/zinc/19/83/69/589198369.db2.gz FCRJWPUUXRGDFS-SNVBAGLBSA-N 1 3 239.338 1.959 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@H]2C2CC2)C[NH2+]1 ZINC000863546214 589296214 /nfs/dbraw/zinc/29/62/14/589296214.db2.gz JZOCDUFOCCFXOM-LPTSXCQYSA-N 1 3 208.349 1.905 20 0 BDADHO [NH3+]CCCOCCNCc1cc(Cl)cs1 ZINC000863649685 589306783 /nfs/dbraw/zinc/30/67/83/589306783.db2.gz GNLWOYWOAVILNZ-UHFFFAOYSA-N 1 3 248.779 1.857 20 0 BDADHO Cc1ccc(CCC[N@@H+](C)C[C@H](C)N)cn1 ZINC000863651411 589307263 /nfs/dbraw/zinc/30/72/63/589307263.db2.gz HQXSREVDHGHYFD-NSHDSACASA-N 1 3 221.348 1.602 20 0 BDADHO Cc1ccc(CCC[N@H+](C)C[C@H](C)N)cn1 ZINC000863651411 589307265 /nfs/dbraw/zinc/30/72/65/589307265.db2.gz HQXSREVDHGHYFD-NSHDSACASA-N 1 3 221.348 1.602 20 0 BDADHO CN1CCN(CCCC[NH2+]C2CCCC2)CC1 ZINC000119641209 589321522 /nfs/dbraw/zinc/32/15/22/589321522.db2.gz NKPPRTGBNIIRBT-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(c3ccnc(CO)c3)CC[C@@H]21 ZINC000866208966 589480521 /nfs/dbraw/zinc/48/05/21/589480521.db2.gz MCFQAXQLYLPDSV-RISCZKNCSA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(c3ccnc(CO)c3)CC[C@@H]21 ZINC000866208966 589480522 /nfs/dbraw/zinc/48/05/22/589480522.db2.gz MCFQAXQLYLPDSV-RISCZKNCSA-N 1 3 247.342 1.104 20 0 BDADHO C[C@@](C[NH3+])(NC[C@@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661392 589508984 /nfs/dbraw/zinc/50/89/84/589508984.db2.gz OPOFHXXTVJGYDS-JSGCOSHPSA-N 1 3 240.391 1.909 20 0 BDADHO CN1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872395512 589932580 /nfs/dbraw/zinc/93/25/80/589932580.db2.gz PYOJKEWJNAQMAG-UHFFFAOYSA-N 1 3 231.343 1.887 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)n1 ZINC000873222290 589999918 /nfs/dbraw/zinc/99/99/18/589999918.db2.gz KVHROZXIWIUNIQ-NSHDSACASA-N 1 3 249.358 1.573 20 0 BDADHO C[C@@H](CCCCO)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234031 590000397 /nfs/dbraw/zinc/00/03/97/590000397.db2.gz BFYLAGHYTPBCHU-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H]1COCC[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873236500 590004163 /nfs/dbraw/zinc/00/41/63/590004163.db2.gz HQJXQJQZMGALTL-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)[C@@H]1CCOC1 ZINC000873234562 590004459 /nfs/dbraw/zinc/00/44/59/590004459.db2.gz GNTUYUOADFEBQQ-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1ccnc(F)c1 ZINC000873240876 590006107 /nfs/dbraw/zinc/00/61/07/590006107.db2.gz CMMZSQSUQJPHNE-NSHDSACASA-N 1 3 241.310 1.064 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1cc2n(n1)CCC2 ZINC000873255879 590010945 /nfs/dbraw/zinc/01/09/45/590010945.db2.gz JPZCNWQIGUPONG-GMTAPVOTSA-N 1 3 234.347 1.217 20 0 BDADHO Cc1ccc([C@H](C)NC[C@H]2C[C@H]([NH3+])C2)o1 ZINC000873256992 590011632 /nfs/dbraw/zinc/01/16/32/590011632.db2.gz CLCJCWJQWAMKMI-DCAQKATOSA-N 1 3 208.305 1.976 20 0 BDADHO Cc1ccc([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)o1 ZINC000873256993 590011711 /nfs/dbraw/zinc/01/17/11/590011711.db2.gz CLCJCWJQWAMKMI-GMTAPVOTSA-N 1 3 208.305 1.976 20 0 BDADHO c1cn2c(n1)[C@@H](NC[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873262256 590014411 /nfs/dbraw/zinc/01/44/11/590014411.db2.gz WOEWXRWYPGLNQS-RNJOBUHISA-N 1 3 246.358 1.448 20 0 BDADHO Cc1nccnc1[C@@H](C)N[C@H](C)C1CC[NH2+]CC1 ZINC000873268617 590015457 /nfs/dbraw/zinc/01/54/57/590015457.db2.gz FVDZGDZHSUEWPZ-ZYHUDNBSSA-N 1 3 248.374 1.824 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877739243 590406414 /nfs/dbraw/zinc/40/64/14/590406414.db2.gz FTLHRMAQHDQCQG-LPWJVIDDSA-N 1 3 208.349 1.668 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000877739243 590406416 /nfs/dbraw/zinc/40/64/16/590406416.db2.gz FTLHRMAQHDQCQG-LPWJVIDDSA-N 1 3 208.349 1.668 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1)C1CC1 ZINC000877741379 590408424 /nfs/dbraw/zinc/40/84/24/590408424.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1)C1CC1 ZINC000877741379 590408426 /nfs/dbraw/zinc/40/84/26/590408426.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1CC1 ZINC000877741379 590408428 /nfs/dbraw/zinc/40/84/28/590408428.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 1 3 238.375 1.437 20 0 BDADHO CO[C@H](CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1CC1 ZINC000877741379 590408430 /nfs/dbraw/zinc/40/84/30/590408430.db2.gz VLNLIRDDHFYOLF-BFHYXJOUSA-N 1 3 238.375 1.437 20 0 BDADHO CCC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1)OC ZINC000877742895 590409581 /nfs/dbraw/zinc/40/95/81/590409581.db2.gz SCKPSIMGAVWZIX-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CCC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1)OC ZINC000877742895 590409584 /nfs/dbraw/zinc/40/95/84/590409584.db2.gz SCKPSIMGAVWZIX-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)[C@@H](O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000878645048 590600149 /nfs/dbraw/zinc/60/01/49/590600149.db2.gz GTMRZYAAMJUQSN-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878645048 590600150 /nfs/dbraw/zinc/60/01/50/590600150.db2.gz GTMRZYAAMJUQSN-KBPBESRZSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878645051 590600474 /nfs/dbraw/zinc/60/04/74/590600474.db2.gz GTMRZYAAMJUQSN-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878645051 590600476 /nfs/dbraw/zinc/60/04/76/590600476.db2.gz GTMRZYAAMJUQSN-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000879320216 590740828 /nfs/dbraw/zinc/74/08/28/590740828.db2.gz DPWBIFKQQQMUKW-MELADBBJSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000879320216 590740829 /nfs/dbraw/zinc/74/08/29/590740829.db2.gz DPWBIFKQQQMUKW-MELADBBJSA-N 1 3 240.391 1.970 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000879569162 590806782 /nfs/dbraw/zinc/80/67/82/590806782.db2.gz KQUZEJCLLXDANN-FRRDWIJNSA-N 1 3 224.348 1.191 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@H]21 ZINC000879569162 590806787 /nfs/dbraw/zinc/80/67/87/590806787.db2.gz KQUZEJCLLXDANN-FRRDWIJNSA-N 1 3 224.348 1.191 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000879569161 590807736 /nfs/dbraw/zinc/80/77/36/590807736.db2.gz KQUZEJCLLXDANN-AGIUHOORSA-N 1 3 224.348 1.191 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCCO3)CC[C@@H]21 ZINC000879569161 590807742 /nfs/dbraw/zinc/80/77/42/590807742.db2.gz KQUZEJCLLXDANN-AGIUHOORSA-N 1 3 224.348 1.191 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580031 590817306 /nfs/dbraw/zinc/81/73/06/590817306.db2.gz DICCNKUPFYANBT-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580031 590817309 /nfs/dbraw/zinc/81/73/09/590817309.db2.gz DICCNKUPFYANBT-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879582098 590822842 /nfs/dbraw/zinc/82/28/42/590822842.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879582098 590822844 /nfs/dbraw/zinc/82/28/44/590822844.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582098 590822846 /nfs/dbraw/zinc/82/28/46/590822846.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 1 3 226.364 1.029 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879582098 590822848 /nfs/dbraw/zinc/82/28/48/590822848.db2.gz PPTXXAIQEPKVIL-RWMBFGLXSA-N 1 3 226.364 1.029 20 0 BDADHO CO[C@H](C)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260027 590980887 /nfs/dbraw/zinc/98/08/87/590980887.db2.gz MJQUFRYTHVBLOG-QWHCGFSZSA-N 1 3 249.358 1.627 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129611408 591339933 /nfs/dbraw/zinc/33/99/33/591339933.db2.gz MMILFXRAWYPNRF-SNPRPXQTSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129611408 591339936 /nfs/dbraw/zinc/33/99/36/591339936.db2.gz MMILFXRAWYPNRF-SNPRPXQTSA-N 1 3 248.370 1.792 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000131112769 591554564 /nfs/dbraw/zinc/55/45/64/591554564.db2.gz ROSPFJYZWWZHMW-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000883356627 591627159 /nfs/dbraw/zinc/62/71/59/591627159.db2.gz RMFAEZICWSHSMY-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356627 591627162 /nfs/dbraw/zinc/62/71/62/591627162.db2.gz RMFAEZICWSHSMY-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356627 591627165 /nfs/dbraw/zinc/62/71/65/591627165.db2.gz RMFAEZICWSHSMY-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000883430728 591661541 /nfs/dbraw/zinc/66/15/41/591661541.db2.gz AZWYRQXLRGTNNR-CYDGBPFRSA-N 1 3 243.370 1.101 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1cccc(CN)c1 ZINC000884358633 591912343 /nfs/dbraw/zinc/91/23/43/591912343.db2.gz USLIKIQOBWPGIU-NEPJUHHUSA-N 1 3 247.342 1.001 20 0 BDADHO CC1([NH3+])CCN(C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886834810 592357380 /nfs/dbraw/zinc/35/73/80/592357380.db2.gz CZUHZJVBUHJGJU-DGCLKSJQSA-N 1 3 224.348 1.226 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C2CC(OC)C2)C1 ZINC000220843740 592364431 /nfs/dbraw/zinc/36/44/31/592364431.db2.gz ZHMMEGBTPGQYSB-UNXYVOJBSA-N 1 3 212.337 1.095 20 0 BDADHO CC[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133074 592448424 /nfs/dbraw/zinc/44/84/24/592448424.db2.gz SSEAZDWVQVJRAU-GXTWGEPZSA-N 1 3 249.358 1.363 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300231338 592505169 /nfs/dbraw/zinc/50/51/69/592505169.db2.gz GRMILDFQIMCGRW-TUAOUCFPSA-N 1 3 214.353 1.253 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705274 634387955 /nfs/dbraw/zinc/38/79/55/634387955.db2.gz AYOMFNWNVGDVMH-RMPHRYRLSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C12CCC2 ZINC000925705274 634387958 /nfs/dbraw/zinc/38/79/58/634387958.db2.gz AYOMFNWNVGDVMH-RMPHRYRLSA-N 1 3 222.332 1.166 20 0 BDADHO CC1CC(C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925719616 634455826 /nfs/dbraw/zinc/45/58/26/634455826.db2.gz AUUZJEWNSVYOAJ-MCIGGMRASA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000313612800 634499032 /nfs/dbraw/zinc/49/90/32/634499032.db2.gz OQJWCQZFKBXCLG-NWANDNLSSA-N 1 3 248.370 1.637 20 0 BDADHO C[NH2+]CC1CCN(C/C=C/Cl)CC1 ZINC000063166063 635469509 /nfs/dbraw/zinc/46/95/09/635469509.db2.gz AFCBQLVRMZXTNU-GORDUTHDSA-N 1 3 202.729 1.670 20 0 BDADHO COC[C@@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000234714117 635559569 /nfs/dbraw/zinc/55/95/69/635559569.db2.gz DVKWUXRVTPFFLI-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000234714117 635559572 /nfs/dbraw/zinc/55/95/72/635559572.db2.gz DVKWUXRVTPFFLI-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CCS1 ZINC000925857094 635549657 /nfs/dbraw/zinc/54/96/57/635549657.db2.gz HDZGCYGCVGQMDQ-DDHJBXDOSA-N 1 3 228.405 1.988 20 0 BDADHO CC[NH+](CC)CCCNc1nc(C)cc(N)n1 ZINC000891435201 631246401 /nfs/dbraw/zinc/24/64/01/631246401.db2.gz YPXGIKCLEQTKDK-UHFFFAOYSA-N 1 3 237.351 1.511 20 0 BDADHO C[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309060180 631835681 /nfs/dbraw/zinc/83/56/81/631835681.db2.gz XIZFDLMKCJJTLR-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000089144653 632657372 /nfs/dbraw/zinc/65/73/72/632657372.db2.gz KJNIISBKSSUVTB-KGLIPLIRSA-N 1 3 233.359 1.731 20 0 BDADHO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)[C@H](C)O ZINC000309978968 632689175 /nfs/dbraw/zinc/68/91/75/632689175.db2.gz VIEBZKSPQHSMDE-MNOVXSKESA-N 1 3 228.380 1.608 20 0 BDADHO C[C@@H](N(C)C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983077 632690127 /nfs/dbraw/zinc/69/01/27/632690127.db2.gz GJRNJCBDBJNOBE-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2OC)C1 ZINC000309371642 632986015 /nfs/dbraw/zinc/98/60/15/632986015.db2.gz POEMHOXNCQWNIT-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925565670 634059494 /nfs/dbraw/zinc/05/94/94/634059494.db2.gz WAJYKJMAFGESQB-NDBYEHHHSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H](CO)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925617508 634165742 /nfs/dbraw/zinc/16/57/42/634165742.db2.gz WKSFKORJLZYFLY-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](CO)N[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617508 634165733 /nfs/dbraw/zinc/16/57/33/634165733.db2.gz WKSFKORJLZYFLY-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO COCC(COC)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925692488 634325371 /nfs/dbraw/zinc/32/53/71/634325371.db2.gz QJIBRYXSEBVRDT-GHMZBOCLSA-N 1 3 244.379 1.143 20 0 BDADHO C[C@@H](NCC1(C)CC[NH2+]CC1)c1ncc[nH]1 ZINC000925697321 634361182 /nfs/dbraw/zinc/36/11/82/634361182.db2.gz DLOQYPZZOAMUJJ-SNVBAGLBSA-N 1 3 222.336 1.450 20 0 BDADHO Cn1cncc1CCCN1CCC[C@@H](C[NH3+])C1 ZINC000314834884 635238713 /nfs/dbraw/zinc/23/87/13/635238713.db2.gz GFQQFWATTOECCY-LBPRGKRZSA-N 1 3 236.363 1.023 20 0 BDADHO CN(C)c1ccnc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925813490 635373944 /nfs/dbraw/zinc/37/39/44/635373944.db2.gz UIMMVJVNXVIIIO-RISCZKNCSA-N 1 3 248.374 1.365 20 0 BDADHO Cc1cccc(CC[NH2+]C2CCNCC2)c1 ZINC000051669479 636656738 /nfs/dbraw/zinc/65/67/38/636656738.db2.gz DIGSOSPXWVWAIT-UHFFFAOYSA-N 1 3 218.344 1.879 20 0 BDADHO Cc1cn(C)nc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000903789631 637383597 /nfs/dbraw/zinc/38/35/97/637383597.db2.gz YPZGYMZHAKKUSN-CMPLNLGQSA-N 1 3 236.363 1.145 20 0 BDADHO [NH3+]C1CC(NC[C@@H]2CCOc3ccccc32)C1 ZINC000906509537 638182590 /nfs/dbraw/zinc/18/25/90/638182590.db2.gz IJAFGVFGTNGXOZ-UNXYVOJBSA-N 1 3 232.327 1.632 20 0 BDADHO NC1CC([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000906509537 638182594 /nfs/dbraw/zinc/18/25/94/638182594.db2.gz IJAFGVFGTNGXOZ-UNXYVOJBSA-N 1 3 232.327 1.632 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000906519267 638187276 /nfs/dbraw/zinc/18/72/76/638187276.db2.gz XAJHKRZADNWKBB-HDJSIYSDSA-N 1 3 246.354 1.633 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCCc2ccc3c(c2)CCO3)C1 ZINC000906519267 638187280 /nfs/dbraw/zinc/18/72/80/638187280.db2.gz XAJHKRZADNWKBB-HDJSIYSDSA-N 1 3 246.354 1.633 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000911649884 639707939 /nfs/dbraw/zinc/70/79/39/639707939.db2.gz WWIILZKQJXFZNR-GXFFZTMASA-N 1 3 249.358 1.847 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@H](N(C)C)[C@H]1C ZINC000931038485 640034023 /nfs/dbraw/zinc/03/40/23/640034023.db2.gz RPAJRLHOEDIIQD-YPMHNXCESA-N 1 3 236.363 1.216 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@H](N(C)C)[C@H]1C ZINC000931038485 640034028 /nfs/dbraw/zinc/03/40/28/640034028.db2.gz RPAJRLHOEDIIQD-YPMHNXCESA-N 1 3 236.363 1.216 20 0 BDADHO C[NH+](C)[C@@H]1[C@H]2CN(CC[C@H]3CCCO3)C[C@H]21 ZINC000931279163 640133651 /nfs/dbraw/zinc/13/36/51/640133651.db2.gz ZYAVVUNFYQXDHL-NDBYEHHHSA-N 1 3 224.348 1.047 20 0 BDADHO CC(C)=CCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280738 640133768 /nfs/dbraw/zinc/13/37/68/640133768.db2.gz ISNHZDYNNKVKOY-ITGUQSILSA-N 1 3 208.349 1.835 20 0 BDADHO CN(C)C1(C)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000931354682 640166945 /nfs/dbraw/zinc/16/69/45/640166945.db2.gz LUPHVZKMMQNULJ-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000931440364 640207282 /nfs/dbraw/zinc/20/72/82/640207282.db2.gz WYWBCHGYRITSFK-NEPJUHHUSA-N 1 3 226.440 1.747 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[Si](C)(C)C)C[C@@H]2C1 ZINC000931440364 640207287 /nfs/dbraw/zinc/20/72/87/640207287.db2.gz WYWBCHGYRITSFK-NEPJUHHUSA-N 1 3 226.440 1.747 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000924853530 640289908 /nfs/dbraw/zinc/28/99/08/640289908.db2.gz PABQWKWYKZWQGG-QWRGUYRKSA-N 1 3 237.347 1.778 20 0 BDADHO CN(C[C@@H](O)CC1CCCC1)CC(C)(C)C[NH3+] ZINC000232148696 641249531 /nfs/dbraw/zinc/24/95/31/641249531.db2.gz NYLCBQNRWWIKQQ-ZDUSSCGKSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H](CN(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000130067834 641332381 /nfs/dbraw/zinc/33/23/81/641332381.db2.gz VAEVIKBARYCQOI-WODVXLOZSA-N 1 3 225.380 1.151 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@H]1CCOC1 ZINC000158482682 641637729 /nfs/dbraw/zinc/63/77/29/641637729.db2.gz LVBNIXRGCOLEEF-QNWHQSFQSA-N 1 3 226.364 1.519 20 0 BDADHO c1csc(CCN2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000031994609 641705780 /nfs/dbraw/zinc/70/57/80/641705780.db2.gz FBKGKNRSFXXFJM-CYBMUJFWSA-N 1 3 236.384 1.976 20 0 BDADHO CC1(C[NH2+][C@H]2CCC[C@H]2CN)CCOCC1 ZINC000233029979 642646893 /nfs/dbraw/zinc/64/68/93/642646893.db2.gz LTGBCOGHUGUHTB-RYUDHWBXSA-N 1 3 226.364 1.520 20 0 BDADHO CCO[C@H]1C[C@@H](NCC(C)(C)[NH3+])C1(C)C ZINC000233777316 642695057 /nfs/dbraw/zinc/69/50/57/642695057.db2.gz IPQFVCPWIVBNNA-ZJUUUORDSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@]1(C[NH2+]CC2CCOCC2)CCCNC1 ZINC000414912579 643084799 /nfs/dbraw/zinc/08/47/99/643084799.db2.gz VGJAULFRBFTIFL-CYBMUJFWSA-N 1 3 226.364 1.392 20 0 BDADHO C[C@@H](CN[C@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968039 643090737 /nfs/dbraw/zinc/09/07/37/643090737.db2.gz IPNRMISSQDRMIW-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCOC1)CN1CCCCC1 ZINC000070968039 643090741 /nfs/dbraw/zinc/09/07/41/643090741.db2.gz IPNRMISSQDRMIW-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](CN[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969568 643091917 /nfs/dbraw/zinc/09/19/17/643091917.db2.gz AISRYUWLZDBIMI-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCOC1)CN1CCCC1 ZINC000070969568 643091925 /nfs/dbraw/zinc/09/19/25/643091925.db2.gz AISRYUWLZDBIMI-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CN1CC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252765251 643111104 /nfs/dbraw/zinc/11/11/04/643111104.db2.gz FSGVHGZVTFPSMO-GDLCADMTSA-N 1 3 231.343 1.425 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000253100452 643164847 /nfs/dbraw/zinc/16/48/47/643164847.db2.gz QCFIWQOXKNHPGH-XDQVBPFNSA-N 1 3 246.354 1.880 20 0 BDADHO C[C@H]1CCN(CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253207290 643185329 /nfs/dbraw/zinc/18/53/29/643185329.db2.gz HCKZWULLMOEZIX-UONOGXRCSA-N 1 3 248.370 1.982 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)C(C)(C)C1 ZINC000082485463 643320547 /nfs/dbraw/zinc/32/05/47/643320547.db2.gz XVIXYQYWJITSHT-LBPRGKRZSA-N 1 3 227.396 1.386 20 0 BDADHO C[C@@H](CN[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968030 643399002 /nfs/dbraw/zinc/39/90/02/643399002.db2.gz IPNRMISSQDRMIW-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCOC1)CN1CCCCC1 ZINC000070968030 643399005 /nfs/dbraw/zinc/39/90/05/643399005.db2.gz IPNRMISSQDRMIW-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO NC[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525975 643584992 /nfs/dbraw/zinc/58/49/92/643584992.db2.gz UFCQMJACQQTLNM-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083525975 643584998 /nfs/dbraw/zinc/58/49/98/643584998.db2.gz UFCQMJACQQTLNM-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000083525975 643585003 /nfs/dbraw/zinc/58/50/03/643585003.db2.gz UFCQMJACQQTLNM-RYUDHWBXSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCC(F)(F)F ZINC000084221760 643651460 /nfs/dbraw/zinc/65/14/60/643651460.db2.gz OHOBDVDHXPMXTQ-YUMQZZPRSA-N 1 3 210.243 1.656 20 0 BDADHO COC[C@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000081079747 644306515 /nfs/dbraw/zinc/30/65/15/644306515.db2.gz AJQQHKHJSNMZKC-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000081079747 644306525 /nfs/dbraw/zinc/30/65/25/644306525.db2.gz AJQQHKHJSNMZKC-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO Cc1ccc([C@@H](O)CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000923281731 644314156 /nfs/dbraw/zinc/31/41/56/644314156.db2.gz ROZCHHSNIZDBPV-ZFWWWQNUSA-N 1 3 248.370 1.699 20 0 BDADHO CCCCCC[C@@H](O)CN1CC[C@H](C[NH2+]C)C1 ZINC000923288753 644322951 /nfs/dbraw/zinc/32/29/51/644322951.db2.gz CEFJUKNVQGSCEX-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CCOCCOCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923290531 644325156 /nfs/dbraw/zinc/32/51/56/644325156.db2.gz YNUBTKUYJKVDIE-QWHCGFSZSA-N 1 3 244.379 1.099 20 0 BDADHO C[C@@](C[NH3+])(NC[C@H](O)Cc1ccccc1)C1CC1 ZINC000923297155 644336036 /nfs/dbraw/zinc/33/60/36/644336036.db2.gz ZGOGAMCYFKDFDV-CABCVRRESA-N 1 3 248.370 1.307 20 0 BDADHO CC(C)CC[C@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000923335176 644356672 /nfs/dbraw/zinc/35/66/72/644356672.db2.gz LXGFTRMHODGCBD-KBPBESRZSA-N 1 3 242.407 1.857 20 0 BDADHO CCc1ncc(CN2CCC[C@@H](CC[NH3+])C2)o1 ZINC000923348433 644359576 /nfs/dbraw/zinc/35/95/76/644359576.db2.gz GYKDGBPRSALHHW-NSHDSACASA-N 1 3 237.347 1.798 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923356897 644375830 /nfs/dbraw/zinc/37/58/30/644375830.db2.gz VOMRJNMLPGYGBM-UONOGXRCSA-N 1 3 242.407 1.988 20 0 BDADHO CCCCCC[C@H](O)C[N@H+]1C[C@H](N)[C@@H](C)C1 ZINC000923366200 644379067 /nfs/dbraw/zinc/37/90/67/644379067.db2.gz KXQXNEFRXHFIFV-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@H](O)C[N@@H+]1C[C@H](N)[C@@H](C)C1 ZINC000923366200 644379072 /nfs/dbraw/zinc/37/90/72/644379072.db2.gz KXQXNEFRXHFIFV-AVGNSLFASA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)CC[C@@H](O)CN(C)C1CC([NH3+])C1 ZINC000923362661 644386059 /nfs/dbraw/zinc/38/60/59/644386059.db2.gz MFABOAFJFZPFPJ-HTAVTVPLSA-N 1 3 214.353 1.205 20 0 BDADHO Cc1ccc([C@H](O)CN2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923413193 644416064 /nfs/dbraw/zinc/41/60/64/644416064.db2.gz UPKBSCVMWONHMW-VHDGCEQUSA-N 1 3 248.370 1.555 20 0 BDADHO C(CC1CCCC1)C[NH+]1CCNCCNCC1 ZINC000923462520 644446976 /nfs/dbraw/zinc/44/69/76/644446976.db2.gz JPDMLWUEYOEIBR-UHFFFAOYSA-N 1 3 239.407 1.452 20 0 BDADHO Cc1nccnc1CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923491028 644466190 /nfs/dbraw/zinc/46/61/90/644466190.db2.gz QBAUHZNULNOFKG-JQWIXIFHSA-N 1 3 234.347 1.202 20 0 BDADHO C[C@H]1CN(Cc2ccns2)CC[C@H]1C[NH3+] ZINC000923492134 644468566 /nfs/dbraw/zinc/46/85/66/644468566.db2.gz WGEQKMQAHYPIBV-UWVGGRQHSA-N 1 3 225.361 1.560 20 0 BDADHO C[C@H]1CN(Cc2ccno2)CC[C@@H]1C[NH3+] ZINC000923501128 644475068 /nfs/dbraw/zinc/47/50/68/644475068.db2.gz ZDQSVUILPYRTMD-VHSXEESVSA-N 1 3 209.293 1.091 20 0 BDADHO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(N)n1 ZINC000090795331 644605682 /nfs/dbraw/zinc/60/56/82/644605682.db2.gz YMNBTYAMECPSPR-ZJUUUORDSA-N 1 3 235.335 1.262 20 0 BDADHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(N)n1 ZINC000090795331 644605686 /nfs/dbraw/zinc/60/56/86/644605686.db2.gz YMNBTYAMECPSPR-ZJUUUORDSA-N 1 3 235.335 1.262 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000251926904 644830760 /nfs/dbraw/zinc/83/07/60/644830760.db2.gz QUOUDLOVKUPYAM-SRVKXCTJSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000251926904 644830761 /nfs/dbraw/zinc/83/07/61/644830761.db2.gz QUOUDLOVKUPYAM-SRVKXCTJSA-N 1 3 241.379 1.008 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N)n1 ZINC000252672818 644875337 /nfs/dbraw/zinc/87/53/37/644875337.db2.gz CZBHGXOQQSNSSI-MNOVXSKESA-N 1 3 247.346 1.406 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(N)n1 ZINC000252672818 644875344 /nfs/dbraw/zinc/87/53/44/644875344.db2.gz CZBHGXOQQSNSSI-MNOVXSKESA-N 1 3 247.346 1.406 20 0 BDADHO CC[C@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000252685266 644878896 /nfs/dbraw/zinc/87/88/96/644878896.db2.gz HUPBZFSDFNDFLZ-QWRGUYRKSA-N 1 3 202.342 1.063 20 0 BDADHO CC(C)([NH3+])CCNC1Cc2ccccc2C1 ZINC000304679871 644925787 /nfs/dbraw/zinc/92/57/87/644925787.db2.gz YKTDFVMWJJXLDB-UHFFFAOYSA-N 1 3 218.344 1.871 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000253112774 644936629 /nfs/dbraw/zinc/93/66/29/644936629.db2.gz YLOIYLKVEODUIB-WHOHXGKFSA-N 1 3 226.364 1.253 20 0 BDADHO Cc1cc(CNCCCCCC[NH3+])nn1C ZINC000843128787 645265738 /nfs/dbraw/zinc/26/57/38/645265738.db2.gz LULNHRAAVJZKJZ-UHFFFAOYSA-N 1 3 224.352 1.337 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C(C)(C)CO ZINC000926751991 645403551 /nfs/dbraw/zinc/40/35/51/645403551.db2.gz BWDAUVRIPRBPCH-STQMWFEESA-N 1 3 242.407 1.715 20 0 BDADHO CCN(CC)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924529600 646051167 /nfs/dbraw/zinc/05/11/67/646051167.db2.gz VYQUIHFZKGTUAR-CHWSQXEVSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H](NCCC[NH+](C)C)c1cc[nH]c(=O)c1 ZINC000924539434 646060287 /nfs/dbraw/zinc/06/02/87/646060287.db2.gz KDBLRWSTCFPJSP-JTQLQIEISA-N 1 3 223.320 1.390 20 0 BDADHO COc1cc([C@@H](C)NCCCC[NH+](C)C)on1 ZINC000924855444 646119350 /nfs/dbraw/zinc/11/93/50/646119350.db2.gz PXJIBCFOIQNUSO-SNVBAGLBSA-N 1 3 241.335 1.676 20 0 BDADHO CC[C@@H](CO)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000929717938 646271608 /nfs/dbraw/zinc/27/16/08/646271608.db2.gz BCZANSIRNVVVQJ-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@H](O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925481691 646293958 /nfs/dbraw/zinc/29/39/58/646293958.db2.gz JEXAOZVHSFTWLV-RNJOBUHISA-N 1 3 240.391 1.514 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925481691 646293965 /nfs/dbraw/zinc/29/39/65/646293965.db2.gz JEXAOZVHSFTWLV-RNJOBUHISA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@H](CO)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929764169 646294882 /nfs/dbraw/zinc/29/48/82/646294882.db2.gz QMQNRHHKAKJDDS-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@H](CO)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000929764169 646294888 /nfs/dbraw/zinc/29/48/88/646294888.db2.gz QMQNRHHKAKJDDS-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925524180 646314647 /nfs/dbraw/zinc/31/46/47/646314647.db2.gz YDGPWSMVFZUXAK-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2(C)C)CN1C1CC1 ZINC000925542192 646324569 /nfs/dbraw/zinc/32/45/69/646324569.db2.gz NZMZVCXGVNYZIW-NTZNESFSSA-N 1 3 237.391 1.342 20 0 BDADHO Cc1noc(C)c1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556937 646333797 /nfs/dbraw/zinc/33/37/97/646333797.db2.gz NACBIUVQRWNJHH-STQMWFEESA-N 1 3 249.358 1.693 20 0 BDADHO OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC12CCC2 ZINC000925644542 646385236 /nfs/dbraw/zinc/38/52/36/646385236.db2.gz NELWLBQSPXEDCP-RWMBFGLXSA-N 1 3 238.375 1.412 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000925641442 646385529 /nfs/dbraw/zinc/38/55/29/646385529.db2.gz YCQMYOUUCDOYKT-AHLTXXRQSA-N 1 3 238.375 1.674 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCOC2CC2)[C@H](C)C1 ZINC000929998101 646390677 /nfs/dbraw/zinc/39/06/77/646390677.db2.gz BRKIODGYLBLTSR-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCOC2CC2)[C@H](C)C1 ZINC000929998101 646390682 /nfs/dbraw/zinc/39/06/82/646390682.db2.gz BRKIODGYLBLTSR-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@@H](CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)OC ZINC000925675530 646404867 /nfs/dbraw/zinc/40/48/67/646404867.db2.gz JAPJKLGZXNKPHJ-RNJOBUHISA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000925686980 646411004 /nfs/dbraw/zinc/41/10/04/646411004.db2.gz CZYHGRIWPOWXIY-MROQNXINSA-N 1 3 226.364 1.268 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)[C@@H](O)C(C)C ZINC000925691525 646415905 /nfs/dbraw/zinc/41/59/05/646415905.db2.gz OGTKCHRUSRYMLS-LOWDOPEQSA-N 1 3 240.391 1.641 20 0 BDADHO CCCN1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000925708346 646432593 /nfs/dbraw/zinc/43/25/93/646432593.db2.gz SJJITEYDXLQMAY-STQMWFEESA-N 1 3 237.391 1.345 20 0 BDADHO CC1(C)C[C@H]([NH3+])C[C@@H](NC/C=C\CO)C1 ZINC000925710354 646434871 /nfs/dbraw/zinc/43/48/71/646434871.db2.gz WTQMKBNMIKBNEC-ANDSXOESSA-N 1 3 212.337 1.031 20 0 BDADHO C[C@@H](NCCN1CCC([NH3+])CC1)c1ccco1 ZINC000925808951 646490460 /nfs/dbraw/zinc/49/04/60/646490460.db2.gz FIWFNTXXTMNNFC-LLVKDONJSA-N 1 3 237.347 1.353 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000925830116 646499086 /nfs/dbraw/zinc/49/90/86/646499086.db2.gz FNRSTHFDJRQOGN-XJFOESAGSA-N 1 3 238.375 1.663 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000925859787 646513516 /nfs/dbraw/zinc/51/35/16/646513516.db2.gz SBUXKTXAFIJBND-FRRDWIJNSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@H](NC1([C@@H]2CCCCO2)CC1)[C@H]1CC[NH2+]C1 ZINC000925893201 646535318 /nfs/dbraw/zinc/53/53/18/646535318.db2.gz MZABUVHNUMVDDI-AVGNSLFASA-N 1 3 238.375 1.676 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCSC1 ZINC000926323559 646615713 /nfs/dbraw/zinc/61/57/13/646615713.db2.gz JOUVYWDZSKWCSP-ACJTYDJDSA-N 1 3 240.416 1.669 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@]12C[C@H]1CCC2 ZINC000925879801 711761976 /nfs/dbraw/zinc/76/19/76/711761976.db2.gz CKWCUEQGZDHIJC-LPWJVIDDSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000227736948 711832753 /nfs/dbraw/zinc/83/27/53/711832753.db2.gz HUPBZFSDFNDFLZ-WDEREUQCSA-N 1 3 202.342 1.063 20 0 BDADHO CN1CC[C@@H]([NH2+]CC2OCCCO2)CC1(C)C ZINC000922281674 711966177 /nfs/dbraw/zinc/96/61/77/711966177.db2.gz XPDMBRZLKVLZQK-LLVKDONJSA-N 1 3 242.363 1.212 20 0 BDADHO C[C@@H](CF)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000702601576 712056142 /nfs/dbraw/zinc/05/61/42/712056142.db2.gz BXMNMIAOJYUXFM-OFLUOSHYSA-N 1 3 200.301 1.559 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CC(C)(C)CO2)C1 ZINC000708321759 712186375 /nfs/dbraw/zinc/18/63/75/712186375.db2.gz ACGBIZUZPUCNGT-YNEHKIRRSA-N 1 3 240.391 1.861 20 0 BDADHO COC1(OC)CC[C@@H]1[NH2+]CC(C)(C)CN(C)C ZINC000710985685 712271827 /nfs/dbraw/zinc/27/18/27/712271827.db2.gz CHCFYKRRFXOXIP-NSHDSACASA-N 1 3 244.379 1.315 20 0 BDADHO C=C/C=C/CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000713730608 712470601 /nfs/dbraw/zinc/47/06/01/712470601.db2.gz DBGIYVSFHUWHAJ-ITDFMYJTSA-N 1 3 206.333 1.804 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000714700786 712495585 /nfs/dbraw/zinc/49/55/85/712495585.db2.gz PXRYQQCFCFMZGX-CYDGBPFRSA-N 1 3 226.364 1.519 20 0 BDADHO CN(C[C@H]1CC[C@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511585 712524581 /nfs/dbraw/zinc/52/45/81/712524581.db2.gz SLRJWRRBVSBLLX-CHWSQXEVSA-N 1 3 240.391 1.861 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H](CCO)C1CC1 ZINC000381431301 710636164 /nfs/dbraw/zinc/63/61/64/710636164.db2.gz BPEDKULMRUURPF-CHWSQXEVSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000396577472 710907338 /nfs/dbraw/zinc/90/73/38/710907338.db2.gz CZYHGRIWPOWXIY-RNJOBUHISA-N 1 3 226.364 1.268 20 0 BDADHO OCCCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000390765901 711133915 /nfs/dbraw/zinc/13/39/15/711133915.db2.gz QNHKCMDPLYGKOR-STQMWFEESA-N 1 3 226.364 1.080 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1ncc(Cl)n1C ZINC000393271125 711156256 /nfs/dbraw/zinc/15/62/56/711156256.db2.gz AEYONXSLYZRFIA-SECBINFHSA-N 1 3 244.770 1.681 20 0 BDADHO CC(C)OCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396612694 711360830 /nfs/dbraw/zinc/36/08/30/711360830.db2.gz FJBHWBQWPYKYOA-VXGBXAGGSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCOCC1CC1 ZINC000396618002 711361456 /nfs/dbraw/zinc/36/14/56/711361456.db2.gz UCGHHBLZSUVKAZ-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396594432 711359800 /nfs/dbraw/zinc/35/98/00/711359800.db2.gz DSGDQLDOXJCSGB-QJPTWQEYSA-N 1 3 228.380 1.514 20 0 BDADHO CN(C[C@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394330026 711190175 /nfs/dbraw/zinc/19/01/75/711190175.db2.gz OHRQYFYZINBXBU-PIGZVRMJSA-N 1 3 238.375 1.314 20 0 BDADHO CN(C[C@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394330026 711190176 /nfs/dbraw/zinc/19/01/76/711190176.db2.gz OHRQYFYZINBXBU-PIGZVRMJSA-N 1 3 238.375 1.314 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCC(C)(C)CO ZINC000396699226 711365009 /nfs/dbraw/zinc/36/50/09/711365009.db2.gz KNZPIGFDCLPZOV-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCC(C)(C)CCO ZINC000396698883 711366610 /nfs/dbraw/zinc/36/66/10/711366610.db2.gz MRPYEBXFHMTUOQ-MNOVXSKESA-N 1 3 214.353 1.125 20 0 BDADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCC1 ZINC000382193040 711473939 /nfs/dbraw/zinc/47/39/39/711473939.db2.gz HYOWHSJXEMDYND-NWBUJAPZSA-N 1 3 206.333 1.373 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CSC2)C1 ZINC000307428579 711480085 /nfs/dbraw/zinc/48/00/85/711480085.db2.gz UEIPVOVGYVZGAT-KOLCDFICSA-N 1 3 214.378 1.564 20 0 BDADHO CCC(CC)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000382202533 711553412 /nfs/dbraw/zinc/55/34/12/711553412.db2.gz JOZPEPFKWIJJNK-XZPDDHLCSA-N 1 3 208.349 1.761 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)C1CNC1)[C@H]1CCCOC1 ZINC000724013340 711555958 /nfs/dbraw/zinc/55/59/58/711555958.db2.gz QETODOALOSGDEU-GVXVVHGQSA-N 1 3 226.364 1.389 20 0 BDADHO CC1(C)[C@@H](NC[C@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925502996 711692795 /nfs/dbraw/zinc/69/27/95/711692795.db2.gz MJKVLGJZSSXZSG-NDBYEHHHSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ncc[nH]1 ZINC000925711820 711711159 /nfs/dbraw/zinc/71/11/59/711711159.db2.gz SHXQHORKBVTBDF-QWRGUYRKSA-N 1 3 222.336 1.593 20 0 BDADHO NC[C@@H]1C[N@H+](CCc2cccs2)CCCO1 ZINC000313374215 711721045 /nfs/dbraw/zinc/72/10/45/711721045.db2.gz KJUSTCDIJVGYTR-LLVKDONJSA-N 1 3 240.372 1.340 20 0 BDADHO NC[C@@H]1C[N@@H+](CCc2cccs2)CCCO1 ZINC000313374215 711721046 /nfs/dbraw/zinc/72/10/46/711721046.db2.gz KJUSTCDIJVGYTR-LLVKDONJSA-N 1 3 240.372 1.340 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H]([C@H](C)N)C1)C(C)C ZINC000721910915 711917598 /nfs/dbraw/zinc/91/75/98/711917598.db2.gz GPFONMATMDQTCT-AVGNSLFASA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H]([C@H](C)N)C1)C(C)C ZINC000721910915 711917600 /nfs/dbraw/zinc/91/76/00/711917600.db2.gz GPFONMATMDQTCT-AVGNSLFASA-N 1 3 228.380 1.574 20 0 BDADHO CO[C@H](C)[C@H](C)NCC[C@@H](C)[NH+](C)C ZINC000700488293 711994651 /nfs/dbraw/zinc/99/46/51/711994651.db2.gz CZHAYYLNLSLOCO-OUAUKWLOSA-N 1 3 202.342 1.340 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405958 711992203 /nfs/dbraw/zinc/99/22/03/711992203.db2.gz UOCVIOKPQWZAEK-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](CCN[C@H]1C[C@@H](C)O[C@@H]1C)[NH+](C)C ZINC000700468961 711993724 /nfs/dbraw/zinc/99/37/24/711993724.db2.gz IUQJKAFLXGQRMC-KKOKHZNYSA-N 1 3 214.353 1.482 20 0 BDADHO CC(C)(O)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000703619769 712081542 /nfs/dbraw/zinc/08/15/42/712081542.db2.gz UYSADFLVBHBFKV-GRYCIOLGSA-N 1 3 240.391 1.514 20 0 BDADHO CC(C)(O)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703619769 712081544 /nfs/dbraw/zinc/08/15/44/712081544.db2.gz UYSADFLVBHBFKV-GRYCIOLGSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000711110256 712281370 /nfs/dbraw/zinc/28/13/70/712281370.db2.gz PCDKUMJLPNSCCS-YIYPIFLZSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000711110256 712281372 /nfs/dbraw/zinc/28/13/72/712281372.db2.gz PCDKUMJLPNSCCS-YIYPIFLZSA-N 1 3 238.375 1.628 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438261 712429694 /nfs/dbraw/zinc/42/96/94/712429694.db2.gz NURBPEZGRWNXPL-CHWSQXEVSA-N 1 3 238.375 1.759 20 0 BDADHO CC1(C)CCC[C@@H](CN2CC[C@H](C[NH3+])C2)O1 ZINC000714375664 712484409 /nfs/dbraw/zinc/48/44/09/712484409.db2.gz VWSGQDFUIHRVGP-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@](C[NH3+])(NC[C@H]1CC(C)(C)CO1)C1CC1 ZINC000717650949 712663050 /nfs/dbraw/zinc/66/30/50/712663050.db2.gz MFYXHVDDVARRRN-DGCLKSJQSA-N 1 3 226.364 1.519 20 0 BDADHO O[C@H](CNCCc1ccccc1)C[NH+]1CCCC1 ZINC000037859674 712776171 /nfs/dbraw/zinc/77/61/71/712776171.db2.gz FRHWZMQAVXJYFC-OAHLLOKOSA-N 1 3 248.370 1.275 20 0 BDADHO [NH3+]C[C@H]1CN(CC2CCC2)C[C@@H]1C(F)(F)F ZINC000720874697 712872756 /nfs/dbraw/zinc/87/27/56/712872756.db2.gz ZDAWAWPBVWRCHG-UWVGGRQHSA-N 1 3 236.281 1.856 20 0 BDADHO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000709392911 960553388 /nfs/dbraw/zinc/55/33/88/960553388.db2.gz SOMAPVXKCPNYPE-HNGCFSAESA-N 1 3 224.348 1.284 20 0 BDADHO CCC[NH2+]C[C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001268010508 960729522 /nfs/dbraw/zinc/72/95/22/960729522.db2.gz ORGKEJAOSICAGP-RYUDHWBXSA-N 1 3 243.395 1.079 20 0 BDADHO COCC[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000697869955 964594451 /nfs/dbraw/zinc/59/44/51/964594451.db2.gz KNOSDDLXFRFYTQ-GHMZBOCLSA-N 1 3 202.342 1.341 20 0 BDADHO CCC1(Nc2nccc(N)c2C)C[NH2+]C1 ZINC001168580711 966910635 /nfs/dbraw/zinc/91/06/35/966910635.db2.gz NEYRXQDCYHWTIA-UHFFFAOYSA-N 1 3 206.293 1.136 20 0 BDADHO C[C@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204599421 967097170 /nfs/dbraw/zinc/09/71/70/967097170.db2.gz YYNFQSOYSRSFII-QWRGUYRKSA-N 1 3 212.337 1.443 20 0 BDADHO C[C@@H]1CCN(Cc2cnsc2)CC[C@@H]1C[NH3+] ZINC001205638415 967737083 /nfs/dbraw/zinc/73/70/83/967737083.db2.gz NTLDISVTCZPNNA-ZYHUDNBSSA-N 1 3 239.388 1.950 20 0 BDADHO C[C@@H](C[NH+](C)C)Nc1ccc(CN(C)C)cn1 ZINC001163771825 968114751 /nfs/dbraw/zinc/11/47/51/968114751.db2.gz GLEFCHULBOZKBA-NSHDSACASA-N 1 3 236.363 1.505 20 0 BDADHO C[C@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@H]1O ZINC001207276298 968709732 /nfs/dbraw/zinc/70/97/32/968709732.db2.gz VCHNPHOWKPYTID-NWDGAFQWSA-N 1 3 228.380 1.277 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CC[C@@](C)(O)C1 ZINC001207279328 968711535 /nfs/dbraw/zinc/71/15/35/968711535.db2.gz KPLVWTPLDFOXGG-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO C[NH+]1CCC(C)(CN2CC[C@@H](F)C2)CC1 ZINC001208107067 969001591 /nfs/dbraw/zinc/00/15/91/969001591.db2.gz NANWUQAJTAOVJM-LLVKDONJSA-N 1 3 214.328 1.762 20 0 BDADHO CCCCC[C@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001253537597 969211668 /nfs/dbraw/zinc/21/16/68/969211668.db2.gz ZUDKURYGLQCOTH-MJBXVCDLSA-N 1 3 240.391 1.421 20 0 BDADHO CCCCC[C@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001253537597 969211677 /nfs/dbraw/zinc/21/16/77/969211677.db2.gz ZUDKURYGLQCOTH-MJBXVCDLSA-N 1 3 240.391 1.421 20 0 BDADHO CCCC[N@H+](C)CCCNC[C@H](O)C(C)C ZINC001253778459 969398608 /nfs/dbraw/zinc/39/86/08/969398608.db2.gz PMDQTKBBWQOPLP-ZDUSSCGKSA-N 1 3 230.396 1.715 20 0 BDADHO CCCC[N@@H+](C)CCCNC[C@H](O)C(C)C ZINC001253778459 969398615 /nfs/dbraw/zinc/39/86/15/969398615.db2.gz PMDQTKBBWQOPLP-ZDUSSCGKSA-N 1 3 230.396 1.715 20 0 BDADHO CCCCN(C)CCC[NH2+]C[C@H](O)C(C)C ZINC001253778459 969398621 /nfs/dbraw/zinc/39/86/21/969398621.db2.gz PMDQTKBBWQOPLP-ZDUSSCGKSA-N 1 3 230.396 1.715 20 0 BDADHO CCC[N@H+](CCCN(C)C)[C@@H]1CCCN(C)C1 ZINC001255494588 970259321 /nfs/dbraw/zinc/25/93/21/970259321.db2.gz IZHYHFDBGKKZHL-CQSZACIVSA-N 1 3 241.423 1.744 20 0 BDADHO CCC[N@@H+](CCCN(C)C)[C@@H]1CCCN(C)C1 ZINC001255494588 970259325 /nfs/dbraw/zinc/25/93/25/970259325.db2.gz IZHYHFDBGKKZHL-CQSZACIVSA-N 1 3 241.423 1.744 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC001255949854 970580701 /nfs/dbraw/zinc/58/07/01/970580701.db2.gz BUDOJMOQWUPZDG-YNEHKIRRSA-N 1 3 242.407 1.856 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCC1OCCO1 ZINC001255947552 970583221 /nfs/dbraw/zinc/58/32/21/970583221.db2.gz SFBNVNACFWDURZ-GFCCVEGCSA-N 1 3 244.379 1.459 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1C[C@H](O)C1(C)C ZINC001255949852 970583301 /nfs/dbraw/zinc/58/33/01/970583301.db2.gz BUDOJMOQWUPZDG-XQQFMLRXSA-N 1 3 242.407 1.856 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCCN1CCC1 ZINC001255951571 970587852 /nfs/dbraw/zinc/58/78/52/970587852.db2.gz QLYZGWSKJPSTHA-ZDUSSCGKSA-N 1 3 227.396 1.402 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CCN(C)[C@H](C)C1 ZINC001255964096 970603496 /nfs/dbraw/zinc/60/34/96/970603496.db2.gz OLDWTVVYIYFXGP-UONOGXRCSA-N 1 3 241.423 1.743 20 0 BDADHO C[C@H](N)c1ccn(C2CC[NH+](C)CC2)n1 ZINC001256196326 970692403 /nfs/dbraw/zinc/69/24/03/970692403.db2.gz JAHOKENXUFLZAO-VIFPVBQESA-N 1 3 208.309 1.170 20 0 BDADHO CC[N@@H+]1CC[C@H](N2CCN(CC(C)C)CC2)C1 ZINC001173364352 975335598 /nfs/dbraw/zinc/33/55/98/975335598.db2.gz QUHYEEYNZCMWQC-AWEZNQCLSA-N 1 3 239.407 1.354 20 0 BDADHO CC[N@H+]1CC[C@H](N2CCN(CC(C)C)CC2)C1 ZINC001173364352 975335607 /nfs/dbraw/zinc/33/56/07/975335607.db2.gz QUHYEEYNZCMWQC-AWEZNQCLSA-N 1 3 239.407 1.354 20 0 BDADHO COC(=O)CCCC[C@H](C)[NH2+]C1CC(N)C1 ZINC001173441910 975376713 /nfs/dbraw/zinc/37/67/13/975376713.db2.gz XVGSFUXSSDJONR-WHXUTIOJSA-N 1 3 228.336 1.188 20 0 BDADHO C[C@H](O)[C@H](C)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001336050911 977458619 /nfs/dbraw/zinc/45/86/19/977458619.db2.gz JVFKTBTWERHXDG-BJDJZHNGSA-N 1 3 226.364 1.218 20 0 BDADHO [NH3+]C1(CN[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001337804654 978503824 /nfs/dbraw/zinc/50/38/24/978503824.db2.gz DUMCAFIEBWQIAM-LBPRGKRZSA-N 1 3 236.746 1.888 20 0 BDADHO CC(C)N(CC[NH3+])C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235948628 979218604 /nfs/dbraw/zinc/21/86/04/979218604.db2.gz RHVBHVJPXXYIST-WDEREUQCSA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@H+](CCN)C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235948628 979218611 /nfs/dbraw/zinc/21/86/11/979218611.db2.gz RHVBHVJPXXYIST-WDEREUQCSA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@@H+](CCN)C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235948628 979218621 /nfs/dbraw/zinc/21/86/21/979218621.db2.gz RHVBHVJPXXYIST-WDEREUQCSA-N 1 3 249.349 1.146 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001354424493 983305647 /nfs/dbraw/zinc/30/56/47/983305647.db2.gz QKHZUYRNMQNLTK-QCNOEVLYSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)[C@@H]1CCC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925488977 983784611 /nfs/dbraw/zinc/78/46/11/983784611.db2.gz HSHJHIOXIWTEGT-MCIONIFRSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](N)CC2)C[C@H](C)O1 ZINC001246546476 972644869 /nfs/dbraw/zinc/64/48/69/972644869.db2.gz NAMDGSLLRGTCSN-RNJOBUHISA-N 1 3 226.364 1.756 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](N)CC2)C[C@H](C)O1 ZINC001246546476 972644882 /nfs/dbraw/zinc/64/48/82/972644882.db2.gz NAMDGSLLRGTCSN-RNJOBUHISA-N 1 3 226.364 1.756 20 0 BDADHO COC(=O)CC[C@H](C)N1CCC[C@@](C)([NH3+])CC1 ZINC001246548328 972680790 /nfs/dbraw/zinc/68/07/90/972680790.db2.gz FXUDATRRRYWLJT-WCQYABFASA-N 1 3 242.363 1.531 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001246588516 972988864 /nfs/dbraw/zinc/98/88/64/972988864.db2.gz QJLNWZGGLYYZQX-YNEHKIRRSA-N 1 3 243.370 1.232 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001246588516 972988884 /nfs/dbraw/zinc/98/88/84/972988884.db2.gz QJLNWZGGLYYZQX-YNEHKIRRSA-N 1 3 243.370 1.232 20 0 BDADHO CC(C)(C)[NH+]1CCC(NC2CC(O)C2)CC1 ZINC001256555273 970858618 /nfs/dbraw/zinc/85/86/18/970858618.db2.gz TUJGASAXFLVQQY-UHFFFAOYSA-N 1 3 226.364 1.362 20 0 BDADHO CC(C)(C)[NH+]1CCC(n2nncc2CN)CC1 ZINC001256562499 970861479 /nfs/dbraw/zinc/86/14/79/970861479.db2.gz WLOQRBQVDKTSTH-UHFFFAOYSA-N 1 3 237.351 1.172 20 0 BDADHO CC(C)CCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403245905 970897641 /nfs/dbraw/zinc/89/76/41/970897641.db2.gz RBSYLONCHVOMSD-JTQLQIEISA-N 1 3 220.307 1.948 20 0 BDADHO CCCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949995 970899337 /nfs/dbraw/zinc/89/93/37/970899337.db2.gz NNVOAFZQZBHJIJ-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO CC[N@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256688796 970920043 /nfs/dbraw/zinc/92/00/43/970920043.db2.gz KQMQDRKVPFOAFF-UHFFFAOYSA-N 1 3 226.364 1.582 20 0 BDADHO CC[N@@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256688796 970920051 /nfs/dbraw/zinc/92/00/51/970920051.db2.gz KQMQDRKVPFOAFF-UHFFFAOYSA-N 1 3 226.364 1.582 20 0 BDADHO CC(C)N(c1cc(N)ccn1)[C@@H]1CC[NH2+]C1 ZINC001158023165 971023119 /nfs/dbraw/zinc/02/31/19/971023119.db2.gz UOBFORGPENWGQA-LLVKDONJSA-N 1 3 220.320 1.241 20 0 BDADHO CC(C)[NH+]1CCC(n2ccc(CN)n2)CC1 ZINC001257204885 971123745 /nfs/dbraw/zinc/12/37/45/971123745.db2.gz SBAZWDIGXFKSLJ-UHFFFAOYSA-N 1 3 222.336 1.387 20 0 BDADHO [NH3+]CC1CCN(Cc2ccc(O)cc2F)CC1 ZINC000404104018 971127369 /nfs/dbraw/zinc/12/73/69/971127369.db2.gz GZJOZMUOSUGWPM-UHFFFAOYSA-N 1 3 238.306 1.702 20 0 BDADHO CC1(C)[C@H](NCCSC(F)(F)F)C[C@@H]1[NH3+] ZINC000404758076 971182021 /nfs/dbraw/zinc/18/20/21/971182021.db2.gz GRLRNTDNPPHWHF-NKWVEPMBSA-N 1 3 242.310 1.955 20 0 BDADHO CC1(C)[C@H]([NH2+]CCSC(F)(F)F)C[C@@H]1N ZINC000404758076 971182031 /nfs/dbraw/zinc/18/20/31/971182031.db2.gz GRLRNTDNPPHWHF-NKWVEPMBSA-N 1 3 242.310 1.955 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCc2ccncc2)C12CCC2 ZINC000405271671 971228461 /nfs/dbraw/zinc/22/84/61/971228461.db2.gz VBLDIHUDWPKWBG-OLZOCXBDSA-N 1 3 231.343 1.484 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405348640 971244224 /nfs/dbraw/zinc/24/42/24/971244224.db2.gz MNIQCELYOZZYKI-TUAOUCFPSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405348640 971244231 /nfs/dbraw/zinc/24/42/31/971244231.db2.gz MNIQCELYOZZYKI-TUAOUCFPSA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)[C@H](C)O1 ZINC000405445800 971257708 /nfs/dbraw/zinc/25/77/08/971257708.db2.gz WPJBZFWODPRMEK-YBXAARCKSA-N 1 3 224.348 1.412 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](N)C23CCC3)[C@H](C)O1 ZINC000405445800 971257719 /nfs/dbraw/zinc/25/77/19/971257719.db2.gz WPJBZFWODPRMEK-YBXAARCKSA-N 1 3 224.348 1.412 20 0 BDADHO C[NH2+][C@H]1CC[C@H](OC[C@H]2COC(C)(C)N2)CC1 ZINC001217823807 971421175 /nfs/dbraw/zinc/42/11/75/971421175.db2.gz HRIGRMFIHWORSV-SRVKXCTJSA-N 1 3 242.363 1.258 20 0 BDADHO CC1(CN[C@H]2CCC[NH2+]C2)CC(F)(F)C1 ZINC000720991352 974172943 /nfs/dbraw/zinc/17/29/43/974172943.db2.gz AFYMXQWEHPPXRD-VIFPVBQESA-N 1 3 218.291 1.763 20 0 BDADHO C[NH2+][C@H]1C[C@H](Oc2cccc3c2CNC3)C1 ZINC001217955091 971541293 /nfs/dbraw/zinc/54/12/93/971541293.db2.gz WMJOEVCHRZSBAX-XYPYZODXSA-N 1 3 218.300 1.419 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2C[C@@](C)(O)C2)CC1 ZINC001258003053 971551903 /nfs/dbraw/zinc/55/19/03/971551903.db2.gz WHDUBBNRRNHIHS-OKILXGFUSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)CN1CCC([N@H+](C)[C@H]2CCOC2)CC1 ZINC001258014498 971559362 /nfs/dbraw/zinc/55/93/62/971559362.db2.gz MBHFCGVESVHRPP-AWEZNQCLSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)CN1CCC([N@@H+](C)[C@H]2CCOC2)CC1 ZINC001258014498 971559370 /nfs/dbraw/zinc/55/93/70/971559370.db2.gz MBHFCGVESVHRPP-AWEZNQCLSA-N 1 3 240.391 1.828 20 0 BDADHO c1cc2c(c(O[C@@H]3CCC[NH2+]CC3)c1)CNC2 ZINC001217996923 971566125 /nfs/dbraw/zinc/56/61/25/971566125.db2.gz NDHWNHXNYXZRDB-GFCCVEGCSA-N 1 3 232.327 1.811 20 0 BDADHO F[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1CNC2 ZINC001218069715 971595063 /nfs/dbraw/zinc/59/50/63/971595063.db2.gz JZTDENSPONGTGD-YPMHNXCESA-N 1 3 236.290 1.369 20 0 BDADHO C[C@H]1C[C@H](Oc2cccc3c2CNC3)CC[NH2+]1 ZINC001218059454 971593776 /nfs/dbraw/zinc/59/37/76/971593776.db2.gz JLAOAPQMFRQSHQ-CMPLNLGQSA-N 1 3 232.327 1.809 20 0 BDADHO [NH3+]Cc1cccc(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)c1 ZINC001218128675 971604205 /nfs/dbraw/zinc/60/42/05/971604205.db2.gz SRIVOPOFDWADQV-BFHYXJOUSA-N 1 3 248.326 1.044 20 0 BDADHO [NH3+]Cc1cccc(O[C@H]2CC[C@@H]3NCCO[C@@H]32)c1 ZINC001218120518 971605429 /nfs/dbraw/zinc/60/54/29/971605429.db2.gz SRIVOPOFDWADQV-IHRRRGAJSA-N 1 3 248.326 1.044 20 0 BDADHO CC(C)[N@H+](CCN)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103508 974361715 /nfs/dbraw/zinc/36/17/15/974361715.db2.gz VQPPHUZBRDVNLV-WDNDVIMCSA-N 1 3 239.407 1.671 20 0 BDADHO CC(C)[N@@H+](CCN)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103508 974361726 /nfs/dbraw/zinc/36/17/26/974361726.db2.gz VQPPHUZBRDVNLV-WDNDVIMCSA-N 1 3 239.407 1.671 20 0 BDADHO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206163907 974513884 /nfs/dbraw/zinc/51/38/84/974513884.db2.gz HQHNESMKHWZCQD-VXGBXAGGSA-N 1 3 240.326 1.288 20 0 BDADHO CC(C)Oc1cc(N[C@H](N)CCC[NH3+])ccn1 ZINC001170899010 972061206 /nfs/dbraw/zinc/06/12/06/972061206.db2.gz GOWWOURTEYURGL-NSHDSACASA-N 1 3 238.335 1.304 20 0 BDADHO Cc1ccc(N(C)C)c(N[C@@H](N)CCC[NH3+])c1 ZINC001170902882 972072773 /nfs/dbraw/zinc/07/27/73/972072773.db2.gz GTDJBAWERKRVGY-CYBMUJFWSA-N 1 3 236.363 1.497 20 0 BDADHO C[C@H](Cc1ccco1)[NH2+][C@H]1CCCCNC1 ZINC001246089907 972143035 /nfs/dbraw/zinc/14/30/35/972143035.db2.gz HREBXWNLHXCXHK-NEPJUHHUSA-N 1 3 222.332 1.942 20 0 BDADHO COC(=O)CCCCCCN[C@H]1CCC[NH2+]C1 ZINC001246091486 972147103 /nfs/dbraw/zinc/14/71/03/972147103.db2.gz LKPIQDYDFWRNHT-LBPRGKRZSA-N 1 3 242.363 1.452 20 0 BDADHO O=C1C[C@@H]2CC([NH2+][C@@H]3CNCC34CC4)C[C@H]2C1 ZINC001246134594 972191926 /nfs/dbraw/zinc/19/19/26/972191926.db2.gz RHVOCMOJJMLSLI-OUJBWJOFSA-N 1 3 234.343 1.086 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+]C1CCSCC1 ZINC000822127100 972200523 /nfs/dbraw/zinc/20/05/23/972200523.db2.gz FNZFLOYBDRCBFC-GFCCVEGCSA-N 1 3 228.405 1.956 20 0 BDADHO CCOC(=O)CCCC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246185491 972209954 /nfs/dbraw/zinc/20/99/54/972209954.db2.gz FCZRXOBYBDACLN-VXGBXAGGSA-N 1 3 242.363 1.450 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606056 957086561 /nfs/dbraw/zinc/08/65/61/957086561.db2.gz DKWBBFSSBSORBS-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2CC[C@@H]3CCO[C@H]3C2)C1 ZINC001208606056 957086573 /nfs/dbraw/zinc/08/65/73/957086573.db2.gz DKWBBFSSBSORBS-MCIONIFRSA-N 1 3 238.375 1.439 20 0 BDADHO CN(Cc1ccnnc1)CC1CC[NH+](C)CC1 ZINC001139983293 957281998 /nfs/dbraw/zinc/28/19/98/957281998.db2.gz RRHSPJINLGXNOW-UHFFFAOYSA-N 1 3 234.347 1.250 20 0 BDADHO CCOC(C)(C)CN1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000705781089 957483826 /nfs/dbraw/zinc/48/38/26/957483826.db2.gz OTZUCEFKSPQODX-NWDGAFQWSA-N 1 3 228.380 1.861 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2COCC2(C)C)C1 ZINC000693025894 957512764 /nfs/dbraw/zinc/51/27/64/957512764.db2.gz GEOMFLJSCXFHQK-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2COCC2(C)C)C1 ZINC000693025894 957512769 /nfs/dbraw/zinc/51/27/69/957512769.db2.gz GEOMFLJSCXFHQK-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000693025894 957512777 /nfs/dbraw/zinc/51/27/77/957512777.db2.gz GEOMFLJSCXFHQK-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO CCN(CCC[NH+](C)C)[C@@H](C)COC ZINC000706065861 957623346 /nfs/dbraw/zinc/62/33/46/957623346.db2.gz JTZLBDNBCCNDMC-NSHDSACASA-N 1 3 202.342 1.295 20 0 BDADHO CC(C)[PH+](CCNC(=O)C1(N)CC1)C(C)C ZINC001221254618 972304756 /nfs/dbraw/zinc/30/47/56/972304756.db2.gz RHZCDIGHXUPIPQ-UHFFFAOYSA-N 1 3 244.319 1.893 20 0 BDADHO CC(C)OC1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246447928 972320172 /nfs/dbraw/zinc/32/01/72/972320172.db2.gz XVJXYTHXKGCNOI-WXRRBKDZSA-N 1 3 238.375 1.674 20 0 BDADHO CC(C)OC1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246447928 972320175 /nfs/dbraw/zinc/32/01/75/972320175.db2.gz XVJXYTHXKGCNOI-WXRRBKDZSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[C@H]2O)CCN1 ZINC001246466526 972338723 /nfs/dbraw/zinc/33/87/23/972338723.db2.gz QUYNWLFFLMWFTM-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]1CC[C@H](N2CCN(C3CCC3)CC2)C[NH2+]1 ZINC000398973267 958468718 /nfs/dbraw/zinc/46/87/18/958468718.db2.gz AJCPPELWCKONNM-JSGCOSHPSA-N 1 3 237.391 1.297 20 0 BDADHO C[C@H]1CC[C@H](NCCCC(C)(C)CO)C[NH2+]1 ZINC000399119686 958517147 /nfs/dbraw/zinc/51/71/47/958517147.db2.gz OIDZNQHKSRZCQO-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1cscn1 ZINC000693560036 958802265 /nfs/dbraw/zinc/80/22/65/958802265.db2.gz RQUNYUPXFBDVLK-XHNCKOQMSA-N 1 3 211.334 1.531 20 0 BDADHO [NH3+]CC[C@@H]1CCN(Cc2cncs2)C1 ZINC000690739029 958856509 /nfs/dbraw/zinc/85/65/09/958856509.db2.gz PNJACEKVABQERE-SECBINFHSA-N 1 3 211.334 1.314 20 0 BDADHO COC(=O)CC[N@H+](C)CC(C)(C)CN(C)C ZINC001207288794 958887241 /nfs/dbraw/zinc/88/72/41/958887241.db2.gz VOGUUGQOUWUCHH-UHFFFAOYSA-N 1 3 230.352 1.069 20 0 BDADHO COC(=O)CC[N@@H+](C)CC(C)(C)CN(C)C ZINC001207288794 958887242 /nfs/dbraw/zinc/88/72/42/958887242.db2.gz VOGUUGQOUWUCHH-UHFFFAOYSA-N 1 3 230.352 1.069 20 0 BDADHO CN(C)Cc1cccc(-n2cccc2C[NH3+])n1 ZINC001167589735 958976944 /nfs/dbraw/zinc/97/69/44/958976944.db2.gz KYPPNXXSWBJWOI-UHFFFAOYSA-N 1 3 230.315 1.393 20 0 BDADHO CCn1cc(CN(C)CCCCCC[NH3+])cn1 ZINC000693697960 959207531 /nfs/dbraw/zinc/20/75/31/959207531.db2.gz LWCNOSKMHURYPE-UHFFFAOYSA-N 1 3 238.379 1.854 20 0 BDADHO NC[C@H]1CCCC[N@H+](C[C@H]2CCOC2)C1 ZINC000308868045 959529638 /nfs/dbraw/zinc/52/96/38/959529638.db2.gz RHYYKOYQDLWTAL-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@H]1CCCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000308868045 959529643 /nfs/dbraw/zinc/52/96/43/959529643.db2.gz RHYYKOYQDLWTAL-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO CCSC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246530873 972437197 /nfs/dbraw/zinc/43/71/97/972437197.db2.gz OOWWVOZOEHXRQF-VHSXEESVSA-N 1 3 202.367 1.551 20 0 BDADHO CCSC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246530873 972437201 /nfs/dbraw/zinc/43/72/01/972437201.db2.gz OOWWVOZOEHXRQF-VHSXEESVSA-N 1 3 202.367 1.551 20 0 BDADHO NCC(C[NH3+])NCc1ccc2ccccc2c1 ZINC000695330598 960202170 /nfs/dbraw/zinc/20/21/70/960202170.db2.gz VMYAKAMCSFQPKF-UHFFFAOYSA-N 1 3 229.327 1.215 20 0 BDADHO CC(C)(C)c1cccc(CNC(CN)C[NH3+])c1 ZINC000695355300 960210484 /nfs/dbraw/zinc/21/04/84/960210484.db2.gz HDFIYQIAYVTORU-UHFFFAOYSA-N 1 3 235.375 1.360 20 0 BDADHO CC(C)(C)CN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492374 972525165 /nfs/dbraw/zinc/52/51/65/972525165.db2.gz VDYPBJKRCHOIDT-RYUDHWBXSA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]C(C)C)N(C)C ZINC001268003308 960711654 /nfs/dbraw/zinc/71/16/54/960711654.db2.gz LKZKVRZFDSBBHQ-NEPJUHHUSA-N 1 3 243.395 1.077 20 0 BDADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]C(C)C)N(C)C ZINC001268092809 961203730 /nfs/dbraw/zinc/20/37/30/961203730.db2.gz FVNGSDORJJCCSF-VXGBXAGGSA-N 1 3 243.395 1.172 20 0 BDADHO C[NH+](C)Cc1c[nH]c2nccc(NC=N)c12 ZINC001167866996 961350591 /nfs/dbraw/zinc/35/05/91/961350591.db2.gz GERUNAIEJNKZQR-UHFFFAOYSA-N 1 3 217.276 1.643 20 0 BDADHO CN(C)CC[NH+](CCN(C)C)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167941481 962192390 /nfs/dbraw/zinc/19/23/90/962192390.db2.gz ZHXNKLNLJKKEEB-WDNDVIMCSA-N 1 3 239.407 1.210 20 0 BDADHO Nc1ccnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001155402319 963065974 /nfs/dbraw/zinc/06/59/74/963065974.db2.gz JDPCNLGFLMGJEB-CMPLNLGQSA-N 1 3 218.304 1.360 20 0 BDADHO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(CN(C)C)ccn1 ZINC001157746818 963715461 /nfs/dbraw/zinc/71/54/61/963715461.db2.gz NWDJMIGVZOGOCS-YPMHNXCESA-N 1 3 248.374 1.459 20 0 BDADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C(C)C ZINC001272178641 964295947 /nfs/dbraw/zinc/29/59/47/964295947.db2.gz NTKHYFQUMVXWMB-UHFFFAOYSA-N 1 3 243.395 1.125 20 0 BDADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C(C)C ZINC001272178641 964295954 /nfs/dbraw/zinc/29/59/54/964295954.db2.gz NTKHYFQUMVXWMB-UHFFFAOYSA-N 1 3 243.395 1.125 20 0 BDADHO [NH3+]C/C=C/CNc1ncccc1CN1CCCC1 ZINC001160982942 964470502 /nfs/dbraw/zinc/47/05/02/964470502.db2.gz UJZASTYFFZXTNP-OWOJBTEDSA-N 1 3 246.358 1.604 20 0 BDADHO CO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)N(C)C)C12CCC2 ZINC000697824309 964540231 /nfs/dbraw/zinc/54/02/31/964540231.db2.gz BQYQKKRVHQIBOP-JHJVBQTASA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)N(C)CC(=O)NC(C)(C)CC[NH+](C)C ZINC001142590268 964648290 /nfs/dbraw/zinc/64/82/90/964648290.db2.gz PSBHMCGYHWIQNF-UHFFFAOYSA-N 1 3 243.395 1.173 20 0 BDADHO CN1CCC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224701146 964885383 /nfs/dbraw/zinc/88/53/83/964885383.db2.gz CZBUEFKQVDPKJK-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224701146 964885389 /nfs/dbraw/zinc/88/53/89/964885389.db2.gz CZBUEFKQVDPKJK-STQMWFEESA-N 1 3 226.364 1.582 20 0 BDADHO [NH3+][C@H]1CCC[C@H](Nc2ccc3c(n2)CNCC3)C1 ZINC001162393959 964952341 /nfs/dbraw/zinc/95/23/41/964952341.db2.gz NXGYIJGNENSYEG-RYUDHWBXSA-N 1 3 246.358 1.409 20 0 BDADHO NCc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC001162400286 964959258 /nfs/dbraw/zinc/95/92/58/964959258.db2.gz GUCRULBWQKKLEV-VHSXEESVSA-N 1 3 220.320 1.222 20 0 BDADHO NCc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001162405310 964966150 /nfs/dbraw/zinc/96/61/50/964966150.db2.gz UGFGZZGVDAJMAP-ZJUUUORDSA-N 1 3 220.320 1.222 20 0 BDADHO Cc1cc2cc(N[C@@H]3COC[C@@H]3[NH3+])ccc2cn1 ZINC001162926422 965213695 /nfs/dbraw/zinc/21/36/95/965213695.db2.gz SFFGWVADIQJJJG-UONOGXRCSA-N 1 3 243.310 1.681 20 0 BDADHO CCCOCCN[C@@H]1CCC[N@H+](C)CC1 ZINC000714986480 965578654 /nfs/dbraw/zinc/57/86/54/965578654.db2.gz PRBVHMVLIKFBBK-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCCOCCN[C@@H]1CCC[N@@H+](C)CC1 ZINC000714986480 965578670 /nfs/dbraw/zinc/57/86/70/965578670.db2.gz PRBVHMVLIKFBBK-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO Cc1cnc(N2C[C@H](C)CC[C@@H]2C[NH3+])cc1N ZINC001164073547 965731514 /nfs/dbraw/zinc/73/15/14/965731514.db2.gz MCNAJOZALGBSPL-MWLCHTKSSA-N 1 3 234.347 1.536 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2COC[C@@H]2CC)C1 ZINC000699485280 965908410 /nfs/dbraw/zinc/90/84/10/965908410.db2.gz OEBKMRWOZVLXID-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO COC1CCC(CN2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235976830 966188453 /nfs/dbraw/zinc/18/84/53/966188453.db2.gz CCNWZIROQHIWGS-GNRIBBGQSA-N 1 3 238.375 1.615 20 0 BDADHO [NH3+][C@]12CC[C@@H]1CN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001235994213 966213646 /nfs/dbraw/zinc/21/36/46/966213646.db2.gz UWTHLHYRFQKKCU-RISCZKNCSA-N 1 3 242.326 1.486 20 0 BDADHO [NH3+][C@]12CC[C@@H]1CN(Cc1cc3cnccc3[nH]1)C2 ZINC001235994213 966213668 /nfs/dbraw/zinc/21/36/68/966213668.db2.gz UWTHLHYRFQKKCU-RISCZKNCSA-N 1 3 242.326 1.486 20 0 BDADHO Cc1cc2[nH]ccc2c(N2C[C@@H]([NH3+])[C@@H](F)C2)n1 ZINC001166930185 966443112 /nfs/dbraw/zinc/44/31/12/966443112.db2.gz PNUYNGVNKJAAKX-VHSXEESVSA-N 1 3 234.278 1.357 20 0 BDADHO CCC1(Nc2nccc3c2CCN3)C[NH2+]C1 ZINC001168580430 966909951 /nfs/dbraw/zinc/90/99/51/966909951.db2.gz KDAZWCQYSPENBN-UHFFFAOYSA-N 1 3 218.304 1.214 20 0 BDADHO CCC1(Nc2c[nH]cc3ccnc2-3)C[NH2+]C1 ZINC001168584062 966933613 /nfs/dbraw/zinc/93/36/13/966933613.db2.gz XSILWPPBVAMUFH-UHFFFAOYSA-N 1 3 216.288 1.727 20 0 BDADHO CCC1(Nc2cncc3cc[nH]c32)C[NH2+]C1 ZINC001168584062 966933618 /nfs/dbraw/zinc/93/36/18/966933618.db2.gz XSILWPPBVAMUFH-UHFFFAOYSA-N 1 3 216.288 1.727 20 0 BDADHO CSCCCN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205058834 967316053 /nfs/dbraw/zinc/31/60/53/967316053.db2.gz VSBYRLYWXZHVAM-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2c[nH]c3ccncc23)CC1 ZINC001205109150 967352772 /nfs/dbraw/zinc/35/27/72/967352772.db2.gz BPDMYZVHIFMWJJ-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO Cn1nccc1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545542 967692508 /nfs/dbraw/zinc/69/25/08/967692508.db2.gz JBVNRDMTOOJYJG-LBPRGKRZSA-N 1 3 240.326 1.073 20 0 BDADHO CC1(C[N@@H+]2CCCC[C@H](CN)C2)CCOCC1 ZINC001206606063 968414207 /nfs/dbraw/zinc/41/42/07/968414207.db2.gz BYCVULZHWGGJSA-CYBMUJFWSA-N 1 3 240.391 1.864 20 0 BDADHO CC1(C[N@H+]2CCCC[C@H](CN)C2)CCOCC1 ZINC001206606063 968414213 /nfs/dbraw/zinc/41/42/13/968414213.db2.gz BYCVULZHWGGJSA-CYBMUJFWSA-N 1 3 240.391 1.864 20 0 BDADHO [NH3+]C[C@H]1CCCCN(Cc2ccc(=O)[nH]c2)C1 ZINC001206616406 968418961 /nfs/dbraw/zinc/41/89/61/968418961.db2.gz NSZLTXAFHXAERR-LLVKDONJSA-N 1 3 235.331 1.348 20 0 BDADHO CN1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001276496426 968493004 /nfs/dbraw/zinc/49/30/04/968493004.db2.gz BQKKBOJLNLZPKE-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CC[C@H]2[C@@H]1CC[N@H+]2C[C@H]1CCCN(C)C1 ZINC001276496426 968493011 /nfs/dbraw/zinc/49/30/11/968493011.db2.gz BQKKBOJLNLZPKE-IHRRRGAJSA-N 1 3 237.391 1.107 20 0 BDADHO CN(Cc1ccc[nH]c1=O)C1CC[NH+](C)CC1 ZINC001207000469 968534797 /nfs/dbraw/zinc/53/47/97/968534797.db2.gz MPQCFCJBNLQEJM-UHFFFAOYSA-N 1 3 235.331 1.313 20 0 BDADHO CCCC[C@@H](O)C[NH2+]CC[C@@H]1CCCN1C ZINC001252113367 968597877 /nfs/dbraw/zinc/59/78/77/968597877.db2.gz YPWFWTUZZZVAHP-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@@H](O)CNCC[C@@H]1CCC[N@@H+]1C ZINC001252113367 968597885 /nfs/dbraw/zinc/59/78/85/968597885.db2.gz YPWFWTUZZZVAHP-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@@H](O)CNCC[C@@H]1CCC[N@H+]1C ZINC001252113367 968597895 /nfs/dbraw/zinc/59/78/95/968597895.db2.gz YPWFWTUZZZVAHP-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO C[NH+]1CCC(CN2CC(c3cccnc3)C2)CC1 ZINC001207399099 968752148 /nfs/dbraw/zinc/75/21/48/968752148.db2.gz ZSEZNZCRJMFKDG-UHFFFAOYSA-N 1 3 245.370 1.823 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCSC3)[C@H]2C1 ZINC001207838135 968896395 /nfs/dbraw/zinc/89/63/95/968896395.db2.gz WGTUKRFCNHMBNZ-USZNOCQGSA-N 1 3 226.389 1.422 20 0 BDADHO CN(C[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC001207950215 968945814 /nfs/dbraw/zinc/94/58/14/968945814.db2.gz PRYQPUUZBIEDQN-ZDUSSCGKSA-N 1 3 226.364 1.582 20 0 BDADHO Cc1cc(C)nc(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155510310 968989486 /nfs/dbraw/zinc/98/94/86/968989486.db2.gz RUVUGRPCOJEGHN-JSGCOSHPSA-N 1 3 247.342 1.346 20 0 BDADHO CCN(CCOC)C[C@H]1CCC[N@H+](C)C1 ZINC001208603876 969152785 /nfs/dbraw/zinc/15/27/85/969152785.db2.gz HTQCWQBGGWCIPF-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO CCN(CCOC)C[C@H]1CCC[N@@H+](C)C1 ZINC001208603876 969152790 /nfs/dbraw/zinc/15/27/90/969152790.db2.gz HTQCWQBGGWCIPF-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO CC(C)CC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384541 969149226 /nfs/dbraw/zinc/14/92/26/969149226.db2.gz XYBZWOCQKPIQHV-NSHDSACASA-N 1 3 216.369 1.371 20 0 BDADHO CC(C)CCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253384541 969149230 /nfs/dbraw/zinc/14/92/30/969149230.db2.gz XYBZWOCQKPIQHV-NSHDSACASA-N 1 3 216.369 1.371 20 0 BDADHO CC[NH+]1CCC(CN2C[C@@H](C)OC[C@@H]2C)CC1 ZINC001208602809 969156341 /nfs/dbraw/zinc/15/63/41/969156341.db2.gz OATBUKOJLKKLPI-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO CN(C)c1cc[nH+]cc1NC1=CCN(C)CC1 ZINC001208741352 969225625 /nfs/dbraw/zinc/22/56/25/969225625.db2.gz HVBPEXFFJMWXES-UHFFFAOYSA-N 1 3 232.331 1.779 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096156 969382807 /nfs/dbraw/zinc/38/28/07/969382807.db2.gz VAEVIKBARYCQOI-ZDEQEGDKSA-N 1 3 225.380 1.151 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCN(C)CC1)C2 ZINC001169077846 969398998 /nfs/dbraw/zinc/39/89/98/969398998.db2.gz AHECJUAQIHJTQC-ZSOGYDGISA-N 1 3 237.391 1.295 20 0 BDADHO C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cnn(C)c1 ZINC001169102169 969399324 /nfs/dbraw/zinc/39/93/24/969399324.db2.gz XVCQUAMHFIVXPF-RUZUBIRVSA-N 1 3 248.374 1.696 20 0 BDADHO C[C@H]1COCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169124206 969421023 /nfs/dbraw/zinc/42/10/23/969421023.db2.gz ASGGRXGJFFICMH-MQYQWHSLSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@H]1COCCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169124206 969421026 /nfs/dbraw/zinc/42/10/26/969421026.db2.gz ASGGRXGJFFICMH-MQYQWHSLSA-N 1 3 238.375 1.580 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC(C3COC3)C1)C2 ZINC001169125769 969425380 /nfs/dbraw/zinc/42/53/80/969425380.db2.gz LABXZQLDTSIMMK-BTTYYORXSA-N 1 3 236.359 1.190 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC(C3COC3)C1)C2 ZINC001169125769 969425384 /nfs/dbraw/zinc/42/53/84/969425384.db2.gz LABXZQLDTSIMMK-BTTYYORXSA-N 1 3 236.359 1.190 20 0 BDADHO COC(=O)C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109044 969444234 /nfs/dbraw/zinc/44/42/34/969444234.db2.gz HBRKLHSCNUHNKV-FIQHERPVSA-N 1 3 240.347 1.153 20 0 BDADHO COC(=O)C[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109044 969444239 /nfs/dbraw/zinc/44/42/39/969444239.db2.gz HBRKLHSCNUHNKV-FIQHERPVSA-N 1 3 240.347 1.153 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCOCC1(C)C)C2 ZINC001169139625 969447761 /nfs/dbraw/zinc/44/77/61/969447761.db2.gz CBTDLVSNKXPDTE-ITGUQSILSA-N 1 3 238.375 1.722 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCOCC1(C)C)C2 ZINC001169139625 969447767 /nfs/dbraw/zinc/44/77/67/969447767.db2.gz CBTDLVSNKXPDTE-ITGUQSILSA-N 1 3 238.375 1.722 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CSC3)C1)C2 ZINC001169154244 969470564 /nfs/dbraw/zinc/47/05/64/969470564.db2.gz OYHCFXLPIJORKZ-GDNZZTSVSA-N 1 3 238.400 1.660 20 0 BDADHO CC[NH+]1CCC(NCCc2cncs2)CC1 ZINC001169230116 969501076 /nfs/dbraw/zinc/50/10/76/969501076.db2.gz QWLCMFMEOZKLEZ-UHFFFAOYSA-N 1 3 239.388 1.760 20 0 BDADHO CC[NH+]1CCC(n2ccc([C@H](C)N)n2)CC1 ZINC001169231192 969502717 /nfs/dbraw/zinc/50/27/17/969502717.db2.gz WFVOSXPJYGIVJD-JTQLQIEISA-N 1 3 222.336 1.560 20 0 BDADHO C[C@H](N)c1ccn(-c2ccccc2CC[NH3+])n1 ZINC001169232520 969510757 /nfs/dbraw/zinc/51/07/57/969510757.db2.gz GNXVXBOOUYKDOH-JTQLQIEISA-N 1 3 230.315 1.393 20 0 BDADHO C[C@@H](N)c1ccn(-c2ccc([C@H](C)[NH3+])nc2)n1 ZINC001169236390 969526458 /nfs/dbraw/zinc/52/64/58/969526458.db2.gz CTBZHEJUGJDUEK-DTWKUNHWSA-N 1 3 231.303 1.307 20 0 BDADHO CN1CCC[C@H]([NH2+]C2(CF)CC2)CC1 ZINC001254498343 969660537 /nfs/dbraw/zinc/66/05/37/969660537.db2.gz WCMZBHKOMDFHPX-JTQLQIEISA-N 1 3 200.301 1.562 20 0 BDADHO CCC[N@H+](CCCN)C1CCN(C(C)=O)CC1 ZINC001254413994 969610780 /nfs/dbraw/zinc/61/07/80/969610780.db2.gz LFESMMJGZCDIQS-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO CCC[N@@H+](CCCN)C1CCN(C(C)=O)CC1 ZINC001254413994 969610783 /nfs/dbraw/zinc/61/07/83/969610783.db2.gz LFESMMJGZCDIQS-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO C[C@H]1C[N@H+](Cc2ccc([O-])cn2)CCC[C@H]1C[NH3+] ZINC001206011658 969636579 /nfs/dbraw/zinc/63/65/79/969636579.db2.gz FTUCMOMZDAPYBD-RYUDHWBXSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1C[N@@H+](Cc2ccc([O-])cn2)CCC[C@H]1C[NH3+] ZINC001206011658 969636582 /nfs/dbraw/zinc/63/65/82/969636582.db2.gz FTUCMOMZDAPYBD-RYUDHWBXSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1C[N@H+](Cc2ccc([O-])cn2)CCC[C@H]1C[NH3+] ZINC001206011652 969636605 /nfs/dbraw/zinc/63/66/05/969636605.db2.gz FTUCMOMZDAPYBD-NEPJUHHUSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1C[N@@H+](Cc2ccc([O-])cn2)CCC[C@H]1C[NH3+] ZINC001206011652 969636610 /nfs/dbraw/zinc/63/66/10/969636610.db2.gz FTUCMOMZDAPYBD-NEPJUHHUSA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H](N)c1nccn1[C@@H]1CCC[N@H+](C)CC1 ZINC001254498390 969658536 /nfs/dbraw/zinc/65/85/36/969658536.db2.gz YKUDECFVGPDMFU-GHMZBOCLSA-N 1 3 222.336 1.560 20 0 BDADHO C[C@@H](N)c1nccn1[C@@H]1CCC[N@@H+](C)CC1 ZINC001254498390 969658542 /nfs/dbraw/zinc/65/85/42/969658542.db2.gz YKUDECFVGPDMFU-GHMZBOCLSA-N 1 3 222.336 1.560 20 0 BDADHO COCCN(C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254516018 969687559 /nfs/dbraw/zinc/68/75/59/969687559.db2.gz IPQRNODWMGWVGF-LLVKDONJSA-N 1 3 200.326 1.049 20 0 BDADHO COCCN(C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254516018 969687554 /nfs/dbraw/zinc/68/75/54/969687554.db2.gz IPQRNODWMGWVGF-LLVKDONJSA-N 1 3 200.326 1.049 20 0 BDADHO CN([C@H]1CCOC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522047 969710653 /nfs/dbraw/zinc/71/06/53/969710653.db2.gz BCOUGOBFKZCYOA-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO CN([C@H]1CCOC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254522047 969710663 /nfs/dbraw/zinc/71/06/63/969710663.db2.gz BCOUGOBFKZCYOA-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO Cc1cc(CN)nn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254835351 969798958 /nfs/dbraw/zinc/79/89/58/969798958.db2.gz GICLJARHJINAGI-CYBMUJFWSA-N 1 3 234.347 1.307 20 0 BDADHO Nc1nc2cc(-n3ccc(C[NH3+])c3)ccc2[nH]1 ZINC001169726598 969819646 /nfs/dbraw/zinc/81/96/46/969819646.db2.gz VOYCPSPPUIMNAY-UHFFFAOYSA-N 1 3 227.271 1.395 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNc2cc(CN)ncn2)C1 ZINC001156377808 969849304 /nfs/dbraw/zinc/84/93/04/969849304.db2.gz GLDORJMRMMBXAI-LLVKDONJSA-N 1 3 249.362 1.079 20 0 BDADHO C[N@H+]1CCC[C@H](CCNc2cc(CN)ncn2)C1 ZINC001156377808 969849310 /nfs/dbraw/zinc/84/93/10/969849310.db2.gz GLDORJMRMMBXAI-LLVKDONJSA-N 1 3 249.362 1.079 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169921720 969887006 /nfs/dbraw/zinc/88/70/06/969887006.db2.gz ATRQRKPAPVUERE-NWDGAFQWSA-N 1 3 242.363 1.199 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169921720 969887009 /nfs/dbraw/zinc/88/70/09/969887009.db2.gz ATRQRKPAPVUERE-NWDGAFQWSA-N 1 3 242.363 1.199 20 0 BDADHO N=C(NCCCC[NH3+])Nc1ncc(C2CC2)cn1 ZINC001157096263 970090055 /nfs/dbraw/zinc/09/00/55/970090055.db2.gz GJTHEXMJWMHFHN-UHFFFAOYSA-N 1 3 248.334 1.029 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN)C1 ZINC001255348465 970122462 /nfs/dbraw/zinc/12/24/62/970122462.db2.gz IEVIKZLGVWMYRS-TUAOUCFPSA-N 1 3 242.363 1.293 20 0 BDADHO CN1CC[C@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC001255417727 970139293 /nfs/dbraw/zinc/13/92/93/970139293.db2.gz OOLREYJBMVFDBZ-ZDUSSCGKSA-N 1 3 237.391 1.297 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CCC[N@H+](C)C1 ZINC001255475531 970206430 /nfs/dbraw/zinc/20/64/30/970206430.db2.gz RFJKNZCAWIWEHZ-CYBMUJFWSA-N 1 3 236.363 1.561 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CCC[N@@H+](C)C1 ZINC001255475531 970206436 /nfs/dbraw/zinc/20/64/36/970206436.db2.gz RFJKNZCAWIWEHZ-CYBMUJFWSA-N 1 3 236.363 1.561 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)CCO1 ZINC001170182170 970560931 /nfs/dbraw/zinc/56/09/31/970560931.db2.gz MNUILGSSIMFKAL-GARJFASQSA-N 1 3 200.326 1.128 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)(C)O ZINC001255940890 970569660 /nfs/dbraw/zinc/56/96/60/970569660.db2.gz IAWWKBMQQPFXOB-LLVKDONJSA-N 1 3 216.369 1.467 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)O ZINC001255940890 970569669 /nfs/dbraw/zinc/56/96/69/970569669.db2.gz IAWWKBMQQPFXOB-LLVKDONJSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](O)C1 ZINC001255941388 970572789 /nfs/dbraw/zinc/57/27/89/970572789.db2.gz PQFKIOHOKXQDBH-AGIUHOORSA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC1COC1 ZINC001255941510 970573209 /nfs/dbraw/zinc/57/32/09/970573209.db2.gz SGFIIPIVOUTQQE-LLVKDONJSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](N)c1nccn1C1CC[NH+](C2CC2)CC1 ZINC001256065929 970630334 /nfs/dbraw/zinc/63/03/34/970630334.db2.gz KLQDHDKKJAJFED-JTQLQIEISA-N 1 3 234.347 1.702 20 0 BDADHO CC[N@H+](CCN(C)C)C1CCN(C2CC2)CC1 ZINC001256072588 970638757 /nfs/dbraw/zinc/63/87/57/970638757.db2.gz DYQMPOQSFMOVLB-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO CC[N@@H+](CCN(C)C)C1CCN(C2CC2)CC1 ZINC001256072588 970638765 /nfs/dbraw/zinc/63/87/65/970638765.db2.gz DYQMPOQSFMOVLB-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO COCCN(C)C1CC[NH+](C2CC2)CC1 ZINC001256072351 970640205 /nfs/dbraw/zinc/64/02/05/970640205.db2.gz CHGUPLQPCKADRE-UHFFFAOYSA-N 1 3 212.337 1.191 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000400986567 970654660 /nfs/dbraw/zinc/65/46/60/970654660.db2.gz UPBDZZKTECLAOT-HBIQZDMRSA-N 1 3 241.379 1.136 20 0 BDADHO CN1CC(CNc2[nH+]ccc3c2CCN3)C1 ZINC001170251901 970659765 /nfs/dbraw/zinc/65/97/65/970659765.db2.gz FSEMDQFTDBLVCF-UHFFFAOYSA-N 1 3 218.304 1.023 20 0 BDADHO [NH3+]CC1(F)CC[NH+](Cc2occc2[S-])CC1 ZINC001222548248 972557628 /nfs/dbraw/zinc/55/76/28/972557628.db2.gz CSURVXXZFRYDAR-UHFFFAOYSA-N 1 3 244.335 1.831 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553619 972745573 /nfs/dbraw/zinc/74/55/73/972745573.db2.gz BNEOQQJGGNXRRC-VWYCJHECSA-N 1 3 248.317 1.470 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](O)(CF)CC2)CCN1 ZINC001246568172 972823289 /nfs/dbraw/zinc/82/32/89/972823289.db2.gz MDANXLFNXZTQNH-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@](O)(CF)CC2)CCN1 ZINC001246568172 972823291 /nfs/dbraw/zinc/82/32/91/972823291.db2.gz MDANXLFNXZTQNH-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@@](O)(CF)CC2)CC[NH2+]1 ZINC001246568172 972823299 /nfs/dbraw/zinc/82/32/99/972823299.db2.gz MDANXLFNXZTQNH-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C(C)(C)C)CC1 ZINC000042463206 973049686 /nfs/dbraw/zinc/04/96/86/973049686.db2.gz ZDYCWARPQILZEW-CYBMUJFWSA-N 1 3 241.423 1.776 20 0 BDADHO C1C[C@@]2(CCCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)O1 ZINC001246828702 973121077 /nfs/dbraw/zinc/12/10/77/973121077.db2.gz FXKQSGACSLEXBX-QNMSZWNNSA-N 1 3 236.359 1.524 20 0 BDADHO CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146603287 973178364 /nfs/dbraw/zinc/17/83/64/973178364.db2.gz WOQIEYJWGLFCRQ-VXGBXAGGSA-N 1 3 243.395 1.219 20 0 BDADHO C[NH+]1C(C)(C)CC(NCCC(N)=O)CC1(C)C ZINC001171623311 974112239 /nfs/dbraw/zinc/11/22/39/974112239.db2.gz SPQKNXZFXPRNNO-UHFFFAOYSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1Cc2cccc(F)c2C1 ZINC001171783038 974169803 /nfs/dbraw/zinc/16/98/03/974169803.db2.gz IRWZGSMIHVUEMT-KOLCDFICSA-N 1 3 222.307 1.477 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783038 974169821 /nfs/dbraw/zinc/16/98/21/974169821.db2.gz IRWZGSMIHVUEMT-KOLCDFICSA-N 1 3 222.307 1.477 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CC[C@@H]3C1)C2 ZINC001172133621 974357746 /nfs/dbraw/zinc/35/77/46/974357746.db2.gz UAGREEMBGVHSPQ-LXTVHRRPSA-N 1 3 249.402 1.392 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CC[C@@H]3C1)C2 ZINC001172133621 974357757 /nfs/dbraw/zinc/35/77/57/974357757.db2.gz UAGREEMBGVHSPQ-LXTVHRRPSA-N 1 3 249.402 1.392 20 0 BDADHO CCOCCNC1CC[NH+](CCCOC)CC1 ZINC001172242010 974505733 /nfs/dbraw/zinc/50/57/33/974505733.db2.gz CNHYBEZFPBGLDQ-UHFFFAOYSA-N 1 3 244.379 1.113 20 0 BDADHO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206163907 974513878 /nfs/dbraw/zinc/51/38/78/974513878.db2.gz HQHNESMKHWZCQD-VXGBXAGGSA-N 1 3 240.326 1.288 20 0 BDADHO CCOCC[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC001172409868 974671593 /nfs/dbraw/zinc/67/15/93/974671593.db2.gz ALKCRLYXKFYOHK-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCOCC[C@H](C)N1CCC[C@H]1C[NH3+] ZINC001172412307 974678893 /nfs/dbraw/zinc/67/88/93/974678893.db2.gz SZSQMNMVIOHIAU-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO Cc1nc(NCC[C@@H](C)[NH3+])cc(N(C)C)n1 ZINC000258670709 974900625 /nfs/dbraw/zinc/90/06/25/974900625.db2.gz HZNXNBGAZVMWNI-MRVPVSSYSA-N 1 3 223.324 1.000 20 0 BDADHO C[C@]1(CN2CC[C@@H]3OCCC[C@@H]3C2)CC[NH2+]C1 ZINC001332338379 975061944 /nfs/dbraw/zinc/06/19/44/975061944.db2.gz CURGSCINSVJWIA-RDBSUJKOSA-N 1 3 238.375 1.487 20 0 BDADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC(N)C2)C1 ZINC001173638780 975495816 /nfs/dbraw/zinc/49/58/16/975495816.db2.gz ZQWBEQAESDNGLO-ZYGVAYEYSA-N 1 3 240.347 1.188 20 0 BDADHO CN1CCc2cc(O[C@@H]3CC[N@H+](C)C3)ccc2C1 ZINC001228936989 976590689 /nfs/dbraw/zinc/59/06/89/976590689.db2.gz RZSCRENIEYNHFQ-OAHLLOKOSA-N 1 3 246.354 1.757 20 0 BDADHO CN1CCc2cc(O[C@@H]3CC[N@@H+](C)C3)ccc2C1 ZINC001228936989 976590700 /nfs/dbraw/zinc/59/07/00/976590700.db2.gz RZSCRENIEYNHFQ-OAHLLOKOSA-N 1 3 246.354 1.757 20 0 BDADHO CN(C)CCC[N@H+](C)Cc1c[nH]c2cccnc12 ZINC001231486407 977606333 /nfs/dbraw/zinc/60/63/33/977606333.db2.gz SPBNCLRBVFJXNM-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CN(C)CCC[N@@H+](C)Cc1c[nH]c2cccnc12 ZINC001231486407 977606340 /nfs/dbraw/zinc/60/63/40/977606340.db2.gz SPBNCLRBVFJXNM-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO Cc1ncc(Nc2cc(C)[nH+]c(C)c2)n1C ZINC001176051219 977897224 /nfs/dbraw/zinc/89/72/24/977897224.db2.gz CNBDEXHHNOSLDL-UHFFFAOYSA-N 1 3 216.288 1.906 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C)C2)C1 ZINC000328202059 978208247 /nfs/dbraw/zinc/20/82/47/978208247.db2.gz SEEPTPOQGYXJDX-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO Cn1cncc1N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277765874 978473448 /nfs/dbraw/zinc/47/34/48/978473448.db2.gz VGSKXVZFRKBAJL-TXEJJXNPSA-N 1 3 234.347 1.198 20 0 BDADHO Cn1cncc1N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277765874 978473454 /nfs/dbraw/zinc/47/34/54/978473454.db2.gz VGSKXVZFRKBAJL-TXEJJXNPSA-N 1 3 234.347 1.198 20 0 BDADHO Cc1ncc(CN2CCC3(C2)CC[NH+](C)CC3)o1 ZINC001233367602 978581589 /nfs/dbraw/zinc/58/15/89/978581589.db2.gz TTYVJKSFLITZJH-UHFFFAOYSA-N 1 3 249.358 1.901 20 0 BDADHO CC(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277888073 978904183 /nfs/dbraw/zinc/90/41/83/978904183.db2.gz HFNGUWTXZULZSB-WCFLWFBJSA-N 1 3 224.348 1.238 20 0 BDADHO CC(=O)[C@H](C)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277888073 978904187 /nfs/dbraw/zinc/90/41/87/978904187.db2.gz HFNGUWTXZULZSB-WCFLWFBJSA-N 1 3 224.348 1.238 20 0 BDADHO CN1CCN(CCCC[NH3+])Cc2cccnc21 ZINC001235611447 979104608 /nfs/dbraw/zinc/10/46/08/979104608.db2.gz LWNIARMNBVDBHF-UHFFFAOYSA-N 1 3 234.347 1.072 20 0 BDADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001340917959 979157318 /nfs/dbraw/zinc/15/73/18/979157318.db2.gz ROHWDKYAIUTFCC-IJLUTSLNSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@@H]([NH3+])CN1CCN[C@@H](c2ccccc2)C1 ZINC001235857977 979172219 /nfs/dbraw/zinc/17/22/19/979172219.db2.gz BZGSMUOYLFFKNJ-ZIAGYGMSSA-N 1 3 233.359 1.370 20 0 BDADHO c1ccc([C@@H]2CN(C[C@H]3CC[NH2+]C3)CCN2)cc1 ZINC001235859835 979173902 /nfs/dbraw/zinc/17/39/02/979173902.db2.gz PNVGMRFWUQIVOO-ZFWWWQNUSA-N 1 3 245.370 1.242 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@H+](CCCc1ccncc1)C2 ZINC001235981803 979263487 /nfs/dbraw/zinc/26/34/87/979263487.db2.gz XJHYLVLBRUBAEH-ZIAGYGMSSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@@H+](CCCc1ccncc1)C2 ZINC001235981803 979263498 /nfs/dbraw/zinc/26/34/98/979263498.db2.gz XJHYLVLBRUBAEH-ZIAGYGMSSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996368 979288906 /nfs/dbraw/zinc/28/89/06/979288906.db2.gz XHSLSAGDRSZMDR-WFASDCNBSA-N 1 3 243.354 1.578 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996368 979288914 /nfs/dbraw/zinc/28/89/14/979288914.db2.gz XHSLSAGDRSZMDR-WFASDCNBSA-N 1 3 243.354 1.578 20 0 BDADHO CC(C)(C)CN(CCO)CCC[NH2+]C1CC1 ZINC000689972391 979412605 /nfs/dbraw/zinc/41/26/05/979412605.db2.gz UWWSOFYANZWZJS-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO CN[C@@H]1CCN1CCC[NH2+]C1CCCCC1 ZINC001236166201 979421501 /nfs/dbraw/zinc/42/15/01/979421501.db2.gz IEYKNJIBZLEKKM-ZDUSSCGKSA-N 1 3 225.380 1.550 20 0 BDADHO C[NH+](C)Cc1cccc(-c2cc(CN)ncn2)c1 ZINC001236413184 979587472 /nfs/dbraw/zinc/58/74/72/979587472.db2.gz APHMCGZFXANHAD-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO C[C@@]1(C[NH3+])CCCCN(Cc2cc[nH]c(=O)c2)C1 ZINC001206549234 979676350 /nfs/dbraw/zinc/67/63/50/979676350.db2.gz LJRIMFDWJTWCMM-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO CC1(CN2CCC[C@](C)([NH3+])CC2)COC1 ZINC001205254861 979731250 /nfs/dbraw/zinc/73/12/50/979731250.db2.gz CQHCQOOEZCWFPC-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO Cc1ccc(O)cc1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001238105529 980155694 /nfs/dbraw/zinc/15/56/94/980155694.db2.gz FJXLKFFSXSDZHP-OKILXGFUSA-N 1 3 246.354 1.694 20 0 BDADHO Cc1ccc(O)cc1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001238105529 980155703 /nfs/dbraw/zinc/15/57/03/980155703.db2.gz FJXLKFFSXSDZHP-OKILXGFUSA-N 1 3 246.354 1.694 20 0 BDADHO CC(C)N1CCC[C@@H]1C(=O)NC(C)(C)CC[NH3+] ZINC001343702461 980201608 /nfs/dbraw/zinc/20/16/08/980201608.db2.gz YJKUWURQONTQLB-LLVKDONJSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001343714231 980214426 /nfs/dbraw/zinc/21/44/26/980214426.db2.gz LXXPKCSXDQMBNA-SDDRHHMPSA-N 1 3 241.379 1.101 20 0 BDADHO c1cc(N2CCN(C3CCC3)CC2)cc[nH+]1 ZINC001347746369 981159895 /nfs/dbraw/zinc/15/98/95/981159895.db2.gz PHKLEIXQZXIULW-UHFFFAOYSA-N 1 3 217.316 1.756 20 0 BDADHO Nc1nc2cc(C3=CC[NH2+]CC3)ccc2[nH]1 ZINC001240466696 981398493 /nfs/dbraw/zinc/39/84/93/981398493.db2.gz FRRIJFQJGDNHJQ-UHFFFAOYSA-N 1 3 214.272 1.522 20 0 BDADHO Nc1nc2ccc(C3=CC[NH2+]CC3)cc2[nH]1 ZINC001240466696 981398502 /nfs/dbraw/zinc/39/85/02/981398502.db2.gz FRRIJFQJGDNHJQ-UHFFFAOYSA-N 1 3 214.272 1.522 20 0 BDADHO Nc1nc2ccc(C3=CCC[NH2+]C3)cc2[nH]1 ZINC001240664224 981573511 /nfs/dbraw/zinc/57/35/11/981573511.db2.gz GDTXUBHLNVRXBG-UHFFFAOYSA-N 1 3 214.272 1.522 20 0 BDADHO Nc1nc2cc(C3=CCC[NH2+]C3)ccc2[nH]1 ZINC001240664224 981573516 /nfs/dbraw/zinc/57/35/16/981573516.db2.gz GDTXUBHLNVRXBG-UHFFFAOYSA-N 1 3 214.272 1.522 20 0 BDADHO OC[C@H](CC1CCCC1)NC[C@]12C[C@H]1C[NH2+]C2 ZINC001580882213 981688154 /nfs/dbraw/zinc/68/81/54/981688154.db2.gz OZPOISXAJDTVQI-MELADBBJSA-N 1 3 238.375 1.127 20 0 BDADHO O[C@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CCCC1(F)F ZINC001580885854 981707602 /nfs/dbraw/zinc/70/76/02/981707602.db2.gz OZMBDDPRONDBED-MXWKQRLJSA-N 1 3 248.317 1.267 20 0 BDADHO C[C@H](CC[NH2+]Cc1cccc2c[nH]nc21)N(C)C ZINC001350327056 981925041 /nfs/dbraw/zinc/92/50/41/981925041.db2.gz JGWDMCOMTYFSRW-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO CN1CC=C(c2cccc(C[NH3+])n2)CC1 ZINC001241309715 982451541 /nfs/dbraw/zinc/45/15/41/982451541.db2.gz XSVYQKLVIBMXQV-UHFFFAOYSA-N 1 3 203.289 1.259 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001354424495 983306537 /nfs/dbraw/zinc/30/65/37/983306537.db2.gz QKHZUYRNMQNLTK-YFKTTZPYSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)(C[NH3+])CC(=O)Nc1cccc2c1CNC2 ZINC001354658402 983338505 /nfs/dbraw/zinc/33/85/05/983338505.db2.gz FYIAFXJYHYBCQR-UHFFFAOYSA-N 1 3 247.342 1.603 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357454060 983719123 /nfs/dbraw/zinc/71/91/23/983719123.db2.gz SFWUNHOXEQGUGY-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001575470409 984125108 /nfs/dbraw/zinc/12/51/08/984125108.db2.gz AAOOBKZMNKPUCF-MXWKQRLJSA-N 1 3 214.353 1.109 20 0 BDADHO CCOC(=O)[C@H](C)[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001577908254 984202916 /nfs/dbraw/zinc/20/29/16/984202916.db2.gz DTTXFFXSSREBTE-IJLUTSLNSA-N 1 3 242.363 1.163 20 0 BDADHO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](CN)C(C)C ZINC001577908514 984203283 /nfs/dbraw/zinc/20/32/83/984203283.db2.gz KNOYAHMRNJVEPF-WOPDTQHZSA-N 1 3 244.379 1.395 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H](C)C[C@@H]2CCC[NH2+]2)C1 ZINC001578160954 984206834 /nfs/dbraw/zinc/20/68/34/984206834.db2.gz FUDWLTYATCNLPZ-YVECIDJPSA-N 1 3 226.364 1.674 20 0 BDADHO CN1CCCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC001578528754 984216411 /nfs/dbraw/zinc/21/64/11/984216411.db2.gz KZKWWBDBEXAYQQ-OLZOCXBDSA-N 1 3 237.391 1.345 20 0 BDADHO C[NH2+]Cc1ccc(-c2ccc(CN)nc2)cc1 ZINC001242992729 984355812 /nfs/dbraw/zinc/35/58/12/984355812.db2.gz OFSVIGDZCJLVGA-UHFFFAOYSA-N 1 3 227.311 1.927 20 0 BDADHO C[N@@H+]1C[C@H]2C[C@@H](C1)N(CCC1CCOCC1)C2 ZINC001275176659 984513106 /nfs/dbraw/zinc/51/31/06/984513106.db2.gz YJIFGWRRVAYTSX-KGLIPLIRSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1C[C@H]2C[C@@H](C1)N(CCC1CCOCC1)C2 ZINC001275176659 984513122 /nfs/dbraw/zinc/51/31/22/984513122.db2.gz YJIFGWRRVAYTSX-KGLIPLIRSA-N 1 3 238.375 1.439 20 0 BDADHO Cn1cnc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001276271724 984837101 /nfs/dbraw/zinc/83/71/01/984837101.db2.gz WHTOQYXUNUZFID-BETUJISGSA-N 1 3 248.374 1.194 20 0 BDADHO Cn1cnc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001276271724 984837103 /nfs/dbraw/zinc/83/71/03/984837103.db2.gz WHTOQYXUNUZFID-BETUJISGSA-N 1 3 248.374 1.194 20 0 BDADHO CCOC1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC001578097744 984848555 /nfs/dbraw/zinc/84/85/55/984848555.db2.gz ITJMPHXMRPBLEQ-KYTFYNBLSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001578148744 984853748 /nfs/dbraw/zinc/85/37/48/984853748.db2.gz IICCQQUECROYQN-UDKBDQPSSA-N 1 3 248.307 1.789 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148531 984855349 /nfs/dbraw/zinc/85/53/49/984855349.db2.gz BDWCPJYLUKAYMJ-UMSGYPCISA-N 1 3 242.363 1.040 20 0 BDADHO CCO[P@@](C)(=O)CC[C@H](C)[NH2+][C@H]1C[C@@H](N)C1 ZINC001578148745 984855809 /nfs/dbraw/zinc/85/58/09/984855809.db2.gz IICCQQUECROYQN-ZSYFIWHWSA-N 1 3 248.307 1.789 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148532 984856021 /nfs/dbraw/zinc/85/60/21/984856021.db2.gz BDWCPJYLUKAYMJ-WUHRBBMRSA-N 1 3 242.363 1.040 20 0 BDADHO CC[C@@H](O)CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC001578226182 984877057 /nfs/dbraw/zinc/87/70/57/984877057.db2.gz WFIIEEJOEHFGLW-WISYIIOYSA-N 1 3 214.353 1.205 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC[C@]1(C)CC[NH2+]C1 ZINC001578228608 984880103 /nfs/dbraw/zinc/88/01/03/984880103.db2.gz DKFXVGANAZDLMU-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC001578622698 985239379 /nfs/dbraw/zinc/23/93/79/985239379.db2.gz YNKPREJXXXLMTD-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC001578622698 985239394 /nfs/dbraw/zinc/23/93/94/985239394.db2.gz YNKPREJXXXLMTD-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(C[C@@H]2CC[NH2+]C2)C1 ZINC000687189787 985250965 /nfs/dbraw/zinc/25/09/65/985250965.db2.gz AUTGLLVQBHUIFF-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO C[NH2+]CC[C@@H]1CCCCN1C[C@H](O)CSC ZINC001578677185 985287630 /nfs/dbraw/zinc/28/76/30/985287630.db2.gz YNGPPRDAFJNLIQ-RYUDHWBXSA-N 1 3 246.420 1.174 20 0 BDADHO COC(=O)[C@]1(C)CCCN(CC(C)(C)C[NH3+])C1 ZINC001578779028 985344652 /nfs/dbraw/zinc/34/46/52/985344652.db2.gz XSTFNWCWMKXZKZ-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)[C@]1(C)CCC[N@H+](CC(C)(C)CN)C1 ZINC001578779028 985344659 /nfs/dbraw/zinc/34/46/59/985344659.db2.gz XSTFNWCWMKXZKZ-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO COC(=O)[C@]1(C)CCC[N@@H+](CC(C)(C)CN)C1 ZINC001578779028 985344676 /nfs/dbraw/zinc/34/46/76/985344676.db2.gz XSTFNWCWMKXZKZ-CYBMUJFWSA-N 1 3 242.363 1.246 20 0 BDADHO COC1(CN2CC[C@H]3CC[C@]32C[NH3+])CCC1 ZINC001578926747 985509431 /nfs/dbraw/zinc/50/94/31/985509431.db2.gz MTWYQJCAQXAXQU-YPMHNXCESA-N 1 3 224.348 1.369 20 0 BDADHO COC1(C[C@@H](C)[NH2+][C@H]2C[C@@H](N)C2)CCC1 ZINC001578926404 985529112 /nfs/dbraw/zinc/52/91/12/985529112.db2.gz GFRIHAAPJWMIPB-MXWKQRLJSA-N 1 3 212.337 1.413 20 0 BDADHO COC1(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC001578926583 985529718 /nfs/dbraw/zinc/52/97/18/985529718.db2.gz HUQHFSIYIGLSBJ-STQMWFEESA-N 1 3 238.375 1.616 20 0 BDADHO COC1(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC001578926583 985529747 /nfs/dbraw/zinc/52/97/47/985529747.db2.gz HUQHFSIYIGLSBJ-STQMWFEESA-N 1 3 238.375 1.616 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1C[C@H]2CC[C@@H]1N2 ZINC001578955429 985577976 /nfs/dbraw/zinc/57/79/76/985577976.db2.gz OTIFHLJNLUZERH-VWYCJHECSA-N 1 3 212.337 1.142 20 0 BDADHO COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCC1 ZINC001578985308 985616449 /nfs/dbraw/zinc/61/64/49/985616449.db2.gz YCAIPVGOBOOEQL-GRYCIOLGSA-N 1 3 224.348 1.286 20 0 BDADHO COCC[C@H]([NH3+])CNC[C@H](OC)C(C)(C)C ZINC001579000930 985641498 /nfs/dbraw/zinc/64/14/98/985641498.db2.gz DABPMWHNAMXBCK-QWRGUYRKSA-N 1 3 232.368 1.001 20 0 BDADHO c1nc2c(cc1C1=CNCCC1)C[NH2+]CC2 ZINC001243949741 985644378 /nfs/dbraw/zinc/64/43/78/985644378.db2.gz IDTMZLCYPRHLGC-UHFFFAOYSA-N 1 3 215.300 1.452 20 0 BDADHO COCC[C@H]([NH3+])CNC[C@@H](OC)C(C)(C)C ZINC001579000931 985646751 /nfs/dbraw/zinc/64/67/51/985646751.db2.gz DABPMWHNAMXBCK-WDEREUQCSA-N 1 3 232.368 1.001 20 0 BDADHO CO[C@@H]1CCCC[C@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC001579114749 985747560 /nfs/dbraw/zinc/74/75/60/985747560.db2.gz ZRKWDAZUVZESES-LPWJVIDDSA-N 1 3 224.348 1.143 20 0 BDADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](C)N ZINC001579132929 985806606 /nfs/dbraw/zinc/80/66/06/985806606.db2.gz IUJOCIRLPGACEQ-WQAKAFBOSA-N 1 3 220.316 1.236 20 0 BDADHO COc1cc(CCN[C@H]2C[C@H]([NH3+])C2(C)C)ccn1 ZINC001579148466 985813447 /nfs/dbraw/zinc/81/34/47/985813447.db2.gz BYSBCCNZOTZFGC-RYUDHWBXSA-N 1 3 249.358 1.348 20 0 BDADHO COC(=O)CC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001258347165 985824146 /nfs/dbraw/zinc/82/41/46/985824146.db2.gz HLJFMKDOERWAOC-GARJFASQSA-N 1 3 228.336 1.188 20 0 BDADHO COc1ccncc1CNC1CC2(C[C@@H]2[NH3+])C1 ZINC001579319683 985837744 /nfs/dbraw/zinc/83/77/44/985837744.db2.gz UOGADXDACRYQDM-YDGIUTOCSA-N 1 3 233.315 1.060 20 0 BDADHO COc1nc(CN2CCC(C[NH3+])CC2)ccc1C ZINC001579324002 985847028 /nfs/dbraw/zinc/84/70/28/985847028.db2.gz VUIBPGTWKRYYHE-UHFFFAOYSA-N 1 3 249.358 1.569 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@H](C)CCO1 ZINC001579439909 985926371 /nfs/dbraw/zinc/92/63/71/985926371.db2.gz BJCPGYHWAGFHON-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001579467501 985964944 /nfs/dbraw/zinc/96/49/44/985964944.db2.gz KNMRWHCGWASXBT-NAWOPXAZSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]1C[C@@H](O)CN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC001579496325 986021809 /nfs/dbraw/zinc/02/18/09/986021809.db2.gz RYKOVVDUKTUMCX-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO Cc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCN2)cc1 ZINC001579684936 986174452 /nfs/dbraw/zinc/17/44/52/986174452.db2.gz ZDEAPVVXPLMKQB-TZMCWYRMSA-N 1 3 218.344 1.878 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)c1C ZINC001461832188 986193694 /nfs/dbraw/zinc/19/36/94/986193694.db2.gz VITPJPJLMMFDCT-JHJVBQTASA-N 1 3 248.374 1.456 20 0 BDADHO Cc1[nH]nc(CN[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1C ZINC001461832188 986193725 /nfs/dbraw/zinc/19/37/25/986193725.db2.gz VITPJPJLMMFDCT-JHJVBQTASA-N 1 3 248.374 1.456 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(C[C@@H](O)C(C)C)C[C@H]2C1 ZINC001253767347 986392206 /nfs/dbraw/zinc/39/22/06/986392206.db2.gz KXIQMXYRQWLTPV-HZSPNIEDSA-N 1 3 240.391 1.277 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(C[C@@H](O)C(C)C)C[C@H]2C1 ZINC001253767347 986392211 /nfs/dbraw/zinc/39/22/11/986392211.db2.gz KXIQMXYRQWLTPV-HZSPNIEDSA-N 1 3 240.391 1.277 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H](O)C(C)C)C[C@@H]2C1 ZINC001253767347 986392220 /nfs/dbraw/zinc/39/22/20/986392220.db2.gz KXIQMXYRQWLTPV-HZSPNIEDSA-N 1 3 240.391 1.277 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](C[C@@H](O)C(C)C)C[C@@H]2C1 ZINC001253767347 986392223 /nfs/dbraw/zinc/39/22/23/986392223.db2.gz KXIQMXYRQWLTPV-HZSPNIEDSA-N 1 3 240.391 1.277 20 0 BDADHO O=c1ccc(CNC[C@H]2C[NH+]3CCC2CC3)c[nH]1 ZINC001462637223 986466639 /nfs/dbraw/zinc/46/66/39/986466639.db2.gz RDXANDYUWJDZTE-ZDUSSCGKSA-N 1 3 247.342 1.219 20 0 BDADHO O=c1ccc(C[NH2+]C[C@H]2CN3CCC2CC3)c[nH]1 ZINC001462637223 986466664 /nfs/dbraw/zinc/46/66/64/986466664.db2.gz RDXANDYUWJDZTE-ZDUSSCGKSA-N 1 3 247.342 1.219 20 0 BDADHO CSC1(C[NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)CC1 ZINC001462663609 986496816 /nfs/dbraw/zinc/49/68/16/986496816.db2.gz FJLVMZACWACTNW-GRYCIOLGSA-N 1 3 240.416 1.812 20 0 BDADHO NCC1(C[NH2+]C[C@]23C[C@H]2COC32CCC2)CC1 ZINC001580243293 986695453 /nfs/dbraw/zinc/69/54/53/986695453.db2.gz AUJVAVDKVKKUEY-WCQYABFASA-N 1 3 236.359 1.274 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCC23CCOCC3)C1 ZINC001580430424 986848656 /nfs/dbraw/zinc/84/86/56/986848656.db2.gz LSMDBZCQNRSTQO-SRVKXCTJSA-N 1 3 224.348 1.415 20 0 BDADHO Nc1cccc(CNCC[NH+]2CCCC2)c1 ZINC001580457225 986855950 /nfs/dbraw/zinc/85/59/50/986855950.db2.gz PMMYUFHEOVSUTR-UHFFFAOYSA-N 1 3 219.332 1.454 20 0 BDADHO C[C@](O)(C[NH2+]CC1(N)CCCC1)c1ccccc1 ZINC001245973761 987249517 /nfs/dbraw/zinc/24/95/17/987249517.db2.gz IASJCOAGGCHCEE-AWEZNQCLSA-N 1 3 248.370 1.755 20 0 BDADHO CCCCC[C@@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245973896 987251075 /nfs/dbraw/zinc/25/10/75/987251075.db2.gz IXBVLVXLYUKUEY-GFCCVEGCSA-N 1 3 228.380 1.789 20 0 BDADHO CCCCC[C@@H](O)CNCC1([NH3+])CCCC1 ZINC001245973896 987251087 /nfs/dbraw/zinc/25/10/87/987251087.db2.gz IXBVLVXLYUKUEY-GFCCVEGCSA-N 1 3 228.380 1.789 20 0 BDADHO CCCCC[C@H](O)CNC[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245974327 987251879 /nfs/dbraw/zinc/25/18/79/987251879.db2.gz MFLLGOSXYJEBBV-IHRRRGAJSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H]([NH3+])CCNC[C@@H](O)c1ccc(F)cc1 ZINC001246001863 987283936 /nfs/dbraw/zinc/28/39/36/987283936.db2.gz PERSYHZFPDNSEC-JOYOIKCWSA-N 1 3 226.295 1.186 20 0 BDADHO CCCCC[C@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246014099 987298924 /nfs/dbraw/zinc/29/89/24/987298924.db2.gz VGONWUOBVULVKM-XQQFMLRXSA-N 1 3 228.380 1.787 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccccc2)CN1 ZINC001246073353 987360206 /nfs/dbraw/zinc/36/02/06/987360206.db2.gz SCLYKGUDOOWSPZ-YUELXQCFSA-N 1 3 248.370 1.624 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+]C1CCNCC1 ZINC001246078994 987371819 /nfs/dbraw/zinc/37/18/19/987371819.db2.gz NTGINAFSTGELKG-LLVKDONJSA-N 1 3 219.332 1.354 20 0 BDADHO C[C@H](Cc1ccncc1)NC1CC[NH2+]CC1 ZINC001246078994 987371823 /nfs/dbraw/zinc/37/18/23/987371823.db2.gz NTGINAFSTGELKG-LLVKDONJSA-N 1 3 219.332 1.354 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCNC[C@H]1F ZINC001246080119 987372699 /nfs/dbraw/zinc/37/26/99/987372699.db2.gz DRJPCFJTWGECBJ-XQQFMLRXSA-N 1 3 245.386 1.396 20 0 BDADHO C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC001246087497 987386311 /nfs/dbraw/zinc/38/63/11/987386311.db2.gz YFHZIQCUQZHUNC-PBYDBYKOSA-N 1 3 224.348 1.427 20 0 BDADHO CC(C)[C@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246093337 987402540 /nfs/dbraw/zinc/40/25/40/987402540.db2.gz UMFXWCDTTGFRFJ-ZDEQEGDKSA-N 1 3 243.370 1.053 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCCOC2)C[NH2+]1 ZINC001246096880 987408501 /nfs/dbraw/zinc/40/85/01/987408501.db2.gz NGVXFUOHZUNREP-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@@H]1CCC[C@H](NC[C@@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246103228 987428178 /nfs/dbraw/zinc/42/81/78/987428178.db2.gz GSGOTMNTIBRBPA-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1CCC[NH2+][C@H]1C ZINC001246105444 987432217 /nfs/dbraw/zinc/43/22/17/987432217.db2.gz AZKUYEVEEQCBLT-SRVKXCTJSA-N 1 3 242.363 1.306 20 0 BDADHO C[C@H]1OCC[C@H]1C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246112253 987445169 /nfs/dbraw/zinc/44/51/69/987445169.db2.gz QHSWPFVNNGTBHW-USZNOCQGSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)CCC[C@H](C)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139687 987500195 /nfs/dbraw/zinc/50/01/95/987500195.db2.gz VQOAZEABGWYCGE-REWJHTLYSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CCN1 ZINC001246187974 987571551 /nfs/dbraw/zinc/57/15/51/987571551.db2.gz RSDLDCLGUIFKNF-YFKTTZPYSA-N 1 3 212.337 1.020 20 0 BDADHO CCOC(=O)CCCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246189068 987572671 /nfs/dbraw/zinc/57/26/71/987572671.db2.gz ZGSYVMRCWBNXGH-RYUDHWBXSA-N 1 3 242.363 1.450 20 0 BDADHO CCOC(=O)CCCCN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246189069 987574445 /nfs/dbraw/zinc/57/44/45/987574445.db2.gz ZGSYVMRCWBNXGH-VXGBXAGGSA-N 1 3 242.363 1.450 20 0 BDADHO C[C@H]1CC[C@H](NC2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194218 987586145 /nfs/dbraw/zinc/58/61/45/987586145.db2.gz GRDJPUQWDMGSPO-AAEUAGOBSA-N 1 3 238.375 1.676 20 0 BDADHO CCOC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246194030 987586895 /nfs/dbraw/zinc/58/68/95/987586895.db2.gz QBTJGLFBYJZIPI-OUAUKWLOSA-N 1 3 228.336 1.058 20 0 BDADHO NCc1nn([C@H]2CCC[NH2+]C2)c2ccccc12 ZINC001246197785 987591498 /nfs/dbraw/zinc/59/14/98/987591498.db2.gz AOOODVVQOTYYEJ-JTQLQIEISA-N 1 3 230.315 1.420 20 0 BDADHO C[C@H](Cc1cnccn1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246237419 987635075 /nfs/dbraw/zinc/63/50/75/987635075.db2.gz OBGJRXFAVAZWLN-IJLUTSLNSA-N 1 3 234.347 1.138 20 0 BDADHO Cc1ccnc(CCN[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246255131 987653112 /nfs/dbraw/zinc/65/31/12/987653112.db2.gz KJCJQBDDQBBLTP-JSGCOSHPSA-N 1 3 233.359 1.663 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C23CCC(O)(CC2)CC3)CCN1 ZINC001246262176 987655779 /nfs/dbraw/zinc/65/57/79/987655779.db2.gz APUMJRQIOARDFQ-IWMBGFJWSA-N 1 3 238.375 1.554 20 0 BDADHO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)NC2)C1 ZINC001246266805 987662674 /nfs/dbraw/zinc/66/26/74/987662674.db2.gz PUIBRWPEFSZZSE-FIQHERPVSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCF)CC2)CCN1 ZINC001246270536 987666289 /nfs/dbraw/zinc/66/62/89/987666289.db2.gz GJZFEHSGUYSPAG-AAEUAGOBSA-N 1 3 243.370 1.150 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246283017 987679237 /nfs/dbraw/zinc/67/92/37/987679237.db2.gz YDLHFUPTYDIEFY-WISYIIOYSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC001246283017 987679239 /nfs/dbraw/zinc/67/92/39/987679239.db2.gz YDLHFUPTYDIEFY-WISYIIOYSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)O)CCN1 ZINC001246299087 987694985 /nfs/dbraw/zinc/69/49/85/987694985.db2.gz FCBQAJQZLDWGSW-QWRGUYRKSA-N 1 3 214.353 1.268 20 0 BDADHO CCOC(=O)[C@H]1CC[C@H](NCC[C@H](C)[NH3+])C1 ZINC001246304875 987705357 /nfs/dbraw/zinc/70/53/57/987705357.db2.gz MSGQHABWXBBAKE-DCAQKATOSA-N 1 3 228.336 1.045 20 0 BDADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CNC[C@H]1CO ZINC001246309713 987709624 /nfs/dbraw/zinc/70/96/24/987709624.db2.gz SSJRWEWKSUUPNG-GXTWGEPZSA-N 1 3 242.407 1.617 20 0 BDADHO C[C@H]1C[C@H](Nc2ccc(CN)nc2)CC[NH2+]1 ZINC001246327058 987731500 /nfs/dbraw/zinc/73/15/00/987731500.db2.gz RANGECWUIRQMDC-VHSXEESVSA-N 1 3 220.320 1.093 20 0 BDADHO FC1(F)CC2(CC([NH2+]C3CCNCC3)C2)C1 ZINC001246331626 987738227 /nfs/dbraw/zinc/73/82/27/987738227.db2.gz DQFJDQOYHHYBPF-UHFFFAOYSA-N 1 3 230.302 1.906 20 0 BDADHO C[C@H]1CC[C@@H](NCCC2CCC(O)CC2)C[NH2+]1 ZINC001246333253 987741512 /nfs/dbraw/zinc/74/15/12/987741512.db2.gz KGIGFMVYIWKUPS-RJZJGCCBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CC2(c3cnccn3)CC2)CN1 ZINC001246388944 987779811 /nfs/dbraw/zinc/77/98/11/987779811.db2.gz NWWGXYBOVBOKID-NWDGAFQWSA-N 1 3 246.358 1.238 20 0 BDADHO CCCC(CCC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418762 987790620 /nfs/dbraw/zinc/79/06/20/987790620.db2.gz SUOKJDJHGOIVOY-LBPRGKRZSA-N 1 3 243.395 1.528 20 0 BDADHO CC1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246417668 987791819 /nfs/dbraw/zinc/79/18/19/987791819.db2.gz OCZUFYJYFSZWQV-MCIGGMRASA-N 1 3 241.379 1.138 20 0 BDADHO CCC[C@@H](CC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246419374 987793537 /nfs/dbraw/zinc/79/35/37/987793537.db2.gz UOAYJRAMVNCIFE-MNOVXSKESA-N 1 3 229.368 1.138 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC12CNC2 ZINC001246442840 987796094 /nfs/dbraw/zinc/79/60/94/987796094.db2.gz FBEBONDSKPVAJP-MFKMUULPSA-N 1 3 234.318 1.708 20 0 BDADHO Fc1cccc2c1CC[C@H]([NH2+][C@H]1CC13CNC3)C2 ZINC001246442184 987797926 /nfs/dbraw/zinc/79/79/26/987797926.db2.gz CHUIDAKVTGPRFA-FZMZJTMJSA-N 1 3 246.329 1.635 20 0 BDADHO CC1(C)CCC[C@H]([NH2+][C@@H]2CC23CNC3)C1 ZINC001246448483 987806399 /nfs/dbraw/zinc/80/63/99/987806399.db2.gz YUIWRLJOLUWKOQ-WDEREUQCSA-N 1 3 208.349 1.907 20 0 BDADHO Nc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246466142 987825497 /nfs/dbraw/zinc/82/54/97/987825497.db2.gz MQWZLRYFIHSQME-YIONKMFJSA-N 1 3 245.370 1.684 20 0 BDADHO Cn1ncc2c1cccc2C[NH2+][C@@H]1CCCNC1 ZINC001246468988 987829607 /nfs/dbraw/zinc/82/96/07/987829607.db2.gz FLVBZWNOGDKJQO-GFCCVEGCSA-N 1 3 244.342 1.415 20 0 BDADHO CC(C)(C)[C@@H]1C[C@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246525719 987875994 /nfs/dbraw/zinc/87/59/94/987875994.db2.gz KQFJLYIMQIDVML-WYUUTHIRSA-N 1 3 243.370 1.134 20 0 BDADHO CCC[N@H+](CCOC)[C@@H]1CCN[C@H](C)C1 ZINC001246530932 987886564 /nfs/dbraw/zinc/88/65/64/987886564.db2.gz QKQLHFKBUFGZPQ-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO CCC[N@@H+](CCOC)[C@@H]1CCN[C@H](C)C1 ZINC001246530932 987886568 /nfs/dbraw/zinc/88/65/68/987886568.db2.gz QKQLHFKBUFGZPQ-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO CCCN(CCOC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246530932 987886574 /nfs/dbraw/zinc/88/65/74/987886574.db2.gz QKQLHFKBUFGZPQ-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO CC[C@@H]1C[C@H](N2C[C@H](N)[C@@H](F)C2)C[C@H](CC)[NH2+]1 ZINC001246534760 987894791 /nfs/dbraw/zinc/89/47/91/987894791.db2.gz SYSWMJVBUCOKQH-QWQWKMKNSA-N 1 3 243.370 1.277 20 0 BDADHO CCN(CCCC(=O)OC)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246565262 988017322 /nfs/dbraw/zinc/01/73/22/988017322.db2.gz PIKBHVFPWFXTAO-NWDGAFQWSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@H+](CCCC(=O)OC)[C@@H]1CCN[C@@H](C)C1 ZINC001246565262 988017335 /nfs/dbraw/zinc/01/73/35/988017335.db2.gz PIKBHVFPWFXTAO-NWDGAFQWSA-N 1 3 242.363 1.402 20 0 BDADHO CC[N@@H+](CCCC(=O)OC)[C@@H]1CCN[C@@H](C)C1 ZINC001246565262 988017345 /nfs/dbraw/zinc/01/73/45/988017345.db2.gz PIKBHVFPWFXTAO-NWDGAFQWSA-N 1 3 242.363 1.402 20 0 BDADHO CCCC[C@@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582296 988107500 /nfs/dbraw/zinc/10/75/00/988107500.db2.gz WITBRLAOQYTDDT-MELADBBJSA-N 1 3 242.407 1.843 20 0 BDADHO CCCC[C@@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582296 988107529 /nfs/dbraw/zinc/10/75/29/988107529.db2.gz WITBRLAOQYTDDT-MELADBBJSA-N 1 3 242.407 1.843 20 0 BDADHO COC(=O)CC[C@H](C)N1CCCC[C@@H](C[NH3+])C1 ZINC001246581976 988111790 /nfs/dbraw/zinc/11/17/90/988111790.db2.gz LTLJAXORMFMKDI-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@]1(CF)CC[N@@H+](C2CCNCC2)C1 ZINC001246581568 988115717 /nfs/dbraw/zinc/11/57/17/988115717.db2.gz YZADYIUBOUSEOD-NSHDSACASA-N 1 3 200.301 1.420 20 0 BDADHO C[C@@]1(CF)CC[N@H+](C2CCNCC2)C1 ZINC001246581568 988115736 /nfs/dbraw/zinc/11/57/36/988115736.db2.gz YZADYIUBOUSEOD-NSHDSACASA-N 1 3 200.301 1.420 20 0 BDADHO C[C@@]1(CF)CCN(C2CC[NH2+]CC2)C1 ZINC001246581568 988115753 /nfs/dbraw/zinc/11/57/53/988115753.db2.gz YZADYIUBOUSEOD-NSHDSACASA-N 1 3 200.301 1.420 20 0 BDADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583028 988121002 /nfs/dbraw/zinc/12/10/02/988121002.db2.gz IJRSNOVVRGQGIN-RFQIPJPRSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583028 988121011 /nfs/dbraw/zinc/12/10/11/988121011.db2.gz IJRSNOVVRGQGIN-RFQIPJPRSA-N 1 3 242.407 1.699 20 0 BDADHO CN1CC[C@H]([N@@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246583359 988129619 /nfs/dbraw/zinc/12/96/19/988129619.db2.gz JURDXDKFUBVOFZ-QWHCGFSZSA-N 1 3 225.380 1.141 20 0 BDADHO CN1CC[C@H]([N@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246583359 988129631 /nfs/dbraw/zinc/12/96/31/988129631.db2.gz JURDXDKFUBVOFZ-QWHCGFSZSA-N 1 3 225.380 1.141 20 0 BDADHO CSC(C)(C)C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246586417 988146366 /nfs/dbraw/zinc/14/63/66/988146366.db2.gz QFNCUKLFWVLWIJ-GARJFASQSA-N 1 3 246.420 1.158 20 0 BDADHO CSC(C)(C)C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246586417 988146380 /nfs/dbraw/zinc/14/63/80/988146380.db2.gz QFNCUKLFWVLWIJ-GARJFASQSA-N 1 3 246.420 1.158 20 0 BDADHO CCCCC[C@H](CCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587162 988147526 /nfs/dbraw/zinc/14/75/26/988147526.db2.gz VOZCRQFYGMHNEC-IHRRRGAJSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246587162 988147540 /nfs/dbraw/zinc/14/75/40/988147540.db2.gz VOZCRQFYGMHNEC-IHRRRGAJSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@H](Cc1ccco1)N1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589050 988151770 /nfs/dbraw/zinc/15/17/70/988151770.db2.gz QZEGGBTUZSQYGI-WXHSDQCUSA-N 1 3 240.322 1.972 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609698 988224580 /nfs/dbraw/zinc/22/45/80/988224580.db2.gz MSMAHNJHACJBHL-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609698 988224609 /nfs/dbraw/zinc/22/46/09/988224609.db2.gz MSMAHNJHACJBHL-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609698 988224632 /nfs/dbraw/zinc/22/46/32/988224632.db2.gz MSMAHNJHACJBHL-MGPQQGTHSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@H]1CC[C@@H]([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618518 988255251 /nfs/dbraw/zinc/25/52/51/988255251.db2.gz LQLYAAPFAFINLG-CRWXNKLISA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H]1CC[C@@H]([N@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618518 988255259 /nfs/dbraw/zinc/25/52/59/988255259.db2.gz LQLYAAPFAFINLG-CRWXNKLISA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1C[C@H](N2C[C@H](C)N(C)C[C@H]2C)CC[NH2+]1 ZINC001246687614 988433402 /nfs/dbraw/zinc/43/34/02/988433402.db2.gz AWJJZOAAYKLIJU-YVECIDJPSA-N 1 3 225.380 1.151 20 0 BDADHO CCO[C@H]1CCCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246785154 988459108 /nfs/dbraw/zinc/45/91/08/988459108.db2.gz JEZJELOOQDZJHB-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CCO[C@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246785154 988459117 /nfs/dbraw/zinc/45/91/17/988459117.db2.gz JEZJELOOQDZJHB-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CCO[C@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246785154 988459120 /nfs/dbraw/zinc/45/91/20/988459120.db2.gz JEZJELOOQDZJHB-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CCO[C@H]1CCCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246785152 988462522 /nfs/dbraw/zinc/46/25/22/988462522.db2.gz JEZJELOOQDZJHB-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CCO[C@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246785152 988462529 /nfs/dbraw/zinc/46/25/29/988462529.db2.gz JEZJELOOQDZJHB-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CCO[C@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246785152 988462539 /nfs/dbraw/zinc/46/25/39/988462539.db2.gz JEZJELOOQDZJHB-AGIUHOORSA-N 1 3 226.364 1.628 20 0 BDADHO CC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246850913 988561115 /nfs/dbraw/zinc/56/11/15/988561115.db2.gz KCHXQFSJADVJCY-RAIGVLPGSA-N 1 3 224.348 1.428 20 0 BDADHO CC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246850913 988561119 /nfs/dbraw/zinc/56/11/19/988561119.db2.gz KCHXQFSJADVJCY-RAIGVLPGSA-N 1 3 224.348 1.428 20 0 BDADHO [NH3+][C@]12CC[C@@H]1CN([C@@H]1CCc3ncsc3C1)C2 ZINC001246851241 988570740 /nfs/dbraw/zinc/57/07/40/988570740.db2.gz FBWJRAYDEHXMSH-BREBYQMCSA-N 1 3 249.383 1.424 20 0 BDADHO CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001246850915 988572696 /nfs/dbraw/zinc/57/26/96/988572696.db2.gz KCHXQFSJADVJCY-UHTWSYAYSA-N 1 3 224.348 1.428 20 0 BDADHO CC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001246850915 988572706 /nfs/dbraw/zinc/57/27/06/988572706.db2.gz KCHXQFSJADVJCY-UHTWSYAYSA-N 1 3 224.348 1.428 20 0 BDADHO C[N@H+](CCO)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246911663 988695336 /nfs/dbraw/zinc/69/53/36/988695336.db2.gz IHPICQCMAQKWRM-GJZGRUSLSA-N 1 3 248.370 1.274 20 0 BDADHO C[N@@H+](CCO)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246911663 988695339 /nfs/dbraw/zinc/69/53/39/988695339.db2.gz IHPICQCMAQKWRM-GJZGRUSLSA-N 1 3 248.370 1.274 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3[C@H](C2)CCCN3C)CCN1 ZINC001246919849 988723784 /nfs/dbraw/zinc/72/37/84/988723784.db2.gz SCVXOZATYXWRHW-RQJABVFESA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCCN3C)CCN1 ZINC001246919849 988723813 /nfs/dbraw/zinc/72/38/13/988723813.db2.gz SCVXOZATYXWRHW-RQJABVFESA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)CCN1 ZINC001246919851 988730196 /nfs/dbraw/zinc/73/01/96/988730196.db2.gz SCVXOZATYXWRHW-XJFOESAGSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)CCN1 ZINC001246919851 988730226 /nfs/dbraw/zinc/73/02/26/988730226.db2.gz SCVXOZATYXWRHW-XJFOESAGSA-N 1 3 237.391 1.153 20 0 BDADHO C1CN(C2CCC3(CC[NH2+]CC3)CC2)CN1 ZINC001246990740 988823878 /nfs/dbraw/zinc/82/38/78/988823878.db2.gz IURJADDUZNIEJL-UHFFFAOYSA-N 1 3 223.364 1.162 20 0 BDADHO CC[C@@H]1C[C@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246995813 988827796 /nfs/dbraw/zinc/82/77/96/988827796.db2.gz MXPLEOSUALTOKL-UMVBOHGHSA-N 1 3 249.402 1.859 20 0 BDADHO CC(C)(N)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001514530160 988896157 /nfs/dbraw/zinc/89/61/57/988896157.db2.gz MAGZJZRRDUTEGN-UHFFFAOYSA-N 1 3 235.331 1.556 20 0 BDADHO COCCN1[C@H](C)CN(c2cc[nH+]cc2)C[C@@H]1C ZINC001515223362 989006284 /nfs/dbraw/zinc/00/62/84/989006284.db2.gz SUVIFLRLJKAHQA-BETUJISGSA-N 1 3 249.358 1.627 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC001326688531 989653906 /nfs/dbraw/zinc/65/39/06/989653906.db2.gz SOBVYCRYRQUVEM-IJLUTSLNSA-N 1 3 241.379 1.103 20 0 BDADHO CSC[C@H](O)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001120485545 989669506 /nfs/dbraw/zinc/66/95/06/989669506.db2.gz OQVJSJYQYAOVFH-NWDGAFQWSA-N 1 3 246.420 1.030 20 0 BDADHO CSC[C@H](O)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001120485545 989669523 /nfs/dbraw/zinc/66/95/23/989669523.db2.gz OQVJSJYQYAOVFH-NWDGAFQWSA-N 1 3 246.420 1.030 20 0 BDADHO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc2c1CNC2 ZINC001522497047 989857184 /nfs/dbraw/zinc/85/71/84/989857184.db2.gz RJWZXOAIVVCQIR-NSHDSACASA-N 1 3 245.326 1.370 20 0 BDADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)CCCCC[NH3+] ZINC001522823476 989879961 /nfs/dbraw/zinc/87/99/61/989879961.db2.gz BWJJQVPEHQKYKW-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001122143802 990261531 /nfs/dbraw/zinc/26/15/31/990261531.db2.gz QGKVCZWWFTXOPV-QWRGUYRKSA-N 1 3 241.379 1.138 20 0 BDADHO C[N@@H+](Cc1ncccc1[O-])CC1CC[NH+](C)CC1 ZINC001138395047 990933845 /nfs/dbraw/zinc/93/38/45/990933845.db2.gz RGYPQZUTPKGYDN-UHFFFAOYSA-N 1 3 249.358 1.561 20 0 BDADHO C[N@H+](Cc1ncccc1[O-])CC1CC[NH+](C)CC1 ZINC001138395047 990933853 /nfs/dbraw/zinc/93/38/53/990933853.db2.gz RGYPQZUTPKGYDN-UHFFFAOYSA-N 1 3 249.358 1.561 20 0 BDADHO Cc1ccc(CN2CCC3(C[NH+](C)C3)CC2)nc1 ZINC001139842753 991401508 /nfs/dbraw/zinc/40/15/08/991401508.db2.gz ZQZSZGSXCRAJLV-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO C[C@@H](Cc1cccnc1)NC(C)(C)C[NH3+] ZINC001258610324 991530941 /nfs/dbraw/zinc/53/09/41/991530941.db2.gz JXOCPHGLFMBJOB-JTQLQIEISA-N 1 3 207.321 1.340 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1cccnc1 ZINC001258615417 991541809 /nfs/dbraw/zinc/54/18/09/991541809.db2.gz IDHKWBDFMNXZQD-MNOVXSKESA-N 1 3 207.321 1.197 20 0 BDADHO CCCN1CCC([NH2+]CCOC(C)=O)CC1 ZINC001258771018 991729616 /nfs/dbraw/zinc/72/96/16/991729616.db2.gz SRRXDHLTNLBWSM-UHFFFAOYSA-N 1 3 228.336 1.014 20 0 BDADHO CCC[NH+]1CCC(N(C)[C@H]2CCCOC2)CC1 ZINC001258777681 991743106 /nfs/dbraw/zinc/74/31/06/991743106.db2.gz CYAYUTRQMLPCMR-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N[C@@](N)(CC)CO ZINC001258902319 991895143 /nfs/dbraw/zinc/89/51/43/991895143.db2.gz RWRCYUHNPJVTSW-OLZOCXBDSA-N 1 3 245.411 1.144 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)N(C)CC(=O)NC ZINC001258906988 991897047 /nfs/dbraw/zinc/89/70/47/991897047.db2.gz CKFBERQHXUPHQG-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)[C@H]1CC1(F)F ZINC001474757335 992530674 /nfs/dbraw/zinc/53/06/74/992530674.db2.gz UVXAZTYAPGTOLK-RNWYCLNJSA-N 1 3 244.329 1.960 20 0 BDADHO CC(C)(C)[C@H](CN)[NH2+]Cc1cccc(F)c1N ZINC001575109076 992989291 /nfs/dbraw/zinc/98/92/91/992989291.db2.gz VNEXYJCUTPTXAW-NSHDSACASA-N 1 3 239.338 1.871 20 0 BDADHO CC(C)(C)OC(=O)CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001575161149 993002151 /nfs/dbraw/zinc/00/21/51/993002151.db2.gz WINLFMHETPAMLF-VHSXEESVSA-N 1 3 242.363 1.434 20 0 BDADHO CC(C)(C[NH3+])CN[C@@H]1CCCC[C@@H]1F ZINC001575315317 993010235 /nfs/dbraw/zinc/01/02/35/993010235.db2.gz NRMAFZBLUNJXBF-VHSXEESVSA-N 1 3 202.317 1.842 20 0 BDADHO CC(C)CC[C@@H](CO)[NH2+]CC1(CN)CC1 ZINC001575553915 993069191 /nfs/dbraw/zinc/06/91/91/993069191.db2.gz IXIJPSHVYYGSRE-NSHDSACASA-N 1 3 214.353 1.112 20 0 BDADHO C[C@H](Cc1ccno1)[NH2+]CC1(N)CCC1 ZINC001576066395 993170540 /nfs/dbraw/zinc/17/05/40/993170540.db2.gz NUNIJEWZNCJNTR-SECBINFHSA-N 1 3 209.293 1.077 20 0 BDADHO C[C@H](NC1CC2(CC([NH3+])C2)C1)c1cnccn1 ZINC001576239255 993226317 /nfs/dbraw/zinc/22/63/17/993226317.db2.gz LXLAGSXUSPQEPJ-UZJKLBMHSA-N 1 3 232.331 1.397 20 0 BDADHO C[C@](O)(CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(F)F ZINC001576257628 993239147 /nfs/dbraw/zinc/23/91/47/993239147.db2.gz DTCUIFVHDSIEHA-DLOVCJGASA-N 1 3 248.317 1.063 20 0 BDADHO CC(C)N1CCC([NH2+]CC2CN(C)C2)CC1 ZINC000379435978 993243021 /nfs/dbraw/zinc/24/30/21/993243021.db2.gz HFHNHSFMJGUCML-UHFFFAOYSA-N 1 3 225.380 1.010 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CCO ZINC000380171930 993317452 /nfs/dbraw/zinc/31/74/52/993317452.db2.gz HWZKNEFAFSJTHI-VXGBXAGGSA-N 1 3 216.369 1.467 20 0 BDADHO C[C@]1(CNC[C@@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518751 993328747 /nfs/dbraw/zinc/32/87/47/993328747.db2.gz GNTHWBODBGIZIF-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](N)CCC(C)(C)C ZINC001576572452 993351177 /nfs/dbraw/zinc/35/11/77/993351177.db2.gz LOHLKVNSKYKUKV-FRRDWIJNSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](N)CCC(C)(C)C ZINC001576572452 993351179 /nfs/dbraw/zinc/35/11/79/993351179.db2.gz LOHLKVNSKYKUKV-FRRDWIJNSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC001576623730 993372943 /nfs/dbraw/zinc/37/29/43/993372943.db2.gz MNIXROADKXUCFV-WRWGMCAJSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CO1 ZINC001576622341 993373055 /nfs/dbraw/zinc/37/30/55/993373055.db2.gz CRMPVCDHGYMYGZ-WUHRBBMRSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1CC2(CC([NH2+][C@H]3C[C@@H](N)C3)C2)CO1 ZINC001576637873 993382101 /nfs/dbraw/zinc/38/21/01/993382101.db2.gz XCMSAZSOUPAIDV-QZWZXBRZSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H]1CC2(CC(N[C@H]3C[C@@H]([NH3+])C3)C2)CO1 ZINC001576637873 993382102 /nfs/dbraw/zinc/38/21/02/993382102.db2.gz XCMSAZSOUPAIDV-QZWZXBRZSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1CCC[C@@]1(O)C[NH2+]CC1(CN)CCC1 ZINC001576681103 993393037 /nfs/dbraw/zinc/39/30/37/993393037.db2.gz ZXHYBVSMLYLRLT-WCQYABFASA-N 1 3 226.364 1.256 20 0 BDADHO C[C@@H]1CN(C[C@@]2(O)CC[NH2+]C2)CC(C)(C)C1 ZINC001576799782 993424038 /nfs/dbraw/zinc/42/40/38/993424038.db2.gz CNZPXQFCLVDGIT-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN(C)C(C)(C)C ZINC000382151346 993441821 /nfs/dbraw/zinc/44/18/21/993441821.db2.gz RPUHFJODGKFTMF-NSHDSACASA-N 1 3 216.369 1.419 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN(C)C(C)(C)C ZINC000382151345 993442429 /nfs/dbraw/zinc/44/24/29/993442429.db2.gz RPUHFJODGKFTMF-LLVKDONJSA-N 1 3 216.369 1.419 20 0 BDADHO [NH3+][C@@H]1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000382201830 993443175 /nfs/dbraw/zinc/44/31/75/993443175.db2.gz FIHFJJKWHKBEQY-NEPJUHHUSA-N 1 3 212.337 1.369 20 0 BDADHO CC[C@@H](C)C[C@@H](CO)[NH2+]CC1(CN)CC1 ZINC001576972543 993478621 /nfs/dbraw/zinc/47/86/21/993478621.db2.gz WAVPFNSPJUDPLW-MNOVXSKESA-N 1 3 214.353 1.112 20 0 BDADHO CCC(CC)(CC(=O)OC)NC[C@@H](C)[NH3+] ZINC001577049700 993489398 /nfs/dbraw/zinc/48/93/98/993489398.db2.gz AIJCKBOPAXKDGJ-SECBINFHSA-N 1 3 216.325 1.045 20 0 BDADHO CCC(CC)(CO)CNC[C@@H]([NH3+])CC(F)F ZINC001577059864 993492935 /nfs/dbraw/zinc/49/29/35/993492935.db2.gz HIIYAVPJPJGEBQ-VIFPVBQESA-N 1 3 238.322 1.357 20 0 BDADHO CC[C@H](Cc1ccccc1)NC[C@@]1(O)CC[NH2+]C1 ZINC001577096508 993500652 /nfs/dbraw/zinc/50/06/52/993500652.db2.gz PDYIBXPTLVVEKW-HUUCEWRRSA-N 1 3 248.370 1.322 20 0 BDADHO CC[C@@H](C[NH2+]C[C@H](CN)C(C)C)C(=O)OC ZINC001577091240 993503962 /nfs/dbraw/zinc/50/39/62/993503962.db2.gz ZHUSXJVOKICKHF-QWRGUYRKSA-N 1 3 230.352 1.006 20 0 BDADHO CC[C@H](NC[C@@H]([NH3+])CCOC)[C@H]1CCCCO1 ZINC001577176219 993531272 /nfs/dbraw/zinc/53/12/72/993531272.db2.gz WGFWGMXWRYPSHV-RWMBFGLXSA-N 1 3 244.379 1.288 20 0 BDADHO CC[C@@H]1CCN([C@@H]2C[NH2+]CC[C@]2(C)O)[C@@H]1C ZINC001577262967 993573336 /nfs/dbraw/zinc/57/33/36/993573336.db2.gz NHFJWVRDXVHQLP-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO CC[C@H]1CN(Cc2cc[nH]c(=O)c2)CC[C@H]1[NH3+] ZINC001577279779 993579658 /nfs/dbraw/zinc/57/96/58/993579658.db2.gz PYLQONCPZVKXFC-NWDGAFQWSA-N 1 3 235.331 1.346 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)CN(C)C1CCC1 ZINC001577390796 993637055 /nfs/dbraw/zinc/63/70/55/993637055.db2.gz XIOSOYCAZNHEMU-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CNC ZINC001577418847 993658562 /nfs/dbraw/zinc/65/85/62/993658562.db2.gz FKLMDUSWWCVSBW-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CNC ZINC001577418845 993659586 /nfs/dbraw/zinc/65/95/86/993659586.db2.gz FKLMDUSWWCVSBW-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO CCCn1cncc1CNCC1=CC[NH2+]CC1 ZINC001577624591 993699652 /nfs/dbraw/zinc/69/96/52/993699652.db2.gz BQKDMLWGJGCCPY-UHFFFAOYSA-N 1 3 234.347 1.302 20 0 BDADHO CCOC(C)(C)CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000702665523 994031322 /nfs/dbraw/zinc/03/13/22/994031322.db2.gz YRGAJGOXYZUFFC-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C1C[C@H]2C[C@@H]([NH2+][C@@H]3CCCOCC3)CCN2C1 ZINC000157465147 136213806 /nfs/dbraw/zinc/21/38/06/136213806.db2.gz KVJXTTURKVJTNR-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO COC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000422939740 398158338 /nfs/dbraw/zinc/15/83/38/398158338.db2.gz RNRJZSUDMKAEQG-RTXFEEFZSA-N 1 3 226.364 1.389 20 0 BDADHO COC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C1CC1 ZINC000422939740 398158341 /nfs/dbraw/zinc/15/83/41/398158341.db2.gz RNRJZSUDMKAEQG-RTXFEEFZSA-N 1 3 226.364 1.389 20 0 BDADHO C[N@H+](C[C@H](O)CN[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915690 398174468 /nfs/dbraw/zinc/17/44/68/398174468.db2.gz OFTGJVNKGUCUIH-MWLCHTKSSA-N 1 3 248.317 1.219 20 0 BDADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915690 398174471 /nfs/dbraw/zinc/17/44/71/398174471.db2.gz OFTGJVNKGUCUIH-MWLCHTKSSA-N 1 3 248.317 1.219 20 0 BDADHO C[N@H+](C[C@@H](O)CN[C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915691 398174736 /nfs/dbraw/zinc/17/47/36/398174736.db2.gz OFTGJVNKGUCUIH-ONGXEEELSA-N 1 3 248.317 1.219 20 0 BDADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCC(F)(F)C1)C1CC1 ZINC000379915691 398174741 /nfs/dbraw/zinc/17/47/41/398174741.db2.gz OFTGJVNKGUCUIH-ONGXEEELSA-N 1 3 248.317 1.219 20 0 BDADHO CC(C)CC[C@](C)(O)CN[C@@H](C)C1C[NH2+]C1 ZINC000422977041 398160973 /nfs/dbraw/zinc/16/09/73/398160973.db2.gz JHJBSSPRLJYKCN-AAEUAGOBSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)C1CNC1 ZINC000422977041 398160975 /nfs/dbraw/zinc/16/09/75/398160975.db2.gz JHJBSSPRLJYKCN-AAEUAGOBSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H](CCCc1cccnc1)[NH2+]CCCN ZINC000415117901 398163256 /nfs/dbraw/zinc/16/32/56/398163256.db2.gz XLIRUTZASRACCS-GFCCVEGCSA-N 1 3 221.348 1.731 20 0 BDADHO C[C@@H]1OCCN(CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380588365 398201422 /nfs/dbraw/zinc/20/14/22/398201422.db2.gz SCBNHUFZRDZPPM-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cc(N2CC[C@H](N3CC=CC3)C2)cc[nH+]1 ZINC000274898549 178119525 /nfs/dbraw/zinc/11/95/25/178119525.db2.gz KRCOKSBRCRXYHQ-AWEZNQCLSA-N 1 3 229.327 1.841 20 0 BDADHO Cc1cc(C)n(CCN[C@H](C[NH3+])C(C)(C)C)n1 ZINC000649419993 398218417 /nfs/dbraw/zinc/21/84/17/398218417.db2.gz LPGFGJKVGUZERI-GFCCVEGCSA-N 1 3 238.379 1.463 20 0 BDADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CCCC(C)(C)C1 ZINC000576368570 365580021 /nfs/dbraw/zinc/58/00/21/365580021.db2.gz AZUFOLSIVXYRQC-VXGBXAGGSA-N 1 3 228.380 1.454 20 0 BDADHO Cc1c[nH]nc1CNC1CCC([NH+](C)C)CC1 ZINC000421366092 192333690 /nfs/dbraw/zinc/33/36/90/192333690.db2.gz COCSJZZZBUUEHT-UHFFFAOYSA-N 1 3 236.363 1.681 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCOC2)c2ccccc21 ZINC000252792394 136227087 /nfs/dbraw/zinc/22/70/87/136227087.db2.gz VLIBFBLATPZYFO-LERXQTSPSA-N 1 3 232.327 1.757 20 0 BDADHO CO[C@@H](C)CN(C[C@H]1CC[NH2+]C1)C(C)C ZINC000390818952 398250787 /nfs/dbraw/zinc/25/07/87/398250787.db2.gz RZJKQILOYBMZDU-RYUDHWBXSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000381543974 398262415 /nfs/dbraw/zinc/26/24/15/398262415.db2.gz JIIGLTRAFJCVOM-UPJWGTAASA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000381543974 398262417 /nfs/dbraw/zinc/26/24/17/398262417.db2.gz JIIGLTRAFJCVOM-UPJWGTAASA-N 1 3 208.349 1.718 20 0 BDADHO COCC[NH2+]C1CCN(C[C@H]2C[C@H]2C)CC1 ZINC000565060451 323009365 /nfs/dbraw/zinc/00/93/65/323009365.db2.gz JHQKIPMFVMBBNH-VXGBXAGGSA-N 1 3 226.364 1.343 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000180507187 538958391 /nfs/dbraw/zinc/95/83/91/538958391.db2.gz WKVWVXQYNXWTRY-ZYHUDNBSSA-N 1 3 236.363 1.711 20 0 BDADHO CCN(CC)C[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000045689904 538993166 /nfs/dbraw/zinc/99/31/66/538993166.db2.gz WWRHVNPHLJYRGK-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCCO1 ZINC000390310888 539020733 /nfs/dbraw/zinc/02/07/33/539020733.db2.gz FWKQWDOFEUJTMM-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO Cc1n[nH]cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335632692 136241420 /nfs/dbraw/zinc/24/14/20/136241420.db2.gz IONBJLKQMMHLOA-CHWSQXEVSA-N 1 3 248.374 1.540 20 0 BDADHO Cn1nccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335634218 136241685 /nfs/dbraw/zinc/24/16/85/136241685.db2.gz NSQXKOAFABTUCH-STQMWFEESA-N 1 3 248.374 1.242 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000300408857 529417070 /nfs/dbraw/zinc/41/70/70/529417070.db2.gz CRJKPTLMDMLVAO-UTUOFQBUSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000300408857 529417071 /nfs/dbraw/zinc/41/70/71/529417071.db2.gz CRJKPTLMDMLVAO-UTUOFQBUSA-N 1 3 243.395 1.206 20 0 BDADHO CN1CCN(CC[NH2+]CC2(F)CC2)CC1(C)C ZINC000562457037 323020586 /nfs/dbraw/zinc/02/05/86/323020586.db2.gz TUDJLUHUUIMGKX-UHFFFAOYSA-N 1 3 243.370 1.104 20 0 BDADHO CCOC[C@@H]1CCCCN1CCC[NH3+] ZINC000313231856 259331578 /nfs/dbraw/zinc/33/15/78/259331578.db2.gz NYGKGTSKSYROTR-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO C[C@H](C(=O)NCC(C)(C)[NH3+])N1CCCCCC1 ZINC000237391371 398333857 /nfs/dbraw/zinc/33/38/57/398333857.db2.gz HPDFLLXBQNOWRC-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C(C1CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916575 398335250 /nfs/dbraw/zinc/33/52/50/398335250.db2.gz UEOSLVOQZQCYDK-CHWSQXEVSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1CCOCC[N@@H+]1CCCN1CCCCC1 ZINC000162449074 349710338 /nfs/dbraw/zinc/71/03/38/349710338.db2.gz KHFURNXUZYBHTJ-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1CCOCC[N@H+]1CCCN1CCCCC1 ZINC000162449074 349710342 /nfs/dbraw/zinc/71/03/42/349710342.db2.gz KHFURNXUZYBHTJ-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H](C(=O)NCCCC[NH3+])[C@H](N)c1ccccc1 ZINC000131715189 343184538 /nfs/dbraw/zinc/18/45/38/343184538.db2.gz WMJUDLLDUDTSIH-YPMHNXCESA-N 1 3 249.358 1.178 20 0 BDADHO C[NH2+]CCCN(C)C1Cc2ccccc2C1 ZINC000087472158 136281493 /nfs/dbraw/zinc/28/14/93/136281493.db2.gz AJQGJKVKQAACBH-UHFFFAOYSA-N 1 3 218.344 1.695 20 0 BDADHO CCCN(CCCF)C1CC[NH2+]CC1 ZINC000088026314 136283922 /nfs/dbraw/zinc/28/39/22/136283922.db2.gz ULJFEWONYIJGOO-UHFFFAOYSA-N 1 3 202.317 1.810 20 0 BDADHO CN(C)Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000037042476 343331719 /nfs/dbraw/zinc/33/17/19/343331719.db2.gz VVKQVJFXUNTBFV-CYBMUJFWSA-N 1 3 247.342 1.439 20 0 BDADHO CN(C)[C@H](CNC(=O)CCC[NH3+])c1ccccc1 ZINC000040802223 343409538 /nfs/dbraw/zinc/40/95/38/343409538.db2.gz ADRJTABRPLGTCE-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167125800 136368132 /nfs/dbraw/zinc/36/81/32/136368132.db2.gz SIUSUDKEISOSDJ-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000167125800 136368133 /nfs/dbraw/zinc/36/81/33/136368133.db2.gz SIUSUDKEISOSDJ-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO CCOCCCN1CCC[C@@H](C[NH2+]C)C1 ZINC000083551672 343490098 /nfs/dbraw/zinc/49/00/98/343490098.db2.gz OQNOJFUZVYHXNA-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[NH3+])C12CCCC2 ZINC000082945697 343472882 /nfs/dbraw/zinc/47/28/82/343472882.db2.gz QKUBZEFABWBVEL-GHMZBOCLSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H](CO[C@@H]1CCOC1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000580580366 365790568 /nfs/dbraw/zinc/79/05/68/365790568.db2.gz AQHIBLMTDOKWFL-FVCCEPFGSA-N 1 3 242.363 1.040 20 0 BDADHO COCC1(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000309064540 349829813 /nfs/dbraw/zinc/82/98/13/349829813.db2.gz YOJJJLQBFCOQFU-WDEREUQCSA-N 1 3 212.337 1.238 20 0 BDADHO COCC1(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000309064540 349829815 /nfs/dbraw/zinc/82/98/15/349829815.db2.gz YOJJJLQBFCOQFU-WDEREUQCSA-N 1 3 212.337 1.238 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262753970 349863173 /nfs/dbraw/zinc/86/31/73/349863173.db2.gz OEAUQWQCVKNWER-NWDGAFQWSA-N 1 3 241.379 1.055 20 0 BDADHO FC[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000218546920 343793169 /nfs/dbraw/zinc/79/31/69/343793169.db2.gz LDLNCQATVFWQEP-SNVBAGLBSA-N 1 3 200.301 1.420 20 0 BDADHO FC[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000218546920 343793170 /nfs/dbraw/zinc/79/31/70/343793170.db2.gz LDLNCQATVFWQEP-SNVBAGLBSA-N 1 3 200.301 1.420 20 0 BDADHO FC[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000218546920 343793171 /nfs/dbraw/zinc/79/31/71/343793171.db2.gz LDLNCQATVFWQEP-SNVBAGLBSA-N 1 3 200.301 1.420 20 0 BDADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CCOCCN(C)C ZINC000336662374 537818461 /nfs/dbraw/zinc/81/84/61/537818461.db2.gz KFYYPKHPFZBGOF-QWHCGFSZSA-N 1 3 228.380 1.589 20 0 BDADHO CCn1cc(CCN2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000621775571 343899969 /nfs/dbraw/zinc/89/99/69/343899969.db2.gz SAPPDESVNQCIMK-WCQYABFASA-N 1 3 236.363 1.115 20 0 BDADHO COCC[C@H](C)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782928 343904616 /nfs/dbraw/zinc/90/46/16/343904616.db2.gz UZMFPIIKNPWEJW-SDDRHHMPSA-N 1 3 212.337 1.225 20 0 BDADHO COCC[C@H](C)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782930 343904766 /nfs/dbraw/zinc/90/47/66/343904766.db2.gz UZMFPIIKNPWEJW-TUAOUCFPSA-N 1 3 212.337 1.225 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000129073090 343961991 /nfs/dbraw/zinc/96/19/91/343961991.db2.gz NNLQILMQVBJGQR-SNVBAGLBSA-N 1 3 221.304 1.082 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)N(C)C1CC1 ZINC000130943962 344225559 /nfs/dbraw/zinc/22/55/59/344225559.db2.gz ZGMDOTDAWXQROL-BZPMIXESSA-N 1 3 239.407 1.399 20 0 BDADHO CC[NH+]1CCC(NCCOC(C)C)CC1 ZINC000132729722 344307316 /nfs/dbraw/zinc/30/73/16/344307316.db2.gz VQBAHEDNKSWFSR-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)CCO1 ZINC000388726919 347068078 /nfs/dbraw/zinc/06/80/78/347068078.db2.gz OHTGEHGETCIJNB-AAVRWANBSA-N 1 3 240.391 1.909 20 0 BDADHO CN(CCN[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000583391711 344877711 /nfs/dbraw/zinc/87/77/11/344877711.db2.gz DLCODUPQGSQOCF-ZIAGYGMSSA-N 1 3 247.386 1.982 20 0 BDADHO CC[NH+](CC)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000155117487 345068219 /nfs/dbraw/zinc/06/82/19/345068219.db2.gz AFXJRNSVGJQFCS-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CC[C@H](CCO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156154923 345133271 /nfs/dbraw/zinc/13/32/71/345133271.db2.gz ZCPWBDBCAZWYII-MGPQQGTHSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156154923 345133274 /nfs/dbraw/zinc/13/32/74/345133274.db2.gz ZCPWBDBCAZWYII-MGPQQGTHSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156154923 345133277 /nfs/dbraw/zinc/13/32/77/345133277.db2.gz ZCPWBDBCAZWYII-MGPQQGTHSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@]1(CN[C@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997175 345194502 /nfs/dbraw/zinc/19/45/02/345194502.db2.gz FGCAIXLPXLDGTI-RYUDHWBXSA-N 1 3 208.349 1.908 20 0 BDADHO C[C@@]1(CN[C@@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997176 345194775 /nfs/dbraw/zinc/19/47/75/345194775.db2.gz FGCAIXLPXLDGTI-VXGBXAGGSA-N 1 3 208.349 1.908 20 0 BDADHO C[C@@]1(CN[C@H]2CCCC23CC3)CC[NH2+]C1 ZINC000634997174 345194779 /nfs/dbraw/zinc/19/47/79/345194779.db2.gz FGCAIXLPXLDGTI-NWDGAFQWSA-N 1 3 208.349 1.908 20 0 BDADHO C[C@H]1C[C@@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004338 345207665 /nfs/dbraw/zinc/20/76/65/345207665.db2.gz HZZJJZWDVMGKDU-ZDEQEGDKSA-N 1 3 248.374 1.996 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000635004904 345208290 /nfs/dbraw/zinc/20/82/90/345208290.db2.gz RECMRUVKUHHTKI-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000635004902 345208314 /nfs/dbraw/zinc/20/83/14/345208314.db2.gz RECMRUVKUHHTKI-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635010421 345212607 /nfs/dbraw/zinc/21/26/07/345212607.db2.gz ZXIGGBAUOITVPX-QEJZJMRPSA-N 1 3 248.370 1.714 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635010421 345212609 /nfs/dbraw/zinc/21/26/09/345212609.db2.gz ZXIGGBAUOITVPX-QEJZJMRPSA-N 1 3 248.370 1.714 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]1C(F)(F)F ZINC000635010786 345212714 /nfs/dbraw/zinc/21/27/14/345212714.db2.gz BEFRGAMIYPRDBO-UYXSQOIJSA-N 1 3 222.254 1.654 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2c1CCOC2 ZINC000635014205 345219134 /nfs/dbraw/zinc/21/91/34/345219134.db2.gz ZBVJFMAKRVCPKK-NWDGAFQWSA-N 1 3 248.370 1.975 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2c1CCOC2 ZINC000635014207 345219464 /nfs/dbraw/zinc/21/94/64/345219464.db2.gz ZBVJFMAKRVCPKK-VXGBXAGGSA-N 1 3 248.370 1.975 20 0 BDADHO CCN1CCC([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)CC1 ZINC000335349293 345288376 /nfs/dbraw/zinc/28/83/76/345288376.db2.gz QKVCDVPDHSAIHQ-TZMCWYRMSA-N 1 3 239.407 1.387 20 0 BDADHO CCN1CCC([N@H+]2C[C@@H](C)[C@](C)(CN)C2)CC1 ZINC000335349293 345288380 /nfs/dbraw/zinc/28/83/80/345288380.db2.gz QKVCDVPDHSAIHQ-TZMCWYRMSA-N 1 3 239.407 1.387 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000169070116 345426872 /nfs/dbraw/zinc/42/68/72/345426872.db2.gz KJTKHHLAGNVZHT-UTLUCORTSA-N 1 3 202.367 1.597 20 0 BDADHO CS[C@H](C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000169070116 345426873 /nfs/dbraw/zinc/42/68/73/345426873.db2.gz KJTKHHLAGNVZHT-UTLUCORTSA-N 1 3 202.367 1.597 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000300368484 346432648 /nfs/dbraw/zinc/43/26/48/346432648.db2.gz RDHFROIBRZUQTD-JHJVBQTASA-N 1 3 226.364 1.805 20 0 BDADHO Cn1cncc1CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000641798968 362746730 /nfs/dbraw/zinc/74/67/30/362746730.db2.gz RTWNPMNIGWMLHC-YUTCNCBUSA-N 1 3 248.374 1.022 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013724 349970785 /nfs/dbraw/zinc/97/07/85/349970785.db2.gz FLHPXKHEBATCSN-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCCOC2)C1 ZINC000070013724 349970789 /nfs/dbraw/zinc/97/07/89/349970789.db2.gz FLHPXKHEBATCSN-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCCOC2)C1 ZINC000070013724 349970791 /nfs/dbraw/zinc/97/07/91/349970791.db2.gz FLHPXKHEBATCSN-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300399079 346613516 /nfs/dbraw/zinc/61/35/16/346613516.db2.gz YWENNPNZTZGLSX-SRVKXCTJSA-N 1 3 214.353 1.255 20 0 BDADHO C[N@H+](C[C@H](O)CN[C@H]1C=CCCC1)C1CC1 ZINC000562991449 346718490 /nfs/dbraw/zinc/71/84/90/346718490.db2.gz OSBCUJZMHGJAFR-WCQYABFASA-N 1 3 224.348 1.140 20 0 BDADHO C[N@@H+](C[C@H](O)CN[C@H]1C=CCCC1)C1CC1 ZINC000562991449 346718493 /nfs/dbraw/zinc/71/84/93/346718493.db2.gz OSBCUJZMHGJAFR-WCQYABFASA-N 1 3 224.348 1.140 20 0 BDADHO COc1ccc(CCCN(C)CCC[NH3+])cc1 ZINC000382051309 347110608 /nfs/dbraw/zinc/11/06/08/347110608.db2.gz BLLCFOWMPAPHAH-UHFFFAOYSA-N 1 3 236.359 1.908 20 0 BDADHO COc1ccc(CCC[N@H+](C)CCCN)cc1 ZINC000382051309 347110610 /nfs/dbraw/zinc/11/06/10/347110610.db2.gz BLLCFOWMPAPHAH-UHFFFAOYSA-N 1 3 236.359 1.908 20 0 BDADHO COc1ccc(CCC[N@@H+](C)CCCN)cc1 ZINC000382051309 347110612 /nfs/dbraw/zinc/11/06/12/347110612.db2.gz BLLCFOWMPAPHAH-UHFFFAOYSA-N 1 3 236.359 1.908 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000641823552 362773250 /nfs/dbraw/zinc/77/32/50/362773250.db2.gz RPJPDGFANLKUKW-GFCCVEGCSA-N 1 3 236.363 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCCCC[C@@H](N)C1 ZINC000641823552 362773258 /nfs/dbraw/zinc/77/32/58/362773258.db2.gz RPJPDGFANLKUKW-GFCCVEGCSA-N 1 3 236.363 1.166 20 0 BDADHO CCN1CCC([NH2+][C@@H](C)CN(C)C(C)C)CC1 ZINC000310073757 347226371 /nfs/dbraw/zinc/22/63/71/347226371.db2.gz AIWUQYHLNQOLQS-ZDUSSCGKSA-N 1 3 241.423 1.789 20 0 BDADHO CCOCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000388383156 347376138 /nfs/dbraw/zinc/37/61/38/347376138.db2.gz VBDOMIMWZLQKFZ-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO CCOCCCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000388383158 347376324 /nfs/dbraw/zinc/37/63/24/347376324.db2.gz VBDOMIMWZLQKFZ-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO CCOC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000593729072 347937999 /nfs/dbraw/zinc/93/79/99/347937999.db2.gz FFQDETIWYQRYGR-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000593729072 347938001 /nfs/dbraw/zinc/93/80/01/347938001.db2.gz FFQDETIWYQRYGR-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCn1cc(CN(C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000577377715 365939104 /nfs/dbraw/zinc/93/91/04/365939104.db2.gz XMWORMKFBJQXKY-GFCCVEGCSA-N 1 3 236.363 1.334 20 0 BDADHO CC(C)OC(=O)C[C@@H]([NH2+]CCCN)C(C)C ZINC000594583229 348077113 /nfs/dbraw/zinc/07/71/13/348077113.db2.gz DFMXHAAESSIXKR-LLVKDONJSA-N 1 3 230.352 1.291 20 0 BDADHO CC(C)OC(=O)C[C@@H](NCCC[NH3+])C(C)C ZINC000594583229 348077114 /nfs/dbraw/zinc/07/71/14/348077114.db2.gz DFMXHAAESSIXKR-LLVKDONJSA-N 1 3 230.352 1.291 20 0 BDADHO C[C@H](C[NH2+][C@H](C)CSCCF)CN(C)C ZINC000595037765 348176355 /nfs/dbraw/zinc/17/63/55/348176355.db2.gz IAGLLJGKQGYGDH-GHMZBOCLSA-N 1 3 236.400 1.865 20 0 BDADHO C[C@H](CN[C@H](C)CSCCF)C[NH+](C)C ZINC000595037765 348176358 /nfs/dbraw/zinc/17/63/58/348176358.db2.gz IAGLLJGKQGYGDH-GHMZBOCLSA-N 1 3 236.400 1.865 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000251337834 362863634 /nfs/dbraw/zinc/86/36/34/362863634.db2.gz PTPCHCLMAWZAIG-ZJUUUORDSA-N 1 3 200.351 1.305 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@H]2CCCSC2)C1 ZINC000251337834 362863635 /nfs/dbraw/zinc/86/36/35/362863635.db2.gz PTPCHCLMAWZAIG-ZJUUUORDSA-N 1 3 200.351 1.305 20 0 BDADHO CC(C)=CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000397742548 362904051 /nfs/dbraw/zinc/90/40/51/362904051.db2.gz ZOVPLZZRXOSBRQ-ZDUSSCGKSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503781 362927300 /nfs/dbraw/zinc/92/73/00/362927300.db2.gz NRVFHLGCOVXZSB-MNOVXSKESA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503781 362927301 /nfs/dbraw/zinc/92/73/01/362927301.db2.gz NRVFHLGCOVXZSB-MNOVXSKESA-N 1 3 214.353 1.484 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCCCCC1 ZINC000070317343 349993559 /nfs/dbraw/zinc/99/35/59/349993559.db2.gz QJWWPVIVAFODDX-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000070359418 349995724 /nfs/dbraw/zinc/99/57/24/349995724.db2.gz NDHWLXADEJOHJQ-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@H]1CN(C)CCN1CCC[NH+](CC)CC ZINC000518706636 538016369 /nfs/dbraw/zinc/01/63/69/538016369.db2.gz QTGPYOQACSCBLX-AWEZNQCLSA-N 1 3 241.423 1.744 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])C2CC2)C1(C)C ZINC000399324356 323203880 /nfs/dbraw/zinc/20/38/80/323203880.db2.gz KGCOAZJIAFEUGD-QJPTWQEYSA-N 1 3 226.364 1.517 20 0 BDADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)N)[C@@H]1C ZINC000598736044 349035688 /nfs/dbraw/zinc/03/56/88/349035688.db2.gz XEAXPEJAXKXSKK-WHOHXGKFSA-N 1 3 242.363 1.291 20 0 BDADHO C[C@H](CC1CCC1)[NH2+]CCOCCN(C)C ZINC000219322543 490223441 /nfs/dbraw/zinc/22/34/41/490223441.db2.gz GDGAGQIORXJCPH-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[NH2+]C[C@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000250779838 349179283 /nfs/dbraw/zinc/17/92/83/349179283.db2.gz XJBOOIHAQVDJFM-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)CO[C@H]1C[C@H]([NH2+]CCCN)C1(C)C ZINC000082923084 349214810 /nfs/dbraw/zinc/21/48/10/349214810.db2.gz PFOQUZRKFXBZOO-RYUDHWBXSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CO[C@H]1C[C@H](NCCC[NH3+])C1(C)C ZINC000082923084 349214813 /nfs/dbraw/zinc/21/48/13/349214813.db2.gz PFOQUZRKFXBZOO-RYUDHWBXSA-N 1 3 228.380 1.765 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC(C)(C)C1 ZINC000309020167 349305509 /nfs/dbraw/zinc/30/55/09/349305509.db2.gz UCIBYDMBKMJMBO-LLVKDONJSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(C)(C)C1 ZINC000309020167 349305511 /nfs/dbraw/zinc/30/55/11/349305511.db2.gz UCIBYDMBKMJMBO-LLVKDONJSA-N 1 3 214.353 1.031 20 0 BDADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403021 323224714 /nfs/dbraw/zinc/22/47/14/323224714.db2.gz HQHWJNINLQXSGT-CYBMUJFWSA-N 1 3 240.391 1.562 20 0 BDADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C1CC(C)(C)C1 ZINC000395403021 323224717 /nfs/dbraw/zinc/22/47/17/323224717.db2.gz HQHWJNINLQXSGT-CYBMUJFWSA-N 1 3 240.391 1.562 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000131403993 191011760 /nfs/dbraw/zinc/01/17/60/191011760.db2.gz FOSBCYOIAIXDRD-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000302378307 350083321 /nfs/dbraw/zinc/08/33/21/350083321.db2.gz SOHGIIYXDXBFGE-XQQFMLRXSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000302378307 350083325 /nfs/dbraw/zinc/08/33/25/350083325.db2.gz SOHGIIYXDXBFGE-XQQFMLRXSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCN(C)C)CN1C1CC1 ZINC000132005419 191022128 /nfs/dbraw/zinc/02/21/28/191022128.db2.gz JKVYEHQRRVTDML-RYUDHWBXSA-N 1 3 225.380 1.153 20 0 BDADHO C[NH2+]CCCNC(=O)[C@H](N)CC1CCCCC1 ZINC000422734222 192447582 /nfs/dbraw/zinc/44/75/82/192447582.db2.gz SLEINZCULAHMRJ-GFCCVEGCSA-N 1 3 241.379 1.010 20 0 BDADHO C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CCOC1 ZINC000334278667 538063810 /nfs/dbraw/zinc/06/38/10/538063810.db2.gz POMUBUSWROSZCU-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CCOC1 ZINC000334278667 538063817 /nfs/dbraw/zinc/06/38/17/538063817.db2.gz POMUBUSWROSZCU-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](C)[C@H](C)C1 ZINC000309210528 350192505 /nfs/dbraw/zinc/19/25/05/350192505.db2.gz DLCRYDDHGKTZIW-XQQFMLRXSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)[C@H](C)C1 ZINC000309210528 350192509 /nfs/dbraw/zinc/19/25/09/350192509.db2.gz DLCRYDDHGKTZIW-XQQFMLRXSA-N 1 3 228.380 1.277 20 0 BDADHO c1csc(CC[NH2+]C2CCNCC2)c1 ZINC000038040584 350302582 /nfs/dbraw/zinc/30/25/82/350302582.db2.gz GLBXFTNDAFZXEQ-UHFFFAOYSA-N 1 3 210.346 1.632 20 0 BDADHO c1csc(CCNC2CC[NH2+]CC2)c1 ZINC000038040584 350302586 /nfs/dbraw/zinc/30/25/86/350302586.db2.gz GLBXFTNDAFZXEQ-UHFFFAOYSA-N 1 3 210.346 1.632 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328174741 350375340 /nfs/dbraw/zinc/37/53/40/350375340.db2.gz KYHARASYVSUEKO-RWMBFGLXSA-N 1 3 226.364 1.208 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328174741 350375344 /nfs/dbraw/zinc/37/53/44/350375344.db2.gz KYHARASYVSUEKO-RWMBFGLXSA-N 1 3 226.364 1.208 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCCC[C@H]2O)C1 ZINC000328174741 350375346 /nfs/dbraw/zinc/37/53/46/350375346.db2.gz KYHARASYVSUEKO-RWMBFGLXSA-N 1 3 226.364 1.208 20 0 BDADHO C[N@@H+]1CC[C@@H](NCC2=CCOCC2)CC1(C)C ZINC000623537309 362955913 /nfs/dbraw/zinc/95/59/13/362955913.db2.gz TWXLEKMEQDKCNN-CYBMUJFWSA-N 1 3 238.375 1.796 20 0 BDADHO C[N@H+]1CC[C@@H](NCC2=CCOCC2)CC1(C)C ZINC000623537309 362955917 /nfs/dbraw/zinc/95/59/17/362955917.db2.gz TWXLEKMEQDKCNN-CYBMUJFWSA-N 1 3 238.375 1.796 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271900535 180378496 /nfs/dbraw/zinc/37/84/96/180378496.db2.gz VMGQEJRSSSPYIZ-LLVKDONJSA-N 1 3 248.374 1.641 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271900535 180378497 /nfs/dbraw/zinc/37/84/97/180378497.db2.gz VMGQEJRSSSPYIZ-LLVKDONJSA-N 1 3 248.374 1.641 20 0 BDADHO Cc1nn(C)cc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000271900536 180381459 /nfs/dbraw/zinc/38/14/59/180381459.db2.gz VMGQEJRSSSPYIZ-NSHDSACASA-N 1 3 248.374 1.641 20 0 BDADHO Cc1nn(C)cc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000271900536 180381464 /nfs/dbraw/zinc/38/14/64/180381464.db2.gz VMGQEJRSSSPYIZ-NSHDSACASA-N 1 3 248.374 1.641 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000384745663 350501950 /nfs/dbraw/zinc/50/19/50/350501950.db2.gz LZXXYXASPGNHHV-ZIQFBCGOSA-N 1 3 212.337 1.140 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C)[C@H](C)O1 ZINC000384745663 350501953 /nfs/dbraw/zinc/50/19/53/350501953.db2.gz LZXXYXASPGNHHV-ZIQFBCGOSA-N 1 3 212.337 1.140 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)CO1 ZINC000623558884 362980872 /nfs/dbraw/zinc/98/08/72/362980872.db2.gz MDFHKLQHUSSYIB-GRYCIOLGSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)CO1 ZINC000623558884 362980876 /nfs/dbraw/zinc/98/08/76/362980876.db2.gz MDFHKLQHUSSYIB-GRYCIOLGSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CCCCCF)C1 ZINC000336681948 350905803 /nfs/dbraw/zinc/90/58/03/350905803.db2.gz HUPLCGRLVFLPMU-NSHDSACASA-N 1 3 202.317 1.797 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CCCCCF)C1 ZINC000336681948 350905806 /nfs/dbraw/zinc/90/58/06/350905806.db2.gz HUPLCGRLVFLPMU-NSHDSACASA-N 1 3 202.317 1.797 20 0 BDADHO C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CCSC1 ZINC000335271790 191127935 /nfs/dbraw/zinc/12/79/35/191127935.db2.gz VHJGGEMHLHSJPR-QWRGUYRKSA-N 1 3 214.378 1.471 20 0 BDADHO COC1(C[N@@H+]2CCC[C@H](N)C2)CCCC1 ZINC000379945238 351295295 /nfs/dbraw/zinc/29/52/95/351295295.db2.gz QJHQSKAFHGXSMV-NSHDSACASA-N 1 3 212.337 1.369 20 0 BDADHO COC1(C[N@H+]2CCC[C@H](N)C2)CCCC1 ZINC000379945238 351295297 /nfs/dbraw/zinc/29/52/97/351295297.db2.gz QJHQSKAFHGXSMV-NSHDSACASA-N 1 3 212.337 1.369 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@@H](O)C2CC2)CC1 ZINC000070879966 535162428 /nfs/dbraw/zinc/16/24/28/535162428.db2.gz AONVDBMDFYFMOX-CYBMUJFWSA-N 1 3 226.364 1.220 20 0 BDADHO CO[C@@H](CNCCC[NH+](C)C)CC(C)C ZINC000638289106 352124631 /nfs/dbraw/zinc/12/46/31/352124631.db2.gz DBYKTJNNSWWWRT-GFCCVEGCSA-N 1 3 216.369 1.589 20 0 BDADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])N(C)C ZINC000638233762 352085833 /nfs/dbraw/zinc/08/58/33/352085833.db2.gz KEXWXMKWXVPVMS-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CO[C@]1(C[NH2+]CCCN(C)C(C)C)CCOC1 ZINC000638337196 352156112 /nfs/dbraw/zinc/15/61/12/352156112.db2.gz CQTIDRWAEVRHHP-ZDUSSCGKSA-N 1 3 244.379 1.112 20 0 BDADHO CCC(C)(C)N1CCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000638394829 352200945 /nfs/dbraw/zinc/20/09/45/352200945.db2.gz KKYUSPDFYLYRDM-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCC2(O)CCC2)C1 ZINC000411116127 191159715 /nfs/dbraw/zinc/15/97/15/191159715.db2.gz NRAWTRDMZGIOMJ-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533532 352352758 /nfs/dbraw/zinc/35/27/58/352352758.db2.gz JMZUKUDPFKHXHR-NSHDSACASA-N 1 3 222.336 1.150 20 0 BDADHO CC(C)COCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261589651 535177688 /nfs/dbraw/zinc/17/76/88/535177688.db2.gz UAFWAMOFMXWPNY-XQQFMLRXSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1[C@H](CO)CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000412079244 191253143 /nfs/dbraw/zinc/25/31/43/191253143.db2.gz LCEIAKSSWIXSJR-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1[C@H](CO)CCCN1CC[C@H]1CCC[N@H+]1C ZINC000412079244 191253146 /nfs/dbraw/zinc/25/31/46/191253146.db2.gz LCEIAKSSWIXSJR-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H](Cc1cnccn1)[NH2+]CC1=CCN(C)CC1 ZINC000638838382 353023018 /nfs/dbraw/zinc/02/30/18/353023018.db2.gz HTOYHAMCTIJRHQ-LBPRGKRZSA-N 1 3 246.358 1.259 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+]CC1=CCN(C)CC1)OC ZINC000638838180 353023054 /nfs/dbraw/zinc/02/30/54/353023054.db2.gz DXKWLGPQHVZGQJ-JSGCOSHPSA-N 1 3 240.391 1.899 20 0 BDADHO CN1CC[C@H]([NH2+]CCF)[C@@H]2CCC[C@@H]21 ZINC000306939463 353046389 /nfs/dbraw/zinc/04/63/89/353046389.db2.gz KMAWFFWXGOEKAX-DCAQKATOSA-N 1 3 200.301 1.418 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943142 353141306 /nfs/dbraw/zinc/14/13/06/353141306.db2.gz QNDVFKCTJYRFAO-GVXVVHGQSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@@H]1CCCCC[N@@H+]1CCN1CCNCC1 ZINC000125054786 353173497 /nfs/dbraw/zinc/17/34/97/353173497.db2.gz OTEGRVCBVIPQAY-CQSZACIVSA-N 1 3 239.407 1.546 20 0 BDADHO CC[C@@H]1CCCCC[N@H+]1CCN1CCNCC1 ZINC000125054786 353173498 /nfs/dbraw/zinc/17/34/98/353173498.db2.gz OTEGRVCBVIPQAY-CQSZACIVSA-N 1 3 239.407 1.546 20 0 BDADHO CCN1CCC(N(C)C(=O)CC[C@H](C)[NH3+])CC1 ZINC000070314967 353259144 /nfs/dbraw/zinc/25/91/44/353259144.db2.gz WVIQOCMMPGTECD-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)[C@H](CCO)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300408940 188247989 /nfs/dbraw/zinc/24/79/89/188247989.db2.gz SZRBZBOEGVXBAI-RDBSUJKOSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408940 188247990 /nfs/dbraw/zinc/24/79/90/188247990.db2.gz SZRBZBOEGVXBAI-RDBSUJKOSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408940 188247992 /nfs/dbraw/zinc/24/79/92/188247992.db2.gz SZRBZBOEGVXBAI-RDBSUJKOSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029502 353296319 /nfs/dbraw/zinc/29/63/19/353296319.db2.gz FPAOWIUGJVJHPZ-IJLUTSLNSA-N 1 3 241.379 1.136 20 0 BDADHO C(CN1CCN2CCCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000252694235 353303822 /nfs/dbraw/zinc/30/38/22/353303822.db2.gz YTWZVWYPEHKWGM-ZIAGYGMSSA-N 1 3 237.391 1.156 20 0 BDADHO CC(C)(CN[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000336663609 188339891 /nfs/dbraw/zinc/33/98/91/188339891.db2.gz KTTVCSQIKOABJC-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)(C[NH2+][C@@H]1CCOC1)CN1CCCC1 ZINC000336663609 188339892 /nfs/dbraw/zinc/33/98/92/188339892.db2.gz KTTVCSQIKOABJC-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)CN ZINC000336713169 188344249 /nfs/dbraw/zinc/34/42/49/188344249.db2.gz OFLDRIRUZXMPLC-VXGBXAGGSA-N 1 3 236.359 1.811 20 0 BDADHO COc1ccccc1C[C@@H](C)NC[C@H](C)C[NH3+] ZINC000336713169 188344252 /nfs/dbraw/zinc/34/42/52/188344252.db2.gz OFLDRIRUZXMPLC-VXGBXAGGSA-N 1 3 236.359 1.811 20 0 BDADHO CC(C)COCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000336667850 188358169 /nfs/dbraw/zinc/35/81/69/188358169.db2.gz NZCJVMMVOAHVPM-CYBMUJFWSA-N 1 3 228.380 1.543 20 0 BDADHO CC(C)COCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000336667850 188358171 /nfs/dbraw/zinc/35/81/71/188358171.db2.gz NZCJVMMVOAHVPM-CYBMUJFWSA-N 1 3 228.380 1.543 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCC[C@H]2CCO2)CC1 ZINC000639104716 353595973 /nfs/dbraw/zinc/59/59/73/353595973.db2.gz QKEGSYUYPOJIJX-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCC[C@H]2CCO2)CC1 ZINC000639104716 353595977 /nfs/dbraw/zinc/59/59/77/353595977.db2.gz QKEGSYUYPOJIJX-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCC[C@H]2CCO2)CC1 ZINC000639104716 353595979 /nfs/dbraw/zinc/59/59/79/353595979.db2.gz QKEGSYUYPOJIJX-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H](COC)C1CC1 ZINC000398072810 324217241 /nfs/dbraw/zinc/21/72/41/324217241.db2.gz DZGBBUUCSHUXHG-NSHDSACASA-N 1 3 214.353 1.519 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H](COC)C1CC1 ZINC000398072810 324217248 /nfs/dbraw/zinc/21/72/48/324217248.db2.gz DZGBBUUCSHUXHG-NSHDSACASA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CC(N)=O)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000220432213 353836474 /nfs/dbraw/zinc/83/64/74/353836474.db2.gz XEJMKZCMDWAZQP-TUAOUCFPSA-N 1 3 241.379 1.151 20 0 BDADHO CC[C@H](C)C[N@H+](C)CCCN(C)CCN(C)C ZINC000344019589 354081673 /nfs/dbraw/zinc/08/16/73/354081673.db2.gz FUVNUXMUHVZNKH-AWEZNQCLSA-N 1 3 243.439 1.848 20 0 BDADHO CC[C@H](C)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000344019589 354081674 /nfs/dbraw/zinc/08/16/74/354081674.db2.gz FUVNUXMUHVZNKH-AWEZNQCLSA-N 1 3 243.439 1.848 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449687116 202001966 /nfs/dbraw/zinc/00/19/66/202001966.db2.gz OBKINJXCALUZBK-SDDRHHMPSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449683813 202002620 /nfs/dbraw/zinc/00/26/20/202002620.db2.gz OBKINJXCALUZBK-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO CN(C)CCOCC[NH2+]C1CCCCC1 ZINC000231676281 363347715 /nfs/dbraw/zinc/34/77/15/363347715.db2.gz OLNMZQLJCLGMNV-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO Cc1cn[nH]c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334584763 354206895 /nfs/dbraw/zinc/20/68/95/354206895.db2.gz IKHFEGOBAJISCK-CYBMUJFWSA-N 1 3 248.374 1.682 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC2CC(F)(F)C2)C1 ZINC000577963762 366148190 /nfs/dbraw/zinc/14/81/90/366148190.db2.gz MZEQJUZZKBTGNR-SFYZADRCSA-N 1 3 204.264 1.644 20 0 BDADHO Cc1c[nH+]ccc1N1C[C@H]2CCN(C)[C@H]2C1 ZINC000334629808 354372462 /nfs/dbraw/zinc/37/24/62/354372462.db2.gz WWZCOONMZBEGTG-YPMHNXCESA-N 1 3 217.316 1.530 20 0 BDADHO CSCCCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000235048727 363436342 /nfs/dbraw/zinc/43/63/42/363436342.db2.gz KUPDSVRZVAFSCP-LLVKDONJSA-N 1 3 216.394 1.671 20 0 BDADHO CSCCC[N@H+](C)C[C@@H]1CCCNC1 ZINC000235048727 363436344 /nfs/dbraw/zinc/43/63/44/363436344.db2.gz KUPDSVRZVAFSCP-LLVKDONJSA-N 1 3 216.394 1.671 20 0 BDADHO CSCCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC000235048727 363436346 /nfs/dbraw/zinc/43/63/46/363436346.db2.gz KUPDSVRZVAFSCP-LLVKDONJSA-N 1 3 216.394 1.671 20 0 BDADHO COC1CCC(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000422836940 192484590 /nfs/dbraw/zinc/48/45/90/192484590.db2.gz LAPIXOROGSYFQF-FKZOYECMSA-N 1 3 240.391 1.909 20 0 BDADHO COc1ccsc1CN1CCC(C[NH3+])CC1 ZINC000346686947 355012967 /nfs/dbraw/zinc/01/29/67/355012967.db2.gz LDWWQOPWUGJVMR-UHFFFAOYSA-N 1 3 240.372 1.927 20 0 BDADHO COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](N)C2)cc1 ZINC000346635362 355014655 /nfs/dbraw/zinc/01/46/55/355014655.db2.gz GOPBAJOIQYDXIF-WCQYABFASA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@@H](C)C[N@H+]2CC[C@@H](N)C2)cc1 ZINC000346635362 355014657 /nfs/dbraw/zinc/01/46/57/355014657.db2.gz GOPBAJOIQYDXIF-WCQYABFASA-N 1 3 234.343 1.832 20 0 BDADHO C[C@H](CC1CCOCC1)CN1CCC([NH3+])CC1 ZINC000346648666 355018193 /nfs/dbraw/zinc/01/81/93/355018193.db2.gz PJZREYKJPGAMOE-GFCCVEGCSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H](N)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335229467 355071496 /nfs/dbraw/zinc/07/14/96/355071496.db2.gz GWJRGKVJJIUHGN-TZMCWYRMSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@@H](N)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335229467 355071501 /nfs/dbraw/zinc/07/15/01/355071501.db2.gz GWJRGKVJJIUHGN-TZMCWYRMSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335229464 355071659 /nfs/dbraw/zinc/07/16/59/355071659.db2.gz GWJRGKVJJIUHGN-GXTWGEPZSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000335229464 355071661 /nfs/dbraw/zinc/07/16/61/355071661.db2.gz GWJRGKVJJIUHGN-GXTWGEPZSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccccc1N(C)C ZINC000346693067 355076266 /nfs/dbraw/zinc/07/62/66/355076266.db2.gz KQZLTPWNUXXVQV-CHWSQXEVSA-N 1 3 247.386 1.922 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CN)C[C@H]2C)CCO1 ZINC000346695201 355077116 /nfs/dbraw/zinc/07/71/16/355077116.db2.gz YVIYEVUPGKGQCI-AAVRWANBSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](CN)C[C@H]2C)CCO1 ZINC000346695201 355077117 /nfs/dbraw/zinc/07/71/17/355077117.db2.gz YVIYEVUPGKGQCI-AAVRWANBSA-N 1 3 240.391 1.861 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346853501 355138507 /nfs/dbraw/zinc/13/85/07/355138507.db2.gz SSJUDUBRWRKZPU-CYZMBNFOSA-N 1 3 234.347 1.196 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)[C@@H](CO)C(C)(C)C ZINC000346988379 355188587 /nfs/dbraw/zinc/18/85/87/355188587.db2.gz QYAJIJBNVNZJQB-NEPJUHHUSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)[C@@H](CO)C(C)(C)C ZINC000346988379 355188589 /nfs/dbraw/zinc/18/85/89/355188589.db2.gz QYAJIJBNVNZJQB-NEPJUHHUSA-N 1 3 228.380 1.325 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)[C@@H](CO)C(C)(C)C ZINC000346988379 355188590 /nfs/dbraw/zinc/18/85/90/355188590.db2.gz QYAJIJBNVNZJQB-NEPJUHHUSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H](O)CN(C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC000352004786 134034592 /nfs/dbraw/zinc/03/45/92/134034592.db2.gz QCEFAOMAZTZUBG-VXGBXAGGSA-N 1 3 246.370 1.512 20 0 BDADHO COCCCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000113511983 355247917 /nfs/dbraw/zinc/24/79/17/355247917.db2.gz UREUXIHCVBVCHJ-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CC[C@H](CN(C)C[C@@H]1CCC[N@H+](C)C1)OC ZINC000412979332 191348626 /nfs/dbraw/zinc/34/86/26/191348626.db2.gz TYBJFWRAPFJTKG-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](CN(C)C[C@@H]1CCC[N@@H+](C)C1)OC ZINC000412979332 191348629 /nfs/dbraw/zinc/34/86/29/191348629.db2.gz TYBJFWRAPFJTKG-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000639245358 355266771 /nfs/dbraw/zinc/26/67/71/355266771.db2.gz WTHXWBHLALNPRC-OLZOCXBDSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000639245358 355266774 /nfs/dbraw/zinc/26/67/74/355266774.db2.gz WTHXWBHLALNPRC-OLZOCXBDSA-N 1 3 248.374 1.400 20 0 BDADHO C[C@H](F)CC[NH+]1CCC(N(C)CCO)CC1 ZINC000352050745 134046897 /nfs/dbraw/zinc/04/68/97/134046897.db2.gz UTLVMTLKEVASPX-NSHDSACASA-N 1 3 232.343 1.123 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000166561585 355691524 /nfs/dbraw/zinc/69/15/24/355691524.db2.gz UQXNHCAEHLGUFP-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000166561700 355691638 /nfs/dbraw/zinc/69/16/38/355691638.db2.gz UQXNHCAEHLGUFP-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCN(C)c2ccccc2)C1 ZINC000351863480 356100296 /nfs/dbraw/zinc/10/02/96/356100296.db2.gz UBWTYRIOBSURGO-ZIAGYGMSSA-N 1 3 247.386 1.792 20 0 BDADHO CN(CC[C@@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000420296973 192204955 /nfs/dbraw/zinc/20/49/55/192204955.db2.gz XTFAKQYDLSCWIO-LBPRGKRZSA-N 1 3 228.380 1.862 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCCc2ccsc2)C1 ZINC000420300850 192206446 /nfs/dbraw/zinc/20/64/46/192206446.db2.gz VHXNZFLHNNDHQI-LBPRGKRZSA-N 1 3 224.373 1.961 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@]1(C)CCCS1 ZINC000422873049 192494236 /nfs/dbraw/zinc/49/42/36/192494236.db2.gz JPWNHOBGPIPSTR-AXFHLTTASA-N 1 3 216.394 1.988 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000420273944 192197233 /nfs/dbraw/zinc/19/72/33/192197233.db2.gz NZNLRDGYJRINIU-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CN(CCCc1ccncc1)C1CC([NH3+])C1 ZINC000420342239 192216186 /nfs/dbraw/zinc/21/61/86/192216186.db2.gz VPVGERWEURKLJE-UHFFFAOYSA-N 1 3 219.332 1.436 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCCc2ccncc2)C1 ZINC000420305511 192208292 /nfs/dbraw/zinc/20/82/92/192208292.db2.gz KKEZKQSIEJNQDL-OCCSQVGLSA-N 1 3 233.359 1.683 20 0 BDADHO CC(C)OC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000420308876 192211051 /nfs/dbraw/zinc/21/10/51/192211051.db2.gz KRFSMJHMSKFHEL-LBPRGKRZSA-N 1 3 242.363 1.402 20 0 BDADHO Nc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000420316411 192212461 /nfs/dbraw/zinc/21/24/61/192212461.db2.gz YCLQABWQWADEHZ-YNEHKIRRSA-N 1 3 246.358 1.053 20 0 BDADHO CC[NH+](CC)CCCN1CCNC[C@](C)(F)C1 ZINC000420322551 192226876 /nfs/dbraw/zinc/22/68/76/192226876.db2.gz AKFAKOKXASEUAN-ZDUSSCGKSA-N 1 3 245.386 1.352 20 0 BDADHO CCN(CCC(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000420321384 192227524 /nfs/dbraw/zinc/22/75/24/192227524.db2.gz ZYXBILNHAVVMQR-LLVKDONJSA-N 1 3 228.336 1.014 20 0 BDADHO CCOCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420371929 192229041 /nfs/dbraw/zinc/22/90/41/192229041.db2.gz PWWISKRHNSXEJI-LBPRGKRZSA-N 1 3 214.353 1.520 20 0 BDADHO CCC[C@H](N)C(=O)NC1CC[NH+](CCC)CC1 ZINC000040829713 358502974 /nfs/dbraw/zinc/50/29/74/358502974.db2.gz LXJYTZDWZHCRAK-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO CN(CCCc1cccc(F)c1)C[C@@H](O)C[NH3+] ZINC000420354555 192219661 /nfs/dbraw/zinc/21/96/61/192219661.db2.gz OQWRMLKWFNZTHD-ZDUSSCGKSA-N 1 3 240.322 1.010 20 0 BDADHO C[N@H+](CCCc1cccc(F)c1)C[C@@H](O)CN ZINC000420354555 192219662 /nfs/dbraw/zinc/21/96/62/192219662.db2.gz OQWRMLKWFNZTHD-ZDUSSCGKSA-N 1 3 240.322 1.010 20 0 BDADHO C[N@@H+](CCCc1cccc(F)c1)C[C@@H](O)CN ZINC000420354555 192219665 /nfs/dbraw/zinc/21/96/65/192219665.db2.gz OQWRMLKWFNZTHD-ZDUSSCGKSA-N 1 3 240.322 1.010 20 0 BDADHO CCC[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420361352 192222376 /nfs/dbraw/zinc/22/23/76/192222376.db2.gz NIRMYEGPWGZLFX-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420359974 192222818 /nfs/dbraw/zinc/22/28/18/192222818.db2.gz LITUJIATPWDDOS-UONOGXRCSA-N 1 3 240.391 1.733 20 0 BDADHO NCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000420364004 192224786 /nfs/dbraw/zinc/22/47/86/192224786.db2.gz QHWUKOLSOKLBKT-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO C(CN1CCOC[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000420368360 192225216 /nfs/dbraw/zinc/22/52/16/192225216.db2.gz WQNQGCFSEBCILI-JSGCOSHPSA-N 1 3 238.375 1.487 20 0 BDADHO COCCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407807 192239793 /nfs/dbraw/zinc/23/97/93/192239793.db2.gz VMBOFTCCXKINIX-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000352676904 356401877 /nfs/dbraw/zinc/40/18/77/356401877.db2.gz VCQHGEUDAOXYIC-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000352676904 356401882 /nfs/dbraw/zinc/40/18/82/356401882.db2.gz VCQHGEUDAOXYIC-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000639614036 356531899 /nfs/dbraw/zinc/53/18/99/356531899.db2.gz WVECLRMKZJGYMM-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000639614036 356531903 /nfs/dbraw/zinc/53/19/03/356531903.db2.gz WVECLRMKZJGYMM-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CCCCOCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216371 535312681 /nfs/dbraw/zinc/31/26/81/535312681.db2.gz RJMHDMDKFSENPY-QWHCGFSZSA-N 1 3 228.380 1.910 20 0 BDADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084216371 535312678 /nfs/dbraw/zinc/31/26/78/535312678.db2.gz RJMHDMDKFSENPY-QWHCGFSZSA-N 1 3 228.380 1.910 20 0 BDADHO FCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683341 356592557 /nfs/dbraw/zinc/59/25/57/356592557.db2.gz XRUVKRDZRIQFIN-UHFFFAOYSA-N 1 3 237.322 1.953 20 0 BDADHO FCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683341 356592561 /nfs/dbraw/zinc/59/25/61/356592561.db2.gz XRUVKRDZRIQFIN-UHFFFAOYSA-N 1 3 237.322 1.953 20 0 BDADHO CCOCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682436 356592734 /nfs/dbraw/zinc/59/27/34/356592734.db2.gz XNURNNBQKYRJRK-UHFFFAOYSA-N 1 3 249.358 1.630 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000422920065 192505694 /nfs/dbraw/zinc/50/56/94/192505694.db2.gz LNMPKJZHPNSNIZ-QJPTWQEYSA-N 1 3 226.364 1.519 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423002876 192530037 /nfs/dbraw/zinc/53/00/37/192530037.db2.gz KFWFSSHTSKDJHR-GHMZBOCLSA-N 1 3 216.369 1.501 20 0 BDADHO CCC(CC)(CO)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423002876 192530040 /nfs/dbraw/zinc/53/00/40/192530040.db2.gz KFWFSSHTSKDJHR-GHMZBOCLSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCSCC(F)(F)F ZINC000423018962 192541683 /nfs/dbraw/zinc/54/16/83/192541683.db2.gz SQXXOLLTEIBEGH-HTQZYQBOSA-N 1 3 244.326 1.997 20 0 BDADHO C[C@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000167631433 134153244 /nfs/dbraw/zinc/15/32/44/134153244.db2.gz KUICJFAACWYWHP-MROQNXINSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000167635659 134153426 /nfs/dbraw/zinc/15/34/26/134153426.db2.gz UHWHQDPSACDLKS-GGZOMVNGSA-N 1 3 206.289 1.102 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000639758043 356667103 /nfs/dbraw/zinc/66/71/03/356667103.db2.gz OTNDJYMWYHCBOQ-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCC[C@H]1F ZINC000423149807 192591094 /nfs/dbraw/zinc/59/10/94/192591094.db2.gz XWJWBTGENFMPSZ-ZDCRXTMVSA-N 1 3 200.301 1.594 20 0 BDADHO C[N@@H+]1CC[C@@H](NCCn2ccnc2)CC1(C)C ZINC000623338623 356734286 /nfs/dbraw/zinc/73/42/86/356734286.db2.gz IXVAFBBAHJXIFG-GFCCVEGCSA-N 1 3 236.363 1.346 20 0 BDADHO C[N@H+]1CC[C@@H](NCCn2ccnc2)CC1(C)C ZINC000623338623 356734288 /nfs/dbraw/zinc/73/42/88/356734288.db2.gz IXVAFBBAHJXIFG-GFCCVEGCSA-N 1 3 236.363 1.346 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000423162090 192599304 /nfs/dbraw/zinc/59/93/04/192599304.db2.gz KHLBDTMVCWBFDD-YVECIDJPSA-N 1 3 226.364 1.255 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCCOC1 ZINC000166565845 538725862 /nfs/dbraw/zinc/72/58/62/538725862.db2.gz ZUHZMIBACDXDDV-LBPRGKRZSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623383933 356909075 /nfs/dbraw/zinc/90/90/75/356909075.db2.gz HYLHPHOZXPEHSN-OLZOCXBDSA-N 1 3 241.423 1.789 20 0 BDADHO CC(C)CN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374420303 357160511 /nfs/dbraw/zinc/16/05/11/357160511.db2.gz LECCIDXFUONFQU-BFHYXJOUSA-N 1 3 240.391 1.826 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCCC[C@H]2O)C1 ZINC000393337399 357281760 /nfs/dbraw/zinc/28/17/60/357281760.db2.gz UIRILFSMGCTAND-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)CCC1CC1 ZINC000393730804 357294299 /nfs/dbraw/zinc/29/42/99/357294299.db2.gz GKVFROSZAZLYGS-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)CCC1CC1 ZINC000393730804 357294300 /nfs/dbraw/zinc/29/43/00/357294300.db2.gz GKVFROSZAZLYGS-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO Cc1ccc(CCN[C@@H](C)C[C@H](C)[NH3+])cn1 ZINC000582839671 357413210 /nfs/dbraw/zinc/41/32/10/357413210.db2.gz HCAUKXYTJRQYKX-JQWIXIFHSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)N)cn1 ZINC000582839671 357413214 /nfs/dbraw/zinc/41/32/14/357413214.db2.gz HCAUKXYTJRQYKX-JQWIXIFHSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2cscn2)CC[N@@H+]1C ZINC000158882379 538869842 /nfs/dbraw/zinc/86/98/42/538869842.db2.gz CUMQIWGKGCUHRH-MNOVXSKESA-N 1 3 239.388 1.758 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2cscn2)CC[N@H+]1C ZINC000158882379 538869845 /nfs/dbraw/zinc/86/98/45/538869845.db2.gz CUMQIWGKGCUHRH-MNOVXSKESA-N 1 3 239.388 1.758 20 0 BDADHO [NH3+]CCCNCCc1ccc(Cl)s1 ZINC000226347895 491113957 /nfs/dbraw/zinc/11/39/57/491113957.db2.gz FNNRMFXSUKJXER-UHFFFAOYSA-N 1 3 218.753 1.882 20 0 BDADHO NCCC[NH2+]CCc1ccc(Cl)s1 ZINC000226347895 491113958 /nfs/dbraw/zinc/11/39/58/491113958.db2.gz FNNRMFXSUKJXER-UHFFFAOYSA-N 1 3 218.753 1.882 20 0 BDADHO C[C@H](Cc1ccsc1)N[C@@H](C)C1C[NH2+]C1 ZINC000583257240 357732747 /nfs/dbraw/zinc/73/27/47/357732747.db2.gz QQVYAXGYCVIVEE-ZJUUUORDSA-N 1 3 224.373 1.877 20 0 BDADHO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C1CNC1 ZINC000583257240 357732750 /nfs/dbraw/zinc/73/27/50/357732750.db2.gz QQVYAXGYCVIVEE-ZJUUUORDSA-N 1 3 224.373 1.877 20 0 BDADHO c1cn2c(cccc2CNCCC[NH+]2CCC2)n1 ZINC000583273092 357786298 /nfs/dbraw/zinc/78/62/98/357786298.db2.gz FIDOXKMLBCTGBI-UHFFFAOYSA-N 1 3 244.342 1.520 20 0 BDADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000235289244 357851890 /nfs/dbraw/zinc/85/18/90/357851890.db2.gz VIBNLYUZRVKNHT-MCIONIFRSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000398494301 357886682 /nfs/dbraw/zinc/88/66/82/357886682.db2.gz UOYYBTMZHQPLRL-UTUOFQBUSA-N 1 3 214.353 1.397 20 0 BDADHO CN1CCN(CC[NH+]2CCCCC2)CC1(C)C ZINC000583760914 357936591 /nfs/dbraw/zinc/93/65/91/357936591.db2.gz ZPZKRHGJLFGSBT-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C(C[NH2+]CC[C@@H]1CCOC1)CN1CCCC1 ZINC000220842027 358055601 /nfs/dbraw/zinc/05/56/01/358055601.db2.gz PWJBDMIIDGGXOS-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO C[C@@]1(CN[C@H]2CCC[NH2+]CC2)CCCO1 ZINC000168771505 134248058 /nfs/dbraw/zinc/24/80/58/134248058.db2.gz LPPUDGLYOBDEQU-RYUDHWBXSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@@]1(C[NH2+][C@H]2CCCNCC2)CCCO1 ZINC000168771505 134248059 /nfs/dbraw/zinc/24/80/59/134248059.db2.gz LPPUDGLYOBDEQU-RYUDHWBXSA-N 1 3 212.337 1.287 20 0 BDADHO C([NH2+][C@H]1CCC[C@H](C2CC2)C1)C1CNC1 ZINC000423303496 192692288 /nfs/dbraw/zinc/69/22/88/192692288.db2.gz LSQZQMKOAYXOEK-STQMWFEESA-N 1 3 208.349 1.764 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@](O)(CC)C1 ZINC000640035854 358135761 /nfs/dbraw/zinc/13/57/61/358135761.db2.gz OARWHLRMHRMYEL-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@](O)(CC)C1 ZINC000640035854 358135765 /nfs/dbraw/zinc/13/57/65/358135765.db2.gz OARWHLRMHRMYEL-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000584839342 358199065 /nfs/dbraw/zinc/19/90/65/358199065.db2.gz ZNTCIOZATMXVLJ-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](CO)Cc2ccccc2)C1 ZINC000223009646 358213842 /nfs/dbraw/zinc/21/38/42/358213842.db2.gz FSDRREZNGRPVKW-RBSFLKMASA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@@H]1CCCO1 ZINC000044510348 358388512 /nfs/dbraw/zinc/38/85/12/358388512.db2.gz BCDMCJMCPHYNAA-WOPDTQHZSA-N 1 3 212.337 1.367 20 0 BDADHO CCCC[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219316335 134281416 /nfs/dbraw/zinc/28/14/16/134281416.db2.gz GZWSKVDLDZTIGZ-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)C1(C)CC1 ZINC000219312580 134281440 /nfs/dbraw/zinc/28/14/40/134281440.db2.gz ZQGZRPKOJGXMOL-LLVKDONJSA-N 1 3 214.353 1.343 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H](C)CN(C)C)CC1 ZINC000130160322 358610893 /nfs/dbraw/zinc/61/08/93/358610893.db2.gz SDIMDHGLZMCKOJ-LBPRGKRZSA-N 1 3 227.396 1.399 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000130154386 358610925 /nfs/dbraw/zinc/61/09/25/358610925.db2.gz QBKNZEFZMHJDCV-WCQYABFASA-N 1 3 236.363 1.121 20 0 BDADHO [NH3+]C1CCN(CCCOCC(F)(F)F)CC1 ZINC000049311934 358681198 /nfs/dbraw/zinc/68/11/98/358681198.db2.gz PBTGYXNDRXXQJR-UHFFFAOYSA-N 1 3 240.269 1.379 20 0 BDADHO CCN1CCC([NH2+][C@H](C)CCN(C)C)CC1 ZINC000049551855 358694050 /nfs/dbraw/zinc/69/40/50/358694050.db2.gz WJIVGYQMGSYNRW-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CC(C)[C@H](CO)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000132170242 358709819 /nfs/dbraw/zinc/70/98/19/358709819.db2.gz DOTDWQFRHDVYEW-IHRRRGAJSA-N 1 3 234.343 1.738 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000132454721 358723729 /nfs/dbraw/zinc/72/37/29/358723729.db2.gz LSFZVQPSOKPXHW-YIYPIFLZSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000132454721 358723734 /nfs/dbraw/zinc/72/37/34/358723734.db2.gz LSFZVQPSOKPXHW-YIYPIFLZSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000132480862 358723915 /nfs/dbraw/zinc/72/39/15/358723915.db2.gz SMIMYGBSKZNCEU-UPJWGTAASA-N 1 3 228.380 1.658 20 0 BDADHO [NH3+]CC1CCC(NCc2ncccc2F)CC1 ZINC000578314016 366496353 /nfs/dbraw/zinc/49/63/53/366496353.db2.gz RJSDKSAIQBAPEJ-UHFFFAOYSA-N 1 3 237.322 1.828 20 0 BDADHO CN1CCCN(CCC[NH2+]CC(C)(C)C)CC1 ZINC000105476231 358973425 /nfs/dbraw/zinc/97/34/25/358973425.db2.gz LYPFJCURDSGCMR-UHFFFAOYSA-N 1 3 241.423 1.650 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN)C12CCCC2 ZINC000423310289 192697095 /nfs/dbraw/zinc/69/70/95/192697095.db2.gz RRVOFUKMQGVRFX-YNEHKIRRSA-N 1 3 240.391 1.909 20 0 BDADHO CN(CCCCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860193 359229828 /nfs/dbraw/zinc/22/98/28/359229828.db2.gz KTDJOSAPPJJLEP-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CN(CCCCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000075860193 359229837 /nfs/dbraw/zinc/22/98/37/359229837.db2.gz KTDJOSAPPJJLEP-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)CC(C)(C)O ZINC000075861028 359230422 /nfs/dbraw/zinc/23/04/22/359230422.db2.gz ZCFHIGPKZPKTTO-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CN(CC[C@@H]1CCCC[N@H+]1C)CC(C)(C)O ZINC000075861028 359230425 /nfs/dbraw/zinc/23/04/25/359230425.db2.gz ZCFHIGPKZPKTTO-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cnn(C)c1 ZINC000423405591 192746839 /nfs/dbraw/zinc/74/68/39/192746839.db2.gz ZUVKOLCESQWBNC-WXHSDQCUSA-N 1 3 236.363 1.601 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H]1CCCO1 ZINC000423391155 192763156 /nfs/dbraw/zinc/76/31/56/192763156.db2.gz PKSPOKCJBYXZNT-ABAIWWIYSA-N 1 3 246.354 1.947 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@H]2CCOC2)CC1(C)C ZINC000623471312 359856945 /nfs/dbraw/zinc/85/69/45/359856945.db2.gz WTUPVUVOOVQWMB-QWRGUYRKSA-N 1 3 212.337 1.238 20 0 BDADHO C[N@H+]1CC[C@H](N[C@H]2CCOC2)CC1(C)C ZINC000623471312 359856947 /nfs/dbraw/zinc/85/69/47/359856947.db2.gz WTUPVUVOOVQWMB-QWRGUYRKSA-N 1 3 212.337 1.238 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](COC)C(C)C ZINC000087477261 359914650 /nfs/dbraw/zinc/91/46/50/359914650.db2.gz BBTGFPSHZPGTHU-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO CC[NH+](CC)CCCN[C@H](COC)C(C)C ZINC000087477261 359914654 /nfs/dbraw/zinc/91/46/54/359914654.db2.gz BBTGFPSHZPGTHU-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCCN(CC)CC ZINC000451260885 202389547 /nfs/dbraw/zinc/38/95/47/202389547.db2.gz VDMSMDZFOJZUIJ-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H]1[C@@H](CO)CC[N@H+]1CCCN(CC)CC ZINC000451260885 202389550 /nfs/dbraw/zinc/38/95/50/202389550.db2.gz VDMSMDZFOJZUIJ-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H]1[C@@H](CO)CCN1CCC[NH+](CC)CC ZINC000451260885 202389552 /nfs/dbraw/zinc/38/95/52/202389552.db2.gz VDMSMDZFOJZUIJ-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146687 359992809 /nfs/dbraw/zinc/99/28/09/359992809.db2.gz YYEFIKSUSJVZRJ-STQMWFEESA-N 1 3 240.391 1.789 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000089140587 359993044 /nfs/dbraw/zinc/99/30/44/359993044.db2.gz UWTHAWMYKCWFCI-ZIAGYGMSSA-N 1 3 240.391 1.910 20 0 BDADHO [NH3+]C1(CNC2Cc3ccccc3C2)CCOCC1 ZINC000629387635 361040004 /nfs/dbraw/zinc/04/00/04/361040004.db2.gz JRAFXXPFHDCNQC-UHFFFAOYSA-N 1 3 246.354 1.251 20 0 BDADHO COc1cccc(CNCCOCCC[NH3+])c1 ZINC000629397889 361047601 /nfs/dbraw/zinc/04/76/01/361047601.db2.gz GAKHUUARSFJKJJ-UHFFFAOYSA-N 1 3 238.331 1.150 20 0 BDADHO [NH3+]CCCOCCNCc1cc2ccccc2o1 ZINC000629398382 361048760 /nfs/dbraw/zinc/04/87/60/361048760.db2.gz SFXAPSLYUNZPBC-UHFFFAOYSA-N 1 3 248.326 1.888 20 0 BDADHO Cc1ccc(CNCCOCCC[NH3+])s1 ZINC000629398420 361048989 /nfs/dbraw/zinc/04/89/89/361048989.db2.gz SVHSMHQPTYXDOI-UHFFFAOYSA-N 1 3 228.361 1.512 20 0 BDADHO C1CC1[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000629409302 361057689 /nfs/dbraw/zinc/05/76/89/361057689.db2.gz GWADUQOHISSVEP-AGIUHOORSA-N 1 3 208.349 1.907 20 0 BDADHO CCO[C@@H](CN(C)C1CC[NH2+]CC1)C1CC1 ZINC000629509005 361102298 /nfs/dbraw/zinc/10/22/98/361102298.db2.gz GSMLLWXXCUZMGT-ZDUSSCGKSA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@@H](C[N@H+](C)C1CCNCC1)C1CC1 ZINC000629509005 361102303 /nfs/dbraw/zinc/10/23/03/361102303.db2.gz GSMLLWXXCUZMGT-ZDUSSCGKSA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@@H](C[N@@H+](C)C1CCNCC1)C1CC1 ZINC000629509005 361102305 /nfs/dbraw/zinc/10/23/05/361102305.db2.gz GSMLLWXXCUZMGT-ZDUSSCGKSA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)C1CC1 ZINC000629509367 361103462 /nfs/dbraw/zinc/10/34/62/361103462.db2.gz DKVMSEQDUOPGRR-KGYLQXTDSA-N 1 3 226.364 1.471 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000629511940 361105794 /nfs/dbraw/zinc/10/57/94/361105794.db2.gz CKTQNPSJXGNAHP-RRFJBIMHSA-N 1 3 246.354 1.597 20 0 BDADHO CCO[C@H](CN[C@](C)(C[NH3+])C1CC1)C1CC1 ZINC000629514465 361112211 /nfs/dbraw/zinc/11/22/11/361112211.db2.gz MCQCTAIOUNLFHH-CHWSQXEVSA-N 1 3 226.364 1.519 20 0 BDADHO CCO[C@H](CN(C)CCC[NH3+])C1CC1 ZINC000629515424 361114053 /nfs/dbraw/zinc/11/40/53/361114053.db2.gz SHIUYQKHVAYUOW-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO C[NH2+]CCOCCN[C@@H]1CCc2ccccc21 ZINC000629528515 361137371 /nfs/dbraw/zinc/13/73/71/361137371.db2.gz BCJFVIUPGYADJQ-CQSZACIVSA-N 1 3 234.343 1.500 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cc(C)oc1C ZINC000629529814 361140451 /nfs/dbraw/zinc/14/04/51/361140451.db2.gz NIZBOAISPTYTIN-NSHDSACASA-N 1 3 240.347 1.783 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)F ZINC000631217249 361169878 /nfs/dbraw/zinc/16/98/78/361169878.db2.gz WCFFVUREZRFCKP-OUAUKWLOSA-N 1 3 248.317 1.219 20 0 BDADHO O[C@H](CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)F ZINC000631217249 361169882 /nfs/dbraw/zinc/16/98/82/361169882.db2.gz WCFFVUREZRFCKP-OUAUKWLOSA-N 1 3 248.317 1.219 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H](F)C1)[C@@H]1CC[NH2+]C1 ZINC000579232638 366728978 /nfs/dbraw/zinc/72/89/78/366728978.db2.gz RWEPQHSMMJOCPR-IRCOFANPSA-N 1 3 214.328 1.855 20 0 BDADHO COCC[C@H]1CCC[C@H]1[NH2+]CC[C@H](C)N ZINC000622044948 370674072 /nfs/dbraw/zinc/67/40/72/370674072.db2.gz YPTCAPBOIHTISO-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CNC1 ZINC000622043946 370675645 /nfs/dbraw/zinc/67/56/45/370675645.db2.gz PZKQEVWOYJKVJA-IONNQARKSA-N 1 3 204.264 1.229 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@H](C)C(=O)NC ZINC000191803932 361366329 /nfs/dbraw/zinc/36/63/29/361366329.db2.gz VXRTUGHRCZSSGY-LBPRGKRZSA-N 1 3 243.395 1.032 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000191803932 361366334 /nfs/dbraw/zinc/36/63/34/361366334.db2.gz VXRTUGHRCZSSGY-LBPRGKRZSA-N 1 3 243.395 1.032 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528675 201113290 /nfs/dbraw/zinc/11/32/90/201113290.db2.gz NFCIRHWZMNOEOZ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000429528675 201113295 /nfs/dbraw/zinc/11/32/95/201113295.db2.gz NFCIRHWZMNOEOZ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CC[C@@H]2CCCO2)CC1 ZINC000429528675 201113297 /nfs/dbraw/zinc/11/32/97/201113297.db2.gz NFCIRHWZMNOEOZ-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO COC[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000380253206 366761141 /nfs/dbraw/zinc/76/11/41/366761141.db2.gz PRJKEOUJVZLPTB-WOPDTQHZSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000380253206 366761146 /nfs/dbraw/zinc/76/11/46/366761146.db2.gz PRJKEOUJVZLPTB-WOPDTQHZSA-N 1 3 212.337 1.238 20 0 BDADHO [NH3+]C1(CNCCc2ccc3c(c2)CCO3)CCC1 ZINC000342169747 181332803 /nfs/dbraw/zinc/33/28/03/181332803.db2.gz QACSVHVTQRGZQT-UHFFFAOYSA-N 1 3 246.354 1.635 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629543580 361411412 /nfs/dbraw/zinc/41/14/12/361411412.db2.gz DFLKPQMRJKBZBW-NNYUYHANSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@@H]1CCCOC1 ZINC000629543567 361412048 /nfs/dbraw/zinc/41/20/48/361412048.db2.gz DCCLCMVPBDCDFD-NNYUYHANSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCSCC1 ZINC000629543888 361413040 /nfs/dbraw/zinc/41/30/40/361413040.db2.gz FHZQJXIXBLXNIG-JFGNBEQYSA-N 1 3 228.405 1.858 20 0 BDADHO CC[C@H](C)CN1CCC([NH2+]CCOC)CC1 ZINC000579480373 366824952 /nfs/dbraw/zinc/82/49/52/366824952.db2.gz RPYNUGPTHLSCKV-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CN1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000629551808 361443844 /nfs/dbraw/zinc/44/38/44/361443844.db2.gz XSHMJWSYGFSMPP-CQDKDKBSSA-N 1 3 245.370 1.815 20 0 BDADHO CO[C@H]1C[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629555218 361446379 /nfs/dbraw/zinc/44/63/79/361446379.db2.gz SAXWMQVGPYXYCD-GYSPRSAJSA-N 1 3 224.348 1.284 20 0 BDADHO Cc1ccc([C@H](C)NCCOCCC[NH3+])o1 ZINC000629542467 361419076 /nfs/dbraw/zinc/41/90/76/361419076.db2.gz ZWODBCYTROBBFD-NSHDSACASA-N 1 3 226.320 1.604 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[NH+](C1CC1)C1CC1 ZINC000629569689 361461960 /nfs/dbraw/zinc/46/19/60/361461960.db2.gz YUZICSVPCWTRJF-GFCCVEGCSA-N 1 3 222.332 1.134 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000629586778 361475529 /nfs/dbraw/zinc/47/55/29/361475529.db2.gz VDWWUYBYJFWXDE-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCCC2(CC2)CC1 ZINC000629586778 361475534 /nfs/dbraw/zinc/47/55/34/361475534.db2.gz VDWWUYBYJFWXDE-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO COCc1ccc(CNCC[C@H]2CC[NH2+]C2)o1 ZINC000629647956 361539269 /nfs/dbraw/zinc/53/92/69/361539269.db2.gz LXYLPVIQQFGZHO-LLVKDONJSA-N 1 3 238.331 1.515 20 0 BDADHO C[C@@H]1CCN(Cc2ccn(C)c2)C[C@@H]1C[NH3+] ZINC000629648484 361540809 /nfs/dbraw/zinc/54/08/09/361540809.db2.gz PCWWUCKCESPWID-YPMHNXCESA-N 1 3 221.348 1.442 20 0 BDADHO COCc1ccc(CN[C@@H]2CC[C@H](C[NH3+])C2)o1 ZINC000629649190 361542986 /nfs/dbraw/zinc/54/29/86/361542986.db2.gz LELHQCYIAUEIPD-WDEREUQCSA-N 1 3 238.331 1.643 20 0 BDADHO C[C@@H]1CCC[N@H+](CC2=CCCOC2)[C@H]1CCN ZINC000629650555 361548146 /nfs/dbraw/zinc/54/81/46/361548146.db2.gz VYTGZDOGCHKYDS-OCCSQVGLSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC2=CCCOC2)[C@H]1CCN ZINC000629650555 361548152 /nfs/dbraw/zinc/54/81/52/361548152.db2.gz VYTGZDOGCHKYDS-OCCSQVGLSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@@H]1CCCN(CC2=CCCOC2)[C@H]1CC[NH3+] ZINC000629650555 361548156 /nfs/dbraw/zinc/54/81/56/361548156.db2.gz VYTGZDOGCHKYDS-OCCSQVGLSA-N 1 3 238.375 1.782 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1ccc(C)s1 ZINC000629653610 361553498 /nfs/dbraw/zinc/55/34/98/361553498.db2.gz RAQYPQJBRRGYJA-UHFFFAOYSA-N 1 3 242.388 1.724 20 0 BDADHO COC[C@@H](C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661465 361594193 /nfs/dbraw/zinc/59/41/93/361594193.db2.gz BEOQXQCUDNLUEE-RWMBFGLXSA-N 1 3 226.364 1.200 20 0 BDADHO CCc1ccc(CN(C)CCOCC[NH3+])s1 ZINC000629661619 361594620 /nfs/dbraw/zinc/59/46/20/361594620.db2.gz DIKSVHUKRKAPQE-UHFFFAOYSA-N 1 3 242.388 1.718 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@@H](CCF)C2)CC[NH2+]1 ZINC000629666483 361587410 /nfs/dbraw/zinc/58/74/10/361587410.db2.gz REMFRRTWIXWUHB-UPJWGTAASA-N 1 3 244.354 1.435 20 0 BDADHO C[NH2+]CCCN1CCN(CCC(C)(C)C)CC1 ZINC000435881736 201296008 /nfs/dbraw/zinc/29/60/08/201296008.db2.gz CAFIREICWFTEKP-UHFFFAOYSA-N 1 3 241.423 1.650 20 0 BDADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cn1 ZINC000155403079 201330339 /nfs/dbraw/zinc/33/03/39/201330339.db2.gz QVMVXCFAFQSPNB-AWEZNQCLSA-N 1 3 245.370 1.964 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@H](NCCC[NH3+])C1 ZINC000437795884 201373683 /nfs/dbraw/zinc/37/36/83/201373683.db2.gz HHWPYKFTMNOIPF-ZFWWWQNUSA-N 1 3 247.386 1.760 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000328376895 364841400 /nfs/dbraw/zinc/84/14/00/364841400.db2.gz UFSYIUORQXFZLU-REWJHTLYSA-N 1 3 238.375 1.221 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624032 364878125 /nfs/dbraw/zinc/87/81/25/364878125.db2.gz HUNOTZJMADKSIZ-LPWJVIDDSA-N 1 3 226.364 1.397 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@](C)(CC)C1 ZINC000573574285 364865853 /nfs/dbraw/zinc/86/58/53/364865853.db2.gz QXCKUYGKNICCPR-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@](C)(CC)C1 ZINC000573574285 364865857 /nfs/dbraw/zinc/86/58/57/364865857.db2.gz QXCKUYGKNICCPR-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCN1 ZINC000574749609 365133690 /nfs/dbraw/zinc/13/36/90/365133690.db2.gz NZZPLPUTOJYBBB-GFCCVEGCSA-N 1 3 233.315 1.097 20 0 BDADHO CC(C)OC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000575123408 365207282 /nfs/dbraw/zinc/20/72/82/365207282.db2.gz GTRDQFJUWRJVKX-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO CC[NH+](CC)CCCN(C)C[C@@H]1CCOC1 ZINC000171940785 365260218 /nfs/dbraw/zinc/26/02/18/365260218.db2.gz TXPPEXMEIGLXNS-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@@H]1CCOC1 ZINC000171940785 365260221 /nfs/dbraw/zinc/26/02/21/365260221.db2.gz TXPPEXMEIGLXNS-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000171940785 365260223 /nfs/dbraw/zinc/26/02/23/365260223.db2.gz TXPPEXMEIGLXNS-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]CC2(O)CCC2)C1 ZINC000576029804 365455257 /nfs/dbraw/zinc/45/52/57/365455257.db2.gz BLLYHHMPRILITP-ZDUSSCGKSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CNCC2(O)CCC2)C1 ZINC000576029804 365455264 /nfs/dbraw/zinc/45/52/64/365455264.db2.gz BLLYHHMPRILITP-ZDUSSCGKSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CNCC2(O)CCC2)C1 ZINC000576029804 365455268 /nfs/dbraw/zinc/45/52/68/365455268.db2.gz BLLYHHMPRILITP-ZDUSSCGKSA-N 1 3 240.391 1.611 20 0 BDADHO N[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000580844560 367187345 /nfs/dbraw/zinc/18/73/45/367187345.db2.gz RSOWQBTXNMBCQR-HZSPNIEDSA-N 1 3 233.359 1.546 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000382842647 367563439 /nfs/dbraw/zinc/56/34/39/367563439.db2.gz WUNCLMALACLXMJ-CHWSQXEVSA-N 1 3 239.407 1.401 20 0 BDADHO Cc1ncccc1CN1CCC(CC[NH3+])CC1 ZINC000383879738 367657444 /nfs/dbraw/zinc/65/74/44/367657444.db2.gz CMMYNTMJMIRSCT-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO CC[C@H]1[C@H](C)CC[N@@H+]1CCN1CCNCC1 ZINC000384018453 367667804 /nfs/dbraw/zinc/66/78/04/367667804.db2.gz QIVWNQJMKYXPMH-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H]1[C@H](C)CC[N@H+]1CCN1CCNCC1 ZINC000384018453 367667805 /nfs/dbraw/zinc/66/78/05/367667805.db2.gz QIVWNQJMKYXPMH-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H]1[C@@H](C)CC[N@@H+]1CCN1CCNCC1 ZINC000384018457 367668534 /nfs/dbraw/zinc/66/85/34/367668534.db2.gz QIVWNQJMKYXPMH-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@H]1[C@@H](C)CC[N@H+]1CCN1CCNCC1 ZINC000384018457 367668538 /nfs/dbraw/zinc/66/85/38/367668538.db2.gz QIVWNQJMKYXPMH-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)[C@@H](C)O1 ZINC000384714287 367719046 /nfs/dbraw/zinc/71/90/46/367719046.db2.gz GZPXOLGZGSELHY-OOCWMUITSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000384877070 367749347 /nfs/dbraw/zinc/74/93/47/367749347.db2.gz PUOQRUZWLOASBQ-OUAUKWLOSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000384877070 367749351 /nfs/dbraw/zinc/74/93/51/367749351.db2.gz PUOQRUZWLOASBQ-OUAUKWLOSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000384949154 367762556 /nfs/dbraw/zinc/76/25/56/367762556.db2.gz FYFISAPBJZFJRM-UTUOFQBUSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1cnccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000385033255 367775653 /nfs/dbraw/zinc/77/56/53/367775653.db2.gz LJNKGCDGJFEOFD-OKILXGFUSA-N 1 3 245.370 1.821 20 0 BDADHO C[C@H](NCC1(C)CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386058228 367905169 /nfs/dbraw/zinc/90/51/69/367905169.db2.gz WUAJEJOPSZPSTA-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]([NH2+]CCc1ccn(C)n1)[C@@H]1CCCCN1 ZINC000386066350 367908572 /nfs/dbraw/zinc/90/85/72/367908572.db2.gz YMOWEYIYSVJPSJ-AAEUAGOBSA-N 1 3 236.363 1.083 20 0 BDADHO C[C@@H](N[C@@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386136535 367917180 /nfs/dbraw/zinc/91/71/80/367917180.db2.gz PSJWPCNQLTZBIR-FDYHWXHSSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775085 368061925 /nfs/dbraw/zinc/06/19/25/368061925.db2.gz JYTSSSUCOZXTHI-NOOOWODRSA-N 1 3 212.337 1.223 20 0 BDADHO CC[NH+]1CCC(CNCc2ccn(C)n2)CC1 ZINC000112837620 368876191 /nfs/dbraw/zinc/87/61/91/368876191.db2.gz NNFDXRAWOFJYEZ-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000086402439 368880142 /nfs/dbraw/zinc/88/01/42/368880142.db2.gz SYKHXYBZILOQOR-OLZOCXBDSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)CCO1 ZINC000623657230 368998072 /nfs/dbraw/zinc/99/80/72/368998072.db2.gz LSWQXAYDKFHDEC-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO Cn1ccc(C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623657097 368998207 /nfs/dbraw/zinc/99/82/07/368998207.db2.gz JTKXDWJMUNYIJL-CYBMUJFWSA-N 1 3 235.375 1.847 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623655868 368991267 /nfs/dbraw/zinc/99/12/67/368991267.db2.gz HUQJDWARACYUHJ-MCIONIFRSA-N 1 3 239.407 1.258 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCCCO1 ZINC000631827597 368992793 /nfs/dbraw/zinc/99/27/93/368992793.db2.gz RCVNEMUSOVQKAI-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCCCO1 ZINC000631827594 368993324 /nfs/dbraw/zinc/99/33/24/368993324.db2.gz RCVNEMUSOVQKAI-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO Cc1ccc(C)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573146 369354099 /nfs/dbraw/zinc/35/40/99/369354099.db2.gz MYFXHJSYJWJEJK-GJZGRUSLSA-N 1 3 230.355 1.955 20 0 BDADHO CC[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000459770670 203362070 /nfs/dbraw/zinc/36/20/70/203362070.db2.gz HSYOTESDMTXUPN-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H]1OCC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000459770670 203362073 /nfs/dbraw/zinc/36/20/73/203362073.db2.gz HSYOTESDMTXUPN-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H]1OCC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000459770670 203362075 /nfs/dbraw/zinc/36/20/75/203362075.db2.gz HSYOTESDMTXUPN-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CCn1cc(CCN[C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000621776414 370518249 /nfs/dbraw/zinc/51/82/49/370518249.db2.gz KRBFVUOEMRHVRN-LBPRGKRZSA-N 1 3 238.379 1.409 20 0 BDADHO Cc1cc(CN2CCC(C[NH3+])CC2)ccn1 ZINC000621773732 370518506 /nfs/dbraw/zinc/51/85/06/370518506.db2.gz ANTZTERWSAWGFS-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000621774946 370521099 /nfs/dbraw/zinc/52/10/99/370521099.db2.gz BAISFNJJKZPYQI-RRFJBIMHSA-N 1 3 245.370 1.949 20 0 BDADHO CCn1nccc1CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000621774929 370521144 /nfs/dbraw/zinc/52/11/44/370521144.db2.gz AKXITLUIAXCIIR-VXGBXAGGSA-N 1 3 236.363 1.115 20 0 BDADHO CCn1cc(CCN2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775221 370522804 /nfs/dbraw/zinc/52/28/04/370522804.db2.gz IVMVTYVVQCDKJE-DGCLKSJQSA-N 1 3 236.363 1.115 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621782698 370532551 /nfs/dbraw/zinc/53/25/51/370532551.db2.gz RPVDZYMWOROMIS-OLZOCXBDSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621782698 370532553 /nfs/dbraw/zinc/53/25/53/370532553.db2.gz RPVDZYMWOROMIS-OLZOCXBDSA-N 1 3 226.364 1.615 20 0 BDADHO [NH3+][C@@]12CCC[C@H]1CN(CCC1CCC1)C2 ZINC000621783439 370534332 /nfs/dbraw/zinc/53/43/32/370534332.db2.gz BLBYCVNFZMQEIT-QWHCGFSZSA-N 1 3 208.349 1.990 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H]1CCCCO1)C[NH+](C)C ZINC000623988048 371220834 /nfs/dbraw/zinc/22/08/34/371220834.db2.gz XQSUCWFQJIASAI-UPJWGTAASA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H]1C[N@H+](CC(C)(C)N)CC[C@@H]1C ZINC000230310989 371889613 /nfs/dbraw/zinc/88/96/13/371889613.db2.gz QDZUJMFRRGTMMC-UWVGGRQHSA-N 1 3 200.326 1.081 20 0 BDADHO CO[C@H]1C[N@@H+](CC(C)(C)N)CC[C@@H]1C ZINC000230310989 371889618 /nfs/dbraw/zinc/88/96/18/371889618.db2.gz QDZUJMFRRGTMMC-UWVGGRQHSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000230463871 371914737 /nfs/dbraw/zinc/91/47/37/371914737.db2.gz JAJJHFKDIIARNX-RKQHYHRCSA-N 1 3 238.375 1.242 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000230463871 371914742 /nfs/dbraw/zinc/91/47/42/371914742.db2.gz JAJJHFKDIIARNX-RKQHYHRCSA-N 1 3 238.375 1.242 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000631827982 372609388 /nfs/dbraw/zinc/60/93/88/372609388.db2.gz BHTGVOBNCRJMJN-QMVSFRDZSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000631827982 372609392 /nfs/dbraw/zinc/60/93/92/372609392.db2.gz BHTGVOBNCRJMJN-QMVSFRDZSA-N 1 3 240.391 1.717 20 0 BDADHO CC(C)OCC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631833282 372616929 /nfs/dbraw/zinc/61/69/29/372616929.db2.gz XFZNASFMJUTFRW-LBPRGKRZSA-N 1 3 214.353 1.615 20 0 BDADHO CC(C)OCC[N@H+]1CCCCC[C@H](N)C1 ZINC000631833282 372616935 /nfs/dbraw/zinc/61/69/35/372616935.db2.gz XFZNASFMJUTFRW-LBPRGKRZSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000631837791 372628599 /nfs/dbraw/zinc/62/85/99/372628599.db2.gz WYEZSTRLFDTPHY-OUAUKWLOSA-N 1 3 232.318 1.948 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000631837791 372628604 /nfs/dbraw/zinc/62/86/04/372628604.db2.gz WYEZSTRLFDTPHY-OUAUKWLOSA-N 1 3 232.318 1.948 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000631837788 372628731 /nfs/dbraw/zinc/62/87/31/372628731.db2.gz WYEZSTRLFDTPHY-GMTAPVOTSA-N 1 3 232.318 1.948 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1CN ZINC000631837788 372628736 /nfs/dbraw/zinc/62/87/36/372628736.db2.gz WYEZSTRLFDTPHY-GMTAPVOTSA-N 1 3 232.318 1.948 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631842783 372641518 /nfs/dbraw/zinc/64/15/18/372641518.db2.gz FSDDHOORHKTCAZ-GXTWGEPZSA-N 1 3 248.370 1.764 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@H](C)[C@H](CN)C2)cc1 ZINC000631842783 372641521 /nfs/dbraw/zinc/64/15/21/372641521.db2.gz FSDDHOORHKTCAZ-GXTWGEPZSA-N 1 3 248.370 1.764 20 0 BDADHO COc1ccc(CCN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000631842783 372641524 /nfs/dbraw/zinc/64/15/24/372641524.db2.gz FSDDHOORHKTCAZ-GXTWGEPZSA-N 1 3 248.370 1.764 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@H](N)C[C@@H]2C)cc1 ZINC000631857929 372656643 /nfs/dbraw/zinc/65/66/43/372656643.db2.gz PAESEZHCAOZBJP-WCQYABFASA-N 1 3 234.343 1.659 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@H](N)C[C@@H]2C)cc1 ZINC000631857929 372656647 /nfs/dbraw/zinc/65/66/47/372656647.db2.gz PAESEZHCAOZBJP-WCQYABFASA-N 1 3 234.343 1.659 20 0 BDADHO COC1(C[NH2+][C@@H]2CCNC[C@H]2C)CCCC1 ZINC000381604585 374134851 /nfs/dbraw/zinc/13/48/51/374134851.db2.gz PMZFXKROUKRXCD-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO COC1(CN[C@@H]2CC[NH2+]C[C@H]2C)CCCC1 ZINC000381604585 374134855 /nfs/dbraw/zinc/13/48/55/374134855.db2.gz PMZFXKROUKRXCD-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)O)C[C@@H]1C ZINC000336691408 170018863 /nfs/dbraw/zinc/01/88/63/170018863.db2.gz LNZMECABCNOBID-SRVKXCTJSA-N 1 3 214.353 1.172 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166741106 206142305 /nfs/dbraw/zinc/14/23/05/206142305.db2.gz RDQLCMQNZNHFCR-ZDUSSCGKSA-N 1 3 249.358 1.467 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(N)CCCC1 ZINC000178412115 134310139 /nfs/dbraw/zinc/31/01/39/134310139.db2.gz BUPISUXZQQJJTB-LLVKDONJSA-N 1 3 241.379 1.090 20 0 BDADHO OCC[N@H+](C[C@H]1CCCNC1)C1CCCCC1 ZINC000132298775 183067809 /nfs/dbraw/zinc/06/78/09/183067809.db2.gz REWYRPBOHJOMDU-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO OCC[N@@H+](C[C@H]1CCCNC1)C1CCCCC1 ZINC000132298775 183067811 /nfs/dbraw/zinc/06/78/11/183067811.db2.gz REWYRPBOHJOMDU-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO CCCC[C@H](COC)NC[C@H](C)C[NH+](C)C ZINC000336676659 169005125 /nfs/dbraw/zinc/00/51/25/169005125.db2.gz BVTGXGPTCVMQMJ-QWHCGFSZSA-N 1 3 230.396 1.979 20 0 BDADHO CCCN(C)CC(=O)NCCC[NH+](CC)CC ZINC000355477126 169069577 /nfs/dbraw/zinc/06/95/77/169069577.db2.gz YCIYRIJVMHUUGM-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)[C@H](CC)N(C)C ZINC000120892437 169121241 /nfs/dbraw/zinc/12/12/41/169121241.db2.gz GFSDHEMPCHSARK-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)[C@H](CC)N(C)C ZINC000120892437 169121243 /nfs/dbraw/zinc/12/12/43/169121243.db2.gz GFSDHEMPCHSARK-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[NH+]1CCC(N(C)CC[C@H](C)O)CC1 ZINC000336684821 169187120 /nfs/dbraw/zinc/18/71/20/169187120.db2.gz VDIZAVFIENUNBF-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[NH+]1CCC(N[C@@H](C)COCC)CC1 ZINC000044688349 169190248 /nfs/dbraw/zinc/19/02/48/169190248.db2.gz BUBKEEBPLMAWAL-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO c1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000250197604 183338709 /nfs/dbraw/zinc/33/87/09/183338709.db2.gz ZBIOELPCFAJBEO-CABCVRRESA-N 1 3 245.370 1.841 20 0 BDADHO c1cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000250197604 183338711 /nfs/dbraw/zinc/33/87/11/183338711.db2.gz ZBIOELPCFAJBEO-CABCVRRESA-N 1 3 245.370 1.841 20 0 BDADHO c1cc(CNC2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000080773704 183349246 /nfs/dbraw/zinc/34/92/46/183349246.db2.gz CGPIPRDIGOYKFE-UHFFFAOYSA-N 1 3 219.332 1.731 20 0 BDADHO CCCNCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000053388057 169260390 /nfs/dbraw/zinc/26/03/90/169260390.db2.gz CPFHRYKXPXLIIB-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO CC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220946870 134315323 /nfs/dbraw/zinc/31/53/23/134315323.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO COC1CC([NH2+]C[C@@H](C)CN2CCCC2)C1 ZINC000220848214 134316088 /nfs/dbraw/zinc/31/60/88/134316088.db2.gz FARXIMWWTHIMRS-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO COC1CC(NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000220848214 134316089 /nfs/dbraw/zinc/31/60/89/134316089.db2.gz FARXIMWWTHIMRS-PNESKVBLSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036872643 169389971 /nfs/dbraw/zinc/38/99/71/169389971.db2.gz XOOMUUQWABAWOQ-GFCCVEGCSA-N 1 3 243.395 1.349 20 0 BDADHO CCC[C@@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000036873143 169389131 /nfs/dbraw/zinc/38/91/31/169389131.db2.gz UEAMELYAYOWFFO-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000313090359 383866858 /nfs/dbraw/zinc/86/68/58/383866858.db2.gz ACQLIBKQBBEQLB-XUXIUFHCSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000313090359 383866860 /nfs/dbraw/zinc/86/68/60/383866860.db2.gz ACQLIBKQBBEQLB-XUXIUFHCSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@@H]([NH2+][C@H]1CCCNCC1)[C@@H](O)CC ZINC000313106216 383886462 /nfs/dbraw/zinc/88/64/62/383886462.db2.gz XPMLWVKRLOQLHI-TUAOUCFPSA-N 1 3 214.353 1.268 20 0 BDADHO CC[C@@H](N[C@H]1CCC[NH2+]CC1)[C@@H](O)CC ZINC000313106216 383886468 /nfs/dbraw/zinc/88/64/68/383886468.db2.gz XPMLWVKRLOQLHI-TUAOUCFPSA-N 1 3 214.353 1.268 20 0 BDADHO C[NH+]1CCC(CCN[C@H]2CCn3ccnc32)CC1 ZINC000345351995 383945849 /nfs/dbraw/zinc/94/58/49/383945849.db2.gz PJZUEEBQRHIVJO-ZDUSSCGKSA-N 1 3 248.374 1.649 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546757 384018075 /nfs/dbraw/zinc/01/80/75/384018075.db2.gz UNQZLSVPRYLOEF-AGIUHOORSA-N 1 3 237.391 1.201 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccccc2O)C1 ZINC000518564399 384013940 /nfs/dbraw/zinc/01/39/40/384013940.db2.gz OCHCPCGKGAKXFA-STQMWFEESA-N 1 3 234.343 1.794 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000518564399 384013948 /nfs/dbraw/zinc/01/39/48/384013948.db2.gz OCHCPCGKGAKXFA-STQMWFEESA-N 1 3 234.343 1.794 20 0 BDADHO C[C@@H]1C[C@@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000401800782 384040771 /nfs/dbraw/zinc/04/07/71/384040771.db2.gz TTXPQCBIOMDRNU-GHMZBOCLSA-N 1 3 214.353 1.341 20 0 BDADHO CCOC[C@@H]1CCCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000313216726 384055123 /nfs/dbraw/zinc/05/51/23/384055123.db2.gz RSTMMMSNHRYIDJ-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCOc2ccccc2)C1 ZINC000163205842 384165359 /nfs/dbraw/zinc/16/53/59/384165359.db2.gz UWJSIAYIXWCVSO-STQMWFEESA-N 1 3 234.343 1.735 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000400960422 533049445 /nfs/dbraw/zinc/04/94/45/533049445.db2.gz INNYHZYVRXJAGD-FUNVUKJBSA-N 1 3 224.348 1.380 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000400960422 533049450 /nfs/dbraw/zinc/04/94/50/533049450.db2.gz INNYHZYVRXJAGD-FUNVUKJBSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000082645459 384252847 /nfs/dbraw/zinc/25/28/47/384252847.db2.gz KNYZEJJRHDJDDL-SRVKXCTJSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000082645459 384252850 /nfs/dbraw/zinc/25/28/50/384252850.db2.gz KNYZEJJRHDJDDL-SRVKXCTJSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]([NH2+]CCc1cn(C)cn1)[C@@H]1CCCCN1 ZINC000313309631 384253403 /nfs/dbraw/zinc/25/34/03/384253403.db2.gz VMFFHLQLOKXFQG-AAEUAGOBSA-N 1 3 236.363 1.083 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000173903234 384284724 /nfs/dbraw/zinc/28/47/24/384284724.db2.gz GVLWVAGJDOGKSV-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000173903234 384284730 /nfs/dbraw/zinc/28/47/30/384284730.db2.gz GVLWVAGJDOGKSV-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO Cc1csc(CNCC[C@H]2CC[NH2+]C2)n1 ZINC000084385333 384392285 /nfs/dbraw/zinc/39/22/85/384392285.db2.gz MBYHMMIHECFSRX-SNVBAGLBSA-N 1 3 225.361 1.541 20 0 BDADHO COCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000647513977 384428035 /nfs/dbraw/zinc/42/80/35/384428035.db2.gz ZLYGULLJDAXEEN-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO COCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC000647513977 384428044 /nfs/dbraw/zinc/42/80/44/384428044.db2.gz ZLYGULLJDAXEEN-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)(C)CN(CCO)C[C@]1(C)CC[NH2+]C1 ZINC000647515737 384458399 /nfs/dbraw/zinc/45/83/99/384458399.db2.gz GUFUAUFVDFCDFO-CYBMUJFWSA-N 1 3 228.380 1.326 20 0 BDADHO CC(C)([NH3+])CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000648146990 384500398 /nfs/dbraw/zinc/50/03/98/384500398.db2.gz OLQIONBOOUTUMJ-UHFFFAOYSA-N 1 3 247.342 1.746 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCCOC1 ZINC000161723139 384519226 /nfs/dbraw/zinc/51/92/26/384519226.db2.gz OQRWKVHAZRFHTH-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCCOC1 ZINC000161723139 384519230 /nfs/dbraw/zinc/51/92/30/384519230.db2.gz OQRWKVHAZRFHTH-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCC1CC([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000309704400 384549332 /nfs/dbraw/zinc/54/93/32/384549332.db2.gz NVIHAAHTSZIXJB-UHFFFAOYSA-N 1 3 226.364 1.221 20 0 BDADHO CCN1CCN(CCC[NH2+][C@H](C)C(C)C)CC1 ZINC000154247817 384596945 /nfs/dbraw/zinc/59/69/45/384596945.db2.gz UGMLXPVQODAJST-CQSZACIVSA-N 1 3 241.423 1.648 20 0 BDADHO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336656856 384659437 /nfs/dbraw/zinc/65/94/37/384659437.db2.gz ANCOQNSZEHKFJB-GHMZBOCLSA-N 1 3 216.369 1.587 20 0 BDADHO C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N1CCCCCC1 ZINC000449604760 384695095 /nfs/dbraw/zinc/69/50/95/384695095.db2.gz UPEILVXZBCFEJI-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](CO)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300413371 384775297 /nfs/dbraw/zinc/77/52/97/384775297.db2.gz BFEBXNJHRLCPOD-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300413371 384775307 /nfs/dbraw/zinc/77/53/07/384775307.db2.gz BFEBXNJHRLCPOD-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000300413371 384775316 /nfs/dbraw/zinc/77/53/16/384775316.db2.gz BFEBXNJHRLCPOD-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](NCC2(CCO)CCCC2)C1 ZINC000647550512 384747401 /nfs/dbraw/zinc/74/74/01/384747401.db2.gz VHYHAURSUDPQMW-QWHCGFSZSA-N 1 3 240.391 1.517 20 0 BDADHO Cc1nc2ccccn2c1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000518185874 384780222 /nfs/dbraw/zinc/78/02/22/384780222.db2.gz URQLVXULYGDVHE-QWRGUYRKSA-N 1 3 246.358 1.858 20 0 BDADHO C[C@H]1CC2(C[N@@H+]1CCCN)CCOCC2 ZINC000647553103 384764099 /nfs/dbraw/zinc/76/40/99/384764099.db2.gz AZFFCUFVKWZNRK-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO C[C@H]1CC2(C[N@H+]1CCCN)CCOCC2 ZINC000647553103 384764102 /nfs/dbraw/zinc/76/41/02/384764102.db2.gz AZFFCUFVKWZNRK-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1CC2(CN1CC(C)(C)[NH3+])CCOCC2 ZINC000647553207 384769160 /nfs/dbraw/zinc/76/91/60/384769160.db2.gz IXLKMDGTGAFVDI-LLVKDONJSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398184694 384833016 /nfs/dbraw/zinc/83/30/16/384833016.db2.gz ILEDWMWURYAKEZ-IPYPFGDCSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398184694 384833022 /nfs/dbraw/zinc/83/30/22/384833022.db2.gz ILEDWMWURYAKEZ-IPYPFGDCSA-N 1 3 247.386 1.586 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581141698 384793951 /nfs/dbraw/zinc/79/39/51/384793951.db2.gz AADXZFJTRMKATR-REWJHTLYSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000126721855 384807489 /nfs/dbraw/zinc/80/74/89/384807489.db2.gz JCVXEOKSMWMAOC-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCCOC1 ZINC000126721855 384807496 /nfs/dbraw/zinc/80/74/96/384807496.db2.gz JCVXEOKSMWMAOC-GRYCIOLGSA-N 1 3 212.337 1.082 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000220666219 384873979 /nfs/dbraw/zinc/87/39/79/384873979.db2.gz PNSFULHJDVNAFF-OUAUKWLOSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCSC2)C1 ZINC000220666219 384873983 /nfs/dbraw/zinc/87/39/83/384873983.db2.gz PNSFULHJDVNAFF-OUAUKWLOSA-N 1 3 214.378 1.742 20 0 BDADHO COC[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000053172510 384887604 /nfs/dbraw/zinc/88/76/04/384887604.db2.gz GKAPOVSMNJARGW-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO C[C@@H]([NH2+]CCOC(F)(F)F)[C@H]1CCCCN1 ZINC000398209396 384844679 /nfs/dbraw/zinc/84/46/79/384844679.db2.gz DCRIHPLZLGOZMT-RKDXNWHRSA-N 1 3 240.269 1.643 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423398881 384853734 /nfs/dbraw/zinc/85/37/34/384853734.db2.gz PCRXSMZIEMODMQ-XEZLXBQYSA-N 1 3 208.349 1.763 20 0 BDADHO Cc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)nc1 ZINC000156598795 384905327 /nfs/dbraw/zinc/90/53/27/384905327.db2.gz CQEHYKVNGBAHPE-GFCCVEGCSA-N 1 3 233.359 1.949 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc(F)c(F)c1 ZINC000258751821 384939585 /nfs/dbraw/zinc/93/95/85/384939585.db2.gz ADFNZPNAWBIPRR-QWHCGFSZSA-N 1 3 240.297 1.977 20 0 BDADHO C[N@H+](CCCN)CCC1CCOCC1 ZINC000258852722 384948606 /nfs/dbraw/zinc/94/86/06/384948606.db2.gz XRQYUPBORAGQGX-UHFFFAOYSA-N 1 3 200.326 1.084 20 0 BDADHO C[N@@H+](CCCN)CCC1CCOCC1 ZINC000258852722 384948610 /nfs/dbraw/zinc/94/86/10/384948610.db2.gz XRQYUPBORAGQGX-UHFFFAOYSA-N 1 3 200.326 1.084 20 0 BDADHO CN(CCC[NH3+])CCC1CCOCC1 ZINC000258852722 384948615 /nfs/dbraw/zinc/94/86/15/384948615.db2.gz XRQYUPBORAGQGX-UHFFFAOYSA-N 1 3 200.326 1.084 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@@H]2CCOC2)[C@@H](C)C1 ZINC000643911625 384987036 /nfs/dbraw/zinc/98/70/36/384987036.db2.gz ZXVVOTLLGNNSHJ-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@@H]2CCOC2)[C@@H](C)C1 ZINC000643911625 384987042 /nfs/dbraw/zinc/98/70/42/384987042.db2.gz ZXVVOTLLGNNSHJ-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO Cc1cc(CNCC2CC[NH+](C)CC2)sn1 ZINC000404420582 384992965 /nfs/dbraw/zinc/99/29/65/384992965.db2.gz RTIDEFUNOPNWSJ-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO C[C@@H](O)CNCC[C@H](C)[NH+]1CCCCC1 ZINC000644621040 385028568 /nfs/dbraw/zinc/02/85/68/385028568.db2.gz OBDAPDYKWACTCN-NWDGAFQWSA-N 1 3 214.353 1.221 20 0 BDADHO C[C@@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000644621040 385028576 /nfs/dbraw/zinc/02/85/76/385028576.db2.gz OBDAPDYKWACTCN-NWDGAFQWSA-N 1 3 214.353 1.221 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCO1 ZINC000157468315 385188539 /nfs/dbraw/zinc/18/85/39/385188539.db2.gz UKGFSANMQHMMEW-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000157468315 385188541 /nfs/dbraw/zinc/18/85/41/385188541.db2.gz UKGFSANMQHMMEW-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000157468315 385188545 /nfs/dbraw/zinc/18/85/45/385188545.db2.gz UKGFSANMQHMMEW-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1ccccn1 ZINC000308858059 385218459 /nfs/dbraw/zinc/21/84/59/385218459.db2.gz OPFOHFKJZQKVIL-NSHDSACASA-N 1 3 207.321 1.689 20 0 BDADHO C[C@H](CN(C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130127140 385222661 /nfs/dbraw/zinc/22/26/61/385222661.db2.gz VFEZPABTLHQQFR-FRRDWIJNSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN(C)C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130127140 385222667 /nfs/dbraw/zinc/22/26/67/385222667.db2.gz VFEZPABTLHQQFR-FRRDWIJNSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1CN ZINC000164648128 385225318 /nfs/dbraw/zinc/22/53/18/385225318.db2.gz BBHURMWWUXPILH-YPMHNXCESA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1CN ZINC000164648128 385225323 /nfs/dbraw/zinc/22/53/23/385225323.db2.gz BBHURMWWUXPILH-YPMHNXCESA-N 1 3 226.364 1.330 20 0 BDADHO C[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1CN ZINC000164648239 385225776 /nfs/dbraw/zinc/22/57/76/385225776.db2.gz BBHURMWWUXPILH-AAEUAGOBSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@H]1CC[N@@H+](CC2CCOCC2)C[C@@H]1CN ZINC000164648239 385225781 /nfs/dbraw/zinc/22/57/81/385225781.db2.gz BBHURMWWUXPILH-AAEUAGOBSA-N 1 3 226.364 1.330 20 0 BDADHO CC(C)[C@H]1CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000108324001 385232363 /nfs/dbraw/zinc/23/23/63/385232363.db2.gz CGECBUXDRCIOCS-OLZOCXBDSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)[C@H]1CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000108324001 385232368 /nfs/dbraw/zinc/23/23/68/385232368.db2.gz CGECBUXDRCIOCS-OLZOCXBDSA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)([NH3+])CC(=O)Nc1ccc2c(c1)CNC2 ZINC000647076295 385233790 /nfs/dbraw/zinc/23/37/90/385233790.db2.gz IMQCCEDOIKWPQE-UHFFFAOYSA-N 1 3 233.315 1.356 20 0 BDADHO COC[C@H](CC(C)C)NCCC[NH+](C)C ZINC000308918761 385292113 /nfs/dbraw/zinc/29/21/13/385292113.db2.gz GOWIZWLOELRDHZ-LBPRGKRZSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)CN(C)C ZINC000308925288 385296508 /nfs/dbraw/zinc/29/65/08/385296508.db2.gz PYIILOZQSVLNAV-IJLUTSLNSA-N 1 3 214.353 1.199 20 0 BDADHO CN1C[C@@H]2CC[N@H+](CC[C@@H]3CCCN3C)[C@@H]2C1 ZINC000644736173 385364793 /nfs/dbraw/zinc/36/47/93/385364793.db2.gz HQXNIVBQIYDOBU-MELADBBJSA-N 1 3 237.391 1.107 20 0 BDADHO CN1C[C@@H]2CC[N@@H+](CC[C@@H]3CCCN3C)[C@@H]2C1 ZINC000644736173 385364796 /nfs/dbraw/zinc/36/47/96/385364796.db2.gz HQXNIVBQIYDOBU-MELADBBJSA-N 1 3 237.391 1.107 20 0 BDADHO C[C@H]1C[C@H](NCCOC(F)(F)F)CC[N@@H+]1C ZINC000158225908 385370766 /nfs/dbraw/zinc/37/07/66/385370766.db2.gz YZMAXNISVMVEHE-DTWKUNHWSA-N 1 3 240.269 1.595 20 0 BDADHO C[C@H]1C[C@H](NCCOC(F)(F)F)CC[N@H+]1C ZINC000158225908 385370769 /nfs/dbraw/zinc/37/07/69/385370769.db2.gz YZMAXNISVMVEHE-DTWKUNHWSA-N 1 3 240.269 1.595 20 0 BDADHO CC[C@H]1CN(CC(C)(C)COC)CC[C@H]1[NH3+] ZINC000647497867 385408077 /nfs/dbraw/zinc/40/80/77/385408077.db2.gz YLSMGJYOPYQVMY-NWDGAFQWSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@H]1C[N@H+](CC(C)(C)COC)CC[C@H]1N ZINC000647497867 385408080 /nfs/dbraw/zinc/40/80/80/385408080.db2.gz YLSMGJYOPYQVMY-NWDGAFQWSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@H]1C[N@@H+](CC(C)(C)COC)CC[C@H]1N ZINC000647497867 385408082 /nfs/dbraw/zinc/40/80/82/385408082.db2.gz YLSMGJYOPYQVMY-NWDGAFQWSA-N 1 3 228.380 1.718 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000156176994 385440303 /nfs/dbraw/zinc/44/03/03/385440303.db2.gz AAPWCFGKKRMBMA-OAHLLOKOSA-N 1 3 248.370 1.562 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000156176994 385440306 /nfs/dbraw/zinc/44/03/06/385440306.db2.gz AAPWCFGKKRMBMA-OAHLLOKOSA-N 1 3 248.370 1.562 20 0 BDADHO Cc1cc(CN2CCC([C@@H](C)[NH3+])CC2)on1 ZINC000082475052 385551946 /nfs/dbraw/zinc/55/19/46/385551946.db2.gz ZPEYXGNAXDTMGY-SNVBAGLBSA-N 1 3 223.320 1.542 20 0 BDADHO C[C@H](O)CCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000309409203 385572202 /nfs/dbraw/zinc/57/22/02/385572202.db2.gz WJTIXTVFACKOHE-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](O)CCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000309409203 385572206 /nfs/dbraw/zinc/57/22/06/385572206.db2.gz WJTIXTVFACKOHE-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251149566 385616242 /nfs/dbraw/zinc/61/62/42/385616242.db2.gz XYAFZZISIRAAQK-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000414849235 385626011 /nfs/dbraw/zinc/62/60/11/385626011.db2.gz XUFOTTJCUFPJII-RVMXOQNASA-N 1 3 240.391 1.635 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000414849235 385626016 /nfs/dbraw/zinc/62/60/16/385626016.db2.gz XUFOTTJCUFPJII-RVMXOQNASA-N 1 3 240.391 1.635 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H]1CCCN1)CC1CCOCC1 ZINC000414850472 385638286 /nfs/dbraw/zinc/63/82/86/385638286.db2.gz SHRLEYMFSTUVTP-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO CCCCN1CCCC[C@H]1CNC(N)=[NH2+] ZINC000340034333 385690744 /nfs/dbraw/zinc/69/07/44/385690744.db2.gz UATLUSYAJJHBPJ-JTQLQIEISA-N 1 3 212.341 1.124 20 0 BDADHO C(N[C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854422 385693273 /nfs/dbraw/zinc/69/32/73/385693273.db2.gz ZJOAPICCBKXLBZ-YNEHKIRRSA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCN1 ZINC000414854422 385693275 /nfs/dbraw/zinc/69/32/75/385693275.db2.gz ZJOAPICCBKXLBZ-YNEHKIRRSA-N 1 3 208.349 1.907 20 0 BDADHO CNCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414856487 385713711 /nfs/dbraw/zinc/71/37/11/385713711.db2.gz ALUHQBLHWUDWMW-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]CCCN[C@H]1CCO[C@H](C(C)C)C1 ZINC000414856487 385713713 /nfs/dbraw/zinc/71/37/13/385713713.db2.gz ALUHQBLHWUDWMW-RYUDHWBXSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1CCNC[C@H]1C ZINC000414948158 385808050 /nfs/dbraw/zinc/80/80/50/385808050.db2.gz XUMPLQKEQJNHIP-BZPMIXESSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)CC(F)F ZINC000647800729 385810166 /nfs/dbraw/zinc/81/01/66/385810166.db2.gz JOGRKBWZJBKVSL-SFYZADRCSA-N 1 3 206.280 1.475 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCNC[C@@H]2C)CCO1 ZINC000414950197 385817475 /nfs/dbraw/zinc/81/74/75/385817475.db2.gz FZXMFPLQYGYRMW-DGAVXFQQSA-N 1 3 240.391 1.779 20 0 BDADHO Cc1c[nH+]ccc1NCCN1CC=CCC1 ZINC000336740979 385836205 /nfs/dbraw/zinc/83/62/05/385836205.db2.gz QOLOLRIVAOMTID-UHFFFAOYSA-N 1 3 217.316 1.486 20 0 BDADHO C[C@H](C[NH3+])CNCc1c[nH]nc1-c1ccccc1 ZINC000414869593 385837613 /nfs/dbraw/zinc/83/76/13/385837613.db2.gz ASDWEOYFYAENNO-LLVKDONJSA-N 1 3 244.342 1.761 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccccc1N(C)C ZINC000414874096 385884656 /nfs/dbraw/zinc/88/46/56/385884656.db2.gz IAIGNSQIPZIBRJ-LLVKDONJSA-N 1 3 221.348 1.437 20 0 BDADHO C[C@@H](CN)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414875611 385894808 /nfs/dbraw/zinc/89/48/08/385894808.db2.gz KBERJIHZXKWGIK-LBPRGKRZSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@@H](C[NH3+])CNC/C=C/c1ccccc1 ZINC000414876277 385908228 /nfs/dbraw/zinc/90/82/28/385908228.db2.gz LCAZATUMTDCWLC-ZCRIDZFUSA-N 1 3 204.317 1.884 20 0 BDADHO C[C@@H](C(=O)NCC(C)(C)[NH3+])[C@@H](N)c1ccccc1 ZINC000262651037 385871163 /nfs/dbraw/zinc/87/11/63/385871163.db2.gz VGXPHAQGIJWXOT-ZYHUDNBSSA-N 1 3 249.358 1.176 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCOC1 ZINC000250800512 385927971 /nfs/dbraw/zinc/92/79/71/385927971.db2.gz BIPLKOCMJCGGSZ-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1CCCOC1 ZINC000250800512 385927978 /nfs/dbraw/zinc/92/79/78/385927978.db2.gz BIPLKOCMJCGGSZ-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO [NH3+]C[C@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000647827191 385874909 /nfs/dbraw/zinc/87/49/09/385874909.db2.gz VRZCSGFFYLMHKL-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000647827191 385874911 /nfs/dbraw/zinc/87/49/11/385874911.db2.gz VRZCSGFFYLMHKL-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000647827191 385874916 /nfs/dbraw/zinc/87/49/16/385874916.db2.gz VRZCSGFFYLMHKL-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000335018391 385978766 /nfs/dbraw/zinc/97/87/66/385978766.db2.gz HHVDHACFOSYRIH-KGLIPLIRSA-N 1 3 239.407 1.720 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCCCC[C@@H]2N)CC1 ZINC000335018392 385978895 /nfs/dbraw/zinc/97/88/95/385978895.db2.gz HHVDHACFOSYRIH-UONOGXRCSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C)Cn1cccn1 ZINC000251177948 385934758 /nfs/dbraw/zinc/93/47/58/385934758.db2.gz GOVOFHIXUSQHOE-JHJVBQTASA-N 1 3 236.363 1.392 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)Cn1cccn1 ZINC000251177951 385934911 /nfs/dbraw/zinc/93/49/11/385934911.db2.gz GOVOFHIXUSQHOE-UPJWGTAASA-N 1 3 236.363 1.392 20 0 BDADHO C[C@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251149562 385935639 /nfs/dbraw/zinc/93/56/39/385935639.db2.gz XYAFZZISIRAAQK-UMSGYPCISA-N 1 3 226.364 1.268 20 0 BDADHO CC[NH+](CC)CCCN1C[C@@H](C)N(C)C[C@H]1C ZINC000338287808 385942974 /nfs/dbraw/zinc/94/29/74/385942974.db2.gz WBNAFGNUDADJCC-ZIAGYGMSSA-N 1 3 241.423 1.743 20 0 BDADHO CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000335053673 385954461 /nfs/dbraw/zinc/95/44/61/385954461.db2.gz ZPOKPGKYOGWIPM-GXTWGEPZSA-N 1 3 232.327 1.852 20 0 BDADHO COC[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000336770497 386006920 /nfs/dbraw/zinc/00/69/20/386006920.db2.gz SZDDXKVHMBAKSK-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000336770497 386006926 /nfs/dbraw/zinc/00/69/26/386006926.db2.gz SZDDXKVHMBAKSK-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc(OC(F)F)c1 ZINC000414882360 386010638 /nfs/dbraw/zinc/01/06/38/386010638.db2.gz UDNUJDUTOIJZBL-SECBINFHSA-N 1 3 244.285 1.972 20 0 BDADHO COC1(CN[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000309479939 386013449 /nfs/dbraw/zinc/01/34/49/386013449.db2.gz DEHQTRSFMUJJAQ-GFCCVEGCSA-N 1 3 226.364 1.677 20 0 BDADHO COC1(C[NH2+][C@@H]2CCCNCC2)CCCC1 ZINC000309479939 386013456 /nfs/dbraw/zinc/01/34/56/386013456.db2.gz DEHQTRSFMUJJAQ-GFCCVEGCSA-N 1 3 226.364 1.677 20 0 BDADHO C[C@H](CN)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414884242 386045943 /nfs/dbraw/zinc/04/59/43/386045943.db2.gz VXRPFNAZNVAERO-NWDGAFQWSA-N 1 3 228.380 1.624 20 0 BDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000345316692 386104298 /nfs/dbraw/zinc/10/42/98/386104298.db2.gz ARMXJIPBZMTSTQ-GHMZBOCLSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)CN(C)C ZINC000336738549 386107250 /nfs/dbraw/zinc/10/72/50/386107250.db2.gz KIMDIDOQWFFEDB-JHJVBQTASA-N 1 3 228.380 1.589 20 0 BDADHO CCOc1ccc(C[NH2+]C[C@@H](N)CC)cc1 ZINC000414986665 386114537 /nfs/dbraw/zinc/11/45/37/386114537.db2.gz YBERNONCKMTWKN-LBPRGKRZSA-N 1 3 222.332 1.912 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414983344 386071313 /nfs/dbraw/zinc/07/13/13/386071313.db2.gz TUFREAYMMBAJQW-GFCCVEGCSA-N 1 3 235.331 1.472 20 0 BDADHO C[C@H](CC[NH3+])NCc1ccc(-n2ccnc2)cc1 ZINC000414886364 386074490 /nfs/dbraw/zinc/07/44/90/386074490.db2.gz PVBIXTDWBOCSRG-GFCCVEGCSA-N 1 3 244.342 1.699 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414985699 386098255 /nfs/dbraw/zinc/09/82/55/386098255.db2.gz WRCXULXUFXTMJM-LLVKDONJSA-N 1 3 232.331 1.400 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](CO)C1 ZINC000414662495 386098589 /nfs/dbraw/zinc/09/85/89/386098589.db2.gz ACIPFRRKBQIQHK-NWDGAFQWSA-N 1 3 214.353 1.064 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](CO)C1 ZINC000414662495 386098594 /nfs/dbraw/zinc/09/85/94/386098594.db2.gz ACIPFRRKBQIQHK-NWDGAFQWSA-N 1 3 214.353 1.064 20 0 BDADHO C[N@H+](CCCN1CCCCC1)CC1(CO)CC1 ZINC000190010086 386144720 /nfs/dbraw/zinc/14/47/20/386144720.db2.gz CAVIOSYGCJYJCX-UHFFFAOYSA-N 1 3 240.391 1.567 20 0 BDADHO C[N@@H+](CCCN1CCCCC1)CC1(CO)CC1 ZINC000190010086 386144722 /nfs/dbraw/zinc/14/47/22/386144722.db2.gz CAVIOSYGCJYJCX-UHFFFAOYSA-N 1 3 240.391 1.567 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)N(CC)CC ZINC000346168579 386174489 /nfs/dbraw/zinc/17/44/89/386174489.db2.gz UARYRCQCCIBUIT-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414890420 386127422 /nfs/dbraw/zinc/12/74/22/386127422.db2.gz HHOFCHJDBKVKGO-CQSZACIVSA-N 1 3 247.342 1.472 20 0 BDADHO Cc1ccccc1C[NH2+]C[C@H](N)C1CC1 ZINC000414890498 386134068 /nfs/dbraw/zinc/13/40/68/386134068.db2.gz HKNJKMVKKPVVTN-ZDUSSCGKSA-N 1 3 204.317 1.822 20 0 BDADHO CC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000339012223 386210497 /nfs/dbraw/zinc/21/04/97/386210497.db2.gz WGFRVINCPZRPLK-UPJWGTAASA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000339012223 386210500 /nfs/dbraw/zinc/21/05/00/386210500.db2.gz WGFRVINCPZRPLK-UPJWGTAASA-N 1 3 228.380 1.562 20 0 BDADHO COC(=O)CCC(C)(C)NC[C@H]([NH3+])CC(C)C ZINC000414710522 386224409 /nfs/dbraw/zinc/22/44/09/386224409.db2.gz LDTCCQZMFOJVQS-LLVKDONJSA-N 1 3 244.379 1.681 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000414712059 386228131 /nfs/dbraw/zinc/22/81/31/386228131.db2.gz SGDHCMDKGNSDGM-FRRDWIJNSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000414712059 386228136 /nfs/dbraw/zinc/22/81/36/386228136.db2.gz SGDHCMDKGNSDGM-FRRDWIJNSA-N 1 3 228.380 1.453 20 0 BDADHO C[C@H](Cn1cccn1)NCC[C@H]1CCC[NH2+]1 ZINC000414898511 386230228 /nfs/dbraw/zinc/23/02/28/386230228.db2.gz APGKAQWAUXMHBL-VXGBXAGGSA-N 1 3 222.336 1.003 20 0 BDADHO CCC[C@](C)(CO)NC[C@H]([NH3+])CC(C)C ZINC000414713203 386230309 /nfs/dbraw/zinc/23/03/09/386230309.db2.gz TYFVYYPLPMWDJU-VXGBXAGGSA-N 1 3 216.369 1.501 20 0 BDADHO CCC1(C[N@@H+]2CCC[C@@H](CN)C2)CCOCC1 ZINC000347112650 386231658 /nfs/dbraw/zinc/23/16/58/386231658.db2.gz RFYSPIMRVSRLMI-ZDUSSCGKSA-N 1 3 240.391 1.864 20 0 BDADHO CCC1(C[N@H+]2CCC[C@@H](CN)C2)CCOCC1 ZINC000347112650 386231662 /nfs/dbraw/zinc/23/16/62/386231662.db2.gz RFYSPIMRVSRLMI-ZDUSSCGKSA-N 1 3 240.391 1.864 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000415001968 386238712 /nfs/dbraw/zinc/23/87/12/386238712.db2.gz DAXREGGQXVGSPR-VXGBXAGGSA-N 1 3 244.342 1.698 20 0 BDADHO CCSCC[C@H](C)N(C)CCC[NH3+] ZINC000414698533 386199607 /nfs/dbraw/zinc/19/96/07/386199607.db2.gz CYBUCAFRKPHBQE-JTQLQIEISA-N 1 3 204.383 1.799 20 0 BDADHO CCSCC[C@H](C)[N@H+](C)CCCN ZINC000414698533 386199611 /nfs/dbraw/zinc/19/96/11/386199611.db2.gz CYBUCAFRKPHBQE-JTQLQIEISA-N 1 3 204.383 1.799 20 0 BDADHO CCSCC[C@H](C)[N@@H+](C)CCCN ZINC000414698533 386199615 /nfs/dbraw/zinc/19/96/15/386199615.db2.gz CYBUCAFRKPHBQE-JTQLQIEISA-N 1 3 204.383 1.799 20 0 BDADHO CCOC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647885771 386287246 /nfs/dbraw/zinc/28/72/46/386287246.db2.gz OMXNPAQXFVMKGP-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000414733955 386298781 /nfs/dbraw/zinc/29/87/81/386298781.db2.gz FJQZGHOELFOTIR-MELADBBJSA-N 1 3 241.423 1.774 20 0 BDADHO FCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308452460 386303609 /nfs/dbraw/zinc/30/36/09/386303609.db2.gz CRYZBEVTHKMDRK-QWRGUYRKSA-N 1 3 200.301 1.277 20 0 BDADHO CC(C)[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414736995 386304202 /nfs/dbraw/zinc/30/42/02/386304202.db2.gz ICWVVJNBWRWYQD-MCIONIFRSA-N 1 3 240.391 1.731 20 0 BDADHO COC1CC([NH2+]C[C@H]2CCCN(C(C)C)C2)C1 ZINC000347304597 386307424 /nfs/dbraw/zinc/30/74/24/386307424.db2.gz DJOUNMDALBRJRU-IYXRBSQSSA-N 1 3 240.391 1.874 20 0 BDADHO COC1CC(NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000347304597 386307430 /nfs/dbraw/zinc/30/74/30/386307430.db2.gz DJOUNMDALBRJRU-IYXRBSQSSA-N 1 3 240.391 1.874 20 0 BDADHO COC1CC(NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000347304597 386307434 /nfs/dbraw/zinc/30/74/34/386307434.db2.gz DJOUNMDALBRJRU-IYXRBSQSSA-N 1 3 240.391 1.874 20 0 BDADHO Cc1ccc(O)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000091996158 386319923 /nfs/dbraw/zinc/31/99/23/386319923.db2.gz YOQVYSIBRKWZDV-NEPJUHHUSA-N 1 3 249.358 1.655 20 0 BDADHO CCCN(C[C@H]1CC[NH2+]C1)C[C@H]1CCCCO1 ZINC000647884434 386263182 /nfs/dbraw/zinc/26/31/82/386263182.db2.gz PQXVNODSLGJZMR-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CCOc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414900078 386268784 /nfs/dbraw/zinc/26/87/84/386268784.db2.gz VNGJLTKSQRHYST-AWEZNQCLSA-N 1 3 234.343 1.912 20 0 BDADHO CO[C@H](C)C[N@H+](C)CC[C@H]1CCCN1C ZINC000336682276 386340382 /nfs/dbraw/zinc/34/03/82/386340382.db2.gz JIZAJPNDZDJXSE-VXGBXAGGSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@H](C)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000336682276 386340388 /nfs/dbraw/zinc/34/03/88/386340388.db2.gz JIZAJPNDZDJXSE-VXGBXAGGSA-N 1 3 214.353 1.437 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277172 386341744 /nfs/dbraw/zinc/34/17/44/386341744.db2.gz DCHLUXBCKKIRRF-OLZOCXBDSA-N 1 3 238.375 1.318 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277172 386341752 /nfs/dbraw/zinc/34/17/52/386341752.db2.gz DCHLUXBCKKIRRF-OLZOCXBDSA-N 1 3 238.375 1.318 20 0 BDADHO CC(C)C[C@H](N)C[NH+]1CCC(CCCO)CC1 ZINC000414746632 386347111 /nfs/dbraw/zinc/34/71/11/386347111.db2.gz SNSVICWDPOLZRH-AWEZNQCLSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H](Cn1cccn1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414905088 386352755 /nfs/dbraw/zinc/35/27/55/386352755.db2.gz LDYPBXAAQLCJPO-QWHCGFSZSA-N 1 3 236.363 1.251 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414905088 386352762 /nfs/dbraw/zinc/35/27/62/386352762.db2.gz LDYPBXAAQLCJPO-QWHCGFSZSA-N 1 3 236.363 1.251 20 0 BDADHO C[C@H](Cn1cccn1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414905087 386353115 /nfs/dbraw/zinc/35/31/15/386353115.db2.gz LDYPBXAAQLCJPO-OLZOCXBDSA-N 1 3 236.363 1.251 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414905087 386353118 /nfs/dbraw/zinc/35/31/18/386353118.db2.gz LDYPBXAAQLCJPO-OLZOCXBDSA-N 1 3 236.363 1.251 20 0 BDADHO CC[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(CC)CC ZINC000347362630 386364533 /nfs/dbraw/zinc/36/45/33/386364533.db2.gz CJMUAVZVOHSXMF-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000133949375 386381641 /nfs/dbraw/zinc/38/16/41/386381641.db2.gz ORMBNPHRGQLUEQ-QWRGUYRKSA-N 1 3 249.358 1.670 20 0 BDADHO COC(C)(C)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336775429 386384288 /nfs/dbraw/zinc/38/42/88/386384288.db2.gz YZUIXHAZRZOFEI-NSHDSACASA-N 1 3 226.364 1.651 20 0 BDADHO CN(C)CCOc1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC000094079799 386444537 /nfs/dbraw/zinc/44/45/37/386444537.db2.gz BXXVKEAEOTYRJY-ZDUSSCGKSA-N 1 3 249.358 1.401 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536150 386480275 /nfs/dbraw/zinc/48/02/75/386480275.db2.gz JBWQCSNDUIPBKT-CHWSQXEVSA-N 1 3 240.391 1.754 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](NCC2(O)CCCC2)C1 ZINC000519536150 386480278 /nfs/dbraw/zinc/48/02/78/386480278.db2.gz JBWQCSNDUIPBKT-CHWSQXEVSA-N 1 3 240.391 1.754 20 0 BDADHO C(CC1CCCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020378 386509202 /nfs/dbraw/zinc/50/92/02/386509202.db2.gz ASDJGOPBIZZHHZ-ITGUQSILSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]CC[C@@H]1CCCN1C ZINC000340371809 386515684 /nfs/dbraw/zinc/51/56/84/386515684.db2.gz QDYOJEIWTKMTRF-STQMWFEESA-N 1 3 236.363 1.346 20 0 BDADHO C[C@@H](Cn1cccn1)NCC[C@@H]1CCC[N@@H+]1C ZINC000340371809 386515689 /nfs/dbraw/zinc/51/56/89/386515689.db2.gz QDYOJEIWTKMTRF-STQMWFEESA-N 1 3 236.363 1.346 20 0 BDADHO C[C@@H](Cn1cccn1)NCC[C@@H]1CCC[N@H+]1C ZINC000340371809 386515693 /nfs/dbraw/zinc/51/56/93/386515693.db2.gz QDYOJEIWTKMTRF-STQMWFEESA-N 1 3 236.363 1.346 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415028046 386517131 /nfs/dbraw/zinc/51/71/31/386517131.db2.gz BYBSCXHWPJXKLS-GHMZBOCLSA-N 1 3 235.331 1.313 20 0 BDADHO CC(C)CC[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000415033170 386520996 /nfs/dbraw/zinc/52/09/96/386520996.db2.gz GQIIZVIDJNEAJK-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO c1ccc([C@@H]2C[C@H]2CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415037298 386523303 /nfs/dbraw/zinc/52/33/03/386523303.db2.gz MYAXJIJJFPARRU-BTFPBAQTSA-N 1 3 228.339 1.598 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]C[C@@H]1CNCCCO1 ZINC000415043958 386530408 /nfs/dbraw/zinc/53/04/08/386530408.db2.gz RSPJLMQDPIJEGR-STQMWFEESA-N 1 3 244.379 1.016 20 0 BDADHO C[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1C ZINC000415036445 386525136 /nfs/dbraw/zinc/52/51/36/386525136.db2.gz LUAPEEWCPHQXMW-XARVFOJUSA-N 1 3 208.349 1.619 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000300376596 386592465 /nfs/dbraw/zinc/59/24/65/386592465.db2.gz LWYXLIKNPJKLRU-AGIUHOORSA-N 1 3 228.380 1.502 20 0 BDADHO CCCC[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000442713475 386530994 /nfs/dbraw/zinc/53/09/94/386530994.db2.gz IFGODFYIUHMOQV-LLVKDONJSA-N 1 3 241.379 1.282 20 0 BDADHO C[C@H](CC[N@H+](CCN)CCO)c1ccccc1 ZINC000414917227 386532339 /nfs/dbraw/zinc/53/23/39/386532339.db2.gz VGVHJDWDCPYGCQ-CYBMUJFWSA-N 1 3 236.359 1.433 20 0 BDADHO C[C@H](CC[N@@H+](CCN)CCO)c1ccccc1 ZINC000414917227 386532342 /nfs/dbraw/zinc/53/23/42/386532342.db2.gz VGVHJDWDCPYGCQ-CYBMUJFWSA-N 1 3 236.359 1.433 20 0 BDADHO C[C@H](c1ccccc1)[C@H](C)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046626 386532686 /nfs/dbraw/zinc/53/26/86/386532686.db2.gz XQRYLJLGGCXITH-XSXPHNMFSA-N 1 3 230.355 1.986 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415064565 386543509 /nfs/dbraw/zinc/54/35/09/386543509.db2.gz KZRIDLSGNUSPAC-YPMHNXCESA-N 1 3 236.363 1.379 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CCc2cccnc2)C1 ZINC000063223657 386546805 /nfs/dbraw/zinc/54/68/05/386546805.db2.gz GUABTRQUMUCCHV-ZDUSSCGKSA-N 1 3 219.332 1.295 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]CCCNC2CC2)CCO1 ZINC000415066936 386548663 /nfs/dbraw/zinc/54/86/63/386548663.db2.gz JQTTUBCWHKSOQD-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415069918 386551242 /nfs/dbraw/zinc/55/12/42/386551242.db2.gz XYFLUWPEFCXDKX-HKLHZYFVSA-N 1 3 208.349 1.619 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000308558511 386559494 /nfs/dbraw/zinc/55/94/94/386559494.db2.gz CRYLTDSEBFSGST-GMTAPVOTSA-N 1 3 202.342 1.197 20 0 BDADHO CC(C)[C@H](N)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414793229 386563019 /nfs/dbraw/zinc/56/30/19/386563019.db2.gz JZBZGPWIRJNZJD-GFCCVEGCSA-N 1 3 246.358 1.646 20 0 BDADHO CC(C)(N)C[NH2+]CCOc1ccc(F)cc1F ZINC000415076064 386571503 /nfs/dbraw/zinc/57/15/03/386571503.db2.gz CFNDCKDSCICGOP-UHFFFAOYSA-N 1 3 244.285 1.671 20 0 BDADHO COc1cccc2c1CC[C@H](NCC(C)(C)[NH3+])C2 ZINC000414811720 386628708 /nfs/dbraw/zinc/62/87/08/386628708.db2.gz ZWBNPENHQOUNLI-LBPRGKRZSA-N 1 3 248.370 1.879 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CCCSC1 ZINC000414810417 386631731 /nfs/dbraw/zinc/63/17/31/386631731.db2.gz NWAGVRGZJBSEQZ-SNVBAGLBSA-N 1 3 216.394 1.989 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](C)COCC ZINC000414816339 386645803 /nfs/dbraw/zinc/64/58/03/386645803.db2.gz PMJXYLPSGDOHAW-GHMZBOCLSA-N 1 3 202.342 1.519 20 0 BDADHO C[C@H](C[NH3+])N[C@@H](C)Cc1ccccc1F ZINC000414925665 386651041 /nfs/dbraw/zinc/65/10/41/386651041.db2.gz IYFHXFVVECQTHX-VHSXEESVSA-N 1 3 210.296 1.694 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000414803264 386600030 /nfs/dbraw/zinc/60/00/30/386600030.db2.gz NLCXHUVRXKGLRB-YWPUVAFDSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](NCCC[NH3+])c1cccc(-n2cccn2)c1 ZINC000415082397 386600296 /nfs/dbraw/zinc/60/02/96/386600296.db2.gz LYUBNYBFPWYITC-GFCCVEGCSA-N 1 3 244.342 1.872 20 0 BDADHO C(N[C@@H]1CCCC12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335487426 386603692 /nfs/dbraw/zinc/60/36/92/386603692.db2.gz JWJMEFRIUYOTTE-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO COC[C@@H](CC(C)C)N[C@H](C[NH3+])C1CC1 ZINC000414805707 386606672 /nfs/dbraw/zinc/60/66/72/386606672.db2.gz MKLXDWBAKVTFQP-VXGBXAGGSA-N 1 3 214.353 1.374 20 0 BDADHO C([NH2+][C@H]1CCC12CCC2)[C@H]1CNCCCO1 ZINC000335489390 386607613 /nfs/dbraw/zinc/60/76/13/386607613.db2.gz VLJHLKIBNXEJSO-NEPJUHHUSA-N 1 3 224.348 1.287 20 0 BDADHO C(N[C@H]1CCC12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000335489390 386607618 /nfs/dbraw/zinc/60/76/18/386607618.db2.gz VLJHLKIBNXEJSO-NEPJUHHUSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CCOCC1 ZINC000415093231 386612520 /nfs/dbraw/zinc/61/25/20/386612520.db2.gz UUNIPZKUVZDQST-OBJOEFQTSA-N 1 3 240.391 1.779 20 0 BDADHO COC(=O)C1(CN[C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415108897 386617491 /nfs/dbraw/zinc/61/74/91/386617491.db2.gz QVMYYOFKQKJCCW-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO CCCC[C@H](CN)[NH2+]Cc1cccnc1 ZINC000414819694 386660412 /nfs/dbraw/zinc/66/04/12/386660412.db2.gz ZJMWLHJFVAURCW-GFCCVEGCSA-N 1 3 207.321 1.689 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CC[C@H]2CC[NH2+]C2)n1 ZINC000414831292 386708939 /nfs/dbraw/zinc/70/89/39/386708939.db2.gz NATFKMGRYKKYRG-LLVKDONJSA-N 1 3 235.331 1.185 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCNC2)CCO1 ZINC000414831097 386708976 /nfs/dbraw/zinc/70/89/76/386708976.db2.gz PMYCZCLQALARBV-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414926990 386685636 /nfs/dbraw/zinc/68/56/36/386685636.db2.gz KODUQBAEAAICHC-UMVBOHGHSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414926990 386685642 /nfs/dbraw/zinc/68/56/42/386685642.db2.gz KODUQBAEAAICHC-UMVBOHGHSA-N 1 3 247.386 1.759 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000520604818 386703187 /nfs/dbraw/zinc/70/31/87/386703187.db2.gz YVXCUWWQPXFQCO-VXGBXAGGSA-N 1 3 242.363 1.531 20 0 BDADHO Cn1nccc1C[NH2+][C@H](CN)C1CCCCC1 ZINC000414830059 386707326 /nfs/dbraw/zinc/70/73/26/386707326.db2.gz ALGVHUCAJIWQNH-CYBMUJFWSA-N 1 3 236.363 1.417 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@H](C)[C@H](N)C2)cn1 ZINC000340690326 386715742 /nfs/dbraw/zinc/71/57/42/386715742.db2.gz KZVFFXKSFQVWME-SMDDNHRTSA-N 1 3 233.359 1.602 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@H](C)[C@H](N)C2)cn1 ZINC000340690326 386715746 /nfs/dbraw/zinc/71/57/46/386715746.db2.gz KZVFFXKSFQVWME-SMDDNHRTSA-N 1 3 233.359 1.602 20 0 BDADHO C[NH2+]CCN[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000414832001 386718292 /nfs/dbraw/zinc/71/82/92/386718292.db2.gz QNEACCHZDQEMGV-HIFRSBDPSA-N 1 3 247.386 1.316 20 0 BDADHO C[NH2+]CCNC[C@H](C)CC1CCOCC1 ZINC000414835567 386726858 /nfs/dbraw/zinc/72/68/58/386726858.db2.gz VDPWBGCXZIOYFZ-LLVKDONJSA-N 1 3 214.353 1.248 20 0 BDADHO CN(CC[NH3+])C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000417836318 386795291 /nfs/dbraw/zinc/79/52/91/386795291.db2.gz LLXNCIPZRIBXNM-LBPRGKRZSA-N 1 3 249.358 1.130 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCOC1 ZINC000396601779 386785852 /nfs/dbraw/zinc/78/58/52/386785852.db2.gz NIASZBCYGJDHRV-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCOC1 ZINC000396601202 386786989 /nfs/dbraw/zinc/78/69/89/386786989.db2.gz NIASZBCYGJDHRV-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO Cc1sccc1CNCCOCC[NH+](C)C ZINC000336672467 386823414 /nfs/dbraw/zinc/82/34/14/386823414.db2.gz STFIZPBAARWDQX-UHFFFAOYSA-N 1 3 242.388 1.724 20 0 BDADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417858239 386804092 /nfs/dbraw/zinc/80/40/92/386804092.db2.gz UWAKKMFHLQMCNF-UTUOFQBUSA-N 1 3 241.379 1.008 20 0 BDADHO Cc1ccc(CCCN[C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414935864 386824380 /nfs/dbraw/zinc/82/43/80/386824380.db2.gz UTIKIPYWKOLSDX-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488555 386833194 /nfs/dbraw/zinc/83/31/94/386833194.db2.gz PUXUXUZWSPHCIN-RFQIPJPRSA-N 1 3 240.391 1.658 20 0 BDADHO c1ccc2c(c1)CC[C@@H]([NH2+]C1CCNCC1)C2 ZINC000051631063 386834946 /nfs/dbraw/zinc/83/49/46/386834946.db2.gz PJNFIJJDTKSKLA-OAHLLOKOSA-N 1 3 230.355 1.886 20 0 BDADHO c1ccc2c(c1)CC[C@@H](NC1CC[NH2+]CC1)C2 ZINC000051631063 386834958 /nfs/dbraw/zinc/83/49/58/386834958.db2.gz PJNFIJJDTKSKLA-OAHLLOKOSA-N 1 3 230.355 1.886 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC1(C)C)CN1CCCC1 ZINC000328275051 386841585 /nfs/dbraw/zinc/84/15/85/386841585.db2.gz XMTGTWIUZOZKDS-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@H]1CCOC1(C)C)C[NH+]1CCCC1 ZINC000328275051 386841586 /nfs/dbraw/zinc/84/15/86/386841586.db2.gz XMTGTWIUZOZKDS-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000398595286 386850083 /nfs/dbraw/zinc/85/00/83/386850083.db2.gz WWGVOLFNSZWCTP-FRRDWIJNSA-N 1 3 228.380 1.645 20 0 BDADHO CC1CCC(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334833265 386872791 /nfs/dbraw/zinc/87/27/91/386872791.db2.gz OEULBSAPFZBWRF-NGEZQELSSA-N 1 3 208.349 1.620 20 0 BDADHO Cc1cn[nH]c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000334840988 386887037 /nfs/dbraw/zinc/88/70/37/386887037.db2.gz FQYKHFLZASLMEC-CYBMUJFWSA-N 1 3 248.374 1.540 20 0 BDADHO C[C@@H](NC1CC[NH2+]CC1)[C@@H]1COc2ccccc21 ZINC000334848846 386897010 /nfs/dbraw/zinc/89/70/10/386897010.db2.gz LVDLNYHEIKJFPG-RISCZKNCSA-N 1 3 246.354 1.893 20 0 BDADHO C[C@@H]([NH2+]C1CCNCC1)[C@@H]1COc2ccccc21 ZINC000334848846 386897014 /nfs/dbraw/zinc/89/70/14/386897014.db2.gz LVDLNYHEIKJFPG-RISCZKNCSA-N 1 3 246.354 1.893 20 0 BDADHO COC[C@]1(C[NH2+][C@@H]2CCCSC2)CCCN1 ZINC000414942046 386897686 /nfs/dbraw/zinc/89/76/86/386897686.db2.gz JNMHMOGLXRPLCO-VXGBXAGGSA-N 1 3 244.404 1.240 20 0 BDADHO CC1(C)CC[C@@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000334873783 386935308 /nfs/dbraw/zinc/93/53/08/386935308.db2.gz JGXTUPOWYAWAMI-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]CC1(N)CCCCC1 ZINC000334819889 386947773 /nfs/dbraw/zinc/94/77/73/386947773.db2.gz WBDMEWYOGMTBIK-QWRGUYRKSA-N 1 3 212.337 1.415 20 0 BDADHO CO[C@@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921891 386969699 /nfs/dbraw/zinc/96/96/99/386969699.db2.gz LZXZBFIUXMAMSE-ACJTYDJDSA-N 1 3 226.364 1.578 20 0 BDADHO CO[C@@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921891 386969708 /nfs/dbraw/zinc/96/97/08/386969708.db2.gz LZXZBFIUXMAMSE-ACJTYDJDSA-N 1 3 226.364 1.578 20 0 BDADHO CCCCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369357922 387040759 /nfs/dbraw/zinc/04/07/59/387040759.db2.gz IUQKOMLHCLYNRI-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369357922 387040766 /nfs/dbraw/zinc/04/07/66/387040766.db2.gz IUQKOMLHCLYNRI-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@@H](NCCCC(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000393425025 259703533 /nfs/dbraw/zinc/70/35/33/259703533.db2.gz LMMAULJKZPHUJN-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H](N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227063 387023569 /nfs/dbraw/zinc/02/35/69/387023569.db2.gz BDAJQBUNTZFQHP-UTUOFQBUSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](N[C@@H]1CCc2[nH]cnc2C1)[C@@H]1CCCC[NH2+]1 ZINC000333227063 387023573 /nfs/dbraw/zinc/02/35/73/387023573.db2.gz BDAJQBUNTZFQHP-UTUOFQBUSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCCN1 ZINC000333227063 387023577 /nfs/dbraw/zinc/02/35/77/387023577.db2.gz BDAJQBUNTZFQHP-UTUOFQBUSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@H]1C[C@@H](CN2CCOCC23CC3)CC[NH2+]1 ZINC000334882508 387025332 /nfs/dbraw/zinc/02/53/32/387025332.db2.gz NCAWYJSZACMHER-RYUDHWBXSA-N 1 3 224.348 1.239 20 0 BDADHO C(CN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]C1 ZINC000085540494 387070420 /nfs/dbraw/zinc/07/04/20/387070420.db2.gz DGLIUSZWRAOTAA-UPJWGTAASA-N 1 3 224.348 1.239 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000228337572 387083064 /nfs/dbraw/zinc/08/30/64/387083064.db2.gz QBKNZEFZMHJDCV-YPMHNXCESA-N 1 3 236.363 1.121 20 0 BDADHO CN1CCCC(C)(C)[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000335008954 387102610 /nfs/dbraw/zinc/10/26/10/387102610.db2.gz FKCJYXLMGBBTFM-RYUDHWBXSA-N 1 3 225.380 1.058 20 0 BDADHO Cc1ccc(CN2CCC3(CC[NH2+]C3)CC2)nc1 ZINC000336277647 387109290 /nfs/dbraw/zinc/10/92/90/387109290.db2.gz PSMCGPSKFKJAOD-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423309928 387145804 /nfs/dbraw/zinc/14/58/04/387145804.db2.gz MPHOIDWJNFUNLY-WCQYABFASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CCc2ccccc2OC1 ZINC000423311234 387149339 /nfs/dbraw/zinc/14/93/39/387149339.db2.gz TVCDMWAVVJKTAJ-AAEUAGOBSA-N 1 3 234.343 1.565 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000423311234 387149342 /nfs/dbraw/zinc/14/93/42/387149342.db2.gz TVCDMWAVVJKTAJ-AAEUAGOBSA-N 1 3 234.343 1.565 20 0 BDADHO COC[C@@H](NC[C@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314207 387154185 /nfs/dbraw/zinc/15/41/85/387154185.db2.gz GUJXGEHLDCFRTB-QWHCGFSZSA-N 1 3 226.364 1.519 20 0 BDADHO CC(=O)Nc1ccc([C@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000423314372 387155315 /nfs/dbraw/zinc/15/53/15/387155315.db2.gz YKBGVGUHMKRDSN-QWRGUYRKSA-N 1 3 249.358 1.890 20 0 BDADHO CC[C@@H](N[C@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423315608 387156382 /nfs/dbraw/zinc/15/63/82/387156382.db2.gz AAHITLSFRWYXAJ-NXEZZACHSA-N 1 3 228.336 1.045 20 0 BDADHO CCCCO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423315617 387157339 /nfs/dbraw/zinc/15/73/39/387157339.db2.gz ABGWSNOSCURIOE-GRYCIOLGSA-N 1 3 228.380 1.907 20 0 BDADHO COC[C@H](N[C@H](C)C[NH3+])C1CCCC1 ZINC000423318220 387160144 /nfs/dbraw/zinc/16/01/44/387160144.db2.gz DBLLGQUZEWEGLX-KOLCDFICSA-N 1 3 200.326 1.128 20 0 BDADHO [NH3+][C@H](CN[C@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000423321197 387161835 /nfs/dbraw/zinc/16/18/35/387161835.db2.gz MZTXKRQNDJWUAF-FVCCEPFGSA-N 1 3 236.359 1.271 20 0 BDADHO CC(C)O[C@@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423322065 387164569 /nfs/dbraw/zinc/16/45/69/387164569.db2.gz ILNAFWKYGVYRBV-OUAUKWLOSA-N 1 3 214.353 1.515 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H](C)C[NH3+])C12CCCC2 ZINC000423327534 387170509 /nfs/dbraw/zinc/17/05/09/387170509.db2.gz NJLTZGNLRMHOSQ-WOPDTQHZSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)CCN1 ZINC000423374079 387193703 /nfs/dbraw/zinc/19/37/03/387193703.db2.gz HQFFHRKZUINGCO-FOUMNBMASA-N 1 3 208.349 1.905 20 0 BDADHO FCCC[C@H]1CCC[C@@H]1[NH2+]CC1CNC1 ZINC000423333938 387180124 /nfs/dbraw/zinc/18/01/24/387180124.db2.gz WKZIMHMATFUWDN-NEPJUHHUSA-N 1 3 214.328 1.714 20 0 BDADHO COCCC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423337264 387185185 /nfs/dbraw/zinc/18/51/85/387185185.db2.gz UBXRENGMJGCZCI-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CCCC[C@@H](CN)[NH2+]C1CCN(C2CC2)CC1 ZINC000423301156 387132727 /nfs/dbraw/zinc/13/27/27/387132727.db2.gz SPVPPCNXSZBHAW-ZDUSSCGKSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CCc2c1cccc2F ZINC000423303337 387136478 /nfs/dbraw/zinc/13/64/78/387136478.db2.gz WWPWIQGIIXTGJH-TVQRCGJNSA-N 1 3 222.307 1.997 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCC(C)(C)O)CC1 ZINC000370696629 387137152 /nfs/dbraw/zinc/13/71/52/387137152.db2.gz GXVPVKLIQNXRFK-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCC(C)(C)O)CC1 ZINC000370696629 387137156 /nfs/dbraw/zinc/13/71/56/387137156.db2.gz GXVPVKLIQNXRFK-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCC(C)(C)O)CC1 ZINC000370696629 387137159 /nfs/dbraw/zinc/13/71/59/387137159.db2.gz GXVPVKLIQNXRFK-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)c1cccc(CO)c1 ZINC000423303149 387137328 /nfs/dbraw/zinc/13/73/28/387137328.db2.gz WORDDWMJNZKOHN-QWRGUYRKSA-N 1 3 222.332 1.424 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2C[NH2+]C2)C12CCC2 ZINC000423303617 387137540 /nfs/dbraw/zinc/13/75/40/387137540.db2.gz MCIIPDGOEIUZDO-NWDGAFQWSA-N 1 3 224.348 1.143 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CC2CNC2)C12CCC2 ZINC000423303617 387137544 /nfs/dbraw/zinc/13/75/44/387137544.db2.gz MCIIPDGOEIUZDO-NWDGAFQWSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)[C@H](C)O1 ZINC000423356216 387208583 /nfs/dbraw/zinc/20/85/83/387208583.db2.gz JPAJQDISIGUYAO-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO C[NH+](C)CCOCCNCc1cccc(F)c1 ZINC000230004594 387222373 /nfs/dbraw/zinc/22/23/73/387222373.db2.gz LTGLEGWKWXIHMG-UHFFFAOYSA-N 1 3 240.322 1.494 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC12CCC2 ZINC000423369706 387222904 /nfs/dbraw/zinc/22/29/04/387222904.db2.gz SZNZXRBOPDYZIU-UTUOFQBUSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@@H]1CCC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000643497202 387228396 /nfs/dbraw/zinc/22/83/96/387228396.db2.gz RGMMZRXFYMNPBM-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000336410452 387239116 /nfs/dbraw/zinc/23/91/16/387239116.db2.gz DEUODDCTJJCSQY-GWCFXTLKSA-N 1 3 244.342 1.732 20 0 BDADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@H]1CCOC1 ZINC000423344847 387195639 /nfs/dbraw/zinc/19/56/39/387195639.db2.gz YJEOUFFQSKKICF-IHRRRGAJSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(CO)c1 ZINC000423347029 387197875 /nfs/dbraw/zinc/19/78/75/387197875.db2.gz PXMGAXIWAYQPFD-GFCCVEGCSA-N 1 3 246.354 1.749 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H]1CCCOC1 ZINC000423349279 387200832 /nfs/dbraw/zinc/20/08/32/387200832.db2.gz VICIJDDWJJEKIW-MJBXVCDLSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1C[C@H]1C ZINC000321915863 387316072 /nfs/dbraw/zinc/31/60/72/387316072.db2.gz QKOULFNNTBUUHT-IJLUTSLNSA-N 1 3 214.353 1.199 20 0 BDADHO Cc1cc(C[NH+](C)C)cc(NC(=O)C2(N)CC2)c1 ZINC000353765102 387269599 /nfs/dbraw/zinc/26/95/99/387269599.db2.gz GFDMXZDEJCOMAN-UHFFFAOYSA-N 1 3 247.342 1.486 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)C1CCCC1 ZINC000423386499 387270185 /nfs/dbraw/zinc/27/01/85/387270185.db2.gz SAGLCSGRKJQSJA-UBHSHLNASA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)C1CCCC1 ZINC000423386499 387270190 /nfs/dbraw/zinc/27/01/90/387270190.db2.gz SAGLCSGRKJQSJA-UBHSHLNASA-N 1 3 240.391 1.922 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@H]1CCOC ZINC000423395392 387281124 /nfs/dbraw/zinc/28/11/24/387281124.db2.gz SMGUWFLZVZJPCV-AGIUHOORSA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]1CCOC ZINC000423395393 387282131 /nfs/dbraw/zinc/28/21/31/387282131.db2.gz SMGUWFLZVZJPCV-FRRDWIJNSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000423480457 387291550 /nfs/dbraw/zinc/29/15/50/387291550.db2.gz VZZNYEZWONBVAB-TUAOUCFPSA-N 1 3 228.380 1.905 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1NCCc2ccccc21 ZINC000423443324 387292418 /nfs/dbraw/zinc/29/24/18/387292418.db2.gz WYNSXBLWKGHEFA-QLFBSQMISA-N 1 3 245.370 1.343 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)[C@@H](C)[NH3+])C[C@@H]1OC ZINC000423442802 387292842 /nfs/dbraw/zinc/29/28/42/387292842.db2.gz KBKWNZFNMBBXEF-KKOKHZNYSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1NCCc2ccccc21 ZINC000423447545 387296526 /nfs/dbraw/zinc/29/65/26/387296526.db2.gz ZVCULGLTHOOHBB-SLEUVZQESA-N 1 3 247.386 1.589 20 0 BDADHO CC[C@H](N[C@@H](C)[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448580 387298412 /nfs/dbraw/zinc/29/84/12/387298412.db2.gz QOMNURWSOALHDO-DCAQKATOSA-N 1 3 242.363 1.434 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000353997169 387308583 /nfs/dbraw/zinc/30/85/83/387308583.db2.gz QMPAYROBLSJJCW-NWDGAFQWSA-N 1 3 237.347 1.598 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000353997169 387308585 /nfs/dbraw/zinc/30/85/85/387308585.db2.gz QMPAYROBLSJJCW-NWDGAFQWSA-N 1 3 237.347 1.598 20 0 BDADHO CCN1C[C@H](NCCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000423523331 387356499 /nfs/dbraw/zinc/35/64/99/387356499.db2.gz IFZIYQWFGMNSIW-AAEUAGOBSA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423481546 387362958 /nfs/dbraw/zinc/36/29/58/387362958.db2.gz WVPXGTNHHCKIJT-NNYUYHANSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCCCNC1 ZINC000423541994 387365134 /nfs/dbraw/zinc/36/51/34/387365134.db2.gz AKKVTTJCXKYMOC-VXGBXAGGSA-N 1 3 234.347 1.139 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCCCNC1 ZINC000423541991 387365216 /nfs/dbraw/zinc/36/52/16/387365216.db2.gz AKKVTTJCXKYMOC-NEPJUHHUSA-N 1 3 234.347 1.139 20 0 BDADHO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCCCNC1 ZINC000423541993 387365779 /nfs/dbraw/zinc/36/57/79/387365779.db2.gz AKKVTTJCXKYMOC-RYUDHWBXSA-N 1 3 234.347 1.139 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)C[C@H]1C)C(C)C ZINC000360916684 387366143 /nfs/dbraw/zinc/36/61/43/387366143.db2.gz AOGZLUFJDPEYAS-ZIAGYGMSSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCC[C@H](F)C1 ZINC000515384205 387373475 /nfs/dbraw/zinc/37/34/75/387373475.db2.gz DHFQLKQCEMYUOP-KXNHARMFSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423566311 387376770 /nfs/dbraw/zinc/37/67/70/387376770.db2.gz UBUYHDUNTBABQD-BZPMIXESSA-N 1 3 237.391 1.201 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000423475179 387321260 /nfs/dbraw/zinc/32/12/60/387321260.db2.gz RSMAMGGZIVFPCY-LOWDOPEQSA-N 1 3 238.375 1.661 20 0 BDADHO C(C1CC1)N1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643462716 387326326 /nfs/dbraw/zinc/32/63/26/387326326.db2.gz IAQDIYAVHSJLFY-MBOZISHXSA-N 1 3 249.402 1.343 20 0 BDADHO Cc1nccnc1[C@@H](C)NCCC[C@H]1CCC[NH2+]1 ZINC000423485416 387331849 /nfs/dbraw/zinc/33/18/49/387331849.db2.gz ROAAOUPCAGVDHR-YPMHNXCESA-N 1 3 248.374 1.968 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccncc1F ZINC000423500177 387340606 /nfs/dbraw/zinc/34/06/06/387340606.db2.gz IHGZHRYHYHYMRX-DCAQKATOSA-N 1 3 237.322 1.999 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@H]1CCC[C@H]1[NH3+] ZINC000423499721 387341127 /nfs/dbraw/zinc/34/11/27/387341127.db2.gz JLHZHZOOFUOTKC-KFWWJZLASA-N 1 3 247.386 1.718 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCNC2)C1 ZINC000643500763 387345180 /nfs/dbraw/zinc/34/51/80/387345180.db2.gz CCJWWBDROXJGQS-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCNC2)C1 ZINC000643500764 387345212 /nfs/dbraw/zinc/34/52/12/387345212.db2.gz CCJWWBDROXJGQS-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO C(C1CC1)N1C[C@H]2[C@@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000361303306 387436008 /nfs/dbraw/zinc/43/60/08/387436008.db2.gz HSSLLSURFGAWNQ-IHRRRGAJSA-N 1 3 220.360 1.813 20 0 BDADHO C(C1CC1)N1C[C@H]2[C@@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000361303306 387436012 /nfs/dbraw/zinc/43/60/12/387436012.db2.gz HSSLLSURFGAWNQ-IHRRRGAJSA-N 1 3 220.360 1.813 20 0 BDADHO CC[C@@H](N)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000037804632 387437402 /nfs/dbraw/zinc/43/74/02/387437402.db2.gz LWZYDTFZFPEKRE-GFCCVEGCSA-N 1 3 241.379 1.055 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000084216849 387441347 /nfs/dbraw/zinc/44/13/47/387441347.db2.gz UYEUDUSAUCFYEM-IJLUTSLNSA-N 1 3 212.337 1.273 20 0 BDADHO CC[NH2+]CCCN[C@H](COC)C1CCCC1 ZINC000515634021 387403622 /nfs/dbraw/zinc/40/36/22/387403622.db2.gz CXLWDTOGYMSFPZ-CYBMUJFWSA-N 1 3 228.380 1.781 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CC[NH2+]2)c1 ZINC000423776335 387422037 /nfs/dbraw/zinc/42/20/37/387422037.db2.gz ASRWRCICEVTSAP-CYBMUJFWSA-N 1 3 247.342 1.357 20 0 BDADHO CC1(C)C[C@@H]([NH2+]CCCN2CCCC2)CO1 ZINC000396851405 387503651 /nfs/dbraw/zinc/50/36/51/387503651.db2.gz LQZCIOWLUQQBPK-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO CC1(C)C[C@@H](NCCC[NH+]2CCCC2)CO1 ZINC000396851405 387503658 /nfs/dbraw/zinc/50/36/58/387503658.db2.gz LQZCIOWLUQQBPK-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCOC1 ZINC000310228288 387536597 /nfs/dbraw/zinc/53/65/97/387536597.db2.gz OKOARCCEFWFVJW-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH+](C)CC1CCN(CC2(F)CC2)CC1 ZINC000527218202 387537838 /nfs/dbraw/zinc/53/78/38/387537838.db2.gz UPGZYROGBTZORF-UHFFFAOYSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@H](CC1CCOCC1)NCC[NH2+]C1CC1 ZINC000643505824 387463106 /nfs/dbraw/zinc/46/31/06/387463106.db2.gz AOEAHSSRQQGUSA-LLVKDONJSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](NCC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000643507828 387479875 /nfs/dbraw/zinc/47/98/75/387479875.db2.gz RAICIDYMSRRUNS-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO Cc1ccc([C@H](C)NC[C@H](C)C[NH3+])c(C)n1 ZINC000643514823 387600198 /nfs/dbraw/zinc/60/01/98/387600198.db2.gz MEBZVPDWZPUKSK-KOLCDFICSA-N 1 3 221.348 1.944 20 0 BDADHO C[C@@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701029 387616311 /nfs/dbraw/zinc/61/63/11/387616311.db2.gz HWEKKYPFHVFWPT-RKQHYHRCSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCCO1 ZINC000422701493 387616370 /nfs/dbraw/zinc/61/63/70/387616370.db2.gz IRQBZOUCVJNPTG-DCAQKATOSA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@@H](C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705184 387619860 /nfs/dbraw/zinc/61/98/60/387619860.db2.gz BIIGEBPYAYSDGL-VKYHIEHISA-N 1 3 226.364 1.266 20 0 BDADHO CCN(C)CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422708072 387622538 /nfs/dbraw/zinc/62/25/38/387622538.db2.gz BIVXBBUDJGFXOQ-NEPJUHHUSA-N 1 3 213.369 1.188 20 0 BDADHO CCCCN(C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422708932 387624016 /nfs/dbraw/zinc/62/40/16/387624016.db2.gz JVXFOPUSMXIDOH-OLZOCXBDSA-N 1 3 227.396 1.435 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC23CCC3)CCO1 ZINC000527533826 387624668 /nfs/dbraw/zinc/62/46/68/387624668.db2.gz VYQBRXLQBRAFMR-IJLUTSLNSA-N 1 3 224.348 1.428 20 0 BDADHO CC(C)[C@@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000124630520 387626130 /nfs/dbraw/zinc/62/61/30/387626130.db2.gz UIPBSPNWBAOSOY-RDBSUJKOSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@H]1CCC[N@H+](CCOCC2CC2)[C@@H]1CN ZINC000430544293 387627906 /nfs/dbraw/zinc/62/79/06/387627906.db2.gz FUBHLVBWQIBGOL-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1CCC[N@@H+](CCOCC2CC2)[C@@H]1CN ZINC000430544293 387627911 /nfs/dbraw/zinc/62/79/11/387627911.db2.gz FUBHLVBWQIBGOL-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CN(CCCF)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762930 387579655 /nfs/dbraw/zinc/57/96/55/387579655.db2.gz LEXACBRYLDDKGM-FOSCPWQOSA-N 1 3 214.328 1.903 20 0 BDADHO CN(CCCF)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762930 387579657 /nfs/dbraw/zinc/57/96/57/387579657.db2.gz LEXACBRYLDDKGM-FOSCPWQOSA-N 1 3 214.328 1.903 20 0 BDADHO CCN(CC)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422744857 387694541 /nfs/dbraw/zinc/69/45/41/387694541.db2.gz KYCGGKNFWUHXJS-WDEREUQCSA-N 1 3 201.358 1.044 20 0 BDADHO Cc1ccn2cc(CN[C@@H](C)CCC[NH3+])nc2c1 ZINC000422720552 387633671 /nfs/dbraw/zinc/63/36/71/387633671.db2.gz SRMJWELTJFFRCI-LBPRGKRZSA-N 1 3 246.358 1.860 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCCO1 ZINC000422741927 387647711 /nfs/dbraw/zinc/64/77/11/387647711.db2.gz FQVQUWJJORXZPC-IJLUTSLNSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)N(C)C ZINC000422740377 387648586 /nfs/dbraw/zinc/64/85/86/387648586.db2.gz MPWSUOVKIHZFRU-IJLUTSLNSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422747239 387651987 /nfs/dbraw/zinc/65/19/87/387651987.db2.gz YDXHFJXXLXOMHQ-WZRBSPASSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@H](NC1CC(C)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000643491408 387654256 /nfs/dbraw/zinc/65/42/56/387654256.db2.gz OMNDIYGENUCCCR-DMOGRIERSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H]([NH2+]C1CC(C)(F)C1)[C@@H]1CCCNC1 ZINC000643491408 387654262 /nfs/dbraw/zinc/65/42/62/387654262.db2.gz OMNDIYGENUCCCR-DMOGRIERSA-N 1 3 214.328 1.855 20 0 BDADHO Fc1ccccc1OCC[NH2+]C1CCNCC1 ZINC000422750354 387655804 /nfs/dbraw/zinc/65/58/04/387655804.db2.gz CWRZSFAZWQBLEW-UHFFFAOYSA-N 1 3 238.306 1.546 20 0 BDADHO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000422753263 387658491 /nfs/dbraw/zinc/65/84/91/387658491.db2.gz FYHSSXNBZVJJET-AEGPPILISA-N 1 3 248.370 1.837 20 0 BDADHO CSC[C@H](C)N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422756901 387660305 /nfs/dbraw/zinc/66/03/05/387660305.db2.gz MCIMTRNJFXBYKF-HBNTYKKESA-N 1 3 216.394 1.988 20 0 BDADHO CC(C)OCCC[NH2+][C@H](C)C[C@H](C)N ZINC000422762446 387662456 /nfs/dbraw/zinc/66/24/56/387662456.db2.gz NQMUMZUNQIOCHG-WDEREUQCSA-N 1 3 202.342 1.517 20 0 BDADHO COc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422770965 387669556 /nfs/dbraw/zinc/66/95/56/387669556.db2.gz QXFHGSKCZVUICQ-GHMZBOCLSA-N 1 3 222.332 1.911 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1COc2ccccc2C1 ZINC000422775978 387673457 /nfs/dbraw/zinc/67/34/57/387673457.db2.gz CTSSMKVHYDBWSA-GMXVVIOVSA-N 1 3 234.343 1.706 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000126258065 387677539 /nfs/dbraw/zinc/67/75/39/387677539.db2.gz PFBIVGJFELRKNE-OLZOCXBDSA-N 1 3 236.363 1.380 20 0 BDADHO CC(C)COCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000422778730 387679215 /nfs/dbraw/zinc/67/92/15/387679215.db2.gz DXPMSUSROBPTGF-NEPJUHHUSA-N 1 3 216.369 1.765 20 0 BDADHO CCCCOCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422784659 387682618 /nfs/dbraw/zinc/68/26/18/387682618.db2.gz QBONTBHSYACZIV-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)N1CCCC[C@@H]1C ZINC000422860303 387743575 /nfs/dbraw/zinc/74/35/75/387743575.db2.gz LIWCHEHGOKFIAX-XQQFMLRXSA-N 1 3 239.407 1.447 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CCC(C)CC1 ZINC000422867008 387745837 /nfs/dbraw/zinc/74/58/37/387745837.db2.gz RNQDATOUGXOURR-OLZOCXBDSA-N 1 3 227.396 1.434 20 0 BDADHO C[C@H](CN[C@H](C)C1C[NH2+]C1)N(C)c1ccccc1 ZINC000422866942 387747291 /nfs/dbraw/zinc/74/72/91/387747291.db2.gz RFNPLUYCEHWJNC-CHWSQXEVSA-N 1 3 247.386 1.709 20 0 BDADHO C[C@H](C[NH2+][C@H](C)C1CNC1)N(C)c1ccccc1 ZINC000422866942 387747295 /nfs/dbraw/zinc/74/72/95/387747295.db2.gz RFNPLUYCEHWJNC-CHWSQXEVSA-N 1 3 247.386 1.709 20 0 BDADHO C[C@@H](NCCN1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871379 387748735 /nfs/dbraw/zinc/74/87/35/387748735.db2.gz ZYKKWJFGZYPKMM-BFHYXJOUSA-N 1 3 239.407 1.448 20 0 BDADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCS1 ZINC000422877108 387756397 /nfs/dbraw/zinc/75/63/97/387756397.db2.gz QZYJIQAUKRPSCD-AYLPWXGPSA-N 1 3 226.389 1.755 20 0 BDADHO COc1ccc(CC[C@@H](C)NC[C@H](C)[NH3+])cc1 ZINC000643526249 387750291 /nfs/dbraw/zinc/75/02/91/387750291.db2.gz WDKDUQJFKYKHDV-NWDGAFQWSA-N 1 3 236.359 1.953 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCS1 ZINC000422872843 387753063 /nfs/dbraw/zinc/75/30/63/387753063.db2.gz IVIJVLUYEPEJNU-BBBLOLIVSA-N 1 3 200.351 1.351 20 0 BDADHO CCN(CCN[C@H]1CC[NH2+]CC[C@H]1C)C1CC1 ZINC000422876969 387754325 /nfs/dbraw/zinc/75/43/25/387754325.db2.gz GZWOECFOXCBDKJ-OCCSQVGLSA-N 1 3 239.407 1.448 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCCOc1ccccc1 ZINC000422795831 387697188 /nfs/dbraw/zinc/69/71/88/387697188.db2.gz WSWHMWLPJMVAJB-UONOGXRCSA-N 1 3 234.343 1.925 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000422796279 387698766 /nfs/dbraw/zinc/69/87/66/387698766.db2.gz YBEIFGLXSUAMHU-ZMLRMANQSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422796279 387698773 /nfs/dbraw/zinc/69/87/73/387698773.db2.gz YBEIFGLXSUAMHU-ZMLRMANQSA-N 1 3 212.337 1.142 20 0 BDADHO CC(=O)Nc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422802598 387702900 /nfs/dbraw/zinc/70/29/00/387702900.db2.gz HOWPJGSCFUAYEA-GHMZBOCLSA-N 1 3 249.358 1.860 20 0 BDADHO COCc1ccccc1C[NH2+][C@H]1CNCC[C@@H]1C ZINC000422808951 387707391 /nfs/dbraw/zinc/70/73/91/387707391.db2.gz QZDYWKGDRMNRCY-WFASDCNBSA-N 1 3 248.370 1.921 20 0 BDADHO Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c1 ZINC000422810956 387707987 /nfs/dbraw/zinc/70/79/87/387707987.db2.gz VAKHVAHCXXZXLX-VHDGCEQUSA-N 1 3 248.370 1.837 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])C(C)C ZINC000422808598 387708038 /nfs/dbraw/zinc/70/80/38/387708038.db2.gz OOLJXUHUWNZYRR-HBNTYKKESA-N 1 3 202.342 1.373 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCCCC1 ZINC000422809353 387709395 /nfs/dbraw/zinc/70/93/95/387709395.db2.gz MBRVFQZBBVRSQQ-KGLIPLIRSA-N 1 3 239.407 1.450 20 0 BDADHO CCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCOCC1 ZINC000422814020 387712028 /nfs/dbraw/zinc/71/20/28/387712028.db2.gz SWZHMVSNBICBQA-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@]1(N(C)C)CCSC1 ZINC000422822444 387718278 /nfs/dbraw/zinc/71/82/78/387718278.db2.gz KAQVNFHSLCHDCP-QJPTWQEYSA-N 1 3 245.436 1.139 20 0 BDADHO CC(C)C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000422821688 387718332 /nfs/dbraw/zinc/71/83/32/387718332.db2.gz XVVCJVKNXTZNKS-MGPQQGTHSA-N 1 3 241.423 1.550 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(N(C)C)CCSC1 ZINC000422822445 387718394 /nfs/dbraw/zinc/71/83/94/387718394.db2.gz KAQVNFHSLCHDCP-SDDRHHMPSA-N 1 3 245.436 1.139 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCOC1CCCC1 ZINC000422823919 387719963 /nfs/dbraw/zinc/71/99/63/387719963.db2.gz FKXMLVKAISEMEJ-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367549894 387725414 /nfs/dbraw/zinc/72/54/14/387725414.db2.gz HPITZKCKVRGVRT-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000643523202 387725958 /nfs/dbraw/zinc/72/59/58/387725958.db2.gz XLTYNTNXPSOLHH-ZIAGYGMSSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@@H](N[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523202 387725964 /nfs/dbraw/zinc/72/59/64/387725964.db2.gz XLTYNTNXPSOLHH-ZIAGYGMSSA-N 1 3 240.391 1.923 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCNc1ccccn1 ZINC000422834671 387725893 /nfs/dbraw/zinc/72/58/93/387725893.db2.gz NWQTUWYGJQQZFH-CHWSQXEVSA-N 1 3 248.374 1.601 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877133 387755681 /nfs/dbraw/zinc/75/56/81/387755681.db2.gz RBJJWJFLIZZDDN-RFHZTLPTSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422877133 387755686 /nfs/dbraw/zinc/75/56/86/387755686.db2.gz RBJJWJFLIZZDDN-RFHZTLPTSA-N 1 3 237.391 1.057 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCCNc1ccccn1 ZINC000422838786 387729423 /nfs/dbraw/zinc/72/94/23/387729423.db2.gz YBYLWLUFDRDCIJ-NWDGAFQWSA-N 1 3 234.347 1.353 20 0 BDADHO CCC(O)(CC)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128055764 387734366 /nfs/dbraw/zinc/73/43/66/387734366.db2.gz BKWOOHWOWJEPAX-QWHCGFSZSA-N 1 3 240.391 1.754 20 0 BDADHO CCC(O)(CC)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128055764 387734371 /nfs/dbraw/zinc/73/43/71/387734371.db2.gz BKWOOHWOWJEPAX-QWHCGFSZSA-N 1 3 240.391 1.754 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C1(C)C ZINC000422848353 387734864 /nfs/dbraw/zinc/73/48/64/387734864.db2.gz JSEPNKCCRSKPSO-ZRUFSTJUSA-N 1 3 212.337 1.269 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CCC1 ZINC000422847148 387735377 /nfs/dbraw/zinc/73/53/77/387735377.db2.gz HLPHGTCHPUPFMG-RWMBFGLXSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCCC[C@@H]1C ZINC000422856805 387742196 /nfs/dbraw/zinc/74/21/96/387742196.db2.gz GPHXAMFQOMEBPD-AVGNSLFASA-N 1 3 227.396 1.576 20 0 BDADHO CCC1(CC)[C@H](NC[C@@H](C)[NH3+])C[C@H]1OC ZINC000643527508 387766308 /nfs/dbraw/zinc/76/63/08/387766308.db2.gz NTPHGAGCTSAXLZ-GMTAPVOTSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@@H](N)C[NH2+][C@H]1CCc2c1cccc2F ZINC000643528249 387767094 /nfs/dbraw/zinc/76/70/94/387767094.db2.gz GBPUKWBLYYDYPC-PELKAZGASA-N 1 3 208.280 1.750 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422909511 387768455 /nfs/dbraw/zinc/76/84/55/387768455.db2.gz OEZNWYRHNOBTCS-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](N)C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000643528218 387768572 /nfs/dbraw/zinc/76/85/72/387768572.db2.gz FPEXICQXYGSMJY-NXEZZACHSA-N 1 3 247.342 1.569 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422916165 387773520 /nfs/dbraw/zinc/77/35/20/387773520.db2.gz CNRMXAMKIBDUBV-SRVKXCTJSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H](C)N)C1 ZINC000643528160 387775294 /nfs/dbraw/zinc/77/52/94/387775294.db2.gz DTJWBSYKRXWURU-GUTXKFCHSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@H](NC[C@H](C)[NH3+])C1 ZINC000643528160 387775296 /nfs/dbraw/zinc/77/52/96/387775296.db2.gz DTJWBSYKRXWURU-GUTXKFCHSA-N 1 3 247.386 1.759 20 0 BDADHO CC[C@H](NC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422900100 387786272 /nfs/dbraw/zinc/78/62/72/387786272.db2.gz PWHYNRVNCSDRPS-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150983810 387789368 /nfs/dbraw/zinc/78/93/68/387789368.db2.gz UCWIAODZEYDUOB-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989600 387797146 /nfs/dbraw/zinc/79/71/46/387797146.db2.gz LYPUMYBOFIITRO-OLZOCXBDSA-N 1 3 240.391 1.646 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCn1cccn1 ZINC000422993563 387802650 /nfs/dbraw/zinc/80/26/50/387802650.db2.gz RMRQQYFSLCWWFH-NEPJUHHUSA-N 1 3 222.336 1.133 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)CN[C@H](C)C[C@H](C)[NH3+] ZINC000422996885 387803341 /nfs/dbraw/zinc/80/33/41/387803341.db2.gz ADSOFEQAAYYDKU-QJPTWQEYSA-N 1 3 230.396 1.745 20 0 BDADHO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000422996885 387803342 /nfs/dbraw/zinc/80/33/42/387803342.db2.gz ADSOFEQAAYYDKU-QJPTWQEYSA-N 1 3 230.396 1.745 20 0 BDADHO C[C@H]([NH2+][C@H](CCO)C1CCCCC1)C1CNC1 ZINC000423001534 387804243 /nfs/dbraw/zinc/80/42/43/387804243.db2.gz DVHOBCQRAGWRFQ-SMDDNHRTSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000422999799 387804358 /nfs/dbraw/zinc/80/43/58/387804358.db2.gz YLGKIUNACRPLDV-MNOVXSKESA-N 1 3 216.369 1.501 20 0 BDADHO CC(C)(C)C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423002423 387806920 /nfs/dbraw/zinc/80/69/20/387806920.db2.gz YWRLBAOIQUAGTP-ZGVCCVRISA-N 1 3 240.391 1.656 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423001907 387807176 /nfs/dbraw/zinc/80/71/76/387807176.db2.gz FGTCFQYDXAGXSO-GRYCIOLGSA-N 1 3 216.369 1.501 20 0 BDADHO CC(C)N(C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422880426 387758422 /nfs/dbraw/zinc/75/84/22/387758422.db2.gz OBCGODZNFONGFB-QWRGUYRKSA-N 1 3 201.358 1.042 20 0 BDADHO C[C@@H](N[C@@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422880914 387758495 /nfs/dbraw/zinc/75/84/95/387758495.db2.gz XUEMCGTWQYRBRU-HBJVGIJOSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOCC1CC1 ZINC000422888313 387760834 /nfs/dbraw/zinc/76/08/34/387760834.db2.gz MOCGFPYGUVJNAI-ZJUUUORDSA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422972839 387821033 /nfs/dbraw/zinc/82/10/33/387821033.db2.gz ANCDVHPXCVJNHB-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422972839 387821036 /nfs/dbraw/zinc/82/10/36/387821036.db2.gz ANCDVHPXCVJNHB-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422972838 387822124 /nfs/dbraw/zinc/82/21/24/387822124.db2.gz ANCDVHPXCVJNHB-TUAOUCFPSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422972838 387822127 /nfs/dbraw/zinc/82/21/27/387822127.db2.gz ANCDVHPXCVJNHB-TUAOUCFPSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](CCO)N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422973979 387823081 /nfs/dbraw/zinc/82/30/81/387823081.db2.gz DBICFAUDRQBHGF-DYEKYZERSA-N 1 3 236.359 1.305 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@H]1CCC[C@H]1[NH3+] ZINC000423007667 387828695 /nfs/dbraw/zinc/82/86/95/387828695.db2.gz YFLJVJHNPTWCID-WOPDTQHZSA-N 1 3 228.380 1.499 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000423008674 387830684 /nfs/dbraw/zinc/83/06/84/387830684.db2.gz TZHRJEJEEVCZLD-SOUVJXGZSA-N 1 3 248.370 1.480 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](CO)c1ccccc1 ZINC000423008674 387830689 /nfs/dbraw/zinc/83/06/89/387830689.db2.gz TZHRJEJEEVCZLD-SOUVJXGZSA-N 1 3 248.370 1.480 20 0 BDADHO Cc1cnccc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423009335 387831594 /nfs/dbraw/zinc/83/15/94/387831594.db2.gz CSOYRVVJFJFOFA-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(CO)CC1 ZINC000643459236 387835069 /nfs/dbraw/zinc/83/50/69/387835069.db2.gz AOYXMERDMBDUFJ-OCCSQVGLSA-N 1 3 248.370 1.307 20 0 BDADHO Cc1cnccc1CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423012551 387835195 /nfs/dbraw/zinc/83/51/95/387835195.db2.gz KWNLIQCRHOQURD-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cnccc1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423012551 387835199 /nfs/dbraw/zinc/83/51/99/387835199.db2.gz KWNLIQCRHOQURD-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000423016415 387840315 /nfs/dbraw/zinc/84/03/15/387840315.db2.gz SVZSKOWKJIORPH-QZQCMHJZSA-N 1 3 238.375 1.817 20 0 BDADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCO1 ZINC000423016414 387841524 /nfs/dbraw/zinc/84/15/24/387841524.db2.gz SVZSKOWKJIORPH-PJIALRRASA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000423038995 387852672 /nfs/dbraw/zinc/85/26/72/387852672.db2.gz ZOWPVBHBJRPPGV-VXGBXAGGSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(CO)CCC1 ZINC000423038995 387852674 /nfs/dbraw/zinc/85/26/74/387852674.db2.gz ZOWPVBHBJRPPGV-VXGBXAGGSA-N 1 3 226.364 1.127 20 0 BDADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H](N)c1ccccc1 ZINC000433171293 387853331 /nfs/dbraw/zinc/85/33/31/387853331.db2.gz DAPPODIJAFYCAR-STQMWFEESA-N 1 3 249.358 1.034 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@@H]1CCCCO1 ZINC000423042895 387855776 /nfs/dbraw/zinc/85/57/76/387855776.db2.gz MPDLCNNFOHUOAG-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO CCC(O)(CC)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423075493 387874287 /nfs/dbraw/zinc/87/42/87/387874287.db2.gz XCVKOJFQFWWVIE-GHMZBOCLSA-N 1 3 216.369 1.643 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H](C)C[C@@H](C)N ZINC000423075493 387874289 /nfs/dbraw/zinc/87/42/89/387874289.db2.gz XCVKOJFQFWWVIE-GHMZBOCLSA-N 1 3 216.369 1.643 20 0 BDADHO OCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000423049650 387857929 /nfs/dbraw/zinc/85/79/29/387857929.db2.gz KCQDDEVNJKDFKE-FUNVUKJBSA-N 1 3 238.375 1.412 20 0 BDADHO COc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193657493 387860063 /nfs/dbraw/zinc/86/00/63/387860063.db2.gz XTJGBEZLZFCJFZ-OKILXGFUSA-N 1 3 246.354 1.689 20 0 BDADHO COc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000193657493 387860066 /nfs/dbraw/zinc/86/00/66/387860066.db2.gz XTJGBEZLZFCJFZ-OKILXGFUSA-N 1 3 246.354 1.689 20 0 BDADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460220 387874427 /nfs/dbraw/zinc/87/44/27/387874427.db2.gz CLRAPLOSYCZCHK-JSGCOSHPSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCCNCC1)c1ccncc1 ZINC000643460220 387874429 /nfs/dbraw/zinc/87/44/29/387874429.db2.gz CLRAPLOSYCZCHK-JSGCOSHPSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H]1CCO)[C@@H]1CCCC[NH2+]1 ZINC000423060348 387865850 /nfs/dbraw/zinc/86/58/50/387865850.db2.gz HVOLBTJFLHMPTI-XUXIUFHCSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@@H]1CCCCN1 ZINC000423061980 387868175 /nfs/dbraw/zinc/86/81/75/387868175.db2.gz LXVXXQXYICLIRO-XQQFMLRXSA-N 1 3 248.374 1.318 20 0 BDADHO CC[C@H]([NH2+]CCOCCN(C)C)[C@H]1C[C@H]1C ZINC000322059547 387872220 /nfs/dbraw/zinc/87/22/20/387872220.db2.gz QWEJEBMYHBZSNW-AGIUHOORSA-N 1 3 228.380 1.589 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000423071792 387872683 /nfs/dbraw/zinc/87/26/83/387872683.db2.gz OVZLSVOYCDHDQP-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000422969728 387818605 /nfs/dbraw/zinc/81/86/05/387818605.db2.gz DKACSLRJIUZNGR-CRWXNKLISA-N 1 3 238.375 1.685 20 0 BDADHO C[C@@H](NC[C@@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105383 387890845 /nfs/dbraw/zinc/89/08/45/387890845.db2.gz IIWJBYHCRASBLV-YIYPIFLZSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H](NC[C@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116067 387898874 /nfs/dbraw/zinc/89/88/74/387898874.db2.gz ZKBFSTWKUFASRD-MQYQWHSLSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@@H]1CCCN1 ZINC000423116067 387898877 /nfs/dbraw/zinc/89/88/77/387898877.db2.gz ZKBFSTWKUFASRD-MQYQWHSLSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NC[C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105569 387891547 /nfs/dbraw/zinc/89/15/47/387891547.db2.gz QULBNGUEXVFMNO-YPMHNXCESA-N 1 3 240.391 1.373 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](CO)CC1CCCC1)C1CNC1 ZINC000423105569 387891551 /nfs/dbraw/zinc/89/15/51/387891551.db2.gz QULBNGUEXVFMNO-YPMHNXCESA-N 1 3 240.391 1.373 20 0 BDADHO C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)C1C[NH2+]C1 ZINC000423115898 387898960 /nfs/dbraw/zinc/89/89/60/387898960.db2.gz OMNGURQSSRRQGJ-FBIMIBRVSA-N 1 3 248.317 1.734 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1OC(F)F)C1CNC1 ZINC000423115898 387898964 /nfs/dbraw/zinc/89/89/64/387898964.db2.gz OMNGURQSSRRQGJ-FBIMIBRVSA-N 1 3 248.317 1.734 20 0 BDADHO C[C@](CO)(C[NH2+]C1CCNCC1)c1ccccc1 ZINC000423112270 387895881 /nfs/dbraw/zinc/89/58/81/387895881.db2.gz RXHUMJOGGZSZJT-OAHLLOKOSA-N 1 3 248.370 1.278 20 0 BDADHO COCC[C@@H]([NH2+]C1CCNCC1)C(C)(C)C ZINC000423114149 387896084 /nfs/dbraw/zinc/89/60/84/387896084.db2.gz LOOBQCWXVBJGCZ-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](C)c1ccncc1 ZINC000643460306 387875526 /nfs/dbraw/zinc/87/55/26/387875526.db2.gz NTWAJUGFYFXDST-SDDRHHMPSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)c1ccncc1 ZINC000643460306 387875530 /nfs/dbraw/zinc/87/55/30/387875530.db2.gz NTWAJUGFYFXDST-SDDRHHMPSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1N(C)CCCC1(C)C ZINC000423083280 387877721 /nfs/dbraw/zinc/87/77/21/387877721.db2.gz FSPGTWMHTICAGB-YNEHKIRRSA-N 1 3 241.423 1.822 20 0 BDADHO CSC1(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000423086644 387880296 /nfs/dbraw/zinc/88/02/96/387880296.db2.gz MJFDWVZGOWSPQG-RKDXNWHRSA-N 1 3 202.367 1.597 20 0 BDADHO CSC1(CN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423086644 387880302 /nfs/dbraw/zinc/88/03/02/387880302.db2.gz MJFDWVZGOWSPQG-RKDXNWHRSA-N 1 3 202.367 1.597 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000423092837 387883654 /nfs/dbraw/zinc/88/36/54/387883654.db2.gz DPWGNUYRFPDBQR-QCNOEVLYSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1 ZINC000423092837 387883660 /nfs/dbraw/zinc/88/36/60/387883660.db2.gz DPWGNUYRFPDBQR-QCNOEVLYSA-N 1 3 242.363 1.434 20 0 BDADHO Cc1csc(CCN[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000643460676 387885430 /nfs/dbraw/zinc/88/54/30/387885430.db2.gz CLQXORAIXOIFIK-RKDXNWHRSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@H](N[C@@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093820 387885719 /nfs/dbraw/zinc/88/57/19/387885719.db2.gz INTOZAAKNCDXLN-CMPLNLGQSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)C1CNC1 ZINC000423093820 387885723 /nfs/dbraw/zinc/88/57/23/387885723.db2.gz INTOZAAKNCDXLN-CMPLNLGQSA-N 1 3 228.380 1.371 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1ccc2c[nH]nc2c1 ZINC000423098513 387886915 /nfs/dbraw/zinc/88/69/15/387886915.db2.gz CYSIRUYQPNAJKG-QWHCGFSZSA-N 1 3 244.342 1.575 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423102293 387889378 /nfs/dbraw/zinc/88/93/78/387889378.db2.gz DYPDRNIJCPWMMA-SYQHCUMBSA-N 1 3 240.391 1.637 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCOC1 ZINC000423119327 387900304 /nfs/dbraw/zinc/90/03/04/387900304.db2.gz DPFROPYQVJFBJI-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000423119327 387900307 /nfs/dbraw/zinc/90/03/07/387900307.db2.gz DPFROPYQVJFBJI-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423123833 387902286 /nfs/dbraw/zinc/90/22/86/387902286.db2.gz FIGBBCICXFGZPD-VXGBXAGGSA-N 1 3 228.380 1.637 20 0 BDADHO F[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000423123277 387902773 /nfs/dbraw/zinc/90/27/73/387902773.db2.gz KXPJWHHWZCIBJZ-GMTAPVOTSA-N 1 3 200.301 1.609 20 0 BDADHO C[C@H](NC[C@H]1COc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000423125961 387905693 /nfs/dbraw/zinc/90/56/93/387905693.db2.gz RAXTUHUCWIZRQS-XQQFMLRXSA-N 1 3 246.354 1.750 20 0 BDADHO C1C[NH2+][C@H]([C@@H]2CCC[C@@H]2N[C@H]2CCCOC2)C1 ZINC000423133118 387910395 /nfs/dbraw/zinc/91/03/95/387910395.db2.gz VLLHPIXBQIXUPB-XUXIUFHCSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000423131752 387910488 /nfs/dbraw/zinc/91/04/88/387910488.db2.gz IKQYVZSMZGIQFZ-AEJSXWLSSA-N 1 3 223.320 1.564 20 0 BDADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423133826 387912274 /nfs/dbraw/zinc/91/22/74/387912274.db2.gz DDAXNKAQAWMBJM-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)OC ZINC000423133826 387912285 /nfs/dbraw/zinc/91/22/85/387912285.db2.gz DDAXNKAQAWMBJM-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])OC ZINC000423135756 387914006 /nfs/dbraw/zinc/91/40/06/387914006.db2.gz GMHWHMABMWUBOK-IJLUTSLNSA-N 1 3 214.353 1.661 20 0 BDADHO Cc1cccnc1C(C)(C)CN[C@H](C)C1C[NH2+]C1 ZINC000423138010 387916322 /nfs/dbraw/zinc/91/63/22/387916322.db2.gz ISZZGAVIIHDJNA-GFCCVEGCSA-N 1 3 247.386 1.865 20 0 BDADHO Cc1cccnc1C(C)(C)C[NH2+][C@H](C)C1CNC1 ZINC000423138010 387916327 /nfs/dbraw/zinc/91/63/27/387916327.db2.gz ISZZGAVIIHDJNA-GFCCVEGCSA-N 1 3 247.386 1.865 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423157107 387937242 /nfs/dbraw/zinc/93/72/42/387937242.db2.gz AHKJAXNJDIJJKY-OBPIAQAESA-N 1 3 224.348 1.020 20 0 BDADHO CC/C=C\CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423156251 387933704 /nfs/dbraw/zinc/93/37/04/387933704.db2.gz KUYFSCJUBAJBSR-PWUVMTTMSA-N 1 3 212.337 1.295 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423154844 387935112 /nfs/dbraw/zinc/93/51/12/387935112.db2.gz KDEIHARKUHFWGZ-WISYIIOYSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC[C@@H]1CCCC[C@H]1O ZINC000423154844 387935116 /nfs/dbraw/zinc/93/51/16/387935116.db2.gz KDEIHARKUHFWGZ-WISYIIOYSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1=CCCCC1 ZINC000423148500 387925368 /nfs/dbraw/zinc/92/53/68/387925368.db2.gz VMYDBBNGXBLOLY-FPMFFAJLSA-N 1 3 238.375 1.829 20 0 BDADHO CC[C@H]([NH2+]CC[C@@H](C)CCO)[C@@H]1CCCN1 ZINC000423147346 387926308 /nfs/dbraw/zinc/92/63/08/387926308.db2.gz RUFMSFQSDIOCTN-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000423167340 387952240 /nfs/dbraw/zinc/95/22/40/387952240.db2.gz SDWYMJABGNGWHA-RNJOBUHISA-N 1 3 226.364 1.804 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423168115 387953250 /nfs/dbraw/zinc/95/32/50/387953250.db2.gz GSZUAXDHCUFGQU-DHGKCCLASA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423168115 387953253 /nfs/dbraw/zinc/95/32/53/387953253.db2.gz GSZUAXDHCUFGQU-DHGKCCLASA-N 1 3 240.391 1.763 20 0 BDADHO COCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCCC1 ZINC000423169894 387953890 /nfs/dbraw/zinc/95/38/90/387953890.db2.gz WVRXKOSMDHNEGB-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000423159196 387939631 /nfs/dbraw/zinc/93/96/31/387939631.db2.gz FMZTYCOWCVHJIY-WHOHXGKFSA-N 1 3 212.337 1.412 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000424232698 387942291 /nfs/dbraw/zinc/94/22/91/387942291.db2.gz DQZCACDYPQEUQA-SNVBAGLBSA-N 1 3 247.342 1.248 20 0 BDADHO CO[C@@H]([C@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162572 387943168 /nfs/dbraw/zinc/94/31/68/387943168.db2.gz PXACBHLEDNYSOX-XMPFICBZSA-N 1 3 238.375 1.673 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000423162973 387945103 /nfs/dbraw/zinc/94/51/03/387945103.db2.gz LYNPKAAZYPLLEX-YTWAJWBKSA-N 1 3 200.326 1.269 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000423162974 387945643 /nfs/dbraw/zinc/94/56/43/387945643.db2.gz LYNPKAAZYPLLEX-ZRUFSTJUSA-N 1 3 200.326 1.269 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NC[C@@H]1CCCC[C@H]1O ZINC000423163118 387946340 /nfs/dbraw/zinc/94/63/40/387946340.db2.gz QTEPXAWQKDQFSW-NNYUYHANSA-N 1 3 212.337 1.007 20 0 BDADHO CC[C@@H](NC[C@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163149 387946925 /nfs/dbraw/zinc/94/69/25/387946925.db2.gz VATZJBUPTDIXQL-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@H]([NH2+]C[C@H](C)CCCO)[C@@H]1CCCN1 ZINC000423163149 387946927 /nfs/dbraw/zinc/94/69/27/387946927.db2.gz VATZJBUPTDIXQL-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@H]2[NH3+])C12CCC2 ZINC000423165223 387948239 /nfs/dbraw/zinc/94/82/39/387948239.db2.gz AUXQUBCEJSMQHF-NOOOWODRSA-N 1 3 224.348 1.413 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423166672 387949913 /nfs/dbraw/zinc/94/99/13/387949913.db2.gz VRLUZAMIMVJPDT-LOWDOPEQSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCCC1(C)C ZINC000423171330 387956527 /nfs/dbraw/zinc/95/65/27/387956527.db2.gz ZVABEJWSWUQHHJ-CHWSQXEVSA-N 1 3 239.407 1.448 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423172372 387959008 /nfs/dbraw/zinc/95/90/08/387959008.db2.gz SMOBSKQHIRILRP-YNEHKIRRSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)[C@@H](C)O1 ZINC000423178251 387963255 /nfs/dbraw/zinc/96/32/55/387963255.db2.gz IFODFJFSKHUZAQ-DHGKCCLASA-N 1 3 240.391 1.778 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423178177 387964580 /nfs/dbraw/zinc/96/45/80/387964580.db2.gz HWCBZQNRFVFMRN-WISYIIOYSA-N 1 3 220.316 1.853 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CS[C@H](C)C1 ZINC000423179717 387966119 /nfs/dbraw/zinc/96/61/19/387966119.db2.gz JVCLDKRTELVFPO-AXTSPUMRSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H](NCCC[NH3+])c1cccc(-n2ccnn2)c1 ZINC000423183227 387967519 /nfs/dbraw/zinc/96/75/19/387967519.db2.gz HKJFHNGNSLUYDJ-NSHDSACASA-N 1 3 245.330 1.267 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNCC[C@H]2C)CS1 ZINC000423183550 387968282 /nfs/dbraw/zinc/96/82/82/387968282.db2.gz MOPVDDHFZMDUNR-WYUUTHIRSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)CS1 ZINC000423183550 387968285 /nfs/dbraw/zinc/96/82/85/387968285.db2.gz MOPVDDHFZMDUNR-WYUUTHIRSA-N 1 3 228.405 1.858 20 0 BDADHO CO[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000245630830 387968394 /nfs/dbraw/zinc/96/83/94/387968394.db2.gz QCGBXINCNJPCQU-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CO[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000245630830 387968396 /nfs/dbraw/zinc/96/83/96/387968396.db2.gz QCGBXINCNJPCQU-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1CSCC[N@@H+]1CC[C@H]1CCCN1C ZINC000245683575 387971252 /nfs/dbraw/zinc/97/12/52/387971252.db2.gz URJKUOIPASQPNQ-VXGBXAGGSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H]1CSCC[N@H+]1CC[C@H]1CCCN1C ZINC000245683575 387971257 /nfs/dbraw/zinc/97/12/57/387971257.db2.gz URJKUOIPASQPNQ-VXGBXAGGSA-N 1 3 228.405 1.908 20 0 BDADHO CSc1ccccc1C[C@@H](C)NCC[NH3+] ZINC000423188057 387971567 /nfs/dbraw/zinc/97/15/67/387971567.db2.gz POAYASOPZOCIPI-SNVBAGLBSA-N 1 3 224.373 1.888 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423192137 387978010 /nfs/dbraw/zinc/97/80/10/387978010.db2.gz PNQPUFPZAPUQDI-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCNC ZINC000423202807 387989527 /nfs/dbraw/zinc/98/95/27/387989527.db2.gz RFEGVYBWHIDXAH-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH2+]C)C12CCC2 ZINC000423197679 387983312 /nfs/dbraw/zinc/98/33/12/387983312.db2.gz ANWMBBUFCMRWMQ-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO COCCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407808 387999723 /nfs/dbraw/zinc/99/97/23/387999723.db2.gz VMBOFTCCXKINIX-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000424385594 388001047 /nfs/dbraw/zinc/00/10/47/388001047.db2.gz WMGSHGIDAMYLEV-PPCPHDFISA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCN1 ZINC000424385594 388001051 /nfs/dbraw/zinc/00/10/51/388001051.db2.gz WMGSHGIDAMYLEV-PPCPHDFISA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)C1CNC1 ZINC000424385907 388002112 /nfs/dbraw/zinc/00/21/12/388002112.db2.gz WXPBWSCRTBAETD-GAFUQQFSSA-N 1 3 208.349 1.620 20 0 BDADHO CN(C)CCNC1CC[NH+](CC2CC2)CC1 ZINC000309676165 388009078 /nfs/dbraw/zinc/00/90/78/388009078.db2.gz XUEMCQAIGOJGQS-UHFFFAOYSA-N 1 3 225.380 1.012 20 0 BDADHO C[NH2+]CCCN(C)CCC1CCOCC1 ZINC000258814077 135102966 /nfs/dbraw/zinc/10/29/66/135102966.db2.gz SRSSVWWQYMQGFF-UHFFFAOYSA-N 1 3 214.353 1.344 20 0 BDADHO CNCCC[N@H+](C)CCC1CCOCC1 ZINC000258814077 135102968 /nfs/dbraw/zinc/10/29/68/135102968.db2.gz SRSSVWWQYMQGFF-UHFFFAOYSA-N 1 3 214.353 1.344 20 0 BDADHO CNCCC[N@@H+](C)CCC1CCOCC1 ZINC000258814077 135102970 /nfs/dbraw/zinc/10/29/70/135102970.db2.gz SRSSVWWQYMQGFF-UHFFFAOYSA-N 1 3 214.353 1.344 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000309671742 388010658 /nfs/dbraw/zinc/01/06/58/388010658.db2.gz WFZZUAOJLDDSHW-CHWSQXEVSA-N 1 3 228.380 1.590 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000423215784 387996842 /nfs/dbraw/zinc/99/68/42/387996842.db2.gz OVPFNSUURLNVGT-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](NC[C@@H](N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241586 388023704 /nfs/dbraw/zinc/02/37/04/388023704.db2.gz DHXWAKYHQVPOKZ-IACUBPJLSA-N 1 3 233.359 1.417 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@H]1CCOC ZINC000423250871 388033365 /nfs/dbraw/zinc/03/33/65/388033365.db2.gz UVSFKDIZQGBNQT-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO C[NH2+]CCN[C@@H](C)CCCc1cccnc1 ZINC000423251316 388033507 /nfs/dbraw/zinc/03/35/07/388033507.db2.gz VXQWKEZSGWYLFX-LBPRGKRZSA-N 1 3 221.348 1.602 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CC2CC(F)(F)C2)C1 ZINC000450405331 388035926 /nfs/dbraw/zinc/03/59/26/388035926.db2.gz QFCKBQTZHMXFKH-JTQLQIEISA-N 1 3 232.318 1.915 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000423255961 388036615 /nfs/dbraw/zinc/03/66/15/388036615.db2.gz BBFUDAZJYOXTMN-YNEHKIRRSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccn(C)n1 ZINC000423255629 388037042 /nfs/dbraw/zinc/03/70/42/388037042.db2.gz AKHHDPNJLBFJQV-RYUDHWBXSA-N 1 3 236.363 1.460 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CNC ZINC000423255525 388037066 /nfs/dbraw/zinc/03/70/66/388037066.db2.gz AHNYZVDOVKNEPG-AGIUHOORSA-N 1 3 228.380 1.637 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCn2cccn2)[C@@H](C)C1 ZINC000246292824 388029287 /nfs/dbraw/zinc/02/92/87/388029287.db2.gz CNRNDYLSULFQQC-QWHCGFSZSA-N 1 3 236.363 1.203 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCn2cccn2)[C@@H](C)C1 ZINC000246292824 388029289 /nfs/dbraw/zinc/02/92/89/388029289.db2.gz CNRNDYLSULFQQC-QWHCGFSZSA-N 1 3 236.363 1.203 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H](C)CCCOC ZINC000423275518 388057017 /nfs/dbraw/zinc/05/70/17/388057017.db2.gz NFHBUFRTCZGYOL-MNOVXSKESA-N 1 3 202.342 1.247 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H](C)CCCOC ZINC000423275517 388057039 /nfs/dbraw/zinc/05/70/39/388057039.db2.gz NFHBUFRTCZGYOL-GHMZBOCLSA-N 1 3 202.342 1.247 20 0 BDADHO Cc1nccnc1[C@H](C)NCC[C@H]1CCC[NH2+]C1 ZINC000423283973 388067453 /nfs/dbraw/zinc/06/74/53/388067453.db2.gz XVHZPHKGOZLECD-WCQYABFASA-N 1 3 248.374 1.825 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423287352 388071343 /nfs/dbraw/zinc/07/13/43/388071343.db2.gz LROFVWNMKASFCE-MXWKQRLJSA-N 1 3 226.364 1.517 20 0 BDADHO COc1ccc(C[C@@H](C)NCC(C)(C)[NH3+])cn1 ZINC000423286637 388071655 /nfs/dbraw/zinc/07/16/55/388071655.db2.gz HXLCJOOOGWIOQX-SNVBAGLBSA-N 1 3 237.347 1.348 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423286507 388072123 /nfs/dbraw/zinc/07/21/23/388072123.db2.gz HSDDCLGMABBFFB-NEPJUHHUSA-N 1 3 239.407 1.719 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423286507 388072125 /nfs/dbraw/zinc/07/21/25/388072125.db2.gz HSDDCLGMABBFFB-NEPJUHHUSA-N 1 3 239.407 1.719 20 0 BDADHO CC[C@H](Cn1cncn1)NCC([NH3+])(CC)CC ZINC000423288077 388073179 /nfs/dbraw/zinc/07/31/79/388073179.db2.gz QKHOWFLZLBVNIR-LLVKDONJSA-N 1 3 239.367 1.164 20 0 BDADHO CC[C@H](Cn1cncn1)[NH2+]CC(N)(CC)CC ZINC000423288077 388073181 /nfs/dbraw/zinc/07/31/81/388073181.db2.gz QKHOWFLZLBVNIR-LLVKDONJSA-N 1 3 239.367 1.164 20 0 BDADHO CC(C)([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423288261 388073420 /nfs/dbraw/zinc/07/34/20/388073420.db2.gz RHFFULAWFPKIKF-OUAUKWLOSA-N 1 3 224.348 1.271 20 0 BDADHO Cc1n[nH]cc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000084216290 388074779 /nfs/dbraw/zinc/07/47/79/388074779.db2.gz NHXSBEBKGKTSDZ-JQWIXIFHSA-N 1 3 222.336 1.325 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C(C)C ZINC000084217094 388075392 /nfs/dbraw/zinc/07/53/92/388075392.db2.gz XBXZVYRGFHLZEB-AGIUHOORSA-N 1 3 228.380 1.765 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C(C)C ZINC000084217091 388075686 /nfs/dbraw/zinc/07/56/86/388075686.db2.gz XBXZVYRGFHLZEB-UPJWGTAASA-N 1 3 228.380 1.765 20 0 BDADHO COc1ccc2c(c1)[C@@H](NC[C@H](C)C[NH3+])CC2 ZINC000423297150 388078004 /nfs/dbraw/zinc/07/80/04/388078004.db2.gz IYSDTCSNJZVZMQ-YGRLFVJLSA-N 1 3 234.343 1.867 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H]1CCO[C@@H]1C ZINC000423296693 388078183 /nfs/dbraw/zinc/07/81/83/388078183.db2.gz HJTOTZPKKOTURJ-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000447595103 388080814 /nfs/dbraw/zinc/08/08/14/388080814.db2.gz LCMUAFHEVNDSEK-UONOGXRCSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000085282114 388085895 /nfs/dbraw/zinc/08/58/95/388085895.db2.gz USOUBFKDIALJKA-RQJABVFESA-N 1 3 222.376 1.964 20 0 BDADHO C[C@H](O)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000118946269 388100038 /nfs/dbraw/zinc/10/00/38/388100038.db2.gz JBTDPOFJKGJVML-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423268129 388047082 /nfs/dbraw/zinc/04/70/82/388047082.db2.gz GBSBTFYVQLHLBL-SMDDNHRTSA-N 1 3 236.359 1.813 20 0 BDADHO CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000163989669 388120410 /nfs/dbraw/zinc/12/04/10/388120410.db2.gz DTQVZKCLGPXXKM-ZWKOPEQDSA-N 1 3 220.316 1.492 20 0 BDADHO CCCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104384 388143393 /nfs/dbraw/zinc/14/33/93/388143393.db2.gz LQJKQZFAEQQVLA-UHFFFAOYSA-N 1 3 240.391 1.973 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C(C)C ZINC000336662763 388260974 /nfs/dbraw/zinc/26/09/74/388260974.db2.gz CPKPLUPSNKASLC-UTUOFQBUSA-N 1 3 214.353 1.245 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000336662763 388260975 /nfs/dbraw/zinc/26/09/75/388260975.db2.gz CPKPLUPSNKASLC-UTUOFQBUSA-N 1 3 214.353 1.245 20 0 BDADHO CC(C)[C@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468534 388216213 /nfs/dbraw/zinc/21/62/13/388216213.db2.gz IQGOOUDHTHFPLP-GWCFXTLKSA-N 1 3 249.358 1.306 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414930164 256629655 /nfs/dbraw/zinc/62/96/55/256629655.db2.gz SOKNQEGKDBVYEX-GHMZBOCLSA-N 1 3 242.363 1.435 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000451813585 388297680 /nfs/dbraw/zinc/29/76/80/388297680.db2.gz RGAJWKZKVPSARJ-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1COCC1(C)C ZINC000451813585 388297682 /nfs/dbraw/zinc/29/76/82/388297682.db2.gz RGAJWKZKVPSARJ-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1COCC1(C)C ZINC000451813585 388297684 /nfs/dbraw/zinc/29/76/84/388297684.db2.gz RGAJWKZKVPSARJ-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000234966113 388362968 /nfs/dbraw/zinc/36/29/68/388362968.db2.gz DQZZXKDYPCJDGX-WRWGMCAJSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](N)C[C@H]1C ZINC000300376713 388363423 /nfs/dbraw/zinc/36/34/23/388363423.db2.gz JXEBAUYMGZKLKM-WRWGMCAJSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](N)C[C@H]1C ZINC000300376713 388363425 /nfs/dbraw/zinc/36/34/25/388363425.db2.gz JXEBAUYMGZKLKM-WRWGMCAJSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000300376713 388363427 /nfs/dbraw/zinc/36/34/27/388363427.db2.gz JXEBAUYMGZKLKM-WRWGMCAJSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@H]1C[C@H](NCCOC(C)(C)C)CC[N@@H+]1C ZINC000163719454 388366453 /nfs/dbraw/zinc/36/64/53/388366453.db2.gz HIAMMBXPBMBMSD-NWDGAFQWSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H]1C[C@H](NCCOC(C)(C)C)CC[N@H+]1C ZINC000163719454 388366455 /nfs/dbraw/zinc/36/64/55/388366455.db2.gz HIAMMBXPBMBMSD-NWDGAFQWSA-N 1 3 228.380 1.874 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCn2cccn2)C1 ZINC000163723505 388367047 /nfs/dbraw/zinc/36/70/47/388367047.db2.gz WKOXTYDTZYMVKW-NEPJUHHUSA-N 1 3 222.336 1.133 20 0 BDADHO C[C@H](CN)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000235449183 388369580 /nfs/dbraw/zinc/36/95/80/388369580.db2.gz KQRNOLIKIDGFED-CYBMUJFWSA-N 1 3 247.386 1.588 20 0 BDADHO CC1(C)[C@H](NCCC[NH+]2CCCCC2)C[C@@H]1O ZINC000163874824 388369988 /nfs/dbraw/zinc/36/99/88/388369988.db2.gz BBJWJZJGRNNZFT-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO [NH3+]CCOCCN1CCC[C@H]1c1ccncc1 ZINC000572722683 388370555 /nfs/dbraw/zinc/37/05/55/388370555.db2.gz LIASZEKWVXCSTO-ZDUSSCGKSA-N 1 3 235.331 1.194 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC2C[NH2+]C2)C1 ZINC000572749223 388371914 /nfs/dbraw/zinc/37/19/14/388371914.db2.gz KBOTUUDKARUOCN-GXTWGEPZSA-N 1 3 245.370 1.383 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000519536174 256650507 /nfs/dbraw/zinc/65/05/07/256650507.db2.gz JBWQCSNDUIPBKT-STQMWFEESA-N 1 3 240.391 1.754 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@H](NCC2(O)CCCC2)C1 ZINC000519536174 256650508 /nfs/dbraw/zinc/65/05/08/256650508.db2.gz JBWQCSNDUIPBKT-STQMWFEESA-N 1 3 240.391 1.754 20 0 BDADHO CC1(F)CC(N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000572855788 388381749 /nfs/dbraw/zinc/38/17/49/388381749.db2.gz MIJUYPQHFHOVFS-MFQSTILNSA-N 1 3 200.301 1.737 20 0 BDADHO CC(C)(C[NH3+])C(=O)Nc1cccc(CN)c1 ZINC000646579098 388388541 /nfs/dbraw/zinc/38/85/41/388388541.db2.gz QQDZRLDPYVWYTR-UHFFFAOYSA-N 1 3 221.304 1.069 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646579305 388388741 /nfs/dbraw/zinc/38/87/41/388388741.db2.gz VJLXGFDZDKCIDW-DTWKUNHWSA-N 1 3 221.304 1.067 20 0 BDADHO CC(C)([NH3+])CC(=O)Nc1cccc(CN)c1 ZINC000646579270 388389146 /nfs/dbraw/zinc/38/91/46/388389146.db2.gz ULCZPCJFLRLOIT-UHFFFAOYSA-N 1 3 221.304 1.211 20 0 BDADHO CC(C)[NH+]1CCC(NC[C@H](O)C2CCC2)CC1 ZINC000316216852 388406683 /nfs/dbraw/zinc/40/66/83/388406683.db2.gz REAOMSDTIZLWRI-AWEZNQCLSA-N 1 3 240.391 1.610 20 0 BDADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000404876741 388439677 /nfs/dbraw/zinc/43/96/77/388439677.db2.gz PGMNULPFWGXHTK-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccnc1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000404876741 388439678 /nfs/dbraw/zinc/43/96/78/388439678.db2.gz PGMNULPFWGXHTK-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccnc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000404876749 388439820 /nfs/dbraw/zinc/43/98/20/388439820.db2.gz PGMNULPFWGXHTK-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccnc1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000404876749 388439823 /nfs/dbraw/zinc/43/98/23/388439823.db2.gz PGMNULPFWGXHTK-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO CC(C)C[C@@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000307821762 388427675 /nfs/dbraw/zinc/42/76/75/388427675.db2.gz VFEDYDJQRFRIDO-AWEZNQCLSA-N 1 3 239.407 1.260 20 0 BDADHO CC(C)C[C@@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000307821762 388427676 /nfs/dbraw/zinc/42/76/76/388427676.db2.gz VFEDYDJQRFRIDO-AWEZNQCLSA-N 1 3 239.407 1.260 20 0 BDADHO C[C@H](NCCCC(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000393425033 388429333 /nfs/dbraw/zinc/42/93/33/388429333.db2.gz LMMAULJKZPHUJN-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166741219 388430315 /nfs/dbraw/zinc/43/03/15/388430315.db2.gz RDQLCMQNZNHFCR-CYBMUJFWSA-N 1 3 249.358 1.467 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000322335337 388432052 /nfs/dbraw/zinc/43/20/52/388432052.db2.gz QCAQVOJFKNFEQM-NQBHXWOUSA-N 1 3 208.349 1.882 20 0 BDADHO CSC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000517127819 388538655 /nfs/dbraw/zinc/53/86/55/388538655.db2.gz PIEGYJCWUBBEPD-GRYCIOLGSA-N 1 3 246.420 1.173 20 0 BDADHO CSC[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000517127819 388538660 /nfs/dbraw/zinc/53/86/60/388538660.db2.gz PIEGYJCWUBBEPD-GRYCIOLGSA-N 1 3 246.420 1.173 20 0 BDADHO CCN(CC)CCC[N@H+](CC)[C@H](C)CO ZINC000339626974 388486325 /nfs/dbraw/zinc/48/63/25/388486325.db2.gz KFDXPKBWRRBGQR-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](CC)[C@H](C)CO ZINC000339626974 388486327 /nfs/dbraw/zinc/48/63/27/388486327.db2.gz KFDXPKBWRRBGQR-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO Cc1ccncc1C[NH2+]CCCN(C)C ZINC000135432284 388495692 /nfs/dbraw/zinc/49/56/92/388495692.db2.gz ITYYKBMPGZVZKN-UHFFFAOYSA-N 1 3 207.321 1.431 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CCOC1(C)C ZINC000328193319 388586161 /nfs/dbraw/zinc/58/61/61/388586161.db2.gz BCXAJWTXWJLVRC-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCOC1(C)C ZINC000328193319 388586163 /nfs/dbraw/zinc/58/61/63/388586163.db2.gz BCXAJWTXWJLVRC-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCOC1 ZINC000246028907 388614494 /nfs/dbraw/zinc/61/44/94/388614494.db2.gz NIMMBYUPDUNYNV-WYUUTHIRSA-N 1 3 212.337 1.094 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCOC1 ZINC000246028907 388614497 /nfs/dbraw/zinc/61/44/97/388614497.db2.gz NIMMBYUPDUNYNV-WYUUTHIRSA-N 1 3 212.337 1.094 20 0 BDADHO C[C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CO1 ZINC000517566134 388553562 /nfs/dbraw/zinc/55/35/62/388553562.db2.gz NXYTWKRJTGMFEF-BXUZGUMPSA-N 1 3 238.375 1.628 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)Cc2ccccc2)C1 ZINC000521271335 388568350 /nfs/dbraw/zinc/56/83/50/388568350.db2.gz GQYMPYXRLDRSHO-QLFBSQMISA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000252714574 388574188 /nfs/dbraw/zinc/57/41/88/388574188.db2.gz SIBOQSJCAAIVDL-DGCLKSJQSA-N 1 3 225.380 1.010 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@@H]1C[C@@H](C)O ZINC000191815703 388670131 /nfs/dbraw/zinc/67/01/31/388670131.db2.gz WXRMCCXGSCPLEA-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000191815703 388670132 /nfs/dbraw/zinc/67/01/32/388670132.db2.gz WXRMCCXGSCPLEA-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000191815703 388670134 /nfs/dbraw/zinc/67/01/34/388670134.db2.gz WXRMCCXGSCPLEA-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000328344911 388625771 /nfs/dbraw/zinc/62/57/71/388625771.db2.gz LWIRWLIWONEWIF-REWJHTLYSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CCN1C ZINC000154518262 388626455 /nfs/dbraw/zinc/62/64/55/388626455.db2.gz AJSCCWPJWGCKSV-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO CNC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530209243 388627816 /nfs/dbraw/zinc/62/78/16/388627816.db2.gz INLDJZCHGRYNTQ-NSHDSACASA-N 1 3 210.365 1.964 20 0 BDADHO CNC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209243 388627818 /nfs/dbraw/zinc/62/78/18/388627818.db2.gz INLDJZCHGRYNTQ-NSHDSACASA-N 1 3 210.365 1.964 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000530209243 388627820 /nfs/dbraw/zinc/62/78/20/388627820.db2.gz INLDJZCHGRYNTQ-NSHDSACASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CC=CCC1)C1CNC1 ZINC000530219928 388631451 /nfs/dbraw/zinc/63/14/51/388631451.db2.gz LHTMLUOYAJLJMU-VXGBXAGGSA-N 1 3 208.349 1.930 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CC=CCC1)C1CNC1 ZINC000530219927 388632220 /nfs/dbraw/zinc/63/22/20/388632220.db2.gz LHTMLUOYAJLJMU-RYUDHWBXSA-N 1 3 208.349 1.930 20 0 BDADHO CCOCCN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246479312 388637949 /nfs/dbraw/zinc/63/79/49/388637949.db2.gz HNOYXUSXEGZNQP-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CCOCCN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246479312 388637951 /nfs/dbraw/zinc/63/79/51/388637951.db2.gz HNOYXUSXEGZNQP-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CCOC[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222991076 388647071 /nfs/dbraw/zinc/64/70/71/388647071.db2.gz UVQUYAJAHVVLPX-AXFHLTTASA-N 1 3 200.326 1.271 20 0 BDADHO C[C@H](CC[NH2+][C@@H](C)[C@H](C)O)N1CCCCC1 ZINC000516564373 388659349 /nfs/dbraw/zinc/65/93/49/388659349.db2.gz BVNZABOQVPBDRG-AGIUHOORSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](CCN[C@@H](C)[C@H](C)O)[NH+]1CCCCC1 ZINC000516564373 388659351 /nfs/dbraw/zinc/65/93/51/388659351.db2.gz BVNZABOQVPBDRG-AGIUHOORSA-N 1 3 228.380 1.610 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000250862117 388741143 /nfs/dbraw/zinc/74/11/43/388741143.db2.gz QLFTYWJZDOZHEF-QJPTWQEYSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H](CN(C)C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227542950 388752240 /nfs/dbraw/zinc/75/22/40/388752240.db2.gz CAGDPJHWDCHYHU-GDLCADMTSA-N 1 3 233.359 1.671 20 0 BDADHO C[C@@H]1CC(O)C[C@@H](C)N1CC[C@H]1CCC[N@@H+]1C ZINC000248734736 388692425 /nfs/dbraw/zinc/69/24/25/388692425.db2.gz BSCBFNJPFCSRII-JHJVBQTASA-N 1 3 240.391 1.704 20 0 BDADHO C[C@@H]1CC(O)C[C@@H](C)N1CC[C@H]1CCC[N@H+]1C ZINC000248734736 388692428 /nfs/dbraw/zinc/69/24/28/388692428.db2.gz BSCBFNJPFCSRII-JHJVBQTASA-N 1 3 240.391 1.704 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)O)[C@H]1CCCN(C2CCC2)C1 ZINC000249385214 388719612 /nfs/dbraw/zinc/71/96/12/388719612.db2.gz BIOQTTJBFYCJEW-XQQFMLRXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](NC[C@H](C)O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249385214 388719615 /nfs/dbraw/zinc/71/96/15/388719615.db2.gz BIOQTTJBFYCJEW-XQQFMLRXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](NC[C@H](C)O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249385214 388719618 /nfs/dbraw/zinc/71/96/18/388719618.db2.gz BIOQTTJBFYCJEW-XQQFMLRXSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@H](O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000253037926 388799200 /nfs/dbraw/zinc/79/92/00/388799200.db2.gz YSYJIDAWXDDHMJ-XQQFMLRXSA-N 1 3 228.380 1.658 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN[C@H]1C[C@H](O)C1(C)C ZINC000253096405 388803824 /nfs/dbraw/zinc/80/38/24/388803824.db2.gz LSOPESNUDIMQDQ-AGIUHOORSA-N 1 3 240.391 1.610 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN[C@H]1C[C@H](O)C1(C)C ZINC000253096405 388803832 /nfs/dbraw/zinc/80/38/32/388803832.db2.gz LSOPESNUDIMQDQ-AGIUHOORSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000228065960 388767417 /nfs/dbraw/zinc/76/74/17/388767417.db2.gz MFIBJVDGBHCERW-UKKRHICBSA-N 1 3 200.326 1.005 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228065960 388767421 /nfs/dbraw/zinc/76/74/21/388767421.db2.gz MFIBJVDGBHCERW-UKKRHICBSA-N 1 3 200.326 1.005 20 0 BDADHO O[C@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000252733220 388778284 /nfs/dbraw/zinc/77/82/84/388778284.db2.gz YKQGSUPOBNAGAZ-FQUUOJAGSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000252733220 388778288 /nfs/dbraw/zinc/77/82/88/388778288.db2.gz YKQGSUPOBNAGAZ-FQUUOJAGSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000252733220 388778290 /nfs/dbraw/zinc/77/82/90/388778290.db2.gz YKQGSUPOBNAGAZ-FQUUOJAGSA-N 1 3 238.375 1.506 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCNC2)C1 ZINC000564440437 388876136 /nfs/dbraw/zinc/87/61/36/388876136.db2.gz FHHOQZCXAZQGPQ-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN(C)CC1CCCC1 ZINC000565092963 388913740 /nfs/dbraw/zinc/91/37/40/388913740.db2.gz NOVAIWVRNJRQQV-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](NCCN1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400704788 533395832 /nfs/dbraw/zinc/39/58/32/533395832.db2.gz KQLLEOLCZGBVOZ-KGLIPLIRSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@@H](N[C@@H](C)[C@H]1CC[NH2+]C1)[C@H]1CCCCO1 ZINC000400377114 533502231 /nfs/dbraw/zinc/50/22/31/533502231.db2.gz IYKRVJPYXIVNFM-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1cc(N2C[C@H](C)N(C)C[C@H]2C)cc[nH+]1 ZINC000336626367 132249199 /nfs/dbraw/zinc/24/91/99/132249199.db2.gz XBVVYVYSCAOOSS-NWDGAFQWSA-N 1 3 219.332 1.919 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)[C@@H](C)CN1C ZINC000351925669 134007309 /nfs/dbraw/zinc/00/73/09/134007309.db2.gz FHQYIAVJIWIBDQ-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)[C@@H](C)CN1C ZINC000351925669 134007310 /nfs/dbraw/zinc/00/73/10/134007310.db2.gz FHQYIAVJIWIBDQ-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@H](O)CN(C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000352004785 134034256 /nfs/dbraw/zinc/03/42/56/134034256.db2.gz QCEFAOMAZTZUBG-RYUDHWBXSA-N 1 3 246.370 1.512 20 0 BDADHO Cc1n[nH]cc1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336021859 134056219 /nfs/dbraw/zinc/05/62/19/134056219.db2.gz OWBFKQPRYOUQAX-CYBMUJFWSA-N 1 3 248.374 1.540 20 0 BDADHO CCN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](C)O ZINC000352210152 134107364 /nfs/dbraw/zinc/10/73/64/134107364.db2.gz FPNDAGPFIBDMBS-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC[C@H]1CCCC[N@H+]1C)C[C@H](C)O ZINC000352210152 134107365 /nfs/dbraw/zinc/10/73/65/134107365.db2.gz FPNDAGPFIBDMBS-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](C)O ZINC000352210151 134107410 /nfs/dbraw/zinc/10/74/10/134107410.db2.gz FPNDAGPFIBDMBS-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)O ZINC000352210151 134107411 /nfs/dbraw/zinc/10/74/11/134107411.db2.gz FPNDAGPFIBDMBS-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C[C@@H]1CN ZINC000167594803 134116613 /nfs/dbraw/zinc/11/66/13/134116613.db2.gz CUAWNJXQLKRCRC-AGIUHOORSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1CN ZINC000167594803 134116614 /nfs/dbraw/zinc/11/66/14/134116614.db2.gz CUAWNJXQLKRCRC-AGIUHOORSA-N 1 3 226.364 1.330 20 0 BDADHO c1coc(CCN[C@H]2CCC[NH2+]CC2)c1 ZINC000168718710 134246493 /nfs/dbraw/zinc/24/64/93/134246493.db2.gz ARMHJSKVYPOPCA-NSHDSACASA-N 1 3 208.305 1.554 20 0 BDADHO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000168762208 134247884 /nfs/dbraw/zinc/24/78/84/134247884.db2.gz SYXQEORIHDDVFO-JHJVBQTASA-N 1 3 226.364 1.269 20 0 BDADHO O[C@@H]1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168762208 134247885 /nfs/dbraw/zinc/24/78/85/134247885.db2.gz SYXQEORIHDDVFO-JHJVBQTASA-N 1 3 226.364 1.269 20 0 BDADHO CCN(CCN[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000217506267 134248807 /nfs/dbraw/zinc/24/88/07/134248807.db2.gz XGKPLESKBAKPOU-YPMHNXCESA-N 1 3 225.380 1.188 20 0 BDADHO C[C@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000169237476 134250064 /nfs/dbraw/zinc/25/00/64/134250064.db2.gz USSFRRDPOWPLCP-KPXOXKRLSA-N 1 3 206.289 1.102 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000219321058 134281632 /nfs/dbraw/zinc/28/16/32/134281632.db2.gz DOVCRRBLRMEWJT-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1ccc(CN[C@H](C)CC[NH3+])cc1F ZINC000220523451 134309468 /nfs/dbraw/zinc/30/94/68/134309468.db2.gz QMRBKRKWKZXHGP-SNVBAGLBSA-N 1 3 210.296 1.961 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220946870 134315320 /nfs/dbraw/zinc/31/53/20/134315320.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220946870 134315321 /nfs/dbraw/zinc/31/53/21/134315321.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220946870 134315322 /nfs/dbraw/zinc/31/53/22/134315322.db2.gz NETAXUXTSYKSQU-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO C1CC1N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000222048369 134329505 /nfs/dbraw/zinc/32/95/05/134329505.db2.gz VXWBCPPDCUIEKU-VNHYZAJKSA-N 1 3 249.402 1.440 20 0 BDADHO C1CC1N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000222048369 134329506 /nfs/dbraw/zinc/32/95/06/134329506.db2.gz VXWBCPPDCUIEKU-VNHYZAJKSA-N 1 3 249.402 1.440 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H](CO)Cc1ccccc1 ZINC000227087652 134374834 /nfs/dbraw/zinc/37/48/34/134374834.db2.gz AFJDUXITULVNIY-ZNMIVQPWSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000227087652 134374835 /nfs/dbraw/zinc/37/48/35/134374835.db2.gz AFJDUXITULVNIY-ZNMIVQPWSA-N 1 3 248.370 1.307 20 0 BDADHO CC1CCC([NH2+]CCOCCN(C)C)CC1 ZINC000231675880 134542636 /nfs/dbraw/zinc/54/26/36/134542636.db2.gz YJBSIFXUJVAHCN-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000070656799 135007816 /nfs/dbraw/zinc/00/78/16/135007816.db2.gz YOZXIHJQUCYXSM-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](COC)NC[C@@H](C)C[NH+]1CCCC1 ZINC000070656799 135007818 /nfs/dbraw/zinc/00/78/18/135007818.db2.gz YOZXIHJQUCYXSM-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cc(N2CCN(C[C@@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000248665017 135018393 /nfs/dbraw/zinc/01/83/93/135018393.db2.gz LBDCLPIPRXHCAW-CHWSQXEVSA-N 1 3 249.358 1.281 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250314064 135051208 /nfs/dbraw/zinc/05/12/08/135051208.db2.gz MFWFTJOMEKSMBP-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000251357631 135068709 /nfs/dbraw/zinc/06/87/09/135068709.db2.gz UPULBHXGRKMVNR-RDBSUJKOSA-N 1 3 240.391 1.874 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000251357631 135068711 /nfs/dbraw/zinc/06/87/11/135068711.db2.gz UPULBHXGRKMVNR-RDBSUJKOSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H]2CCCNC2)C1 ZINC000251720086 135075671 /nfs/dbraw/zinc/07/56/71/135075671.db2.gz BZNDIWKLEZLXFA-XQQFMLRXSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@H+](C[C@H]2CCCNC2)C1 ZINC000251720086 135075674 /nfs/dbraw/zinc/07/56/74/135075674.db2.gz BZNDIWKLEZLXFA-XQQFMLRXSA-N 1 3 210.365 1.964 20 0 BDADHO [NH3+]CCOCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000086435889 135084820 /nfs/dbraw/zinc/08/48/20/135084820.db2.gz LHGKOMWKWQKSLJ-SECBINFHSA-N 1 3 240.269 1.236 20 0 BDADHO CCOCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500995 135087386 /nfs/dbraw/zinc/08/73/86/135087386.db2.gz KKRXMIXOWUASTG-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO CC(C)OCCN(C)CC(C)(C)C[NH3+] ZINC000086638353 135091481 /nfs/dbraw/zinc/09/14/81/135091481.db2.gz BXUULUOACCCQAB-UHFFFAOYSA-N 1 3 202.342 1.328 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000252711980 135100297 /nfs/dbraw/zinc/10/02/97/135100297.db2.gz LDRCCSUBWPXCCT-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@H]1C ZINC000253069077 135120379 /nfs/dbraw/zinc/12/03/79/135120379.db2.gz LIIJGHWEHZTNSE-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)OCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253266727 135125654 /nfs/dbraw/zinc/12/56/54/135125654.db2.gz XVGASSZFNNERDX-NWDGAFQWSA-N 1 3 214.353 1.328 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000087478936 135143691 /nfs/dbraw/zinc/14/36/91/135143691.db2.gz NCJDXNFGOJJOGB-STQMWFEESA-N 1 3 228.380 1.589 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000087478933 135144057 /nfs/dbraw/zinc/14/40/57/135144057.db2.gz NCJDXNFGOJJOGB-OLZOCXBDSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H]1CC[N@H+](CC(C)(C)N)CCS1 ZINC000261527570 135152299 /nfs/dbraw/zinc/15/22/99/135152299.db2.gz CWXRPSOBHLJUHY-SECBINFHSA-N 1 3 202.367 1.551 20 0 BDADHO C[C@@H]1CC[N@@H+](CC(C)(C)N)CCS1 ZINC000261527570 135152301 /nfs/dbraw/zinc/15/23/01/135152301.db2.gz CWXRPSOBHLJUHY-SECBINFHSA-N 1 3 202.367 1.551 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000261528601 135154551 /nfs/dbraw/zinc/15/45/51/135154551.db2.gz MNZUIWMKZQMCCZ-GARJFASQSA-N 1 3 214.378 1.599 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000261529072 135154976 /nfs/dbraw/zinc/15/49/76/135154976.db2.gz AHAILEMNOCMUBN-SRVKXCTJSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000261529454 135155801 /nfs/dbraw/zinc/15/58/01/135155801.db2.gz SGJATRYICFSJCS-MXWKQRLJSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCCSC1 ZINC000261529454 135155803 /nfs/dbraw/zinc/15/58/03/135155803.db2.gz SGJATRYICFSJCS-MXWKQRLJSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@H]1N ZINC000261529557 135155958 /nfs/dbraw/zinc/15/59/58/135155958.db2.gz TWBHURMPEJXOKN-OUAUKWLOSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@H]1N ZINC000261529557 135155959 /nfs/dbraw/zinc/15/59/59/135155959.db2.gz TWBHURMPEJXOKN-OUAUKWLOSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCSC2)CC[C@H]1[NH3+] ZINC000261529557 135155961 /nfs/dbraw/zinc/15/59/61/135155961.db2.gz TWBHURMPEJXOKN-OUAUKWLOSA-N 1 3 214.378 1.409 20 0 BDADHO C[N@H+](CC[C@H]1CCCO1)CC(C)(C)N ZINC000261529693 135156505 /nfs/dbraw/zinc/15/65/05/135156505.db2.gz BJIIKNGHHOPTAY-SNVBAGLBSA-N 1 3 200.326 1.225 20 0 BDADHO C[N@@H+](CC[C@H]1CCCO1)CC(C)(C)N ZINC000261529693 135156507 /nfs/dbraw/zinc/15/65/07/135156507.db2.gz BJIIKNGHHOPTAY-SNVBAGLBSA-N 1 3 200.326 1.225 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccsc3)C[C@@H]12 ZINC000261531456 135159813 /nfs/dbraw/zinc/15/98/13/135159813.db2.gz GOSNKUFOSOYWGI-IJLUTSLNSA-N 1 3 222.357 1.917 20 0 BDADHO CC(C)COCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261533902 135165941 /nfs/dbraw/zinc/16/59/41/135165941.db2.gz KYZHLJMLJQLVOZ-STQMWFEESA-N 1 3 228.380 1.718 20 0 BDADHO CO[C@H](C)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000261534981 135168886 /nfs/dbraw/zinc/16/88/86/135168886.db2.gz VBSACFWNWZXJHX-JIMOISOXSA-N 1 3 220.316 1.756 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCNC[C@@H]1C ZINC000261534911 135169032 /nfs/dbraw/zinc/16/90/32/135169032.db2.gz NJPZKYIVEGKNRB-QWRGUYRKSA-N 1 3 214.353 1.247 20 0 BDADHO CC[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000261535505 135169512 /nfs/dbraw/zinc/16/95/12/135169512.db2.gz ZXVGZWMAOHXBOF-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H]1C[N@H+](C[C@@H]2CCCNC2)CCCO1 ZINC000261535505 135169514 /nfs/dbraw/zinc/16/95/14/135169514.db2.gz ZXVGZWMAOHXBOF-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@H]1C[N@@H+](C[C@@H]2CCCNC2)CCCO1 ZINC000261535505 135169515 /nfs/dbraw/zinc/16/95/15/135169515.db2.gz ZXVGZWMAOHXBOF-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000261535778 135170298 /nfs/dbraw/zinc/17/02/98/135170298.db2.gz PDHGBUKNOZAVBG-IJLUTSLNSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000261535778 135170299 /nfs/dbraw/zinc/17/02/99/135170299.db2.gz PDHGBUKNOZAVBG-IJLUTSLNSA-N 1 3 228.405 1.656 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000261540125 135179187 /nfs/dbraw/zinc/17/91/87/135179187.db2.gz DTOJTHXRXBZCFB-YPMHNXCESA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@](C)(N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000261540125 135179188 /nfs/dbraw/zinc/17/91/88/135179188.db2.gz DTOJTHXRXBZCFB-YPMHNXCESA-N 1 3 243.395 1.350 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1(C)C ZINC000261540139 135179300 /nfs/dbraw/zinc/17/93/00/135179300.db2.gz DWJFCBZOYVZYSH-FVCCEPFGSA-N 1 3 240.391 1.907 20 0 BDADHO c1ccc(CCN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261542158 135182475 /nfs/dbraw/zinc/18/24/75/135182475.db2.gz BWNDORPPFRHSFD-LSDHHAIUSA-N 1 3 230.355 1.770 20 0 BDADHO CCC(C)(C)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261542020 135182599 /nfs/dbraw/zinc/18/25/99/135182599.db2.gz GIKXCWZHNDMXRY-TXEJJXNPSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@]1(CN2CC[C@@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543681 135184728 /nfs/dbraw/zinc/18/47/28/135184728.db2.gz HXWMLVPRKRPQGX-CHWSQXEVSA-N 1 3 208.349 1.718 20 0 BDADHO C([C@H]1CCOC1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261544714 135186322 /nfs/dbraw/zinc/18/63/22/135186322.db2.gz ZFNONOWLHVGJMS-QWHCGFSZSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@H]1CCOC1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261544714 135186323 /nfs/dbraw/zinc/18/63/23/135186323.db2.gz ZFNONOWLHVGJMS-QWHCGFSZSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@H]1CCOC1)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261544714 135186325 /nfs/dbraw/zinc/18/63/25/135186325.db2.gz ZFNONOWLHVGJMS-QWHCGFSZSA-N 1 3 238.375 1.487 20 0 BDADHO Cn1cc(CCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261550861 135189926 /nfs/dbraw/zinc/18/99/26/135189926.db2.gz RIZOQUJSELHVMN-MJBXVCDLSA-N 1 3 248.374 1.022 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccnc1 ZINC000084193915 135191126 /nfs/dbraw/zinc/19/11/26/135191126.db2.gz SUSLHZBVOQSJOM-VXGBXAGGSA-N 1 3 205.305 1.299 20 0 BDADHO CCC1(C[N@@H+]2CC[C@H](CNC)C2)CCOCC1 ZINC000261552280 135191191 /nfs/dbraw/zinc/19/11/91/135191191.db2.gz MVTZNLHRQVTHEL-CYBMUJFWSA-N 1 3 240.391 1.735 20 0 BDADHO CCC1(C[N@H+]2CC[C@H](CNC)C2)CCOCC1 ZINC000261552280 135191192 /nfs/dbraw/zinc/19/11/92/135191192.db2.gz MVTZNLHRQVTHEL-CYBMUJFWSA-N 1 3 240.391 1.735 20 0 BDADHO CSCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216903 135192500 /nfs/dbraw/zinc/19/25/00/135192500.db2.gz HASYXFIFLGRINO-GHMZBOCLSA-N 1 3 216.394 1.847 20 0 BDADHO C[C@H]1CSCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261553209 135192680 /nfs/dbraw/zinc/19/26/80/135192680.db2.gz SIUKBTOPRKZUDD-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559320 135199996 /nfs/dbraw/zinc/19/99/96/135199996.db2.gz TXAUUFNXIRKWLB-IAQYHMDHSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@H]1NC1Cc2ccccc2C1 ZINC000261559320 135199997 /nfs/dbraw/zinc/19/99/97/135199997.db2.gz TXAUUFNXIRKWLB-IAQYHMDHSA-N 1 3 230.355 1.741 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000261560067 135200177 /nfs/dbraw/zinc/20/01/77/135200177.db2.gz ZMCNCLMPIYBPAL-DGCLKSJQSA-N 1 3 208.349 1.718 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000261560067 135200179 /nfs/dbraw/zinc/20/01/79/135200179.db2.gz ZMCNCLMPIYBPAL-DGCLKSJQSA-N 1 3 208.349 1.718 20 0 BDADHO COCc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000261585097 135225826 /nfs/dbraw/zinc/22/58/26/135225826.db2.gz QDQCCKYEPQDKAM-QWRGUYRKSA-N 1 3 222.332 1.658 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261591164 135231919 /nfs/dbraw/zinc/23/19/19/135231919.db2.gz VCQZCABLUQSLFG-YNEHKIRRSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)C[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261591164 135231920 /nfs/dbraw/zinc/23/19/20/135231920.db2.gz VCQZCABLUQSLFG-YNEHKIRRSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOCC1CC1 ZINC000261595425 135234965 /nfs/dbraw/zinc/23/49/65/135234965.db2.gz YCIYMDXTJMQHDA-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@]1(CN2CCC3(C2)CCOCC3)CC[NH2+]C1 ZINC000261546800 135239248 /nfs/dbraw/zinc/23/92/48/135239248.db2.gz HJJRNNYIMYXVJG-CYBMUJFWSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@@H]1CCC[NH2+]C1)N1CCCC2(CC2)C1 ZINC000261547120 135240424 /nfs/dbraw/zinc/24/04/24/135240424.db2.gz LWILBLWGQUSISJ-GFCCVEGCSA-N 1 3 208.349 1.862 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CCCC2(CC2)C1 ZINC000261547120 135240425 /nfs/dbraw/zinc/24/04/25/135240425.db2.gz LWILBLWGQUSISJ-GFCCVEGCSA-N 1 3 208.349 1.862 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CCCC2(CC2)C1 ZINC000261547120 135240427 /nfs/dbraw/zinc/24/04/27/135240427.db2.gz LWILBLWGQUSISJ-GFCCVEGCSA-N 1 3 208.349 1.862 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@H](C)CN1C ZINC000261654265 135242523 /nfs/dbraw/zinc/24/25/23/135242523.db2.gz BGTBJKWNSHSIJM-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO C[C@H](CNC1=[NH+]CCCN1)N1CCC[C@@H](C)C1 ZINC000261699475 135246619 /nfs/dbraw/zinc/24/66/19/135246619.db2.gz CJMWWFSCWRTOFE-VXGBXAGGSA-N 1 3 238.379 1.046 20 0 BDADHO CN(C)c1ccccc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261730552 135248160 /nfs/dbraw/zinc/24/81/60/135248160.db2.gz OFRXPCCJGKUZIN-HNNXBMFYSA-N 1 3 247.386 1.923 20 0 BDADHO COCC1(C)CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261751290 135249990 /nfs/dbraw/zinc/24/99/90/135249990.db2.gz JVJHHEAWVAJMNR-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO C(CN1CC[C@]2(CC[NH2+]C2)C1)[C@H]1CCOC1 ZINC000261997217 135270657 /nfs/dbraw/zinc/27/06/57/135270657.db2.gz KYECFSVHPLATGM-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000262080557 135277522 /nfs/dbraw/zinc/27/75/22/135277522.db2.gz AXOMRLMSFKEHPZ-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000262080557 135277524 /nfs/dbraw/zinc/27/75/24/135277524.db2.gz AXOMRLMSFKEHPZ-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]([NH3+])C1CCN(CCOCC(F)F)CC1 ZINC000262081282 135277740 /nfs/dbraw/zinc/27/77/40/135277740.db2.gz FCJKTZQNBBCCEZ-SECBINFHSA-N 1 3 236.306 1.327 20 0 BDADHO c1ccc2c(c1)C[C@H](N[C@@H]1CCC[NH2+]CC1)CO2 ZINC000262252894 135287983 /nfs/dbraw/zinc/28/79/83/135287983.db2.gz QEWARIQDFROCFE-KGLIPLIRSA-N 1 3 246.354 1.722 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@@H]1CCCOC1 ZINC000348141629 136039000 /nfs/dbraw/zinc/03/90/00/136039000.db2.gz ZDFRSTGVUCLFPL-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)CN1CCCC1 ZINC000120312047 397996052 /nfs/dbraw/zinc/99/60/52/397996052.db2.gz YLYPPTXFQGVXON-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](CN[C@@H]1CCO[C@H]1C)C[NH+]1CCCC1 ZINC000120312047 397996055 /nfs/dbraw/zinc/99/60/55/397996055.db2.gz YLYPPTXFQGVXON-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CCCN(CC(=O)OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676564 398014709 /nfs/dbraw/zinc/01/47/09/398014709.db2.gz VGXBZNLFJXOUME-VXGBXAGGSA-N 1 3 242.363 1.260 20 0 BDADHO C[C@@H](C[NH2+]Cc1ccc(CO)cc1)CN(C)C ZINC000383559586 398031854 /nfs/dbraw/zinc/03/18/54/398031854.db2.gz DPSNIANWIRRIHN-LBPRGKRZSA-N 1 3 236.359 1.466 20 0 BDADHO CC(C)(CO)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000643475058 398076340 /nfs/dbraw/zinc/07/63/40/398076340.db2.gz ULNIBISUQBXFPD-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO CCCC[NH+]1CCC(N[C@@H](C)[C@H](C)O)CC1 ZINC000564857895 398077291 /nfs/dbraw/zinc/07/72/91/398077291.db2.gz ZTNNJUFWJTYKMX-RYUDHWBXSA-N 1 3 228.380 1.610 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CNC[C@@H]1CCCOC1 ZINC000414923806 398100199 /nfs/dbraw/zinc/10/01/99/398100199.db2.gz GBJPJNBROVCTOY-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)O1 ZINC000384735917 398103391 /nfs/dbraw/zinc/10/33/91/398103391.db2.gz KPXOWCSAPUFSEB-IIRVCBMXSA-N 1 3 212.337 1.412 20 0 BDADHO CCC[C@@H](C)CNC[C@]1(COC)CCC[NH2+]1 ZINC000414948282 398122740 /nfs/dbraw/zinc/12/27/40/398122740.db2.gz WYQCWYMMPBUXLR-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCCC[C@H]2O)C1 ZINC000393282061 487571300 /nfs/dbraw/zinc/57/13/00/487571300.db2.gz YXEIPLAHFDURTH-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000393282061 487571304 /nfs/dbraw/zinc/57/13/04/487571304.db2.gz YXEIPLAHFDURTH-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000393282061 487571306 /nfs/dbraw/zinc/57/13/06/487571306.db2.gz YXEIPLAHFDURTH-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)OC[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337330326 167254870 /nfs/dbraw/zinc/25/48/70/167254870.db2.gz GNOFIBFUAZROJU-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OC[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337330326 167254873 /nfs/dbraw/zinc/25/48/73/167254873.db2.gz GNOFIBFUAZROJU-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000070356915 487589894 /nfs/dbraw/zinc/58/98/94/487589894.db2.gz RQPXJFHZZYVFAI-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCN(C(C)C)C1)C1CC1 ZINC000228163100 487594368 /nfs/dbraw/zinc/59/43/68/487594368.db2.gz HIFFUVSOJAFGJE-TZMCWYRMSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@@H](NC[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000228163100 487594376 /nfs/dbraw/zinc/59/43/76/487594376.db2.gz HIFFUVSOJAFGJE-TZMCWYRMSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@@H](NC[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000228163100 487594382 /nfs/dbraw/zinc/59/43/82/487594382.db2.gz HIFFUVSOJAFGJE-TZMCWYRMSA-N 1 3 240.391 1.731 20 0 BDADHO C(C[C@H]1CCOC1)NC[C@@H]1CCCC[NH2+]1 ZINC000232450005 487594578 /nfs/dbraw/zinc/59/45/78/487594578.db2.gz QCCAOSSPEKGOQX-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO CC(C)Oc1ccc(CNCCC[NH3+])cc1 ZINC000037713688 167294954 /nfs/dbraw/zinc/29/49/54/167294954.db2.gz DRSNOEZZCVCAIS-UHFFFAOYSA-N 1 3 222.332 1.912 20 0 BDADHO CC(C)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000145060950 487603218 /nfs/dbraw/zinc/60/32/18/487603218.db2.gz WEKZNHIQKNXXOV-ZDUSSCGKSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000662417624 487604400 /nfs/dbraw/zinc/60/44/00/487604400.db2.gz LZSYZATUJLBCSN-ZWNOBZJWSA-N 1 3 247.342 1.027 20 0 BDADHO CO[C@H](CN1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267408 409568435 /nfs/dbraw/zinc/56/84/35/409568435.db2.gz VEZVTBBFIQCCDV-KGLIPLIRSA-N 1 3 238.375 1.487 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H](OC)C2CCCC2)C1 ZINC000662244136 409535389 /nfs/dbraw/zinc/53/53/89/409535389.db2.gz CRKCLSGTRUXEJG-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](CN1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000662267405 409569165 /nfs/dbraw/zinc/56/91/65/409569165.db2.gz VEZVTBBFIQCCDV-KBPBESRZSA-N 1 3 238.375 1.487 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@@H](CN)C1)C1CCC1 ZINC000662246065 409541208 /nfs/dbraw/zinc/54/12/08/409541208.db2.gz NSKKGOYRBFAHJM-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@@H](CN)C1)C1CCC1 ZINC000662246065 409541215 /nfs/dbraw/zinc/54/12/15/409541215.db2.gz NSKKGOYRBFAHJM-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@@H](OC)C2CCC2)C1 ZINC000662247161 409543879 /nfs/dbraw/zinc/54/38/79/409543879.db2.gz UKRGGAIIMMZYNE-DGCLKSJQSA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662251670 409548157 /nfs/dbraw/zinc/54/81/57/409548157.db2.gz DGVMTWQGCAXHSW-RYUDHWBXSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662251670 409548161 /nfs/dbraw/zinc/54/81/61/409548161.db2.gz DGVMTWQGCAXHSW-RYUDHWBXSA-N 1 3 224.348 1.382 20 0 BDADHO CC[N@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662254720 409552850 /nfs/dbraw/zinc/55/28/50/409552850.db2.gz KCNGUUUKCPSGES-GFCCVEGCSA-N 1 3 224.348 1.239 20 0 BDADHO CC[N@@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662254720 409552859 /nfs/dbraw/zinc/55/28/59/409552859.db2.gz KCNGUUUKCPSGES-GFCCVEGCSA-N 1 3 224.348 1.239 20 0 BDADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)C(C)C ZINC000653211292 410166093 /nfs/dbraw/zinc/16/60/93/410166093.db2.gz SMEFGUAROBRGAA-ZDUSSCGKSA-N 1 3 249.358 1.006 20 0 BDADHO CN(CCC[NH3+])Cc1cccc2c1CCC2 ZINC000650703405 410332232 /nfs/dbraw/zinc/33/22/32/410332232.db2.gz YUILESZOCZIBBY-UHFFFAOYSA-N 1 3 218.344 1.956 20 0 BDADHO COCC(C)(C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709850 410340741 /nfs/dbraw/zinc/34/07/41/410340741.db2.gz SZHGZKCHOZCVQI-JSGCOSHPSA-N 1 3 240.391 1.720 20 0 BDADHO COCC(C)(C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709850 410340745 /nfs/dbraw/zinc/34/07/45/410340745.db2.gz SZHGZKCHOZCVQI-JSGCOSHPSA-N 1 3 240.391 1.720 20 0 BDADHO CCOC[C@H](C)NCc1ccccc1C[NH2+]C ZINC000650719202 410354926 /nfs/dbraw/zinc/35/49/26/410354926.db2.gz HNYNAWSZJMIXTB-LBPRGKRZSA-N 1 3 236.359 1.921 20 0 BDADHO Cc1cc([C@@H](C)NCCC2(C[NH3+])CC2)nn1C ZINC000650746716 410385897 /nfs/dbraw/zinc/38/58/97/410385897.db2.gz JOZYUMSQZPWSGY-LLVKDONJSA-N 1 3 236.363 1.508 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccncn1 ZINC000650748691 410390504 /nfs/dbraw/zinc/39/05/04/410390504.db2.gz ZWVTYVBLHLZCJC-JTQLQIEISA-N 1 3 220.320 1.256 20 0 BDADHO C[C@H](COCC1CC1)N[C@H](C)C[C@H](C)[NH3+] ZINC000650761320 410410089 /nfs/dbraw/zinc/41/00/89/410410089.db2.gz XLUVTHMQOLXDLD-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000300398268 410533053 /nfs/dbraw/zinc/53/30/53/410533053.db2.gz SVQAUNBFXDIALG-AVGNSLFASA-N 1 3 228.380 1.502 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665244493 410730140 /nfs/dbraw/zinc/73/01/40/410730140.db2.gz OYWQAZLMGWDNNL-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000665261363 410736597 /nfs/dbraw/zinc/73/65/97/410736597.db2.gz ACEJUMHTLKSBRZ-NXEZZACHSA-N 1 3 202.317 1.984 20 0 BDADHO CO[C@@H](CN[C@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283016 410763111 /nfs/dbraw/zinc/76/31/11/410763111.db2.gz GFDWIDWXCTZMMD-RISCZKNCSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](C[NH2+][C@H](C)C1CNC1)C1CCCCC1 ZINC000665283016 410763116 /nfs/dbraw/zinc/76/31/16/410763116.db2.gz GFDWIDWXCTZMMD-RISCZKNCSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000393952843 410771361 /nfs/dbraw/zinc/77/13/61/410771361.db2.gz QVWZUXRWDWVGIJ-GRYCIOLGSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H](CCCCO)NC[C@H]1CCCC[NH2+]1 ZINC000398503107 410968908 /nfs/dbraw/zinc/96/89/08/410968908.db2.gz CEHVUJPDQHKAHL-NWDGAFQWSA-N 1 3 214.353 1.269 20 0 BDADHO C[C@@H]1COCC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000301019653 411129317 /nfs/dbraw/zinc/12/93/17/411129317.db2.gz NHIMHXJAXVEVAK-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000651865711 411147869 /nfs/dbraw/zinc/14/78/69/411147869.db2.gz FMLKVAFEARLMQW-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989135 411158348 /nfs/dbraw/zinc/15/83/48/411158348.db2.gz CLRYRCGZAIGBMW-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989135 411158353 /nfs/dbraw/zinc/15/83/53/411158353.db2.gz CLRYRCGZAIGBMW-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@@H](C)CC)C[C@H]1CN ZINC000405385906 411197563 /nfs/dbraw/zinc/19/75/63/411197563.db2.gz PLWADGUGYREYTF-QJPTWQEYSA-N 1 3 214.353 1.328 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1CN ZINC000405385906 411197567 /nfs/dbraw/zinc/19/75/67/411197567.db2.gz PLWADGUGYREYTF-QJPTWQEYSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656193226 411199197 /nfs/dbraw/zinc/19/91/97/411199197.db2.gz ALBXDCPCBDYGIJ-BZPMIXESSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@@H](Cc1ccccn1)N[C@@H]1CCC[NH2+]CC1 ZINC000656193911 411200109 /nfs/dbraw/zinc/20/01/09/411200109.db2.gz YGGPNMFYWXXPOK-QWHCGFSZSA-N 1 3 233.359 1.744 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC[C@@H]1O ZINC000656197084 411202246 /nfs/dbraw/zinc/20/22/46/411202246.db2.gz BJJZEPDHGASUPG-YIYPIFLZSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCCC[C@@H]1O ZINC000656197084 411202249 /nfs/dbraw/zinc/20/22/49/411202249.db2.gz BJJZEPDHGASUPG-YIYPIFLZSA-N 1 3 240.391 1.787 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000656199950 411204930 /nfs/dbraw/zinc/20/49/30/411204930.db2.gz GYTGKKHCDSMHPF-WDEREUQCSA-N 1 3 212.337 1.130 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000656200299 411205143 /nfs/dbraw/zinc/20/51/43/411205143.db2.gz LCZWVSOWULDRMM-NWDGAFQWSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCNc1ccccn1 ZINC000422827710 411233405 /nfs/dbraw/zinc/23/34/05/411233405.db2.gz FFKTWYGSQYGRLW-CHWSQXEVSA-N 1 3 248.374 1.471 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCCCC[C@@H]1N)C(C)C ZINC000422883831 411233586 /nfs/dbraw/zinc/23/35/86/411233586.db2.gz VRFNWXHDOFNGTP-UONOGXRCSA-N 1 3 241.423 1.966 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCCNc1ccccn1 ZINC000422827715 411234027 /nfs/dbraw/zinc/23/40/27/411234027.db2.gz FFKTWYGSQYGRLW-QWHCGFSZSA-N 1 3 248.374 1.471 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)C1CCCCC1 ZINC000310345243 411234624 /nfs/dbraw/zinc/23/46/24/411234624.db2.gz FUMDCIDWELPIHU-AWEZNQCLSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)C1CCCCC1 ZINC000310345243 411234626 /nfs/dbraw/zinc/23/46/26/411234626.db2.gz FUMDCIDWELPIHU-AWEZNQCLSA-N 1 3 242.407 1.952 20 0 BDADHO CCC[C@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467623 411279971 /nfs/dbraw/zinc/27/99/71/411279971.db2.gz PWYUXIWFKPPZFG-UWVGGRQHSA-N 1 3 223.324 1.003 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944244 411298881 /nfs/dbraw/zinc/29/88/81/411298881.db2.gz KLRXEEBCBIGMKG-OAHLLOKOSA-N 1 3 246.354 1.920 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(O)cc3)C2)C1 ZINC000310944244 411298885 /nfs/dbraw/zinc/29/88/85/411298885.db2.gz KLRXEEBCBIGMKG-OAHLLOKOSA-N 1 3 246.354 1.920 20 0 BDADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000660145530 411260822 /nfs/dbraw/zinc/26/08/22/411260822.db2.gz XFOIVUOPMHSMKQ-ZDUSSCGKSA-N 1 3 240.391 1.564 20 0 BDADHO C1CC1[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000656788006 411367564 /nfs/dbraw/zinc/36/75/64/411367564.db2.gz GWADUQOHISSVEP-RWMBFGLXSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1nc(CC[NH2+][C@@H]2CNC[C@@H](C)C2)cs1 ZINC000401800798 411334632 /nfs/dbraw/zinc/33/46/32/411334632.db2.gz MSVOIZCJERPALS-CABZTGNLSA-N 1 3 239.388 1.582 20 0 BDADHO CC1(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCC1 ZINC000335310701 168026526 /nfs/dbraw/zinc/02/65/26/168026526.db2.gz TWEIABTXAOEFKB-NWDGAFQWSA-N 1 3 208.349 1.860 20 0 BDADHO CC1(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCC1 ZINC000335310701 168026529 /nfs/dbraw/zinc/02/65/29/168026529.db2.gz TWEIABTXAOEFKB-NWDGAFQWSA-N 1 3 208.349 1.860 20 0 BDADHO CC[C@H]1C[C@@H]([NH2+]CCCN(C)C(C)C)CO1 ZINC000657305976 411456928 /nfs/dbraw/zinc/45/69/28/411456928.db2.gz WNUKFRYWAQZTLN-OLZOCXBDSA-N 1 3 228.380 1.874 20 0 BDADHO CCOCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404370282 411392687 /nfs/dbraw/zinc/39/26/87/411392687.db2.gz IRFZZBCRKQBKQG-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO CCOCCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404370282 411392690 /nfs/dbraw/zinc/39/26/90/411392690.db2.gz IRFZZBCRKQBKQG-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CC)C2)CO1 ZINC000657315446 411461271 /nfs/dbraw/zinc/46/12/71/411461271.db2.gz NCJXATCQGSXEBI-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](CC)C2)CO1 ZINC000657315446 411461275 /nfs/dbraw/zinc/46/12/75/411461275.db2.gz NCJXATCQGSXEBI-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](CC)C2)CO1 ZINC000657315446 411461280 /nfs/dbraw/zinc/46/12/80/411461280.db2.gz NCJXATCQGSXEBI-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2cn[nH]c2)C1 ZINC000657182814 411416962 /nfs/dbraw/zinc/41/69/62/411416962.db2.gz ATPHHTVWJXXHRX-LLVKDONJSA-N 1 3 222.336 1.231 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2cn[nH]c2)C1 ZINC000657182814 411416964 /nfs/dbraw/zinc/41/69/64/411416964.db2.gz ATPHHTVWJXXHRX-LLVKDONJSA-N 1 3 222.336 1.231 20 0 BDADHO C[C@@H](c1ccncc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000122325769 411428129 /nfs/dbraw/zinc/42/81/29/411428129.db2.gz RGLYGXPXPRZNHJ-GRYCIOLGSA-N 1 3 219.332 1.812 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]CCCN(CC)CC)CO1 ZINC000657285273 411444713 /nfs/dbraw/zinc/44/47/13/411444713.db2.gz AUWVIRJBRMBBOI-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H]1[C@@H](C)N(CC[NH2+]C(C)(C)C)CCN1C ZINC000414764749 411445062 /nfs/dbraw/zinc/44/50/62/411445062.db2.gz ZDBFJKMWDDMXTP-VXGBXAGGSA-N 1 3 227.396 1.399 20 0 BDADHO CCOc1cccc(CNCC[C@@H]2CC[NH2+]C2)n1 ZINC000414838209 411450859 /nfs/dbraw/zinc/45/08/59/411450859.db2.gz VDVRDXFHTFTJBY-LBPRGKRZSA-N 1 3 249.358 1.570 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@H]2C)CCO1 ZINC000414944453 411472840 /nfs/dbraw/zinc/47/28/40/411472840.db2.gz PTNQNYGHCJSZAU-MQYQWHSLSA-N 1 3 240.391 1.778 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)CCO1 ZINC000414944451 411472974 /nfs/dbraw/zinc/47/29/74/411472974.db2.gz PTNQNYGHCJSZAU-DGAVXFQQSA-N 1 3 240.391 1.778 20 0 BDADHO COC[C@H](CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000659983459 411518306 /nfs/dbraw/zinc/51/83/06/411518306.db2.gz MOPOQBXOORGKFO-XQQFMLRXSA-N 1 3 244.379 1.062 20 0 BDADHO COC[C@H](CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000659983459 411518308 /nfs/dbraw/zinc/51/83/08/411518308.db2.gz MOPOQBXOORGKFO-XQQFMLRXSA-N 1 3 244.379 1.062 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCC(C)(C)O)C[C@H]1C ZINC000360453861 170010047 /nfs/dbraw/zinc/01/00/47/170010047.db2.gz GWXFADIKJIWVRU-CHWSQXEVSA-N 1 3 242.407 1.952 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCC(C)(C)O)C[C@H]1C ZINC000360453861 170010048 /nfs/dbraw/zinc/01/00/48/170010048.db2.gz GWXFADIKJIWVRU-CHWSQXEVSA-N 1 3 242.407 1.952 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000367596085 170010254 /nfs/dbraw/zinc/01/02/54/170010254.db2.gz DBDLQSPWQDWUHS-AAEUAGOBSA-N 1 3 248.374 1.719 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOC(C)C)[C@H](C)C1 ZINC000120531861 170011746 /nfs/dbraw/zinc/01/17/46/170011746.db2.gz DUSBSCPYPNTXIF-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOC(C)C)[C@H](C)C1 ZINC000120531861 170011747 /nfs/dbraw/zinc/01/17/47/170011747.db2.gz DUSBSCPYPNTXIF-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CC[C@@H](C)O)C[C@@H]1C ZINC000336662608 170017815 /nfs/dbraw/zinc/01/78/15/170017815.db2.gz CMAVVFZOUFKLPV-XQQFMLRXSA-N 1 3 228.380 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CC[C@@H](C)O)C[C@@H]1C ZINC000336662608 170017816 /nfs/dbraw/zinc/01/78/16/170017816.db2.gz CMAVVFZOUFKLPV-XQQFMLRXSA-N 1 3 228.380 1.562 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)O)C[C@@H]1C ZINC000336691408 170018862 /nfs/dbraw/zinc/01/88/62/170018862.db2.gz LNZMECABCNOBID-SRVKXCTJSA-N 1 3 214.353 1.172 20 0 BDADHO CCN1CC[C@H]2CC[C@@H](C1)N2CC(C)(C)[NH3+] ZINC000334616541 170023892 /nfs/dbraw/zinc/02/38/92/170023892.db2.gz REPLDZSFNQNRRN-NEPJUHHUSA-N 1 3 225.380 1.282 20 0 BDADHO CC[NH2+]CCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000236928803 170114809 /nfs/dbraw/zinc/11/48/09/170114809.db2.gz NYCUCQLCIGSBPK-WCQYABFASA-N 1 3 249.358 1.048 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN([C@H]1CCCOC1)C2 ZINC000660656944 411613961 /nfs/dbraw/zinc/61/39/61/411613961.db2.gz CAJOVGQFKFTEMF-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN([C@H]1CCCOC1)C2 ZINC000660656944 411613963 /nfs/dbraw/zinc/61/39/63/411613963.db2.gz CAJOVGQFKFTEMF-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO CCOCCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661175 411615245 /nfs/dbraw/zinc/61/52/45/411615245.db2.gz ZBBKFFSVRREFNL-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO CCOCCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661175 411615247 /nfs/dbraw/zinc/61/52/47/411615247.db2.gz ZBBKFFSVRREFNL-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO CC[C@H](CN1CCC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000660663668 411616072 /nfs/dbraw/zinc/61/60/72/411616072.db2.gz OUCXPZJPQSKLDH-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H](CN1CCC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000660663668 411616073 /nfs/dbraw/zinc/61/60/73/411616073.db2.gz OUCXPZJPQSKLDH-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CC[C@H]([NH2+]CCOCCF)[C@@H]2CCC[C@@H]21 ZINC000663459425 411662395 /nfs/dbraw/zinc/66/23/95/411662395.db2.gz CEJQNCUAHUTXNH-AVGNSLFASA-N 1 3 244.354 1.435 20 0 BDADHO C[N@@H+]1CC[C@H](NCCOCCF)[C@@H]2CCC[C@@H]21 ZINC000663459425 411662398 /nfs/dbraw/zinc/66/23/98/411662398.db2.gz CEJQNCUAHUTXNH-AVGNSLFASA-N 1 3 244.354 1.435 20 0 BDADHO C[N@H+]1CC[C@H](NCCOCCF)[C@@H]2CCC[C@@H]21 ZINC000663459425 411662402 /nfs/dbraw/zinc/66/24/02/411662402.db2.gz CEJQNCUAHUTXNH-AVGNSLFASA-N 1 3 244.354 1.435 20 0 BDADHO C[NH2+]C[C@H](C)NC1CCC(OC)CC1 ZINC000663514930 411697053 /nfs/dbraw/zinc/69/70/53/411697053.db2.gz WNHCAZNTEOOCFC-WHXUTIOJSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@H]1CN(c2nccc3[nH]ccc32)C[C@@H]1[NH+](C)C ZINC000663709294 411729405 /nfs/dbraw/zinc/72/94/05/411729405.db2.gz OPLSRUMGBGLING-GWCFXTLKSA-N 1 3 244.342 1.949 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](N(C)C)CC2)CCO1 ZINC000420915904 411767391 /nfs/dbraw/zinc/76/73/91/411767391.db2.gz GLMVOKLTTOCMLL-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](N(C)C)CC2)CCO1 ZINC000420915904 411767393 /nfs/dbraw/zinc/76/73/93/411767393.db2.gz GLMVOKLTTOCMLL-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1C[C@H](O)C12CCC2 ZINC000661831232 411894981 /nfs/dbraw/zinc/89/49/81/411894981.db2.gz MUCHAZZKEOQIAM-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661831232 411894988 /nfs/dbraw/zinc/89/49/88/411894988.db2.gz MUCHAZZKEOQIAM-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661831617 411895710 /nfs/dbraw/zinc/89/57/10/411895710.db2.gz PNQNALSADURFHQ-UPJWGTAASA-N 1 3 238.375 1.364 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000661831617 411895714 /nfs/dbraw/zinc/89/57/14/411895714.db2.gz PNQNALSADURFHQ-UPJWGTAASA-N 1 3 238.375 1.364 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000661831617 411895721 /nfs/dbraw/zinc/89/57/21/411895721.db2.gz PNQNALSADURFHQ-UPJWGTAASA-N 1 3 238.375 1.364 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1C[C@H](O)C12CCC2 ZINC000661831234 411896166 /nfs/dbraw/zinc/89/61/66/411896166.db2.gz MUCHAZZKEOQIAM-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661831234 411896168 /nfs/dbraw/zinc/89/61/68/411896168.db2.gz MUCHAZZKEOQIAM-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CO[C@H](CN1CCC[C@H](C)[C@H]1C[NH3+])C1CCC1 ZINC000662243413 412039793 /nfs/dbraw/zinc/03/97/93/412039793.db2.gz AGVYSEYWXJFPPA-IACUBPJLSA-N 1 3 240.391 1.861 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCO[C@H]1CC1(F)F ZINC000662249943 412045860 /nfs/dbraw/zinc/04/58/60/412045860.db2.gz VWUABVZFMKHDGO-UWVGGRQHSA-N 1 3 236.306 1.374 20 0 BDADHO CC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662248732 412047722 /nfs/dbraw/zinc/04/77/22/412047722.db2.gz CICMBSXLDBSOPB-LBPRGKRZSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662254664 412049049 /nfs/dbraw/zinc/04/90/49/412049049.db2.gz SCQYDFNTPGUGDV-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662254664 412049050 /nfs/dbraw/zinc/04/90/50/412049050.db2.gz SCQYDFNTPGUGDV-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662256971 412051330 /nfs/dbraw/zinc/05/13/30/412051330.db2.gz KVIBUHXAYIEEIV-AGIUHOORSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662256971 412051331 /nfs/dbraw/zinc/05/13/31/412051331.db2.gz KVIBUHXAYIEEIV-AGIUHOORSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662256972 412051614 /nfs/dbraw/zinc/05/16/14/412051614.db2.gz KVIBUHXAYIEEIV-FRRDWIJNSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662256972 412051618 /nfs/dbraw/zinc/05/16/18/412051618.db2.gz KVIBUHXAYIEEIV-FRRDWIJNSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)C1CCC1 ZINC000662264732 412056676 /nfs/dbraw/zinc/05/66/76/412056676.db2.gz JZZIBWUBGCERCY-NTZNESFSSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](C[N@H+]1C[C@H](CN)C[C@H]1C)C1CCC1 ZINC000662264732 412056679 /nfs/dbraw/zinc/05/66/79/412056679.db2.gz JZZIBWUBGCERCY-NTZNESFSSA-N 1 3 226.364 1.471 20 0 BDADHO Cc1cc(CN2CCC[C@H](CC[NH3+])C2)nc(C)n1 ZINC000662271856 412062104 /nfs/dbraw/zinc/06/21/04/412062104.db2.gz JNZZJASJDRNHNT-CYBMUJFWSA-N 1 3 248.374 1.654 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CN ZINC000662280175 412071677 /nfs/dbraw/zinc/07/16/77/412071677.db2.gz DDQOICPYGXAGEG-RGDJUOJXSA-N 1 3 222.376 1.949 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@@H]1CN ZINC000662280175 412071678 /nfs/dbraw/zinc/07/16/78/412071678.db2.gz DDQOICPYGXAGEG-RGDJUOJXSA-N 1 3 222.376 1.949 20 0 BDADHO OCC1(NCCC2CCCCC2)CC[NH2+]CC1 ZINC000662286528 412076686 /nfs/dbraw/zinc/07/66/86/412076686.db2.gz JNBKFWDYADKOJU-UHFFFAOYSA-N 1 3 240.391 1.661 20 0 BDADHO C[C@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282274 412073311 /nfs/dbraw/zinc/07/33/11/412073311.db2.gz OFYUBMMEGROGOZ-RYUDHWBXSA-N 1 3 247.342 1.253 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC(C2CCC2)CC1 ZINC000662299462 412085850 /nfs/dbraw/zinc/08/58/50/412085850.db2.gz QGHOKMAAUMZPOQ-AWEZNQCLSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@](C)(O)C[NH+]1CCC(C2CCC2)CC1 ZINC000662299462 412085854 /nfs/dbraw/zinc/08/58/54/412085854.db2.gz QGHOKMAAUMZPOQ-AWEZNQCLSA-N 1 3 240.391 1.469 20 0 BDADHO OCC1(NCCCC2CCCC2)CC[NH2+]CC1 ZINC000662287206 412079211 /nfs/dbraw/zinc/07/92/11/412079211.db2.gz UHCDFAPCQGVDQV-UHFFFAOYSA-N 1 3 240.391 1.661 20 0 BDADHO CC[C@H](C)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336675547 171388603 /nfs/dbraw/zinc/38/86/03/171388603.db2.gz BLGWDHVWHRUMKX-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000237036164 171395643 /nfs/dbraw/zinc/39/56/43/171395643.db2.gz JZFSRKSQRGXIGF-TUAOUCFPSA-N 1 3 243.395 1.206 20 0 BDADHO CCCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321092 412101273 /nfs/dbraw/zinc/10/12/73/412101273.db2.gz GTLOYVMQEUVINA-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO C[NH+](C)CCC[C@@H]1CN(CCC2CC2)CCO1 ZINC000662320125 412101297 /nfs/dbraw/zinc/10/12/97/412101297.db2.gz QDMOLJIJPBBNDE-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CN1 ZINC000665241992 412184436 /nfs/dbraw/zinc/18/44/36/412184436.db2.gz HKCRTAXGVWBOMN-IGQOVBAYSA-N 1 3 238.375 1.533 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244173 412187119 /nfs/dbraw/zinc/18/71/19/412187119.db2.gz HSIOGQZLMCALAL-AXFHLTTASA-N 1 3 248.317 1.518 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCO[C@H]1CC1(F)F ZINC000665244173 412187122 /nfs/dbraw/zinc/18/71/22/412187122.db2.gz HSIOGQZLMCALAL-AXFHLTTASA-N 1 3 248.317 1.518 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCO[C@H]2CC2(F)F)C1 ZINC000665244703 412189875 /nfs/dbraw/zinc/18/98/75/412189875.db2.gz TYCPBXLXOWCWLH-UTLUCORTSA-N 1 3 234.290 1.270 20 0 BDADHO CC[C@@H]([NH2+]C)C(=O)N(CCN(C)C)CC(C)C ZINC000662524253 412203596 /nfs/dbraw/zinc/20/35/96/412203596.db2.gz KKHDHNYDUHZCEH-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CC(C)(F)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000665262019 412204516 /nfs/dbraw/zinc/20/45/16/412204516.db2.gz RMODRTXUJFMBFG-NXEZZACHSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2cc(N)ccc21 ZINC000665273384 412215739 /nfs/dbraw/zinc/21/57/39/412215739.db2.gz VSYMPGQZVBJLIM-BHDSKKPTSA-N 1 3 233.359 1.972 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccoc2)C1 ZINC000665263035 412205632 /nfs/dbraw/zinc/20/56/32/412205632.db2.gz DYSCCHFNNDZACW-NWDGAFQWSA-N 1 3 208.305 1.682 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2cc(N)ccc21 ZINC000665273385 412215441 /nfs/dbraw/zinc/21/54/41/412215441.db2.gz VSYMPGQZVBJLIM-IMSIIYSGSA-N 1 3 233.359 1.972 20 0 BDADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000662417621 412158624 /nfs/dbraw/zinc/15/86/24/412158624.db2.gz LZSYZATUJLBCSN-GWCFXTLKSA-N 1 3 247.342 1.027 20 0 BDADHO COC1CC(CCN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665230000 412168321 /nfs/dbraw/zinc/16/83/21/412168321.db2.gz HIAUORZUBYUDAK-BLYZHGLHSA-N 1 3 240.391 1.922 20 0 BDADHO O[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000665235415 412173796 /nfs/dbraw/zinc/17/37/96/412173796.db2.gz VWCCZKQAOTVBCE-NRUFJFEESA-N 1 3 224.348 1.163 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCOC1 ZINC000665278241 412221546 /nfs/dbraw/zinc/22/15/46/412221546.db2.gz YZIXEHDRGRWSAC-QBHFIFKDSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1CCOC1 ZINC000665278241 412221551 /nfs/dbraw/zinc/22/15/51/412221551.db2.gz YZIXEHDRGRWSAC-QBHFIFKDSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CN2)C1CCSCC1 ZINC000665278699 412223231 /nfs/dbraw/zinc/22/32/31/412223231.db2.gz MRWOCBPCCOUPIJ-ZBOXLXRLSA-N 1 3 240.416 1.860 20 0 BDADHO C[C@H](NCC12CC(C1)C[NH2+]2)C1CCSCC1 ZINC000665278699 412223234 /nfs/dbraw/zinc/22/32/34/412223234.db2.gz MRWOCBPCCOUPIJ-ZBOXLXRLSA-N 1 3 240.416 1.860 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279987 412224995 /nfs/dbraw/zinc/22/49/95/412224995.db2.gz QUGQVWIKVSTXKP-QZQSVVMZSA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H](C)c1cnccc1N ZINC000665281368 412226202 /nfs/dbraw/zinc/22/62/02/412226202.db2.gz AJVUNRNIVBBOBL-ZYHUDNBSSA-N 1 3 236.363 1.518 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1nccn1C ZINC000665283918 412229344 /nfs/dbraw/zinc/22/93/44/412229344.db2.gz XCMAIUNVCYVRFV-QWRGUYRKSA-N 1 3 224.352 1.588 20 0 BDADHO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1C ZINC000665294928 412240597 /nfs/dbraw/zinc/24/05/97/412240597.db2.gz YTDUYKJQNXOULG-STQMWFEESA-N 1 3 234.343 1.973 20 0 BDADHO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1C ZINC000665294925 412240731 /nfs/dbraw/zinc/24/07/31/412240731.db2.gz YTDUYKJQNXOULG-CHWSQXEVSA-N 1 3 234.343 1.973 20 0 BDADHO C[C@H]([NH2+]CCOCCF)[C@H]1CCCCN1 ZINC000665299150 412247678 /nfs/dbraw/zinc/24/76/78/412247678.db2.gz HNWMOQDARGICSK-WDEREUQCSA-N 1 3 218.316 1.093 20 0 BDADHO CCn1nccc1CNCCCC[NH+](C)C ZINC000162689355 172271004 /nfs/dbraw/zinc/27/10/04/172271004.db2.gz HAJSJQHCXNXVTD-UHFFFAOYSA-N 1 3 224.352 1.334 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(C)COC1 ZINC000094721563 487625191 /nfs/dbraw/zinc/62/51/91/487625191.db2.gz LPXIOVKUOGVBRA-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@]12CCOC2 ZINC000341977901 173049816 /nfs/dbraw/zinc/04/98/16/173049816.db2.gz WRFVLKWOLIHLJA-UONOGXRCSA-N 1 3 238.375 1.726 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@]12CCOC2 ZINC000341977901 173049817 /nfs/dbraw/zinc/04/98/17/173049817.db2.gz WRFVLKWOLIHLJA-UONOGXRCSA-N 1 3 238.375 1.726 20 0 BDADHO Cn1nccc1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367616170 173152411 /nfs/dbraw/zinc/15/24/11/173152411.db2.gz LJMKKGUEXORFJX-IHRRRGAJSA-N 1 3 248.374 1.383 20 0 BDADHO C[NH2+]CC1CCN(Cc2ccc(C)nc2)CC1 ZINC000228858409 173338677 /nfs/dbraw/zinc/33/86/77/173338677.db2.gz FPZVHEHJNBRWGW-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO C[NH2+]CCC1CCN(Cc2cnn(C)c2)CC1 ZINC000070189032 173342836 /nfs/dbraw/zinc/34/28/36/173342836.db2.gz MAAYUTSRKYDHNT-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO C[NH2+]CCCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000121220147 173348428 /nfs/dbraw/zinc/34/84/28/173348428.db2.gz REEJCEJKTCJZRM-YPMHNXCESA-N 1 3 249.358 1.048 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000250702081 173367807 /nfs/dbraw/zinc/36/78/07/173367807.db2.gz DBHZOSFHPBCUEE-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000052173148 173369238 /nfs/dbraw/zinc/36/92/38/173369238.db2.gz XCWKCOMLVYPUNG-LBPRGKRZSA-N 1 3 212.337 1.097 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1CC1CCOCC1 ZINC000052173148 173369239 /nfs/dbraw/zinc/36/92/39/173369239.db2.gz XCWKCOMLVYPUNG-LBPRGKRZSA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCCCCF)C1 ZINC000308481675 173380932 /nfs/dbraw/zinc/38/09/32/173380932.db2.gz NAJXNRYICOJGHB-LLVKDONJSA-N 1 3 202.317 1.668 20 0 BDADHO COC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000037266524 174029323 /nfs/dbraw/zinc/02/93/23/174029323.db2.gz DVTFFJUNSADVHA-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO COC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000037266524 174029324 /nfs/dbraw/zinc/02/93/24/174029324.db2.gz DVTFFJUNSADVHA-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357058747 174069210 /nfs/dbraw/zinc/06/92/10/174069210.db2.gz WEKRXNQXJVZTDD-RYUDHWBXSA-N 1 3 226.364 1.200 20 0 BDADHO COCC(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000310258616 174075151 /nfs/dbraw/zinc/07/51/51/174075151.db2.gz HFJXDEHSPMXQGB-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310258616 174075153 /nfs/dbraw/zinc/07/51/53/174075153.db2.gz HFJXDEHSPMXQGB-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000310258616 174075157 /nfs/dbraw/zinc/07/51/57/174075157.db2.gz HFJXDEHSPMXQGB-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COCC1(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363523 174111102 /nfs/dbraw/zinc/11/11/02/174111102.db2.gz QXVNFGQFXADHDQ-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO COCC1(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000356363523 174111104 /nfs/dbraw/zinc/11/11/04/174111104.db2.gz QXVNFGQFXADHDQ-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO COCC1([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CCC1 ZINC000356363523 174111107 /nfs/dbraw/zinc/11/11/07/174111107.db2.gz QXVNFGQFXADHDQ-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO COCCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000082666894 174221110 /nfs/dbraw/zinc/22/11/10/174221110.db2.gz CXRMSEUIIWKVGU-LLVKDONJSA-N 1 3 200.326 1.097 20 0 BDADHO COCCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000082666894 174221112 /nfs/dbraw/zinc/22/11/12/174221112.db2.gz CXRMSEUIIWKVGU-LLVKDONJSA-N 1 3 200.326 1.097 20 0 BDADHO COCCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000082666894 174221113 /nfs/dbraw/zinc/22/11/13/174221113.db2.gz CXRMSEUIIWKVGU-LLVKDONJSA-N 1 3 200.326 1.097 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCC1 ZINC000235095272 175453651 /nfs/dbraw/zinc/45/36/51/175453651.db2.gz FKSAEPXIZDGFJO-WDEREUQCSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCOCCN(C)C)[C@H](C)C1 ZINC000300424989 176232900 /nfs/dbraw/zinc/23/29/00/176232900.db2.gz OOEVUCUEQCJXDK-MCIONIFRSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000051919612 176292353 /nfs/dbraw/zinc/29/23/53/176292353.db2.gz OEKOXZOGQCYOCW-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccsc1 ZINC000126717528 176367639 /nfs/dbraw/zinc/36/76/39/176367639.db2.gz GYPUCNSCKUJHPE-KOLCDFICSA-N 1 3 210.346 1.917 20 0 BDADHO C[C@@H]1C[C@@H](NCC2CC[NH+](C)CC2)c2nccn21 ZINC000335953524 176375762 /nfs/dbraw/zinc/37/57/62/176375762.db2.gz BMIYTZQFCJAVIT-DGCLKSJQSA-N 1 3 248.374 1.820 20 0 BDADHO C[C@H]1CN(CCCCCF)CC[C@H]1[NH3+] ZINC000336678101 177248158 /nfs/dbraw/zinc/24/81/58/177248158.db2.gz DWBVGVGAMCJXDS-WDEREUQCSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1C[C@H](CN2CCOC(C)(C)C2)CC[NH2+]1 ZINC000235662274 177362081 /nfs/dbraw/zinc/36/20/81/177362081.db2.gz QPXMERORNCXHHA-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@@]1(C)CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000487046467 225283401 /nfs/dbraw/zinc/28/34/01/225283401.db2.gz QHQMUAURKRZCIL-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@]1(C)CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000487046467 225283403 /nfs/dbraw/zinc/28/34/03/225283403.db2.gz QHQMUAURKRZCIL-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n[nH]1 ZINC000671748174 487742907 /nfs/dbraw/zinc/74/29/07/487742907.db2.gz JZYJZLUANHRDHB-MJBXVCDLSA-N 1 3 248.374 1.681 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n[nH]1 ZINC000671748174 487742909 /nfs/dbraw/zinc/74/29/09/487742909.db2.gz JZYJZLUANHRDHB-MJBXVCDLSA-N 1 3 248.374 1.681 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H](N)c1ccccc1 ZINC000289300141 487747228 /nfs/dbraw/zinc/74/72/28/487747228.db2.gz RZPAKIABZLGOTN-RTXFEEFZSA-N 1 3 247.342 1.025 20 0 BDADHO COC1CCN(CCNc2cc[nH+]c(C)c2)CC1 ZINC000681391090 487791443 /nfs/dbraw/zinc/79/14/43/487791443.db2.gz WXMFEHAKBKWXEB-UHFFFAOYSA-N 1 3 249.358 1.335 20 0 BDADHO CO[C@@H](C[NH2+]CCCN(C)C(C)C)C1CC1 ZINC000400290435 487791700 /nfs/dbraw/zinc/79/17/00/487791700.db2.gz WCXXIZXEBQALPM-ZDUSSCGKSA-N 1 3 228.380 1.731 20 0 BDADHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN)C12CCC2 ZINC000414697664 487817403 /nfs/dbraw/zinc/81/74/03/487817403.db2.gz CPYGIKOGVPLZCR-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN)C12CCC2 ZINC000414697664 487817407 /nfs/dbraw/zinc/81/74/07/487817407.db2.gz CPYGIKOGVPLZCR-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN)C12CCC2 ZINC000414697668 487817430 /nfs/dbraw/zinc/81/74/30/487817430.db2.gz CPYGIKOGVPLZCR-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN)C12CCC2 ZINC000414697668 487817433 /nfs/dbraw/zinc/81/74/33/487817433.db2.gz CPYGIKOGVPLZCR-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO [NH3+]CCCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000414704880 487819145 /nfs/dbraw/zinc/81/91/45/487819145.db2.gz DPGBUURULUXFKY-OAHLLOKOSA-N 1 3 248.370 1.608 20 0 BDADHO CCC1(CC)[C@H]([N@H+](C)CCCN)C[C@@H]1OC ZINC000414702200 487819401 /nfs/dbraw/zinc/81/94/01/487819401.db2.gz HTRCEOKNODABCM-NEPJUHHUSA-N 1 3 228.380 1.861 20 0 BDADHO CCC1(CC)[C@H]([N@@H+](C)CCCN)C[C@@H]1OC ZINC000414702200 487819404 /nfs/dbraw/zinc/81/94/04/487819404.db2.gz HTRCEOKNODABCM-NEPJUHHUSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000307587421 487819418 /nfs/dbraw/zinc/81/94/18/487819418.db2.gz TXQUJQUDJHWLLK-VLEAKVRGSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000307587421 487819425 /nfs/dbraw/zinc/81/94/25/487819425.db2.gz TXQUJQUDJHWLLK-VLEAKVRGSA-N 1 3 214.378 1.740 20 0 BDADHO CC(C)(CO)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252722465 487830831 /nfs/dbraw/zinc/83/08/31/487830831.db2.gz QPEUSBGGYGHMHJ-YNEHKIRRSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000564456820 322957015 /nfs/dbraw/zinc/95/70/15/322957015.db2.gz ZSGTVUCMWVWNBK-NXEZZACHSA-N 1 3 247.342 1.145 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1ccc(C)o1 ZINC000234794058 487878841 /nfs/dbraw/zinc/87/88/41/487878841.db2.gz CWLKQKZEBLULPI-NSHDSACASA-N 1 3 226.320 1.432 20 0 BDADHO [NH3+][C@@H](CNC[C@@H]1CCOc2ccccc21)C1CC1 ZINC000666834209 487888199 /nfs/dbraw/zinc/88/81/99/487888199.db2.gz CBKJBQOCVAKMFF-JSGCOSHPSA-N 1 3 246.354 1.880 20 0 BDADHO Cc1ccc(CN[C@H]2CC23CC[NH2+]CC3)nc1 ZINC000666952314 487914119 /nfs/dbraw/zinc/91/41/19/487914119.db2.gz QKJZTKFQNHQGCU-ZDUSSCGKSA-N 1 3 231.343 1.622 20 0 BDADHO C[C@H]1CN(CCC[NH3+])CCN1Cc1ccccc1 ZINC000396348399 487914422 /nfs/dbraw/zinc/91/44/22/487914422.db2.gz FEMXWXHZDPAMCE-AWEZNQCLSA-N 1 3 247.386 1.542 20 0 BDADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1C[C@@H]1C ZINC000397506392 323029938 /nfs/dbraw/zinc/02/99/38/323029938.db2.gz DKAAGVJLFPZILW-AVGNSLFASA-N 1 3 240.391 1.467 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOCC1CCC1 ZINC000570389080 323058022 /nfs/dbraw/zinc/05/80/22/323058022.db2.gz OWHCBUHZWOMDQV-QWHCGFSZSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000570389080 323058023 /nfs/dbraw/zinc/05/80/23/323058023.db2.gz OWHCBUHZWOMDQV-QWHCGFSZSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@]1(CN2CCC(CCO)CC2)CC[NH2+]C1 ZINC000570396388 323058426 /nfs/dbraw/zinc/05/84/26/323058426.db2.gz JTQNBZNIJFZKSD-ZDUSSCGKSA-N 1 3 226.364 1.080 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683543 323059703 /nfs/dbraw/zinc/05/97/03/323059703.db2.gz QRVXOGAZPKTSTG-NEPJUHHUSA-N 1 3 226.364 1.364 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@@H](NCC2(O)CCC2)C1 ZINC000567683543 323059704 /nfs/dbraw/zinc/05/97/04/323059704.db2.gz QRVXOGAZPKTSTG-NEPJUHHUSA-N 1 3 226.364 1.364 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000570792710 323070393 /nfs/dbraw/zinc/07/03/93/323070393.db2.gz ISTRILRJFAXBCM-WISYIIOYSA-N 1 3 226.364 1.395 20 0 BDADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CCC1 ZINC000397576721 323081099 /nfs/dbraw/zinc/08/10/99/323081099.db2.gz GIXHGQNAJIMRNR-CYBMUJFWSA-N 1 3 240.391 1.611 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000563154566 323095751 /nfs/dbraw/zinc/09/57/51/323095751.db2.gz PVCPGDMPJTYWSQ-USZNOCQGSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@@H](NCCc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000564793148 323101728 /nfs/dbraw/zinc/10/17/28/323101728.db2.gz BHTCFRGKTAPASM-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO C[C@@H]([NH2+]CCc1ccc(F)cc1F)C1CNC1 ZINC000564793148 323101729 /nfs/dbraw/zinc/10/17/29/323101729.db2.gz BHTCFRGKTAPASM-SECBINFHSA-N 1 3 240.297 1.705 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000571111892 323135866 /nfs/dbraw/zinc/13/58/66/323135866.db2.gz CJGNMHZXBHFLGY-RKQHYHRCSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000571111892 323135867 /nfs/dbraw/zinc/13/58/67/323135867.db2.gz CJGNMHZXBHFLGY-RKQHYHRCSA-N 1 3 238.375 1.626 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000571111892 323135868 /nfs/dbraw/zinc/13/58/68/323135868.db2.gz CJGNMHZXBHFLGY-RKQHYHRCSA-N 1 3 238.375 1.626 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000571581999 323148517 /nfs/dbraw/zinc/14/85/17/323148517.db2.gz WRGTWFGPFRXIJT-GRYCIOLGSA-N 1 3 234.347 1.127 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414960288 323152285 /nfs/dbraw/zinc/15/22/85/323152285.db2.gz YBZNRRDXUDVMHN-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414960288 323152286 /nfs/dbraw/zinc/15/22/86/323152286.db2.gz YBZNRRDXUDVMHN-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO CN1CCC[C@H](C[NH2+]CC2(F)CC2)C1 ZINC000308571082 323175851 /nfs/dbraw/zinc/17/58/51/323175851.db2.gz BYHMDEJZMLUKQH-SNVBAGLBSA-N 1 3 200.301 1.420 20 0 BDADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cn[nH]c1 ZINC000571669743 323177457 /nfs/dbraw/zinc/17/74/57/323177457.db2.gz QGNQDPWEKRSAGM-TVYUQYBPSA-N 1 3 234.347 1.448 20 0 BDADHO C[C@H](C[NH3+])NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000417804470 323185002 /nfs/dbraw/zinc/18/50/02/323185002.db2.gz GLPMCNJDCZFCEQ-ZYHUDNBSSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@@H](NCC12CC(C1)CO2)[C@@H]1CCC[NH2+]C1 ZINC000530218328 323217649 /nfs/dbraw/zinc/21/76/49/323217649.db2.gz FMSDWQNSUOJTBO-CQLXCSJHSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCCNC1 ZINC000530218328 323217650 /nfs/dbraw/zinc/21/76/50/323217650.db2.gz FMSDWQNSUOJTBO-CQLXCSJHSA-N 1 3 224.348 1.143 20 0 BDADHO C1CC1[C@@H]([NH2+]C1CCNCC1)C1CCC1 ZINC000325027212 323308980 /nfs/dbraw/zinc/30/89/80/323308980.db2.gz HZZOVTPNBKFINY-ZDUSSCGKSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)CCc1ccco1 ZINC000309125174 323318105 /nfs/dbraw/zinc/31/81/05/323318105.db2.gz WALLEHHLKNDVTB-MXWKQRLJSA-N 1 3 210.321 1.926 20 0 BDADHO COC(=O)CCC1CC[NH+](CC(C)(C)N)CC1 ZINC000571681184 323346008 /nfs/dbraw/zinc/34/60/08/323346008.db2.gz IVPCFPTXNVKEOL-UHFFFAOYSA-N 1 3 242.363 1.389 20 0 BDADHO Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000571753092 323472794 /nfs/dbraw/zinc/47/27/94/323472794.db2.gz VPTQVCRPLAZFCD-YIONKMFJSA-N 1 3 245.370 1.805 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)C1CCOCC1 ZINC000521736680 324191831 /nfs/dbraw/zinc/19/18/31/324191831.db2.gz UVWXTPMYMILRFU-JSGCOSHPSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000530220017 324538372 /nfs/dbraw/zinc/53/83/72/324538372.db2.gz AYDQNHJYUZHNFU-HGWFIAQESA-N 1 3 214.353 1.514 20 0 BDADHO COC[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130248659 325030397 /nfs/dbraw/zinc/03/03/97/325030397.db2.gz PRJKEOUJVZLPTB-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130248659 325030402 /nfs/dbraw/zinc/03/04/02/325030402.db2.gz PRJKEOUJVZLPTB-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO CNCc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000131635275 325172281 /nfs/dbraw/zinc/17/22/81/325172281.db2.gz FALCAPWUWFRTNS-GFCCVEGCSA-N 1 3 247.342 1.344 20 0 BDADHO C([NH2+][C@@H]1CCC12CCOCC2)[C@@H]1CCCNC1 ZINC000564791793 325809325 /nfs/dbraw/zinc/80/93/25/325809325.db2.gz HORZWISPGZLWIK-CHWSQXEVSA-N 1 3 238.375 1.535 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357497 325900400 /nfs/dbraw/zinc/90/04/00/325900400.db2.gz FUZQWJWGUWQYNM-DRZSPHRISA-N 1 3 240.391 1.765 20 0 BDADHO C[C@]1(CN[C@H]2CCc3cc(N)ccc32)CC[NH2+]C1 ZINC000565608783 325934991 /nfs/dbraw/zinc/93/49/91/325934991.db2.gz IXQCIJVWNWUOBH-GJZGRUSLSA-N 1 3 245.370 1.845 20 0 BDADHO Cc1cccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000566483342 326056336 /nfs/dbraw/zinc/05/63/36/326056336.db2.gz VBLHJMCRDWNMOJ-TZMCWYRMSA-N 1 3 233.359 1.792 20 0 BDADHO CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000566648780 326071264 /nfs/dbraw/zinc/07/12/64/326071264.db2.gz CVCSRHHNYLDSAL-IHRRRGAJSA-N 1 3 241.423 1.787 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000567343967 326168181 /nfs/dbraw/zinc/16/81/81/326168181.db2.gz JJZSUSUPUMKNFH-NEPJUHHUSA-N 1 3 226.364 1.391 20 0 BDADHO CCN1CC[C@@H]([NH2+]CCN(C)C(C)C)[C@H](C)C1 ZINC000155750312 326210592 /nfs/dbraw/zinc/21/05/92/326210592.db2.gz RZQWFTWAZCDXSE-ZIAGYGMSSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(C)C2)CCN1C ZINC000156291568 326226782 /nfs/dbraw/zinc/22/67/82/326226782.db2.gz INDOTURNRCUUBV-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000567837947 326267179 /nfs/dbraw/zinc/26/71/79/326267179.db2.gz DOSGOMTYFMKLFW-NEPJUHHUSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)[C@@H]1CCCNC1 ZINC000568856561 326379396 /nfs/dbraw/zinc/37/93/96/326379396.db2.gz XGGCWQYMVJIXDX-IRCOFANPSA-N 1 3 214.328 1.855 20 0 BDADHO CC(C)OCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000158923367 487983664 /nfs/dbraw/zinc/98/36/64/487983664.db2.gz GFRIAZFKXLIQTK-QWRGUYRKSA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)(C)OCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000682755525 488030220 /nfs/dbraw/zinc/03/02/20/488030220.db2.gz RVYIZYAWTASHEF-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1cc(CN2CCC3(CC[NH2+]C3)CC2)ncn1 ZINC000257656211 488077266 /nfs/dbraw/zinc/07/72/66/488077266.db2.gz FIINSNIKVGPYKH-UHFFFAOYSA-N 1 3 246.358 1.361 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000397616267 488125088 /nfs/dbraw/zinc/12/50/88/488125088.db2.gz UJCXMDWADAZHSV-AGIUHOORSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785264 487531754 /nfs/dbraw/zinc/53/17/54/487531754.db2.gz OZEINANGRPAZCA-RDBSUJKOSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@H](N)C1)C1CCC1 ZINC000662236531 487470954 /nfs/dbraw/zinc/47/09/54/487470954.db2.gz ZRXIFRAHABKEQC-RYUDHWBXSA-N 1 3 212.337 1.225 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@H](N)C1)C1CCC1 ZINC000662236531 487470955 /nfs/dbraw/zinc/47/09/55/487470955.db2.gz ZRXIFRAHABKEQC-RYUDHWBXSA-N 1 3 212.337 1.225 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[C@@H](C)O2)CC[C@@H]1[NH3+] ZINC000227052461 487484672 /nfs/dbraw/zinc/48/46/72/487484672.db2.gz TZBXVQJDUAHLEG-NDBYEHHHSA-N 1 3 226.364 1.613 20 0 BDADHO CCC1(C[NH2+][C@H]2CCC[C@@H](N)C2)COC1 ZINC000393977121 487496087 /nfs/dbraw/zinc/49/60/87/487496087.db2.gz KLFKHZLZHCJAKM-MNOVXSKESA-N 1 3 212.337 1.273 20 0 BDADHO OCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000674006201 487496313 /nfs/dbraw/zinc/49/63/13/487496313.db2.gz OHLFFWFOXSEGGB-UHFFFAOYSA-N 1 3 240.391 1.567 20 0 BDADHO COCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086403750 487500855 /nfs/dbraw/zinc/50/08/55/487500855.db2.gz NGGREKFTHFPBCG-QWRGUYRKSA-N 1 3 200.326 1.273 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C1 ZINC000300376567 487510204 /nfs/dbraw/zinc/51/02/04/487510204.db2.gz LMWXXQQTELARQU-WYUUTHIRSA-N 1 3 212.337 1.007 20 0 BDADHO CC(C)[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)CCN1C ZINC000649592835 487766819 /nfs/dbraw/zinc/76/68/19/487766819.db2.gz YHYLBFCTECAFOD-KGLIPLIRSA-N 1 3 239.407 1.353 20 0 BDADHO CC(C)[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CCN1C ZINC000649592835 487766822 /nfs/dbraw/zinc/76/68/22/487766822.db2.gz YHYLBFCTECAFOD-KGLIPLIRSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H](O)C1(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000668700609 488135548 /nfs/dbraw/zinc/13/55/48/488135548.db2.gz UKTHASBMQOAUCD-LLVKDONJSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1COC2(CCC2)C1 ZINC000657859209 488152480 /nfs/dbraw/zinc/15/24/80/488152480.db2.gz RBVOKQATTJDJPO-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO Cn1nccc1CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000230775585 488156698 /nfs/dbraw/zinc/15/66/98/488156698.db2.gz QBMLAGXPFHSJDH-IACUBPJLSA-N 1 3 248.374 1.022 20 0 BDADHO C(CN1CCN([C@@H]2CC[NH2+]C2)CC1)C1CCC1 ZINC000398662625 488221301 /nfs/dbraw/zinc/22/13/01/488221301.db2.gz PARSVPOGHQBLDU-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO Cn1cncc1CCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000314623480 490092064 /nfs/dbraw/zinc/09/20/64/490092064.db2.gz BSQSFRLCMBUIHX-CQSZACIVSA-N 1 3 248.374 1.038 20 0 BDADHO CC[C@H]1CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000219320795 490566666 /nfs/dbraw/zinc/56/66/66/490566666.db2.gz MLWVUWFUXFAWJL-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000400613435 491132909 /nfs/dbraw/zinc/13/29/09/491132909.db2.gz XFTBOVRZIUZWSU-UONOGXRCSA-N 1 3 240.391 1.733 20 0 BDADHO CN(CCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000133738208 491159917 /nfs/dbraw/zinc/15/99/17/491159917.db2.gz BHGSOEJHITXELO-HNNXBMFYSA-N 1 3 247.386 1.542 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)C1(C)C ZINC000261553882 535514638 /nfs/dbraw/zinc/51/46/38/535514638.db2.gz OJRYPNHWBUYXBT-FVCCEPFGSA-N 1 3 240.391 1.778 20 0 BDADHO CCOCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250510404 535550593 /nfs/dbraw/zinc/55/05/93/535550593.db2.gz NOPXQGZKWNOZFH-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)CC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000344771868 534913591 /nfs/dbraw/zinc/91/35/91/534913591.db2.gz UXACHXUMBNHJAX-CYBMUJFWSA-N 1 3 242.407 1.857 20 0 BDADHO COC[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261532736 536525675 /nfs/dbraw/zinc/52/56/75/536525675.db2.gz DJWXGWALWMAJOS-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261532736 536525684 /nfs/dbraw/zinc/52/56/84/536525684.db2.gz DJWXGWALWMAJOS-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261532736 536525690 /nfs/dbraw/zinc/52/56/90/536525690.db2.gz DJWXGWALWMAJOS-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000489459910 528499122 /nfs/dbraw/zinc/49/91/22/528499122.db2.gz AFMSNLYCFDSYPO-BXKDBHETSA-N 1 3 235.331 1.628 20 0 BDADHO CC(C)COCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261589650 535177520 /nfs/dbraw/zinc/17/75/20/535177520.db2.gz UAFWAMOFMXWPNY-RWMBFGLXSA-N 1 3 226.364 1.328 20 0 BDADHO CC(C)[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000262014800 535263680 /nfs/dbraw/zinc/26/36/80/535263680.db2.gz VLRDSYGVLDDKLT-ZDUSSCGKSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261547609 535293147 /nfs/dbraw/zinc/29/31/47/535293147.db2.gz IGBCSPZRKBMWGM-JHJVBQTASA-N 1 3 240.391 1.658 20 0 BDADHO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000261570671 535461797 /nfs/dbraw/zinc/46/17/97/535461797.db2.gz HAUUSMWCTIKERS-MNOVXSKESA-N 1 3 222.332 1.911 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C1CC(OC)C1 ZINC000352204033 535502514 /nfs/dbraw/zinc/50/25/14/535502514.db2.gz WIWZQAZZTHLDOR-UHFFFAOYSA-N 1 3 228.380 1.828 20 0 BDADHO CCN(CC)CCC[N@H+](C)C1CC(OC)C1 ZINC000352204033 535502508 /nfs/dbraw/zinc/50/25/08/535502508.db2.gz WIWZQAZZTHLDOR-UHFFFAOYSA-N 1 3 228.380 1.828 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2)C1(C)C ZINC000261540132 535502934 /nfs/dbraw/zinc/50/29/34/535502934.db2.gz DVASKOAQVMRTBF-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)C1(C)C ZINC000261540132 535502939 /nfs/dbraw/zinc/50/29/39/535502939.db2.gz DVASKOAQVMRTBF-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1(C)C ZINC000261553882 535514635 /nfs/dbraw/zinc/51/46/35/535514635.db2.gz OJRYPNHWBUYXBT-FVCCEPFGSA-N 1 3 240.391 1.778 20 0 BDADHO CC[C@@H](C)N(CC(=O)OC)CC1CC[NH2+]CC1 ZINC000261935950 535552180 /nfs/dbraw/zinc/55/21/80/535552180.db2.gz MBZPEDNCGVSZDU-LLVKDONJSA-N 1 3 242.363 1.260 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC000348325827 535580917 /nfs/dbraw/zinc/58/09/17/535580917.db2.gz WTXFDDNSICRVGI-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCCO ZINC000348325827 535580923 /nfs/dbraw/zinc/58/09/23/535580923.db2.gz WTXFDDNSICRVGI-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CC[C@@H]1CO[C@@H](C)CN1CC[C@@H]1CC[NH2+]C1 ZINC000084385124 535842735 /nfs/dbraw/zinc/84/27/35/535842735.db2.gz LKIVFLXEFCMGGZ-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CN1CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000084215960 536345400 /nfs/dbraw/zinc/34/54/00/536345400.db2.gz IAONFDYUWWRLCP-YPMHNXCESA-N 1 3 225.380 1.188 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](CO)C1 ZINC000217614848 536353615 /nfs/dbraw/zinc/35/36/15/536353615.db2.gz LGHIGZXFUQWJOZ-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](CO)C1 ZINC000217614848 536353620 /nfs/dbraw/zinc/35/36/20/536353620.db2.gz LGHIGZXFUQWJOZ-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183686180 536390585 /nfs/dbraw/zinc/39/05/85/536390585.db2.gz CIBRJPTYKNOBCG-QWHCGFSZSA-N 1 3 242.407 1.857 20 0 BDADHO COC[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261535249 536526471 /nfs/dbraw/zinc/52/64/71/536526471.db2.gz XGIVGZHYCHZQTP-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1C=CCC1 ZINC000854221733 588780393 /nfs/dbraw/zinc/78/03/93/588780393.db2.gz UBQHAPBOAFURHH-WHOHXGKFSA-N 1 3 210.321 1.047 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCCCC1)CN(C)C ZINC000849030709 582833483 /nfs/dbraw/zinc/83/34/83/582833483.db2.gz SXYDAATZOWRLGB-NSHDSACASA-N 1 3 226.368 1.194 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccncc1CO ZINC000893914235 583245725 /nfs/dbraw/zinc/24/57/25/583245725.db2.gz LVYBUXAZMMFQSM-LLVKDONJSA-N 1 3 237.347 1.136 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](C)Nc1ccncc1CO ZINC000893914235 583245728 /nfs/dbraw/zinc/24/57/28/583245728.db2.gz LVYBUXAZMMFQSM-LLVKDONJSA-N 1 3 237.347 1.136 20 0 BDADHO Cc1ncoc1CNCC1(C)CC[NH+](C)CC1 ZINC000894431382 583457346 /nfs/dbraw/zinc/45/73/46/583457346.db2.gz QSZXQVJGJSJUBY-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2c[nH]cn2)C1 ZINC000894986952 583565170 /nfs/dbraw/zinc/56/51/70/583565170.db2.gz WZABZUONDBLMKY-NSHDSACASA-N 1 3 222.336 1.231 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2c[nH]cn2)C1 ZINC000894986952 583565172 /nfs/dbraw/zinc/56/51/72/583565172.db2.gz WZABZUONDBLMKY-NSHDSACASA-N 1 3 222.336 1.231 20 0 BDADHO CC[C@H](C)[C@H](CNCC[C@H](C)[NH+](C)C)OC ZINC000895291669 583637095 /nfs/dbraw/zinc/63/70/95/583637095.db2.gz AHMXWBDAWYOUPD-AVGNSLFASA-N 1 3 230.396 1.977 20 0 BDADHO C[C@H](CC[NH2+]CCC[C@H]1CCO1)N(C)C ZINC000895292652 583639145 /nfs/dbraw/zinc/63/91/45/583639145.db2.gz SYNONSFIIWPKAW-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)C[C@H](C)O1 ZINC000895404579 583666458 /nfs/dbraw/zinc/66/64/58/583666458.db2.gz UDOSHYAHQGDASG-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@H](C)O1 ZINC000895404579 583666460 /nfs/dbraw/zinc/66/64/60/583666460.db2.gz UDOSHYAHQGDASG-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)[NH2+]C1CCN(c2ccnc(CO)c2)CC1 ZINC000858386263 588950269 /nfs/dbraw/zinc/95/02/69/588950269.db2.gz IDEUXSLPHSOYQI-UHFFFAOYSA-N 1 3 249.358 1.541 20 0 BDADHO CCCC[N@H+](C)CCNc1ccnc(CO)c1 ZINC000858407945 588951821 /nfs/dbraw/zinc/95/18/21/588951821.db2.gz ODBJDRREDXULFK-UHFFFAOYSA-N 1 3 237.347 1.718 20 0 BDADHO CCCC[N@@H+](C)CCNc1ccnc(CO)c1 ZINC000858407945 588951822 /nfs/dbraw/zinc/95/18/22/588951822.db2.gz ODBJDRREDXULFK-UHFFFAOYSA-N 1 3 237.347 1.718 20 0 BDADHO C[C@H]1C[C@@H](Nc2ccnc(CO)c2)CC[N@@H+]1C ZINC000858423316 588953368 /nfs/dbraw/zinc/95/33/68/588953368.db2.gz CRWQHHQKAJDRRW-JQWIXIFHSA-N 1 3 235.331 1.469 20 0 BDADHO C[C@H]1C[C@@H](Nc2ccnc(CO)c2)CC[N@H+]1C ZINC000858423316 588953369 /nfs/dbraw/zinc/95/33/69/588953369.db2.gz CRWQHHQKAJDRRW-JQWIXIFHSA-N 1 3 235.331 1.469 20 0 BDADHO C[C@H](CCO)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000858490080 588960041 /nfs/dbraw/zinc/96/00/41/588960041.db2.gz AXOUBGPBPJTZEJ-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](NC(=[NH2+])NCCN1CC[C@H](C)C1)C1CC1 ZINC000899267644 584193016 /nfs/dbraw/zinc/19/30/16/584193016.db2.gz RAKJFNDXXCNUQQ-QWRGUYRKSA-N 1 3 238.379 1.241 20 0 BDADHO N[C@H](CO)c1ccc(C2=CCC[NH2+]C2)cc1 ZINC000899325339 584197648 /nfs/dbraw/zinc/19/76/48/584197648.db2.gz VAVWFYDTSNYAIE-CYBMUJFWSA-N 1 3 218.300 1.055 20 0 BDADHO N[C@@H](CO)c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000899327468 584197815 /nfs/dbraw/zinc/19/78/15/584197815.db2.gz AZPRWFMRIQVYOU-ILXRZTDVSA-N 1 3 244.338 1.586 20 0 BDADHO CC[C@@H](O)CCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902347094 584559104 /nfs/dbraw/zinc/55/91/04/584559104.db2.gz KTOKROPDBRWIME-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H](O)CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347094 584559105 /nfs/dbraw/zinc/55/91/05/584559105.db2.gz KTOKROPDBRWIME-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348401 584559242 /nfs/dbraw/zinc/55/92/42/584559242.db2.gz LMJSEHJRAKZXNR-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@H](O)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902348401 584559245 /nfs/dbraw/zinc/55/92/45/584559245.db2.gz LMJSEHJRAKZXNR-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349536 584559918 /nfs/dbraw/zinc/55/99/18/584559918.db2.gz XKKRDUBCXDSGMN-OLZOCXBDSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902349536 584559919 /nfs/dbraw/zinc/55/99/19/584559919.db2.gz XKKRDUBCXDSGMN-OLZOCXBDSA-N 1 3 242.407 1.761 20 0 BDADHO CO[C@H](C)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902349272 584560055 /nfs/dbraw/zinc/56/00/55/584560055.db2.gz YNLPJJJEKHHCQP-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374399 584567547 /nfs/dbraw/zinc/56/75/47/584567547.db2.gz LPFCSYRHSVIMRO-IJWDBEHRSA-N 1 3 240.391 1.681 20 0 BDADHO CO[C@@H](C)[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385728 584578445 /nfs/dbraw/zinc/57/84/45/584578445.db2.gz ABHBAEYTAPHYHD-GRYCIOLGSA-N 1 3 228.380 1.778 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CC2)C12CCCC2 ZINC000902412780 584580945 /nfs/dbraw/zinc/58/09/45/584580945.db2.gz DTRSQQRNYOHDNM-NEPJUHHUSA-N 1 3 238.375 1.805 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902391722 584582550 /nfs/dbraw/zinc/58/25/50/584582550.db2.gz ZJICHMVCAMQYEG-XQQFMLRXSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1COC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902403497 584588159 /nfs/dbraw/zinc/58/81/59/584588159.db2.gz HKHDQSYFQQJMOA-IJLUTSLNSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCON ZINC000902415782 584589699 /nfs/dbraw/zinc/58/96/99/584589699.db2.gz QZFDDIVQTZPLKH-NEPJUHHUSA-N 1 3 229.368 1.167 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429782 584594603 /nfs/dbraw/zinc/59/46/03/584594603.db2.gz GYXGQXSRNHWYSU-DRZSPHRISA-N 1 3 240.391 1.765 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000902430038 584594750 /nfs/dbraw/zinc/59/47/50/584594750.db2.gz CCSPXOJUUIHTON-REWJHTLYSA-N 1 3 231.343 1.081 20 0 BDADHO C[C@H]([NH2+]CC(C)(C)C1CCOCC1)C1CNC1 ZINC000902432864 584596103 /nfs/dbraw/zinc/59/61/03/584596103.db2.gz RJMCWSUJNFYYOI-NSHDSACASA-N 1 3 240.391 1.637 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436570 584596475 /nfs/dbraw/zinc/59/64/75/584596475.db2.gz ZWDQIYDJYCQVQF-JUDXGUMMSA-N 1 3 245.370 1.199 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452532 584607165 /nfs/dbraw/zinc/60/71/65/584607165.db2.gz KSZRYSCQLFHGSX-JIHIYPPSSA-N 1 3 222.332 1.022 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454788 584609544 /nfs/dbraw/zinc/60/95/44/584609544.db2.gz VQMFLDLOOAPDJK-XNQJJRNTSA-N 1 3 236.359 1.412 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468819 584615510 /nfs/dbraw/zinc/61/55/10/584615510.db2.gz WIEBLKPKJPFEFO-XJFOESAGSA-N 1 3 248.374 1.390 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCCCCN1)C(C)C ZINC000902482984 584623899 /nfs/dbraw/zinc/62/38/99/584623899.db2.gz OHYMQLZCYSYTDU-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1COC[C@@H]1C1CC1 ZINC000902522033 584631515 /nfs/dbraw/zinc/63/15/15/584631515.db2.gz VKGYCAZZEVZFJD-GAIPPQHRSA-N 1 3 212.337 1.127 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2COC[C@H]2C2CC2)C1 ZINC000902522018 584631532 /nfs/dbraw/zinc/63/15/32/584631532.db2.gz VEWZLXYNGAESFD-MROQNXINSA-N 1 3 224.348 1.271 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)C12CCC2 ZINC000902521706 584631661 /nfs/dbraw/zinc/63/16/61/584631661.db2.gz STHMBWDUTQXJEC-XQHKEYJVSA-N 1 3 236.359 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2COC[C@@H]2C2CC2)C12CCC2 ZINC000902521706 584631662 /nfs/dbraw/zinc/63/16/62/584631662.db2.gz STHMBWDUTQXJEC-XQHKEYJVSA-N 1 3 236.359 1.271 20 0 BDADHO C[C@@H]1COC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000903397327 584757231 /nfs/dbraw/zinc/75/72/31/584757231.db2.gz WSLNGAPZBBCGBH-BXUZGUMPSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@@H]1COC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000903397329 584757519 /nfs/dbraw/zinc/75/75/19/584757519.db2.gz WSLNGAPZBBCGBH-RISCZKNCSA-N 1 3 238.375 1.485 20 0 BDADHO CC[C@](C)(CC(=O)OC)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903459515 584766140 /nfs/dbraw/zinc/76/61/40/584766140.db2.gz UWSRAEREUJYRLN-NTZNESFSSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@]2(C1)CCCOC2 ZINC000903464375 584767824 /nfs/dbraw/zinc/76/78/24/584767824.db2.gz LBMVATMMDMXMFV-HZSPNIEDSA-N 1 3 238.375 1.344 20 0 BDADHO COCC1(C)CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903457517 584774703 /nfs/dbraw/zinc/77/47/03/584774703.db2.gz VSKOTMNKFSJZQU-OLZOCXBDSA-N 1 3 240.391 1.590 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C)(F)CC1 ZINC000903476825 584777690 /nfs/dbraw/zinc/77/76/90/584777690.db2.gz LCJOJVYATICXOG-MNOVXSKESA-N 1 3 214.328 1.666 20 0 BDADHO Cc1cc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)ncn1 ZINC000903499674 584779926 /nfs/dbraw/zinc/77/99/26/584779926.db2.gz XVJHQBWOZZTDRL-ZYHUDNBSSA-N 1 3 234.347 1.202 20 0 BDADHO Cc1nc([C@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)n[nH]1 ZINC000903499689 584780087 /nfs/dbraw/zinc/78/00/87/584780087.db2.gz YNFSBDZOTXTOCD-WCABBAIRSA-N 1 3 237.351 1.091 20 0 BDADHO CCc1nocc1CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499431 584780157 /nfs/dbraw/zinc/78/01/57/584780157.db2.gz UTDJGMXBIMXDFP-GHMZBOCLSA-N 1 3 237.347 1.654 20 0 BDADHO [NH3+]CCOCCN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000903491133 584780960 /nfs/dbraw/zinc/78/09/60/584780960.db2.gz WVNZGRSPHJFHFV-LSDHHAIUSA-N 1 3 246.354 1.235 20 0 BDADHO COC(=O)[C@H](C)CN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903752913 584796111 /nfs/dbraw/zinc/79/61/11/584796111.db2.gz PZVQODPPLDHYHU-VXGBXAGGSA-N 1 3 242.363 1.117 20 0 BDADHO C[C@H](Cn1cccn1)NC[C@H]1CCCC[NH2+]C1 ZINC000903760760 584797273 /nfs/dbraw/zinc/79/72/73/584797273.db2.gz YIGSEVSLXFJTHM-OLZOCXBDSA-N 1 3 236.363 1.251 20 0 BDADHO CN1CCN(C[C@H]2CCCC[NH2+]C2)C(C)(C)C1 ZINC000903769598 584798091 /nfs/dbraw/zinc/79/80/91/584798091.db2.gz KAKQZYGHBJPVSE-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CC1CC(CN2CCC([NH2+]CCO)CC2)C1 ZINC000903778235 584799464 /nfs/dbraw/zinc/79/94/64/584799464.db2.gz LKHGMWJKYZALCZ-UHFFFAOYSA-N 1 3 226.364 1.079 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903802962 584802289 /nfs/dbraw/zinc/80/22/89/584802289.db2.gz UTSNAZIXXHOKLO-GXTWGEPZSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903802962 584802290 /nfs/dbraw/zinc/80/22/90/584802290.db2.gz UTSNAZIXXHOKLO-GXTWGEPZSA-N 1 3 248.374 1.166 20 0 BDADHO C[C@H]1CSCCC[N@@H+]1CCCNC1CC1 ZINC000903831570 584806096 /nfs/dbraw/zinc/80/60/96/584806096.db2.gz JWSMFYZGKNGGCQ-NSHDSACASA-N 1 3 228.405 1.956 20 0 BDADHO C[C@H]1CSCCC[N@H+]1CCCNC1CC1 ZINC000903831570 584806098 /nfs/dbraw/zinc/80/60/98/584806098.db2.gz JWSMFYZGKNGGCQ-NSHDSACASA-N 1 3 228.405 1.956 20 0 BDADHO C[C@@H]1CCOCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903832993 584806318 /nfs/dbraw/zinc/80/63/18/584806318.db2.gz VAQWXEMMEFFOTO-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C[C@@H](O)c1ccccc1)C2 ZINC000903838595 584806422 /nfs/dbraw/zinc/80/64/22/584806422.db2.gz DGKJPJQHVPUUET-CYUUQNCZSA-N 1 3 246.354 1.532 20 0 BDADHO NCCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903875950 584816624 /nfs/dbraw/zinc/81/66/24/584816624.db2.gz UOANOEHQCYLEHK-QWHCGFSZSA-N 1 3 226.364 1.474 20 0 BDADHO NCCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903875950 584816625 /nfs/dbraw/zinc/81/66/25/584816625.db2.gz UOANOEHQCYLEHK-QWHCGFSZSA-N 1 3 226.364 1.474 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903874480 584816742 /nfs/dbraw/zinc/81/67/42/584816742.db2.gz BQXLDRJMAQMPEU-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CNCCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000903874480 584816743 /nfs/dbraw/zinc/81/67/43/584816743.db2.gz BQXLDRJMAQMPEU-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CC[C@H](NC[C@@H]([NH3+])CC(F)F)[C@H]1CCCO1 ZINC000903923363 584823462 /nfs/dbraw/zinc/82/34/62/584823462.db2.gz RRPCCWOLHVBRSI-LPEHRKFASA-N 1 3 236.306 1.516 20 0 BDADHO Cn1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)c1 ZINC000903958005 584827436 /nfs/dbraw/zinc/82/74/36/584827436.db2.gz VNXFJPOBJVVWFZ-NSHDSACASA-N 1 3 243.301 1.360 20 0 BDADHO CC(C)(C)CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974115 584832711 /nfs/dbraw/zinc/83/27/11/584832711.db2.gz MCDVNICOVJEHLP-LBPRGKRZSA-N 1 3 240.391 1.781 20 0 BDADHO CC(C)(C)CN(CCO)C[C@]1(C)CCC[NH2+]C1 ZINC000904317932 584864045 /nfs/dbraw/zinc/86/40/45/584864045.db2.gz KATAKBKWFRZCIS-CQSZACIVSA-N 1 3 242.407 1.717 20 0 BDADHO CC(C)(C)C[N@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904317932 584864047 /nfs/dbraw/zinc/86/40/47/584864047.db2.gz KATAKBKWFRZCIS-CQSZACIVSA-N 1 3 242.407 1.717 20 0 BDADHO CC(C)(C)C[N@@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904317932 584864048 /nfs/dbraw/zinc/86/40/48/584864048.db2.gz KATAKBKWFRZCIS-CQSZACIVSA-N 1 3 242.407 1.717 20 0 BDADHO CC[C@@H]1CN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC000904346567 584868319 /nfs/dbraw/zinc/86/83/19/584868319.db2.gz UFGAJKAFTLMTJX-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)C[C@@H]1O ZINC000904346567 584868320 /nfs/dbraw/zinc/86/83/20/584868320.db2.gz UFGAJKAFTLMTJX-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)C[C@@H]1O ZINC000904346567 584868321 /nfs/dbraw/zinc/86/83/21/584868321.db2.gz UFGAJKAFTLMTJX-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)[C@H](C)O1 ZINC000904345773 584868426 /nfs/dbraw/zinc/86/84/26/584868426.db2.gz IZMPNKNBJDHSEG-ZIQFBCGOSA-N 1 3 212.337 1.221 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)[C@@H](C)O1 ZINC000904345772 584868612 /nfs/dbraw/zinc/86/86/12/584868612.db2.gz IZMPNKNBJDHSEG-ROHXPCBUSA-N 1 3 212.337 1.221 20 0 BDADHO c1cn(C2CC2)c(CNCCC[C@H]2CCC[NH2+]2)n1 ZINC000904355040 584870871 /nfs/dbraw/zinc/87/08/71/584870871.db2.gz MAWUCMGMYHOACS-LBPRGKRZSA-N 1 3 248.374 1.840 20 0 BDADHO COCCC[NH2+]C[C@@]1(C)CCCNC1 ZINC000904367982 584872514 /nfs/dbraw/zinc/87/25/14/584872514.db2.gz LVVMDAZBVMVDSV-NSHDSACASA-N 1 3 200.326 1.002 20 0 BDADHO C[C@H](NC1CCN(CC[NH3+])CC1)c1ccccn1 ZINC000904367498 584872598 /nfs/dbraw/zinc/87/25/98/584872598.db2.gz CYCQIXUINQZWMI-LBPRGKRZSA-N 1 3 248.374 1.155 20 0 BDADHO C[C@]1(C[NH2+]CCCn2ccnc2)CCCNC1 ZINC000904367505 584872859 /nfs/dbraw/zinc/87/28/59/584872859.db2.gz DAOYNLLTTPCRGZ-ZDUSSCGKSA-N 1 3 236.363 1.253 20 0 BDADHO CCc1ncc(CN2CC[C@H](CC[NH3+])C2)s1 ZINC000904405678 584878728 /nfs/dbraw/zinc/87/87/28/584878728.db2.gz MJQOHSIZRNQYKN-JTQLQIEISA-N 1 3 239.388 1.876 20 0 BDADHO CCn1nccc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412340 584879707 /nfs/dbraw/zinc/87/97/07/584879707.db2.gz SXMCVYKXBHSPFP-NWDGAFQWSA-N 1 3 236.363 1.320 20 0 BDADHO C[C@@H]1CCCN1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000817912534 584991112 /nfs/dbraw/zinc/99/11/12/584991112.db2.gz HHDCEKZWNYNGNX-HABKJSAYSA-N 1 3 237.391 1.343 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838859180 585075723 /nfs/dbraw/zinc/07/57/23/585075723.db2.gz DGCOSJJRXHWWJZ-GXTWGEPZSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838859180 585075724 /nfs/dbraw/zinc/07/57/24/585075724.db2.gz DGCOSJJRXHWWJZ-GXTWGEPZSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886830619 585180852 /nfs/dbraw/zinc/18/08/52/585180852.db2.gz VEBGOQKZNVYOEL-DGAVXFQQSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886830619 585180853 /nfs/dbraw/zinc/18/08/53/585180853.db2.gz VEBGOQKZNVYOEL-DGAVXFQQSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886830620 585181001 /nfs/dbraw/zinc/18/10/01/585181001.db2.gz VEBGOQKZNVYOEL-REWJHTLYSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886830620 585181002 /nfs/dbraw/zinc/18/10/02/585181002.db2.gz VEBGOQKZNVYOEL-REWJHTLYSA-N 1 3 238.375 1.472 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)[C@@H](C)C1 ZINC000755068647 585294119 /nfs/dbraw/zinc/29/41/19/585294119.db2.gz XRUYMPRZWWPKCQ-ZDUSSCGKSA-N 1 3 227.396 1.354 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)CCO)CN1CCCCC1 ZINC000779393286 585753165 /nfs/dbraw/zinc/75/31/65/585753165.db2.gz RDPZRCHTMZVALF-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](CN[C@@H](C)CCO)C[NH+]1CCCCC1 ZINC000779393286 585753166 /nfs/dbraw/zinc/75/31/66/585753166.db2.gz RDPZRCHTMZVALF-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779411703 585754023 /nfs/dbraw/zinc/75/40/23/585754023.db2.gz GPKLMHJNPRJDIE-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H](C)CCO)C1 ZINC000779411703 585754024 /nfs/dbraw/zinc/75/40/24/585754024.db2.gz GPKLMHJNPRJDIE-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)CCO)C1 ZINC000779411703 585754025 /nfs/dbraw/zinc/75/40/25/585754025.db2.gz GPKLMHJNPRJDIE-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CN(C/C=C/Cl)CCCN(C)CC[NH+](C)C ZINC000808781273 586489617 /nfs/dbraw/zinc/48/96/17/586489617.db2.gz CYBHBIUNWLOOFB-FNORWQNLSA-N 1 3 247.814 1.554 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@H](C)C[C@H](C)[NH3+] ZINC000817889106 586832237 /nfs/dbraw/zinc/83/22/37/586832237.db2.gz MLXHMKARKHYKMS-OUCADQQQSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@@H](O)c1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893550 586832425 /nfs/dbraw/zinc/83/24/25/586832425.db2.gz GWKQEXWRTKFTCK-QJPTWQEYSA-N 1 3 236.359 1.955 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000817892510 586832788 /nfs/dbraw/zinc/83/27/88/586832788.db2.gz ASNQGQDHARRQBK-BPNCWPANSA-N 1 3 234.343 1.709 20 0 BDADHO CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000817893222 586834201 /nfs/dbraw/zinc/83/42/01/586834201.db2.gz CZJQTYLBJVVSLX-FRRDWIJNSA-N 1 3 228.380 1.909 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000817898064 586834987 /nfs/dbraw/zinc/83/49/87/586834987.db2.gz ZFGCFWMVZBDKMA-CHWFTXMASA-N 1 3 216.394 1.986 20 0 BDADHO Cc1cccc(OCCCN[C@@H](C)C2C[NH2+]C2)c1 ZINC000817907806 586837007 /nfs/dbraw/zinc/83/70/07/586837007.db2.gz WRWQSICAWISNEF-ZDUSSCGKSA-N 1 3 248.370 1.961 20 0 BDADHO Cc1cccc(OCCC[NH2+][C@@H](C)C2CNC2)c1 ZINC000817907806 586837008 /nfs/dbraw/zinc/83/70/08/586837008.db2.gz WRWQSICAWISNEF-ZDUSSCGKSA-N 1 3 248.370 1.961 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1N)c1ccsc1 ZINC000817911504 586837889 /nfs/dbraw/zinc/83/78/89/586837889.db2.gz BSZYAMGKZCWWHT-TUAOUCFPSA-N 1 3 240.372 1.425 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@](C)(O)c1cccs1 ZINC000817911454 586837931 /nfs/dbraw/zinc/83/79/31/586837931.db2.gz AQSAXXHTWJWXEY-NHCYSSNCSA-N 1 3 242.388 1.671 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1N)c1ccsc1 ZINC000817911501 586838028 /nfs/dbraw/zinc/83/80/28/586838028.db2.gz BSZYAMGKZCWWHT-SRVKXCTJSA-N 1 3 240.372 1.425 20 0 BDADHO C[C@H](NCC[C@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923946 586841025 /nfs/dbraw/zinc/84/10/25/586841025.db2.gz ITLMSBPKNRVUKD-WFASDCNBSA-N 1 3 248.370 1.482 20 0 BDADHO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)C1CNC1 ZINC000817923946 586841028 /nfs/dbraw/zinc/84/10/28/586841028.db2.gz ITLMSBPKNRVUKD-WFASDCNBSA-N 1 3 248.370 1.482 20 0 BDADHO CC(C)(O)c1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000817925270 586841225 /nfs/dbraw/zinc/84/12/25/586841225.db2.gz UQXNXAZOMHVKTF-KGLIPLIRSA-N 1 3 248.370 1.883 20 0 BDADHO CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000817925271 586841251 /nfs/dbraw/zinc/84/12/51/586841251.db2.gz UQXNXAZOMHVKTF-UONOGXRCSA-N 1 3 248.370 1.883 20 0 BDADHO CC1(C[NH2+][C@H]2CCCCC[C@@H]2N)OCCCO1 ZINC000817926416 586841445 /nfs/dbraw/zinc/84/14/45/586841445.db2.gz IFIGTENZPAYTAA-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H](O)c1ccccc1 ZINC000817930566 586842105 /nfs/dbraw/zinc/84/21/05/586842105.db2.gz DBUCYVSLWLYWLY-FMSGJZPZSA-N 1 3 236.359 1.824 20 0 BDADHO C[C@H](CNC[C@H](O)C1CC1)C[NH+]1CCCC1 ZINC000818965994 586917957 /nfs/dbraw/zinc/91/79/57/586917957.db2.gz GIWJXVUAGPJATQ-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](C[NH2+]C[C@H](O)C1CC1)CN1CCCC1 ZINC000818965994 586917959 /nfs/dbraw/zinc/91/79/59/586917959.db2.gz GIWJXVUAGPJATQ-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO CCC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000830028104 587532434 /nfs/dbraw/zinc/53/24/34/587532434.db2.gz DZMQGRGYRWLYAV-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000830028104 587532435 /nfs/dbraw/zinc/53/24/35/587532435.db2.gz DZMQGRGYRWLYAV-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1CCCN1CCNC(=O)CCCCC[NH3+] ZINC000831970492 587639857 /nfs/dbraw/zinc/63/98/57/587639857.db2.gz HHMFHTHPPMRAFA-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO CC(C)(NCCC[NH3+])c1ccc(F)cc1 ZINC000841009654 587935029 /nfs/dbraw/zinc/93/50/29/587935029.db2.gz GAWAPTKVFAHOOT-UHFFFAOYSA-N 1 3 210.296 1.999 20 0 BDADHO C[NH2+]CCCN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841042647 587938464 /nfs/dbraw/zinc/93/84/64/587938464.db2.gz OMNAUTFPNWHXCB-GMTAPVOTSA-N 1 3 246.445 1.565 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841042647 587938465 /nfs/dbraw/zinc/93/84/65/587938465.db2.gz OMNAUTFPNWHXCB-GMTAPVOTSA-N 1 3 246.445 1.565 20 0 BDADHO NCc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000841845315 587977287 /nfs/dbraw/zinc/97/72/87/587977287.db2.gz RPPJUYHFQFCALC-UHFFFAOYSA-N 1 3 249.358 1.993 20 0 BDADHO NCc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000841850724 587978382 /nfs/dbraw/zinc/97/83/82/587978382.db2.gz FGXXEJAGQPCJHL-OLZOCXBDSA-N 1 3 247.342 1.145 20 0 BDADHO [NH3+]CCCCCCN1CCOC[C@H]1C1CC1 ZINC000846221120 588261382 /nfs/dbraw/zinc/26/13/82/588261382.db2.gz SSWZLBRSVXZLIO-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(CN)c1 ZINC000846744353 588284308 /nfs/dbraw/zinc/28/43/08/588284308.db2.gz YXTYAPAIKVECBS-GXFFZTMASA-N 1 3 247.342 1.097 20 0 BDADHO CN(C)C(=[NH2+])NCC1(N(C)C)CCCCCC1 ZINC000848982266 588424121 /nfs/dbraw/zinc/42/41/21/588424121.db2.gz XGQLTHWZWCQNCU-UHFFFAOYSA-N 1 3 240.395 1.727 20 0 BDADHO C[C@@H](CNC(=[NH2+])NC1CCC1)N1CCCC1 ZINC000848986683 588425907 /nfs/dbraw/zinc/42/59/07/588425907.db2.gz UJLQBDIRLPPHPP-JTQLQIEISA-N 1 3 224.352 1.137 20 0 BDADHO CCNC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000848987932 588426476 /nfs/dbraw/zinc/42/64/76/588426476.db2.gz QIUJZSIFCFMJIO-UHFFFAOYSA-N 1 3 226.368 1.385 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004259 588431618 /nfs/dbraw/zinc/43/16/18/588431618.db2.gz JQXRNHFKZYNXCJ-QWRGUYRKSA-N 1 3 226.368 1.241 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCF ZINC000849030079 588442203 /nfs/dbraw/zinc/44/22/03/588442203.db2.gz BSBMMDSZHCOUFZ-LLVKDONJSA-N 1 3 244.358 1.334 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771944 588625770 /nfs/dbraw/zinc/62/57/70/588625770.db2.gz SKPKXJSDRRZANG-NEPJUHHUSA-N 1 3 242.363 1.021 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000851771944 588625771 /nfs/dbraw/zinc/62/57/71/588625771.db2.gz SKPKXJSDRRZANG-NEPJUHHUSA-N 1 3 242.363 1.021 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOC(F)F)C[C@H]21 ZINC000852746632 588699012 /nfs/dbraw/zinc/69/90/12/588699012.db2.gz MUWRXALALMMDTH-OPRDCNLKSA-N 1 3 234.290 1.285 20 0 BDADHO NCC[N@H+](CCO)CC[C@H]1CCc2ccccc21 ZINC000852747054 588699126 /nfs/dbraw/zinc/69/91/26/588699126.db2.gz WIOKKRXIIBJHMR-CQSZACIVSA-N 1 3 248.370 1.360 20 0 BDADHO NCC[N@@H+](CCO)CC[C@H]1CCc2ccccc21 ZINC000852747054 588699127 /nfs/dbraw/zinc/69/91/27/588699127.db2.gz WIOKKRXIIBJHMR-CQSZACIVSA-N 1 3 248.370 1.360 20 0 BDADHO COCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000863644078 589307054 /nfs/dbraw/zinc/30/70/54/589307054.db2.gz JIRCUDKJNPNGLY-MNOVXSKESA-N 1 3 212.337 1.286 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cn(C3CC3)cn2)C1 ZINC000865617216 589451524 /nfs/dbraw/zinc/45/15/24/589451524.db2.gz MVNIEEFOEWHOOQ-VDISTLRHSA-N 1 3 248.374 1.648 20 0 BDADHO [NH3+][C@@]12CCC[C@@H]1CN(CCCC1CC1)C2 ZINC000866668683 589510028 /nfs/dbraw/zinc/51/00/28/589510028.db2.gz ICXIQMNESWLGRH-CHWSQXEVSA-N 1 3 208.349 1.990 20 0 BDADHO C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000866673169 589510557 /nfs/dbraw/zinc/51/05/57/589510557.db2.gz WZOCDNZKKNDHIU-IAQYHMDHSA-N 1 3 246.354 1.743 20 0 BDADHO NCc1cccc(NC(=O)CC[NH2+]CC2CC2)c1 ZINC000870932495 589697982 /nfs/dbraw/zinc/69/79/82/589697982.db2.gz GMRGKNKOROPCEI-UHFFFAOYSA-N 1 3 247.342 1.474 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872141921 589882413 /nfs/dbraw/zinc/88/24/13/589882413.db2.gz ZPVNPLUIBVPUPA-RQJABVFESA-N 1 3 240.391 1.907 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CC2(CCC2)CO1 ZINC000872145634 589883901 /nfs/dbraw/zinc/88/39/01/589883901.db2.gz VQEFOMCMSSXLKX-NWDGAFQWSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1cc(CN(C)CCCCCC[NH3+])ncn1 ZINC000872155367 589886442 /nfs/dbraw/zinc/88/64/42/589886442.db2.gz LEBWQZVBOZWEFY-UHFFFAOYSA-N 1 3 236.363 1.736 20 0 BDADHO CC[NH2+]CCNCc1cc2c(s1)CCNC2 ZINC000873210652 589994940 /nfs/dbraw/zinc/99/49/40/589994940.db2.gz MZJXQQUFSSCLCC-UHFFFAOYSA-N 1 3 239.388 1.093 20 0 BDADHO C[NH2+]C[C@@H](C)NCc1cc2c(s1)CCNC2 ZINC000873211777 589996624 /nfs/dbraw/zinc/99/66/24/589996624.db2.gz BBBCCTPVDQDSNX-SECBINFHSA-N 1 3 239.388 1.091 20 0 BDADHO C(C[C@H]1CCOC1)[NH2+][C@@]12CCC[C@@H]1NCC2 ZINC000873231052 590003639 /nfs/dbraw/zinc/00/36/39/590003639.db2.gz FQEALWBLVPQNCM-RWMBFGLXSA-N 1 3 224.348 1.287 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1ccnc(F)c1 ZINC000873240875 590005366 /nfs/dbraw/zinc/00/53/66/590005366.db2.gz CMMZSQSUQJPHNE-LLVKDONJSA-N 1 3 241.310 1.064 20 0 BDADHO Nc1cc(F)cc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000873290106 590023374 /nfs/dbraw/zinc/02/33/74/590023374.db2.gz OCGAIZVAZZFWEP-AAEUAGOBSA-N 1 3 237.322 1.767 20 0 BDADHO C[C@@H](NC1CC1)C(=O)N(C)CCCCCC[NH3+] ZINC000877438751 590328162 /nfs/dbraw/zinc/32/81/62/590328162.db2.gz VUPLRGQZJAQMLQ-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513898 /nfs/dbraw/zinc/51/38/98/590513898.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513901 /nfs/dbraw/zinc/51/39/01/590513901.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513902 /nfs/dbraw/zinc/51/39/02/590513902.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000878167259 590513905 /nfs/dbraw/zinc/51/39/05/590513905.db2.gz RBMYRHCLKSRUQC-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000878513253 590583712 /nfs/dbraw/zinc/58/37/12/590583712.db2.gz YNSZZJIIYHCXKD-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000878513253 590583715 /nfs/dbraw/zinc/58/37/15/590583715.db2.gz YNSZZJIIYHCXKD-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1C[C@@H](CN2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000878513253 590583717 /nfs/dbraw/zinc/58/37/17/590583717.db2.gz YNSZZJIIYHCXKD-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)[C@@H](O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878645050 590600277 /nfs/dbraw/zinc/60/02/77/590600277.db2.gz GTMRZYAAMJUQSN-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878645050 590600279 /nfs/dbraw/zinc/60/02/79/590600279.db2.gz GTMRZYAAMJUQSN-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569964 590807244 /nfs/dbraw/zinc/80/72/44/590807244.db2.gz CSCNMJDTYIBYTB-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569964 590807245 /nfs/dbraw/zinc/80/72/45/590807245.db2.gz CSCNMJDTYIBYTB-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815309 /nfs/dbraw/zinc/81/53/09/590815309.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815312 /nfs/dbraw/zinc/81/53/12/590815312.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815314 /nfs/dbraw/zinc/81/53/14/590815314.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CC[C@H]2CN(CCC(C)(C)O)CC[C@@H]21 ZINC000879573994 590815316 /nfs/dbraw/zinc/81/53/16/590815316.db2.gz VJZRZARIKPKRBS-RYUDHWBXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H](O)CC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473373 591054490 /nfs/dbraw/zinc/05/44/90/591054490.db2.gz DGZXDVNGNRTQDS-GFCCVEGCSA-N 1 3 226.364 1.318 20 0 BDADHO CC1(C)Nc2ccccc2[C@H]1[NH2+]CCN ZINC000883464414 591675830 /nfs/dbraw/zinc/67/58/30/591675830.db2.gz MVSNFSOPAVOMNI-LLVKDONJSA-N 1 3 205.305 1.480 20 0 BDADHO CC[S@](=O)CC[NH2+][C@H](C)C1CCN(C)CC1 ZINC000133516432 591811077 /nfs/dbraw/zinc/81/10/77/591811077.db2.gz ORKNYLYHYDNCLK-BDJLRTHQSA-N 1 3 246.420 1.075 20 0 BDADHO CCC1(N2CCC2)CC[NH+]([C@@H](C)COC)CC1 ZINC000886711401 592309530 /nfs/dbraw/zinc/30/95/30/592309530.db2.gz VMDKNTYPOAJAMQ-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828233 592350997 /nfs/dbraw/zinc/35/09/97/592350997.db2.gz ZZIWNHOJTBJRLD-AVGNSLFASA-N 1 3 224.348 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828233 592351003 /nfs/dbraw/zinc/35/10/03/592351003.db2.gz ZZIWNHOJTBJRLD-AVGNSLFASA-N 1 3 224.348 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828233 592351007 /nfs/dbraw/zinc/35/10/07/592351007.db2.gz ZZIWNHOJTBJRLD-AVGNSLFASA-N 1 3 224.348 1.084 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827712 592351378 /nfs/dbraw/zinc/35/13/78/592351378.db2.gz QDPZCHJJXNODFX-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827712 592351383 /nfs/dbraw/zinc/35/13/83/592351383.db2.gz QDPZCHJJXNODFX-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827712 592351388 /nfs/dbraw/zinc/35/13/88/592351388.db2.gz QDPZCHJJXNODFX-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1N ZINC000300050293 592501339 /nfs/dbraw/zinc/50/13/39/592501339.db2.gz YJAKJTKXJJIJDR-MWLCHTKSSA-N 1 3 210.346 1.570 20 0 BDADHO C[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1N ZINC000300050293 592501342 /nfs/dbraw/zinc/50/13/42/592501342.db2.gz YJAKJTKXJJIJDR-MWLCHTKSSA-N 1 3 210.346 1.570 20 0 BDADHO CC(C)(CN)C[NH2+]C[C@@]1(C)CCCCO1 ZINC001575315893 993009342 /nfs/dbraw/zinc/00/93/42/993009342.db2.gz ZTIHIUHCONZANI-GFCCVEGCSA-N 1 3 214.353 1.520 20 0 BDADHO CC1(C)[C@H]([NH2+]C[C@H]2C[C@H](O)C2)[C@@H]2CCCN[C@@H]21 ZINC000925730462 634553924 /nfs/dbraw/zinc/55/39/24/634553924.db2.gz OHDCFJGXWJJSQU-NJMOYASZSA-N 1 3 238.375 1.124 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000925782760 635279275 /nfs/dbraw/zinc/27/92/75/635279275.db2.gz HQDNSRHTUNVIIM-WISYIIOYSA-N 1 3 214.328 1.712 20 0 BDADHO CC[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051919016 632012834 /nfs/dbraw/zinc/01/28/34/632012834.db2.gz SKOPBCDZCMFLMP-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](C)C[C@H](O)CNC(C)(C)CSC ZINC000934667243 632015187 /nfs/dbraw/zinc/01/51/87/632015187.db2.gz AELDAHGRUNEPPN-SNVBAGLBSA-N 1 3 234.409 1.030 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CNC(C)(C)CSC ZINC000934667243 632015190 /nfs/dbraw/zinc/01/51/90/632015190.db2.gz AELDAHGRUNEPPN-SNVBAGLBSA-N 1 3 234.409 1.030 20 0 BDADHO [NH3+][C@@H](CC(F)F)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000309511187 632434004 /nfs/dbraw/zinc/43/40/04/632434004.db2.gz PJBTZBYSNSGAHW-AXFHLTTASA-N 1 3 230.302 1.867 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000228335742 632465500 /nfs/dbraw/zinc/46/55/00/632465500.db2.gz GFABVYDYNSZTNV-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000228335742 632465491 /nfs/dbraw/zinc/46/54/91/632465491.db2.gz GFABVYDYNSZTNV-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H](CCO)[NH2+]CC(C)(C)CN1CCCC1 ZINC000309558544 632496069 /nfs/dbraw/zinc/49/60/69/632496069.db2.gz KHMNGDGWWZDCOJ-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)CCN1CCC([NH2+]CCCO)CC1 ZINC000924537401 632769696 /nfs/dbraw/zinc/76/96/96/632769696.db2.gz ZNHCQQGYXLGZFR-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H](C[NH3+])NC[C@H]1CCOc2ccccc21 ZINC000161986425 633015692 /nfs/dbraw/zinc/01/56/92/633015692.db2.gz WAMCJGGJYMBILW-WDEREUQCSA-N 1 3 220.316 1.490 20 0 BDADHO C[C@H](N)[C@@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000925509913 633849299 /nfs/dbraw/zinc/84/92/99/633849299.db2.gz PVHJBVOHQNXWIQ-GXTWGEPZSA-N 1 3 244.342 1.561 20 0 BDADHO CC[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309982837 634026578 /nfs/dbraw/zinc/02/65/78/634026578.db2.gz ADCSSJBCUMGZCA-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO Cn1cc(CCCN[C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925576897 634078699 /nfs/dbraw/zinc/07/86/99/634078699.db2.gz LCAGMZZWGBFZBB-QWHCGFSZSA-N 1 3 248.374 1.212 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643415 634195079 /nfs/dbraw/zinc/19/50/79/634195079.db2.gz IMRCISFMKNRCND-IJLUTSLNSA-N 1 3 246.358 1.057 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643415 634195084 /nfs/dbraw/zinc/19/50/84/634195084.db2.gz IMRCISFMKNRCND-IJLUTSLNSA-N 1 3 246.358 1.057 20 0 BDADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925661952 634226641 /nfs/dbraw/zinc/22/66/41/634226641.db2.gz FTSVTDKEGDEKLF-WUHRBBMRSA-N 1 3 238.375 1.804 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCNC12CCC2 ZINC000925684391 634293951 /nfs/dbraw/zinc/29/39/51/634293951.db2.gz AMZSQCBFUDMJQY-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925686895 634300339 /nfs/dbraw/zinc/30/03/39/634300339.db2.gz XKASFLKNQYZBGU-NOOOWODRSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925686895 634300344 /nfs/dbraw/zinc/30/03/44/634300344.db2.gz XKASFLKNQYZBGU-NOOOWODRSA-N 1 3 224.348 1.413 20 0 BDADHO COC[C@H](C[NH2+]C1CCNCC1)C(C)C ZINC000925873963 635595479 /nfs/dbraw/zinc/59/54/79/635595479.db2.gz OLFJFCNTXGGPMN-NSHDSACASA-N 1 3 214.353 1.247 20 0 BDADHO COC[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C(C)C ZINC000925873894 635595987 /nfs/dbraw/zinc/59/59/87/635595987.db2.gz MWGOWPVMMHGWJI-AVGNSLFASA-N 1 3 228.380 1.622 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C(C)(C)CO ZINC000925217383 636398720 /nfs/dbraw/zinc/39/87/20/636398720.db2.gz OLEMOZLQIJLYFX-AVGNSLFASA-N 1 3 242.407 1.856 20 0 BDADHO CCON1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000323434958 636942158 /nfs/dbraw/zinc/94/21/58/636942158.db2.gz BMFBVZDQJPVQKM-GFCCVEGCSA-N 1 3 243.395 1.190 20 0 BDADHO [O-]c1cncc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000904434080 637400853 /nfs/dbraw/zinc/40/08/53/637400853.db2.gz SXPSOTWZQMVEKU-VGPLMAKISA-N 1 3 247.342 1.407 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911722407 639746012 /nfs/dbraw/zinc/74/60/12/639746012.db2.gz ROHWDKYAIUTFCC-TUAOUCFPSA-N 1 3 241.379 1.090 20 0 BDADHO CCOC1CC(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931277566 640127893 /nfs/dbraw/zinc/12/78/93/640127893.db2.gz LMFBOICRMXKBPB-TWASESMYSA-N 1 3 238.375 1.293 20 0 BDADHO C[NH+](C)[C@@H]1[C@H]2CN(CCC3CCOCC3)C[C@H]21 ZINC000931277957 640130728 /nfs/dbraw/zinc/13/07/28/640130728.db2.gz SUMRDHIKWSJQMA-WDNDVIMCSA-N 1 3 238.375 1.295 20 0 BDADHO COC[C@H](C)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931312726 640141323 /nfs/dbraw/zinc/14/13/23/640141323.db2.gz YVCKSSFLFOAMOV-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO COC[C@H](C)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931312726 640141327 /nfs/dbraw/zinc/14/13/27/640141327.db2.gz YVCKSSFLFOAMOV-RWMBFGLXSA-N 1 3 226.364 1.295 20 0 BDADHO CCOCCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310989 640146891 /nfs/dbraw/zinc/14/68/91/640146891.db2.gz NEILWTZPHGLHCV-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CN(C)C1(C)CC[NH+](CC2CCOCC2)CC1 ZINC000931350545 640163359 /nfs/dbraw/zinc/16/33/59/640163359.db2.gz NZSTYSZRXUOBDW-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH+](C)C1(C)CCN(CC2CCOCC2)CC1 ZINC000931350545 640163367 /nfs/dbraw/zinc/16/33/67/640163367.db2.gz NZSTYSZRXUOBDW-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@H](C)[NH+]1CCC(C)(N(C)C)CC1 ZINC000931351869 640167446 /nfs/dbraw/zinc/16/74/46/640167446.db2.gz WDYHUQMVFSIACA-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@H](CO)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000931685064 640314935 /nfs/dbraw/zinc/31/49/35/640314935.db2.gz YICZWJQSWCUVPH-CHWSQXEVSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@]1(CNC[C@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862864 641102013 /nfs/dbraw/zinc/10/20/13/641102013.db2.gz LTTXGWPKMBSDAC-CHWSQXEVSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@H](C[NH2+][C@H]1COCC1(C)C)CN(C)C ZINC000312991152 641173305 /nfs/dbraw/zinc/17/33/05/641173305.db2.gz CRDTTXWVFQHORN-MNOVXSKESA-N 1 3 214.353 1.199 20 0 BDADHO CCCN(CCN(C)C)C(=O)CCCCC[NH3+] ZINC000041680250 641545828 /nfs/dbraw/zinc/54/58/28/641545828.db2.gz RGQZFPZNUHJIIX-UHFFFAOYSA-N 1 3 243.395 1.306 20 0 BDADHO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(N)n1 ZINC000049390771 641717433 /nfs/dbraw/zinc/71/74/33/641717433.db2.gz PSGNQFLBBHTNJO-NSHDSACASA-N 1 3 249.362 1.509 20 0 BDADHO Cc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(N)n1 ZINC000049390771 641717437 /nfs/dbraw/zinc/71/74/37/641717437.db2.gz PSGNQFLBBHTNJO-NSHDSACASA-N 1 3 249.362 1.509 20 0 BDADHO CC[NH+](CC)[C@@H](C)CNc1cc(C)nc(N)n1 ZINC000917062811 642000229 /nfs/dbraw/zinc/00/02/29/642000229.db2.gz PUQZTGUUPSLZKC-JTQLQIEISA-N 1 3 237.351 1.509 20 0 BDADHO CC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCOCC1 ZINC000233029221 642646473 /nfs/dbraw/zinc/64/64/73/642646473.db2.gz LTGBCOGHUGUHTB-NEPJUHHUSA-N 1 3 226.364 1.520 20 0 BDADHO Cc1cc(C[NH2+][C@@](C)(CN)C(C)C)c(C)nn1 ZINC000306087229 643291404 /nfs/dbraw/zinc/29/14/04/643291404.db2.gz HFTJILGLAOCPCQ-ZDUSSCGKSA-N 1 3 236.363 1.556 20 0 BDADHO C[C@H](CN[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070968035 643399647 /nfs/dbraw/zinc/39/96/47/643399647.db2.gz IPNRMISSQDRMIW-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC1)CN1CCCCC1 ZINC000070968035 643399654 /nfs/dbraw/zinc/39/96/54/643399654.db2.gz IPNRMISSQDRMIW-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO COCCN(CCC[NH2+]C1CC1)CC(C)C ZINC000042370638 643506840 /nfs/dbraw/zinc/50/68/40/643506840.db2.gz HIVJKEQLFHNPMJ-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO COCC[N@H+](CCCNC1CC1)CC(C)C ZINC000042370638 643506849 /nfs/dbraw/zinc/50/68/49/643506849.db2.gz HIVJKEQLFHNPMJ-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO COCC[N@@H+](CCCNC1CC1)CC(C)C ZINC000042370638 643506855 /nfs/dbraw/zinc/50/68/55/643506855.db2.gz HIVJKEQLFHNPMJ-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO CCO[C@H]1C[C@H](NCC[NH3+])C12CCCCC2 ZINC000083532411 643583732 /nfs/dbraw/zinc/58/37/32/643583732.db2.gz LGBVAXGNERNNQC-RYUDHWBXSA-N 1 3 226.364 1.663 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccsc1 ZINC000084221816 643651185 /nfs/dbraw/zinc/65/11/85/643651185.db2.gz BMEHSTKLWRZWMZ-MNOVXSKESA-N 1 3 210.346 1.965 20 0 BDADHO CCCCCC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923281916 644314425 /nfs/dbraw/zinc/31/44/25/644314425.db2.gz JJEZVCWWSNXJMG-KBPBESRZSA-N 1 3 242.407 1.988 20 0 BDADHO CCOCC[C@@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000923296256 644335874 /nfs/dbraw/zinc/33/58/74/644335874.db2.gz DPGSWWHIONYWAR-CHWSQXEVSA-N 1 3 246.395 1.079 20 0 BDADHO CN(CCC[NH2+]C1CC1)CCC1CCOCC1 ZINC000923313332 644341084 /nfs/dbraw/zinc/34/10/84/644341084.db2.gz FIQYXOKENUBUBB-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@H+](CCCNC1CC1)CCC1CCOCC1 ZINC000923313332 644341089 /nfs/dbraw/zinc/34/10/89/644341089.db2.gz FIQYXOKENUBUBB-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@@H+](CCCNC1CC1)CCC1CCOCC1 ZINC000923313332 644341096 /nfs/dbraw/zinc/34/10/96/644341096.db2.gz FIQYXOKENUBUBB-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@@H](NC(CN)C[NH3+])c1ccc(F)cc1F ZINC000923352306 644368811 /nfs/dbraw/zinc/36/88/11/644368811.db2.gz ULFIVVOZTBSVQB-GFCCVEGCSA-N 1 3 243.301 1.292 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000923355806 644371658 /nfs/dbraw/zinc/37/16/58/644371658.db2.gz OGIAGOAKHYNXBF-HUUCEWRRSA-N 1 3 248.370 1.261 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1N ZINC000923365004 644374741 /nfs/dbraw/zinc/37/47/41/644374741.db2.gz BWLXAWGXSLDHSM-SNPRPXQTSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@H]1N ZINC000923365004 644374751 /nfs/dbraw/zinc/37/47/51/644374751.db2.gz BWLXAWGXSLDHSM-SNPRPXQTSA-N 1 3 248.370 1.259 20 0 BDADHO CN(C[C@H](O)CCc1ccccc1)C1CC([NH3+])C1 ZINC000923361637 644386480 /nfs/dbraw/zinc/38/64/80/644386480.db2.gz JLCOTGSFWGHCHO-YMAMQOFZSA-N 1 3 248.370 1.402 20 0 BDADHO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000923380723 644394415 /nfs/dbraw/zinc/39/44/15/644394415.db2.gz CQWCVMMTZRTYQL-RBSFLKMASA-N 1 3 248.370 1.888 20 0 BDADHO CC1(C)C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1N ZINC000923431866 644425465 /nfs/dbraw/zinc/42/54/65/644425465.db2.gz YAPMXWJSJTYUTC-KGLIPLIRSA-N 1 3 248.370 1.259 20 0 BDADHO CC1(C)C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1N ZINC000923431866 644425468 /nfs/dbraw/zinc/42/54/68/644425468.db2.gz YAPMXWJSJTYUTC-KGLIPLIRSA-N 1 3 248.370 1.259 20 0 BDADHO Cc1cnc([C@H](C)N2CC[C@@H](CC[NH3+])C2)o1 ZINC000923482236 644458792 /nfs/dbraw/zinc/45/87/92/644458792.db2.gz XVWXWEGMZCIVTJ-WDEREUQCSA-N 1 3 223.320 1.715 20 0 BDADHO CCc1nc([C@@H](C)N2CC[C@H](CC[NH3+])C2)n[nH]1 ZINC000923482198 644460112 /nfs/dbraw/zinc/46/01/12/644460112.db2.gz XPRJIAOCXGEUHO-ZJUUUORDSA-N 1 3 237.351 1.099 20 0 BDADHO CCc1nocc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495162 644461203 /nfs/dbraw/zinc/46/12/03/644461203.db2.gz UQSFFYIFNFYUEG-MNOVXSKESA-N 1 3 237.347 1.654 20 0 BDADHO Cc1nocc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923492926 644466992 /nfs/dbraw/zinc/46/69/92/644466992.db2.gz ZMMCLKNNUKLUJP-GXSJLCMTSA-N 1 3 223.320 1.400 20 0 BDADHO COc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089149833 644536341 /nfs/dbraw/zinc/53/63/41/644536341.db2.gz QUBQNRYGLJNKQD-OCCSQVGLSA-N 1 3 234.343 1.912 20 0 BDADHO COCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250162376 644748315 /nfs/dbraw/zinc/74/83/15/644748315.db2.gz FFWZXGRTPWKHJY-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](CCC(C)C)CC1 ZINC000926701967 645367835 /nfs/dbraw/zinc/36/78/35/645367835.db2.gz NXSHAOXZDGHOPB-CQSZACIVSA-N 1 3 242.407 1.857 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccccn1 ZINC000924534916 646052262 /nfs/dbraw/zinc/05/22/62/646052262.db2.gz JEMKBEPHHBXHDS-NNQSOWQGSA-N 1 3 245.370 1.554 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCO1 ZINC000924541022 646061919 /nfs/dbraw/zinc/06/19/19/646061919.db2.gz AGSCJIWISZFGCM-DAAZQVBGSA-N 1 3 224.348 1.095 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CC1(C)C ZINC000925392116 646255605 /nfs/dbraw/zinc/25/56/05/646255605.db2.gz CTVWMBKWEHBMHY-DAAZQVBGSA-N 1 3 222.376 1.962 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000925475517 646290229 /nfs/dbraw/zinc/29/02/29/646290229.db2.gz UZGXNNUIONDVPQ-DGCLKSJQSA-N 1 3 236.363 1.312 20 0 BDADHO Cc1nccn1CCCN[C@H]1CC[NH2+]C1(C)C ZINC000925476627 646292883 /nfs/dbraw/zinc/29/28/83/646292883.db2.gz XXRLTBLOMLHGNH-LBPRGKRZSA-N 1 3 236.363 1.312 20 0 BDADHO CC1(C)[C@H]([NH2+]C2CCOCC2)[C@@H]2CCCN[C@@H]21 ZINC000925483694 646295577 /nfs/dbraw/zinc/29/55/77/646295577.db2.gz XFKRWFKKADQEQV-FRRDWIJNSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]([NH3+])[C@@H](N[C@@H]1CCN(C)C1)c1ccccc1 ZINC000925488930 646299371 /nfs/dbraw/zinc/29/93/71/646299371.db2.gz WJRCIFVWELWFGT-IACUBPJLSA-N 1 3 233.359 1.369 20 0 BDADHO CCCC[C@H](CC)CN[C@H]1C[NH2+]CCOC1 ZINC000925500170 646303131 /nfs/dbraw/zinc/30/31/31/646303131.db2.gz AKLXZZQNNPNQKA-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H](O)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925499032 646304163 /nfs/dbraw/zinc/30/41/63/646304163.db2.gz LRSMJBRUWMAUNR-WISYIIOYSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@@H](O)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925499032 646304164 /nfs/dbraw/zinc/30/41/64/646304164.db2.gz LRSMJBRUWMAUNR-WISYIIOYSA-N 1 3 226.364 1.124 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN([C@H](CC)CO)C1 ZINC000929777110 646305805 /nfs/dbraw/zinc/30/58/05/646305805.db2.gz AIENVEDEIDPKKG-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN([C@H](CC)CO)C1 ZINC000929777110 646305810 /nfs/dbraw/zinc/30/58/10/646305810.db2.gz AIENVEDEIDPKKG-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)CN1C1CC1 ZINC000925544279 646323941 /nfs/dbraw/zinc/32/39/41/646323941.db2.gz ZBDDQGOTZYMHOB-ZMJPVWNMSA-N 1 3 249.402 1.471 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925553424 646329482 /nfs/dbraw/zinc/32/94/82/646329482.db2.gz RHYXSSPCLPPLBQ-WXHSDQCUSA-N 1 3 237.391 1.199 20 0 BDADHO Cc1noc(C)c1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925556930 646334032 /nfs/dbraw/zinc/33/40/32/646334032.db2.gz NACBIUVQRWNJHH-OLZOCXBDSA-N 1 3 249.358 1.693 20 0 BDADHO CC[C@H](CO)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000929847192 646358504 /nfs/dbraw/zinc/35/85/04/646358504.db2.gz LUYRGRCWVXRWIU-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](CO)[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000929847192 646358507 /nfs/dbraw/zinc/35/85/07/646358507.db2.gz LUYRGRCWVXRWIU-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CCC(O)(CC)CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925650194 646390186 /nfs/dbraw/zinc/39/01/86/646390186.db2.gz RXNTVFVFORAOCM-RYUDHWBXSA-N 1 3 240.391 1.787 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925650193 646390543 /nfs/dbraw/zinc/39/05/43/646390543.db2.gz RXNTVFVFORAOCM-NWDGAFQWSA-N 1 3 240.391 1.787 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCOC2CC2)[C@@H](C)C1 ZINC000929998098 646390955 /nfs/dbraw/zinc/39/09/55/646390955.db2.gz BRKIODGYLBLTSR-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCOC2CC2)[C@@H](C)C1 ZINC000929998098 646390958 /nfs/dbraw/zinc/39/09/58/646390958.db2.gz BRKIODGYLBLTSR-GXTWGEPZSA-N 1 3 240.391 1.828 20 0 BDADHO OC1CC(CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925651671 646391549 /nfs/dbraw/zinc/39/15/49/646391549.db2.gz IYGXCMRLZRRHCU-MCIGGMRASA-N 1 3 224.348 1.022 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925662013 646396765 /nfs/dbraw/zinc/39/67/65/646396765.db2.gz GAEVMCWRBPYOMN-WOPDTQHZSA-N 1 3 212.337 1.001 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@@H]2CCCOC2)C12CCC2 ZINC000925669509 646400349 /nfs/dbraw/zinc/40/03/49/646400349.db2.gz UWHFAFOSQSTVLJ-OUAUKWLOSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)C12CCC2 ZINC000925669509 646400351 /nfs/dbraw/zinc/40/03/51/646400351.db2.gz UWHFAFOSQSTVLJ-OUAUKWLOSA-N 1 3 210.321 1.025 20 0 BDADHO CC[C@H](N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686858 646413573 /nfs/dbraw/zinc/41/35/73/646413573.db2.gz YRMQCLRMMOUQRV-AXFHLTTASA-N 1 3 241.379 1.007 20 0 BDADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@H]1C[C@H]1C1CC1 ZINC000925688597 646414790 /nfs/dbraw/zinc/41/47/90/646414790.db2.gz FFPJAXGXGKRPED-RWMBFGLXSA-N 1 3 220.360 1.907 20 0 BDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccnnc1 ZINC000925702474 646427962 /nfs/dbraw/zinc/42/79/62/646427962.db2.gz ADAGHMJFIULBEV-NSHDSACASA-N 1 3 232.331 1.389 20 0 BDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccnnc1 ZINC000925702474 646427967 /nfs/dbraw/zinc/42/79/67/646427967.db2.gz ADAGHMJFIULBEV-NSHDSACASA-N 1 3 232.331 1.389 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCO1 ZINC000925781584 646477111 /nfs/dbraw/zinc/47/71/11/646477111.db2.gz IPJUMMLGFYJGSW-DCAQKATOSA-N 1 3 248.317 1.388 20 0 BDADHO C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925796048 646487452 /nfs/dbraw/zinc/48/74/52/646487452.db2.gz JRTDSSIESWXKJW-GRYCIOLGSA-N 1 3 236.363 1.316 20 0 BDADHO CCOC[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840898 646506682 /nfs/dbraw/zinc/50/66/82/646506682.db2.gz DELKGVBNRGFOGD-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CCOCCOCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925875326 646526395 /nfs/dbraw/zinc/52/63/95/646526395.db2.gz QUSYGKUAOXXFJO-QWHCGFSZSA-N 1 3 244.379 1.017 20 0 BDADHO C[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1cscn1 ZINC000925881778 646531024 /nfs/dbraw/zinc/53/10/24/646531024.db2.gz GJSRVJRXWXKSLD-BBBLOLIVSA-N 1 3 225.361 1.921 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCOC1 ZINC000926142649 646584424 /nfs/dbraw/zinc/58/44/24/646584424.db2.gz PCXJCROFNBGKFR-ICIURTGMSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@H](NCCOCC[NH+](C)C)c1ccns1 ZINC000926255530 646606108 /nfs/dbraw/zinc/60/61/08/646606108.db2.gz RRBOHSSCVKATTM-JTQLQIEISA-N 1 3 243.376 1.372 20 0 BDADHO C[C@H](Cc1ccccn1)[NH2+]C[C@H](C)CN(C)C ZINC000926476264 646654117 /nfs/dbraw/zinc/65/41/17/646654117.db2.gz ZGLWVQSJUWDBGG-QWHCGFSZSA-N 1 3 235.375 1.800 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H](C)[C@H](CN)C1)C(C)C ZINC000721963723 711694920 /nfs/dbraw/zinc/69/49/20/711694920.db2.gz LDXYPUIHVWRJTG-MJBXVCDLSA-N 1 3 242.407 1.822 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H](C)[C@H](CN)C1)C(C)C ZINC000721963723 711694923 /nfs/dbraw/zinc/69/49/23/711694923.db2.gz LDXYPUIHVWRJTG-MJBXVCDLSA-N 1 3 242.407 1.822 20 0 BDADHO CSC1CC([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000706775008 712155224 /nfs/dbraw/zinc/15/52/24/712155224.db2.gz JCPUTZYOXKDGCS-KPPDAEKUSA-N 1 3 216.394 1.668 20 0 BDADHO CC(C)[C@@H]1CN(CCCCCC[NH3+])CCO1 ZINC000708949966 712203497 /nfs/dbraw/zinc/20/34/97/712203497.db2.gz FJHCQUONPSERIT-ZDUSSCGKSA-N 1 3 228.380 1.862 20 0 BDADHO CC(C)N1CCC([NH2+]C[C@@H]2CCN2C)CC1 ZINC000712555255 712445102 /nfs/dbraw/zinc/44/51/02/712445102.db2.gz FLNNROMUGQBREA-ZDUSSCGKSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](Cc1ccco1)NC1CC[NH2+]CC1 ZINC000038041069 712801435 /nfs/dbraw/zinc/80/14/35/712801435.db2.gz GTQHKAWPDKQWTP-JTQLQIEISA-N 1 3 208.305 1.552 20 0 BDADHO C[C@H](CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000724234206 710738167 /nfs/dbraw/zinc/73/81/67/710738167.db2.gz VTNFMTNMFMPIKP-NDBYEHHHSA-N 1 3 228.380 1.872 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](N)C(C)(C)C2)O1 ZINC000387948579 711049861 /nfs/dbraw/zinc/04/98/61/711049861.db2.gz AKLCZQMRTDUAMI-GMTAPVOTSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](N)C(C)(C)C2)O1 ZINC000387948579 711049866 /nfs/dbraw/zinc/04/98/66/711049866.db2.gz AKLCZQMRTDUAMI-GMTAPVOTSA-N 1 3 212.337 1.223 20 0 BDADHO OCCCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000390765898 711133772 /nfs/dbraw/zinc/13/37/72/711133772.db2.gz QNHKCMDPLYGKOR-CHWSQXEVSA-N 1 3 226.364 1.080 20 0 BDADHO O=c1cc(CNC2CC[NH+](C3CC3)CC2)cc[nH]1 ZINC000392770277 711152618 /nfs/dbraw/zinc/15/26/18/711152618.db2.gz VWIMCVRYCRLPRM-UHFFFAOYSA-N 1 3 247.342 1.504 20 0 BDADHO C[C@@H](NCCCCCCO)[C@H]1CCCC[NH2+]1 ZINC000395159042 711203174 /nfs/dbraw/zinc/20/31/74/711203174.db2.gz PSNFGWYXKJVIAF-CHWSQXEVSA-N 1 3 228.380 1.659 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@H](CO)C1 ZINC000396570269 711355073 /nfs/dbraw/zinc/35/50/73/711355073.db2.gz AJWPNBWJWKPXCO-RVMXOQNASA-N 1 3 226.364 1.268 20 0 BDADHO CCOCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396579215 711356623 /nfs/dbraw/zinc/35/66/23/711356623.db2.gz ONUPWWFJCMVXKD-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCOC(F)F ZINC000398128808 711401502 /nfs/dbraw/zinc/40/15/02/711401502.db2.gz IQORTGBKYPWSBY-MRVPVSSYSA-N 1 3 222.279 1.203 20 0 BDADHO CCn1nccc1CN1CC[C@@H](CC[NH3+])C1 ZINC000723711656 711535621 /nfs/dbraw/zinc/53/56/21/711535621.db2.gz DWXQHBNHJRJMJU-LLVKDONJSA-N 1 3 222.336 1.074 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313147690 711714118 /nfs/dbraw/zinc/71/41/18/711714118.db2.gz SVKKGPINQDGLAT-RYUDHWBXSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@@H]([NH3+])[C@@H](NC[C@H]1CCCN1C)c1ccccc1 ZINC000925721173 711715735 /nfs/dbraw/zinc/71/57/35/711715735.db2.gz AACJZCUQYCLISH-BPLDGKMQSA-N 1 3 247.386 1.759 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCc2ccc3c[nH]nc3c2)C1 ZINC000334847924 711718973 /nfs/dbraw/zinc/71/89/73/711718973.db2.gz YELZGBNHXCLKQC-STQMWFEESA-N 1 3 244.342 1.922 20 0 BDADHO COC[C@H](C[NH+]1CCC(N)CC1)C(C)C ZINC000721916486 711919016 /nfs/dbraw/zinc/91/90/16/711919016.db2.gz XPCZCUBYAUXDOL-NSHDSACASA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@H](CN1CCC([NH3+])CC1)C(C)C ZINC000721916486 711919018 /nfs/dbraw/zinc/91/90/18/711919018.db2.gz XPCZCUBYAUXDOL-NSHDSACASA-N 1 3 214.353 1.328 20 0 BDADHO COCCN(CCF)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000700384335 711991642 /nfs/dbraw/zinc/99/16/42/711991642.db2.gz GHHDPTDSMTWNQT-RYUDHWBXSA-N 1 3 232.343 1.292 20 0 BDADHO C[C@H](CCN[C@H]1C[C@@H](C)O[C@H]1C)[NH+](C)C ZINC000700468965 711994004 /nfs/dbraw/zinc/99/40/04/711994004.db2.gz IUQJKAFLXGQRMC-WYUUTHIRSA-N 1 3 214.353 1.482 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000701017740 712011577 /nfs/dbraw/zinc/01/15/77/712011577.db2.gz QMJYEKWIDHGKDH-HDLKOFKZSA-N 1 3 238.375 1.658 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000701017744 712012056 /nfs/dbraw/zinc/01/20/56/712012056.db2.gz QMJYEKWIDHGKDH-LSUSWQKBSA-N 1 3 238.375 1.658 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)c1ccnc(CO)c1 ZINC000705127420 712122635 /nfs/dbraw/zinc/12/26/35/712122635.db2.gz AOGMGVGHVRWISM-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccnc(CO)c1 ZINC000705127420 712122637 /nfs/dbraw/zinc/12/26/37/712122637.db2.gz AOGMGVGHVRWISM-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO C[C@H](O)CCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705667215 712134928 /nfs/dbraw/zinc/13/49/28/712134928.db2.gz IKKSPOONLWTSAF-MELADBBJSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H](O)CCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705667215 712134930 /nfs/dbraw/zinc/13/49/30/712134930.db2.gz IKKSPOONLWTSAF-MELADBBJSA-N 1 3 240.391 1.421 20 0 BDADHO CC1(C)CO[C@H](CN2CCC[C@H](C[NH3+])C2)C1 ZINC000708332136 712187991 /nfs/dbraw/zinc/18/79/91/712187991.db2.gz PMQHDYGCKXYEMX-NEPJUHHUSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000708697759 712197762 /nfs/dbraw/zinc/19/77/62/712197762.db2.gz VKOIIMGBMYHJSZ-TUAOUCFPSA-N 1 3 226.364 1.389 20 0 BDADHO CC(C)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709407931 712221198 /nfs/dbraw/zinc/22/11/98/712221198.db2.gz QXFMHNQLTSOQNE-ZGVCCVRISA-N 1 3 226.364 1.266 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCCOC1)[NH2+]2 ZINC000709447041 712222159 /nfs/dbraw/zinc/22/21/59/712222159.db2.gz DYCPQVFOXOROTN-MLGHIDQZSA-N 1 3 224.348 1.284 20 0 BDADHO FC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000711443567 712300546 /nfs/dbraw/zinc/30/05/46/712300546.db2.gz MWGHIYCOWGNNQZ-QWRGUYRKSA-N 1 3 200.301 1.277 20 0 BDADHO CCc1cc(NC[C@@H]2CCN2C)cc[nH+]1 ZINC000712592967 712435549 /nfs/dbraw/zinc/43/55/49/712435549.db2.gz VFYXBNKWTREMAJ-LBPRGKRZSA-N 1 3 205.305 1.182 20 0 BDADHO C([C@H]1CCCCO1)[N@@H+]1CCNCCC12CCC2 ZINC000713215134 712455205 /nfs/dbraw/zinc/45/52/05/712455205.db2.gz FYZUYFQDFXNQPN-CYBMUJFWSA-N 1 3 238.375 1.774 20 0 BDADHO C([C@H]1CCCCO1)[N@H+]1CCNCCC12CCC2 ZINC000713215134 712455206 /nfs/dbraw/zinc/45/52/06/712455206.db2.gz FYZUYFQDFXNQPN-CYBMUJFWSA-N 1 3 238.375 1.774 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714797576 712498569 /nfs/dbraw/zinc/49/85/69/712498569.db2.gz FOYAATJFVGQTIS-CBBWQLFWSA-N 1 3 234.387 1.964 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203542 712513836 /nfs/dbraw/zinc/51/38/36/712513836.db2.gz DXJRFMCURKLRJZ-OLZOCXBDSA-N 1 3 249.358 1.750 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000715291467 712515904 /nfs/dbraw/zinc/51/59/04/712515904.db2.gz IJTUSWLADMRTCI-YNEHKIRRSA-N 1 3 226.364 1.220 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715567460 712528549 /nfs/dbraw/zinc/52/85/49/712528549.db2.gz DZZHXCYAXUMNLE-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715567460 712528551 /nfs/dbraw/zinc/52/85/51/712528551.db2.gz DZZHXCYAXUMNLE-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715562829 712528667 /nfs/dbraw/zinc/52/86/67/712528667.db2.gz RKBPVHXUYSWXLK-NDBYEHHHSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562829 712528670 /nfs/dbraw/zinc/52/86/70/712528670.db2.gz RKBPVHXUYSWXLK-NDBYEHHHSA-N 1 3 226.364 1.484 20 0 BDADHO CC1(CC[NH2+][C@H]2CCCC[C@H]2CN)OCCO1 ZINC000715926651 712543036 /nfs/dbraw/zinc/54/30/36/712543036.db2.gz KNPNMZYROSQMQB-RYUDHWBXSA-N 1 3 242.363 1.247 20 0 BDADHO Cc1[nH]nc(CNC2CC[NH+](C3CC3)CC2)c1C ZINC000716460527 712562925 /nfs/dbraw/zinc/56/29/25/712562925.db2.gz FDYNKQAOHCGQHX-UHFFFAOYSA-N 1 3 248.374 1.743 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000379817536 712611641 /nfs/dbraw/zinc/61/16/41/712611641.db2.gz RZHOVHSSWDRCFV-UTLUCORTSA-N 1 3 232.418 1.304 20 0 BDADHO C1=CCC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000717355921 712650501 /nfs/dbraw/zinc/65/05/01/712650501.db2.gz KMHFPGSXWMWZLR-MEBFFEOJSA-N 1 3 218.344 1.539 20 0 BDADHO C[C@@H](NCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713826 712749719 /nfs/dbraw/zinc/74/97/19/712749719.db2.gz WCXHREJUNANDKN-SNVBAGLBSA-N 1 3 220.316 1.621 20 0 BDADHO CC[C@H](O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918200 712787006 /nfs/dbraw/zinc/78/70/06/712787006.db2.gz AEQRISFKGSMSQF-AVGNSLFASA-N 1 3 226.364 1.221 20 0 BDADHO CN(C[C@@]1(C)CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250816191 712834914 /nfs/dbraw/zinc/83/49/14/712834914.db2.gz XGDQNLPBMSUFRR-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720875839 712872485 /nfs/dbraw/zinc/87/24/85/712872485.db2.gz XOGANUQSBBYDFX-QNWHQSFQSA-N 1 3 224.348 1.225 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000720875840 712872605 /nfs/dbraw/zinc/87/26/05/712872605.db2.gz XOGANUQSBBYDFX-RNJOBUHISA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1CN(c2cc(N)cc[nH+]2)[C@@H](C)CN1C ZINC001164632161 719149037 /nfs/dbraw/zinc/14/90/37/719149037.db2.gz PXFBQEHTOSRWBC-ZJUUUORDSA-N 1 3 220.320 1.193 20 0 BDADHO C[C@@H]1CN(c2cc(N)cc[nH+]2)[C@H](C)CN1C ZINC001164632158 719149718 /nfs/dbraw/zinc/14/97/18/719149718.db2.gz PXFBQEHTOSRWBC-NXEZZACHSA-N 1 3 220.320 1.193 20 0 BDADHO Cc1cnc(N2C[C@H](C)N(C)C[C@H]2C)c(C[NH3+])c1 ZINC001164633414 719225406 /nfs/dbraw/zinc/22/54/06/719225406.db2.gz DLRKJXDEKNQHQC-NWDGAFQWSA-N 1 3 248.374 1.378 20 0 BDADHO Cc1c[nH+]c(N2C[C@H](C)N(C)C[C@@H]2C)cc1N ZINC001164638110 719229854 /nfs/dbraw/zinc/22/98/54/719229854.db2.gz NFYUKROZCKPCQO-QWRGUYRKSA-N 1 3 234.347 1.501 20 0 BDADHO C[C@@H]1CC[C@H](NCCCn2ccnc2)C[NH2+]1 ZINC000398958838 958457793 /nfs/dbraw/zinc/45/77/93/958457793.db2.gz KNUCZKHGMUJXIK-NEPJUHHUSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1cc(CN2CCC(O)(C[NH3+])CC2)cs1 ZINC000396992870 960429972 /nfs/dbraw/zinc/42/99/72/960429972.db2.gz HLBIHJFVZRYIQS-UHFFFAOYSA-N 1 3 240.372 1.342 20 0 BDADHO CC(C)N(CCCO)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709483041 960621206 /nfs/dbraw/zinc/62/12/06/960621206.db2.gz WWHMVKISNKCESI-FUNVUKJBSA-N 1 3 226.364 1.362 20 0 BDADHO O[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000709489027 960622385 /nfs/dbraw/zinc/62/23/85/960622385.db2.gz GHQPGBWILSPWKO-HNGCFSAESA-N 1 3 224.348 1.116 20 0 BDADHO FC[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000711444119 962707296 /nfs/dbraw/zinc/70/72/96/962707296.db2.gz RMIFIVPSURLFIO-ACJTYDJDSA-N 1 3 226.339 1.951 20 0 BDADHO C[C@H](N)c1nccn1C1CCC([NH+](C)C)CC1 ZINC001168290368 964383178 /nfs/dbraw/zinc/38/31/78/964383178.db2.gz IIUKRIYRKRMSJK-UNXYVOJBSA-N 1 3 236.363 1.948 20 0 BDADHO C[C@H]1CN(C2CCC([NH+](C)C)CC2)CCO1 ZINC001168315338 964425833 /nfs/dbraw/zinc/42/58/33/964425833.db2.gz UWFAVFSEWAXDKU-HIFPTAJRSA-N 1 3 226.364 1.580 20 0 BDADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccccc1 ZINC000200120286 964577684 /nfs/dbraw/zinc/57/76/84/964577684.db2.gz GTQUFYHFZJZKBQ-NSHDSACASA-N 1 3 221.304 1.081 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2cnoc2)CC1 ZINC001205545499 967692362 /nfs/dbraw/zinc/69/23/62/967692362.db2.gz IEZMRSAEURCNMW-LLVKDONJSA-N 1 3 227.283 1.328 20 0 BDADHO CC(=O)[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC001207399404 968748169 /nfs/dbraw/zinc/74/81/69/968748169.db2.gz MPNHFXOPMRCBML-CYBMUJFWSA-N 1 3 224.348 1.239 20 0 BDADHO CC(=O)[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC001207399404 968748177 /nfs/dbraw/zinc/74/81/77/968748177.db2.gz MPNHFXOPMRCBML-CYBMUJFWSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]1CN(CC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001208105755 969004498 /nfs/dbraw/zinc/00/44/98/969004498.db2.gz ZZVCWVXVBWVLRD-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO C[NH+]1CCC(C)(CN2CCCC23COC3)CC1 ZINC001208114085 969007001 /nfs/dbraw/zinc/00/70/01/969007001.db2.gz RATMULKPRYGKFE-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CC(C)C[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253404933 969159061 /nfs/dbraw/zinc/15/90/61/969159061.db2.gz KJGHZRHXLNJVPM-NEPJUHHUSA-N 1 3 230.396 1.760 20 0 BDADHO CC(C)C[C@@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253404933 969159066 /nfs/dbraw/zinc/15/90/66/969159066.db2.gz KJGHZRHXLNJVPM-NEPJUHHUSA-N 1 3 230.396 1.760 20 0 BDADHO C[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1CC1 ZINC001253404896 969159923 /nfs/dbraw/zinc/15/99/23/969159923.db2.gz BQDBWODBDWCFJG-ONGXEEELSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@H](NC[C@H](O)C[NH2+]C(C)(C)C)C1CC1 ZINC001253404896 969159925 /nfs/dbraw/zinc/15/99/25/969159925.db2.gz BQDBWODBDWCFJG-ONGXEEELSA-N 1 3 214.353 1.124 20 0 BDADHO CCCCC[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001253537595 969214786 /nfs/dbraw/zinc/21/47/86/969214786.db2.gz ZUDKURYGLQCOTH-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO CCCCC[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001253537595 969214798 /nfs/dbraw/zinc/21/47/98/969214798.db2.gz ZUDKURYGLQCOTH-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H]1C[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000723472273 969317435 /nfs/dbraw/zinc/31/74/35/969317435.db2.gz YHDAQAKEAQWODJ-WRWGMCAJSA-N 1 3 212.337 1.223 20 0 BDADHO CC(=O)N1CCC([N@@H+](CCCN)C(C)C)CC1 ZINC001254414071 969613252 /nfs/dbraw/zinc/61/32/52/969613252.db2.gz RHPNSXYNUACYBO-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO CC(=O)N1CCC([N@H+](CCCN)C(C)C)CC1 ZINC001254414071 969613259 /nfs/dbraw/zinc/61/32/59/969613259.db2.gz RHPNSXYNUACYBO-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO CN1CCC[C@H]([NH2+]C2CN(C(C)(C)C)C2)CC1 ZINC001254511693 969679803 /nfs/dbraw/zinc/67/98/03/969679803.db2.gz CRQLNRMDMSXQHT-LBPRGKRZSA-N 1 3 239.407 1.543 20 0 BDADHO C[N@@H+]1CCC[C@H](N2CCCOCC2)CC1 ZINC001254516489 969687657 /nfs/dbraw/zinc/68/76/57/969687657.db2.gz NACLXMAXOVDPCO-LBPRGKRZSA-N 1 3 212.337 1.193 20 0 BDADHO C[N@H+]1CCC[C@H](N2CCCOCC2)CC1 ZINC001254516489 969687659 /nfs/dbraw/zinc/68/76/59/969687659.db2.gz NACLXMAXOVDPCO-LBPRGKRZSA-N 1 3 212.337 1.193 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCCC2(C1)OCCO2 ZINC001169921721 969887958 /nfs/dbraw/zinc/88/79/58/969887958.db2.gz ATRQRKPAPVUERE-RYUDHWBXSA-N 1 3 242.363 1.199 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCCC2(C1)OCCO2 ZINC001169921721 969887960 /nfs/dbraw/zinc/88/79/60/969887960.db2.gz ATRQRKPAPVUERE-RYUDHWBXSA-N 1 3 242.363 1.199 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC001255940782 970569094 /nfs/dbraw/zinc/56/90/94/970569094.db2.gz GNEAUQMHUOSJLH-BFHYXJOUSA-N 1 3 242.407 2.000 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1O ZINC001255945938 970577572 /nfs/dbraw/zinc/57/75/72/970577572.db2.gz PWVNQPVTCHGTTE-XQQFMLRXSA-N 1 3 228.380 1.610 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCC[C@@H]1O ZINC001255945938 970577582 /nfs/dbraw/zinc/57/75/82/970577582.db2.gz PWVNQPVTCHGTTE-XQQFMLRXSA-N 1 3 228.380 1.610 20 0 BDADHO CCC[C@@H](CO)[NH2+][C@@H](C)CCN(CC)CC ZINC001255947793 970583717 /nfs/dbraw/zinc/58/37/17/970583717.db2.gz WQCYTAGQWZSYMP-STQMWFEESA-N 1 3 230.396 1.857 20 0 BDADHO CCC[C@@H](CO)N[C@@H](C)CC[NH+](CC)CC ZINC001255947793 970583724 /nfs/dbraw/zinc/58/37/24/970583724.db2.gz WQCYTAGQWZSYMP-STQMWFEESA-N 1 3 230.396 1.857 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@@H](O)C1 ZINC001255946386 970583814 /nfs/dbraw/zinc/58/38/14/970583814.db2.gz UJECYKACHROAJI-SDDRHHMPSA-N 1 3 214.353 1.220 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H](O)CC[C@H]1C ZINC001255956006 970598028 /nfs/dbraw/zinc/59/80/28/970598028.db2.gz FOZBWKRBFPCVJB-HZSPNIEDSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H](O)CC[C@H]1C ZINC001255956006 970598039 /nfs/dbraw/zinc/59/80/39/970598039.db2.gz FOZBWKRBFPCVJB-HZSPNIEDSA-N 1 3 242.407 1.952 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173128146 975039777 /nfs/dbraw/zinc/03/97/77/975039777.db2.gz HJZBFCFFMUKCQE-IUCAKERBSA-N 1 3 225.361 1.185 20 0 BDADHO C[NH+](C)[C@@H]1C[C@@H](NC[C@@H](O)C2CC2)C1(C)C ZINC001335469587 977079638 /nfs/dbraw/zinc/07/96/38/977079638.db2.gz NSQQIWKXBVMAFR-IJLUTSLNSA-N 1 3 226.364 1.076 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC001340917962 979158298 /nfs/dbraw/zinc/15/82/98/979158298.db2.gz ROHWDKYAIUTFCC-UTUOFQBUSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@H](CCC(=O)OC)CN1CCC[C@@H]1C[NH3+] ZINC001236242965 979462009 /nfs/dbraw/zinc/46/20/09/979462009.db2.gz PXMQRLBWWYORHK-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO O[C@H]1CCCC[C@H]1CC[NH2+]C1CCNCC1 ZINC001580885986 981705240 /nfs/dbraw/zinc/70/52/40/981705240.db2.gz UFOLYHYVYCRQID-AAEUAGOBSA-N 1 3 226.364 1.269 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001201478455 983282043 /nfs/dbraw/zinc/28/20/43/983282043.db2.gz KOSUUMNBNGHQKO-BETUJISGSA-N 1 3 210.365 1.916 20 0 BDADHO CCc1n[nH]cc1CN1CCC(F)(C[NH3+])CC1 ZINC001222552906 972564292 /nfs/dbraw/zinc/56/42/92/972564292.db2.gz LCOWLRFZHUXKRQ-UHFFFAOYSA-N 1 3 240.326 1.235 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](N)CC2)C[C@H](C)O1 ZINC001246546508 972643147 /nfs/dbraw/zinc/64/31/47/972643147.db2.gz NAMDGSLLRGTCSN-YVECIDJPSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](N)CC2)C[C@H](C)O1 ZINC001246546508 972643157 /nfs/dbraw/zinc/64/31/57/972643157.db2.gz NAMDGSLLRGTCSN-YVECIDJPSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@@H]1C[C@H](N2CCC(F)(F)[C@H](C[NH3+])C2)CCO1 ZINC001246553607 972751459 /nfs/dbraw/zinc/75/14/59/972751459.db2.gz BNEOQQJGGNXRRC-GMTAPVOTSA-N 1 3 248.317 1.470 20 0 BDADHO CCCCC[C@@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587821 972983091 /nfs/dbraw/zinc/98/30/91/972983091.db2.gz VOZCRQFYGMHNEC-BFHYXJOUSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCC[C@@H](CCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587821 972983103 /nfs/dbraw/zinc/98/31/03/972983103.db2.gz VOZCRQFYGMHNEC-BFHYXJOUSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N2CCNC[C@H](F)C2)CC[NH2+]1 ZINC001246598847 973020800 /nfs/dbraw/zinc/02/08/00/973020800.db2.gz OXLCUHZLRTUWQC-AVGNSLFASA-N 1 3 243.370 1.006 20 0 BDADHO C[C@@H]1CN(CC2Cc3ccccc3C2)C[C@H]1[NH3+] ZINC001206053071 970808847 /nfs/dbraw/zinc/80/88/47/970808847.db2.gz HXSXNDBYNUDWMG-IAQYHMDHSA-N 1 3 230.355 1.680 20 0 BDADHO C[C@H](N)c1nccn1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256612435 970879082 /nfs/dbraw/zinc/87/90/82/970879082.db2.gz GGHLZEQTCVLAKE-WSMDXJOWSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1nccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256612435 970879085 /nfs/dbraw/zinc/87/90/85/970879085.db2.gz GGHLZEQTCVLAKE-WSMDXJOWSA-N 1 3 234.347 1.701 20 0 BDADHO C1[C@H]2CC[C@@H](N[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C[C@@H]12 ZINC000403359930 970919199 /nfs/dbraw/zinc/91/91/99/970919199.db2.gz HIMGUIXIMFZBSA-REECGULKSA-N 1 3 232.371 1.761 20 0 BDADHO C[N@H+](CCF)C1CCC(N2CCOCC2)CC1 ZINC001256700509 970928133 /nfs/dbraw/zinc/92/81/33/970928133.db2.gz ZPUITYMKVNKPPZ-UHFFFAOYSA-N 1 3 244.354 1.531 20 0 BDADHO C[N@@H+](CCF)C1CCC(N2CCOCC2)CC1 ZINC001256700509 970928137 /nfs/dbraw/zinc/92/81/37/970928137.db2.gz ZPUITYMKVNKPPZ-UHFFFAOYSA-N 1 3 244.354 1.531 20 0 BDADHO COC(=O)CC1CCC([NH2+]C2CC(N)C2)CC1 ZINC001256977507 971056808 /nfs/dbraw/zinc/05/68/08/971056808.db2.gz YIEGWPSJVJUDEH-UHFFFAOYSA-N 1 3 240.347 1.188 20 0 BDADHO C[C@H](CN)C[N@H+](C)C1C[C@@H](C)O[C@H](C)C1 ZINC001257082541 971094424 /nfs/dbraw/zinc/09/44/24/971094424.db2.gz AAWGQDFKYQIHKP-GMTAPVOTSA-N 1 3 214.353 1.469 20 0 BDADHO C[C@H](CN)C[N@@H+](C)C1C[C@@H](C)O[C@H](C)C1 ZINC001257082541 971094433 /nfs/dbraw/zinc/09/44/33/971094433.db2.gz AAWGQDFKYQIHKP-GMTAPVOTSA-N 1 3 214.353 1.469 20 0 BDADHO CCN(CCOC)C1CC[NH+](C(C)C)CC1 ZINC001257213303 971127128 /nfs/dbraw/zinc/12/71/28/971127128.db2.gz KPLBXGMCUKWSRI-UHFFFAOYSA-N 1 3 228.380 1.828 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCC2(O)CCC2)C12CCC2 ZINC000405299739 971231705 /nfs/dbraw/zinc/23/17/05/971231705.db2.gz ITVJWORILYGEBO-GHMZBOCLSA-N 1 3 224.348 1.151 20 0 BDADHO CC[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405316512 971232268 /nfs/dbraw/zinc/23/22/68/971232268.db2.gz RRYGEXINEUJMOP-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)OC ZINC000405316512 971232277 /nfs/dbraw/zinc/23/22/77/971232277.db2.gz RRYGEXINEUJMOP-MXWKQRLJSA-N 1 3 212.337 1.271 20 0 BDADHO CC(C)(O)CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313193 971233158 /nfs/dbraw/zinc/23/31/58/971233158.db2.gz PZROGHCTWUJDKN-ZJUUUORDSA-N 1 3 212.337 1.007 20 0 BDADHO CC(C)(O)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313184 971233757 /nfs/dbraw/zinc/23/37/57/971233757.db2.gz PZROGHCTWUJDKN-NXEZZACHSA-N 1 3 212.337 1.007 20 0 BDADHO CS[C@H](C)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405318366 971233814 /nfs/dbraw/zinc/23/38/14/971233814.db2.gz QFGPJFPRVKGKJV-KXUCPTDWSA-N 1 3 214.378 1.597 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCN2CC=CCC2)C12CCC2 ZINC000405335840 971238721 /nfs/dbraw/zinc/23/87/21/971238721.db2.gz ZFTAWSBLVQOFEY-STQMWFEESA-N 1 3 235.375 1.108 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCN2CC=CCC2)C12CCC2 ZINC000405335833 971237773 /nfs/dbraw/zinc/23/77/73/971237773.db2.gz ZFTAWSBLVQOFEY-CHWSQXEVSA-N 1 3 235.375 1.108 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCOC2CCCC2)C12CCC2 ZINC000405357501 971240451 /nfs/dbraw/zinc/24/04/51/971240451.db2.gz RUIYPIBOELIZNP-OLZOCXBDSA-N 1 3 238.375 1.805 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405378829 971249057 /nfs/dbraw/zinc/24/90/57/971249057.db2.gz CGSYAVGMFXXYSM-SRVKXCTJSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405376576 971250019 /nfs/dbraw/zinc/25/00/19/971250019.db2.gz BNXRSQTVNUZZGN-SRVKXCTJSA-N 1 3 224.348 1.007 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405388012 971250483 /nfs/dbraw/zinc/25/04/83/971250483.db2.gz FPOXILWSTAIDBR-WDEREUQCSA-N 1 3 226.364 1.397 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCc2ccc(O)cc2)C12CCC2 ZINC000405536156 971263846 /nfs/dbraw/zinc/26/38/46/971263846.db2.gz ZQHPBMDKYQXZFB-KBPBESRZSA-N 1 3 246.354 1.794 20 0 BDADHO NC[C@H]([NH3+])Cc1nnc(CC2CCCCC2)o1 ZINC001217727569 971367881 /nfs/dbraw/zinc/36/78/81/971367881.db2.gz ZIZMQEISIKSQAD-SNVBAGLBSA-N 1 3 238.335 1.021 20 0 BDADHO CCCCCCc1nnc(C[C@@H]([NH3+])CN)o1 ZINC001217727557 971369990 /nfs/dbraw/zinc/36/99/90/971369990.db2.gz YUZBFRPPGFPMCC-SECBINFHSA-N 1 3 226.324 1.021 20 0 BDADHO C[C@@H](O)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171617649 974112428 /nfs/dbraw/zinc/11/24/28/974112428.db2.gz PDEITKIJJROHJJ-SNVBAGLBSA-N 1 3 228.380 1.608 20 0 BDADHO C[C@H](O)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617648 974114603 /nfs/dbraw/zinc/11/46/03/974114603.db2.gz PDEITKIJJROHJJ-JTQLQIEISA-N 1 3 228.380 1.608 20 0 BDADHO C[C@H](O)C[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171617648 974114609 /nfs/dbraw/zinc/11/46/09/974114609.db2.gz PDEITKIJJROHJJ-JTQLQIEISA-N 1 3 228.380 1.608 20 0 BDADHO CC[C@H](CO)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171619231 974115208 /nfs/dbraw/zinc/11/52/08/974115208.db2.gz ZNICBWRBBYECJX-LLVKDONJSA-N 1 3 242.407 1.998 20 0 BDADHO C[C@H]1[NH2+]C[C@@H]1Oc1cccc2c1CNC2 ZINC001218384109 971761160 /nfs/dbraw/zinc/76/11/60/971761160.db2.gz CIFYLGQBTBBBJX-PELKAZGASA-N 1 3 204.273 1.029 20 0 BDADHO C[C@@H]1c2ccc(N[C@@H](N)CCC[NH3+])cc2NC1=O ZINC001170899414 972058518 /nfs/dbraw/zinc/05/85/18/972058518.db2.gz JWFAOFDCZGPFJF-PRHODGIISA-N 1 3 248.330 1.178 20 0 BDADHO N[C@H](CCC[NH3+])Nc1cccc2c1CCN2 ZINC001170901080 972070972 /nfs/dbraw/zinc/07/09/72/972070972.db2.gz VPCFHHFQKAMIIM-LBPRGKRZSA-N 1 3 220.320 1.090 20 0 BDADHO Cc1ccc(N(C)C)c(N[C@H](N)CCC[NH3+])c1 ZINC001170902883 972073398 /nfs/dbraw/zinc/07/33/98/972073398.db2.gz GTDJBAWERKRVGY-ZDUSSCGKSA-N 1 3 236.363 1.497 20 0 BDADHO Cc1cc(N[C@@H](N)CCC[NH3+])cc2cc[nH]c21 ZINC001170902527 972078619 /nfs/dbraw/zinc/07/86/19/972078619.db2.gz FLHRLXMIKGKHDQ-GFCCVEGCSA-N 1 3 232.331 1.912 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](F)CC2)CCN1 ZINC001246090487 972143161 /nfs/dbraw/zinc/14/31/61/972143161.db2.gz YBQVRBWLHOAEFF-NNYUYHANSA-N 1 3 214.328 1.997 20 0 BDADHO CC[C@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220112897 972159519 /nfs/dbraw/zinc/15/95/19/972159519.db2.gz DIAVMUGLQQJGMP-RYUDHWBXSA-N 1 3 243.395 1.397 20 0 BDADHO CCN1CC[C@H](NC[C@@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246105161 972170580 /nfs/dbraw/zinc/17/05/80/972170580.db2.gz MLKNLNPQOWKMRU-AVGNSLFASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1CC[C@@H](CNC2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107763 972172128 /nfs/dbraw/zinc/17/21/28/972172128.db2.gz UNTDHBSKJAVWDJ-YJBUHQLJSA-N 1 3 236.359 1.450 20 0 BDADHO CCOC(=O)CCCC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246185478 972210244 /nfs/dbraw/zinc/21/02/44/972210244.db2.gz FCZRXOBYBDACLN-NEPJUHHUSA-N 1 3 242.363 1.450 20 0 BDADHO CCOC(=O)[C@H]1CCC[C@H](NCC[C@H](C)[NH3+])C1 ZINC001246305158 972267462 /nfs/dbraw/zinc/26/74/62/972267462.db2.gz NNOCJSHJGLGDGF-SRVKXCTJSA-N 1 3 242.363 1.435 20 0 BDADHO C[NH+]1CCC2(CN(Cc3cc[nH]c(=O)c3)C2)CC1 ZINC001207123650 958083571 /nfs/dbraw/zinc/08/35/71/958083571.db2.gz VNODYPOOFCHZPC-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@]23CCCOC3)CC[NH2+]1 ZINC001246465288 972339469 /nfs/dbraw/zinc/33/94/69/972339469.db2.gz MEEGETHMIJQWQW-LPWJVIDDSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]23CCCOC3)CCN1 ZINC001246465288 972339475 /nfs/dbraw/zinc/33/94/75/972339475.db2.gz MEEGETHMIJQWQW-LPWJVIDDSA-N 1 3 224.348 1.286 20 0 BDADHO C1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@]12CCCOC2 ZINC001246466454 972342086 /nfs/dbraw/zinc/34/20/86/972342086.db2.gz QSJAYYBKOIMLOX-AEBFUODCSA-N 1 3 236.359 1.428 20 0 BDADHO CC(C)[C@@H](CCO)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399033060 958493722 /nfs/dbraw/zinc/49/37/22/958493722.db2.gz MWOJHBNFDJKCPG-IJLUTSLNSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)CN1 ZINC000399224522 958567421 /nfs/dbraw/zinc/56/74/21/958567421.db2.gz MAMWIHPSLVJQNC-BPLDGKMQSA-N 1 3 248.370 1.320 20 0 BDADHO OCCCN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222154203 972396547 /nfs/dbraw/zinc/39/65/47/972396547.db2.gz IIICUGHKZIRHGC-AWEZNQCLSA-N 1 3 240.391 1.615 20 0 BDADHO CC(C)OCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246530844 972434641 /nfs/dbraw/zinc/43/46/41/972434641.db2.gz OHZZDCHYDNHMRR-VXGBXAGGSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)OCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246530844 972434647 /nfs/dbraw/zinc/43/46/47/972434647.db2.gz OHZZDCHYDNHMRR-VXGBXAGGSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@H](C[C@H](C)O)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925633263 960483638 /nfs/dbraw/zinc/48/36/38/960483638.db2.gz CTTMYWIZPOICRR-RXGFPQBGSA-N 1 3 240.391 1.512 20 0 BDADHO C[C@H](C[C@H](C)O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925633263 960483652 /nfs/dbraw/zinc/48/36/52/960483652.db2.gz CTTMYWIZPOICRR-RXGFPQBGSA-N 1 3 240.391 1.512 20 0 BDADHO C[C@@H]1CN(Cc2c[nH]c3ccncc23)CC[N@@H+]1C ZINC001140805563 960603520 /nfs/dbraw/zinc/60/35/20/960603520.db2.gz BBVWYEYUOODQFF-LLVKDONJSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@@H]1CN(Cc2c[nH]c3ccncc23)CC[N@H+]1C ZINC001140805563 960603527 /nfs/dbraw/zinc/60/35/27/960603527.db2.gz BBVWYEYUOODQFF-LLVKDONJSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(O)CC2)CCN1 ZINC000709492768 960628137 /nfs/dbraw/zinc/62/81/37/960628137.db2.gz CPLOXASMGQDDCM-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(O)CC2)CCN1 ZINC000709492768 960628149 /nfs/dbraw/zinc/62/81/49/960628149.db2.gz CPLOXASMGQDDCM-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO Cc1cc(CN2CCC3(C2)CC[NH+](C)CC3)[nH]n1 ZINC001203081550 960746760 /nfs/dbraw/zinc/74/67/60/960746760.db2.gz BLNZTZZDIKNXDB-UHFFFAOYSA-N 1 3 248.374 1.636 20 0 BDADHO CO[C@@H]1CC[C@@H](C)N(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000687214328 961204400 /nfs/dbraw/zinc/20/44/00/961204400.db2.gz IXAJRMMHBFTJBG-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO Nc1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001155582847 963119006 /nfs/dbraw/zinc/11/90/06/963119006.db2.gz BEUANFNNVWWWBF-UTLUCORTSA-N 1 3 218.304 1.074 20 0 BDADHO CN(C)Cc1ccnc(N(C)C2CC[NH2+]CC2)c1 ZINC001156180358 963277895 /nfs/dbraw/zinc/27/78/95/963277895.db2.gz FBHQPJUWIFRMSR-UHFFFAOYSA-N 1 3 248.374 1.331 20 0 BDADHO C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](N)CCCC[NH3+] ZINC001157451320 963612779 /nfs/dbraw/zinc/61/27/79/963612779.db2.gz SPJIFCRGSUBPIS-TUAOUCFPSA-N 1 3 241.379 1.232 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCCN1c1cc(N(C)C)ccn1 ZINC001157740971 963713910 /nfs/dbraw/zinc/71/39/10/963713910.db2.gz JAVCCNFHCNZFPP-ZYHUDNBSSA-N 1 3 234.347 1.464 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111313 963749364 /nfs/dbraw/zinc/74/93/64/963749364.db2.gz APHGLGONNHDNIP-CRWXNKLISA-N 1 3 238.375 1.437 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCO1 ZINC001168111313 963749367 /nfs/dbraw/zinc/74/93/67/963749367.db2.gz APHGLGONNHDNIP-CRWXNKLISA-N 1 3 238.375 1.437 20 0 BDADHO CCN(c1cc(N)c(C)cn1)[C@H]1CCC[NH2+]C1 ZINC001158205422 963830663 /nfs/dbraw/zinc/83/06/63/963830663.db2.gz QSSQSLILCAELGE-NSHDSACASA-N 1 3 234.347 1.551 20 0 BDADHO CN(C)c1cccc(NCC2CN(C)C2)[nH+]1 ZINC001159216433 964019622 /nfs/dbraw/zinc/01/96/22/964019622.db2.gz VRAGMFJPQCMFNN-UHFFFAOYSA-N 1 3 220.320 1.121 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)CN)C2 ZINC001168245442 964057537 /nfs/dbraw/zinc/05/75/37/964057537.db2.gz YXCUKFQFWTYAMT-GXFFZTMASA-N 1 3 234.343 1.347 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@H]2CCCSC2)CC1 ZINC000725661332 964228081 /nfs/dbraw/zinc/22/80/81/964228081.db2.gz MJYXLKQMIYFGTB-QWRGUYRKSA-N 1 3 214.378 1.695 20 0 BDADHO N[C@H]1CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC000725661332 964228093 /nfs/dbraw/zinc/22/80/93/964228093.db2.gz MJYXLKQMIYFGTB-QWRGUYRKSA-N 1 3 214.378 1.695 20 0 BDADHO Cc1c[nH+]c(Nc2ccc(CN)nc2)cc1N ZINC001160402725 964298497 /nfs/dbraw/zinc/29/84/97/964298497.db2.gz XMXBTYHBVYDZCC-UHFFFAOYSA-N 1 3 229.287 1.570 20 0 BDADHO C[NH+](C)C1CCC(N2CC[C@@H](O)[C@@H](F)C2)CC1 ZINC001168315033 964426638 /nfs/dbraw/zinc/42/66/38/964426638.db2.gz PPMUTMKSWSRNNC-IFWUJCSASA-N 1 3 244.354 1.264 20 0 BDADHO COC(=O)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168358908 964542423 /nfs/dbraw/zinc/54/24/23/964542423.db2.gz XJXUCRCTLXMRRP-UHFFFAOYSA-N 1 3 240.347 1.014 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)N(C)C)C1 ZINC000697910333 964675555 /nfs/dbraw/zinc/67/55/55/964675555.db2.gz SUQWLCYSIBQAJU-RWMBFGLXSA-N 1 3 228.380 1.874 20 0 BDADHO NCc1cn(-c2ccc(C3([NH3+])CCC3)cc2)cn1 ZINC001162304462 964918568 /nfs/dbraw/zinc/91/85/68/964918568.db2.gz SQTSGAXZQMIEMS-UHFFFAOYSA-N 1 3 242.326 1.669 20 0 BDADHO Cc1nc(N[C@H]2C[C@@](C)([NH3+])C2)cc(N(C)C)n1 ZINC001162325212 964932299 /nfs/dbraw/zinc/93/22/99/964932299.db2.gz SISTYEYLBJMRGJ-WVSHTKLVSA-N 1 3 235.335 1.143 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(n2)CNCC3)C1 ZINC001162393957 964951594 /nfs/dbraw/zinc/95/15/94/964951594.db2.gz NXGYIJGNENSYEG-NEPJUHHUSA-N 1 3 246.358 1.409 20 0 BDADHO C[C@@H]1C[C@@H](CNc2ccc3c(n2)CNCC3)C[NH2+]1 ZINC001162552242 965043025 /nfs/dbraw/zinc/04/30/25/965043025.db2.gz ANQSMZFOFGJYJS-GHMZBOCLSA-N 1 3 246.358 1.137 20 0 BDADHO Cc1cc(C[NH3+])nn1-c1ccc(CN(C)C)cn1 ZINC001163979555 965675735 /nfs/dbraw/zinc/67/57/35/965675735.db2.gz CEOVFXGHGDXMBO-UHFFFAOYSA-N 1 3 245.330 1.096 20 0 BDADHO Cc1cnc(N2C[C@@H](C)CC[C@@H]2C[NH3+])cc1N ZINC001164073545 965731698 /nfs/dbraw/zinc/73/16/98/965731698.db2.gz MCNAJOZALGBSPL-GXSJLCMTSA-N 1 3 234.347 1.536 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000699773178 966081835 /nfs/dbraw/zinc/08/18/35/966081835.db2.gz GBCAESTZWRYOFE-HYNSBDGHSA-N 1 3 232.327 1.756 20 0 BDADHO N[C@]12C[C@H]1C[N@H+](Cc1cccc3cc[nH]c31)C2 ZINC001236031256 966248947 /nfs/dbraw/zinc/24/89/47/966248947.db2.gz SKUSREMVGDZPFU-JSGCOSHPSA-N 1 3 227.311 1.701 20 0 BDADHO N[C@]12C[C@H]1C[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC001236031256 966248962 /nfs/dbraw/zinc/24/89/62/966248962.db2.gz SKUSREMVGDZPFU-JSGCOSHPSA-N 1 3 227.311 1.701 20 0 BDADHO CCC1(Nc2ccc(CN(C)C)cn2)C[NH2+]C1 ZINC001168583560 966930615 /nfs/dbraw/zinc/93/06/15/966930615.db2.gz NDZFSCPRVDCQJY-UHFFFAOYSA-N 1 3 234.347 1.307 20 0 BDADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccnc(CN)c1 ZINC001168601798 966969149 /nfs/dbraw/zinc/96/91/49/966969149.db2.gz WLBLYFFKZWQMRL-KBPBESRZSA-N 1 3 248.374 1.825 20 0 BDADHO Cc1nn(C)cc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001204582952 967071551 /nfs/dbraw/zinc/07/15/51/967071551.db2.gz RGBQKUQVBPDXHZ-UHFFFAOYSA-N 1 3 248.374 1.256 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715560997 967185307 /nfs/dbraw/zinc/18/53/07/967185307.db2.gz GDTCHPVFXRTYLB-IJLUTSLNSA-N 1 3 214.353 1.220 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715562825 967185488 /nfs/dbraw/zinc/18/54/88/967185488.db2.gz RIJOGBPEROQLCX-RWMBFGLXSA-N 1 3 228.380 1.466 20 0 BDADHO CCOc1cncc(CN2CCC(C[NH3+])CC2)c1 ZINC001205053590 967306418 /nfs/dbraw/zinc/30/64/18/967306418.db2.gz PVVWCDWFYXMECH-UHFFFAOYSA-N 1 3 249.358 1.651 20 0 BDADHO C[C@H]1C[N@H+](CC2Cc3ccccc3C2)C[C@H]1CN ZINC001205131372 967375555 /nfs/dbraw/zinc/37/55/55/967375555.db2.gz WLMXLLHIKLJDOU-BLLLJJGKSA-N 1 3 244.382 1.928 20 0 BDADHO C[C@H]1C[N@@H+](CC2Cc3ccccc3C2)C[C@H]1CN ZINC001205131372 967375566 /nfs/dbraw/zinc/37/55/66/967375566.db2.gz WLMXLLHIKLJDOU-BLLLJJGKSA-N 1 3 244.382 1.928 20 0 BDADHO C[C@@H]1CN(Cc2nccs2)CCC[C@H]1C[NH3+] ZINC001205992924 967947226 /nfs/dbraw/zinc/94/72/26/967947226.db2.gz GFIAOJLOJIKNQU-MNOVXSKESA-N 1 3 239.388 1.950 20 0 BDADHO CN(Cc1ccc(N(C)C2C[NH2+]C2)nc1)C1CC1 ZINC001165127283 968262857 /nfs/dbraw/zinc/26/28/57/968262857.db2.gz QTIAVOYMDYPEDY-UHFFFAOYSA-N 1 3 246.358 1.084 20 0 BDADHO CCCC[C@H](CC)C[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206507054 968346885 /nfs/dbraw/zinc/34/68/85/968346885.db2.gz YPHOMGXKAWJBQP-AVGNSLFASA-N 1 3 228.380 1.454 20 0 BDADHO CCCC[C@H](CC)C[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206507054 968346893 /nfs/dbraw/zinc/34/68/93/968346893.db2.gz YPHOMGXKAWJBQP-AVGNSLFASA-N 1 3 228.380 1.454 20 0 BDADHO CC1(C)OC[C@H](CN2CCCC[C@H](C[NH3+])C2)O1 ZINC001206606101 968416919 /nfs/dbraw/zinc/41/69/19/968416919.db2.gz DIRMFSJZROGXPV-NEPJUHHUSA-N 1 3 242.363 1.199 20 0 BDADHO CCCC[C@@H](O)C[NH2+]CC[C@H]1CCCN1C ZINC001252113364 968598596 /nfs/dbraw/zinc/59/85/96/968598596.db2.gz YPWFWTUZZZVAHP-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@@H](O)CNCC[C@H]1CCC[N@@H+]1C ZINC001252113364 968598603 /nfs/dbraw/zinc/59/86/03/968598603.db2.gz YPWFWTUZZZVAHP-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO CCCC[C@@H](O)CNCC[C@H]1CCC[N@H+]1C ZINC001252113364 968598604 /nfs/dbraw/zinc/59/86/04/968598604.db2.gz YPWFWTUZZZVAHP-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO Cc1noc(C)c1CN1CCC2(C[NH+](C)C2)CC1 ZINC001207139544 968651579 /nfs/dbraw/zinc/65/15/79/968651579.db2.gz WAZCCGWYJCOOEG-UHFFFAOYSA-N 1 3 249.358 1.819 20 0 BDADHO C[C@@H]1C[C@@H](O)CN1CC(C)(C)C[NH+](C)C ZINC001207275252 968705016 /nfs/dbraw/zinc/70/50/16/968705016.db2.gz LHSARRAOLYICAX-GHMZBOCLSA-N 1 3 214.353 1.029 20 0 BDADHO Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(N(C)C)n1 ZINC001154977068 968829256 /nfs/dbraw/zinc/82/92/56/968829256.db2.gz MSYOQEOMOKVPJY-GHMZBOCLSA-N 1 3 249.362 1.533 20 0 BDADHO COC1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001207836613 968896008 /nfs/dbraw/zinc/89/60/08/968896008.db2.gz KARBTFVSPVSBSF-PZVBLHEMSA-N 1 3 224.348 1.094 20 0 BDADHO C[NH+]1CCC(C)(CN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001208108119 969002964 /nfs/dbraw/zinc/00/29/64/969002964.db2.gz QVUCSPBTXUBZGU-BETUJISGSA-N 1 3 238.375 1.582 20 0 BDADHO CN(C)CCN1CC[NH+](C2CCCCC2)CC1 ZINC001208124399 969014254 /nfs/dbraw/zinc/01/42/54/969014254.db2.gz PMMOUGJUBGDGJX-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO CN(C)CCN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001208126965 969018308 /nfs/dbraw/zinc/01/83/08/969018308.db2.gz NMVBRKZULMEGKC-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO Cc1cnccc1O[C@@H]1CC[N@@H+](CCN(C)C)C1 ZINC001208132839 969032603 /nfs/dbraw/zinc/03/26/03/969032603.db2.gz WEMGNZRBUGEACG-CYBMUJFWSA-N 1 3 249.358 1.405 20 0 BDADHO Cc1cnccc1O[C@@H]1CC[N@H+](CCN(C)C)C1 ZINC001208132839 969032612 /nfs/dbraw/zinc/03/26/12/969032612.db2.gz WEMGNZRBUGEACG-CYBMUJFWSA-N 1 3 249.358 1.405 20 0 BDADHO CC[C@@H](C)C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384534 969148432 /nfs/dbraw/zinc/14/84/32/969148432.db2.gz XRJRMPWDJRLKSM-MNOVXSKESA-N 1 3 216.369 1.371 20 0 BDADHO C[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1CCCC1 ZINC001253406918 969163993 /nfs/dbraw/zinc/16/39/93/969163993.db2.gz YGMJHFBKTDURDW-AAEUAGOBSA-N 1 3 242.407 1.904 20 0 BDADHO CN(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C)C1 ZINC001208608009 969165960 /nfs/dbraw/zinc/16/59/60/969165960.db2.gz FCVSASGANSMMAX-KBPBESRZSA-N 1 3 239.407 1.354 20 0 BDADHO CN(C)C[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C)C1 ZINC001208608009 969165964 /nfs/dbraw/zinc/16/59/64/969165964.db2.gz FCVSASGANSMMAX-KBPBESRZSA-N 1 3 239.407 1.354 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@](C)(O)C1)C2 ZINC001169097889 969389706 /nfs/dbraw/zinc/38/97/06/969389706.db2.gz DWJUISPRVOENSN-HALBRFILSA-N 1 3 224.348 1.115 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1C[C@@](C)(O)C1)C2 ZINC001169097889 969389712 /nfs/dbraw/zinc/38/97/12/969389712.db2.gz DWJUISPRVOENSN-HALBRFILSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cnn(C)c1 ZINC001169102171 969394774 /nfs/dbraw/zinc/39/47/74/969394774.db2.gz XVCQUAMHFIVXPF-ZRJCITRHSA-N 1 3 248.374 1.696 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC[C@H]1F)C2 ZINC001169101507 969397740 /nfs/dbraw/zinc/39/77/40/969397740.db2.gz SYWYNAHVZIPPQV-NZEXEKPDSA-N 1 3 242.338 1.328 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCn1ccnc1)C2 ZINC001169078800 969397766 /nfs/dbraw/zinc/39/77/66/969397766.db2.gz HAKWILLOFULUIX-XYYAHUGASA-N 1 3 234.347 1.098 20 0 BDADHO C[C@H](N)c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078764 969399430 /nfs/dbraw/zinc/39/94/30/969399430.db2.gz GGHLZEQTCVLAKE-YFKTTZPYSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1nccn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078764 969399438 /nfs/dbraw/zinc/39/94/38/969399438.db2.gz GGHLZEQTCVLAKE-YFKTTZPYSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cnn(C)c1 ZINC001169102167 969400202 /nfs/dbraw/zinc/40/02/02/969400202.db2.gz XVCQUAMHFIVXPF-DOERSZECSA-N 1 3 248.374 1.696 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccncc1)C2 ZINC001169080286 969402212 /nfs/dbraw/zinc/40/22/12/969402212.db2.gz MHLIXRSHBGDEJK-BTTYYORXSA-N 1 3 231.343 1.796 20 0 BDADHO CC(C)[C@H](O)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001253783871 969404894 /nfs/dbraw/zinc/40/48/94/969404894.db2.gz ACQPGMAISUKJLC-CQSZACIVSA-N 1 3 247.342 1.712 20 0 BDADHO Cn1ccnc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169123081 969420943 /nfs/dbraw/zinc/42/09/43/969420943.db2.gz IRYRYOOMJKJUGL-XYYAHUGASA-N 1 3 248.374 1.177 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(CN)nc1)C2 ZINC001169114815 969453522 /nfs/dbraw/zinc/45/35/22/969453522.db2.gz YXTDGQRBXYDJCL-ZSOGYDGISA-N 1 3 246.358 1.577 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Nc1ccc(CN)nc1)C2 ZINC001169114815 969453528 /nfs/dbraw/zinc/45/35/28/969453528.db2.gz YXTDGQRBXYDJCL-ZSOGYDGISA-N 1 3 246.358 1.577 20 0 BDADHO C[C@@H](N)c1ccn(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001169232198 969507510 /nfs/dbraw/zinc/50/75/10/969507510.db2.gz AQWTWOUOWMVFKO-SECBINFHSA-N 1 3 228.299 1.495 20 0 BDADHO C[C@@H](N)c1ccn(-c2ccccc2CC[NH3+])n1 ZINC001169232521 969508472 /nfs/dbraw/zinc/50/84/72/969508472.db2.gz GNXVXBOOUYKDOH-SNVBAGLBSA-N 1 3 230.315 1.393 20 0 BDADHO CCO[C@@H]1CCCN(C2CC[NH+](CC)CC2)C1 ZINC001169258779 969543443 /nfs/dbraw/zinc/54/34/43/969543443.db2.gz RQUZQWKACUBXOT-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO CCN1CCN(C2CC[NH+](CC)CC2)C[C@H]1C ZINC001169268667 969555278 /nfs/dbraw/zinc/55/52/78/969555278.db2.gz NQZDQVCKUBACPJ-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN(CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC001254389621 969607533 /nfs/dbraw/zinc/60/75/33/969607533.db2.gz RBWJBVDMTUTWTI-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO C[N@@H+]1CCC[C@H](Nc2ccc(CN)nc2)CC1 ZINC001254507879 969654021 /nfs/dbraw/zinc/65/40/21/969654021.db2.gz GLBUGNHFKUJDKE-NSHDSACASA-N 1 3 234.347 1.437 20 0 BDADHO C[N@H+]1CCC[C@H](Nc2ccc(CN)nc2)CC1 ZINC001254507879 969654027 /nfs/dbraw/zinc/65/40/27/969654027.db2.gz GLBUGNHFKUJDKE-NSHDSACASA-N 1 3 234.347 1.437 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001254529293 969732068 /nfs/dbraw/zinc/73/20/68/969732068.db2.gz LQOOGCWIFUJGDG-MELADBBJSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001254529293 969732077 /nfs/dbraw/zinc/73/20/77/969732077.db2.gz LQOOGCWIFUJGDG-MELADBBJSA-N 1 3 238.375 1.582 20 0 BDADHO CN(C)C1(C)CN([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254861441 969810193 /nfs/dbraw/zinc/81/01/93/969810193.db2.gz SSHRRYWESLGFQO-ZDUSSCGKSA-N 1 3 237.391 1.107 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254916500 969819941 /nfs/dbraw/zinc/81/99/41/969819941.db2.gz ZNZJKGBEMFYDMU-WISYIIOYSA-N 1 3 236.359 1.604 20 0 BDADHO [NH3+]C1(CC2CC2)CCN(C2CCOCC2)CC1 ZINC001255034940 969857828 /nfs/dbraw/zinc/85/78/28/969857828.db2.gz RDGOFRIDTJZLNJ-UHFFFAOYSA-N 1 3 238.375 1.759 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255047136 969866681 /nfs/dbraw/zinc/86/66/81/969866681.db2.gz KLLYWGRCQOPMSA-BETUJISGSA-N 1 3 238.375 1.439 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C1 ZINC001255047136 969866685 /nfs/dbraw/zinc/86/66/85/969866685.db2.gz KLLYWGRCQOPMSA-BETUJISGSA-N 1 3 238.375 1.439 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)C1 ZINC001255348463 970124129 /nfs/dbraw/zinc/12/41/29/970124129.db2.gz IEVIKZLGVWMYRS-IJLUTSLNSA-N 1 3 242.363 1.293 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCOC(C)(C)C1 ZINC001255533189 970295539 /nfs/dbraw/zinc/29/55/39/970295539.db2.gz WSARAIVVAHXENG-QWRGUYRKSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCOC(C)(C)C1 ZINC001255533189 970295556 /nfs/dbraw/zinc/29/55/56/970295556.db2.gz WSARAIVVAHXENG-QWRGUYRKSA-N 1 3 214.353 1.471 20 0 BDADHO CCC[NH+]1C[C@H]2CN(c3cccc(N)n3)C[C@@H]2C1 ZINC001157690996 970537661 /nfs/dbraw/zinc/53/76/61/970537661.db2.gz NJMUDCSBIUSERN-RYUDHWBXSA-N 1 3 246.358 1.442 20 0 BDADHO [NH3+][C@@H]1CCN(C[C@H]2CC3CCC2CC3)C1 ZINC000400134196 970557147 /nfs/dbraw/zinc/55/71/47/970557147.db2.gz WNNQSYDYQQUPCO-FIYWTHMPSA-N 1 3 208.349 1.846 20 0 BDADHO CC[C@@H]1C[C@@H]([N@H+](C)C[C@@H](C)CN)CCO1 ZINC001170182610 970559131 /nfs/dbraw/zinc/55/91/31/970559131.db2.gz NJWQBDHFWWZNMU-SDDRHHMPSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](C)CN)CCO1 ZINC001170182610 970559141 /nfs/dbraw/zinc/55/91/41/970559141.db2.gz NJWQBDHFWWZNMU-SDDRHHMPSA-N 1 3 214.353 1.471 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@]1(C)C[C@H](O)C1 ZINC001255944876 970562548 /nfs/dbraw/zinc/56/25/48/970562548.db2.gz HRZDUAQTSWRJNU-AVGNSLFASA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC001255941350 970564620 /nfs/dbraw/zinc/56/46/20/970564620.db2.gz OXRUGEPQQABOSI-IHRRRGAJSA-N 1 3 242.407 2.000 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCO[C@@H]1C ZINC001255941316 970573462 /nfs/dbraw/zinc/57/34/62/970573462.db2.gz OFAPVHXJHGOURU-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC001255941316 970573466 /nfs/dbraw/zinc/57/34/66/970573466.db2.gz OFAPVHXJHGOURU-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO C[N@H+](C1CCN(C2CC2)CC1)C(C)(C)CN ZINC001256069377 970636235 /nfs/dbraw/zinc/63/62/35/970636235.db2.gz BRDPAZOADWDAAC-UHFFFAOYSA-N 1 3 225.380 1.282 20 0 BDADHO C[N@@H+](C1CCN(C2CC2)CC1)C(C)(C)CN ZINC001256069377 970636245 /nfs/dbraw/zinc/63/62/45/970636245.db2.gz BRDPAZOADWDAAC-UHFFFAOYSA-N 1 3 225.380 1.282 20 0 BDADHO c1nc2c(n1C1CC[NH+](C3CC3)CC1)CNCC2 ZINC001256073817 970639455 /nfs/dbraw/zinc/63/94/55/970639455.db2.gz ZNCOLEUIYFQVAD-UHFFFAOYSA-N 1 3 246.358 1.328 20 0 BDADHO C1CC1[NH+]1CCC(N2CCN3CC[C@H]3C2)CC1 ZINC001256083362 970653646 /nfs/dbraw/zinc/65/36/46/970653646.db2.gz SWXFVJNLUHXWCF-AWEZNQCLSA-N 1 3 235.375 1.003 20 0 BDADHO CN1CC(CNc2cccc(C[NH3+])c2)C1 ZINC001170254756 970670543 /nfs/dbraw/zinc/67/05/43/970670543.db2.gz QPPQCIOONAEMRF-UHFFFAOYSA-N 1 3 205.305 1.119 20 0 BDADHO C[NH+]1CCC(NC2CN(C(C)(C)C)C2)CC1 ZINC001256201264 970697627 /nfs/dbraw/zinc/69/76/27/970697627.db2.gz AYDCGFXXXATKAK-UHFFFAOYSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CCC([NH2+]C2CN(C(C)(C)C)C2)CC1 ZINC001256201264 970697637 /nfs/dbraw/zinc/69/76/37/970697637.db2.gz AYDCGFXXXATKAK-UHFFFAOYSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CCC[C@@H](C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664832 970713573 /nfs/dbraw/zinc/71/35/73/970713573.db2.gz WRIYDOFOUIUCMQ-WCQYABFASA-N 1 3 248.374 1.719 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664832 970713586 /nfs/dbraw/zinc/71/35/86/970713586.db2.gz WRIYDOFOUIUCMQ-WCQYABFASA-N 1 3 248.374 1.719 20 0 BDADHO C[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3n[nH]cc32)C1 ZINC000401664832 970713600 /nfs/dbraw/zinc/71/36/00/970713600.db2.gz WRIYDOFOUIUCMQ-WCQYABFASA-N 1 3 248.374 1.719 20 0 BDADHO C[C@H](Cc1ccccn1)N1CCC[C@@H]([NH3+])CC1 ZINC001246540332 972559826 /nfs/dbraw/zinc/55/98/26/972559826.db2.gz GITUMLLBQLFWBR-CHWSQXEVSA-N 1 3 233.359 1.826 20 0 BDADHO C[C@H]1C[C@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553606 972750821 /nfs/dbraw/zinc/75/08/21/972750821.db2.gz BNEOQQJGGNXRRC-GARJFASQSA-N 1 3 248.317 1.470 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](O)[C@H](C)C2)CCN1 ZINC001246571270 972850056 /nfs/dbraw/zinc/85/00/56/972850056.db2.gz ASHPNBXEESDEFI-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](O)[C@H](C)C2)CCN1 ZINC001246571270 972850060 /nfs/dbraw/zinc/85/00/60/972850060.db2.gz ASHPNBXEESDEFI-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](O)[C@@H](C)C2)CCN1 ZINC001246571273 972850752 /nfs/dbraw/zinc/85/07/52/972850752.db2.gz ASHPNBXEESDEFI-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](O)[C@@H](C)C2)CCN1 ZINC001246571273 972850755 /nfs/dbraw/zinc/85/07/55/972850755.db2.gz ASHPNBXEESDEFI-UMSGYPCISA-N 1 3 226.364 1.220 20 0 BDADHO O[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1F ZINC001246572862 972861815 /nfs/dbraw/zinc/86/18/15/972861815.db2.gz DPDGYIHCEKHQEF-GJHMDTBVSA-N 1 3 242.338 1.064 20 0 BDADHO CC(C)C1CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246583039 972950324 /nfs/dbraw/zinc/95/03/24/972950324.db2.gz IOTWHWOXXCXAIV-GNRIBBGQSA-N 1 3 240.391 1.453 20 0 BDADHO CC(C)C1CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246583039 972950335 /nfs/dbraw/zinc/95/03/35/972950335.db2.gz IOTWHWOXXCXAIV-GNRIBBGQSA-N 1 3 240.391 1.453 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN[C@@H](C)C1 ZINC001246875726 973309409 /nfs/dbraw/zinc/30/94/09/973309409.db2.gz LIWMOJBHNZBWTM-UKIXVXPJSA-N 1 3 238.375 1.769 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN[C@@H](C)C1 ZINC001246875726 973309424 /nfs/dbraw/zinc/30/94/24/973309424.db2.gz LIWMOJBHNZBWTM-UKIXVXPJSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171412438 974021917 /nfs/dbraw/zinc/02/19/17/974021917.db2.gz WZMMNFUYTIONEP-CMPLNLGQSA-N 1 3 236.334 1.867 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171412440 974025153 /nfs/dbraw/zinc/02/51/53/974025153.db2.gz WZMMNFUYTIONEP-PWSUYJOCSA-N 1 3 236.334 1.867 20 0 BDADHO C[C@@H](O)CNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617649 974112423 /nfs/dbraw/zinc/11/24/23/974112423.db2.gz PDEITKIJJROHJJ-SNVBAGLBSA-N 1 3 228.380 1.608 20 0 BDADHO CC[C@H](CO)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619231 974115202 /nfs/dbraw/zinc/11/52/02/974115202.db2.gz ZNICBWRBBYECJX-LLVKDONJSA-N 1 3 242.407 1.998 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(COC3)C1)C2 ZINC001172113225 974378992 /nfs/dbraw/zinc/37/89/92/974378992.db2.gz HPUKOIMPIXAPLD-ITGUQSILSA-N 1 3 236.359 1.334 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C=C(N)C=CC1)C2 ZINC001172113712 974379075 /nfs/dbraw/zinc/37/90/75/974379075.db2.gz JGKWEPAWUVTNOB-WDNDVIMCSA-N 1 3 233.359 1.674 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C=C(N)C=CC1)C2 ZINC001172113712 974379081 /nfs/dbraw/zinc/37/90/81/974379081.db2.gz JGKWEPAWUVTNOB-WDNDVIMCSA-N 1 3 233.359 1.674 20 0 BDADHO CC[NH+](CC)CCCNCC1(OC)CCC1 ZINC001331059501 974582630 /nfs/dbraw/zinc/58/26/30/974582630.db2.gz TUXMBMFUNDXIGT-UHFFFAOYSA-N 1 3 228.380 1.877 20 0 BDADHO CCN(CC)CCC[NH2+]CC1(OC)CCC1 ZINC001331059501 974582638 /nfs/dbraw/zinc/58/26/38/974582638.db2.gz TUXMBMFUNDXIGT-UHFFFAOYSA-N 1 3 228.380 1.877 20 0 BDADHO Cc1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)[nH]1 ZINC001206164172 974633893 /nfs/dbraw/zinc/63/38/93/974633893.db2.gz JHTQULWHKBUDCZ-RYUDHWBXSA-N 1 3 225.311 1.584 20 0 BDADHO Cc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)[nH]1 ZINC001206164172 974633900 /nfs/dbraw/zinc/63/39/00/974633900.db2.gz JHTQULWHKBUDCZ-RYUDHWBXSA-N 1 3 225.311 1.584 20 0 BDADHO CCOCC[C@@H](C)[NH2+]CCCN1CCCC1 ZINC001172405702 974662178 /nfs/dbraw/zinc/66/21/78/974662178.db2.gz CCIBDDWFWBYZKJ-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CC(C)COCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001172463388 974828816 /nfs/dbraw/zinc/82/88/16/974828816.db2.gz NQGZHEINWXIKAG-NWDGAFQWSA-N 1 3 216.369 1.622 20 0 BDADHO Cc1ccc2c(c1)C[C@H](NC1(C[NH3+])CC1)CC2 ZINC001172837733 974953594 /nfs/dbraw/zinc/95/35/94/974953594.db2.gz MLPZEULXKYKZBH-CQSZACIVSA-N 1 3 230.355 1.933 20 0 BDADHO [NH3+]C1CC(NC2Cc3cc(F)c(F)cc3C2)C1 ZINC001173475101 975382218 /nfs/dbraw/zinc/38/22/18/975382218.db2.gz HBWNQPKFGSXBCP-UHFFFAOYSA-N 1 3 238.281 1.511 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@H]1CCO[C@H](C)C1 ZINC000721409588 976627867 /nfs/dbraw/zinc/62/78/67/976627867.db2.gz IENPGKILGLVKHE-MXWKQRLJSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCO[C@H](C)C1 ZINC000721409588 976627868 /nfs/dbraw/zinc/62/78/68/976627868.db2.gz IENPGKILGLVKHE-MXWKQRLJSA-N 1 3 200.326 1.081 20 0 BDADHO NC1(C[NH2+]Cc2ccccc2N2CCCC2)CC1 ZINC001335289581 976934984 /nfs/dbraw/zinc/93/49/84/976934984.db2.gz PCQCIYBNLVMKHX-UHFFFAOYSA-N 1 3 245.370 1.868 20 0 BDADHO Cc1ccc([C@H](O)CNC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001335350255 976987308 /nfs/dbraw/zinc/98/73/08/976987308.db2.gz FODUYLFWISAGFX-DZGCQCFKSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1ccc([C@H](O)CNC[C@@H]2CC[N@H+](C)C2)cc1 ZINC001335350255 976987321 /nfs/dbraw/zinc/98/73/21/976987321.db2.gz FODUYLFWISAGFX-DZGCQCFKSA-N 1 3 248.370 1.570 20 0 BDADHO COc1ccc(CCN[C@H](C)C[C@H](C)[NH3+])cn1 ZINC001335380387 977012680 /nfs/dbraw/zinc/01/26/80/977012680.db2.gz FRJMKPQPZVYSLV-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@H](O)CCC(C)C)C1 ZINC001335935883 977373605 /nfs/dbraw/zinc/37/36/05/977373605.db2.gz YPFVPZVVYZAFSN-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH+](C)[C@@H]1C[C@H](NC[C@H](O)C2CC2)C12CCC2 ZINC001336051179 977458276 /nfs/dbraw/zinc/45/82/76/977458276.db2.gz NHDZLLOVCRIHIN-RWMBFGLXSA-N 1 3 238.375 1.220 20 0 BDADHO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccncc1 ZINC001336410862 977668317 /nfs/dbraw/zinc/66/83/17/977668317.db2.gz QITUQDXDXZHTLK-STQMWFEESA-N 1 3 217.316 1.755 20 0 BDADHO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ccncc1 ZINC001336410862 977668324 /nfs/dbraw/zinc/66/83/24/977668324.db2.gz QITUQDXDXZHTLK-STQMWFEESA-N 1 3 217.316 1.755 20 0 BDADHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccncc1 ZINC001336410860 977670001 /nfs/dbraw/zinc/67/00/01/977670001.db2.gz QITUQDXDXZHTLK-OLZOCXBDSA-N 1 3 217.316 1.755 20 0 BDADHO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1ccncc1 ZINC001336410860 977670010 /nfs/dbraw/zinc/67/00/10/977670010.db2.gz QITUQDXDXZHTLK-OLZOCXBDSA-N 1 3 217.316 1.755 20 0 BDADHO Cc1ncc(CN2CC3(C2)CC[NH+](C)CC3)[nH]1 ZINC001232464825 978109525 /nfs/dbraw/zinc/10/95/25/978109525.db2.gz MHGMKPOHRMHOBW-UHFFFAOYSA-N 1 3 234.347 1.246 20 0 BDADHO CCC[C@H](C)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052542 978962739 /nfs/dbraw/zinc/96/27/39/978962739.db2.gz GXWNHYMCXGNJIR-QWHCGFSZSA-N 1 3 225.380 1.060 20 0 BDADHO CC(C)(C)CCN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056213 978968141 /nfs/dbraw/zinc/96/81/41/978968141.db2.gz WMEQDAIXRANKCJ-ZDUSSCGKSA-N 1 3 225.380 1.060 20 0 BDADHO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001206437475 978970256 /nfs/dbraw/zinc/97/02/56/978970256.db2.gz WCUARTLVPUKJIW-GHMZBOCLSA-N 1 3 248.305 1.434 20 0 BDADHO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc3cnccc3[nH]2)C1 ZINC001206437475 978970262 /nfs/dbraw/zinc/97/02/62/978970262.db2.gz WCUARTLVPUKJIW-GHMZBOCLSA-N 1 3 248.305 1.434 20 0 BDADHO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001235175329 978989254 /nfs/dbraw/zinc/98/92/54/978989254.db2.gz ZTMQGPRMLCDDEQ-SMDDNHRTSA-N 1 3 242.326 1.486 20 0 BDADHO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc3cnccc3[nH]1)C2 ZINC001235175329 978989256 /nfs/dbraw/zinc/98/92/56/978989256.db2.gz ZTMQGPRMLCDDEQ-SMDDNHRTSA-N 1 3 242.326 1.486 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC(C)(C)CO)C2 ZINC001277962533 979125017 /nfs/dbraw/zinc/12/50/17/979125017.db2.gz AQXPKRFCTLFNGD-CQSZACIVSA-N 1 3 240.391 1.423 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC(C)(C)CO)C2 ZINC001277962533 979125022 /nfs/dbraw/zinc/12/50/22/979125022.db2.gz AQXPKRFCTLFNGD-CQSZACIVSA-N 1 3 240.391 1.423 20 0 BDADHO CC(C)(C[NH3+])C(=O)Nc1cccc2c1CNC2 ZINC001340983686 979186335 /nfs/dbraw/zinc/18/63/35/979186335.db2.gz PDQRIJBFWCJDAA-UHFFFAOYSA-N 1 3 233.315 1.213 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001340994825 979188467 /nfs/dbraw/zinc/18/84/67/979188467.db2.gz NINFYRBOVBQNNO-RNCFNFMXSA-N 1 3 247.342 1.602 20 0 BDADHO NC[C@H]1C[N@H+](CCCCc2ccccc2)C[C@H]1O ZINC001206456287 979209480 /nfs/dbraw/zinc/20/94/80/979209480.db2.gz MVTLNHUHZMHOOA-LSDHHAIUSA-N 1 3 248.370 1.261 20 0 BDADHO NC[C@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1O ZINC001206456287 979209494 /nfs/dbraw/zinc/20/94/94/979209494.db2.gz MVTLNHUHZMHOOA-LSDHHAIUSA-N 1 3 248.370 1.261 20 0 BDADHO CC(C)N(CC[NH3+])C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235948627 979220562 /nfs/dbraw/zinc/22/05/62/979220562.db2.gz RHVBHVJPXXYIST-QWRGUYRKSA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@H+](CCN)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235948627 979220574 /nfs/dbraw/zinc/22/05/74/979220574.db2.gz RHVBHVJPXXYIST-QWRGUYRKSA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@@H+](CCN)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235948627 979220581 /nfs/dbraw/zinc/22/05/81/979220581.db2.gz RHVBHVJPXXYIST-QWRGUYRKSA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206457640 979230815 /nfs/dbraw/zinc/23/08/15/979230815.db2.gz SDQXYULQSIYACY-MELADBBJSA-N 1 3 240.391 1.620 20 0 BDADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206457640 979230817 /nfs/dbraw/zinc/23/08/17/979230817.db2.gz SDQXYULQSIYACY-MELADBBJSA-N 1 3 240.391 1.620 20 0 BDADHO [NH3+][C@@]12CC[C@H]1CN(CC1Cc3ccccc3C1)C2 ZINC001235976999 979241659 /nfs/dbraw/zinc/24/16/59/979241659.db2.gz DTBYRWSXZQNMCH-JKSUJKDBSA-N 1 3 242.366 1.825 20 0 BDADHO [NH3+]CCCCN1CCOC[C@H]1Cc1ccccc1 ZINC001236304088 979507843 /nfs/dbraw/zinc/50/78/43/979507843.db2.gz HEBYHOPTAADCHE-OAHLLOKOSA-N 1 3 248.370 1.669 20 0 BDADHO C[C@@H](NC1CC1)C(=O)Nc1ccccc1C[NH3+] ZINC001343110791 980011517 /nfs/dbraw/zinc/01/15/17/980011517.db2.gz VWUVDOBPBFHVEF-SECBINFHSA-N 1 3 233.315 1.224 20 0 BDADHO C[NH2+][C@H](C)CCN[C@H](COC)C1CCCC1 ZINC001345482161 980619092 /nfs/dbraw/zinc/61/90/92/980619092.db2.gz KSPPGHHKVNMBKQ-DGCLKSJQSA-N 1 3 228.380 1.779 20 0 BDADHO CN(C)Cc1ccnc(C2=CC[NH2+]CC2)c1 ZINC001240466422 981400008 /nfs/dbraw/zinc/40/00/08/981400008.db2.gz HNGGATZNNTUPSQ-UHFFFAOYSA-N 1 3 217.316 1.520 20 0 BDADHO Cc1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205664061 981804615 /nfs/dbraw/zinc/80/46/15/981804615.db2.gz LCMAHZCKYCEJAD-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205664061 981804617 /nfs/dbraw/zinc/80/46/17/981804617.db2.gz LCMAHZCKYCEJAD-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205664061 981804625 /nfs/dbraw/zinc/80/46/25/981804625.db2.gz LCMAHZCKYCEJAD-HNNXBMFYSA-N 1 3 248.370 1.671 20 0 BDADHO C[C@@H]1CCOCCN1C[C@@H]1CCC[NH2+]C1 ZINC001352775837 982571204 /nfs/dbraw/zinc/57/12/04/982571204.db2.gz ATAHNPUPIDXJFK-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2C1 ZINC001201478455 983282034 /nfs/dbraw/zinc/28/20/34/983282034.db2.gz KOSUUMNBNGHQKO-BETUJISGSA-N 1 3 210.365 1.916 20 0 BDADHO CC(C)C[NH2+]CC(=O)Nc1cccc2c1CNC2 ZINC001358059605 983817338 /nfs/dbraw/zinc/81/73/38/983817338.db2.gz KDBOZXOWPBTGAL-UHFFFAOYSA-N 1 3 247.342 1.474 20 0 BDADHO CN(C1CC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202512623 983837506 /nfs/dbraw/zinc/83/75/06/983837506.db2.gz GBWNAVGPZRBEMZ-GFCCVEGCSA-N 1 3 238.375 1.582 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CC23CC(O)C3)C1 ZINC001576478501 984169944 /nfs/dbraw/zinc/16/99/44/984169944.db2.gz ACJSERAHPQHLKQ-ATWGWHJKSA-N 1 3 238.375 1.268 20 0 BDADHO C[C@@]1(CN[C@]23C[C@H]2COC32CCC2)CC[NH2+]C1 ZINC001576525222 984171772 /nfs/dbraw/zinc/17/17/72/984171772.db2.gz CIGDMINDLUQXEE-OUCADQQQSA-N 1 3 236.359 1.287 20 0 BDADHO C[C@@H]1CN(Cc2cc[nH]n2)CCC[C@H]1C[NH3+] ZINC001205981836 984187376 /nfs/dbraw/zinc/18/73/76/984187376.db2.gz HSENSZPMEIQUOW-MNOVXSKESA-N 1 3 222.336 1.217 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC001578160928 984205751 /nfs/dbraw/zinc/20/57/51/984205751.db2.gz FNANBYCACSMNCR-DBIOUOCHSA-N 1 3 212.337 1.269 20 0 BDADHO CNC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654387 984219604 /nfs/dbraw/zinc/21/96/04/984219604.db2.gz OJNVNLDFPCWKMB-CABCVRRESA-N 1 3 248.370 1.794 20 0 BDADHO CNC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001578654387 984219611 /nfs/dbraw/zinc/21/96/11/984219611.db2.gz OJNVNLDFPCWKMB-CABCVRRESA-N 1 3 248.370 1.794 20 0 BDADHO COCC[C@H]([NH3+])CN[C@@H]1CCC[C@]12CCCO2 ZINC001579003317 984252395 /nfs/dbraw/zinc/25/23/95/984252395.db2.gz FFCBQNIRABIWLH-XQQFMLRXSA-N 1 3 242.363 1.042 20 0 BDADHO CCCCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001275117376 984491750 /nfs/dbraw/zinc/49/17/50/984491750.db2.gz CQGAWNMLPRSWPU-UHFFFAOYSA-N 1 3 225.380 1.108 20 0 BDADHO CCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCN(C)C ZINC001275108829 984493822 /nfs/dbraw/zinc/49/38/22/984493822.db2.gz YCJPAHYCHNRTAC-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO CCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCN(C)C ZINC001275108829 984493830 /nfs/dbraw/zinc/49/38/30/984493830.db2.gz YCJPAHYCHNRTAC-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO CCCCCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001275120339 984498389 /nfs/dbraw/zinc/49/83/89/984498389.db2.gz IGGFWPGPCGTNBD-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO C[NH+](C)CCN1CCC12CN(CC1CCC1)C2 ZINC001275181860 984514630 /nfs/dbraw/zinc/51/46/30/984514630.db2.gz BOEGRUVFNVLQCX-UHFFFAOYSA-N 1 3 237.391 1.108 20 0 BDADHO COc1ccc(C2=CC[NH2+]C2)c(CN(C)C)c1 ZINC001243115070 984586030 /nfs/dbraw/zinc/58/60/30/984586030.db2.gz JPVRHWCARHRJDE-UHFFFAOYSA-N 1 3 232.327 1.743 20 0 BDADHO CCOC(=O)C1(C)CC([NH2+]C[C@H](N)CC)C1 ZINC001577925373 984820780 /nfs/dbraw/zinc/82/07/80/984820780.db2.gz HKSXGQRHSVYIMP-GRZMOONWSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@@H](C)N)C1 ZINC001577925393 984821609 /nfs/dbraw/zinc/82/16/09/984821609.db2.gz INBBRUQHPQJUSI-GHHKWEBWSA-N 1 3 228.336 1.044 20 0 BDADHO CCOC1CC(CN2C[C@H]3C[NH2+]C[C@@]3(C)C2)C1 ZINC001578087453 984844183 /nfs/dbraw/zinc/84/41/83/984844183.db2.gz LLYSKUDTWKVJQB-HHTDUIENSA-N 1 3 238.375 1.343 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]C[C@@H](CN)C(C)C)C1 ZINC001578161854 984864290 /nfs/dbraw/zinc/86/42/90/984864290.db2.gz ZHEAATIOQCAZPE-UTUOFQBUSA-N 1 3 214.353 1.374 20 0 BDADHO CN(C[C@H]1CCC[C@H]1O)CC1(C[NH3+])CCC1 ZINC001578451307 985084624 /nfs/dbraw/zinc/08/46/24/985084624.db2.gz GPMMKSHZSQPADT-VXGBXAGGSA-N 1 3 226.364 1.208 20 0 BDADHO CNC[C@@H](O)C[NH+]1CCC(CC(C)C)CC1 ZINC001578654512 985269294 /nfs/dbraw/zinc/26/92/94/985269294.db2.gz RJYMLUPRVRECHZ-CYBMUJFWSA-N 1 3 228.380 1.325 20 0 BDADHO COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@H]1C[C@H](N)C1 ZINC001578797237 985368809 /nfs/dbraw/zinc/36/88/09/985368809.db2.gz KSPVHMZMJDZTOE-GMTAPVOTSA-N 1 3 242.363 1.434 20 0 BDADHO C[C@@H]1COC[C@H]1NC1CC[NH+](C(C)(C)C)CC1 ZINC000688026151 985503782 /nfs/dbraw/zinc/50/37/82/985503782.db2.gz UHCYQBWLRGKUTH-DGCLKSJQSA-N 1 3 240.391 1.874 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000688030320 985509337 /nfs/dbraw/zinc/50/93/37/985509337.db2.gz QXDIHBQLQROKGR-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2COC[C@H]2C)C1 ZINC000688030320 985509355 /nfs/dbraw/zinc/50/93/55/985509355.db2.gz QXDIHBQLQROKGR-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2COC[C@H]2C)C1 ZINC000688030320 985509358 /nfs/dbraw/zinc/50/93/58/985509358.db2.gz QXDIHBQLQROKGR-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H](CN[C@H]1C[C@@H]([NH3+])C1)CC(C)C ZINC001578912345 985517130 /nfs/dbraw/zinc/51/71/30/985517130.db2.gz CSZXXSSZVLBCCJ-OUAUKWLOSA-N 1 3 200.326 1.127 20 0 BDADHO COC[C@H](C[NH2+]C[C@@H](N)CCC(C)(C)C)OC ZINC001578961313 985586537 /nfs/dbraw/zinc/58/65/37/985586537.db2.gz HHSHXVFBAUPLTA-RYUDHWBXSA-N 1 3 246.395 1.391 20 0 BDADHO C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC001579354438 985854408 /nfs/dbraw/zinc/85/44/08/985854408.db2.gz CYMZYGPCAKSDDK-GTXQXIFRSA-N 1 3 244.404 1.146 20 0 BDADHO Cc1n[nH]c(CN(C)CCCCCC[NH3+])c1C ZINC001579514911 986067333 /nfs/dbraw/zinc/06/73/33/986067333.db2.gz ZBWPJORPIRNFQZ-UHFFFAOYSA-N 1 3 238.379 1.977 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccnc1N ZINC001462203700 986309108 /nfs/dbraw/zinc/30/91/08/986309108.db2.gz QZNMHGSXYIKHIE-DGCLKSJQSA-N 1 3 248.374 1.436 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccnc1N ZINC001462203700 986309118 /nfs/dbraw/zinc/30/91/18/986309118.db2.gz QZNMHGSXYIKHIE-DGCLKSJQSA-N 1 3 248.374 1.436 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(C[C@@H](O)C(C)C)C[C@H]2C1 ZINC001253767349 986391806 /nfs/dbraw/zinc/39/18/06/986391806.db2.gz KXIQMXYRQWLTPV-MGPQQGTHSA-N 1 3 240.391 1.277 20 0 BDADHO CCCN1C[C@@H]2C[NH+](C[C@@H](O)C(C)C)C[C@H]2C1 ZINC001253767349 986391812 /nfs/dbraw/zinc/39/18/12/986391812.db2.gz KXIQMXYRQWLTPV-MGPQQGTHSA-N 1 3 240.391 1.277 20 0 BDADHO C[NH2+]Cc1cccc(-c2cc(CN)ncn2)c1F ZINC001244856999 986400645 /nfs/dbraw/zinc/40/06/45/986400645.db2.gz HIMUIPWFRSCYEZ-UHFFFAOYSA-N 1 3 246.289 1.461 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@@H]2C1 ZINC001462664470 986498949 /nfs/dbraw/zinc/49/89/49/986498949.db2.gz GZEKPKDCDZDXNE-LOWDOPEQSA-N 1 3 224.348 1.095 20 0 BDADHO CCN1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516246 986656235 /nfs/dbraw/zinc/65/62/35/986656235.db2.gz LEMPVIYLUSCASQ-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CCN1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516246 986656242 /nfs/dbraw/zinc/65/62/42/986656242.db2.gz LEMPVIYLUSCASQ-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO [NH3+]CC1(CN(CCO)CCc2ccccc2)CC1 ZINC001580244439 986693485 /nfs/dbraw/zinc/69/34/85/986693485.db2.gz XBUGVFCEFHYQSI-UHFFFAOYSA-N 1 3 248.370 1.262 20 0 BDADHO c1nc2c(n1[C@@H]1CC3CC[NH+](CC3)C1)CNCC2 ZINC001254854034 986734218 /nfs/dbraw/zinc/73/42/18/986734218.db2.gz UZKRVDMUVQDJHI-GFCCVEGCSA-N 1 3 246.358 1.186 20 0 BDADHO [NH3+][C@H]1C[C@H](CNCc2ncccc2F)C1 ZINC001580427746 986844956 /nfs/dbraw/zinc/84/49/56/986844956.db2.gz OVUOGNKZVYTDJO-KYZUINATSA-N 1 3 209.268 1.048 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC001255942387 987079487 /nfs/dbraw/zinc/07/94/87/987079487.db2.gz FQTXXJSOHTZUSY-CYBMUJFWSA-N 1 3 242.407 1.859 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)CF)CC1 ZINC001256566887 987234692 /nfs/dbraw/zinc/23/46/92/987234692.db2.gz OXLNBOYQVROHNP-NSHDSACASA-N 1 3 232.343 1.169 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2)CN1 ZINC001245976350 987251297 /nfs/dbraw/zinc/25/12/97/987251297.db2.gz SCLYKGUDOOWSPZ-QEJZJMRPSA-N 1 3 248.370 1.624 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001246006825 987283297 /nfs/dbraw/zinc/28/32/97/987283297.db2.gz VTMDDZFPUQAQAC-CABZTGNLSA-N 1 3 244.285 1.325 20 0 BDADHO C[C@H]([NH3+])CCNC[C@H](O)c1ccc(F)cc1 ZINC001246001862 987285918 /nfs/dbraw/zinc/28/59/18/987285918.db2.gz PERSYHZFPDNSEC-CABZTGNLSA-N 1 3 226.295 1.186 20 0 BDADHO CCC[C@H](O)CN[C@H]1CCCC[C@H]1[NH3+] ZINC001246015428 987295093 /nfs/dbraw/zinc/29/50/93/987295093.db2.gz BRDUIHXPXGSTFI-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO CCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246018598 987303904 /nfs/dbraw/zinc/30/39/04/987303904.db2.gz FUCWJVOKJGKKJT-IJLUTSLNSA-N 1 3 214.353 1.349 20 0 BDADHO CCCCC[C@@H](O)C[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246018598 987303911 /nfs/dbraw/zinc/30/39/11/987303911.db2.gz FUCWJVOKJGKKJT-IJLUTSLNSA-N 1 3 214.353 1.349 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246020205 987306601 /nfs/dbraw/zinc/30/66/01/987306601.db2.gz IJJYACPZOZEWAZ-STQMWFEESA-N 1 3 228.380 1.598 20 0 BDADHO CCC[C@H](O)C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246020205 987306612 /nfs/dbraw/zinc/30/66/12/987306612.db2.gz IJJYACPZOZEWAZ-STQMWFEESA-N 1 3 228.380 1.598 20 0 BDADHO CC(C)[C@@H](O)CN1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001246027127 987326934 /nfs/dbraw/zinc/32/69/34/987326934.db2.gz WZGVOGUAUIJROI-UTUOFQBUSA-N 1 3 214.353 1.063 20 0 BDADHO c1nc2c(s1)C[C@@H]([NH2+]C1CCNCC1)CC2 ZINC001246072948 987359632 /nfs/dbraw/zinc/35/96/32/987359632.db2.gz NJYNPHPTQVBKBN-JTQLQIEISA-N 1 3 237.372 1.342 20 0 BDADHO c1nc2c(s1)C[C@@H](NC1CC[NH2+]CC1)CC2 ZINC001246072948 987359637 /nfs/dbraw/zinc/35/96/37/987359637.db2.gz NJYNPHPTQVBKBN-JTQLQIEISA-N 1 3 237.372 1.342 20 0 BDADHO C[C@@H](Cc1ccncc1)NCC1([NH3+])CCCC1 ZINC001246073992 987364597 /nfs/dbraw/zinc/36/45/97/987364597.db2.gz ANSHZFPKIYWABC-LBPRGKRZSA-N 1 3 233.359 1.874 20 0 BDADHO C[C@H]1CC[C@@H](NC2(C)CCOCC2)C[NH2+]1 ZINC001246080093 987372405 /nfs/dbraw/zinc/37/24/05/987372405.db2.gz DRHNUXINOKGUHE-WDEREUQCSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@@H]1CCC[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083317 987379445 /nfs/dbraw/zinc/37/94/45/987379445.db2.gz GZCXZGAYQOGEGZ-QNWHQSFQSA-N 1 3 226.364 1.674 20 0 BDADHO Cc1cc(C)n(CCN[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246086226 987385379 /nfs/dbraw/zinc/38/53/79/987385379.db2.gz SNIBYIPIIDBIJY-ZWNOBZJWSA-N 1 3 236.363 1.230 20 0 BDADHO C[C@@]1(O)CC[C@@H]([NH2+]C2CCNCC2)CC1 ZINC001246090406 987393122 /nfs/dbraw/zinc/39/31/22/987393122.db2.gz XHKSINNFZNFSGJ-UMSPYCQHSA-N 1 3 212.337 1.022 20 0 BDADHO C[C@@H]1CC(N[C@@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC001246089954 987393554 /nfs/dbraw/zinc/39/35/54/987393554.db2.gz IEGSGNZHRIRSFQ-IJLUTSLNSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CCN1 ZINC001246090435 987394284 /nfs/dbraw/zinc/39/42/84/987394284.db2.gz XPKSUJGPKJSMNU-CYDGBPFRSA-N 1 3 226.364 1.410 20 0 BDADHO CCOC(=O)CC(C)(C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246090786 987399849 /nfs/dbraw/zinc/39/98/49/987399849.db2.gz ZNLXQAMEMVBISM-QWRGUYRKSA-N 1 3 242.363 1.448 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@](C)(O)CC2)CCN1 ZINC001246094402 987405319 /nfs/dbraw/zinc/40/53/19/987405319.db2.gz XPKSUJGPKJSMNU-NDBYEHHHSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC2CCN(CC2)C1 ZINC001246101344 987424401 /nfs/dbraw/zinc/42/44/01/987424401.db2.gz KIORFHXEYRZCGP-MRVWCRGKSA-N 1 3 237.391 1.058 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1CCC[NH2+][C@@H]1C ZINC001246105445 987435173 /nfs/dbraw/zinc/43/51/73/987435173.db2.gz AZKUYEVEEQCBLT-TUAOUCFPSA-N 1 3 242.363 1.306 20 0 BDADHO CC(C)OCC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246110243 987441331 /nfs/dbraw/zinc/44/13/31/987441331.db2.gz MMWLLGQUMFNLOS-SRVKXCTJSA-N 1 3 232.343 1.480 20 0 BDADHO CCCCC[C@H](CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135369 987491625 /nfs/dbraw/zinc/49/16/25/987491625.db2.gz RWUIETAOXCZXSC-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO COC1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246136411 987492901 /nfs/dbraw/zinc/49/29/01/987492901.db2.gz WZAWVIHZGWSKSY-HTAVTVPLSA-N 1 3 224.348 1.286 20 0 BDADHO FC1(F)CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246135265 987494503 /nfs/dbraw/zinc/49/45/03/987494503.db2.gz TWKWPJQTADQVEL-JTQLQIEISA-N 1 3 230.302 1.906 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246140149 987497521 /nfs/dbraw/zinc/49/75/21/987497521.db2.gz ZFZFCYXPTUHIIO-BUCHIQEDSA-N 1 3 238.375 1.388 20 0 BDADHO CC[C@H](C)[C@@H](CO)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246150627 987508300 /nfs/dbraw/zinc/50/83/00/987508300.db2.gz ANBSPIWTOCEYRE-FIQHERPVSA-N 1 3 214.353 1.124 20 0 BDADHO NCc1c(F)cccc1N[C@@H]1CCC[NH2+]C1 ZINC001246173171 987535996 /nfs/dbraw/zinc/53/59/96/987535996.db2.gz SKYBEQDFMXIEIF-SECBINFHSA-N 1 3 223.295 1.448 20 0 BDADHO C[C@H]1CC[C@H](Nc2cccc(F)c2CN)C[NH2+]1 ZINC001246175437 987544049 /nfs/dbraw/zinc/54/40/49/987544049.db2.gz ZFWQODIUROUHGA-UWVGGRQHSA-N 1 3 237.322 1.837 20 0 BDADHO CCOC(=O)CCCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246189065 987571376 /nfs/dbraw/zinc/57/13/76/987571376.db2.gz ZGSYVMRCWBNXGH-NEPJUHHUSA-N 1 3 242.363 1.450 20 0 BDADHO CCOC(=O)C1(CN[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246188510 987572246 /nfs/dbraw/zinc/57/22/46/987572246.db2.gz JVUWMHQPYURJSY-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)C1(C[NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246188510 987572253 /nfs/dbraw/zinc/57/22/53/987572253.db2.gz JVUWMHQPYURJSY-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H]1C[C@@H](n2nc(CN)c3ccccc32)CC[NH2+]1 ZINC001246203519 987600794 /nfs/dbraw/zinc/60/07/94/987600794.db2.gz WSLQGDSMTGBUJK-MNOVXSKESA-N 1 3 244.342 1.808 20 0 BDADHO C[C@H]1C[C@H](n2nc(CN)c3ccccc32)CC[NH2+]1 ZINC001246203521 987600827 /nfs/dbraw/zinc/60/08/27/987600827.db2.gz WSLQGDSMTGBUJK-WDEREUQCSA-N 1 3 244.342 1.808 20 0 BDADHO CCCC[C@H](CO)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246212616 987610888 /nfs/dbraw/zinc/61/08/88/987610888.db2.gz VZBPKWIJDXLMLG-SDDRHHMPSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@H](CO)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246212616 987610893 /nfs/dbraw/zinc/61/08/93/987610893.db2.gz VZBPKWIJDXLMLG-SDDRHHMPSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CCC(=O)c2ccccc2)CN1 ZINC001246278119 987671701 /nfs/dbraw/zinc/67/17/01/987671701.db2.gz KICHCOQMGZSVID-GXTWGEPZSA-N 1 3 246.354 1.990 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278971 987673751 /nfs/dbraw/zinc/67/37/51/987673751.db2.gz COYPDEQGTCYBIX-BNOWGMLFSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)CCN1 ZINC001246278971 987673755 /nfs/dbraw/zinc/67/37/55/987673755.db2.gz COYPDEQGTCYBIX-BNOWGMLFSA-N 1 3 240.391 1.658 20 0 BDADHO CCCCOC(=O)CC[C@@H](C)NCC[C@H](C)[NH3+] ZINC001246307595 987708673 /nfs/dbraw/zinc/70/86/73/987708673.db2.gz YQJPBZQQJPLDAS-NWDGAFQWSA-N 1 3 244.379 1.825 20 0 BDADHO C[C@H]1CC[C@@H](Nc2ccc(CN)nc2)C[NH2+]1 ZINC001246328500 987736104 /nfs/dbraw/zinc/73/61/04/987736104.db2.gz YIPBYUJYJJZBNO-GXSJLCMTSA-N 1 3 220.320 1.093 20 0 BDADHO OC1CCC(CC[NH2+]C2CCNCC2)CC1 ZINC001246332770 987738278 /nfs/dbraw/zinc/73/82/78/987738278.db2.gz HWIAOEGTDYHQMM-UHFFFAOYSA-N 1 3 226.364 1.269 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)C1 ZINC001474499098 987740059 /nfs/dbraw/zinc/74/00/59/987740059.db2.gz KADGTLSJHGEVLN-MQYQWHSLSA-N 1 3 238.375 1.341 20 0 BDADHO C[C@@H]1C[C@H](NCCN2CCC(F)CC2)CC[NH2+]1 ZINC001246338676 987750401 /nfs/dbraw/zinc/75/04/01/987750401.db2.gz ADKBBGGCLPABHL-DGCLKSJQSA-N 1 3 243.370 1.150 20 0 BDADHO CC(C)(C[NH2+]C1CCNCC1)Cc1cccnc1 ZINC001246431541 987796812 /nfs/dbraw/zinc/79/68/12/987796812.db2.gz KPXWFIVTMVKFRE-UHFFFAOYSA-N 1 3 247.386 1.992 20 0 BDADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC34CNC4)C[C@@H]21 ZINC001246445509 987803908 /nfs/dbraw/zinc/80/39/08/987803908.db2.gz OTJHOJDTJHGIGB-MMWGEVLESA-N 1 3 206.333 1.373 20 0 BDADHO CC1(C)[C@@H]2C[C@@H](N[C@H]3CC34C[NH2+]C4)C[C@@H]21 ZINC001246445509 987803913 /nfs/dbraw/zinc/80/39/13/987803913.db2.gz OTJHOJDTJHGIGB-MMWGEVLESA-N 1 3 206.333 1.373 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460854 987820342 /nfs/dbraw/zinc/82/03/42/987820342.db2.gz KFOHMPZZMRTUFA-YVECIDJPSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246464305 987822124 /nfs/dbraw/zinc/82/21/24/987822124.db2.gz ZDBOBWPROVYZTA-CYDGBPFRSA-N 1 3 226.364 1.268 20 0 BDADHO Oc1ccc(CC2(NC3CC[NH2+]CC3)CC2)cc1 ZINC001246478125 987834142 /nfs/dbraw/zinc/83/41/42/987834142.db2.gz LIPMBBVEBNQXAC-UHFFFAOYSA-N 1 3 246.354 1.809 20 0 BDADHO Oc1ccc(CC2([NH2+]C3CCNCC3)CC2)cc1 ZINC001246478125 987834146 /nfs/dbraw/zinc/83/41/46/987834146.db2.gz LIPMBBVEBNQXAC-UHFFFAOYSA-N 1 3 246.354 1.809 20 0 BDADHO CC(C)(C)[C@H]1C[C@@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246525715 987879374 /nfs/dbraw/zinc/87/93/74/987879374.db2.gz KQFJLYIMQIDVML-WHOHXGKFSA-N 1 3 243.370 1.134 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246531354 987886982 /nfs/dbraw/zinc/88/69/82/987886982.db2.gz PWMOYYZMTSBCRJ-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246531354 987886985 /nfs/dbraw/zinc/88/69/85/987886985.db2.gz PWMOYYZMTSBCRJ-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CC(C)(C)[C@@H]1C[C@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246532839 987889043 /nfs/dbraw/zinc/88/90/43/987889043.db2.gz KQFJLYIMQIDVML-RHYQMDGZSA-N 1 3 243.370 1.134 20 0 BDADHO COC(=O)CCCC[C@@H](C)N1CC[C@@H]([NH3+])[C@H]1C ZINC001246542721 987909496 /nfs/dbraw/zinc/90/94/96/987909496.db2.gz KWQLWZYPGCYQRU-IJLUTSLNSA-N 1 3 242.363 1.530 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541083 987910976 /nfs/dbraw/zinc/91/09/76/987910976.db2.gz LMYQWBAKRUCXRZ-VXGBXAGGSA-N 1 3 212.337 1.369 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@@H]2CCCOCC2)CC1 ZINC001246541083 987910980 /nfs/dbraw/zinc/91/09/80/987910980.db2.gz LMYQWBAKRUCXRZ-VXGBXAGGSA-N 1 3 212.337 1.369 20 0 BDADHO C[C@H]1CC[N@@H+](C2CCNCC2)CC[C@@]1(C)O ZINC001246551185 987941237 /nfs/dbraw/zinc/94/12/37/987941237.db2.gz PPPVFLIZFUURMA-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1CC[N@H+](C2CCNCC2)CC[C@@]1(C)O ZINC001246551185 987941252 /nfs/dbraw/zinc/94/12/52/987941252.db2.gz PPPVFLIZFUURMA-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@H](N2CCOC[C@H](C)C2)CC[NH2+]1 ZINC001246551433 987945600 /nfs/dbraw/zinc/94/56/00/987945600.db2.gz MUZGLSWZSPBXGG-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO [NH3+]C[C@@H]1CN([C@@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557497 987978262 /nfs/dbraw/zinc/97/82/62/987978262.db2.gz LWWWNLNSTRUFKB-LMLFDSFASA-N 1 3 230.302 1.701 20 0 BDADHO CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560799 987997355 /nfs/dbraw/zinc/99/73/55/987997355.db2.gz TZLWQVWAMNNEHK-IGQOVBAYSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560799 987997362 /nfs/dbraw/zinc/99/73/62/987997362.db2.gz TZLWQVWAMNNEHK-IGQOVBAYSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@H](C)C[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560799 987997371 /nfs/dbraw/zinc/99/73/71/987997371.db2.gz TZLWQVWAMNNEHK-IGQOVBAYSA-N 1 3 242.407 1.841 20 0 BDADHO CC1(C)CCC([N@@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246562265 988001002 /nfs/dbraw/zinc/00/10/02/988001002.db2.gz XPHFYOIQFLHIOU-VXGBXAGGSA-N 1 3 226.364 1.349 20 0 BDADHO CC1(C)CCC([N@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246562265 988001013 /nfs/dbraw/zinc/00/10/13/988001013.db2.gz XPHFYOIQFLHIOU-VXGBXAGGSA-N 1 3 226.364 1.349 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581980 988116302 /nfs/dbraw/zinc/11/63/02/988116302.db2.gz LWGKEJROOBTJRU-FUDCBSFHSA-N 1 3 238.375 1.757 20 0 BDADHO NC[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001246581980 988116319 /nfs/dbraw/zinc/11/63/19/988116319.db2.gz LWGKEJROOBTJRU-FUDCBSFHSA-N 1 3 238.375 1.757 20 0 BDADHO CCCC1CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246583566 988121974 /nfs/dbraw/zinc/12/19/74/988121974.db2.gz JMEMYPRJIHJTHR-GNRIBBGQSA-N 1 3 240.391 1.597 20 0 BDADHO CCCC1CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246583566 988121985 /nfs/dbraw/zinc/12/19/85/988121985.db2.gz JMEMYPRJIHJTHR-GNRIBBGQSA-N 1 3 240.391 1.597 20 0 BDADHO CC(C)CCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586207 988144785 /nfs/dbraw/zinc/14/47/85/988144785.db2.gz ROHJQCLRVVRJRT-AGIUHOORSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)CCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586207 988144802 /nfs/dbraw/zinc/14/48/02/988144802.db2.gz ROHJQCLRVVRJRT-AGIUHOORSA-N 1 3 228.380 1.453 20 0 BDADHO CC1(C)C[N@H+](C2CCNCC2)[C@@](C)(CO)C1 ZINC001246588879 988157740 /nfs/dbraw/zinc/15/77/40/988157740.db2.gz LPEYIARCTWNOSR-CYBMUJFWSA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@@H+](C2CCNCC2)[C@@](C)(CO)C1 ZINC001246588879 988157752 /nfs/dbraw/zinc/15/77/52/988157752.db2.gz LPEYIARCTWNOSR-CYBMUJFWSA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@H+]([C@H]2CCCNC2)[C@](C)(CO)C1 ZINC001246591670 988176707 /nfs/dbraw/zinc/17/67/07/988176707.db2.gz WWDLVOAPPWQKKN-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@@H+]([C@H]2CCCNC2)[C@](C)(CO)C1 ZINC001246591670 988176709 /nfs/dbraw/zinc/17/67/09/988176709.db2.gz WWDLVOAPPWQKKN-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO CCC[C@H](CC)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246616852 988251626 /nfs/dbraw/zinc/25/16/26/988251626.db2.gz FSJCPSNNOHTYEJ-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO CCC[C@H](CC)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246616852 988251642 /nfs/dbraw/zinc/25/16/42/988251642.db2.gz FSJCPSNNOHTYEJ-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]1CC(N2CC[C@@H]3[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC001246636787 988323986 /nfs/dbraw/zinc/32/39/86/988323986.db2.gz WXRZBILFMHUNHE-VCDKRKBESA-N 1 3 224.348 1.379 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC001246641665 988351141 /nfs/dbraw/zinc/35/11/41/988351141.db2.gz WXRZBILFMHUNHE-NZEXEKPDSA-N 1 3 224.348 1.379 20 0 BDADHO C1C[C@]2(CO1)CCC[N@@H+](C1CCNCC1)C2 ZINC001246648908 988369565 /nfs/dbraw/zinc/36/95/65/988369565.db2.gz UDJWZQYSAUOHLG-CYBMUJFWSA-N 1 3 224.348 1.241 20 0 BDADHO C1C[C@]2(CO1)CCC[N@H+](C1CCNCC1)C2 ZINC001246648908 988369572 /nfs/dbraw/zinc/36/95/72/988369572.db2.gz UDJWZQYSAUOHLG-CYBMUJFWSA-N 1 3 224.348 1.241 20 0 BDADHO C1C[C@@H]2CC[N@@H+]([C@@H]3CCCNC3)C[C@@H]2C1 ZINC001246657440 988382420 /nfs/dbraw/zinc/38/24/20/988382420.db2.gz QMAHJCPQQJIMTA-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO C1C[C@@H]2CC[N@H+]([C@@H]3CCCNC3)C[C@@H]2C1 ZINC001246657440 988382428 /nfs/dbraw/zinc/38/24/28/988382428.db2.gz QMAHJCPQQJIMTA-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO CCCCN1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246787481 988469055 /nfs/dbraw/zinc/46/90/55/988469055.db2.gz DSHVDRREUZQUDE-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO CCOCC1CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 ZINC001246844024 988559538 /nfs/dbraw/zinc/55/95/38/988559538.db2.gz FRMOVPZUIRVDIU-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CCOCC1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246844024 988559544 /nfs/dbraw/zinc/55/95/44/988559544.db2.gz FRMOVPZUIRVDIU-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859624 988591446 /nfs/dbraw/zinc/59/14/46/988591446.db2.gz MCQSAYOBCKQKOL-DGORSVRFSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CN1 ZINC001246859624 988591458 /nfs/dbraw/zinc/59/14/58/988591458.db2.gz MCQSAYOBCKQKOL-DGORSVRFSA-N 1 3 212.312 1.559 20 0 BDADHO C1C[NH2+]C[C@H](N2CC3CCC(CC3)C2)C1 ZINC001246881149 988648860 /nfs/dbraw/zinc/64/88/60/988648860.db2.gz HFIZJNVWSJSATO-WXRRBKDZSA-N 1 3 208.349 1.860 20 0 BDADHO CN[C@@H]1CCN1[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC001246901434 988673622 /nfs/dbraw/zinc/67/36/22/988673622.db2.gz XPBFTAJQBMHCDR-TUAOUCFPSA-N 1 3 225.380 1.404 20 0 BDADHO CC[C@@H]1C[C@@H](N2CC[C@H]2NC)C[C@H](CC)[NH2+]1 ZINC001246899911 988674575 /nfs/dbraw/zinc/67/45/75/988674575.db2.gz QWZCISLUGVPGHQ-RNJOBUHISA-N 1 3 225.380 1.547 20 0 BDADHO CN[C@H]1CCN1C1CCC2(CCC[NH2+]C2)CC1 ZINC001246901497 988677081 /nfs/dbraw/zinc/67/70/81/988677081.db2.gz YIAXWSWUHBEDFS-ROKHWSDSSA-N 1 3 237.391 1.550 20 0 BDADHO CCN(CCn1ccnc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246917487 988716325 /nfs/dbraw/zinc/71/63/25/988716325.db2.gz DFHBZHXNUOZRIU-CHWSQXEVSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001118932738 988718088 /nfs/dbraw/zinc/71/80/88/988718088.db2.gz CHCKVXWYROSWQG-AEJSXWLSSA-N 1 3 200.351 1.019 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC001118932738 988718097 /nfs/dbraw/zinc/71/80/97/988718097.db2.gz CHCKVXWYROSWQG-AEJSXWLSSA-N 1 3 200.351 1.019 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)C[C@@H]1C ZINC001246980769 988809996 /nfs/dbraw/zinc/80/99/96/988809996.db2.gz SMYFBYCJTRUOMJ-HZSPNIEDSA-N 1 3 239.407 1.541 20 0 BDADHO CCN1CCN([C@H]2CC[NH2+][C@H](C)C2)C[C@H]1C ZINC001246998906 988832405 /nfs/dbraw/zinc/83/24/05/988832405.db2.gz HPIQXRZBQFQBQF-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3nc[nH]n3)CC2)CC1 ZINC001119259045 988868703 /nfs/dbraw/zinc/86/87/03/988868703.db2.gz IEFFSVDWKMRKMB-UHFFFAOYSA-N 1 3 249.362 1.113 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3nnc[nH]3)CC2)CC1 ZINC001119259045 988868710 /nfs/dbraw/zinc/86/87/10/988868710.db2.gz IEFFSVDWKMRKMB-UHFFFAOYSA-N 1 3 249.362 1.113 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC/C=C/C1CC1 ZINC001325743600 989247989 /nfs/dbraw/zinc/24/79/89/989247989.db2.gz PPSRGMKMRKJLLN-FTYDKLPRSA-N 1 3 208.349 1.930 20 0 BDADHO CC[C@@H](CO)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001119852920 989448716 /nfs/dbraw/zinc/44/87/16/989448716.db2.gz YSHZNXNWPYSSCS-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](CO)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001119852920 989448759 /nfs/dbraw/zinc/44/87/59/989448759.db2.gz YSHZNXNWPYSSCS-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](CO)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001119852920 989448778 /nfs/dbraw/zinc/44/87/78/989448778.db2.gz YSHZNXNWPYSSCS-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@@H+]1CCC[C@H](CNc2ccnc(CO)c2)C1 ZINC001120007045 989560059 /nfs/dbraw/zinc/56/00/59/989560059.db2.gz FUXRMGQYQCPMCG-GFCCVEGCSA-N 1 3 249.358 1.718 20 0 BDADHO CC[N@H+]1CCC[C@H](CNc2ccnc(CO)c2)C1 ZINC001120007045 989560077 /nfs/dbraw/zinc/56/00/77/989560077.db2.gz FUXRMGQYQCPMCG-GFCCVEGCSA-N 1 3 249.358 1.718 20 0 BDADHO Cn1cncc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001326687764 989652924 /nfs/dbraw/zinc/65/29/24/989652924.db2.gz KUCHTAPLCMCQGI-UHFFFAOYSA-N 1 3 248.374 1.386 20 0 BDADHO CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC001326688529 989653031 /nfs/dbraw/zinc/65/30/31/989653031.db2.gz SOBVYCRYRQUVEM-GRYCIOLGSA-N 1 3 241.379 1.103 20 0 BDADHO c1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccn1 ZINC001120784771 989880853 /nfs/dbraw/zinc/88/08/53/989880853.db2.gz UWRLELQKNJZERN-KBPBESRZSA-N 1 3 231.343 1.932 20 0 BDADHO c1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC001120784771 989880855 /nfs/dbraw/zinc/88/08/55/989880855.db2.gz UWRLELQKNJZERN-KBPBESRZSA-N 1 3 231.343 1.932 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001122073246 990221754 /nfs/dbraw/zinc/22/17/54/990221754.db2.gz DWHUFAHTVSWYPE-IRCOFANPSA-N 1 3 241.379 1.007 20 0 BDADHO CC[NH+]1CCC(CN2CC(O)(C(C)C)C2)CC1 ZINC001308806966 991147746 /nfs/dbraw/zinc/14/77/46/991147746.db2.gz FPEIJRQNRJEGJW-UHFFFAOYSA-N 1 3 240.391 1.421 20 0 BDADHO CCC1(CN(C)CCC[NH+](C)C)COC1 ZINC001202912870 991208894 /nfs/dbraw/zinc/20/88/94/991208894.db2.gz XCSQQXWPZAOYQI-UHFFFAOYSA-N 1 3 214.353 1.297 20 0 BDADHO CCC1(C[N@H+](C)CCCN2CCCC2)COC1 ZINC001202957304 991305617 /nfs/dbraw/zinc/30/56/17/991305617.db2.gz BYHJQDZQRATXLR-UHFFFAOYSA-N 1 3 240.391 1.831 20 0 BDADHO CCC1(C[N@@H+](C)CCCN2CCCC2)COC1 ZINC001202957304 991305622 /nfs/dbraw/zinc/30/56/22/991305622.db2.gz BYHJQDZQRATXLR-UHFFFAOYSA-N 1 3 240.391 1.831 20 0 BDADHO CCOC(=O)CC[C@@H](C)NC(C)(C)C[NH3+] ZINC001258472770 991439340 /nfs/dbraw/zinc/43/93/40/991439340.db2.gz HOBOBYZZCOGXPY-SECBINFHSA-N 1 3 216.325 1.045 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@H]1CN ZINC001258477639 991449475 /nfs/dbraw/zinc/44/94/75/991449475.db2.gz KMTWEAMZPHUCNE-QWRGUYRKSA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@H+]1CCC[C@H]1CN ZINC001258477639 991449480 /nfs/dbraw/zinc/44/94/80/991449480.db2.gz KMTWEAMZPHUCNE-QWRGUYRKSA-N 1 3 228.336 1.141 20 0 BDADHO C[C@H](Cc1cccnc1)NC(C)(C)C[NH3+] ZINC001258610325 991533998 /nfs/dbraw/zinc/53/39/98/991533998.db2.gz JXOCPHGLFMBJOB-SNVBAGLBSA-N 1 3 207.321 1.340 20 0 BDADHO CO[C@H](C)CNCC[C@H](C)[NH+]1CCCCC1 ZINC001560750958 991588182 /nfs/dbraw/zinc/58/81/82/991588182.db2.gz MJGXLYIAFAYWEZ-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CO[C@H](C)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC001560750958 991588196 /nfs/dbraw/zinc/58/81/96/991588196.db2.gz MJGXLYIAFAYWEZ-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCN(CCC[NH+](C)C)C[C@@H](C)OC ZINC001560811189 991611660 /nfs/dbraw/zinc/61/16/60/991611660.db2.gz BFTXQIKMHYIVMU-LLVKDONJSA-N 1 3 202.342 1.295 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)N[C@](N)(CC)CO ZINC001258902320 991896772 /nfs/dbraw/zinc/89/67/72/991896772.db2.gz RWRCYUHNPJVTSW-QWHCGFSZSA-N 1 3 245.411 1.144 20 0 BDADHO Cn1nccc1CN1CCCC2(CC[NH2+]CC2)C1 ZINC001261489878 992340188 /nfs/dbraw/zinc/34/01/88/992340188.db2.gz HTIUWGNXBQPGSQ-UHFFFAOYSA-N 1 3 248.374 1.386 20 0 BDADHO C(N[C@]12C[C@H]1COC21CCC1)[C@H]1CCC[NH2+]C1 ZINC001574799124 992910404 /nfs/dbraw/zinc/91/04/04/992910404.db2.gz CWGFGVXDFAKRTD-SGMGOOAPSA-N 1 3 236.359 1.287 20 0 BDADHO C(N[C@]12C[C@H]1COC21CCC1)[C@@H]1CCC[NH2+]C1 ZINC001574799121 992911287 /nfs/dbraw/zinc/91/12/87/992911287.db2.gz CWGFGVXDFAKRTD-MBNYWOFBSA-N 1 3 236.359 1.287 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC001262570185 992924346 /nfs/dbraw/zinc/92/43/46/992924346.db2.gz PMJFKNBAHYMOIJ-OBJOEFQTSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+]CCOCCF ZINC001575130293 992992268 /nfs/dbraw/zinc/99/22/68/992992268.db2.gz JBUNBOGASVKCSE-NSHDSACASA-N 1 3 234.359 1.716 20 0 BDADHO COC1CCN(CCNc2cc[nH+]cc2)CC1 ZINC001262671492 993012711 /nfs/dbraw/zinc/01/27/11/993012711.db2.gz GMTWWMSXYGSMQA-UHFFFAOYSA-N 1 3 235.331 1.026 20 0 BDADHO CC(C)CC[C@H](O)CN[C@@H](C[NH3+])C1CC1 ZINC001575566272 993071859 /nfs/dbraw/zinc/07/18/59/993071859.db2.gz SLUZDJJWCRCUFL-RYUDHWBXSA-N 1 3 214.353 1.110 20 0 BDADHO C[C@@H](CCN)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962903 993142733 /nfs/dbraw/zinc/14/27/33/993142733.db2.gz ZKOBNWLYPRTJIX-YFKTTZPYSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@H](CCO)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC001575967390 993143376 /nfs/dbraw/zinc/14/33/76/993143376.db2.gz MXGFJQFHBRDZKE-TZMCWYRMSA-N 1 3 236.359 1.307 20 0 BDADHO C[C@H](CCN)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC001575962902 993143691 /nfs/dbraw/zinc/14/36/91/993143691.db2.gz ZKOBNWLYPRTJIX-RHYQMDGZSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@H](CNCC12CC(C1)C[NH2+]2)N1CCCCC1 ZINC001576032254 993158483 /nfs/dbraw/zinc/15/84/83/993158483.db2.gz AJUXOXOXFGHOIA-IYXRBSQSSA-N 1 3 237.391 1.202 20 0 BDADHO CO[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](N)CC2)C1 ZINC000378665154 993198956 /nfs/dbraw/zinc/19/89/56/993198956.db2.gz FPNRRQKTWLYURO-YNEHKIRRSA-N 1 3 226.364 1.757 20 0 BDADHO CO[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H](N)CC2)C1 ZINC000378665154 993198960 /nfs/dbraw/zinc/19/89/60/993198960.db2.gz FPNRRQKTWLYURO-YNEHKIRRSA-N 1 3 226.364 1.757 20 0 BDADHO CCCN1CCC([NH2+]CC2CN(C)C2)CC1 ZINC000379435987 993242500 /nfs/dbraw/zinc/24/25/00/993242500.db2.gz HGSJWEPJXZIITF-UHFFFAOYSA-N 1 3 225.380 1.012 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC001576384790 993284747 /nfs/dbraw/zinc/28/47/47/993284747.db2.gz WVJCHQYNSDOWFN-BBBLOLIVSA-N 1 3 247.333 1.041 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@H]1CCN(CC(F)F)C1 ZINC001576385056 993290551 /nfs/dbraw/zinc/29/05/51/993290551.db2.gz WVJCHQYNSDOWFN-IVZWLZJFSA-N 1 3 247.333 1.041 20 0 BDADHO CCOCC1CC[NH+](C[C@H](C)N)CC1 ZINC000380088293 993309421 /nfs/dbraw/zinc/30/94/21/993309421.db2.gz IEHWRFUJXDDXTH-JTQLQIEISA-N 1 3 200.326 1.082 20 0 BDADHO C[C@]1(NCCC[NH2+]C2CC2)CCO[C@@H]1C1CC1 ZINC001576545531 993339515 /nfs/dbraw/zinc/33/95/15/993339515.db2.gz NNDSSCFCROUGJL-KGLIPLIRSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@]1([NH2+]CCCNC2CC2)CCO[C@@H]1C1CC1 ZINC001576545531 993339519 /nfs/dbraw/zinc/33/95/19/993339519.db2.gz NNDSSCFCROUGJL-KGLIPLIRSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1CCC[C@]1(O)C[NH2+]CC1(CN)CCC1 ZINC001576681101 993394242 /nfs/dbraw/zinc/39/42/42/993394242.db2.gz ZXHYBVSMLYLRLT-AAEUAGOBSA-N 1 3 226.364 1.256 20 0 BDADHO C[C@H]1CCC[C@H]1C[NH2+]CC12CC(C1)CN2 ZINC001576681777 993394335 /nfs/dbraw/zinc/39/43/35/993394335.db2.gz NGEVARSRVMXKIU-QCXCNERSSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@H]1CCC[C@H]1CNCC12CC(C1)C[NH2+]2 ZINC001576681777 993394341 /nfs/dbraw/zinc/39/43/41/993394341.db2.gz NGEVARSRVMXKIU-QCXCNERSSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC001576729683 993409525 /nfs/dbraw/zinc/40/95/25/993409525.db2.gz VZVYCZBQXICMQA-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@@H]1O ZINC001576729684 993409814 /nfs/dbraw/zinc/40/98/14/993409814.db2.gz VZVYCZBQXICMQA-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@](C)(CN1CCC[C@]2(CC[NH2+]C2)C1)OC ZINC001576949877 993465146 /nfs/dbraw/zinc/46/51/46/993465146.db2.gz TYDFGKYDAUQOOJ-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@@](C)(O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001576959318 993468427 /nfs/dbraw/zinc/46/84/27/993468427.db2.gz FFHIQPYUUVOWPX-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@@H](C)[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC001576961014 993471088 /nfs/dbraw/zinc/47/10/88/993471088.db2.gz KLHTZZWSPFYAET-FVCCEPFGSA-N 1 3 226.364 1.199 20 0 BDADHO CCC(CC)(CN)C[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC001577052441 993490015 /nfs/dbraw/zinc/49/00/15/993490015.db2.gz WIQSPNKRGBJVGZ-XYPYZODXSA-N 1 3 242.363 1.293 20 0 BDADHO CCC(CC)(C[NH3+])CN[C@H]1C[C@H](C(=O)OC)C1 ZINC001577052441 993490022 /nfs/dbraw/zinc/49/00/22/993490022.db2.gz WIQSPNKRGBJVGZ-XYPYZODXSA-N 1 3 242.363 1.293 20 0 BDADHO CCC(CC)(CN)[NH2+]Cc1cn(C)nc1C ZINC001577059822 993492415 /nfs/dbraw/zinc/49/24/15/993492415.db2.gz XKJKJNZRQCRDKS-UHFFFAOYSA-N 1 3 224.352 1.336 20 0 BDADHO CC[C@H](C[NH2+]C[C@H](CN)C(C)C)C(=O)OC ZINC001577091238 993500180 /nfs/dbraw/zinc/50/01/80/993500180.db2.gz ZHUSXJVOKICKHF-MNOVXSKESA-N 1 3 230.352 1.006 20 0 BDADHO Cc1ccncc1CN1CCCC[C@@H](C[NH3+])C1 ZINC000383665677 993511608 /nfs/dbraw/zinc/51/16/08/993511608.db2.gz MWTZNRSIVGMPOE-ZDUSSCGKSA-N 1 3 233.359 1.951 20 0 BDADHO CCCC[C@H](C(=O)OC)N1CC[C@@H](CC[NH3+])C1 ZINC001577387952 993637844 /nfs/dbraw/zinc/63/78/44/993637844.db2.gz CNOHTNBKUHXDFD-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000386265337 993686103 /nfs/dbraw/zinc/68/61/03/993686103.db2.gz WAHJFHHJQKTZSC-KGLIPLIRSA-N 1 3 246.354 1.776 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000386265337 993686107 /nfs/dbraw/zinc/68/61/07/993686107.db2.gz WAHJFHHJQKTZSC-KGLIPLIRSA-N 1 3 246.354 1.776 20 0 BDADHO CC[N@@H+]1CC[C@H](n2c(C)nc3c2CNCC3)C1 ZINC000389617525 993756364 /nfs/dbraw/zinc/75/63/64/993756364.db2.gz ZTLCEOOGGLRTPA-NSHDSACASA-N 1 3 234.347 1.104 20 0 BDADHO CC[N@H+]1CC[C@H](n2c(C)nc3c2CNCC3)C1 ZINC000389617525 993756369 /nfs/dbraw/zinc/75/63/69/993756369.db2.gz ZTLCEOOGGLRTPA-NSHDSACASA-N 1 3 234.347 1.104 20 0 BDADHO CN1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392765772 993883733 /nfs/dbraw/zinc/88/37/33/993883733.db2.gz SPWYAKUIPSXKPP-GFCCVEGCSA-N 1 3 235.331 1.361 20 0 BDADHO C[N@@H+]1CCC[C@@H](NCc2ccc(=O)[nH]c2)CC1 ZINC000392765772 993883737 /nfs/dbraw/zinc/88/37/37/993883737.db2.gz SPWYAKUIPSXKPP-GFCCVEGCSA-N 1 3 235.331 1.361 20 0 BDADHO C[N@H+]1CCC[C@@H](NCc2ccc(=O)[nH]c2)CC1 ZINC000392765772 993883740 /nfs/dbraw/zinc/88/37/40/993883740.db2.gz SPWYAKUIPSXKPP-GFCCVEGCSA-N 1 3 235.331 1.361 20 0 BDADHO CC(C)O[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701668403 993902613 /nfs/dbraw/zinc/90/26/13/993902613.db2.gz QHARUQFOSZXJNW-PIGZVRMJSA-N 1 3 238.375 1.769 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422906189 398157255 /nfs/dbraw/zinc/15/72/55/398157255.db2.gz UIJBPBOGDABNEZ-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOCC1CCCC1 ZINC000313278284 398182140 /nfs/dbraw/zinc/18/21/40/398182140.db2.gz FQGTXZIBHKHEQI-KGLIPLIRSA-N 1 3 240.391 1.910 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313278284 398182144 /nfs/dbraw/zinc/18/21/44/398182144.db2.gz FQGTXZIBHKHEQI-KGLIPLIRSA-N 1 3 240.391 1.910 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@H](O)C1CC1 ZINC000162562122 538923799 /nfs/dbraw/zinc/92/37/99/538923799.db2.gz YFMNHFXIYORCQM-STQMWFEESA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@H](O)C1CC1 ZINC000162562122 538923800 /nfs/dbraw/zinc/92/38/00/538923800.db2.gz YFMNHFXIYORCQM-STQMWFEESA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1OCCN(CCCC2CC[NH2+]CC2)[C@H]1C ZINC000380588358 398201267 /nfs/dbraw/zinc/20/12/67/398201267.db2.gz SCBNHUFZRDZPPM-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cc(CN2CCC[C@@H](CC[NH3+])C2)on1 ZINC000069724160 398213984 /nfs/dbraw/zinc/21/39/84/398213984.db2.gz PFNUOIKBYHCJAU-NSHDSACASA-N 1 3 223.320 1.544 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000381009217 398218813 /nfs/dbraw/zinc/21/88/13/398218813.db2.gz ROPPZXNOPPVMRA-JQWIXIFHSA-N 1 3 222.336 1.011 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000082581088 136221711 /nfs/dbraw/zinc/22/17/11/136221711.db2.gz HWLYQCBYACABFC-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO CCC[NH2+][C@@H](C)C(=O)N(CCC)CCN(C)C ZINC000517152239 259302611 /nfs/dbraw/zinc/30/26/11/259302611.db2.gz MXRVBZIGHCDCNV-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132973791 398232555 /nfs/dbraw/zinc/23/25/55/398232555.db2.gz LJEVZWOJDREIBG-WZRBSPASSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132973791 398232559 /nfs/dbraw/zinc/23/25/59/398232559.db2.gz LJEVZWOJDREIBG-WZRBSPASSA-N 1 3 241.379 1.103 20 0 BDADHO CCC(CC)C[NH2+]CC1(O)CCN(C)CC1 ZINC000336740313 168360119 /nfs/dbraw/zinc/36/01/19/168360119.db2.gz QAUKHFYMAIXUBS-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H](C)[C@H](CNCCC[NH+](C)C)OC ZINC000381267026 398242062 /nfs/dbraw/zinc/24/20/62/398242062.db2.gz GNZJKDRBUSRXFK-NEPJUHHUSA-N 1 3 216.369 1.589 20 0 BDADHO CC(C)N(C)CC[NH2+]C1CCN(C2CC2)CC1 ZINC000336713908 398240531 /nfs/dbraw/zinc/24/05/31/398240531.db2.gz ONBJQWMIFCKREE-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@H]1CCSC1 ZINC000166561426 361852210 /nfs/dbraw/zinc/85/22/10/361852210.db2.gz CWVXEXUWRWFVEP-NSHDSACASA-N 1 3 216.394 1.812 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@H]1CCSC1 ZINC000166561426 361852215 /nfs/dbraw/zinc/85/22/15/361852215.db2.gz CWVXEXUWRWFVEP-NSHDSACASA-N 1 3 216.394 1.812 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCSC1 ZINC000166561426 361852218 /nfs/dbraw/zinc/85/22/18/361852218.db2.gz CWVXEXUWRWFVEP-NSHDSACASA-N 1 3 216.394 1.812 20 0 BDADHO C[NH+]1CCC(CNCc2ccncc2F)CC1 ZINC000449131518 398278526 /nfs/dbraw/zinc/27/85/26/398278526.db2.gz NHFLQEDQKNGGRB-UHFFFAOYSA-N 1 3 237.322 1.652 20 0 BDADHO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)[C@@H]1CCCNC1 ZINC000583988668 342829901 /nfs/dbraw/zinc/82/99/01/342829901.db2.gz PCBHIYZCNCPQCB-YNEHKIRRSA-N 1 3 242.407 1.761 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C)[C@H](C)C1 ZINC000167330726 136245499 /nfs/dbraw/zinc/24/54/99/136245499.db2.gz OKJUPXFJWPLMJC-UPJWGTAASA-N 1 3 227.396 1.256 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000335595012 536740248 /nfs/dbraw/zinc/74/02/48/536740248.db2.gz MDQWWNCNNPYCPP-GFJIZPEISA-N 1 3 240.391 1.922 20 0 BDADHO CSC1(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000235118628 342987205 /nfs/dbraw/zinc/98/72/05/342987205.db2.gz FNYQQTIQPLKSMP-ZJUUUORDSA-N 1 3 214.378 1.742 20 0 BDADHO CSC1(CN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000235118628 342987208 /nfs/dbraw/zinc/98/72/08/342987208.db2.gz FNYQQTIQPLKSMP-ZJUUUORDSA-N 1 3 214.378 1.742 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000236303850 343091750 /nfs/dbraw/zinc/09/17/50/343091750.db2.gz ROZWIIOHVIXSBP-IJLUTSLNSA-N 1 3 212.337 1.273 20 0 BDADHO COCC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062079371 136272024 /nfs/dbraw/zinc/27/20/24/136272024.db2.gz MVQRHWBRCGSAPA-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](C(=O)NCCCC[NH3+])[C@H](N)c1ccccc1 ZINC000131715007 343184207 /nfs/dbraw/zinc/18/42/07/343184207.db2.gz WMJUDLLDUDTSIH-AAEUAGOBSA-N 1 3 249.358 1.178 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215383 343151173 /nfs/dbraw/zinc/15/11/73/343151173.db2.gz ZRWOGAVGFSURHG-CHWSQXEVSA-N 1 3 234.343 1.794 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCc2ccc(O)cc2)C1 ZINC000093215383 343151175 /nfs/dbraw/zinc/15/11/75/343151175.db2.gz ZRWOGAVGFSURHG-CHWSQXEVSA-N 1 3 234.343 1.794 20 0 BDADHO Cc1ccc([O-])c(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000091996169 343153287 /nfs/dbraw/zinc/15/32/87/343153287.db2.gz KQZYTKMJIXEAFG-UHFFFAOYSA-N 1 3 249.358 1.656 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCCCC[C@H](N)C2)O1 ZINC000634687915 343245609 /nfs/dbraw/zinc/24/56/09/343245609.db2.gz CXMLMCSGLYLOTI-AGIUHOORSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCCCC[C@H](N)C2)O1 ZINC000634687915 343245610 /nfs/dbraw/zinc/24/56/10/343245610.db2.gz CXMLMCSGLYLOTI-AGIUHOORSA-N 1 3 226.364 1.757 20 0 BDADHO CC(C)COCCN(C)CC(C)(C)C[NH3+] ZINC000232635195 136279421 /nfs/dbraw/zinc/27/94/21/136279421.db2.gz AJHVHTLBHSTRMP-UHFFFAOYSA-N 1 3 216.369 1.576 20 0 BDADHO C[C@@H](N)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217870 136309978 /nfs/dbraw/zinc/30/99/78/136309978.db2.gz BVLRQCZWGMHSIS-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H](N)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217870 136309979 /nfs/dbraw/zinc/30/99/79/136309979.db2.gz BVLRQCZWGMHSIS-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CC3CC3)CC[C@H]21 ZINC000247974603 136373490 /nfs/dbraw/zinc/37/34/90/136373490.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CC3CC3)CC[C@H]21 ZINC000247974603 136373491 /nfs/dbraw/zinc/37/34/91/136373491.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC3CC3)CC[C@H]21 ZINC000247974603 136373492 /nfs/dbraw/zinc/37/34/92/136373492.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC000247974603 136373493 /nfs/dbraw/zinc/37/34/93/136373493.db2.gz HPPXMLGVMLDJHV-QWHCGFSZSA-N 1 3 208.349 1.813 20 0 BDADHO CCOCCCN1CCC[C@H](C[NH2+]C)C1 ZINC000083551670 343490083 /nfs/dbraw/zinc/49/00/83/343490083.db2.gz OQNOJFUZVYHXNA-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CCCN)C12CCC2 ZINC000083684778 343496160 /nfs/dbraw/zinc/49/61/60/343496160.db2.gz PCTQLCSVPWRHAL-QWRGUYRKSA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH3+])C12CCC2 ZINC000083684778 343496162 /nfs/dbraw/zinc/49/61/62/343496162.db2.gz PCTQLCSVPWRHAL-QWRGUYRKSA-N 1 3 212.337 1.273 20 0 BDADHO C([NH2+]C[C@H]1CCCNC1)[C@H]1CCCOC1 ZINC000087646745 343656151 /nfs/dbraw/zinc/65/61/51/343656151.db2.gz QZCMXWYKZUIMKS-NWDGAFQWSA-N 1 3 212.337 1.002 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC1(C)COC1 ZINC000625791559 344075588 /nfs/dbraw/zinc/07/55/88/344075588.db2.gz NHRGLEWWHGYBLR-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC1(C)COC1 ZINC000625791559 344075589 /nfs/dbraw/zinc/07/55/89/344075589.db2.gz NHRGLEWWHGYBLR-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732431 344107181 /nfs/dbraw/zinc/10/71/81/344107181.db2.gz GOYMGQFSADZTDE-QJPTWQEYSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733339 344113220 /nfs/dbraw/zinc/11/32/20/344113220.db2.gz CXCUKIKIAALYOH-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000130298769 344129114 /nfs/dbraw/zinc/12/91/14/344129114.db2.gz MGUVFLMYACCPLU-CYBMUJFWSA-N 1 3 249.358 1.102 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000622044871 344229256 /nfs/dbraw/zinc/22/92/56/344229256.db2.gz WLIWSEYHYSLEHE-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000092133675 344289446 /nfs/dbraw/zinc/28/94/46/344289446.db2.gz JRNFTEAOWMOOQW-NSHDSACASA-N 1 3 249.358 1.542 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+](C)CCCN)CCO1 ZINC000381239155 344241619 /nfs/dbraw/zinc/24/16/19/344241619.db2.gz MPRLVWSYZBBEGR-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+](C)CCCN)CCO1 ZINC000381239155 344241622 /nfs/dbraw/zinc/24/16/22/344241622.db2.gz MPRLVWSYZBBEGR-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CC[C@@H]1C[C@H](CN(C)CCC[NH3+])CCO1 ZINC000381239155 344241624 /nfs/dbraw/zinc/24/16/24/344241624.db2.gz MPRLVWSYZBBEGR-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CNCc1ccccc1NC(=O)CC[NH2+]C(C)C ZINC000131633163 344318448 /nfs/dbraw/zinc/31/84/48/344318448.db2.gz PRDNZIUVFPBCDK-UHFFFAOYSA-N 1 3 249.358 1.733 20 0 BDADHO CC(C)N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000036190218 344332115 /nfs/dbraw/zinc/33/21/15/344332115.db2.gz SLHLAKJKPFXYCM-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO COC(=O)CCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000600709087 344360937 /nfs/dbraw/zinc/36/09/37/344360937.db2.gz ODXITQHHEAMVCL-CYBMUJFWSA-N 1 3 240.347 1.015 20 0 BDADHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)N ZINC000037812231 344591055 /nfs/dbraw/zinc/59/10/55/344591055.db2.gz SKIPJFYDDCIZON-GFCCVEGCSA-N 1 3 243.395 1.160 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726567 192075563 /nfs/dbraw/zinc/07/55/63/192075563.db2.gz LJVZVUQDZNIGEK-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000127726567 192075565 /nfs/dbraw/zinc/07/55/65/192075565.db2.gz LJVZVUQDZNIGEK-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO Cc1cnc(CCN[C@H]2CCCC[C@@H]2C[NH3+])nc1 ZINC000578231068 344737206 /nfs/dbraw/zinc/73/72/06/344737206.db2.gz AEDQRHWVDJWZBH-OLZOCXBDSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2CN)nc1 ZINC000578231068 344737207 /nfs/dbraw/zinc/73/72/07/344737207.db2.gz AEDQRHWVDJWZBH-OLZOCXBDSA-N 1 3 248.374 1.435 20 0 BDADHO CN1CCC(O)(C[NH2+]C2CCCCCC2)CC1 ZINC000077450300 344824613 /nfs/dbraw/zinc/82/46/13/344824613.db2.gz XZXISWOPHXIVGZ-UHFFFAOYSA-N 1 3 240.391 1.756 20 0 BDADHO CC[C@H](C)[C@H](C)NC[C@@]1(COC)CCC[NH2+]1 ZINC000318834359 323083053 /nfs/dbraw/zinc/08/30/53/323083053.db2.gz AMCDKZHONGXYCH-RWMBFGLXSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)[C@@H](CN)C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000634995447 345185310 /nfs/dbraw/zinc/18/53/10/345185310.db2.gz FFJWHVUYBSKJTQ-FRRDWIJNSA-N 1 3 227.396 1.134 20 0 BDADHO CC(C)[C@@H](CN)C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000634995447 345185313 /nfs/dbraw/zinc/18/53/13/345185313.db2.gz FFJWHVUYBSKJTQ-FRRDWIJNSA-N 1 3 227.396 1.134 20 0 BDADHO COc1ccc(C[NH2+][C@@H](C)CCN(C)C)cn1 ZINC000157151850 345246899 /nfs/dbraw/zinc/24/68/99/345246899.db2.gz HTXFLXZLKOLJKG-NSHDSACASA-N 1 3 237.347 1.520 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1CN ZINC000635003074 345205349 /nfs/dbraw/zinc/20/53/49/345205349.db2.gz FPNDGGXNKDZKEX-QJPTWQEYSA-N 1 3 214.353 1.255 20 0 BDADHO Cc1nccnc1[C@@H](C)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000635003302 345205401 /nfs/dbraw/zinc/20/54/01/345205401.db2.gz BQUBJHRQJZBNSV-JHJVBQTASA-N 1 3 248.374 1.953 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)[C@@H](C)O1 ZINC000635005433 345209119 /nfs/dbraw/zinc/20/91/19/345209119.db2.gz NNDNKKMNURGBQU-CLPYTZEMSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@@H]2C)[C@@H](C)O1 ZINC000635005433 345209120 /nfs/dbraw/zinc/20/91/20/345209120.db2.gz NNDNKKMNURGBQU-CLPYTZEMSA-N 1 3 226.364 1.530 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012509 345214271 /nfs/dbraw/zinc/21/42/71/345214271.db2.gz MUUZYTPJYHFCSS-CABCVRRESA-N 1 3 246.354 1.729 20 0 BDADHO CC[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008871 345216850 /nfs/dbraw/zinc/21/68/50/345216850.db2.gz LAIUPPUKSFTFGW-LLVKDONJSA-N 1 3 234.347 1.702 20 0 BDADHO CC[C@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000381297251 345262247 /nfs/dbraw/zinc/26/22/47/345262247.db2.gz GXWOLIPVXNJJLB-ZDUSSCGKSA-N 1 3 226.364 1.221 20 0 BDADHO Fc1ccc(OCC[NH2+]C2CCNCC2)cc1 ZINC000166102608 345720886 /nfs/dbraw/zinc/72/08/86/345720886.db2.gz FNOLZHPHZPKEJL-UHFFFAOYSA-N 1 3 238.306 1.546 20 0 BDADHO OC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000159979767 345768138 /nfs/dbraw/zinc/76/81/38/345768138.db2.gz KIQNOLREJAFVAF-NEPJUHHUSA-N 1 3 224.348 1.118 20 0 BDADHO OC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000159979767 345768140 /nfs/dbraw/zinc/76/81/40/345768140.db2.gz KIQNOLREJAFVAF-NEPJUHHUSA-N 1 3 224.348 1.118 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159980933 345769211 /nfs/dbraw/zinc/76/92/11/345769211.db2.gz XPNRCKVGFIECDV-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159980933 345769214 /nfs/dbraw/zinc/76/92/14/345769214.db2.gz XPNRCKVGFIECDV-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H](CO)Cc2ccccc2)C1 ZINC000093216082 345857973 /nfs/dbraw/zinc/85/79/73/345857973.db2.gz FSDRREZNGRPVKW-RRFJBIMHSA-N 1 3 248.370 1.450 20 0 BDADHO Cc1cc(N2C[C@@H](C)N(CCO)C[C@@H]2C)cc[nH+]1 ZINC000418991985 192091937 /nfs/dbraw/zinc/09/19/37/192091937.db2.gz FJZZYBHQENVMTH-OLZOCXBDSA-N 1 3 249.358 1.281 20 0 BDADHO C[C@@H]1C[C@H](NC2C[NH2+]C2)CN1Cc1ccccc1 ZINC000307707844 345926515 /nfs/dbraw/zinc/92/65/15/345926515.db2.gz ZVLDAQXNAAUMPE-OCCSQVGLSA-N 1 3 245.370 1.211 20 0 BDADHO CC[NH+](CC)CC[C@@H](CO)NCC(C)(C)C ZINC000641770996 362708488 /nfs/dbraw/zinc/70/84/88/362708488.db2.gz BCQXQEOZFLTTCX-LBPRGKRZSA-N 1 3 230.396 1.715 20 0 BDADHO Cc1cccc(C[N@@H+]2CCCO[C@@H](CN)C2)c1C ZINC000313345291 179074960 /nfs/dbraw/zinc/07/49/60/179074960.db2.gz FJJOMIJDVIKWJB-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1cccc(C[N@H+]2CCCO[C@@H](CN)C2)c1C ZINC000313345291 179074961 /nfs/dbraw/zinc/07/49/61/179074961.db2.gz FJJOMIJDVIKWJB-HNNXBMFYSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1cccc(CN2CC[C@H](C[NH3+])C2)c1 ZINC000011891266 179081980 /nfs/dbraw/zinc/08/19/80/179081980.db2.gz BDSHSISUPPUKTE-CYBMUJFWSA-N 1 3 204.317 1.776 20 0 BDADHO [NH3+]CCCCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000580072086 346512151 /nfs/dbraw/zinc/51/21/51/346512151.db2.gz LNMZAKONWIUIML-UHFFFAOYSA-N 1 3 247.342 1.400 20 0 BDADHO FCCCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000380203045 346737784 /nfs/dbraw/zinc/73/77/84/346737784.db2.gz RPSUVHGMYSMSQS-ZDUSSCGKSA-N 1 3 243.370 1.106 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000577177290 365858392 /nfs/dbraw/zinc/85/83/92/365858392.db2.gz PQEVSQOKNOJRJP-SECBINFHSA-N 1 3 233.315 1.356 20 0 BDADHO C[C@H](CCCO)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000087358846 365862312 /nfs/dbraw/zinc/86/23/12/365862312.db2.gz WEALGBUWPDUOEY-OUAUKWLOSA-N 1 3 200.326 1.007 20 0 BDADHO C1=CCN(CCOCC[N@H+]2CC=CCC2)CC1 ZINC000679323719 488337393 /nfs/dbraw/zinc/33/73/93/488337393.db2.gz UZOWPTFCJLUCIF-UHFFFAOYSA-N 1 3 236.359 1.527 20 0 BDADHO C1=CCN(CCOCC[N@@H+]2CC=CCC2)CC1 ZINC000679323719 488337394 /nfs/dbraw/zinc/33/73/94/488337394.db2.gz UZOWPTFCJLUCIF-UHFFFAOYSA-N 1 3 236.359 1.527 20 0 BDADHO C[N@H+](CCCN)CCCc1ccccc1 ZINC000019834744 347360528 /nfs/dbraw/zinc/36/05/28/347360528.db2.gz UAVVEFHZIGDBJF-UHFFFAOYSA-N 1 3 206.333 1.900 20 0 BDADHO C[N@@H+](CCCN)CCCc1ccccc1 ZINC000019834744 347360531 /nfs/dbraw/zinc/36/05/31/347360531.db2.gz UAVVEFHZIGDBJF-UHFFFAOYSA-N 1 3 206.333 1.900 20 0 BDADHO Cc1ccc(C[NH2+]CC2(N)CCOCC2)s1 ZINC000149797147 347521322 /nfs/dbraw/zinc/52/13/22/347521322.db2.gz JFWIFVHIIIRGBL-UHFFFAOYSA-N 1 3 240.372 1.654 20 0 BDADHO CCOC(=O)CC[C@@H]1CCCN(CCC[NH3+])C1 ZINC000591272484 347636748 /nfs/dbraw/zinc/63/67/48/347636748.db2.gz UVPUANLOZQYZTQ-LBPRGKRZSA-N 1 3 242.363 1.391 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CCC[NH2+]CC1 ZINC000591278598 347637345 /nfs/dbraw/zinc/63/73/45/347637345.db2.gz WQLADVMZINHJBE-LLVKDONJSA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@@H](NC[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581386 347678881 /nfs/dbraw/zinc/67/88/81/347678881.db2.gz SZDJRNLPUGLBCE-VHSXEESVSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414960287 323152329 /nfs/dbraw/zinc/15/23/29/323152329.db2.gz YBZNRRDXUDVMHN-GARJFASQSA-N 1 3 200.326 1.142 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414960287 323152330 /nfs/dbraw/zinc/15/23/30/323152330.db2.gz YBZNRRDXUDVMHN-GARJFASQSA-N 1 3 200.326 1.142 20 0 BDADHO CCCCN(C)C[C@H](O)C[N@H+](C)CC ZINC000308454120 347669064 /nfs/dbraw/zinc/66/90/64/347669064.db2.gz AVFPVQYEKNXFBW-LLVKDONJSA-N 1 3 202.342 1.031 20 0 BDADHO CCCCN(C)C[C@H](O)C[N@@H+](C)CC ZINC000308454120 347669068 /nfs/dbraw/zinc/66/90/68/347669068.db2.gz AVFPVQYEKNXFBW-LLVKDONJSA-N 1 3 202.342 1.031 20 0 BDADHO CSCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000591567786 347670623 /nfs/dbraw/zinc/67/06/23/347670623.db2.gz DHUFAXFAJHJDDJ-ZJUUUORDSA-N 1 3 202.367 1.327 20 0 BDADHO CSCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000591567786 347670626 /nfs/dbraw/zinc/67/06/26/347670626.db2.gz DHUFAXFAJHJDDJ-ZJUUUORDSA-N 1 3 202.367 1.327 20 0 BDADHO CSCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000591567784 347671076 /nfs/dbraw/zinc/67/10/76/347671076.db2.gz DHUFAXFAJHJDDJ-UWVGGRQHSA-N 1 3 202.367 1.327 20 0 BDADHO CSCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000591567784 347671079 /nfs/dbraw/zinc/67/10/79/347671079.db2.gz DHUFAXFAJHJDDJ-UWVGGRQHSA-N 1 3 202.367 1.327 20 0 BDADHO COC(=O)CCN(CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000592493572 347787805 /nfs/dbraw/zinc/78/78/05/347787805.db2.gz VPRBKIGAPCCIIG-LBPRGKRZSA-N 1 3 242.363 1.117 20 0 BDADHO Cc1ccccc1[C@H](C)N(C)CCOCC[NH3+] ZINC000357027190 179334841 /nfs/dbraw/zinc/33/48/41/179334841.db2.gz KKDDLPBBDZANPK-ZDUSSCGKSA-N 1 3 236.359 1.963 20 0 BDADHO COc1ccc(C[NH2+]C[C@H](N)C(C)C)cc1 ZINC000203733135 348208658 /nfs/dbraw/zinc/20/86/58/348208658.db2.gz PKIUNVJQWHQCOA-ZDUSSCGKSA-N 1 3 222.332 1.768 20 0 BDADHO Cc1cccnc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000161771785 179374454 /nfs/dbraw/zinc/37/44/54/179374454.db2.gz DGKBZFXPQCPJNW-GFCCVEGCSA-N 1 3 233.359 1.949 20 0 BDADHO CC[C@@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000419316540 192121537 /nfs/dbraw/zinc/12/15/37/192121537.db2.gz XAYVMLLRISSJAA-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000419316540 192121538 /nfs/dbraw/zinc/12/15/38/192121538.db2.gz XAYVMLLRISSJAA-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@@H](CN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000419316540 192121540 /nfs/dbraw/zinc/12/15/40/192121540.db2.gz XAYVMLLRISSJAA-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497129 362920741 /nfs/dbraw/zinc/92/07/41/362920741.db2.gz YEHJCAWXROBTPW-SDDRHHMPSA-N 1 3 240.391 1.608 20 0 BDADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2(C)C)CC1(C)C ZINC000623497129 362920747 /nfs/dbraw/zinc/92/07/47/362920747.db2.gz YEHJCAWXROBTPW-SDDRHHMPSA-N 1 3 240.391 1.608 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623503780 362927384 /nfs/dbraw/zinc/92/73/84/362927384.db2.gz NRVFHLGCOVXZSB-GHMZBOCLSA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623503780 362927386 /nfs/dbraw/zinc/92/73/86/362927386.db2.gz NRVFHLGCOVXZSB-GHMZBOCLSA-N 1 3 214.353 1.484 20 0 BDADHO COC(=O)CCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000599292533 349148967 /nfs/dbraw/zinc/14/89/67/349148967.db2.gz GAJLVKKIEDMFPW-GFCCVEGCSA-N 1 3 242.363 1.213 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250488063 349170857 /nfs/dbraw/zinc/17/08/57/349170857.db2.gz FLHPXKHEBATCSN-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCCOC2)C1 ZINC000250488063 349170859 /nfs/dbraw/zinc/17/08/59/349170859.db2.gz FLHPXKHEBATCSN-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCCOC2)C1 ZINC000250488063 349170862 /nfs/dbraw/zinc/17/08/62/349170862.db2.gz FLHPXKHEBATCSN-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000252140383 349196880 /nfs/dbraw/zinc/19/68/80/349196880.db2.gz NDHWLXADEJOHJQ-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000449608666 201983414 /nfs/dbraw/zinc/98/34/14/201983414.db2.gz JJJZBMRTBHHSIP-CYBMUJFWSA-N 1 3 249.358 1.215 20 0 BDADHO CN(C)CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071399961 350104777 /nfs/dbraw/zinc/10/47/77/350104777.db2.gz FKPJABGDLKHQJK-CYBMUJFWSA-N 1 3 249.358 1.144 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)C)CN1C1CC1 ZINC000132005554 191021839 /nfs/dbraw/zinc/02/18/39/191021839.db2.gz JKVYEHQRRVTDML-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO COC(=O)C(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000304343431 350154693 /nfs/dbraw/zinc/15/46/93/350154693.db2.gz BQQFGRGAZNSMBA-UWVGGRQHSA-N 1 3 228.336 1.045 20 0 BDADHO COC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000304343431 350154696 /nfs/dbraw/zinc/15/46/96/350154696.db2.gz BQQFGRGAZNSMBA-UWVGGRQHSA-N 1 3 228.336 1.045 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000133616708 191041380 /nfs/dbraw/zinc/04/13/80/191041380.db2.gz LVCASHZEYSNZAZ-FRRDWIJNSA-N 1 3 228.380 1.730 20 0 BDADHO CC(C)OCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000133616708 191041383 /nfs/dbraw/zinc/04/13/83/191041383.db2.gz LVCASHZEYSNZAZ-FRRDWIJNSA-N 1 3 228.380 1.730 20 0 BDADHO CCC[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000133615884 191041916 /nfs/dbraw/zinc/04/19/16/191041916.db2.gz OQHCYYRJSUQXNM-ZDUSSCGKSA-N 1 3 228.380 1.610 20 0 BDADHO C(C[N@@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CCOC1 ZINC000334278662 538063926 /nfs/dbraw/zinc/06/39/26/538063926.db2.gz POMUBUSWROSZCU-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO C(C[N@H+]1CC[C@@]2(C1)CCCNC2)[C@H]1CCOC1 ZINC000334278662 538063941 /nfs/dbraw/zinc/06/39/41/538063941.db2.gz POMUBUSWROSZCU-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO CC(C)C[C@](C)(C[NH3+])NC(=O)CN(C)C(C)C ZINC000236681031 191060793 /nfs/dbraw/zinc/06/07/93/191060793.db2.gz KMTWDCVQRFAJBM-CYBMUJFWSA-N 1 3 243.395 1.206 20 0 BDADHO [NH3+]CCCN1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000334873312 538078706 /nfs/dbraw/zinc/07/87/06/538078706.db2.gz HELCVVKDFLGPCJ-MPEURRAXSA-N 1 3 208.349 1.846 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCCC[C@@H]1O ZINC000328533470 350402213 /nfs/dbraw/zinc/40/22/13/350402213.db2.gz YZVWXVLQSKAWSK-MCIONIFRSA-N 1 3 242.407 1.843 20 0 BDADHO CN[C@@H](C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000577528229 365980570 /nfs/dbraw/zinc/98/05/70/365980570.db2.gz GNVUHRGBLMNTNI-NSHDSACASA-N 1 3 241.379 1.023 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251317834 535150061 /nfs/dbraw/zinc/15/00/61/535150061.db2.gz LNSQVRFMNHHJOJ-HZSPNIEDSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251317834 535150066 /nfs/dbraw/zinc/15/00/66/535150066.db2.gz LNSQVRFMNHHJOJ-HZSPNIEDSA-N 1 3 240.391 1.419 20 0 BDADHO CCCCOCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422791449 192470474 /nfs/dbraw/zinc/47/04/74/192470474.db2.gz YMCNWMWNCRLUDN-QWRGUYRKSA-N 1 3 202.342 1.519 20 0 BDADHO CC[C@H](C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N(C)C ZINC000637807783 351644724 /nfs/dbraw/zinc/64/47/24/351644724.db2.gz NWQRFSJYOCUBCV-TUAOUCFPSA-N 1 3 241.379 1.055 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cn1 ZINC000577739764 366047857 /nfs/dbraw/zinc/04/78/57/366047857.db2.gz KPLCOFNCIDCPEY-GXTWGEPZSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000577739764 366047866 /nfs/dbraw/zinc/04/78/66/366047866.db2.gz KPLCOFNCIDCPEY-GXTWGEPZSA-N 1 3 248.374 1.435 20 0 BDADHO C(C[NH2+]CC1CC1)COC[C@@H]1CCCO1 ZINC000036882473 187586858 /nfs/dbraw/zinc/58/68/58/187586858.db2.gz KIJQOZDSUFMQDM-LBPRGKRZSA-N 1 3 213.321 1.572 20 0 BDADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])N(C)C ZINC000638233763 352085907 /nfs/dbraw/zinc/08/59/07/352085907.db2.gz KEXWXMKWXVPVMS-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000638257670 352100547 /nfs/dbraw/zinc/10/05/47/352100547.db2.gz ZHBUTPZNOFFVLG-JTQLQIEISA-N 1 3 235.331 1.343 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638427362 352235589 /nfs/dbraw/zinc/23/55/89/352235589.db2.gz HPPJJTFJSJFFBY-NEPJUHHUSA-N 1 3 243.395 1.240 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCCO1 ZINC000252157888 363181336 /nfs/dbraw/zinc/18/13/36/363181336.db2.gz PKPAUSDVZPNXOB-IJLUTSLNSA-N 1 3 212.337 1.367 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@H](C)N1CCCCCC1 ZINC000638516356 352347026 /nfs/dbraw/zinc/34/70/26/352347026.db2.gz AITUOMQCVMAVFJ-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000415003825 352478865 /nfs/dbraw/zinc/47/88/65/352478865.db2.gz XPBBMBMEHXREOJ-RYUDHWBXSA-N 1 3 249.358 1.703 20 0 BDADHO CCOc1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000415013991 352550548 /nfs/dbraw/zinc/55/05/48/352550548.db2.gz WDJJWKZCGGWQHL-WDEREUQCSA-N 1 3 222.332 1.911 20 0 BDADHO OCCC1(C[NH2+][C@H]2CCCNCC2)CCCC1 ZINC000415087896 352567043 /nfs/dbraw/zinc/56/70/43/352567043.db2.gz VPNQGSRCPGKPMF-ZDUSSCGKSA-N 1 3 240.391 1.661 20 0 BDADHO C[C@H]1C[C@@H](NC2CSC2)CC[N@@H+]1C ZINC000307677798 352755047 /nfs/dbraw/zinc/75/50/47/352755047.db2.gz MLDNZPWJOGVGTH-IUCAKERBSA-N 1 3 200.351 1.174 20 0 BDADHO C[C@H]1C[C@@H](NC2CSC2)CC[N@H+]1C ZINC000307677798 352755050 /nfs/dbraw/zinc/75/50/50/352755050.db2.gz MLDNZPWJOGVGTH-IUCAKERBSA-N 1 3 200.351 1.174 20 0 BDADHO C[C@@H]1[C@H](CO)CCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000412079251 191252600 /nfs/dbraw/zinc/25/26/00/191252600.db2.gz LCEIAKSSWIXSJR-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1[C@H](CO)CCCN1CC[C@@H]1CCC[N@H+]1C ZINC000412079251 191252602 /nfs/dbraw/zinc/25/26/02/191252602.db2.gz LCEIAKSSWIXSJR-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1CN(C)C[C@H]1[NH2+]CCCN1CCCCC1 ZINC000343034565 352941727 /nfs/dbraw/zinc/94/17/27/352941727.db2.gz NTKPLJQOETZULN-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO CO[C@](C)(C[NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000638838066 353022665 /nfs/dbraw/zinc/02/26/65/353022665.db2.gz CKZJONAQAMMEEQ-CQSZACIVSA-N 1 3 238.375 1.653 20 0 BDADHO CCN(CC)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820449 353000095 /nfs/dbraw/zinc/00/00/95/353000095.db2.gz WGGKZERHQYISEL-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CC[C@]1(C(=O)Nc2cccc(CN)c2)CCC[NH2+]1 ZINC000134365197 538111831 /nfs/dbraw/zinc/11/18/31/538111831.db2.gz MLYPYPOOLUIEGA-CQSZACIVSA-N 1 3 247.342 1.616 20 0 BDADHO CC(C)[C@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000019507303 188231714 /nfs/dbraw/zinc/23/17/14/188231714.db2.gz RSJJNRMPSJRLHM-LBPRGKRZSA-N 1 3 243.395 1.205 20 0 BDADHO CC(C)[NH+]1CCC(N(C)CCC(C)(C)O)CC1 ZINC000360439749 188242832 /nfs/dbraw/zinc/24/28/32/188242832.db2.gz YWMCAQMMNOIUBL-UHFFFAOYSA-N 1 3 242.407 1.952 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000038011390 188255376 /nfs/dbraw/zinc/25/53/76/188255376.db2.gz DORGJFZYOVKMBS-OPQQBVKSSA-N 1 3 236.363 1.536 20 0 BDADHO CC(C)N1CCC([NH2+]C[C@@H](C)N(C)C)CC1 ZINC000038088990 188337882 /nfs/dbraw/zinc/33/78/82/188337882.db2.gz ZITVOZOATJAFLU-GFCCVEGCSA-N 1 3 227.396 1.399 20 0 BDADHO CC(C)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336763041 188350099 /nfs/dbraw/zinc/35/00/99/188350099.db2.gz OTSKIEVLOHCYRY-NSHDSACASA-N 1 3 214.353 1.077 20 0 BDADHO CN(C)CCOC1CC[NH+](CC2CC2)CC1 ZINC000336706408 188359549 /nfs/dbraw/zinc/35/95/49/188359549.db2.gz RPARVTGFGKWKNI-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]C2CSC2)C1 ZINC000308549924 538116938 /nfs/dbraw/zinc/11/69/38/538116938.db2.gz XCIDBDGNPHZILU-SNVBAGLBSA-N 1 3 214.378 1.422 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000262580458 188371234 /nfs/dbraw/zinc/37/12/34/188371234.db2.gz LTBSECPMCLKKTL-NWDGAFQWSA-N 1 3 249.358 1.176 20 0 BDADHO CC(C)C[C@@H](CNC(=O)[C@@H](N)C(C)C)[NH+](C)C ZINC000040831275 188396667 /nfs/dbraw/zinc/39/66/67/188396667.db2.gz LRLBUXOXKUELGP-RYUDHWBXSA-N 1 3 243.395 1.062 20 0 BDADHO CC(C)[C@H]([NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000295202337 188392940 /nfs/dbraw/zinc/39/29/40/188392940.db2.gz PFQDQGSXCWZQES-QWHCGFSZSA-N 1 3 249.358 1.176 20 0 BDADHO CC(C)CN1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062912437 353574239 /nfs/dbraw/zinc/57/42/39/353574239.db2.gz ZGQXWAZIJHUNIP-CQSZACIVSA-N 1 3 239.407 1.260 20 0 BDADHO C[C@@H]1C[C@@H](CO)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000344137926 354151670 /nfs/dbraw/zinc/15/16/70/354151670.db2.gz KADOROJGTGXWLV-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1C[C@@H](CO)CCN1CC[C@H]1CCC[N@H+]1C ZINC000344137926 354151673 /nfs/dbraw/zinc/15/16/73/354151673.db2.gz KADOROJGTGXWLV-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177792 354251412 /nfs/dbraw/zinc/25/14/12/354251412.db2.gz GOSLOOVRSNSSMV-AAEUAGOBSA-N 1 3 249.358 1.559 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(=O)[nH]c1 ZINC000639177792 354251413 /nfs/dbraw/zinc/25/14/13/354251413.db2.gz GOSLOOVRSNSSMV-AAEUAGOBSA-N 1 3 249.358 1.559 20 0 BDADHO CCc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccn1 ZINC000334675816 354418751 /nfs/dbraw/zinc/41/87/51/354418751.db2.gz LOVJAKAEEBDSQK-TXEJJXNPSA-N 1 3 231.343 1.642 20 0 BDADHO CCc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccn1 ZINC000334675816 354418754 /nfs/dbraw/zinc/41/87/54/354418754.db2.gz LOVJAKAEEBDSQK-TXEJJXNPSA-N 1 3 231.343 1.642 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346853502 355139095 /nfs/dbraw/zinc/13/90/95/355139095.db2.gz SSJUDUBRWRKZPU-DRZSPHRISA-N 1 3 234.347 1.196 20 0 BDADHO CC[C@H](C[NH+]1CCC(N(C)C)CC1)OC ZINC000412976849 191347795 /nfs/dbraw/zinc/34/77/95/191347795.db2.gz KFHJIDFIIJPXAX-GFCCVEGCSA-N 1 3 214.353 1.437 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2ccns2)C1 ZINC000639257994 355303606 /nfs/dbraw/zinc/30/36/06/355303606.db2.gz WBZKGLUKFUOCPY-NSHDSACASA-N 1 3 239.388 1.965 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2ccns2)C1 ZINC000639257994 355303609 /nfs/dbraw/zinc/30/36/09/355303609.db2.gz WBZKGLUKFUOCPY-NSHDSACASA-N 1 3 239.388 1.965 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)[C@H](C)N1CCCCCC1 ZINC000349952351 355535570 /nfs/dbraw/zinc/53/55/70/355535570.db2.gz OTJARCSMFLITJD-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000349963052 355542788 /nfs/dbraw/zinc/54/27/88/355542788.db2.gz OEBIBWKAGXLFPY-WZRBSPASSA-N 1 3 249.358 1.176 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000583558634 355609218 /nfs/dbraw/zinc/60/92/18/355609218.db2.gz AQAGDTKHPVHJAV-QWHCGFSZSA-N 1 3 239.407 1.589 20 0 BDADHO Cc1nnsc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000639308175 355663732 /nfs/dbraw/zinc/66/37/32/355663732.db2.gz DCMXBOWYFKWLBJ-AOOOYVTPSA-N 1 3 240.376 1.276 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(CCO)CC1 ZINC000536609600 355843836 /nfs/dbraw/zinc/84/38/36/355843836.db2.gz VTOMVEKGRIPOOV-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC(CCO)CC1 ZINC000536609600 355843839 /nfs/dbraw/zinc/84/38/39/355843839.db2.gz VTOMVEKGRIPOOV-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO CCN1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000166884945 355861768 /nfs/dbraw/zinc/86/17/68/355861768.db2.gz BNBHNRJHVCKFOC-ZDUSSCGKSA-N 1 3 225.380 1.155 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(CCOCC3CC3)C[C@@H]12 ZINC000351492433 356001628 /nfs/dbraw/zinc/00/16/28/356001628.db2.gz KWFQWFHURRJLNI-YNEHKIRRSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1CN(CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000420297284 192204818 /nfs/dbraw/zinc/20/48/18/192204818.db2.gz YLIKLFWDRXQHQC-OCCSQVGLSA-N 1 3 233.359 1.683 20 0 BDADHO CC[C@H]1Cc2ccccc2CN1CCOCC[NH3+] ZINC000420353233 192217046 /nfs/dbraw/zinc/21/70/46/192217046.db2.gz BLERLNCHJMRJAI-HNNXBMFYSA-N 1 3 248.370 1.799 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420308135 192210444 /nfs/dbraw/zinc/21/04/44/192210444.db2.gz CLQPQEHGNOYPGN-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC[C@@H]1CCCCO1 ZINC000420308135 192210447 /nfs/dbraw/zinc/21/04/47/192210447.db2.gz CLQPQEHGNOYPGN-UPJWGTAASA-N 1 3 226.364 1.615 20 0 BDADHO CC[N@H+](CCCOC)[C@@H]1CCCNCC1 ZINC000420311083 192211142 /nfs/dbraw/zinc/21/11/42/192211142.db2.gz MYYUVJHOHMABBI-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CC[N@@H+](CCCOC)[C@@H]1CCCNCC1 ZINC000420311083 192211145 /nfs/dbraw/zinc/21/11/45/192211145.db2.gz MYYUVJHOHMABBI-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO C[C@]1(CN)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314801 192212555 /nfs/dbraw/zinc/21/25/55/192212555.db2.gz LLGPKOSZWHXOQP-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314801 192212557 /nfs/dbraw/zinc/21/25/57/192212557.db2.gz LLGPKOSZWHXOQP-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO CC(C)[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420370119 192227031 /nfs/dbraw/zinc/22/70/31/192227031.db2.gz YLWFBXLAKBPDSI-QWHCGFSZSA-N 1 3 226.364 1.343 20 0 BDADHO CN(CC[C@@H]1CCCCO1)C1CC([NH3+])C1 ZINC000420322648 192227225 /nfs/dbraw/zinc/22/72/25/192227225.db2.gz AQJMXBSRCCBTHL-MCIGGMRASA-N 1 3 212.337 1.367 20 0 BDADHO C(CN1CCOC[C@@H]1C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420370272 192227733 /nfs/dbraw/zinc/22/77/33/192227733.db2.gz YVVOSYSSFMQHAY-WCQYABFASA-N 1 3 224.348 1.097 20 0 BDADHO CC(C)[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420370122 192227864 /nfs/dbraw/zinc/22/78/64/192227864.db2.gz YLWFBXLAKBPDSI-STQMWFEESA-N 1 3 226.364 1.343 20 0 BDADHO COCCCCCN(C)C1CC([NH3+])C1 ZINC000420328626 192228933 /nfs/dbraw/zinc/22/89/33/192228933.db2.gz HWDIJNOUVIZXEW-UHFFFAOYSA-N 1 3 200.326 1.225 20 0 BDADHO COCCCCC[N@H+](C)C1CC(N)C1 ZINC000420328626 192228934 /nfs/dbraw/zinc/22/89/34/192228934.db2.gz HWDIJNOUVIZXEW-UHFFFAOYSA-N 1 3 200.326 1.225 20 0 BDADHO COCCCCC[N@@H+](C)C1CC(N)C1 ZINC000420328626 192228936 /nfs/dbraw/zinc/22/89/36/192228936.db2.gz HWDIJNOUVIZXEW-UHFFFAOYSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H](N)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000420361944 192221903 /nfs/dbraw/zinc/22/19/03/192221903.db2.gz NUIBOEOJEKSUHU-LBPRGKRZSA-N 1 3 233.359 1.683 20 0 BDADHO CCC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420361621 192222643 /nfs/dbraw/zinc/22/26/43/192222643.db2.gz NIRMYEGPWGZLFX-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO COCCOCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420382228 192234510 /nfs/dbraw/zinc/23/45/10/192234510.db2.gz ZOPAPFQWAQBEBF-ZDUSSCGKSA-N 1 3 244.379 1.147 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@@H](COC)C1 ZINC000420377153 192231345 /nfs/dbraw/zinc/23/13/45/192231345.db2.gz RRNOPIITGSFEGT-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO CNCCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000420377153 192231346 /nfs/dbraw/zinc/23/13/46/192231346.db2.gz RRNOPIITGSFEGT-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO C[NH2+]CCCN1CCCC[C@@H](COC)C1 ZINC000420377153 192231349 /nfs/dbraw/zinc/23/13/49/192231349.db2.gz RRNOPIITGSFEGT-GFCCVEGCSA-N 1 3 214.353 1.344 20 0 BDADHO c1c[nH]c([C@H]2CCCN2CC[C@H]2CC[NH2+]C2)n1 ZINC000420376714 192231662 /nfs/dbraw/zinc/23/16/62/192231662.db2.gz QZEZZNFWDSGFKE-VXGBXAGGSA-N 1 3 234.347 1.546 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)[C@@H]1CCCOC1 ZINC000352219651 134108707 /nfs/dbraw/zinc/10/87/07/134108707.db2.gz DYPNYUYURQFXKW-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000352219651 134108708 /nfs/dbraw/zinc/10/87/08/134108708.db2.gz DYPNYUYURQFXKW-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420930880 192287719 /nfs/dbraw/zinc/28/77/19/192287719.db2.gz CTYRZQZBXVDJLP-KGLIPLIRSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420930880 192287721 /nfs/dbraw/zinc/28/77/21/192287721.db2.gz CTYRZQZBXVDJLP-KGLIPLIRSA-N 1 3 242.407 1.669 20 0 BDADHO C[C@@H](F)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336198504 134127375 /nfs/dbraw/zinc/12/73/75/134127375.db2.gz SDYGZAHZGMHKSA-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@@H](F)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336198504 134127376 /nfs/dbraw/zinc/12/73/76/134127376.db2.gz SDYGZAHZGMHKSA-NEPJUHHUSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@@H]1CN(C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000336214842 134136133 /nfs/dbraw/zinc/13/61/33/134136133.db2.gz BKSPVNSYWITXMP-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H]1CN(C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000336214842 134136134 /nfs/dbraw/zinc/13/61/34/134136134.db2.gz BKSPVNSYWITXMP-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422937196 192512332 /nfs/dbraw/zinc/51/23/32/192512332.db2.gz NVXICCATPZQWCA-AXFHLTTASA-N 1 3 216.394 1.716 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H](C)N ZINC000423013771 192540608 /nfs/dbraw/zinc/54/06/08/192540608.db2.gz GRGAIKQMQUPUJV-DDHJBXDOSA-N 1 3 214.353 1.517 20 0 BDADHO CCC[C@H](C)C(=O)NCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000423124693 192576838 /nfs/dbraw/zinc/57/68/38/192576838.db2.gz GZXSWHWPLDECNH-SRVKXCTJSA-N 1 3 243.395 1.254 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423158751 192595587 /nfs/dbraw/zinc/59/55/87/192595587.db2.gz DEQMLASXJPEYSY-LSPKCERGSA-N 1 3 238.375 1.815 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173580 192608747 /nfs/dbraw/zinc/60/87/47/192608747.db2.gz ZGYOWLUECJAZIS-FPYNETTCSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCN1 ZINC000423173580 192608750 /nfs/dbraw/zinc/60/87/50/192608750.db2.gz ZGYOWLUECJAZIS-FPYNETTCSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000393690312 357293396 /nfs/dbraw/zinc/29/33/96/357293396.db2.gz DZZCQHHAOHEQOC-TUAOUCFPSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)[C@H](C)O ZINC000582541354 357340704 /nfs/dbraw/zinc/34/07/04/357340704.db2.gz AAUVFJIHPRUIQA-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)[C@H](C)O ZINC000582541354 357340708 /nfs/dbraw/zinc/34/07/08/357340708.db2.gz AAUVFJIHPRUIQA-NEPJUHHUSA-N 1 3 228.380 1.467 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000583154260 357497588 /nfs/dbraw/zinc/49/75/88/357497588.db2.gz ZWKRXVMZIUGTHO-WHOHXGKFSA-N 1 3 240.347 1.188 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000583154260 357497592 /nfs/dbraw/zinc/49/75/92/357497592.db2.gz ZWKRXVMZIUGTHO-WHOHXGKFSA-N 1 3 240.347 1.188 20 0 BDADHO CCC[C@](C)(N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710857 357572904 /nfs/dbraw/zinc/57/29/04/357572904.db2.gz ACWGOHRNKGFZTI-ZDUSSCGKSA-N 1 3 243.395 1.304 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000230500672 357550812 /nfs/dbraw/zinc/55/08/12/357550812.db2.gz SJMXUIZQXVHHDM-JHJVBQTASA-N 1 3 228.380 1.501 20 0 BDADHO CC[C@H]1CCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397604958 357626041 /nfs/dbraw/zinc/62/60/41/357626041.db2.gz PLWCJSSZKHPSQK-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO C[NH+](C)CCCCNCc1cncc(F)c1 ZINC000230939783 357580815 /nfs/dbraw/zinc/58/08/15/357580815.db2.gz UMOQFAHHCCKAKY-UHFFFAOYSA-N 1 3 225.311 1.652 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000397730452 357674142 /nfs/dbraw/zinc/67/41/42/357674142.db2.gz PXHNBLRBZCWBFF-QJPTWQEYSA-N 1 3 214.353 1.255 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H](C)C[NH2+]C)C1(C)C ZINC000233766584 357744764 /nfs/dbraw/zinc/74/47/64/357744764.db2.gz YFAOGKGCBDREHY-SDDRHHMPSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1ccccc1F ZINC000234795682 357828825 /nfs/dbraw/zinc/82/88/25/357828825.db2.gz JGHJHAAEMWXXMP-LBPRGKRZSA-N 1 3 240.322 1.669 20 0 BDADHO Cc1c[nH+]ccc1N1CC[C@@H](N2CC=CC2)C1 ZINC000192626391 357840883 /nfs/dbraw/zinc/84/08/83/357840883.db2.gz OOSPFPMQBBHXLV-CYBMUJFWSA-N 1 3 229.327 1.841 20 0 BDADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCOCCN(C)C ZINC000235589652 357881415 /nfs/dbraw/zinc/88/14/15/357881415.db2.gz VECMBENHEHKVRI-STQMWFEESA-N 1 3 242.407 1.979 20 0 BDADHO COCC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000218640219 357962601 /nfs/dbraw/zinc/96/26/01/357962601.db2.gz BMVLYLSTWRTXSL-CHWSQXEVSA-N 1 3 228.380 1.731 20 0 BDADHO O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000168762017 134247973 /nfs/dbraw/zinc/24/79/73/134247973.db2.gz SYXQEORIHDDVFO-YNEHKIRRSA-N 1 3 226.364 1.269 20 0 BDADHO O[C@@H]1CCCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168762017 134247974 /nfs/dbraw/zinc/24/79/74/134247974.db2.gz SYXQEORIHDDVFO-YNEHKIRRSA-N 1 3 226.364 1.269 20 0 BDADHO CC[NH+](CC)C[C@H]1CCN(CCCCCO)C1 ZINC000076001869 325325317 /nfs/dbraw/zinc/32/53/17/325325317.db2.gz DALDWTXIWOPNBS-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)C[C@H]1CC[N@H+](CCCCCO)C1 ZINC000076001869 325325319 /nfs/dbraw/zinc/32/53/19/325325319.db2.gz DALDWTXIWOPNBS-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)C[C@H]1CC[N@@H+](CCCCCO)C1 ZINC000076001869 325325320 /nfs/dbraw/zinc/32/53/20/325325320.db2.gz DALDWTXIWOPNBS-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCCCO[C@@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000423303921 192693132 /nfs/dbraw/zinc/69/31/32/192693132.db2.gz NEDGFUZMOKWCRU-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CCCCO[C@@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C ZINC000423303921 192693134 /nfs/dbraw/zinc/69/31/34/192693134.db2.gz NEDGFUZMOKWCRU-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CCC[C@]1(C)CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000584725750 358166148 /nfs/dbraw/zinc/16/61/48/358166148.db2.gz SOZYCDMHGBRFSA-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@]1(C)CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000584725750 358166150 /nfs/dbraw/zinc/16/61/50/358166150.db2.gz SOZYCDMHGBRFSA-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@]1(C)CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000584725750 358166153 /nfs/dbraw/zinc/16/61/53/358166153.db2.gz SOZYCDMHGBRFSA-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CC[C@H](C)NC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222970449 358216484 /nfs/dbraw/zinc/21/64/84/358216484.db2.gz BGKLJHMLLWFNHA-TUAOUCFPSA-N 1 3 241.379 1.151 20 0 BDADHO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222970449 358216488 /nfs/dbraw/zinc/21/64/88/358216488.db2.gz BGKLJHMLLWFNHA-TUAOUCFPSA-N 1 3 241.379 1.151 20 0 BDADHO CCc1ccc(CNC[C@@H](C)C[NH3+])s1 ZINC000225372999 358240418 /nfs/dbraw/zinc/24/04/18/358240418.db2.gz GJPPQHBFZDEHIG-VIFPVBQESA-N 1 3 212.362 1.995 20 0 BDADHO C[C@H](CO)[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000450736276 202250903 /nfs/dbraw/zinc/25/09/03/202250903.db2.gz FCWLHOYLGMWJQY-GRYCIOLGSA-N 1 3 214.353 1.077 20 0 BDADHO CCCN(CCN(C)C)C(=O)CC[NH2+]C(C)C ZINC000041680314 358334005 /nfs/dbraw/zinc/33/40/05/358334005.db2.gz YSRSVXYPRLSYES-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H](C[NH2+]CC1(O)CCCC1)CN1CCCC1 ZINC000087459947 366453708 /nfs/dbraw/zinc/45/37/08/366453708.db2.gz XYKYXADAMFHSDH-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H](CNCC1(O)CCCC1)C[NH+]1CCCC1 ZINC000087459947 366453710 /nfs/dbraw/zinc/45/37/10/366453710.db2.gz XYKYXADAMFHSDH-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO CC(C)[NH+]1CCC(NCCn2cccn2)CC1 ZINC000042538622 358525926 /nfs/dbraw/zinc/52/59/26/358525926.db2.gz DJWQNADDDWNUCY-UHFFFAOYSA-N 1 3 236.363 1.346 20 0 BDADHO CC(C)N1CCC([NH2+][C@H](C)CN(C)C)CC1 ZINC000130160554 358611451 /nfs/dbraw/zinc/61/14/51/358611451.db2.gz SDIMDHGLZMCKOJ-GFCCVEGCSA-N 1 3 227.396 1.399 20 0 BDADHO C[C@H]1C[C@H](NCCc2ccco2)CC[N@@H+]1C ZINC000129668467 358592510 /nfs/dbraw/zinc/59/25/10/358592510.db2.gz OAWUAXKSRJLLKG-NWDGAFQWSA-N 1 3 222.332 1.894 20 0 BDADHO C[C@H]1C[C@H](NCCc2ccco2)CC[N@H+]1C ZINC000129668467 358592514 /nfs/dbraw/zinc/59/25/14/358592514.db2.gz OAWUAXKSRJLLKG-NWDGAFQWSA-N 1 3 222.332 1.894 20 0 BDADHO CCN(CCCO)CC[C@@H]1CCCC[N@@H+]1C ZINC000131326413 358671083 /nfs/dbraw/zinc/67/10/83/358671083.db2.gz LRLNLARROCTQRQ-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CCCO)CC[C@@H]1CCCC[N@H+]1C ZINC000131326413 358671086 /nfs/dbraw/zinc/67/10/86/358671086.db2.gz LRLNLARROCTQRQ-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CC[C@H](C)C[NH2+]CCCN1CCN(CC)CC1 ZINC000133527008 358758032 /nfs/dbraw/zinc/75/80/32/358758032.db2.gz UNNGZOAEQAEQGI-AWEZNQCLSA-N 1 3 241.423 1.650 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCCOCC(F)(F)F)C1 ZINC000050249415 358722219 /nfs/dbraw/zinc/72/22/19/358722219.db2.gz OFEYTMNGBFSPDY-VIFPVBQESA-N 1 3 240.269 1.236 20 0 BDADHO NC[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000050249415 358722221 /nfs/dbraw/zinc/72/22/21/358722221.db2.gz OFEYTMNGBFSPDY-VIFPVBQESA-N 1 3 240.269 1.236 20 0 BDADHO NC[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000050249415 358722223 /nfs/dbraw/zinc/72/22/23/358722223.db2.gz OFEYTMNGBFSPDY-VIFPVBQESA-N 1 3 240.269 1.236 20 0 BDADHO C[C@@H]1C[C@H](C)CN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219853641 134292219 /nfs/dbraw/zinc/29/22/19/134292219.db2.gz VBRYHUGSDUOQLK-XQQFMLRXSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1OCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000133959951 358774089 /nfs/dbraw/zinc/77/40/89/358774089.db2.gz PTUHJZRPYXOAMY-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO COCC1(N[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623452102 359349228 /nfs/dbraw/zinc/34/92/28/359349228.db2.gz XKQFQRKOHAQLGL-NSHDSACASA-N 1 3 226.364 1.628 20 0 BDADHO COCC1(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623452102 359349230 /nfs/dbraw/zinc/34/92/30/359349230.db2.gz XKQFQRKOHAQLGL-NSHDSACASA-N 1 3 226.364 1.628 20 0 BDADHO CN(CCC[NH+](C)C)C[C@H]1CCSC1 ZINC000580498891 359762235 /nfs/dbraw/zinc/76/22/35/359762235.db2.gz FXGAAHPXNMBLIV-LLVKDONJSA-N 1 3 216.394 1.623 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@@H](OC)C12CCC2 ZINC000578433832 366566424 /nfs/dbraw/zinc/56/64/24/366566424.db2.gz JJPAHQZOJHAWCE-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CC[NH+]1CCC(NC2CSC2)CC1 ZINC000306429434 359885472 /nfs/dbraw/zinc/88/54/72/359885472.db2.gz OYXLVUVYXMSRAJ-UHFFFAOYSA-N 1 3 200.351 1.176 20 0 BDADHO C[C@H](CCO)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516828 360255750 /nfs/dbraw/zinc/25/57/50/360255750.db2.gz JUGVEPPFFCIUIB-RDBSUJKOSA-N 1 3 242.407 1.905 20 0 BDADHO Cc1cccc(C[NH2+]CC2(N)CCOCC2)c1C ZINC000629389118 361035291 /nfs/dbraw/zinc/03/52/91/361035291.db2.gz YAWSUUOVTZRADX-UHFFFAOYSA-N 1 3 248.370 1.901 20 0 BDADHO COC1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629397373 361047706 /nfs/dbraw/zinc/04/77/06/361047706.db2.gz UGHBXGAERSXSMP-QCXCNERSSA-N 1 3 226.364 1.674 20 0 BDADHO CCO[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)C1CC1 ZINC000629509369 361103128 /nfs/dbraw/zinc/10/31/28/361103128.db2.gz DKVMSEQDUOPGRR-WCFLWFBJSA-N 1 3 226.364 1.471 20 0 BDADHO CCO[C@H](CN1CC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629509978 361104751 /nfs/dbraw/zinc/10/47/51/361104751.db2.gz DKTQBPIFSMCRTN-DGCLKSJQSA-N 1 3 226.364 1.343 20 0 BDADHO CCO[C@@H](C[N@@H+]1CC[C@@H](CN)C1)C1CC1 ZINC000629511914 361106255 /nfs/dbraw/zinc/10/62/55/361106255.db2.gz NJZRRDMHNVEJAS-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H](C[N@H+]1CC[C@@H](CN)C1)C1CC1 ZINC000629511914 361106257 /nfs/dbraw/zinc/10/62/57/361106257.db2.gz NJZRRDMHNVEJAS-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H](CN1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000629511914 361106260 /nfs/dbraw/zinc/10/62/60/361106260.db2.gz NJZRRDMHNVEJAS-JQWIXIFHSA-N 1 3 212.337 1.082 20 0 BDADHO CCC[C@H](CN[C@@H](C)C[C@H](C)[NH3+])OCC ZINC000629515388 361114297 /nfs/dbraw/zinc/11/42/97/361114297.db2.gz QXLLCWNUXCUWPN-SDDRHHMPSA-N 1 3 216.369 1.907 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCN1CC(F)F ZINC000629520228 361116309 /nfs/dbraw/zinc/11/63/09/361116309.db2.gz UZIYOFAVCNQRQZ-GMTAPVOTSA-N 1 3 247.333 1.185 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@@H]1CCOC1 ZINC000629526218 361128411 /nfs/dbraw/zinc/12/84/11/361128411.db2.gz NOIOIADRZVUWIX-MROQNXINSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@H](CN1CC[C@H]([NH3+])[C@H](CC)C1)C1CC1 ZINC000629528446 361136250 /nfs/dbraw/zinc/13/62/50/361136250.db2.gz ZIGPMZLXGJAMBN-KWCYVHTRSA-N 1 3 240.391 1.861 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccoc1 ZINC000629528593 361137383 /nfs/dbraw/zinc/13/73/83/361137383.db2.gz DKOJYJBMNPFXTH-SNVBAGLBSA-N 1 3 212.293 1.166 20 0 BDADHO C[NH2+]CCOCCN[C@@H]1CCc2c1cccc2C ZINC000629528992 361138268 /nfs/dbraw/zinc/13/82/68/361138268.db2.gz OPDFXPMBZZFGJO-OAHLLOKOSA-N 1 3 248.370 1.808 20 0 BDADHO COCCCCN1CCC[C@@H](C[NH3+])C1 ZINC000158504046 361200167 /nfs/dbraw/zinc/20/01/67/361200167.db2.gz HNQNGJQBXOVTHK-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO COCCCC[N@@H+]1CCC[C@@H](CN)C1 ZINC000158504046 361200172 /nfs/dbraw/zinc/20/01/72/361200172.db2.gz HNQNGJQBXOVTHK-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO COCCCC[N@H+]1CCC[C@@H](CN)C1 ZINC000158504046 361200177 /nfs/dbraw/zinc/20/01/77/361200177.db2.gz HNQNGJQBXOVTHK-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO CC(C)n1ccc(C[C@@H](C)NCC[C@H](C)[NH3+])n1 ZINC000622045297 370678826 /nfs/dbraw/zinc/67/88/26/370678826.db2.gz LMKXQVNMMHKPLW-NWDGAFQWSA-N 1 3 238.379 1.722 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428939603 201048953 /nfs/dbraw/zinc/04/89/53/201048953.db2.gz ATSIQQASPNAMQM-GVXVVHGQSA-N 1 3 241.379 1.008 20 0 BDADHO COC[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000380253203 366760855 /nfs/dbraw/zinc/76/08/55/366760855.db2.gz PRJKEOUJVZLPTB-UTUOFQBUSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000380253203 366760858 /nfs/dbraw/zinc/76/08/58/366760858.db2.gz PRJKEOUJVZLPTB-UTUOFQBUSA-N 1 3 212.337 1.238 20 0 BDADHO CNCc1cccc(NC(=O)CCC[NH3+])c1 ZINC000579351768 366767133 /nfs/dbraw/zinc/76/71/33/366767133.db2.gz HTLPNBDRZQTLKJ-UHFFFAOYSA-N 1 3 221.304 1.083 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1ccoc1 ZINC000629535824 361411997 /nfs/dbraw/zinc/41/19/97/361411997.db2.gz FJVCUTVWOAIKBF-SNVBAGLBSA-N 1 3 212.293 1.296 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000629548649 361434722 /nfs/dbraw/zinc/43/47/22/361434722.db2.gz OLFZUHWARZYFAK-XQHKEYJVSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629550054 361443232 /nfs/dbraw/zinc/44/32/32/361443232.db2.gz XIDUDZQARNAHAI-FSZOTQKASA-N 1 3 212.337 1.269 20 0 BDADHO CCO[C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000629541310 361416750 /nfs/dbraw/zinc/41/67/50/361416750.db2.gz ZBKDVSOOLICHQE-UPJWGTAASA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1cccs1 ZINC000629541766 361416818 /nfs/dbraw/zinc/41/68/18/361416818.db2.gz VMMDCDQPFHVDDG-JTQLQIEISA-N 1 3 228.361 1.764 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1cccc(F)c1 ZINC000629542436 361419527 /nfs/dbraw/zinc/41/95/27/361419527.db2.gz ZIVARGYCQOWRBC-LLVKDONJSA-N 1 3 240.322 1.842 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000629542610 361419745 /nfs/dbraw/zinc/41/97/45/361419745.db2.gz GZCXZGAYQOGEGZ-YVECIDJPSA-N 1 3 226.364 1.674 20 0 BDADHO CS[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000448545870 201199378 /nfs/dbraw/zinc/19/93/78/201199378.db2.gz NWQWRBHOJPNUGX-RYUDHWBXSA-N 1 3 228.405 1.908 20 0 BDADHO CS[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000448545870 201199381 /nfs/dbraw/zinc/19/93/81/201199381.db2.gz NWQWRBHOJPNUGX-RYUDHWBXSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H]1C[C@H](C)N(CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648516 361540444 /nfs/dbraw/zinc/54/04/44/361540444.db2.gz QAGRBFPZLNJKRV-MBNYWOFBSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC2=CCCOC2)C[C@H]1CN ZINC000629648516 361540446 /nfs/dbraw/zinc/54/04/46/361540446.db2.gz QAGRBFPZLNJKRV-MBNYWOFBSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC2=CCCOC2)C[C@H]1CN ZINC000629648516 361540448 /nfs/dbraw/zinc/54/04/48/361540448.db2.gz QAGRBFPZLNJKRV-MBNYWOFBSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1CCC[N@H+](CC2=CCCOC2)[C@@H]1CCN ZINC000629650556 361547929 /nfs/dbraw/zinc/54/79/29/361547929.db2.gz VYTGZDOGCHKYDS-TZMCWYRMSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC2=CCCOC2)[C@@H]1CCN ZINC000629650556 361547938 /nfs/dbraw/zinc/54/79/38/361547938.db2.gz VYTGZDOGCHKYDS-TZMCWYRMSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@@H]1CCCN(CC2=CCCOC2)[C@@H]1CC[NH3+] ZINC000629650556 361547946 /nfs/dbraw/zinc/54/79/46/361547946.db2.gz VYTGZDOGCHKYDS-TZMCWYRMSA-N 1 3 238.375 1.782 20 0 BDADHO COC1(CNCC2([NH3+])CCOCC2)CCCC1 ZINC000629654156 361554130 /nfs/dbraw/zinc/55/41/30/361554130.db2.gz MTGABJATVJILCE-UHFFFAOYSA-N 1 3 242.363 1.043 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CC3=CCCOC3)C[C@@H]21 ZINC000629646702 361532360 /nfs/dbraw/zinc/53/23/60/361532360.db2.gz CHBGIHXVFWPJEL-HZSPNIEDSA-N 1 3 236.359 1.392 20 0 BDADHO CC1([NH2+]CCCN)CCC(F)(F)CC1 ZINC000629651357 361556010 /nfs/dbraw/zinc/55/60/10/361556010.db2.gz PLZRWADXXCUYAL-UHFFFAOYSA-N 1 3 206.280 1.893 20 0 BDADHO C[C@@H]1[C@H](O)CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000448549109 201214820 /nfs/dbraw/zinc/21/48/20/201214820.db2.gz XABXSVSPFBUMQA-JHJVBQTASA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H]1[C@H](O)CCCN1CC[C@H]1CCC[N@H+]1C ZINC000448549109 201214824 /nfs/dbraw/zinc/21/48/24/201214824.db2.gz XABXSVSPFBUMQA-JHJVBQTASA-N 1 3 226.364 1.316 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCC[C@@H]2O)CC1 ZINC000631741137 364545377 /nfs/dbraw/zinc/54/53/77/364545377.db2.gz ZRGCCDNNTFUYED-STQMWFEESA-N 1 3 240.391 1.752 20 0 BDADHO O[C@@H]1CCCC[C@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000328317584 364826862 /nfs/dbraw/zinc/82/68/62/364826862.db2.gz CVZLSHZRIXVGMF-BFHYXJOUSA-N 1 3 238.375 1.223 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@](C)(CC)C1 ZINC000573574294 364866131 /nfs/dbraw/zinc/86/61/31/364866131.db2.gz QXCKUYGKNICCPR-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](C)(CC)C1 ZINC000573574294 364866134 /nfs/dbraw/zinc/86/61/34/364866134.db2.gz QXCKUYGKNICCPR-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CNCc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000573723928 364902259 /nfs/dbraw/zinc/90/22/59/364902259.db2.gz HGZOSLYYLOVMKU-CMPLNLGQSA-N 1 3 247.342 1.343 20 0 BDADHO [NH3+]CCCCNCc1cccc2c1OCCO2 ZINC000037715330 181377918 /nfs/dbraw/zinc/37/79/18/181377918.db2.gz QMCZZDBDGJXXIL-UHFFFAOYSA-N 1 3 236.315 1.286 20 0 BDADHO COC[C@@H](N[C@H]1CCC[NH2+]CC1)C(C)C ZINC000168763247 365001225 /nfs/dbraw/zinc/00/12/25/365001225.db2.gz GGYCVSFIZWHHCJ-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@@H]([NH2+][C@H]1CCCNCC1)C(C)C ZINC000168763247 365001229 /nfs/dbraw/zinc/00/12/29/365001229.db2.gz GGYCVSFIZWHHCJ-NWDGAFQWSA-N 1 3 214.353 1.389 20 0 BDADHO O[C@H]1CCCC[C@H]1CN1CCC2(CC[NH2+]2)CC1 ZINC000574643919 365110247 /nfs/dbraw/zinc/11/02/47/365110247.db2.gz CQXATUXQYCLENY-STQMWFEESA-N 1 3 238.375 1.365 20 0 BDADHO CN(C)CCN1CCC([NH2+]CC2(C)CC2)CC1 ZINC000575062807 365184300 /nfs/dbraw/zinc/18/43/00/365184300.db2.gz ZQEPPCXMQFLRDW-UHFFFAOYSA-N 1 3 239.407 1.402 20 0 BDADHO Cc1cnc(CN2CCC[C@H](CC[NH3+])C2)cn1 ZINC000442918907 193005541 /nfs/dbraw/zinc/00/55/41/193005541.db2.gz IGEJYMAROPJGCS-GFCCVEGCSA-N 1 3 234.347 1.346 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000575071799 365188597 /nfs/dbraw/zinc/18/85/97/365188597.db2.gz HQHTYQKNDDHBSS-AVGNSLFASA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000575071799 365188601 /nfs/dbraw/zinc/18/86/01/365188601.db2.gz HQHTYQKNDDHBSS-AVGNSLFASA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H](C[NH2+]C(C1CC1)C1CC1)CN(C)C ZINC000379778688 365249613 /nfs/dbraw/zinc/24/96/13/365249613.db2.gz FBWPSICEQGXCFS-JTQLQIEISA-N 1 3 210.365 1.962 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243499 365267966 /nfs/dbraw/zinc/26/79/66/365267966.db2.gz ANUQXCLPVPKKND-CHWFTXMASA-N 1 3 206.289 1.605 20 0 BDADHO CCCCN(CCCO)CC[C@@H]1CCC[N@@H+]1C ZINC000182165337 366871986 /nfs/dbraw/zinc/87/19/86/366871986.db2.gz RTFMKTIPWJRMFB-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCCCN(CCCO)CC[C@@H]1CCC[N@H+]1C ZINC000182165337 366871989 /nfs/dbraw/zinc/87/19/89/366871989.db2.gz RTFMKTIPWJRMFB-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCCc2ccncc2)C1 ZINC000579713021 366989378 /nfs/dbraw/zinc/98/93/78/366989378.db2.gz WBRBRQQEZOFLIT-AWEZNQCLSA-N 1 3 233.359 1.556 20 0 BDADHO COCC1(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000579953478 367099761 /nfs/dbraw/zinc/09/97/61/367099761.db2.gz ICHGCNSECOECJV-FUNVUKJBSA-N 1 3 238.375 1.676 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000581125274 367269649 /nfs/dbraw/zinc/26/96/49/367269649.db2.gz FHVHUXHKTLHIKD-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000581125274 367269657 /nfs/dbraw/zinc/26/96/57/367269657.db2.gz FHVHUXHKTLHIKD-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@H]3CCCOC3)CC[N@@H+]2C1 ZINC000381178093 367359091 /nfs/dbraw/zinc/35/90/91/367359091.db2.gz VPEYVKXRBBRSTR-FRRDWIJNSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@H](N[C@H]3CCCOC3)CC[N@H+]2C1 ZINC000381178093 367359096 /nfs/dbraw/zinc/35/90/96/367359096.db2.gz VPEYVKXRBBRSTR-FRRDWIJNSA-N 1 3 224.348 1.382 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000381621812 367440813 /nfs/dbraw/zinc/44/08/13/367440813.db2.gz AIGYYHWMVNLGCD-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)[C@H](C)O1 ZINC000382577967 367544088 /nfs/dbraw/zinc/54/40/88/367544088.db2.gz CLNAGVNMCMLRTP-JFGNBEQYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCNC2CC2)[C@H](C)O1 ZINC000382577967 367544093 /nfs/dbraw/zinc/54/40/93/367544093.db2.gz CLNAGVNMCMLRTP-JFGNBEQYSA-N 1 3 212.337 1.284 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248442 367608991 /nfs/dbraw/zinc/60/89/91/367608991.db2.gz WBMOZCKPTUJRBD-ZJUUUORDSA-N 1 3 218.291 1.749 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000384877068 367748548 /nfs/dbraw/zinc/74/85/48/367748548.db2.gz PUOQRUZWLOASBQ-GMTAPVOTSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000384877068 367748554 /nfs/dbraw/zinc/74/85/54/367748554.db2.gz PUOQRUZWLOASBQ-GMTAPVOTSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000385141626 367801389 /nfs/dbraw/zinc/80/13/89/367801389.db2.gz MCMYBBJUXQJKEO-NCXFDQOBSA-N 1 3 238.375 1.767 20 0 BDADHO C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)O1 ZINC000385141626 367801391 /nfs/dbraw/zinc/80/13/91/367801391.db2.gz MCMYBBJUXQJKEO-NCXFDQOBSA-N 1 3 238.375 1.767 20 0 BDADHO C[C@H](CCCO)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386066884 367907893 /nfs/dbraw/zinc/90/78/93/367907893.db2.gz YSWSZXKZAQTCKQ-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386091898 367911422 /nfs/dbraw/zinc/91/14/22/367911422.db2.gz IGVNRCQBDQLONM-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](NCC[C@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386104478 367912554 /nfs/dbraw/zinc/91/25/54/367912554.db2.gz KISCTQCXYBDGDA-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)CN1 ZINC000399192898 367897425 /nfs/dbraw/zinc/89/74/25/367897425.db2.gz QRJVCCLGOBOMHZ-AAEUAGOBSA-N 1 3 237.391 1.343 20 0 BDADHO COCCCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386604854 368000418 /nfs/dbraw/zinc/00/04/18/368000418.db2.gz VOYMHULCXJDBPU-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H]1CCCNC1 ZINC000581997173 368098636 /nfs/dbraw/zinc/09/86/36/368098636.db2.gz FNXQXMHGRHYGOA-VJTDZRGJSA-N 1 3 238.375 1.532 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000252948630 368169960 /nfs/dbraw/zinc/16/99/60/368169960.db2.gz NSJDHYNXWSGIPZ-JHJVBQTASA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000252948630 368169964 /nfs/dbraw/zinc/16/99/64/368169964.db2.gz NSJDHYNXWSGIPZ-JHJVBQTASA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000252948630 368169973 /nfs/dbraw/zinc/16/99/73/368169973.db2.gz NSJDHYNXWSGIPZ-JHJVBQTASA-N 1 3 228.380 1.730 20 0 BDADHO Cc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000059161698 368529988 /nfs/dbraw/zinc/52/99/88/368529988.db2.gz XATYJWGFLHXQFU-UHFFFAOYSA-N 1 3 248.370 1.541 20 0 BDADHO CC(C)[C@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000066245130 368642152 /nfs/dbraw/zinc/64/21/52/368642152.db2.gz OKFVNSRBXCIJSY-LBPRGKRZSA-N 1 3 238.379 1.046 20 0 BDADHO CN1CCCC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000623657119 368998148 /nfs/dbraw/zinc/99/81/48/368998148.db2.gz KBUIMCWZGVFGOO-GFCCVEGCSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)CCO1 ZINC000623657228 368998177 /nfs/dbraw/zinc/99/81/77/368998177.db2.gz LSWQXAYDKFHDEC-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN(C)C2)CO1 ZINC000623657771 368999767 /nfs/dbraw/zinc/99/97/67/368999767.db2.gz YRGAZRNQCVHIRL-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657771 368999768 /nfs/dbraw/zinc/99/97/68/368999768.db2.gz YRGAZRNQCVHIRL-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657771 368999770 /nfs/dbraw/zinc/99/97/70/368999770.db2.gz YRGAZRNQCVHIRL-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CN(C)CC(C)(C)[NH2+]CCCN1CCCCC1 ZINC000459546957 203298254 /nfs/dbraw/zinc/29/82/54/203298254.db2.gz JGDKTPCGBQBTJT-UHFFFAOYSA-N 1 3 241.423 1.792 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2ccccn2)C1 ZINC000459729353 203344655 /nfs/dbraw/zinc/34/46/55/203344655.db2.gz JCMYMINLBBUGNC-ZDUSSCGKSA-N 1 3 233.359 1.903 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2ccccn2)C1 ZINC000459729353 203344659 /nfs/dbraw/zinc/34/46/59/203344659.db2.gz JCMYMINLBBUGNC-ZDUSSCGKSA-N 1 3 233.359 1.903 20 0 BDADHO COC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000158689360 326337637 /nfs/dbraw/zinc/33/76/37/326337637.db2.gz PBUDYIKSXBVXIW-MCIONIFRSA-N 1 3 242.407 1.979 20 0 BDADHO Cc1cc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccn1 ZINC000621774945 370521788 /nfs/dbraw/zinc/52/17/88/370521788.db2.gz BAISFNJJKZPYQI-KKUMJFAQSA-N 1 3 245.370 1.949 20 0 BDADHO CCn1nccc1CC[N@H+](C)C1(CN)CCC1 ZINC000621775749 370522911 /nfs/dbraw/zinc/52/29/11/370522911.db2.gz XZIYXHKWKXQLAE-UHFFFAOYSA-N 1 3 236.363 1.259 20 0 BDADHO CCn1nccc1CC[N@@H+](C)C1(CN)CCC1 ZINC000621775749 370522916 /nfs/dbraw/zinc/52/29/16/370522916.db2.gz XZIYXHKWKXQLAE-UHFFFAOYSA-N 1 3 236.363 1.259 20 0 BDADHO N[C@@]12CCC[C@H]1C[N@H+](CCCCCF)C2 ZINC000621784035 370534541 /nfs/dbraw/zinc/53/45/41/370534541.db2.gz IQQOOCCWWKJPGW-NWDGAFQWSA-N 1 3 214.328 1.939 20 0 BDADHO N[C@@]12CCC[C@H]1C[N@@H+](CCCCCF)C2 ZINC000621784035 370534545 /nfs/dbraw/zinc/53/45/45/370534545.db2.gz IQQOOCCWWKJPGW-NWDGAFQWSA-N 1 3 214.328 1.939 20 0 BDADHO CC[NH2+]CCCN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000569106189 326390506 /nfs/dbraw/zinc/39/05/06/326390506.db2.gz UBGHLSGHZNTPOS-AAEUAGOBSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCCO1 ZINC000623968220 371204010 /nfs/dbraw/zinc/20/40/10/371204010.db2.gz XWKOJMYWFOHJLM-STQMWFEESA-N 1 3 244.379 1.112 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C(C)C ZINC000624121028 371321082 /nfs/dbraw/zinc/32/10/82/371321082.db2.gz MCFQJCHQSUYFLK-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H](O)CN(CCC[NH3+])Cc1ccccc1 ZINC000230026206 371636117 /nfs/dbraw/zinc/63/61/17/371636117.db2.gz GEWBKWHIINRGGU-LBPRGKRZSA-N 1 3 222.332 1.218 20 0 BDADHO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000164488779 372155096 /nfs/dbraw/zinc/15/50/96/372155096.db2.gz CBGNXDQGYRUZIW-GDLVEWKHSA-N 1 3 246.420 1.073 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822908 372600840 /nfs/dbraw/zinc/60/08/40/372600840.db2.gz RPWTXTPAHAUKMR-NOOOWODRSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822908 372600845 /nfs/dbraw/zinc/60/08/45/372600845.db2.gz RPWTXTPAHAUKMR-NOOOWODRSA-N 1 3 212.337 1.081 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000424377937 206040464 /nfs/dbraw/zinc/04/04/64/206040464.db2.gz NDRMWHSMBYMUSQ-ZLKJLUDKSA-N 1 3 249.358 1.413 20 0 BDADHO C[C@@H](N)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665921 206081253 /nfs/dbraw/zinc/08/12/53/206081253.db2.gz RKIYHBPHUINVLB-IUODEOHRSA-N 1 3 248.370 1.706 20 0 BDADHO C[C@@H](N)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000442665921 206081258 /nfs/dbraw/zinc/08/12/58/206081258.db2.gz RKIYHBPHUINVLB-IUODEOHRSA-N 1 3 248.370 1.706 20 0 BDADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1CCC[NH2+]1 ZINC000261684237 182364100 /nfs/dbraw/zinc/36/41/00/182364100.db2.gz HYJIQZOJAFUUBB-ZDUSSCGKSA-N 1 3 245.326 1.023 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C(C)C)N(C)C ZINC000162779026 169002740 /nfs/dbraw/zinc/00/27/40/169002740.db2.gz SBQQSSZVDAQKTM-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CCCC[C@H](COC)NC[C@@H](C)C[NH+](C)C ZINC000336676653 169003688 /nfs/dbraw/zinc/00/36/88/169003688.db2.gz BVTGXGPTCVMQMJ-CHWSQXEVSA-N 1 3 230.396 1.979 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336688730 169079231 /nfs/dbraw/zinc/07/92/31/169079231.db2.gz YQXIWZZFPUTYIQ-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336688730 169079232 /nfs/dbraw/zinc/07/92/32/169079232.db2.gz YQXIWZZFPUTYIQ-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO Oc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000040736483 183269049 /nfs/dbraw/zinc/26/90/49/183269049.db2.gz QSUCOZXKQMFPQB-UHFFFAOYSA-N 1 3 220.316 1.276 20 0 BDADHO Oc1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000040736483 183269052 /nfs/dbraw/zinc/26/90/52/183269052.db2.gz QSUCOZXKQMFPQB-UHFFFAOYSA-N 1 3 220.316 1.276 20 0 BDADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)OC)CC1 ZINC000049555404 169189635 /nfs/dbraw/zinc/18/96/35/169189635.db2.gz DMJVXYOYQKYRKS-NSHDSACASA-N 1 3 242.363 1.402 20 0 BDADHO c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccn1 ZINC000037408310 183349423 /nfs/dbraw/zinc/34/94/23/183349423.db2.gz FBHXAAACZXXVIW-ZDUSSCGKSA-N 1 3 231.343 1.656 20 0 BDADHO CCC[NH2+]CCNC(=O)[C@@H](CC)N(CC)CC ZINC000338226587 169258488 /nfs/dbraw/zinc/25/84/88/169258488.db2.gz IAWWPVPIKVCCQN-GFCCVEGCSA-N 1 3 243.395 1.223 20 0 BDADHO CCC[C@@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972766 169387851 /nfs/dbraw/zinc/38/78/51/169387851.db2.gz NAJOLPGTLSIFOY-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092630159 169386432 /nfs/dbraw/zinc/38/64/32/169386432.db2.gz WIMMSFWAPMHUPL-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092630159 169386434 /nfs/dbraw/zinc/38/64/34/169386434.db2.gz WIMMSFWAPMHUPL-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@@H](N)C(=O)NC1CC[NH+](CCC)CC1 ZINC000040829714 169389776 /nfs/dbraw/zinc/38/97/76/169389776.db2.gz LXJYTZDWZHCRAK-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224379037 134346269 /nfs/dbraw/zinc/34/62/69/134346269.db2.gz CVJAHRYAGMZDNM-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680191 169547476 /nfs/dbraw/zinc/54/74/76/169547476.db2.gz ZWEYAFPANNEDCE-AAEUAGOBSA-N 1 3 243.395 1.350 20 0 BDADHO COC[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069724535 383841415 /nfs/dbraw/zinc/84/14/15/383841415.db2.gz WBANXAPLUPMFLU-AXFHLTTASA-N 1 3 200.326 1.081 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313090354 383867051 /nfs/dbraw/zinc/86/70/51/383867051.db2.gz ACQLIBKQBBEQLB-CRWXNKLISA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313090354 383867054 /nfs/dbraw/zinc/86/70/54/383867054.db2.gz ACQLIBKQBBEQLB-CRWXNKLISA-N 1 3 240.391 1.752 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515490 383992879 /nfs/dbraw/zinc/99/28/79/383992879.db2.gz SWHRMLJCYZXOFU-ZFWWWQNUSA-N 1 3 248.370 1.604 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000113515490 383992884 /nfs/dbraw/zinc/99/28/84/383992884.db2.gz SWHRMLJCYZXOFU-ZFWWWQNUSA-N 1 3 248.370 1.604 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000643545082 384008215 /nfs/dbraw/zinc/00/82/15/384008215.db2.gz LUIYXKVVOJRZCN-STQMWFEESA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H](CCCCO)N[C@H]1CCCC[NH2+]C1 ZINC000643545295 384012715 /nfs/dbraw/zinc/01/27/15/384012715.db2.gz XCRRHTDUSAMKKE-NEPJUHHUSA-N 1 3 214.353 1.269 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545781 384014018 /nfs/dbraw/zinc/01/40/18/384014018.db2.gz CGPCTHDVJFXODK-QJPTWQEYSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545781 384014024 /nfs/dbraw/zinc/01/40/24/384014024.db2.gz CGPCTHDVJFXODK-QJPTWQEYSA-N 1 3 226.364 1.674 20 0 BDADHO Cc1cnn(CC[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000235954084 384075705 /nfs/dbraw/zinc/07/57/05/384075705.db2.gz NBDANIIJACYZSB-OLZOCXBDSA-N 1 3 236.363 1.299 20 0 BDADHO Cc1cnn(CCN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000235954084 384075707 /nfs/dbraw/zinc/07/57/07/384075707.db2.gz NBDANIIJACYZSB-OLZOCXBDSA-N 1 3 236.363 1.299 20 0 BDADHO C[C@H](CN[C@H]1CO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000401873372 384185755 /nfs/dbraw/zinc/18/57/55/384185755.db2.gz DAPKGXSNIDGVKA-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](C[NH2+][C@H]1CO[C@@H](C)C1)CN1CCCC1 ZINC000401873372 384185758 /nfs/dbraw/zinc/18/57/58/384185758.db2.gz DAPKGXSNIDGVKA-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]([NH2+]CCc1cn(C)cn1)[C@H]1CCCCN1 ZINC000313309632 384253664 /nfs/dbraw/zinc/25/36/64/384253664.db2.gz VMFFHLQLOKXFQG-DGCLKSJQSA-N 1 3 236.363 1.083 20 0 BDADHO CC(C)OCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645506 384254478 /nfs/dbraw/zinc/25/44/78/384254478.db2.gz IVRGDSBDPPXOST-NEPJUHHUSA-N 1 3 214.353 1.471 20 0 BDADHO Cc1c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cnn1C ZINC000228536641 384274913 /nfs/dbraw/zinc/27/49/13/384274913.db2.gz JTXDQJSPTCCSSA-IACUBPJLSA-N 1 3 248.374 1.288 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@@H](C)C1)CN1CCCCC1 ZINC000401915113 384280076 /nfs/dbraw/zinc/28/00/76/384280076.db2.gz AMNXAVXPFSBFDP-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000401915113 384280082 /nfs/dbraw/zinc/28/00/82/384280082.db2.gz AMNXAVXPFSBFDP-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000151103103 384538338 /nfs/dbraw/zinc/53/83/38/384538338.db2.gz VMTVFTDPBUCSTM-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[NH2+]Cc1ccncc1)CN(C)C ZINC000291698638 384565859 /nfs/dbraw/zinc/56/58/59/384565859.db2.gz JZKIIPRARLCJJU-LLVKDONJSA-N 1 3 207.321 1.369 20 0 BDADHO CO[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647538542 384667899 /nfs/dbraw/zinc/66/78/99/384667899.db2.gz XCHZEAIXLDRNOK-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647538540 384669051 /nfs/dbraw/zinc/66/90/51/384669051.db2.gz XCHZEAIXLDRNOK-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCCCN(CCO)C[C@]1(C)CC[NH2+]C1 ZINC000309816912 384636556 /nfs/dbraw/zinc/63/65/56/384636556.db2.gz BLITVCKTMFPDTF-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367601843 384643611 /nfs/dbraw/zinc/64/36/11/384643611.db2.gz PWQNXLLAKGCHPE-BFHYXJOUSA-N 1 3 248.374 1.681 20 0 BDADHO CC[NH+]1CCC(CNCc2c[nH]nc2C)CC1 ZINC000044517729 384652594 /nfs/dbraw/zinc/65/25/94/384652594.db2.gz FDZJJRPQWVGSNU-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO C[C@@H]1CC[C@@H](NC2CCSCC2)C[NH2+]1 ZINC000306686082 384660628 /nfs/dbraw/zinc/66/06/28/384660628.db2.gz JULUPLWTVGSGGB-MWLCHTKSSA-N 1 3 214.378 1.612 20 0 BDADHO Cn1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000647545752 384726249 /nfs/dbraw/zinc/72/62/49/384726249.db2.gz MHNPNSOBVQQDTK-OLZOCXBDSA-N 1 3 248.374 1.242 20 0 BDADHO CC(F)(F)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000357718274 384683799 /nfs/dbraw/zinc/68/37/99/384683799.db2.gz VIFWQDDOXUISBQ-BDAKNGLRSA-N 1 3 206.280 1.749 20 0 BDADHO CC(F)(F)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000357718274 384683802 /nfs/dbraw/zinc/68/38/02/384683802.db2.gz VIFWQDDOXUISBQ-BDAKNGLRSA-N 1 3 206.280 1.749 20 0 BDADHO CC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)OC ZINC000336659231 384683954 /nfs/dbraw/zinc/68/39/54/384683954.db2.gz IYKDDJLESCUBBV-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)OC ZINC000336659231 384683957 /nfs/dbraw/zinc/68/39/57/384683957.db2.gz IYKDDJLESCUBBV-RWMBFGLXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000082485276 384687485 /nfs/dbraw/zinc/68/74/85/384687485.db2.gz ZUPMOAVWDTVPNI-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO Cn1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000647545751 384726668 /nfs/dbraw/zinc/72/66/68/384726668.db2.gz MHNPNSOBVQQDTK-CHWSQXEVSA-N 1 3 248.374 1.242 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCCCF ZINC000308505999 384772912 /nfs/dbraw/zinc/77/29/12/384772912.db2.gz YZNINTOJZAPXET-GHMZBOCLSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCCCF ZINC000308505999 384772918 /nfs/dbraw/zinc/77/29/18/384772918.db2.gz YZNINTOJZAPXET-GHMZBOCLSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@H](N)c2ccccc2)C1 ZINC000647546572 384732802 /nfs/dbraw/zinc/73/28/02/384732802.db2.gz PWPMNEZCKJYVLB-UBHSHLNASA-N 1 3 233.359 1.274 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH3+])CN1Cc1ccccc1 ZINC000309960587 384734682 /nfs/dbraw/zinc/73/46/82/384734682.db2.gz YEJDTUDZWWPDOO-HIFRSBDPSA-N 1 3 247.386 1.588 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000309958760 384743109 /nfs/dbraw/zinc/74/31/09/384743109.db2.gz JXVRDEBPHZWFLC-GFCCVEGCSA-N 1 3 228.380 1.590 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398184700 384835701 /nfs/dbraw/zinc/83/57/01/384835701.db2.gz ILEDWMWURYAKEZ-UMVBOHGHSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398184700 384835707 /nfs/dbraw/zinc/83/57/07/384835707.db2.gz ILEDWMWURYAKEZ-UMVBOHGHSA-N 1 3 247.386 1.586 20 0 BDADHO C[NH2+]CCN[C@@H]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000423247028 384781972 /nfs/dbraw/zinc/78/19/72/384781972.db2.gz OPVCMQYTZPNKEW-HUUCEWRRSA-N 1 3 247.386 1.631 20 0 BDADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372219 384836450 /nfs/dbraw/zinc/83/64/50/384836450.db2.gz GXFAWKORQFTFES-UPJWGTAASA-N 1 3 236.363 1.731 20 0 BDADHO CC(C)CC[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077339229 384872694 /nfs/dbraw/zinc/87/26/94/384872694.db2.gz SWQTUJYQFGIOMJ-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)CC[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077339229 384872704 /nfs/dbraw/zinc/87/27/04/384872704.db2.gz SWQTUJYQFGIOMJ-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]C1CCN(C2CC2)CC1 ZINC000310197920 384887447 /nfs/dbraw/zinc/88/74/47/384887447.db2.gz BGZLNXOXTLIHGI-GFCCVEGCSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)(C)CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300766375 384889108 /nfs/dbraw/zinc/88/91/08/384889108.db2.gz DXJQXGREESKDBH-RYUDHWBXSA-N 1 3 210.365 1.964 20 0 BDADHO C(N1CC[C@@H](N2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992551 384896784 /nfs/dbraw/zinc/89/67/84/384896784.db2.gz SWLSXXPFEVMZGQ-SHARSMKWSA-N 1 3 249.402 1.299 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@H](C)O)CN1CCCCC1 ZINC000564843560 384958487 /nfs/dbraw/zinc/95/84/87/384958487.db2.gz AOZYGAPPPHXJTD-UPJWGTAASA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H](CN[C@H](C)[C@H](C)O)C[NH+]1CCCCC1 ZINC000564843560 384958496 /nfs/dbraw/zinc/95/84/96/384958496.db2.gz AOZYGAPPPHXJTD-UPJWGTAASA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])c1cccnc1 ZINC000259221244 384959373 /nfs/dbraw/zinc/95/93/73/384959373.db2.gz XOLHKZZQMZULET-STQMWFEESA-N 1 3 233.359 1.829 20 0 BDADHO C[C@@H](O)C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000644519238 384933648 /nfs/dbraw/zinc/93/36/48/384933648.db2.gz AELBKKRUPUXSPA-LLVKDONJSA-N 1 3 222.332 1.219 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)CC)C1 ZINC000644530161 384939987 /nfs/dbraw/zinc/93/99/87/384939987.db2.gz SUTUYSQNYLUBNV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)CC)C1 ZINC000644530161 384939989 /nfs/dbraw/zinc/93/99/89/384939989.db2.gz SUTUYSQNYLUBNV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)CC)C1 ZINC000644530161 384940002 /nfs/dbraw/zinc/94/00/02/384940002.db2.gz SUTUYSQNYLUBNV-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO Cc1cc(CNC[C@@H](C)C[NH3+])ccc1F ZINC000258747089 384940889 /nfs/dbraw/zinc/94/08/89/384940889.db2.gz LSCQTPMDKMSWLI-VIFPVBQESA-N 1 3 210.296 1.819 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)CN1CCCC1 ZINC000310341794 384992687 /nfs/dbraw/zinc/99/26/87/384992687.db2.gz MTOQQUSCADXTHP-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000310341794 384992691 /nfs/dbraw/zinc/99/26/91/384992691.db2.gz MTOQQUSCADXTHP-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](C)O)C1 ZINC000644603623 384997721 /nfs/dbraw/zinc/99/77/21/384997721.db2.gz HIKOODPGHKDNSQ-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](C)O)C1 ZINC000644603623 384997726 /nfs/dbraw/zinc/99/77/26/384997726.db2.gz HIKOODPGHKDNSQ-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000644603623 384997731 /nfs/dbraw/zinc/99/77/31/384997731.db2.gz HIKOODPGHKDNSQ-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO C(N[C@@H]1CC[C@@H]1C1CC1)[C@H]1C[NH2+]CCCO1 ZINC000423491437 384999324 /nfs/dbraw/zinc/99/93/24/384999324.db2.gz JQYDPOXPUSZLQU-JHJVBQTASA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H](O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000226437511 385022694 /nfs/dbraw/zinc/02/26/94/385022694.db2.gz FFDBCCRFMOCKGP-RYUDHWBXSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000226437511 385022701 /nfs/dbraw/zinc/02/27/01/385022701.db2.gz FFDBCCRFMOCKGP-RYUDHWBXSA-N 1 3 226.364 1.079 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000249894086 385005706 /nfs/dbraw/zinc/00/57/06/385005706.db2.gz RDRKDGINXGQPTI-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OC ZINC000310419284 385052668 /nfs/dbraw/zinc/05/26/68/385052668.db2.gz NXGFSTFYWAASPE-XJFOESAGSA-N 1 3 240.391 1.922 20 0 BDADHO CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246165356 385116576 /nfs/dbraw/zinc/11/65/76/385116576.db2.gz ARWLCBATKZTKMI-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO c1cncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000310561839 385117530 /nfs/dbraw/zinc/11/75/30/385117530.db2.gz KBMCMXBPVMRMDU-OKILXGFUSA-N 1 3 231.343 1.513 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000163478906 385128304 /nfs/dbraw/zinc/12/83/04/385128304.db2.gz JSDQYWJUGFUARG-ZYHUDNBSSA-N 1 3 249.358 1.512 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOCC1CC1 ZINC000404846912 385101035 /nfs/dbraw/zinc/10/10/35/385101035.db2.gz DWZQSYUBBZXJSK-MNOVXSKESA-N 1 3 212.337 1.128 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOCC1CC1 ZINC000404846912 385101039 /nfs/dbraw/zinc/10/10/39/385101039.db2.gz DWZQSYUBBZXJSK-MNOVXSKESA-N 1 3 212.337 1.128 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN[C@@H]1COCC1(C)C ZINC000313026674 385195487 /nfs/dbraw/zinc/19/54/87/385195487.db2.gz IGENAJSBJGGYRY-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN[C@@H]1COCC1(C)C ZINC000313026674 385195491 /nfs/dbraw/zinc/19/54/91/385195491.db2.gz IGENAJSBJGGYRY-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@]1(C)CCCO1 ZINC000227470121 385146691 /nfs/dbraw/zinc/14/66/91/385146691.db2.gz JGGKUTSNUJVREX-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO OCCCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157341900 385151662 /nfs/dbraw/zinc/15/16/62/385151662.db2.gz MKDYMCIWWDBMPI-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO OCCCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000157341900 385151664 /nfs/dbraw/zinc/15/16/64/385151664.db2.gz MKDYMCIWWDBMPI-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO OCCCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000157341900 385151666 /nfs/dbraw/zinc/15/16/66/385151666.db2.gz MKDYMCIWWDBMPI-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1ccccn1 ZINC000308858055 385217695 /nfs/dbraw/zinc/21/76/95/385217695.db2.gz OPFOHFKJZQKVIL-LLVKDONJSA-N 1 3 207.321 1.689 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000157576322 385218980 /nfs/dbraw/zinc/21/89/80/385218980.db2.gz HZRIENURLNBITH-IHRRRGAJSA-N 1 3 238.375 1.629 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000157576322 385218986 /nfs/dbraw/zinc/21/89/86/385218986.db2.gz HZRIENURLNBITH-IHRRRGAJSA-N 1 3 238.375 1.629 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)[C@@H]1CCCOC1 ZINC000157576322 385218994 /nfs/dbraw/zinc/21/89/94/385218994.db2.gz HZRIENURLNBITH-IHRRRGAJSA-N 1 3 238.375 1.629 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000166775498 385284289 /nfs/dbraw/zinc/28/42/89/385284289.db2.gz UEARPKZPHJVKFD-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)OC)C1 ZINC000166775498 385284299 /nfs/dbraw/zinc/28/42/99/385284299.db2.gz UEARPKZPHJVKFD-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H](C)OC)C1 ZINC000166775498 385284304 /nfs/dbraw/zinc/28/43/04/385284304.db2.gz UEARPKZPHJVKFD-YNEHKIRRSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2ccc(N)nc2)CC1 ZINC000647491931 385291309 /nfs/dbraw/zinc/29/13/09/385291309.db2.gz ZWTKNJQLCKTUBN-JTQLQIEISA-N 1 3 234.347 1.053 20 0 BDADHO C[C@H](CN)C[NH2+]C1Cc2ccccc2C1 ZINC000308977351 385330208 /nfs/dbraw/zinc/33/02/08/385330208.db2.gz IYJZHKJPPXRDPT-SNVBAGLBSA-N 1 3 204.317 1.338 20 0 BDADHO C[C@H](C[NH3+])CNC1Cc2ccccc2C1 ZINC000308977351 385330213 /nfs/dbraw/zinc/33/02/13/385330213.db2.gz IYJZHKJPPXRDPT-SNVBAGLBSA-N 1 3 204.317 1.338 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1CCc2ccccc21 ZINC000308992677 385336126 /nfs/dbraw/zinc/33/61/26/385336126.db2.gz OIIAHWAVYQHIOH-GWCFXTLKSA-N 1 3 204.317 1.858 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)OC ZINC000308994920 385336477 /nfs/dbraw/zinc/33/64/77/385336477.db2.gz PJACQVIQKMTLBD-UTUOFQBUSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1C[C@H](NCCOC(F)(F)F)CC[N@@H+]1C ZINC000158225771 385367441 /nfs/dbraw/zinc/36/74/41/385367441.db2.gz YZMAXNISVMVEHE-RKDXNWHRSA-N 1 3 240.269 1.595 20 0 BDADHO C[C@@H]1C[C@H](NCCOC(F)(F)F)CC[N@H+]1C ZINC000158225771 385367444 /nfs/dbraw/zinc/36/74/44/385367444.db2.gz YZMAXNISVMVEHE-RKDXNWHRSA-N 1 3 240.269 1.595 20 0 BDADHO COCC(C)(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000179421894 385374373 /nfs/dbraw/zinc/37/43/73/385374373.db2.gz LRPCEKGMKSEOKJ-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO COCC(C)(C)NCC[C@@H]1CCC[N@H+]1C ZINC000179421894 385374380 /nfs/dbraw/zinc/37/43/80/385374380.db2.gz LRPCEKGMKSEOKJ-NSHDSACASA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)CCC[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336720475 385467071 /nfs/dbraw/zinc/46/70/71/385467071.db2.gz WQXLTGUSDYCLIH-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)CCC[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336720475 385467073 /nfs/dbraw/zinc/46/70/73/385467073.db2.gz WQXLTGUSDYCLIH-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208359 385482248 /nfs/dbraw/zinc/48/22/48/385482248.db2.gz BKPLUFQNOFNRMJ-YPMHNXCESA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208359 385482253 /nfs/dbraw/zinc/48/22/53/385482253.db2.gz BKPLUFQNOFNRMJ-YPMHNXCESA-N 1 3 226.364 1.173 20 0 BDADHO Cn1ccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257705027 385490810 /nfs/dbraw/zinc/49/08/10/385490810.db2.gz RBVFGERYVACGCJ-UHFFFAOYSA-N 1 3 233.359 1.601 20 0 BDADHO CC1(C)CN[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000644116224 385496009 /nfs/dbraw/zinc/49/60/09/385496009.db2.gz WCRXBIZTDYPWFM-NSHDSACASA-N 1 3 233.315 1.082 20 0 BDADHO CC[C@@](C)(C[NH2+]CC1=CCN(C)CC1)OC ZINC000319067314 385545148 /nfs/dbraw/zinc/54/51/48/385545148.db2.gz PZHMTAIUABXCHF-ZDUSSCGKSA-N 1 3 226.364 1.653 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000309354885 385548192 /nfs/dbraw/zinc/54/81/92/385548192.db2.gz NTFXIMITUYGZCR-SMDDNHRTSA-N 1 3 218.344 1.728 20 0 BDADHO Cc1cc(CN2CCC([C@H](C)[NH3+])CC2)on1 ZINC000082475053 385551575 /nfs/dbraw/zinc/55/15/75/385551575.db2.gz ZPEYXGNAXDTMGY-JTQLQIEISA-N 1 3 223.320 1.542 20 0 BDADHO Fc1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000647789594 385619551 /nfs/dbraw/zinc/61/95/51/385619551.db2.gz HWZJSVGVSYOARE-GMXVVIOVSA-N 1 3 249.333 1.698 20 0 BDADHO CCOC[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848328 385612901 /nfs/dbraw/zinc/61/29/01/385612901.db2.gz GNRNRJKOQLVXAH-SRVKXCTJSA-N 1 3 214.353 1.389 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000414848328 385612910 /nfs/dbraw/zinc/61/29/10/385612910.db2.gz GNRNRJKOQLVXAH-SRVKXCTJSA-N 1 3 214.353 1.389 20 0 BDADHO FCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336686232 385702069 /nfs/dbraw/zinc/70/20/69/385702069.db2.gz KXXXNDYQNSPTAP-GFCCVEGCSA-N 1 3 214.328 1.812 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000128524507 385731299 /nfs/dbraw/zinc/73/12/99/385731299.db2.gz DOMINLNBDMUOLY-TZMCWYRMSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](CC1CCOCC1)N[C@@H]1CCC[NH2+]C1 ZINC000414858980 385734485 /nfs/dbraw/zinc/73/44/85/385734485.db2.gz AEKRGUPVJVTENX-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@H](CC(C)C)NC[C@@H]1CCC[NH2+]C1 ZINC000414859840 385737007 /nfs/dbraw/zinc/73/70/07/385737007.db2.gz UTJPCQFQCPCAQN-OLZOCXBDSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@H](CC(C)C)[NH2+]C[C@@H]1CCCNC1 ZINC000414859840 385737012 /nfs/dbraw/zinc/73/70/12/385737012.db2.gz UTJPCQFQCPCAQN-OLZOCXBDSA-N 1 3 228.380 1.637 20 0 BDADHO CCCC[C@@H](COC)NC[C@H]1CCC[NH2+]C1 ZINC000414860880 385743235 /nfs/dbraw/zinc/74/32/35/385743235.db2.gz WCPICYDQPSNBER-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO CCCC[C@@H](COC)[NH2+]C[C@H]1CCCNC1 ZINC000414860880 385743237 /nfs/dbraw/zinc/74/32/37/385743237.db2.gz WCPICYDQPSNBER-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO CCCC[C@@H](COC)NC[C@@H]1CCC[NH2+]C1 ZINC000414860878 385743676 /nfs/dbraw/zinc/74/36/76/385743676.db2.gz WCPICYDQPSNBER-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO CCCC[C@@H](COC)[NH2+]C[C@@H]1CCCNC1 ZINC000414860878 385743678 /nfs/dbraw/zinc/74/36/78/385743678.db2.gz WCPICYDQPSNBER-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCc2ccc(OC)cc2C1 ZINC000414862112 385750756 /nfs/dbraw/zinc/75/07/56/385750756.db2.gz USMYEEKDOXEWAM-CQSZACIVSA-N 1 3 248.370 1.752 20 0 BDADHO CNCCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000414862112 385750759 /nfs/dbraw/zinc/75/07/59/385750759.db2.gz USMYEEKDOXEWAM-CQSZACIVSA-N 1 3 248.370 1.752 20 0 BDADHO CCn1ccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647799878 385799462 /nfs/dbraw/zinc/79/94/62/385799462.db2.gz RYYWORHIAUISTB-YNEHKIRRSA-N 1 3 248.374 1.381 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000414946657 385808825 /nfs/dbraw/zinc/80/88/25/385808825.db2.gz UQBUCIXKCRSAKJ-AVGNSLFASA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CC(C)C)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000414946657 385808829 /nfs/dbraw/zinc/80/88/29/385808829.db2.gz UQBUCIXKCRSAKJ-AVGNSLFASA-N 1 3 228.380 1.635 20 0 BDADHO [NH3+]CC1(CNC[C@H]2NCCc3ccccc32)CC1 ZINC000414950208 385816855 /nfs/dbraw/zinc/81/68/55/385816855.db2.gz DTFGPTCPWKCWFB-CQSZACIVSA-N 1 3 245.370 1.202 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000366630318 385854903 /nfs/dbraw/zinc/85/49/03/385854903.db2.gz QPNUOTUPCKJBOI-STQMWFEESA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000366630318 385854905 /nfs/dbraw/zinc/85/49/05/385854905.db2.gz QPNUOTUPCKJBOI-STQMWFEESA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@@H](O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000366630318 385854907 /nfs/dbraw/zinc/85/49/07/385854907.db2.gz QPNUOTUPCKJBOI-STQMWFEESA-N 1 3 228.380 1.419 20 0 BDADHO [NH3+]C1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCC1 ZINC000414874652 385887463 /nfs/dbraw/zinc/88/74/63/385887463.db2.gz IRGAAONMTRSFRC-TUAOUCFPSA-N 1 3 236.359 1.415 20 0 BDADHO CC[NH2+][C@H](C)CNC[C@H]1CCO[C@H](CC)C1 ZINC000414962914 385889358 /nfs/dbraw/zinc/88/93/58/385889358.db2.gz SXXKKZDUAZQFNG-FRRDWIJNSA-N 1 3 228.380 1.779 20 0 BDADHO COC1(C[NH2+]C2CCNCC2)CCCC1 ZINC000308912424 385909390 /nfs/dbraw/zinc/90/93/90/385909390.db2.gz YEPIUKCLISAEFH-UHFFFAOYSA-N 1 3 212.337 1.287 20 0 BDADHO COC1(CNC2CC[NH2+]CC2)CCCC1 ZINC000308912424 385909394 /nfs/dbraw/zinc/90/93/94/385909394.db2.gz YEPIUKCLISAEFH-UHFFFAOYSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@@H](C(=O)NCC(C)(C)[NH3+])[C@H](N)c1ccccc1 ZINC000262651035 385870578 /nfs/dbraw/zinc/87/05/78/385870578.db2.gz VGXPHAQGIJWXOT-PWSUYJOCSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc(-n2cccn2)cc1 ZINC000414872929 385871759 /nfs/dbraw/zinc/87/17/59/385871759.db2.gz GPDHHQXTDQSFBQ-GFCCVEGCSA-N 1 3 244.342 1.557 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]C[C@@H](C)CN)n1 ZINC000414874195 385881264 /nfs/dbraw/zinc/88/12/64/385881264.db2.gz IMUCDMZQNZVDHO-QWRGUYRKSA-N 1 3 237.347 1.206 20 0 BDADHO COc1cccc(C[C@H](C)NC[C@@H](C)C[NH3+])n1 ZINC000414874195 385881267 /nfs/dbraw/zinc/88/12/67/385881267.db2.gz IMUCDMZQNZVDHO-QWRGUYRKSA-N 1 3 237.347 1.206 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994619 /nfs/dbraw/zinc/99/46/19/385994619.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994634 /nfs/dbraw/zinc/99/46/34/385994634.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994640 /nfs/dbraw/zinc/99/46/40/385994640.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000425417305 385994646 /nfs/dbraw/zinc/99/46/46/385994646.db2.gz HKGOQSWKQQNBCI-GXTWGEPZSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000338355409 385977419 /nfs/dbraw/zinc/97/74/19/385977419.db2.gz JJHKGQBUTSPWPV-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000338355409 385977422 /nfs/dbraw/zinc/97/74/22/385977422.db2.gz JJHKGQBUTSPWPV-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CC(C(F)(F)F)C1 ZINC000335018957 385977854 /nfs/dbraw/zinc/97/78/54/385977854.db2.gz XYKURWZWBFPYOB-SEZDTBSWSA-N 1 3 236.281 1.915 20 0 BDADHO CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000295202335 385991534 /nfs/dbraw/zinc/99/15/34/385991534.db2.gz PFQDQGSXCWZQES-OLZOCXBDSA-N 1 3 249.358 1.176 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CNC3)CCO1 ZINC000335064053 386034320 /nfs/dbraw/zinc/03/43/20/386034320.db2.gz RSYXANPLRQDXRE-NHYWBVRUSA-N 1 3 246.354 1.947 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)CN(C)C ZINC000336738547 386107010 /nfs/dbraw/zinc/10/70/10/386107010.db2.gz KIMDIDOQWFFEDB-AGIUHOORSA-N 1 3 228.380 1.589 20 0 BDADHO CSCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334455854 386107778 /nfs/dbraw/zinc/10/77/78/386107778.db2.gz GPAULNKVYCHIJN-LBPRGKRZSA-N 1 3 228.405 1.767 20 0 BDADHO CSCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334455854 386107780 /nfs/dbraw/zinc/10/77/80/386107780.db2.gz GPAULNKVYCHIJN-LBPRGKRZSA-N 1 3 228.405 1.767 20 0 BDADHO CSC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404931 386079638 /nfs/dbraw/zinc/07/96/38/386079638.db2.gz RLQJCHUSQOKUTO-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO CSC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404931 386079644 /nfs/dbraw/zinc/07/96/44/386079644.db2.gz RLQJCHUSQOKUTO-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO Cc1cc(F)ccc1CNC[C@@H](C)C[NH3+] ZINC000414887129 386084321 /nfs/dbraw/zinc/08/43/21/386084321.db2.gz YTFOVFOQKOOXBW-VIFPVBQESA-N 1 3 210.296 1.819 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2)CCO1 ZINC000414892763 386151244 /nfs/dbraw/zinc/15/12/44/386151244.db2.gz YIGZYLQZMDPUTK-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000414697639 386202561 /nfs/dbraw/zinc/20/25/61/386202561.db2.gz CJTKEZWTOYSOME-MELADBBJSA-N 1 3 242.407 1.843 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000414697639 386202565 /nfs/dbraw/zinc/20/25/65/386202565.db2.gz CJTKEZWTOYSOME-MELADBBJSA-N 1 3 242.407 1.843 20 0 BDADHO [NH3+]CCCN1CCCN(c2ccccc2)CC1 ZINC000414700948 386202995 /nfs/dbraw/zinc/20/29/95/386202995.db2.gz ZYJPWMANUBLTBD-UHFFFAOYSA-N 1 3 233.359 1.548 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)C[C@H](C)O1 ZINC000414699423 386205554 /nfs/dbraw/zinc/20/55/54/386205554.db2.gz YOGDCOJRSNNUPN-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000414700798 386207134 /nfs/dbraw/zinc/20/71/34/386207134.db2.gz GJANSCYUBCIPKF-NWDGAFQWSA-N 1 3 230.396 1.699 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000414700798 386207139 /nfs/dbraw/zinc/20/71/39/386207139.db2.gz GJANSCYUBCIPKF-NWDGAFQWSA-N 1 3 230.396 1.699 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](C)O ZINC000339096374 386242786 /nfs/dbraw/zinc/24/27/86/386242786.db2.gz LXPSYKMCRJPCMG-RDBSUJKOSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)O ZINC000339096374 386242792 /nfs/dbraw/zinc/24/27/92/386242792.db2.gz LXPSYKMCRJPCMG-RDBSUJKOSA-N 1 3 242.407 1.857 20 0 BDADHO CC[C@H]1C[C@@H](CN2CCC([NH2+]C)CC2)CCO1 ZINC000347140055 386257034 /nfs/dbraw/zinc/25/70/34/386257034.db2.gz WAJCXGKJWXBESZ-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H]1C[C@@H](C[NH+]2CCC(NC)CC2)CCO1 ZINC000347140055 386257039 /nfs/dbraw/zinc/25/70/39/386257039.db2.gz WAJCXGKJWXBESZ-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000264974100 386288635 /nfs/dbraw/zinc/28/86/35/386288635.db2.gz JDSLLPKUOJHPOL-AWEZNQCLSA-N 1 3 233.359 1.508 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCc2ccncc2)C1 ZINC000264974100 386288640 /nfs/dbraw/zinc/28/86/40/386288640.db2.gz JDSLLPKUOJHPOL-AWEZNQCLSA-N 1 3 233.359 1.508 20 0 BDADHO CCN1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000414735253 386310401 /nfs/dbraw/zinc/31/04/01/386310401.db2.gz GRFNKPJVHUFEME-QWHCGFSZSA-N 1 3 241.423 1.789 20 0 BDADHO CO[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000336652979 386269961 /nfs/dbraw/zinc/26/99/61/386269961.db2.gz XKFGWSVHHYRIFF-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000336652979 386269963 /nfs/dbraw/zinc/26/99/63/386269963.db2.gz XKFGWSVHHYRIFF-NWDGAFQWSA-N 1 3 212.337 1.191 20 0 BDADHO Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000335276784 386341489 /nfs/dbraw/zinc/34/14/89/386341489.db2.gz FQDBYAAVEJFXJW-CHWSQXEVSA-N 1 3 219.332 1.628 20 0 BDADHO CC(C)[NH+]1CCC(N(C)C[C@@H](C)O)CC1 ZINC000336689370 386353879 /nfs/dbraw/zinc/35/38/79/386353879.db2.gz CDPPFJITWJSRDB-LLVKDONJSA-N 1 3 214.353 1.172 20 0 BDADHO C1CC[C@H](N[C@@H]2CCCOCC2)C[NH2+]C1 ZINC000335272156 386359894 /nfs/dbraw/zinc/35/98/94/386359894.db2.gz YNOVLQIYVBCUSG-NEPJUHHUSA-N 1 3 212.337 1.287 20 0 BDADHO CC[C@H](COC)NC[C@]1(C)CCC[NH2+]C1 ZINC000414906213 386370917 /nfs/dbraw/zinc/37/09/17/386370917.db2.gz MFIUHUWLXZVAHY-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@]1(C)CCCNC1 ZINC000414906213 386370923 /nfs/dbraw/zinc/37/09/23/386370923.db2.gz MFIUHUWLXZVAHY-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H](N)CC(C)C)C[C@H]1O ZINC000414752401 386381486 /nfs/dbraw/zinc/38/14/86/386381486.db2.gz BVJYPYZBPDSHMK-IJLUTSLNSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H](N)CC(C)C)C[C@H]1O ZINC000414752401 386381494 /nfs/dbraw/zinc/38/14/94/386381494.db2.gz BVJYPYZBPDSHMK-IJLUTSLNSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000236914991 386326249 /nfs/dbraw/zinc/32/62/49/386326249.db2.gz MGUVFLMYACCPLU-ZDUSSCGKSA-N 1 3 249.358 1.102 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336677911 386331583 /nfs/dbraw/zinc/33/15/83/386331583.db2.gz ACYQAHLJMIWIHS-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336677911 386331586 /nfs/dbraw/zinc/33/15/86/386331586.db2.gz ACYQAHLJMIWIHS-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)C(C)(C)C)C1 ZINC000336677911 386331589 /nfs/dbraw/zinc/33/15/89/386331589.db2.gz ACYQAHLJMIWIHS-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)C(C)(C)C)C1 ZINC000336677911 386331591 /nfs/dbraw/zinc/33/15/91/386331591.db2.gz ACYQAHLJMIWIHS-OLZOCXBDSA-N 1 3 242.407 1.667 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CC[NH2+]C2)C[C@H]1C ZINC000647989117 386336334 /nfs/dbraw/zinc/33/63/34/386336334.db2.gz LCKBIKAKBAVQCX-AGIUHOORSA-N 1 3 225.380 1.010 20 0 BDADHO C[NH2+]C[C@](C)(O)CN(C)CC1CCCCC1 ZINC000519411366 386437124 /nfs/dbraw/zinc/43/71/24/386437124.db2.gz CHWPVKJNWTZWGO-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000336718823 386439926 /nfs/dbraw/zinc/43/99/26/386439926.db2.gz XIGIDLCRUHVMAK-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000336718823 386439932 /nfs/dbraw/zinc/43/99/32/386439932.db2.gz XIGIDLCRUHVMAK-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@H]([NH2+]CC1=CCN(C)CC1)C1CC1 ZINC000336775477 386388565 /nfs/dbraw/zinc/38/85/65/386388565.db2.gz ZEBSWOZAQZDGMW-CYBMUJFWSA-N 1 3 224.348 1.263 20 0 BDADHO CC(C)[C@@H](C(=O)NCC(C)(C)[NH+](C)C)N(C)C ZINC000347352774 386391895 /nfs/dbraw/zinc/39/18/95/386391895.db2.gz UTLFXBCPCXYJRX-NSHDSACASA-N 1 3 243.395 1.029 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000391121255 386409957 /nfs/dbraw/zinc/40/99/57/386409957.db2.gz BJCOWZQQWNUUOV-MNOVXSKESA-N 1 3 239.388 1.793 20 0 BDADHO Cc1c(CN2CCC[C@@H](CC[NH3+])C2)cnn1C ZINC000093651378 386434565 /nfs/dbraw/zinc/43/45/65/386434565.db2.gz BCMBTFSHZOQWQZ-LBPRGKRZSA-N 1 3 236.363 1.289 20 0 BDADHO Cc1cc(N)cc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000335365188 386477151 /nfs/dbraw/zinc/47/71/51/386477151.db2.gz ZCSLSGGQAOQCDP-OLZOCXBDSA-N 1 3 219.332 1.547 20 0 BDADHO Cc1ncsc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000391204694 386481142 /nfs/dbraw/zinc/48/11/42/386481142.db2.gz ZHADTGRMVYDSQH-QWRGUYRKSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncsc1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000391204694 386481147 /nfs/dbraw/zinc/48/11/47/386481147.db2.gz ZHADTGRMVYDSQH-QWRGUYRKSA-N 1 3 239.388 1.711 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)NCCCc1ccc2c(c1)CCO2 ZINC000415015296 386500596 /nfs/dbraw/zinc/50/05/96/386500596.db2.gz MREPLYOMXRILAG-NEPJUHHUSA-N 1 3 248.370 1.879 20 0 BDADHO CCc1ccccc1[C@@H](N)CN[C@H]1CCC[NH2+]C1 ZINC000415044222 386529754 /nfs/dbraw/zinc/52/97/54/386529754.db2.gz BLLZTOIJQRQPJO-ZFWWWQNUSA-N 1 3 247.386 1.590 20 0 BDADHO c1cncc([C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000335448010 386513853 /nfs/dbraw/zinc/51/38/53/386513853.db2.gz JIBRRIITQQUPDI-ZFWWWQNUSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c1 ZINC000335448010 386513856 /nfs/dbraw/zinc/51/38/56/386513856.db2.gz JIBRRIITQQUPDI-ZFWWWQNUSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c1 ZINC000335448010 386513859 /nfs/dbraw/zinc/51/38/59/386513859.db2.gz JIBRRIITQQUPDI-ZFWWWQNUSA-N 1 3 245.370 1.871 20 0 BDADHO COc1cc(C)nc(CN[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415030717 386519073 /nfs/dbraw/zinc/51/90/73/386519073.db2.gz FYSGOMBXFJGSOP-NEPJUHHUSA-N 1 3 249.358 1.616 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000415030599 386519741 /nfs/dbraw/zinc/51/97/41/386519741.db2.gz FDMSCGIGXIAPPN-QKFSQAGISA-N 1 3 208.349 1.619 20 0 BDADHO O[C@@H]1C[NH2+]C[C@H]1CNCCCC1CCCCC1 ZINC000414773400 386464533 /nfs/dbraw/zinc/46/45/33/386464533.db2.gz AEFNRBHYTRSACE-ZIAGYGMSSA-N 1 3 240.391 1.517 20 0 BDADHO CC(C)[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000414922116 386591449 /nfs/dbraw/zinc/59/14/49/386591449.db2.gz GKFSYMGBLJGENX-YNEHKIRRSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045230 386531731 /nfs/dbraw/zinc/53/17/31/386531731.db2.gz TVBMMNIKWXGACI-PWSUYJOCSA-N 1 3 212.337 1.143 20 0 BDADHO FC(F)(F)[C@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415053338 386533878 /nfs/dbraw/zinc/53/38/78/386533878.db2.gz DQBRZGWVIKRXSI-OGBGREFGSA-N 1 3 248.292 1.915 20 0 BDADHO C[C@H]1CCC[C@@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415059496 386540654 /nfs/dbraw/zinc/54/06/54/386540654.db2.gz JITPPCPISYQULP-OBPIAQAESA-N 1 3 208.349 1.620 20 0 BDADHO C[C@H](CC1CCCCC1)CN(C)C[C@H](O)C[NH3+] ZINC000415064449 386543737 /nfs/dbraw/zinc/54/37/37/386543737.db2.gz CNXNYCCVZWHIKI-TZMCWYRMSA-N 1 3 242.407 1.844 20 0 BDADHO c1cnn(CCN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000063200222 386547025 /nfs/dbraw/zinc/54/70/25/386547025.db2.gz ZFAQOXHWDXWNKG-AWEZNQCLSA-N 1 3 248.374 1.347 20 0 BDADHO C1CC1[C@@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415066568 386548540 /nfs/dbraw/zinc/54/85/40/386548540.db2.gz TWLHPCAYDZADDD-ODXJTPSBSA-N 1 3 220.360 1.763 20 0 BDADHO Cc1ccc(N[C@H]2CC[NH2+]C2)c(CN(C)C)c1 ZINC000415112072 386619348 /nfs/dbraw/zinc/61/93/48/386619348.db2.gz CSOZMSVWZWSWKU-ZDUSSCGKSA-N 1 3 233.359 1.830 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)CCO1 ZINC000414809028 386623743 /nfs/dbraw/zinc/62/37/43/386623743.db2.gz TUZCBZHMAYBLNX-CRWXNKLISA-N 1 3 240.391 1.907 20 0 BDADHO CC(C)(N)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414808457 386624666 /nfs/dbraw/zinc/62/46/66/386624666.db2.gz SYEGBWPCDJQPFR-UHFFFAOYSA-N 1 3 245.330 1.094 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CCO1 ZINC000414809036 386625365 /nfs/dbraw/zinc/62/53/65/386625365.db2.gz TUZCBZHMAYBLNX-SYQHCUMBSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C1CNC1 ZINC000335501374 386630361 /nfs/dbraw/zinc/63/03/61/386630361.db2.gz SDFUNDPTNMOICP-ZUYNKMSQSA-N 1 3 208.349 1.763 20 0 BDADHO COC[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCCC1 ZINC000425919112 386633275 /nfs/dbraw/zinc/63/32/75/386633275.db2.gz IOYZJTVYOVSZIH-GXTWGEPZSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H]1CC[C@H]1[NH2+]CCOCCN(C)C ZINC000336758353 386634333 /nfs/dbraw/zinc/63/43/33/386634333.db2.gz JPSGBGVTTXJTPO-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCO[C@@H]2C)cc1 ZINC000414815575 386650082 /nfs/dbraw/zinc/65/00/82/386650082.db2.gz XQKJDJWAFYMYGN-MISXGVKJSA-N 1 3 234.343 1.973 20 0 BDADHO C1C[C@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCCNCC2)O1 ZINC000415082211 386599138 /nfs/dbraw/zinc/59/91/38/386599138.db2.gz CSLMNUWKIFOOAW-AAVRWANBSA-N 1 3 238.375 1.676 20 0 BDADHO CO[C@@H]1CCCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000415082381 386599261 /nfs/dbraw/zinc/59/92/61/386599261.db2.gz OGBYMPZNOKXDQX-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000415082381 386599266 /nfs/dbraw/zinc/59/92/66/386599266.db2.gz OGBYMPZNOKXDQX-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO C([NH2+][C@H]1CCC12CCC2)[C@@H]1CNCCCO1 ZINC000335489394 386606984 /nfs/dbraw/zinc/60/69/84/386606984.db2.gz VLJHLKIBNXEJSO-RYUDHWBXSA-N 1 3 224.348 1.287 20 0 BDADHO C(N[C@H]1CCC12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335489394 386606989 /nfs/dbraw/zinc/60/69/89/386606989.db2.gz VLJHLKIBNXEJSO-RYUDHWBXSA-N 1 3 224.348 1.287 20 0 BDADHO C([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)[C@@H]1CCCNC1 ZINC000415091793 386610228 /nfs/dbraw/zinc/61/02/28/386610228.db2.gz QWVXIGOCAXUFGH-SYQHCUMBSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCCNC1 ZINC000415093233 386613381 /nfs/dbraw/zinc/61/33/81/386613381.db2.gz UUNIPZKUVZDQST-SCRDCRAPSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CNCC[C@@H]1CCOC1 ZINC000414926792 386675330 /nfs/dbraw/zinc/67/53/30/386675330.db2.gz KYANXPBBAVGBEQ-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)CN)CCC2 ZINC000335469030 386686879 /nfs/dbraw/zinc/68/68/79/386686879.db2.gz XRWWAVWXDHNTNJ-VXNVDRBHSA-N 1 3 225.361 1.766 20 0 BDADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)[C@@H]2CCO[C@@H]21 ZINC000414927333 386695152 /nfs/dbraw/zinc/69/51/52/386695152.db2.gz PAGSUEFCBCFNNR-OFTGVCEQSA-N 1 3 238.375 1.659 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000520604816 386705304 /nfs/dbraw/zinc/70/53/04/386705304.db2.gz YVXCUWWQPXFQCO-NWDGAFQWSA-N 1 3 242.363 1.531 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000335480715 386707051 /nfs/dbraw/zinc/70/70/51/386707051.db2.gz OURIRDNRUZEJMO-SECBINFHSA-N 1 3 236.363 1.586 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@@H](CN)C1CCCCC1 ZINC000414830062 386707480 /nfs/dbraw/zinc/70/74/80/386707480.db2.gz ALHYVZQBWZUOBW-KBPBESRZSA-N 1 3 241.423 1.857 20 0 BDADHO C[NH2+]CCN[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000414832002 386716056 /nfs/dbraw/zinc/71/60/56/386716056.db2.gz QNEACCHZDQEMGV-UKRRQHHQSA-N 1 3 247.386 1.316 20 0 BDADHO C[NH2+]CCN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000414832000 386718314 /nfs/dbraw/zinc/71/83/14/386718314.db2.gz QNEACCHZDQEMGV-DZGCQCFKSA-N 1 3 247.386 1.316 20 0 BDADHO N[C@@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414834735 386723600 /nfs/dbraw/zinc/72/36/00/386723600.db2.gz QTECQCFNXBTEIV-STQMWFEESA-N 1 3 219.332 1.028 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@H](C)Cn1cccn1 ZINC000414835729 386728557 /nfs/dbraw/zinc/72/85/57/386728557.db2.gz HPUYEQSCOOZHLK-VXGBXAGGSA-N 1 3 224.352 1.235 20 0 BDADHO CC(C)C[C@@H](C[NH3+])N[C@H](C)Cn1cccn1 ZINC000414835724 386728952 /nfs/dbraw/zinc/72/89/52/386728952.db2.gz HPUYEQSCOOZHLK-NEPJUHHUSA-N 1 3 224.352 1.235 20 0 BDADHO CC(C)C[C@@H](CN)[NH2+]Cc1cnc2cnccn12 ZINC000414839596 386745584 /nfs/dbraw/zinc/74/55/84/386745584.db2.gz LNYUZUHMDXZTRD-NSHDSACASA-N 1 3 247.346 1.192 20 0 BDADHO N[C@H](CNC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838912 386742876 /nfs/dbraw/zinc/74/28/76/386742876.db2.gz VXJGBLQAOSRJBV-GXTWGEPZSA-N 1 3 233.359 1.276 20 0 BDADHO CCCN(C)CC(=O)N(CCC)CC[NH+](C)C ZINC000344820406 386778435 /nfs/dbraw/zinc/77/84/35/386778435.db2.gz CLYWRZXLOKPOIY-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071952 386786998 /nfs/dbraw/zinc/78/69/98/386786998.db2.gz CJGSOVHGEHHHSS-OLZOCXBDSA-N 1 3 238.375 1.439 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000396601067 386788088 /nfs/dbraw/zinc/78/80/88/386788088.db2.gz AURDGLJZAUVHLZ-DDHJBXDOSA-N 1 3 212.337 1.284 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCNCc2ccccc21 ZINC000414845648 386807050 /nfs/dbraw/zinc/80/70/50/386807050.db2.gz MHYZSPZYIHRRSL-CQSZACIVSA-N 1 3 247.386 1.970 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)[C@H]1NCCCC1(C)C ZINC000417850173 386808305 /nfs/dbraw/zinc/80/83/05/386808305.db2.gz MCOVLWXBZOOLMG-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO COC1CCC([NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000414846930 386826504 /nfs/dbraw/zinc/82/65/04/386826504.db2.gz FMBDTUCZTMSXQB-MRFVTOPCSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH+](C)CC1CCN(Cc2cccnc2)CC1 ZINC000341169002 386849323 /nfs/dbraw/zinc/84/93/23/386849323.db2.gz GZTKINYNEDNPTB-UHFFFAOYSA-N 1 3 233.359 1.855 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H](C)Cc1ccccc1F ZINC000414941583 386887384 /nfs/dbraw/zinc/88/73/84/386887384.db2.gz IYFHXFVVECQTHX-UWVGGRQHSA-N 1 3 210.296 1.694 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414943220 386896949 /nfs/dbraw/zinc/89/69/49/386896949.db2.gz NNUOOGWILDNHFY-WDEREUQCSA-N 1 3 242.363 1.163 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414943220 386896954 /nfs/dbraw/zinc/89/69/54/386896954.db2.gz NNUOOGWILDNHFY-WDEREUQCSA-N 1 3 242.363 1.163 20 0 BDADHO COC[C@]1(CN[C@@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000414942236 386900705 /nfs/dbraw/zinc/90/07/05/386900705.db2.gz JVIHAXWYQFRPDX-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@H](C2CCC2)C1 ZINC000334856491 386909061 /nfs/dbraw/zinc/90/90/61/386909061.db2.gz ZKSMUDOCOBLHOP-AWEZNQCLSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@H](O)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331935946 386928484 /nfs/dbraw/zinc/92/84/84/386928484.db2.gz HXRIJSDAIOFMOD-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](C)C[C@H]2C)nc1 ZINC000358358333 386940797 /nfs/dbraw/zinc/94/07/97/386940797.db2.gz RREUNXDLHWQZLZ-CHWSQXEVSA-N 1 3 248.374 1.257 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@H+](C)C[C@H]2C)nc1 ZINC000358358333 386940803 /nfs/dbraw/zinc/94/08/03/386940803.db2.gz RREUNXDLHWQZLZ-CHWSQXEVSA-N 1 3 248.374 1.257 20 0 BDADHO CCN(CC)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395167284 386953761 /nfs/dbraw/zinc/95/37/61/386953761.db2.gz UUUSMQXHVWSAOB-CHWSQXEVSA-N 1 3 227.396 1.448 20 0 BDADHO CSCCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368316511 386958813 /nfs/dbraw/zinc/95/88/13/386958813.db2.gz LCXKRVCYFQHVCF-LBPRGKRZSA-N 1 3 228.405 1.767 20 0 BDADHO CSCCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368316511 386958821 /nfs/dbraw/zinc/95/88/21/386958821.db2.gz LCXKRVCYFQHVCF-LBPRGKRZSA-N 1 3 228.405 1.767 20 0 BDADHO N[C@H](C(=O)Nc1cccc(C[NH3+])c1)C1CCC1 ZINC000643425980 386997038 /nfs/dbraw/zinc/99/70/38/386997038.db2.gz AUDODRLVNNAEIH-LBPRGKRZSA-N 1 3 233.315 1.211 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000395205985 386998208 /nfs/dbraw/zinc/99/82/08/386998208.db2.gz ONNBQKKKQUOKAJ-DYEKYZERSA-N 1 3 239.407 1.589 20 0 BDADHO Cc1cn[nH]c1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000334820656 386950648 /nfs/dbraw/zinc/95/06/48/386950648.db2.gz MECNUFBBIDXEOP-KOLCDFICSA-N 1 3 222.336 1.135 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCOCC23CC3)CC[NH2+]1 ZINC000334882506 387025645 /nfs/dbraw/zinc/02/56/45/387025645.db2.gz NCAWYJSZACMHER-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000228329652 387080441 /nfs/dbraw/zinc/08/04/41/387080441.db2.gz DTKCZVSFRLTDMA-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000228329652 387080445 /nfs/dbraw/zinc/08/04/45/387080445.db2.gz DTKCZVSFRLTDMA-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO Oc1ccc2c(c1)CN(CC[C@@H]1CC[NH2+]C1)CC2 ZINC000334997958 387091142 /nfs/dbraw/zinc/09/11/42/387091142.db2.gz JRFRHPBOKPZDED-LBPRGKRZSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@@H](C1C[NH2+]C1)N1CCC[C@]2(CCSC2)C1 ZINC000335008170 387102498 /nfs/dbraw/zinc/10/24/98/387102498.db2.gz HMLGOALMZFJLDH-AAEUAGOBSA-N 1 3 240.416 1.813 20 0 BDADHO C[C@@H](C1CNC1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000335008170 387102505 /nfs/dbraw/zinc/10/25/05/387102505.db2.gz HMLGOALMZFJLDH-AAEUAGOBSA-N 1 3 240.416 1.813 20 0 BDADHO C[C@@H](C1CNC1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000335008170 387102509 /nfs/dbraw/zinc/10/25/09/387102509.db2.gz HMLGOALMZFJLDH-AAEUAGOBSA-N 1 3 240.416 1.813 20 0 BDADHO C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNCC2 ZINC000336274691 387106185 /nfs/dbraw/zinc/10/61/85/387106185.db2.gz IVYRZIDHUKOWEZ-VIFPVBQESA-N 1 3 233.315 1.008 20 0 BDADHO C[C@@H](Cc1ccccc1F)NCC1C[NH2+]C1 ZINC000423300991 387131948 /nfs/dbraw/zinc/13/19/48/387131948.db2.gz GMDYDMOEBWOGFZ-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO C[C@@H](Cc1ccccc1F)[NH2+]CC1CNC1 ZINC000423300991 387131951 /nfs/dbraw/zinc/13/19/51/387131951.db2.gz GMDYDMOEBWOGFZ-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO CC[C@@H](C)[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000334981535 387067633 /nfs/dbraw/zinc/06/76/33/387067633.db2.gz RMGLNTYCFYALBV-NEPJUHHUSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H](C)[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000334981535 387067639 /nfs/dbraw/zinc/06/76/39/387067639.db2.gz RMGLNTYCFYALBV-NEPJUHHUSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCC1C[NH2+]C1 ZINC000423305550 387142027 /nfs/dbraw/zinc/14/20/27/387142027.db2.gz RDNHVXJRWKJIRG-GLQYFDAESA-N 1 3 230.355 1.988 20 0 BDADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1CNC1 ZINC000423305550 387142033 /nfs/dbraw/zinc/14/20/33/387142033.db2.gz RDNHVXJRWKJIRG-GLQYFDAESA-N 1 3 230.355 1.988 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423310576 387145596 /nfs/dbraw/zinc/14/55/96/387145596.db2.gz SAOSUZOAAIEFGC-WRWGMCAJSA-N 1 3 226.364 1.374 20 0 BDADHO C[C@H](CN)C[NH2+]C1CCC(C(F)F)CC1 ZINC000423313232 387151456 /nfs/dbraw/zinc/15/14/56/387151456.db2.gz WNQXEBQYILMRBQ-XNWIYYODSA-N 1 3 220.307 1.995 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423320424 387160836 /nfs/dbraw/zinc/16/08/36/387160836.db2.gz GKGVJPKEKJRYKH-GRYCIOLGSA-N 1 3 228.380 1.763 20 0 BDADHO CCN1C[C@H](C)[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000423320053 387162002 /nfs/dbraw/zinc/16/20/02/387162002.db2.gz FAGOLIYDXYXDOG-BFHYXJOUSA-N 1 3 239.407 1.306 20 0 BDADHO [NH3+]C1(CN[C@H]2[C@H]3CCO[C@H]3C23CCC3)CCC1 ZINC000423322808 387163808 /nfs/dbraw/zinc/16/38/08/387163808.db2.gz IRGAAONMTRSFRC-GRYCIOLGSA-N 1 3 236.359 1.415 20 0 BDADHO CO[C@H]1C[C@H](NCCC[NH2+]C(C)C)C12CCC2 ZINC000571789132 387171233 /nfs/dbraw/zinc/17/12/33/387171233.db2.gz MXWVSLSONAFXRM-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccncc1 ZINC000423330921 387175726 /nfs/dbraw/zinc/17/57/26/387175726.db2.gz UJZOBTHFBDITPP-QWHCGFSZSA-N 1 3 219.332 1.860 20 0 BDADHO COc1cc([C@@H](C)[NH2+][C@H](C)CN)ccc1F ZINC000423334714 387179893 /nfs/dbraw/zinc/17/98/93/387179893.db2.gz SLNDTMGTZADDBD-RKDXNWHRSA-N 1 3 226.295 1.832 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000423338121 387186450 /nfs/dbraw/zinc/18/64/50/387186450.db2.gz VRIWAHKEXHUWLG-NEPJUHHUSA-N 1 3 238.375 1.805 20 0 BDADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N(C)C)cc1 ZINC000423356124 387207515 /nfs/dbraw/zinc/20/75/15/387207515.db2.gz QATQACZAYJVLMC-WDEREUQCSA-N 1 3 249.358 1.386 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423359773 387210557 /nfs/dbraw/zinc/21/05/57/387210557.db2.gz PNQPUFPZAPUQDI-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[NH+](C)CCC1CCN(Cc2cnc[nH]2)CC1 ZINC000092381108 387211525 /nfs/dbraw/zinc/21/15/25/387211525.db2.gz IFLSTSJPNXWFFE-UHFFFAOYSA-N 1 3 236.363 1.573 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423361122 387212330 /nfs/dbraw/zinc/21/23/30/387212330.db2.gz LXWDRBGYYOLSAM-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423362089 387212518 /nfs/dbraw/zinc/21/25/18/387212518.db2.gz MSRUHQHVSUMVMI-TUAOUCFPSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000423362090 387213161 /nfs/dbraw/zinc/21/31/61/387213161.db2.gz MSRUHQHVSUMVMI-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)CN1C1CC1 ZINC000423364143 387215171 /nfs/dbraw/zinc/21/51/71/387215171.db2.gz ATVSQSNRDRWKBH-YVECIDJPSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423364705 387215783 /nfs/dbraw/zinc/21/57/83/387215783.db2.gz OXYMJFOMSTUPDF-UPJWGTAASA-N 1 3 237.391 1.343 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1(C)C ZINC000423370963 387222960 /nfs/dbraw/zinc/22/29/60/387222960.db2.gz GEDGWHPSLMONSC-NAWOPXAZSA-N 1 3 240.391 1.905 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)[C@H]1CCOC1 ZINC000423369518 387224357 /nfs/dbraw/zinc/22/43/57/387224357.db2.gz DZBKADVMYKGVKA-RVMXOQNASA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H](C)O1 ZINC000423325905 387230089 /nfs/dbraw/zinc/23/00/89/387230089.db2.gz CETFZBFXHHQHNH-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCNC2)[C@@H](C)O1 ZINC000423325905 387230095 /nfs/dbraw/zinc/23/00/95/387230095.db2.gz CETFZBFXHHQHNH-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1COCC[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423402571 387237453 /nfs/dbraw/zinc/23/74/53/387237453.db2.gz YLQIHSYYYKTHJD-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc3c[nH]nc3c2)C1 ZINC000336410454 387238942 /nfs/dbraw/zinc/23/89/42/387238942.db2.gz DEUODDCTJJCSQY-MFKMUULPSA-N 1 3 244.342 1.732 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@](C)(O)C1 ZINC000230202687 387246824 /nfs/dbraw/zinc/24/68/24/387246824.db2.gz MFJAAVYXFPUNKI-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@](C)(O)C1 ZINC000230202687 387246827 /nfs/dbraw/zinc/24/68/27/387246827.db2.gz MFJAAVYXFPUNKI-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CC(C)(C)[C@@H]1CC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423420750 387250052 /nfs/dbraw/zinc/25/00/52/387250052.db2.gz BHYFQLPRHWOXGL-LVEVGFFFSA-N 1 3 208.349 1.619 20 0 BDADHO CC(C)OCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571921500 387197528 /nfs/dbraw/zinc/19/75/28/387197528.db2.gz WJVLWBQZVLBNTK-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000571921500 387197535 /nfs/dbraw/zinc/19/75/35/387197535.db2.gz WJVLWBQZVLBNTK-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000571921500 387197540 /nfs/dbraw/zinc/19/75/40/387197540.db2.gz WJVLWBQZVLBNTK-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CNCCC2(F)F)CC[N@@H+]1C ZINC000423467219 387315284 /nfs/dbraw/zinc/31/52/84/387315284.db2.gz DIGOQQMMMBLXTR-GMTAPVOTSA-N 1 3 247.333 1.056 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CNCCC2(F)F)CC[N@H+]1C ZINC000423467219 387315286 /nfs/dbraw/zinc/31/52/86/387315286.db2.gz DIGOQQMMMBLXTR-GMTAPVOTSA-N 1 3 247.333 1.056 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1CCOCC1CC1 ZINC000352494770 387262891 /nfs/dbraw/zinc/26/28/91/387262891.db2.gz FOUJJUBAVYMRFI-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)O1 ZINC000423382199 387266311 /nfs/dbraw/zinc/26/63/11/387266311.db2.gz ODAITCZMSRPHLS-RMPHRYRLSA-N 1 3 212.337 1.282 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)[C@H](C)O1 ZINC000423382199 387266314 /nfs/dbraw/zinc/26/63/14/387266314.db2.gz ODAITCZMSRPHLS-RMPHRYRLSA-N 1 3 212.337 1.282 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C12CCC2 ZINC000423385805 387268415 /nfs/dbraw/zinc/26/84/15/387268415.db2.gz RBJMNDYRAIMFSC-QNWHQSFQSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C12CCC2 ZINC000423385805 387268420 /nfs/dbraw/zinc/26/84/20/387268420.db2.gz RBJMNDYRAIMFSC-QNWHQSFQSA-N 1 3 238.375 1.674 20 0 BDADHO CNCCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643498516 387277802 /nfs/dbraw/zinc/27/78/02/387277802.db2.gz OOFWDNXELQFKDK-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO C1CC1[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000423430992 387281956 /nfs/dbraw/zinc/28/19/56/387281956.db2.gz NAXYKJHOZFAWEH-RFQIPJPRSA-N 1 3 220.360 1.763 20 0 BDADHO CCNCCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643499209 387286046 /nfs/dbraw/zinc/28/60/46/387286046.db2.gz INPOATKGRRDMDO-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO CC[NH2+]CCCN[C@H]1CCC[C@@H](OC)C1 ZINC000643499209 387286051 /nfs/dbraw/zinc/28/60/51/387286051.db2.gz INPOATKGRRDMDO-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO CC(C)(C)[C@H]1CC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444959 387295933 /nfs/dbraw/zinc/29/59/33/387295933.db2.gz BHYFQLPRHWOXGL-RNWYCLNJSA-N 1 3 208.349 1.619 20 0 BDADHO CC[C@H](N[C@@H](C)[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423448582 387297439 /nfs/dbraw/zinc/29/74/39/387297439.db2.gz QOMNURWSOALHDO-VWYCJHECSA-N 1 3 242.363 1.434 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1NCCc2ccccc21 ZINC000423447543 387297649 /nfs/dbraw/zinc/29/76/49/387297649.db2.gz ZVCULGLTHOOHBB-HUBLWGQQSA-N 1 3 247.386 1.589 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000423480466 387298070 /nfs/dbraw/zinc/29/80/70/387298070.db2.gz NHYPKXFKSOWPIP-GARJFASQSA-N 1 3 247.333 1.091 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccs2)C1 ZINC000160571785 387304206 /nfs/dbraw/zinc/30/42/06/387304206.db2.gz UIPRNJNAECUJFO-NXEZZACHSA-N 1 3 210.346 1.917 20 0 BDADHO COCCC[C@@H](C)[NH2+]CCCNC1CC1 ZINC000423532829 387358831 /nfs/dbraw/zinc/35/88/31/387358831.db2.gz VYSZFDBPZDPJBD-LLVKDONJSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000423545903 387370087 /nfs/dbraw/zinc/37/00/87/387370087.db2.gz FBDJXRCPCQDNRX-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NC[C@@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453702 387371782 /nfs/dbraw/zinc/37/17/82/387371782.db2.gz UEHLVSOJXBCBKL-JQWIXIFHSA-N 1 3 216.328 1.524 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)C1CNC1 ZINC000643453702 387371785 /nfs/dbraw/zinc/37/17/85/387371785.db2.gz UEHLVSOJXBCBKL-JQWIXIFHSA-N 1 3 216.328 1.524 20 0 BDADHO C[C@H](NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473764 387319508 /nfs/dbraw/zinc/31/95/08/387319508.db2.gz OAVJSHDKHWTTNV-SDDRHHMPSA-N 1 3 236.363 1.588 20 0 BDADHO c1cn(C2CCN(C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000336495831 387321311 /nfs/dbraw/zinc/32/13/11/387321311.db2.gz DDRCJMGVYWGWBO-ZDUSSCGKSA-N 1 3 248.374 1.520 20 0 BDADHO c1cn(C2CC[NH+](C[C@H]3CCCNC3)CC2)cn1 ZINC000336495831 387321316 /nfs/dbraw/zinc/32/13/16/387321316.db2.gz DDRCJMGVYWGWBO-ZDUSSCGKSA-N 1 3 248.374 1.520 20 0 BDADHO CCC1CC([NH2+]C[C@@H]2CNCCCO2)C1 ZINC000423485223 387331548 /nfs/dbraw/zinc/33/15/48/387331548.db2.gz AVAFAIWIQPVQBV-MCIGGMRASA-N 1 3 212.337 1.143 20 0 BDADHO CCC1CC(NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000423485223 387331552 /nfs/dbraw/zinc/33/15/52/387331552.db2.gz AVAFAIWIQPVQBV-MCIGGMRASA-N 1 3 212.337 1.143 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@H](C)C[C@H](C)[NH3+] ZINC000423508861 387346071 /nfs/dbraw/zinc/34/60/71/387346071.db2.gz QZGZGFRCLKZPFY-YWPYICTPSA-N 1 3 249.402 1.964 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352699400 387442636 /nfs/dbraw/zinc/44/26/36/387442636.db2.gz QRINWZYJSIESRI-AGIUHOORSA-N 1 3 226.364 1.316 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@@H]1O ZINC000352699400 387442638 /nfs/dbraw/zinc/44/26/38/387442638.db2.gz QRINWZYJSIESRI-AGIUHOORSA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000643466294 387386466 /nfs/dbraw/zinc/38/64/66/387386466.db2.gz XBCYPFRVOFWJAS-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCC1(CO)CCCCC1 ZINC000643466294 387386469 /nfs/dbraw/zinc/38/64/69/387386469.db2.gz XBCYPFRVOFWJAS-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO C[NH2+][C@H](C)CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423626907 387388774 /nfs/dbraw/zinc/38/87/74/387388774.db2.gz HONLVGUDLPMVHM-ZYHUDNBSSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)N(CC)CC ZINC000423655027 387392211 /nfs/dbraw/zinc/39/22/11/387392211.db2.gz UPXBHZLMYCQKFE-IJLUTSLNSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423675830 387396172 /nfs/dbraw/zinc/39/61/72/387396172.db2.gz ICXBICJTJYKKHD-RYUDHWBXSA-N 1 3 241.379 1.138 20 0 BDADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C1(N)CCC1 ZINC000423777090 387421583 /nfs/dbraw/zinc/42/15/83/387421583.db2.gz RDDDVBQRJWQPBH-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(N)CCC1 ZINC000423777090 387421587 /nfs/dbraw/zinc/42/15/87/387421587.db2.gz RDDDVBQRJWQPBH-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000643475481 387508490 /nfs/dbraw/zinc/50/84/90/387508490.db2.gz YDIFFDUMNJPNOT-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000643475314 387508528 /nfs/dbraw/zinc/50/85/28/387508528.db2.gz FPIPXKSMTGBPLQ-YVECIDJPSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@@H](N)C2)C[C@@H](C)O1 ZINC000572463989 387515387 /nfs/dbraw/zinc/51/53/87/387515387.db2.gz MTLQLNRMAVHJNA-DDHJBXDOSA-N 1 3 226.364 1.802 20 0 BDADHO CC[NH+]1CCC(CN[C@@H](C)c2ccncn2)CC1 ZINC000396062019 387532528 /nfs/dbraw/zinc/53/25/28/387532528.db2.gz XWWXDFIEXDAYIF-LBPRGKRZSA-N 1 3 248.374 1.859 20 0 BDADHO CC[C@@H](C(=O)N(C)CCC[NH2+]C)N(CC)CC ZINC000424018773 387465601 /nfs/dbraw/zinc/46/56/01/387465601.db2.gz JWOJRNDWTNAPMB-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCN1 ZINC000643471006 387477285 /nfs/dbraw/zinc/47/72/85/387477285.db2.gz JCMPIHOPPVFZLQ-RVMXOQNASA-N 1 3 226.364 1.268 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471001 387477515 /nfs/dbraw/zinc/47/75/15/387477515.db2.gz GXMKXSXESSLCGA-WUHRBBMRSA-N 1 3 226.364 1.255 20 0 BDADHO C(C[NH2+]C1CC1)N[C@H]1CC[C@H]1C1CCC1 ZINC000643508018 387481816 /nfs/dbraw/zinc/48/18/16/387481816.db2.gz ZUERLTDYGWSPBI-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO CCC1(O)CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000643474163 387488864 /nfs/dbraw/zinc/48/88/64/387488864.db2.gz LGMZRBFJWQJLLW-OKZRHMCRSA-N 1 3 228.380 1.786 20 0 BDADHO C[C@H](c1ccccc1)[C@@H](CO)N[C@@H](C)C1C[NH2+]C1 ZINC000643474455 387491600 /nfs/dbraw/zinc/49/16/00/387491600.db2.gz PLFDAOFLLPBVCR-TYNCELHUSA-N 1 3 248.370 1.349 20 0 BDADHO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)C1CNC1 ZINC000643474455 387491604 /nfs/dbraw/zinc/49/16/04/387491604.db2.gz PLFDAOFLLPBVCR-TYNCELHUSA-N 1 3 248.370 1.349 20 0 BDADHO CN(CCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367217216 387595543 /nfs/dbraw/zinc/59/55/43/387595543.db2.gz KJHPBICNOMPOBB-PBWFPOADSA-N 1 3 248.374 1.440 20 0 BDADHO CN(CCn1ccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367217216 387595547 /nfs/dbraw/zinc/59/55/47/387595547.db2.gz KJHPBICNOMPOBB-PBWFPOADSA-N 1 3 248.374 1.440 20 0 BDADHO C1CC2(C1)NCC[C@@H]2[NH2+]C1CCOCC1 ZINC000527532278 387597712 /nfs/dbraw/zinc/59/77/12/387597712.db2.gz LKJCETZISIPUJS-NSHDSACASA-N 1 3 210.321 1.040 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@H]1CCCOC1 ZINC000527532324 387599247 /nfs/dbraw/zinc/59/92/47/387599247.db2.gz MZTJGXATYXJTDM-NEPJUHHUSA-N 1 3 224.348 1.287 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCCn2ccnc2)C1 ZINC000124471847 387619222 /nfs/dbraw/zinc/61/92/22/387619222.db2.gz UVZHBBMFDCODLH-ZDUSSCGKSA-N 1 3 236.363 1.157 20 0 BDADHO Cn1cc(CCN[C@H]2CCCCC[C@@H]2[NH3+])cn1 ZINC000422708689 387622442 /nfs/dbraw/zinc/62/24/42/387622442.db2.gz CFWFEBROOFPOKK-STQMWFEESA-N 1 3 236.363 1.212 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCNC12CCC2 ZINC000527532825 387622552 /nfs/dbraw/zinc/62/25/52/387622552.db2.gz OZCWZJTUMCEOAS-WOPDTQHZSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC23CCC3)CCO1 ZINC000527533828 387624349 /nfs/dbraw/zinc/62/43/49/387624349.db2.gz VYQBRXLQBRAFMR-WOPDTQHZSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000430537814 387624820 /nfs/dbraw/zinc/62/48/20/387624820.db2.gz HXSOEDTZCCEANX-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422716140 387627528 /nfs/dbraw/zinc/62/75/28/387627528.db2.gz UCDUCNDOZORFLL-KWCYVHTRSA-N 1 3 242.407 1.761 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422716140 387627533 /nfs/dbraw/zinc/62/75/33/387627533.db2.gz UCDUCNDOZORFLL-KWCYVHTRSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCCC[C@H]1N)N(C)C ZINC000422738127 387645577 /nfs/dbraw/zinc/64/55/77/387645577.db2.gz JFKKLBQDBMCVRH-UTUOFQBUSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)c1cnccc1N)N(C)C ZINC000422745672 387648392 /nfs/dbraw/zinc/64/83/92/387648392.db2.gz VLKFOADZNOEVLE-UWVGGRQHSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@@H](CN[C@@H](C)c1cnccc1N)[NH+](C)C ZINC000422745672 387648395 /nfs/dbraw/zinc/64/83/95/387648395.db2.gz VLKFOADZNOEVLE-UWVGGRQHSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccccc1 ZINC000422740589 387648943 /nfs/dbraw/zinc/64/89/43/387648943.db2.gz CBNMVLLNFLRMAR-AEGPPILISA-N 1 3 248.370 1.571 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccccc1 ZINC000422740589 387648947 /nfs/dbraw/zinc/64/89/47/387648947.db2.gz CBNMVLLNFLRMAR-AEGPPILISA-N 1 3 248.370 1.571 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCCO1 ZINC000422748976 387652716 /nfs/dbraw/zinc/65/27/16/387652716.db2.gz WXQAPKIGNZUZBM-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CCCO1 ZINC000422748976 387652719 /nfs/dbraw/zinc/65/27/19/387652719.db2.gz WXQAPKIGNZUZBM-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccccc1 ZINC000422748164 387652937 /nfs/dbraw/zinc/65/29/37/387652937.db2.gz SHCUHOUMYXMPQV-YUTCNCBUSA-N 1 3 234.343 1.529 20 0 BDADHO CCN(CC)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422749166 387653164 /nfs/dbraw/zinc/65/31/64/387653164.db2.gz XVQLAJUOQMCNEJ-QWHCGFSZSA-N 1 3 227.396 1.306 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccccc1 ZINC000422750165 387655304 /nfs/dbraw/zinc/65/53/04/387655304.db2.gz CHYNOLWQAVYKMQ-NWDGAFQWSA-N 1 3 222.332 1.781 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccccc1 ZINC000422750163 387655353 /nfs/dbraw/zinc/65/53/53/387655353.db2.gz CHYNOLWQAVYKMQ-NEPJUHHUSA-N 1 3 222.332 1.781 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422750337 387655718 /nfs/dbraw/zinc/65/57/18/387655718.db2.gz CTWLYAKQRNDCEE-MCIONIFRSA-N 1 3 239.407 1.720 20 0 BDADHO CSCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422749785 387656761 /nfs/dbraw/zinc/65/67/61/387656761.db2.gz AXHGXFSAOVTZDJ-QWRGUYRKSA-N 1 3 216.394 1.717 20 0 BDADHO CN(C)C1(C[NH2+][C@H]2CCC[C@@H]2N)CCCCC1 ZINC000422754434 387658212 /nfs/dbraw/zinc/65/82/12/387658212.db2.gz JPBQLAYVDAAEJM-STQMWFEESA-N 1 3 239.407 1.720 20 0 BDADHO Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000422753268 387658630 /nfs/dbraw/zinc/65/86/30/387658630.db2.gz FYHSSXNBZVJJET-NWANDNLSSA-N 1 3 248.370 1.837 20 0 BDADHO CC[N@H+](CCNC(=O)C1(N)CCCC1)C(C)C ZINC000430900543 387658834 /nfs/dbraw/zinc/65/88/34/387658834.db2.gz QDENPOCGWVQUQY-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC[N@@H+](CCNC(=O)C1(N)CCCC1)C(C)C ZINC000430900543 387658836 /nfs/dbraw/zinc/65/88/36/387658836.db2.gz QDENPOCGWVQUQY-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ccccc1F ZINC000422757843 387660706 /nfs/dbraw/zinc/66/07/06/387660706.db2.gz NAYJHMGBSYNUMY-MNOVXSKESA-N 1 3 240.322 1.920 20 0 BDADHO C[C@H](NC[C@H](CO)Cc1ccccc1)C1C[NH2+]C1 ZINC000422759711 387660953 /nfs/dbraw/zinc/66/09/53/387660953.db2.gz LFHFYRDYKNECRZ-GXTWGEPZSA-N 1 3 248.370 1.035 20 0 BDADHO C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)C1CNC1 ZINC000422759711 387660954 /nfs/dbraw/zinc/66/09/54/387660954.db2.gz LFHFYRDYKNECRZ-GXTWGEPZSA-N 1 3 248.370 1.035 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)CC(C)(C)C ZINC000422757658 387661743 /nfs/dbraw/zinc/66/17/43/387661743.db2.gz ISIUTWDVDAVSSD-AXFHLTTASA-N 1 3 216.369 1.499 20 0 BDADHO Cc1cnc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000430930001 387663233 /nfs/dbraw/zinc/66/32/33/387663233.db2.gz ZBBZFKHAWXPICF-UHFFFAOYSA-N 1 3 246.358 1.361 20 0 BDADHO CSC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422761649 387663871 /nfs/dbraw/zinc/66/38/71/387663871.db2.gz RJBWHZXJRHAWSI-NFLHVTIKSA-N 1 3 214.378 1.611 20 0 BDADHO Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422764855 387666441 /nfs/dbraw/zinc/66/64/41/387666441.db2.gz OPYGIDLVZYROAJ-VHDGCEQUSA-N 1 3 248.370 1.837 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOC1CCCC1 ZINC000422766512 387668310 /nfs/dbraw/zinc/66/83/10/387668310.db2.gz QEMYJKZVBHXPLE-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCCC1 ZINC000422767779 387668614 /nfs/dbraw/zinc/66/86/14/387668614.db2.gz ROCLQIZQQOQHLI-OLZOCXBDSA-N 1 3 225.380 1.060 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCn1cnc2ccccc21 ZINC000422772153 387670208 /nfs/dbraw/zinc/67/02/08/387670208.db2.gz YXGCTWPWRGRIDU-NEPJUHHUSA-N 1 3 246.358 1.752 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCNCC2)C12CCC2 ZINC000422779438 387678503 /nfs/dbraw/zinc/67/85/03/387678503.db2.gz ISXZPFKVGDOLKA-CHWSQXEVSA-N 1 3 238.375 1.676 20 0 BDADHO CCO[C@@H]1C[C@@H](NC2CC[NH2+]CC2)C12CCC2 ZINC000422779438 387678508 /nfs/dbraw/zinc/67/85/08/387678508.db2.gz ISXZPFKVGDOLKA-CHWSQXEVSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCOCC1CC1 ZINC000422782235 387680137 /nfs/dbraw/zinc/68/01/37/387680137.db2.gz JPLHJQIFPTWLDH-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000044517172 387686398 /nfs/dbraw/zinc/68/63/98/387686398.db2.gz AMMXFQNLPSNGTG-LLVKDONJSA-N 1 3 236.363 1.413 20 0 BDADHO C[C@@H](N[C@@H](C)Cc1ccccc1F)C1C[NH2+]C1 ZINC000422744474 387690441 /nfs/dbraw/zinc/69/04/41/387690441.db2.gz WDCKTYUMNSXSRG-WDEREUQCSA-N 1 3 236.334 1.954 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C1CNC1 ZINC000422744474 387690447 /nfs/dbraw/zinc/69/04/47/387690447.db2.gz WDCKTYUMNSXSRG-WDEREUQCSA-N 1 3 236.334 1.954 20 0 BDADHO CCOC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044690633 387691716 /nfs/dbraw/zinc/69/17/16/387691716.db2.gz INOFYHHNEKSBIL-ODWCKFRGSA-N 1 3 226.364 1.626 20 0 BDADHO CCOC[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044690633 387691719 /nfs/dbraw/zinc/69/17/19/387691719.db2.gz INOFYHHNEKSBIL-ODWCKFRGSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@@H]1CCC[C@H](N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000643525334 387743544 /nfs/dbraw/zinc/74/35/44/387743544.db2.gz XCNIBFKJNFUTQM-WUHRBBMRSA-N 1 3 226.364 1.674 20 0 BDADHO CC[NH+](CC)CCCN1CC[C@H](CCCO)C1 ZINC000452116640 387744912 /nfs/dbraw/zinc/74/49/12/387744912.db2.gz HAFLWLVAAPJNBT-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452116640 387744922 /nfs/dbraw/zinc/74/49/22/387744922.db2.gz HAFLWLVAAPJNBT-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](CCCO)C1 ZINC000452116640 387744928 /nfs/dbraw/zinc/74/49/28/387744928.db2.gz HAFLWLVAAPJNBT-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO C[C@H](NCCN1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422871386 387749642 /nfs/dbraw/zinc/74/96/42/387749642.db2.gz ZYKKWJFGZYPKMM-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CCCCN1CC[NH2+][C@H]1CCC[C@@H]1N ZINC000422868787 387750112 /nfs/dbraw/zinc/75/01/12/387750112.db2.gz WBBITIHZVSEVGH-AGIUHOORSA-N 1 3 225.380 1.330 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422868172 387750587 /nfs/dbraw/zinc/75/05/87/387750587.db2.gz UNGZQNWPYMNSAN-XQQFMLRXSA-N 1 3 228.380 1.373 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCS1 ZINC000422872842 387753498 /nfs/dbraw/zinc/75/34/98/387753498.db2.gz IVIJVLUYEPEJNU-AEJSXWLSSA-N 1 3 200.351 1.351 20 0 BDADHO CC(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422806257 387706127 /nfs/dbraw/zinc/70/61/27/387706127.db2.gz NESQBVUSSQOWSI-JHJVBQTASA-N 1 3 228.380 1.765 20 0 BDADHO CCN(CC)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356739171 387712045 /nfs/dbraw/zinc/71/20/45/387712045.db2.gz JMCGQOIQMWFUKV-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CCN(CC)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356739171 387712049 /nfs/dbraw/zinc/71/20/49/387712049.db2.gz JMCGQOIQMWFUKV-GFCCVEGCSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816307 387715712 /nfs/dbraw/zinc/71/57/12/387715712.db2.gz ZLQZQZPMFRMQSN-BNOWGMLFSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCOCC1 ZINC000422816307 387715718 /nfs/dbraw/zinc/71/57/18/387715718.db2.gz ZLQZQZPMFRMQSN-BNOWGMLFSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCCSC1 ZINC000422821191 387717534 /nfs/dbraw/zinc/71/75/34/387717534.db2.gz UXJSWDFBCJHCGZ-IVZWLZJFSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000367513877 387718556 /nfs/dbraw/zinc/71/85/56/387718556.db2.gz OUFPHNUJIJWSLG-UWVGGRQHSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCCC[C@@H]1O ZINC000422824349 387720545 /nfs/dbraw/zinc/72/05/45/387720545.db2.gz NPIOWDSUJSOMAF-YIYPIFLZSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@H](C)C1C[NH2+]C1 ZINC000422829710 387722190 /nfs/dbraw/zinc/72/21/90/387722190.db2.gz HSHTVWODOPKVJY-VXGBXAGGSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nccs1 ZINC000422839819 387729037 /nfs/dbraw/zinc/72/90/37/387729037.db2.gz RMFKMTXRUZIBNA-MNOVXSKESA-N 1 3 239.388 1.663 20 0 BDADHO c1cnn(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000128007670 387732178 /nfs/dbraw/zinc/73/21/78/387732178.db2.gz GDALCKUHQHPTJD-QWHCGFSZSA-N 1 3 234.347 1.100 20 0 BDADHO c1cnn(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000128007670 387732181 /nfs/dbraw/zinc/73/21/81/387732181.db2.gz GDALCKUHQHPTJD-QWHCGFSZSA-N 1 3 234.347 1.100 20 0 BDADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCn1cccn1)C2 ZINC000367606283 387734293 /nfs/dbraw/zinc/73/42/93/387734293.db2.gz VYIHFUQERQJGFT-PBWFPOADSA-N 1 3 248.374 1.440 20 0 BDADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCn1cccn1)C2 ZINC000367606283 387734295 /nfs/dbraw/zinc/73/42/95/387734295.db2.gz VYIHFUQERQJGFT-PBWFPOADSA-N 1 3 248.374 1.440 20 0 BDADHO Cn1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000128074895 387735837 /nfs/dbraw/zinc/73/58/37/387735837.db2.gz ZMGNWTREFRXLQG-ZIAGYGMSSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000128074895 387735841 /nfs/dbraw/zinc/73/58/41/387735841.db2.gz ZMGNWTREFRXLQG-ZIAGYGMSSA-N 1 3 248.374 1.179 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCCC[C@H]1C ZINC000422852725 387737334 /nfs/dbraw/zinc/73/73/34/387737334.db2.gz BCBDZBZELMODKG-SYQHCUMBSA-N 1 3 239.407 1.719 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)C1 ZINC000643524445 387737539 /nfs/dbraw/zinc/73/75/39/387737539.db2.gz FSQJFAUZUMRQPA-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1 ZINC000643524446 387738029 /nfs/dbraw/zinc/73/80/29/387738029.db2.gz FSQJFAUZUMRQPA-XQHKEYJVSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858606 387741506 /nfs/dbraw/zinc/74/15/06/387741506.db2.gz GPZVDXRVTLXRIV-BEUHCMRWSA-N 1 3 249.402 1.484 20 0 BDADHO CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000422895052 387766475 /nfs/dbraw/zinc/76/64/75/387766475.db2.gz VDALUNRNKOBUKT-NSHDSACASA-N 1 3 243.395 1.160 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CCc2c1cccc2F ZINC000643528252 387768449 /nfs/dbraw/zinc/76/84/49/387768449.db2.gz GBPUKWBLYYDYPC-UFBFGSQYSA-N 1 3 208.280 1.750 20 0 BDADHO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)N)CC2 ZINC000643528419 387769604 /nfs/dbraw/zinc/76/96/04/387769604.db2.gz IZUMROXADHZHLH-ZANVPECISA-N 1 3 220.316 1.619 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000643528923 387772795 /nfs/dbraw/zinc/77/27/95/387772795.db2.gz QVJVRDCYEFOLPG-VNHYZAJKSA-N 1 3 247.386 1.444 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000643528923 387772798 /nfs/dbraw/zinc/77/27/98/387772798.db2.gz QVJVRDCYEFOLPG-VNHYZAJKSA-N 1 3 247.386 1.444 20 0 BDADHO Cc1cccc(NCCN[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000422923079 387778269 /nfs/dbraw/zinc/77/82/69/387778269.db2.gz VCTQIACFEKLIQI-STQMWFEESA-N 1 3 248.374 1.519 20 0 BDADHO Cc1cccc(NCC[NH2+][C@H]2CCC[C@H]2CN)n1 ZINC000422923079 387778271 /nfs/dbraw/zinc/77/82/71/387778271.db2.gz VCTQIACFEKLIQI-STQMWFEESA-N 1 3 248.374 1.519 20 0 BDADHO CCC1(CC)[C@H]([NH2+]C2CCNCC2)C[C@@H]1OC ZINC000422934878 387782430 /nfs/dbraw/zinc/78/24/30/387782430.db2.gz GOQKXDNMOALMKY-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO CCC1(CC)[C@H](NC2CC[NH2+]CC2)C[C@@H]1OC ZINC000422934878 387782437 /nfs/dbraw/zinc/78/24/37/387782437.db2.gz GOQKXDNMOALMKY-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccc(F)cc1 ZINC000422945031 387784911 /nfs/dbraw/zinc/78/49/11/387784911.db2.gz SZECKZUJAIQBSM-WDEREUQCSA-N 1 3 240.322 1.920 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947867 387785096 /nfs/dbraw/zinc/78/50/96/387785096.db2.gz QPPXJGAOHFOMIN-OLZOCXBDSA-N 1 3 238.306 1.674 20 0 BDADHO CCC[C@@](C)(O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422979930 387791111 /nfs/dbraw/zinc/79/11/11/387791111.db2.gz NWODOTDTLBAIEK-ZGVCCVRISA-N 1 3 226.364 1.410 20 0 BDADHO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422982243 387793076 /nfs/dbraw/zinc/79/30/76/387793076.db2.gz WHXOGHJOLULUJC-RDBSUJKOSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(O)CCC1 ZINC000422982744 387793370 /nfs/dbraw/zinc/79/33/70/387793370.db2.gz XUAAHEKXQDVHQP-TZMCWYRMSA-N 1 3 248.370 1.450 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985313 387795198 /nfs/dbraw/zinc/79/51/98/387795198.db2.gz DBTFGLGSXWIEMK-IUODEOHRSA-N 1 3 248.370 1.912 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000422950581 387806521 /nfs/dbraw/zinc/80/65/21/387806521.db2.gz YKDGVDDMLHQQIU-WHOHXGKFSA-N 1 3 212.337 1.142 20 0 BDADHO Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422949133 387807683 /nfs/dbraw/zinc/80/76/83/387807683.db2.gz SXEAOARCCSPUHE-QWHCGFSZSA-N 1 3 234.343 1.843 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNc1ccccn1 ZINC000423001945 387808167 /nfs/dbraw/zinc/80/81/67/387808167.db2.gz FJARAAIDSJSRCF-OLZOCXBDSA-N 1 3 248.374 1.601 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423001945 387808173 /nfs/dbraw/zinc/80/81/73/387808173.db2.gz FJARAAIDSJSRCF-OLZOCXBDSA-N 1 3 248.374 1.601 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442603002 387808630 /nfs/dbraw/zinc/80/86/30/387808630.db2.gz JOYDQIZOSOJPLL-NEPJUHHUSA-N 1 3 241.379 1.091 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955121 387809229 /nfs/dbraw/zinc/80/92/29/387809229.db2.gz IRIVEFQYRXZPOH-HTVCTNPSSA-N 1 3 240.391 1.907 20 0 BDADHO COc1cccc2c1CC[C@H](NC[C@@H](C)[NH3+])C2 ZINC000643526555 387757560 /nfs/dbraw/zinc/75/75/60/387757560.db2.gz AYOMXTJCIXXEQU-PWSUYJOCSA-N 1 3 234.343 1.489 20 0 BDADHO COc1cccc2c1CC[C@@H](NC[C@@H](C)[NH3+])C2 ZINC000643526556 387757896 /nfs/dbraw/zinc/75/78/96/387757896.db2.gz AYOMXTJCIXXEQU-ZYHUDNBSSA-N 1 3 234.343 1.489 20 0 BDADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643527007 387760504 /nfs/dbraw/zinc/76/05/04/387760504.db2.gz JSCSWZLSKHABCR-NXEZZACHSA-N 1 3 235.331 1.643 20 0 BDADHO C[C@H](NC[C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885826 387760911 /nfs/dbraw/zinc/76/09/11/387760911.db2.gz HGVHOOJLPGINFJ-NWDGAFQWSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CNC1 ZINC000422885826 387760914 /nfs/dbraw/zinc/76/09/14/387760914.db2.gz HGVHOOJLPGINFJ-NWDGAFQWSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]2OCC[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000422887636 387761368 /nfs/dbraw/zinc/76/13/68/387761368.db2.gz LDBZJGHUGZUBTD-RYMFRWLXSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)[C@H]1CCCN1 ZINC000422887636 387761370 /nfs/dbraw/zinc/76/13/70/387761370.db2.gz LDBZJGHUGZUBTD-RYMFRWLXSA-N 1 3 238.375 1.674 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422972179 387821286 /nfs/dbraw/zinc/82/12/86/387821286.db2.gz KSIGBEMINSCQBX-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CCCC(O)(CCC)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422975006 387822837 /nfs/dbraw/zinc/82/28/37/387822837.db2.gz GCCUQIVGAIJADV-VXGBXAGGSA-N 1 3 228.380 1.787 20 0 BDADHO c1ccc([C@@H]2C[C@H](N[C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003223 387825644 /nfs/dbraw/zinc/82/56/44/387825644.db2.gz LCIOSKFRADALRD-KFWWJZLASA-N 1 3 246.354 1.858 20 0 BDADHO CC[C@@H](N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423006907 387828178 /nfs/dbraw/zinc/82/81/78/387828178.db2.gz PKZGIRJODPOWMZ-SYQHCUMBSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCCN1 ZINC000423006907 387828181 /nfs/dbraw/zinc/82/81/81/387828181.db2.gz PKZGIRJODPOWMZ-SYQHCUMBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H](N[C@H]1CC[C@H](CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000423005222 387829496 /nfs/dbraw/zinc/82/94/96/387829496.db2.gz LXYUMJQNINQUKO-AAVRWANBSA-N 1 3 240.391 1.658 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccncc1 ZINC000423007154 387830036 /nfs/dbraw/zinc/83/00/36/387830036.db2.gz QAENYUXSQPBXEA-KGLIPLIRSA-N 1 3 233.359 1.874 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423073903 387873272 /nfs/dbraw/zinc/87/32/72/387873272.db2.gz SONWTBNHXVBDJS-KXNHARMFSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)CSCCN[C@@H](C)C1C[NH2+]C1 ZINC000423010053 387833509 /nfs/dbraw/zinc/83/35/09/387833509.db2.gz FRQZYVHOYCZTGK-JTQLQIEISA-N 1 3 216.394 1.573 20 0 BDADHO CC(C)CSCC[NH2+][C@@H](C)C1CNC1 ZINC000423010053 387833511 /nfs/dbraw/zinc/83/35/11/387833511.db2.gz FRQZYVHOYCZTGK-JTQLQIEISA-N 1 3 216.394 1.573 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNc1ccccn1 ZINC000423009635 387833746 /nfs/dbraw/zinc/83/37/46/387833746.db2.gz WBYIAJVCMMKAHR-RYUDHWBXSA-N 1 3 234.347 1.211 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423009635 387833750 /nfs/dbraw/zinc/83/37/50/387833750.db2.gz WBYIAJVCMMKAHR-RYUDHWBXSA-N 1 3 234.347 1.211 20 0 BDADHO C[C@H](CCC[NH3+])NCc1cccc(N(C)C)n1 ZINC000423011295 387833795 /nfs/dbraw/zinc/83/37/95/387833795.db2.gz IORWHDCABAOKJI-LLVKDONJSA-N 1 3 236.363 1.365 20 0 BDADHO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC000643479110 387834464 /nfs/dbraw/zinc/83/44/64/387834464.db2.gz RAILPWMEATYOJL-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)[C@H]1CCCCO1 ZINC000643479110 387834469 /nfs/dbraw/zinc/83/44/69/387834469.db2.gz RAILPWMEATYOJL-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1CCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013152 387836274 /nfs/dbraw/zinc/83/62/74/387836274.db2.gz FFENVEBAYRSRKQ-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1CCC[C@H]1CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423013150 387836470 /nfs/dbraw/zinc/83/64/70/387836470.db2.gz FFENVEBAYRSRKQ-XJFOESAGSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423018724 387841741 /nfs/dbraw/zinc/84/17/41/387841741.db2.gz RZLZJCGRXWLNDJ-AAVRWANBSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](CCC[NH3+])NCc1ccc(Cl)cn1 ZINC000423018958 387842113 /nfs/dbraw/zinc/84/21/13/387842113.db2.gz SPYNZMFCQBGISQ-SECBINFHSA-N 1 3 227.739 1.952 20 0 BDADHO CCOC[C@H](N[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000423074062 387873754 /nfs/dbraw/zinc/87/37/54/387873754.db2.gz TVGSSFQMPUAVRL-JQWIXIFHSA-N 1 3 214.353 1.245 20 0 BDADHO CCOC[C@H]([NH2+][C@@H](C)C1CNC1)C(C)C ZINC000423074062 387873760 /nfs/dbraw/zinc/87/37/60/387873760.db2.gz TVGSSFQMPUAVRL-JQWIXIFHSA-N 1 3 214.353 1.245 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCCS1 ZINC000423028579 387845197 /nfs/dbraw/zinc/84/51/97/387845197.db2.gz GUDBKGBICJHFHC-AXFHLTTASA-N 1 3 214.378 1.742 20 0 BDADHO CS[C@H](C[NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000423033664 387848545 /nfs/dbraw/zinc/84/85/45/387848545.db2.gz OVXVIXLUUAXSBF-GXSJLCMTSA-N 1 3 230.421 1.962 20 0 BDADHO CS[C@H](CN[C@@H](C)C1C[NH2+]C1)C(C)(C)C ZINC000423033664 387848550 /nfs/dbraw/zinc/84/85/50/387848550.db2.gz OVXVIXLUUAXSBF-GXSJLCMTSA-N 1 3 230.421 1.962 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CCCC(C)(C)C1 ZINC000423073289 387873995 /nfs/dbraw/zinc/87/39/95/387873995.db2.gz ILRJBRDONHMLGS-OLZOCXBDSA-N 1 3 241.423 1.824 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423036464 387850675 /nfs/dbraw/zinc/85/06/75/387850675.db2.gz UBNAFXKIAGYCOT-NOOOWODRSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@H](NC[C@H](O)CCc1ccccc1)C1C[NH2+]C1 ZINC000423038388 387853372 /nfs/dbraw/zinc/85/33/72/387853372.db2.gz YPMYQUNTEZFXKD-SWLSCSKDSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C1CNC1 ZINC000423038388 387853379 /nfs/dbraw/zinc/85/33/79/387853379.db2.gz YPMYQUNTEZFXKD-SWLSCSKDSA-N 1 3 248.370 1.178 20 0 BDADHO C[C@@H](CN1CCCCCC1)N[C@@H]1CC[NH2+]C1 ZINC000423045094 387855126 /nfs/dbraw/zinc/85/51/26/387855126.db2.gz BKOQHUXERASUAI-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCO[C@H](C2CC2)C1 ZINC000423046039 387858398 /nfs/dbraw/zinc/85/83/98/387858398.db2.gz DVMOCIBSHOGBOR-SAXRGWBVSA-N 1 3 238.375 1.532 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1N[C@H](C)C1C[NH2+]C1 ZINC000423051458 387859803 /nfs/dbraw/zinc/85/98/03/387859803.db2.gz NJWHGJCFGRTCMQ-BNOWGMLFSA-N 1 3 240.391 1.778 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1CNC1 ZINC000423051458 387859804 /nfs/dbraw/zinc/85/98/04/387859804.db2.gz NJWHGJCFGRTCMQ-BNOWGMLFSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@H]1COc2ccc(F)cc21 ZINC000423054365 387860687 /nfs/dbraw/zinc/86/06/87/387860687.db2.gz UQBXIEIXGUZZOX-CABZTGNLSA-N 1 3 238.306 1.976 20 0 BDADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC000193652687 387860713 /nfs/dbraw/zinc/86/07/13/387860713.db2.gz LQKHYHRAXHNKGA-GASCZTMLSA-N 1 3 246.354 1.172 20 0 BDADHO CN1C[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC000193652687 387860716 /nfs/dbraw/zinc/86/07/16/387860716.db2.gz LQKHYHRAXHNKGA-GASCZTMLSA-N 1 3 246.354 1.172 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](N[C@H](C)C2C[NH2+]C2)C1(C)C ZINC000423051322 387860979 /nfs/dbraw/zinc/86/09/79/387860979.db2.gz NPDLLDHTEUTLDP-RAIGVLPGSA-N 1 3 240.391 1.776 20 0 BDADHO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)C1(C)C ZINC000423051322 387860983 /nfs/dbraw/zinc/86/09/83/387860983.db2.gz NPDLLDHTEUTLDP-RAIGVLPGSA-N 1 3 240.391 1.776 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCCN1C1CC1 ZINC000423071864 387871516 /nfs/dbraw/zinc/87/15/16/387871516.db2.gz GCNVRHCNGMCGJL-SGMGOOAPSA-N 1 3 239.407 1.719 20 0 BDADHO CC[C@H](N[C@H]1CC12CC[NH2+]CC2)c1ccn(C)n1 ZINC000643537039 387871705 /nfs/dbraw/zinc/87/17/05/387871705.db2.gz YISXSUGZUCESOL-AAEUAGOBSA-N 1 3 248.374 1.603 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc(CO)cc1 ZINC000643478207 387814997 /nfs/dbraw/zinc/81/49/97/387814997.db2.gz FENOVRZHKWHHGT-NEPJUHHUSA-N 1 3 236.359 1.437 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc(CO)cc1 ZINC000643478207 387815000 /nfs/dbraw/zinc/81/50/00/387815000.db2.gz FENOVRZHKWHHGT-NEPJUHHUSA-N 1 3 236.359 1.437 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H](CO)CC1CCCC1 ZINC000423103397 387889738 /nfs/dbraw/zinc/88/97/38/387889738.db2.gz PJIJYSPKKLMWMZ-MJBXVCDLSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000423105685 387891854 /nfs/dbraw/zinc/89/18/54/387891854.db2.gz ZHQFCQGEBQHTAS-IKOXMDCHSA-N 1 3 240.391 1.765 20 0 BDADHO C[C@H](NC[C@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423105568 387892137 /nfs/dbraw/zinc/89/21/37/387892137.db2.gz QULBNGUEXVFMNO-WCQYABFASA-N 1 3 240.391 1.373 20 0 BDADHO C[C@H]([NH2+]C[C@H](CO)CC1CCCC1)C1CNC1 ZINC000423105568 387892140 /nfs/dbraw/zinc/89/21/40/387892140.db2.gz QULBNGUEXVFMNO-WCQYABFASA-N 1 3 240.391 1.373 20 0 BDADHO OCCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000236503771 387893181 /nfs/dbraw/zinc/89/31/81/387893181.db2.gz XDBIIYXIJGNAKE-MELADBBJSA-N 1 3 240.391 1.659 20 0 BDADHO OCCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000236503771 387893187 /nfs/dbraw/zinc/89/31/87/387893187.db2.gz XDBIIYXIJGNAKE-MELADBBJSA-N 1 3 240.391 1.659 20 0 BDADHO CC(C)SCCN[C@@H](C)C1C[NH2+]C1 ZINC000423115033 387895549 /nfs/dbraw/zinc/89/55/49/387895549.db2.gz WXYNCPLUZAMANO-VIFPVBQESA-N 1 3 202.367 1.326 20 0 BDADHO CC(C)SCC[NH2+][C@@H](C)C1CNC1 ZINC000423115033 387895553 /nfs/dbraw/zinc/89/55/53/387895553.db2.gz WXYNCPLUZAMANO-VIFPVBQESA-N 1 3 202.367 1.326 20 0 BDADHO Cc1cccc(CCCN[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000423112830 387896148 /nfs/dbraw/zinc/89/61/48/387896148.db2.gz YBPCIVIGPDDNGU-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO CCCc1ncc(CN[C@@H](C)CCC[NH3+])o1 ZINC000423163743 387898236 /nfs/dbraw/zinc/89/82/36/387898236.db2.gz RPTALYRKIAJASJ-JTQLQIEISA-N 1 3 225.336 1.844 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cnc(C)s1 ZINC000629529769 387874984 /nfs/dbraw/zinc/87/49/84/387874984.db2.gz MLNDCNHMPRITRZ-SECBINFHSA-N 1 3 243.376 1.338 20 0 BDADHO C[C@@H](NCCC1CC(O)C1)[C@H]1CCCC[NH2+]1 ZINC000423075869 387876602 /nfs/dbraw/zinc/87/66/02/387876602.db2.gz POOVNXKZWNCKFK-IKWCTNDRSA-N 1 3 226.364 1.268 20 0 BDADHO CCNC(=O)C1(CN[C@@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423081222 387876720 /nfs/dbraw/zinc/87/67/20/387876720.db2.gz UQXLBKQMVNWPBB-MNOVXSKESA-N 1 3 241.379 1.008 20 0 BDADHO CO[C@H](CC[NH2+][C@@H](C)C[C@@H](C)N)C(F)(F)F ZINC000423076595 387876979 /nfs/dbraw/zinc/87/69/79/387876979.db2.gz ZJBXFETUMAQFDP-HRDYMLBCSA-N 1 3 242.285 1.669 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCC2CC(O)C2)c2ccccc21 ZINC000423078417 387876993 /nfs/dbraw/zinc/87/69/93/387876993.db2.gz VZZPAAKLNQNSRF-HBGGEXNNSA-N 1 3 246.354 1.882 20 0 BDADHO COCC[C@@H]([NH2+][C@@H](C)C1CNC1)C(C)(C)C ZINC000423117598 387898397 /nfs/dbraw/zinc/89/83/97/387898397.db2.gz WERJHRHAEDFTMO-CMPLNLGQSA-N 1 3 228.380 1.635 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000423082703 387878251 /nfs/dbraw/zinc/87/82/51/387878251.db2.gz FPWRWKBSWNBVCS-GHMZBOCLSA-N 1 3 228.405 1.860 20 0 BDADHO CSC1(C[NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000423086635 387879971 /nfs/dbraw/zinc/87/99/71/387879971.db2.gz MJFDWVZGOWSPQG-BDAKNGLRSA-N 1 3 202.367 1.597 20 0 BDADHO CSC1(CN[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423086635 387879974 /nfs/dbraw/zinc/87/99/74/387879974.db2.gz MJFDWVZGOWSPQG-BDAKNGLRSA-N 1 3 202.367 1.597 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423117905 387898556 /nfs/dbraw/zinc/89/85/56/387898556.db2.gz XTIWEDPJXXDWRD-SDDRHHMPSA-N 1 3 246.420 1.472 20 0 BDADHO C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)C1CNC1 ZINC000423098552 387886656 /nfs/dbraw/zinc/88/66/56/387886656.db2.gz SEUKIXDDQVBSHS-SECBINFHSA-N 1 3 210.365 1.866 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423102290 387888659 /nfs/dbraw/zinc/88/86/59/387888659.db2.gz DYPDRNIJCPWMMA-AAVRWANBSA-N 1 3 240.391 1.637 20 0 BDADHO COc1ncccc1CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423141059 387918287 /nfs/dbraw/zinc/91/82/87/387918287.db2.gz NSKDUTSLHDVZPK-WCQYABFASA-N 1 3 249.358 1.220 20 0 BDADHO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCC[C@H]1N ZINC000423120957 387901340 /nfs/dbraw/zinc/90/13/40/387901340.db2.gz ACOMJNXZDJTNAK-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO COc1ccncc1CN[C@@H](C)CCCC[NH3+] ZINC000423132484 387909730 /nfs/dbraw/zinc/90/97/30/387909730.db2.gz PFNVVCPODVBMJM-NSHDSACASA-N 1 3 237.347 1.697 20 0 BDADHO C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@H]2CCCOC2)C1 ZINC000423133115 387909900 /nfs/dbraw/zinc/90/99/00/387909900.db2.gz VLLHPIXBQIXUPB-CRWXNKLISA-N 1 3 238.375 1.676 20 0 BDADHO COCC1(CC[NH2+][C@@H](C)C[C@H](C)N)CCC1 ZINC000423135613 387914700 /nfs/dbraw/zinc/91/47/00/387914700.db2.gz OBGAIXOGWZJALK-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423155571 387933822 /nfs/dbraw/zinc/93/38/22/387933822.db2.gz QTZDOKQXMJJOIF-FPYNETTCSA-N 1 3 226.364 1.374 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@H]1N)Cc1ccccc1 ZINC000423157271 387936977 /nfs/dbraw/zinc/93/69/77/387936977.db2.gz MJIFIOZBRMPQDZ-ZNMIVQPWSA-N 1 3 248.370 1.714 20 0 BDADHO CCC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])OC ZINC000423144168 387920891 /nfs/dbraw/zinc/92/08/91/387920891.db2.gz GFGWTFPZTBVXAY-FDYHWXHSSA-N 1 3 244.379 1.143 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1=CCCCC1 ZINC000423148502 387925989 /nfs/dbraw/zinc/92/59/89/387925989.db2.gz VMYDBBNGXBLOLY-UBHSHLNASA-N 1 3 238.375 1.829 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCC[C@@H]1F ZINC000423149803 387927309 /nfs/dbraw/zinc/92/73/09/387927309.db2.gz XWJWBTGENFMPSZ-UKKRHICBSA-N 1 3 200.301 1.594 20 0 BDADHO CCn1ccc(CN[C@H](C)CCCC[NH3+])n1 ZINC000423167685 387952824 /nfs/dbraw/zinc/95/28/24/387952824.db2.gz FNJQEYZFRROARB-LLVKDONJSA-N 1 3 224.352 1.510 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423168472 387955282 /nfs/dbraw/zinc/95/52/82/387955282.db2.gz XZTCFHUNCSWIKR-IGQOVBAYSA-N 1 3 240.391 1.515 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCCC[C@H]1N ZINC000424292962 387955346 /nfs/dbraw/zinc/95/53/46/387955346.db2.gz PAGYQIOBLNWBMT-CHWSQXEVSA-N 1 3 236.363 1.441 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000423157980 387937601 /nfs/dbraw/zinc/93/76/01/387937601.db2.gz NJNJLDKYGPFIOA-DDTOSNHZSA-N 1 3 232.327 1.900 20 0 BDADHO Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCCCN2)cn1 ZINC000423159563 387942184 /nfs/dbraw/zinc/94/21/84/387942184.db2.gz FXPVETIJAAMJAA-OCCSQVGLSA-N 1 3 248.374 1.448 20 0 BDADHO CO[C@@H]([C@@H](C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423162566 387942838 /nfs/dbraw/zinc/94/28/38/387942838.db2.gz PXACBHLEDNYSOX-CPKPLZEKSA-N 1 3 238.375 1.673 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000424232697 387942865 /nfs/dbraw/zinc/94/28/65/387942865.db2.gz DQZCACDYPQEUQA-JTQLQIEISA-N 1 3 247.342 1.248 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CC2=CCCC2)C1 ZINC000645802326 387945207 /nfs/dbraw/zinc/94/52/07/387945207.db2.gz CSBJDWWEPDRLOP-CYBMUJFWSA-N 1 3 208.349 1.980 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCC[C@H]2CCOC2)C1 ZINC000645802427 387946396 /nfs/dbraw/zinc/94/63/96/387946396.db2.gz MVTPCVHTVDMUBU-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCc1ncc(CNC2CCC(C[NH3+])CC2)o1 ZINC000423163697 387946713 /nfs/dbraw/zinc/94/67/13/387946713.db2.gz RKWVYWQDHSHPSV-UHFFFAOYSA-N 1 3 237.347 1.844 20 0 BDADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165529 387947466 /nfs/dbraw/zinc/94/74/66/387947466.db2.gz YIWPBXNRFNDZNT-RFGFWPKPSA-N 1 3 238.375 1.676 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000423165222 387948309 /nfs/dbraw/zinc/94/83/09/387948309.db2.gz AUXQUBCEJSMQHF-FIQHERPVSA-N 1 3 224.348 1.413 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)nc1 ZINC000423165826 387949994 /nfs/dbraw/zinc/94/99/94/387949994.db2.gz QJWHLHVADGFVIW-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000423165826 387949998 /nfs/dbraw/zinc/94/99/98/387949998.db2.gz QJWHLHVADGFVIW-OCCSQVGLSA-N 1 3 233.359 1.650 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423167066 387950215 /nfs/dbraw/zinc/95/02/15/387950215.db2.gz WDZOKLLONBHSJY-MQYQWHSLSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC[C@@H](C)O1 ZINC000423166166 387950737 /nfs/dbraw/zinc/95/07/37/387950737.db2.gz QTLQKQVXHIDEJV-UKKRHICBSA-N 1 3 200.326 1.269 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C12CCC2 ZINC000423172848 387960176 /nfs/dbraw/zinc/96/01/76/387960176.db2.gz VQJRZUFFRKIGOZ-QNWHQSFQSA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]1c1ccco1 ZINC000423177779 387963702 /nfs/dbraw/zinc/96/37/02/387963702.db2.gz HWCBZQNRFVFMRN-IRCOFANPSA-N 1 3 220.316 1.853 20 0 BDADHO COCC1CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000423177367 387964450 /nfs/dbraw/zinc/96/44/50/387964450.db2.gz HIXJATIUQKUFDE-OKZRHMCRSA-N 1 3 228.380 1.907 20 0 BDADHO COCCC[C@H](C)N[C@@H]1CCC[NH2+]C1 ZINC000423178348 387964823 /nfs/dbraw/zinc/96/48/23/387964823.db2.gz BVJVMTDATMIFSE-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2(N)CCCCC2)C1 ZINC000423179878 387965873 /nfs/dbraw/zinc/96/58/73/387965873.db2.gz MRUGVSCJBKOMFX-CHWSQXEVSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000423183555 387969089 /nfs/dbraw/zinc/96/90/89/387969089.db2.gz MPLAELQRWAOFAZ-GWOFURMSSA-N 1 3 208.305 1.851 20 0 BDADHO C1CC([C@H]2CC[C@@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000423185396 387969916 /nfs/dbraw/zinc/96/99/16/387969916.db2.gz JFIFRYGEGJYWTD-UPJWGTAASA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H](c1ccccc1)[C@H](C)NCCC[NH3+] ZINC000423183823 387969995 /nfs/dbraw/zinc/96/99/95/387969995.db2.gz HWDZNGNJJCWFQO-AAEUAGOBSA-N 1 3 222.332 1.701 20 0 BDADHO C1CC([C@H]2CC[C@H]2N[C@@H]2CCC[NH2+]C2)C1 ZINC000423185395 387970467 /nfs/dbraw/zinc/97/04/67/387970467.db2.gz JFIFRYGEGJYWTD-JHJVBQTASA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H]1c1ccco1 ZINC000423183560 387970590 /nfs/dbraw/zinc/97/05/90/387970590.db2.gz MPLAELQRWAOFAZ-UKKRHICBSA-N 1 3 208.305 1.851 20 0 BDADHO C[C@H]1CSCC[N@@H+]1CC[C@H]1CCCN1C ZINC000245683573 387971852 /nfs/dbraw/zinc/97/18/52/387971852.db2.gz URJKUOIPASQPNQ-NWDGAFQWSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@H]1CSCC[N@H+]1CC[C@H]1CCCN1C ZINC000245683573 387971856 /nfs/dbraw/zinc/97/18/56/387971856.db2.gz URJKUOIPASQPNQ-NWDGAFQWSA-N 1 3 228.405 1.908 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1CCCC[C@H]1F ZINC000423196182 387981496 /nfs/dbraw/zinc/98/14/96/387981496.db2.gz ZEQKNGMYUISLOH-WISYIIOYSA-N 1 3 214.328 1.984 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000245697967 387972662 /nfs/dbraw/zinc/97/26/62/387972662.db2.gz XDQHLDHDYZSLRV-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCOC1 ZINC000245697967 387972668 /nfs/dbraw/zinc/97/26/68/387972668.db2.gz XDQHLDHDYZSLRV-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)[C@H](Cn1cccn1)[NH2+]C1CCNCC1 ZINC000423189244 387974254 /nfs/dbraw/zinc/97/42/54/387974254.db2.gz QRDTYMBRQQWYCQ-ZDUSSCGKSA-N 1 3 236.363 1.249 20 0 BDADHO CC(C)[C@H](Cn1cccn1)NC1CC[NH2+]CC1 ZINC000423189244 387974257 /nfs/dbraw/zinc/97/42/57/387974257.db2.gz QRDTYMBRQQWYCQ-ZDUSSCGKSA-N 1 3 236.363 1.249 20 0 BDADHO CNCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423202254 387987530 /nfs/dbraw/zinc/98/75/30/387987530.db2.gz QLBJZNBLAIEPCB-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO COCC[C@H](Cc1cccc(F)c1)NCC[NH3+] ZINC000423196098 387982524 /nfs/dbraw/zinc/98/25/24/387982524.db2.gz YUYBAWOVVGIMDU-CYBMUJFWSA-N 1 3 240.322 1.322 20 0 BDADHO C[NH2+]CCCN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000423199316 387985686 /nfs/dbraw/zinc/98/56/86/387985686.db2.gz JQUJDVXILLNSPE-RYUDHWBXSA-N 1 3 228.380 1.778 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218916 387999362 /nfs/dbraw/zinc/99/93/62/387999362.db2.gz SLHXWTJDRBKJCK-NNYUYHANSA-N 1 3 214.353 1.388 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423218916 387999366 /nfs/dbraw/zinc/99/93/66/387999366.db2.gz SLHXWTJDRBKJCK-NNYUYHANSA-N 1 3 214.353 1.388 20 0 BDADHO C[C@@H]([NH3+])CCN[C@@H]1CCc2ccccc2OC1 ZINC000423224158 388006448 /nfs/dbraw/zinc/00/64/48/388006448.db2.gz IJYHPKZQHAZVQT-DGCLKSJQSA-N 1 3 234.343 1.707 20 0 BDADHO CCC1(CC)[C@H](NCC[C@H](C)[NH3+])C[C@H]1OC ZINC000423227614 388011402 /nfs/dbraw/zinc/01/14/02/388011402.db2.gz WJXBWLIMSBZZRW-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO CCC1(CC)[C@H]([NH2+]CC[C@H](C)N)C[C@H]1OC ZINC000423227614 388011405 /nfs/dbraw/zinc/01/14/05/388011405.db2.gz WJXBWLIMSBZZRW-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@H](NC1CCC([NH3+])CC1)c1ccn(C)n1 ZINC000423242109 388025829 /nfs/dbraw/zinc/02/58/29/388025829.db2.gz YMUMIWKZJANVPM-MCIGGMRASA-N 1 3 236.363 1.731 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423231193 388017158 /nfs/dbraw/zinc/01/71/58/388017158.db2.gz GCBXQTPZLFXCPW-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000156775924 388032672 /nfs/dbraw/zinc/03/26/72/388032672.db2.gz QCHXHZYLZIVIHD-ZIAGYGMSSA-N 1 3 241.423 1.791 20 0 BDADHO N[C@H](CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423254823 388037327 /nfs/dbraw/zinc/03/73/27/388037327.db2.gz ZPQPPKLTCIMIQG-UPJWGTAASA-N 1 3 219.332 1.156 20 0 BDADHO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000423262763 388040689 /nfs/dbraw/zinc/04/06/89/388040689.db2.gz NKKMVVKNSMHKLY-CMPLNLGQSA-N 1 3 238.379 1.753 20 0 BDADHO CNC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000423265451 388043443 /nfs/dbraw/zinc/04/34/43/388043443.db2.gz RCMJRQPTNSKTIZ-ZYHUDNBSSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](NC[C@H](N)c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423244549 388028317 /nfs/dbraw/zinc/02/83/17/388028317.db2.gz HRSQNVZJZVXTPU-QEJZJMRPSA-N 1 3 247.386 1.807 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423278579 388060448 /nfs/dbraw/zinc/06/04/48/388060448.db2.gz QWQIYTSIQSUZRF-UHTWSYAYSA-N 1 3 225.380 1.042 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H](Cn1cccn1)C(C)C ZINC000423284687 388067762 /nfs/dbraw/zinc/06/77/62/388067762.db2.gz YSZXCVGXUSLBAG-OLZOCXBDSA-N 1 3 238.379 1.353 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423284687 388067764 /nfs/dbraw/zinc/06/77/64/388067764.db2.gz YSZXCVGXUSLBAG-OLZOCXBDSA-N 1 3 238.379 1.353 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000423284669 388068018 /nfs/dbraw/zinc/06/80/18/388068018.db2.gz YRGKTKIMAMHYRH-MNOVXSKESA-N 1 3 214.353 1.247 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cc1ccoc1 ZINC000423285738 388068253 /nfs/dbraw/zinc/06/82/53/388068253.db2.gz ZYIVDOCFYYMSNG-GHMZBOCLSA-N 1 3 210.321 1.656 20 0 BDADHO Cc1n[nH]cc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000084216288 388075676 /nfs/dbraw/zinc/07/56/76/388075676.db2.gz NHXSBEBKGKTSDZ-CMPLNLGQSA-N 1 3 222.336 1.325 20 0 BDADHO C[C@@H](O)[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000118946342 388099805 /nfs/dbraw/zinc/09/98/05/388099805.db2.gz JBTDPOFJKGJVML-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@H](C)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104926 388143244 /nfs/dbraw/zinc/14/32/44/388143244.db2.gz WDZLSTVEOGDDPN-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1c[nH]nc1CNC(C)(C)CCC[NH+](C)C ZINC000449527960 388224979 /nfs/dbraw/zinc/22/49/79/388224979.db2.gz MFTXPTOJCBKOTP-UHFFFAOYSA-N 1 3 238.379 1.928 20 0 BDADHO C[C@@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C ZINC000449558149 388230274 /nfs/dbraw/zinc/23/02/74/388230274.db2.gz WCDHLTYOIBGRKE-AVGNSLFASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C ZINC000449558149 388230277 /nfs/dbraw/zinc/23/02/77/388230277.db2.gz WCDHLTYOIBGRKE-AVGNSLFASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H](N)c1ccccc1 ZINC000449597074 388239549 /nfs/dbraw/zinc/23/95/49/388239549.db2.gz YQEBIFGUYBKMOU-BLFANLJRSA-N 1 3 249.358 1.174 20 0 BDADHO CC(C)[C@]1(C)C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000397217742 388343422 /nfs/dbraw/zinc/34/34/22/388343422.db2.gz DDWHWIYCAJQPKU-IHRRRGAJSA-N 1 3 240.391 1.467 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000261532156 135162927 /nfs/dbraw/zinc/16/29/27/135162927.db2.gz JKWSPKVMBCJTKE-QMMMGPOBSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@H]1C[C@@H](NCCOC(C)(C)C)CC[N@@H+]1C ZINC000163719698 388366714 /nfs/dbraw/zinc/36/67/14/388366714.db2.gz HIAMMBXPBMBMSD-RYUDHWBXSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H]1C[C@@H](NCCOC(C)(C)C)CC[N@H+]1C ZINC000163719698 388366716 /nfs/dbraw/zinc/36/67/16/388366716.db2.gz HIAMMBXPBMBMSD-RYUDHWBXSA-N 1 3 228.380 1.874 20 0 BDADHO CCCC[C@@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236815469 388383820 /nfs/dbraw/zinc/38/38/20/388383820.db2.gz AZTRSRQPETYLJE-CYBMUJFWSA-N 1 3 249.358 1.862 20 0 BDADHO CC[C@H](N)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000236913884 388386766 /nfs/dbraw/zinc/38/67/66/388386766.db2.gz IUFZPCGRBPYRLO-ZDUSSCGKSA-N 1 3 249.358 1.102 20 0 BDADHO NCc1cccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000646578792 388388498 /nfs/dbraw/zinc/38/84/98/388388498.db2.gz FHQQZNXKGHEHHO-JSGCOSHPSA-N 1 3 245.326 1.083 20 0 BDADHO C[NH2+]C[C@@H](C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000237294815 388393253 /nfs/dbraw/zinc/39/32/53/388393253.db2.gz UCGHNQIYDJVCKQ-YPMHNXCESA-N 1 3 249.358 1.048 20 0 BDADHO Cn1cc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)cn1 ZINC000515498320 256748868 /nfs/dbraw/zinc/74/88/68/256748868.db2.gz GQXQLFXHKMAOQS-QWHCGFSZSA-N 1 3 236.363 1.212 20 0 BDADHO Cn1cc(CCCN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000515498320 256748870 /nfs/dbraw/zinc/74/88/70/256748870.db2.gz GQXQLFXHKMAOQS-QWHCGFSZSA-N 1 3 236.363 1.212 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000573108284 388420560 /nfs/dbraw/zinc/42/05/60/388420560.db2.gz FXMVRHVZUZYPIS-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CCC12CCOCC2 ZINC000573108284 388420563 /nfs/dbraw/zinc/42/05/63/388420563.db2.gz FXMVRHVZUZYPIS-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCN ZINC000307596969 388424807 /nfs/dbraw/zinc/42/48/07/388424807.db2.gz MYWILWJLRKCTRR-TZMCWYRMSA-N 1 3 233.359 1.055 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336888321 388429410 /nfs/dbraw/zinc/42/94/10/388429410.db2.gz FFIIVFFWQNUEOZ-AVGNSLFASA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336888321 388429411 /nfs/dbraw/zinc/42/94/11/388429411.db2.gz FFIIVFFWQNUEOZ-AVGNSLFASA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@@H]1COCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000573266711 388437520 /nfs/dbraw/zinc/43/75/20/388437520.db2.gz KXGQNGCMHYZQLU-MROQNXINSA-N 1 3 242.363 1.040 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000520838202 388537870 /nfs/dbraw/zinc/53/78/70/388537870.db2.gz SWYVQKRQCYSHFQ-MJBXVCDLSA-N 1 3 242.407 1.891 20 0 BDADHO c1n[nH]cc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353625290 388542635 /nfs/dbraw/zinc/54/26/35/388542635.db2.gz FXUDARNSPPVKCO-QWHCGFSZSA-N 1 3 234.347 1.169 20 0 BDADHO c1n[nH]cc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353625290 388542638 /nfs/dbraw/zinc/54/26/38/388542638.db2.gz FXUDARNSPPVKCO-QWHCGFSZSA-N 1 3 234.347 1.169 20 0 BDADHO CCn1cc([C@H](C)NCC2=CC[N@H+](C)CC2)cn1 ZINC000344289586 388506230 /nfs/dbraw/zinc/50/62/30/388506230.db2.gz LFMOXWRFXKNHCB-LBPRGKRZSA-N 1 3 248.374 1.816 20 0 BDADHO CCn1cc([C@H](C)NCC2=CC[N@@H+](C)CC2)cn1 ZINC000344289586 388506233 /nfs/dbraw/zinc/50/62/33/388506233.db2.gz LFMOXWRFXKNHCB-LBPRGKRZSA-N 1 3 248.374 1.816 20 0 BDADHO CC(C)CC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000344771870 388510211 /nfs/dbraw/zinc/51/02/11/388510211.db2.gz UXACHXUMBNHJAX-ZDUSSCGKSA-N 1 3 242.407 1.857 20 0 BDADHO CSC[C@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000516921789 388524417 /nfs/dbraw/zinc/52/44/17/388524417.db2.gz MMERRXQJUOJTIP-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000516921789 388524420 /nfs/dbraw/zinc/52/44/20/388524420.db2.gz MMERRXQJUOJTIP-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000516938323 388526120 /nfs/dbraw/zinc/52/61/20/388526120.db2.gz NQBWNGHYPMQRQI-LBPRGKRZSA-N 1 3 238.375 1.365 20 0 BDADHO [NH3+]CCC1CCN(CC2(F)CC2)CC1 ZINC000516973950 388530250 /nfs/dbraw/zinc/53/02/50/388530250.db2.gz MFWIMIRMYKVXIG-UHFFFAOYSA-N 1 3 200.301 1.549 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000528757995 388567512 /nfs/dbraw/zinc/56/75/12/388567512.db2.gz DNAZBQWXDKXHNG-PDWCTOEPSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000528757995 388567514 /nfs/dbraw/zinc/56/75/14/388567514.db2.gz DNAZBQWXDKXHNG-PDWCTOEPSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000528757995 388567515 /nfs/dbraw/zinc/56/75/15/388567515.db2.gz DNAZBQWXDKXHNG-PDWCTOEPSA-N 1 3 240.391 1.872 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000245452858 388580141 /nfs/dbraw/zinc/58/01/41/388580141.db2.gz QSLVCISOSCMGOI-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000245452858 388580142 /nfs/dbraw/zinc/58/01/42/388580142.db2.gz QSLVCISOSCMGOI-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2F)C1 ZINC000522014324 388675048 /nfs/dbraw/zinc/67/50/48/388675048.db2.gz RYMGLNWJUBUONJ-XWLWVQCSSA-N 1 3 200.301 1.737 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000621702204 388677394 /nfs/dbraw/zinc/67/73/94/388677394.db2.gz LBTLXMNYHCMQJH-GWCFXTLKSA-N 1 3 247.342 1.075 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCOC2)CCN1 ZINC000530213019 388627588 /nfs/dbraw/zinc/62/75/88/388627588.db2.gz SUBAAPHHJYUASD-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cn1 ZINC000530221970 388633069 /nfs/dbraw/zinc/63/30/69/388633069.db2.gz QCLVIDDQOSWHOD-CHWSQXEVSA-N 1 3 249.358 1.350 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000530221970 388633071 /nfs/dbraw/zinc/63/30/71/388633071.db2.gz QCLVIDDQOSWHOD-CHWSQXEVSA-N 1 3 249.358 1.350 20 0 BDADHO C[C@H](C[NH2+]C1CCNCC1)c1ccncc1 ZINC000530222579 388633149 /nfs/dbraw/zinc/63/31/49/388633149.db2.gz RPXKZNATGZRKEG-LLVKDONJSA-N 1 3 219.332 1.527 20 0 BDADHO C[C@H](CNC1CC[NH2+]CC1)c1ccncc1 ZINC000530222579 388633151 /nfs/dbraw/zinc/63/31/51/388633151.db2.gz RPXKZNATGZRKEG-LLVKDONJSA-N 1 3 219.332 1.527 20 0 BDADHO COc1ccc(CCN[C@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000530221878 388633274 /nfs/dbraw/zinc/63/32/74/388633274.db2.gz PIFLHQBXFJIOSO-YPMHNXCESA-N 1 3 249.358 1.220 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530223337 388634103 /nfs/dbraw/zinc/63/41/03/388634103.db2.gz UEQKJKSZGWVUOK-QCXCNERSSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC12CC(C1)CO2 ZINC000530223337 388634104 /nfs/dbraw/zinc/63/41/04/388634104.db2.gz UEQKJKSZGWVUOK-QCXCNERSSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1CC(F)(F)CCN1CCOCC[NH3+] ZINC000530232449 388636563 /nfs/dbraw/zinc/63/65/63/388636563.db2.gz PNLNRXZJLFKQLV-SECBINFHSA-N 1 3 222.279 1.081 20 0 BDADHO COCCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000530240986 388638251 /nfs/dbraw/zinc/63/82/51/388638251.db2.gz AJAZRNCPUCWRHN-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H](CNC[C@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244951 388638974 /nfs/dbraw/zinc/63/89/74/388638974.db2.gz RIBCLUOAOBDKBV-GXTWGEPZSA-N 1 3 233.359 1.774 20 0 BDADHO C(C[C@H]1CCOC1)[NH2+][C@H]1CCNC12CCC2 ZINC000530243893 388639088 /nfs/dbraw/zinc/63/90/88/388639088.db2.gz INLBGGJAFYCSKN-RYUDHWBXSA-N 1 3 224.348 1.287 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000246999563 388656573 /nfs/dbraw/zinc/65/65/73/388656573.db2.gz KPBMKOMEARGXFF-MJBXVCDLSA-N 1 3 239.407 1.401 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000227084558 388739858 /nfs/dbraw/zinc/73/98/58/388739858.db2.gz QLFTYWJZDOZHEF-SRVKXCTJSA-N 1 3 212.337 1.273 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000248988735 388703614 /nfs/dbraw/zinc/70/36/14/388703614.db2.gz FMKXEJQQRWZMNJ-IGQOVBAYSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000248988735 388703617 /nfs/dbraw/zinc/70/36/17/388703617.db2.gz FMKXEJQQRWZMNJ-IGQOVBAYSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000248988735 388703620 /nfs/dbraw/zinc/70/36/20/388703620.db2.gz FMKXEJQQRWZMNJ-IGQOVBAYSA-N 1 3 238.375 1.770 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@H]1C[C@H](C)O ZINC000249121419 388709445 /nfs/dbraw/zinc/70/94/45/388709445.db2.gz WXRMCCXGSCPLEA-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000249121419 388709447 /nfs/dbraw/zinc/70/94/47/388709447.db2.gz WXRMCCXGSCPLEA-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000249121419 388709450 /nfs/dbraw/zinc/70/94/50/388709450.db2.gz WXRMCCXGSCPLEA-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO Cc1nc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cs1 ZINC000226313576 388714688 /nfs/dbraw/zinc/71/46/88/388714688.db2.gz PXFUGDYQGXKGTC-MNOVXSKESA-N 1 3 239.388 1.854 20 0 BDADHO CC[C@H](O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000253025235 388798219 /nfs/dbraw/zinc/79/82/19/388798219.db2.gz MTXXITMGMXJCKE-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO CC[C@H](O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000253025235 388798226 /nfs/dbraw/zinc/79/82/26/388798226.db2.gz MTXXITMGMXJCKE-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000252709491 388773967 /nfs/dbraw/zinc/77/39/67/388773967.db2.gz CZRYIQJPTUKPFP-MGPQQGTHSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCN(C)C)CCN1C ZINC000129553483 388851394 /nfs/dbraw/zinc/85/13/94/388851394.db2.gz XSCJRQGGNYXKLC-NWDGAFQWSA-N 1 3 213.369 1.010 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000129588999 388855419 /nfs/dbraw/zinc/85/54/19/388855419.db2.gz VEIMBFKICSQDQR-CHWSQXEVSA-N 1 3 227.396 1.401 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000129683299 388865160 /nfs/dbraw/zinc/86/51/60/388865160.db2.gz XHVBYHSOUQQFBS-MGPQQGTHSA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@@H]1CCC[C@@H]1NC[C@@]1(COC)CCC[NH2+]1 ZINC000564827801 388891410 /nfs/dbraw/zinc/89/14/10/388891410.db2.gz INSVDASERKJOPR-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]1CCC[C@H]1NC[C@@]1(COC)CCC[NH2+]1 ZINC000564827803 388891626 /nfs/dbraw/zinc/89/16/26/388891626.db2.gz INSVDASERKJOPR-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+]CCCCC(=O)Nc1ccc2c(c1)CNC2 ZINC000565656039 388960509 /nfs/dbraw/zinc/96/05/09/388960509.db2.gz CSFHBPAHTMAVMR-UHFFFAOYSA-N 1 3 233.315 1.357 20 0 BDADHO CC[NH2+]CCCN[C@@H]1CCCSC1 ZINC000565710253 388965212 /nfs/dbraw/zinc/96/52/12/388965212.db2.gz BSEUAXITSNBXLS-SNVBAGLBSA-N 1 3 202.367 1.471 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000153368321 388967436 /nfs/dbraw/zinc/96/74/36/388967436.db2.gz QQNJMUDWKSOCLK-STQMWFEESA-N 1 3 228.380 1.590 20 0 BDADHO CC[C@@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000565538478 388952527 /nfs/dbraw/zinc/95/25/27/388952527.db2.gz KKFDWAPSGWVSJR-LLVKDONJSA-N 1 3 221.304 1.130 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCNc2ccccn2)C1 ZINC000565843432 388974480 /nfs/dbraw/zinc/97/44/80/388974480.db2.gz NTNYDCSNKZMIEW-VXGBXAGGSA-N 1 3 234.347 1.353 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNCC[C@H]2C)C[C@H](C)O1 ZINC000566090657 388987363 /nfs/dbraw/zinc/98/73/63/388987363.db2.gz HHKCRRHXFFXRJQ-RKQHYHRCSA-N 1 3 240.391 1.920 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325698 533371018 /nfs/dbraw/zinc/37/10/18/533371018.db2.gz OQBXLCQPYUAFCY-JHJVBQTASA-N 1 3 224.348 1.239 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325698 533371023 /nfs/dbraw/zinc/37/10/23/533371023.db2.gz OQBXLCQPYUAFCY-JHJVBQTASA-N 1 3 224.348 1.239 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@H]1CCOC1 ZINC000251325698 533371030 /nfs/dbraw/zinc/37/10/30/533371030.db2.gz OQBXLCQPYUAFCY-JHJVBQTASA-N 1 3 224.348 1.239 20 0 BDADHO C(N[C@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000335644331 533371679 /nfs/dbraw/zinc/37/16/79/533371679.db2.gz TVZPODWWZVUALO-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO Cc1cc(N2C[C@@H](C)N(C)C[C@H]2C)cc[nH+]1 ZINC000336626373 132218894 /nfs/dbraw/zinc/21/88/94/132218894.db2.gz XBVVYVYSCAOOSS-VXGBXAGGSA-N 1 3 219.332 1.919 20 0 BDADHO Cc1cnccc1N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368450757 132283433 /nfs/dbraw/zinc/28/34/33/132283433.db2.gz SPJYAWHDVBNCRT-JSGCOSHPSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cnccc1N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000368450757 132283435 /nfs/dbraw/zinc/28/34/35/132283435.db2.gz SPJYAWHDVBNCRT-JSGCOSHPSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1c[nH+]ccc1N1CC[C@@H]2CCN(C)[C@H]2C1 ZINC000368450757 132283438 /nfs/dbraw/zinc/28/34/38/132283438.db2.gz SPJYAWHDVBNCRT-JSGCOSHPSA-N 1 3 231.343 1.920 20 0 BDADHO CC[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000034824232 132294918 /nfs/dbraw/zinc/29/49/18/132294918.db2.gz NWDXEIRZODHWJN-UHFFFAOYSA-N 1 3 247.386 1.938 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000335492791 133865232 /nfs/dbraw/zinc/86/52/32/133865232.db2.gz BWMXRARJKNNZLW-RKDXNWHRSA-N 1 3 233.315 1.212 20 0 BDADHO [NH3+]CCCN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000168082327 134156052 /nfs/dbraw/zinc/15/60/52/134156052.db2.gz RFIZSCATLFRTQC-LBPRGKRZSA-N 1 3 224.735 1.746 20 0 BDADHO NCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000168082327 134156053 /nfs/dbraw/zinc/15/60/53/134156053.db2.gz RFIZSCATLFRTQC-LBPRGKRZSA-N 1 3 224.735 1.746 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](C)CO ZINC000224251182 134345440 /nfs/dbraw/zinc/34/54/40/134345440.db2.gz KAUWMLOBEPWHQS-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H](CO)Cc1ccccc1 ZINC000227087658 134374466 /nfs/dbraw/zinc/37/44/66/134374466.db2.gz AFJDUXITULVNIY-RRFJBIMHSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)Cc1ccccc1 ZINC000227087658 134374467 /nfs/dbraw/zinc/37/44/67/134374467.db2.gz AFJDUXITULVNIY-RRFJBIMHSA-N 1 3 248.370 1.307 20 0 BDADHO CCN(CC)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000068080010 134892954 /nfs/dbraw/zinc/89/29/54/134892954.db2.gz BEHZSWHLLWMVJX-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250364203 135052259 /nfs/dbraw/zinc/05/22/59/135052259.db2.gz UMBLDQGRHRINAJ-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCOC2)C1 ZINC000250364203 135052261 /nfs/dbraw/zinc/05/22/61/135052261.db2.gz UMBLDQGRHRINAJ-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCOC2)C1 ZINC000250364203 135052263 /nfs/dbraw/zinc/05/22/63/135052263.db2.gz UMBLDQGRHRINAJ-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251098956 135064169 /nfs/dbraw/zinc/06/41/69/135064169.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251098956 135064170 /nfs/dbraw/zinc/06/41/70/135064170.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251098956 135064173 /nfs/dbraw/zinc/06/41/73/135064173.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251098956 135064174 /nfs/dbraw/zinc/06/41/74/135064174.db2.gz DBIZBRJBORRAFW-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000251113397 135064352 /nfs/dbraw/zinc/06/43/52/135064352.db2.gz PJLBJCAMTRHNSM-REWJHTLYSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000251113397 135064353 /nfs/dbraw/zinc/06/43/53/135064353.db2.gz PJLBJCAMTRHNSM-REWJHTLYSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](CCCO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251187883 135064806 /nfs/dbraw/zinc/06/48/06/135064806.db2.gz INLSAKPEGBTRDC-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251187883 135064808 /nfs/dbraw/zinc/06/48/08/135064808.db2.gz INLSAKPEGBTRDC-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCCO)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251187883 135064810 /nfs/dbraw/zinc/06/48/10/135064810.db2.gz INLSAKPEGBTRDC-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](CCO)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251195101 135065911 /nfs/dbraw/zinc/06/59/11/135065911.db2.gz JUGVEPPFFCIUIB-MGPQQGTHSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251212285 135066153 /nfs/dbraw/zinc/06/61/53/135066153.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251212285 135066156 /nfs/dbraw/zinc/06/61/56/135066156.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000251212285 135066159 /nfs/dbraw/zinc/06/61/59/135066159.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000251212285 135066161 /nfs/dbraw/zinc/06/61/61/135066161.db2.gz MQCHQAIYIHSWMU-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](CCO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251206980 135066411 /nfs/dbraw/zinc/06/64/11/135066411.db2.gz LQJZEYHAOWBMNM-AGIUHOORSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251206980 135066412 /nfs/dbraw/zinc/06/64/12/135066412.db2.gz LQJZEYHAOWBMNM-AGIUHOORSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)C[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251206980 135066414 /nfs/dbraw/zinc/06/64/14/135066414.db2.gz LQJZEYHAOWBMNM-AGIUHOORSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](C)CO ZINC000251197351 135066702 /nfs/dbraw/zinc/06/67/02/135066702.db2.gz KAUWMLOBEPWHQS-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000251455481 135069710 /nfs/dbraw/zinc/06/97/10/135069710.db2.gz CCOCOJRQQBETMJ-CRWXNKLISA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000251455481 135069712 /nfs/dbraw/zinc/06/97/12/135069712.db2.gz CCOCOJRQQBETMJ-CRWXNKLISA-N 1 3 238.375 1.770 20 0 BDADHO Cc1cccc(CN(C)CCOCC[NH3+])c1 ZINC000086435461 135084594 /nfs/dbraw/zinc/08/45/94/135084594.db2.gz KESWLRWHOHPCAJ-UHFFFAOYSA-N 1 3 222.332 1.402 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494265 135086671 /nfs/dbraw/zinc/08/66/71/135086671.db2.gz HNZZFHSYVRSVSB-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499948 135087378 /nfs/dbraw/zinc/08/73/78/135087378.db2.gz XYAFZZISIRAAQK-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO CCCCOCCN(C)CC(C)(C)C[NH3+] ZINC000086638401 135091867 /nfs/dbraw/zinc/09/18/67/135091867.db2.gz CYKJXAFWWLMAAQ-UHFFFAOYSA-N 1 3 216.369 1.720 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252689865 135097290 /nfs/dbraw/zinc/09/72/90/135097290.db2.gz SLDVMTLEWAVPDO-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCO[C@H]2C)C1 ZINC000252689865 135097292 /nfs/dbraw/zinc/09/72/92/135097292.db2.gz SLDVMTLEWAVPDO-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CCO[C@H]2C)C1 ZINC000252689865 135097294 /nfs/dbraw/zinc/09/72/94/135097294.db2.gz SLDVMTLEWAVPDO-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)COC)C1 ZINC000252710373 135099270 /nfs/dbraw/zinc/09/92/70/135099270.db2.gz GLDMTLVYEQXYEV-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@H](C)COC)C1 ZINC000252710373 135099273 /nfs/dbraw/zinc/09/92/73/135099273.db2.gz GLDMTLVYEQXYEV-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000252711131 135099763 /nfs/dbraw/zinc/09/97/63/135099763.db2.gz IPQUNRKRTJEZPF-AGIUHOORSA-N 1 3 239.407 1.541 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252746575 135106693 /nfs/dbraw/zinc/10/66/93/135106693.db2.gz BNBMLJVEASXZRL-ODXJTPSBSA-N 1 3 240.391 1.656 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000253022334 135119496 /nfs/dbraw/zinc/11/94/96/135119496.db2.gz KYOOFLBEPZMQLV-QJPTWQEYSA-N 1 3 214.353 1.255 20 0 BDADHO Cc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000257706606 135140263 /nfs/dbraw/zinc/14/02/63/135140263.db2.gz RJXINXHKTGYDMO-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO C([C@@H]1CCSC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000257739686 135141200 /nfs/dbraw/zinc/14/12/00/135141200.db2.gz YQQCCEWKYYBERD-QWHCGFSZSA-N 1 3 240.416 1.815 20 0 BDADHO Cc1c[nH]nc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000257732591 135141237 /nfs/dbraw/zinc/14/12/37/135141237.db2.gz XJWSCZLTRARZGW-UHFFFAOYSA-N 1 3 234.347 1.294 20 0 BDADHO c1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000259379362 135142642 /nfs/dbraw/zinc/14/26/42/135142642.db2.gz VYTXNFREEZVCSF-AWEZNQCLSA-N 1 3 245.370 1.903 20 0 BDADHO COC[C@H]([NH2+]CCCN1CCCC1)C1CC1 ZINC000087477680 135143379 /nfs/dbraw/zinc/14/33/79/135143379.db2.gz BGSUGCPOEHFHFL-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO COC[C@H](NCCC[NH+]1CCCC1)C1CC1 ZINC000087477680 135143381 /nfs/dbraw/zinc/14/33/81/135143381.db2.gz BGSUGCPOEHFHFL-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)(O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261538814 135176966 /nfs/dbraw/zinc/17/69/66/135176966.db2.gz ZKRPKVJKXJTCPT-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO CSC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261539265 135177554 /nfs/dbraw/zinc/17/75/54/135177554.db2.gz BZNSXUIEKIOBLO-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO CSC[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261539265 135177555 /nfs/dbraw/zinc/17/75/55/135177555.db2.gz BZNSXUIEKIOBLO-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO COCC(C)(C)C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000261539884 135178952 /nfs/dbraw/zinc/17/89/52/135178952.db2.gz DHHZSGUYUQEVDQ-GHMZBOCLSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000261539884 135178953 /nfs/dbraw/zinc/17/89/53/135178953.db2.gz DHHZSGUYUQEVDQ-GHMZBOCLSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H]1CCC[N@H+](CCc2cnn(C)c2)[C@H]1CN ZINC000261541588 135181605 /nfs/dbraw/zinc/18/16/05/135181605.db2.gz KPKNHZKJHLWRBU-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@H]1CN ZINC000261541588 135181607 /nfs/dbraw/zinc/18/16/07/135181607.db2.gz KPKNHZKJHLWRBU-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO C[C@]1(CN2CC[C@H](C3CC3)C2)CC[NH2+]C1 ZINC000261543686 135184853 /nfs/dbraw/zinc/18/48/53/135184853.db2.gz HXWMLVPRKRPQGX-STQMWFEESA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)CCS1 ZINC000261549710 135188671 /nfs/dbraw/zinc/18/86/71/135188671.db2.gz PBUYGMYNDIEHLE-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)CCS1 ZINC000261549710 135188672 /nfs/dbraw/zinc/18/86/72/135188672.db2.gz PBUYGMYNDIEHLE-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)CCS1 ZINC000261549710 135188673 /nfs/dbraw/zinc/18/86/73/135188673.db2.gz PBUYGMYNDIEHLE-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216624 135192685 /nfs/dbraw/zinc/19/26/85/135192685.db2.gz HMSPJKQFWJVXSM-UTUOFQBUSA-N 1 3 214.353 1.376 20 0 BDADHO CCCCOCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216368 135192887 /nfs/dbraw/zinc/19/28/87/135192887.db2.gz RJMHDMDKFSENPY-OLZOCXBDSA-N 1 3 228.380 1.910 20 0 BDADHO CCCCOCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216368 135192889 /nfs/dbraw/zinc/19/28/89/135192889.db2.gz RJMHDMDKFSENPY-OLZOCXBDSA-N 1 3 228.380 1.910 20 0 BDADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000261556472 135196953 /nfs/dbraw/zinc/19/69/53/135196953.db2.gz QUBVGYSTWYCJOQ-GMXVVIOVSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@H]1CNCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000261559321 135200678 /nfs/dbraw/zinc/20/06/78/135200678.db2.gz TXAUUFNXIRKWLB-NHYWBVRUSA-N 1 3 230.355 1.741 20 0 BDADHO C[C@H]1C[NH2+]CC[C@@H]1NC1Cc2ccccc2C1 ZINC000261559321 135200679 /nfs/dbraw/zinc/20/06/79/135200679.db2.gz TXAUUFNXIRKWLB-NHYWBVRUSA-N 1 3 230.355 1.741 20 0 BDADHO CC(C)([NH3+])CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000261563788 135205370 /nfs/dbraw/zinc/20/53/70/135205370.db2.gz BZUDHPZDXJZWKO-GHMZBOCLSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1cccc(OCC[NH2+]CC(C)(C)N)c1 ZINC000261573065 135214538 /nfs/dbraw/zinc/21/45/38/135214538.db2.gz ILLLSKOVRHMCHZ-UHFFFAOYSA-N 1 3 222.332 1.701 20 0 BDADHO CC1(C)CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384861 135217923 /nfs/dbraw/zinc/21/79/23/135217923.db2.gz ZHKJKWOYIPRTHV-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO Cc1cnn(CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261578731 135220088 /nfs/dbraw/zinc/22/00/88/135220088.db2.gz PAHLNELNJYDJQR-BFHYXJOUSA-N 1 3 248.374 1.251 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261591081 135232279 /nfs/dbraw/zinc/23/22/79/135232279.db2.gz UYGCTBQJFWYTSU-FVCCEPFGSA-N 1 3 226.364 1.519 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000261593584 135234042 /nfs/dbraw/zinc/23/40/42/135234042.db2.gz WYHCBKHEUUYBEP-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(N)c1 ZINC000261750047 135249663 /nfs/dbraw/zinc/24/96/63/135249663.db2.gz WICLNBOLCDEIEH-CMPLNLGQSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1Cc1cccc(N)c1 ZINC000261750047 135249664 /nfs/dbraw/zinc/24/96/64/135249664.db2.gz WICLNBOLCDEIEH-CMPLNLGQSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1Cc1cccc(N)c1 ZINC000261750047 135249665 /nfs/dbraw/zinc/24/96/65/135249665.db2.gz WICLNBOLCDEIEH-CMPLNLGQSA-N 1 3 219.332 1.438 20 0 BDADHO COCC1(C)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261780313 135252209 /nfs/dbraw/zinc/25/22/09/135252209.db2.gz FKBLDMPNCODLEF-CYBMUJFWSA-N 1 3 240.391 1.735 20 0 BDADHO COCC1(C)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000261780313 135252210 /nfs/dbraw/zinc/25/22/10/135252210.db2.gz FKBLDMPNCODLEF-CYBMUJFWSA-N 1 3 240.391 1.735 20 0 BDADHO CC[N@H+](CC[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261782113 135253024 /nfs/dbraw/zinc/25/30/24/135253024.db2.gz FLQVKWLWDABNJI-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](CC[C@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261782113 135253026 /nfs/dbraw/zinc/25/30/26/135253026.db2.gz FLQVKWLWDABNJI-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000261904644 135261672 /nfs/dbraw/zinc/26/16/72/135261672.db2.gz ZVWINHREIWMXIF-LLVKDONJSA-N 1 3 249.358 1.732 20 0 BDADHO c1cn(C[C@H]2CCCN2C[C@H]2CCC[NH2+]C2)cn1 ZINC000261932043 135264322 /nfs/dbraw/zinc/26/43/22/135264322.db2.gz LREIKDXLGGILBN-UONOGXRCSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@H]2CCC[N@@H+]2C[C@H]2CCCNC2)cn1 ZINC000261932043 135264324 /nfs/dbraw/zinc/26/43/24/135264324.db2.gz LREIKDXLGGILBN-UONOGXRCSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@H]2CCC[N@H+]2C[C@H]2CCCNC2)cn1 ZINC000261932043 135264325 /nfs/dbraw/zinc/26/43/25/135264325.db2.gz LREIKDXLGGILBN-UONOGXRCSA-N 1 3 248.374 1.347 20 0 BDADHO COC(=O)C(C)(C)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261975084 135269074 /nfs/dbraw/zinc/26/90/74/135269074.db2.gz QQXZKNKRAPZIBB-WDEREUQCSA-N 1 3 242.363 1.245 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOCC(F)F)C[C@H]21 ZINC000262116246 135279975 /nfs/dbraw/zinc/27/99/75/135279975.db2.gz LHPZRZHIOOWVGK-GMTAPVOTSA-N 1 3 248.317 1.327 20 0 BDADHO C([C@@H]1CCC[NH2+]C1)N1CCN(C2CCC2)CC1 ZINC000262283707 135289610 /nfs/dbraw/zinc/28/96/10/135289610.db2.gz VDNVXTMSPKNRFJ-CYBMUJFWSA-N 1 3 237.391 1.156 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342716759 135313778 /nfs/dbraw/zinc/31/37/78/135313778.db2.gz DRGSKJLDWWIFMA-YPMHNXCESA-N 1 3 241.379 1.010 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000263258725 135343051 /nfs/dbraw/zinc/34/30/51/135343051.db2.gz QQWMPPBTGVMFSI-XJFOESAGSA-N 1 3 238.375 1.125 20 0 BDADHO Cc1cc(C)cc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000335624254 135418040 /nfs/dbraw/zinc/41/80/40/135418040.db2.gz AHOVYOMSOQMEBI-UHFFFAOYSA-N 1 3 248.370 1.589 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1C[C@H]1C(F)F ZINC000348152231 136039750 /nfs/dbraw/zinc/03/97/50/136039750.db2.gz BJZBRVIRAMHDRS-IMSYWVGJSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1C[C@H]1C(F)F ZINC000348152231 136039751 /nfs/dbraw/zinc/03/97/51/136039751.db2.gz BJZBRVIRAMHDRS-IMSYWVGJSA-N 1 3 218.291 1.570 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H]2C(F)F)[C@@H](C)C1 ZINC000348185651 136044637 /nfs/dbraw/zinc/04/46/37/136044637.db2.gz QGSOOUUZVCNUDB-ZRUFSTJUSA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]2C(F)F)[C@@H](C)C1 ZINC000348185651 136044638 /nfs/dbraw/zinc/04/46/38/136044638.db2.gz QGSOOUUZVCNUDB-ZRUFSTJUSA-N 1 3 232.318 1.960 20 0 BDADHO Nc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000647542576 397783588 /nfs/dbraw/zinc/78/35/88/397783588.db2.gz OUARVFYDIHMEIH-UHFFFAOYSA-N 1 3 246.358 1.070 20 0 BDADHO COCC[C@H](C)[NH2+]CCCN(C)CC(C)C ZINC000650130472 397938306 /nfs/dbraw/zinc/93/83/06/397938306.db2.gz WWJZTXJOLZVYER-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO COCC[C@H](C)NCCC[N@H+](C)CC(C)C ZINC000650130472 397938310 /nfs/dbraw/zinc/93/83/10/397938310.db2.gz WWJZTXJOLZVYER-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO COCC[C@H](C)NCCC[N@@H+](C)CC(C)C ZINC000650130472 397938314 /nfs/dbraw/zinc/93/83/14/397938314.db2.gz WWJZTXJOLZVYER-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO COCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000164643688 398000358 /nfs/dbraw/zinc/00/03/58/398000358.db2.gz JRZHALIPDXOQHE-NEPJUHHUSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000164643688 398000361 /nfs/dbraw/zinc/00/03/61/398000361.db2.gz JRZHALIPDXOQHE-NEPJUHHUSA-N 1 3 214.353 1.330 20 0 BDADHO COCCCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164643688 398000362 /nfs/dbraw/zinc/00/03/62/398000362.db2.gz JRZHALIPDXOQHE-NEPJUHHUSA-N 1 3 214.353 1.330 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763679 398028012 /nfs/dbraw/zinc/02/80/12/398028012.db2.gz NFLYSROMDVKDLP-RQJABVFESA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000086495019 398055299 /nfs/dbraw/zinc/05/52/99/398055299.db2.gz XSGQKRSWJLWIOO-UTUOFQBUSA-N 1 3 212.337 1.286 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CNC[C@H]1CCCOC1 ZINC000414923802 398099979 /nfs/dbraw/zinc/09/99/79/398099979.db2.gz GBJPJNBROVCTOY-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1noc(C)c1CNCCCC[NH+](C)C ZINC000070125565 398126480 /nfs/dbraw/zinc/12/64/80/398126480.db2.gz QBNLGXCFIUTUEP-UHFFFAOYSA-N 1 3 225.336 1.723 20 0 BDADHO CC(C)OCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163668941 167238043 /nfs/dbraw/zinc/23/80/43/167238043.db2.gz ZGCLQYZWMKLWDW-XQQFMLRXSA-N 1 3 226.364 1.471 20 0 BDADHO CC(C)OC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000309583953 167255658 /nfs/dbraw/zinc/25/56/58/167255658.db2.gz RFEQUBJLDLHRQJ-GFCCVEGCSA-N 1 3 226.364 1.651 20 0 BDADHO CO[C@H](CN1CCC([NH3+])CC1)C1CCC1 ZINC000662241908 409529040 /nfs/dbraw/zinc/52/90/40/409529040.db2.gz YMMGXHHIPRCFHL-GFCCVEGCSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255578 409550682 /nfs/dbraw/zinc/55/06/82/409550682.db2.gz FCNKCJWNJKJXFH-WOPDTQHZSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255578 409550691 /nfs/dbraw/zinc/55/06/91/409550691.db2.gz FCNKCJWNJKJXFH-WOPDTQHZSA-N 1 3 224.348 1.238 20 0 BDADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H](C)C(C)C ZINC000662255356 409551356 /nfs/dbraw/zinc/55/13/56/409551356.db2.gz YCKLKMIIRRFKMF-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H](C)C(C)C ZINC000662255356 409551364 /nfs/dbraw/zinc/55/13/64/409551364.db2.gz YCKLKMIIRRFKMF-CHWSQXEVSA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@H]1CN(CCCC2CCC2)C[C@H]1C[NH3+] ZINC000662283543 409615469 /nfs/dbraw/zinc/61/54/69/409615469.db2.gz AAGRGGADRUPHRS-ZIAGYGMSSA-N 1 3 240.391 1.862 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@@H]1CC1(C)C ZINC000662344743 409657806 /nfs/dbraw/zinc/65/78/06/409657806.db2.gz SEGIGUAZJDSJQB-RYUDHWBXSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CC1(C)C ZINC000662344743 409657810 /nfs/dbraw/zinc/65/78/10/409657810.db2.gz SEGIGUAZJDSJQB-RYUDHWBXSA-N 1 3 228.380 1.277 20 0 BDADHO COCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251254630 409792150 /nfs/dbraw/zinc/79/21/50/409792150.db2.gz VAHAWEQVYJWPDO-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251254630 409792159 /nfs/dbraw/zinc/79/21/59/409792159.db2.gz VAHAWEQVYJWPDO-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251254630 409792170 /nfs/dbraw/zinc/79/21/70/409792170.db2.gz VAHAWEQVYJWPDO-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC2(CCC2)CC1 ZINC000308731116 409902327 /nfs/dbraw/zinc/90/23/27/409902327.db2.gz TUCZSFUACBWLMN-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC2(CCC2)CC1 ZINC000308731116 409902332 /nfs/dbraw/zinc/90/23/32/409902332.db2.gz TUCZSFUACBWLMN-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@H+](CCCNC(=O)CN)C1CCCCC1 ZINC000653200743 410161865 /nfs/dbraw/zinc/16/18/65/410161865.db2.gz OKIDXFDLOAMLFN-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CC[N@@H+](CCCNC(=O)CN)C1CCCCC1 ZINC000653200743 410161871 /nfs/dbraw/zinc/16/18/71/410161871.db2.gz OKIDXFDLOAMLFN-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc2c1CCC2 ZINC000650703659 410332596 /nfs/dbraw/zinc/33/25/96/410332596.db2.gz KSDKEBJLLMJHHH-LLVKDONJSA-N 1 3 218.344 1.860 20 0 BDADHO [NH3+]CC1(CCNCc2nccs2)CC1 ZINC000650712835 410344892 /nfs/dbraw/zinc/34/48/92/410344892.db2.gz WVUMRCCAHJNULJ-UHFFFAOYSA-N 1 3 211.334 1.362 20 0 BDADHO C[C@@]1(CN[C@@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714986 410348347 /nfs/dbraw/zinc/34/83/47/410348347.db2.gz KLGBGXKZIMYQKT-DZGCQCFKSA-N 1 3 245.370 1.612 20 0 BDADHO COC[C@H](C)CNCc1ccc(C[NH3+])cc1F ZINC000650716817 410350777 /nfs/dbraw/zinc/35/07/77/410350777.db2.gz KIGPFIQUVLOKKF-SNVBAGLBSA-N 1 3 240.322 1.657 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@@H]1CCO[C@H]1C ZINC000650719471 410357680 /nfs/dbraw/zinc/35/76/80/410357680.db2.gz RCAYVAWJYSVVSB-SMDDNHRTSA-N 1 3 234.343 1.673 20 0 BDADHO CN(CCN1CCCCC1)CC(C)(C)[NH3+] ZINC000650724468 410360658 /nfs/dbraw/zinc/36/06/58/410360658.db2.gz GTKRYGRFFCLKAF-UHFFFAOYSA-N 1 3 213.369 1.141 20 0 BDADHO CC(C)C[C@H]([NH3+])CN(C)CCN1CCCCC1 ZINC000650724647 410361169 /nfs/dbraw/zinc/36/11/69/410361169.db2.gz JZQQBOKXKGIJEJ-AWEZNQCLSA-N 1 3 241.423 1.778 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1cnccn1 ZINC000650744027 410380325 /nfs/dbraw/zinc/38/03/25/410380325.db2.gz DRJDAKPECRYXSJ-JTQLQIEISA-N 1 3 220.320 1.256 20 0 BDADHO [NH3+]CC1(CCN[C@@H]2CCn3ccnc32)CC1 ZINC000650746517 410385130 /nfs/dbraw/zinc/38/51/30/410385130.db2.gz DUPVJNQWZIZGED-SNVBAGLBSA-N 1 3 220.320 1.047 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CNc2ccccc2C1 ZINC000650748124 410387595 /nfs/dbraw/zinc/38/75/95/410387595.db2.gz NMWYUQGGODIFNW-YDHLFZDLSA-N 1 3 245.370 1.740 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650748124 410387602 /nfs/dbraw/zinc/38/76/02/410387602.db2.gz NMWYUQGGODIFNW-YDHLFZDLSA-N 1 3 245.370 1.740 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650753681 410396970 /nfs/dbraw/zinc/39/69/70/410396970.db2.gz SRNYWFOGZDQIEU-ZJUUUORDSA-N 1 3 240.322 1.797 20 0 BDADHO C[C@H](NCCC1CC[NH2+]CC1)c1ccncn1 ZINC000650761725 410408864 /nfs/dbraw/zinc/40/88/64/410408864.db2.gz IPNJRLJAIDCCQH-NSHDSACASA-N 1 3 234.347 1.517 20 0 BDADHO Cc1nccnc1[C@H](C)NCCC1CC[NH2+]CC1 ZINC000650763059 410412258 /nfs/dbraw/zinc/41/22/58/410412258.db2.gz PRDXURXSULLYPY-NSHDSACASA-N 1 3 248.374 1.825 20 0 BDADHO C[C@@H](NCCC1CC[NH2+]CC1)c1cnccn1 ZINC000650764024 410414414 /nfs/dbraw/zinc/41/44/14/410414414.db2.gz OOQLIIJDQHWEQD-LLVKDONJSA-N 1 3 234.347 1.517 20 0 BDADHO CO[C@@H](C[NH2+]CCCN1CCCC1)C1CC1 ZINC000393494068 410703866 /nfs/dbraw/zinc/70/38/66/410703866.db2.gz QXHHIVFMBPIUST-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@@H](CNCCC[NH+]1CCCC1)C1CC1 ZINC000393494068 410703868 /nfs/dbraw/zinc/70/38/68/410703868.db2.gz QXHHIVFMBPIUST-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)[C@@H](C)O1 ZINC000395042846 410833985 /nfs/dbraw/zinc/83/39/85/410833985.db2.gz JVSJPWKAAJOYTP-WYUUTHIRSA-N 1 3 212.337 1.284 20 0 BDADHO CC(C)[NH2+]CCN[C@H]1CCCC12CCOCC2 ZINC000370305011 167107483 /nfs/dbraw/zinc/10/74/83/167107483.db2.gz FDSCSMXWPKVECB-ZDUSSCGKSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128289908 167380104 /nfs/dbraw/zinc/38/01/04/167380104.db2.gz LKNBBQOHTSMJFG-CQSZACIVSA-N 1 3 241.423 1.648 20 0 BDADHO COCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000106878769 411130324 /nfs/dbraw/zinc/13/03/24/411130324.db2.gz NEKGNHLXZRQBHA-SNVBAGLBSA-N 1 3 200.326 1.095 20 0 BDADHO COCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000106878769 411130326 /nfs/dbraw/zinc/13/03/26/411130326.db2.gz NEKGNHLXZRQBHA-SNVBAGLBSA-N 1 3 200.326 1.095 20 0 BDADHO CC(C)CN(C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000651865627 411148210 /nfs/dbraw/zinc/14/82/10/411148210.db2.gz BDBKUNSCQVWTCB-AWEZNQCLSA-N 1 3 242.407 1.981 20 0 BDADHO c1csc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401060195 411175654 /nfs/dbraw/zinc/17/56/54/411175654.db2.gz JIFGBLWCECUOFH-GARJFASQSA-N 1 3 237.372 1.621 20 0 BDADHO CN(CCC[NH3+])C(=O)C[C@H]1NCc2ccccc21 ZINC000659290167 411183029 /nfs/dbraw/zinc/18/30/29/411183029.db2.gz JDKCMYNXTIZHDP-CYBMUJFWSA-N 1 3 247.342 1.028 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CNc3ccccc3C2)C1 ZINC000656193776 411199354 /nfs/dbraw/zinc/19/93/54/411199354.db2.gz RPZLELKLJOKLEP-HZSPNIEDSA-N 1 3 245.370 1.883 20 0 BDADHO C[C@H](Cc1ccccn1)NC1CC[NH2+]CC1 ZINC000656193609 411199357 /nfs/dbraw/zinc/19/93/57/411199357.db2.gz OUVIEAVIYXZDTM-LLVKDONJSA-N 1 3 219.332 1.354 20 0 BDADHO C[C@H](Cc1ccccn1)[NH2+]C1CCNCC1 ZINC000656193609 411199358 /nfs/dbraw/zinc/19/93/58/411199358.db2.gz OUVIEAVIYXZDTM-LLVKDONJSA-N 1 3 219.332 1.354 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]2CN)c(C)c1 ZINC000656199751 411204091 /nfs/dbraw/zinc/20/40/91/411204091.db2.gz BXSVYDYFZNUCHT-HIFRSBDPSA-N 1 3 247.386 1.958 20 0 BDADHO Cc1cnc(CCN[C@H]2CCC[C@@H]2C[NH3+])c(C)c1 ZINC000656199751 411204095 /nfs/dbraw/zinc/20/40/95/411204095.db2.gz BXSVYDYFZNUCHT-HIFRSBDPSA-N 1 3 247.386 1.958 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656199857 411204612 /nfs/dbraw/zinc/20/46/12/411204612.db2.gz AJUDAMUXWWYKJY-KXNHARMFSA-N 1 3 212.337 1.413 20 0 BDADHO COC[C@H](CC(C)(C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000656202159 411206418 /nfs/dbraw/zinc/20/64/18/411206418.db2.gz ZEHQTELIFROALT-JQWIXIFHSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CC(C)(C)C)[NH2+][C@@H](C)C1CNC1 ZINC000656202159 411206419 /nfs/dbraw/zinc/20/64/19/411206419.db2.gz ZEHQTELIFROALT-JQWIXIFHSA-N 1 3 228.380 1.635 20 0 BDADHO C[C@@H]1CCCN(CCOCC2CC2)[C@H]1CC[NH3+] ZINC000652355106 411215227 /nfs/dbraw/zinc/21/52/27/411215227.db2.gz PKAQYEDWQSTPDZ-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]1CCCN(CCOCC2CC2)[C@H]1CC[NH3+] ZINC000652355105 411215471 /nfs/dbraw/zinc/21/54/71/411215471.db2.gz PKAQYEDWQSTPDZ-JSGCOSHPSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCC[C@H]1N ZINC000422903575 411234745 /nfs/dbraw/zinc/23/47/45/411234745.db2.gz FRQDHOBUBHHWKU-TUAOUCFPSA-N 1 3 213.369 1.186 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422905643 411235497 /nfs/dbraw/zinc/23/54/97/411235497.db2.gz IMSZIKSIPWEXAY-DGCLKSJQSA-N 1 3 225.380 1.058 20 0 BDADHO CCC[C@@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467622 411279675 /nfs/dbraw/zinc/27/96/75/411279675.db2.gz PWYUXIWFKPPZFG-NXEZZACHSA-N 1 3 223.324 1.003 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+]Cc1cccc(N)c1 ZINC000656785096 411354757 /nfs/dbraw/zinc/35/47/57/411354757.db2.gz LHEKWYVZIJEZMY-CYBMUJFWSA-N 1 3 221.348 1.732 20 0 BDADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784146 411361579 /nfs/dbraw/zinc/36/15/79/411361579.db2.gz YZSQHANTOIHJDR-QWHCGFSZSA-N 1 3 233.359 1.917 20 0 BDADHO COC(=O)CCCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123476470 411367959 /nfs/dbraw/zinc/36/79/59/411367959.db2.gz SOWHDSMDMCUKSM-RYUDHWBXSA-N 1 3 242.363 1.354 20 0 BDADHO COC(=O)CCCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123476470 411367962 /nfs/dbraw/zinc/36/79/62/411367962.db2.gz SOWHDSMDMCUKSM-RYUDHWBXSA-N 1 3 242.363 1.354 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330362 411338108 /nfs/dbraw/zinc/33/81/08/411338108.db2.gz CXUQZWGXELNXBP-RVMXOQNASA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330362 411338111 /nfs/dbraw/zinc/33/81/11/411338111.db2.gz CXUQZWGXELNXBP-RVMXOQNASA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000063195724 411348047 /nfs/dbraw/zinc/34/80/47/411348047.db2.gz IGJHLVAFQFHWMU-RWMBFGLXSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@H](N)[C@H]1CCCC[N@H+]1C[C@@H]1CCCCO1 ZINC000063195724 411348049 /nfs/dbraw/zinc/34/80/49/411348049.db2.gz IGJHLVAFQFHWMU-RWMBFGLXSA-N 1 3 226.364 1.757 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404491665 411399610 /nfs/dbraw/zinc/39/96/10/411399610.db2.gz BGEWAIGNIFYKKZ-JHJVBQTASA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404491665 411399612 /nfs/dbraw/zinc/39/96/12/411399612.db2.gz BGEWAIGNIFYKKZ-JHJVBQTASA-N 1 3 228.380 1.718 20 0 BDADHO NCc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653043424 411401429 /nfs/dbraw/zinc/40/14/29/411401429.db2.gz VWIPNXATAIUGSZ-GFCCVEGCSA-N 1 3 247.342 1.474 20 0 BDADHO CC(C)O[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000404625105 411402872 /nfs/dbraw/zinc/40/28/72/411402872.db2.gz CDXAXNSWQYPPMP-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(CO)CC1 ZINC000122356957 411430522 /nfs/dbraw/zinc/43/05/22/411430522.db2.gz HPUCVGGNSLVZEG-OLZOCXBDSA-N 1 3 240.391 1.659 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1CN ZINC000405533067 411433797 /nfs/dbraw/zinc/43/37/97/411433797.db2.gz NOAZLWRCHFLZGE-MGPQQGTHSA-N 1 3 242.407 1.964 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1CN ZINC000405533067 411433800 /nfs/dbraw/zinc/43/38/00/411433800.db2.gz NOAZLWRCHFLZGE-MGPQQGTHSA-N 1 3 242.407 1.964 20 0 BDADHO CC(C)n1ccnc1CNCCCC[NH+](C)C ZINC000657334484 411463825 /nfs/dbraw/zinc/46/38/25/411463825.db2.gz BQSUUPRZGXBITQ-UHFFFAOYSA-N 1 3 238.379 1.895 20 0 BDADHO CC(C)(CCN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000405972851 411448561 /nfs/dbraw/zinc/44/85/61/411448561.db2.gz VVFHRZRCNCRECG-TXEJJXNPSA-N 1 3 222.376 1.964 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](C(C)C)C2)CO1 ZINC000657334987 411471947 /nfs/dbraw/zinc/47/19/47/411471947.db2.gz JDZPFCJIZNZQTQ-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](C(C)C)C2)CO1 ZINC000657334987 411471950 /nfs/dbraw/zinc/47/19/50/411471950.db2.gz JDZPFCJIZNZQTQ-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(C(C)C)C2)CO1 ZINC000657334987 411471952 /nfs/dbraw/zinc/47/19/52/411471952.db2.gz JDZPFCJIZNZQTQ-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C)CCO1 ZINC000414944455 411472783 /nfs/dbraw/zinc/47/27/83/411472783.db2.gz PTNQNYGHCJSZAU-SYQHCUMBSA-N 1 3 240.391 1.778 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414978533 411478321 /nfs/dbraw/zinc/47/83/21/411478321.db2.gz MGXCAAKIUWFZAB-GFCCVEGCSA-N 1 3 245.330 1.094 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989133 411521512 /nfs/dbraw/zinc/52/15/12/411521512.db2.gz CLRYRCGZAIGBMW-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@@H]2COC(C)(C)C2)C1 ZINC000659989133 411521514 /nfs/dbraw/zinc/52/15/14/411521514.db2.gz CLRYRCGZAIGBMW-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOCC2CC2)[C@@H](C)C1 ZINC000358078094 170012080 /nfs/dbraw/zinc/01/20/80/170012080.db2.gz DKAOYPZVBUKNAP-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOCC2CC2)[C@@H](C)C1 ZINC000358078094 170012083 /nfs/dbraw/zinc/01/20/83/170012083.db2.gz DKAOYPZVBUKNAP-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000319508463 170015332 /nfs/dbraw/zinc/01/53/32/170015332.db2.gz XGCGZMJGKOGPLT-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000360416466 170017373 /nfs/dbraw/zinc/01/73/73/170017373.db2.gz IFGADPOCTBRJGY-MGPQQGTHSA-N 1 3 239.407 1.258 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484180 170017385 /nfs/dbraw/zinc/01/73/85/170017385.db2.gz FYNYSHHEZMSPSP-GHMZBOCLSA-N 1 3 214.378 1.423 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCCO)C[C@@H]1C ZINC000336650805 170018521 /nfs/dbraw/zinc/01/85/21/170018521.db2.gz TVUZJAMTSLRBLA-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCCO)C[C@@H]1C ZINC000336650805 170018523 /nfs/dbraw/zinc/01/85/23/170018523.db2.gz TVUZJAMTSLRBLA-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(CO)CC1 ZINC000657606977 411561408 /nfs/dbraw/zinc/56/14/08/411561408.db2.gz FPXYLLNTIZDKCN-XQQFMLRXSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(CO)CC1 ZINC000657606977 411561409 /nfs/dbraw/zinc/56/14/09/411561409.db2.gz FPXYLLNTIZDKCN-XQQFMLRXSA-N 1 3 238.375 1.364 20 0 BDADHO CCOC1CC([NH2+]CC2=CCN(C)CC2)C1 ZINC000336779406 170327862 /nfs/dbraw/zinc/32/78/62/170327862.db2.gz OEJROMOMEBESHI-UHFFFAOYSA-N 1 3 224.348 1.405 20 0 BDADHO CCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000063195297 170398388 /nfs/dbraw/zinc/39/83/88/170398388.db2.gz PPAFFHSLSCRNGJ-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000063195297 170398389 /nfs/dbraw/zinc/39/83/89/170398389.db2.gz PPAFFHSLSCRNGJ-GHMZBOCLSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H](O)CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660815 411613713 /nfs/dbraw/zinc/61/37/13/411613713.db2.gz AWGCXOMRKVMIFN-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](O)CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660815 411613714 /nfs/dbraw/zinc/61/37/14/411613714.db2.gz AWGCXOMRKVMIFN-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[NH2+]C[C@@H](C)NC1CCN(c2ccccn2)CC1 ZINC000663509826 411693458 /nfs/dbraw/zinc/69/34/58/411693458.db2.gz MMTPLFVYSCFFFT-GFCCVEGCSA-N 1 3 248.374 1.248 20 0 BDADHO CNC[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000663509826 411693463 /nfs/dbraw/zinc/69/34/63/411693463.db2.gz MMTPLFVYSCFFFT-GFCCVEGCSA-N 1 3 248.374 1.248 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(c3nccc4[nH]ccc43)C[C@@H]21 ZINC000663972103 411797041 /nfs/dbraw/zinc/79/70/41/411797041.db2.gz FZVKTURQCZLSQG-MFKMUULPSA-N 1 3 242.326 1.703 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(c3nccc4[nH]ccc43)C[C@@H]21 ZINC000663972103 411797044 /nfs/dbraw/zinc/79/70/44/411797044.db2.gz FZVKTURQCZLSQG-MFKMUULPSA-N 1 3 242.326 1.703 20 0 BDADHO CCC[C@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151734 412009426 /nfs/dbraw/zinc/00/94/26/412009426.db2.gz JWZXLWYWXYJAMT-JSGCOSHPSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[C@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151734 412009429 /nfs/dbraw/zinc/00/94/29/412009429.db2.gz JWZXLWYWXYJAMT-JSGCOSHPSA-N 1 3 240.391 1.706 20 0 BDADHO CO[C@H](C[N@@H+]1CCCNCC1)C1CCC1 ZINC000662234071 412032233 /nfs/dbraw/zinc/03/22/33/412032233.db2.gz BISKEVJUVMBUDP-GFCCVEGCSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@H](C[N@H+]1CCCNCC1)C1CCC1 ZINC000662234071 412032236 /nfs/dbraw/zinc/03/22/36/412032236.db2.gz BISKEVJUVMBUDP-GFCCVEGCSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@H](CN(C)CCC[NH3+])C1CCCCC1 ZINC000662244669 412041094 /nfs/dbraw/zinc/04/10/94/412041094.db2.gz JLSLXQBZIGFICQ-CYBMUJFWSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H]([NH3+])C1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000662247572 412044702 /nfs/dbraw/zinc/04/47/02/412044702.db2.gz XUSOMAKGOMLCSS-MWLCHTKSSA-N 1 3 248.317 1.470 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249938 412046388 /nfs/dbraw/zinc/04/63/88/412046388.db2.gz VSCRIIWQYKSUEZ-XQQFMLRXSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249938 412046389 /nfs/dbraw/zinc/04/63/89/412046389.db2.gz VSCRIIWQYKSUEZ-XQQFMLRXSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1CN(C[C@@H](OC)C2CCC2)CC[C@@H]1[NH3+] ZINC000662270437 412060084 /nfs/dbraw/zinc/06/00/84/412060084.db2.gz KTWIITSETNQHAL-KWCYVHTRSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249401 412047717 /nfs/dbraw/zinc/04/77/17/412047717.db2.gz MDJWWBMLZNMSSF-RYUDHWBXSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249401 412047718 /nfs/dbraw/zinc/04/77/18/412047718.db2.gz MDJWWBMLZNMSSF-RYUDHWBXSA-N 1 3 224.348 1.382 20 0 BDADHO CC1(C)CCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662252117 412048887 /nfs/dbraw/zinc/04/88/87/412048887.db2.gz JYQRNTLEFCSDEU-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO CC1(C)CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662252117 412048888 /nfs/dbraw/zinc/04/88/88/412048888.db2.gz JYQRNTLEFCSDEU-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO CCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662253768 412048928 /nfs/dbraw/zinc/04/89/28/412048928.db2.gz WKOGKBXIGXSZJD-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO OCCN(Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000662251050 412049322 /nfs/dbraw/zinc/04/93/22/412049322.db2.gz WWERGKIYLHHLCK-UHFFFAOYSA-N 1 3 246.354 1.289 20 0 BDADHO CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662252873 412049724 /nfs/dbraw/zinc/04/97/24/412049724.db2.gz QTIWYRXRCXMLDM-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662252873 412049726 /nfs/dbraw/zinc/04/97/26/412049726.db2.gz QTIWYRXRCXMLDM-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)[C@@H](C)[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252121 412050120 /nfs/dbraw/zinc/05/01/20/412050120.db2.gz MDHUSJSEGYTEJB-VXGBXAGGSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662252121 412050122 /nfs/dbraw/zinc/05/01/22/412050122.db2.gz MDHUSJSEGYTEJB-VXGBXAGGSA-N 1 3 226.364 1.484 20 0 BDADHO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256603 412051943 /nfs/dbraw/zinc/05/19/43/412051943.db2.gz WSXCCYYUKDPVSW-YNEHKIRRSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256603 412051945 /nfs/dbraw/zinc/05/19/45/412051945.db2.gz WSXCCYYUKDPVSW-YNEHKIRRSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662255477 412051998 /nfs/dbraw/zinc/05/19/98/412051998.db2.gz PTTWEOACDYWJSY-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662255477 412052000 /nfs/dbraw/zinc/05/20/00/412052000.db2.gz PTTWEOACDYWJSY-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H](C)C[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258861 412054021 /nfs/dbraw/zinc/05/40/21/412054021.db2.gz MWMPVPJOELXIFE-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](C)C[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662258861 412054023 /nfs/dbraw/zinc/05/40/23/412054023.db2.gz MWMPVPJOELXIFE-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@]1(C)CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258699 412054362 /nfs/dbraw/zinc/05/43/62/412054362.db2.gz ZCDBKUDNOPYZGB-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@]1(C)CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258699 412054366 /nfs/dbraw/zinc/05/43/66/412054366.db2.gz ZCDBKUDNOPYZGB-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CO[C@@H](C)CN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919121 171110365 /nfs/dbraw/zinc/11/03/65/171110365.db2.gz YLBKTLOYNUDGFU-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CC1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662280439 412071065 /nfs/dbraw/zinc/07/10/65/412071065.db2.gz DNAWVCROTLGIQO-RYUDHWBXSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1CC[N@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281919 412072559 /nfs/dbraw/zinc/07/25/59/412072559.db2.gz MMUSJOKOUFVORT-WCQYABFASA-N 1 3 208.349 1.869 20 0 BDADHO C[C@H]1CC[N@@H+](CC2CC=CC2)C[C@H]1CN ZINC000662281919 412072564 /nfs/dbraw/zinc/07/25/64/412072564.db2.gz MMUSJOKOUFVORT-WCQYABFASA-N 1 3 208.349 1.869 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1)C1CCC1 ZINC000662280832 412073443 /nfs/dbraw/zinc/07/34/43/412073443.db2.gz GECCOVXTEAQBCX-KWCYVHTRSA-N 1 3 240.391 1.718 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H](C)[C@@H](CN)C1)C1CCC1 ZINC000662280832 412073447 /nfs/dbraw/zinc/07/34/47/412073447.db2.gz GECCOVXTEAQBCX-KWCYVHTRSA-N 1 3 240.391 1.718 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000361038481 171308041 /nfs/dbraw/zinc/30/80/41/171308041.db2.gz PDRUZIFOMQHFAQ-HZSPNIEDSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505672 171394133 /nfs/dbraw/zinc/39/41/33/171394133.db2.gz BCPJNVPIQGSBGI-QWRGUYRKSA-N 1 3 243.395 1.064 20 0 BDADHO C[NH2+]CCCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662312532 412094193 /nfs/dbraw/zinc/09/41/93/412094193.db2.gz HQUNDULDBXLKRD-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662312532 412094199 /nfs/dbraw/zinc/09/41/99/412094199.db2.gz HQUNDULDBXLKRD-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000662312532 412094201 /nfs/dbraw/zinc/09/42/01/412094201.db2.gz HQUNDULDBXLKRD-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH2+]CCCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662312534 412094276 /nfs/dbraw/zinc/09/42/76/412094276.db2.gz HQUNDULDBXLKRD-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662312534 412094279 /nfs/dbraw/zinc/09/42/79/412094279.db2.gz HQUNDULDBXLKRD-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000662312534 412094280 /nfs/dbraw/zinc/09/42/80/412094280.db2.gz HQUNDULDBXLKRD-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCN)cn1 ZINC000662310259 412094848 /nfs/dbraw/zinc/09/48/48/412094848.db2.gz IYWKMFFZQFWIFI-STQMWFEESA-N 1 3 236.363 1.070 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCOC2 ZINC000662314206 412096888 /nfs/dbraw/zinc/09/68/88/412096888.db2.gz BPOHKBWWHUCTSY-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665244878 412188544 /nfs/dbraw/zinc/18/85/44/412188544.db2.gz YTTYLMAJYFGYSP-IGQOVBAYSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000665261868 412203725 /nfs/dbraw/zinc/20/37/25/412203725.db2.gz NIPJNDAIYSSCEH-JIMOISOXSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)O1 ZINC000665265107 412209441 /nfs/dbraw/zinc/20/94/41/412209441.db2.gz PHTPUKKFJWYFOA-FDYHWXHSSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC1CCC1 ZINC000665266732 412211133 /nfs/dbraw/zinc/21/11/33/412211133.db2.gz IKGLKMSVBMAEME-FPMFFAJLSA-N 1 3 240.391 1.909 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000665229949 412168922 /nfs/dbraw/zinc/16/89/22/412168922.db2.gz GUNIXHBYHXBVEY-YIOUJQMASA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](C)c1ccccn1 ZINC000665231905 412169526 /nfs/dbraw/zinc/16/95/26/412169526.db2.gz APUVOTJWJCCMNE-SRVKXCTJSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000665231905 412169530 /nfs/dbraw/zinc/16/95/30/412169530.db2.gz APUVOTJWJCCMNE-SRVKXCTJSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](CN[C@@H](C)C[C@H](C)[NH3+])c1ccccn1 ZINC000665231906 412169617 /nfs/dbraw/zinc/16/96/17/412169617.db2.gz APUVOTJWJCCMNE-WOPDTQHZSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C[C@H](C)N)c1ccccn1 ZINC000665231906 412169622 /nfs/dbraw/zinc/16/96/22/412169622.db2.gz APUVOTJWJCCMNE-WOPDTQHZSA-N 1 3 221.348 1.901 20 0 BDADHO Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000665232474 412170142 /nfs/dbraw/zinc/17/01/42/412170142.db2.gz NOISSLRWLYRPEE-RYUDHWBXSA-N 1 3 205.305 1.238 20 0 BDADHO C[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccccn1 ZINC000665232572 412170880 /nfs/dbraw/zinc/17/08/80/412170880.db2.gz PJLXDWGEQWJODR-MNOVXSKESA-N 1 3 219.332 1.383 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)C1CNC1)c1ccccn1 ZINC000665232572 412170885 /nfs/dbraw/zinc/17/08/85/412170885.db2.gz PJLXDWGEQWJODR-MNOVXSKESA-N 1 3 219.332 1.383 20 0 BDADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000665235848 412173880 /nfs/dbraw/zinc/17/38/80/412173880.db2.gz BAMGLMFKXOAZDY-MBYGNEARSA-N 1 3 210.321 1.038 20 0 BDADHO C[C@H](N[C@@H]1CCN(C(C)(C)C)C1)[C@H]1CCC[NH2+]1 ZINC000665235869 412174560 /nfs/dbraw/zinc/17/45/60/412174560.db2.gz BHNAJXZDMXYBRG-YNEHKIRRSA-N 1 3 239.407 1.589 20 0 BDADHO CCCN1CC[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000665274245 412216672 /nfs/dbraw/zinc/21/66/72/412216672.db2.gz MGQZTSFFPDPSFV-IHRRRGAJSA-N 1 3 239.407 1.448 20 0 BDADHO CCCN1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000665274302 412216763 /nfs/dbraw/zinc/21/67/63/412216763.db2.gz NEFRJFHHLQVUGP-BFHYXJOUSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1C(C)(C)C1(F)F ZINC000665274665 412217178 /nfs/dbraw/zinc/21/71/78/412217178.db2.gz VLXFNISJNCAOQS-YIZRAAEISA-N 1 3 220.307 1.993 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2N)C1 ZINC000665274139 412218190 /nfs/dbraw/zinc/21/81/90/412218190.db2.gz KPBKTTHBRUULMV-BFHYXJOUSA-N 1 3 239.407 1.720 20 0 BDADHO CC[C@H](Cn1cncn1)NCC[C@@H]([NH3+])C(C)C ZINC000665281700 412225808 /nfs/dbraw/zinc/22/58/08/412225808.db2.gz JLJKXVBCKFUZSL-VXGBXAGGSA-N 1 3 239.367 1.020 20 0 BDADHO C[C@H](NC1CCC(C[NH3+])CC1)c1nccn1C ZINC000665283347 412228620 /nfs/dbraw/zinc/22/86/20/412228620.db2.gz MISOWYLQNAVVQT-UNXYVOJBSA-N 1 3 236.363 1.588 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H](OC)C1 ZINC000665298484 412245996 /nfs/dbraw/zinc/24/59/96/412245996.db2.gz WWAGENOBAOBNPH-GARJFASQSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662890190 412337584 /nfs/dbraw/zinc/33/75/84/412337584.db2.gz BZUFEBDQMWNHIX-GRYCIOLGSA-N 1 3 241.379 1.090 20 0 BDADHO CCn1c(CNCCCC[NH3+])nc2ccccc21 ZINC000038046869 172145201 /nfs/dbraw/zinc/14/52/01/172145201.db2.gz QEJWYEBFXXEZBE-UHFFFAOYSA-N 1 3 246.358 1.885 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@](C)(O)CC1 ZINC000336543065 173027290 /nfs/dbraw/zinc/02/72/90/173027290.db2.gz FMLQYTZQVRCBPA-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@](C)(O)CC1 ZINC000336543065 173027294 /nfs/dbraw/zinc/02/72/94/173027294.db2.gz FMLQYTZQVRCBPA-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN(CCO)CC1CC1 ZINC000336702086 173027641 /nfs/dbraw/zinc/02/76/41/173027641.db2.gz MZJKKHFUTTVGAQ-CYBMUJFWSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN(CCO)CC1CC1 ZINC000336702086 173027643 /nfs/dbraw/zinc/02/76/43/173027643.db2.gz MZJKKHFUTTVGAQ-CYBMUJFWSA-N 1 3 226.364 1.175 20 0 BDADHO Cn1cc(C[NH2+][C@H]2CCN(C)[C@@H]3CCC[C@@H]32)cn1 ZINC000353401918 173154216 /nfs/dbraw/zinc/15/42/16/173154216.db2.gz IYQCVPNVWZMWSP-HZSPNIEDSA-N 1 3 248.374 1.383 20 0 BDADHO C[NH2+]CCCN(C[C@H](C)OC)C(C)C ZINC000336741689 173347389 /nfs/dbraw/zinc/34/73/89/173347389.db2.gz WABYANFHMUJVSA-NSHDSACASA-N 1 3 202.342 1.341 20 0 BDADHO CNCCC[N@H+](C[C@H](C)OC)C(C)C ZINC000336741689 173347390 /nfs/dbraw/zinc/34/73/90/173347390.db2.gz WABYANFHMUJVSA-NSHDSACASA-N 1 3 202.342 1.341 20 0 BDADHO CNCCC[N@@H+](C[C@H](C)OC)C(C)C ZINC000336741689 173347391 /nfs/dbraw/zinc/34/73/91/173347391.db2.gz WABYANFHMUJVSA-NSHDSACASA-N 1 3 202.342 1.341 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000224609034 173378872 /nfs/dbraw/zinc/37/88/72/173378872.db2.gz KKEHBGARZMRBAL-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609034 173378874 /nfs/dbraw/zinc/37/88/74/173378874.db2.gz KKEHBGARZMRBAL-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609034 173378876 /nfs/dbraw/zinc/37/88/76/173378876.db2.gz KKEHBGARZMRBAL-NEPJUHHUSA-N 1 3 228.405 1.671 20 0 BDADHO CNCc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000296407538 173389672 /nfs/dbraw/zinc/38/96/72/173389672.db2.gz LXSMNLUDUHTZPC-SNVBAGLBSA-N 1 3 235.331 1.472 20 0 BDADHO COC1(C[NH2+]CC2=CCN(C)CC2)CCCC1 ZINC000319647570 174001487 /nfs/dbraw/zinc/00/14/87/174001487.db2.gz PIOFDCJSAGUVLV-UHFFFAOYSA-N 1 3 238.375 1.797 20 0 BDADHO COCC(C)(C)NC[C@H]1CCC[NH2+]C1 ZINC000125341055 174082365 /nfs/dbraw/zinc/08/23/65/174082365.db2.gz DBXILWWWLNXTKZ-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO COCC(C)(C)[NH2+]C[C@H]1CCCNC1 ZINC000125341055 174082368 /nfs/dbraw/zinc/08/23/68/174082368.db2.gz DBXILWWWLNXTKZ-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO COCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000069633084 174121126 /nfs/dbraw/zinc/12/11/26/174121126.db2.gz FYRSJVSDJMLABK-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000234892710 174155865 /nfs/dbraw/zinc/15/58/65/174155865.db2.gz FKKMHQICUYODFP-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO COCC[N@H+](CC(C)C)C[C@@H]1CCCNC1 ZINC000042370818 174287300 /nfs/dbraw/zinc/28/73/00/174287300.db2.gz ZBPKUTIGAPABQB-CYBMUJFWSA-N 1 3 228.380 1.590 20 0 BDADHO COCC[N@@H+](CC(C)C)C[C@@H]1CCCNC1 ZINC000042370818 174287303 /nfs/dbraw/zinc/28/73/03/174287303.db2.gz ZBPKUTIGAPABQB-CYBMUJFWSA-N 1 3 228.380 1.590 20 0 BDADHO COCCN(CC(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000042370818 174287304 /nfs/dbraw/zinc/28/73/04/174287304.db2.gz ZBPKUTIGAPABQB-CYBMUJFWSA-N 1 3 228.380 1.590 20 0 BDADHO COCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372989644 174306270 /nfs/dbraw/zinc/30/62/70/174306270.db2.gz LMVUKXXVHIGYPR-LLVKDONJSA-N 1 3 200.326 1.049 20 0 BDADHO COCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000372989644 174306271 /nfs/dbraw/zinc/30/62/71/174306271.db2.gz LMVUKXXVHIGYPR-LLVKDONJSA-N 1 3 200.326 1.049 20 0 BDADHO COc1ccc(CCNCC2([NH3+])CCC2)cc1 ZINC000342131815 175091913 /nfs/dbraw/zinc/09/19/13/175091913.db2.gz MJCMCZDVLPZQLB-UHFFFAOYSA-N 1 3 234.343 1.709 20 0 BDADHO COc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000336666085 175177356 /nfs/dbraw/zinc/17/73/56/175177356.db2.gz LNSXJPADLLOVNN-GHMZBOCLSA-N 1 3 222.332 1.941 20 0 BDADHO COc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)CN ZINC000336713168 175334065 /nfs/dbraw/zinc/33/40/65/175334065.db2.gz OFLDRIRUZXMPLC-RYUDHWBXSA-N 1 3 236.359 1.811 20 0 BDADHO COc1ccccc1C[C@H](C)NC[C@@H](C)C[NH3+] ZINC000336713168 175334068 /nfs/dbraw/zinc/33/40/68/175334068.db2.gz OFLDRIRUZXMPLC-RYUDHWBXSA-N 1 3 236.359 1.811 20 0 BDADHO C[C@@H]1CN(CCCCCF)CC[C@@H]1[NH3+] ZINC000336678099 176288418 /nfs/dbraw/zinc/28/84/18/176288418.db2.gz DWBVGVGAMCJXDS-MNOVXSKESA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000044510336 176294311 /nfs/dbraw/zinc/29/43/11/176294311.db2.gz IMXDXAUKJSDLQD-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCN2C)CCCO1 ZINC000336339502 176294878 /nfs/dbraw/zinc/29/48/78/176294878.db2.gz DMCIAUJLENBEFD-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCN2C)CCCO1 ZINC000336339502 176294879 /nfs/dbraw/zinc/29/48/79/176294879.db2.gz DMCIAUJLENBEFD-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000051918902 176294944 /nfs/dbraw/zinc/29/49/44/176294944.db2.gz GWYJDDLMWLDDIN-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000261529555 176300584 /nfs/dbraw/zinc/30/05/84/176300584.db2.gz TWBHURMPEJXOKN-MXWKQRLJSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCSC2)CC[C@@H]1N ZINC000261529555 176300580 /nfs/dbraw/zinc/30/05/80/176300580.db2.gz TWBHURMPEJXOKN-MXWKQRLJSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCSC2)CC[C@@H]1N ZINC000261529555 176300582 /nfs/dbraw/zinc/30/05/82/176300582.db2.gz TWBHURMPEJXOKN-MXWKQRLJSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000305855739 176342118 /nfs/dbraw/zinc/34/21/18/176342118.db2.gz BMZSLFVOERXFKK-RFGFWPKPSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCOCC1)CN(C)C ZINC000308915333 176683127 /nfs/dbraw/zinc/68/31/27/176683127.db2.gz NPXKQSSRVXGRLK-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H]1CCC[N@H+](CCc2cnn(C)c2)[C@@H]1CN ZINC000226422723 177099591 /nfs/dbraw/zinc/09/95/91/177099591.db2.gz KPKNHZKJHLWRBU-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1CCC[N@@H+](CCc2cnn(C)c2)[C@@H]1CN ZINC000226422723 177099593 /nfs/dbraw/zinc/09/95/93/177099593.db2.gz KPKNHZKJHLWRBU-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1cccnc1 ZINC000122338551 177361902 /nfs/dbraw/zinc/36/19/02/177361902.db2.gz WQGMZIPGEJQBKQ-WCQYABFASA-N 1 3 219.332 1.293 20 0 BDADHO C[C@H]1C[C@H](CN2CCC([NH+](C)C)CC2)CCO1 ZINC000334253324 177362622 /nfs/dbraw/zinc/36/26/22/177362622.db2.gz XAYQGZXJXUBRGL-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000328276570 487641951 /nfs/dbraw/zinc/64/19/51/487641951.db2.gz QWUHCPJUENBEAU-IHRRRGAJSA-N 1 3 239.407 1.543 20 0 BDADHO c1ccc2c(c1)CCN(C[C@@H]1CC[NH2+]C1)CC2 ZINC000079572230 487642335 /nfs/dbraw/zinc/64/23/35/487642335.db2.gz DLKLQEREHNLNKQ-CYBMUJFWSA-N 1 3 230.355 1.697 20 0 BDADHO C[C@@H]1CN(CCCc2cncn2C)CC[C@@H]1[NH3+] ZINC000314012845 487656660 /nfs/dbraw/zinc/65/66/60/487656660.db2.gz NVYKCWYPSUMGSX-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H](C[NH2+]CC[C@H]1CCOC1)CN1CCCC1 ZINC000400535321 229239980 /nfs/dbraw/zinc/23/99/80/229239980.db2.gz IXVQWYYSRGGQNG-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CCC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000233043656 487688381 /nfs/dbraw/zinc/68/83/81/487688381.db2.gz AWJGZFNKZCWKPD-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)N(C)C ZINC000088277595 487716510 /nfs/dbraw/zinc/71/65/10/487716510.db2.gz IWRLDQYBDWGJJQ-NEPJUHHUSA-N 1 3 243.395 1.064 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000086935226 487728172 /nfs/dbraw/zinc/72/81/72/487728172.db2.gz XYMOCFXISOBEHS-QJPTWQEYSA-N 1 3 228.405 1.812 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)[NH3+])C1(C)C ZINC000233745552 487739013 /nfs/dbraw/zinc/73/90/13/487739013.db2.gz VUULUWLACQZUCG-OPRDCNLKSA-N 1 3 200.326 1.127 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n[nH]1 ZINC000671748172 487743300 /nfs/dbraw/zinc/74/33/00/487743300.db2.gz JZYJZLUANHRDHB-MCIONIFRSA-N 1 3 248.374 1.681 20 0 BDADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n[nH]1 ZINC000671748172 487743304 /nfs/dbraw/zinc/74/33/04/487743304.db2.gz JZYJZLUANHRDHB-MCIONIFRSA-N 1 3 248.374 1.681 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H](N)c1ccccc1 ZINC000289300137 487747274 /nfs/dbraw/zinc/74/72/74/487747274.db2.gz RZPAKIABZLGOTN-RAIGVLPGSA-N 1 3 247.342 1.025 20 0 BDADHO CC[C@@H]1C[N@H+](CC2CCOCC2)CC[C@H]1N ZINC000251577336 487771038 /nfs/dbraw/zinc/77/10/38/487771038.db2.gz CDUMVBXKIJGCDL-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@H]1N ZINC000251577336 487771040 /nfs/dbraw/zinc/77/10/40/487771040.db2.gz CDUMVBXKIJGCDL-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CNC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000234346245 487803625 /nfs/dbraw/zinc/80/36/25/487803625.db2.gz AEKWCKDOMFMDRR-GHMZBOCLSA-N 1 3 212.337 1.095 20 0 BDADHO C[NH2+]C1CCN(C[C@H]2CCO[C@@H]2C)CC1 ZINC000234346245 487803621 /nfs/dbraw/zinc/80/36/21/487803621.db2.gz AEKWCKDOMFMDRR-GHMZBOCLSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000415088348 487809194 /nfs/dbraw/zinc/80/91/94/487809194.db2.gz UYFCAHAUMCBDIG-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@H]1CCCO1 ZINC000415088348 487809203 /nfs/dbraw/zinc/80/92/03/487809203.db2.gz UYFCAHAUMCBDIG-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@](CO)([NH2+]CCCN)C1CCCCC1 ZINC000414708290 487818625 /nfs/dbraw/zinc/81/86/25/487818625.db2.gz NPJPMKQBUDEOSU-GFCCVEGCSA-N 1 3 214.353 1.256 20 0 BDADHO C[C@H]1CCN(CCC[NH3+])C[C@H]1n1ccnc1 ZINC000414709016 487819347 /nfs/dbraw/zinc/81/93/47/487819347.db2.gz OKPLVPBWFGQAKQ-NWDGAFQWSA-N 1 3 222.336 1.115 20 0 BDADHO COc1ccc2c(c1)CCN(CCC[NH3+])CC2 ZINC000414752549 487821525 /nfs/dbraw/zinc/82/15/25/487821525.db2.gz UPMRKAYEALWDPK-UHFFFAOYSA-N 1 3 234.343 1.445 20 0 BDADHO C[C@H](c1ccncc1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699132 487829626 /nfs/dbraw/zinc/82/96/26/487829626.db2.gz RGLYGXPXPRZNHJ-IJLUTSLNSA-N 1 3 219.332 1.812 20 0 BDADHO C[C@@H](C[NH2+]CCCN)Cc1cccs1 ZINC000415087460 487836348 /nfs/dbraw/zinc/83/63/48/487836348.db2.gz UQGTZKWBXCNRAG-SNVBAGLBSA-N 1 3 212.362 1.865 20 0 BDADHO COc1cc(CC[NH2+]CCCN)ccc1C ZINC000415085960 487836137 /nfs/dbraw/zinc/83/61/37/487836137.db2.gz RJAKCLSHFOEWOD-UHFFFAOYSA-N 1 3 222.332 1.485 20 0 BDADHO COc1cc(CCNCCC[NH3+])ccc1C ZINC000415085960 487836141 /nfs/dbraw/zinc/83/61/41/487836141.db2.gz RJAKCLSHFOEWOD-UHFFFAOYSA-N 1 3 222.332 1.485 20 0 BDADHO C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CCOC1 ZINC000253077450 487846562 /nfs/dbraw/zinc/84/65/62/487846562.db2.gz SDNZJSOSCWOWPP-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000666638408 487849950 /nfs/dbraw/zinc/84/99/50/487849950.db2.gz LXZPYHRXDVZWRN-CHWSQXEVSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](CCO)C1 ZINC000666638408 487849955 /nfs/dbraw/zinc/84/99/55/487849955.db2.gz LXZPYHRXDVZWRN-CHWSQXEVSA-N 1 3 228.380 1.454 20 0 BDADHO c1ccc2c(c1)CN(CC[C@H]1CC[NH2+]C1)CCO2 ZINC000089749483 487852582 /nfs/dbraw/zinc/85/25/82/487852582.db2.gz VRZGBQKIEKFLJZ-CYBMUJFWSA-N 1 3 246.354 1.881 20 0 BDADHO CN(CCC[NH+]1CCCCC1)C(C)(C)CO ZINC000682028564 487882857 /nfs/dbraw/zinc/88/28/57/487882857.db2.gz VEKYOMQOVCBUKI-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO C[C@H](CN)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666826290 487887151 /nfs/dbraw/zinc/88/71/51/487887151.db2.gz UEQZNVLCUXMYKR-NEPJUHHUSA-N 1 3 234.343 1.737 20 0 BDADHO CC[C@H](C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682074891 487897963 /nfs/dbraw/zinc/89/79/63/487897963.db2.gz ZLDAVZOBNKKBPF-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@H](C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682074891 487897967 /nfs/dbraw/zinc/89/79/67/487897967.db2.gz ZLDAVZOBNKKBPF-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000570286800 323055183 /nfs/dbraw/zinc/05/51/83/323055183.db2.gz ZUPMABKKWXHLMF-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCCC(C)(C)CC1 ZINC000570286800 323055184 /nfs/dbraw/zinc/05/51/84/323055184.db2.gz ZUPMABKKWXHLMF-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO Cc1noc(CCCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000570528782 323062514 /nfs/dbraw/zinc/06/25/14/323062514.db2.gz DLYMWFVVKFKEBR-QWRGUYRKSA-N 1 3 238.335 1.170 20 0 BDADHO Cc1noc(CCC[NH2+][C@H]2CCC[C@H](N)C2)n1 ZINC000570528782 323062515 /nfs/dbraw/zinc/06/25/15/323062515.db2.gz DLYMWFVVKFKEBR-QWRGUYRKSA-N 1 3 238.335 1.170 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](F)C1 ZINC000563154563 323095731 /nfs/dbraw/zinc/09/57/31/323095731.db2.gz PVCPGDMPJTYWSQ-BJDJZHNGSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCC12CCOCC2 ZINC000563616188 323131617 /nfs/dbraw/zinc/13/16/17/323131617.db2.gz NYGSYTIBPQIJKI-UPJWGTAASA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@@H](O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000304331522 323164038 /nfs/dbraw/zinc/16/40/38/323164038.db2.gz VGESERPXXUIVPQ-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000304331522 323164039 /nfs/dbraw/zinc/16/40/39/323164039.db2.gz VGESERPXXUIVPQ-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CN1CCC[C@@H](C[NH2+]CC2(F)CC2)C1 ZINC000308571081 323175870 /nfs/dbraw/zinc/17/58/70/323175870.db2.gz BYHMDEJZMLUKQH-JTQLQIEISA-N 1 3 200.301 1.420 20 0 BDADHO C[NH+](C)CC1CC[NH+](Cc2ncccc2[O-])CC1 ZINC000563777913 323177420 /nfs/dbraw/zinc/17/74/20/323177420.db2.gz NCENUGLUSHQDFP-UHFFFAOYSA-N 1 3 249.358 1.561 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(C)C[C@H]2C)C1 ZINC000532531147 323274141 /nfs/dbraw/zinc/27/41/41/323274141.db2.gz SBQRJQNMRXEMOI-MCIONIFRSA-N 1 3 239.407 1.258 20 0 BDADHO CC(C)[C@H]1CCCC[N@@H+]1CCN1CCNCC1 ZINC000396005616 323281738 /nfs/dbraw/zinc/28/17/38/323281738.db2.gz ZDOQZXCPMPKRSF-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)[C@H]1CCCC[N@H+]1CCN1CCNCC1 ZINC000396005616 323281740 /nfs/dbraw/zinc/28/17/40/323281740.db2.gz ZDOQZXCPMPKRSF-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000221797798 323285087 /nfs/dbraw/zinc/28/50/87/323285087.db2.gz DOMINLNBDMUOLY-GXTWGEPZSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](C(=O)Nc1ccc2c(c1)CNC2)C1C[NH2+]C1 ZINC000572362661 323610316 /nfs/dbraw/zinc/61/03/16/323610316.db2.gz YEEKMEHFICOUTB-VIFPVBQESA-N 1 3 245.326 1.084 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1C2CCCC1CCC2 ZINC000653559548 487966013 /nfs/dbraw/zinc/96/60/13/487966013.db2.gz HKUWSCHPQLBJGD-JXQTWKCFSA-N 1 3 240.391 1.706 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1C2CCCC1CCC2 ZINC000653559548 487966018 /nfs/dbraw/zinc/96/60/18/487966018.db2.gz HKUWSCHPQLBJGD-JXQTWKCFSA-N 1 3 240.391 1.706 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1C2CCCC1CCC2 ZINC000653559549 487966368 /nfs/dbraw/zinc/96/63/68/487966368.db2.gz HKUWSCHPQLBJGD-RUXDESIVSA-N 1 3 240.391 1.706 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1C2CCCC1CCC2 ZINC000653559549 487966373 /nfs/dbraw/zinc/96/63/73/487966373.db2.gz HKUWSCHPQLBJGD-RUXDESIVSA-N 1 3 240.391 1.706 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130256182 325031233 /nfs/dbraw/zinc/03/12/33/325031233.db2.gz DDNDQPWXNGZRSK-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130256182 325031237 /nfs/dbraw/zinc/03/12/37/325031237.db2.gz DDNDQPWXNGZRSK-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000131886718 325189850 /nfs/dbraw/zinc/18/98/50/325189850.db2.gz LUWNSGKCRMTOQI-KBPBESRZSA-N 1 3 242.407 1.981 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2c[nH]nc2c1 ZINC000566229885 326019119 /nfs/dbraw/zinc/01/91/19/326019119.db2.gz RFWCVJPKNKYZSB-VHSXEESVSA-N 1 3 232.331 1.778 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482013 326055885 /nfs/dbraw/zinc/05/58/85/326055885.db2.gz LPVQAELYOBLCAK-RNJOBUHISA-N 1 3 208.349 1.892 20 0 BDADHO N[C@@H]1CCCc2cn(CC[C@@H]3CC[NH2+]C3)nc21 ZINC000567673764 326242537 /nfs/dbraw/zinc/24/25/37/326242537.db2.gz GTXMZBORJWTSNR-CMPLNLGQSA-N 1 3 234.347 1.219 20 0 BDADHO Cc1cccc(CC[N@H+]2CC[C@@H](CN(C)C)C2)n1 ZINC000567760545 326256003 /nfs/dbraw/zinc/25/60/03/326256003.db2.gz WPDNEBSASJQPNT-AWEZNQCLSA-N 1 3 247.386 1.816 20 0 BDADHO Cc1cccc(CC[N@@H+]2CC[C@@H](CN(C)C)C2)n1 ZINC000567760545 326256005 /nfs/dbraw/zinc/25/60/05/326256005.db2.gz WPDNEBSASJQPNT-AWEZNQCLSA-N 1 3 247.386 1.816 20 0 BDADHO Cc1cnc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000568248441 326334250 /nfs/dbraw/zinc/33/42/50/326334250.db2.gz QQJKUNQMSSJJMN-NEPJUHHUSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cn1 ZINC000568248441 326334252 /nfs/dbraw/zinc/33/42/52/326334252.db2.gz QQJKUNQMSSJJMN-NEPJUHHUSA-N 1 3 234.347 1.187 20 0 BDADHO COC[C@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000158689092 326337167 /nfs/dbraw/zinc/33/71/67/326337167.db2.gz PBUDYIKSXBVXIW-MJBXVCDLSA-N 1 3 242.407 1.979 20 0 BDADHO Cc1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)cn1 ZINC000569228144 326396289 /nfs/dbraw/zinc/39/62/89/326396289.db2.gz IGGLIGICCVQAIJ-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)cn1 ZINC000569228144 326396290 /nfs/dbraw/zinc/39/62/90/326396290.db2.gz IGGLIGICCVQAIJ-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO CC1(F)CC(N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000572855787 326415229 /nfs/dbraw/zinc/41/52/29/326415229.db2.gz MIJUYPQHFHOVFS-IZUQBHJASA-N 1 3 200.301 1.737 20 0 BDADHO CC[C@H](C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682074993 487990426 /nfs/dbraw/zinc/99/04/26/487990426.db2.gz ZLDAVZOBNKKBPF-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@H](C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682074993 487990429 /nfs/dbraw/zinc/99/04/29/487990429.db2.gz ZLDAVZOBNKKBPF-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CN(C)[C@H](CNCCC[NH3+])c1ccccc1 ZINC000135260636 488024570 /nfs/dbraw/zinc/02/45/70/488024570.db2.gz FDEJWJRMFXJZSN-CYBMUJFWSA-N 1 3 221.348 1.228 20 0 BDADHO CC(C)(C)OCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000682755529 488029816 /nfs/dbraw/zinc/02/98/16/488029816.db2.gz RVYIZYAWTASHEF-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO COCCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000135416047 488034525 /nfs/dbraw/zinc/03/45/25/488034525.db2.gz XCGTXMZQEZCTMS-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H](CO)Cc2ccccc2)C1 ZINC000236310875 488056641 /nfs/dbraw/zinc/05/66/41/488056641.db2.gz FSDRREZNGRPVKW-ILXRZTDVSA-N 1 3 248.370 1.450 20 0 BDADHO C[C@H](COCC1CC1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000656200637 488066577 /nfs/dbraw/zinc/06/65/77/488066577.db2.gz SREYKBRNBRJMGJ-WXHSDQCUSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](CCN)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000136136932 488083218 /nfs/dbraw/zinc/08/32/18/488083218.db2.gz IZFXBBNIOQLDSR-NEPJUHHUSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@H](CC[NH3+])NC[C@@H]1CCOc2ccccc21 ZINC000136136932 488083221 /nfs/dbraw/zinc/08/32/21/488083221.db2.gz IZFXBBNIOQLDSR-NEPJUHHUSA-N 1 3 234.343 1.880 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@H](C)CN ZINC001172746647 974923741 /nfs/dbraw/zinc/92/37/41/974923741.db2.gz RBIQEBZNDLZHRI-MNOVXSKESA-N 1 3 230.352 1.291 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)NC[C@H](C)C[NH3+] ZINC001172746647 974923747 /nfs/dbraw/zinc/92/37/47/974923747.db2.gz RBIQEBZNDLZHRI-MNOVXSKESA-N 1 3 230.352 1.291 20 0 BDADHO C[C@@H](C[NH2+]CC1(O)CCN(C)CC1)C(C)(C)C ZINC000397552980 488122659 /nfs/dbraw/zinc/12/26/59/488122659.db2.gz IKEQJGAADDREHH-LBPRGKRZSA-N 1 3 242.407 1.715 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)CO)C1 ZINC000121127135 490077106 /nfs/dbraw/zinc/07/71/06/490077106.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)CO)C1 ZINC000121127135 490077110 /nfs/dbraw/zinc/07/71/10/490077110.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121127135 490077115 /nfs/dbraw/zinc/07/71/15/490077115.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121127135 490077119 /nfs/dbraw/zinc/07/71/19/490077119.db2.gz VRRWUIXXWRQVJO-OLZOCXBDSA-N 1 3 228.380 1.279 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+](C)[C@H]1CCCOC1 ZINC000674301350 487552753 /nfs/dbraw/zinc/55/27/53/487552753.db2.gz ATRFVRKKGGZQGT-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+](C)[C@H]1CCCOC1 ZINC000674301350 487552756 /nfs/dbraw/zinc/55/27/56/487552756.db2.gz ATRFVRKKGGZQGT-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302559 487554105 /nfs/dbraw/zinc/55/41/05/487554105.db2.gz ODKFQALZJDVPKP-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCOC1 ZINC000674302559 487554112 /nfs/dbraw/zinc/55/41/12/487554112.db2.gz ODKFQALZJDVPKP-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785261 487531603 /nfs/dbraw/zinc/53/16/03/487531603.db2.gz OZEINANGRPAZCA-HZSPNIEDSA-N 1 3 240.391 1.685 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](C)N1CCCC1 ZINC000161076602 487476051 /nfs/dbraw/zinc/47/60/51/487476051.db2.gz GMINUGIBYOCZTR-AAEUAGOBSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)(CCN1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000406005491 487495616 /nfs/dbraw/zinc/49/56/16/487495616.db2.gz RRZJJQSCVVQGKY-ZDUSSCGKSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](N)CC(C)C ZINC000167193832 488144211 /nfs/dbraw/zinc/14/42/11/488144211.db2.gz YKIDYQWIDLQTBN-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](N)CC(C)C ZINC000167193832 488144216 /nfs/dbraw/zinc/14/42/16/488144216.db2.gz YKIDYQWIDLQTBN-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO c1ccc2c(c1)CC[C@@H]([NH2+]CC13CC(C1)CN3)C2 ZINC000663499554 488047749 /nfs/dbraw/zinc/04/77/49/488047749.db2.gz YHFUTWAZWSXPKK-DSSZZKGTSA-N 1 3 242.366 1.886 20 0 BDADHO COC[C@@H]1CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000678079368 488191964 /nfs/dbraw/zinc/19/19/64/488191964.db2.gz VUFSYBMGWXZILN-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO COC[C@@H]1CCCN1CC[C@H]1CCC[N@H+]1C ZINC000678079368 488191968 /nfs/dbraw/zinc/19/19/68/488191968.db2.gz VUFSYBMGWXZILN-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO c1cc2c(cccc2CN2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000678342884 488243525 /nfs/dbraw/zinc/24/35/25/488243525.db2.gz FCCWVLMEDZOPSR-BETUJISGSA-N 1 3 241.338 1.819 20 0 BDADHO c1cc2c(cccc2CN2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000678342885 488243557 /nfs/dbraw/zinc/24/35/57/488243557.db2.gz FCCWVLMEDZOPSR-CHWSQXEVSA-N 1 3 241.338 1.819 20 0 BDADHO OC[C@H](CC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000678604995 488270848 /nfs/dbraw/zinc/27/08/48/488270848.db2.gz BIQNWGTWGALADC-RDBSUJKOSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](CC1CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000678604995 488270850 /nfs/dbraw/zinc/27/08/50/488270850.db2.gz BIQNWGTWGALADC-RDBSUJKOSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nccn1C ZINC000665282943 490096309 /nfs/dbraw/zinc/09/63/09/490096309.db2.gz FATXOVLDWNCYOY-ZDEQEGDKSA-N 1 3 248.374 1.459 20 0 BDADHO COc1ccc(C[NH2+][C@H]2CCC[C@H]2N)c(C)c1 ZINC000517731009 490144538 /nfs/dbraw/zinc/14/45/38/490144538.db2.gz ZXDUTONVOWBXME-KGLIPLIRSA-N 1 3 234.343 1.973 20 0 BDADHO CC1CC[NH+](CCCN[C@H]2CCCOC2)CC1 ZINC000070463870 490215706 /nfs/dbraw/zinc/21/57/06/490215706.db2.gz RVOUVIBHQRGAPY-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H](O)[C@H](C)CC)CC1 ZINC000305107787 490434673 /nfs/dbraw/zinc/43/46/73/490434673.db2.gz DOJPZVYUADANIU-TZMCWYRMSA-N 1 3 242.407 1.857 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125476659 490435876 /nfs/dbraw/zinc/43/58/76/490435876.db2.gz APCWHHAHDHABCF-QWHCGFSZSA-N 1 3 240.391 1.789 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCC2(CO)CCCCC2)C1 ZINC000125476659 490435880 /nfs/dbraw/zinc/43/58/80/490435880.db2.gz APCWHHAHDHABCF-QWHCGFSZSA-N 1 3 240.391 1.789 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000131916689 491133890 /nfs/dbraw/zinc/13/38/90/491133890.db2.gz NJNJLDKYGPFIOA-LEWSCRJBSA-N 1 3 232.327 1.900 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C[C@@H]1CN ZINC000400597665 534033454 /nfs/dbraw/zinc/03/34/54/534033454.db2.gz DBCDWXPLOVPMTO-UPJWGTAASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1CN ZINC000400597665 534033460 /nfs/dbraw/zinc/03/34/60/534033460.db2.gz DBCDWXPLOVPMTO-UPJWGTAASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400597665 534033461 /nfs/dbraw/zinc/03/34/61/534033461.db2.gz DBCDWXPLOVPMTO-UPJWGTAASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C[C@@H]1CN ZINC000400597659 534035196 /nfs/dbraw/zinc/03/51/96/534035196.db2.gz DBCDWXPLOVPMTO-AGIUHOORSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C[C@@H]1CN ZINC000400597659 534035203 /nfs/dbraw/zinc/03/52/03/534035203.db2.gz DBCDWXPLOVPMTO-AGIUHOORSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCOC2)C[C@@H]1C[NH3+] ZINC000400597659 534035208 /nfs/dbraw/zinc/03/52/08/534035208.db2.gz DBCDWXPLOVPMTO-AGIUHOORSA-N 1 3 226.364 1.330 20 0 BDADHO CN1CCC([NH2+][C@H]2CCCCC[C@@H]2N)CC1 ZINC000335029062 536345690 /nfs/dbraw/zinc/34/56/90/536345690.db2.gz LOUVCIXUTKASBM-STQMWFEESA-N 1 3 225.380 1.330 20 0 BDADHO CCCCNC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000848986523 582817188 /nfs/dbraw/zinc/81/71/88/582817188.db2.gz AZEDTQNIWSPWSL-LLVKDONJSA-N 1 3 226.368 1.385 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000226069855 534651250 /nfs/dbraw/zinc/65/12/50/534651250.db2.gz RQUBEKBRZFNOQO-GRYCIOLGSA-N 1 3 228.380 1.501 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000300629837 527939261 /nfs/dbraw/zinc/93/92/61/527939261.db2.gz MCUDFVZLIAMCTA-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000494659997 528925247 /nfs/dbraw/zinc/92/52/47/528925247.db2.gz DBUQEAMRLSJIIC-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000156663137 535050160 /nfs/dbraw/zinc/05/01/60/535050160.db2.gz QGRXGHKHYFEEMV-NWDGAFQWSA-N 1 3 243.395 1.016 20 0 BDADHO CCOCCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250574234 535516269 /nfs/dbraw/zinc/51/62/69/535516269.db2.gz WYRRSQJASKEJAZ-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CCN(CC)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249794516 535543203 /nfs/dbraw/zinc/54/32/03/535543203.db2.gz ADOQIVYVOHPQBD-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO CCN(CC)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249794516 535543208 /nfs/dbraw/zinc/54/32/08/535543208.db2.gz ADOQIVYVOHPQBD-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000179637552 535965205 /nfs/dbraw/zinc/96/52/05/535965205.db2.gz OSWYXJXRHIHLDP-GFCCVEGCSA-N 1 3 224.348 1.217 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CC2=CCCOC2)C1 ZINC000179637552 535965210 /nfs/dbraw/zinc/96/52/10/535965210.db2.gz OSWYXJXRHIHLDP-GFCCVEGCSA-N 1 3 224.348 1.217 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000087362488 536090418 /nfs/dbraw/zinc/09/04/18/536090418.db2.gz DLHPQCCFQOVHGP-JHJVBQTASA-N 1 3 228.380 1.502 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000348148512 536370525 /nfs/dbraw/zinc/37/05/25/536370525.db2.gz IOGQOOWDSSKADR-MJBXVCDLSA-N 1 3 240.391 1.611 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245949251 537960432 /nfs/dbraw/zinc/96/04/32/537960432.db2.gz KWZYMDKSFGCKAN-ZYHUDNBSSA-N 1 3 236.363 1.711 20 0 BDADHO Cc1ccc(CNCCOCC[NH+](C)C)cn1 ZINC000231675862 566314008 /nfs/dbraw/zinc/31/40/08/566314008.db2.gz PVUWNNBZSHHPHJ-UHFFFAOYSA-N 1 3 237.347 1.058 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]C2CSC2)C1 ZINC000390001022 566381362 /nfs/dbraw/zinc/38/13/62/566381362.db2.gz SVBBJVJHHZIFEZ-LLVKDONJSA-N 1 3 228.405 1.812 20 0 BDADHO C([NH2+][C@H]1CC[C@H]1C1CC1)C12CC(C1)CN2 ZINC000854228325 588780999 /nfs/dbraw/zinc/78/09/99/588780999.db2.gz VFQGKYVWIDMPJJ-FHQIDYJMSA-N 1 3 206.333 1.517 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000854229195 588780818 /nfs/dbraw/zinc/78/08/18/588780818.db2.gz HWPZYAMKABKDCO-ZDCRXTMVSA-N 1 3 246.301 1.270 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCC1SCCS1 ZINC000854230290 588780849 /nfs/dbraw/zinc/78/08/49/588780849.db2.gz LYNIGMLFQCDGSQ-BDAKNGLRSA-N 1 3 234.434 1.898 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCC1SCCS1 ZINC000854230290 588780850 /nfs/dbraw/zinc/78/08/50/588780850.db2.gz LYNIGMLFQCDGSQ-BDAKNGLRSA-N 1 3 234.434 1.898 20 0 BDADHO C[C@@H]1CCC[N@H+](CCNc2ccncc2CO)C1 ZINC000891838235 582727959 /nfs/dbraw/zinc/72/79/59/582727959.db2.gz PXJYFNJFKPRDOC-GFCCVEGCSA-N 1 3 249.358 1.140 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCNc2ccncc2CO)C1 ZINC000891838235 582727961 /nfs/dbraw/zinc/72/79/61/582727961.db2.gz PXJYFNJFKPRDOC-GFCCVEGCSA-N 1 3 249.358 1.140 20 0 BDADHO C[C@@H]1COCCC[N@@H+]1CC1CCN(C)CC1 ZINC000892077440 582786682 /nfs/dbraw/zinc/78/66/82/582786682.db2.gz SDWLBVGILHRANB-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1COCCC[N@H+]1CC1CCN(C)CC1 ZINC000892077440 582786683 /nfs/dbraw/zinc/78/66/83/582786683.db2.gz SDWLBVGILHRANB-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO Cc1cc(NCC(C)(C)C[NH+](C)C)nc(N)n1 ZINC000106133762 582803035 /nfs/dbraw/zinc/80/30/35/582803035.db2.gz KICYEOXVNBNPAL-UHFFFAOYSA-N 1 3 237.351 1.367 20 0 BDADHO CC(C)CCNC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004195 582821892 /nfs/dbraw/zinc/82/18/92/582821892.db2.gz GVDPWINLZOIHHJ-GFCCVEGCSA-N 1 3 240.395 1.488 20 0 BDADHO CCO[C@H](CC[NH+](C)C)CNC1CSC1 ZINC000393615757 582824471 /nfs/dbraw/zinc/82/44/71/582824471.db2.gz ZUJRVBHJCSNJHQ-LLVKDONJSA-N 1 3 232.393 1.048 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000851985996 582989425 /nfs/dbraw/zinc/98/94/25/582989425.db2.gz YHEGXZMGQVULRG-BFHYXJOUSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000851985996 582989426 /nfs/dbraw/zinc/98/94/26/582989426.db2.gz YHEGXZMGQVULRG-BFHYXJOUSA-N 1 3 240.391 1.970 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccncc2CO)C1 ZINC000892824729 582989509 /nfs/dbraw/zinc/98/95/09/582989509.db2.gz UEDWGRUMYBICBS-QWHCGFSZSA-N 1 3 249.358 1.281 20 0 BDADHO Cc1cc(CNCC2=CC[N@H+](C)CC2)cnc1F ZINC000893305340 583095250 /nfs/dbraw/zinc/09/52/50/583095250.db2.gz UWZSRZOYRFAWFK-UHFFFAOYSA-N 1 3 249.333 1.881 20 0 BDADHO Cc1cc(CNCC2=CC[N@@H+](C)CC2)cnc1F ZINC000893305340 583095251 /nfs/dbraw/zinc/09/52/51/583095251.db2.gz UWZSRZOYRFAWFK-UHFFFAOYSA-N 1 3 249.333 1.881 20 0 BDADHO C/C=C/C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893660813 583189377 /nfs/dbraw/zinc/18/93/77/583189377.db2.gz KSLIKMSZOJKPND-RLAFVZKOSA-N 1 3 238.375 1.528 20 0 BDADHO C/C=C/C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893660813 583189379 /nfs/dbraw/zinc/18/93/79/583189379.db2.gz KSLIKMSZOJKPND-RLAFVZKOSA-N 1 3 238.375 1.528 20 0 BDADHO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC1CCN(C)CC1 ZINC000893669600 583192421 /nfs/dbraw/zinc/19/24/21/583192421.db2.gz QTDNPNUPYZWYRM-QWHCGFSZSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CC1CCN(C)CC1 ZINC000893669600 583192422 /nfs/dbraw/zinc/19/24/22/583192422.db2.gz QTDNPNUPYZWYRM-QWHCGFSZSA-N 1 3 239.407 1.353 20 0 BDADHO Fc1cccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000843341277 583227225 /nfs/dbraw/zinc/22/72/25/583227225.db2.gz SYVKBHOJYNRDPQ-IJLUTSLNSA-N 1 3 249.333 1.698 20 0 BDADHO Fc1cccc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000843341294 583227910 /nfs/dbraw/zinc/22/79/10/583227910.db2.gz SYVKBHOJYNRDPQ-SDDRHHMPSA-N 1 3 249.333 1.698 20 0 BDADHO CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000894454882 583464276 /nfs/dbraw/zinc/46/42/76/583464276.db2.gz BJCARHCSKMQFHI-DGCLKSJQSA-N 1 3 242.363 1.258 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894868160 583538330 /nfs/dbraw/zinc/53/83/30/583538330.db2.gz ZYRFAVVMKMXVMH-YUSLTOFOSA-N 1 3 238.375 1.769 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894868160 583538333 /nfs/dbraw/zinc/53/83/33/583538333.db2.gz ZYRFAVVMKMXVMH-YUSLTOFOSA-N 1 3 238.375 1.769 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cn[nH]c32)C1 ZINC000857849393 588912373 /nfs/dbraw/zinc/91/23/73/588912373.db2.gz WSBHTPXJAHNNSM-DGCLKSJQSA-N 1 3 248.374 1.719 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCc3cn[nH]c32)C1 ZINC000857849393 588912374 /nfs/dbraw/zinc/91/23/74/588912374.db2.gz WSBHTPXJAHNNSM-DGCLKSJQSA-N 1 3 248.374 1.719 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2CCCc3c[nH]nc32)C1 ZINC000857872166 588917597 /nfs/dbraw/zinc/91/75/97/588917597.db2.gz HVACCYUHAFIQQL-KGYLQXTDSA-N 1 3 248.374 1.717 20 0 BDADHO C[C@@H](CC[NH2+][C@@H](C)C1CCOCC1)N(C)C ZINC000895292557 583636942 /nfs/dbraw/zinc/63/69/42/583636942.db2.gz GUUONFIFZULHCR-RYUDHWBXSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@H](C)[C@@H](CNCC[C@@H](C)[NH+](C)C)OC ZINC000895291672 583637254 /nfs/dbraw/zinc/63/72/54/583637254.db2.gz AHMXWBDAWYOUPD-YNEHKIRRSA-N 1 3 230.396 1.977 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+]CC[C@@H](C)N(C)C ZINC000895294398 583638348 /nfs/dbraw/zinc/63/83/48/583638348.db2.gz PXSHWEIMJDTEFV-LLVKDONJSA-N 1 3 244.379 1.506 20 0 BDADHO COC(=O)C(C)(C)CCNCC[C@@H](C)[NH+](C)C ZINC000895294398 583638349 /nfs/dbraw/zinc/63/83/49/583638349.db2.gz PXSHWEIMJDTEFV-LLVKDONJSA-N 1 3 244.379 1.506 20 0 BDADHO c1nc(CNCC2CC[NH+](CC3CC3)CC2)c[nH]1 ZINC000895349988 583656232 /nfs/dbraw/zinc/65/62/32/583656232.db2.gz CCPFHGAHBORULY-UHFFFAOYSA-N 1 3 248.374 1.621 20 0 BDADHO c1ncc(CNCC2CC[NH+](CC3CC3)CC2)[nH]1 ZINC000895349988 583656233 /nfs/dbraw/zinc/65/62/33/583656233.db2.gz CCPFHGAHBORULY-UHFFFAOYSA-N 1 3 248.374 1.621 20 0 BDADHO C[C@@H]1[C@@H](Nc2cc[nH+]cc2C2CC2)CCN1C ZINC000895733912 583717102 /nfs/dbraw/zinc/71/71/02/583717102.db2.gz HOKXQDPLLKCNHG-MFKMUULPSA-N 1 3 231.343 1.885 20 0 BDADHO CC(C)[NH2+][C@H]1CCCN(c2ccnc(CO)c2)C1 ZINC000858378979 588949553 /nfs/dbraw/zinc/94/95/53/588949553.db2.gz UMQNUXPIHOODNJ-LBPRGKRZSA-N 1 3 249.358 1.541 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873282270 584129078 /nfs/dbraw/zinc/12/90/78/584129078.db2.gz SIZNVAMONOLIMY-VLJOUNFMSA-N 1 3 226.364 1.659 20 0 BDADHO Cc1nccnc1[C@@H](C)N[C@@H](C)CCCC[NH3+] ZINC000873296203 584129262 /nfs/dbraw/zinc/12/92/62/584129262.db2.gz CTHHSXFIWXOJJL-CMPLNLGQSA-N 1 3 236.363 1.953 20 0 BDADHO C[C@@H](NC(=[NH2+])NC[C@@H]1CCCN(C)C1)C1CC1 ZINC000899266863 584190074 /nfs/dbraw/zinc/19/00/74/584190074.db2.gz IGBMNBSCYHTBRE-MNOVXSKESA-N 1 3 238.379 1.241 20 0 BDADHO C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)CN(C)C ZINC000899272371 584191956 /nfs/dbraw/zinc/19/19/56/584191956.db2.gz DSLVOSDWZNWBDC-ZJUUUORDSA-N 1 3 226.368 1.097 20 0 BDADHO C[N@H+](CCCCNc1ccnc(CO)c1)C1CC1 ZINC000858566462 588966605 /nfs/dbraw/zinc/96/66/05/588966605.db2.gz VGFPZPBRAMGZQF-UHFFFAOYSA-N 1 3 249.358 1.860 20 0 BDADHO C[N@@H+](CCCCNc1ccnc(CO)c1)C1CC1 ZINC000858566462 588966606 /nfs/dbraw/zinc/96/66/06/588966606.db2.gz VGFPZPBRAMGZQF-UHFFFAOYSA-N 1 3 249.358 1.860 20 0 BDADHO C[C@@]1(C[NH2+][C@@H]2CCNCC(C)(C)C2)CCOC1 ZINC000902321933 584551466 /nfs/dbraw/zinc/55/14/66/584551466.db2.gz ZFNYMNSDBDTNJX-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000902338840 584556738 /nfs/dbraw/zinc/55/67/38/584556738.db2.gz XZFHEEYESODGKM-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO COCCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902346251 584558036 /nfs/dbraw/zinc/55/80/36/584558036.db2.gz NVQDJIFHQHCJMX-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CCCCO)C1 ZINC000902374817 584567032 /nfs/dbraw/zinc/56/70/32/584567032.db2.gz DDDGTKIYWINBNV-NSHDSACASA-N 1 3 214.353 1.127 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCCCO)C1 ZINC000902374817 584567033 /nfs/dbraw/zinc/56/70/33/584567033.db2.gz DDDGTKIYWINBNV-NSHDSACASA-N 1 3 214.353 1.127 20 0 BDADHO COc1cccc(C[C@@H](C)NCC2([NH3+])CC2)n1 ZINC000902407588 584574539 /nfs/dbraw/zinc/57/45/39/584574539.db2.gz RDTMZONFHLPESF-SNVBAGLBSA-N 1 3 235.331 1.102 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)C(C)(C)O ZINC000902388402 584579955 /nfs/dbraw/zinc/57/99/55/584579955.db2.gz PKQYKKSJPLAGOM-RYUDHWBXSA-N 1 3 242.407 1.904 20 0 BDADHO CCO[C@H]1C[C@H](NCC2([NH3+])CC2)C12CCCC2 ZINC000902412782 584581452 /nfs/dbraw/zinc/58/14/52/584581452.db2.gz DTRSQQRNYOHDNM-RYUDHWBXSA-N 1 3 238.375 1.805 20 0 BDADHO C[C@@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C1CNC1 ZINC000902432805 584595394 /nfs/dbraw/zinc/59/53/94/584595394.db2.gz YDTLYOOYVVKDHF-DGCLKSJQSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NCC[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902432805 584595395 /nfs/dbraw/zinc/59/53/95/584595395.db2.gz YDTLYOOYVVKDHF-DGCLKSJQSA-N 1 3 240.391 1.779 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000902434285 584595928 /nfs/dbraw/zinc/59/59/28/584595928.db2.gz NDVHIZHQHHZWNE-FAAHXZRKSA-N 1 3 245.370 1.328 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000902436122 584596689 /nfs/dbraw/zinc/59/66/89/584596689.db2.gz XIPDBVPWPICUJF-CTHBEMJXSA-N 1 3 245.370 1.471 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902442038 584597506 /nfs/dbraw/zinc/59/75/06/584597506.db2.gz HJHYOEJLYUIVFJ-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]([NH2+][C@H]1CNCC1(C)C)C1CCOCC1 ZINC000902449394 584606117 /nfs/dbraw/zinc/60/61/17/584606117.db2.gz NUHBQVWZTCOILT-PWSUYJOCSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H](CCCCO)[NH2+][C@@H]1CNCC1(C)C ZINC000902449468 584606278 /nfs/dbraw/zinc/60/62/78/584606278.db2.gz OUSBHBJGWHEQBT-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@@H]1CCCOC1 ZINC000902451382 584607461 /nfs/dbraw/zinc/60/74/61/584607461.db2.gz XEWKMVRBHCUYPU-QJPTWQEYSA-N 1 3 226.364 1.389 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452533 584607549 /nfs/dbraw/zinc/60/75/49/584607549.db2.gz KSZRYSCQLFHGSX-LMEMUVGESA-N 1 3 222.332 1.022 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000902455829 584609572 /nfs/dbraw/zinc/60/95/72/584609572.db2.gz NEGHSZJJIWHJFS-KKOKHZNYSA-N 1 3 208.349 1.905 20 0 BDADHO CC(C)C1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902467689 584614607 /nfs/dbraw/zinc/61/46/07/584614607.db2.gz RJJNCUVHTLQVRW-ZWMSFMBMSA-N 1 3 208.349 1.904 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCCCCN1)C(C)C ZINC000902482981 584624048 /nfs/dbraw/zinc/62/40/48/584624048.db2.gz OHYMQLZCYSYTDU-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@H]1CCOC1 ZINC000902482470 584624263 /nfs/dbraw/zinc/62/42/63/584624263.db2.gz LPNUVOPDUOEEKB-IHRRRGAJSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902516553 584630220 /nfs/dbraw/zinc/63/02/20/584630220.db2.gz DJPZKDFVJSWXPW-GZZJDILISA-N 1 3 234.343 1.360 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000902521414 584631790 /nfs/dbraw/zinc/63/17/90/584631790.db2.gz SOJURVIYBDHFEG-CYDGBPFRSA-N 1 3 224.348 1.128 20 0 BDADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171935 584732864 /nfs/dbraw/zinc/73/28/64/584732864.db2.gz UAZQKAIJTPJKMC-QXMXGUDHSA-N 1 3 237.391 1.295 20 0 BDADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903171935 584732865 /nfs/dbraw/zinc/73/28/65/584732865.db2.gz UAZQKAIJTPJKMC-QXMXGUDHSA-N 1 3 237.391 1.295 20 0 BDADHO O[C@@H]1CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903192435 584733933 /nfs/dbraw/zinc/73/39/33/584733933.db2.gz MQNBUDUDHVBGPH-IBYNPJLGSA-N 1 3 236.359 1.257 20 0 BDADHO O[C@@H]1CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903192435 584733934 /nfs/dbraw/zinc/73/39/34/584733934.db2.gz MQNBUDUDHVBGPH-IBYNPJLGSA-N 1 3 236.359 1.257 20 0 BDADHO C[C@@H]1[C@@H]([NH2+][C@H]2CCN(C)C(C)(C)C2)CCN1C ZINC000903300685 584743922 /nfs/dbraw/zinc/74/39/22/584743922.db2.gz LFVNRJNAQFLUTL-AGIUHOORSA-N 1 3 239.407 1.541 20 0 BDADHO CN1CC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000903321536 584747027 /nfs/dbraw/zinc/74/70/27/584747027.db2.gz HEDVPJSMYZQXLZ-AWEZNQCLSA-N 1 3 237.391 1.155 20 0 BDADHO CN1CC[C@H]1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000903321536 584747028 /nfs/dbraw/zinc/74/70/28/584747028.db2.gz HEDVPJSMYZQXLZ-AWEZNQCLSA-N 1 3 237.391 1.155 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(CCCO)CC(C)(C)C ZINC000903435093 584762080 /nfs/dbraw/zinc/76/20/80/584762080.db2.gz NTRVTMDYJFDXJD-OLZOCXBDSA-N 1 3 242.407 1.572 20 0 BDADHO [NH3+]C[C@H]1CCN(Cc2ccc3cc[nH]c3c2)C1 ZINC000903423394 584764205 /nfs/dbraw/zinc/76/42/05/584764205.db2.gz UTTDZLDCFLVDEP-GFCCVEGCSA-N 1 3 229.327 1.949 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@]2(CC2(F)F)C1 ZINC000903460810 584766462 /nfs/dbraw/zinc/76/64/62/584766462.db2.gz IRUQOLJOGODTEB-OUAUKWLOSA-N 1 3 230.302 1.573 20 0 BDADHO Cc1nccn1CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000903470483 584774748 /nfs/dbraw/zinc/77/47/48/584774748.db2.gz MFZIIQGPNAXMDK-ZDUSSCGKSA-N 1 3 248.374 1.456 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CCNC12CCC2 ZINC000903470483 584774749 /nfs/dbraw/zinc/77/47/49/584774749.db2.gz MFZIIQGPNAXMDK-ZDUSSCGKSA-N 1 3 248.374 1.456 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000903482183 584778901 /nfs/dbraw/zinc/77/89/01/584778901.db2.gz YWZCJLYQKJDMLM-YIYPIFLZSA-N 1 3 238.375 1.343 20 0 BDADHO Cc1cnc([C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000903499662 584780016 /nfs/dbraw/zinc/78/00/16/584780016.db2.gz LKQZWZIWQUYITC-YUSALJHKSA-N 1 3 237.347 1.961 20 0 BDADHO OCCCCN(C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903729568 584792784 /nfs/dbraw/zinc/79/27/84/584792784.db2.gz OVSCNDGNWCSIBU-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO OC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000903753038 584795930 /nfs/dbraw/zinc/79/59/30/584795930.db2.gz YNDDDPQBUWOGEJ-UHFFFAOYSA-N 1 3 246.354 1.289 20 0 BDADHO CC1CC(C[N@@H+]2CC[C@H](C)[C@H](CN)C2)C1 ZINC000903761589 584797082 /nfs/dbraw/zinc/79/70/82/584797082.db2.gz WUKAGLPOAVZZBD-PYNQCMFNSA-N 1 3 210.365 1.949 20 0 BDADHO CC1CC(C[N@H+]2CC[C@H](C)[C@H](CN)C2)C1 ZINC000903761589 584797083 /nfs/dbraw/zinc/79/70/83/584797083.db2.gz WUKAGLPOAVZZBD-PYNQCMFNSA-N 1 3 210.365 1.949 20 0 BDADHO CC12CC(C1)CN2C[C@H]1CCCC[NH2+]C1 ZINC000903770343 584797819 /nfs/dbraw/zinc/79/78/19/584797819.db2.gz XBRXFZZWRAGZLS-HIFPTAJRSA-N 1 3 208.349 1.860 20 0 BDADHO CC12CC(C1)C[N@@H+]2C[C@H]1CCCCNC1 ZINC000903770343 584797820 /nfs/dbraw/zinc/79/78/20/584797820.db2.gz XBRXFZZWRAGZLS-HIFPTAJRSA-N 1 3 208.349 1.860 20 0 BDADHO CC12CC(C1)C[N@H+]2C[C@H]1CCCCNC1 ZINC000903770343 584797821 /nfs/dbraw/zinc/79/78/21/584797821.db2.gz XBRXFZZWRAGZLS-HIFPTAJRSA-N 1 3 208.349 1.860 20 0 BDADHO CCO[C@H](CN1CC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000903860028 584812361 /nfs/dbraw/zinc/81/23/61/584812361.db2.gz QASRLUXJVGFWRI-BFHYXJOUSA-N 1 3 238.375 1.615 20 0 BDADHO CN(C[C@H]([NH3+])CC(F)F)[C@@H]1CCN(C2CC2)C1 ZINC000903892911 584818774 /nfs/dbraw/zinc/81/87/74/584818774.db2.gz XZYCQKLZWULGIB-MWLCHTKSSA-N 1 3 247.333 1.137 20 0 BDADHO CCN1CCCC[C@H]1C[NH2+]C[C@@H](N)CC(F)F ZINC000903923145 584823566 /nfs/dbraw/zinc/82/35/66/584823566.db2.gz MNHOASYSHNPUSF-QWRGUYRKSA-N 1 3 249.349 1.433 20 0 BDADHO Cc1cccc(CCNC[C@H]([NH3+])CC(F)F)n1 ZINC000903928343 584824626 /nfs/dbraw/zinc/82/46/26/584824626.db2.gz XSGRPVOWKDGWTK-SNVBAGLBSA-N 1 3 243.301 1.505 20 0 BDADHO C[C@@H](CNC[C@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935509 584825584 /nfs/dbraw/zinc/82/55/84/584825584.db2.gz QVOZZYQXCNBYAX-GXSJLCMTSA-N 1 3 243.301 1.757 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1ccccn1 ZINC000903974341 584832759 /nfs/dbraw/zinc/83/27/59/584832759.db2.gz OVVXIXCXTICDSU-VXGBXAGGSA-N 1 3 219.332 1.417 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN[C@@H]1CCc2ccccc2C1 ZINC000903968681 584835123 /nfs/dbraw/zinc/83/51/23/584835123.db2.gz YIBBRZRDEYREIL-UHOFOFEASA-N 1 3 244.382 1.989 20 0 BDADHO CC(C)[N@H+](CCO)C[C@H](N)CCC(C)(C)C ZINC000904304214 584862366 /nfs/dbraw/zinc/86/23/66/584862366.db2.gz VTQDRDVWPNUOIC-GFCCVEGCSA-N 1 3 230.396 1.843 20 0 BDADHO CC(C)[N@@H+](CCO)C[C@H](N)CCC(C)(C)C ZINC000904304214 584862367 /nfs/dbraw/zinc/86/23/67/584862367.db2.gz VTQDRDVWPNUOIC-GFCCVEGCSA-N 1 3 230.396 1.843 20 0 BDADHO Cc1cc([C@@H]2CCCN2C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904309236 584862568 /nfs/dbraw/zinc/86/25/68/584862568.db2.gz DYUZFCCHSJTAOU-LOWVWBTDSA-N 1 3 235.331 1.857 20 0 BDADHO Cc1cc([C@H]2CCCN2C[C@H]2C[C@@H]([NH3+])C2)on1 ZINC000904312746 584863632 /nfs/dbraw/zinc/86/36/32/584863632.db2.gz SDDKBMSEIBGLLG-GRYCIOLGSA-N 1 3 235.331 1.857 20 0 BDADHO Cn1nccc1[C@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350942 584869552 /nfs/dbraw/zinc/86/95/52/584869552.db2.gz RTKFDNMHHZWHOB-MBNYWOFBSA-N 1 3 248.374 1.684 20 0 BDADHO COCCCNC[C@@H]([NH3+])CCC(C)(C)C ZINC000904367948 584872627 /nfs/dbraw/zinc/87/26/27/584872627.db2.gz KZWOOEZKQRNYCT-NSHDSACASA-N 1 3 216.369 1.766 20 0 BDADHO Cc1cccc(CCNC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000904368121 584872785 /nfs/dbraw/zinc/87/27/85/584872785.db2.gz IFPASPRFRCBZEB-HNNXBMFYSA-N 1 3 247.386 1.912 20 0 BDADHO Cc1cccc(CC[NH2+]C[C@@]2(C)CCCNC2)n1 ZINC000904368121 584872787 /nfs/dbraw/zinc/87/27/87/584872787.db2.gz IFPASPRFRCBZEB-HNNXBMFYSA-N 1 3 247.386 1.912 20 0 BDADHO Cc1cccc(CCNC[C@]2(C)CCC[NH2+]C2)n1 ZINC000904368122 584872891 /nfs/dbraw/zinc/87/28/91/584872891.db2.gz IFPASPRFRCBZEB-OAHLLOKOSA-N 1 3 247.386 1.912 20 0 BDADHO Cc1cccc(CC[NH2+]C[C@]2(C)CCCNC2)n1 ZINC000904368122 584872892 /nfs/dbraw/zinc/87/28/92/584872892.db2.gz IFPASPRFRCBZEB-OAHLLOKOSA-N 1 3 247.386 1.912 20 0 BDADHO CCc1noc(CC)c1CNC[C@H]1C[C@@H]([NH3+])C1 ZINC000904364101 584874605 /nfs/dbraw/zinc/87/46/05/584874605.db2.gz RMQITWJNKROOJU-AOOOYVTPSA-N 1 3 237.347 1.626 20 0 BDADHO [NH3+]CC1CC(N[C@H]2CCCn3nccc32)C1 ZINC000904384839 584877563 /nfs/dbraw/zinc/87/75/63/584877563.db2.gz NOZLIIFIYGWMLP-ILDUYXDCSA-N 1 3 220.320 1.045 20 0 BDADHO Cc1n[nH]cc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000904412324 584879569 /nfs/dbraw/zinc/87/95/69/584879569.db2.gz SCVUIHPXPRRHSU-GXSJLCMTSA-N 1 3 222.336 1.135 20 0 BDADHO CCC[C@@H](C)C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420262 584882000 /nfs/dbraw/zinc/88/20/00/584882000.db2.gz IRKJJTNVNYWGOF-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO CCC[C@@H](C)C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420262 584882001 /nfs/dbraw/zinc/88/20/01/584882001.db2.gz IRKJJTNVNYWGOF-FRRDWIJNSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788615649 585040251 /nfs/dbraw/zinc/04/02/51/585040251.db2.gz WFWGXOOZLGTWFM-VXGBXAGGSA-N 1 3 249.358 1.922 20 0 BDADHO C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1cc[nH]c(=O)c1 ZINC000788615649 585040252 /nfs/dbraw/zinc/04/02/52/585040252.db2.gz WFWGXOOZLGTWFM-VXGBXAGGSA-N 1 3 249.358 1.922 20 0 BDADHO CN1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000765140719 585481776 /nfs/dbraw/zinc/48/17/76/585481776.db2.gz ALTSHCTUUOMQKN-AWEZNQCLSA-N 1 3 237.391 1.155 20 0 BDADHO CN1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000765140719 585481777 /nfs/dbraw/zinc/48/17/77/585481777.db2.gz ALTSHCTUUOMQKN-AWEZNQCLSA-N 1 3 237.391 1.155 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000767586327 585522924 /nfs/dbraw/zinc/52/29/24/585522924.db2.gz GAHHHCYYVCZVJV-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1C ZINC000767586327 585522925 /nfs/dbraw/zinc/52/29/25/585522925.db2.gz GAHHHCYYVCZVJV-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H]1[C@H](C)N(CC[NH+]2CCCC2)CCN1C ZINC000771458168 585594804 /nfs/dbraw/zinc/59/48/04/585594804.db2.gz CZBPWWOVAGVOTF-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CCN(CCC[NH2+][C@H]2CC[C@H]2C)CC1 ZINC000783223972 585831108 /nfs/dbraw/zinc/83/11/08/585831108.db2.gz ORIGQXMQQLHLMB-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CC[C@@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000783221777 585831227 /nfs/dbraw/zinc/83/12/27/585831227.db2.gz HXJDAUXMYGLOHJ-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H]1CC[C@H]1[NH2+]CCCN1CCCN(C)CC1 ZINC000783240805 585831871 /nfs/dbraw/zinc/83/18/71/585831871.db2.gz RQVMGUWTCGXSOD-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C[NH+](C)C)C(C)C)N(C)C ZINC000840344937 586814872 /nfs/dbraw/zinc/81/48/72/586814872.db2.gz MWPATCXORKBGRV-NEPJUHHUSA-N 1 3 243.395 1.029 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)c1ccccc1 ZINC000817892692 586833255 /nfs/dbraw/zinc/83/32/55/586833255.db2.gz BPLFKBFIJJHZJR-VHDGCEQUSA-N 1 3 248.370 1.698 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCNc1ccccc1 ZINC000817901755 586835855 /nfs/dbraw/zinc/83/58/55/586835855.db2.gz YEKUEJXOKBVWAC-NWDGAFQWSA-N 1 3 221.348 1.814 20 0 BDADHO C[C@H](C[C@H](O)c1ccccc1)N[C@H](C)C1C[NH2+]C1 ZINC000817905239 586836991 /nfs/dbraw/zinc/83/69/91/586836991.db2.gz KYVZDLJUIMBASC-JMSVASOKSA-N 1 3 248.370 1.696 20 0 BDADHO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)C1CNC1 ZINC000817905239 586836993 /nfs/dbraw/zinc/83/69/93/586836993.db2.gz KYVZDLJUIMBASC-JMSVASOKSA-N 1 3 248.370 1.696 20 0 BDADHO C[C@@H]1CCCN1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000817911429 586838132 /nfs/dbraw/zinc/83/81/32/586838132.db2.gz AHFBMIXKWBTMEG-UPJWGTAASA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCC(C)(O)CC1 ZINC000817913083 586838198 /nfs/dbraw/zinc/83/81/98/586838198.db2.gz NXHVYTYOFTZGRJ-CQLXCSJHSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000817912143 586838217 /nfs/dbraw/zinc/83/82/17/586838217.db2.gz FOMQOROPPNJEAR-YUELXQCFSA-N 1 3 248.370 1.611 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1CN)c1ccccc1 ZINC000817912143 586838219 /nfs/dbraw/zinc/83/82/19/586838219.db2.gz FOMQOROPPNJEAR-YUELXQCFSA-N 1 3 248.370 1.611 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000817913692 586839303 /nfs/dbraw/zinc/83/93/03/586839303.db2.gz QSNMHUUATSVCAZ-GRYCIOLGSA-N 1 3 238.331 1.338 20 0 BDADHO Cc1ncc(CCN[C@@H](C)C[C@H](C)[NH3+])s1 ZINC000817915042 586839529 /nfs/dbraw/zinc/83/95/29/586839529.db2.gz GYTRRKALRHHIOW-IUCAKERBSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCCCC1 ZINC000817914679 586839586 /nfs/dbraw/zinc/83/95/86/586839586.db2.gz XZHMNPLVIGGMNQ-AGIUHOORSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@@H]1CCCN1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000817913652 586839622 /nfs/dbraw/zinc/83/96/22/586839622.db2.gz PNMXYOWBRRLMLB-MCIONIFRSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCC[C@H]1C ZINC000817914428 586839720 /nfs/dbraw/zinc/83/97/20/586839720.db2.gz XGAOJDJQCFIIQM-QJPTWQEYSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1COC2(CCCC2)O1 ZINC000817917284 586839851 /nfs/dbraw/zinc/83/98/51/586839851.db2.gz ANANEGMRBBFHEV-SDDRHHMPSA-N 1 3 242.363 1.388 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1COC2(CCCC2)O1 ZINC000817917283 586840337 /nfs/dbraw/zinc/84/03/37/586840337.db2.gz ANANEGMRBBFHEV-QJPTWQEYSA-N 1 3 242.363 1.388 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@H](O)c1ccc(F)cc1 ZINC000817926925 586841126 /nfs/dbraw/zinc/84/11/26/586841126.db2.gz WTZQFJKOPBZGBH-NRUUGDAUSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@@H](NCC[C@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923943 586841295 /nfs/dbraw/zinc/84/12/95/586841295.db2.gz ITLMSBPKNRVUKD-DOMZBBRYSA-N 1 3 248.370 1.482 20 0 BDADHO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)C1CNC1 ZINC000817923943 586841296 /nfs/dbraw/zinc/84/12/96/586841296.db2.gz ITLMSBPKNRVUKD-DOMZBBRYSA-N 1 3 248.370 1.482 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@@H](O)c1ccc(F)cc1 ZINC000817926922 586841652 /nfs/dbraw/zinc/84/16/52/586841652.db2.gz WTZQFJKOPBZGBH-GBIKHYSHSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000817930567 586842286 /nfs/dbraw/zinc/84/22/86/586842286.db2.gz DBUCYVSLWLYWLY-MNXVOIDGSA-N 1 3 236.359 1.824 20 0 BDADHO C[C@@H](NC[C@]1(C)CC1(Cl)Cl)C1C[NH2+]C1 ZINC000817935697 586844203 /nfs/dbraw/zinc/84/42/03/586844203.db2.gz DAPZERNYPLYUNQ-APPZFPTMSA-N 1 3 237.174 1.768 20 0 BDADHO C[C@H]1CC2(CN1CCF)CC[NH2+]CC2 ZINC000818341205 586887276 /nfs/dbraw/zinc/88/72/76/586887276.db2.gz XZHXDKXVCMEQCT-JTQLQIEISA-N 1 3 200.301 1.420 20 0 BDADHO CC1(NC(=O)c2cccc(CN)c2)CC[NH2+]CC1 ZINC000818583734 586903183 /nfs/dbraw/zinc/90/31/83/586903183.db2.gz RGTGOCUKYAEXNS-UHFFFAOYSA-N 1 3 247.342 1.017 20 0 BDADHO CCCN(C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828551 587692707 /nfs/dbraw/zinc/69/27/07/587692707.db2.gz FSGPSVOEUKIDLP-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO [NH3+]CCCCCC(=O)Nc1ccc2c(c1)CNC2 ZINC000834846433 587768664 /nfs/dbraw/zinc/76/86/64/587768664.db2.gz WDEIEXUJWVVLIC-UHFFFAOYSA-N 1 3 247.342 1.747 20 0 BDADHO [NH3+]CCCN1CC[C@@H](c2ccccn2)C1 ZINC000841020161 587935634 /nfs/dbraw/zinc/93/56/34/587935634.db2.gz NTCMXQIOXMVGPS-LLVKDONJSA-N 1 3 205.305 1.220 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841031524 587936343 /nfs/dbraw/zinc/93/63/43/587936343.db2.gz UTURVNBXKVFALF-UTLUCORTSA-N 1 3 246.445 1.693 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841031461 587936835 /nfs/dbraw/zinc/93/68/35/587936835.db2.gz UTURVNBXKVFALF-BBBLOLIVSA-N 1 3 246.445 1.693 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCC1CCOCC1 ZINC000841064242 587941874 /nfs/dbraw/zinc/94/18/74/587941874.db2.gz WMOUCGVDLBJMAI-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO NCc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000841850726 587978209 /nfs/dbraw/zinc/97/82/09/587978209.db2.gz FGXXEJAGQPCJHL-STQMWFEESA-N 1 3 247.342 1.145 20 0 BDADHO c1cc2c(cc1NC[C@@H]1CCC[NH2+]1)CNCCO2 ZINC000843125884 588084196 /nfs/dbraw/zinc/08/41/96/588084196.db2.gz KBJCJEMNEUJOLW-ZDUSSCGKSA-N 1 3 247.342 1.333 20 0 BDADHO Cn1ccc(CNCCCCCC[NH3+])n1 ZINC000843127371 588085221 /nfs/dbraw/zinc/08/52/21/588085221.db2.gz OJDKOGLYWWJADA-UHFFFAOYSA-N 1 3 210.325 1.029 20 0 BDADHO C[C@H](NCCCCCC[NH3+])c1ccn(C)n1 ZINC000843344296 588102173 /nfs/dbraw/zinc/10/21/73/588102173.db2.gz UELVKRRXTCCOKG-NSHDSACASA-N 1 3 224.352 1.590 20 0 BDADHO CC(C)[C@@H](C(=O)NCCCCCC[NH3+])N(C)C ZINC000844201354 588173380 /nfs/dbraw/zinc/17/33/80/588173380.db2.gz PLOLYJXLJSRWBB-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO Cc1cccc([C@H](O)CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720496 588408656 /nfs/dbraw/zinc/40/86/56/588408656.db2.gz YRDHRYNJFLANJB-RRFJBIMHSA-N 1 3 248.370 1.888 20 0 BDADHO CCNC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000848987176 588425987 /nfs/dbraw/zinc/42/59/87/588425987.db2.gz LIVFUOJJZPJNQD-QWRGUYRKSA-N 1 3 226.368 1.241 20 0 BDADHO C[C@H](CNC(=[NH2+])N(C)C)N1CCCC[C@H]1C ZINC000848987406 588426098 /nfs/dbraw/zinc/42/60/98/588426098.db2.gz ULAKZQIIFHUNMV-GHMZBOCLSA-N 1 3 226.368 1.335 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NCCN1CCCCCC1 ZINC000848987769 588426125 /nfs/dbraw/zinc/42/61/25/588426125.db2.gz YXHBDPYQRGOUCA-LBPRGKRZSA-N 1 3 240.395 1.775 20 0 BDADHO CN(C(=[NH2+])NCCN1CCCC1(C)C)C1CC1 ZINC000849038708 588446249 /nfs/dbraw/zinc/44/62/49/588446249.db2.gz YUKKFLGZMOWMAP-UHFFFAOYSA-N 1 3 238.379 1.479 20 0 BDADHO CO[C@H]1CC[C@@H](N2CCC([NH+](C)C)CC2)C1 ZINC000851726219 588617857 /nfs/dbraw/zinc/61/78/57/588617857.db2.gz NRGIMBQTSYNGJE-OLZOCXBDSA-N 1 3 226.364 1.580 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC(OC)OC)C1 ZINC000851798877 588630311 /nfs/dbraw/zinc/63/03/11/588630311.db2.gz JAYPYAGODJEVPS-LBPRGKRZSA-N 1 3 244.379 1.269 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(OC)OC)C1 ZINC000851798877 588630312 /nfs/dbraw/zinc/63/03/12/588630312.db2.gz JAYPYAGODJEVPS-LBPRGKRZSA-N 1 3 244.379 1.269 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H](O)C1CC1)C2 ZINC000852107447 588663961 /nfs/dbraw/zinc/66/39/61/588663961.db2.gz LLNVHQWJLKBRTB-KBPBESRZSA-N 1 3 238.375 1.175 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H](O)C1CC1)C2 ZINC000852107447 588663962 /nfs/dbraw/zinc/66/39/62/588663962.db2.gz LLNVHQWJLKBRTB-KBPBESRZSA-N 1 3 238.375 1.175 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@@H](CN)C1)C1CCCC1 ZINC000852744316 588698965 /nfs/dbraw/zinc/69/89/65/588698965.db2.gz YIQGFIHCBLVXAL-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@@H](CN)C1)C1CCCC1 ZINC000852744316 588698966 /nfs/dbraw/zinc/69/89/66/588698966.db2.gz YIQGFIHCBLVXAL-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](CN1CCC[C@@H](C[NH3+])C1)C1CCCC1 ZINC000852744316 588698967 /nfs/dbraw/zinc/69/89/67/588698967.db2.gz YIQGFIHCBLVXAL-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CCC[N@H+](CCOC(F)F)C1CCNCC1 ZINC000852747159 588699044 /nfs/dbraw/zinc/69/90/44/588699044.db2.gz XSKFNTIUXAOBGW-UHFFFAOYSA-N 1 3 236.306 1.690 20 0 BDADHO CCC[N@@H+](CCOC(F)F)C1CCNCC1 ZINC000852747159 588699045 /nfs/dbraw/zinc/69/90/45/588699045.db2.gz XSKFNTIUXAOBGW-UHFFFAOYSA-N 1 3 236.306 1.690 20 0 BDADHO CCCN(CCOC(F)F)C1CC[NH2+]CC1 ZINC000852747159 588699046 /nfs/dbraw/zinc/69/90/46/588699046.db2.gz XSKFNTIUXAOBGW-UHFFFAOYSA-N 1 3 236.306 1.690 20 0 BDADHO CC(C)[C@H]([NH3+])CCNC(=O)c1cccc(CN)c1 ZINC000852868111 588709522 /nfs/dbraw/zinc/70/95/22/588709522.db2.gz NSWNBXGXQLUIPN-CYBMUJFWSA-N 1 3 249.358 1.249 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2)CCO1 ZINC000863489375 589293764 /nfs/dbraw/zinc/29/37/64/589293764.db2.gz YIGZYLQZMDPUTK-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CC[C@@H]2C2CC2)C[NH2+]1 ZINC000863546208 589297750 /nfs/dbraw/zinc/29/77/50/589297750.db2.gz JZOCDUFOCCFXOM-GWNIPJSYSA-N 1 3 208.349 1.905 20 0 BDADHO CN1CC[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000866585429 589502302 /nfs/dbraw/zinc/50/23/02/589502302.db2.gz XYWIALXVWAQLIS-WCQYABFASA-N 1 3 208.349 1.955 20 0 BDADHO CN1CC[C@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000866585429 589502303 /nfs/dbraw/zinc/50/23/03/589502303.db2.gz XYWIALXVWAQLIS-WCQYABFASA-N 1 3 208.349 1.955 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661390 589508615 /nfs/dbraw/zinc/50/86/15/589508615.db2.gz OPOFHXXTVJGYDS-GXTWGEPZSA-N 1 3 240.391 1.909 20 0 BDADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000867987283 589542660 /nfs/dbraw/zinc/54/26/60/589542660.db2.gz JENVDILCFWJHDX-SCVCMEIPSA-N 1 3 245.326 1.159 20 0 BDADHO C[C@@H](C[NH3+])C(=O)N1c2ccccc2[C@@H](N)C1(C)C ZINC000867988466 589542822 /nfs/dbraw/zinc/54/28/22/589542822.db2.gz MHHMONQKUBNLRX-JOYOIKCWSA-N 1 3 247.342 1.406 20 0 BDADHO C[C@](C[NH3+])(NC[C@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141248 589881682 /nfs/dbraw/zinc/88/16/82/589881682.db2.gz AKPJMXDPQQHBHX-CHWSQXEVSA-N 1 3 238.375 1.663 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872141922 589882046 /nfs/dbraw/zinc/88/20/46/589882046.db2.gz ZPVNPLUIBVPUPA-XUXIUFHCSA-N 1 3 240.391 1.907 20 0 BDADHO Cc1conc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000872145577 589884398 /nfs/dbraw/zinc/88/43/98/589884398.db2.gz UDNGSBQOGIRBLT-LBPRGKRZSA-N 1 3 249.358 1.947 20 0 BDADHO CO[C@@H](CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CCC1 ZINC000872154206 589885281 /nfs/dbraw/zinc/88/52/81/589885281.db2.gz NKKSODFEHGIKQN-MELADBBJSA-N 1 3 238.375 1.343 20 0 BDADHO CCO[C@@H](CN1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1CC1 ZINC000872154825 589886033 /nfs/dbraw/zinc/88/60/33/589886033.db2.gz ZPFOKTGHQYAATG-MELADBBJSA-N 1 3 238.375 1.343 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873239110 590005426 /nfs/dbraw/zinc/00/54/26/590005426.db2.gz OAJFOXFOEJKBGA-YDQFZURESA-N 1 3 236.359 1.127 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239618 590005669 /nfs/dbraw/zinc/00/56/69/590005669.db2.gz ZEQKNGMYUISLOH-NNYUYHANSA-N 1 3 214.328 1.984 20 0 BDADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCCC[C@@H]1F ZINC000873239094 590006124 /nfs/dbraw/zinc/00/61/24/590006124.db2.gz NPUWUWNYYDTAOJ-GRYCIOLGSA-N 1 3 232.343 1.611 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)C1CNC1 ZINC000873249829 590007283 /nfs/dbraw/zinc/00/72/83/590007283.db2.gz CPWCZRMYMDOIPX-DGCLKSJQSA-N 1 3 238.375 1.391 20 0 BDADHO C[C@@H](N[C@@H](C)C1CC[NH2+]CC1)c1nccn1C ZINC000873271410 590016251 /nfs/dbraw/zinc/01/62/51/590016251.db2.gz HCCJTLASTHQANU-WDEREUQCSA-N 1 3 236.363 1.459 20 0 BDADHO C[C@@H](N[C@@H](C)c1ccn(C)n1)C1CC[NH2+]CC1 ZINC000873270030 590016404 /nfs/dbraw/zinc/01/64/04/590016404.db2.gz OEQZJXNQAHTCPU-MNOVXSKESA-N 1 3 236.363 1.459 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@@H]1CCOC1=O ZINC000873282255 590018570 /nfs/dbraw/zinc/01/85/70/590018570.db2.gz GODWUNFDTXEVNL-HBNTYKKESA-N 1 3 228.336 1.045 20 0 BDADHO C[C@H]([NH2+]CCC[C@H]1C=CCC1)C1CNC1 ZINC000873281154 590018588 /nfs/dbraw/zinc/01/85/88/590018588.db2.gz GFXWQJVSFNLQCU-RYUDHWBXSA-N 1 3 208.349 1.930 20 0 BDADHO Nc1cc(F)cc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000873290109 590023516 /nfs/dbraw/zinc/02/35/16/590023516.db2.gz OCGAIZVAZZFWEP-YPMHNXCESA-N 1 3 237.322 1.767 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1Cc2ccccc2CN1 ZINC000873297094 590025119 /nfs/dbraw/zinc/02/51/19/590025119.db2.gz RBZYTERIFSPTSB-YWPYICTPSA-N 1 3 247.386 1.416 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000124562929 590058744 /nfs/dbraw/zinc/05/87/44/590058744.db2.gz UJOLPGIESJWRFN-GFCCVEGCSA-N 1 3 242.363 1.023 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000124562929 590058745 /nfs/dbraw/zinc/05/87/45/590058745.db2.gz UJOLPGIESJWRFN-GFCCVEGCSA-N 1 3 242.363 1.023 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000876505073 590204458 /nfs/dbraw/zinc/20/44/58/590204458.db2.gz JZZUZHZOAGSPDN-NWDGAFQWSA-N 1 3 247.342 1.457 20 0 BDADHO CC[C@H](C(=O)N(C)C1CCC([NH3+])CC1)N(C)C ZINC000876540830 590212381 /nfs/dbraw/zinc/21/23/81/590212381.db2.gz NXRGFMWNEBABMD-HTAVTVPLSA-N 1 3 241.379 1.055 20 0 BDADHO C[NH+](C)CCCCNCc1ccc(Cl)nn1 ZINC000876988517 590265787 /nfs/dbraw/zinc/26/57/87/590265787.db2.gz FDFOHWZXWPJFDS-UHFFFAOYSA-N 1 3 242.754 1.561 20 0 BDADHO C[C@@H](C(=O)N(C)C[C@H](C)[NH3+])[C@@H](N)c1ccccc1 ZINC000877095714 590282168 /nfs/dbraw/zinc/28/21/68/590282168.db2.gz PKCBOPOKLKISIC-DMDPSCGWSA-N 1 3 249.358 1.128 20 0 BDADHO CCNCC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000877427914 590325171 /nfs/dbraw/zinc/32/51/71/590325171.db2.gz CQIUFXTYCQIVGY-NSHDSACASA-N 1 3 247.342 1.075 20 0 BDADHO CCC[C@](C)(N)C(=O)N(C)CCCCCC[NH3+] ZINC000877444152 590328840 /nfs/dbraw/zinc/32/88/40/590328840.db2.gz JPYNURQGDSDPGJ-ZDUSSCGKSA-N 1 3 243.395 1.481 20 0 BDADHO CCC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1)OC ZINC000877742893 590408482 /nfs/dbraw/zinc/40/84/82/590408482.db2.gz SCKPSIMGAVWZIX-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO CCC[C@H](C[N@H+]1CC[C@H]2[C@H](CCN2C)C1)OC ZINC000877742893 590408483 /nfs/dbraw/zinc/40/84/83/590408483.db2.gz SCKPSIMGAVWZIX-MCIONIFRSA-N 1 3 240.391 1.828 20 0 BDADHO C(C1CC2(CCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982310 590464735 /nfs/dbraw/zinc/46/47/35/590464735.db2.gz OXYPONIKKPNYLK-BETUJISGSA-N 1 3 220.360 1.718 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000128218092 590934306 /nfs/dbraw/zinc/93/43/06/590934306.db2.gz QCFIWQOXKNHPGH-RFQIPJPRSA-N 1 3 246.354 1.880 20 0 BDADHO Cc1nccn1CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880138093 590939981 /nfs/dbraw/zinc/93/99/81/590939981.db2.gz PTXCHBSUXSKZPB-KGLIPLIRSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880138093 590939985 /nfs/dbraw/zinc/93/99/85/590939985.db2.gz PTXCHBSUXSKZPB-KGLIPLIRSA-N 1 3 248.374 1.360 20 0 BDADHO COCCCN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261581 590979868 /nfs/dbraw/zinc/97/98/68/590979868.db2.gz XDIIAJRKJLAXCC-ZDUSSCGKSA-N 1 3 249.358 1.629 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1CCC2(CCC2)O1)C1CC1 ZINC000883418984 591654607 /nfs/dbraw/zinc/65/46/07/591654607.db2.gz XGOCHRQUIXXYFL-QWHCGFSZSA-N 1 3 238.375 1.805 20 0 BDADHO C(=C\C[N@@H+]1C[C@@H]2C[C@@H]2C1)\CN1C[C@@H]2C[C@@H]2C1 ZINC000886345197 592213100 /nfs/dbraw/zinc/21/31/00/592213100.db2.gz UNBVVPDDALPJSF-ZWTHYHLESA-N 1 3 218.344 1.446 20 0 BDADHO C(=C\C[N@H+]1C[C@@H]2C[C@@H]2C1)\CN1C[C@@H]2C[C@@H]2C1 ZINC000886345197 592213102 /nfs/dbraw/zinc/21/31/02/592213102.db2.gz UNBVVPDDALPJSF-ZWTHYHLESA-N 1 3 218.344 1.446 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827711 592351992 /nfs/dbraw/zinc/35/19/92/592351992.db2.gz QDPZCHJJXNODFX-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827711 592351996 /nfs/dbraw/zinc/35/19/96/592351996.db2.gz QDPZCHJJXNODFX-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827711 592351999 /nfs/dbraw/zinc/35/19/99/592351999.db2.gz QDPZCHJJXNODFX-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1N ZINC000886837322 592358125 /nfs/dbraw/zinc/35/81/25/592358125.db2.gz FCYAUPCVXIOWLR-XJFOESAGSA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)CC[C@H]1N ZINC000886837322 592358129 /nfs/dbraw/zinc/35/81/29/592358129.db2.gz FCYAUPCVXIOWLR-XJFOESAGSA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2C[C@@]23CCOC3)CC[C@H]1[NH3+] ZINC000886837322 592358135 /nfs/dbraw/zinc/35/81/35/592358135.db2.gz FCYAUPCVXIOWLR-XJFOESAGSA-N 1 3 238.375 1.472 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859731 592371436 /nfs/dbraw/zinc/37/14/36/592371436.db2.gz CJCIDXVKGNOJKX-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859731 592371439 /nfs/dbraw/zinc/37/14/39/592371439.db2.gz CJCIDXVKGNOJKX-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO COCC[C@@H](C)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872231 592378113 /nfs/dbraw/zinc/37/81/13/592378113.db2.gz NDRCXIIROMPVGA-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO COC[C@@H](C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132860 592448696 /nfs/dbraw/zinc/44/86/96/592448696.db2.gz OTEFBLZVQZEAIV-CHWSQXEVSA-N 1 3 249.358 1.627 20 0 BDADHO CO[C@H](C)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134459 592449556 /nfs/dbraw/zinc/44/95/56/592449556.db2.gz KAXHYOGAJARLKV-CHWSQXEVSA-N 1 3 249.358 1.627 20 0 BDADHO CC[C@@H]1CN(CCCCCCO)CC[C@H]1[NH3+] ZINC000300333965 592507097 /nfs/dbraw/zinc/50/70/97/592507097.db2.gz VCHLNCUGOOMGCH-CHWSQXEVSA-N 1 3 228.380 1.598 20 0 BDADHO CC[C@@H]1C[N@H+](CCCCCCO)CC[C@H]1N ZINC000300333965 592507098 /nfs/dbraw/zinc/50/70/98/592507098.db2.gz VCHLNCUGOOMGCH-CHWSQXEVSA-N 1 3 228.380 1.598 20 0 BDADHO CC[C@@H]1C[N@@H+](CCCCCCO)CC[C@H]1N ZINC000300333965 592507099 /nfs/dbraw/zinc/50/70/99/592507099.db2.gz VCHLNCUGOOMGCH-CHWSQXEVSA-N 1 3 228.380 1.598 20 0 BDADHO C[C@@H]1CN(CCCCCC[NH3+])[C@@H](C)CO1 ZINC000223223014 592522416 /nfs/dbraw/zinc/52/24/16/592522416.db2.gz ZNXHJOOTSDQJRU-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO CC[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000925704915 634385379 /nfs/dbraw/zinc/38/53/79/634385379.db2.gz IJTWOSULIQQXOO-FDYHWXHSSA-N 1 3 226.364 1.674 20 0 BDADHO CC(C)[C@H](O)CN1C[C@H](C)CC[C@H]1C[NH3+] ZINC001246027123 987326705 /nfs/dbraw/zinc/32/67/05/987326705.db2.gz WZGVOGUAUIJROI-GRYCIOLGSA-N 1 3 214.353 1.063 20 0 BDADHO C[C@H](CN[C@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024112 634439672 /nfs/dbraw/zinc/43/96/72/634439672.db2.gz BQTNZSUUZZYGOW-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[NH2+][C@H]1COCC1(C)C)CN1CCCC1 ZINC000313024112 634439679 /nfs/dbraw/zinc/43/96/79/634439679.db2.gz BQTNZSUUZZYGOW-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2COCC2(C)C)C1 ZINC000313009964 634441936 /nfs/dbraw/zinc/44/19/36/634441936.db2.gz SZRFUBPNDZCFPW-STQMWFEESA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2COCC2(C)C)C1 ZINC000313009964 634441943 /nfs/dbraw/zinc/44/19/43/634441943.db2.gz SZRFUBPNDZCFPW-STQMWFEESA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000313009964 634441946 /nfs/dbraw/zinc/44/19/46/634441946.db2.gz SZRFUBPNDZCFPW-STQMWFEESA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1CN ZINC000253198900 634531743 /nfs/dbraw/zinc/53/17/43/634531743.db2.gz BBHURMWWUXPILH-WCQYABFASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1CN ZINC000253198900 634531749 /nfs/dbraw/zinc/53/17/49/634531749.db2.gz BBHURMWWUXPILH-WCQYABFASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1C[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)O1 ZINC000925841807 635506928 /nfs/dbraw/zinc/50/69/28/635506928.db2.gz SWPHYNABLDVINQ-RKQHYHRCSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH3+])C1CCN(C/C=C/Cl)CC1 ZINC000082474968 631404842 /nfs/dbraw/zinc/40/48/42/631404842.db2.gz BLFRYMJAYWTYSO-MAHOQKISSA-N 1 3 202.729 1.798 20 0 BDADHO CCCCN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000308726497 631554548 /nfs/dbraw/zinc/55/45/48/631554548.db2.gz LTRJLBFAPWELSB-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000235095243 631978176 /nfs/dbraw/zinc/97/81/76/631978176.db2.gz UINDATKQXOYQQP-VHSXEESVSA-N 1 3 214.378 1.599 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000250558182 635699151 /nfs/dbraw/zinc/69/91/51/635699151.db2.gz BRYMXAAMAAUUIW-MCIONIFRSA-N 1 3 238.375 1.173 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000250558182 635699162 /nfs/dbraw/zinc/69/91/62/635699162.db2.gz BRYMXAAMAAUUIW-MCIONIFRSA-N 1 3 238.375 1.173 20 0 BDADHO C[C@@H](C[NH3+])NCC(C)(C)c1ccccc1 ZINC000162060076 632505869 /nfs/dbraw/zinc/50/58/69/632505869.db2.gz OPARSVWHASGLLT-NSHDSACASA-N 1 3 206.333 1.901 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CN)CCCS1 ZINC000250791485 632545733 /nfs/dbraw/zinc/54/57/33/632545733.db2.gz JIXMTYUDMHKPPU-QJPTWQEYSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@]1(C[NH3+])CCN(CCc2cccs2)C1 ZINC000235707319 632818519 /nfs/dbraw/zinc/81/85/19/632818519.db2.gz RKMORSVJYPDIEO-GFCCVEGCSA-N 1 3 224.373 1.961 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(c2ccncc2CO)C1 ZINC000126527924 635849470 /nfs/dbraw/zinc/84/94/70/635849470.db2.gz QTEQHSLUWISYHM-GFCCVEGCSA-N 1 3 235.331 1.104 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(c2ccncc2CO)C1 ZINC000892730802 633205475 /nfs/dbraw/zinc/20/54/75/633205475.db2.gz KKIYIHBAAXWVFZ-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(c2ccncc2CO)C1 ZINC000892730802 633205477 /nfs/dbraw/zinc/20/54/77/633205477.db2.gz KKIYIHBAAXWVFZ-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO CCC[C@H](C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328423287 633763731 /nfs/dbraw/zinc/76/37/31/633763731.db2.gz KQBNTMHDPNSVPN-RJRAAQABSA-N 1 3 208.349 1.761 20 0 BDADHO C1[NH2+][C@@H]2[C@H](NC3CCCCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000328567241 633776793 /nfs/dbraw/zinc/77/67/93/633776793.db2.gz NPTOLLLSTXDAIL-KYYPQDQFSA-N 1 3 220.360 1.905 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)COC(C)C)C1 ZINC000309955506 633978747 /nfs/dbraw/zinc/97/87/47/633978747.db2.gz IBIHXAOATKLVJS-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309982834 634025657 /nfs/dbraw/zinc/02/56/57/634025657.db2.gz ADCSSJBCUMGZCA-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]([NH3+])[C@@H](NC[C@@H]1CCCN1C)c1ccccc1 ZINC000925563042 634045138 /nfs/dbraw/zinc/04/51/38/634045138.db2.gz AACJZCUQYCLISH-AEGPPILISA-N 1 3 247.386 1.759 20 0 BDADHO CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925565756 634059808 /nfs/dbraw/zinc/05/98/08/634059808.db2.gz XSXYQKCQQUIVHM-OLZOCXBDSA-N 1 3 237.391 1.345 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925611577 634150248 /nfs/dbraw/zinc/15/02/48/634150248.db2.gz MZEUQAYLEZGANK-MRVWCRGKSA-N 1 3 240.391 1.515 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925701792 634376684 /nfs/dbraw/zinc/37/66/84/634376684.db2.gz FTSVTDKEGDEKLF-NDBYEHHHSA-N 1 3 238.375 1.804 20 0 BDADHO C(CNC1CC1)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126163124 635663827 /nfs/dbraw/zinc/66/38/27/635663827.db2.gz MUXKWILSYUJOHU-TXEJJXNPSA-N 1 3 208.349 1.860 20 0 BDADHO C(CNC1CC1)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000126163124 635663834 /nfs/dbraw/zinc/66/38/34/635663834.db2.gz MUXKWILSYUJOHU-TXEJJXNPSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+]Cc2cncc([O-])c2)CC[NH2+]1 ZINC000904433316 637400474 /nfs/dbraw/zinc/40/04/74/637400474.db2.gz LFCORPMGYCAMFA-GHMZBOCLSA-N 1 3 235.331 1.265 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CNCC2(C)C)CCO1 ZINC000904461275 637404212 /nfs/dbraw/zinc/40/42/12/637404212.db2.gz GXTNVEQTAQBBFQ-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+]C1(CNC2Cc3ccccc3C2)CC1 ZINC000904443512 637410356 /nfs/dbraw/zinc/41/03/56/637410356.db2.gz KAUQITHMAABHTJ-UHFFFAOYSA-N 1 3 202.301 1.235 20 0 BDADHO NC1(C[NH2+]Cc2cccc3c2NCC3)CC1 ZINC000904449056 637412943 /nfs/dbraw/zinc/41/29/43/637412943.db2.gz FJMUVGXQCSWMNF-UHFFFAOYSA-N 1 3 217.316 1.236 20 0 BDADHO [NH3+][C@H]1C[C@H](NC2Cc3ccccc3C2)C1 ZINC000906517772 638188109 /nfs/dbraw/zinc/18/81/09/638188109.db2.gz PWLKBOHZLREPRI-AULYBMBSSA-N 1 3 202.301 1.233 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC000906519333 638189255 /nfs/dbraw/zinc/18/92/55/638189255.db2.gz YPEWSRFCQNHKFH-JOCQHMNTSA-N 1 3 234.343 1.925 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000911800844 639821842 /nfs/dbraw/zinc/82/18/42/639821842.db2.gz VETQVHGGAFGPFX-WDEREUQCSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000911858467 639862034 /nfs/dbraw/zinc/86/20/34/639862034.db2.gz RODQQBQFAAZCHC-MNOVXSKESA-N 1 3 243.395 1.384 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)C[C@H](C)CC ZINC000911881403 639866976 /nfs/dbraw/zinc/86/69/76/639866976.db2.gz QXQKOOSLAAHFTP-UTUOFQBUSA-N 1 3 243.395 1.384 20 0 BDADHO C[C@H](CO)[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000157297287 640661565 /nfs/dbraw/zinc/66/15/65/640661565.db2.gz UHWHQDPSACDLKS-ZHAHWJHGSA-N 1 3 206.289 1.102 20 0 BDADHO C[N@@H+]1C[C@@H]2CN(CC3CC(F)(F)C3)C[C@]2(C)C1 ZINC000933732880 640754280 /nfs/dbraw/zinc/75/42/80/640754280.db2.gz DATFVKJADMQRLR-NEPJUHHUSA-N 1 3 244.329 1.915 20 0 BDADHO C[N@H+]1C[C@@H]2CN(CC3CC(F)(F)C3)C[C@]2(C)C1 ZINC000933732880 640754283 /nfs/dbraw/zinc/75/42/83/640754283.db2.gz DATFVKJADMQRLR-NEPJUHHUSA-N 1 3 244.329 1.915 20 0 BDADHO CSCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933736178 640756074 /nfs/dbraw/zinc/75/60/74/640756074.db2.gz RMXAJKUSJUENRT-WDEREUQCSA-N 1 3 214.378 1.233 20 0 BDADHO CSCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933736178 640756078 /nfs/dbraw/zinc/75/60/78/640756078.db2.gz RMXAJKUSJUENRT-WDEREUQCSA-N 1 3 214.378 1.233 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000227073083 640815312 /nfs/dbraw/zinc/81/53/12/640815312.db2.gz VRLUZAMIMVJPDT-CYDGBPFRSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000227212008 640821119 /nfs/dbraw/zinc/82/11/19/640821119.db2.gz RCJMYMRMARDSKV-MRVWCRGKSA-N 1 3 234.343 1.389 20 0 BDADHO CC(C)(CCO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000227909200 640853475 /nfs/dbraw/zinc/85/34/75/640853475.db2.gz PUBRMDGCJPRNHF-NWDGAFQWSA-N 1 3 228.380 1.502 20 0 BDADHO CO[C@@H]1CC[C@H]1[N@H+](C)CCCN1CCCCC1 ZINC000934119610 641082527 /nfs/dbraw/zinc/08/25/27/641082527.db2.gz XSUPHLNALRFLKJ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@@H]1CC[C@H]1[N@@H+](C)CCCN1CCCCC1 ZINC000934119610 641082530 /nfs/dbraw/zinc/08/25/30/641082530.db2.gz XSUPHLNALRFLKJ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CCCCN1CCN(CC[NH+]2CCCC2)CC1 ZINC000057621407 641145087 /nfs/dbraw/zinc/14/50/87/641145087.db2.gz KDCJGZTYFDOXAL-UHFFFAOYSA-N 1 3 239.407 1.500 20 0 BDADHO CN(CCc1cnn(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000231669699 641191235 /nfs/dbraw/zinc/19/12/35/641191235.db2.gz FMAFRVBZBRZUQA-ZDUSSCGKSA-N 1 3 236.363 1.037 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H](O)CC2CCCC2)C1 ZINC000232148405 641250549 /nfs/dbraw/zinc/25/05/49/641250549.db2.gz JMZAMOFSPQOQHK-KBPBESRZSA-N 1 3 240.391 1.598 20 0 BDADHO C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000232452158 641274176 /nfs/dbraw/zinc/27/41/76/641274176.db2.gz PFCIOJIGUTVZLG-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO CN(CCCCCCC[NH3+])Cc1cnn(C)c1 ZINC000042489414 641554577 /nfs/dbraw/zinc/55/45/77/641554577.db2.gz YGVBRUIEJXSHSJ-UHFFFAOYSA-N 1 3 238.379 1.761 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000723122566 711506118 /nfs/dbraw/zinc/50/61/18/711506118.db2.gz QSQFDQZFABLETF-QNWHQSFQSA-N 1 3 210.365 1.949 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000723122566 711506119 /nfs/dbraw/zinc/50/61/19/711506119.db2.gz QSQFDQZFABLETF-QNWHQSFQSA-N 1 3 210.365 1.949 20 0 BDADHO CC[C@@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000129088073 642454994 /nfs/dbraw/zinc/45/49/94/642454994.db2.gz WAXMIPWXQFZZDW-GFCCVEGCSA-N 1 3 241.379 1.152 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CCC2)C1(C)C ZINC000233782992 642694595 /nfs/dbraw/zinc/69/45/95/642694595.db2.gz HEWGKXKIYRYGRK-GHMZBOCLSA-N 1 3 226.364 1.661 20 0 BDADHO COCC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000069633112 642887496 /nfs/dbraw/zinc/88/74/96/642887496.db2.gz ITJOITXTBAAVKF-YPMHNXCESA-N 1 3 226.364 1.200 20 0 BDADHO [NH3+]C[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000070499605 643029562 /nfs/dbraw/zinc/02/95/62/643029562.db2.gz FDYMIDLQPHHAME-ZDUSSCGKSA-N 1 3 230.355 1.956 20 0 BDADHO [NH3+]C[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000070499604 643030566 /nfs/dbraw/zinc/03/05/66/643030566.db2.gz FDYMIDLQPHHAME-CYBMUJFWSA-N 1 3 230.355 1.956 20 0 BDADHO CN1CCN(C[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000082483736 643321218 /nfs/dbraw/zinc/32/12/18/643321218.db2.gz GEJIUTIDKQXZGU-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCC(F)(F)F ZINC000084221743 643650001 /nfs/dbraw/zinc/65/00/01/643650001.db2.gz OHOBDVDHXPMXTQ-HTQZYQBOSA-N 1 3 210.243 1.656 20 0 BDADHO Cc1nc(CNCC[C@@H]2CC[NH2+]C2)cs1 ZINC000084385323 643661463 /nfs/dbraw/zinc/66/14/63/643661463.db2.gz MVLBWGRPYOCIJN-JTQLQIEISA-N 1 3 225.361 1.541 20 0 BDADHO C[C@@H](NC[C@@H]1CC[C@H]([NH3+])C1)c1nccs1 ZINC000085016158 643680088 /nfs/dbraw/zinc/68/00/88/643680088.db2.gz JDVYBYDDFMSCQG-BBBLOLIVSA-N 1 3 225.361 1.921 20 0 BDADHO C[C@@H](CC[NH2+]Cc1cc[nH]c(=O)c1)N(C)C ZINC000922255918 643926272 /nfs/dbraw/zinc/92/62/72/643926272.db2.gz YUWRBBMPBWPHFF-JTQLQIEISA-N 1 3 223.320 1.217 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000923281608 644315588 /nfs/dbraw/zinc/31/55/88/644315588.db2.gz QGCMHXWGKKCCHC-GJZGRUSLSA-N 1 3 248.370 1.261 20 0 BDADHO CCCCOC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923296530 644335550 /nfs/dbraw/zinc/33/55/50/644335550.db2.gz UTQGKODEXWXLLO-OLZOCXBDSA-N 1 3 246.395 1.127 20 0 BDADHO C(CNC1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000923305182 644342321 /nfs/dbraw/zinc/34/23/21/644342321.db2.gz VBGINPCFZCGEQL-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000923305182 644342326 /nfs/dbraw/zinc/34/23/26/644342326.db2.gz VBGINPCFZCGEQL-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO C(C[NH2+]C1CC1)CN(C[C@H]1CCOC1)C1CC1 ZINC000923305182 644342329 /nfs/dbraw/zinc/34/23/29/644342329.db2.gz VBGINPCFZCGEQL-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO CCCCCC[C@@H](O)CN(C)C1CC([NH3+])C1 ZINC000923360559 644384842 /nfs/dbraw/zinc/38/48/42/644384842.db2.gz CINQHGFOVXEDOK-WXRRBKDZSA-N 1 3 228.380 1.739 20 0 BDADHO CN(CCC[NH2+]C1CC1)CCCn1ccnc1 ZINC000923389136 644403361 /nfs/dbraw/zinc/40/33/61/644403361.db2.gz TVXCEENWLOPNEH-UHFFFAOYSA-N 1 3 236.363 1.347 20 0 BDADHO C[C@H](c1ccccc1)N1CCNCC[NH2+]CC1 ZINC000923463918 644449464 /nfs/dbraw/zinc/44/94/64/644449464.db2.gz IVUSHAPPEFKFBK-CYBMUJFWSA-N 1 3 233.359 1.242 20 0 BDADHO Cc1cnc([C@@H](C)N2CC[C@@H](CC[NH3+])C2)o1 ZINC000923482227 644460317 /nfs/dbraw/zinc/46/03/17/644460317.db2.gz XVWXWEGMZCIVTJ-GHMZBOCLSA-N 1 3 223.320 1.715 20 0 BDADHO CCOC(=O)[C@H](CC)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496347 644461537 /nfs/dbraw/zinc/46/15/37/644461537.db2.gz HMVDQEBVHKXWBM-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO CC(C)(C)[C@@H]1C[C@H]1[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923516007 644479676 /nfs/dbraw/zinc/47/96/76/644479676.db2.gz QMWMCXSQZOMNCN-UMSGYPCISA-N 1 3 222.376 1.962 20 0 BDADHO CC(C)(C)[C@@H]1C[C@H]1[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000923516007 644479680 /nfs/dbraw/zinc/47/96/80/644479680.db2.gz QMWMCXSQZOMNCN-UMSGYPCISA-N 1 3 222.376 1.962 20 0 BDADHO C[C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000253193468 644942821 /nfs/dbraw/zinc/94/28/21/644942821.db2.gz OQJWCQZFKBXCLG-BPLDGKMQSA-N 1 3 248.370 1.637 20 0 BDADHO C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)C1CNC1 ZINC000844926636 645350300 /nfs/dbraw/zinc/35/03/00/645350300.db2.gz ZWOHHPCNPFDODU-INTQDDNPSA-N 1 3 234.746 1.889 20 0 BDADHO CN1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000132049331 645852240 /nfs/dbraw/zinc/85/22/40/645852240.db2.gz FSGVHGZVTFPSMO-LEWSCRJBSA-N 1 3 231.343 1.425 20 0 BDADHO COCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925500792 645943318 /nfs/dbraw/zinc/94/33/18/645943318.db2.gz FJBJJGWWXKGGRD-OLZOCXBDSA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)CC[NH+]1CCC(NC[C@H](C)O)CC1 ZINC000924527004 646048755 /nfs/dbraw/zinc/04/87/55/646048755.db2.gz JHEMZQCGNOCZMC-LBPRGKRZSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)N1CCC([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000925302232 646234566 /nfs/dbraw/zinc/23/45/66/646234566.db2.gz ACXJPSZIVMCZMX-GFCCVEGCSA-N 1 3 248.374 2.000 20 0 BDADHO C1CC1[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925492827 646299675 /nfs/dbraw/zinc/29/96/75/646299675.db2.gz IIYQQHLOCHWNMW-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](O)CC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925499620 646304427 /nfs/dbraw/zinc/30/44/27/646304427.db2.gz RLZMDCBZYXVGCF-FPMFFAJLSA-N 1 3 240.391 1.515 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN([C@@H](CC)CO)C1 ZINC000929777108 646304941 /nfs/dbraw/zinc/30/49/41/646304941.db2.gz AIENVEDEIDPKKG-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN([C@@H](CC)CO)C1 ZINC000929777108 646304945 /nfs/dbraw/zinc/30/49/45/646304945.db2.gz AIENVEDEIDPKKG-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925510338 646308194 /nfs/dbraw/zinc/30/81/94/646308194.db2.gz UZNVRUWGBQKIGY-OLZOCXBDSA-N 1 3 237.391 1.345 20 0 BDADHO C[C@@H](CCCO)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925553484 646330740 /nfs/dbraw/zinc/33/07/40/646330740.db2.gz SQVBIQNSRWYNDJ-QNWHQSFQSA-N 1 3 240.391 1.514 20 0 BDADHO Cc1noc(C)c1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925556933 646334319 /nfs/dbraw/zinc/33/43/19/646334319.db2.gz NACBIUVQRWNJHH-QWHCGFSZSA-N 1 3 249.358 1.693 20 0 BDADHO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925597671 646350702 /nfs/dbraw/zinc/35/07/02/646350702.db2.gz RAUOFEMLOFRTDX-GHMZBOCLSA-N 1 3 208.349 1.907 20 0 BDADHO CCC1(O)CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925617547 646365686 /nfs/dbraw/zinc/36/56/86/646365686.db2.gz XAUIPKJSCQUPJQ-ZIHBUVQPSA-N 1 3 240.391 1.800 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)[C@@H]1CCCO1 ZINC000925626288 646371633 /nfs/dbraw/zinc/37/16/33/646371633.db2.gz PJBJDEDSXMOKRK-WUHRBBMRSA-N 1 3 238.375 1.804 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H]1CCNC12CCC2 ZINC000925638823 646381967 /nfs/dbraw/zinc/38/19/67/646381967.db2.gz GODGHJNSXUPSCD-LBPRGKRZSA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925646970 646386437 /nfs/dbraw/zinc/38/64/37/646386437.db2.gz YNMACCAQSUVXRF-ZRUFSTJUSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646970 646386441 /nfs/dbraw/zinc/38/64/41/646386441.db2.gz YNMACCAQSUVXRF-ZRUFSTJUSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@H](O)CCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925657844 646392393 /nfs/dbraw/zinc/39/23/93/646392393.db2.gz QAVDYTYXKFYPFR-CYDGBPFRSA-N 1 3 240.391 1.514 20 0 BDADHO c1nc2c([nH]1)C[C@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000925668935 646400705 /nfs/dbraw/zinc/40/07/05/646400705.db2.gz MHWSARBFNNNVDE-MFKMUULPSA-N 1 3 246.358 1.141 20 0 BDADHO c1nc2c([nH]1)CC[C@@H](N[C@H]1CC[NH2+]C13CCC3)C2 ZINC000925668935 646400706 /nfs/dbraw/zinc/40/07/06/646400706.db2.gz MHWSARBFNNNVDE-MFKMUULPSA-N 1 3 246.358 1.141 20 0 BDADHO C[C@@H](CCO)CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925677791 646406616 /nfs/dbraw/zinc/40/66/16/646406616.db2.gz AVMFAIAWKIZSFU-VXGBXAGGSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@@H](CCCO)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925680767 646409429 /nfs/dbraw/zinc/40/94/29/646409429.db2.gz UBKHLSICSHWPIN-NWDGAFQWSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925680769 646409546 /nfs/dbraw/zinc/40/95/46/646409546.db2.gz UBKHLSICSHWPIN-VXGBXAGGSA-N 1 3 226.364 1.269 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925683599 646411638 /nfs/dbraw/zinc/41/16/38/646411638.db2.gz TUFLZSQTAABHMF-WYUUTHIRSA-N 1 3 224.348 1.413 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925691711 646418199 /nfs/dbraw/zinc/41/81/99/646418199.db2.gz IOSKBTZDDZYBLG-WRWGMCAJSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccnnc1 ZINC000925702473 646427571 /nfs/dbraw/zinc/42/75/71/646427571.db2.gz ADAGHMJFIULBEV-LLVKDONJSA-N 1 3 232.331 1.389 20 0 BDADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccnnc1 ZINC000925702473 646427575 /nfs/dbraw/zinc/42/75/75/646427575.db2.gz ADAGHMJFIULBEV-LLVKDONJSA-N 1 3 232.331 1.389 20 0 BDADHO CC1(C)C[C@@H](NC/C=C/CO)C[C@@H]([NH3+])C1 ZINC000925710356 646434209 /nfs/dbraw/zinc/43/42/09/646434209.db2.gz WTQMKBNMIKBNEC-YHROSDCASA-N 1 3 212.337 1.031 20 0 BDADHO C1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CN1 ZINC000925717865 646442651 /nfs/dbraw/zinc/44/26/51/646442651.db2.gz IKDLSDAPGWVDFN-YVECIDJPSA-N 1 3 224.348 1.143 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925735778 646460200 /nfs/dbraw/zinc/46/02/00/646460200.db2.gz IGGVJNAPVMNBMO-SRVKXCTJSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC[C@H]1CC(C)(C)CO1 ZINC000925775736 646474533 /nfs/dbraw/zinc/47/45/33/646474533.db2.gz RSZCZQDTTRAJSB-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCC2(F)F)[C@H](C)O1 ZINC000925775248 646475629 /nfs/dbraw/zinc/47/56/29/646475629.db2.gz DVOARNWFXYSUAQ-YTWAJWBKSA-N 1 3 248.317 1.387 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@H](C)O1 ZINC000925775246 646476256 /nfs/dbraw/zinc/47/62/56/646476256.db2.gz DVOARNWFXYSUAQ-RCWTZXSCSA-N 1 3 248.317 1.387 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000925779207 646477406 /nfs/dbraw/zinc/47/74/06/646477406.db2.gz ICESJGGNPANLAT-DHGKCCLASA-N 1 3 238.375 1.389 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000925782449 646479654 /nfs/dbraw/zinc/47/96/54/646479654.db2.gz GMTSIWIUCGXEIC-IJLUTSLNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1nccn1C ZINC000925796239 646486650 /nfs/dbraw/zinc/48/66/50/646486650.db2.gz JRTDSSIESWXKJW-IJLUTSLNSA-N 1 3 236.363 1.316 20 0 BDADHO Cc1cc([C@@H](C)NCC[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000925803627 646488973 /nfs/dbraw/zinc/48/89/73/646488973.db2.gz SDXYMVOAIRPTOK-YUSALJHKSA-N 1 3 237.347 1.879 20 0 BDADHO C[C@@H](NCCN1CCC([NH3+])CC1)c1ccccn1 ZINC000925815957 646492732 /nfs/dbraw/zinc/49/27/32/646492732.db2.gz UZYIYEUZXSGXLV-GFCCVEGCSA-N 1 3 248.374 1.155 20 0 BDADHO CC1CCN(CCN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396602883 711702658 /nfs/dbraw/zinc/70/26/58/711702658.db2.gz NYNLALBWAKTKMN-UONOGXRCSA-N 1 3 239.407 1.448 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H]([C@H](C)N)C1)C(C)C ZINC000721910919 711917426 /nfs/dbraw/zinc/91/74/26/711917426.db2.gz GPFONMATMDQTCT-XQQFMLRXSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H]([C@H](C)N)C1)C(C)C ZINC000721910919 711917428 /nfs/dbraw/zinc/91/74/28/711917428.db2.gz GPFONMATMDQTCT-XQQFMLRXSA-N 1 3 228.380 1.574 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H](COC)C(C)C ZINC000721916600 711918823 /nfs/dbraw/zinc/91/88/23/711918823.db2.gz YWFNKKPMVKKQHU-LBPRGKRZSA-N 1 3 216.369 1.446 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CCSC1)N(C)C ZINC000700508762 711995519 /nfs/dbraw/zinc/99/55/19/711995519.db2.gz YLWHJXMYYYZGDK-ZJUUUORDSA-N 1 3 202.367 1.422 20 0 BDADHO CC1(C)CO[C@H](CN2CC[C@@H](C[NH3+])C2)C1 ZINC000708341334 712189072 /nfs/dbraw/zinc/18/90/72/712189072.db2.gz RTXCRTWXVFGUII-QWRGUYRKSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](CN(C)C[C@H](O)C[NH3+])CC(C)(C)C ZINC000709133227 712209953 /nfs/dbraw/zinc/20/99/53/712209953.db2.gz YMHTUMKOUQUNEM-WDEREUQCSA-N 1 3 216.369 1.310 20 0 BDADHO CCN1CC[C@@H](N(C)CCCCCC[NH3+])C1=O ZINC000710804331 712257242 /nfs/dbraw/zinc/25/72/42/712257242.db2.gz NKTLVBQWUSEOGS-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CCN1CC[C@H]1C[NH2+]C1CCN(CC)CC1 ZINC000712555779 712445455 /nfs/dbraw/zinc/44/54/55/712445455.db2.gz HHSXXLMKWIWZFO-ZDUSSCGKSA-N 1 3 225.380 1.155 20 0 BDADHO CN(C[C@@H]1CC[C@H](C2CC2)O1)CC(C)(C)C[NH3+] ZINC000715511591 712524438 /nfs/dbraw/zinc/52/44/38/712524438.db2.gz SLRJWRRBVSBLLX-QWHCGFSZSA-N 1 3 240.391 1.861 20 0 BDADHO CN(CCCF)C[C@@H]1CCCC[NH2+]C1 ZINC000716809923 712575963 /nfs/dbraw/zinc/57/59/63/712575963.db2.gz UBDRNEYFUJPQQE-LLVKDONJSA-N 1 3 202.317 1.668 20 0 BDADHO COC[C@H](CN1C[C@H]([NH3+])C[C@H]1C)C(C)C ZINC000721917000 710692541 /nfs/dbraw/zinc/69/25/41/710692541.db2.gz HDPRWQHSSZTKHC-GRYCIOLGSA-N 1 3 214.353 1.327 20 0 BDADHO C[C@@H]1C[C@H](NCCOC2CCC2)CC[N@@H+]1C ZINC000390593264 711128500 /nfs/dbraw/zinc/12/85/00/711128500.db2.gz ZUWWFTUNGIMEIT-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@H](NCCOC2CCC2)CC[N@H+]1C ZINC000390593264 711128503 /nfs/dbraw/zinc/12/85/03/711128503.db2.gz ZUWWFTUNGIMEIT-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO CCCCOCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396638315 711361173 /nfs/dbraw/zinc/36/11/73/711361173.db2.gz LZUUOTHJXCEISR-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO COCCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000396580107 711357896 /nfs/dbraw/zinc/35/78/96/711357896.db2.gz FAQYQUOZNONOTB-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396594435 711359486 /nfs/dbraw/zinc/35/94/86/711359486.db2.gz DSGDQLDOXJCSGB-SRVKXCTJSA-N 1 3 228.380 1.514 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C)[C@H]2CCN)C1 ZINC000721962815 710693640 /nfs/dbraw/zinc/69/36/40/710693640.db2.gz OTXNXOXRTOGFQK-IGQOVBAYSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C)[C@H]2CCN)C1 ZINC000721962815 710693642 /nfs/dbraw/zinc/69/36/42/710693642.db2.gz OTXNXOXRTOGFQK-IGQOVBAYSA-N 1 3 240.391 1.861 20 0 BDADHO C(C[NH2+]C1CC1)CN1CCN(C2CCC2)CC1 ZINC000393256628 711156034 /nfs/dbraw/zinc/15/60/34/711156034.db2.gz NQQLUSFHJGWPAS-UHFFFAOYSA-N 1 3 237.391 1.299 20 0 BDADHO CCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)COC1 ZINC000396705442 711366544 /nfs/dbraw/zinc/36/65/44/711366544.db2.gz JCKKCYKUPOWCMF-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO C1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CN1 ZINC000723628326 711527159 /nfs/dbraw/zinc/52/71/59/711527159.db2.gz IKDLSDAPGWVDFN-LOWDOPEQSA-N 1 3 224.348 1.143 20 0 BDADHO CN(C[C@@H]1CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082545715 711716818 /nfs/dbraw/zinc/71/68/18/711716818.db2.gz KBAPCZLUZXITHJ-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000229588976 711838529 /nfs/dbraw/zinc/83/85/29/711838529.db2.gz XTBGDNCUMRMMET-HBNTYKKESA-N 1 3 246.445 1.552 20 0 BDADHO CCN(C[C@@H]1CCCO1)C[C@H]1CCCC[NH2+]C1 ZINC000700383381 711991554 /nfs/dbraw/zinc/99/15/54/711991554.db2.gz IXRPVFBVGBJIOQ-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700788965 712005193 /nfs/dbraw/zinc/00/51/93/712005193.db2.gz SKVTVEUBXNAZTB-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(CC[C@@H]1CCCCO1)C2 ZINC000702111321 712039001 /nfs/dbraw/zinc/03/90/01/712039001.db2.gz PZCAXKMJSLMZQU-MELADBBJSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000702670289 712057912 /nfs/dbraw/zinc/05/79/12/712057912.db2.gz VPFZYUAPFSYBGL-SNVBAGLBSA-N 1 3 222.336 1.450 20 0 BDADHO COC1CC(C[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)C1 ZINC000703870372 712091706 /nfs/dbraw/zinc/09/17/06/712091706.db2.gz DVWSGUXTMKOSGO-IGYKFCIQSA-N 1 3 240.391 1.717 20 0 BDADHO COC1CC(C[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)C1 ZINC000703870372 712091707 /nfs/dbraw/zinc/09/17/07/712091707.db2.gz DVWSGUXTMKOSGO-IGYKFCIQSA-N 1 3 240.391 1.717 20 0 BDADHO CC(C)CCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000703998011 712098981 /nfs/dbraw/zinc/09/89/81/712098981.db2.gz KMKZXMULKQKQSO-CHWSQXEVSA-N 1 3 210.365 1.964 20 0 BDADHO CC[C@H](O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705661420 712135234 /nfs/dbraw/zinc/13/52/34/712135234.db2.gz ZZAKUFFYOFMEAL-AVGNSLFASA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H]1CN(C[C@@H](O)c2ccccc2)C[C@H]1C[NH3+] ZINC000708813955 712199360 /nfs/dbraw/zinc/19/93/60/712199360.db2.gz GMZYKURPMVGZOP-MRVWCRGKSA-N 1 3 234.343 1.247 20 0 BDADHO C[C@@H]1CN(Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH3+] ZINC000708859011 712201158 /nfs/dbraw/zinc/20/11/58/712201158.db2.gz SVTAQJMCUAKMBO-ZWNOBZJWSA-N 1 3 244.342 1.590 20 0 BDADHO CN(C)C1(C)CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000709776910 712226429 /nfs/dbraw/zinc/22/64/29/712226429.db2.gz YBBVIBBYKBNEFU-CHWSQXEVSA-N 1 3 240.391 1.706 20 0 BDADHO CC[C@@H]1COC[C@H]1NC[C@@H](C)C[NH+](C)C ZINC000711075131 712279042 /nfs/dbraw/zinc/27/90/42/712279042.db2.gz OZTHGTJNVVOIPF-IJLUTSLNSA-N 1 3 214.353 1.199 20 0 BDADHO CC[C@H]1COC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000711105699 712280906 /nfs/dbraw/zinc/28/09/06/712280906.db2.gz CZGCUNRSOLPHCD-RYUDHWBXSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)CN(C)C ZINC000378907095 712367221 /nfs/dbraw/zinc/36/72/21/712367221.db2.gz ZQEFCAFWKBNHEK-QNWHQSFQSA-N 1 3 210.365 1.962 20 0 BDADHO CN(CCCOC(F)(F)F)CC(C)(C)C[NH3+] ZINC000713402699 712459086 /nfs/dbraw/zinc/45/90/86/712459086.db2.gz ANMDPAGXUZWRJP-UHFFFAOYSA-N 1 3 242.285 1.830 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715115878 712510494 /nfs/dbraw/zinc/51/04/94/712510494.db2.gz QYAMETMYWMYPKB-RYUDHWBXSA-N 1 3 242.363 1.069 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNC[C@H]2COC(C)(C)O2)C1 ZINC000715115878 712510495 /nfs/dbraw/zinc/51/04/95/712510495.db2.gz QYAMETMYWMYPKB-RYUDHWBXSA-N 1 3 242.363 1.069 20 0 BDADHO CC[N@H+]1CC[C@@H](CNC[C@H]2COC(C)(C)O2)C1 ZINC000715115878 712510496 /nfs/dbraw/zinc/51/04/96/712510496.db2.gz QYAMETMYWMYPKB-RYUDHWBXSA-N 1 3 242.363 1.069 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203543 712514128 /nfs/dbraw/zinc/51/41/28/712514128.db2.gz DXJRFMCURKLRJZ-QWHCGFSZSA-N 1 3 249.358 1.750 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715509176 712524247 /nfs/dbraw/zinc/52/42/47/712524247.db2.gz MIUQNUNEVZQLKV-IACUBPJLSA-N 1 3 238.375 1.615 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295175 712553609 /nfs/dbraw/zinc/55/36/09/712553609.db2.gz RAQYSWSGQQRRSG-QWHCGFSZSA-N 1 3 238.375 1.616 20 0 BDADHO Cc1n[nH]c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1C ZINC000716463546 712562908 /nfs/dbraw/zinc/56/29/08/712562908.db2.gz NXSNFUGLXNCSFP-CABZTGNLSA-N 1 3 236.363 1.599 20 0 BDADHO Cc1n[nH]c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1C ZINC000716463554 712563089 /nfs/dbraw/zinc/56/30/89/712563089.db2.gz NXSNFUGLXNCSFP-SKDRFNHKSA-N 1 3 236.363 1.599 20 0 BDADHO CC1(C)CO[C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000717612267 712662224 /nfs/dbraw/zinc/66/22/24/712662224.db2.gz DSGYBBQMGLIHCJ-QJPTWQEYSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)CO[C@H](C[NH2+][C@@H]2C[C@@H](N)C23CCC3)C1 ZINC000717612267 712662225 /nfs/dbraw/zinc/66/22/25/712662225.db2.gz DSGYBBQMGLIHCJ-QJPTWQEYSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC[C@@H]1CC(C)(C)CO1 ZINC000717614027 712662574 /nfs/dbraw/zinc/66/25/74/712662574.db2.gz LCLSFRBJQFLHEE-DCAQKATOSA-N 1 3 226.364 1.517 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000717614027 712662575 /nfs/dbraw/zinc/66/25/75/712662575.db2.gz LCLSFRBJQFLHEE-DCAQKATOSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000717650951 712663146 /nfs/dbraw/zinc/66/31/46/712663146.db2.gz MFYXHVDDVARRRN-WCQYABFASA-N 1 3 226.364 1.519 20 0 BDADHO CN(CCCCCC[NH3+])CC(=O)N1CCCC1 ZINC000380026480 712683181 /nfs/dbraw/zinc/68/31/81/712683181.db2.gz FKWYNXPHFWYVEK-UHFFFAOYSA-N 1 3 241.379 1.060 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649014 712820806 /nfs/dbraw/zinc/82/08/06/712820806.db2.gz SDOPBEGBXYCUBE-OCCSQVGLSA-N 1 3 239.407 1.543 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)c2ccccc2)C1 ZINC000250822022 712834558 /nfs/dbraw/zinc/83/45/58/712834558.db2.gz TVUGDJLBDSZHKU-MCIONIFRSA-N 1 3 234.343 1.580 20 0 BDADHO CN(C[C@@H]1C[C@@H]2CCC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000720876199 712872589 /nfs/dbraw/zinc/87/25/89/712872589.db2.gz ZJNNZLKODSESOO-AVGNSLFASA-N 1 3 240.391 1.861 20 0 BDADHO CN(C[C@@H]1C[C@H]2CCC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000720876200 712872683 /nfs/dbraw/zinc/87/26/83/712872683.db2.gz ZJNNZLKODSESOO-FRRDWIJNSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720875883 712873046 /nfs/dbraw/zinc/87/30/46/712873046.db2.gz XYCXBTIIDFWRDX-MQLXINIDSA-N 1 3 238.375 1.613 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720875841 712873099 /nfs/dbraw/zinc/87/30/99/712873099.db2.gz XOGANUQSBBYDFX-ZDEQEGDKSA-N 1 3 224.348 1.225 20 0 BDADHO CN(C)Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001164412780 718876641 /nfs/dbraw/zinc/87/66/41/718876641.db2.gz YZNPSUFLQRZMDU-CHWSQXEVSA-N 1 3 246.358 1.084 20 0 BDADHO CCc1nc(CNC[C@H]2C[C@@H]([NH3+])C2)cs1 ZINC000693590544 958903564 /nfs/dbraw/zinc/90/35/64/958903564.db2.gz CIBMFHHNABYUIJ-DTORHVGOSA-N 1 3 225.361 1.532 20 0 BDADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000694851572 960015637 /nfs/dbraw/zinc/01/56/37/960015637.db2.gz KOBDBRHKSAIDMH-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](C)(O)CC2)CCN1 ZINC000709492773 960627272 /nfs/dbraw/zinc/62/72/72/960627272.db2.gz CPLOXASMGQDDCM-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@](C)(O)CC2)CCN1 ZINC000709492773 960627284 /nfs/dbraw/zinc/62/72/84/960627284.db2.gz CPLOXASMGQDDCM-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](O)C[NH3+] ZINC001168150153 963869530 /nfs/dbraw/zinc/86/95/30/963869530.db2.gz RHKHAXQRKNZWSN-CABZTGNLSA-N 1 3 242.750 1.180 20 0 BDADHO CN1CCC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C1 ZINC001224701145 964886424 /nfs/dbraw/zinc/88/64/24/964886424.db2.gz CZBUEFKQVDPKJK-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@@H](OC[C@@H]2CCCC[N@H+]2C)C1 ZINC001224701145 964886428 /nfs/dbraw/zinc/88/64/28/964886428.db2.gz CZBUEFKQVDPKJK-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CC1(C[NH3+])CN(C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206710939 966185789 /nfs/dbraw/zinc/18/57/89/966185789.db2.gz BJJXCCZGGAXSHN-QJPTWQEYSA-N 1 3 206.333 1.479 20 0 BDADHO CC1(CN)C[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001206710939 966185804 /nfs/dbraw/zinc/18/58/04/966185804.db2.gz BJJXCCZGGAXSHN-QJPTWQEYSA-N 1 3 206.333 1.479 20 0 BDADHO CCC[NH+]1C[C@@H]2CN(CC(C)(C)O)C[C@H]2C1 ZINC001252355452 968631539 /nfs/dbraw/zinc/63/15/39/968631539.db2.gz IJHLCBYSRDBWJR-VXGBXAGGSA-N 1 3 226.364 1.031 20 0 BDADHO NCc1cccc(-c2ccc(C[NH3+])cc2)n1 ZINC001241912174 969142104 /nfs/dbraw/zinc/14/21/04/969142104.db2.gz YNGNNNZMJPRQQP-UHFFFAOYSA-N 1 3 213.284 1.666 20 0 BDADHO CCOC(C)(C)C[NH+]1CCC(N(C)C)CC1 ZINC001209069296 969345619 /nfs/dbraw/zinc/34/56/19/969345619.db2.gz HOYNWEVMJWSWMS-UHFFFAOYSA-N 1 3 228.380 1.828 20 0 BDADHO CC(C)[C@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001253766148 969385838 /nfs/dbraw/zinc/38/58/38/969385838.db2.gz BUJDLQNSPIEOCL-GFCCVEGCSA-N 1 3 226.364 1.031 20 0 BDADHO COC(=O)C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109047 969445928 /nfs/dbraw/zinc/44/59/28/969445928.db2.gz HBRKLHSCNUHNKV-YFKTTZPYSA-N 1 3 240.347 1.153 20 0 BDADHO COC(=O)C[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169109047 969445931 /nfs/dbraw/zinc/44/59/31/969445931.db2.gz HBRKLHSCNUHNKV-YFKTTZPYSA-N 1 3 240.347 1.153 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2CCC[N@H+](C)CC2)n1 ZINC001254506011 969672436 /nfs/dbraw/zinc/67/24/36/969672436.db2.gz NLRCCNDLGTWHEM-MNOVXSKESA-N 1 3 222.336 1.560 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506011 969672448 /nfs/dbraw/zinc/67/24/48/969672448.db2.gz NLRCCNDLGTWHEM-MNOVXSKESA-N 1 3 222.336 1.560 20 0 BDADHO CN([C@H]1CCOC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522050 969695485 /nfs/dbraw/zinc/69/54/85/969695485.db2.gz BCOUGOBFKZCYOA-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO CN([C@H]1CCOC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522050 969695488 /nfs/dbraw/zinc/69/54/88/969695488.db2.gz BCOUGOBFKZCYOA-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO C[C@H](CN)C[N@H+](C)C1Cc2ccccc2C1 ZINC001255014712 969847357 /nfs/dbraw/zinc/84/73/57/969847357.db2.gz HUTASIHDAIEFTB-LLVKDONJSA-N 1 3 218.344 1.680 20 0 BDADHO C[C@H](CN)C[N@@H+](C)C1Cc2ccccc2C1 ZINC001255014712 969847360 /nfs/dbraw/zinc/84/73/60/969847360.db2.gz HUTASIHDAIEFTB-LLVKDONJSA-N 1 3 218.344 1.680 20 0 BDADHO C[C@H](C[NH3+])CN(C)C1Cc2ccccc2C1 ZINC001255014712 969847363 /nfs/dbraw/zinc/84/73/63/969847363.db2.gz HUTASIHDAIEFTB-LLVKDONJSA-N 1 3 218.344 1.680 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)COC)C[C@@H]2C1 ZINC001255582932 970388553 /nfs/dbraw/zinc/38/85/53/970388553.db2.gz FCMQKXMUKNAGKQ-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2C1 ZINC001255582932 970388558 /nfs/dbraw/zinc/38/85/58/970388558.db2.gz FCMQKXMUKNAGKQ-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)n1cncc1CN ZINC001255940798 970570221 /nfs/dbraw/zinc/57/02/21/970570221.db2.gz GTWNXPCVDRWDFG-LLVKDONJSA-N 1 3 224.352 1.635 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@@H](O)CC1 ZINC001255942800 970579177 /nfs/dbraw/zinc/57/91/77/970579177.db2.gz BEARMQITGWZNDU-MCIONIFRSA-N 1 3 242.407 2.000 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCC1COC1 ZINC001255945454 970578612 /nfs/dbraw/zinc/57/86/12/970578612.db2.gz GDDRGXGVKNDXAQ-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956007 970595006 /nfs/dbraw/zinc/59/50/06/970595006.db2.gz FOZBWKRBFPCVJB-MCIONIFRSA-N 1 3 242.407 1.952 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001255956007 970595014 /nfs/dbraw/zinc/59/50/14/970595014.db2.gz FOZBWKRBFPCVJB-MCIONIFRSA-N 1 3 242.407 1.952 20 0 BDADHO CCCN1CCN(C2CC[NH+](C)CC2)CC1 ZINC001256207347 970710141 /nfs/dbraw/zinc/71/01/41/970710141.db2.gz FNMHVCMERIIAIM-UHFFFAOYSA-N 1 3 225.380 1.108 20 0 BDADHO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 ZINC001173638776 975497426 /nfs/dbraw/zinc/49/74/26/975497426.db2.gz ZQWBEQAESDNGLO-UZEXVOJHSA-N 1 3 240.347 1.188 20 0 BDADHO CN(CCCC[NH3+])Cc1ccc(Cl)nc1 ZINC001235962217 979231179 /nfs/dbraw/zinc/23/11/79/979231179.db2.gz HUSHFAIZYBTRJW-UHFFFAOYSA-N 1 3 227.739 1.906 20 0 BDADHO C[C@@H]1NC[C@H](C)N(C(=O)CCC(C)(C)[NH3+])[C@H]1C ZINC001341763629 979546884 /nfs/dbraw/zinc/54/68/84/979546884.db2.gz FYMKVHFTKRTYMZ-DCAQKATOSA-N 1 3 241.379 1.101 20 0 BDADHO CN(C)CCC[N@@H+](C)CCOc1ccccc1 ZINC000336711436 982085532 /nfs/dbraw/zinc/08/55/32/982085532.db2.gz MJZHTGUQSLQNDJ-UHFFFAOYSA-N 1 3 236.359 1.949 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC001199842935 983027279 /nfs/dbraw/zinc/02/72/79/983027279.db2.gz JNRWPRJZKMAPQZ-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@H](O)CNC1CC[NH+](CC2CCCC2)CC1 ZINC001251973717 983060401 /nfs/dbraw/zinc/06/04/01/983060401.db2.gz IYUGSIWIGPCEST-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[NH2+]C1CCN(CC2CCCC2)CC1 ZINC001251973717 983060406 /nfs/dbraw/zinc/06/04/06/983060406.db2.gz IYUGSIWIGPCEST-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO CCOCC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001172433891 974719067 /nfs/dbraw/zinc/71/90/67/974719067.db2.gz SLLQIFQTWPASGP-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)OCC[C@H](C)[NH2+]C1CC(N)C1 ZINC001172442129 974802268 /nfs/dbraw/zinc/80/22/68/974802268.db2.gz IEKBBJWUFXIFKQ-WHXUTIOJSA-N 1 3 200.326 1.269 20 0 BDADHO CC(C)OCC[C@H](C)NC1CC([NH3+])C1 ZINC001172442129 974802271 /nfs/dbraw/zinc/80/22/71/974802271.db2.gz IEKBBJWUFXIFKQ-WHXUTIOJSA-N 1 3 200.326 1.269 20 0 BDADHO CCCCN1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246793406 973094634 /nfs/dbraw/zinc/09/46/34/973094634.db2.gz YQUDHPMQXLIMPG-KBPBESRZSA-N 1 3 239.407 1.545 20 0 BDADHO CCc1nc(CNC2CCC(C[NH3+])CC2)co1 ZINC001329022317 973433991 /nfs/dbraw/zinc/43/39/91/973433991.db2.gz DFXFMJOWBBKMMN-UHFFFAOYSA-N 1 3 237.347 1.844 20 0 BDADHO C[N@H+](C1CC1)C1CCC(N2CCOCC2)CC1 ZINC001256688516 970920759 /nfs/dbraw/zinc/92/07/59/970920759.db2.gz CPPJBQCEEVRQSL-UHFFFAOYSA-N 1 3 238.375 1.724 20 0 BDADHO C[N@@H+](C1CC1)C1CCC(N2CCOCC2)CC1 ZINC001256688516 970920766 /nfs/dbraw/zinc/92/07/66/970920766.db2.gz CPPJBQCEEVRQSL-UHFFFAOYSA-N 1 3 238.375 1.724 20 0 BDADHO C(=C/C1CC[NH2+]CC1)\c1ncc2c(n1)CCNC2 ZINC001243892354 971018232 /nfs/dbraw/zinc/01/82/32/971018232.db2.gz JCAFIJFIGJUHNI-OWOJBTEDSA-N 1 3 244.342 1.135 20 0 BDADHO CCOC(=O)[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC001257048301 971073753 /nfs/dbraw/zinc/07/37/53/971073753.db2.gz UCRRSLXKCVIGKF-WHOHXGKFSA-N 1 3 240.347 1.188 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2C[C@](C)(O)C2)CC1 ZINC001257205217 971125139 /nfs/dbraw/zinc/12/51/39/971125139.db2.gz ICTLPLKCXFKBBU-JOCQHMNTSA-N 1 3 226.364 1.362 20 0 BDADHO CC[N@H+](C1CN(C)C1)C1CCN(C(C)C)CC1 ZINC001257224167 971133306 /nfs/dbraw/zinc/13/33/06/971133306.db2.gz QRDNYUTVOIZHGQ-UHFFFAOYSA-N 1 3 239.407 1.495 20 0 BDADHO CC[N@@H+](C1CN(C)C1)C1CCN(C(C)C)CC1 ZINC001257224167 971133311 /nfs/dbraw/zinc/13/33/11/971133311.db2.gz QRDNYUTVOIZHGQ-UHFFFAOYSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@H](O)C[C@H]2C)CC1 ZINC001257217831 971135242 /nfs/dbraw/zinc/13/52/42/971135242.db2.gz PDEJDPZZVKOPIZ-OCCSQVGLSA-N 1 3 240.391 1.704 20 0 BDADHO CCC[C@@H](CC)[NH+]1CCN(CCN(C)C)CC1 ZINC001257256776 971151892 /nfs/dbraw/zinc/15/18/92/971151892.db2.gz KPCVABJZRHYVMW-CQSZACIVSA-N 1 3 241.423 1.744 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@@H](N)C12CCC2)[C@H](C)O ZINC000405237102 971214419 /nfs/dbraw/zinc/21/44/19/971214419.db2.gz FGDYUZJBMLLUDK-UKKRHICBSA-N 1 3 212.337 1.005 20 0 BDADHO CCC[C@@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001257320233 971219564 /nfs/dbraw/zinc/21/95/64/971219564.db2.gz HYMDXTUYIYOCKA-CYBMUJFWSA-N 1 3 229.412 1.600 20 0 BDADHO C[C@H](Nc1cc[nH+]c(C2CC2)c1)[C@H]1CNCCO1 ZINC001170572873 971224292 /nfs/dbraw/zinc/22/42/92/971224292.db2.gz IERDNVBDSXRSTD-IINYFYTJSA-N 1 3 247.342 1.748 20 0 BDADHO CS[C@H](C)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405318364 971230001 /nfs/dbraw/zinc/23/00/01/971230001.db2.gz QFGPJFPRVKGKJV-BBBLOLIVSA-N 1 3 214.378 1.597 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405368046 971242260 /nfs/dbraw/zinc/24/22/60/971242260.db2.gz XMVUSVCQPMEJKK-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](COC)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405368046 971242268 /nfs/dbraw/zinc/24/22/68/971242268.db2.gz XMVUSVCQPMEJKK-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CCCO2)C12CCC2 ZINC000405506320 971263456 /nfs/dbraw/zinc/26/34/56/971263456.db2.gz RXYURRRVNDAPGO-HBNTYKKESA-N 1 3 210.321 1.025 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCO2)C12CCC2 ZINC000405506320 971263468 /nfs/dbraw/zinc/26/34/68/971263468.db2.gz RXYURRRVNDAPGO-HBNTYKKESA-N 1 3 210.321 1.025 20 0 BDADHO CCCCOC(=O)CC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001257381148 971296447 /nfs/dbraw/zinc/29/64/47/971296447.db2.gz JCEIZUXDCBSVKJ-RYUDHWBXSA-N 1 3 244.379 1.683 20 0 BDADHO CCCCOC(=O)CC[C@H](C)NC[C@@H](C)C[NH3+] ZINC001257381148 971296455 /nfs/dbraw/zinc/29/64/55/971296455.db2.gz JCEIZUXDCBSVKJ-RYUDHWBXSA-N 1 3 244.379 1.683 20 0 BDADHO C[C@H]1[C@H](C)OC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000405712789 971297799 /nfs/dbraw/zinc/29/77/99/971297799.db2.gz GUKMMQQBDHDRPY-SDDRHHMPSA-N 1 3 228.380 1.587 20 0 BDADHO C[C@@H]1OC[C@@H](NCC(C)(C)C[NH+](C)C)[C@@H]1C ZINC000405712787 971298192 /nfs/dbraw/zinc/29/81/92/971298192.db2.gz GUKMMQQBDHDRPY-GRYCIOLGSA-N 1 3 228.380 1.587 20 0 BDADHO CC1(C)N[C@@H](CO[C@H]2CC[NH2+]C(C)(C)C2)CO1 ZINC001217936261 971539023 /nfs/dbraw/zinc/53/90/23/971539023.db2.gz DMNQBDHXNXUVBZ-QWRGUYRKSA-N 1 3 242.363 1.258 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2c1CNC2 ZINC001217967136 971552804 /nfs/dbraw/zinc/55/28/04/971552804.db2.gz BERLNWIWWNCGAM-RNCFNFMXSA-N 1 3 218.300 1.277 20 0 BDADHO c1cc2c(c(O[C@@H]3CCC4(C[NH2+]C4)C3)c1)CNC2 ZINC001218237828 971648333 /nfs/dbraw/zinc/64/83/33/971648333.db2.gz MHNGLECRPLCFQW-GFCCVEGCSA-N 1 3 244.338 1.811 20 0 BDADHO c1cc2c(c(O[C@H]3C[C@H]4[NH2+]CC[C@H]4C3)c1)CNC2 ZINC001218251116 971651269 /nfs/dbraw/zinc/65/12/69/971651269.db2.gz QOCNBWHRPUQESV-ZKYQVNSYSA-N 1 3 244.338 1.809 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1CNC2 ZINC001218411755 971781945 /nfs/dbraw/zinc/78/19/45/971781945.db2.gz AOTMHAZXUDSFJM-MFKMUULPSA-N 1 3 232.327 1.667 20 0 BDADHO CC(C)(N)C(C)(C)[NH2+][C@H]1COC(C)(C)C1 ZINC001172279814 974511910 /nfs/dbraw/zinc/51/19/10/974511910.db2.gz PLXOSLSWXXLILD-SECBINFHSA-N 1 3 214.353 1.659 20 0 BDADHO C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@H]1CNCCO1 ZINC001159488189 971912523 /nfs/dbraw/zinc/91/25/23/971912523.db2.gz ATWLAIKLPWSSHT-BXKDBHETSA-N 1 3 246.314 1.352 20 0 BDADHO Cc1ccc(C)c(N[C@@H](N)CCC[NH3+])c1 ZINC001170897958 972056129 /nfs/dbraw/zinc/05/61/29/972056129.db2.gz AARUADANTSUJSU-GFCCVEGCSA-N 1 3 207.321 1.739 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1cccc(-n2cccc2)c1 ZINC001170899258 972062220 /nfs/dbraw/zinc/06/22/20/972062220.db2.gz IVKGQATVXBGOEB-CQSZACIVSA-N 1 3 244.342 1.913 20 0 BDADHO Cc1nc2[nH]ccc2cc1N[C@@H](N)CCC[NH3+] ZINC001170900340 972063156 /nfs/dbraw/zinc/06/31/56/972063156.db2.gz KHKWDPBGAXZKHI-LLVKDONJSA-N 1 3 233.319 1.259 20 0 BDADHO Cc1cc(N[C@H](N)CCC[NH3+])ccc1N(C)C ZINC001170904832 972080914 /nfs/dbraw/zinc/08/09/14/972080914.db2.gz QIHBXGOGICPOCG-ZDUSSCGKSA-N 1 3 236.363 1.497 20 0 BDADHO N[C@H](CCC[NH3+])N[C@@H](F)c1ccnc(Cl)c1 ZINC001159784467 972111321 /nfs/dbraw/zinc/11/13/21/972111321.db2.gz JBRDUKWUOSLBHW-VHSXEESVSA-N 1 3 246.717 1.316 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@H+](C[C@H](O)c2ccccc2)C1 ZINC001246025833 972120201 /nfs/dbraw/zinc/12/02/01/972120201.db2.gz UUIIYEYNIARZEN-SNPRPXQTSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC001246025833 972120207 /nfs/dbraw/zinc/12/02/07/972120207.db2.gz UUIIYEYNIARZEN-SNPRPXQTSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001246025834 972120324 /nfs/dbraw/zinc/12/03/24/972120324.db2.gz UUIIYEYNIARZEN-VHDGCEQUSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]1CC[C@@H](CN)[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001246025834 972120331 /nfs/dbraw/zinc/12/03/31/972120331.db2.gz UUIIYEYNIARZEN-VHDGCEQUSA-N 1 3 248.370 1.779 20 0 BDADHO C1CN2CCC1C[C@H](N[C@H]1CCCC[NH2+]C1)C2 ZINC001246091921 972145820 /nfs/dbraw/zinc/14/58/20/972145820.db2.gz RAAYMROMBLYENU-KBPBESRZSA-N 1 3 237.391 1.202 20 0 BDADHO CC(C)COCC[C@@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246110675 972174904 /nfs/dbraw/zinc/17/49/04/972174904.db2.gz MWGLYBDRFOKHJZ-AGIUHOORSA-N 1 3 246.370 1.727 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@H]1CCC[NH2+][C@@H]1C ZINC001246115379 972183358 /nfs/dbraw/zinc/18/33/58/972183358.db2.gz YPYJWTRUUDOVNE-MGPQQGTHSA-N 1 3 247.386 1.990 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCc2cccc(O)c2)CCN1 ZINC001246156667 972198168 /nfs/dbraw/zinc/19/81/68/972198168.db2.gz BDYCQGXEHVQLPC-AAEUAGOBSA-N 1 3 234.343 1.665 20 0 BDADHO C[C@H]1C[C@@H](NCCc2cccc(O)c2)CC[NH2+]1 ZINC001246156667 972198177 /nfs/dbraw/zinc/19/81/77/972198177.db2.gz BDYCQGXEHVQLPC-AAEUAGOBSA-N 1 3 234.343 1.665 20 0 BDADHO C[C@@H]1C[C@@H](O)CC[N@H+]1CCCN1CCCCC1 ZINC000705393636 957201128 /nfs/dbraw/zinc/20/11/28/957201128.db2.gz KTPCIJGBPHZVSH-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]1C[C@@H](O)CC[N@@H+]1CCCN1CCCCC1 ZINC000705393636 957201113 /nfs/dbraw/zinc/20/11/13/957201113.db2.gz KTPCIJGBPHZVSH-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC[C@H]1[NH3+] ZINC000693392871 958354510 /nfs/dbraw/zinc/35/45/10/958354510.db2.gz LZPHQNXVEWFLHJ-RMPHRYRLSA-N 1 3 244.329 1.947 20 0 BDADHO C[C@H]1CC[C@H](NCC2CC(F)(F)C2)C[NH2+]1 ZINC000399005653 958483556 /nfs/dbraw/zinc/48/35/56/958483556.db2.gz XVGCFUMGXGSNCV-WPRPVWTQSA-N 1 3 218.291 1.762 20 0 BDADHO OCCCN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222154204 972395843 /nfs/dbraw/zinc/39/58/43/972395843.db2.gz IIICUGHKZIRHGC-CQSZACIVSA-N 1 3 240.391 1.615 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCOC(F)(F)F)C12CCC2 ZINC000405213134 959416208 /nfs/dbraw/zinc/41/62/08/959416208.db2.gz DQBUPWICOBKETH-HTQZYQBOSA-N 1 3 238.253 1.382 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246530838 972436636 /nfs/dbraw/zinc/43/66/36/972436636.db2.gz OHZZDCHYDNHMRR-RYUDHWBXSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246530838 972436642 /nfs/dbraw/zinc/43/66/42/972436642.db2.gz OHZZDCHYDNHMRR-RYUDHWBXSA-N 1 3 214.353 1.613 20 0 BDADHO CC1(C)N[C@H](CO[C@@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877859 959697578 /nfs/dbraw/zinc/69/75/78/959697578.db2.gz DFWFEOWTKSXTIX-GHMZBOCLSA-N 1 3 242.363 1.116 20 0 BDADHO CC(=O)[C@@H]1CCC[N@H+]1CC1CCN(C)CC1 ZINC001207403388 959862152 /nfs/dbraw/zinc/86/21/52/959862152.db2.gz UACCZDZMHWYFOU-ZDUSSCGKSA-N 1 3 224.348 1.382 20 0 BDADHO CC(=O)[C@@H]1CCC[N@@H+]1CC1CCN(C)CC1 ZINC001207403388 959862156 /nfs/dbraw/zinc/86/21/56/959862156.db2.gz UACCZDZMHWYFOU-ZDUSSCGKSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@H]1CN ZINC000708884852 960077318 /nfs/dbraw/zinc/07/73/18/960077318.db2.gz VHXCIGDHIZAEPV-SMDDNHRTSA-N 1 3 230.355 1.680 20 0 BDADHO C[C@H]1C[N@H+](C2Cc3ccccc3C2)C[C@H]1CN ZINC000708884852 960077335 /nfs/dbraw/zinc/07/73/35/960077335.db2.gz VHXCIGDHIZAEPV-SMDDNHRTSA-N 1 3 230.355 1.680 20 0 BDADHO CC(C)OC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000695111050 960104024 /nfs/dbraw/zinc/10/40/24/960104024.db2.gz LSPAZQFULDMJDI-OLZOCXBDSA-N 1 3 240.391 1.731 20 0 BDADHO NCC(C[NH3+])NCc1cccc2ccccc21 ZINC000695327294 960202274 /nfs/dbraw/zinc/20/22/74/960202274.db2.gz ALOMGGWUPHWPSA-UHFFFAOYSA-N 1 3 229.327 1.215 20 0 BDADHO C[NH2+]CCNc1ccncc1-c1ccccc1 ZINC001167723894 960233562 /nfs/dbraw/zinc/23/35/62/960233562.db2.gz FGFWLGQQJSBLML-UHFFFAOYSA-N 1 3 227.311 1.802 20 0 BDADHO CC[C@H](O)CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692581782 960307849 /nfs/dbraw/zinc/30/78/49/960307849.db2.gz WFIIEEJOEHFGLW-RHYQMDGZSA-N 1 3 214.353 1.205 20 0 BDADHO C[C@H]1CCCCN1CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925549980 960325262 /nfs/dbraw/zinc/32/52/62/960325262.db2.gz JYNBHWZWBURKAV-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN(c3ccnc(CO)c3)C2)C1 ZINC000310901618 960482364 /nfs/dbraw/zinc/48/23/64/960482364.db2.gz BCQISAISWLHAFX-CQSZACIVSA-N 1 3 247.342 1.106 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN(c3ccnc(CO)c3)C2)C1 ZINC000310901618 960482378 /nfs/dbraw/zinc/48/23/78/960482378.db2.gz BCQISAISWLHAFX-CQSZACIVSA-N 1 3 247.342 1.106 20 0 BDADHO c1nc2cc[nH]cc-2c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140806370 960607419 /nfs/dbraw/zinc/60/74/19/960607419.db2.gz HMQFAQYKHCDFBR-GFCCVEGCSA-N 1 3 242.326 1.453 20 0 BDADHO c1nc2cc[nH]cc-2c1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001140806370 960607426 /nfs/dbraw/zinc/60/74/26/960607426.db2.gz HMQFAQYKHCDFBR-GFCCVEGCSA-N 1 3 242.326 1.453 20 0 BDADHO Cc1nc(N2CC[NH2+][C@H](C)C2)cc2[nH]ccc21 ZINC001156692590 963438827 /nfs/dbraw/zinc/43/88/27/963438827.db2.gz UPKQEAIXWLCDQU-SECBINFHSA-N 1 3 230.315 1.669 20 0 BDADHO Cc1cnc(N2CCC[C@@H]([NH3+])[C@H]2C)cc1N ZINC001157742928 963712519 /nfs/dbraw/zinc/71/25/19/963712519.db2.gz GIRYPBOAYLHLOP-NXEZZACHSA-N 1 3 220.320 1.288 20 0 BDADHO CCC1(Nc2cc(CN(C)C)ccn2)C[NH2+]C1 ZINC001157787779 963725113 /nfs/dbraw/zinc/72/51/13/963725113.db2.gz OJMKNPRAYKTQLZ-UHFFFAOYSA-N 1 3 234.347 1.307 20 0 BDADHO Cc1cnc(-n2ccc([C@H](C)N)n2)c(C[NH3+])c1 ZINC001158351031 963854302 /nfs/dbraw/zinc/85/43/02/963854302.db2.gz SBBNIJKBUXMTAC-VIFPVBQESA-N 1 3 231.303 1.054 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872145062 963882572 /nfs/dbraw/zinc/88/25/72/963882572.db2.gz NQOZBXAAHJPZHH-VOAKCMCISA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@@H]1CN(c2nc(C)cc3[nH]ccc32)C[C@@H]1[NH3+] ZINC001158710745 963905048 /nfs/dbraw/zinc/90/50/48/963905048.db2.gz JSNVUJXNAHEXAY-CMPLNLGQSA-N 1 3 246.314 1.034 20 0 BDADHO Cc1nc2ccc(N[C@H]3C[NH2+]CC[C@H]3F)cc2[nH]1 ZINC001168226693 964005697 /nfs/dbraw/zinc/00/56/97/964005697.db2.gz MYPMDJZLCMMHDW-MFKMUULPSA-N 1 3 248.305 1.983 20 0 BDADHO C[C@@H]([NH3+])CCNc1ccc(CN(C)C2CC2)cn1 ZINC001159779198 964191810 /nfs/dbraw/zinc/19/18/10/964191810.db2.gz WIESIAHZXIQMSO-LLVKDONJSA-N 1 3 248.374 1.825 20 0 BDADHO C[C@@H]([NH3+])CCNc1ncccc1CN1CCCC1 ZINC001159780061 964197470 /nfs/dbraw/zinc/19/74/70/964197470.db2.gz OXFZAHKSSVVLJK-GFCCVEGCSA-N 1 3 248.374 1.827 20 0 BDADHO CN(C)Cc1ccnc(NCC(C)(C)[NH3+])c1 ZINC001160031768 964241068 /nfs/dbraw/zinc/24/10/68/964241068.db2.gz IDJCTVLGNFZNLW-UHFFFAOYSA-N 1 3 222.336 1.292 20 0 BDADHO NCc1ccc(Nc2cc(N)cc[nH+]2)cn1 ZINC001160397202 964289021 /nfs/dbraw/zinc/28/90/21/964289021.db2.gz RXMTXKONCLWAAL-UHFFFAOYSA-N 1 3 215.260 1.261 20 0 BDADHO CO[C@H]1CN(C2CCC([NH+](C)C)CC2)C[C@@H]1F ZINC001168315699 964422607 /nfs/dbraw/zinc/42/26/07/964422607.db2.gz ZZAAHOROOPAHLE-TYUFSLCMSA-N 1 3 244.354 1.528 20 0 BDADHO COC1(C)CN(C2CCC([NH+](C)C)CC2)C1 ZINC001168315056 964424997 /nfs/dbraw/zinc/42/49/97/964424997.db2.gz QJTMXTBCJKZVNV-UHFFFAOYSA-N 1 3 226.364 1.580 20 0 BDADHO CN1CC(C[NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168359543 964543774 /nfs/dbraw/zinc/54/37/74/964543774.db2.gz BPJHSXRVCWWKRH-UHFFFAOYSA-N 1 3 237.391 1.012 20 0 BDADHO C[C@H](CC[NH2+]C1CCOCC1)N(C)C ZINC000697869450 964594024 /nfs/dbraw/zinc/59/40/24/964594024.db2.gz HGWNSBVCHQPZBT-SNVBAGLBSA-N 1 3 200.326 1.095 20 0 BDADHO C[C@H](CC[NH2+]C[C@@H]1CCSC1)N(C)C ZINC000697873160 964600700 /nfs/dbraw/zinc/60/07/00/964600700.db2.gz UCHPWALQMLUFQY-MNOVXSKESA-N 1 3 216.394 1.669 20 0 BDADHO C[C@@H](CCNC[C@@H]1CCC=CO1)[NH+](C)C ZINC000697877621 964602099 /nfs/dbraw/zinc/60/20/99/964602099.db2.gz CCZZVLPGPCBZLG-RYUDHWBXSA-N 1 3 212.337 1.609 20 0 BDADHO C[NH+](C)CCNc1c[nH]cc2ccnc1-2 ZINC001161668288 964674541 /nfs/dbraw/zinc/67/45/41/964674541.db2.gz BFWSWROINMEGEK-UHFFFAOYSA-N 1 3 204.277 1.536 20 0 BDADHO C[NH+](C)CCNc1cncc2cc[nH]c21 ZINC001161668288 964674547 /nfs/dbraw/zinc/67/45/47/964674547.db2.gz BFWSWROINMEGEK-UHFFFAOYSA-N 1 3 204.277 1.536 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CCOC(C)(C)C1)N(C)C ZINC000697908899 964675963 /nfs/dbraw/zinc/67/59/63/964675963.db2.gz NVHXFAXEQJHNIL-NEPJUHHUSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H](C[NH+](C)C)Nc1ccc(CN(C)C)cn1 ZINC001163771824 965578081 /nfs/dbraw/zinc/57/80/81/965578081.db2.gz GLEFCHULBOZKBA-LLVKDONJSA-N 1 3 236.363 1.505 20 0 BDADHO Cc1ccc2c(c1)nccc2N(CC[NH3+])CCO ZINC001163839932 965607240 /nfs/dbraw/zinc/60/72/40/965607240.db2.gz UMQSZWQKKHAXTQ-UHFFFAOYSA-N 1 3 245.326 1.301 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CC(N(C)C)C2)[nH+]1 ZINC001163940891 965649991 /nfs/dbraw/zinc/64/99/91/965649991.db2.gz YWGGQCGDFDSTEJ-UHFFFAOYSA-N 1 3 230.315 1.622 20 0 BDADHO Cc1[nH+]c(N2CC(N(C)C)C2)cc2[nH]ccc21 ZINC001163940051 965652085 /nfs/dbraw/zinc/65/20/85/965652085.db2.gz AHSXDORVZWPVIX-UHFFFAOYSA-N 1 3 230.315 1.622 20 0 BDADHO Cc1cc(CN)nn1-c1ccc2c(c1)C[NH2+]C2 ZINC001163985595 965680850 /nfs/dbraw/zinc/68/08/50/965680850.db2.gz XJWNKWLLOUSIQV-UHFFFAOYSA-N 1 3 228.299 1.243 20 0 BDADHO Cc1c2[nH]cnc2ccc1N1CC[C@@H]([NH3+])C1 ZINC001164281740 965826441 /nfs/dbraw/zinc/82/64/41/965826441.db2.gz LWFGXGHTWMFSNB-SECBINFHSA-N 1 3 216.288 1.409 20 0 BDADHO C[C@@H]1COC[C@@H]1NCC[C@@H]1CCCC[N@@H+]1C ZINC000699741640 966054759 /nfs/dbraw/zinc/05/47/59/966054759.db2.gz KUNPUXJKZQZATL-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1COC[C@@H]1NCC[C@@H]1CCCC[N@H+]1C ZINC000699741640 966054775 /nfs/dbraw/zinc/05/47/75/966054775.db2.gz KUNPUXJKZQZATL-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@@H]2COC[C@H]2C)CC1 ZINC000699804788 966096121 /nfs/dbraw/zinc/09/61/21/966096121.db2.gz IIMCICXDNASSMV-TZMCWYRMSA-N 1 3 240.391 1.731 20 0 BDADHO [NH3+]CCCCN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001204847550 967195711 /nfs/dbraw/zinc/19/57/11/967195711.db2.gz CGGYHVKUNCJOGB-VXGBXAGGSA-N 1 3 224.348 1.559 20 0 BDADHO CN(C)c1ccc(CN2CCC(C[NH3+])CC2)cn1 ZINC001205041337 967304735 /nfs/dbraw/zinc/30/47/35/967304735.db2.gz TYAUOXOLCUQVMA-UHFFFAOYSA-N 1 3 248.374 1.318 20 0 BDADHO [NH3+]CC1CCN(Cc2cc3ccoc3cn2)CC1 ZINC001205047452 967305991 /nfs/dbraw/zinc/30/59/91/967305991.db2.gz UKOMWIFBBHTFQD-UHFFFAOYSA-N 1 3 245.326 1.999 20 0 BDADHO [NH3+]CC1CC[NH+](Cc2occc2[S-])CC1 ZINC001205053911 967306084 /nfs/dbraw/zinc/30/60/84/967306084.db2.gz UVUXFDPDOUISQW-UHFFFAOYSA-N 1 3 226.345 1.739 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccnc3[nH]ccc32)CC1 ZINC001205109709 967351267 /nfs/dbraw/zinc/35/12/67/967351267.db2.gz JSZRYRJFCHRQPG-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO Nc1ccccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205124431 967370819 /nfs/dbraw/zinc/37/08/19/967370819.db2.gz RHLZTASBCPLZSF-LBPRGKRZSA-N 1 3 219.332 1.582 20 0 BDADHO C[C@H]1CN(Cc2ccc3n[nH]cc3c2)C[C@H]1C[NH3+] ZINC001205140274 967387762 /nfs/dbraw/zinc/38/77/62/967387762.db2.gz FDSYGAOJAAFYQC-GXFFZTMASA-N 1 3 244.342 1.590 20 0 BDADHO C[C@H]1CN(Cc2ccc3n2CCC3)C[C@H]1C[NH3+] ZINC001205155976 967400934 /nfs/dbraw/zinc/40/09/34/967400934.db2.gz KPQSWJGQHBAGBS-NWDGAFQWSA-N 1 3 233.359 1.461 20 0 BDADHO C[C@@]1([NH3+])CCCN(Cc2cc[nH]c2)CC1 ZINC001205273016 967467272 /nfs/dbraw/zinc/46/72/72/967467272.db2.gz CILSDGJKOOXAGF-GFCCVEGCSA-N 1 3 207.321 1.718 20 0 BDADHO C[C@@H]1CCN(Cc2cn(C)cn2)CC[C@H]1C[NH3+] ZINC001205602636 967720062 /nfs/dbraw/zinc/72/00/62/967720062.db2.gz KUCNJDUXZGVSEK-NEPJUHHUSA-N 1 3 236.363 1.227 20 0 BDADHO Cc1cccnc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001205807700 967832756 /nfs/dbraw/zinc/83/27/56/967832756.db2.gz UUVZUAZLSGDNMT-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1cc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)no1 ZINC001205996086 967947804 /nfs/dbraw/zinc/94/78/04/967947804.db2.gz UOEJNXXVKBXDRU-ZYHUDNBSSA-N 1 3 237.347 1.790 20 0 BDADHO COc1ccc2c(c1)CN(C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000693559374 968070204 /nfs/dbraw/zinc/07/02/04/968070204.db2.gz KZJYRGJCTJXVNP-GSJFWJNXSA-N 1 3 232.327 1.748 20 0 BDADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CC(C)C ZINC001142714767 968278482 /nfs/dbraw/zinc/27/84/82/968278482.db2.gz CGSPJUDCAVNFAW-UHFFFAOYSA-N 1 3 242.367 1.096 20 0 BDADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458366 968317850 /nfs/dbraw/zinc/31/78/50/968317850.db2.gz YPHOMGXKAWJBQP-RWMBFGLXSA-N 1 3 228.380 1.454 20 0 BDADHO CCCC[C@H](CC)C[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001206458366 968317864 /nfs/dbraw/zinc/31/78/64/968317864.db2.gz YPHOMGXKAWJBQP-RWMBFGLXSA-N 1 3 228.380 1.454 20 0 BDADHO CCCC[NH+]1CCC(N(C)C[C@H](O)CC)CC1 ZINC001251782693 968324377 /nfs/dbraw/zinc/32/43/77/968324377.db2.gz OJTVIWZPZVBBKW-CQSZACIVSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@H](Cc1ccno1)NCC[C@H](C)[NH+](C)C ZINC001206838287 968493832 /nfs/dbraw/zinc/49/38/32/968493832.db2.gz NGYPOOKXDJJPOC-MNOVXSKESA-N 1 3 225.336 1.535 20 0 BDADHO CCC[NH+]1C[C@H]2CN(CC(C)(C)O)C[C@@H]2C1 ZINC001252355447 968633051 /nfs/dbraw/zinc/63/30/51/968633051.db2.gz IJHLCBYSRDBWJR-RYUDHWBXSA-N 1 3 226.364 1.031 20 0 BDADHO C[NH+]1CCC(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001207395266 968752125 /nfs/dbraw/zinc/75/21/25/968752125.db2.gz ROLFPZNOWFSEJT-AVGNSLFASA-N 1 3 226.339 1.618 20 0 BDADHO Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)cc(N(C)C)n1 ZINC001154977105 968830698 /nfs/dbraw/zinc/83/06/98/968830698.db2.gz MSYOQEOMOKVPJY-WDEREUQCSA-N 1 3 249.362 1.533 20 0 BDADHO CN1CC2(C1)CC[NH+](CCCn1cccn1)CC2 ZINC001208076902 968979878 /nfs/dbraw/zinc/97/98/78/968979878.db2.gz CEZKLWQQSMZVEF-UHFFFAOYSA-N 1 3 248.374 1.301 20 0 BDADHO C[NH+]1CCC(C)(CN2CCOCC2(C)C)CC1 ZINC001208114416 969008707 /nfs/dbraw/zinc/00/87/07/969008707.db2.gz VSDJQTRPJOHINZ-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH+](C)CC1(CN2CC[C@@H](O)C2)CCCC1 ZINC001208181964 969114900 /nfs/dbraw/zinc/11/49/00/969114900.db2.gz FQDOFPWEINITRA-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CCC(CC)C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253383264 969145694 /nfs/dbraw/zinc/14/56/94/969145694.db2.gz CPXKOGYHRUSTNE-LBPRGKRZSA-N 1 3 230.396 1.761 20 0 BDADHO CC1CC(NC[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253385235 969148578 /nfs/dbraw/zinc/14/85/78/969148578.db2.gz XKJMULIFXGTTQZ-ILDUYXDCSA-N 1 3 214.353 1.124 20 0 BDADHO CN1CCC[C@@H](C[N@@H+]2CCOCC2(C)C)C1 ZINC001208605477 969159233 /nfs/dbraw/zinc/15/92/33/969159233.db2.gz ALQMAYQEUGFJEP-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC[C@@H](C[N@H+]2CCOCC2(C)C)C1 ZINC001208605477 969159239 /nfs/dbraw/zinc/15/92/39/969159239.db2.gz ALQMAYQEUGFJEP-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001253409132 969163684 /nfs/dbraw/zinc/16/36/84/969163684.db2.gz OUGSPFRVFDIVGX-NEPJUHHUSA-N 1 3 242.407 1.904 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618296 969176879 /nfs/dbraw/zinc/17/68/79/969176879.db2.gz VUKIUBOYSFXKRD-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2C[C@@H]3CCO[C@@H]3C2)C1 ZINC001208618296 969176884 /nfs/dbraw/zinc/17/68/84/969176884.db2.gz VUKIUBOYSFXKRD-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO [NH3+][C@H]1CCN(c2ncccc2CN2CCCC2)C1 ZINC001156233376 969268364 /nfs/dbraw/zinc/26/83/64/969268364.db2.gz QXGPSVBVXXZVJD-ZDUSSCGKSA-N 1 3 246.358 1.215 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3CC(C3)C1)C2 ZINC001169153653 969475885 /nfs/dbraw/zinc/47/58/85/969475885.db2.gz KTCZFQOJHNBXHS-MOIJGLSHSA-N 1 3 220.360 1.953 20 0 BDADHO CC[NH+]1CCC(n2ccc([C@@H](C)N)n2)CC1 ZINC001169231193 969504792 /nfs/dbraw/zinc/50/47/92/969504792.db2.gz WFVOSXPJYGIVJD-SNVBAGLBSA-N 1 3 222.336 1.560 20 0 BDADHO C[C@H](N)c1ccn(-c2ccc([C@H](C)[NH3+])nc2)n1 ZINC001169236391 969523716 /nfs/dbraw/zinc/52/37/16/969523716.db2.gz CTBZHEJUGJDUEK-IUCAKERBSA-N 1 3 231.303 1.307 20 0 BDADHO C[C@H](N)c1ccn(-c2cccc3c2CC[C@@H]3[NH3+])n1 ZINC001169235757 969525573 /nfs/dbraw/zinc/52/55/73/969525573.db2.gz ZMTXSCLWFTUIOV-CABZTGNLSA-N 1 3 242.326 1.838 20 0 BDADHO CC[NH+]1CCC(N2CC(C)(N(C)C)C2)CC1 ZINC001169266198 969525582 /nfs/dbraw/zinc/52/55/82/969525582.db2.gz UISVUADFFDAUDI-UHFFFAOYSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H]1CN(Cc2c[nH+]ccc2N)CCCO1 ZINC001209727058 969579164 /nfs/dbraw/zinc/57/91/64/969579164.db2.gz IYYDZAJVGKTHKT-SNVBAGLBSA-N 1 3 221.304 1.105 20 0 BDADHO CN1CCC[C@H]([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC001254497842 969661629 /nfs/dbraw/zinc/66/16/29/969661629.db2.gz OGZWIIFXONFDIS-NWDGAFQWSA-N 1 3 238.331 1.387 20 0 BDADHO CN1CCC[C@@H]([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001254511518 969682910 /nfs/dbraw/zinc/68/29/10/969682910.db2.gz BKKYRXVMZKGOHF-GRYCIOLGSA-N 1 3 230.327 1.187 20 0 BDADHO Cc1nc2c(n1[C@H]1CCC[N@@H+](C)CC1)CNCC2 ZINC001254528816 969721427 /nfs/dbraw/zinc/72/14/27/969721427.db2.gz IBZKABZNAXEWGY-LBPRGKRZSA-N 1 3 248.374 1.494 20 0 BDADHO Cc1nc2c(n1[C@H]1CCC[N@H+](C)CC1)CNCC2 ZINC001254528816 969721440 /nfs/dbraw/zinc/72/14/40/969721440.db2.gz IBZKABZNAXEWGY-LBPRGKRZSA-N 1 3 248.374 1.494 20 0 BDADHO CC(=O)N1CCC[C@H]([NH2+]C(C)(C)C(C)(C)N)C1 ZINC001169587798 969787402 /nfs/dbraw/zinc/78/74/02/969787402.db2.gz UEMGWDUNCBDPEF-NSHDSACASA-N 1 3 241.379 1.103 20 0 BDADHO CCCN1C[C@H]2C[NH+](C3CCOCC3)C[C@@H]2C1 ZINC001255047143 969865706 /nfs/dbraw/zinc/86/57/06/969865706.db2.gz KLLYWGRCQOPMSA-STQMWFEESA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@@H](n2nc(CN)c3ccccc32)C1 ZINC001255469525 970198367 /nfs/dbraw/zinc/19/83/67/970198367.db2.gz CJNMEPQRPUJQLR-LLVKDONJSA-N 1 3 244.342 1.762 20 0 BDADHO C[N@H+]1CCC[C@@H](n2nc(CN)c3ccccc32)C1 ZINC001255469525 970198371 /nfs/dbraw/zinc/19/83/71/970198371.db2.gz CJNMEPQRPUJQLR-LLVKDONJSA-N 1 3 244.342 1.762 20 0 BDADHO C[C@H]1CC[C@@H]([NH+]2CCN(CCN(C)C)CC2)C1 ZINC001170125332 970373575 /nfs/dbraw/zinc/37/35/75/970373575.db2.gz KCERQARRUPJYGL-UONOGXRCSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@@H]1CC[C@@H]([NH+](CCN(C)C)CCN(C)C)C1 ZINC001170145697 970436511 /nfs/dbraw/zinc/43/65/11/970436511.db2.gz VVWKHJVEAQDVSL-ZIAGYGMSSA-N 1 3 241.423 1.600 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H](O)CF ZINC001255954175 970563916 /nfs/dbraw/zinc/56/39/16/970563916.db2.gz ASLRQKVGPRGEBJ-MNOVXSKESA-N 1 3 220.332 1.027 20 0 BDADHO Cc1nc(CN[C@H](C)C2CC[NH2+]CC2)cs1 ZINC000400323926 970572273 /nfs/dbraw/zinc/57/22/73/970572273.db2.gz BWZJEBRFBIUXRX-SECBINFHSA-N 1 3 239.388 1.929 20 0 BDADHO C[C@@H](NCc1nccs1)C1CC[NH2+]CC1 ZINC000400325635 970579018 /nfs/dbraw/zinc/57/90/18/970579018.db2.gz DGPYRMQTOQVROZ-SECBINFHSA-N 1 3 225.361 1.621 20 0 BDADHO C1CC1[NH+]1CCC(N2CCN3CC[C@@H]3C2)CC1 ZINC001256083363 970655204 /nfs/dbraw/zinc/65/52/04/970655204.db2.gz SWXFVJNLUHXWCF-CQSZACIVSA-N 1 3 235.375 1.003 20 0 BDADHO C[NH+]1CCC(N2CCN(C3CCC3)CC2)CC1 ZINC001256202456 970705318 /nfs/dbraw/zinc/70/53/18/970705318.db2.gz DZNZVBPVUAJKGL-UHFFFAOYSA-N 1 3 237.391 1.251 20 0 BDADHO CN1CCC[C@@H](C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000401664825 970715248 /nfs/dbraw/zinc/71/52/48/970715248.db2.gz WRIYDOFOUIUCMQ-AAEUAGOBSA-N 1 3 248.374 1.719 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000401664825 970715258 /nfs/dbraw/zinc/71/52/58/970715258.db2.gz WRIYDOFOUIUCMQ-AAEUAGOBSA-N 1 3 248.374 1.719 20 0 BDADHO C[N@H+]1CCC[C@@H](CN[C@H]2CCCc3n[nH]cc32)C1 ZINC000401664825 970715266 /nfs/dbraw/zinc/71/52/66/970715266.db2.gz WRIYDOFOUIUCMQ-AAEUAGOBSA-N 1 3 248.374 1.719 20 0 BDADHO C[C@H]1C[C@@H](N2CCC(F)(F)[C@@H](C[NH3+])C2)CCO1 ZINC001246553597 972751420 /nfs/dbraw/zinc/75/14/20/972751420.db2.gz BNEOQQJGGNXRRC-DCAQKATOSA-N 1 3 248.317 1.470 20 0 BDADHO CSC(C)(C)C[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556794 972758821 /nfs/dbraw/zinc/75/88/21/972758821.db2.gz DICPCCRYAPUDOO-HBNTYKKESA-N 1 3 246.420 1.301 20 0 BDADHO CSC(C)(C)C[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556794 972758831 /nfs/dbraw/zinc/75/88/31/972758831.db2.gz DICPCCRYAPUDOO-HBNTYKKESA-N 1 3 246.420 1.301 20 0 BDADHO CSC(C)(C)C[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246556794 972758841 /nfs/dbraw/zinc/75/88/41/972758841.db2.gz DICPCCRYAPUDOO-HBNTYKKESA-N 1 3 246.420 1.301 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CCCC[C@H](CN)C1 ZINC001246581995 972943519 /nfs/dbraw/zinc/94/35/19/972943519.db2.gz LYSFVZJDJXJBQH-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CCCC[C@H](CN)C1 ZINC001246581995 972943521 /nfs/dbraw/zinc/94/35/21/972943521.db2.gz LYSFVZJDJXJBQH-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC001246584218 972956389 /nfs/dbraw/zinc/95/63/89/972956389.db2.gz TWZWUSTYZDPACN-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCCC[C@@H](CN)C2)CCO1 ZINC001246584218 972956398 /nfs/dbraw/zinc/95/63/98/972956398.db2.gz TWZWUSTYZDPACN-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)[C@@H]1C[C@@H](N2CCNC[C@@H](F)C2)CC[NH2+]1 ZINC001246598835 973019227 /nfs/dbraw/zinc/01/92/27/973019227.db2.gz OXLCUHZLRTUWQC-AGIUHOORSA-N 1 3 243.370 1.006 20 0 BDADHO C[C@H]1C[C@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599971 973022142 /nfs/dbraw/zinc/02/21/42/973022142.db2.gz QLEVCFUPSOLQEO-RVMXOQNASA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H]1C[C@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599971 973022151 /nfs/dbraw/zinc/02/21/51/973022151.db2.gz QLEVCFUPSOLQEO-RVMXOQNASA-N 1 3 226.364 1.362 20 0 BDADHO CCCC[C@H](CC)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246641551 973062693 /nfs/dbraw/zinc/06/26/93/973062693.db2.gz JBAFKBNWPNZEED-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO C[C@@H]1C[C@@H](N2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670079 973079134 /nfs/dbraw/zinc/07/91/34/973079134.db2.gz WFFAZSYEPLDAFS-YTWAJWBKSA-N 1 3 246.301 1.093 20 0 BDADHO CO[C@@H]1CCC[C@@H]2C[N@@H+](C3CCNCC3)C[C@@H]21 ZINC001246756822 973085312 /nfs/dbraw/zinc/08/53/12/973085312.db2.gz AECWNZVYTPADFE-KWCYVHTRSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@@H]1CCC[C@@H]2C[N@H+](C3CCNCC3)C[C@@H]21 ZINC001246756822 973085325 /nfs/dbraw/zinc/08/53/25/973085325.db2.gz AECWNZVYTPADFE-KWCYVHTRSA-N 1 3 238.375 1.485 20 0 BDADHO CC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146603284 973180481 /nfs/dbraw/zinc/18/04/81/973180481.db2.gz WOQIEYJWGLFCRQ-NEPJUHHUSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875161 973270882 /nfs/dbraw/zinc/27/08/82/973270882.db2.gz XQPBCQDUYOSPGS-UHFZAUJKSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CN1 ZINC001246875161 973270898 /nfs/dbraw/zinc/27/08/98/973270898.db2.gz XQPBCQDUYOSPGS-UHFZAUJKSA-N 1 3 212.312 1.274 20 0 BDADHO C[C@H](N)C[N@H+](C)[C@@H]1CCc2cccc(F)c2C1 ZINC001246981958 973747845 /nfs/dbraw/zinc/74/78/45/973747845.db2.gz VARNMXZLFQAJRZ-CMPLNLGQSA-N 1 3 236.334 1.962 20 0 BDADHO C[C@H](N)C[N@@H+](C)[C@@H]1CCc2cccc(F)c2C1 ZINC001246981958 973747852 /nfs/dbraw/zinc/74/78/52/973747852.db2.gz VARNMXZLFQAJRZ-CMPLNLGQSA-N 1 3 236.334 1.962 20 0 BDADHO COC[C@H]1CCC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000234800647 973766156 /nfs/dbraw/zinc/76/61/56/973766156.db2.gz DVKWUXRVTPFFLI-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@H]1CCC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000234800647 973766178 /nfs/dbraw/zinc/76/61/78/973766178.db2.gz DVKWUXRVTPFFLI-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2N)CN1Cc1ccccc1 ZINC001171732024 974139204 /nfs/dbraw/zinc/13/92/04/974139204.db2.gz GJOLVGBEXUVFTN-FAAHXZRKSA-N 1 3 245.370 1.339 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2N)CN1Cc1ccccc1 ZINC001171732027 974140813 /nfs/dbraw/zinc/14/08/13/974140813.db2.gz GJOLVGBEXUVFTN-ZGKBOVNRSA-N 1 3 245.370 1.339 20 0 BDADHO C[C@H](C[N@@H+]1CC[C@@H](N)[C@H](F)CC1)C(F)(F)F ZINC001206152770 974228913 /nfs/dbraw/zinc/22/89/13/974228913.db2.gz ARVNSVNSRHGJGT-IWSPIJDZSA-N 1 3 242.260 1.946 20 0 BDADHO C[C@H](C[N@H+]1CC[C@@H](N)[C@H](F)CC1)C(F)(F)F ZINC001206152770 974228917 /nfs/dbraw/zinc/22/89/17/974228917.db2.gz ARVNSVNSRHGJGT-IWSPIJDZSA-N 1 3 242.260 1.946 20 0 BDADHO CC(C)OC(=O)CC[C@H](C)NC(C)(C)C[NH3+] ZINC001172745332 974919759 /nfs/dbraw/zinc/91/97/59/974919759.db2.gz CUMKSRRCFHZFNV-JTQLQIEISA-N 1 3 230.352 1.434 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCN2C)CCO1 ZINC001173170096 975062923 /nfs/dbraw/zinc/06/29/23/975062923.db2.gz XSROZSUXWIDVPT-XQQFMLRXSA-N 1 3 226.364 1.628 20 0 BDADHO CCN1CC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001173350002 975293069 /nfs/dbraw/zinc/29/30/69/975293069.db2.gz HVSBYROIOCOBEI-LBPRGKRZSA-N 1 3 232.331 1.481 20 0 BDADHO C[C@H](N)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763078 976628624 /nfs/dbraw/zinc/62/86/24/976628624.db2.gz PUWJMNDETXUEBR-AEJSXWLSSA-N 1 3 200.351 1.019 20 0 BDADHO C[C@H](N)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC001334763078 976628628 /nfs/dbraw/zinc/62/86/28/976628628.db2.gz PUWJMNDETXUEBR-AEJSXWLSSA-N 1 3 200.351 1.019 20 0 BDADHO C[C@H](O)[C@H](C)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001335469551 977079381 /nfs/dbraw/zinc/07/93/81/977079381.db2.gz NBWHKZQTIOLUBF-UKKRHICBSA-N 1 3 214.353 1.074 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@H](O)CCC(C)C)C1 ZINC001335935879 977373168 /nfs/dbraw/zinc/37/31/68/977373168.db2.gz YPFVPZVVYZAFSN-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@@](O)(C[NH2+]CCCN(C)C)C(F)(F)F ZINC001336711608 977877449 /nfs/dbraw/zinc/87/74/49/977877449.db2.gz ZLUBUQJGIMEUHZ-SECBINFHSA-N 1 3 242.285 1.231 20 0 BDADHO CC[C@H](C(=O)N1CCC([NH3+])(CC)CC1)N(C)C ZINC001337069091 978151397 /nfs/dbraw/zinc/15/13/97/978151397.db2.gz NJWSQBLMMNZKBM-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C(C)C)N(C)C ZINC001339716133 978899224 /nfs/dbraw/zinc/89/92/24/978899224.db2.gz SMAVNHPFVVPCMI-NEPJUHHUSA-N 1 3 243.395 1.062 20 0 BDADHO CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001277930221 979002747 /nfs/dbraw/zinc/00/27/47/979002747.db2.gz YFCPGYQZCRXJNT-NWDGAFQWSA-N 1 3 243.395 1.029 20 0 BDADHO N[C@@H]1CN(CCC[NH2+]C2CCCCC2)C[C@@H]1F ZINC001235894246 979187125 /nfs/dbraw/zinc/18/71/25/979187125.db2.gz XIMIFKDJHRJJLH-QWHCGFSZSA-N 1 3 243.370 1.280 20 0 BDADHO CN(CC1CC(F)(F)C1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235906649 979199219 /nfs/dbraw/zinc/19/92/19/979199219.db2.gz OHIKNLGBXBOVGJ-JTQLQIEISA-N 1 3 248.317 1.688 20 0 BDADHO COc1cccc(CCC[N@@H+]2C[C@@H]3C[C@]3(N)C2)c1 ZINC001236017744 979308053 /nfs/dbraw/zinc/30/80/53/979308053.db2.gz SXEYVFFIIRCBFJ-ZFWWWQNUSA-N 1 3 246.354 1.661 20 0 BDADHO COc1cccc(CCC[N@H+]2C[C@@H]3C[C@]3(N)C2)c1 ZINC001236017744 979308064 /nfs/dbraw/zinc/30/80/64/979308064.db2.gz SXEYVFFIIRCBFJ-ZFWWWQNUSA-N 1 3 246.354 1.661 20 0 BDADHO CC(C)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC001341336954 979341091 /nfs/dbraw/zinc/34/10/91/979341091.db2.gz LLZLRIGYUNNZOC-LLVKDONJSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC001341459092 979403247 /nfs/dbraw/zinc/40/32/47/979403247.db2.gz WPEXPODZOZEVJK-WHOHXGKFSA-N 1 3 241.379 1.007 20 0 BDADHO [NH3+][C@H]1CCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001236174850 979437046 /nfs/dbraw/zinc/43/70/46/979437046.db2.gz ZZTWYRNYRXFHDR-JTQLQIEISA-N 1 3 216.288 1.096 20 0 BDADHO [NH3+][C@H]1CCN(Cc2cc3cnccc3[nH]2)C1 ZINC001236174850 979437050 /nfs/dbraw/zinc/43/70/50/979437050.db2.gz ZZTWYRNYRXFHDR-JTQLQIEISA-N 1 3 216.288 1.096 20 0 BDADHO c1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)no1 ZINC001236316124 979529294 /nfs/dbraw/zinc/52/92/94/979529294.db2.gz OZUYDUXQZRSFQZ-PHIMTYICSA-N 1 3 221.304 1.106 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1cccc(N)c1)CC2 ZINC001237219520 979851568 /nfs/dbraw/zinc/85/15/68/979851568.db2.gz JJBDPTBDBBCSHJ-UHFFFAOYSA-N 1 3 245.370 1.796 20 0 BDADHO CCC1(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237376069 979877711 /nfs/dbraw/zinc/87/77/11/979877711.db2.gz OPGQHGWMTMTZAU-CHWSQXEVSA-N 1 3 238.375 1.487 20 0 BDADHO C[NH+](C)Cc1ccccc1-c1cc(CN)ncn1 ZINC001239680241 980841470 /nfs/dbraw/zinc/84/14/70/980841470.db2.gz QSOVNUNVBTVVTA-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO c1cc(N2CCOCC2)c(C2=CC[NH2+]CC2)cn1 ZINC001240466625 981399502 /nfs/dbraw/zinc/39/95/02/981399502.db2.gz CFKZRDWBXCTXKW-UHFFFAOYSA-N 1 3 245.326 1.295 20 0 BDADHO c1cc(C2=CCC[NH2+]C2)cc2c1C1(CNC1)OC2 ZINC001240669842 981578016 /nfs/dbraw/zinc/57/80/16/981578016.db2.gz AUDSJVGGCRTFEV-UHFFFAOYSA-N 1 3 242.322 1.392 20 0 BDADHO O[C@H]1CNCC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC001580879707 981668777 /nfs/dbraw/zinc/66/87/77/981668777.db2.gz CXELTZKZHJHUDA-CABCVRRESA-N 1 3 246.354 1.376 20 0 BDADHO OC[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC001580882251 981685495 /nfs/dbraw/zinc/68/54/95/981685495.db2.gz PSCMJTHVVYCIDQ-OLZOCXBDSA-N 1 3 226.364 1.223 20 0 BDADHO Cc1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205664062 981803942 /nfs/dbraw/zinc/80/39/42/981803942.db2.gz LCMAHZCKYCEJAD-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205664062 981803951 /nfs/dbraw/zinc/80/39/51/981803951.db2.gz LCMAHZCKYCEJAD-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205664062 981803952 /nfs/dbraw/zinc/80/39/52/981803952.db2.gz LCMAHZCKYCEJAD-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO CN(C)Cc1ccnc(C=C2CC[NH2+]CC2)c1 ZINC001240875165 981920062 /nfs/dbraw/zinc/92/00/62/981920062.db2.gz KCSGTHFCQQKTHI-UHFFFAOYSA-N 1 3 231.343 1.910 20 0 BDADHO CN(C)CCC[N@H+](C)CCOc1ccccc1 ZINC000336711436 982085521 /nfs/dbraw/zinc/08/55/21/982085521.db2.gz MJZHTGUQSLQNDJ-UHFFFAOYSA-N 1 3 236.359 1.949 20 0 BDADHO C[C@@H]1CCOCCN1C[C@H]1CCC[NH2+]C1 ZINC001352775827 982570458 /nfs/dbraw/zinc/57/04/58/982570458.db2.gz ATAHNPUPIDXJFK-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCCCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152432570 982680499 /nfs/dbraw/zinc/68/04/99/982680499.db2.gz LGMQCRQVHOWZEF-UHFFFAOYSA-N 1 3 243.395 1.223 20 0 BDADHO CCCN1CCN(CCC[NH+](CC)CC)CC1 ZINC001201643530 983398468 /nfs/dbraw/zinc/39/84/68/983398468.db2.gz PVUUZAAKPMYGHZ-UHFFFAOYSA-N 1 3 241.423 1.746 20 0 BDADHO CCC[NH+]1CCC(N2CCC(OC)CC2)CC1 ZINC001201652523 983405756 /nfs/dbraw/zinc/40/57/56/983405756.db2.gz OYVDNKQPNJBVCA-UHFFFAOYSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357454058 983719074 /nfs/dbraw/zinc/71/90/74/983719074.db2.gz SFWUNHOXEQGUGY-SRVKXCTJSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001358059679 983821573 /nfs/dbraw/zinc/82/15/73/983821573.db2.gz MQNQSMBBZKNSEI-IUCAKERBSA-N 1 3 233.315 1.212 20 0 BDADHO C[NH2+]CCCCC(=O)Nc1cccc2c1CNC2 ZINC001358059466 983821989 /nfs/dbraw/zinc/82/19/89/983821989.db2.gz FNEFRTFEHCQKBO-UHFFFAOYSA-N 1 3 247.342 1.618 20 0 BDADHO C([C@@H]1CCCCO1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001574796410 984118441 /nfs/dbraw/zinc/11/84/41/984118441.db2.gz WPPFARPVLVDDGL-AGIUHOORSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H](CCc1ccccc1)NC[C@]1(O)CC[NH2+]C1 ZINC001575966485 984147549 /nfs/dbraw/zinc/14/75/49/984147549.db2.gz ORUCWAGHOBLKCF-ZFWWWQNUSA-N 1 3 248.370 1.322 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CC23CC(O)C3)C1 ZINC001576478504 984168909 /nfs/dbraw/zinc/16/89/09/984168909.db2.gz ACJSERAHPQHLKQ-WDBLDGLGSA-N 1 3 238.375 1.268 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC001578160932 984204750 /nfs/dbraw/zinc/20/47/50/984204750.db2.gz FNANBYCACSMNCR-GWOFURMSSA-N 1 3 212.337 1.269 20 0 BDADHO CN1CCCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC001578528755 984214614 /nfs/dbraw/zinc/21/46/14/984214614.db2.gz KZKWWBDBEXAYQQ-QWHCGFSZSA-N 1 3 237.391 1.345 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C(C)C)C1 ZINC001578622699 984214992 /nfs/dbraw/zinc/21/49/92/984214992.db2.gz YNKPREJXXXLMTD-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC001578622699 984214997 /nfs/dbraw/zinc/21/49/97/984214997.db2.gz YNKPREJXXXLMTD-STQMWFEESA-N 1 3 228.380 1.325 20 0 BDADHO COCC[C@@H]([NH3+])CN[C@@H]1CCC[C@]12CCCO2 ZINC001579003316 984255401 /nfs/dbraw/zinc/25/54/01/984255401.db2.gz FFCBQNIRABIWLH-UPJWGTAASA-N 1 3 242.363 1.042 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223582 984413853 /nfs/dbraw/zinc/41/38/53/984413853.db2.gz CCCTUOKZWCZENX-QTJJRWQNSA-N 1 3 236.359 1.236 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CCN1 ZINC000718223582 984413857 /nfs/dbraw/zinc/41/38/57/984413857.db2.gz CCCTUOKZWCZENX-QTJJRWQNSA-N 1 3 236.359 1.236 20 0 BDADHO CC[C@@H](C)CN1CC2(CCN2CC[NH+](C)C)C1 ZINC001275064472 984465828 /nfs/dbraw/zinc/46/58/28/984465828.db2.gz HKQNGYHWDYDPNQ-CYBMUJFWSA-N 1 3 239.407 1.354 20 0 BDADHO C[N@@H+]1CCC2(C1)CCN(Cc1cccnc1)CC2 ZINC001275885105 984706023 /nfs/dbraw/zinc/70/60/23/984706023.db2.gz WVYOUDKJQGNMLD-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO C[N@H+]1CCC2(C1)CCN(Cc1cccnc1)CC2 ZINC001275885105 984706061 /nfs/dbraw/zinc/70/60/61/984706061.db2.gz WVYOUDKJQGNMLD-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO CCN1CCCC[C@@H]1C(=O)NCCC(C)(C)[NH3+] ZINC001577770148 984759244 /nfs/dbraw/zinc/75/92/44/984759244.db2.gz APHZKYSDULZAKS-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCCN(CC)C1 ZINC001577887163 984813009 /nfs/dbraw/zinc/81/30/09/984813009.db2.gz PSQASCXIMGHYJI-VXGBXAGGSA-N 1 3 213.369 1.058 20 0 BDADHO CCOC(=O)C1(C[NH2+]CC(C)(C)CN)CCC1 ZINC001577929066 984821531 /nfs/dbraw/zinc/82/15/31/984821531.db2.gz XHQSKEKAYUJEKU-UHFFFAOYSA-N 1 3 242.363 1.294 20 0 BDADHO CCOC(=O)C1(C)CC(N[C@H](C)CC[NH3+])C1 ZINC001577925206 984823085 /nfs/dbraw/zinc/82/30/85/984823085.db2.gz FYULVGCANHSVMG-GRZMOONWSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC(=O)C1(C)CC(N[C@H](C)C[C@H](C)[NH3+])C1 ZINC001577925243 984823265 /nfs/dbraw/zinc/82/32/65/984823265.db2.gz GOUDJGVJYAYFRR-KIENENRBSA-N 1 3 242.363 1.434 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2)C12CCC2 ZINC001578093313 984844765 /nfs/dbraw/zinc/84/47/65/984844765.db2.gz HDSMTMLGRSTAET-IJLUTSLNSA-N 1 3 224.348 1.286 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2)C12CCC2 ZINC001578093315 984846406 /nfs/dbraw/zinc/84/64/06/984846406.db2.gz HDSMTMLGRSTAET-QJPTWQEYSA-N 1 3 224.348 1.286 20 0 BDADHO CCOCC(C)(C)NC[C@@H]([NH3+])CC(F)F ZINC001578101934 984852154 /nfs/dbraw/zinc/85/21/54/984852154.db2.gz AYDFQPGURLNEST-QMMMGPOBSA-N 1 3 224.295 1.374 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)N)[C@@H]1SC ZINC001578158472 984858730 /nfs/dbraw/zinc/85/87/30/984858730.db2.gz CWZIGPREOSMHLY-BBBLOLIVSA-N 1 3 232.393 1.222 20 0 BDADHO CCn1ccnc1[C@@H](C)NC1CC2(C[C@H]2[NH3+])C1 ZINC001578357143 984998087 /nfs/dbraw/zinc/99/80/87/984998087.db2.gz NUVNGOCNXAJVGL-YLXHPXFOSA-N 1 3 234.347 1.433 20 0 BDADHO CN(Cc1cc[nH]c(=O)c1)CC(C)(C)C[NH3+] ZINC001578498268 985119422 /nfs/dbraw/zinc/11/94/22/985119422.db2.gz FVFCSFPBSVCILU-UHFFFAOYSA-N 1 3 223.320 1.204 20 0 BDADHO CNC[C@@H](O)C[N@@H+](C)CCCCC(F)(F)F ZINC001578652785 985265767 /nfs/dbraw/zinc/26/57/67/985265767.db2.gz ORPUIUKLJSTCTB-SECBINFHSA-N 1 3 242.285 1.231 20 0 BDADHO CNC[C@H](O)C[N@H+](C)CCCCC(F)(F)F ZINC001578652786 985267685 /nfs/dbraw/zinc/26/76/85/985267685.db2.gz ORPUIUKLJSTCTB-VIFPVBQESA-N 1 3 242.285 1.231 20 0 BDADHO CNC[C@H](O)C[N@@H+](C)CCCCC(F)(F)F ZINC001578652786 985267698 /nfs/dbraw/zinc/26/76/98/985267698.db2.gz ORPUIUKLJSTCTB-VIFPVBQESA-N 1 3 242.285 1.231 20 0 BDADHO CNC[C@@H](O)C[N@H+](C)CCCCC(F)(F)F ZINC001578652785 985265751 /nfs/dbraw/zinc/26/57/51/985265751.db2.gz ORPUIUKLJSTCTB-SECBINFHSA-N 1 3 242.285 1.231 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@@]2(C)CCCCO2)C1 ZINC001578657303 985271722 /nfs/dbraw/zinc/27/17/22/985271722.db2.gz UVANSRMGNNFYOJ-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[NH2+]CCCNC(C)(C)[C@@H]1CCCCO1 ZINC001578686842 985297757 /nfs/dbraw/zinc/29/77/57/985297757.db2.gz PBFXIOZRUJZIGT-NSHDSACASA-N 1 3 214.353 1.533 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H](O)C(C)C)C1 ZINC001578656432 985274231 /nfs/dbraw/zinc/27/42/31/985274231.db2.gz IWBYACLFZIWTDK-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]CCC1CCN(CC2=NOCC2)CC1 ZINC001578677899 985291088 /nfs/dbraw/zinc/29/10/88/985291088.db2.gz SBOOGJXQLSIGRU-UHFFFAOYSA-N 1 3 225.336 1.084 20 0 BDADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001578790680 985360824 /nfs/dbraw/zinc/36/08/24/985360824.db2.gz VUCZEBMZFIUNKB-LZQZFOIKSA-N 1 3 240.347 1.044 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC001578897777 985441969 /nfs/dbraw/zinc/44/19/69/985441969.db2.gz YQZHIAXYGKNBSX-SGIHWFKDSA-N 1 3 200.326 1.125 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001578897777 985441996 /nfs/dbraw/zinc/44/19/96/985441996.db2.gz YQZHIAXYGKNBSX-SGIHWFKDSA-N 1 3 200.326 1.125 20 0 BDADHO C[C@H]1COC[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000688022748 985495619 /nfs/dbraw/zinc/49/56/19/985495619.db2.gz GFACLUDVTMQHOG-KBPBESRZSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2COC[C@@H]2C)C1 ZINC000688030321 985507419 /nfs/dbraw/zinc/50/74/19/985507419.db2.gz QXDIHBQLQROKGR-XQQFMLRXSA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2COC[C@@H]2C)C1 ZINC000688030321 985507443 /nfs/dbraw/zinc/50/74/43/985507443.db2.gz QXDIHBQLQROKGR-XQQFMLRXSA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2COC[C@@H]2C)C1 ZINC000688030321 985507462 /nfs/dbraw/zinc/50/74/62/985507462.db2.gz QXDIHBQLQROKGR-XQQFMLRXSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC001578913256 985515788 /nfs/dbraw/zinc/51/57/88/985515788.db2.gz SYHWBJZDAASVKP-IJLUTSLNSA-N 1 3 212.337 1.271 20 0 BDADHO CO[C@H]1C[C@H](NC(C)(C)C[NH3+])C12CCC2 ZINC001578936361 985547030 /nfs/dbraw/zinc/54/70/30/985547030.db2.gz RAKDUNYFBWLVLK-UWVGGRQHSA-N 1 3 212.337 1.271 20 0 BDADHO COc1cc(CC[NH2+]CC2(CN)CCC2)ccn1 ZINC001579150379 985815285 /nfs/dbraw/zinc/81/52/85/985815285.db2.gz IQQQOOCUADVDCQ-UHFFFAOYSA-N 1 3 249.358 1.351 20 0 BDADHO C[C@H](CN)[NH2+]Cc1cccn1C(F)F ZINC001579476993 985963013 /nfs/dbraw/zinc/96/30/13/985963013.db2.gz RUTVQQWLFCXKNV-SSDOTTSWSA-N 1 3 203.236 1.320 20 0 BDADHO Cc1cccc2c1C[C@H]([NH2+]CC(C)(C)N)CO2 ZINC001579775989 986216392 /nfs/dbraw/zinc/21/63/92/986216392.db2.gz IXLYMUTVAPIAKK-NSHDSACASA-N 1 3 234.343 1.625 20 0 BDADHO Cc1cccc2c1C[C@@H]([NH2+]CC(C)(C)N)CO2 ZINC001579775988 986220931 /nfs/dbraw/zinc/22/09/31/986220931.db2.gz IXLYMUTVAPIAKK-LLVKDONJSA-N 1 3 234.343 1.625 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(C[C@]2(C)CCCCO2)C1 ZINC001462084301 986281701 /nfs/dbraw/zinc/28/17/01/986281701.db2.gz ZYIIXTPUGCUMDK-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO Cn1cc([C@@H]2C[C@H]2CN2CCC[C@@H](C[NH3+])C2)cn1 ZINC001579970453 986372132 /nfs/dbraw/zinc/37/21/32/986372132.db2.gz XJRBWEBCFZVCIW-SGMGOOAPSA-N 1 3 248.374 1.194 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001462662582 986488163 /nfs/dbraw/zinc/48/81/63/986488163.db2.gz CXPNCRDIXHMUSA-FPYNETTCSA-N 1 3 226.364 1.340 20 0 BDADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)CC2)C[C@@H]1F ZINC001254515785 986663695 /nfs/dbraw/zinc/66/36/95/986663695.db2.gz CUVKYFYTKBAVIS-WOPDTQHZSA-N 1 3 214.328 1.761 20 0 BDADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)CC2)C[C@@H]1F ZINC001254515785 986663708 /nfs/dbraw/zinc/66/37/08/986663708.db2.gz CUVKYFYTKBAVIS-WOPDTQHZSA-N 1 3 214.328 1.761 20 0 BDADHO C[C@@H]1C[N@H+]([C@H]2CCCN(C)CC2)C[C@H](C)N1C ZINC001254525719 986665366 /nfs/dbraw/zinc/66/53/66/986665366.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1C[N@@H+]([C@H]2CCCN(C)CC2)C[C@H](C)N1C ZINC001254525719 986665375 /nfs/dbraw/zinc/66/53/75/986665375.db2.gz LJTGQHSZFMHDGS-MJBXVCDLSA-N 1 3 239.407 1.495 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CCC[C@@H]1CCO1 ZINC001580254679 986709435 /nfs/dbraw/zinc/70/94/35/986709435.db2.gz YWPOONUTLGVJSO-YNEHKIRRSA-N 1 3 224.348 1.369 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC001580430521 986846810 /nfs/dbraw/zinc/84/68/10/986846810.db2.gz PTAMOPHWWJEIPX-AVGNSLFASA-N 1 3 231.343 1.408 20 0 BDADHO C[C@@](O)(CNC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983763 987263019 /nfs/dbraw/zinc/26/30/19/987263019.db2.gz URFGOWUSPVGIFF-UKRRQHHQSA-N 1 3 248.370 1.483 20 0 BDADHO CCCCC[C@H](O)CNC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001245988711 987273786 /nfs/dbraw/zinc/27/37/86/987273786.db2.gz FEZJZPHGIVMINI-RDBSUJKOSA-N 1 3 242.407 1.763 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001245999944 987284741 /nfs/dbraw/zinc/28/47/41/987284741.db2.gz KJEZLLSWLHZILS-DGCLKSJQSA-N 1 3 238.331 1.056 20 0 BDADHO CCCCC[C@H](O)C[N@@H+]1CC[C@@H](N)[C@H]1C ZINC001246018596 987302305 /nfs/dbraw/zinc/30/23/05/987302305.db2.gz FUCWJVOKJGKKJT-GRYCIOLGSA-N 1 3 214.353 1.349 20 0 BDADHO CCCCC[C@H](O)C[N@H+]1CC[C@@H](N)[C@H]1C ZINC001246018596 987302311 /nfs/dbraw/zinc/30/23/11/987302311.db2.gz FUCWJVOKJGKKJT-GRYCIOLGSA-N 1 3 214.353 1.349 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246022892 987311791 /nfs/dbraw/zinc/31/17/91/987311791.db2.gz PWUXJIQTMQKBJA-NEPJUHHUSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@@H]1CC(N[C@H]2CC[C@H](C)[NH2+]C2)C[C@@H](C)O1 ZINC001246074579 987364558 /nfs/dbraw/zinc/36/45/58/987364558.db2.gz AOKRBQQPUIOIAL-QCNOEVLYSA-N 1 3 226.364 1.673 20 0 BDADHO C[C@H](CC[NH2+]C[C@@H]1CCCOC1)N(C)C ZINC000697890539 987364654 /nfs/dbraw/zinc/36/46/54/987364654.db2.gz OJPGWABSMXGORX-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CCOC(=O)CCC[C@H](C)[NH2+]C1CCNCC1 ZINC001246077191 987368133 /nfs/dbraw/zinc/36/81/33/987368133.db2.gz IFVPNTRKJSBQMY-NSHDSACASA-N 1 3 242.363 1.450 20 0 BDADHO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246080283 987372778 /nfs/dbraw/zinc/37/27/78/987372778.db2.gz QMVSTDDDQYAZQG-VXGBXAGGSA-N 1 3 228.380 1.922 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCNC[C@@H]1F ZINC001246080094 987372957 /nfs/dbraw/zinc/37/29/57/987372957.db2.gz DRJPCFJTWGECBJ-AVGNSLFASA-N 1 3 245.386 1.396 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC001246081845 987378425 /nfs/dbraw/zinc/37/84/25/987378425.db2.gz UHGRROWWAMAVNE-PWSUYJOCSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H](NC2CC[NH2+]CC2)C1 ZINC001246081845 987378429 /nfs/dbraw/zinc/37/84/29/987378429.db2.gz UHGRROWWAMAVNE-PWSUYJOCSA-N 1 3 240.347 1.060 20 0 BDADHO CC(C)CC[C@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246083870 987381177 /nfs/dbraw/zinc/38/11/77/987381177.db2.gz PZSUTQSKXFMSLU-RWMBFGLXSA-N 1 3 246.370 1.463 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2COC(C)(C)C2)C[NH2+]1 ZINC001246104029 987430616 /nfs/dbraw/zinc/43/06/16/987430616.db2.gz ZOCLKUIIJNOBOH-WOPDTQHZSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)NC1 ZINC001246105120 987433525 /nfs/dbraw/zinc/43/35/25/987433525.db2.gz LXSHPRDVPCMYAN-UTUOFQBUSA-N 1 3 226.364 1.532 20 0 BDADHO CCOC1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246129073 987476287 /nfs/dbraw/zinc/47/62/87/987476287.db2.gz GCKGMZYBKWQIQO-WXRRBKDZSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@H]1C ZINC001246132016 987481043 /nfs/dbraw/zinc/48/10/43/987481043.db2.gz CGOPSMMAUQDLIE-BUCHIQEDSA-N 1 3 238.375 1.388 20 0 BDADHO FC1(F)CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246135288 987495666 /nfs/dbraw/zinc/49/56/66/987495666.db2.gz TWKWPJQTADQVEL-SNVBAGLBSA-N 1 3 230.302 1.906 20 0 BDADHO CC[C@H](CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)OC ZINC001473844083 987577774 /nfs/dbraw/zinc/57/77/74/987577774.db2.gz TZTNIYBNPTYWQI-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO CC[C@H](CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)OC ZINC001473844083 987577783 /nfs/dbraw/zinc/57/77/83/987577783.db2.gz TZTNIYBNPTYWQI-UPJWGTAASA-N 1 3 226.364 1.295 20 0 BDADHO CCOC(=O)CC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204595 987598461 /nfs/dbraw/zinc/59/84/61/987598461.db2.gz HUGDJRZSIQVFJH-QJPTWQEYSA-N 1 3 242.363 1.578 20 0 BDADHO CC(C)(O)[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1 ZINC001246218231 987617405 /nfs/dbraw/zinc/61/74/05/987617405.db2.gz QBBIVMHZHVXNSE-HAQNSBGRSA-N 1 3 240.391 1.658 20 0 BDADHO c1ccc(CCCCN[C@@H]2CCC[NH2+]C2)nc1 ZINC001246237137 987635156 /nfs/dbraw/zinc/63/51/56/987635156.db2.gz GXGPOPRXKVCYHV-CQSZACIVSA-N 1 3 233.359 1.746 20 0 BDADHO c1c(CCNC2CC[NH2+]CC2)nc2ccccn12 ZINC001246246569 987645746 /nfs/dbraw/zinc/64/57/46/987645746.db2.gz WCODMIXOWUSZTN-UHFFFAOYSA-N 1 3 244.342 1.218 20 0 BDADHO c1c(CC[NH2+]C2CCNCC2)nc2ccccn12 ZINC001246246569 987645755 /nfs/dbraw/zinc/64/57/55/987645755.db2.gz WCODMIXOWUSZTN-UHFFFAOYSA-N 1 3 244.342 1.218 20 0 BDADHO Cc1ccnc(CCNC2CC[NH2+]CC2)c1 ZINC001246255581 987653201 /nfs/dbraw/zinc/65/32/01/987653201.db2.gz LVLRDRWDZZTYNO-UHFFFAOYSA-N 1 3 219.332 1.274 20 0 BDADHO Cc1ccnc(CC[NH2+]C2CCNCC2)c1 ZINC001246255581 987653204 /nfs/dbraw/zinc/65/32/04/987653204.db2.gz LVLRDRWDZZTYNO-UHFFFAOYSA-N 1 3 219.332 1.274 20 0 BDADHO OC12CCC([NH2+]C3CCNCC3)(CC1)CC2 ZINC001246268749 987662123 /nfs/dbraw/zinc/66/21/23/987662123.db2.gz WZUHYOJXMAXIFW-UHFFFAOYSA-N 1 3 224.348 1.166 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(CCF)CC2)CN1 ZINC001246273271 987664831 /nfs/dbraw/zinc/66/48/31/987664831.db2.gz PSRZEWJYEJQOPB-YPMHNXCESA-N 1 3 243.370 1.150 20 0 BDADHO C[C@@H]1CC[C@H](NC2CCN(CCF)CC2)C[NH2+]1 ZINC001246273271 987664833 /nfs/dbraw/zinc/66/48/33/987664833.db2.gz PSRZEWJYEJQOPB-YPMHNXCESA-N 1 3 243.370 1.150 20 0 BDADHO c1ccc(C2(CNC3CC[NH2+]CC3)CC2)nc1 ZINC001246278744 987672036 /nfs/dbraw/zinc/67/20/36/987672036.db2.gz NAVZLYBMXVXOML-UHFFFAOYSA-N 1 3 231.343 1.455 20 0 BDADHO c1ccc2c(c1)CN[C@H](CN[C@@H]1CCC[NH2+]C1)C2 ZINC001246277395 987672514 /nfs/dbraw/zinc/67/25/14/987672514.db2.gz IXJKOOAXLKVUJN-CABCVRRESA-N 1 3 245.370 1.043 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CCCC3)[C@H]2C1 ZINC001474301169 987680995 /nfs/dbraw/zinc/68/09/95/987680995.db2.gz GKZRGZZBTOPVPV-WCFLWFBJSA-N 1 3 208.349 1.859 20 0 BDADHO COC(CCCN[C@@H]1CC[C@@H](C)[NH2+]C1)OC ZINC001246338731 987747882 /nfs/dbraw/zinc/74/78/82/987747882.db2.gz CKSJVYSPFKNFOY-GHMZBOCLSA-N 1 3 230.352 1.116 20 0 BDADHO COC(=O)CCCC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246357421 987763682 /nfs/dbraw/zinc/76/36/82/987763682.db2.gz UJFDHWXZJUWMEZ-WDEREUQCSA-N 1 3 228.336 1.060 20 0 BDADHO CC(C)(C[NH2+]C1CCNCC1)Cc1ccccn1 ZINC001246386069 987781148 /nfs/dbraw/zinc/78/11/48/987781148.db2.gz DFTSRJGBFBYLEH-UHFFFAOYSA-N 1 3 247.386 1.992 20 0 BDADHO CC[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246407750 987787008 /nfs/dbraw/zinc/78/70/08/987787008.db2.gz ZJMYFCAULFHAJS-UTUOFQBUSA-N 1 3 241.379 1.138 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+][C@@H]2CC23CNC3)c1 ZINC001246447761 987807530 /nfs/dbraw/zinc/80/75/30/987807530.db2.gz WPGSPWDZGAMVAB-BXUZGUMPSA-N 1 3 246.354 1.578 20 0 BDADHO CC(C)(CC1CCOCC1)[NH2+]C1CCNCC1 ZINC001246453193 987808588 /nfs/dbraw/zinc/80/85/88/987808588.db2.gz ADPJDCRCGLUESI-UHFFFAOYSA-N 1 3 240.391 1.923 20 0 BDADHO CCSC[C@@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246477674 987833843 /nfs/dbraw/zinc/83/38/43/987833843.db2.gz IWGSBXJXLDKBCF-MXWKQRLJSA-N 1 3 216.394 1.988 20 0 BDADHO CC(C)(C)[C@H]1C[C@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246525717 987878725 /nfs/dbraw/zinc/87/87/25/987878725.db2.gz KQFJLYIMQIDVML-WISYIIOYSA-N 1 3 243.370 1.134 20 0 BDADHO CCCC[C@H]1C[C@@H](N2C[C@@H](F)[C@@H](N)C2)CC[NH2+]1 ZINC001246526226 987879980 /nfs/dbraw/zinc/87/99/80/987879980.db2.gz NZQQLHGNIDZUOT-RVMXOQNASA-N 1 3 243.370 1.278 20 0 BDADHO CSCC[C@@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542994 987911690 /nfs/dbraw/zinc/91/16/90/987911690.db2.gz QWVGDQBZCUZRCU-HBNTYKKESA-N 1 3 216.394 1.655 20 0 BDADHO CSCC[C@@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542994 987911700 /nfs/dbraw/zinc/91/17/00/987911700.db2.gz QWVGDQBZCUZRCU-HBNTYKKESA-N 1 3 216.394 1.655 20 0 BDADHO C[C@@H](Cc1cccnc1)N1CCC[C@@H]([NH3+])CC1 ZINC001246548195 987937969 /nfs/dbraw/zinc/93/79/69/987937969.db2.gz SPLYOHDTJUXIPH-GXTWGEPZSA-N 1 3 233.359 1.826 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246548386 987939992 /nfs/dbraw/zinc/93/99/92/987939992.db2.gz TVLOEZJUKZTTEZ-GRYCIOLGSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](N)CC2)CCO1 ZINC001246548386 987940005 /nfs/dbraw/zinc/94/00/05/987940005.db2.gz TVLOEZJUKZTTEZ-GRYCIOLGSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@H](O)CC2)CCN1 ZINC001246551909 987951008 /nfs/dbraw/zinc/95/10/08/987951008.db2.gz NVVWNFMKJMAQBY-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@H](O)CC2)CCN1 ZINC001246551909 987951017 /nfs/dbraw/zinc/95/10/17/987951017.db2.gz NVVWNFMKJMAQBY-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO CSCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246569270 988036742 /nfs/dbraw/zinc/03/67/42/988036742.db2.gz OREFZCZKUUXOKV-MXWKQRLJSA-N 1 3 216.394 1.797 20 0 BDADHO CSCC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246569270 988036757 /nfs/dbraw/zinc/03/67/57/988036757.db2.gz OREFZCZKUUXOKV-MXWKQRLJSA-N 1 3 216.394 1.797 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](O)[C@H](C)C2)CCN1 ZINC001246571268 988058492 /nfs/dbraw/zinc/05/84/92/988058492.db2.gz ASHPNBXEESDEFI-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](O)[C@H](C)C2)CCN1 ZINC001246571268 988058507 /nfs/dbraw/zinc/05/85/07/988058507.db2.gz ASHPNBXEESDEFI-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246580211 988108109 /nfs/dbraw/zinc/10/81/09/988108109.db2.gz LBKOUFCQXWAAIJ-KSSYENDESA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@@H]1C ZINC001246580211 988108122 /nfs/dbraw/zinc/10/81/22/988108122.db2.gz LBKOUFCQXWAAIJ-KSSYENDESA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246580218 988110456 /nfs/dbraw/zinc/11/04/56/988110456.db2.gz LBKOUFCQXWAAIJ-UJPOAAIJSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246580218 988110476 /nfs/dbraw/zinc/11/04/76/988110476.db2.gz LBKOUFCQXWAAIJ-UJPOAAIJSA-N 1 3 226.364 1.063 20 0 BDADHO CN1CC[C@@H]([N@@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246583356 988121158 /nfs/dbraw/zinc/12/11/58/988121158.db2.gz JURDXDKFUBVOFZ-CHWSQXEVSA-N 1 3 225.380 1.141 20 0 BDADHO CN1CC[C@@H]([N@H+]2CCCC[C@](C)(CN)C2)C1 ZINC001246583356 988121165 /nfs/dbraw/zinc/12/11/65/988121165.db2.gz JURDXDKFUBVOFZ-CHWSQXEVSA-N 1 3 225.380 1.141 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246585832 988139697 /nfs/dbraw/zinc/13/96/97/988139697.db2.gz RGSBJDUSWQZTGG-CYDGBPFRSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246585832 988139707 /nfs/dbraw/zinc/13/97/07/988139707.db2.gz RGSBJDUSWQZTGG-CYDGBPFRSA-N 1 3 240.391 1.453 20 0 BDADHO CC1(C)C[N@H+](C2CCNCC2)[C@](C)(CO)C1 ZINC001246588881 988154391 /nfs/dbraw/zinc/15/43/91/988154391.db2.gz LPEYIARCTWNOSR-ZDUSSCGKSA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@@H+](C2CCNCC2)[C@](C)(CO)C1 ZINC001246588881 988154403 /nfs/dbraw/zinc/15/44/03/988154403.db2.gz LPEYIARCTWNOSR-ZDUSSCGKSA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@H+]([C@H]2CCCNC2)[C@@](C)(CO)C1 ZINC001246591674 988173195 /nfs/dbraw/zinc/17/31/95/988173195.db2.gz WWDLVOAPPWQKKN-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)C[N@@H+]([C@H]2CCCNC2)[C@@](C)(CO)C1 ZINC001246591674 988173206 /nfs/dbraw/zinc/17/32/06/988173206.db2.gz WWDLVOAPPWQKKN-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599967 988211187 /nfs/dbraw/zinc/21/11/87/988211187.db2.gz QLEVCFUPSOLQEO-CYDGBPFRSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599967 988211204 /nfs/dbraw/zinc/21/12/04/988211204.db2.gz QLEVCFUPSOLQEO-CYDGBPFRSA-N 1 3 226.364 1.362 20 0 BDADHO COC(=O)CC[C@@H](C)N1CCC(F)(C[NH3+])CC1 ZINC001246630751 988306974 /nfs/dbraw/zinc/30/69/74/988306974.db2.gz VCPWLEHKDSJERC-SNVBAGLBSA-N 1 3 246.326 1.091 20 0 BDADHO COC(=O)CC[C@H](C)N1CCC(F)(C[NH3+])CC1 ZINC001246630748 988307531 /nfs/dbraw/zinc/30/75/31/988307531.db2.gz VCPWLEHKDSJERC-JTQLQIEISA-N 1 3 246.326 1.091 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N3CC[C@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246637799 988324965 /nfs/dbraw/zinc/32/49/65/988324965.db2.gz KTVRAWSLSRYGJP-NZEXEKPDSA-N 1 3 220.360 1.857 20 0 BDADHO CC[C@@H]1CC[C@H](N2CCN[C@@]3(CC[NH2+]C3)C2)C1 ZINC001246638302 988334695 /nfs/dbraw/zinc/33/46/95/988334695.db2.gz RTCRUKWZFLVFPA-HZSPNIEDSA-N 1 3 237.391 1.202 20 0 BDADHO CCCC[C@@H]1C[C@@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246820378 988509842 /nfs/dbraw/zinc/50/98/42/988509842.db2.gz NZQQLHGNIDZUOT-MROQNXINSA-N 1 3 243.370 1.278 20 0 BDADHO CC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246850912 988565968 /nfs/dbraw/zinc/56/59/68/988565968.db2.gz KCHXQFSJADVJCY-KGYLQXTDSA-N 1 3 224.348 1.428 20 0 BDADHO CC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001246850912 988565980 /nfs/dbraw/zinc/56/59/80/988565980.db2.gz KCHXQFSJADVJCY-KGYLQXTDSA-N 1 3 224.348 1.428 20 0 BDADHO [NH3+][C@]12CC[C@H]1CN([C@@H]1CCc3ncsc3C1)C2 ZINC001246851269 988569435 /nfs/dbraw/zinc/56/94/35/988569435.db2.gz FBWJRAYDEHXMSH-CWSCBRNRSA-N 1 3 249.383 1.424 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858366 988589851 /nfs/dbraw/zinc/58/98/51/988589851.db2.gz GASNYFMBGSQHJV-HTFCKZLJSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858366 988589869 /nfs/dbraw/zinc/58/98/69/988589869.db2.gz GASNYFMBGSQHJV-HTFCKZLJSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1C[C@H](N2CCC(C(N)=S)CC2)CC[NH2+]1 ZINC001246901141 988674003 /nfs/dbraw/zinc/67/40/03/988674003.db2.gz ZBLMNLMGZCPRMK-GXSJLCMTSA-N 1 3 241.404 1.125 20 0 BDADHO C[C@H]1C[C@H]([NH+]2CCC(C(N)=S)CC2)CCN1 ZINC001246901141 988674007 /nfs/dbraw/zinc/67/40/07/988674007.db2.gz ZBLMNLMGZCPRMK-GXSJLCMTSA-N 1 3 241.404 1.125 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)CCN1 ZINC001246919848 988729454 /nfs/dbraw/zinc/72/94/54/988729454.db2.gz SCVXOZATYXWRHW-AAVRWANBSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)CCN1 ZINC001246919848 988729474 /nfs/dbraw/zinc/72/94/74/988729474.db2.gz SCVXOZATYXWRHW-AAVRWANBSA-N 1 3 237.391 1.153 20 0 BDADHO CC(C)(C)[C@H]1C[C@@H](N2CCNC2)CC[NH2+]1 ZINC001246989842 988822455 /nfs/dbraw/zinc/82/24/55/988822455.db2.gz IPJFTULWRYYVIC-WDEREUQCSA-N 1 3 211.353 1.016 20 0 BDADHO C[C@@H]1C[C@@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996527 988827714 /nfs/dbraw/zinc/82/77/14/988827714.db2.gz PBGBFFFZAKGMPQ-DYEKYZERSA-N 1 3 235.375 1.469 20 0 BDADHO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001247000380 988832483 /nfs/dbraw/zinc/83/24/83/988832483.db2.gz ICXCBLVSZAKXHT-GMXVVIOVSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CC[N@H+]([C@H]2CCN[C@@H](C)C2)C1 ZINC001247000380 988832485 /nfs/dbraw/zinc/83/24/85/988832485.db2.gz ICXCBLVSZAKXHT-GMXVVIOVSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CCN([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001247000380 988832488 /nfs/dbraw/zinc/83/24/88/988832488.db2.gz ICXCBLVSZAKXHT-GMXVVIOVSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC001247000379 988833954 /nfs/dbraw/zinc/83/39/54/988833954.db2.gz ICXCBLVSZAKXHT-DMDPSCGWSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC001247000379 988833957 /nfs/dbraw/zinc/83/39/57/988833957.db2.gz ICXCBLVSZAKXHT-DMDPSCGWSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@]1(C)CCN([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001247000379 988833962 /nfs/dbraw/zinc/83/39/62/988833962.db2.gz ICXCBLVSZAKXHT-DMDPSCGWSA-N 1 3 240.347 1.012 20 0 BDADHO C[C@H](Cn1cccn1)NCC[C@H](C)[NH+](C)C ZINC001119449509 989083628 /nfs/dbraw/zinc/08/36/28/989083628.db2.gz ACBYUAUFVINFAA-NEPJUHHUSA-N 1 3 224.352 1.201 20 0 BDADHO C1C[NH2+][C@@H](c2noc([C@H]3CCCCCN3)n2)C1 ZINC001326978133 989798146 /nfs/dbraw/zinc/79/81/46/989798146.db2.gz NQQQASAOFPIHJY-NXEZZACHSA-N 1 3 236.319 1.699 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC001122143803 990259731 /nfs/dbraw/zinc/25/97/31/990259731.db2.gz QGKVCZWWFTXOPV-WDEREUQCSA-N 1 3 241.379 1.138 20 0 BDADHO C[NH+]1CCC2(C[NH+](Cc3ncccc3[O-])C2)CC1 ZINC001138395296 990935787 /nfs/dbraw/zinc/93/57/87/990935787.db2.gz BFQJQUICOMPYMC-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO C[NH+]1CCC2(CN(Cc3ncccc3O)C2)CC1 ZINC001138395296 990935795 /nfs/dbraw/zinc/93/57/95/990935795.db2.gz BFQJQUICOMPYMC-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC001258105959 991015580 /nfs/dbraw/zinc/01/55/80/991015580.db2.gz VFOBLPUGDMYOLU-NEPJUHHUSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@H+]1CCC[C@H](N)C1 ZINC001258105959 991015588 /nfs/dbraw/zinc/01/55/88/991015588.db2.gz VFOBLPUGDMYOLU-NEPJUHHUSA-N 1 3 242.363 1.531 20 0 BDADHO CC1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@@H]23)C1 ZINC001561052892 991707012 /nfs/dbraw/zinc/70/70/12/991707012.db2.gz OCHPPFKFGFCHAP-MMJCSWOSSA-N 1 3 208.349 1.715 20 0 BDADHO CCC[NH+]1CCC(N2CCOC[C@@H](C)C2)CC1 ZINC001258771692 991737732 /nfs/dbraw/zinc/73/77/32/991737732.db2.gz OZUNKHWPDFTHTB-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CCC[NH+]1CCC(N2CCC(CO)CC2)CC1 ZINC001258772367 991737755 /nfs/dbraw/zinc/73/77/55/991737755.db2.gz OOBUYEYKQLAJGS-UHFFFAOYSA-N 1 3 240.391 1.565 20 0 BDADHO CC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001568466758 992170767 /nfs/dbraw/zinc/17/07/67/992170767.db2.gz GMIBYPWKYSHQFU-NEPJUHHUSA-N 1 3 243.395 1.077 20 0 BDADHO CCC[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001570653703 992494770 /nfs/dbraw/zinc/49/47/70/992494770.db2.gz VBNRUERVIHZCNL-NEPJUHHUSA-N 1 3 243.395 1.219 20 0 BDADHO C(CN1CCCCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001574801857 992913507 /nfs/dbraw/zinc/91/35/07/992913507.db2.gz ZLFFEIVXBAIGSC-KGLIPLIRSA-N 1 3 237.391 1.347 20 0 BDADHO CC(C)(N)C[NH2+]CCOCC(F)(F)C(F)F ZINC001575358376 993023549 /nfs/dbraw/zinc/02/35/49/993023549.db2.gz POVWHIQDUUCNLI-UHFFFAOYSA-N 1 3 246.248 1.230 20 0 BDADHO CC(C)C[C@H](O)CNC[C@@H]([NH3+])CC(F)(F)F ZINC001575548882 993068785 /nfs/dbraw/zinc/06/87/85/993068785.db2.gz CIMFNGZRUPGAAA-IUCAKERBSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC001575618258 993085545 /nfs/dbraw/zinc/08/55/45/993085545.db2.gz BVECIAUFGMRPDE-GARJFASQSA-N 1 3 214.353 1.109 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOCC1CCC1 ZINC001576380735 993284696 /nfs/dbraw/zinc/28/46/96/993284696.db2.gz XQSKDHXKFODOOA-RYUDHWBXSA-N 1 3 226.364 1.519 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC001576381676 993289862 /nfs/dbraw/zinc/28/98/62/993289862.db2.gz DEFRPERUUVCDRM-AIGXORKKSA-N 1 3 236.359 1.125 20 0 BDADHO C[C@]1(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CCCNC1 ZINC001576502949 993325357 /nfs/dbraw/zinc/32/53/57/993325357.db2.gz JLZBVDZZQZZLTG-RQJABVFESA-N 1 3 238.375 1.079 20 0 BDADHO C[C@]1(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CCCNC1 ZINC001576502949 993325366 /nfs/dbraw/zinc/32/53/66/993325366.db2.gz JLZBVDZZQZZLTG-RQJABVFESA-N 1 3 238.375 1.079 20 0 BDADHO NC[C@@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000380668637 993341732 /nfs/dbraw/zinc/34/17/32/993341732.db2.gz AIOBYBBOUGREIK-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000380668637 993341738 /nfs/dbraw/zinc/34/17/38/993341738.db2.gz AIOBYBBOUGREIK-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000380668636 993342972 /nfs/dbraw/zinc/34/29/72/993342972.db2.gz AIOBYBBOUGREIK-QWHCGFSZSA-N 1 3 226.364 1.474 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000380668636 993342978 /nfs/dbraw/zinc/34/29/78/993342978.db2.gz AIOBYBBOUGREIK-QWHCGFSZSA-N 1 3 226.364 1.474 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC001576729685 993407482 /nfs/dbraw/zinc/40/74/82/993407482.db2.gz VZVYCZBQXICMQA-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]1CN(C[C@H]2CC[C@@H]([NH3+])C2)CCC1=O ZINC001576807227 993427286 /nfs/dbraw/zinc/42/72/86/993427286.db2.gz OIVUIRIFILALMQ-GARJFASQSA-N 1 3 210.321 1.025 20 0 BDADHO C[C@H]1C[NH2+]C[C@@H](NCCC2CSC2)C1 ZINC001576850580 993434019 /nfs/dbraw/zinc/43/40/19/993434019.db2.gz UIUIURXMNSLLDP-KOLCDFICSA-N 1 3 214.378 1.327 20 0 BDADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC001576914766 993448964 /nfs/dbraw/zinc/44/89/64/993448964.db2.gz NGOIACOOZCYFJS-RTGHZJGBSA-N 1 3 212.337 1.029 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001576914766 993448971 /nfs/dbraw/zinc/44/89/71/993448971.db2.gz NGOIACOOZCYFJS-RTGHZJGBSA-N 1 3 212.337 1.029 20 0 BDADHO CC[C@@](C)(O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001576959317 993466626 /nfs/dbraw/zinc/46/66/26/993466626.db2.gz FFHIQPYUUVOWPX-CHWSQXEVSA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC001576969360 993473772 /nfs/dbraw/zinc/47/37/72/993473772.db2.gz BJFUVWAGQMVUBF-QNWHQSFQSA-N 1 3 240.391 1.643 20 0 BDADHO CC[C@@H](C)[C@H](CNC(C)(C)C[NH3+])OC ZINC001576972046 993478600 /nfs/dbraw/zinc/47/86/00/993478600.db2.gz QRFPYANLDRJTTJ-ZJUUUORDSA-N 1 3 202.342 1.374 20 0 BDADHO CC(C)CN(C[C@@H](O)C[N@H+](C)C(C)C)C1CC1 ZINC000383591682 993503308 /nfs/dbraw/zinc/50/33/08/993503308.db2.gz OADLTHNJAAGVCQ-AWEZNQCLSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)CN(C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000383591682 993503319 /nfs/dbraw/zinc/50/33/19/993503319.db2.gz OADLTHNJAAGVCQ-AWEZNQCLSA-N 1 3 242.407 1.808 20 0 BDADHO CC[C@@H](Cc1ccccc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001577096594 993504193 /nfs/dbraw/zinc/50/41/93/993504193.db2.gz RXKGXGBFVSOSFK-QLFBSQMISA-N 1 3 248.370 1.178 20 0 BDADHO CC[C@@H](Cc1ccccc1)NC[C@]1(O)CC[NH2+]C1 ZINC001577096507 993504206 /nfs/dbraw/zinc/50/42/06/993504206.db2.gz PDYIBXPTLVVEKW-GJZGRUSLSA-N 1 3 248.370 1.322 20 0 BDADHO Cc1nc2c(n1[C@H]1CCC[N@@H+](C)C1)CNCC2 ZINC000383941435 993532676 /nfs/dbraw/zinc/53/26/76/993532676.db2.gz VFGJAEBAMIHEKR-NSHDSACASA-N 1 3 234.347 1.104 20 0 BDADHO Cc1nc2c(n1[C@H]1CCC[N@H+](C)C1)CNCC2 ZINC000383941435 993532687 /nfs/dbraw/zinc/53/26/87/993532687.db2.gz VFGJAEBAMIHEKR-NSHDSACASA-N 1 3 234.347 1.104 20 0 BDADHO CC[C@H]([NH2+]CC(C)(C)CN)[C@H](O)C(C)C ZINC001577176309 993532829 /nfs/dbraw/zinc/53/28/29/993532829.db2.gz YSJXYGQATFYHFL-WDEREUQCSA-N 1 3 216.369 1.356 20 0 BDADHO CC[C@@H]([NH2+]CC(C)(C)CN)[C@H](O)C(C)C ZINC001577176306 993534202 /nfs/dbraw/zinc/53/42/02/993534202.db2.gz YSJXYGQATFYHFL-GHMZBOCLSA-N 1 3 216.369 1.356 20 0 BDADHO CC[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001577182820 993537972 /nfs/dbraw/zinc/53/79/72/993537972.db2.gz SZDBUPONQGQPQA-FRRDWIJNSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](O)C[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001577182820 993537984 /nfs/dbraw/zinc/53/79/84/993537984.db2.gz SZDBUPONQGQPQA-FRRDWIJNSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001577240809 993553568 /nfs/dbraw/zinc/55/35/68/993553568.db2.gz NDEVMAFQERYNKY-NNYUYHANSA-N 1 3 212.337 1.271 20 0 BDADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001577401008 993645543 /nfs/dbraw/zinc/64/55/43/993645543.db2.gz UCGXZDSPRSZEHD-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001577401008 993645548 /nfs/dbraw/zinc/64/55/48/993645548.db2.gz UCGXZDSPRSZEHD-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@H](C)N(C)C[C@H](O)C[NH+](CC)CC ZINC000389666116 993760731 /nfs/dbraw/zinc/76/07/31/993760731.db2.gz OIXBPSADVZENIP-RYUDHWBXSA-N 1 3 216.369 1.419 20 0 BDADHO CC(C)O[C@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000701658426 993897044 /nfs/dbraw/zinc/89/70/44/993897044.db2.gz RXAVVATYAOYZHH-AGIUHOORSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658426 993897040 /nfs/dbraw/zinc/89/70/40/993897040.db2.gz RXAVVATYAOYZHH-AGIUHOORSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000701658426 993897047 /nfs/dbraw/zinc/89/70/47/993897047.db2.gz RXAVVATYAOYZHH-AGIUHOORSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@H]1C[N@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC000724416768 994065936 /nfs/dbraw/zinc/06/59/36/994065936.db2.gz FSUDNMPIUBBNSO-PDWCTOEPSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@H]1C[N@@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1CN ZINC000724416768 994065945 /nfs/dbraw/zinc/06/59/45/994065945.db2.gz FSUDNMPIUBBNSO-PDWCTOEPSA-N 1 3 240.391 1.717 20 0 BDADHO CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001283676737 994289322 /nfs/dbraw/zinc/28/93/22/994289322.db2.gz DGTBGWDKBZOZDN-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)N(C)C ZINC001283676730 994289986 /nfs/dbraw/zinc/28/99/86/994289986.db2.gz DGTBGWDKBZOZDN-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000300976294 349486681 /nfs/dbraw/zinc/48/66/81/349486681.db2.gz HQSIIRQEPNCFOX-KKOKHZNYSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCC1(O)CCC1 ZINC000643488737 398146257 /nfs/dbraw/zinc/14/62/57/398146257.db2.gz LIGBMHVVOMMVQQ-VXGBXAGGSA-N 1 3 226.364 1.541 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCOCC1CCCC1 ZINC000313278286 398182231 /nfs/dbraw/zinc/18/22/31/398182231.db2.gz FQGTXZIBHKHEQI-ZIAGYGMSSA-N 1 3 240.391 1.910 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000313278286 398182235 /nfs/dbraw/zinc/18/22/35/398182235.db2.gz FQGTXZIBHKHEQI-ZIAGYGMSSA-N 1 3 240.391 1.910 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3cn[nH]c3)C[C@@H]21 ZINC000379746315 398163885 /nfs/dbraw/zinc/16/38/85/398163885.db2.gz BWXGSPNMMFCIMZ-FRRDWIJNSA-N 1 3 234.347 1.011 20 0 BDADHO Cc1cc(N[C@@H]2CCCN(C)[C@H]2C)cc[nH+]1 ZINC000336745731 398186057 /nfs/dbraw/zinc/18/60/57/398186057.db2.gz QWEVWPKSGOUKLH-WCQYABFASA-N 1 3 219.332 1.707 20 0 BDADHO COC[C@@H](C)CN[C@H]1CCCC[NH2+]C1 ZINC000576250559 365538064 /nfs/dbraw/zinc/53/80/64/365538064.db2.gz ATCNTIJUZNNMDN-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO Cc1cc(C)n(CCN[C@](C)(C[NH3+])C(C)C)n1 ZINC000649410680 398209328 /nfs/dbraw/zinc/20/93/28/398209328.db2.gz MVFPWGRDBTWPIM-CYBMUJFWSA-N 1 3 238.379 1.463 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)CC(F)F ZINC000647800624 398207203 /nfs/dbraw/zinc/20/72/03/398207203.db2.gz HZUINWMYZMWCCR-GUBZILKMSA-N 1 3 220.307 1.995 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000069720630 398213536 /nfs/dbraw/zinc/21/35/36/398213536.db2.gz BIPLKOCMJCGGSZ-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1C[C@@H]1CCCOC1 ZINC000069720630 398213537 /nfs/dbraw/zinc/21/35/37/398213537.db2.gz BIPLKOCMJCGGSZ-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCS[C@H]1C ZINC000647803989 398214545 /nfs/dbraw/zinc/21/45/45/398214545.db2.gz GZZHWQWQBMSZBN-NGDQXYMTSA-N 1 3 244.404 1.222 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCS[C@H]1C ZINC000647803989 398214547 /nfs/dbraw/zinc/21/45/47/398214547.db2.gz GZZHWQWQBMSZBN-NGDQXYMTSA-N 1 3 244.404 1.222 20 0 BDADHO CN(CCCC1CC[NH2+]CC1)Cc1cn[nH]c1 ZINC000649413508 398211807 /nfs/dbraw/zinc/21/18/07/398211807.db2.gz BBTJBFYWOAGDOQ-UHFFFAOYSA-N 1 3 236.363 1.621 20 0 BDADHO CCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092630157 398235833 /nfs/dbraw/zinc/23/58/33/398235833.db2.gz WIMMSFWAPMHUPL-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000092630157 398235835 /nfs/dbraw/zinc/23/58/35/398235835.db2.gz WIMMSFWAPMHUPL-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000381273170 398249606 /nfs/dbraw/zinc/24/96/06/398249606.db2.gz IJHMPWCEXWXBQZ-LOWDOPEQSA-N 1 3 228.380 1.907 20 0 BDADHO COCC[NH2+]C1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000565060448 323009494 /nfs/dbraw/zinc/00/94/94/323009494.db2.gz JHQKIPMFVMBBNH-NWDGAFQWSA-N 1 3 226.364 1.343 20 0 BDADHO C[N@H+](C[C@H](O)CNCC1=CCCCC1)C1CC1 ZINC000379757556 361868178 /nfs/dbraw/zinc/86/81/78/361868178.db2.gz ZECGCELGGUGKFJ-CQSZACIVSA-N 1 3 238.375 1.532 20 0 BDADHO C[N@@H+](C[C@H](O)CNCC1=CCCCC1)C1CC1 ZINC000379757556 361868183 /nfs/dbraw/zinc/86/81/83/361868183.db2.gz ZECGCELGGUGKFJ-CQSZACIVSA-N 1 3 238.375 1.532 20 0 BDADHO Cc1nccnc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000631826123 398279903 /nfs/dbraw/zinc/27/99/03/398279903.db2.gz FOAHZBUPFMSVMT-UHFFFAOYSA-N 1 3 246.358 1.361 20 0 BDADHO CCC(CC)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000110758009 168387993 /nfs/dbraw/zinc/38/79/93/168387993.db2.gz UGCDYCAQWBAMDV-UHFFFAOYSA-N 1 3 241.423 1.791 20 0 BDADHO CC[C@@H](N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[NH2+]1 ZINC000333227021 342815435 /nfs/dbraw/zinc/81/54/35/342815435.db2.gz BCJRAEXKJVHDNG-UTUOFQBUSA-N 1 3 248.374 1.387 20 0 BDADHO CC[C@@H](N[C@@H]1CCc2[nH]cnc2C1)[C@@H]1CCC[NH2+]1 ZINC000333227021 342815436 /nfs/dbraw/zinc/81/54/36/342815436.db2.gz BCJRAEXKJVHDNG-UTUOFQBUSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](NCc1cc[nH]n1)C1CC[NH+](C)CC1 ZINC000041014955 538973845 /nfs/dbraw/zinc/97/38/45/538973845.db2.gz OODFARVKYIBBPK-SNVBAGLBSA-N 1 3 222.336 1.230 20 0 BDADHO Cn1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000335634076 136241523 /nfs/dbraw/zinc/24/15/23/136241523.db2.gz MBAJEZLMRACDHQ-KBPBESRZSA-N 1 3 248.374 1.242 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000392184292 539027902 /nfs/dbraw/zinc/02/79/02/539027902.db2.gz BTGSMQQEXPPXEV-KBPBESRZSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@H]1CC[C@H](N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000062948525 539017330 /nfs/dbraw/zinc/01/73/30/539017330.db2.gz VPNJDDBMHHSZJO-AAEUAGOBSA-N 1 3 225.380 1.153 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000167202932 136244758 /nfs/dbraw/zinc/24/47/58/136244758.db2.gz YGLKODRVZILGKG-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000167202932 136244759 /nfs/dbraw/zinc/24/47/59/136244759.db2.gz YGLKODRVZILGKG-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO Cc1ccncc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000167243901 136245025 /nfs/dbraw/zinc/24/50/25/136245025.db2.gz AEMMCIHIJDJJRO-WCQYABFASA-N 1 3 219.332 1.607 20 0 BDADHO CC[C@]1(O)CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000495259539 529441917 /nfs/dbraw/zinc/44/19/17/529441917.db2.gz APGXOXLCYNSNJG-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@]1(O)CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000495259539 529441918 /nfs/dbraw/zinc/44/19/18/529441918.db2.gz APGXOXLCYNSNJG-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CC(C)(O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918197 398335290 /nfs/dbraw/zinc/33/52/90/398335290.db2.gz PATZABMBWIVXPY-NEPJUHHUSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)C[C@@H](C)CN1CCCO[C@@H](C[NH3+])C1 ZINC000313354099 259334094 /nfs/dbraw/zinc/33/40/94/259334094.db2.gz QARRZMCEJUKDFR-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391714 488190566 /nfs/dbraw/zinc/19/05/66/488190566.db2.gz DZSRNBWSOUUJKA-LLVKDONJSA-N 1 3 236.363 1.935 20 0 BDADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391714 488190568 /nfs/dbraw/zinc/19/05/68/488190568.db2.gz DZSRNBWSOUUJKA-LLVKDONJSA-N 1 3 236.363 1.935 20 0 BDADHO C[C@@H](C(=O)NCCCC[NH3+])[C@@H](N)c1ccccc1 ZINC000131715618 343184295 /nfs/dbraw/zinc/18/42/95/343184295.db2.gz WMJUDLLDUDTSIH-DGCLKSJQSA-N 1 3 249.358 1.178 20 0 BDADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCOC1 ZINC000159810752 343202871 /nfs/dbraw/zinc/20/28/71/343202871.db2.gz VKZKCAZMCBZNDK-OAHLLOKOSA-N 1 3 246.354 1.553 20 0 BDADHO CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCOC1 ZINC000159810872 343203032 /nfs/dbraw/zinc/20/30/32/343203032.db2.gz VKZKCAZMCBZNDK-HNNXBMFYSA-N 1 3 246.354 1.553 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000134388834 343194257 /nfs/dbraw/zinc/19/42/57/343194257.db2.gz PEVNENPVNFGETM-RWMBFGLXSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCO[C@H]2C)C1 ZINC000134388834 343194258 /nfs/dbraw/zinc/19/42/58/343194258.db2.gz PEVNENPVNFGETM-RWMBFGLXSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCO[C@H]2C)C1 ZINC000134388834 343194259 /nfs/dbraw/zinc/19/42/59/343194259.db2.gz PEVNENPVNFGETM-RWMBFGLXSA-N 1 3 226.364 1.484 20 0 BDADHO C[NH2+]C[C@](C)(O)CN(C)C[C@@H](C)C(C)(C)C ZINC000634688262 343246657 /nfs/dbraw/zinc/24/66/57/343246657.db2.gz NHPGFJLJHNTELA-YPMHNXCESA-N 1 3 230.396 1.571 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@H](C[NH3+])C(C)(C)C)O1 ZINC000634688493 343247930 /nfs/dbraw/zinc/24/79/30/343247930.db2.gz UMMMRWYGDUSARF-OUAUKWLOSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1nccn1CCC[NH+]1[C@@H](C)CNC[C@@H]1C ZINC000348756155 136297462 /nfs/dbraw/zinc/29/74/62/136297462.db2.gz MLJCDHFRWXQENO-RYUDHWBXSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000348754940 136297607 /nfs/dbraw/zinc/29/76/07/136297607.db2.gz DTPNKGQRFFTKLJ-DGCLKSJQSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000348754940 136297608 /nfs/dbraw/zinc/29/76/08/136297608.db2.gz DTPNKGQRFFTKLJ-DGCLKSJQSA-N 1 3 236.363 1.251 20 0 BDADHO CN(C)Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000037042475 343331644 /nfs/dbraw/zinc/33/16/44/343331644.db2.gz VVKQVJFXUNTBFV-ZDUSSCGKSA-N 1 3 247.342 1.439 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000070624130 343335875 /nfs/dbraw/zinc/33/58/75/343335875.db2.gz MLBRZJPXVLNBRW-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H](COC)NC[C@@H]1CC[N@H+](CC)C1 ZINC000070624130 343335877 /nfs/dbraw/zinc/33/58/77/343335877.db2.gz MLBRZJPXVLNBRW-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H](COC)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000070624130 343335879 /nfs/dbraw/zinc/33/58/79/343335879.db2.gz MLBRZJPXVLNBRW-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO [NH3+]C1(CNC2Cc3ccccc3C2)CCC1 ZINC000335649954 136304544 /nfs/dbraw/zinc/30/45/44/136304544.db2.gz RCCVRVAMAKAQDJ-UHFFFAOYSA-N 1 3 216.328 1.625 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H]1CCOC1 ZINC000166319844 136344846 /nfs/dbraw/zinc/34/48/46/136344846.db2.gz RRQMOPBGBKSHET-BXUZGUMPSA-N 1 3 246.354 1.804 20 0 BDADHO CC[C@H](O)[C@H](CC)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400338070 529711956 /nfs/dbraw/zinc/71/19/56/529711956.db2.gz HYOCWSNXJRFILL-RHYQMDGZSA-N 1 3 214.353 1.124 20 0 BDADHO CC(C)OCCN1CCCC[C@H]1CC[NH3+] ZINC000082594543 343450769 /nfs/dbraw/zinc/45/07/69/343450769.db2.gz RZYGWWDZCNUSJS-LBPRGKRZSA-N 1 3 214.353 1.615 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130215259 136372577 /nfs/dbraw/zinc/37/25/77/136372577.db2.gz VPEYVKXRBBRSTR-XQQFMLRXSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@@H]3CCCOC3)CC[N@H+]2C1 ZINC000130215259 136372578 /nfs/dbraw/zinc/37/25/78/136372578.db2.gz VPEYVKXRBBRSTR-XQQFMLRXSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H](O)C(C)(C)[NH2+]CCNC(C)(C)C ZINC000230976738 343586460 /nfs/dbraw/zinc/58/64/60/343586460.db2.gz NKADCEOORRLKPZ-SECBINFHSA-N 1 3 202.342 1.124 20 0 BDADHO CC[C@@H](N)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000152878743 343610497 /nfs/dbraw/zinc/61/04/97/343610497.db2.gz JXFCDRATGNKVQX-GFCCVEGCSA-N 1 3 243.395 1.349 20 0 BDADHO CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000308588740 259366708 /nfs/dbraw/zinc/36/67/08/259366708.db2.gz UDPNAGMVFQRCMR-OUAUKWLOSA-N 1 3 200.326 1.271 20 0 BDADHO C([NH2+]C[C@@H]1CCCOC1)[C@@H]1CCCNC1 ZINC000087646743 343656047 /nfs/dbraw/zinc/65/60/47/343656047.db2.gz QZCMXWYKZUIMKS-NEPJUHHUSA-N 1 3 212.337 1.002 20 0 BDADHO COC[C@@H]([NH2+]C[C@H]1CCCNC1)C(C)C ZINC000087647478 343656189 /nfs/dbraw/zinc/65/61/89/343656189.db2.gz GUTRNDXNCWHLJT-NWDGAFQWSA-N 1 3 214.353 1.247 20 0 BDADHO COC[C@@H](NC[C@H]1CCC[NH2+]C1)C(C)C ZINC000087647478 343656191 /nfs/dbraw/zinc/65/61/91/343656191.db2.gz GUTRNDXNCWHLJT-NWDGAFQWSA-N 1 3 214.353 1.247 20 0 BDADHO Cc1cc(N)cc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000576121879 343718662 /nfs/dbraw/zinc/71/86/62/343718662.db2.gz PGMRAFLDPGPYFV-JSGCOSHPSA-N 1 3 233.359 1.937 20 0 BDADHO Cc1cc(N)cc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576121880 343718892 /nfs/dbraw/zinc/71/88/92/343718892.db2.gz PGMRAFLDPGPYFV-OCCSQVGLSA-N 1 3 233.359 1.937 20 0 BDADHO C[N@@H+]1CCC[C@@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000392767672 349876145 /nfs/dbraw/zinc/87/61/45/349876145.db2.gz UMKPKPLOAKVLNC-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO C[N@H+]1CCC[C@@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000392767672 349876150 /nfs/dbraw/zinc/87/61/50/349876150.db2.gz UMKPKPLOAKVLNC-LBPRGKRZSA-N 1 3 235.331 1.219 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000577214582 343919595 /nfs/dbraw/zinc/91/95/95/343919595.db2.gz MWKWSTSLWVTUFI-SYQHCUMBSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](C)N1CCC([NH2+]CCOC)CC1 ZINC000570689406 323067267 /nfs/dbraw/zinc/06/72/67/323067267.db2.gz MMMUIXZRMAFZPU-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@@H](CN[C@@H]1COC(C)(C)C1)C[NH+](C)C ZINC000396829681 349904486 /nfs/dbraw/zinc/90/44/86/349904486.db2.gz PJAYRMXNMVXKJD-QWRGUYRKSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000306572187 344278546 /nfs/dbraw/zinc/27/85/46/344278546.db2.gz HOKXRASAFOIQSB-YTWAJWBKSA-N 1 3 214.378 1.597 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000306572187 344278547 /nfs/dbraw/zinc/27/85/47/344278547.db2.gz HOKXRASAFOIQSB-YTWAJWBKSA-N 1 3 214.378 1.597 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]CCCN1CCCC1 ZINC000132250903 344289424 /nfs/dbraw/zinc/28/94/24/344289424.db2.gz WGGMDKMOIRFTHT-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[NH+]1CCCC1 ZINC000132250903 344289426 /nfs/dbraw/zinc/28/94/26/344289426.db2.gz WGGMDKMOIRFTHT-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@H](N)CC)c1 ZINC000131645138 344318862 /nfs/dbraw/zinc/31/88/62/344318862.db2.gz UOCWBWWXVYHIQO-GFCCVEGCSA-N 1 3 235.331 1.472 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)N ZINC000131650166 344319067 /nfs/dbraw/zinc/31/90/67/344319067.db2.gz RAYARTMNRGUQBI-VIFPVBQESA-N 1 3 221.304 1.082 20 0 BDADHO COC(=O)CCCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000600699735 344359794 /nfs/dbraw/zinc/35/97/94/344359794.db2.gz CQNIZDPWNRHACN-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CCCCC(=O)OC)C1 ZINC000600700653 344359938 /nfs/dbraw/zinc/35/99/38/344359938.db2.gz DOCIJYCCAYWIQJ-GFCCVEGCSA-N 1 3 242.363 1.261 20 0 BDADHO COC(=O)CCCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000600707053 344360450 /nfs/dbraw/zinc/36/04/50/344360450.db2.gz XGPJKMLQHYBUQA-GFCCVEGCSA-N 1 3 244.379 1.635 20 0 BDADHO COC(=O)CCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000600708725 344361005 /nfs/dbraw/zinc/36/10/05/344361005.db2.gz FNUOSYFHQNXUDQ-LLVKDONJSA-N 1 3 242.363 1.307 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000228278143 347066111 /nfs/dbraw/zinc/06/61/11/347066111.db2.gz YWENNPNZTZGLSX-TUAOUCFPSA-N 1 3 214.353 1.255 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449521619 344766707 /nfs/dbraw/zinc/76/67/07/344766707.db2.gz IZLQCRPEUYXUOL-XJFOESAGSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449521619 344766709 /nfs/dbraw/zinc/76/67/09/344766709.db2.gz IZLQCRPEUYXUOL-XJFOESAGSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860140 344786198 /nfs/dbraw/zinc/78/61/98/344786198.db2.gz WRPDQJBPIOBNDP-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860140 344786200 /nfs/dbraw/zinc/78/62/00/344786200.db2.gz WRPDQJBPIOBNDP-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129223104 192079920 /nfs/dbraw/zinc/07/99/20/192079920.db2.gz SAMVTZULLWRYJN-QWHCGFSZSA-N 1 3 240.391 1.608 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CCSC1 ZINC000224621405 344957096 /nfs/dbraw/zinc/95/70/96/344957096.db2.gz GQOMWEAJSGZPQZ-VWYCJHECSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CCSC1 ZINC000224621405 344957098 /nfs/dbraw/zinc/95/70/98/344957098.db2.gz GQOMWEAJSGZPQZ-VWYCJHECSA-N 1 3 214.378 1.551 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCSC1 ZINC000224621405 344957099 /nfs/dbraw/zinc/95/70/99/344957099.db2.gz GQOMWEAJSGZPQZ-VWYCJHECSA-N 1 3 214.378 1.551 20 0 BDADHO CC[C@H](C)[C@@H](C)NC[C@]1(COC)CCC[NH2+]1 ZINC000318834360 323083047 /nfs/dbraw/zinc/08/30/47/323083047.db2.gz AMCDKZHONGXYCH-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO CCN1CC[C@H]2CC[C@@H](C1)N2CC12CC(C1)C[NH2+]2 ZINC000634993346 345189561 /nfs/dbraw/zinc/18/95/61/345189561.db2.gz RHNZLXNMVUBQFT-FUUBYGMNSA-N 1 3 249.402 1.297 20 0 BDADHO CC(C)CN1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991782 345178656 /nfs/dbraw/zinc/17/86/56/345178656.db2.gz RIHBPQQIAGEZIQ-UHFFFAOYSA-N 1 3 237.391 1.012 20 0 BDADHO C([NH2+][C@H]1CCC[C@@H]2OCC[C@@H]21)C12CC(C1)CN2 ZINC000634995513 345185406 /nfs/dbraw/zinc/18/54/06/345185406.db2.gz HDHBMELYFBHVOD-FRAWFVRRSA-N 1 3 236.359 1.286 20 0 BDADHO C(N[C@H]1CCC[C@@H]2OCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634995513 345185409 /nfs/dbraw/zinc/18/54/09/345185409.db2.gz HDHBMELYFBHVOD-FRAWFVRRSA-N 1 3 236.359 1.286 20 0 BDADHO CC(C)[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156146100 345128302 /nfs/dbraw/zinc/12/83/02/345128302.db2.gz LRJTWZTUJXHHKO-UPJWGTAASA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156146100 345128304 /nfs/dbraw/zinc/12/83/04/345128304.db2.gz LRJTWZTUJXHHKO-UPJWGTAASA-N 1 3 226.364 1.220 20 0 BDADHO CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000156152699 345133342 /nfs/dbraw/zinc/13/33/42/345133342.db2.gz VRVOXQQZVTXNRN-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000156152699 345133345 /nfs/dbraw/zinc/13/33/45/345133345.db2.gz VRVOXQQZVTXNRN-NWDGAFQWSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000393633850 345153145 /nfs/dbraw/zinc/15/31/45/345153145.db2.gz LJBUGROSDCADHJ-YNEHKIRRSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])[C@H](C)O1 ZINC000635003430 345206260 /nfs/dbraw/zinc/20/62/60/345206260.db2.gz DBQZFBJSMYEFNR-SJHCENCUSA-N 1 3 226.364 1.802 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004334 345207577 /nfs/dbraw/zinc/20/75/77/345207577.db2.gz HZZJJZWDVMGKDU-CYDGBPFRSA-N 1 3 248.374 1.996 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCNCC[C@H]1C ZINC000635004903 345208527 /nfs/dbraw/zinc/20/85/27/345208527.db2.gz RECMRUVKUHHTKI-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@H]1CCOC1 ZINC000635010224 345212738 /nfs/dbraw/zinc/21/27/38/345212738.db2.gz JEVFZKJITWTNSF-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1CCOC2 ZINC000635012515 345214424 /nfs/dbraw/zinc/21/44/24/345214424.db2.gz MUUZYTPJYHFCSS-HUUCEWRRSA-N 1 3 246.354 1.729 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)C1CC1 ZINC000635012721 345215112 /nfs/dbraw/zinc/21/51/12/345215112.db2.gz VKCMSLOWLVBRKI-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)C1CC1 ZINC000635012721 345215115 /nfs/dbraw/zinc/21/51/15/345215115.db2.gz VKCMSLOWLVBRKI-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H](C)C[NH2+]CCCCN1CCN(C)CC1 ZINC000093061526 345655938 /nfs/dbraw/zinc/65/59/38/345655938.db2.gz UCPBJGPOUIDSEN-CQSZACIVSA-N 1 3 241.423 1.650 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC(C)CC1 ZINC000171648603 345800063 /nfs/dbraw/zinc/80/00/63/345800063.db2.gz LHMHWZRTWXPXLA-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC(C)CC1 ZINC000171648603 345800066 /nfs/dbraw/zinc/80/00/66/345800066.db2.gz LHMHWZRTWXPXLA-LBPRGKRZSA-N 1 3 214.353 1.031 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@@H]2C[NH3+])o1 ZINC000562959372 345839862 /nfs/dbraw/zinc/83/98/62/345839862.db2.gz GPNFCIHYIISMAL-YPMHNXCESA-N 1 3 222.332 1.848 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)o1 ZINC000562959372 345839865 /nfs/dbraw/zinc/83/98/65/345839865.db2.gz GPNFCIHYIISMAL-YPMHNXCESA-N 1 3 222.332 1.848 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)N[C@@H]1CC[C@H](C)C1 ZINC000641771642 362710281 /nfs/dbraw/zinc/71/02/81/362710281.db2.gz KRYLAGDOQIKBFE-BFHYXJOUSA-N 1 3 242.407 1.857 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000300365526 346432703 /nfs/dbraw/zinc/43/27/03/346432703.db2.gz RUQAQXVEMZLEPB-NOOOWODRSA-N 1 3 212.337 1.413 20 0 BDADHO c1cnc(CNCCCCC[NH+]2CCCC2)cn1 ZINC000574967708 346473211 /nfs/dbraw/zinc/47/32/11/346473211.db2.gz GZXCLIIXZOKVGI-UHFFFAOYSA-N 1 3 248.374 1.832 20 0 BDADHO Cn1cncc1CCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000641800706 362752111 /nfs/dbraw/zinc/75/21/11/362752111.db2.gz DFFBAXNFRPRBET-GXTWGEPZSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000641800706 362752116 /nfs/dbraw/zinc/75/21/16/362752116.db2.gz DFFBAXNFRPRBET-GXTWGEPZSA-N 1 3 248.374 1.037 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000641800706 362752121 /nfs/dbraw/zinc/75/21/21/362752121.db2.gz DFFBAXNFRPRBET-GXTWGEPZSA-N 1 3 248.374 1.037 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000571103604 323135553 /nfs/dbraw/zinc/13/55/53/323135553.db2.gz FBJPZWLWNHAPQF-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000571103604 323135554 /nfs/dbraw/zinc/13/55/54/323135554.db2.gz FBJPZWLWNHAPQF-QWHCGFSZSA-N 1 3 242.407 1.667 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(CC[C@H]1CCOC1)C2 ZINC000622004328 370655668 /nfs/dbraw/zinc/65/56/68/370655668.db2.gz NKUHWALLMLFBER-XQQFMLRXSA-N 1 3 224.348 1.226 20 0 BDADHO C[C@@H]1CC[N@H+](CCc2cncn2C)[C@H](CN)C1 ZINC000641819076 362771329 /nfs/dbraw/zinc/77/13/29/362771329.db2.gz HIBIFPFQTRQUAA-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CC[N@@H+](CCc2cncn2C)[C@H](CN)C1 ZINC000641819076 362771331 /nfs/dbraw/zinc/77/13/31/362771331.db2.gz HIBIFPFQTRQUAA-YPMHNXCESA-N 1 3 236.363 1.022 20 0 BDADHO CCN(CC)CCC[N@H+](C)CCCCO ZINC000196210185 347488989 /nfs/dbraw/zinc/48/89/89/347488989.db2.gz OAUXOCLCKBGTLR-UHFFFAOYSA-N 1 3 216.369 1.423 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CCCCO ZINC000196210185 347488992 /nfs/dbraw/zinc/48/89/92/347488992.db2.gz OAUXOCLCKBGTLR-UHFFFAOYSA-N 1 3 216.369 1.423 20 0 BDADHO NC1(C[NH2+]Cc2cccs2)CCOCC1 ZINC000149778725 347512834 /nfs/dbraw/zinc/51/28/34/347512834.db2.gz PUQBBDQCXUCRPO-UHFFFAOYSA-N 1 3 226.345 1.346 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCCC[C@@H]2CC[NH3+])O1 ZINC000149763143 347514135 /nfs/dbraw/zinc/51/41/35/347514135.db2.gz CUSAWALKDKAXSJ-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO FC(F)OCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000194036773 259396450 /nfs/dbraw/zinc/39/64/50/259396450.db2.gz YKICSOKLRNBIDQ-QWRGUYRKSA-N 1 3 248.317 1.832 20 0 BDADHO FC(F)OCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000194036773 259396451 /nfs/dbraw/zinc/39/64/51/259396451.db2.gz YKICSOKLRNBIDQ-QWRGUYRKSA-N 1 3 248.317 1.832 20 0 BDADHO CN(C)Cc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000070201923 349976283 /nfs/dbraw/zinc/97/62/83/349976283.db2.gz IKKQLMMBVDBVBM-UHFFFAOYSA-N 1 3 249.358 1.816 20 0 BDADHO CCn1cc(CN(C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000577377716 365939405 /nfs/dbraw/zinc/93/94/05/365939405.db2.gz XMWORMKFBJQXKY-LBPRGKRZSA-N 1 3 236.363 1.334 20 0 BDADHO CC[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000419316539 192120759 /nfs/dbraw/zinc/12/07/59/192120759.db2.gz XAYVMLLRISSJAA-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000419316539 192120760 /nfs/dbraw/zinc/12/07/60/192120760.db2.gz XAYVMLLRISSJAA-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO CC[C@H](CN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000419316539 192120761 /nfs/dbraw/zinc/12/07/61/192120761.db2.gz XAYVMLLRISSJAA-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000397400551 362884719 /nfs/dbraw/zinc/88/47/19/362884719.db2.gz QVFVXOTWPKCYRB-WZRBSPASSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCc2cn[nH]c2)C[C@@H]1CN ZINC000397400551 362884722 /nfs/dbraw/zinc/88/47/22/362884722.db2.gz QVFVXOTWPKCYRB-WZRBSPASSA-N 1 3 236.363 1.257 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCc2cn[nH]c2)C[C@@H]1CN ZINC000397400551 362884725 /nfs/dbraw/zinc/88/47/25/362884725.db2.gz QVFVXOTWPKCYRB-WZRBSPASSA-N 1 3 236.363 1.257 20 0 BDADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)N)[C@H]1C ZINC000598736043 349035491 /nfs/dbraw/zinc/03/54/91/349035491.db2.gz XEAXPEJAXKXSKK-FIQHERPVSA-N 1 3 242.363 1.291 20 0 BDADHO C[C@@H](NCC[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211533 323211757 /nfs/dbraw/zinc/21/17/57/323211757.db2.gz METULNBIFRYAIH-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCOC2)C1 ZINC000250515982 349175255 /nfs/dbraw/zinc/17/52/55/349175255.db2.gz QPSATRDGNGMACF-NEPJUHHUSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCOC2)C1 ZINC000250515982 349175256 /nfs/dbraw/zinc/17/52/56/349175256.db2.gz QPSATRDGNGMACF-NEPJUHHUSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCOC2)C1 ZINC000250515982 349175259 /nfs/dbraw/zinc/17/52/59/349175259.db2.gz QPSATRDGNGMACF-NEPJUHHUSA-N 1 3 212.337 1.095 20 0 BDADHO COC[C@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000253109594 349223785 /nfs/dbraw/zinc/22/37/85/349223785.db2.gz FRLNIBUBYHMKKR-FKJOKYEKSA-N 1 3 226.364 1.484 20 0 BDADHO CC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)OC ZINC000623528544 362946752 /nfs/dbraw/zinc/94/67/52/362946752.db2.gz SMZPSWIXISAJPH-NEPJUHHUSA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)OC ZINC000623528544 362946754 /nfs/dbraw/zinc/94/67/54/362946754.db2.gz SMZPSWIXISAJPH-NEPJUHHUSA-N 1 3 228.380 1.874 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300858948 349380296 /nfs/dbraw/zinc/38/02/96/349380296.db2.gz CERLAZDXUFFXDO-WDEREUQCSA-N 1 3 216.394 1.989 20 0 BDADHO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCCCC[C@@H]1N ZINC000581661113 350039249 /nfs/dbraw/zinc/03/92/49/350039249.db2.gz MCWNXPHLWPSYCG-FIQHERPVSA-N 1 3 212.337 1.413 20 0 BDADHO CC(C)N1CCC([NH2+]CCN(C)C)CC1 ZINC000021963954 350065064 /nfs/dbraw/zinc/06/50/64/350065064.db2.gz GIKATCHCHUWUGD-UHFFFAOYSA-N 1 3 213.369 1.010 20 0 BDADHO CC(C)[NH+]1CCC(NCCN(C)C)CC1 ZINC000021963954 350065066 /nfs/dbraw/zinc/06/50/66/350065066.db2.gz GIKATCHCHUWUGD-UHFFFAOYSA-N 1 3 213.369 1.010 20 0 BDADHO CN(C)CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071399960 350104500 /nfs/dbraw/zinc/10/45/00/350104500.db2.gz FKPJABGDLKHQJK-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO CCOC[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000132430632 191032671 /nfs/dbraw/zinc/03/26/71/191032671.db2.gz UXYYVNBYVHVCQV-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000132430632 191032674 /nfs/dbraw/zinc/03/26/74/191032674.db2.gz UXYYVNBYVHVCQV-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)CN(C)C(C)C ZINC000236824648 191061639 /nfs/dbraw/zinc/06/16/39/191061639.db2.gz ZXDDYDOQTUYYRH-GFCCVEGCSA-N 1 3 243.395 1.158 20 0 BDADHO C[C@@H](NC[C@H](C)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000422740379 192449846 /nfs/dbraw/zinc/44/98/46/192449846.db2.gz MPWSUOVKIHZFRU-QJPTWQEYSA-N 1 3 213.369 1.057 20 0 BDADHO Cc1nn(C)c(C)c1CN1CCC(C[NH3+])CC1 ZINC000020315718 180337096 /nfs/dbraw/zinc/33/70/96/180337096.db2.gz JILBCTIPNANPPC-UHFFFAOYSA-N 1 3 236.363 1.208 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000163257384 350511595 /nfs/dbraw/zinc/51/15/95/350511595.db2.gz IFGADPOCTBRJGY-BFHYXJOUSA-N 1 3 239.407 1.258 20 0 BDADHO CC(C)SCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000309478739 350564283 /nfs/dbraw/zinc/56/42/83/350564283.db2.gz VNAUKHAAWQJCOP-LBPRGKRZSA-N 1 3 246.420 1.173 20 0 BDADHO CC(C)SCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309478739 350564284 /nfs/dbraw/zinc/56/42/84/350564284.db2.gz VNAUKHAAWQJCOP-LBPRGKRZSA-N 1 3 246.420 1.173 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623553213 362974169 /nfs/dbraw/zinc/97/41/69/362974169.db2.gz KQBFZPSNKGAIAY-GHMZBOCLSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623553213 362974176 /nfs/dbraw/zinc/97/41/76/362974176.db2.gz KQBFZPSNKGAIAY-GHMZBOCLSA-N 1 3 214.353 1.220 20 0 BDADHO COC[C@@H](C)C[NH2+]C1(C)CCNCC1 ZINC000577589495 366007927 /nfs/dbraw/zinc/00/79/27/366007927.db2.gz CILRVSAMEAFFDL-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@H](CO)CCF)CC1(C)C ZINC000623560501 362985189 /nfs/dbraw/zinc/98/51/89/362985189.db2.gz IFWFECYIKLEJBE-MNOVXSKESA-N 1 3 232.343 1.169 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@H](CO)CCF)CC1(C)C ZINC000623560501 362985194 /nfs/dbraw/zinc/98/51/94/362985194.db2.gz IFWFECYIKLEJBE-MNOVXSKESA-N 1 3 232.343 1.169 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@H](CO)CCF)CC1(C)C ZINC000623560502 362985549 /nfs/dbraw/zinc/98/55/49/362985549.db2.gz IFWFECYIKLEJBE-QWRGUYRKSA-N 1 3 232.343 1.169 20 0 BDADHO C[N@H+]1CC[C@H](N[C@H](CO)CCF)CC1(C)C ZINC000623560502 362985554 /nfs/dbraw/zinc/98/55/54/362985554.db2.gz IFWFECYIKLEJBE-QWRGUYRKSA-N 1 3 232.343 1.169 20 0 BDADHO CCOCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000336684309 350920673 /nfs/dbraw/zinc/92/06/73/350920673.db2.gz FAALJTOTVAJJAB-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCOCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000336684309 350920675 /nfs/dbraw/zinc/92/06/75/350920675.db2.gz FAALJTOTVAJJAB-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOC(F)(F)F)C1 ZINC000398248612 351022040 /nfs/dbraw/zinc/02/20/40/351022040.db2.gz KCSUACYPUOLXSB-YUMQZZPRSA-N 1 3 226.242 1.382 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cnc(C3CC3)o2)C1 ZINC000628326948 351263658 /nfs/dbraw/zinc/26/36/58/351263658.db2.gz BWEQWOFSILJCJT-KLPPZKSPSA-N 1 3 249.358 1.982 20 0 BDADHO CCCC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336730020 351583577 /nfs/dbraw/zinc/58/35/77/351583577.db2.gz IALIDHZTUMNYBZ-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO NCc1cccc(NC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000637800690 351636327 /nfs/dbraw/zinc/63/63/27/351636327.db2.gz HISICTRKAOQBME-NSHDSACASA-N 1 3 231.299 1.131 20 0 BDADHO C[C@H]1C[C@H](CN(C)Cc2c[nH]cn2)CC[NH2+]1 ZINC000577650099 366032767 /nfs/dbraw/zinc/03/27/67/366032767.db2.gz CVXQLJAODDJINR-WDEREUQCSA-N 1 3 222.336 1.230 20 0 BDADHO C[C@H]1C[C@H](CN(C)Cc2cnc[nH]2)CC[NH2+]1 ZINC000577650099 366032771 /nfs/dbraw/zinc/03/27/71/366032771.db2.gz CVXQLJAODDJINR-WDEREUQCSA-N 1 3 222.336 1.230 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000637816453 351655816 /nfs/dbraw/zinc/65/58/16/351655816.db2.gz LWPBXQYHLYOOMB-NEPJUHHUSA-N 1 3 241.379 1.090 20 0 BDADHO COC(=O)[C@@H]1CC[N@H+](C[C@H](N)CC(C)C)[C@@H]1C ZINC000414764587 351700757 /nfs/dbraw/zinc/70/07/57/351700757.db2.gz YQLYWAOIPAFSGU-IJLUTSLNSA-N 1 3 242.363 1.243 20 0 BDADHO COC(=O)[C@@H]1CC[N@@H+](C[C@H](N)CC(C)C)[C@@H]1C ZINC000414764587 351700758 /nfs/dbraw/zinc/70/07/58/351700758.db2.gz YQLYWAOIPAFSGU-IJLUTSLNSA-N 1 3 242.363 1.243 20 0 BDADHO CCNCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000577720044 366042149 /nfs/dbraw/zinc/04/21/49/366042149.db2.gz NQMJWRRYHUPAGA-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CN(C)C1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637928156 351803433 /nfs/dbraw/zinc/80/34/33/351803433.db2.gz VGZPAFUFNHRCIT-CYBMUJFWSA-N 1 3 226.364 1.582 20 0 BDADHO CCC[C@H](CN1CC[C@H](C[NH+](C)C)C1)OC ZINC000638075734 351947430 /nfs/dbraw/zinc/94/74/30/351947430.db2.gz HFOMRNCZARZAGS-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638195265 352057863 /nfs/dbraw/zinc/05/78/63/352057863.db2.gz LARNLEIYJFOGCC-NEPJUHHUSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638195267 352058387 /nfs/dbraw/zinc/05/83/87/352058387.db2.gz LARNLEIYJFOGCC-NWDGAFQWSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638197408 352059175 /nfs/dbraw/zinc/05/91/75/352059175.db2.gz JOMMECPTMKDSOO-SRVKXCTJSA-N 1 3 241.379 1.136 20 0 BDADHO C[C@@H](NCCC[NH+](C)C)[C@@H]1CC1(F)F ZINC000638290916 352125015 /nfs/dbraw/zinc/12/50/15/352125015.db2.gz WMCFQLWFWFIVEX-BDAKNGLRSA-N 1 3 206.280 1.571 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270614 352108684 /nfs/dbraw/zinc/10/86/84/352108684.db2.gz JMGNMFFQVFZPME-QWRGUYRKSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638333155 352151683 /nfs/dbraw/zinc/15/16/83/352151683.db2.gz OTMRPIFNXJIMGD-MNOVXSKESA-N 1 3 243.395 1.240 20 0 BDADHO C[NH2+]CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC000638343221 352162544 /nfs/dbraw/zinc/16/25/44/352162544.db2.gz HSTUOYSCAOBRNX-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638365239 352176103 /nfs/dbraw/zinc/17/61/03/352176103.db2.gz WJZNSZHSKMQVJL-IJLUTSLNSA-N 1 3 241.379 1.136 20 0 BDADHO C(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[C@H]1CCO1 ZINC000638378473 352189674 /nfs/dbraw/zinc/18/96/74/352189674.db2.gz XEQWBVJKCGJDGG-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[C@H]1CCO1 ZINC000638378473 352189675 /nfs/dbraw/zinc/18/96/75/352189675.db2.gz XEQWBVJKCGJDGG-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[NH2+][C@@H]1CCN2CCC[C@@H]2C1)C[C@H]1CCO1 ZINC000638378473 352189678 /nfs/dbraw/zinc/18/96/78/352189678.db2.gz XEQWBVJKCGJDGG-MCIONIFRSA-N 1 3 238.375 1.772 20 0 BDADHO CN(CC(=O)N(C)CC(C)(C)[NH3+])CC(C)(C)C ZINC000638404232 352208755 /nfs/dbraw/zinc/20/87/55/352208755.db2.gz WOYADRRATJFJGL-UHFFFAOYSA-N 1 3 243.395 1.160 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@H](OC)C2CC2)C1 ZINC000638410249 352217896 /nfs/dbraw/zinc/21/78/96/352217896.db2.gz YIISTLAGQIPXGI-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@H](OC)C2CC2)C1 ZINC000638410249 352217901 /nfs/dbraw/zinc/21/79/01/352217901.db2.gz YIISTLAGQIPXGI-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@H](OC)C2CC2)C1 ZINC000638410249 352217905 /nfs/dbraw/zinc/21/79/05/352217905.db2.gz YIISTLAGQIPXGI-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)COCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261540673 535177236 /nfs/dbraw/zinc/17/72/36/535177236.db2.gz HBYNSQKINFBVAB-IHRRRGAJSA-N 1 3 240.391 1.718 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@@H](C)N1CCCCCC1 ZINC000638516354 352347161 /nfs/dbraw/zinc/34/71/61/352347161.db2.gz AITUOMQCVMAVFJ-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CCC(CC)CNC[C@]1(COC)CCC[NH2+]1 ZINC000414947087 352370838 /nfs/dbraw/zinc/37/08/38/352370838.db2.gz UKZZWRGKGVGHMP-ZDUSSCGKSA-N 1 3 228.380 1.781 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@H]1CCCCO1 ZINC000300367533 352560910 /nfs/dbraw/zinc/56/09/10/352560910.db2.gz LETKIBXSAXCIML-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000343034564 352941575 /nfs/dbraw/zinc/94/15/75/352941575.db2.gz NTKPLJQOETZULN-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO CN1CC=C(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638838321 353023036 /nfs/dbraw/zinc/02/30/36/353023036.db2.gz GCSQXMQQXRNSSI-ZDUSSCGKSA-N 1 3 224.348 1.407 20 0 BDADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)N(C)C ZINC000638816421 352997290 /nfs/dbraw/zinc/99/72/90/352997290.db2.gz SCDVPOSZJHWPEF-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822115 353002710 /nfs/dbraw/zinc/00/27/10/353002710.db2.gz GKUFYPTUCQNOLH-WDEREUQCSA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822114 353002740 /nfs/dbraw/zinc/00/27/40/353002740.db2.gz GKUFYPTUCQNOLH-GHMZBOCLSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@H]1CCCCN1CCNC1=[NH+]CCCN1 ZINC000073840208 353118286 /nfs/dbraw/zinc/11/82/86/353118286.db2.gz DWLMWKJLQRURRI-LBPRGKRZSA-N 1 3 238.379 1.190 20 0 BDADHO CNC(=O)c1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422826423 192481274 /nfs/dbraw/zinc/48/12/74/192481274.db2.gz LKTGAVBAHWUGHI-GHMZBOCLSA-N 1 3 249.358 1.262 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000343273514 353302235 /nfs/dbraw/zinc/30/22/35/353302235.db2.gz YEDFAKQPIGBWDK-BZPMIXESSA-N 1 3 237.391 1.010 20 0 BDADHO C[NH+](C)CCOCCNC/C=C\c1ccccc1 ZINC000310598975 188349194 /nfs/dbraw/zinc/34/91/94/188349194.db2.gz SAGKYUMAMXXJHJ-TWGQIWQCSA-N 1 3 248.370 1.868 20 0 BDADHO Cc1nc(F)ccc1CNCC1=CC[N@H+](C)CC1 ZINC000278771285 188382293 /nfs/dbraw/zinc/38/22/93/188382293.db2.gz OUCVUWJLRVZKPD-UHFFFAOYSA-N 1 3 249.333 1.881 20 0 BDADHO Cc1nc(F)ccc1CNCC1=CC[N@@H+](C)CC1 ZINC000278771285 188382295 /nfs/dbraw/zinc/38/22/95/188382295.db2.gz OUCVUWJLRVZKPD-UHFFFAOYSA-N 1 3 249.333 1.881 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@H]2CN)CCOC1 ZINC000397223508 324113060 /nfs/dbraw/zinc/11/30/60/324113060.db2.gz LUGROXMSQLXNFD-SDDRHHMPSA-N 1 3 212.337 1.130 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000231347155 353595249 /nfs/dbraw/zinc/59/52/49/353595249.db2.gz MNZUIWMKZQMCCZ-HBNTYKKESA-N 1 3 214.378 1.599 20 0 BDADHO COC[C@@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000398069397 324216929 /nfs/dbraw/zinc/21/69/29/324216929.db2.gz YOEUQUAXIUVJBI-VXGBXAGGSA-N 1 3 212.337 1.143 20 0 BDADHO CN(CCC[C@H]1CCO1)CCC[NH+]1CCCC1 ZINC000639133098 353842342 /nfs/dbraw/zinc/84/23/42/353842342.db2.gz YAUAKGJAKPLQQX-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO CN(CCC[C@H]1CCO1)CCC[NH+](C)C ZINC000639168752 354055585 /nfs/dbraw/zinc/05/55/85/354055585.db2.gz XQWXMDOWYRIDOH-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CCCC[N@H+](C)CCCN(C)CCN(C)C ZINC000344036226 354101757 /nfs/dbraw/zinc/10/17/57/354101757.db2.gz FXSLGMJHPORNSL-UHFFFAOYSA-N 1 3 229.412 1.602 20 0 BDADHO CCCC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344036226 354101759 /nfs/dbraw/zinc/10/17/59/354101759.db2.gz FXSLGMJHPORNSL-UHFFFAOYSA-N 1 3 229.412 1.602 20 0 BDADHO CCC[C@@H](C)[N@H+](C)CCCN(C)CCN(C)C ZINC000344098221 354139731 /nfs/dbraw/zinc/13/97/31/354139731.db2.gz YDMMVKNUMWYARW-CQSZACIVSA-N 1 3 243.439 1.990 20 0 BDADHO CCC[C@@H](C)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344098221 354139733 /nfs/dbraw/zinc/13/97/33/354139733.db2.gz YDMMVKNUMWYARW-CQSZACIVSA-N 1 3 243.439 1.990 20 0 BDADHO COCCCC[N@H+](C)[C@H]1CCCNCC1 ZINC000231669469 363347257 /nfs/dbraw/zinc/34/72/57/363347257.db2.gz BAKSBDLHIDEYJD-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO COCCCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000231669469 363347259 /nfs/dbraw/zinc/34/72/59/363347259.db2.gz BAKSBDLHIDEYJD-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000349379091 366183741 /nfs/dbraw/zinc/18/37/41/366183741.db2.gz MVWZRMHOXCJXBK-IYIFEETDSA-N 1 3 238.375 1.530 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000349379091 366183745 /nfs/dbraw/zinc/18/37/45/366183745.db2.gz MVWZRMHOXCJXBK-IYIFEETDSA-N 1 3 238.375 1.530 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000349379092 366184140 /nfs/dbraw/zinc/18/41/40/366184140.db2.gz MVWZRMHOXCJXBK-JRWPOKQRSA-N 1 3 238.375 1.530 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000349379092 366184143 /nfs/dbraw/zinc/18/41/43/366184143.db2.gz MVWZRMHOXCJXBK-JRWPOKQRSA-N 1 3 238.375 1.530 20 0 BDADHO CC[C@H](CO)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000345877752 354794710 /nfs/dbraw/zinc/79/47/10/354794710.db2.gz CLHHKVVWQBJSEA-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](CO)N(C)CC[C@H]1CCC[N@H+]1C ZINC000345877752 354794712 /nfs/dbraw/zinc/79/47/12/354794712.db2.gz CLHHKVVWQBJSEA-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO Cc1c[nH+]ccc1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000335165921 354923384 /nfs/dbraw/zinc/92/33/84/354923384.db2.gz KNPKHUGQMYYIRB-NWDGAFQWSA-N 1 3 231.343 1.849 20 0 BDADHO COc1ccc([C@@H](C)C[N@@H+]2CC[C@H](N)C2)cc1 ZINC000346635356 355014759 /nfs/dbraw/zinc/01/47/59/355014759.db2.gz GOPBAJOIQYDXIF-AAEUAGOBSA-N 1 3 234.343 1.832 20 0 BDADHO COc1ccc([C@@H](C)C[N@H+]2CC[C@H](N)C2)cc1 ZINC000346635356 355014762 /nfs/dbraw/zinc/01/47/62/355014762.db2.gz GOPBAJOIQYDXIF-AAEUAGOBSA-N 1 3 234.343 1.832 20 0 BDADHO C[C@H](CC(N)=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000346751671 355110822 /nfs/dbraw/zinc/11/08/22/355110822.db2.gz DBJYRWHUPMYSPO-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC(N)=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000346751671 355110824 /nfs/dbraw/zinc/11/08/24/355110824.db2.gz DBJYRWHUPMYSPO-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC(N)=O)[NH2+]CCCN1CCCC[C@@H]1C ZINC000346751671 355110825 /nfs/dbraw/zinc/11/08/25/355110825.db2.gz DBJYRWHUPMYSPO-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000335238263 355100090 /nfs/dbraw/zinc/10/00/90/355100090.db2.gz JQUSZOWAIFVYBM-CQSZACIVSA-N 1 3 247.342 1.392 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000346970750 355207571 /nfs/dbraw/zinc/20/75/71/355207571.db2.gz RHADENNGSFZJNY-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000346970750 355207573 /nfs/dbraw/zinc/20/75/73/355207573.db2.gz RHADENNGSFZJNY-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@]1(N)CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000405792183 355296516 /nfs/dbraw/zinc/29/65/16/355296516.db2.gz LKOVFRJFBXNTOY-VHSXEESVSA-N 1 3 200.351 1.305 20 0 BDADHO C[C@@]1(N)CC[N@H+]([C@H]2CCCSC2)C1 ZINC000405792183 355296519 /nfs/dbraw/zinc/29/65/19/355296519.db2.gz LKOVFRJFBXNTOY-VHSXEESVSA-N 1 3 200.351 1.305 20 0 BDADHO Fc1cncc(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414841417 191597311 /nfs/dbraw/zinc/59/73/11/191597311.db2.gz OANGHTKUAPCQIU-NSHDSACASA-N 1 3 237.322 1.700 20 0 BDADHO C[C@H](CCCCO)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000398646560 355547580 /nfs/dbraw/zinc/54/75/80/355547580.db2.gz AENNAGVZJURPFX-FRRDWIJNSA-N 1 3 228.380 1.658 20 0 BDADHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000582175470 355577565 /nfs/dbraw/zinc/57/75/65/355577565.db2.gz QYIMYGCQNKDNBQ-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H](NCCC[N@H+](C)C(C)C)C1CC1 ZINC000166570174 355694480 /nfs/dbraw/zinc/69/44/80/355694480.db2.gz FPNVRWXROHUTAE-ZDUSSCGKSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](NCCC[N@@H+](C)C(C)C)C1CC1 ZINC000166570174 355694481 /nfs/dbraw/zinc/69/44/81/355694481.db2.gz FPNVRWXROHUTAE-ZDUSSCGKSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H]([NH2+]CCCN(C)C(C)C)C1CC1 ZINC000166570174 355694483 /nfs/dbraw/zinc/69/44/83/355694483.db2.gz FPNVRWXROHUTAE-ZDUSSCGKSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)(O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261538816 535293228 /nfs/dbraw/zinc/29/32/28/535293228.db2.gz ZKRPKVJKXJTCPT-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCOCC1 ZINC000261545620 535297073 /nfs/dbraw/zinc/29/70/73/535297073.db2.gz GDIUMEGEIMVSEA-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO CN(CCCc1ccncc1)C1CC[NH2+]CC1 ZINC000420272029 192197746 /nfs/dbraw/zinc/19/77/46/192197746.db2.gz LNJGKLONTUOKID-UHFFFAOYSA-N 1 3 233.359 1.698 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639510518 356343456 /nfs/dbraw/zinc/34/34/56/356343456.db2.gz BBRGJSVHTBKSRB-IHRRRGAJSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639510518 356343460 /nfs/dbraw/zinc/34/34/60/356343460.db2.gz BBRGJSVHTBKSRB-IHRRRGAJSA-N 1 3 240.391 1.685 20 0 BDADHO CCOC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420309424 192210454 /nfs/dbraw/zinc/21/04/54/192210454.db2.gz LKJXFYDFEIJAPC-LLVKDONJSA-N 1 3 228.336 1.014 20 0 BDADHO C(CN1CCOC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000420368359 192225767 /nfs/dbraw/zinc/22/57/67/192225767.db2.gz WQNQGCFSEBCILI-GXTWGEPZSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@]1(C[NH3+])CCN(CCCc2ccncc2)C1 ZINC000420321443 192227646 /nfs/dbraw/zinc/22/76/46/192227646.db2.gz VEBUIDVIILBPFB-AWEZNQCLSA-N 1 3 233.359 1.685 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CCCc2ccncc2)C1 ZINC000420321443 192227648 /nfs/dbraw/zinc/22/76/48/192227648.db2.gz VEBUIDVIILBPFB-AWEZNQCLSA-N 1 3 233.359 1.685 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CCCc2ccncc2)C1 ZINC000420321443 192227651 /nfs/dbraw/zinc/22/76/51/192227651.db2.gz VEBUIDVIILBPFB-AWEZNQCLSA-N 1 3 233.359 1.685 20 0 BDADHO C(CN1CCOC[C@@H]1C1CC1)C1CC[NH2+]CC1 ZINC000420358892 192220667 /nfs/dbraw/zinc/22/06/67/192220667.db2.gz JTDRMCCHORUCKM-CQSZACIVSA-N 1 3 238.375 1.487 20 0 BDADHO CC(C)OC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420360316 192222291 /nfs/dbraw/zinc/22/22/91/192222291.db2.gz LBBCJEUPSMFCRM-LLVKDONJSA-N 1 3 242.363 1.306 20 0 BDADHO CC(C)OC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420360316 192222294 /nfs/dbraw/zinc/22/22/94/192222294.db2.gz LBBCJEUPSMFCRM-LLVKDONJSA-N 1 3 242.363 1.306 20 0 BDADHO CCC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420361620 192222334 /nfs/dbraw/zinc/22/23/34/192222334.db2.gz NIRMYEGPWGZLFX-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NCCc1cccnc1 ZINC000420362993 192223525 /nfs/dbraw/zinc/22/35/25/192223525.db2.gz NOWUBWNDOMNETM-LBPRGKRZSA-N 1 3 221.348 1.587 20 0 BDADHO C[NH2+]CCCN1CC[C@H](C2CCOCC2)C1 ZINC000420367422 192225558 /nfs/dbraw/zinc/22/55/58/192225558.db2.gz VUUTXDZOKNLSIP-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO CNCCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000420367422 192225560 /nfs/dbraw/zinc/22/55/60/192225560.db2.gz VUUTXDZOKNLSIP-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO CNCCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000420367422 192225561 /nfs/dbraw/zinc/22/55/61/192225561.db2.gz VUUTXDZOKNLSIP-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO COCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420383699 192235694 /nfs/dbraw/zinc/23/56/94/192235694.db2.gz DNRSSHIOGOYZMU-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CCN(CC[C@H]1CCC[N@@H+]1C)C[C@H](C)O ZINC000352203205 134102782 /nfs/dbraw/zinc/10/27/82/134102782.db2.gz PYECPSNHHZGBTR-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(CC[C@H]1CCC[N@H+]1C)C[C@H](C)O ZINC000352203205 134102783 /nfs/dbraw/zinc/10/27/83/134102783.db2.gz PYECPSNHHZGBTR-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO COCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374354 192231324 /nfs/dbraw/zinc/23/13/24/192231324.db2.gz NPVKMLVJOZFBRW-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO c1c[nH]c([C@H]2CCCN2CCC2CC[NH2+]CC2)n1 ZINC000420376613 192232170 /nfs/dbraw/zinc/23/21/70/192232170.db2.gz QVBOSSFXYARSDZ-CYBMUJFWSA-N 1 3 248.374 1.936 20 0 BDADHO CC[C@@H]1CCCC[N@@H+]1CCN1CCNCC1 ZINC000020179816 356487009 /nfs/dbraw/zinc/48/70/09/356487009.db2.gz WOJXDOBOFKFIIC-CYBMUJFWSA-N 1 3 225.380 1.156 20 0 BDADHO CC[C@@H]1CCCC[N@H+]1CCN1CCNCC1 ZINC000020179816 356487011 /nfs/dbraw/zinc/48/70/11/356487011.db2.gz WOJXDOBOFKFIIC-CYBMUJFWSA-N 1 3 225.380 1.156 20 0 BDADHO CN(CCN1CCCCC1)C[C@@H]1CCC[N@@H+]1C ZINC000420995707 192295057 /nfs/dbraw/zinc/29/50/57/192295057.db2.gz DWUJIIIQMQCYJZ-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CN(CCN1CCCCC1)C[C@@H]1CCC[N@H+]1C ZINC000420995707 192295059 /nfs/dbraw/zinc/29/50/59/192295059.db2.gz DWUJIIIQMQCYJZ-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCc1nc(CCN[C@H](C)C[C@H](C)[NH3+])cs1 ZINC000422901180 192513137 /nfs/dbraw/zinc/51/31/37/192513137.db2.gz KNULCRXEBGQPEF-VHSXEESVSA-N 1 3 241.404 1.963 20 0 BDADHO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422900940 192513316 /nfs/dbraw/zinc/51/33/16/192513316.db2.gz KJUYHTWXNQQSSY-NNYUYHANSA-N 1 3 214.353 1.659 20 0 BDADHO C[C@H](O)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684525 356600955 /nfs/dbraw/zinc/60/09/55/356600955.db2.gz WBAQNPIQAQHHJE-ZDUSSCGKSA-N 1 3 249.358 1.365 20 0 BDADHO C[C@H](O)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684525 356600959 /nfs/dbraw/zinc/60/09/59/356600959.db2.gz WBAQNPIQAQHHJE-ZDUSSCGKSA-N 1 3 249.358 1.365 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC1(N(C)C)CCC1 ZINC000423063197 192556696 /nfs/dbraw/zinc/55/66/96/192556696.db2.gz VXVFOPFWRJGLMK-VXGBXAGGSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000423127301 192577924 /nfs/dbraw/zinc/57/79/24/192577924.db2.gz PFPGKQRXDLECKQ-UWVGGRQHSA-N 1 3 202.317 1.984 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCC1(F)CCC1 ZINC000423127301 192577927 /nfs/dbraw/zinc/57/79/27/192577927.db2.gz PFPGKQRXDLECKQ-UWVGGRQHSA-N 1 3 202.317 1.984 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335387 356717203 /nfs/dbraw/zinc/71/72/03/356717203.db2.gz KXDIYPHACVHTLS-WDEREUQCSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335387 356717205 /nfs/dbraw/zinc/71/72/05/356717205.db2.gz KXDIYPHACVHTLS-WDEREUQCSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cncn1C ZINC000353568426 538748639 /nfs/dbraw/zinc/74/86/39/538748639.db2.gz JACIKUCDJGBYSH-WZRBSPASSA-N 1 3 236.363 1.238 20 0 BDADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCCC[NH3+] ZINC000389783437 357031345 /nfs/dbraw/zinc/03/13/45/357031345.db2.gz JSTMEGMHFJWMSC-HIFRSBDPSA-N 1 3 247.386 1.445 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389788443 357032389 /nfs/dbraw/zinc/03/23/89/357032389.db2.gz NSMTXEWTVCRCMK-GUTXKFCHSA-N 1 3 247.386 1.444 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCCC[C@@H]2O)C1 ZINC000393337402 357281942 /nfs/dbraw/zinc/28/19/42/357281942.db2.gz UIRILFSMGCTAND-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO CN1CCCC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000628425601 357252329 /nfs/dbraw/zinc/25/23/29/357252329.db2.gz PWYMOGDTZQRBQG-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H]1CCC[NH2+]CC1 ZINC000230469254 357525988 /nfs/dbraw/zinc/52/59/88/357525988.db2.gz ISVKQXOOKVTEDQ-CHWSQXEVSA-N 1 3 228.380 1.515 20 0 BDADHO COC1CC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000230675926 357549274 /nfs/dbraw/zinc/54/92/74/357549274.db2.gz ALDXNUPTUNRCHO-GMKTYKIGSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000230675926 357549280 /nfs/dbraw/zinc/54/92/80/357549280.db2.gz ALDXNUPTUNRCHO-GMKTYKIGSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000230675921 357549507 /nfs/dbraw/zinc/54/95/07/357549507.db2.gz ALDXNUPTUNRCHO-CQLXCSJHSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000230675921 357549509 /nfs/dbraw/zinc/54/95/09/357549509.db2.gz ALDXNUPTUNRCHO-CQLXCSJHSA-N 1 3 224.348 1.380 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000361152633 538867938 /nfs/dbraw/zinc/86/79/38/538867938.db2.gz JZFIPTHVXPAWAR-IHRRRGAJSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@H]1C[C@@H](NCCc2cscn2)CC[N@@H+]1C ZINC000158882524 538869826 /nfs/dbraw/zinc/86/98/26/538869826.db2.gz CUMQIWGKGCUHRH-QWRGUYRKSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H]1C[C@@H](NCCc2cscn2)CC[N@H+]1C ZINC000158882524 538869827 /nfs/dbraw/zinc/86/98/27/538869827.db2.gz CUMQIWGKGCUHRH-QWRGUYRKSA-N 1 3 239.388 1.758 20 0 BDADHO CC(C)(C)[C@@H](CCO)[NH2+][C@@H]1CCCNCC1 ZINC000231073459 357597530 /nfs/dbraw/zinc/59/75/30/357597530.db2.gz BYXLUQJZZAWCBR-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233745864 357742461 /nfs/dbraw/zinc/74/24/61/357742461.db2.gz MIILQXHYHDTKML-IJLUTSLNSA-N 1 3 228.380 1.763 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1cscc1C ZINC000234796880 357828599 /nfs/dbraw/zinc/82/85/99/357828599.db2.gz WPXRSKOTMVNROL-LBPRGKRZSA-N 1 3 242.388 1.900 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416040 357828779 /nfs/dbraw/zinc/82/87/79/357828779.db2.gz GTKLDSLCUREWKI-RYUDHWBXSA-N 1 3 228.380 1.610 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416040 357828782 /nfs/dbraw/zinc/82/87/82/357828782.db2.gz GTKLDSLCUREWKI-RYUDHWBXSA-N 1 3 228.380 1.610 20 0 BDADHO CC(C)C[NH+](CCN(C)C)CCN(C)C ZINC000583839553 357969331 /nfs/dbraw/zinc/96/93/31/357969331.db2.gz NJXROYJCXUIGNX-UHFFFAOYSA-N 1 3 215.385 1.068 20 0 BDADHO Cc1nn(C)cc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000168681429 134241812 /nfs/dbraw/zinc/24/18/12/134241812.db2.gz YFFBARRGKHVFLG-WCQYABFASA-N 1 3 236.363 1.336 20 0 BDADHO FC(F)(F)COCCN[C@@H]1CCC[NH2+]CC1 ZINC000168753444 134247551 /nfs/dbraw/zinc/24/75/51/134247551.db2.gz QVPHPESALSLVSJ-SECBINFHSA-N 1 3 240.269 1.297 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000168705051 134246425 /nfs/dbraw/zinc/24/64/25/134246425.db2.gz POGIJXCSSGIMQV-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO CS[C@@H](C)CN[C@@H]1CCC[NH2+]CC1 ZINC000169087085 134249188 /nfs/dbraw/zinc/24/91/88/134249188.db2.gz IGANERBFIMBAMH-VHSXEESVSA-N 1 3 202.367 1.470 20 0 BDADHO CS[C@@H](C)C[NH2+][C@@H]1CCCNCC1 ZINC000169087085 134249189 /nfs/dbraw/zinc/24/91/89/134249189.db2.gz IGANERBFIMBAMH-VHSXEESVSA-N 1 3 202.367 1.470 20 0 BDADHO CCC[C@]1(C)CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000584725752 358166379 /nfs/dbraw/zinc/16/63/79/358166379.db2.gz SOZYCDMHGBRFSA-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@]1(C)CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000584725752 358166384 /nfs/dbraw/zinc/16/63/84/358166384.db2.gz SOZYCDMHGBRFSA-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@]1(C)CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000584725752 358166389 /nfs/dbraw/zinc/16/63/89/358166389.db2.gz SOZYCDMHGBRFSA-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H]1CCOC1 ZINC000222813372 358213446 /nfs/dbraw/zinc/21/34/46/358213446.db2.gz VEAWRATWVCGNFD-IRCOFANPSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](CO)Cc2ccccc2)C1 ZINC000223009706 358214003 /nfs/dbraw/zinc/21/40/03/358214003.db2.gz FSDRREZNGRPVKW-QLFBSQMISA-N 1 3 248.370 1.450 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000040622692 358244515 /nfs/dbraw/zinc/24/45/15/358244515.db2.gz GNJURWCLBHNZLO-LBPRGKRZSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040802599 358246935 /nfs/dbraw/zinc/24/69/35/358246935.db2.gz IIOAJCGKAXNRHC-OLZOCXBDSA-N 1 3 249.358 1.143 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H](C)CO ZINC000450736817 202250450 /nfs/dbraw/zinc/25/04/50/202250450.db2.gz GXEIUIAWIHMJPE-RYUDHWBXSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)[C@@H](C)CO ZINC000450736817 202250453 /nfs/dbraw/zinc/25/04/53/202250453.db2.gz GXEIUIAWIHMJPE-RYUDHWBXSA-N 1 3 216.369 1.325 20 0 BDADHO CC(C)(CCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000227905692 358365991 /nfs/dbraw/zinc/36/59/91/358365991.db2.gz KUBVSPNWFAVNAL-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000228898514 358387224 /nfs/dbraw/zinc/38/72/24/358387224.db2.gz KJTKHHLAGNVZHT-OPRDCNLKSA-N 1 3 202.367 1.597 20 0 BDADHO CS[C@H](C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228898514 358387225 /nfs/dbraw/zinc/38/72/25/358387225.db2.gz KJTKHHLAGNVZHT-OPRDCNLKSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]1CCN(CC[NH2+]C2CCN(C)CC2)C1 ZINC000309423210 358544277 /nfs/dbraw/zinc/54/42/77/358544277.db2.gz KASBFSVLDIUYQN-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO CCC[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219321797 134281387 /nfs/dbraw/zinc/28/13/87/134281387.db2.gz NYZMAAPAWDSTJV-LLVKDONJSA-N 1 3 202.342 1.343 20 0 BDADHO [NH3+]C[C@H]1CCN(CCCOCC(F)(F)F)C1 ZINC000050249416 358722234 /nfs/dbraw/zinc/72/22/34/358722234.db2.gz OFEYTMNGBFSPDY-SECBINFHSA-N 1 3 240.269 1.236 20 0 BDADHO NC[C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000050249416 358722238 /nfs/dbraw/zinc/72/22/38/358722238.db2.gz OFEYTMNGBFSPDY-SECBINFHSA-N 1 3 240.269 1.236 20 0 BDADHO NC[C@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000050249416 358722241 /nfs/dbraw/zinc/72/22/41/358722241.db2.gz OFEYTMNGBFSPDY-SECBINFHSA-N 1 3 240.269 1.236 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000086404550 358968240 /nfs/dbraw/zinc/96/82/40/358968240.db2.gz DHBJHRDCXHSDCT-WUHRBBMRSA-N 1 3 226.364 1.397 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCCOC2)CC1 ZINC000071011016 359069959 /nfs/dbraw/zinc/06/99/59/359069959.db2.gz XBBIQDNBHIVISU-CYBMUJFWSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@H](NCC1CC[NH+](C)CC1)c1cnccn1 ZINC000070479536 359057385 /nfs/dbraw/zinc/05/73/85/359057385.db2.gz VPGYIVFJRYIWBN-NSHDSACASA-N 1 3 234.347 1.469 20 0 BDADHO COCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247932252 359250339 /nfs/dbraw/zinc/25/03/39/359250339.db2.gz CDLYIXOXIZCYQS-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO COCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000247932252 359250341 /nfs/dbraw/zinc/25/03/41/359250341.db2.gz CDLYIXOXIZCYQS-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)CC(C)(C)C[NH2+]CC1(F)CC1 ZINC000379599604 359568020 /nfs/dbraw/zinc/56/80/20/359568020.db2.gz JVMGQJXVLNTQCR-UHFFFAOYSA-N 1 3 202.317 1.666 20 0 BDADHO CCC[C@H](O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000450861100 202291958 /nfs/dbraw/zinc/29/19/58/202291958.db2.gz XVEWITVWLAMLRA-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000450861100 202291960 /nfs/dbraw/zinc/29/19/60/202291960.db2.gz XVEWITVWLAMLRA-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000450861100 202291962 /nfs/dbraw/zinc/29/19/62/202291962.db2.gz XVEWITVWLAMLRA-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CC(C)N(C)Cc1ccccc1CNC(N)=[NH2+] ZINC000057888016 359788963 /nfs/dbraw/zinc/78/89/63/359788963.db2.gz GDCVVFVGVHZXGV-UHFFFAOYSA-N 1 3 234.347 1.510 20 0 BDADHO c1[nH]nc2c1cccc2CNCCC[NH+]1CCC1 ZINC000578549266 366597060 /nfs/dbraw/zinc/59/70/60/366597060.db2.gz GKZMOIBQZLYYBN-UHFFFAOYSA-N 1 3 244.342 1.748 20 0 BDADHO CC[C@H]1[C@H](CO)CC[N@@H+]1CCCN(CC)CC ZINC000451260884 202390467 /nfs/dbraw/zinc/39/04/67/202390467.db2.gz VDMSMDZFOJZUIJ-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H]1[C@H](CO)CC[N@H+]1CCCN(CC)CC ZINC000451260884 202390471 /nfs/dbraw/zinc/39/04/71/202390471.db2.gz VDMSMDZFOJZUIJ-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H]1[C@H](CO)CCN1CCC[NH+](CC)CC ZINC000451260884 202390474 /nfs/dbraw/zinc/39/04/74/202390474.db2.gz VDMSMDZFOJZUIJ-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000089147309 359993153 /nfs/dbraw/zinc/99/31/53/359993153.db2.gz DWTKUMFZKIOOQC-DZGCQCFKSA-N 1 3 248.370 1.955 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000089140804 359993190 /nfs/dbraw/zinc/99/31/90/359993190.db2.gz UFVNGOHDBHLISQ-STQMWFEESA-N 1 3 236.363 1.380 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@H]2C1)C1CCOCC1 ZINC000094722681 360315857 /nfs/dbraw/zinc/31/58/57/360315857.db2.gz XTEDWMXYUTYEFX-KBPBESRZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000629388726 361035478 /nfs/dbraw/zinc/03/54/78/361035478.db2.gz PFRRPFYLMRLMFJ-DEQVHRJGSA-N 1 3 237.391 1.199 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CC1CCOCC1 ZINC000629390616 361044620 /nfs/dbraw/zinc/04/46/20/361044620.db2.gz VAPOENUXYIOUAR-KWCYVHTRSA-N 1 3 240.391 1.922 20 0 BDADHO COC1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629397371 361046610 /nfs/dbraw/zinc/04/66/10/361046610.db2.gz UGHBXGAERSXSMP-GMKTYKIGSA-N 1 3 226.364 1.674 20 0 BDADHO C1CC1[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000629409303 361057975 /nfs/dbraw/zinc/05/79/75/361057975.db2.gz GWADUQOHISSVEP-FRRDWIJNSA-N 1 3 208.349 1.907 20 0 BDADHO CCO[C@@H](CN1CCC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629507241 361105871 /nfs/dbraw/zinc/10/58/71/361105871.db2.gz AVAOPDNTQNQSGO-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2cccnc2N)CC1 ZINC000629510210 361106954 /nfs/dbraw/zinc/10/69/54/361106954.db2.gz AXSRWRXDCYOVJY-SNVBAGLBSA-N 1 3 234.347 1.223 20 0 BDADHO CCC[C@H](CN[C@@H](C)C1C[NH2+]C1)OCC ZINC000629515371 361113201 /nfs/dbraw/zinc/11/32/01/361113201.db2.gz QMQARVYDDHMVED-CMPLNLGQSA-N 1 3 214.353 1.389 20 0 BDADHO CCC[C@H](C[NH2+][C@@H](C)C1CNC1)OCC ZINC000629515371 361113205 /nfs/dbraw/zinc/11/32/05/361113205.db2.gz QMQARVYDDHMVED-CMPLNLGQSA-N 1 3 214.353 1.389 20 0 BDADHO COCCC[C@@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000629516610 361115200 /nfs/dbraw/zinc/11/52/00/361115200.db2.gz LRKYDICIHOZKIR-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO C[NH2+]CCOCCN[C@H]1CCc2ccc(C)cc21 ZINC000629528890 361138215 /nfs/dbraw/zinc/13/82/15/361138215.db2.gz MLBJTYLRZGPXCI-HNNXBMFYSA-N 1 3 248.370 1.808 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)CCCOC ZINC000629525817 361126547 /nfs/dbraw/zinc/12/65/47/361126547.db2.gz CPUUQZCQDGBPOE-GRYCIOLGSA-N 1 3 214.353 1.532 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CCCCOC)C1 ZINC000158503567 361200497 /nfs/dbraw/zinc/20/04/97/361200497.db2.gz JXUMOQFWXQUDGE-LBPRGKRZSA-N 1 3 214.353 1.344 20 0 BDADHO CCC[C@@](C)(N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000428307179 201007307 /nfs/dbraw/zinc/00/73/07/201007307.db2.gz SFWAGJYMWZZQQT-CQSZACIVSA-N 1 3 249.358 1.862 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)NCC[C@H](C)[NH3+] ZINC000622044989 370678113 /nfs/dbraw/zinc/67/81/13/370678113.db2.gz ZLVCZAUAKRZKFB-UWVGGRQHSA-N 1 3 236.363 1.237 20 0 BDADHO CC(C)n1ccc(C[C@H](C)NCC[C@H](C)[NH3+])n1 ZINC000622045298 370679928 /nfs/dbraw/zinc/67/99/28/370679928.db2.gz LMKXQVNMMHKPLW-RYUDHWBXSA-N 1 3 238.379 1.722 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428939605 201049346 /nfs/dbraw/zinc/04/93/46/201049346.db2.gz ATSIQQASPNAMQM-MDZLAQPJSA-N 1 3 241.379 1.008 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@@H](C)C(=O)NC ZINC000191803919 361365935 /nfs/dbraw/zinc/36/59/35/361365935.db2.gz VXRTUGHRCZSSGY-GFCCVEGCSA-N 1 3 243.395 1.032 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000191803919 361365940 /nfs/dbraw/zinc/36/59/40/361365940.db2.gz VXRTUGHRCZSSGY-GFCCVEGCSA-N 1 3 243.395 1.032 20 0 BDADHO NC1(C[NH2+]CCOc2ccccc2F)CCC1 ZINC000342123688 181331922 /nfs/dbraw/zinc/33/19/22/181331922.db2.gz HYDUWIOZIDUCNC-UHFFFAOYSA-N 1 3 238.306 1.676 20 0 BDADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]C)N(CC)CC ZINC000429220708 201081853 /nfs/dbraw/zinc/08/18/53/201081853.db2.gz HLMXVKYWFXYIDV-NEPJUHHUSA-N 1 3 243.395 1.079 20 0 BDADHO [NH3+]CCCOCCN[C@@H]1CCc2ccccc21 ZINC000629536500 361398916 /nfs/dbraw/zinc/39/89/16/361398916.db2.gz FLKQTSBCGLQMEI-CQSZACIVSA-N 1 3 234.343 1.629 20 0 BDADHO COCC1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629535625 361410474 /nfs/dbraw/zinc/41/04/74/361410474.db2.gz CPZPNEXHMWENMU-GFJIZPEISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629545043 361425015 /nfs/dbraw/zinc/42/50/15/361425015.db2.gz AMENRGXJWPAFKD-SAXRGWBVSA-N 1 3 238.375 1.532 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629546751 361429367 /nfs/dbraw/zinc/42/93/67/361429367.db2.gz HHIPOHBAVPYTQE-CYDGBPFRSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000629546751 361429371 /nfs/dbraw/zinc/42/93/71/361429371.db2.gz HHIPOHBAVPYTQE-CYDGBPFRSA-N 1 3 224.348 1.271 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000629553628 361438759 /nfs/dbraw/zinc/43/87/59/361438759.db2.gz BULVSWBRPDLIMS-WYUUTHIRSA-N 1 3 212.337 1.128 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)C1CNC1 ZINC000629554413 361440368 /nfs/dbraw/zinc/44/03/68/361440368.db2.gz IENGDTLYYZPPGT-JQWIXIFHSA-N 1 3 208.349 1.764 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000629554344 361441576 /nfs/dbraw/zinc/44/15/76/361441576.db2.gz HVPVZQYEZCNOAX-RVMXOQNASA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000629554500 361442340 /nfs/dbraw/zinc/44/23/40/361442340.db2.gz JXSXJRJQXVERBR-FIQHERPVSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H]1C[C@@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593214 361484578 /nfs/dbraw/zinc/48/45/78/361484578.db2.gz ITGCTSFYSLNRGJ-QNWHQSFQSA-N 1 3 208.349 1.574 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1cccc(C)c1 ZINC000629566245 361457458 /nfs/dbraw/zinc/45/74/58/361457458.db2.gz IRPXLOIUJQALDO-UHFFFAOYSA-N 1 3 236.359 1.663 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccn(C)c1 ZINC000629646813 361535209 /nfs/dbraw/zinc/53/52/09/361535209.db2.gz FKIVJTRKMXXCJF-JQWIXIFHSA-N 1 3 207.321 1.194 20 0 BDADHO CC[C@H]1CN(CC2=CCCOC2)CC[C@H]1[NH3+] ZINC000629651959 361558966 /nfs/dbraw/zinc/55/89/66/361558966.db2.gz QREZDUXQSGYBRE-QWHCGFSZSA-N 1 3 224.348 1.392 20 0 BDADHO C[C@@H]1CCN(CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648570 361540508 /nfs/dbraw/zinc/54/05/08/361540508.db2.gz RBHWPXBGKKKSGC-YPMHNXCESA-N 1 3 224.348 1.250 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000629648518 361540606 /nfs/dbraw/zinc/54/06/06/361540606.db2.gz QAGRBFPZLNJKRV-YRGRVCCFSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CC2=CCCOC2)C[C@H]1CN ZINC000629648518 361540608 /nfs/dbraw/zinc/54/06/08/361540608.db2.gz QAGRBFPZLNJKRV-YRGRVCCFSA-N 1 3 238.375 1.638 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CC2=CCCOC2)C[C@H]1CN ZINC000629648518 361540611 /nfs/dbraw/zinc/54/06/11/361540611.db2.gz QAGRBFPZLNJKRV-YRGRVCCFSA-N 1 3 238.375 1.638 20 0 BDADHO [NH3+]CCCOCCNCc1cccc2c1NCC2 ZINC000629659556 361563420 /nfs/dbraw/zinc/56/34/20/361563420.db2.gz BWKJQQGRKPLOJO-UHFFFAOYSA-N 1 3 249.358 1.110 20 0 BDADHO C[C@@H]1CCNC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649520 361545156 /nfs/dbraw/zinc/54/51/56/361545156.db2.gz UOFFSQTVQUCCJJ-PWSUYJOCSA-N 1 3 207.321 1.113 20 0 BDADHO COC1(CN2C[C@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000629650015 361546667 /nfs/dbraw/zinc/54/66/67/361546667.db2.gz OHNRRSRVBHESTQ-OCCSQVGLSA-N 1 3 238.375 1.759 20 0 BDADHO COC[C@H](C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629661476 361594301 /nfs/dbraw/zinc/59/43/01/361594301.db2.gz BEOQXQCUDNLUEE-UPJWGTAASA-N 1 3 226.364 1.200 20 0 BDADHO CCN(CCOCC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627463 201279021 /nfs/dbraw/zinc/27/90/21/201279021.db2.gz NOCXXTQTJYQDBR-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000154566390 201284760 /nfs/dbraw/zinc/28/47/60/201284760.db2.gz DSRUCNLBJNKYHG-MQYQWHSLSA-N 1 3 239.407 1.399 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000438090051 201386886 /nfs/dbraw/zinc/38/68/86/201386886.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000438090051 201386890 /nfs/dbraw/zinc/38/68/90/201386890.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCOC2)C1 ZINC000438090051 201386893 /nfs/dbraw/zinc/38/68/93/201386893.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCOC2)C1 ZINC000438090051 201386896 /nfs/dbraw/zinc/38/68/96/201386896.db2.gz ACUGZUOHKYGAMX-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000438207652 201398846 /nfs/dbraw/zinc/39/88/46/201398846.db2.gz AEBULTOZUMXLBR-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740578 541306591 /nfs/dbraw/zinc/30/65/91/541306591.db2.gz CAWDIWCTQFFDTI-MLGHIDQZSA-N 1 3 224.348 1.556 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422740580 541306999 /nfs/dbraw/zinc/30/69/99/541306999.db2.gz CAWDIWCTQFFDTI-VEGXAWMVSA-N 1 3 224.348 1.556 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741419 541307122 /nfs/dbraw/zinc/30/71/22/541307122.db2.gz DMDNMNNICLFFJB-LBELIVKGSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422741419 541307125 /nfs/dbraw/zinc/30/71/25/541307125.db2.gz DMDNMNNICLFFJB-LBELIVKGSA-N 1 3 224.348 1.284 20 0 BDADHO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CCCOC1 ZINC000398976431 364401312 /nfs/dbraw/zinc/40/13/12/364401312.db2.gz CYZPNRXIIJAHMT-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](CCCCO)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996353 364667269 /nfs/dbraw/zinc/66/72/69/364667269.db2.gz ABZANKVCYRDBBM-IJLUTSLNSA-N 1 3 214.353 1.268 20 0 BDADHO C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CCCO1 ZINC000335011690 541419251 /nfs/dbraw/zinc/41/92/51/541419251.db2.gz XDYGYCZRKIBIQC-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@@H]1CCCO1 ZINC000335011690 541419255 /nfs/dbraw/zinc/41/92/55/541419255.db2.gz XDYGYCZRKIBIQC-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO C(CN1CC[C@]2(C1)CCC[NH2+]C2)[C@@H]1CCCO1 ZINC000335011690 541419259 /nfs/dbraw/zinc/41/92/59/541419259.db2.gz XDYGYCZRKIBIQC-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@H]1C[C@H]1C[N@H+](C)CCCN(C)CCN(C)C ZINC000574845641 365158098 /nfs/dbraw/zinc/15/80/98/365158098.db2.gz HXXFXQRORCVPFG-KBPBESRZSA-N 1 3 241.423 1.458 20 0 BDADHO C[C@H]1C[C@H]1C[N@@H+](C)CCCN(C)CCN(C)C ZINC000574845641 365158106 /nfs/dbraw/zinc/15/81/06/365158106.db2.gz HXXFXQRORCVPFG-KBPBESRZSA-N 1 3 241.423 1.458 20 0 BDADHO CCC[C@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000574881709 365167814 /nfs/dbraw/zinc/16/78/14/365167814.db2.gz HJDYPOZPRGSLLI-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000574881709 365167816 /nfs/dbraw/zinc/16/78/16/365167816.db2.gz HJDYPOZPRGSLLI-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000574881709 365167822 /nfs/dbraw/zinc/16/78/22/365167822.db2.gz HJDYPOZPRGSLLI-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOC[C@@H]1CCCO1 ZINC000575060266 365182556 /nfs/dbraw/zinc/18/25/56/365182556.db2.gz ARJWHJYZKZGABV-STQMWFEESA-N 1 3 244.379 1.145 20 0 BDADHO C[C@H]1C[C@H]1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000443066968 193012090 /nfs/dbraw/zinc/01/20/90/193012090.db2.gz KMEAYPIKFMLVJT-STQMWFEESA-N 1 3 239.407 1.258 20 0 BDADHO C[C@H]1C[C@@H]1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000443066966 193012178 /nfs/dbraw/zinc/01/21/78/193012178.db2.gz KMEAYPIKFMLVJT-QWHCGFSZSA-N 1 3 239.407 1.258 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC(C)CC1 ZINC000171648607 365223871 /nfs/dbraw/zinc/22/38/71/365223871.db2.gz LHMHWZRTWXPXLA-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(C)CC1 ZINC000171648607 365223878 /nfs/dbraw/zinc/22/38/78/365223878.db2.gz LHMHWZRTWXPXLA-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO COC[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000444589214 193051819 /nfs/dbraw/zinc/05/18/19/193051819.db2.gz AOZJLQLVALZDNP-CQSZACIVSA-N 1 3 240.391 1.831 20 0 BDADHO FCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000379810897 365277996 /nfs/dbraw/zinc/27/79/96/365277996.db2.gz AEXNQBKGJOZKJT-TUAOUCFPSA-N 1 3 214.328 1.856 20 0 BDADHO C[NH+](C)C[C@H]1CCN([C@H]2C=CCCC2)C1 ZINC000172198234 365300678 /nfs/dbraw/zinc/30/06/78/365300678.db2.gz MAVGQAZEPRSWMW-OLZOCXBDSA-N 1 3 208.349 1.979 20 0 BDADHO C[C@H](NCCc1ccc2c(c1)OCO2)C1C[NH2+]C1 ZINC000575373025 365303440 /nfs/dbraw/zinc/30/34/40/365303440.db2.gz XIMIKJTWDLLERO-JTQLQIEISA-N 1 3 248.326 1.155 20 0 BDADHO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CNC1 ZINC000575373025 365303448 /nfs/dbraw/zinc/30/34/48/365303448.db2.gz XIMIKJTWDLLERO-JTQLQIEISA-N 1 3 248.326 1.155 20 0 BDADHO CCCCN(CCCO)CC[C@H]1CCC[N@@H+]1C ZINC000182165357 366871415 /nfs/dbraw/zinc/87/14/15/366871415.db2.gz RTFMKTIPWJRMFB-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCCCN(CCCO)CC[C@H]1CCC[N@H+]1C ZINC000182165357 366871417 /nfs/dbraw/zinc/87/14/17/366871417.db2.gz RTFMKTIPWJRMFB-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000575980127 365432434 /nfs/dbraw/zinc/43/24/34/365432434.db2.gz UTHDCHIRKXVEBU-JSGCOSHPSA-N 1 3 239.407 1.447 20 0 BDADHO COC(=O)C(C)(C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000579712055 366988197 /nfs/dbraw/zinc/98/81/97/366988197.db2.gz KIYHEJVNJRMTNN-ZJUUUORDSA-N 1 3 230.352 1.291 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000579712055 366988199 /nfs/dbraw/zinc/98/81/99/366988199.db2.gz KIYHEJVNJRMTNN-ZJUUUORDSA-N 1 3 230.352 1.291 20 0 BDADHO C[C@@H]([NH2+]CCCO)[C@H]1CCCN(C2CCC2)C1 ZINC000185709797 367140285 /nfs/dbraw/zinc/14/02/85/367140285.db2.gz BEJYEARRYAQAPZ-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000580963636 367220836 /nfs/dbraw/zinc/22/08/36/367220836.db2.gz VDDQLHKLHWDXDE-STQMWFEESA-N 1 3 236.363 1.441 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000382842648 367563181 /nfs/dbraw/zinc/56/31/81/367563181.db2.gz WUNCLMALACLXMJ-OLZOCXBDSA-N 1 3 239.407 1.401 20 0 BDADHO CCC[C@@H](C)C[NH+](CCN(C)C)CCN(C)C ZINC000565508302 325920661 /nfs/dbraw/zinc/92/06/61/325920661.db2.gz POXHOTFPOUCBAI-CQSZACIVSA-N 1 3 243.439 1.848 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(O)c1 ZINC000383635168 367646504 /nfs/dbraw/zinc/64/65/04/367646504.db2.gz AIQHEYSUTMGFEA-TZMCWYRMSA-N 1 3 234.343 1.999 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)[C@H](C)O1 ZINC000384714289 367718879 /nfs/dbraw/zinc/71/88/79/367718879.db2.gz GZPXOLGZGSELHY-ROHXPCBUSA-N 1 3 212.337 1.269 20 0 BDADHO CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000386080778 367909096 /nfs/dbraw/zinc/90/90/96/367909096.db2.gz GTYIYUYDIAPAEW-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](NCC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000386104479 367912580 /nfs/dbraw/zinc/91/25/80/367912580.db2.gz KISCTQCXYBDGDA-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NCC1(N(C)C)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000385991379 367894157 /nfs/dbraw/zinc/89/41/57/367894157.db2.gz JCVLKBVQTPPIPD-STQMWFEESA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CN1 ZINC000399192900 367897475 /nfs/dbraw/zinc/89/74/75/367897475.db2.gz QRJVCCLGOBOMHZ-DGCLKSJQSA-N 1 3 237.391 1.343 20 0 BDADHO CCN(CCN[C@H](C)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000386012163 367897748 /nfs/dbraw/zinc/89/77/48/367897748.db2.gz MVKMNGJPNPTNDX-TZMCWYRMSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386036827 367901439 /nfs/dbraw/zinc/90/14/39/367901439.db2.gz RVJYPWFCLFLZBD-SCRDCRAPSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](NC[C@@H]1CCC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386509782 367983001 /nfs/dbraw/zinc/98/30/01/367983001.db2.gz WYYTUBNNADSIGZ-RFQIPJPRSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC000399255646 368047586 /nfs/dbraw/zinc/04/75/86/368047586.db2.gz ZRWMARUUHFEZHX-RHYQMDGZSA-N 1 3 212.337 1.284 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000442714042 201595083 /nfs/dbraw/zinc/59/50/83/201595083.db2.gz KLYJGWPVTLIAHY-UTUOFQBUSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)N(C)CC(=O)NCCC[N@H+](C)C(C)C ZINC000067573753 368692549 /nfs/dbraw/zinc/69/25/49/368692549.db2.gz RRNHWYSZBHTJSL-UHFFFAOYSA-N 1 3 243.395 1.173 20 0 BDADHO CC(C)N(C)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000067573753 368692554 /nfs/dbraw/zinc/69/25/54/368692554.db2.gz RRNHWYSZBHTJSL-UHFFFAOYSA-N 1 3 243.395 1.173 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccncc2)C1 ZINC000086403269 368880272 /nfs/dbraw/zinc/88/02/72/368880272.db2.gz FASHEOPOSCJVCF-STQMWFEESA-N 1 3 219.332 1.484 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000086403269 368880275 /nfs/dbraw/zinc/88/02/75/368880275.db2.gz FASHEOPOSCJVCF-STQMWFEESA-N 1 3 219.332 1.484 20 0 BDADHO CCNCCC[NH2+]C1CCC(OC)CC1 ZINC000567462519 326197619 /nfs/dbraw/zinc/19/76/19/326197619.db2.gz HQAGBUOQGDEANP-UHFFFAOYSA-N 1 3 214.353 1.533 20 0 BDADHO C(CNC1CC1)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000567652965 326239179 /nfs/dbraw/zinc/23/91/79/326239179.db2.gz ZZYBMHSLKKVBNB-CYBMUJFWSA-N 1 3 238.375 1.677 20 0 BDADHO Cn1nccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459729893 203344913 /nfs/dbraw/zinc/34/49/13/203344913.db2.gz JLBOJNWONAUAEP-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO Cn1nccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459729893 203344916 /nfs/dbraw/zinc/34/49/16/203344916.db2.gz JLBOJNWONAUAEP-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO Cn1nccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459729888 203345921 /nfs/dbraw/zinc/34/59/21/203345921.db2.gz JLBOJNWONAUAEP-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO Cn1nccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459729888 203345924 /nfs/dbraw/zinc/34/59/24/203345924.db2.gz JLBOJNWONAUAEP-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO CCn1nccc1CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000621775370 370522810 /nfs/dbraw/zinc/52/28/10/370522810.db2.gz NBQWYIULHKTSBV-NWDGAFQWSA-N 1 3 236.363 1.115 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@H]2CCCN2C)[C@@H](C)C1 ZINC000624100810 371306983 /nfs/dbraw/zinc/30/69/83/371306983.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000624100810 371306986 /nfs/dbraw/zinc/30/69/86/371306986.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@H]2CCCN2C)[C@@H](C)C1 ZINC000624100810 371306990 /nfs/dbraw/zinc/30/69/90/371306990.db2.gz JOZOLLDQHBAEDZ-BFHYXJOUSA-N 1 3 239.407 1.401 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120859 371321578 /nfs/dbraw/zinc/32/15/78/371321578.db2.gz IPKOKXPOZCRXMI-UPJWGTAASA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120859 371321583 /nfs/dbraw/zinc/32/15/83/371321583.db2.gz IPKOKXPOZCRXMI-UPJWGTAASA-N 1 3 228.380 1.731 20 0 BDADHO CN1CCCC[C@H](C[NH2+]C2CCC(O)CC2)C1 ZINC000624122889 371322708 /nfs/dbraw/zinc/32/27/08/371322708.db2.gz ASKPIBKKCJFIQX-IYXRBSQSSA-N 1 3 240.391 1.611 20 0 BDADHO CCCN1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257625 371443467 /nfs/dbraw/zinc/44/34/67/371443467.db2.gz KPSAHUDLGOEQPW-UHFFFAOYSA-N 1 3 249.358 1.751 20 0 BDADHO C[C@@H]1OCC[C@H]1CN(C)C1CC[NH2+]CC1 ZINC000631821114 372595643 /nfs/dbraw/zinc/59/56/43/372595643.db2.gz PGQVHRMIVMVSBS-QWRGUYRKSA-N 1 3 212.337 1.095 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCO[C@H]1C ZINC000631822170 372599128 /nfs/dbraw/zinc/59/91/28/372599128.db2.gz UZFHFARMNHNHIY-YNEHKIRRSA-N 1 3 228.380 1.717 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1CN ZINC000631836722 372625625 /nfs/dbraw/zinc/62/56/25/372625625.db2.gz FTKHCKMVVAAXRH-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1CN ZINC000631836722 372625630 /nfs/dbraw/zinc/62/56/30/372625630.db2.gz FTKHCKMVVAAXRH-UPJWGTAASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1CN(Cc2cccc(N)c2)C[C@H]1C[NH3+] ZINC000631838916 372633339 /nfs/dbraw/zinc/63/33/39/372633339.db2.gz XAGHLCJSYKFIPX-CMPLNLGQSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@H]1C[N@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000631838916 372633342 /nfs/dbraw/zinc/63/33/42/372633342.db2.gz XAGHLCJSYKFIPX-CMPLNLGQSA-N 1 3 219.332 1.295 20 0 BDADHO C[C@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H]1CN ZINC000631838916 372633347 /nfs/dbraw/zinc/63/33/47/372633347.db2.gz XAGHLCJSYKFIPX-CMPLNLGQSA-N 1 3 219.332 1.295 20 0 BDADHO COCCCC[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631868299 372670797 /nfs/dbraw/zinc/67/07/97/372670797.db2.gz CQFDVHSUAMVYNL-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCCO1 ZINC000424382145 206038080 /nfs/dbraw/zinc/03/80/80/206038080.db2.gz ZXHUIMBCCFTDHJ-KKOKHZNYSA-N 1 3 212.337 1.413 20 0 BDADHO CO[C@@H](C)[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369348 206038837 /nfs/dbraw/zinc/03/88/37/206038837.db2.gz BLIXVLYXMKMZPY-UKKRHICBSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCCO1 ZINC000424382143 206040549 /nfs/dbraw/zinc/04/05/49/206040549.db2.gz ZXHUIMBCCFTDHJ-DDHJBXDOSA-N 1 3 212.337 1.413 20 0 BDADHO CCCN(CC[NH+](C)C)C(=O)CN(C)C(C)C ZINC000104531389 169156109 /nfs/dbraw/zinc/15/61/09/169156109.db2.gz RKESNSJQYMJBCZ-UHFFFAOYSA-N 1 3 243.395 1.127 20 0 BDADHO CCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374429010 169204649 /nfs/dbraw/zinc/20/46/49/169204649.db2.gz NNFCPVMWZSBNDK-JHJVBQTASA-N 1 3 226.364 1.580 20 0 BDADHO c1ccc(CCC[NH2+]C2CCNCC2)cc1 ZINC000038040643 183391482 /nfs/dbraw/zinc/39/14/82/183391482.db2.gz JJADJJAADYMNTI-UHFFFAOYSA-N 1 3 218.344 1.961 20 0 BDADHO c1ccc(CCCNC2CC[NH2+]CC2)cc1 ZINC000038040643 183391485 /nfs/dbraw/zinc/39/14/85/183391485.db2.gz JJADJJAADYMNTI-UHFFFAOYSA-N 1 3 218.344 1.961 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236978889 169390334 /nfs/dbraw/zinc/39/03/34/169390334.db2.gz UYZPWHXFGLZTFT-WDEREUQCSA-N 1 3 243.395 1.206 20 0 BDADHO Cn1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000091008477 384094355 /nfs/dbraw/zinc/09/43/55/384094355.db2.gz DKPYPDVSXAYJMN-ZDUSSCGKSA-N 1 3 233.359 1.599 20 0 BDADHO COC[C@H](N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000397236421 384235070 /nfs/dbraw/zinc/23/50/70/384235070.db2.gz IWHMCUAWWNBIRM-RYUDHWBXSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCCNCC1)C1CC1 ZINC000397236421 384235076 /nfs/dbraw/zinc/23/50/76/384235076.db2.gz IWHMCUAWWNBIRM-RYUDHWBXSA-N 1 3 212.337 1.143 20 0 BDADHO COC1(C[N@H+](C)CC(C)(C)CN)CCCC1 ZINC000319215350 384215471 /nfs/dbraw/zinc/21/54/71/384215471.db2.gz SATVTTTWBWBJLU-UHFFFAOYSA-N 1 3 228.380 1.862 20 0 BDADHO COC1(C[N@@H+](C)CC(C)(C)CN)CCCC1 ZINC000319215350 384215473 /nfs/dbraw/zinc/21/54/73/384215473.db2.gz SATVTTTWBWBJLU-UHFFFAOYSA-N 1 3 228.380 1.862 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC000173914163 384284955 /nfs/dbraw/zinc/28/49/55/384284955.db2.gz QSLVCISOSCMGOI-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC000173914163 384284962 /nfs/dbraw/zinc/28/49/62/384284962.db2.gz QSLVCISOSCMGOI-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO Cc1ccc(C)c(C[N@@H+]2CCCO[C@H](CN)C2)c1 ZINC000313364233 384295584 /nfs/dbraw/zinc/29/55/84/384295584.db2.gz XOVQUOQRWSVRPF-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1ccc(C)c(C[N@H+]2CCCO[C@H](CN)C2)c1 ZINC000313364233 384295594 /nfs/dbraw/zinc/29/55/94/384295594.db2.gz XOVQUOQRWSVRPF-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO C(NC1CCCCC1)[C@H]1C[NH2+]CCCO1 ZINC000335627681 384408001 /nfs/dbraw/zinc/40/80/01/384408001.db2.gz GLPCDFJLURGYJV-GFCCVEGCSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@H]1OCC[C@@H]1NCC(C)(C)C[NH+](C)C ZINC000096033413 384423959 /nfs/dbraw/zinc/42/39/59/384423959.db2.gz QXZOUSARSUBJQP-MNOVXSKESA-N 1 3 214.353 1.341 20 0 BDADHO COCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084215733 384377408 /nfs/dbraw/zinc/37/74/08/384377408.db2.gz QUABKZUHDFHVON-GHMZBOCLSA-N 1 3 200.326 1.130 20 0 BDADHO CCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000036228935 384435388 /nfs/dbraw/zinc/43/53/88/384435388.db2.gz LIRNVXUVBDBTHO-YOGCLGLASA-N 1 3 212.337 1.238 20 0 BDADHO CCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036228935 384435392 /nfs/dbraw/zinc/43/53/92/384435392.db2.gz LIRNVXUVBDBTHO-YOGCLGLASA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H](CC(=O)Nc1ccccc1)NCCC[NH3+] ZINC000306009784 384469715 /nfs/dbraw/zinc/46/97/15/384469715.db2.gz MDHCPAJUOACNGO-NSHDSACASA-N 1 3 235.331 1.342 20 0 BDADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCN ZINC000306009784 384469720 /nfs/dbraw/zinc/46/97/20/384469720.db2.gz MDHCPAJUOACNGO-NSHDSACASA-N 1 3 235.331 1.342 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CCC1CC[NH2+]CC1 ZINC000335663074 384472211 /nfs/dbraw/zinc/47/22/11/384472211.db2.gz LFPMDVKKJPZGNC-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO N[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609608 384477915 /nfs/dbraw/zinc/47/79/15/384477915.db2.gz HIAGPPAMAFRAHG-VHSXEESVSA-N 1 3 200.351 1.163 20 0 BDADHO N[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609608 384477919 /nfs/dbraw/zinc/47/79/19/384477919.db2.gz HIAGPPAMAFRAHG-VHSXEESVSA-N 1 3 200.351 1.163 20 0 BDADHO C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CO1 ZINC000647176654 384498993 /nfs/dbraw/zinc/49/89/93/384498993.db2.gz SMFIUEYWWOVVBH-AAEUAGOBSA-N 1 3 238.375 1.770 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](COC)C(C)C)C1 ZINC000151129802 384542344 /nfs/dbraw/zinc/54/23/44/384542344.db2.gz CWSZBOKVOFBBDZ-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO CCCCOCCN1CCC[C@H](C[NH3+])C1 ZINC000049262554 384675132 /nfs/dbraw/zinc/67/51/32/384675132.db2.gz CNNOVNFCSBQOGR-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495102 384659972 /nfs/dbraw/zinc/65/99/72/384659972.db2.gz PIGAQTYFOWDENW-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCC(F)(F)[C@H]1O ZINC000423182968 384720640 /nfs/dbraw/zinc/72/06/40/384720640.db2.gz MDDODENHYHIVBM-JLIMGVALSA-N 1 3 236.306 1.251 20 0 BDADHO CC(C)[NH+]1CCC(NCC[C@H](C)O)CC1 ZINC000082992880 384733760 /nfs/dbraw/zinc/73/37/60/384733760.db2.gz JLAPSYWDJYPEHE-NSHDSACASA-N 1 3 214.353 1.220 20 0 BDADHO CN1CC=C(C[NH2+]C2CCC(O)CC2)CC1 ZINC000309939388 384735007 /nfs/dbraw/zinc/73/50/07/384735007.db2.gz BEGMQMOZBOIKIS-UHFFFAOYSA-N 1 3 224.348 1.141 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])C(C)C)C1(C)C ZINC000300387173 384743678 /nfs/dbraw/zinc/74/36/78/384743678.db2.gz MIILQXHYHDTKML-QJPTWQEYSA-N 1 3 228.380 1.763 20 0 BDADHO Cc1ccc(CN2CCC(O)(C[NH3+])CC2)s1 ZINC000335110934 384819499 /nfs/dbraw/zinc/81/94/99/384819499.db2.gz PUFLPRVKSITITC-UHFFFAOYSA-N 1 3 240.372 1.342 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@@H]1CCOC1 ZINC000309778348 384824673 /nfs/dbraw/zinc/82/46/73/384824673.db2.gz QKHGHSSIQYJDAH-UPJWGTAASA-N 1 3 228.380 1.589 20 0 BDADHO CCC[C@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236918237 384831889 /nfs/dbraw/zinc/83/18/89/384831889.db2.gz UYZPWHXFGLZTFT-MNOVXSKESA-N 1 3 243.395 1.206 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]C[C@H](C)CN(C)C ZINC000309730263 384782814 /nfs/dbraw/zinc/78/28/14/384782814.db2.gz FEVQDKNWEZNRMK-NWDGAFQWSA-N 1 3 224.352 1.059 20 0 BDADHO C[C@H](Cn1cccn1)NC[C@H](C)C[NH+](C)C ZINC000309730263 384782820 /nfs/dbraw/zinc/78/28/20/384782820.db2.gz FEVQDKNWEZNRMK-NWDGAFQWSA-N 1 3 224.352 1.059 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CCc2ccc(F)cc21 ZINC000423294004 384789237 /nfs/dbraw/zinc/78/92/37/384789237.db2.gz AXQWSNLWIGRMBR-RNCFNFMXSA-N 1 3 222.307 1.997 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581141697 384793228 /nfs/dbraw/zinc/79/32/28/384793228.db2.gz AADXZFJTRMKATR-CRWXNKLISA-N 1 3 240.391 1.645 20 0 BDADHO COC[C@H](NC[C@]1(C)CCC[NH2+]C1)C1CC1 ZINC000398109093 384807934 /nfs/dbraw/zinc/80/79/34/384807934.db2.gz NJXSJLGKHSGVKQ-QWHCGFSZSA-N 1 3 226.364 1.391 20 0 BDADHO COC[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CC1 ZINC000398109093 384807937 /nfs/dbraw/zinc/80/79/37/384807937.db2.gz NJXSJLGKHSGVKQ-QWHCGFSZSA-N 1 3 226.364 1.391 20 0 BDADHO COC[C@H](C)NCCC[NH+]1CCCCC1 ZINC000053172507 384887833 /nfs/dbraw/zinc/88/78/33/384887833.db2.gz GKAPOVSMNJARGW-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000335064901 384845931 /nfs/dbraw/zinc/84/59/31/384845931.db2.gz XLWNWGJQAXRZPG-QMTHXVAHSA-N 1 3 232.327 1.557 20 0 BDADHO Cc1ccc(CN[C@@H](C)CCC[NH3+])nc1C ZINC000314184095 384847163 /nfs/dbraw/zinc/84/71/63/384847163.db2.gz OUCDSCKBYIRHMV-NSHDSACASA-N 1 3 221.348 1.915 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]C1CCN(C2CC2)CC1 ZINC000310197922 384888813 /nfs/dbraw/zinc/88/88/13/384888813.db2.gz BGZLNXOXTLIHGI-LBPRGKRZSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc(OC(F)F)cc1 ZINC000310156492 384864635 /nfs/dbraw/zinc/86/46/35/384864635.db2.gz QGZOPANFEOSQNK-SECBINFHSA-N 1 3 244.285 1.972 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(F)cc1 ZINC000259039893 384951026 /nfs/dbraw/zinc/95/10/26/384951026.db2.gz PEUFZFDJGKVHHZ-STQMWFEESA-N 1 3 222.307 1.838 20 0 BDADHO Cc1ccc(CN2CCC[C@H](CC[NH3+])C2)nc1 ZINC000156600158 384904235 /nfs/dbraw/zinc/90/42/35/384904235.db2.gz AHPGTKFGQKDJNP-CYBMUJFWSA-N 1 3 233.359 1.951 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)CN(C)C ZINC000310268678 384933061 /nfs/dbraw/zinc/93/30/61/384933061.db2.gz SBXYUCHXDWQSPT-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1c(CN[C@H]2CCCC[C@@H]2C[NH3+])cnn1C ZINC000226305825 384967343 /nfs/dbraw/zinc/96/73/43/384967343.db2.gz JWERTSAQBZOYCD-YPMHNXCESA-N 1 3 236.363 1.336 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000087362986 384977196 /nfs/dbraw/zinc/97/71/96/384977196.db2.gz HHRAMLWQPCMAKD-WOPDTQHZSA-N 1 3 214.353 1.255 20 0 BDADHO CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000226439545 385022421 /nfs/dbraw/zinc/02/24/21/385022421.db2.gz OVOSWJOJOOLFKC-GXTWGEPZSA-N 1 3 237.391 1.155 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256448 385003905 /nfs/dbraw/zinc/00/39/05/385003905.db2.gz GGWUZEJPPSUIQH-STQMWFEESA-N 1 3 221.348 1.977 20 0 BDADHO CCn1nccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000157066435 385067129 /nfs/dbraw/zinc/06/71/29/385067129.db2.gz RXAUPBHIKBLDIR-LLVKDONJSA-N 1 3 236.363 1.462 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000340498714 385077789 /nfs/dbraw/zinc/07/77/89/385077789.db2.gz BDVJZLYPKVLCKX-AGIUHOORSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000340498714 385077796 /nfs/dbraw/zinc/07/77/96/385077796.db2.gz BDVJZLYPKVLCKX-AGIUHOORSA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCN2CCC[C@H]2C1)C(C)(C)O ZINC000340498714 385077800 /nfs/dbraw/zinc/07/78/00/385077800.db2.gz BDVJZLYPKVLCKX-AGIUHOORSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@@H](O)CNCC[C@@H](C)[NH+]1CCCCC1 ZINC000644621043 385026908 /nfs/dbraw/zinc/02/69/08/385026908.db2.gz OBDAPDYKWACTCN-VXGBXAGGSA-N 1 3 214.353 1.221 20 0 BDADHO C[C@@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000644621043 385026914 /nfs/dbraw/zinc/02/69/14/385026914.db2.gz OBDAPDYKWACTCN-VXGBXAGGSA-N 1 3 214.353 1.221 20 0 BDADHO CC1(C)[C@H](NCCOCC2CC2)C[C@@H]1[NH3+] ZINC000404846915 385101169 /nfs/dbraw/zinc/10/11/69/385101169.db2.gz DWZQSYUBBZXJSK-WDEREUQCSA-N 1 3 212.337 1.128 20 0 BDADHO CC1(C)[C@H]([NH2+]CCOCC2CC2)C[C@@H]1N ZINC000404846915 385101176 /nfs/dbraw/zinc/10/11/76/385101176.db2.gz DWZQSYUBBZXJSK-WDEREUQCSA-N 1 3 212.337 1.128 20 0 BDADHO CCOc1ccc(CN2CCC(C[NH3+])CC2)nc1 ZINC000647482193 385198354 /nfs/dbraw/zinc/19/83/54/385198354.db2.gz OATGVMSEBFJFBT-UHFFFAOYSA-N 1 3 249.358 1.651 20 0 BDADHO COCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157333793 385147748 /nfs/dbraw/zinc/14/77/48/385147748.db2.gz FIXMLAZIOWKCPC-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO Cc1csc(C[NH2+]C2CCNCC2)c1 ZINC000306836959 385211442 /nfs/dbraw/zinc/21/14/42/385211442.db2.gz VDWOZODJDQCYAS-UHFFFAOYSA-N 1 3 210.346 1.898 20 0 BDADHO C[C@H](C[NH2+]C[C@@H]1CCCOC1)CN(C)C ZINC000308898794 385253398 /nfs/dbraw/zinc/25/33/98/385253398.db2.gz JOJMHXQLTFAVBC-NEPJUHHUSA-N 1 3 214.353 1.200 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234457 385302805 /nfs/dbraw/zinc/30/28/05/385302805.db2.gz VBKYCHRLJVRKNW-FRRDWIJNSA-N 1 3 240.416 1.956 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234457 385302810 /nfs/dbraw/zinc/30/28/10/385302810.db2.gz VBKYCHRLJVRKNW-FRRDWIJNSA-N 1 3 240.416 1.956 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@H]1CCSC1 ZINC000300234457 385302814 /nfs/dbraw/zinc/30/28/14/385302814.db2.gz VBKYCHRLJVRKNW-FRRDWIJNSA-N 1 3 240.416 1.956 20 0 BDADHO Cc1noc(C)c1CN1CCC(C[NH3+])CC1 ZINC000044511799 385308162 /nfs/dbraw/zinc/30/81/62/385308162.db2.gz IHOGXUDTYLISGC-UHFFFAOYSA-N 1 3 223.320 1.462 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000299892172 385270742 /nfs/dbraw/zinc/27/07/42/385270742.db2.gz PTIUQMLIXIWWRY-VOAKCMCISA-N 1 3 224.348 1.116 20 0 BDADHO O[C@H]1CCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000299892172 385270747 /nfs/dbraw/zinc/27/07/47/385270747.db2.gz PTIUQMLIXIWWRY-VOAKCMCISA-N 1 3 224.348 1.116 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCCOCC1)CN(C)C ZINC000308915323 385281593 /nfs/dbraw/zinc/28/15/93/385281593.db2.gz NPXKQSSRVXGRLK-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCOCC1)CN(C)C ZINC000308915317 385282424 /nfs/dbraw/zinc/28/24/24/385282424.db2.gz NPXKQSSRVXGRLK-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CCc2ccccc21 ZINC000308992681 385336190 /nfs/dbraw/zinc/33/61/90/385336190.db2.gz OIIAHWAVYQHIOH-MFKMUULPSA-N 1 3 204.317 1.858 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000228151814 385349017 /nfs/dbraw/zinc/34/90/17/385349017.db2.gz CUHYHOOCBKVKES-QWRGUYRKSA-N 1 3 235.331 1.265 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@H]([NH3+])C2(C)C)O1 ZINC000405287716 385449281 /nfs/dbraw/zinc/44/92/81/385449281.db2.gz HIORGWXNWOFIDT-ZNSHCXBVSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](N)C2(C)C)O1 ZINC000405287716 385449287 /nfs/dbraw/zinc/44/92/87/385449287.db2.gz HIORGWXNWOFIDT-ZNSHCXBVSA-N 1 3 212.337 1.269 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000405285598 385453732 /nfs/dbraw/zinc/45/37/32/385453732.db2.gz FXDBFMNTBHJGAP-OLZOCXBDSA-N 1 3 234.343 1.781 20 0 BDADHO COC[C@H]([NH2+]CC[C@H]1CCCN1C)C1CC1 ZINC000183427251 385544999 /nfs/dbraw/zinc/54/49/99/385544999.db2.gz JITDOZHYEACNBP-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](NCC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000183427251 385545002 /nfs/dbraw/zinc/54/50/02/385545002.db2.gz JITDOZHYEACNBP-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](NCC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000183427251 385545007 /nfs/dbraw/zinc/54/50/07/385545007.db2.gz JITDOZHYEACNBP-OLZOCXBDSA-N 1 3 226.364 1.485 20 0 BDADHO CCc1ccc(C[NH2+]CCCN(C)C)cn1 ZINC000309489683 385618284 /nfs/dbraw/zinc/61/82/84/385618284.db2.gz WRAAHKWIMNPSME-UHFFFAOYSA-N 1 3 221.348 1.685 20 0 BDADHO CCCCOCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645433 385625746 /nfs/dbraw/zinc/62/57/46/385625746.db2.gz IDMIUYIQHQEQPD-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO Cn1cncc1C[NH2+][C@@H](CN)C1CCCCC1 ZINC000414851588 385654990 /nfs/dbraw/zinc/65/49/90/385654990.db2.gz POZCERIFVKWQNE-ZDUSSCGKSA-N 1 3 236.363 1.417 20 0 BDADHO c1ccc([C@@H]2C[C@@H]2N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643367030 385655134 /nfs/dbraw/zinc/65/51/34/385655134.db2.gz YCTDPYKCMMDWBS-XGUBFFRZSA-N 1 3 228.339 1.694 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337461130 385672694 /nfs/dbraw/zinc/67/26/94/385672694.db2.gz KLYZKCBMBNHDQQ-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CCO1 ZINC000414861805 385747780 /nfs/dbraw/zinc/74/77/80/385747780.db2.gz GKFSYMGBLJGENX-AGIUHOORSA-N 1 3 226.364 1.532 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1cccc(OC)n1 ZINC000414863130 385756910 /nfs/dbraw/zinc/75/69/10/385756910.db2.gz WULXXQVUJKDKMQ-NSHDSACASA-N 1 3 237.347 1.220 20 0 BDADHO CN1CC=C(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000309678205 385782871 /nfs/dbraw/zinc/78/28/71/385782871.db2.gz YPJUAKSTNSXSAV-ZDUSSCGKSA-N 1 3 224.348 1.265 20 0 BDADHO CCn1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647799872 385800039 /nfs/dbraw/zinc/80/00/39/385800039.db2.gz RYYWORHIAUISTB-FRRDWIJNSA-N 1 3 248.374 1.381 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCNC[C@H]1C ZINC000414948161 385807603 /nfs/dbraw/zinc/80/76/03/385807603.db2.gz XUMPLQKEQJNHIP-YRGRVCCFSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](CN)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414869148 385833762 /nfs/dbraw/zinc/83/37/62/385833762.db2.gz AEJYYZNWZNFCED-LBPRGKRZSA-N 1 3 248.370 1.739 20 0 BDADHO C[C@H]1SCC[C@@H]1[NH2+][C@H]1CCNCC[C@H]1C ZINC000647804189 385840790 /nfs/dbraw/zinc/84/07/90/385840790.db2.gz KYEOWSKAYOUSOY-WYUUTHIRSA-N 1 3 228.405 1.858 20 0 BDADHO CCCCOCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000122363309 385913839 /nfs/dbraw/zinc/91/38/39/385913839.db2.gz JYSOKKVUVOIJRY-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000294927468 385919158 /nfs/dbraw/zinc/91/91/58/385919158.db2.gz DBNUWWNZPIUXIU-UWVGGRQHSA-N 1 3 247.342 1.254 20 0 BDADHO CC[C@H](NCC1=CC[N@H+](C)CC1)c1cnn(C)c1 ZINC000271910506 385859495 /nfs/dbraw/zinc/85/94/95/385859495.db2.gz XXSVWNBYWHEOBS-AWEZNQCLSA-N 1 3 248.374 1.723 20 0 BDADHO CC[C@H](NCC1=CC[N@@H+](C)CC1)c1cnn(C)c1 ZINC000271910506 385859502 /nfs/dbraw/zinc/85/95/02/385859502.db2.gz XXSVWNBYWHEOBS-AWEZNQCLSA-N 1 3 248.374 1.723 20 0 BDADHO Cn1cnc2cc(C[NH2+]CC3(N)CCC3)ccc21 ZINC000414872376 385863455 /nfs/dbraw/zinc/86/34/55/385863455.db2.gz FVTWDOYLSIVTSO-UHFFFAOYSA-N 1 3 244.342 1.544 20 0 BDADHO CC(C)[C@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000084126086 385864525 /nfs/dbraw/zinc/86/45/25/385864525.db2.gz VEEVBUFKYYICQY-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)[C@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000084126086 385864531 /nfs/dbraw/zinc/86/45/31/385864531.db2.gz VEEVBUFKYYICQY-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO C([NH2+][C@H]1CCC12CCC2)[C@H]1CCCNC1 ZINC000335019552 385977735 /nfs/dbraw/zinc/97/77/35/385977735.db2.gz PXNXXJWKVICCLG-RYUDHWBXSA-N 1 3 208.349 1.908 20 0 BDADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000336747595 385979100 /nfs/dbraw/zinc/97/91/00/385979100.db2.gz XHTPYBABTDQWEA-GFCCVEGCSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CCNC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335022372 385982518 /nfs/dbraw/zinc/98/25/18/385982518.db2.gz DHQVVKHQHURMHJ-RISCZKNCSA-N 1 3 237.391 1.201 20 0 BDADHO COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)CN)C2 ZINC000414878666 385940835 /nfs/dbraw/zinc/94/08/35/385940835.db2.gz OOVVYPCNUJSKCJ-YPMHNXCESA-N 1 3 248.370 1.737 20 0 BDADHO CC[C@H]1C[N@H+](CCCN(CC)CC)C[C@@H]1O ZINC000338281814 385946138 /nfs/dbraw/zinc/94/61/38/385946138.db2.gz UUERCYVASRXGTR-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H]1C[N@@H+](CCCN(CC)CC)C[C@@H]1O ZINC000338281814 385946146 /nfs/dbraw/zinc/94/61/46/385946146.db2.gz UUERCYVASRXGTR-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO Cc1ccc(NC(=O)[C@@H](C)C[NH3+])c(CN(C)C)c1 ZINC000285793999 385964401 /nfs/dbraw/zinc/96/44/01/385964401.db2.gz PEFWRDCTZGJNPF-NSHDSACASA-N 1 3 249.358 1.590 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCC12CCCC2)C1CNC1 ZINC000335012238 385968709 /nfs/dbraw/zinc/96/87/09/385968709.db2.gz XHBUYVLCQBEANY-PWSUYJOCSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC12CCCC2)C1CNC1 ZINC000335012236 385969391 /nfs/dbraw/zinc/96/93/91/385969391.db2.gz XHBUYVLCQBEANY-CMPLNLGQSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCCCC1 ZINC000335012180 385969616 /nfs/dbraw/zinc/96/96/16/385969616.db2.gz WYJPZTDUSNHNNM-NWDGAFQWSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@H]1CN(C)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000335012180 385969627 /nfs/dbraw/zinc/96/96/27/385969627.db2.gz WYJPZTDUSNHNNM-NWDGAFQWSA-N 1 3 225.380 1.188 20 0 BDADHO CN(C[C@@H](O)C[NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000336753423 386023273 /nfs/dbraw/zinc/02/32/73/386023273.db2.gz WHUOGMQLKARIIQ-UWVGGRQHSA-N 1 3 236.306 1.063 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc(OC)cc1 ZINC000414979791 386046946 /nfs/dbraw/zinc/04/69/46/386046946.db2.gz ONXDHNZQIOBCKJ-NSHDSACASA-N 1 3 208.305 1.522 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](C)CN)CCO1 ZINC000414886388 386075090 /nfs/dbraw/zinc/07/50/90/386075090.db2.gz XYELROZTODMCSN-GRYCIOLGSA-N 1 3 214.353 1.374 20 0 BDADHO COC(=O)[C@@H]1CCCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673866 386147569 /nfs/dbraw/zinc/14/75/69/386147569.db2.gz CZLBAFWGFWMELO-TUAOUCFPSA-N 1 3 240.347 1.012 20 0 BDADHO CC[C@@H]([NH3+])CNCCCc1ccc(C)nc1 ZINC000414992815 386158560 /nfs/dbraw/zinc/15/85/60/386158560.db2.gz SBDIFYFXWVKWPY-CYBMUJFWSA-N 1 3 221.348 1.650 20 0 BDADHO C[NH+]1CCC(NCc2cccc(CO)c2)CC1 ZINC000225132286 386169974 /nfs/dbraw/zinc/16/99/74/386169974.db2.gz PZKCEHHAKXSXJL-UHFFFAOYSA-N 1 3 234.343 1.363 20 0 BDADHO CCOCCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164665955 386188681 /nfs/dbraw/zinc/18/86/81/386188681.db2.gz IUDIVEWDQBUNEU-NWDGAFQWSA-N 1 3 214.353 1.330 20 0 BDADHO CCOCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164665955 386188690 /nfs/dbraw/zinc/18/86/90/386188690.db2.gz IUDIVEWDQBUNEU-NWDGAFQWSA-N 1 3 214.353 1.330 20 0 BDADHO [NH3+]CCCN1CC[C@H](c2ccc(F)cc2)C1 ZINC000414693193 386188796 /nfs/dbraw/zinc/18/87/96/386188796.db2.gz LHQDYSQJLCGKSH-LBPRGKRZSA-N 1 3 222.307 1.964 20 0 BDADHO CCOCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000164665955 386188696 /nfs/dbraw/zinc/18/86/96/386188696.db2.gz IUDIVEWDQBUNEU-NWDGAFQWSA-N 1 3 214.353 1.330 20 0 BDADHO CC[C@@H]([NH3+])CNC1Cc2ccccc2C1 ZINC000414997086 386189133 /nfs/dbraw/zinc/18/91/33/386189133.db2.gz YSMJKZIFWVITSK-GFCCVEGCSA-N 1 3 204.317 1.481 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414706020 386220797 /nfs/dbraw/zinc/22/07/97/386220797.db2.gz OFTDSZWOFVUFQU-JHJVBQTASA-N 1 3 240.391 1.861 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414706020 386220801 /nfs/dbraw/zinc/22/08/01/386220801.db2.gz OFTDSZWOFVUFQU-JHJVBQTASA-N 1 3 240.391 1.861 20 0 BDADHO CCC(CC)(CO)NC[C@@H]([NH3+])CC(C)C ZINC000414706958 386222759 /nfs/dbraw/zinc/22/27/59/386222759.db2.gz LWDKCJOUMMFUAP-NSHDSACASA-N 1 3 216.369 1.501 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](N)[C@@H](C)C2)CCO1 ZINC000347099026 386250319 /nfs/dbraw/zinc/25/03/19/386250319.db2.gz JCFPQSJWEUOIDT-REWJHTLYSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N)[C@@H](C)C2)CCO1 ZINC000347099026 386250322 /nfs/dbraw/zinc/25/03/22/386250322.db2.gz JCFPQSJWEUOIDT-REWJHTLYSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](CN2CC[C@@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000347099026 386250325 /nfs/dbraw/zinc/25/03/25/386250325.db2.gz JCFPQSJWEUOIDT-REWJHTLYSA-N 1 3 240.391 1.861 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCCC[C@H]2CN)COC1 ZINC000393959540 386257050 /nfs/dbraw/zinc/25/70/50/386257050.db2.gz BESVJSFVJQOXSD-NWDGAFQWSA-N 1 3 226.364 1.520 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](CCCCO)C1CC1 ZINC000414694316 386191889 /nfs/dbraw/zinc/19/18/89/386191889.db2.gz NDUGAQLLHYTALQ-GFCCVEGCSA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](CCCCO)C1CC1 ZINC000414694316 386191893 /nfs/dbraw/zinc/19/18/93/386191893.db2.gz NDUGAQLLHYTALQ-GFCCVEGCSA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN(C)C(C)C ZINC000236736872 386305917 /nfs/dbraw/zinc/30/59/17/386305917.db2.gz ZXDDYDOQTUYYRH-LBPRGKRZSA-N 1 3 243.395 1.158 20 0 BDADHO CCN1C[C@@H](C)N(CC[NH2+]C(C)(C)C)C[C@H]1C ZINC000414735249 386311135 /nfs/dbraw/zinc/31/11/35/386311135.db2.gz GRFNKPJVHUFEME-CHWSQXEVSA-N 1 3 241.423 1.789 20 0 BDADHO Cc1nocc1CNCCC1CC[NH+](C)CC1 ZINC000339237023 386312640 /nfs/dbraw/zinc/31/26/40/386312640.db2.gz KZMHAKACHXOOQI-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1ccc([O-])c(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000091996064 386318263 /nfs/dbraw/zinc/31/82/63/386318263.db2.gz KOFYQFYKVAHMPF-UHFFFAOYSA-N 1 3 235.331 1.266 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC2(O)CCC2)C1 ZINC000336671332 386318839 /nfs/dbraw/zinc/31/88/39/386318839.db2.gz JLRXLBUXVQSVJB-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC2(O)CCC2)C1 ZINC000336671332 386318842 /nfs/dbraw/zinc/31/88/42/386318842.db2.gz JLRXLBUXVQSVJB-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC2(O)CCC2)C1 ZINC000336671332 386318848 /nfs/dbraw/zinc/31/88/48/386318848.db2.gz JLRXLBUXVQSVJB-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC2(O)CCC2)C1 ZINC000336671332 386318850 /nfs/dbraw/zinc/31/88/50/386318850.db2.gz JLRXLBUXVQSVJB-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN[C@@H](CO)C(C)(C)C ZINC000414740866 386322395 /nfs/dbraw/zinc/32/23/95/386322395.db2.gz LTPVTFIAHSONKH-MNOVXSKESA-N 1 3 216.369 1.356 20 0 BDADHO CO[C@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000336652980 386270055 /nfs/dbraw/zinc/27/00/55/386270055.db2.gz XKFGWSVHHYRIFF-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO CO[C@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000336652980 386270061 /nfs/dbraw/zinc/27/00/61/386270061.db2.gz XKFGWSVHHYRIFF-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428039475 386270308 /nfs/dbraw/zinc/27/03/08/386270308.db2.gz FGLYGPVADCYIQD-KGLIPLIRSA-N 1 3 248.374 1.265 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336682731 386340122 /nfs/dbraw/zinc/34/01/22/386340122.db2.gz YPOJKIBVHYNFLB-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336682731 386340128 /nfs/dbraw/zinc/34/01/28/386340128.db2.gz YPOJKIBVHYNFLB-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@H](C3CC3)C2)CC[NH2+]1 ZINC000414748039 386359695 /nfs/dbraw/zinc/35/96/95/386359695.db2.gz UBGTXONFJMMING-DYEKYZERSA-N 1 3 238.375 1.485 20 0 BDADHO C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCSC1 ZINC000335271792 386361574 /nfs/dbraw/zinc/36/15/74/386361574.db2.gz VHJGGEMHLHSJPR-WDEREUQCSA-N 1 3 214.378 1.471 20 0 BDADHO CC(C)[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906072 386372062 /nfs/dbraw/zinc/37/20/62/386372062.db2.gz ORGVJECSXZIUGP-HZSPNIEDSA-N 1 3 240.391 1.922 20 0 BDADHO CNCc1ccccc1NC(=O)CCC1C[NH2+]C1 ZINC000637808512 386372570 /nfs/dbraw/zinc/37/25/70/386372570.db2.gz JDGJGAYWLMOCNS-UHFFFAOYSA-N 1 3 247.342 1.344 20 0 BDADHO C[C@H](CC1CCOCC1)CN(C)C1CC([NH3+])C1 ZINC000414767839 386442839 /nfs/dbraw/zinc/44/28/39/386442839.db2.gz GWBOKHIJSDQLGM-LMWSTFAQSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)Cc1cnccn1 ZINC000347353322 386391375 /nfs/dbraw/zinc/39/13/75/386391375.db2.gz ACEOAHOWRPPUNT-RYUDHWBXSA-N 1 3 236.363 1.337 20 0 BDADHO Cc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccn1 ZINC000391121443 386410776 /nfs/dbraw/zinc/41/07/76/386410776.db2.gz JKWXQCRMWQFJPG-QWHCGFSZSA-N 1 3 219.332 1.607 20 0 BDADHO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](C)N ZINC000442663579 386419248 /nfs/dbraw/zinc/41/92/48/386419248.db2.gz HVCRIZULYNQSAJ-ZYHUDNBSSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](C)N ZINC000442663579 386419251 /nfs/dbraw/zinc/41/92/51/386419251.db2.gz HVCRIZULYNQSAJ-ZYHUDNBSSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1cnn(CC[N@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000336709569 386421738 /nfs/dbraw/zinc/42/17/38/386421738.db2.gz OLWWIDPCEFJAQE-ZDUSSCGKSA-N 1 3 236.363 1.075 20 0 BDADHO Cc1cnn(CC[N@@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000336709569 386421742 /nfs/dbraw/zinc/42/17/42/386421742.db2.gz OLWWIDPCEFJAQE-ZDUSSCGKSA-N 1 3 236.363 1.075 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000334449401 386433146 /nfs/dbraw/zinc/43/31/46/386433146.db2.gz QACLARCQQBLORI-GFCCVEGCSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCOC2)C[C@H]1CN ZINC000397312743 386436096 /nfs/dbraw/zinc/43/60/96/386436096.db2.gz PKKOKHACEFXEJF-ZOBORPQBSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCOC2)C[C@H]1CN ZINC000397312743 386436104 /nfs/dbraw/zinc/43/61/04/386436104.db2.gz PKKOKHACEFXEJF-ZOBORPQBSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000415011110 386484387 /nfs/dbraw/zinc/48/43/87/386484387.db2.gz QDSCNCVDZODPLZ-IUCAKERBSA-N 1 3 218.304 1.388 20 0 BDADHO O[C@H]1C[NH2+]C[C@@H]1CNCCC1CCCCCC1 ZINC000414778184 386485043 /nfs/dbraw/zinc/48/50/43/386485043.db2.gz DYCWTNKQZYLULR-KBPBESRZSA-N 1 3 240.391 1.517 20 0 BDADHO CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000415011150 386485384 /nfs/dbraw/zinc/48/53/84/386485384.db2.gz QGDSSTSRHXWITB-ZJUUUORDSA-N 1 3 235.331 1.470 20 0 BDADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1cnccn1 ZINC000227499096 386485671 /nfs/dbraw/zinc/48/56/71/386485671.db2.gz ZROIINVPANHULP-LBPRGKRZSA-N 1 3 248.374 1.859 20 0 BDADHO C1CC1[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415020006 386508246 /nfs/dbraw/zinc/50/82/46/386508246.db2.gz AOLSAFFQULOVMP-IEECTRCBSA-N 1 3 206.333 1.373 20 0 BDADHO Cc1nc(F)ccc1C[NH2+][C@H](C)CCN(C)C ZINC000278319074 386512101 /nfs/dbraw/zinc/51/21/01/386512101.db2.gz DTDPXDJRMCRAKO-SNVBAGLBSA-N 1 3 239.338 1.959 20 0 BDADHO c1cncc([C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000335448009 386514657 /nfs/dbraw/zinc/51/46/57/386514657.db2.gz JIBRRIITQQUPDI-UKRRQHHQSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000335448009 386514660 /nfs/dbraw/zinc/51/46/60/386514660.db2.gz JIBRRIITQQUPDI-UKRRQHHQSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)c1 ZINC000335448009 386514662 /nfs/dbraw/zinc/51/46/62/386514662.db2.gz JIBRRIITQQUPDI-UKRRQHHQSA-N 1 3 245.370 1.871 20 0 BDADHO CCOC[C@H](C)NC[C@]1(C)CCC[NH2+]C1 ZINC000414916245 386521256 /nfs/dbraw/zinc/52/12/56/386521256.db2.gz PGVGAMQKXASLIW-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000414916245 386521258 /nfs/dbraw/zinc/52/12/58/386521258.db2.gz PGVGAMQKXASLIW-NWDGAFQWSA-N 1 3 214.353 1.391 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543659 386523429 /nfs/dbraw/zinc/52/34/29/386523429.db2.gz IAXPNOYMEFOKSA-RYUDHWBXSA-N 1 3 249.362 1.078 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425543659 386523437 /nfs/dbraw/zinc/52/34/37/386523437.db2.gz IAXPNOYMEFOKSA-RYUDHWBXSA-N 1 3 249.362 1.078 20 0 BDADHO CCCC[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000415035972 386524845 /nfs/dbraw/zinc/52/48/45/386524845.db2.gz JMDQVDROYMRDPJ-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO Cc1ncccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000414787897 386528323 /nfs/dbraw/zinc/52/83/23/386528323.db2.gz CWPFVIUKOZLCHJ-DGCLKSJQSA-N 1 3 219.332 1.607 20 0 BDADHO COCc1cccc(C[NH2+]C[C@H](N)C(C)C)c1 ZINC000414801118 386590457 /nfs/dbraw/zinc/59/04/57/386590457.db2.gz TVTYFIOVDWXMJS-AWEZNQCLSA-N 1 3 236.359 1.906 20 0 BDADHO Cc1ccccc1OCC[NH2+]C1CCNCC1 ZINC000415081125 386593107 /nfs/dbraw/zinc/59/31/07/386593107.db2.gz KDWVMMAGPAZBAW-UHFFFAOYSA-N 1 3 234.343 1.715 20 0 BDADHO CC[C@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415057911 386537948 /nfs/dbraw/zinc/53/79/48/386537948.db2.gz HMDRKUCFZVKHEH-JZRPKSSGSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)CC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414789765 386539631 /nfs/dbraw/zinc/53/96/31/386539631.db2.gz YXMZENIVBNMOCL-ZDUSSCGKSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)CC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414789765 386539633 /nfs/dbraw/zinc/53/96/33/386539633.db2.gz YXMZENIVBNMOCL-ZDUSSCGKSA-N 1 3 240.391 1.720 20 0 BDADHO CCOC[C@@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415067429 386547218 /nfs/dbraw/zinc/54/72/18/386547218.db2.gz PDZCJKQCGOREBP-ZYHUDNBSSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)C(C)(C)C ZINC000336755909 386548038 /nfs/dbraw/zinc/54/80/38/386548038.db2.gz JAHHVDAQGWKQLE-LLVKDONJSA-N 1 3 216.369 1.589 20 0 BDADHO CCOC[C@H](C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415067427 386548697 /nfs/dbraw/zinc/54/86/97/386548697.db2.gz PDZCJKQCGOREBP-JQWIXIFHSA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@H]1CN(CCCCCOC)CC[C@H]1[NH3+] ZINC000647936818 386556870 /nfs/dbraw/zinc/55/68/70/386556870.db2.gz LUBLWSUXTWUTMC-QWHCGFSZSA-N 1 3 228.380 1.862 20 0 BDADHO CCc1ccccc1[C@H](N)CNCC(C)(C)[NH3+] ZINC000415073021 386561203 /nfs/dbraw/zinc/56/12/03/386561203.db2.gz YTTAWYJJJIELGE-CYBMUJFWSA-N 1 3 235.375 1.576 20 0 BDADHO COCC(C)(C)CNC[C@H]([NH3+])C(C)C ZINC000414796179 386566177 /nfs/dbraw/zinc/56/61/77/386566177.db2.gz NSXRBPVHMDAZJU-JTQLQIEISA-N 1 3 202.342 1.232 20 0 BDADHO CCN1CCCC[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000415074625 386567218 /nfs/dbraw/zinc/56/72/18/386567218.db2.gz DAOICYHHHPPGAF-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO C[C@H](N[C@H]1CCCC[NH2+]C1)C1CCOCC1 ZINC000335497929 386623877 /nfs/dbraw/zinc/62/38/77/386623877.db2.gz AZYAWOANITWPRQ-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](C[NH2+]Cc1ccccc1)CN(C)C ZINC000291785629 386625457 /nfs/dbraw/zinc/62/54/57/386625457.db2.gz VLPNPTUJGYZFKF-LBPRGKRZSA-N 1 3 206.333 1.974 20 0 BDADHO CC[C@@H]1C[C@@H](CN(C)CCC[NH2+]C)CCO1 ZINC000415138985 386633838 /nfs/dbraw/zinc/63/38/38/386633838.db2.gz WBUDDETWKIPVJI-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+](C)CCCNC)CCO1 ZINC000415138985 386633841 /nfs/dbraw/zinc/63/38/41/386633841.db2.gz WBUDDETWKIPVJI-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+](C)CCCNC)CCO1 ZINC000415138985 386633845 /nfs/dbraw/zinc/63/38/45/386633845.db2.gz WBUDDETWKIPVJI-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO C(N[C@@H]1CCC12CCCC2)[C@H]1C[NH2+]CCCO1 ZINC000335488141 386604869 /nfs/dbraw/zinc/60/48/69/386604869.db2.gz NDZJFUXYKGSFSG-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO C(N[C@H]1CCC12CCCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335488144 386605101 /nfs/dbraw/zinc/60/51/01/386605101.db2.gz NDZJFUXYKGSFSG-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO CC1(C)CC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000335489431 386606883 /nfs/dbraw/zinc/60/68/83/386606883.db2.gz WIFZFTLKGOHFGO-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc2c(c1)CNC2 ZINC000335492789 386611602 /nfs/dbraw/zinc/61/16/02/386611602.db2.gz BWMXRARJKNNZLW-IUCAKERBSA-N 1 3 233.315 1.212 20 0 BDADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CCC[NH2+]C1 ZINC000335494686 386616846 /nfs/dbraw/zinc/61/68/46/386616846.db2.gz INNQHMDFQIEMDN-LLVKDONJSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCNC1 ZINC000415107556 386617670 /nfs/dbraw/zinc/61/76/70/386617670.db2.gz JDQCPXYZEJAKBW-JSGCOSHPSA-N 1 3 233.359 1.744 20 0 BDADHO COc1cccc(C[C@@H](C)NCC[C@H](C)[NH3+])n1 ZINC000414819914 386660073 /nfs/dbraw/zinc/66/00/73/386660073.db2.gz IQNKRHDSRRAKFV-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]CC[C@H](C)N)n1 ZINC000414819914 386660078 /nfs/dbraw/zinc/66/00/78/386660078.db2.gz IQNKRHDSRRAKFV-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO C[C@H](N)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000414823730 386679813 /nfs/dbraw/zinc/67/98/13/386679813.db2.gz PGDMUJFLTJBKAF-ZDUSSCGKSA-N 1 3 247.386 1.982 20 0 BDADHO C[C@H]([NH3+])CCNC1CCN(c2ccccc2)CC1 ZINC000414823730 386679823 /nfs/dbraw/zinc/67/98/23/386679823.db2.gz PGDMUJFLTJBKAF-ZDUSSCGKSA-N 1 3 247.386 1.982 20 0 BDADHO CCOC(=O)C1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000414818233 386657691 /nfs/dbraw/zinc/65/76/91/386657691.db2.gz DHMJJTYBKVTBJB-UNXYVOJBSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H]([NH3+])CCNCc1cccc2c[nH]nc21 ZINC000414818213 386657905 /nfs/dbraw/zinc/65/79/05/386657905.db2.gz DFGDUHITMMUOPR-SECBINFHSA-N 1 3 218.304 1.390 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414926988 386686716 /nfs/dbraw/zinc/68/67/16/386686716.db2.gz KODUQBAEAAICHC-NFAWXSAZSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](C[NH3+])N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414926988 386686721 /nfs/dbraw/zinc/68/67/21/386686721.db2.gz KODUQBAEAAICHC-NFAWXSAZSA-N 1 3 247.386 1.759 20 0 BDADHO [NH3+]CCOCCN1CCC[C@H]1c1cccs1 ZINC000357022164 386693361 /nfs/dbraw/zinc/69/33/61/386693361.db2.gz BDYDPROVVORJBG-NSHDSACASA-N 1 3 240.372 1.860 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1cccnc1 ZINC000122338324 386740548 /nfs/dbraw/zinc/74/05/48/386740548.db2.gz WQGMZIPGEJQBKQ-DGCLKSJQSA-N 1 3 219.332 1.293 20 0 BDADHO CC[C@@H](COC)NCC1([NH3+])CCCCC1 ZINC000414833819 386713221 /nfs/dbraw/zinc/71/32/21/386713221.db2.gz AYGRHXXMDTXMPF-NSHDSACASA-N 1 3 214.353 1.663 20 0 BDADHO CC[C@@H](COC)[NH2+]CC1(N)CCCCC1 ZINC000414833819 386713226 /nfs/dbraw/zinc/71/32/26/386713226.db2.gz AYGRHXXMDTXMPF-NSHDSACASA-N 1 3 214.353 1.663 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](NCC[NH2+]C)C[C@H]1C ZINC000414832885 386720270 /nfs/dbraw/zinc/72/02/70/386720270.db2.gz RNRXQDSUONHDLU-GRYCIOLGSA-N 1 3 242.363 1.163 20 0 BDADHO CC[C@@H](C)C[NH2+]CCCN(C)CCN(C)C ZINC000623088098 386725123 /nfs/dbraw/zinc/72/51/23/386725123.db2.gz WHXQAPMUOGNDCS-CYBMUJFWSA-N 1 3 229.412 1.506 20 0 BDADHO CNC[C@@H](C)C[NH2+]C1CCC(OC)CC1 ZINC000414835366 386728003 /nfs/dbraw/zinc/72/80/03/386728003.db2.gz IKVFPVKIOUZMFF-VOMCLLRMSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]CCNC[C@@H](C)CC1CCOCC1 ZINC000414835569 386728602 /nfs/dbraw/zinc/72/86/02/386728602.db2.gz VDPWBGCXZIOYFZ-NSHDSACASA-N 1 3 214.353 1.248 20 0 BDADHO CC[C@H](COC)N[C@@H](C[NH3+])CC(C)C ZINC000414840093 386744688 /nfs/dbraw/zinc/74/46/88/386744688.db2.gz MGNHPSLKPZHIFU-GHMZBOCLSA-N 1 3 202.342 1.374 20 0 BDADHO CC[C@H]1CCCCC[N@@H+]1CCN1CCNCC1 ZINC000125054992 386753119 /nfs/dbraw/zinc/75/31/19/386753119.db2.gz OTEGRVCBVIPQAY-AWEZNQCLSA-N 1 3 239.407 1.546 20 0 BDADHO CC[C@H]1CCCCC[N@H+]1CCN1CCNCC1 ZINC000125054992 386753125 /nfs/dbraw/zinc/75/31/25/386753125.db2.gz OTEGRVCBVIPQAY-AWEZNQCLSA-N 1 3 239.407 1.546 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@@H](C)C1 ZINC000425940120 386753711 /nfs/dbraw/zinc/75/37/11/386753711.db2.gz VXJPTDPYBVOKSK-RDBSUJKOSA-N 1 3 241.423 1.504 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCN2)CCO1 ZINC000414841327 386755093 /nfs/dbraw/zinc/75/50/93/386755093.db2.gz HTYMCSWZVSEQCP-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH+](C)CCc1ccc(NC(=O)C(C)(C)N)cc1 ZINC000269234318 386762753 /nfs/dbraw/zinc/76/27/53/386762753.db2.gz FXKSVYCXVGCNEC-UHFFFAOYSA-N 1 3 249.358 1.467 20 0 BDADHO COCc1ccc(C[NH2+][C@H]2CNCC[C@H]2C)cc1 ZINC000414931552 386764958 /nfs/dbraw/zinc/76/49/58/386764958.db2.gz QEJVJOARNUUMOL-DOMZBBRYSA-N 1 3 248.370 1.921 20 0 BDADHO C[C@H](C[NH3+])N[C@H](C)CCc1n[nH]c2ccccc12 ZINC000414934084 386794872 /nfs/dbraw/zinc/79/48/72/386794872.db2.gz UYJDWCOLJGAFPU-GHMZBOCLSA-N 1 3 246.358 1.821 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)CN1CCCC1 ZINC000192485057 386774354 /nfs/dbraw/zinc/77/43/54/386774354.db2.gz OEQSFOGLELNCJZ-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOCC(F)F ZINC000336666304 386777419 /nfs/dbraw/zinc/77/74/19/386777419.db2.gz LUGWBZIPSVJSNT-SNVBAGLBSA-N 1 3 224.295 1.231 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417840797 386799523 /nfs/dbraw/zinc/79/95/23/386799523.db2.gz SKOUQSUKNFCPMH-YPMHNXCESA-N 1 3 241.379 1.138 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417864953 386806999 /nfs/dbraw/zinc/80/69/99/386806999.db2.gz BUCZTVJHTCFGGL-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417864953 386807001 /nfs/dbraw/zinc/80/70/01/386807001.db2.gz BUCZTVJHTCFGGL-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000417864953 386807007 /nfs/dbraw/zinc/80/70/07/386807007.db2.gz BUCZTVJHTCFGGL-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000398540969 386840373 /nfs/dbraw/zinc/84/03/73/386840373.db2.gz GWEITBAOOJHTQX-WOPDTQHZSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@H](O)C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341289177 386862731 /nfs/dbraw/zinc/86/27/31/386862731.db2.gz URNSNESAUAEKJL-RYUDHWBXSA-N 1 3 242.407 1.998 20 0 BDADHO COC(=O)C(C)(C)CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC000414944177 386902599 /nfs/dbraw/zinc/90/25/99/386902599.db2.gz GFRZHMATOFLJEV-MNOVXSKESA-N 1 3 242.363 1.306 20 0 BDADHO COC(=O)C(C)(C)CC[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414944177 386902605 /nfs/dbraw/zinc/90/26/05/386902605.db2.gz GFRZHMATOFLJEV-MNOVXSKESA-N 1 3 242.363 1.306 20 0 BDADHO C[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856214 386908674 /nfs/dbraw/zinc/90/86/74/386908674.db2.gz HELSRTADXIKENJ-GWCFXTLKSA-N 1 3 244.342 1.651 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000358392793 386946820 /nfs/dbraw/zinc/94/68/20/386946820.db2.gz ZCLJHGQAJQIMSP-QWHCGFSZSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000358392793 386946823 /nfs/dbraw/zinc/94/68/23/386946823.db2.gz ZCLJHGQAJQIMSP-QWHCGFSZSA-N 1 3 248.374 1.400 20 0 BDADHO CC(C)(O)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331892376 386922507 /nfs/dbraw/zinc/92/25/07/386922507.db2.gz DKFRZWWBUAEYAO-QWRGUYRKSA-N 1 3 214.353 1.397 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000331892378 386922697 /nfs/dbraw/zinc/92/26/97/386922697.db2.gz DKFRZWWBUAEYAO-WDEREUQCSA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331956047 386929888 /nfs/dbraw/zinc/92/98/88/386929888.db2.gz JTRKXFCBQDCIAT-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000334872262 386933603 /nfs/dbraw/zinc/93/36/03/386933603.db2.gz CNXUTTSPUVEWBB-PRHODGIISA-N 1 3 224.735 1.744 20 0 BDADHO CS[C@H]1CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000425353844 386963156 /nfs/dbraw/zinc/96/31/56/386963156.db2.gz NJYSVHUZTDGBFC-RYUDHWBXSA-N 1 3 226.389 1.732 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CCOCC2(CC2)C1 ZINC000334898497 386972374 /nfs/dbraw/zinc/97/23/74/386972374.db2.gz IAOOHEGOHZJTFQ-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CCOCC2(CC2)C1 ZINC000334898497 386972377 /nfs/dbraw/zinc/97/23/77/386972377.db2.gz IAOOHEGOHZJTFQ-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO c1ccc2c(c1)CCN[C@H]2CN[C@H]1CCC[NH2+]C1 ZINC000334820767 386949634 /nfs/dbraw/zinc/94/96/34/386949634.db2.gz TUBDEWILTSGPAQ-ZFWWWQNUSA-N 1 3 245.370 1.215 20 0 BDADHO CCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000334979897 387066446 /nfs/dbraw/zinc/06/64/46/387066446.db2.gz KBDAIWWUZAUQRB-LLVKDONJSA-N 1 3 212.337 1.084 20 0 BDADHO CCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000334979897 387066448 /nfs/dbraw/zinc/06/64/48/387066448.db2.gz KBDAIWWUZAUQRB-LLVKDONJSA-N 1 3 212.337 1.084 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369654302 387057389 /nfs/dbraw/zinc/05/73/89/387057389.db2.gz CPUYYNNVOGNHHE-RQJABVFESA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369654302 387057391 /nfs/dbraw/zinc/05/73/91/387057391.db2.gz CPUYYNNVOGNHHE-RQJABVFESA-N 1 3 238.375 1.173 20 0 BDADHO CN(CCc1ccncc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842513 387074971 /nfs/dbraw/zinc/07/49/71/387074971.db2.gz SFVXJDLONWYDER-OAHLLOKOSA-N 1 3 247.386 1.898 20 0 BDADHO CN(CCc1ccncc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842513 387074975 /nfs/dbraw/zinc/07/49/75/387074975.db2.gz SFVXJDLONWYDER-OAHLLOKOSA-N 1 3 247.386 1.898 20 0 BDADHO C[C@H](C[NH2+]C[C@H]1C[C@H]1C)CN1CCCC1 ZINC000336765720 387080882 /nfs/dbraw/zinc/08/08/82/387080882.db2.gz RKBDWUYFRGHQBB-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO Cc1ccncc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228533726 387101651 /nfs/dbraw/zinc/10/16/51/387101651.db2.gz CKRMYMMEBZFVAF-NWANDNLSSA-N 1 3 245.370 1.949 20 0 BDADHO COC[C@H](NCC1C[NH2+]C1)C1CCCC1 ZINC000423300953 387131974 /nfs/dbraw/zinc/13/19/74/387131974.db2.gz GFYUFJSQGFFSHT-LBPRGKRZSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@H]([NH2+]CC1CNC1)C1CCCC1 ZINC000423300953 387131981 /nfs/dbraw/zinc/13/19/81/387131981.db2.gz GFYUFJSQGFFSHT-LBPRGKRZSA-N 1 3 212.337 1.001 20 0 BDADHO CC(C)(C)[C@H]1C[C@@H]([NH2+]C2CCNCC2)CCO1 ZINC000335026349 387118474 /nfs/dbraw/zinc/11/84/74/387118474.db2.gz MOGAUUDWDIIJAZ-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CNC1 ZINC000423301002 387132177 /nfs/dbraw/zinc/13/21/77/387132177.db2.gz GNHLAMLTRSZOFU-YNEHKIRRSA-N 1 3 236.359 1.143 20 0 BDADHO C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423301002 387132182 /nfs/dbraw/zinc/13/21/82/387132182.db2.gz GNHLAMLTRSZOFU-YNEHKIRRSA-N 1 3 236.359 1.143 20 0 BDADHO CC(C)N(CCO)CCC[NH+]1CCCCC1 ZINC000188974093 387122853 /nfs/dbraw/zinc/12/28/53/387122853.db2.gz QIUWZHVBUSSFRV-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO COc1ccc(CC[C@@H](C)[NH2+]CC2CNC2)cc1 ZINC000423307699 387142691 /nfs/dbraw/zinc/14/26/91/387142691.db2.gz WLJLHBQPFKJNEZ-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO COc1ccc(CC[C@@H](C)NCC2C[NH2+]C2)cc1 ZINC000423307699 387142696 /nfs/dbraw/zinc/14/26/96/387142696.db2.gz WLJLHBQPFKJNEZ-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CCCc2ccc(O)cc21 ZINC000423307353 387142815 /nfs/dbraw/zinc/14/28/15/387142815.db2.gz MZIYNYPJMBIYIE-QMTHXVAHSA-N 1 3 234.343 1.954 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](C)CN ZINC000423307192 387144296 /nfs/dbraw/zinc/14/42/96/387144296.db2.gz MWGKRMUKJHAUCD-NWDGAFQWSA-N 1 3 224.352 1.092 20 0 BDADHO C[C@@H](CCc1ccsc1)NCC1C[NH2+]C1 ZINC000423309340 387146276 /nfs/dbraw/zinc/14/62/76/387146276.db2.gz ZDRSLWZTCYJYAR-JTQLQIEISA-N 1 3 224.373 1.878 20 0 BDADHO C[C@@H](CCc1ccsc1)[NH2+]CC1CNC1 ZINC000423309340 387146282 /nfs/dbraw/zinc/14/62/82/387146282.db2.gz ZDRSLWZTCYJYAR-JTQLQIEISA-N 1 3 224.373 1.878 20 0 BDADHO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423311868 387148179 /nfs/dbraw/zinc/14/81/79/387148179.db2.gz UOBNRGRFGKRVSI-GRYCIOLGSA-N 1 3 228.380 1.763 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000423311870 387148661 /nfs/dbraw/zinc/14/86/61/387148661.db2.gz UOBNRGRFGKRVSI-UTUOFQBUSA-N 1 3 228.380 1.763 20 0 BDADHO CCC1(CC)[C@H](NC[C@H]([NH3+])C2CC2)C[C@H]1OC ZINC000423314786 387153634 /nfs/dbraw/zinc/15/36/34/387153634.db2.gz HUYCKKRQQMZZMS-YNEHKIRRSA-N 1 3 240.391 1.907 20 0 BDADHO CC(=O)Nc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423314371 387155087 /nfs/dbraw/zinc/15/50/87/387155087.db2.gz YKBGVGUHMKRDSN-MNOVXSKESA-N 1 3 249.358 1.890 20 0 BDADHO CC1(C)[C@H](NCC2([NH3+])CCC2)[C@H]2CCCO[C@H]21 ZINC000423315948 387157642 /nfs/dbraw/zinc/15/76/42/387157642.db2.gz BHSHXVRINXLDOX-IJLUTSLNSA-N 1 3 238.375 1.661 20 0 BDADHO CO[C@H]1C[C@@H](NCCC[NH2+]C(C)C)C12CCC2 ZINC000571789130 387172402 /nfs/dbraw/zinc/17/24/02/387172402.db2.gz MXWVSLSONAFXRM-OLZOCXBDSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1ncncc1[C@@H](C)NCC1=CC[N@H+](C)CC1 ZINC000571819723 387177538 /nfs/dbraw/zinc/17/75/38/387177538.db2.gz INLPEMMZFZMTSE-LLVKDONJSA-N 1 3 246.358 1.698 20 0 BDADHO Cc1ncncc1[C@@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000571819723 387177543 /nfs/dbraw/zinc/17/75/43/387177543.db2.gz INLPEMMZFZMTSE-LLVKDONJSA-N 1 3 246.358 1.698 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])C2CC2)C12CCC2 ZINC000423333081 387179386 /nfs/dbraw/zinc/17/93/86/387179386.db2.gz VJMKPCFTHSFYCA-RWMBFGLXSA-N 1 3 238.375 1.661 20 0 BDADHO CCO[C@H]1C[C@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000423338127 387184990 /nfs/dbraw/zinc/18/49/90/387184990.db2.gz VRIWAHKEXHUWLG-RYUDHWBXSA-N 1 3 238.375 1.805 20 0 BDADHO CC(C)[C@H](CCO)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000229622691 387186322 /nfs/dbraw/zinc/18/63/22/387186322.db2.gz SZRBZBOEGVXBAI-MJBXVCDLSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622691 387186325 /nfs/dbraw/zinc/18/63/25/387186325.db2.gz SZRBZBOEGVXBAI-MJBXVCDLSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622691 387186327 /nfs/dbraw/zinc/18/63/27/387186327.db2.gz SZRBZBOEGVXBAI-MJBXVCDLSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@H](Cn1cccn1)NC[C@H]([NH3+])C1CC1 ZINC000423338333 387187459 /nfs/dbraw/zinc/18/74/59/387187459.db2.gz YUUFLJSGGQIOAO-STQMWFEESA-N 1 3 236.363 1.235 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)NC[C@H]([NH3+])C1CC1 ZINC000423338332 387188167 /nfs/dbraw/zinc/18/81/67/387188167.db2.gz YUUFLJSGGQIOAO-QWHCGFSZSA-N 1 3 236.363 1.235 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370673765 387133876 /nfs/dbraw/zinc/13/38/76/387133876.db2.gz PORXELYCRYPVLA-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000370673765 387133878 /nfs/dbraw/zinc/13/38/78/387133878.db2.gz PORXELYCRYPVLA-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO CCCCO[C@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000423303922 387136240 /nfs/dbraw/zinc/13/62/40/387136240.db2.gz NEDGFUZMOKWCRU-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CCCCO[C@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C ZINC000423303922 387136246 /nfs/dbraw/zinc/13/62/46/387136246.db2.gz NEDGFUZMOKWCRU-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CCCCO[C@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000423303920 387136288 /nfs/dbraw/zinc/13/62/88/387136288.db2.gz NEDGFUZMOKWCRU-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO CCCCO[C@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C ZINC000423303920 387136294 /nfs/dbraw/zinc/13/62/94/387136294.db2.gz NEDGFUZMOKWCRU-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CCc2cc(F)ccc21 ZINC000423303990 387137213 /nfs/dbraw/zinc/13/72/13/387137213.db2.gz XXOXUGNWNFFJJH-NOZJJQNGSA-N 1 3 222.307 1.997 20 0 BDADHO C([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C1CNC1 ZINC000423303495 387137702 /nfs/dbraw/zinc/13/77/02/387137702.db2.gz LSQZQMKOAYXOEK-QWHCGFSZSA-N 1 3 208.349 1.764 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408938 387205896 /nfs/dbraw/zinc/20/58/96/387205896.db2.gz SXASEJPJSIIXQQ-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408938 387205898 /nfs/dbraw/zinc/20/58/98/387205898.db2.gz SXASEJPJSIIXQQ-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@@H](N[C@@H](C)C[NH3+])C1(C(=O)OC)CCC1 ZINC000423357342 387208198 /nfs/dbraw/zinc/20/81/98/387208198.db2.gz AAHITLSFRWYXAJ-VHSXEESVSA-N 1 3 228.336 1.045 20 0 BDADHO CCN1C[C@@H](C)[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423356311 387208348 /nfs/dbraw/zinc/20/83/48/387208348.db2.gz GMTFSATUTVKATG-UPJWGTAASA-N 1 3 225.380 1.058 20 0 BDADHO CCCCO[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423357344 387208452 /nfs/dbraw/zinc/20/84/52/387208452.db2.gz ABGWSNOSCURIOE-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000423356845 387208513 /nfs/dbraw/zinc/20/85/13/387208513.db2.gz HHAHSCUENOMZDC-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)CO[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423360998 387212017 /nfs/dbraw/zinc/21/20/17/387212017.db2.gz GKGVJPKEKJRYKH-TUAOUCFPSA-N 1 3 228.380 1.763 20 0 BDADHO CCOC[C@H]1CCC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423361121 387212473 /nfs/dbraw/zinc/21/24/73/387212473.db2.gz LXWDRBGYYOLSAM-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423362882 387215056 /nfs/dbraw/zinc/21/50/56/387215056.db2.gz ILNAFWKYGVYRBV-AXFHLTTASA-N 1 3 214.353 1.515 20 0 BDADHO COC[C@@H](NCC[C@H]1CCC[NH2+]1)C1CCCC1 ZINC000423368508 387221518 /nfs/dbraw/zinc/22/15/18/387221518.db2.gz RYRNJFOHLDFXDM-ZIAGYGMSSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCC12CCC2 ZINC000423369705 387222796 /nfs/dbraw/zinc/22/27/96/387222796.db2.gz SZNZXRBOPDYZIU-IJLUTSLNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC12CCC2 ZINC000423369707 387224655 /nfs/dbraw/zinc/22/46/55/387224655.db2.gz SZNZXRBOPDYZIU-WOPDTQHZSA-N 1 3 208.349 1.907 20 0 BDADHO COc1cc([C@@H](C)[NH2+][C@@H](C)CN)ccc1F ZINC000423373888 387230033 /nfs/dbraw/zinc/23/00/33/387230033.db2.gz SLNDTMGTZADDBD-DTWKUNHWSA-N 1 3 226.295 1.832 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423397618 387233146 /nfs/dbraw/zinc/23/31/46/387233146.db2.gz SRLZUOFRNJPFRM-YVECIDJPSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400848 387235262 /nfs/dbraw/zinc/23/52/62/387235262.db2.gz QKXDZTYNQIFCDV-MHDGFBEUSA-N 1 3 237.391 1.057 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CNC[C@@H]1O)C1CCCCC1 ZINC000423412100 387245558 /nfs/dbraw/zinc/24/55/58/387245558.db2.gz WCVHXMVNVNZEME-IHRRRGAJSA-N 1 3 240.391 1.515 20 0 BDADHO COC[C@@H]([NH2+]C[C@@]1(COC)CCCN1)C(C)C ZINC000423410924 387246169 /nfs/dbraw/zinc/24/61/69/387246169.db2.gz ASANTDRGZBENFR-CHWSQXEVSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)CCN1C ZINC000353632438 387246770 /nfs/dbraw/zinc/24/67/70/387246770.db2.gz UBIIFHVCKHTDTK-IJLUTSLNSA-N 1 3 248.374 1.339 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCNC[C@H]2C)CC1 ZINC000423408591 387246933 /nfs/dbraw/zinc/24/69/33/387246933.db2.gz XRZDOISRDYAFDB-RYSNWHEDSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@]1(C[NH2+]C2CC(C(C)C)C2)CCCN1 ZINC000423416523 387248410 /nfs/dbraw/zinc/24/84/10/387248410.db2.gz QVXYVQZAMLGVTD-JXQTWKCFSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)[C@@H]1C[C@H]1C ZINC000423415825 387249396 /nfs/dbraw/zinc/24/93/96/387249396.db2.gz PMPUPTOYFXXADI-MQYQWHSLSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cn[nH]c1 ZINC000285192422 387250769 /nfs/dbraw/zinc/25/07/69/387250769.db2.gz NRVOWZMMKKORGN-SNVBAGLBSA-N 1 3 220.320 1.322 20 0 BDADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cn[nH]c1 ZINC000285192422 387250773 /nfs/dbraw/zinc/25/07/73/387250773.db2.gz NRVOWZMMKKORGN-SNVBAGLBSA-N 1 3 220.320 1.322 20 0 BDADHO Cc1cncc([C@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423345214 387195625 /nfs/dbraw/zinc/19/56/25/387195625.db2.gz NTOXKDMMOOBWPB-LBPRGKRZSA-N 1 3 231.343 1.960 20 0 BDADHO CC(C)OCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571921501 387196971 /nfs/dbraw/zinc/19/69/71/387196971.db2.gz WJVLWBQZVLBNTK-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000571921501 387196979 /nfs/dbraw/zinc/19/69/79/387196979.db2.gz WJVLWBQZVLBNTK-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000571921501 387196984 /nfs/dbraw/zinc/19/69/84/387196984.db2.gz WJVLWBQZVLBNTK-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423385381 387267334 /nfs/dbraw/zinc/26/73/34/387267334.db2.gz QWGOVWQWFPHOHE-NQBHXWOUSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423385381 387267336 /nfs/dbraw/zinc/26/73/36/387267336.db2.gz QWGOVWQWFPHOHE-NQBHXWOUSA-N 1 3 222.332 1.941 20 0 BDADHO Cc1cc(N)cc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000423469333 387317618 /nfs/dbraw/zinc/31/76/18/387317618.db2.gz CAASAQXUGICNHD-QWRGUYRKSA-N 1 3 221.348 1.793 20 0 BDADHO C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H]1CCCO1 ZINC000423391158 387276563 /nfs/dbraw/zinc/27/65/63/387276563.db2.gz PKSPOKCJBYXZNT-XHDPSFHLSA-N 1 3 246.354 1.947 20 0 BDADHO CNCCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643498515 387277484 /nfs/dbraw/zinc/27/74/84/387277484.db2.gz OOFWDNXELQFKDK-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO CCNCCC[NH2+][C@H](C)CC1CCOCC1 ZINC000643498807 387277762 /nfs/dbraw/zinc/27/77/62/387277762.db2.gz BYKWQWUMDYIDRT-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1CCC[C@@H]1CCOC ZINC000423395395 387282502 /nfs/dbraw/zinc/28/25/02/387282502.db2.gz SMGUWFLZVZJPCV-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423432132 387283952 /nfs/dbraw/zinc/28/39/52/387283952.db2.gz QRQZOKPHESTWGB-STQMWFEESA-N 1 3 226.364 1.533 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@H](C)[NH3+])C12CCC2 ZINC000423440325 387289794 /nfs/dbraw/zinc/28/97/94/387289794.db2.gz IOFJPTPXTOQYQS-FIQHERPVSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423442245 387292486 /nfs/dbraw/zinc/29/24/86/387292486.db2.gz JSFPJCWXXQVSAN-VWYCJHECSA-N 1 3 222.332 1.565 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@H](CCO)c2ccccc2)C1 ZINC000514799065 387293992 /nfs/dbraw/zinc/29/39/92/387293992.db2.gz SQWYXVUCEQXAFL-SOUVJXGZSA-N 1 3 248.370 1.970 20 0 BDADHO C[N@H+](Cc1cccc(N)c1)C1CCNCC1 ZINC000336469735 387298458 /nfs/dbraw/zinc/29/84/58/387298458.db2.gz LHLSIMBKCHZLNW-UHFFFAOYSA-N 1 3 219.332 1.453 20 0 BDADHO C[N@@H+](Cc1cccc(N)c1)C1CCNCC1 ZINC000336469735 387298459 /nfs/dbraw/zinc/29/84/59/387298459.db2.gz LHLSIMBKCHZLNW-UHFFFAOYSA-N 1 3 219.332 1.453 20 0 BDADHO CC[C@H](N)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000423459407 387306859 /nfs/dbraw/zinc/30/68/59/387306859.db2.gz HYPXTPGJXTYYRI-MFKMUULPSA-N 1 3 222.332 1.567 20 0 BDADHO COC[C@H](N[C@@H](C)[C@H](C)[NH3+])C1CCCC1 ZINC000423457863 387307085 /nfs/dbraw/zinc/30/70/85/387307085.db2.gz GFXCFJLBFYJXLZ-NHCYSSNCSA-N 1 3 214.353 1.517 20 0 BDADHO CC[C@H](N)C[NH2+][C@@H](CC)c1ccncc1 ZINC000423461024 387309226 /nfs/dbraw/zinc/30/92/26/387309226.db2.gz JFWPRIOTGZOPLA-RYUDHWBXSA-N 1 3 207.321 1.860 20 0 BDADHO COCCC[C@H](C)NC[C@H]1CCCC[NH2+]1 ZINC000643501526 387355017 /nfs/dbraw/zinc/35/50/17/387355017.db2.gz JPBWDGMJHCRTMU-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO CC[C@H]([NH2+]CCCNC1CC1)[C@@H]1CCOC1 ZINC000423528006 387356545 /nfs/dbraw/zinc/35/65/45/387356545.db2.gz NHFYFNZTDGJXCB-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC)CC1 ZINC000515305617 387361566 /nfs/dbraw/zinc/36/15/66/387361566.db2.gz CEBUMBFIBUJULP-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC)CC1 ZINC000515305617 387361572 /nfs/dbraw/zinc/36/15/72/387361572.db2.gz CEBUMBFIBUJULP-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H]1CCCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000515305617 387361575 /nfs/dbraw/zinc/36/15/75/387361575.db2.gz CEBUMBFIBUJULP-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO COCCC[C@@H](C)N[C@H]1CCCC[NH2+]C1 ZINC000423543495 387367635 /nfs/dbraw/zinc/36/76/35/387367635.db2.gz BZBLBJZOQJBDMK-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CN1C1CC1 ZINC000423553661 387373836 /nfs/dbraw/zinc/37/38/36/387373836.db2.gz KQNYHZJUQCXYLN-AGIUHOORSA-N 1 3 237.391 1.343 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000336554752 387378720 /nfs/dbraw/zinc/37/87/20/387378720.db2.gz BJDRSPMXRBPURG-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000336554752 387378724 /nfs/dbraw/zinc/37/87/24/387378724.db2.gz BJDRSPMXRBPURG-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO COCC1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000423571525 387380691 /nfs/dbraw/zinc/38/06/91/387380691.db2.gz XRBAUXKVPUZGFG-JXQTWKCFSA-N 1 3 240.391 1.923 20 0 BDADHO C[N@H+](C[C@H]1CCCNC1)C1CCOCC1 ZINC000036321639 387382263 /nfs/dbraw/zinc/38/22/63/387382263.db2.gz RIZFBKGQQVYJDA-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](C[C@H]1CCCNC1)C1CCOCC1 ZINC000036321639 387382266 /nfs/dbraw/zinc/38/22/66/387382266.db2.gz RIZFBKGQQVYJDA-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](N[C@H]1CCN(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462906 387320596 /nfs/dbraw/zinc/32/05/96/387320596.db2.gz YFGKGOTXMRPPDA-FPMFFAJLSA-N 1 3 237.391 1.201 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423475183 387322135 /nfs/dbraw/zinc/32/21/35/387322135.db2.gz RSMAMGGZIVFPCY-WUHRBBMRSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000423474861 387322456 /nfs/dbraw/zinc/32/24/56/387322456.db2.gz HTRDWWIACRSSGL-HBNTYKKESA-N 1 3 247.333 1.104 20 0 BDADHO [NH3+]C[C@@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000336497888 387322870 /nfs/dbraw/zinc/32/28/70/387322870.db2.gz FURNHEFLBJTYJL-NSHDSACASA-N 1 3 231.343 1.435 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCCCO)CC1 ZINC000372951901 387335458 /nfs/dbraw/zinc/33/54/58/387335458.db2.gz GFMBHRIZQPNUJS-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCCCO)CC1 ZINC000372951901 387335464 /nfs/dbraw/zinc/33/54/64/387335464.db2.gz GFMBHRIZQPNUJS-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCCCO)CC1 ZINC000372951901 387335468 /nfs/dbraw/zinc/33/54/68/387335468.db2.gz GFMBHRIZQPNUJS-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H](C[NH3+])C1)c1ccncc1F ZINC000423500178 387340452 /nfs/dbraw/zinc/34/04/52/387340452.db2.gz IHGZHRYHYHYMRX-GARJFASQSA-N 1 3 237.322 1.999 20 0 BDADHO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521512 387353495 /nfs/dbraw/zinc/35/34/95/387353495.db2.gz QXEBFBVRBPCGOG-MNOVXSKESA-N 1 3 212.337 1.143 20 0 BDADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000423786487 387424237 /nfs/dbraw/zinc/42/42/37/387424237.db2.gz QDYDFVZROSOBCI-NSHDSACASA-N 1 3 249.358 1.590 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@@H]2CCSC2)C[NH2+]1 ZINC000306573033 387426378 /nfs/dbraw/zinc/42/63/78/387426378.db2.gz HXUZDOPKTPJPAP-VWYCJHECSA-N 1 3 214.378 1.470 20 0 BDADHO CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1O ZINC000352665062 387427466 /nfs/dbraw/zinc/42/74/66/387427466.db2.gz DEVKFXBFFCBGPE-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO C[NH2+][C@H](C)CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423626904 387390220 /nfs/dbraw/zinc/39/02/20/387390220.db2.gz HONLVGUDLPMVHM-PWSUYJOCSA-N 1 3 241.379 1.008 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCCCCO)C1 ZINC000304294970 387460103 /nfs/dbraw/zinc/46/01/03/387460103.db2.gz FGBBVTLWOPLWNN-ZDUSSCGKSA-N 1 3 228.380 1.423 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCCCCO)C1 ZINC000304294970 387460108 /nfs/dbraw/zinc/46/01/08/387460108.db2.gz FGBBVTLWOPLWNN-ZDUSSCGKSA-N 1 3 228.380 1.423 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCCCCO)C1 ZINC000304294970 387460112 /nfs/dbraw/zinc/46/01/12/387460112.db2.gz FGBBVTLWOPLWNN-ZDUSSCGKSA-N 1 3 228.380 1.423 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCCCCO)C1 ZINC000304294970 387460117 /nfs/dbraw/zinc/46/01/17/387460117.db2.gz FGBBVTLWOPLWNN-ZDUSSCGKSA-N 1 3 228.380 1.423 20 0 BDADHO Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@H]3N)cc21 ZINC000515634233 387404167 /nfs/dbraw/zinc/40/41/67/387404167.db2.gz TVBQFEMSHJDSBF-CHWSQXEVSA-N 1 3 244.342 1.543 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2COC(C)(C)C2)C1 ZINC000396846552 387500923 /nfs/dbraw/zinc/50/09/23/387500923.db2.gz HECIXRUTPKRIIL-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396846552 387500927 /nfs/dbraw/zinc/50/09/27/387500927.db2.gz HECIXRUTPKRIIL-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000396846552 387500931 /nfs/dbraw/zinc/50/09/31/387500931.db2.gz HECIXRUTPKRIIL-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO C[NH+](C)CCCN[C@@H]1COC(C)(C)C1 ZINC000396842326 387501253 /nfs/dbraw/zinc/50/12/53/387501253.db2.gz IIFWKPOMJMSWQE-JTQLQIEISA-N 1 3 200.326 1.095 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+]C2CCNCC2)C1 ZINC000643475331 387508107 /nfs/dbraw/zinc/50/81/07/387508107.db2.gz GYDFGGUQEKTDFE-RYUDHWBXSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@]1(CNC(N)=[NH2+])CCN(Cc2ccccc2)C1 ZINC000307642153 387530421 /nfs/dbraw/zinc/53/04/21/387530421.db2.gz LBQHDHFSZWFOQZ-AWEZNQCLSA-N 1 3 246.358 1.382 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470986 387477179 /nfs/dbraw/zinc/47/71/79/387477179.db2.gz DIRPBVWDSLQMJO-YIYPIFLZSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H](NCC[NH2+]C1CC1)[C@H]1CCCOC1 ZINC000643507829 387479582 /nfs/dbraw/zinc/47/95/82/387479582.db2.gz RAICIDYMSRRUNS-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)NCCC[NH2+][C@H](C)CCCCO ZINC000643508291 387489296 /nfs/dbraw/zinc/48/92/96/387489296.db2.gz FDFVQHOUNTWHIU-GFCCVEGCSA-N 1 3 216.369 1.515 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN(C)CC(F)(F)F ZINC000422704028 387619241 /nfs/dbraw/zinc/61/92/41/387619241.db2.gz JPFZNAVKJUZTSF-DTWKUNHWSA-N 1 3 241.301 1.196 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)C1CCCCC1 ZINC000422705767 387621033 /nfs/dbraw/zinc/62/10/33/387621033.db2.gz SDQXETTWEBVJGN-GMXVVIOVSA-N 1 3 228.380 1.643 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422706626 387621448 /nfs/dbraw/zinc/62/14/48/387621448.db2.gz FNPZVIMJYIDTGH-ZRUFSTJUSA-N 1 3 202.342 1.109 20 0 BDADHO CCCCNC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430579913 387629569 /nfs/dbraw/zinc/62/95/69/387629569.db2.gz GUUPOIWNIJDZHX-ZDUSSCGKSA-N 1 3 243.395 1.256 20 0 BDADHO Cn1cc(CCN[C@H]2CCCCC[C@H]2[NH3+])cn1 ZINC000422708687 387622391 /nfs/dbraw/zinc/62/23/91/387622391.db2.gz CFWFEBROOFPOKK-OLZOCXBDSA-N 1 3 236.363 1.212 20 0 BDADHO CCCCN(C)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422708809 387623283 /nfs/dbraw/zinc/62/32/83/387623283.db2.gz JKDJKQCIRVZOOD-KBPBESRZSA-N 1 3 241.423 1.839 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422708813 387623547 /nfs/dbraw/zinc/62/35/47/387623547.db2.gz JKQLLKFWCGRKJR-GRYCIOLGSA-N 1 3 214.353 1.125 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422708813 387623549 /nfs/dbraw/zinc/62/35/49/387623549.db2.gz JKQLLKFWCGRKJR-GRYCIOLGSA-N 1 3 214.353 1.125 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422708084 387623999 /nfs/dbraw/zinc/62/39/99/387623999.db2.gz BIVXBBUDJGFXOQ-VXGBXAGGSA-N 1 3 213.369 1.188 20 0 BDADHO CCC[C@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422708815 387624222 /nfs/dbraw/zinc/62/42/22/387624222.db2.gz JKQLLKFWCGRKJR-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422708815 387624224 /nfs/dbraw/zinc/62/42/24/387624224.db2.gz JKQLLKFWCGRKJR-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO CCCCN(C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422711395 387626192 /nfs/dbraw/zinc/62/61/92/387626192.db2.gz NBAPKSXJPDGYKY-CHWSQXEVSA-N 1 3 227.396 1.448 20 0 BDADHO C[C@H](NCCC[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000037713526 387566213 /nfs/dbraw/zinc/56/62/13/387566213.db2.gz NPCTYWOKASUTJS-LBPRGKRZSA-N 1 3 244.342 1.872 20 0 BDADHO CC(C)OCCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430579136 387630033 /nfs/dbraw/zinc/63/00/33/387630033.db2.gz BNWJDQBJGXJZDU-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H](NC[C@@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000422721841 387633111 /nfs/dbraw/zinc/63/31/11/387633111.db2.gz WDKOPOCBQHBDJH-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CC1 ZINC000422726321 387636203 /nfs/dbraw/zinc/63/62/03/387636203.db2.gz DOCAHCWLULISJH-ZWNOBZJWSA-N 1 3 204.317 1.697 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCSCC1 ZINC000422730871 387637930 /nfs/dbraw/zinc/63/79/30/387637930.db2.gz MPGCTIHLRBDEEA-UWVGGRQHSA-N 1 3 216.394 1.845 20 0 BDADHO CC(C)CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422733503 387641098 /nfs/dbraw/zinc/64/10/98/387641098.db2.gz QWXZRDBHEMBSDI-MELADBBJSA-N 1 3 240.391 1.779 20 0 BDADHO COCCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422734671 387643895 /nfs/dbraw/zinc/64/38/95/387643895.db2.gz UQAIJBDBHYLJTK-JSGCOSHPSA-N 1 3 236.359 1.571 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000422738684 387644569 /nfs/dbraw/zinc/64/45/69/387644569.db2.gz ZCEISWKPFUEFMC-UPJWGTAASA-N 1 3 226.364 1.391 20 0 BDADHO COc1ccc(CCC[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422744937 387648415 /nfs/dbraw/zinc/64/84/15/387648415.db2.gz WUTUIDSHXYSTNT-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO COc1ccc(CCCN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422744937 387648420 /nfs/dbraw/zinc/64/84/20/387648420.db2.gz WUTUIDSHXYSTNT-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO CC[C@H](N)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000430778203 387648774 /nfs/dbraw/zinc/64/87/74/387648774.db2.gz PLMADMFFPHWGDA-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@H](N)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000430778203 387648778 /nfs/dbraw/zinc/64/87/78/387648778.db2.gz PLMADMFFPHWGDA-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422747459 387650172 /nfs/dbraw/zinc/65/01/72/387650172.db2.gz YSMISYMCUHVGNP-YUTCNCBUSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCN(C2CC2)C1 ZINC000422747459 387650175 /nfs/dbraw/zinc/65/01/75/387650175.db2.gz YSMISYMCUHVGNP-YUTCNCBUSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCO1 ZINC000422748974 387653704 /nfs/dbraw/zinc/65/37/04/387653704.db2.gz WXQAPKIGNZUZBM-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000422748974 387653708 /nfs/dbraw/zinc/65/37/08/387653708.db2.gz WXQAPKIGNZUZBM-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H](NCCN(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422748701 387653987 /nfs/dbraw/zinc/65/39/87/387653987.db2.gz VRFPWYQMNRGFHO-STQMWFEESA-N 1 3 227.396 1.448 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000422750724 387655214 /nfs/dbraw/zinc/65/52/14/387655214.db2.gz DOGPBINQZWJKHE-STQMWFEESA-N 1 3 220.316 1.535 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1F ZINC000422749848 387655318 /nfs/dbraw/zinc/65/53/18/387655318.db2.gz BDERMMGQPWAEHT-RYUDHWBXSA-N 1 3 238.306 1.674 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCn1cnc2ccccc21 ZINC000422755273 387657914 /nfs/dbraw/zinc/65/79/14/387657914.db2.gz GOEXXAFJXAQZEN-VXGBXAGGSA-N 1 3 244.342 1.506 20 0 BDADHO CS[C@@H]1CCC[C@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422752758 387658273 /nfs/dbraw/zinc/65/82/73/387658273.db2.gz DAOKOYMNBAUWAD-ADEWGFFLSA-N 1 3 228.405 1.858 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422756869 387660692 /nfs/dbraw/zinc/66/06/92/387660692.db2.gz MATOIFNESNIGJV-GRYCIOLGSA-N 1 3 213.369 1.186 20 0 BDADHO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000422759065 387660873 /nfs/dbraw/zinc/66/08/73/387660873.db2.gz OUOZLLBIUWAUFE-UONOGXRCSA-N 1 3 234.343 1.843 20 0 BDADHO Cc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000422759061 387661805 /nfs/dbraw/zinc/66/18/05/387661805.db2.gz OUOZLLBIUWAUFE-KBPBESRZSA-N 1 3 234.343 1.843 20 0 BDADHO C[C@@H](NCCc1ccccc1F)C1C[NH2+]C1 ZINC000422761178 387663831 /nfs/dbraw/zinc/66/38/31/387663831.db2.gz LOXIMMJRPSXUDO-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO C[C@@H]([NH2+]CCc1ccccc1F)C1CNC1 ZINC000422761178 387663839 /nfs/dbraw/zinc/66/38/39/387663839.db2.gz LOXIMMJRPSXUDO-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO C[C@H](NCCc1cccs1)C1C[NH2+]C1 ZINC000422763149 387664950 /nfs/dbraw/zinc/66/49/50/387664950.db2.gz TUGHGQRTSXJBAB-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO C[C@H]([NH2+]CCc1cccs1)C1CNC1 ZINC000422763149 387664952 /nfs/dbraw/zinc/66/49/52/387664952.db2.gz TUGHGQRTSXJBAB-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO C[C@@H](CN1CCC[C@@H](C)C1)N[C@@H](C)C1C[NH2+]C1 ZINC000422769548 387667010 /nfs/dbraw/zinc/66/70/10/387667010.db2.gz VEJLPXUFSGYDJD-AGIUHOORSA-N 1 3 239.407 1.304 20 0 BDADHO CN(C)CCOCC[NH2+]C1CCC2(CC2)CC1 ZINC000362926085 387673482 /nfs/dbraw/zinc/67/34/82/387673482.db2.gz XJOZJWPHWUGKID-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780025 387676872 /nfs/dbraw/zinc/67/68/72/387676872.db2.gz JQUWIKLDBGNAIU-RAIGVLPGSA-N 1 3 238.375 1.532 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)C12CCC2 ZINC000422780025 387676878 /nfs/dbraw/zinc/67/68/78/387676878.db2.gz JQUWIKLDBGNAIU-RAIGVLPGSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000422783237 387683000 /nfs/dbraw/zinc/68/30/00/387683000.db2.gz NWSCSZMDDAZADP-KIJLLGNVSA-N 1 3 240.391 1.905 20 0 BDADHO C(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)COCC1CC1 ZINC000422783391 387684534 /nfs/dbraw/zinc/68/45/34/387684534.db2.gz KXXXAWJXUXOBGW-PBWFPOADSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccccc1 ZINC000422744017 387689138 /nfs/dbraw/zinc/68/91/38/387689138.db2.gz JONWPIXMNGEBLW-VXGBXAGGSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000422744017 387689145 /nfs/dbraw/zinc/68/91/45/387689145.db2.gz JONWPIXMNGEBLW-VXGBXAGGSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)Cc1ccccc1 ZINC000422743873 387691320 /nfs/dbraw/zinc/69/13/20/387691320.db2.gz SBJKNGHRDXAMTI-OBJOEFQTSA-N 1 3 236.359 1.305 20 0 BDADHO CC[C@H](NC1CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422792050 387693307 /nfs/dbraw/zinc/69/33/07/387693307.db2.gz WTMFODDFHIRDJU-STQMWFEESA-N 1 3 225.380 1.201 20 0 BDADHO CCN(CC)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422744850 387693398 /nfs/dbraw/zinc/69/33/98/387693398.db2.gz KYCGGKNFWUHXJS-GHMZBOCLSA-N 1 3 201.358 1.044 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861063 387744734 /nfs/dbraw/zinc/74/47/34/387744734.db2.gz IWPSFOKHDXQSHP-ZJQBRPOHSA-N 1 3 237.391 1.342 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000422861529 387745423 /nfs/dbraw/zinc/74/54/23/387745423.db2.gz OIYBONWSBPBFDO-YUTCNCBUSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCCS1 ZINC000422878478 387756503 /nfs/dbraw/zinc/75/65/03/387756503.db2.gz TWWNFQHZKKZRAG-AEJSXWLSSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCS1 ZINC000422878478 387756509 /nfs/dbraw/zinc/75/65/09/387756509.db2.gz TWWNFQHZKKZRAG-AEJSXWLSSA-N 1 3 202.367 1.597 20 0 BDADHO CC[C@@H](NCCN(CC)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422879838 387754650 /nfs/dbraw/zinc/75/46/50/387754650.db2.gz MVHBBAVTDUNEMB-KGLIPLIRSA-N 1 3 239.407 1.591 20 0 BDADHO CC(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422806258 387704508 /nfs/dbraw/zinc/70/45/08/387704508.db2.gz NESQBVUSSQOWSI-RWMBFGLXSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)C[C@H](CN[C@@H](C)C1C[NH2+]C1)N(C)C ZINC000422817386 387714048 /nfs/dbraw/zinc/71/40/48/387714048.db2.gz HMQFPQWNXHZHQT-WCQYABFASA-N 1 3 227.396 1.160 20 0 BDADHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816312 387714406 /nfs/dbraw/zinc/71/44/06/387714406.db2.gz ZLQZQZPMFRMQSN-UBHSHLNASA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCOCC1 ZINC000422816312 387714412 /nfs/dbraw/zinc/71/44/12/387714412.db2.gz ZLQZQZPMFRMQSN-UBHSHLNASA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816308 387714959 /nfs/dbraw/zinc/71/49/59/387714959.db2.gz ZLQZQZPMFRMQSN-FPMFFAJLSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCOCC1 ZINC000422816308 387714970 /nfs/dbraw/zinc/71/49/70/387714970.db2.gz ZLQZQZPMFRMQSN-FPMFFAJLSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN(C)c1ccccc1 ZINC000422814776 387715094 /nfs/dbraw/zinc/71/50/94/387715094.db2.gz WBBIPPGBKFVHAV-QWHCGFSZSA-N 1 3 235.375 1.838 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCNc1ccccn1 ZINC000422831124 387723061 /nfs/dbraw/zinc/72/30/61/387723061.db2.gz JETWGUIKDSVOFS-VXGBXAGGSA-N 1 3 236.363 1.599 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCCNc1ccccn1 ZINC000422831124 387723067 /nfs/dbraw/zinc/72/30/67/387723067.db2.gz JETWGUIKDSVOFS-VXGBXAGGSA-N 1 3 236.363 1.599 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422789776 387732632 /nfs/dbraw/zinc/73/26/32/387732632.db2.gz WYTSWMAZJQPLPX-RWMBFGLXSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422789776 387732638 /nfs/dbraw/zinc/73/26/38/387732638.db2.gz WYTSWMAZJQPLPX-RWMBFGLXSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422892039 387763752 /nfs/dbraw/zinc/76/37/52/387763752.db2.gz LWASCNCEWQBUGW-MDZLAQPJSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCOCC1 ZINC000422892039 387763757 /nfs/dbraw/zinc/76/37/57/387763757.db2.gz LWASCNCEWQBUGW-MDZLAQPJSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)O[C@H]1C[C@@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527515 387766732 /nfs/dbraw/zinc/76/67/32/387766732.db2.gz NWAGCCZMUOYEQZ-AXFHLTTASA-N 1 3 214.353 1.515 20 0 BDADHO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)N)CC2 ZINC000643528418 387768698 /nfs/dbraw/zinc/76/86/98/387768698.db2.gz IZUMROXADHZHLH-TVQRCGJNSA-N 1 3 220.316 1.619 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CNC1 ZINC000422911453 387769049 /nfs/dbraw/zinc/76/90/49/387769049.db2.gz SVSGLPZRIYXOGB-DGCLKSJQSA-N 1 3 230.355 1.914 20 0 BDADHO C[C@@H](NC[C@H]1CCc2ccccc21)C1C[NH2+]C1 ZINC000422911453 387769055 /nfs/dbraw/zinc/76/90/55/387769055.db2.gz SVSGLPZRIYXOGB-DGCLKSJQSA-N 1 3 230.355 1.914 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422921641 387775302 /nfs/dbraw/zinc/77/53/02/387775302.db2.gz OJNVIQBODHQDHY-FRRDWIJNSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000643529108 387775501 /nfs/dbraw/zinc/77/55/01/387775501.db2.gz VGPGQQPIYADCTG-ZJUUUORDSA-N 1 3 220.316 1.715 20 0 BDADHO Cc1cccc(NCC[NH2+][C@H]2CCC[C@@H]2N)n1 ZINC000422922805 387778324 /nfs/dbraw/zinc/77/83/24/387778324.db2.gz UPADZDJWWZBJSB-RYUDHWBXSA-N 1 3 234.347 1.271 20 0 BDADHO Cc1cccc(OCC[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422928204 387780474 /nfs/dbraw/zinc/78/04/74/387780474.db2.gz JMUMVJKXJPPXIS-KGLIPLIRSA-N 1 3 234.343 1.843 20 0 BDADHO CCC1(CC)[C@H](N[C@@H](C)C2C[NH2+]C2)C[C@@H]1OC ZINC000422938011 387782868 /nfs/dbraw/zinc/78/28/68/387782868.db2.gz KLXGQNUEUPTVQU-UHTWSYAYSA-N 1 3 240.391 1.778 20 0 BDADHO CCC1(CC)[C@H]([NH2+][C@@H](C)C2CNC2)C[C@@H]1OC ZINC000422938011 387782870 /nfs/dbraw/zinc/78/28/70/387782870.db2.gz KLXGQNUEUPTVQU-UHTWSYAYSA-N 1 3 240.391 1.778 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CCNCC1 ZINC000422934879 387782886 /nfs/dbraw/zinc/78/28/86/387782886.db2.gz GOQKXDNMOALMKY-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NC1CC[NH2+]CC1 ZINC000422934879 387782889 /nfs/dbraw/zinc/78/28/89/387782889.db2.gz GOQKXDNMOALMKY-QWHCGFSZSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CCCCN1 ZINC000422944569 387785052 /nfs/dbraw/zinc/78/50/52/387785052.db2.gz SJHJZITWOZNBSS-RTXFEEFZSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ccc(F)cc1 ZINC000422945028 387785697 /nfs/dbraw/zinc/78/56/97/387785697.db2.gz SZECKZUJAIQBSM-GHMZBOCLSA-N 1 3 240.322 1.920 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](CCC)N(C)C ZINC000422900912 387785756 /nfs/dbraw/zinc/78/57/56/387785756.db2.gz KHZJJHONDZPAHT-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ccc(F)cc1 ZINC000422945030 387786152 /nfs/dbraw/zinc/78/61/52/387786152.db2.gz SZECKZUJAIQBSM-QWRGUYRKSA-N 1 3 240.322 1.920 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422981813 387794627 /nfs/dbraw/zinc/79/46/27/387794627.db2.gz UMVFBJJDEWZMHG-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422981813 387794630 /nfs/dbraw/zinc/79/46/30/387794630.db2.gz UMVFBJJDEWZMHG-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO COCCC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422986846 387795741 /nfs/dbraw/zinc/79/57/41/387795741.db2.gz DLRPKLBVUKZJGY-NWDGAFQWSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)CCCO ZINC000422989458 387797559 /nfs/dbraw/zinc/79/75/59/387797559.db2.gz LWGSGAPOYPQTGE-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422990973 387800268 /nfs/dbraw/zinc/80/02/68/387800268.db2.gz OVOHPDPJBYVIAW-XQHKEYJVSA-N 1 3 225.380 1.044 20 0 BDADHO CCOc1cccc(CCN[C@H](C)C2C[NH2+]C2)c1 ZINC000422992446 387800717 /nfs/dbraw/zinc/80/07/17/387800717.db2.gz CJPJCFQQZMBYBY-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO CCOc1cccc(CC[NH2+][C@H](C)C2CNC2)c1 ZINC000422992446 387800719 /nfs/dbraw/zinc/80/07/19/387800719.db2.gz CJPJCFQQZMBYBY-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@H](C)C1C[NH2+]C1 ZINC000423000966 387804991 /nfs/dbraw/zinc/80/49/91/387804991.db2.gz HFCNATALJZWCST-PWSUYJOCSA-N 1 3 228.380 1.227 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)C1CNC1 ZINC000423000966 387804994 /nfs/dbraw/zinc/80/49/94/387804994.db2.gz HFCNATALJZWCST-PWSUYJOCSA-N 1 3 228.380 1.227 20 0 BDADHO COc1cccc(CCC[NH2+][C@H](C)C2CNC2)c1 ZINC000422949253 387806738 /nfs/dbraw/zinc/80/67/38/387806738.db2.gz UOZCPOXYDZQZJC-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO COc1cccc(CCCN[C@H](C)C2C[NH2+]C2)c1 ZINC000422949253 387806740 /nfs/dbraw/zinc/80/67/40/387806740.db2.gz UOZCPOXYDZQZJC-GFCCVEGCSA-N 1 3 248.370 1.825 20 0 BDADHO Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1N ZINC000422949134 387806850 /nfs/dbraw/zinc/80/68/50/387806850.db2.gz SXEAOARCCSPUHE-STQMWFEESA-N 1 3 234.343 1.843 20 0 BDADHO C[NH+](C)CC1CCN(Cc2cccnc2N)CC1 ZINC000052725789 387807323 /nfs/dbraw/zinc/80/73/23/387807323.db2.gz GIFKOUIYXCYOSW-UHFFFAOYSA-N 1 3 248.374 1.437 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442603007 387807826 /nfs/dbraw/zinc/80/78/26/387807826.db2.gz JOYDQIZOSOJPLL-VXGBXAGGSA-N 1 3 241.379 1.091 20 0 BDADHO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000422952485 387809786 /nfs/dbraw/zinc/80/97/86/387809786.db2.gz CNEJFMRJBOSBBG-IJLUTSLNSA-N 1 3 238.379 1.543 20 0 BDADHO CC(C)N(C)CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882358 387757704 /nfs/dbraw/zinc/75/77/04/387757704.db2.gz SAJBMCAMODXMOZ-FUNVUKJBSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000422883166 387758539 /nfs/dbraw/zinc/75/85/39/387758539.db2.gz BSQBQSWXOTWFGM-NWBUJAPZSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H](NC[C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885827 387759474 /nfs/dbraw/zinc/75/94/74/387759474.db2.gz HGVHOOJLPGINFJ-RYUDHWBXSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CNC1 ZINC000422885827 387759481 /nfs/dbraw/zinc/75/94/81/387759481.db2.gz HGVHOOJLPGINFJ-RYUDHWBXSA-N 1 3 246.354 1.750 20 0 BDADHO COCCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCC1 ZINC000422887952 387761358 /nfs/dbraw/zinc/76/13/58/387761358.db2.gz LUOVBETXPCDZCK-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)N[C@H](C)CCO ZINC000422973978 387824113 /nfs/dbraw/zinc/82/41/13/387824113.db2.gz DBICFAUDRQBHGF-BZPMIXESSA-N 1 3 236.359 1.305 20 0 BDADHO c1ccc([C@@H]2C[C@H](N[C@H]3CCOC3)CC[NH2+]2)cc1 ZINC000423003222 387826219 /nfs/dbraw/zinc/82/62/19/387826219.db2.gz LCIOSKFRADALRD-ILXRZTDVSA-N 1 3 246.354 1.858 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423006830 387829175 /nfs/dbraw/zinc/82/91/75/387829175.db2.gz WNNLXXSKKAEIAU-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO CCOCCC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000423008038 387831336 /nfs/dbraw/zinc/83/13/36/387831336.db2.gz ZDZZRUGIUYWQBN-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNc1ccccn1 ZINC000423008183 387831567 /nfs/dbraw/zinc/83/15/67/387831567.db2.gz SNTHHFVTNLSRML-CHWSQXEVSA-N 1 3 248.374 1.471 20 0 BDADHO CCC[C@@H](CCO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423008522 387832205 /nfs/dbraw/zinc/83/22/05/387832205.db2.gz SWYAAAPNFIXKBN-IHRRRGAJSA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000423011196 387833732 /nfs/dbraw/zinc/83/37/32/387833732.db2.gz APROJLBOGHVRNY-AVGNSLFASA-N 1 3 240.391 1.501 20 0 BDADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC000643479109 387834566 /nfs/dbraw/zinc/83/45/66/387834566.db2.gz RAILPWMEATYOJL-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@H]1CCCCO1 ZINC000643479109 387834570 /nfs/dbraw/zinc/83/45/70/387834570.db2.gz RAILPWMEATYOJL-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](CO)CCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423015793 387838301 /nfs/dbraw/zinc/83/83/01/387838301.db2.gz RTIQGVUEINFNPF-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@H]1CCCO1 ZINC000643459656 387848839 /nfs/dbraw/zinc/84/88/39/387848839.db2.gz LMWZHLLJFVNWNU-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](N[C@H]1CCCN(C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032731 387849664 /nfs/dbraw/zinc/84/96/64/387849664.db2.gz NBGCKNMQVKTMKI-LOWDOPEQSA-N 1 3 225.380 1.199 20 0 BDADHO CC(C)OCCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000423036253 387851117 /nfs/dbraw/zinc/85/11/17/387851117.db2.gz SVHBYSDHGSQYBQ-VXGBXAGGSA-N 1 3 216.369 1.907 20 0 BDADHO CCC(CC)(CN[C@H](C)C1C[NH2+]C1)C(=O)OC ZINC000423034877 387851855 /nfs/dbraw/zinc/85/18/55/387851855.db2.gz IRJWAGMBGJPJJI-SNVBAGLBSA-N 1 3 242.363 1.163 20 0 BDADHO CCC(CC)(C[NH2+][C@H](C)C1CNC1)C(=O)OC ZINC000423034877 387851862 /nfs/dbraw/zinc/85/18/62/387851862.db2.gz IRJWAGMBGJPJJI-SNVBAGLBSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](CO)Cc1ccccc1 ZINC000423047503 387858019 /nfs/dbraw/zinc/85/80/19/387858019.db2.gz GGZRUESVYYMBOJ-OUCADQQQSA-N 1 3 236.359 1.305 20 0 BDADHO CCn1cc([C@H](C)N[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534807 387860644 /nfs/dbraw/zinc/86/06/44/387860644.db2.gz DALJZUOOVJFSEC-WCQYABFASA-N 1 3 248.374 1.696 20 0 BDADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCNCC2)C1(C)C ZINC000423053971 387862803 /nfs/dbraw/zinc/86/28/03/387862803.db2.gz TZCVTJZCWPPDLH-CHWSQXEVSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NC2CC[NH2+]CC2)C1(C)C ZINC000423053971 387862808 /nfs/dbraw/zinc/86/28/08/387862808.db2.gz TZCVTJZCWPPDLH-CHWSQXEVSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060343 387864448 /nfs/dbraw/zinc/86/44/48/387864448.db2.gz HVOLBTJFLHMPTI-FQUUOJAGSA-N 1 3 240.391 1.658 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000423070837 387871380 /nfs/dbraw/zinc/87/13/80/387871380.db2.gz DPEJVEBMGBJGEA-MJBXVCDLSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCCN1C1CC1 ZINC000423070837 387871382 /nfs/dbraw/zinc/87/13/82/387871382.db2.gz DPEJVEBMGBJGEA-MJBXVCDLSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)CO ZINC000422966451 387816557 /nfs/dbraw/zinc/81/65/57/387816557.db2.gz ACBVTKIODDVOTQ-OBJOEFQTSA-N 1 3 236.359 1.163 20 0 BDADHO C[C@H](N)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663172 387817932 /nfs/dbraw/zinc/81/79/32/387817932.db2.gz IZGKWEQLWLYUMH-ZFWWWQNUSA-N 1 3 247.386 1.934 20 0 BDADHO C[C@H](N)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663172 387817936 /nfs/dbraw/zinc/81/79/36/387817936.db2.gz IZGKWEQLWLYUMH-ZFWWWQNUSA-N 1 3 247.386 1.934 20 0 BDADHO CCSCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423102889 387889657 /nfs/dbraw/zinc/88/96/57/387889657.db2.gz AGEMRSLMHZAMBN-WDEREUQCSA-N 1 3 216.394 1.717 20 0 BDADHO C[C@@H](NC[C@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105381 387890385 /nfs/dbraw/zinc/89/03/85/387890385.db2.gz IIWJBYHCRASBLV-SYQHCUMBSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H](NC[C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423109694 387894016 /nfs/dbraw/zinc/89/40/16/387894016.db2.gz NZXIYQRIBCLMJB-NDBYEHHHSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCCN1 ZINC000423109694 387894019 /nfs/dbraw/zinc/89/40/19/387894019.db2.gz NZXIYQRIBCLMJB-NDBYEHHHSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H](NC[C@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109687 387894299 /nfs/dbraw/zinc/89/42/99/387894299.db2.gz NZXIYQRIBCLMJB-FDYHWXHSSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCOC[C@H]1C)[C@H]1CCCN1 ZINC000423109687 387894303 /nfs/dbraw/zinc/89/43/03/387894303.db2.gz NZXIYQRIBCLMJB-FDYHWXHSSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@](CO)(C[NH2+]C1CCNCC1)c1ccccc1 ZINC000423112268 387895797 /nfs/dbraw/zinc/89/57/97/387895797.db2.gz RXHUMJOGGZSZJT-HNNXBMFYSA-N 1 3 248.370 1.278 20 0 BDADHO CCOC[C@@H](N[C@H](C)C1C[NH2+]C1)C(C)C ZINC000423074064 387875133 /nfs/dbraw/zinc/87/51/33/387875133.db2.gz TVGSSFQMPUAVRL-ZYHUDNBSSA-N 1 3 214.353 1.245 20 0 BDADHO CCOC[C@@H]([NH2+][C@H](C)C1CNC1)C(C)C ZINC000423074064 387875139 /nfs/dbraw/zinc/87/51/39/387875139.db2.gz TVGSSFQMPUAVRL-ZYHUDNBSSA-N 1 3 214.353 1.245 20 0 BDADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460219 387875369 /nfs/dbraw/zinc/87/53/69/387875369.db2.gz CLRAPLOSYCZCHK-GXTWGEPZSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCCNCC1)c1ccncc1 ZINC000643460219 387875373 /nfs/dbraw/zinc/87/53/73/387875373.db2.gz CLRAPLOSYCZCHK-GXTWGEPZSA-N 1 3 233.359 1.917 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236161798 387875938 /nfs/dbraw/zinc/87/59/38/387875938.db2.gz XOZRTNPTHUQSGS-UKRRQHHQSA-N 1 3 230.355 1.871 20 0 BDADHO CC[C@H](NC[C@H]1CCSC1)[C@@H]1CCC[NH2+]1 ZINC000423084807 387878363 /nfs/dbraw/zinc/87/83/63/387878363.db2.gz IZCZVYVLYZQVSZ-WOPDTQHZSA-N 1 3 228.405 1.860 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCCCC[C@H]1N ZINC000423082935 387879577 /nfs/dbraw/zinc/87/95/77/387879577.db2.gz FHGUHLBZIBCYAX-MCIONIFRSA-N 1 3 241.423 1.966 20 0 BDADHO Cc1csc(CCN[C@H](C)C[C@H](C)[NH3+])n1 ZINC000643460674 387885768 /nfs/dbraw/zinc/88/57/68/387885768.db2.gz CLQXORAIXOIFIK-DTWKUNHWSA-N 1 3 227.377 1.709 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423099072 387887855 /nfs/dbraw/zinc/88/78/55/387887855.db2.gz AFSNDRDZKDGFSE-YUMQZZPRSA-N 1 3 222.254 1.798 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000236795927 387904105 /nfs/dbraw/zinc/90/41/05/387904105.db2.gz YCKXNXADMVXWGX-LBPRGKRZSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000236795927 387904108 /nfs/dbraw/zinc/90/41/08/387904108.db2.gz YCKXNXADMVXWGX-LBPRGKRZSA-N 1 3 243.395 1.350 20 0 BDADHO Cc1nccnc1CC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000423132003 387909041 /nfs/dbraw/zinc/90/90/41/387909041.db2.gz IOWIQVLUFNCWCH-YPMHNXCESA-N 1 3 248.374 1.448 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)C1CNC1 ZINC000423132419 387910450 /nfs/dbraw/zinc/91/04/50/387910450.db2.gz JGCMRKKTONZDIZ-RISCZKNCSA-N 1 3 240.391 1.373 20 0 BDADHO C[C@@H](NC[C@@H](CO)C1CCCCC1)C1C[NH2+]C1 ZINC000423132419 387910456 /nfs/dbraw/zinc/91/04/56/387910456.db2.gz JGCMRKKTONZDIZ-RISCZKNCSA-N 1 3 240.391 1.373 20 0 BDADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)OC ZINC000423133825 387912399 /nfs/dbraw/zinc/91/23/99/387912399.db2.gz DDAXNKAQAWMBJM-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)OC ZINC000423133825 387912401 /nfs/dbraw/zinc/91/24/01/387912401.db2.gz DDAXNKAQAWMBJM-QJPTWQEYSA-N 1 3 214.353 1.389 20 0 BDADHO COc1ncccc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423139030 387916979 /nfs/dbraw/zinc/91/69/79/387916979.db2.gz JZWXPBDPEXRWAH-MNOVXSKESA-N 1 3 237.347 1.348 20 0 BDADHO COc1ncccc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423139030 387916983 /nfs/dbraw/zinc/91/69/83/387916983.db2.gz JZWXPBDPEXRWAH-MNOVXSKESA-N 1 3 237.347 1.348 20 0 BDADHO COc1nccc(CN[C@@H](C)CCCC[NH3+])n1 ZINC000423151078 387929471 /nfs/dbraw/zinc/92/94/71/387929471.db2.gz ZTJYFMGIXNNXNG-JTQLQIEISA-N 1 3 238.335 1.092 20 0 BDADHO Cc1cccnc1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423151324 387930680 /nfs/dbraw/zinc/93/06/80/387930680.db2.gz JUXFHOYPGMTSTR-ZIAGYGMSSA-N 1 3 247.386 1.910 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423157621 387937061 /nfs/dbraw/zinc/93/70/61/387937061.db2.gz BHGFTUDYXOHAKT-WYUUTHIRSA-N 1 3 212.337 1.271 20 0 BDADHO COC[C@](C)(O)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423147948 387924348 /nfs/dbraw/zinc/92/43/48/387924348.db2.gz UCWWMTAPCFJLDG-RWMBFGLXSA-N 1 3 244.379 1.024 20 0 BDADHO Cc1cccnc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423146861 387925297 /nfs/dbraw/zinc/92/52/97/387925297.db2.gz BJVWHPPRDFEUMF-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccnc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423146861 387925303 /nfs/dbraw/zinc/92/53/03/387925303.db2.gz BJVWHPPRDFEUMF-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H](N[C@@H](C)CCCCO)[C@H]1CCCC[NH2+]1 ZINC000423149247 387927087 /nfs/dbraw/zinc/92/70/87/387927087.db2.gz AENNAGVZJURPFX-YNEHKIRRSA-N 1 3 228.380 1.658 20 0 BDADHO C[C@@H](CCO)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148597 387927242 /nfs/dbraw/zinc/92/72/42/387927242.db2.gz WBZVPNXYIDESPT-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](CCO)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423148596 387928548 /nfs/dbraw/zinc/92/85/48/387928548.db2.gz WBZVPNXYIDESPT-FRRDWIJNSA-N 1 3 228.380 1.515 20 0 BDADHO COc1cccc2c1C[C@@H](N[C@@H](C)C1C[NH2+]C1)C2 ZINC000423167421 387952352 /nfs/dbraw/zinc/95/23/52/387952352.db2.gz FDDPIVZZRDWGQE-GWCFXTLKSA-N 1 3 246.354 1.360 20 0 BDADHO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)C1CNC1)C2 ZINC000423167421 387952355 /nfs/dbraw/zinc/95/23/55/387952355.db2.gz FDDPIVZZRDWGQE-GWCFXTLKSA-N 1 3 246.354 1.360 20 0 BDADHO Cc1occc1CNCCOCC[NH+](C)C ZINC000321178703 387956213 /nfs/dbraw/zinc/95/62/13/387956213.db2.gz DMVLQSKYPSGMTK-UHFFFAOYSA-N 1 3 226.320 1.256 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CC=CCC1 ZINC000392241312 387946131 /nfs/dbraw/zinc/94/61/31/387946131.db2.gz KLSKHFSDKFFDCE-KBPBESRZSA-N 1 3 237.391 1.355 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392241312 387946133 /nfs/dbraw/zinc/94/61/33/387946133.db2.gz KLSKHFSDKFFDCE-KBPBESRZSA-N 1 3 237.391 1.355 20 0 BDADHO CO[C@@H]([C@H](C)N[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000423163947 387946443 /nfs/dbraw/zinc/94/64/43/387946443.db2.gz RVZPCVWZTHHEBS-WYFGTUCQSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@@H](CCCO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423165998 387949394 /nfs/dbraw/zinc/94/93/94/387949394.db2.gz YSWSZXKZAQTCKQ-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)[C@H](C)O1 ZINC000423178253 387963399 /nfs/dbraw/zinc/96/33/99/387963399.db2.gz IFODFJFSKHUZAQ-RKQHYHRCSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H]([NH2+]CCN)c1ccccc1N(C)C ZINC000423179162 387966601 /nfs/dbraw/zinc/96/66/01/387966601.db2.gz HGRSRNOZPXTRIO-SNVBAGLBSA-N 1 3 207.321 1.362 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCCOC1 ZINC000245624861 387967182 /nfs/dbraw/zinc/96/71/82/387967182.db2.gz OQRWKVHAZRFHTH-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCCOC1 ZINC000245624861 387967183 /nfs/dbraw/zinc/96/71/83/387967183.db2.gz OQRWKVHAZRFHTH-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1cccc2c1CC[C@@H]2NCCC[NH3+] ZINC000423186749 387970698 /nfs/dbraw/zinc/97/06/98/387970698.db2.gz XDNQGOFOUPFQOT-ZDUSSCGKSA-N 1 3 204.317 1.921 20 0 BDADHO COCC[C@@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171409 387957411 /nfs/dbraw/zinc/95/74/11/387957411.db2.gz OITYWNWIDJJVBT-UPJWGTAASA-N 1 3 228.380 1.779 20 0 BDADHO CC(=O)Nc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000423194831 387980307 /nfs/dbraw/zinc/98/03/07/387980307.db2.gz RTPZOTGKAZRBKG-JTQLQIEISA-N 1 3 235.331 1.644 20 0 BDADHO COc1cccc(C[C@@H]([NH2+]CCCN)C2CC2)c1 ZINC000423189137 387973881 /nfs/dbraw/zinc/97/38/81/387973881.db2.gz MLUVLNRLGLMTGG-OAHLLOKOSA-N 1 3 248.370 1.955 20 0 BDADHO C[C@@H](NCCC[NH3+])c1ccccc1-n1ccnn1 ZINC000423191146 387975926 /nfs/dbraw/zinc/97/59/26/387975926.db2.gz OLOBUCRRGHGXSH-LLVKDONJSA-N 1 3 245.330 1.267 20 0 BDADHO CCCCO[C@H]1C[C@H](NCC[NH3+])C1(C)C ZINC000423192001 387978143 /nfs/dbraw/zinc/97/81/43/387978143.db2.gz UZDWNJPHHNVZJI-QWRGUYRKSA-N 1 3 214.353 1.519 20 0 BDADHO COCCCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000420406772 387999341 /nfs/dbraw/zinc/99/93/41/387999341.db2.gz NZAONISLAMLHRK-QWHCGFSZSA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000420406772 387999343 /nfs/dbraw/zinc/99/93/43/387999343.db2.gz NZAONISLAMLHRK-QWHCGFSZSA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420406772 387999345 /nfs/dbraw/zinc/99/93/45/387999345.db2.gz NZAONISLAMLHRK-QWHCGFSZSA-N 1 3 228.380 1.720 20 0 BDADHO C[C@H](NC[C@@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241591 388025026 /nfs/dbraw/zinc/02/50/26/388025026.db2.gz DHXWAKYHQVPOKZ-YUTCNCBUSA-N 1 3 233.359 1.417 20 0 BDADHO C[C@@H](Cc1ccoc1)[NH2+]CCOCCN(C)C ZINC000453209937 388012014 /nfs/dbraw/zinc/01/20/14/388012014.db2.gz CPPXTONMQRKSOR-LBPRGKRZSA-N 1 3 240.347 1.378 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H](COC)C1CCCC1 ZINC000423269936 388025959 /nfs/dbraw/zinc/02/59/59/388025959.db2.gz HKALGWFXLHNUSM-AAEUAGOBSA-N 1 3 228.380 1.637 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](COC)C1CCCC1 ZINC000423269936 388025963 /nfs/dbraw/zinc/02/59/63/388025963.db2.gz HKALGWFXLHNUSM-AAEUAGOBSA-N 1 3 228.380 1.637 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H](COC)C1CCCC1 ZINC000423269939 388025971 /nfs/dbraw/zinc/02/59/71/388025971.db2.gz HKALGWFXLHNUSM-YPMHNXCESA-N 1 3 228.380 1.637 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H](COC)C1CCCC1 ZINC000423269939 388025973 /nfs/dbraw/zinc/02/59/73/388025973.db2.gz HKALGWFXLHNUSM-YPMHNXCESA-N 1 3 228.380 1.637 20 0 BDADHO CCN1C[C@H]([NH2+][C@H](CN)CC(C)C)[C@@H](C)C1 ZINC000423265355 388044578 /nfs/dbraw/zinc/04/45/78/388044578.db2.gz QVGYGPYEOYFBRB-AVGNSLFASA-N 1 3 227.396 1.290 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000423262767 388040833 /nfs/dbraw/zinc/04/08/33/388040833.db2.gz NKKMVVKNSMHKLY-ZYHUDNBSSA-N 1 3 238.379 1.753 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000423266173 388043739 /nfs/dbraw/zinc/04/37/39/388043739.db2.gz CYJIOESYAFTMEY-NNYUYHANSA-N 1 3 228.380 1.491 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000423266173 388043740 /nfs/dbraw/zinc/04/37/40/388043740.db2.gz CYJIOESYAFTMEY-NNYUYHANSA-N 1 3 228.380 1.491 20 0 BDADHO C[C@H](NC[C@@H](N)c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423244548 388028682 /nfs/dbraw/zinc/02/86/82/388028682.db2.gz HRSQNVZJZVXTPU-NWANDNLSSA-N 1 3 247.386 1.807 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCN1)C1CCSCC1 ZINC000423246342 388029796 /nfs/dbraw/zinc/02/97/96/388029796.db2.gz ZENHJMQWNAJABX-JQWIXIFHSA-N 1 3 228.405 1.860 20 0 BDADHO [NH3+]C[C@H](N[C@@H]1CCc2ccccc2OC1)C1CC1 ZINC000423274962 388054462 /nfs/dbraw/zinc/05/44/62/388054462.db2.gz KZPNUXVGFQMURN-KGLIPLIRSA-N 1 3 246.354 1.707 20 0 BDADHO CC[C@H](NCC(C)(C)[NH3+])C1(C(=O)OC)CCC1 ZINC000423281478 388063537 /nfs/dbraw/zinc/06/35/37/388063537.db2.gz BJVAUIUXBIIEED-JTQLQIEISA-N 1 3 242.363 1.435 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423284822 388069794 /nfs/dbraw/zinc/06/97/94/388069794.db2.gz YQGOBICJZMKQDW-GMXVVIOVSA-N 1 3 225.380 1.185 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423286510 388071497 /nfs/dbraw/zinc/07/14/97/388071497.db2.gz HSDDCLGMABBFFB-VXGBXAGGSA-N 1 3 239.407 1.719 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423286510 388071499 /nfs/dbraw/zinc/07/14/99/388071499.db2.gz HSDDCLGMABBFFB-VXGBXAGGSA-N 1 3 239.407 1.719 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084215793 388073328 /nfs/dbraw/zinc/07/33/28/388073328.db2.gz OFTVTCAOYWIPSP-CHWSQXEVSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCOC1CCCC1 ZINC000084222065 388075596 /nfs/dbraw/zinc/07/55/96/388075596.db2.gz NIHQFJTZPGDDDD-DGCLKSJQSA-N 1 3 226.364 1.663 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000084222065 388075601 /nfs/dbraw/zinc/07/56/01/388075601.db2.gz NIHQFJTZPGDDDD-DGCLKSJQSA-N 1 3 226.364 1.663 20 0 BDADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1cccnc1 ZINC000084384801 388078284 /nfs/dbraw/zinc/07/82/84/388078284.db2.gz SGFZKZTTYRNPHV-LBPRGKRZSA-N 1 3 219.332 1.513 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](C)[C@H](C)OC ZINC000423298335 388079803 /nfs/dbraw/zinc/07/98/03/388079803.db2.gz OCCOFGMYWXOACU-OUAUKWLOSA-N 1 3 202.342 1.517 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000423297957 388080100 /nfs/dbraw/zinc/08/01/00/388080100.db2.gz MNZTUHFRTUXDCD-UPJWGTAASA-N 1 3 227.396 1.434 20 0 BDADHO CC(C)OCCCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495176 388103950 /nfs/dbraw/zinc/10/39/50/388103950.db2.gz YKBLRDCPEFMJQT-CHWSQXEVSA-N 1 3 228.380 1.922 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@@H]1CN(C)C[C@H]1C ZINC000336661605 388107095 /nfs/dbraw/zinc/10/70/95/388107095.db2.gz KCLCRAHUDNXKQB-CHWSQXEVSA-N 1 3 227.396 1.256 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@@H]1CN(C)C[C@H]1C ZINC000336661605 388107099 /nfs/dbraw/zinc/10/70/99/388107099.db2.gz KCLCRAHUDNXKQB-CHWSQXEVSA-N 1 3 227.396 1.256 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000423271662 388050716 /nfs/dbraw/zinc/05/07/16/388050716.db2.gz JFDFSYAEZSSCOC-MNOVXSKESA-N 1 3 230.421 1.963 20 0 BDADHO CC[C@@H](CO)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000163989744 388120447 /nfs/dbraw/zinc/12/04/47/388120447.db2.gz DTQVZKCLGPXXKM-BIMULSAOSA-N 1 3 220.316 1.492 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000233782174 388349365 /nfs/dbraw/zinc/34/93/65/388349365.db2.gz JUEMYVUTQZZUES-AEJSXWLSSA-N 1 3 200.326 1.127 20 0 BDADHO CSC1(C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCC1 ZINC000304263560 388357291 /nfs/dbraw/zinc/35/72/91/388357291.db2.gz JMQZRZGDWXMRDA-NWDGAFQWSA-N 1 3 240.416 1.956 20 0 BDADHO CSC1(C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCC1 ZINC000304263560 388357294 /nfs/dbraw/zinc/35/72/94/388357294.db2.gz JMQZRZGDWXMRDA-NWDGAFQWSA-N 1 3 240.416 1.956 20 0 BDADHO C[C@H](C[NH2+][C@H](C)c1cccnc1)CN(C)C ZINC000293655456 388357300 /nfs/dbraw/zinc/35/73/00/388357300.db2.gz LPDJUKIMZNZKFJ-VXGBXAGGSA-N 1 3 221.348 1.930 20 0 BDADHO C[NH2+]CCCC(=O)Nc1cccc(CN)c1 ZINC000646578813 388388288 /nfs/dbraw/zinc/38/82/88/388388288.db2.gz GFWDIFWXMCSYOQ-UHFFFAOYSA-N 1 3 221.304 1.083 20 0 BDADHO C[C@H]([NH3+])CCC(=O)Nc1cccc(CN)c1 ZINC000646578832 388388970 /nfs/dbraw/zinc/38/89/70/388388970.db2.gz GZLAPCAFTGBFBF-VIFPVBQESA-N 1 3 221.304 1.211 20 0 BDADHO CC(C)[C@H](C(=O)Nc1cccc(CN)c1)[C@H](C)[NH3+] ZINC000646579686 388389135 /nfs/dbraw/zinc/38/91/35/388389135.db2.gz MUZRBUODQYKQBY-GWCFXTLKSA-N 1 3 249.358 1.703 20 0 BDADHO NCc1cccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000646578794 388389177 /nfs/dbraw/zinc/38/91/77/388389177.db2.gz FHQQZNXKGHEHHO-TZMCWYRMSA-N 1 3 245.326 1.083 20 0 BDADHO C[NH2+]C[C@H](C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000237123499 388390085 /nfs/dbraw/zinc/39/00/85/388390085.db2.gz UCGHNQIYDJVCKQ-WCQYABFASA-N 1 3 249.358 1.048 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CO[C@H](C)C2)CC1 ZINC000335426466 388449874 /nfs/dbraw/zinc/44/98/74/388449874.db2.gz WGXTVWAALREZMZ-YPMHNXCESA-N 1 3 226.364 1.626 20 0 BDADHO C(N1C[C@@H]2C[NH2+]C[C@H]2C1)C12CCC(CC1)C2 ZINC000649253092 388470242 /nfs/dbraw/zinc/47/02/42/388470242.db2.gz HYCASZSEYRJFDZ-QPPOZKHWSA-N 1 3 220.360 1.718 20 0 BDADHO CC(C)[NH+]1CCC(NCCc2cnccn2)CC1 ZINC000341347682 388495578 /nfs/dbraw/zinc/49/55/78/388495578.db2.gz MKEMVYKSFQOCSY-UHFFFAOYSA-N 1 3 248.374 1.482 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000520838200 256814968 /nfs/dbraw/zinc/81/49/68/256814968.db2.gz SWYVQKRQCYSHFQ-IHRRRGAJSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccccn1 ZINC000346981993 388522054 /nfs/dbraw/zinc/52/20/54/388522054.db2.gz MBOFANROWGPQQE-GFCCVEGCSA-N 1 3 249.358 1.189 20 0 BDADHO C[NH+](C)CCCN[C@H]1CCOC1(C)C ZINC000328208113 388586678 /nfs/dbraw/zinc/58/66/78/388586678.db2.gz IVPFELKQNQFXBX-JTQLQIEISA-N 1 3 200.326 1.095 20 0 BDADHO C[C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CO1 ZINC000517566136 388553282 /nfs/dbraw/zinc/55/32/82/388553282.db2.gz NXYTWKRJTGMFEF-RISCZKNCSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C(C)C ZINC000362976516 388563028 /nfs/dbraw/zinc/56/30/28/388563028.db2.gz KTBUXGCTHGMEDO-GRYCIOLGSA-N 1 3 214.353 1.374 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@H]1C[C@@H](C)O ZINC000191815716 388670103 /nfs/dbraw/zinc/67/01/03/388670103.db2.gz WXRMCCXGSCPLEA-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000191815716 388670104 /nfs/dbraw/zinc/67/01/04/388670104.db2.gz WXRMCCXGSCPLEA-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000191815716 388670105 /nfs/dbraw/zinc/67/01/05/388670105.db2.gz WXRMCCXGSCPLEA-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+](C)CCCC(=O)NC ZINC000191815948 388670583 /nfs/dbraw/zinc/67/05/83/388670583.db2.gz ZDXXLUBCFIJPJP-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CCCC(=O)NC ZINC000191815948 388670585 /nfs/dbraw/zinc/67/05/85/388670585.db2.gz ZDXXLUBCFIJPJP-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000191816603 388670888 /nfs/dbraw/zinc/67/08/88/388670888.db2.gz QPPZVSCGZFRGRE-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000191816603 388670891 /nfs/dbraw/zinc/67/08/91/388670891.db2.gz QPPZVSCGZFRGRE-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086402141 388686700 /nfs/dbraw/zinc/68/67/00/388686700.db2.gz AQJRTGQIYDJXMZ-WDEREUQCSA-N 1 3 200.326 1.273 20 0 BDADHO CC1(C)CC(CN2CCCO[C@@H](C[NH3+])C2)C1 ZINC000530222226 388632980 /nfs/dbraw/zinc/63/29/80/388632980.db2.gz GHAJWCHVNPYKOE-LBPRGKRZSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530227190 388635134 /nfs/dbraw/zinc/63/51/34/388635134.db2.gz VORLBKQRRTVZDV-SHSDRCNNSA-N 1 3 238.375 1.671 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@]12C[C@H]1COC2(C)C ZINC000530243225 388638301 /nfs/dbraw/zinc/63/83/01/388638301.db2.gz FZKVFLODAWQHJL-GMXVVIOVSA-N 1 3 226.364 1.517 20 0 BDADHO CCN(C)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000222833429 388645245 /nfs/dbraw/zinc/64/52/45/388645245.db2.gz HXGPRGUKLQDBHS-RYUDHWBXSA-N 1 3 213.369 1.010 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N(C)C1CC1 ZINC000246865136 388653466 /nfs/dbraw/zinc/65/34/66/388653466.db2.gz CFTNRZBZVWYNCJ-AGIUHOORSA-N 1 3 239.407 1.541 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@H]2CCOC2)[C@H](C)C1 ZINC000247269765 388661571 /nfs/dbraw/zinc/66/15/71/388661571.db2.gz ZXVVOTLLGNNSHJ-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@H]2CCOC2)[C@H](C)C1 ZINC000247269765 388661574 /nfs/dbraw/zinc/66/15/74/388661574.db2.gz ZXVVOTLLGNNSHJ-WOPDTQHZSA-N 1 3 212.337 1.095 20 0 BDADHO CC[C@@H](O)CCNC1CC[NH+](C(C)C)CC1 ZINC000128310449 388746912 /nfs/dbraw/zinc/74/69/12/388746912.db2.gz FAZGYYQYHFFZFF-CYBMUJFWSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CC[C@H]1CCC[N@@H+]1C ZINC000248734740 388691834 /nfs/dbraw/zinc/69/18/34/388691834.db2.gz BSCBFNJPFCSRII-XJFOESAGSA-N 1 3 240.391 1.704 20 0 BDADHO C[C@@H]1C[C@@H](O)C[C@H](C)N1CC[C@H]1CCC[N@H+]1C ZINC000248734740 388691835 /nfs/dbraw/zinc/69/18/35/388691835.db2.gz BSCBFNJPFCSRII-XJFOESAGSA-N 1 3 240.391 1.704 20 0 BDADHO C[C@H](CNCC1=CCCOC1)C[NH+]1CCCC1 ZINC000126594991 388698430 /nfs/dbraw/zinc/69/84/30/388698430.db2.gz KWJYVLFACXAAHR-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO C[C@H](C[NH2+]CC1=CCCOC1)CN1CCCC1 ZINC000126594991 388698432 /nfs/dbraw/zinc/69/84/32/388698432.db2.gz KWJYVLFACXAAHR-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000249385212 388719031 /nfs/dbraw/zinc/71/90/31/388719031.db2.gz BIOQTTJBFYCJEW-AVGNSLFASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249385212 388719033 /nfs/dbraw/zinc/71/90/33/388719033.db2.gz BIOQTTJBFYCJEW-AVGNSLFASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249385212 388719035 /nfs/dbraw/zinc/71/90/35/388719035.db2.gz BIOQTTJBFYCJEW-AVGNSLFASA-N 1 3 240.391 1.610 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249777397 388733531 /nfs/dbraw/zinc/73/35/31/388733531.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 1 3 228.380 1.543 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249777397 388733532 /nfs/dbraw/zinc/73/35/32/388733532.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)COC)C1 ZINC000249777397 388733533 /nfs/dbraw/zinc/73/35/33/388733533.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 1 3 228.380 1.543 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)COC)C1 ZINC000249777397 388733535 /nfs/dbraw/zinc/73/35/35/388733535.db2.gz KPRBEUSLXYOFIO-STQMWFEESA-N 1 3 228.380 1.543 20 0 BDADHO CCC(CC)C[NH2+]CCOCCN(C)C ZINC000230004743 388810254 /nfs/dbraw/zinc/81/02/54/388810254.db2.gz IJRCCNNMTKLYLS-UHFFFAOYSA-N 1 3 216.369 1.590 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000252715988 388774649 /nfs/dbraw/zinc/77/46/49/388774649.db2.gz XIETVBQAYCZECT-OLZOCXBDSA-N 1 3 227.396 1.258 20 0 BDADHO C[NH2+]C[C@](C)(O)CN(C)CC1CCCC1 ZINC000565092978 388913102 /nfs/dbraw/zinc/91/31/02/388913102.db2.gz NOVAIWVRNJRQQV-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000153368203 388967250 /nfs/dbraw/zinc/96/72/50/388967250.db2.gz QQNJMUDWKSOCLK-CHWSQXEVSA-N 1 3 228.380 1.590 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCNc2ccccn2)C1 ZINC000565843430 388974005 /nfs/dbraw/zinc/97/40/05/388974005.db2.gz NTNYDCSNKZMIEW-NWDGAFQWSA-N 1 3 234.347 1.353 20 0 BDADHO CCNCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000566088035 388986234 /nfs/dbraw/zinc/98/62/34/388986234.db2.gz OUAHXYPIKBFROX-ZDUSSCGKSA-N 1 3 240.391 1.925 20 0 BDADHO CSC[C@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C ZINC000565829141 388970840 /nfs/dbraw/zinc/97/08/40/388970840.db2.gz WPECAQSBQOUNNA-GHMZBOCLSA-N 1 3 248.436 1.276 20 0 BDADHO CSC[C@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000565829144 388970992 /nfs/dbraw/zinc/97/09/92/388970992.db2.gz WPECAQSBQOUNNA-WDEREUQCSA-N 1 3 248.436 1.276 20 0 BDADHO C(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000335644329 533369182 /nfs/dbraw/zinc/36/91/82/533369182.db2.gz TVZPODWWZVUALO-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO C([C@H]1CCSC1)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000224623769 533377863 /nfs/dbraw/zinc/37/78/63/533377863.db2.gz GOMXQUDRBACKBA-GRYCIOLGSA-N 1 3 226.389 1.423 20 0 BDADHO C([C@H]1CCSC1)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000224623769 533377867 /nfs/dbraw/zinc/37/78/67/533377867.db2.gz GOMXQUDRBACKBA-GRYCIOLGSA-N 1 3 226.389 1.423 20 0 BDADHO Cc1cnccc1N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368450758 132283582 /nfs/dbraw/zinc/28/35/82/132283582.db2.gz SPJYAWHDVBNCRT-OCCSQVGLSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cnccc1N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000368450758 132283584 /nfs/dbraw/zinc/28/35/84/132283584.db2.gz SPJYAWHDVBNCRT-OCCSQVGLSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1c[nH+]ccc1N1CC[C@H]2CCN(C)[C@H]2C1 ZINC000368450758 132283585 /nfs/dbraw/zinc/28/35/85/132283585.db2.gz SPJYAWHDVBNCRT-OCCSQVGLSA-N 1 3 231.343 1.920 20 0 BDADHO CC(C)[C@H](C)[NH2+]CCOCCN(C)C ZINC000219307324 134281223 /nfs/dbraw/zinc/28/12/23/134281223.db2.gz FTLWRAWTLUBQBT-NSHDSACASA-N 1 3 202.342 1.199 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[N@H+](C)C(C)C ZINC000221923222 134326837 /nfs/dbraw/zinc/32/68/37/134326837.db2.gz JOYACOLPGACSIP-RYUDHWBXSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000221923222 134326838 /nfs/dbraw/zinc/32/68/38/134326838.db2.gz JOYACOLPGACSIP-RYUDHWBXSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000221923222 134326839 /nfs/dbraw/zinc/32/68/39/134326839.db2.gz JOYACOLPGACSIP-RYUDHWBXSA-N 1 3 216.369 1.730 20 0 BDADHO C[NH2+]CCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227379293 134379132 /nfs/dbraw/zinc/37/91/32/134379132.db2.gz RBPUKRBPGHCNQQ-STQMWFEESA-N 1 3 225.380 1.155 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000227601702 134388007 /nfs/dbraw/zinc/38/80/07/134388007.db2.gz MTROGMRTUGCPBV-WOPDTQHZSA-N 1 3 213.369 1.009 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000069863016 134904807 /nfs/dbraw/zinc/90/48/07/134904807.db2.gz SPUHRECXDWQPIQ-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248986562 135029934 /nfs/dbraw/zinc/02/99/34/135029934.db2.gz XBAZIKGNRDDGIH-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000248986562 135029935 /nfs/dbraw/zinc/02/99/35/135029935.db2.gz XBAZIKGNRDDGIH-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)C ZINC000251139106 135065460 /nfs/dbraw/zinc/06/54/60/135065460.db2.gz WCDHLTYOIBGRKE-AGIUHOORSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)N(C)C ZINC000251139106 135065463 /nfs/dbraw/zinc/06/54/63/135065463.db2.gz WCDHLTYOIBGRKE-AGIUHOORSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251494970 135069551 /nfs/dbraw/zinc/06/95/51/135069551.db2.gz JRWQOLWWUOKJTH-RDBSUJKOSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1cccn1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251494970 135069553 /nfs/dbraw/zinc/06/95/53/135069553.db2.gz JRWQOLWWUOKJTH-RDBSUJKOSA-N 1 3 248.374 1.488 20 0 BDADHO CC[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000251741138 135076113 /nfs/dbraw/zinc/07/61/13/135076113.db2.gz KWAUYNQQCLGETK-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H](c1cccs1)N(C)CCOCC[NH3+] ZINC000086435529 135084037 /nfs/dbraw/zinc/08/40/37/135084037.db2.gz LBMHSHKYVGIMMW-JTQLQIEISA-N 1 3 228.361 1.716 20 0 BDADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCn1ccnc1 ZINC000086495853 135087518 /nfs/dbraw/zinc/08/75/18/135087518.db2.gz UBKLEUNTRNMGMP-NWDGAFQWSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000252214103 135087549 /nfs/dbraw/zinc/08/75/49/135087549.db2.gz YUMQSZFHNVZGQL-UPJWGTAASA-N 1 3 227.396 1.399 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CCCOC1 ZINC000252686669 135096546 /nfs/dbraw/zinc/09/65/46/135096546.db2.gz KCHNGLLKAJYCLZ-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703345 135098194 /nfs/dbraw/zinc/09/81/94/135098194.db2.gz XPNRCKVGFIECDV-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703345 135098196 /nfs/dbraw/zinc/09/81/96/135098196.db2.gz XPNRCKVGFIECDV-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000252711981 135100243 /nfs/dbraw/zinc/10/02/43/135100243.db2.gz LDRCCSUBWPXCCT-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000252743091 135106426 /nfs/dbraw/zinc/10/64/26/135106426.db2.gz LGCQEHODKJERLN-USZNOCQGSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H](O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000252745816 135106677 /nfs/dbraw/zinc/10/66/77/135106677.db2.gz PPHOWPQNJJQMOL-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H](O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000252745816 135106678 /nfs/dbraw/zinc/10/66/78/135106678.db2.gz PPHOWPQNJJQMOL-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCSCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767116 135108331 /nfs/dbraw/zinc/10/83/31/135108331.db2.gz JJZAOMFPFCVFCV-VHSXEESVSA-N 1 3 202.367 1.409 20 0 BDADHO C[C@@]1(CNC[C@H]2CCC[NH2+]C2)CCCO1 ZINC000087255627 135115625 /nfs/dbraw/zinc/11/56/25/135115625.db2.gz CUXPFDNNXSGJPO-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@]1(C[NH2+]C[C@H]2CCCNC2)CCCO1 ZINC000087255627 135115626 /nfs/dbraw/zinc/11/56/26/135115626.db2.gz CUXPFDNNXSGJPO-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000252913671 135116334 /nfs/dbraw/zinc/11/63/34/135116334.db2.gz OOLGGHSYIAHXEP-GARJFASQSA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1CN ZINC000253022336 135119098 /nfs/dbraw/zinc/11/90/98/135119098.db2.gz KYOOFLBEPZMQLV-TUAOUCFPSA-N 1 3 214.353 1.255 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000253014088 135119212 /nfs/dbraw/zinc/11/92/12/135119212.db2.gz FSTVYYBAOIGCSS-SRVKXCTJSA-N 1 3 214.353 1.255 20 0 BDADHO Cc1ccccc1CCNCC(C)(C)[NH3+] ZINC000258831870 135134713 /nfs/dbraw/zinc/13/47/13/135134713.db2.gz MHMPDUNWYWGATC-UHFFFAOYSA-N 1 3 206.333 1.864 20 0 BDADHO COc1ccc(CCNCC(C)(C)[NH3+])cc1 ZINC000258918733 135135369 /nfs/dbraw/zinc/13/53/69/135135369.db2.gz UFGIVKRFSPFAGD-UHFFFAOYSA-N 1 3 222.332 1.565 20 0 BDADHO c1cncc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000257656208 135138092 /nfs/dbraw/zinc/13/80/92/135138092.db2.gz FIBSTJBOFAUYER-UHFFFAOYSA-N 1 3 231.343 1.657 20 0 BDADHO C(C1CCOCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257652051 135138403 /nfs/dbraw/zinc/13/84/03/135138403.db2.gz DNLAMNZJEOLYDF-AWEZNQCLSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@H]1CCCOC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257713851 135140882 /nfs/dbraw/zinc/14/08/82/135140882.db2.gz UGRRRVTWYZXGQE-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO C([C@H]1CCCOC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257713851 135140883 /nfs/dbraw/zinc/14/08/83/135140883.db2.gz UGRRRVTWYZXGQE-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCC(C[NH3+])CC1 ZINC000257748435 135142040 /nfs/dbraw/zinc/14/20/40/135142040.db2.gz XWQCDCXHVLTVHV-UHFFFAOYSA-N 1 3 222.336 1.197 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccs3)C[C@@H]12 ZINC000261529568 135155717 /nfs/dbraw/zinc/15/57/17/135155717.db2.gz BBGPTALPLNSOEG-YUSALJHKSA-N 1 3 222.357 1.917 20 0 BDADHO Cc1ncc(C[NH2+][C@@](C)(CN)C(C)C)s1 ZINC000261530294 135157548 /nfs/dbraw/zinc/15/75/48/135157548.db2.gz CGDGWHKVXOPRCY-NSHDSACASA-N 1 3 227.377 1.915 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CCO1 ZINC000261533988 135166055 /nfs/dbraw/zinc/16/60/55/135166055.db2.gz MUBYGEHTHXMTSC-LPWJVIDDSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCNC[C@H]1C)[C@@H]1CCCO1 ZINC000261536801 135172889 /nfs/dbraw/zinc/17/28/89/135172889.db2.gz TUFJUHWCBNOWQW-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000261536801 135172890 /nfs/dbraw/zinc/17/28/90/135172890.db2.gz TUFJUHWCBNOWQW-WYUUTHIRSA-N 1 3 212.337 1.142 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000261536777 135173311 /nfs/dbraw/zinc/17/33/11/135173311.db2.gz SWLOTMUTYOIZHX-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CCC[C@](C)(CO)[NH2+]C[C@H]1CCCNC1 ZINC000261540207 135179273 /nfs/dbraw/zinc/17/92/73/135179273.db2.gz DUKHHSHTHNUTHV-NWDGAFQWSA-N 1 3 214.353 1.127 20 0 BDADHO CCC[C@](C)(CO)NC[C@H]1CCC[NH2+]C1 ZINC000261540207 135179274 /nfs/dbraw/zinc/17/92/74/135179274.db2.gz DUKHHSHTHNUTHV-NWDGAFQWSA-N 1 3 214.353 1.127 20 0 BDADHO C([C@@H]1CCOC1)[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261544715 135185957 /nfs/dbraw/zinc/18/59/57/135185957.db2.gz ZFNONOWLHVGJMS-STQMWFEESA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCOC1)[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000261544715 135185958 /nfs/dbraw/zinc/18/59/58/135185958.db2.gz ZFNONOWLHVGJMS-STQMWFEESA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCOC1)N(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000261544715 135185959 /nfs/dbraw/zinc/18/59/59/135185959.db2.gz ZFNONOWLHVGJMS-STQMWFEESA-N 1 3 238.375 1.487 20 0 BDADHO CCC1(C[N@@H+]2CC[C@@H](N)[C@H](C)C2)CCOCC1 ZINC000261553252 135192845 /nfs/dbraw/zinc/19/28/45/135192845.db2.gz NRAOLTIZDGRUQR-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@@H](N)[C@H](C)C2)CCOCC1 ZINC000261553252 135192846 /nfs/dbraw/zinc/19/28/46/135192846.db2.gz NRAOLTIZDGRUQR-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(CN2CC[C@@H]([NH3+])[C@H](C)C2)CCOCC1 ZINC000261553252 135192848 /nfs/dbraw/zinc/19/28/48/135192848.db2.gz NRAOLTIZDGRUQR-CHWSQXEVSA-N 1 3 240.391 1.862 20 0 BDADHO COc1ccccc1C[C@H](C)N[C@@H](C)[C@@H](C)[NH3+] ZINC000261554158 135193340 /nfs/dbraw/zinc/19/33/40/135193340.db2.gz OOJZAAIZBMCJGN-TUAOUCFPSA-N 1 3 236.359 1.952 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3cccnc3)C[C@H]12 ZINC000261553893 135193509 /nfs/dbraw/zinc/19/35/09/135193509.db2.gz OKVXLMATTDHKSP-MELADBBJSA-N 1 3 231.343 1.293 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@H]2C)C1(C)C ZINC000261553883 135193647 /nfs/dbraw/zinc/19/36/47/135193647.db2.gz OJRYPNHWBUYXBT-MROQNXINSA-N 1 3 240.391 1.778 20 0 BDADHO CC(C)CCOCCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000084221191 135193682 /nfs/dbraw/zinc/19/36/82/135193682.db2.gz DNFFLKNMIQHJKZ-QWHCGFSZSA-N 1 3 228.380 1.766 20 0 BDADHO CC(C)CCOCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000084221191 135193684 /nfs/dbraw/zinc/19/36/84/135193684.db2.gz DNFFLKNMIQHJKZ-QWHCGFSZSA-N 1 3 228.380 1.766 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C)C1(C)C ZINC000261553883 135193649 /nfs/dbraw/zinc/19/36/49/135193649.db2.gz OJRYPNHWBUYXBT-MROQNXINSA-N 1 3 240.391 1.778 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000261554642 135194612 /nfs/dbraw/zinc/19/46/12/135194612.db2.gz BAAHUFOLXLNSFE-TUAOUCFPSA-N 1 3 247.342 1.265 20 0 BDADHO C[C@H]1OCCN(CC2CC[NH2+]CC2)[C@@H]1C ZINC000261555164 135195162 /nfs/dbraw/zinc/19/51/62/135195162.db2.gz UUNYVOUYWKTEFQ-GHMZBOCLSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000261556473 135196730 /nfs/dbraw/zinc/19/67/30/135196730.db2.gz QUBVGYSTWYCJOQ-GVXVVHGQSA-N 1 3 236.363 1.588 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261561092 135202226 /nfs/dbraw/zinc/20/22/26/135202226.db2.gz VBLMUKKOSUIYLL-ZIAGYGMSSA-N 1 3 240.391 1.910 20 0 BDADHO COc1ccccc1C[C@H](C)NCC(C)(C)[NH3+] ZINC000261567646 135209543 /nfs/dbraw/zinc/20/95/43/135209543.db2.gz ZZMJWMDQKGENKD-NSHDSACASA-N 1 3 236.359 1.953 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000084384451 135218011 /nfs/dbraw/zinc/21/80/11/135218011.db2.gz WJPBEEFZFZURDJ-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]([NH3+])CN(C[C@H](C)O)C1CCCCC1 ZINC000261580068 135220705 /nfs/dbraw/zinc/22/07/05/135220705.db2.gz MQHNJQGFDBSRBT-QWRGUYRKSA-N 1 3 214.353 1.349 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000261583825 135225059 /nfs/dbraw/zinc/22/50/59/135225059.db2.gz PGLWWNBZONPZTA-UHTWSYAYSA-N 1 3 226.364 1.255 20 0 BDADHO COCc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000261585098 135226092 /nfs/dbraw/zinc/22/60/92/135226092.db2.gz QDQCCKYEPQDKAM-WDEREUQCSA-N 1 3 222.332 1.658 20 0 BDADHO CN1CCC[C@@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261591580 135232162 /nfs/dbraw/zinc/23/21/62/135232162.db2.gz XSHMJWSYGFSMPP-UGFHNGPFSA-N 1 3 245.370 1.815 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](O)c1ccsc1 ZINC000261593423 135233591 /nfs/dbraw/zinc/23/35/91/135233591.db2.gz WUMDYSKPQGZMOL-DLOVCJGASA-N 1 3 240.372 1.499 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000261597480 135236883 /nfs/dbraw/zinc/23/68/83/135236883.db2.gz ZCLCASXHZNRAQX-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000261547191 135240038 /nfs/dbraw/zinc/24/00/38/135240038.db2.gz LZYIVMFMSZCCCV-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000261547191 135240040 /nfs/dbraw/zinc/24/00/40/135240040.db2.gz LZYIVMFMSZCCCV-FRRDWIJNSA-N 1 3 208.349 1.860 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261547810 135240983 /nfs/dbraw/zinc/24/09/83/135240983.db2.gz IOYNKAGDZPKHKC-CHWSQXEVSA-N 1 3 236.363 1.299 20 0 BDADHO CC(C)[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1C ZINC000261716672 135247396 /nfs/dbraw/zinc/24/73/96/135247396.db2.gz FFDPNGIOEKEVCC-UONOGXRCSA-N 1 3 239.407 1.258 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@H]2CCOC2)C1 ZINC000261827445 135256147 /nfs/dbraw/zinc/25/61/47/135256147.db2.gz IVWQYMLMGCGOSX-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO C[C@]1(CN2CC[C@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882894 135260294 /nfs/dbraw/zinc/26/02/94/135260294.db2.gz RINBNJCQOCZPQN-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO C[C@@H]1CCN(C)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000261900369 135261925 /nfs/dbraw/zinc/26/19/25/135261925.db2.gz VWJACXDCKHZOKI-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO c1cn(C[C@H]2CCCN2C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261932045 135264170 /nfs/dbraw/zinc/26/41/70/135264170.db2.gz LREIKDXLGGILBN-ZIAGYGMSSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@H]2CCC[N@@H+]2C[C@@H]2CCCNC2)cn1 ZINC000261932045 135264171 /nfs/dbraw/zinc/26/41/71/135264171.db2.gz LREIKDXLGGILBN-ZIAGYGMSSA-N 1 3 248.374 1.347 20 0 BDADHO c1cn(C[C@H]2CCC[N@H+]2C[C@@H]2CCCNC2)cn1 ZINC000261932045 135264173 /nfs/dbraw/zinc/26/41/73/135264173.db2.gz LREIKDXLGGILBN-ZIAGYGMSSA-N 1 3 248.374 1.347 20 0 BDADHO C[C@]1(CN2CCC[C@@H]3COCC[C@H]32)CC[NH2+]C1 ZINC000261954961 135265764 /nfs/dbraw/zinc/26/57/64/135265764.db2.gz GPDKQKCMUDHBMB-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC(C)(C)COC)C1 ZINC000262029307 135273618 /nfs/dbraw/zinc/27/36/18/135273618.db2.gz WXWIZILAGJPHES-GFCCVEGCSA-N 1 3 228.380 1.590 20 0 BDADHO C[C@]1(CN2CC[C@H]([C@@H]3CCOC3)C2)CC[NH2+]C1 ZINC000262028449 135273875 /nfs/dbraw/zinc/27/38/75/135273875.db2.gz NUTJSLOUFBOJST-MJBXVCDLSA-N 1 3 238.375 1.344 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(CCOCC(F)F)C1 ZINC000262068724 135276498 /nfs/dbraw/zinc/27/64/98/135276498.db2.gz BTPDSHHSUYENLY-JTQLQIEISA-N 1 3 236.306 1.329 20 0 BDADHO CN(C[C@@H]1CCCC[C@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262106154 135279070 /nfs/dbraw/zinc/27/90/70/135279070.db2.gz VYTCJJWKTKUKGA-BFHYXJOUSA-N 1 3 240.391 1.469 20 0 BDADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)CO2 ZINC000262219173 135285639 /nfs/dbraw/zinc/28/56/39/135285639.db2.gz MOKYQQODYCMFCW-ZDUSSCGKSA-N 1 3 232.327 1.332 20 0 BDADHO C[C@H]([NH3+])CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000262297473 135291521 /nfs/dbraw/zinc/29/15/21/135291521.db2.gz WWPUUXALLLTQBY-GXFFZTMASA-N 1 3 237.322 1.119 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348305172 136065640 /nfs/dbraw/zinc/06/56/40/136065640.db2.gz NXFCULNSBARIEQ-CHWSQXEVSA-N 1 3 242.407 1.979 20 0 BDADHO CO[C@H](C)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571678 136109653 /nfs/dbraw/zinc/10/96/53/136109653.db2.gz ZNIKERQHRUTZGJ-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO CO[C@H](C)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335571678 136109654 /nfs/dbraw/zinc/10/96/54/136109654.db2.gz ZNIKERQHRUTZGJ-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO CCn1ccnc1CNCC1CC[NH+](C)CC1 ZINC000051924235 322852194 /nfs/dbraw/zinc/85/21/94/322852194.db2.gz ZDAPGTPYTCLJJW-UHFFFAOYSA-N 1 3 236.363 1.334 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000649571761 397963105 /nfs/dbraw/zinc/96/31/05/397963105.db2.gz WBGBXZNRAKJZEC-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000649571761 397963107 /nfs/dbraw/zinc/96/31/07/397963107.db2.gz WBGBXZNRAKJZEC-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@H]1C[C@H](CN2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000414763667 398028024 /nfs/dbraw/zinc/02/80/24/398028024.db2.gz NFLYSROMDVKDLP-DGAVXFQQSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000414917609 398092322 /nfs/dbraw/zinc/09/23/22/398092322.db2.gz RVOLZZIGNUHBQD-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]C[C@]1(C)CCCNC1 ZINC000414917609 398092324 /nfs/dbraw/zinc/09/23/24/398092324.db2.gz RVOLZZIGNUHBQD-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO Cc1ncccc1CNCC1=CC[N@H+](C)CC1 ZINC000345174871 398087041 /nfs/dbraw/zinc/08/70/41/398087041.db2.gz ONOCJTAYRBSGDC-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO Cc1ncccc1CNCC1=CC[N@@H+](C)CC1 ZINC000345174871 398087044 /nfs/dbraw/zinc/08/70/44/398087044.db2.gz ONOCJTAYRBSGDC-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000515054254 398131946 /nfs/dbraw/zinc/13/19/46/398131946.db2.gz DJSTWEFYYGQLPZ-AVGNSLFASA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000515054254 398131949 /nfs/dbraw/zinc/13/19/49/398131949.db2.gz DJSTWEFYYGQLPZ-AVGNSLFASA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000515054254 398131954 /nfs/dbraw/zinc/13/19/54/398131954.db2.gz DJSTWEFYYGQLPZ-AVGNSLFASA-N 1 3 228.380 1.466 20 0 BDADHO Cc1cc(CNC[C@H](C)C[NH3+])ccc1F ZINC000258747084 322877052 /nfs/dbraw/zinc/87/70/52/322877052.db2.gz LSCQTPMDKMSWLI-SECBINFHSA-N 1 3 210.296 1.819 20 0 BDADHO COc1ccc(CNC[C@@H](C)C[NH3+])cc1OC ZINC000258846388 322878866 /nfs/dbraw/zinc/87/88/66/322878866.db2.gz WWNUEDGQIVNYPF-JTQLQIEISA-N 1 3 238.331 1.388 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCC[C@H]2O)C1 ZINC000393282056 487571317 /nfs/dbraw/zinc/57/13/17/487571317.db2.gz YXEIPLAHFDURTH-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000393282056 487571320 /nfs/dbraw/zinc/57/13/20/487571320.db2.gz YXEIPLAHFDURTH-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000393282056 487571322 /nfs/dbraw/zinc/57/13/22/487571322.db2.gz YXEIPLAHFDURTH-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)OCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252834052 167243545 /nfs/dbraw/zinc/24/35/45/167243545.db2.gz QDYZAWZNAVAKBX-BFHYXJOUSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000128143566 167244352 /nfs/dbraw/zinc/24/43/52/167244352.db2.gz QKNWLXXHBUJCKX-VXGBXAGGSA-N 1 3 214.353 1.484 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000128143566 167244353 /nfs/dbraw/zinc/24/43/53/167244353.db2.gz QKNWLXXHBUJCKX-VXGBXAGGSA-N 1 3 214.353 1.484 20 0 BDADHO Cc1cc(CN2CCC([C@@H](C)[NH3+])CC2)nc(C)n1 ZINC000662247192 409546154 /nfs/dbraw/zinc/54/61/54/409546154.db2.gz VFYBNQCHPXDVNV-LLVKDONJSA-N 1 3 248.374 1.653 20 0 BDADHO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662284597 409614762 /nfs/dbraw/zinc/61/47/62/409614762.db2.gz ZFCQVIGAKACTFY-JHJVBQTASA-N 1 3 238.375 1.676 20 0 BDADHO [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000662419048 409704457 /nfs/dbraw/zinc/70/44/57/409704457.db2.gz VEQIYBLHOTVKPC-UMSPYCQHSA-N 1 3 245.326 1.008 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709706 410340603 /nfs/dbraw/zinc/34/06/03/410340603.db2.gz MZSIZQOOEKFABI-AAEUAGOBSA-N 1 3 234.347 1.279 20 0 BDADHO CCn1ccnc1CNCCC1(C[NH3+])CC1 ZINC000650712650 410341474 /nfs/dbraw/zinc/34/14/74/410341474.db2.gz NEFCWCIHMLJSHN-UHFFFAOYSA-N 1 3 222.336 1.122 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650712181 410342558 /nfs/dbraw/zinc/34/25/58/410342558.db2.gz UXDCQYXTYVBLDC-ZWNOBZJWSA-N 1 3 236.363 1.667 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715330 410350442 /nfs/dbraw/zinc/35/04/42/410350442.db2.gz YNJBZXPIHXYQPG-UONOGXRCSA-N 1 3 247.386 1.986 20 0 BDADHO CC(C)(N)C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715804 410350926 /nfs/dbraw/zinc/35/09/26/410350926.db2.gz KPUISCWAQOHPKU-LLVKDONJSA-N 1 3 219.332 1.350 20 0 BDADHO COc1cc(C)nc(CNCCC2(C[NH3+])CC2)c1 ZINC000650713341 410351407 /nfs/dbraw/zinc/35/14/07/410351407.db2.gz PJJQRKLWXUANST-UHFFFAOYSA-N 1 3 249.358 1.617 20 0 BDADHO C[NH2+]Cc1ccccc1CNCc1[nH]ncc1C ZINC000650720193 410357532 /nfs/dbraw/zinc/35/75/32/410357532.db2.gz HQSJYVWKNPBXBO-UHFFFAOYSA-N 1 3 244.342 1.727 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CNc2ccccc2C1 ZINC000650747461 410387902 /nfs/dbraw/zinc/38/79/02/410387902.db2.gz AKGHBJDWZDZHAG-DMDPSCGWSA-N 1 3 233.359 1.739 20 0 BDADHO CO[C@H](C)[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650753680 410396909 /nfs/dbraw/zinc/39/69/09/410396909.db2.gz SRNYWFOGZDQIEU-VHSXEESVSA-N 1 3 240.322 1.797 20 0 BDADHO C[C@@H](NCCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000650761508 410409265 /nfs/dbraw/zinc/40/92/65/410409265.db2.gz AQWYKTQTBIKDPZ-LLVKDONJSA-N 1 3 236.363 1.460 20 0 BDADHO CC(C)(C)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889624 166609249 /nfs/dbraw/zinc/60/92/49/166609249.db2.gz GLXCIFOHVZCVHB-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H](NC[C@@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265037 410737106 /nfs/dbraw/zinc/73/71/06/410737106.db2.gz OCRIBDGTMVFGCU-SCVCMEIPSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)C1CNC1 ZINC000665265037 410737112 /nfs/dbraw/zinc/73/71/12/410737112.db2.gz OCRIBDGTMVFGCU-SCVCMEIPSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CCCO1 ZINC000665282383 410759686 /nfs/dbraw/zinc/75/96/86/410759686.db2.gz WTDJSUXIZRFQSW-TUAOUCFPSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@H](C)C1 ZINC000393862716 410764536 /nfs/dbraw/zinc/76/45/36/410764536.db2.gz KOBDQQQFVFBZOC-HZSPNIEDSA-N 1 3 242.407 1.665 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](C)C[C@H](C)C1 ZINC000393862716 410764539 /nfs/dbraw/zinc/76/45/39/410764539.db2.gz KOBDQQQFVFBZOC-HZSPNIEDSA-N 1 3 242.407 1.665 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](C)C1 ZINC000308980719 410831428 /nfs/dbraw/zinc/83/14/28/410831428.db2.gz DUIQPRKADBWTPC-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C)C1 ZINC000308980719 410831433 /nfs/dbraw/zinc/83/14/33/410831433.db2.gz DUIQPRKADBWTPC-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOCCF ZINC000665298820 410831969 /nfs/dbraw/zinc/83/19/69/410831969.db2.gz AIEOBAZHMGKZLD-OLZOCXBDSA-N 1 3 246.370 1.873 20 0 BDADHO CC(C)OCCCN1CC[C@](C)(C[NH3+])C1 ZINC000336752051 167215732 /nfs/dbraw/zinc/21/57/32/167215732.db2.gz VKHUYGWISAEVCZ-GFCCVEGCSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)OCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000336752051 167215733 /nfs/dbraw/zinc/21/57/33/167215733.db2.gz VKHUYGWISAEVCZ-GFCCVEGCSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)OCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000336752051 167215734 /nfs/dbraw/zinc/21/57/34/167215734.db2.gz VKHUYGWISAEVCZ-GFCCVEGCSA-N 1 3 214.353 1.472 20 0 BDADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000041680145 169784533 /nfs/dbraw/zinc/78/45/33/169784533.db2.gz VGWQSBKWXQLPJD-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)OCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000122347610 167237749 /nfs/dbraw/zinc/23/77/49/167237749.db2.gz LHPYLYUZHBXRHI-QWRGUYRKSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H]([NH2+]CCCN(C)C)c1cccnc1 ZINC000019958515 411073720 /nfs/dbraw/zinc/07/37/20/411073720.db2.gz OMGJXSWFISFWJT-NSHDSACASA-N 1 3 207.321 1.684 20 0 BDADHO C[C@H](N)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000107788609 411139292 /nfs/dbraw/zinc/13/92/92/411139292.db2.gz JYMIIKSLHLEMOP-ZDUSSCGKSA-N 1 3 247.386 1.588 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000651865783 411147859 /nfs/dbraw/zinc/14/78/59/411147859.db2.gz HMZWRVZMIUVIKS-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO CC1([NH3+])CCN(CC2CCOCC2)CC1 ZINC000309514740 411157501 /nfs/dbraw/zinc/15/75/01/411157501.db2.gz YISQKXFFUMQOCF-UHFFFAOYSA-N 1 3 212.337 1.226 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989538 411159107 /nfs/dbraw/zinc/15/91/07/411159107.db2.gz NJWHIORCZXJDNB-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989538 411159112 /nfs/dbraw/zinc/15/91/12/411159112.db2.gz NJWHIORCZXJDNB-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C1CC1 ZINC000659879976 411177665 /nfs/dbraw/zinc/17/76/65/411177665.db2.gz YYGSTXKBUTXNJP-KGLIPLIRSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1C1CC1 ZINC000659879976 411177667 /nfs/dbraw/zinc/17/76/67/411177667.db2.gz YYGSTXKBUTXNJP-KGLIPLIRSA-N 1 3 240.391 1.562 20 0 BDADHO Cc1cnc(CCN[C@H](C)C[C@H](C)[NH3+])c(C)c1 ZINC000656199657 411202964 /nfs/dbraw/zinc/20/29/64/411202964.db2.gz ACQOSOHBIYDALO-QWHCGFSZSA-N 1 3 235.375 1.956 20 0 BDADHO Cc1cnc(CC[NH2+][C@H](C)C[C@H](C)N)c(C)c1 ZINC000656199657 411202967 /nfs/dbraw/zinc/20/29/67/411202967.db2.gz ACQOSOHBIYDALO-QWHCGFSZSA-N 1 3 235.375 1.956 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198078 411203027 /nfs/dbraw/zinc/20/30/27/411203027.db2.gz HHMMVJJYTWILRE-GJZGRUSLSA-N 1 3 248.370 1.581 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(CO)cc2)C1 ZINC000656198078 411203029 /nfs/dbraw/zinc/20/30/29/411203029.db2.gz HHMMVJJYTWILRE-GJZGRUSLSA-N 1 3 248.370 1.581 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000652338155 411204738 /nfs/dbraw/zinc/20/47/38/411204738.db2.gz GULMOMJZGQMOJZ-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000652338155 411204740 /nfs/dbraw/zinc/20/47/40/411204740.db2.gz GULMOMJZGQMOJZ-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC2(C1)CCCCC2 ZINC000652338155 411204744 /nfs/dbraw/zinc/20/47/44/411204744.db2.gz GULMOMJZGQMOJZ-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H](N[C@@H]1CCCN2CCCC[C@@H]12)C1C[NH2+]C1 ZINC000656201462 411205970 /nfs/dbraw/zinc/20/59/70/411205970.db2.gz PKYZAKGYGITKMX-YUTCNCBUSA-N 1 3 237.391 1.201 20 0 BDADHO COCC1(C[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000656201794 411207373 /nfs/dbraw/zinc/20/73/73/411207373.db2.gz ZMYCYASFKWLMQQ-NXEZZACHSA-N 1 3 200.326 1.128 20 0 BDADHO COCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652351926 411211812 /nfs/dbraw/zinc/21/18/12/411211812.db2.gz JAJPFXLEXIQISU-KBPBESRZSA-N 1 3 240.391 1.864 20 0 BDADHO COCCCCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652351926 411211814 /nfs/dbraw/zinc/21/18/14/411211814.db2.gz JAJPFXLEXIQISU-KBPBESRZSA-N 1 3 240.391 1.864 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+][C@H](CCCO)c1ccccc1 ZINC000422976203 411234880 /nfs/dbraw/zinc/23/48/80/411234880.db2.gz IBKPEEDPPVZVBF-RBSFLKMASA-N 1 3 248.370 1.970 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422903573 411235477 /nfs/dbraw/zinc/23/54/77/411235477.db2.gz FRQDHOBUBHHWKU-SDDRHHMPSA-N 1 3 213.369 1.186 20 0 BDADHO COCCN(CC(C)C)C[C@H]1CC[NH2+]C1 ZINC000051889720 411284880 /nfs/dbraw/zinc/28/48/80/411284880.db2.gz ZZXVLXXOIQHCBC-LBPRGKRZSA-N 1 3 214.353 1.200 20 0 BDADHO CC[C@@H]1CN(CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403851424 411363430 /nfs/dbraw/zinc/36/34/30/411363430.db2.gz WRCSRLIGLWIKNJ-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO COC(=O)CCCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123475783 411367910 /nfs/dbraw/zinc/36/79/10/411367910.db2.gz SOWHDSMDMCUKSM-VXGBXAGGSA-N 1 3 242.363 1.354 20 0 BDADHO COC(=O)CCCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123475783 411367912 /nfs/dbraw/zinc/36/79/12/411367912.db2.gz SOWHDSMDMCUKSM-VXGBXAGGSA-N 1 3 242.363 1.354 20 0 BDADHO C[C@H]1CCC[N@H+](CC2CCOCC2)[C@@H]1CCN ZINC000404299982 411389784 /nfs/dbraw/zinc/38/97/84/411389784.db2.gz PRSCZFWEAOYPPG-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]1CCC[N@@H+](CC2CCOCC2)[C@@H]1CCN ZINC000404299982 411389789 /nfs/dbraw/zinc/38/97/89/411389789.db2.gz PRSCZFWEAOYPPG-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)[C@H]1CCN ZINC000404409877 411394267 /nfs/dbraw/zinc/39/42/67/411394267.db2.gz BYPHBYIXBKEEHY-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)[C@H]1CCN ZINC000404409877 411394268 /nfs/dbraw/zinc/39/42/68/411394268.db2.gz BYPHBYIXBKEEHY-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H]1C[N@H+](CCCN)CCc2ccccc21 ZINC000404831739 411409001 /nfs/dbraw/zinc/40/90/01/411409001.db2.gz YISMUUCLSIOICD-LBPRGKRZSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@H]1C[N@@H+](CCCN)CCc2ccccc21 ZINC000404831739 411409003 /nfs/dbraw/zinc/40/90/03/411409003.db2.gz YISMUUCLSIOICD-LBPRGKRZSA-N 1 3 218.344 1.997 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000414707567 411440736 /nfs/dbraw/zinc/44/07/36/411440736.db2.gz IAVBJZRVQBKPPF-TUAOUCFPSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000414707567 411440738 /nfs/dbraw/zinc/44/07/38/411440738.db2.gz IAVBJZRVQBKPPF-TUAOUCFPSA-N 1 3 214.353 1.063 20 0 BDADHO CC1([NH3+])CCN(C[C@H]2CCSC2)CC1 ZINC000306292867 411442556 /nfs/dbraw/zinc/44/25/56/411442556.db2.gz WGJJQHPABAWMRL-SNVBAGLBSA-N 1 3 214.378 1.553 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]CCCN(CC)CC)CO1 ZINC000657285271 411442970 /nfs/dbraw/zinc/44/29/70/411442970.db2.gz AUWVIRJBRMBBOI-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000405846846 411443917 /nfs/dbraw/zinc/44/39/17/411443917.db2.gz HXUPCDFBPDAEFE-QJPTWQEYSA-N 1 3 244.404 1.035 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@@H]2CCSC2)C[C@H]1CN ZINC000405846846 411443918 /nfs/dbraw/zinc/44/39/18/411443918.db2.gz HXUPCDFBPDAEFE-QJPTWQEYSA-N 1 3 244.404 1.035 20 0 BDADHO CCO[C@@H]1CN(C[C@@H]2CCSC2)C[C@H]1C[NH3+] ZINC000405846846 411443919 /nfs/dbraw/zinc/44/39/19/411443919.db2.gz HXUPCDFBPDAEFE-QJPTWQEYSA-N 1 3 244.404 1.035 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCNC[C@@H]2C)CCO1 ZINC000414944450 411472989 /nfs/dbraw/zinc/47/29/89/411472989.db2.gz PTNQNYGHCJSZAU-CRWXNKLISA-N 1 3 240.391 1.778 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CN[C@@H]2CCCn3ccnc32)C1 ZINC000655803456 411518214 /nfs/dbraw/zinc/51/82/14/411518214.db2.gz PUQKUSKFSJXXDY-FRRDWIJNSA-N 1 3 248.374 1.648 20 0 BDADHO COCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000655817702 411528381 /nfs/dbraw/zinc/52/83/81/411528381.db2.gz ODAFBAYGPCGBAQ-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO COCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000655817702 411528382 /nfs/dbraw/zinc/52/83/82/411528382.db2.gz ODAFBAYGPCGBAQ-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000356855249 170017403 /nfs/dbraw/zinc/01/74/03/170017403.db2.gz UZYCBNVVYWJZDO-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCN2CCC2)[C@H](C)C1 ZINC000336780568 170020321 /nfs/dbraw/zinc/02/03/21/170020321.db2.gz RRDFKSKEYDERBU-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC[N@H+]1CC[C@H](NCCN2CCC2)[C@H](C)C1 ZINC000336780568 170020323 /nfs/dbraw/zinc/02/03/23/170020323.db2.gz RRDFKSKEYDERBU-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCN2CCC2)[C@@H](C)C1 ZINC000336780570 170021049 /nfs/dbraw/zinc/02/10/49/170021049.db2.gz RRDFKSKEYDERBU-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CC[N@H+]1CC[C@H](NCCN2CCC2)[C@@H](C)C1 ZINC000336780570 170021050 /nfs/dbraw/zinc/02/10/50/170021050.db2.gz RRDFKSKEYDERBU-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO CCOCC(C)(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000339374461 170355329 /nfs/dbraw/zinc/35/53/29/170355329.db2.gz BUWBHAVLAJQEOV-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO CCOCC(C)(C)NCC[C@@H]1CCC[N@H+]1C ZINC000339374461 170355330 /nfs/dbraw/zinc/35/53/30/170355330.db2.gz BUWBHAVLAJQEOV-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO CC1=C(C)C[N@H+](C[C@@H](O)CN(C)C(C)C)CC1 ZINC000660454636 411587454 /nfs/dbraw/zinc/58/74/54/411587454.db2.gz ABOQIERFERWFKK-AWEZNQCLSA-N 1 3 240.391 1.730 20 0 BDADHO CC1=C(C)C[N@@H+](C[C@@H](O)CN(C)C(C)C)CC1 ZINC000660454636 411587455 /nfs/dbraw/zinc/58/74/55/411587455.db2.gz ABOQIERFERWFKK-AWEZNQCLSA-N 1 3 240.391 1.730 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616124 411607926 /nfs/dbraw/zinc/60/79/26/411607926.db2.gz GYRYAQIMWJEQFC-OCCSQVGLSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CC[C@]2(CCN([C@H]3COC(C)(C)C3)C2)C1 ZINC000660616124 411607928 /nfs/dbraw/zinc/60/79/28/411607928.db2.gz GYRYAQIMWJEQFC-OCCSQVGLSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN([C@@H]1CCCOC1)C2 ZINC000660656945 411613931 /nfs/dbraw/zinc/61/39/31/411613931.db2.gz CAJOVGQFKFTEMF-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN([C@@H]1CCCOC1)C2 ZINC000660656945 411613932 /nfs/dbraw/zinc/61/39/32/411613932.db2.gz CAJOVGQFKFTEMF-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCC(C)(C)O)C2 ZINC000660661006 411614591 /nfs/dbraw/zinc/61/45/91/411614591.db2.gz YNBXKNQRWDZPKR-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(CCC(C)(C)O)C2 ZINC000660661006 411614592 /nfs/dbraw/zinc/61/45/92/411614592.db2.gz YNBXKNQRWDZPKR-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOCCF)[C@@H](C)C1 ZINC000663463933 411665976 /nfs/dbraw/zinc/66/59/76/411665976.db2.gz OSTXWSXEUVDZGN-RYUDHWBXSA-N 1 3 232.343 1.292 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOCCF)[C@@H](C)C1 ZINC000663463933 411665979 /nfs/dbraw/zinc/66/59/79/411665979.db2.gz OSTXWSXEUVDZGN-RYUDHWBXSA-N 1 3 232.343 1.292 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H](C)CCC(F)(F)F ZINC000663513539 411695127 /nfs/dbraw/zinc/69/51/27/411695127.db2.gz KZHLXOQOUQXBAQ-SFYZADRCSA-N 1 3 212.259 1.915 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](CO)C1CCC1 ZINC000661151479 411721193 /nfs/dbraw/zinc/72/11/93/411721193.db2.gz CJCUPGRISUBEIM-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](CO)C1CCC1 ZINC000661151479 411721196 /nfs/dbraw/zinc/72/11/96/411721196.db2.gz CJCUPGRISUBEIM-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661699680 411844873 /nfs/dbraw/zinc/84/48/73/411844873.db2.gz DSYTYWJEVIIYDR-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661699680 411844876 /nfs/dbraw/zinc/84/48/76/411844876.db2.gz DSYTYWJEVIIYDR-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO O[C@]12C[C@H]1C[N@H+](CCCN1CCCCC1)CC2 ZINC000661723892 411860613 /nfs/dbraw/zinc/86/06/13/411860613.db2.gz XSIWAXDDMJTLPW-UONOGXRCSA-N 1 3 238.375 1.319 20 0 BDADHO O[C@]12C[C@H]1C[N@@H+](CCCN1CCCCC1)CC2 ZINC000661723892 411860617 /nfs/dbraw/zinc/86/06/17/411860617.db2.gz XSIWAXDDMJTLPW-UONOGXRCSA-N 1 3 238.375 1.319 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC2(COC2)C1 ZINC000662073769 411973356 /nfs/dbraw/zinc/97/33/56/411973356.db2.gz LYRRDXHZGINRJJ-GFCCVEGCSA-N 1 3 224.348 1.193 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC2(COC2)C1 ZINC000662073769 411973360 /nfs/dbraw/zinc/97/33/60/411973360.db2.gz LYRRDXHZGINRJJ-GFCCVEGCSA-N 1 3 224.348 1.193 20 0 BDADHO CC[C@H](C)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154583 412007889 /nfs/dbraw/zinc/00/78/89/412007889.db2.gz XWJKJPPHAQBTSO-JSGCOSHPSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@H](C)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154583 412007894 /nfs/dbraw/zinc/00/78/94/412007894.db2.gz XWJKJPPHAQBTSO-JSGCOSHPSA-N 1 3 240.391 1.564 20 0 BDADHO Cc1cc(CN2CCC(C[NH3+])CC2)nc(C)n1 ZINC000662234195 412031594 /nfs/dbraw/zinc/03/15/94/412031594.db2.gz JNLKESAUENARJK-UHFFFAOYSA-N 1 3 234.347 1.264 20 0 BDADHO C[NH2+]C1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662243713 412039101 /nfs/dbraw/zinc/03/91/01/412039101.db2.gz JGDVLBHMCMZKKI-ZSBIGDGJSA-N 1 3 208.349 1.716 20 0 BDADHO CNC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000662243713 412039106 /nfs/dbraw/zinc/03/91/06/412039106.db2.gz JGDVLBHMCMZKKI-ZSBIGDGJSA-N 1 3 208.349 1.716 20 0 BDADHO C[C@H]([NH3+])C1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000662247573 412044106 /nfs/dbraw/zinc/04/41/06/412044106.db2.gz XUSOMAKGOMLCSS-ONGXEEELSA-N 1 3 248.317 1.470 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662256973 412051692 /nfs/dbraw/zinc/05/16/92/412051692.db2.gz KVIBUHXAYIEEIV-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662256973 412051696 /nfs/dbraw/zinc/05/16/96/412051696.db2.gz KVIBUHXAYIEEIV-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO CCC[N@H+](C[C@@H](COC)OC)C1CCNCC1 ZINC000662262003 412052822 /nfs/dbraw/zinc/05/28/22/412052822.db2.gz CSZNHPKSNQGEMF-ZDUSSCGKSA-N 1 3 244.379 1.112 20 0 BDADHO CCC[N@@H+](C[C@@H](COC)OC)C1CCNCC1 ZINC000662262003 412052824 /nfs/dbraw/zinc/05/28/24/412052824.db2.gz CSZNHPKSNQGEMF-ZDUSSCGKSA-N 1 3 244.379 1.112 20 0 BDADHO CCCN(C[C@@H](COC)OC)C1CC[NH2+]CC1 ZINC000662262003 412052826 /nfs/dbraw/zinc/05/28/26/412052826.db2.gz CSZNHPKSNQGEMF-ZDUSSCGKSA-N 1 3 244.379 1.112 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000233952005 171086397 /nfs/dbraw/zinc/08/63/97/171086397.db2.gz BMEWYWSUQLJXTR-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1cc(CN2CCC[C@@H](CC[NH3+])C2)ncn1 ZINC000662273050 412066058 /nfs/dbraw/zinc/06/60/58/412066058.db2.gz ROCAAIXXNROMSB-LBPRGKRZSA-N 1 3 234.347 1.346 20 0 BDADHO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662280442 412070536 /nfs/dbraw/zinc/07/05/36/412070536.db2.gz DNPZAIXKCHWEHI-SDDRHHMPSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000336367675 171207213 /nfs/dbraw/zinc/20/72/13/171207213.db2.gz FZWGYLXXLNBCJK-AAEUAGOBSA-N 1 3 224.348 1.620 20 0 BDADHO C[C@@H](NC[C@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282275 412072063 /nfs/dbraw/zinc/07/20/63/412072063.db2.gz OFYUBMMEGROGOZ-VXGBXAGGSA-N 1 3 247.342 1.253 20 0 BDADHO Cc1nccn1CCCN(C)CC(C)(C)[NH3+] ZINC000662295417 412083800 /nfs/dbraw/zinc/08/38/00/412083800.db2.gz RDEWOBCGNSTEHS-UHFFFAOYSA-N 1 3 224.352 1.251 20 0 BDADHO Cc1nccn1CCC[N@@H+](C)CC(C)(C)N ZINC000662295417 412083804 /nfs/dbraw/zinc/08/38/04/412083804.db2.gz RDEWOBCGNSTEHS-UHFFFAOYSA-N 1 3 224.352 1.251 20 0 BDADHO Cc1nccn1CCC[N@H+](C)CC(C)(C)N ZINC000662295417 412083807 /nfs/dbraw/zinc/08/38/07/412083807.db2.gz RDEWOBCGNSTEHS-UHFFFAOYSA-N 1 3 224.352 1.251 20 0 BDADHO CC[C@H](C)N1CCN(CCCCCC[NH3+])CC1 ZINC000055083503 171318843 /nfs/dbraw/zinc/31/88/43/171318843.db2.gz BKBJRGKGRNRZKE-AWEZNQCLSA-N 1 3 241.423 1.922 20 0 BDADHO CC[C@@H](C)[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662290191 412079698 /nfs/dbraw/zinc/07/96/98/412079698.db2.gz MSBCVIWVCLKBIG-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H](C)[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662290191 412079701 /nfs/dbraw/zinc/07/97/01/412079701.db2.gz MSBCVIWVCLKBIG-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H](C)[C@@H]1CCO ZINC000662303107 412088357 /nfs/dbraw/zinc/08/83/57/412088357.db2.gz SPXMLBWJDPVAKO-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000662303107 412088360 /nfs/dbraw/zinc/08/83/60/412088360.db2.gz SPXMLBWJDPVAKO-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000662303107 412088363 /nfs/dbraw/zinc/08/83/63/412088363.db2.gz SPXMLBWJDPVAKO-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@H]1CCCNC1 ZINC000662332785 412106239 /nfs/dbraw/zinc/10/62/39/412106239.db2.gz XJBNUDGDBHHUOR-RYUDHWBXSA-N 1 3 210.365 1.964 20 0 BDADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CCCNC1 ZINC000662332785 412106243 /nfs/dbraw/zinc/10/62/43/412106243.db2.gz XJBNUDGDBHHUOR-RYUDHWBXSA-N 1 3 210.365 1.964 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000662374532 412129314 /nfs/dbraw/zinc/12/93/14/412129314.db2.gz JEDCVUSDZRIHDZ-CYBMUJFWSA-N 1 3 249.358 1.685 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NC[C@@H]1CCCO1 ZINC000665236020 412176701 /nfs/dbraw/zinc/17/67/01/412176701.db2.gz FQVQUWJJORXZPC-SDDRHHMPSA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CCCCN1 ZINC000665244243 412184383 /nfs/dbraw/zinc/18/43/83/412184383.db2.gz JQPQULKEJMXKHL-GARJFASQSA-N 1 3 248.317 1.531 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(N)CCCC1 ZINC000665249601 412194170 /nfs/dbraw/zinc/19/41/70/412194170.db2.gz UEVOTDXOURIQAR-YPMHNXCESA-N 1 3 237.391 1.330 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249601 412194173 /nfs/dbraw/zinc/19/41/73/412194173.db2.gz UEVOTDXOURIQAR-YPMHNXCESA-N 1 3 237.391 1.330 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665262168 412205184 /nfs/dbraw/zinc/20/51/84/412205184.db2.gz VTIFRUBFSBJSOY-MROQNXINSA-N 1 3 226.364 1.268 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665262948 412205260 /nfs/dbraw/zinc/20/52/60/412205260.db2.gz CKSSJDGEDRLIQG-CHWSQXEVSA-N 1 3 222.332 1.929 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1ccoc1 ZINC000665262948 412205264 /nfs/dbraw/zinc/20/52/64/412205264.db2.gz CKSSJDGEDRLIQG-CHWSQXEVSA-N 1 3 222.332 1.929 20 0 BDADHO C[C@]1(CN[C@H]2CCC[C@@H]2[NH3+])CC1(F)F ZINC000665265545 412209121 /nfs/dbraw/zinc/20/91/21/412209121.db2.gz XYJFVEZHJRMXKH-XHNCKOQMSA-N 1 3 204.264 1.501 20 0 BDADHO COC1CC(CC[NH2+][C@H](C)C[C@H](C)N)C1 ZINC000665229771 412168367 /nfs/dbraw/zinc/16/83/67/412168367.db2.gz CHOBACVEXJFRDT-DMOGRIERSA-N 1 3 214.353 1.517 20 0 BDADHO COC1CC(CCN[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000665230002 412168909 /nfs/dbraw/zinc/16/89/09/412168909.db2.gz HIAUORZUBYUDAK-RYSNWHEDSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](N[C@@H]1CCN(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235827 412174095 /nfs/dbraw/zinc/17/40/95/412174095.db2.gz ARQDEEPOWXUDJL-CMPLNLGQSA-N 1 3 225.380 1.057 20 0 BDADHO CC[C@@H]([NH2+]C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000662683398 412269422 /nfs/dbraw/zinc/26/94/22/412269422.db2.gz NRWIUUUKVSGLMH-CYBMUJFWSA-N 1 3 249.358 1.685 20 0 BDADHO Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CCCCN2)n1 ZINC000665274429 412217768 /nfs/dbraw/zinc/21/77/68/412217768.db2.gz PXIAPAXYYZFMPE-OCCSQVGLSA-N 1 3 248.374 1.448 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662567183 412222312 /nfs/dbraw/zinc/22/23/12/412222312.db2.gz CABWBUUTLWMBAT-JTQLQIEISA-N 1 3 247.342 1.147 20 0 BDADHO COCC[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279825 412222444 /nfs/dbraw/zinc/22/24/44/412222444.db2.gz NBDNXCJTUQCTBT-DKNRTOFZSA-N 1 3 238.375 1.533 20 0 BDADHO COCC[C@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279825 412222448 /nfs/dbraw/zinc/22/24/48/412222448.db2.gz NBDNXCJTUQCTBT-DKNRTOFZSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@H]1C[C@@H]1C ZINC000665280277 412225247 /nfs/dbraw/zinc/22/52/47/412225247.db2.gz XSOGQHZCQNNQKY-OBXMVCJZSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1C[C@@H]1C ZINC000665280277 412225249 /nfs/dbraw/zinc/22/52/49/412225249.db2.gz XSOGQHZCQNNQKY-OBXMVCJZSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1C[C@H]1C ZINC000665280278 412225444 /nfs/dbraw/zinc/22/54/44/412225444.db2.gz XSOGQHZCQNNQKY-OLBCXOKPSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H](NCC12CC(C1)C[NH2+]2)[C@@H]1C[C@H]1C ZINC000665280278 412225448 /nfs/dbraw/zinc/22/54/48/412225448.db2.gz XSOGQHZCQNNQKY-OLBCXOKPSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000665282165 412227419 /nfs/dbraw/zinc/22/74/19/412227419.db2.gz SCABOLDPWVCIBK-QJPTWQEYSA-N 1 3 214.353 1.374 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H](OC)C1 ZINC000665298485 412246779 /nfs/dbraw/zinc/24/67/79/412246779.db2.gz WWAGENOBAOBNPH-HBNTYKKESA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662818842 412309771 /nfs/dbraw/zinc/30/97/71/412309771.db2.gz BFGOTCWGSAASSF-NXEZZACHSA-N 1 3 247.342 1.145 20 0 BDADHO CC[C@H](C(=O)N(C)CC(C)(C)[NH3+])N(CC)CC ZINC000662845094 412320162 /nfs/dbraw/zinc/32/01/62/412320162.db2.gz KHWRXSKMYAIILI-LLVKDONJSA-N 1 3 243.395 1.303 20 0 BDADHO C[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000662966126 412357328 /nfs/dbraw/zinc/35/73/28/412357328.db2.gz PVMSDAOHOPOFCI-LLVKDONJSA-N 1 3 249.358 1.086 20 0 BDADHO CCn1cc(CN2CCC(CC[NH3+])CC2)cn1 ZINC000050540140 172162164 /nfs/dbraw/zinc/16/21/64/172162164.db2.gz AKRBBXOWYIWGJP-UHFFFAOYSA-N 1 3 236.363 1.464 20 0 BDADHO C[NH+](C)C(C)(C)CNC(=O)C1(N)CCCCC1 ZINC000040807213 172392992 /nfs/dbraw/zinc/39/29/92/172392992.db2.gz DNWDVACJULFKIG-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@](C)(O)CC1 ZINC000336543062 173051063 /nfs/dbraw/zinc/05/10/63/173051063.db2.gz FMLQYTZQVRCBPA-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@](C)(O)CC1 ZINC000336543062 173051064 /nfs/dbraw/zinc/05/10/64/173051064.db2.gz FMLQYTZQVRCBPA-KBPBESRZSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@@H+]1CC[C@@H]2CCN(CCCn3ccnc3)[C@H]2C1 ZINC000375245508 173129767 /nfs/dbraw/zinc/12/97/67/173129767.db2.gz SGBCRBHXJULABQ-KGLIPLIRSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@@H]2CCN(CCCn3ccnc3)[C@H]2C1 ZINC000375245508 173129768 /nfs/dbraw/zinc/12/97/68/173129768.db2.gz SGBCRBHXJULABQ-KGLIPLIRSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@@H+]1CC[C@@H]2CCN(CCCn3ccnc3)[C@@H]2C1 ZINC000375245510 173129932 /nfs/dbraw/zinc/12/99/32/173129932.db2.gz SGBCRBHXJULABQ-ZIAGYGMSSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@@H]2CCN(CCCn3ccnc3)[C@@H]2C1 ZINC000375245510 173129933 /nfs/dbraw/zinc/12/99/33/173129933.db2.gz SGBCRBHXJULABQ-ZIAGYGMSSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@@H+]1CC[C@H](NCCN2CCC2)[C@H]2CCC[C@H]21 ZINC000353640279 173153250 /nfs/dbraw/zinc/15/32/50/173153250.db2.gz BYDQQCAFTLHADS-HZSPNIEDSA-N 1 3 237.391 1.155 20 0 BDADHO C[N@H+]1CC[C@H](NCCN2CCC2)[C@H]2CCC[C@H]21 ZINC000353640279 173153253 /nfs/dbraw/zinc/15/32/53/173153253.db2.gz BYDQQCAFTLHADS-HZSPNIEDSA-N 1 3 237.391 1.155 20 0 BDADHO C[N@@H+]1CC[C@H]2CCN(CCCn3ccnc3)[C@@H]2C1 ZINC000375245509 173159884 /nfs/dbraw/zinc/15/98/84/173159884.db2.gz SGBCRBHXJULABQ-UONOGXRCSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@H]2CCN(CCCn3ccnc3)[C@@H]2C1 ZINC000375245509 173159886 /nfs/dbraw/zinc/15/98/86/173159886.db2.gz SGBCRBHXJULABQ-UONOGXRCSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@]2(CC[N@H+](CCc3ccccn3)C2)C1 ZINC000292166362 173168317 /nfs/dbraw/zinc/16/83/17/173168317.db2.gz PDHLPKPGKMQLAD-HNNXBMFYSA-N 1 3 245.370 1.652 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](CCc3ccccn3)C2)C1 ZINC000292166362 173168319 /nfs/dbraw/zinc/16/83/19/173168319.db2.gz PDHLPKPGKMQLAD-HNNXBMFYSA-N 1 3 245.370 1.652 20 0 BDADHO C[NH2+]CC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000237236691 173330747 /nfs/dbraw/zinc/33/07/47/173330747.db2.gz MFCRGYMABFZZDB-ZDUSSCGKSA-N 1 3 249.358 1.145 20 0 BDADHO C[NH2+]CCCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000037610798 173344284 /nfs/dbraw/zinc/34/42/84/173344284.db2.gz NPUFSAMDBSQRDF-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000092133240 173363482 /nfs/dbraw/zinc/36/34/82/173363482.db2.gz FSIMQWRVXMPKFU-LLVKDONJSA-N 1 3 249.358 1.542 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCCOC2)C1 ZINC000250744786 173368324 /nfs/dbraw/zinc/36/83/24/173368324.db2.gz NQYSYHOCEJEYKG-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250744786 173368325 /nfs/dbraw/zinc/36/83/25/173368325.db2.gz NQYSYHOCEJEYKG-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250744786 173368326 /nfs/dbraw/zinc/36/83/26/173368326.db2.gz NQYSYHOCEJEYKG-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000375965856 173375738 /nfs/dbraw/zinc/37/57/38/173375738.db2.gz TZOOYNONUDPQCM-JTQLQIEISA-N 1 3 247.342 1.126 20 0 BDADHO C[NH2+]C[C@H]1CCCN([C@H](C)CCOC)C1 ZINC000045044520 173379042 /nfs/dbraw/zinc/37/90/42/173379042.db2.gz VCAIRZKDYJJCIL-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO COC1CC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)C1 ZINC000336763116 174018523 /nfs/dbraw/zinc/01/85/23/174018523.db2.gz LYZODQQINQNOAQ-CQLXCSJHSA-N 1 3 226.364 1.626 20 0 BDADHO COC1CC(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000336763116 174018524 /nfs/dbraw/zinc/01/85/24/174018524.db2.gz LYZODQQINQNOAQ-CQLXCSJHSA-N 1 3 226.364 1.626 20 0 BDADHO COCCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599845 174234541 /nfs/dbraw/zinc/23/45/41/174234541.db2.gz GRXZOJHLEXZNLE-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO COCCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369599845 174234544 /nfs/dbraw/zinc/23/45/44/174234544.db2.gz GRXZOJHLEXZNLE-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO COc1ccc([C@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000309343155 175188571 /nfs/dbraw/zinc/18/85/71/175188571.db2.gz LNSXJPADLLOVNN-MNOVXSKESA-N 1 3 222.332 1.941 20 0 BDADHO COc1ccc([C@H](C)NCCC[NH3+])cc1 ZINC000037713229 175188649 /nfs/dbraw/zinc/18/86/49/175188649.db2.gz DTKQRZHJUCQVLG-JTQLQIEISA-N 1 3 208.305 1.695 20 0 BDADHO COc1cccc([C@@H](C)NCCC[NH3+])c1 ZINC000037713234 175286473 /nfs/dbraw/zinc/28/64/73/175286473.db2.gz KRGSERPBJSBPSZ-SNVBAGLBSA-N 1 3 208.305 1.695 20 0 BDADHO COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)CN ZINC000336713155 175333956 /nfs/dbraw/zinc/33/39/56/175333956.db2.gz OFLDRIRUZXMPLC-NEPJUHHUSA-N 1 3 236.359 1.811 20 0 BDADHO COc1ccccc1C[C@H](C)NC[C@H](C)C[NH3+] ZINC000336713155 175333957 /nfs/dbraw/zinc/33/39/57/175333957.db2.gz OFLDRIRUZXMPLC-NEPJUHHUSA-N 1 3 236.359 1.811 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CCCCN1 ZINC000332644898 175928170 /nfs/dbraw/zinc/92/81/70/175928170.db2.gz SJHJZITWOZNBSS-KGYLQXTDSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](c1ccccn1)N1CCC(C[NH3+])CC1 ZINC000044512020 176028053 /nfs/dbraw/zinc/02/80/53/176028053.db2.gz MGZIJCKKVCJBKB-NSHDSACASA-N 1 3 219.332 1.813 20 0 BDADHO C[C@@H]1CCN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000336363471 176166077 /nfs/dbraw/zinc/16/60/77/176166077.db2.gz DULVOPPJNQKNIZ-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000128626291 176268188 /nfs/dbraw/zinc/26/81/88/176268188.db2.gz LDRCCSUBWPXCCT-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000353663275 176269575 /nfs/dbraw/zinc/26/95/75/176269575.db2.gz UEBMNZBGPLWAAI-UTUOFQBUSA-N 1 3 248.374 1.197 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CC(C)(C)O1 ZINC000251672314 176293719 /nfs/dbraw/zinc/29/37/19/176293719.db2.gz LRWULZNGZSAONH-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000061918603 176297898 /nfs/dbraw/zinc/29/78/98/176297898.db2.gz GZZXPBBUQKJQTN-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1COCC[N@H+](CCCN2CCCCC2)C1 ZINC000375254301 176332742 /nfs/dbraw/zinc/33/27/42/176332742.db2.gz YJRXNSGYWKBHEP-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO C[C@@H]1COCC[N@@H+](CCCN2CCCCC2)C1 ZINC000375254301 176332743 /nfs/dbraw/zinc/33/27/43/176332743.db2.gz YJRXNSGYWKBHEP-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCCNC2)C1 ZINC000251720081 176361414 /nfs/dbraw/zinc/36/14/14/176361414.db2.gz BZNDIWKLEZLXFA-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)CN(C)C ZINC000336737790 177233653 /nfs/dbraw/zinc/23/36/53/177233653.db2.gz JRNWDGQNTHPWOD-FRRDWIJNSA-N 1 3 227.396 1.114 20 0 BDADHO C[C@H]1CN(CCCCCC[NH3+])CCO1 ZINC000020072040 177248076 /nfs/dbraw/zinc/24/80/76/177248076.db2.gz NHHOKGTZTMXXSZ-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO C[C@@H]1C[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000235382329 177259878 /nfs/dbraw/zinc/25/98/78/177259878.db2.gz JLKIDSWYXTVNJX-NDBYEHHHSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000251581787 177302235 /nfs/dbraw/zinc/30/22/35/177302235.db2.gz FBMCHMWCWZBNHS-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1=CCCOC1 ZINC000348222940 177330412 /nfs/dbraw/zinc/33/04/12/177330412.db2.gz WSLQDOZHSFCYCA-MBNYWOFBSA-N 1 3 238.375 1.651 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1=CCCOC1 ZINC000348222940 177330414 /nfs/dbraw/zinc/33/04/14/177330414.db2.gz WSLQDOZHSFCYCA-MBNYWOFBSA-N 1 3 238.375 1.651 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOCC1CC1 ZINC000300409612 177332070 /nfs/dbraw/zinc/33/20/70/177332070.db2.gz AUISGBRQZWNARA-MBNYWOFBSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOCC1CC1 ZINC000300409612 177332071 /nfs/dbraw/zinc/33/20/71/177332071.db2.gz AUISGBRQZWNARA-MBNYWOFBSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H]1C[C@H](NCCCC[NH3+])c2nccn21 ZINC000345362098 177369064 /nfs/dbraw/zinc/36/90/64/177369064.db2.gz VDPHDCLJVOLIDB-UWVGGRQHSA-N 1 3 208.309 1.217 20 0 BDADHO C[C@H]1C[C@H](NCCNc2ccccn2)CC[N@@H+]1C ZINC000268996054 177369081 /nfs/dbraw/zinc/36/90/81/177369081.db2.gz NRGJTDSLZHJIJB-QWHCGFSZSA-N 1 3 248.374 1.566 20 0 BDADHO C[C@H]1C[C@H](NCCNc2ccccn2)CC[N@H+]1C ZINC000268996054 177369082 /nfs/dbraw/zinc/36/90/82/177369082.db2.gz NRGJTDSLZHJIJB-QWHCGFSZSA-N 1 3 248.374 1.566 20 0 BDADHO C[C@H]1CN(CCCc2cncn2C)CC[C@H]1[NH3+] ZINC000314012297 487656769 /nfs/dbraw/zinc/65/67/69/487656769.db2.gz NVYKCWYPSUMGSX-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1C[C@@H]1CCCCO1 ZINC000082594397 487687084 /nfs/dbraw/zinc/68/70/84/487687084.db2.gz CODWDSUDFZCFFS-OLZOCXBDSA-N 1 3 226.364 1.759 20 0 BDADHO Cc1cncc(CN2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000228619564 487695826 /nfs/dbraw/zinc/69/58/26/487695826.db2.gz LJPKMSLTVZIHCI-GFCCVEGCSA-N 1 3 233.359 1.949 20 0 BDADHO FCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088026320 487699729 /nfs/dbraw/zinc/69/97/29/487699729.db2.gz SOPUWIHJXOQWAU-RYUDHWBXSA-N 1 3 214.328 1.810 20 0 BDADHO C[C@H](CCN)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000136136996 487712124 /nfs/dbraw/zinc/71/21/24/487712124.db2.gz IZFXBBNIOQLDSR-VXGBXAGGSA-N 1 3 234.343 1.880 20 0 BDADHO C[C@H](CC[NH3+])NC[C@H]1CCOc2ccccc21 ZINC000136136996 487712130 /nfs/dbraw/zinc/71/21/30/487712130.db2.gz IZFXBBNIOQLDSR-VXGBXAGGSA-N 1 3 234.343 1.880 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](C)CN)C1 ZINC001172604057 974882419 /nfs/dbraw/zinc/88/24/19/974882419.db2.gz RLANPTHOCBWHRP-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)CN)C1 ZINC001172604057 974882420 /nfs/dbraw/zinc/88/24/20/974882420.db2.gz RLANPTHOCBWHRP-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H](N(C)C[C@@H](C)C[NH3+])C1 ZINC001172604057 974882423 /nfs/dbraw/zinc/88/24/23/974882423.db2.gz RLANPTHOCBWHRP-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000250682090 487738980 /nfs/dbraw/zinc/73/89/80/487738980.db2.gz YVIHUZFQQRTMJU-IJLUTSLNSA-N 1 3 212.337 1.415 20 0 BDADHO CO[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000223868718 487798489 /nfs/dbraw/zinc/79/84/89/487798489.db2.gz PILAFLIPZYKKBG-MXWKQRLJSA-N 1 3 200.326 1.128 20 0 BDADHO CCC[C@@H](C)N(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000309256098 487808693 /nfs/dbraw/zinc/80/86/93/487808693.db2.gz OGMNRBBAFKUGAK-OLZOCXBDSA-N 1 3 230.396 1.808 20 0 BDADHO CCC[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000309256098 487808695 /nfs/dbraw/zinc/80/86/95/487808695.db2.gz OGMNRBBAFKUGAK-OLZOCXBDSA-N 1 3 230.396 1.808 20 0 BDADHO Cc1ccc(C2CCN(CCC[NH3+])CC2)cn1 ZINC000414744650 487821564 /nfs/dbraw/zinc/82/15/64/487821564.db2.gz OQNAYNJKOCQAAP-UHFFFAOYSA-N 1 3 233.359 1.918 20 0 BDADHO [NH3+]CCCNCCOc1ncccc1Cl ZINC000415082231 487836409 /nfs/dbraw/zinc/83/64/09/487836409.db2.gz CUSKMZOLPICMEV-UHFFFAOYSA-N 1 3 229.711 1.052 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030006 588442348 /nfs/dbraw/zinc/44/23/48/588442348.db2.gz CLJOYGKJFYJLMF-UWVGGRQHSA-N 1 3 214.357 1.097 20 0 BDADHO COC[C@@H](C)CNC[C@H]1CCCC[NH2+]1 ZINC000234670329 487850590 /nfs/dbraw/zinc/85/05/90/487850590.db2.gz OAGRMNYCUIQDQG-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO [NH3+]CCCN1CCC([C@@H]2CCOC2)CC1 ZINC000666705193 487863149 /nfs/dbraw/zinc/86/31/49/487863149.db2.gz KADMRYOFHIKCND-GFCCVEGCSA-N 1 3 212.337 1.084 20 0 BDADHO Cc1ccncc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666954414 487892567 /nfs/dbraw/zinc/89/25/67/487892567.db2.gz WFDQRFUWPVSUTL-ZDUSSCGKSA-N 1 3 231.343 1.622 20 0 BDADHO C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)[C@H]1CCN ZINC000404296088 487917467 /nfs/dbraw/zinc/91/74/67/487917467.db2.gz DAKVIQLEJWDDIF-RDBSUJKOSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)[C@H]1CCN ZINC000404296088 487917470 /nfs/dbraw/zinc/91/74/70/487917470.db2.gz DAKVIQLEJWDDIF-RDBSUJKOSA-N 1 3 240.391 1.862 20 0 BDADHO COCC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404296311 487917076 /nfs/dbraw/zinc/91/70/76/487917076.db2.gz NZYGJVJYSQZYJF-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404296311 487917081 /nfs/dbraw/zinc/91/70/81/487917081.db2.gz NZYGJVJYSQZYJF-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO COCCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404296311 487917084 /nfs/dbraw/zinc/91/70/84/487917084.db2.gz NZYGJVJYSQZYJF-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO CCOC[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995650 487924513 /nfs/dbraw/zinc/92/45/13/487924513.db2.gz VJJBDOIODONTIF-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO CCOC[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995650 487924518 /nfs/dbraw/zinc/92/45/18/487924518.db2.gz VJJBDOIODONTIF-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO FC1(F)C[C@]12CCN(C[C@H]1CC[NH2+]C1)C2 ZINC000652364255 487932562 /nfs/dbraw/zinc/93/25/62/487932562.db2.gz BMYWDYSCIZAHLC-UWVGGRQHSA-N 1 3 216.275 1.327 20 0 BDADHO CC(C)CCOCCN1CCC[C@H](C[NH3+])C1 ZINC000049266390 487944876 /nfs/dbraw/zinc/94/48/76/487944876.db2.gz JHFIHKPHDIKBAV-CYBMUJFWSA-N 1 3 228.380 1.720 20 0 BDADHO C[C@H]1C[C@@H](CO)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000561793725 323007050 /nfs/dbraw/zinc/00/70/50/323007050.db2.gz KADOROJGTGXWLV-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1C[C@@H](CO)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000561793725 323007051 /nfs/dbraw/zinc/00/70/51/323007051.db2.gz KADOROJGTGXWLV-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO CCC(C)(C)[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000562564978 323024677 /nfs/dbraw/zinc/02/46/77/323024677.db2.gz CWENJGGDRZJINT-GFCCVEGCSA-N 1 3 242.407 1.857 20 0 BDADHO O=C(CNC1CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000562805010 323031047 /nfs/dbraw/zinc/03/10/47/323031047.db2.gz QXDYILWHAHLUEC-UHFFFAOYSA-N 1 3 245.326 1.023 20 0 BDADHO CCc1ncc(C[NH2+]C[C@H]2CCCN(C)C2)cn1 ZINC000567141359 323129720 /nfs/dbraw/zinc/12/97/20/323129720.db2.gz XYILZJLZABJOJE-GFCCVEGCSA-N 1 3 248.374 1.470 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCC12CCOCC2 ZINC000563616185 323131546 /nfs/dbraw/zinc/13/15/46/323131546.db2.gz NYGSYTIBPQIJKI-AGIUHOORSA-N 1 3 238.375 1.533 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3cncn3c2)C1 ZINC000571225896 323138708 /nfs/dbraw/zinc/13/87/08/323138708.db2.gz DTNCPASGLWPPQV-CHWSQXEVSA-N 1 3 244.342 1.694 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000571582001 323148565 /nfs/dbraw/zinc/14/85/65/323148565.db2.gz WRGTWFGPFRXIJT-IJLUTSLNSA-N 1 3 234.347 1.127 20 0 BDADHO COC(=O)CCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397263379 323152476 /nfs/dbraw/zinc/15/24/76/323152476.db2.gz IECPHKZERVVSHC-WOPDTQHZSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)CCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397263379 323152477 /nfs/dbraw/zinc/15/24/77/323152477.db2.gz IECPHKZERVVSHC-WOPDTQHZSA-N 1 3 242.363 1.245 20 0 BDADHO CC(C)OC1CCC([NH2+][C@@H](C)C2CNC2)CC1 ZINC000530216235 323216937 /nfs/dbraw/zinc/21/69/37/323216937.db2.gz OLPUWQJNAUTGTJ-XGNXJENSSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H]([NH2+]CC[C@H]1CC=CCC1)C1CNC1 ZINC000530219925 324538529 /nfs/dbraw/zinc/53/85/29/324538529.db2.gz LHTMLUOYAJLJMU-NEPJUHHUSA-N 1 3 208.349 1.930 20 0 BDADHO CC[C@@H](C(=O)NCC[N@H+](CC)C(C)C)N(C)C ZINC000131457186 325153449 /nfs/dbraw/zinc/15/34/49/325153449.db2.gz KTUOTOKMIGCBNA-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@@H](C(=O)NCC[N@@H+](CC)C(C)C)N(C)C ZINC000131457186 325153450 /nfs/dbraw/zinc/15/34/50/325153450.db2.gz KTUOTOKMIGCBNA-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO C[C@@H]1[C@H](C)SCCN1C[C@@H]1CC[NH2+]C1 ZINC000158590658 487967831 /nfs/dbraw/zinc/96/78/31/487967831.db2.gz CCSVXVCDJIGQOH-OUAUKWLOSA-N 1 3 214.378 1.422 20 0 BDADHO CC1(C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)CC1 ZINC000566230219 326019218 /nfs/dbraw/zinc/01/92/18/326019218.db2.gz SFMNSUJGVXYHCC-LBPRGKRZSA-N 1 3 238.375 1.474 20 0 BDADHO CC1(C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)CC1 ZINC000566230219 326019220 /nfs/dbraw/zinc/01/92/20/326019220.db2.gz SFMNSUJGVXYHCC-LBPRGKRZSA-N 1 3 238.375 1.474 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566481542 326055834 /nfs/dbraw/zinc/05/58/34/326055834.db2.gz IJQGSRAJXPQXNK-GKBWCTFZSA-N 1 3 212.337 1.173 20 0 BDADHO [NH3+]C1(CNC[C@H]2CCCC[C@H]2O)CCC1 ZINC000566743218 326079758 /nfs/dbraw/zinc/07/97/58/326079758.db2.gz PGWVXFADYGDPSW-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000567343970 326168087 /nfs/dbraw/zinc/16/80/87/326168087.db2.gz JJZSUSUPUMKNFH-VXGBXAGGSA-N 1 3 226.364 1.391 20 0 BDADHO C1CC2(CCOCC2)[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000567654310 326239295 /nfs/dbraw/zinc/23/92/95/326239295.db2.gz XVESFSVTBMBPMV-NWDGAFQWSA-N 1 3 224.348 1.287 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000156735626 326241191 /nfs/dbraw/zinc/24/11/91/326241191.db2.gz JCHJREHFLYAOLI-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCC2(CCO)CC2)C1 ZINC000156735626 326241192 /nfs/dbraw/zinc/24/11/92/326241192.db2.gz JCHJREHFLYAOLI-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000567893750 326278345 /nfs/dbraw/zinc/27/83/45/326278345.db2.gz TVBGNXKSBMZZJH-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCCc2ccccc2C1 ZINC000568050819 326300236 /nfs/dbraw/zinc/30/02/36/326300236.db2.gz HGZYKVCISPARFD-OAHLLOKOSA-N 1 3 248.370 1.405 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCCc2ccccc2C1 ZINC000568050819 326300239 /nfs/dbraw/zinc/30/02/39/326300239.db2.gz HGZYKVCISPARFD-OAHLLOKOSA-N 1 3 248.370 1.405 20 0 BDADHO CC(C)NCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000158608515 326331915 /nfs/dbraw/zinc/33/19/15/326331915.db2.gz ZSPCZZUQFOZIQG-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOCC2CCC2)C1 ZINC000568247188 326333895 /nfs/dbraw/zinc/33/38/95/326333895.db2.gz DSIXOKBLYRXENV-STQMWFEESA-N 1 3 226.364 1.663 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000568261433 326336790 /nfs/dbraw/zinc/33/67/90/326336790.db2.gz UMEMEEMSPWFOBP-STQMWFEESA-N 1 3 226.364 1.172 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000568261433 326336792 /nfs/dbraw/zinc/33/67/92/326336792.db2.gz UMEMEEMSPWFOBP-STQMWFEESA-N 1 3 226.364 1.172 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000568864491 326379841 /nfs/dbraw/zinc/37/98/41/326379841.db2.gz BGOBVPDEHHFTDY-GXFFZTMASA-N 1 3 247.342 1.390 20 0 BDADHO CCC[C@@H](C)CN1CCC([NH2+]CCO)CC1 ZINC000309586990 487990266 /nfs/dbraw/zinc/99/02/66/487990266.db2.gz SDZRCHFQOSBINZ-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CN(C)[C@@H](CNCCC[NH3+])c1ccccc1 ZINC000135260618 488023972 /nfs/dbraw/zinc/02/39/72/488023972.db2.gz FDEJWJRMFXJZSN-ZDUSSCGKSA-N 1 3 221.348 1.228 20 0 BDADHO O[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000682717718 488025045 /nfs/dbraw/zinc/02/50/45/488025045.db2.gz YNKOETKRZPBNII-MGPQQGTHSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000663497470 488046460 /nfs/dbraw/zinc/04/64/60/488046460.db2.gz GBVZVIVQBNZPEL-CQLXCSJHSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CCCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000663497470 488046465 /nfs/dbraw/zinc/04/64/65/488046465.db2.gz GBVZVIVQBNZPEL-CQLXCSJHSA-N 1 3 208.349 1.907 20 0 BDADHO CN(C)CC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000084479610 488053626 /nfs/dbraw/zinc/05/36/26/488053626.db2.gz YGEKMKXZXKXZGF-LLVKDONJSA-N 1 3 213.369 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000084479610 488053629 /nfs/dbraw/zinc/05/36/29/488053629.db2.gz YGEKMKXZXKXZGF-LLVKDONJSA-N 1 3 213.369 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000084479610 488053632 /nfs/dbraw/zinc/05/36/32/488053632.db2.gz YGEKMKXZXKXZGF-LLVKDONJSA-N 1 3 213.369 1.010 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000401942283 488073572 /nfs/dbraw/zinc/07/35/72/488073572.db2.gz TXMRYSZHJXVYIO-JHJVBQTASA-N 1 3 226.364 1.663 20 0 BDADHO CC(C)(C)NCC[NH2+][C@@H](CO)C(C)(C)C ZINC000393974656 488092500 /nfs/dbraw/zinc/09/25/00/488092500.db2.gz SUQXVXGRWAWTMM-JTQLQIEISA-N 1 3 216.369 1.371 20 0 BDADHO Cc1cncc(CCN[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000402844339 488103844 /nfs/dbraw/zinc/10/38/44/488103844.db2.gz PYHIVCZISGXSMR-OLZOCXBDSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cncc(CCN[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000402844339 488103846 /nfs/dbraw/zinc/10/38/46/488103846.db2.gz PYHIVCZISGXSMR-OLZOCXBDSA-N 1 3 248.374 1.400 20 0 BDADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000669508423 488108977 /nfs/dbraw/zinc/10/89/77/488108977.db2.gz WMGNESODXITJRY-QWHCGFSZSA-N 1 3 247.342 1.472 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@H](N)CC(C)C)c1 ZINC000669509181 488110968 /nfs/dbraw/zinc/11/09/68/488110968.db2.gz CUNXTXCFZHWQJI-CYBMUJFWSA-N 1 3 249.358 1.718 20 0 BDADHO CN(C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC([NH3+])C1 ZINC000403086361 488113955 /nfs/dbraw/zinc/11/39/55/488113955.db2.gz QEWOIMZTXJGTJF-HXFVIYLFSA-N 1 3 208.349 1.844 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C1CC1 ZINC000381031906 487493251 /nfs/dbraw/zinc/49/32/51/487493251.db2.gz DMAPIFOYUSIELJ-AAEUAGOBSA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C1CC1 ZINC000381031906 487493255 /nfs/dbraw/zinc/49/32/55/487493255.db2.gz DMAPIFOYUSIELJ-AAEUAGOBSA-N 1 3 228.380 1.418 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCSC1)C2 ZINC000381372717 487506327 /nfs/dbraw/zinc/50/63/27/487506327.db2.gz IBLKMFFNHQFRKB-AVGNSLFASA-N 1 3 240.416 1.800 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCSC1)C2 ZINC000381372717 487506333 /nfs/dbraw/zinc/50/63/33/487506333.db2.gz IBLKMFFNHQFRKB-AVGNSLFASA-N 1 3 240.416 1.800 20 0 BDADHO Cc1csc(CCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000086404117 487500848 /nfs/dbraw/zinc/50/08/48/487500848.db2.gz NIQUAPMBFMVWSY-MNOVXSKESA-N 1 3 239.388 1.854 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086403869 487500980 /nfs/dbraw/zinc/50/09/80/487500980.db2.gz PQTNUWWZXNPSCJ-OUAUKWLOSA-N 1 3 200.326 1.128 20 0 BDADHO c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCCNCC1 ZINC000161788810 487519490 /nfs/dbraw/zinc/51/94/90/487519490.db2.gz VLPXINSQQWTUIL-CYBMUJFWSA-N 1 3 246.354 1.848 20 0 BDADHO c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCCNCC1 ZINC000161788810 487519492 /nfs/dbraw/zinc/51/94/92/487519492.db2.gz VLPXINSQQWTUIL-CYBMUJFWSA-N 1 3 246.354 1.848 20 0 BDADHO Cc1nc([C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)n[nH]1 ZINC000662273809 490045076 /nfs/dbraw/zinc/04/50/76/490045076.db2.gz PNSILRPHFWCOAW-ZMLRMANQSA-N 1 3 249.362 1.106 20 0 BDADHO COCC[C@@H](C)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000532291117 487603596 /nfs/dbraw/zinc/60/35/96/487603596.db2.gz HYHXUJUGUIIRMQ-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@@H](C)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000532291117 487603597 /nfs/dbraw/zinc/60/35/97/487603597.db2.gz HYHXUJUGUIIRMQ-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO COCC[C@@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000532291117 487603600 /nfs/dbraw/zinc/60/36/00/487603600.db2.gz HYHXUJUGUIIRMQ-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[NH+]1CCC(C)(CN[C@H]2CCn3ccnc32)CC1 ZINC000335916511 488200490 /nfs/dbraw/zinc/20/04/90/488200490.db2.gz UNTUMUPIGCASCE-LBPRGKRZSA-N 1 3 248.374 1.649 20 0 BDADHO [NH3+]CCCN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000415121861 490214881 /nfs/dbraw/zinc/21/48/81/490214881.db2.gz KYLFOKRPWZSZRP-STQMWFEESA-N 1 3 220.316 1.143 20 0 BDADHO COCC(C)(C)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396721985 490220527 /nfs/dbraw/zinc/22/05/27/490220527.db2.gz WNZVTHGMNSXTOY-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000228554416 490291266 /nfs/dbraw/zinc/29/12/66/490291266.db2.gz RUTHAICUCNWNGL-QWRGUYRKSA-N 1 3 214.378 1.471 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)[C@@H](C)CC)CC1 ZINC000305107785 490434864 /nfs/dbraw/zinc/43/48/64/490434864.db2.gz DOJPZVYUADANIU-JSGCOSHPSA-N 1 3 242.407 1.857 20 0 BDADHO CCSCC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000598681755 491084385 /nfs/dbraw/zinc/08/43/85/491084385.db2.gz JKUNRRRFXDDYGQ-GHMZBOCLSA-N 1 3 214.378 1.553 20 0 BDADHO CCSCC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000598681755 491084387 /nfs/dbraw/zinc/08/43/87/491084387.db2.gz JKUNRRRFXDDYGQ-GHMZBOCLSA-N 1 3 214.378 1.553 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](CC)NC ZINC000662399159 491099443 /nfs/dbraw/zinc/09/94/43/491099443.db2.gz NSKNVLHYZAERPN-LBPRGKRZSA-N 1 3 249.358 1.733 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000223894376 491116257 /nfs/dbraw/zinc/11/62/57/491116257.db2.gz YTTYLMAJYFGYSP-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO CC1(C[NH+]2CCC(N3CC[C@H](O)C3)CC2)CC1 ZINC000668739020 491133096 /nfs/dbraw/zinc/13/30/96/491133096.db2.gz IOEDNRKRENWGHQ-ZDUSSCGKSA-N 1 3 238.375 1.318 20 0 BDADHO C[C@H](N[C@H](CCO)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000400704975 533994167 /nfs/dbraw/zinc/99/41/67/533994167.db2.gz KRTRCZFLRYNUHE-SDDRHHMPSA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000848986600 582817792 /nfs/dbraw/zinc/81/77/92/582817792.db2.gz KUUHBHXVFSIBQX-MNOVXSKESA-N 1 3 226.368 1.383 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCOC1 ZINC000251285225 535062848 /nfs/dbraw/zinc/06/28/48/535062848.db2.gz FELMBQAYNXJPKN-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO CCN1CCC([NH2+]C[C@@H](C)N(C)C2CC2)CC1 ZINC000223240450 535474272 /nfs/dbraw/zinc/47/42/72/535474272.db2.gz UXADNPJJXPODDL-GFCCVEGCSA-N 1 3 239.407 1.543 20 0 BDADHO CCOCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036228490 535624724 /nfs/dbraw/zinc/62/47/24/535624724.db2.gz NQWIWTLMTWSASI-UHFFFAOYSA-N 1 3 249.358 1.677 20 0 BDADHO COCCCN(C)CC[C@H]([NH3+])C(C)C ZINC000227737462 536511519 /nfs/dbraw/zinc/51/15/19/536511519.db2.gz MLURDAFAXZQZDX-NSHDSACASA-N 1 3 202.342 1.328 20 0 BDADHO COCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494152 536894522 /nfs/dbraw/zinc/89/45/22/536894522.db2.gz VNEKBSMVTMNSOX-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000893888607 583244407 /nfs/dbraw/zinc/24/44/07/583244407.db2.gz KPRGVRGOJDUPGD-UPJWGTAASA-N 1 3 240.391 1.826 20 0 BDADHO [NH3+]C[C@H]1CCCN(CCC2SCCS2)C1 ZINC000853022944 588716571 /nfs/dbraw/zinc/71/65/71/588716571.db2.gz INTWYXZVIHADOR-SNVBAGLBSA-N 1 3 246.445 1.853 20 0 BDADHO [NH3+]C1(CNCCC2SCCS2)CCC1 ZINC000853023280 588716626 /nfs/dbraw/zinc/71/66/26/588716626.db2.gz RLKCRPFXDPFLAG-UHFFFAOYSA-N 1 3 232.418 1.654 20 0 BDADHO C[C@@H](CCO)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000853239285 588728143 /nfs/dbraw/zinc/72/81/43/588728143.db2.gz DKIUPTFSVDHRDD-GXTWGEPZSA-N 1 3 240.391 1.469 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H](O)c2ccccc21 ZINC000854229308 588781136 /nfs/dbraw/zinc/78/11/36/588781136.db2.gz KRPXOVJBXNYWOJ-HJPIBITLSA-N 1 3 246.354 1.882 20 0 BDADHO CC(C)[C@@H]1CC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000854226596 588780552 /nfs/dbraw/zinc/78/05/52/588780552.db2.gz IQZUQMOZMNUEBW-CMOBGSAGSA-N 1 3 208.349 1.763 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCC1SCCS1 ZINC000854231935 588781597 /nfs/dbraw/zinc/78/15/97/588781597.db2.gz POZWICSCLVWWAS-BDAKNGLRSA-N 1 3 232.418 1.652 20 0 BDADHO C[C@H](CNC(=[NH2+])NCC1CCC1)N1CCCC1 ZINC000848986579 582817247 /nfs/dbraw/zinc/81/72/47/582817247.db2.gz IMESVQQVCXJEDG-LLVKDONJSA-N 1 3 238.379 1.385 20 0 BDADHO CN(C)Cc1cccc(CNC(=[NH2+])N2CCC2)c1 ZINC000848991873 582819824 /nfs/dbraw/zinc/81/98/24/582819824.db2.gz NZWPUUPNNDHCCO-UHFFFAOYSA-N 1 3 246.358 1.478 20 0 BDADHO CC(C)[C@H](O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000878125202 583362194 /nfs/dbraw/zinc/36/21/94/583362194.db2.gz NVLUDHBEVPCPRL-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CC(C)[C@H](O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000878125202 583362195 /nfs/dbraw/zinc/36/21/95/583362195.db2.gz NVLUDHBEVPCPRL-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000894456891 583464897 /nfs/dbraw/zinc/46/48/97/583464897.db2.gz RPLLMDKLBSQFHD-VXGBXAGGSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)C[C@H](C)N1C ZINC000894639856 583498673 /nfs/dbraw/zinc/49/86/73/583498673.db2.gz SQPNQSVDXWZHII-BETUJISGSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)C[C@H](C)N1C ZINC000894639856 583498674 /nfs/dbraw/zinc/49/86/74/583498674.db2.gz SQPNQSVDXWZHII-BETUJISGSA-N 1 3 239.407 1.353 20 0 BDADHO COc1cccnc1CNCC1CC[NH+](C)CC1 ZINC000894776677 583518737 /nfs/dbraw/zinc/51/87/37/583518737.db2.gz AKLRDTWMFRWBIJ-UHFFFAOYSA-N 1 3 249.358 1.522 20 0 BDADHO C[NH+]1CCC([C@@H]2CCN(Cc3c[nH]cn3)C2)CC1 ZINC000894779582 583519782 /nfs/dbraw/zinc/51/97/82/583519782.db2.gz IXGOXVVZAFRKNT-CYBMUJFWSA-N 1 3 248.374 1.573 20 0 BDADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnc[nH]3)C2)CC1 ZINC000894779582 583519783 /nfs/dbraw/zinc/51/97/83/583519783.db2.gz IXGOXVVZAFRKNT-CYBMUJFWSA-N 1 3 248.374 1.573 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cn[nH]c32)C1 ZINC000857849395 588912381 /nfs/dbraw/zinc/91/23/81/588912381.db2.gz WSBHTPXJAHNNSM-WCQYABFASA-N 1 3 248.374 1.719 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cn[nH]c32)C1 ZINC000857849395 588912382 /nfs/dbraw/zinc/91/23/82/588912382.db2.gz WSBHTPXJAHNNSM-WCQYABFASA-N 1 3 248.374 1.719 20 0 BDADHO CC(C)O[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000895082412 583583647 /nfs/dbraw/zinc/58/36/47/583583647.db2.gz PQBLJEYXRWJSFV-CQSZACIVSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)O[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000895082412 583583649 /nfs/dbraw/zinc/58/36/49/583583649.db2.gz PQBLJEYXRWJSFV-CQSZACIVSA-N 1 3 240.391 1.828 20 0 BDADHO CC1=NO[C@H](C[NH2+]C2CCN(C(C)C)CC2)C1 ZINC000895307960 583648226 /nfs/dbraw/zinc/64/82/26/583648226.db2.gz VIZVCDVRBPZUCQ-ZDUSSCGKSA-N 1 3 239.363 1.614 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000895587296 583694286 /nfs/dbraw/zinc/69/42/86/583694286.db2.gz ODQXEUVDJAYESO-WCQYABFASA-N 1 3 242.363 1.260 20 0 BDADHO C[NH+]1CCC(CNCc2ccnc(F)c2)CC1 ZINC000858127940 588934741 /nfs/dbraw/zinc/93/47/41/588934741.db2.gz VNCWTKVNTUMQES-UHFFFAOYSA-N 1 3 237.322 1.652 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897818107 584050922 /nfs/dbraw/zinc/05/09/22/584050922.db2.gz FDOGGJZXWWICTD-UQAQGZBZSA-N 1 3 248.370 1.379 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897818107 584050924 /nfs/dbraw/zinc/05/09/24/584050924.db2.gz FDOGGJZXWWICTD-UQAQGZBZSA-N 1 3 248.370 1.379 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858430336 588953982 /nfs/dbraw/zinc/95/39/82/588953982.db2.gz UCTBLWZKKNBHQM-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858430336 588953983 /nfs/dbraw/zinc/95/39/83/588953983.db2.gz UCTBLWZKKNBHQM-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO CCN(CC)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902315329 584555599 /nfs/dbraw/zinc/55/55/99/584555599.db2.gz AHNJEJNVRXTGCJ-CYBMUJFWSA-N 1 3 241.423 1.696 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCCO2)C1 ZINC000902317408 584556428 /nfs/dbraw/zinc/55/64/28/584556428.db2.gz JWZJIGHOKIPJBD-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CCCCCCO)C1 ZINC000902372816 584566813 /nfs/dbraw/zinc/56/68/13/584566813.db2.gz ZXQRDGNBPQPBBL-ZDUSSCGKSA-N 1 3 242.407 1.907 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000902375190 584567407 /nfs/dbraw/zinc/56/74/07/584567407.db2.gz BEYZXKSPEJYMED-AGIUHOORSA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCC[C@@H]2O)C1 ZINC000902375190 584567409 /nfs/dbraw/zinc/56/74/09/584567409.db2.gz BEYZXKSPEJYMED-AGIUHOORSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)(CCO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902358711 584570453 /nfs/dbraw/zinc/57/04/53/584570453.db2.gz COAHEERJXSDWSN-LBPRGKRZSA-N 1 3 242.407 1.763 20 0 BDADHO COC[C@H](NCC1([NH3+])CC1)C1CCCC1 ZINC000902407067 584574176 /nfs/dbraw/zinc/57/41/76/584574176.db2.gz OXLROXYENSRUTB-NSHDSACASA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H](CN(C)C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384348 584577186 /nfs/dbraw/zinc/57/71/86/584577186.db2.gz JFAZJSYDJSTLLP-RYUDHWBXSA-N 1 3 227.396 1.304 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCC2(O)CCC2)C1 ZINC000902384382 584577616 /nfs/dbraw/zinc/57/76/16/584577616.db2.gz KOWQAUURHKJKSX-LBPRGKRZSA-N 1 3 240.391 1.659 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000902384382 584577618 /nfs/dbraw/zinc/57/76/18/584577618.db2.gz KOWQAUURHKJKSX-LBPRGKRZSA-N 1 3 240.391 1.659 20 0 BDADHO C[C@@H](O)CCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902385348 584578102 /nfs/dbraw/zinc/57/81/02/584578102.db2.gz ZUYNUWWMYKIEPH-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](O)CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385348 584578103 /nfs/dbraw/zinc/57/81/03/584578103.db2.gz ZUYNUWWMYKIEPH-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCc2cc(N)ccn2)C1 ZINC000902403872 584588276 /nfs/dbraw/zinc/58/82/76/584588276.db2.gz TWUOLKXVKPSTFR-LBPRGKRZSA-N 1 3 248.374 1.532 20 0 BDADHO CCC[C@H](O)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902404056 584589130 /nfs/dbraw/zinc/58/91/30/584589130.db2.gz ISPPLPSYMQRLJV-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902404056 584589131 /nfs/dbraw/zinc/58/91/31/584589131.db2.gz ISPPLPSYMQRLJV-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428341 584594902 /nfs/dbraw/zinc/59/49/02/584594902.db2.gz CEXPHKXXUFQPGP-XUXIUFHCSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CCC(C)(C)CO1)C1CNC1 ZINC000902432807 584595365 /nfs/dbraw/zinc/59/53/65/584595365.db2.gz YDTLYOOYVVKDHF-WCQYABFASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NCC[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902432807 584595366 /nfs/dbraw/zinc/59/53/66/584595366.db2.gz YDTLYOOYVVKDHF-WCQYABFASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436478 584596687 /nfs/dbraw/zinc/59/66/87/584596687.db2.gz YOTYBVWAEAJYLJ-RDBQEKCUSA-N 1 3 233.359 1.327 20 0 BDADHO COc1cc([C@H](C)[NH2+]CC2(N)CC2)ccc1F ZINC000902414235 584599484 /nfs/dbraw/zinc/59/94/84/584599484.db2.gz UBLPEEBWSGWDMK-VIFPVBQESA-N 1 3 238.306 1.976 20 0 BDADHO CC[C@H](NCC1([NH3+])CC1)C1(C(=O)OC)CCC1 ZINC000902414035 584599589 /nfs/dbraw/zinc/59/95/89/584599589.db2.gz QVWZOZRMPDNJCV-JTQLQIEISA-N 1 3 240.347 1.189 20 0 BDADHO [NH3+]C1(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000902413290 584599814 /nfs/dbraw/zinc/59/98/14/584599814.db2.gz JQEKYOFGLWMHGR-KXUCPTDWSA-N 1 3 244.429 1.447 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902451596 584607201 /nfs/dbraw/zinc/60/72/01/584607201.db2.gz GZBSTMPHOLHZAC-LHWOPQQMSA-N 1 3 236.359 1.269 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902454402 584608829 /nfs/dbraw/zinc/60/88/29/584608829.db2.gz HKIQPWNXCVHMFL-IEECTRCBSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902454404 584608959 /nfs/dbraw/zinc/60/89/59/584608959.db2.gz HKIQPWNXCVHMFL-PJSNJIKXSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]([NH2+]C[C@]12C[C@H]1COC21CCC1)C1CNC1 ZINC000902462666 584612256 /nfs/dbraw/zinc/61/22/56/584612256.db2.gz XECXGDNEJVLRTA-KGYLQXTDSA-N 1 3 236.359 1.143 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000902511465 584623159 /nfs/dbraw/zinc/62/31/59/584623159.db2.gz FBOQVZRVOSZRCJ-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000902511465 584623161 /nfs/dbraw/zinc/62/31/61/584623161.db2.gz FBOQVZRVOSZRCJ-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000902513895 584629323 /nfs/dbraw/zinc/62/93/23/584629323.db2.gz PESVUIRWWLEFFD-UONOGXRCSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000902513895 584629325 /nfs/dbraw/zinc/62/93/25/584629325.db2.gz PESVUIRWWLEFFD-UONOGXRCSA-N 1 3 233.359 1.650 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902518472 584630930 /nfs/dbraw/zinc/63/09/30/584630930.db2.gz LORNUGCUWMGXBQ-CJYSPXJISA-N 1 3 246.354 1.375 20 0 BDADHO OCCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158494 584731320 /nfs/dbraw/zinc/73/13/20/584731320.db2.gz JBXZJCBGGKNKLF-QXMXGUDHSA-N 1 3 238.375 1.506 20 0 BDADHO OCCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158494 584731322 /nfs/dbraw/zinc/73/13/22/584731322.db2.gz JBXZJCBGGKNKLF-QXMXGUDHSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903184360 584733424 /nfs/dbraw/zinc/73/34/24/584733424.db2.gz WCTGHAIILVOMAI-VALPQFTMSA-N 1 3 236.359 1.257 20 0 BDADHO O[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903184360 584733425 /nfs/dbraw/zinc/73/34/25/584733425.db2.gz WCTGHAIILVOMAI-VALPQFTMSA-N 1 3 236.359 1.257 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000903316797 584750283 /nfs/dbraw/zinc/75/02/83/584750283.db2.gz HWCZGOKGEAXRMM-AAVRWANBSA-N 1 3 237.391 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000903316797 584750285 /nfs/dbraw/zinc/75/02/85/584750285.db2.gz HWCZGOKGEAXRMM-AAVRWANBSA-N 1 3 237.391 1.153 20 0 BDADHO CCCCCN(CCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903429991 584761771 /nfs/dbraw/zinc/76/17/71/584761771.db2.gz MPAJXKCDHDRLSW-OLZOCXBDSA-N 1 3 228.380 1.326 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCNCc3ccccc32)C1 ZINC000903422383 584764270 /nfs/dbraw/zinc/76/42/70/584764270.db2.gz BBLTXPQQBZXZBC-GXTWGEPZSA-N 1 3 245.370 1.724 20 0 BDADHO C[C@@H](CO)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903461227 584766345 /nfs/dbraw/zinc/76/63/45/584766345.db2.gz QASALLPQUUQYRL-DYEKYZERSA-N 1 3 240.391 1.182 20 0 BDADHO CCN1C[C@@H](C)N(C[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000903454397 584773439 /nfs/dbraw/zinc/77/34/39/584773439.db2.gz BIMBVPSJVNRTKE-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO Cn1cncc1CCCN[C@H]1CC[NH2+]C12CCC2 ZINC000903472986 584776144 /nfs/dbraw/zinc/77/61/44/584776144.db2.gz YKOBFYUFQVLIFY-ZDUSSCGKSA-N 1 3 248.374 1.227 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000903472932 584776383 /nfs/dbraw/zinc/77/63/83/584776383.db2.gz XDWTWHUTAWVCLC-TUAOUCFPSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@H]1CC[NH3+] ZINC000903498898 584779941 /nfs/dbraw/zinc/77/99/41/584779941.db2.gz NKVGOZCAGZIOSS-VXGBXAGGSA-N 1 3 248.374 1.246 20 0 BDADHO OCCCN(C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903730456 584792769 /nfs/dbraw/zinc/79/27/69/584792769.db2.gz WMMUVALEQFKUNZ-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO COC(=O)[C@@H](C)CN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903752911 584795997 /nfs/dbraw/zinc/79/59/97/584795997.db2.gz PZVQODPPLDHYHU-NWDGAFQWSA-N 1 3 242.363 1.117 20 0 BDADHO CN(CCCF)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903784223 584800335 /nfs/dbraw/zinc/80/03/35/584800335.db2.gz LXUXCRAZVARDHB-NEPJUHHUSA-N 1 3 230.327 1.046 20 0 BDADHO COCCCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903855292 584809200 /nfs/dbraw/zinc/80/92/00/584809200.db2.gz MJNAPBMVCDNBJU-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO CCC[C@@](C)(CO)NC[C@@H]([NH3+])CC(F)F ZINC000903898366 584819509 /nfs/dbraw/zinc/81/95/09/584819509.db2.gz KHODSSBXUOZEMZ-WPRPVWTQSA-N 1 3 224.295 1.110 20 0 BDADHO CC[C@H](C)NCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903925838 584823653 /nfs/dbraw/zinc/82/36/53/584823653.db2.gz HSRLMXPPVXWRKV-QWRGUYRKSA-N 1 3 237.351 1.091 20 0 BDADHO CC[C@H](NC[C@@H]([NH3+])CC(F)F)[C@@H]1CCCO1 ZINC000903923361 584823673 /nfs/dbraw/zinc/82/36/73/584823673.db2.gz RRPCCWOLHVBRSI-GUBZILKMSA-N 1 3 236.306 1.516 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@@H]([NH3+])CC(F)F ZINC000903923158 584823712 /nfs/dbraw/zinc/82/37/12/584823712.db2.gz MYWQJDHDNJRPNR-VHSXEESVSA-N 1 3 238.322 1.356 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+]C[C@H](N)CC(F)F ZINC000903923143 584823912 /nfs/dbraw/zinc/82/39/12/584823912.db2.gz MNHOASYSHNPUSF-GHMZBOCLSA-N 1 3 249.349 1.433 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]([NH3+])CC(F)F)[C@@H](C)O1 ZINC000903935045 584825456 /nfs/dbraw/zinc/82/54/56/584825456.db2.gz LGWAMXBTZZJJEL-HXFLIBJXSA-N 1 3 222.279 1.124 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+]CCC(C)(C)N)CCO1 ZINC000903938713 584826220 /nfs/dbraw/zinc/82/62/20/584826220.db2.gz IBBKDROAULCRSO-NWDGAFQWSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)[C@H]1C[C@@H](NCCC(C)(C)[NH3+])CCO1 ZINC000903938713 584826221 /nfs/dbraw/zinc/82/62/21/584826221.db2.gz IBBKDROAULCRSO-NWDGAFQWSA-N 1 3 228.380 1.907 20 0 BDADHO Cn1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)c1 ZINC000903958003 584827610 /nfs/dbraw/zinc/82/76/10/584827610.db2.gz VNXFJPOBJVVWFZ-LLVKDONJSA-N 1 3 243.301 1.360 20 0 BDADHO COC(=O)C1CCC([NH2+]CCC(C)(C)N)CC1 ZINC000903939676 584828931 /nfs/dbraw/zinc/82/89/31/584828931.db2.gz LANPONIHJLNKTD-UHFFFAOYSA-N 1 3 242.363 1.435 20 0 BDADHO COC(=O)[C@@H](C)CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311818 584862680 /nfs/dbraw/zinc/86/26/80/584862680.db2.gz HTQVNNHHQXBCQO-WCQYABFASA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@@H](C)C[N@H+](C)C[C@]1(C)CCCNC1 ZINC000904311818 584862682 /nfs/dbraw/zinc/86/26/82/584862682.db2.gz HTQVNNHHQXBCQO-WCQYABFASA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@@H](C)C[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000904311818 584862684 /nfs/dbraw/zinc/86/26/84/584862684.db2.gz HTQVNNHHQXBCQO-WCQYABFASA-N 1 3 242.363 1.117 20 0 BDADHO Cc1cc([C@@H]2CCCN2C[C@H]2C[C@@H]([NH3+])C2)on1 ZINC000904312747 584863284 /nfs/dbraw/zinc/86/32/84/584863284.db2.gz SDDKBMSEIBGLLG-TUAOUCFPSA-N 1 3 235.331 1.857 20 0 BDADHO COc1ccc2c(c1)CN(C[C@H]1C[C@@H]([NH3+])C1)CC2 ZINC000904314243 584863618 /nfs/dbraw/zinc/86/36/18/584863618.db2.gz UUYISZORWZUQOD-VDISTLRHSA-N 1 3 246.354 1.791 20 0 BDADHO C[C@H](O)[C@H]1CC[N@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904331753 584865777 /nfs/dbraw/zinc/86/57/77/584865777.db2.gz LHPOSULYCINRKK-RWMBFGLXSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](O)[C@H]1CC[N@@H+](C[C@H](N)CCC(C)(C)C)C1 ZINC000904331753 584865779 /nfs/dbraw/zinc/86/57/79/584865779.db2.gz LHPOSULYCINRKK-RWMBFGLXSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](O)C(C)(C)NC[C@@H]([NH3+])CCC(C)(C)C ZINC000904330079 584865869 /nfs/dbraw/zinc/86/58/69/584865869.db2.gz YLRWVBZAYZTLOC-QWRGUYRKSA-N 1 3 230.396 1.889 20 0 BDADHO COC(=O)[C@H]1CCCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332884 584866154 /nfs/dbraw/zinc/86/61/54/584866154.db2.gz SHRMZEMWSFAMRM-GRYCIOLGSA-N 1 3 240.347 1.141 20 0 BDADHO CN(CCCCCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904341968 584867006 /nfs/dbraw/zinc/86/70/06/584867006.db2.gz SMGIUPXAIJPWCD-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO C[N@H+](CCCCCO)C[C@@]1(C)CCCNC1 ZINC000904341968 584867007 /nfs/dbraw/zinc/86/70/07/584867007.db2.gz SMGIUPXAIJPWCD-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO C[N@@H+](CCCCCO)C[C@@]1(C)CCCNC1 ZINC000904341968 584867008 /nfs/dbraw/zinc/86/70/08/584867008.db2.gz SMGIUPXAIJPWCD-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@H]1O ZINC000904341481 584867543 /nfs/dbraw/zinc/86/75/43/584867543.db2.gz RWKLUHKDQLUERY-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)CC[C@H]1O ZINC000904341481 584867544 /nfs/dbraw/zinc/86/75/44/584867544.db2.gz RWKLUHKDQLUERY-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)CC[C@H]1O ZINC000904341481 584867545 /nfs/dbraw/zinc/86/75/45/584867545.db2.gz RWKLUHKDQLUERY-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO [NH3+]C[C@@H]1CC[C@@H](NCc2nccn2C2CC2)C1 ZINC000904355362 584870766 /nfs/dbraw/zinc/87/07/66/584870766.db2.gz QTISNDZILUFHNX-GHMZBOCLSA-N 1 3 234.347 1.435 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+]C1(CO)CC1 ZINC000904361206 584872054 /nfs/dbraw/zinc/87/20/54/584872054.db2.gz XZUBVRFEMRGWDH-SNVBAGLBSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@]1(C[NH2+]CCCn2ccnc2)CCCNC1 ZINC000904367504 584872631 /nfs/dbraw/zinc/87/26/31/584872631.db2.gz DAOYNLLTTPCRGZ-CYBMUJFWSA-N 1 3 236.363 1.253 20 0 BDADHO C[C@H](NC1CC(C[NH3+])C1)c1ccccn1 ZINC000904367806 584872932 /nfs/dbraw/zinc/87/29/32/584872932.db2.gz JTLPISRWHWXPNA-WHXUTIOJSA-N 1 3 205.305 1.470 20 0 BDADHO CN(CCCCCC[NH3+])Cc1ccc(N)nn1 ZINC000904383836 584877551 /nfs/dbraw/zinc/87/75/51/584877551.db2.gz FNWUVPWLTWFLQI-UHFFFAOYSA-N 1 3 237.351 1.010 20 0 BDADHO [NH3+]CC1CC(NCc2cc(C3CC3)no2)C1 ZINC000904386295 584877722 /nfs/dbraw/zinc/87/77/22/584877722.db2.gz VQWFKDNHTZSLPV-UHFFFAOYSA-N 1 3 221.304 1.379 20 0 BDADHO C[C@@H]1CN(CC2(F)CC2)CC[C@H]1C[NH3+] ZINC000904409746 584878994 /nfs/dbraw/zinc/87/89/94/584878994.db2.gz HMDWKTTZKSMIMH-ZJUUUORDSA-N 1 3 200.301 1.405 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412927 584879996 /nfs/dbraw/zinc/87/99/96/584879996.db2.gz ZKDVZUGUQGZCPL-CMPLNLGQSA-N 1 3 249.358 1.512 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC000904412927 584879998 /nfs/dbraw/zinc/87/99/98/584879998.db2.gz ZKDVZUGUQGZCPL-CMPLNLGQSA-N 1 3 249.358 1.512 20 0 BDADHO C([C@@H]1CCSC1)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420509 584882157 /nfs/dbraw/zinc/88/21/57/584882157.db2.gz RBEIZCVXEMCOCY-SDDRHHMPSA-N 1 3 226.389 1.281 20 0 BDADHO C([C@@H]1CCSC1)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420509 584882158 /nfs/dbraw/zinc/88/21/58/584882158.db2.gz RBEIZCVXEMCOCY-SDDRHHMPSA-N 1 3 226.389 1.281 20 0 BDADHO CC(C)[C@H](C[NH+](C)C)NC(=O)CN(C)C(C)C ZINC000733163712 584943862 /nfs/dbraw/zinc/94/38/62/584943862.db2.gz HGYRTOGXVNSISL-LBPRGKRZSA-N 1 3 243.395 1.029 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000361674982 585025144 /nfs/dbraw/zinc/02/51/44/585025144.db2.gz JBCWAYDKFXECLB-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000361674982 585025145 /nfs/dbraw/zinc/02/51/45/585025145.db2.gz JBCWAYDKFXECLB-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886830621 585181051 /nfs/dbraw/zinc/18/10/51/585181051.db2.gz VEBGOQKZNVYOEL-RFQIPJPRSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886830621 585181052 /nfs/dbraw/zinc/18/10/52/585181052.db2.gz VEBGOQKZNVYOEL-RFQIPJPRSA-N 1 3 238.375 1.472 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886839582 585182844 /nfs/dbraw/zinc/18/28/44/585182844.db2.gz HWYKUZDCSAPKRT-AVGNSLFASA-N 1 3 240.391 1.907 20 0 BDADHO CN(CCO)Cc1ccc(C[NH+](C)C)cc1 ZINC000768136700 585532866 /nfs/dbraw/zinc/53/28/66/585532866.db2.gz CDDQEFIIELTBBO-UHFFFAOYSA-N 1 3 222.332 1.172 20 0 BDADHO CN(CCN(C)C1CC1)CC[NH+]1CCCC1 ZINC000770684283 585579783 /nfs/dbraw/zinc/57/97/83/585579783.db2.gz BIDXYLXNVDTEJJ-UHFFFAOYSA-N 1 3 225.380 1.108 20 0 BDADHO C[C@@H]1[C@@H](C)N(CC[NH+]2CCCC2)CCN1C ZINC000771458167 585594764 /nfs/dbraw/zinc/59/47/64/585594764.db2.gz CZBPWWOVAGVOTF-CHWSQXEVSA-N 1 3 225.380 1.107 20 0 BDADHO COC1CC[NH+](CC2CCN(C)CC2)CC1 ZINC000788471914 585925191 /nfs/dbraw/zinc/92/51/91/585925191.db2.gz WXKIKAATYVKWOR-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000788489124 585925580 /nfs/dbraw/zinc/92/55/80/585925580.db2.gz VOHDITQIOJLIKC-AWEZNQCLSA-N 1 3 238.375 1.441 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000788489124 585925581 /nfs/dbraw/zinc/92/55/81/585925581.db2.gz VOHDITQIOJLIKC-AWEZNQCLSA-N 1 3 238.375 1.441 20 0 BDADHO CC[C@](C)(CC(=O)OC)NC[C@H]1CCC[NH2+]C1 ZINC000843069837 585943870 /nfs/dbraw/zinc/94/38/70/585943870.db2.gz STCHYEOAALNZCV-WCQYABFASA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CCCNC1 ZINC000843069837 585943871 /nfs/dbraw/zinc/94/38/71/585943871.db2.gz STCHYEOAALNZCV-WCQYABFASA-N 1 3 242.363 1.307 20 0 BDADHO CCN1CCN(CC[NH+]2CCCC2)[C@H](C)C1 ZINC000796315631 586100392 /nfs/dbraw/zinc/10/03/92/586100392.db2.gz JFPUIZOMZSVTHD-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO C[C@@H](O)c1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893551 586832448 /nfs/dbraw/zinc/83/24/48/586832448.db2.gz GWKQEXWRTKFTCK-SDDRHHMPSA-N 1 3 236.359 1.955 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1COc2ccccc2C1 ZINC000817892646 586833461 /nfs/dbraw/zinc/83/34/61/586833461.db2.gz VWFSFBNPLMNDDX-RWMBFGLXSA-N 1 3 248.370 1.953 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000817893314 586833639 /nfs/dbraw/zinc/83/36/39/586833639.db2.gz RBFMTAFRCZXUAQ-SGMGOOAPSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)c1ccc(F)cc1 ZINC000817901545 586835895 /nfs/dbraw/zinc/83/58/95/586835895.db2.gz WTZQFJKOPBZGBH-OPQQBVKSSA-N 1 3 240.322 1.575 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901479 586836088 /nfs/dbraw/zinc/83/60/88/586836088.db2.gz WJSJJCPPFBXZBD-STQMWFEESA-N 1 3 219.332 1.568 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000817905125 586837269 /nfs/dbraw/zinc/83/72/69/586837269.db2.gz BLBQBPHBYIMWIB-RWMBFGLXSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@](C)(O)c1ccsc1 ZINC000817913929 586839838 /nfs/dbraw/zinc/83/98/38/586839838.db2.gz RLZLJWQBOZDVDG-HOSYDEDBSA-N 1 3 242.388 1.671 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817926669 586841571 /nfs/dbraw/zinc/84/15/71/586841571.db2.gz RBFMTAFRCZXUAQ-DYEKYZERSA-N 1 3 236.359 1.744 20 0 BDADHO CCc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000817928928 586842666 /nfs/dbraw/zinc/84/26/66/586842666.db2.gz IJZXWWPKRMZZBP-QLFBSQMISA-N 1 3 248.370 1.752 20 0 BDADHO C(N[C@@H]1CC[C@H]1C1CC1)[C@H]1CCCC[NH2+]1 ZINC000817949630 586847187 /nfs/dbraw/zinc/84/71/87/586847187.db2.gz LCQKKHUJDAVYSL-FRRDWIJNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000817962651 586852629 /nfs/dbraw/zinc/85/26/29/586852629.db2.gz MZNCAFZJRURVSV-MNOVXSKESA-N 1 3 234.343 1.867 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc2c(c1)CCO2 ZINC000817962652 586853030 /nfs/dbraw/zinc/85/30/30/586853030.db2.gz MZNCAFZJRURVSV-QWRGUYRKSA-N 1 3 234.343 1.867 20 0 BDADHO C[C@@H](CCNC[C@@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231511 586941019 /nfs/dbraw/zinc/94/10/19/586941019.db2.gz XNUZXQUTSVUHQD-GXTWGEPZSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H](CC[NH2+]C[C@@H](O)C1CC1)N1CCCCC1 ZINC000819231511 586941020 /nfs/dbraw/zinc/94/10/20/586941020.db2.gz XNUZXQUTSVUHQD-GXTWGEPZSA-N 1 3 240.391 1.611 20 0 BDADHO CCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000830028103 587532506 /nfs/dbraw/zinc/53/25/06/587532506.db2.gz DZMQGRGYRWLYAV-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000830028103 587532507 /nfs/dbraw/zinc/53/25/07/587532507.db2.gz DZMQGRGYRWLYAV-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CCCCCCN(C)CC(=O)NCC[C@H](C)[NH3+] ZINC000832565346 587667259 /nfs/dbraw/zinc/66/72/59/587667259.db2.gz NLUSSDRGRFKCIG-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CCOC[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000841032167 587937210 /nfs/dbraw/zinc/93/72/10/587937210.db2.gz NTOYAXSTKFLLCE-GFCCVEGCSA-N 1 3 236.359 1.702 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCNCC2)CCO1 ZINC000841057125 587940541 /nfs/dbraw/zinc/94/05/41/587940541.db2.gz ILTKIMOAJSQPFK-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841076940 587943827 /nfs/dbraw/zinc/94/38/27/587943827.db2.gz UHOASAODHHDFAJ-HHKYUTTNSA-N 1 3 246.445 1.691 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841076938 587944130 /nfs/dbraw/zinc/94/41/30/587944130.db2.gz UHOASAODHHDFAJ-DAWVFNFOSA-N 1 3 246.445 1.691 20 0 BDADHO c1ccc([C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000843113925 588082309 /nfs/dbraw/zinc/08/23/09/588082309.db2.gz BOCOUEUZNCGUQY-KGLIPLIRSA-N 1 3 245.370 1.871 20 0 BDADHO Cn1ncc(Cl)c1CNCCCCCC[NH3+] ZINC000843129919 588085790 /nfs/dbraw/zinc/08/57/90/588085790.db2.gz UNAFUCPONFGGQF-UHFFFAOYSA-N 1 3 244.770 1.682 20 0 BDADHO CCc1nc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)co1 ZINC000843339840 588100556 /nfs/dbraw/zinc/10/05/56/588100556.db2.gz HHXIZDXEXDXIQC-QJPTWQEYSA-N 1 3 249.358 1.715 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCNc2ccccc2)C1 ZINC000848718594 588408431 /nfs/dbraw/zinc/40/84/31/588408431.db2.gz NRYUAXMVCVVCCH-GXTWGEPZSA-N 1 3 233.359 1.958 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H](O)c1ccccc1 ZINC000848719696 588408452 /nfs/dbraw/zinc/40/84/52/588408452.db2.gz CTQMLTMKKZCVFL-SPWCGHHHSA-N 1 3 248.370 1.968 20 0 BDADHO CCNC(=[NH2+])NCC1(N(C)C)CCCCCC1 ZINC000848982287 588424176 /nfs/dbraw/zinc/42/41/76/588424176.db2.gz ZRQMELKISHVZKR-UHFFFAOYSA-N 1 3 240.395 1.775 20 0 BDADHO CCNC(=[NH2+])NC[C@H](C(C)C)N1CCCC1 ZINC000848984206 588424997 /nfs/dbraw/zinc/42/49/97/588424997.db2.gz YYZIHOBWQFUMRA-LLVKDONJSA-N 1 3 226.368 1.241 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCC1)N1CCC[C@@H](C)C1 ZINC000848986954 588425767 /nfs/dbraw/zinc/42/57/67/588425767.db2.gz BREVXVCFWDEHMO-NEPJUHHUSA-N 1 3 238.379 1.337 20 0 BDADHO C[C@@H]1CCN(CCNC(=[NH2+])NCC2CCC2)C1 ZINC000849004215 588431527 /nfs/dbraw/zinc/43/15/27/588431527.db2.gz HXQSAAFKEMYFFB-LLVKDONJSA-N 1 3 238.379 1.242 20 0 BDADHO C[C@H]1CCN(CCNC(=[NH2+])NC2CCCC2)C1 ZINC000849004392 588431677 /nfs/dbraw/zinc/43/16/77/588431677.db2.gz OPBBWVSETMWOOO-NSHDSACASA-N 1 3 238.379 1.385 20 0 BDADHO C[C@H](CNC(=[NH2+])NCC1CCC1)CN(C)C ZINC000849030793 588442747 /nfs/dbraw/zinc/44/27/47/588442747.db2.gz XEUWANPAFJGDRG-SNVBAGLBSA-N 1 3 226.368 1.098 20 0 BDADHO COC(CCN1CCC[C@@H]([NH+](C)C)CC1)OC ZINC000851985738 588651824 /nfs/dbraw/zinc/65/18/24/588651824.db2.gz PWUQZFXLDXAQPZ-GFCCVEGCSA-N 1 3 244.379 1.412 20 0 BDADHO COC(CC[N@@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000851985738 588651825 /nfs/dbraw/zinc/65/18/25/588651825.db2.gz PWUQZFXLDXAQPZ-GFCCVEGCSA-N 1 3 244.379 1.412 20 0 BDADHO COC(CC[N@H+]1CCC[C@@H](N(C)C)CC1)OC ZINC000851985738 588651826 /nfs/dbraw/zinc/65/18/26/588651826.db2.gz PWUQZFXLDXAQPZ-GFCCVEGCSA-N 1 3 244.379 1.412 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC12CCC2 ZINC000851990828 588653118 /nfs/dbraw/zinc/65/31/18/588653118.db2.gz XFBQWPYQXVXVFL-ZDUSSCGKSA-N 1 3 240.391 1.706 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC12CCC2 ZINC000851990828 588653119 /nfs/dbraw/zinc/65/31/19/588653119.db2.gz XFBQWPYQXVXVFL-ZDUSSCGKSA-N 1 3 240.391 1.706 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)C1CC1)C2 ZINC000852107449 588664115 /nfs/dbraw/zinc/66/41/15/588664115.db2.gz LLNVHQWJLKBRTB-KGLIPLIRSA-N 1 3 238.375 1.175 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)C1CC1)C2 ZINC000852107449 588664116 /nfs/dbraw/zinc/66/41/16/588664116.db2.gz LLNVHQWJLKBRTB-KGLIPLIRSA-N 1 3 238.375 1.175 20 0 BDADHO CO[C@H](CN1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000852743875 588698014 /nfs/dbraw/zinc/69/80/14/588698014.db2.gz MRJRCHCWRVDIOA-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@@H](CN)C1)C1CCC1 ZINC000852743875 588698015 /nfs/dbraw/zinc/69/80/15/588698015.db2.gz MRJRCHCWRVDIOA-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@@H](CN)C1)C1CCC1 ZINC000852743875 588698016 /nfs/dbraw/zinc/69/80/16/588698016.db2.gz MRJRCHCWRVDIOA-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO Cc1nc([C@@H](C)N2CCC3(C2)CC[NH2+]CC3)n[nH]1 ZINC000852746175 588698760 /nfs/dbraw/zinc/69/87/60/588698760.db2.gz FNRZUXQUISQKIT-SNVBAGLBSA-N 1 3 249.362 1.250 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)C1CCOCC1 ZINC000863483586 589293254 /nfs/dbraw/zinc/29/32/54/589293254.db2.gz XVQHTWKYRULPIA-LBPRGKRZSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CC[C@@H]2C2CC2)C[NH2+]1 ZINC000863546217 589295994 /nfs/dbraw/zinc/29/59/94/589295994.db2.gz JZOCDUFOCCFXOM-MGAJPHDKSA-N 1 3 208.349 1.905 20 0 BDADHO CCO[C@H](CN1CCC[C@H](C[NH3+])C1)C1CC1 ZINC000863539547 589296414 /nfs/dbraw/zinc/29/64/14/589296414.db2.gz DZXXVLIUFHQNGS-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@H](C[N@@H+]1CCC[C@H](CN)C1)C1CC1 ZINC000863539547 589296415 /nfs/dbraw/zinc/29/64/15/589296415.db2.gz DZXXVLIUFHQNGS-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@H](C[N@H+]1CCC[C@H](CN)C1)C1CC1 ZINC000863539547 589296416 /nfs/dbraw/zinc/29/64/16/589296416.db2.gz DZXXVLIUFHQNGS-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)N1CCCC1 ZINC000864453210 589365661 /nfs/dbraw/zinc/36/56/61/589365661.db2.gz LJQBACSPIJFOPF-UTUOFQBUSA-N 1 3 238.379 1.383 20 0 BDADHO CC(C)N(CCNC(=[NH2+])N[C@@H]1C[C@H]1C)C(C)C ZINC000864453097 589365681 /nfs/dbraw/zinc/36/56/81/589365681.db2.gz XBVLJCKPXHBTPB-VXGBXAGGSA-N 1 3 240.395 1.628 20 0 BDADHO CC(C)N(CCNC(=[NH2+])N[C@H]1C[C@H]1C)C(C)C ZINC000864453094 589365793 /nfs/dbraw/zinc/36/57/93/589365793.db2.gz XBVLJCKPXHBTPB-NEPJUHHUSA-N 1 3 240.395 1.628 20 0 BDADHO CC[C@@H]1CCN(C(=[NH2+])NC[C@H](C)CN(C)C)C1 ZINC000864465830 589370942 /nfs/dbraw/zinc/37/09/42/589370942.db2.gz BYUIFMLIYSVMHC-NWDGAFQWSA-N 1 3 240.395 1.440 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864468181 589372303 /nfs/dbraw/zinc/37/23/03/589372303.db2.gz GOWLVNFYNZUXDC-GRYCIOLGSA-N 1 3 238.379 1.383 20 0 BDADHO CN(C[C@@H]1CC2(CCC2)CO1)CC(C)(C)C[NH3+] ZINC000872141848 589882101 /nfs/dbraw/zinc/88/21/01/589882101.db2.gz WEHOGRGZIQXQII-LBPRGKRZSA-N 1 3 240.391 1.862 20 0 BDADHO C[N@H+](C[C@@H]1CC2(CCC2)CO1)C1CCNCC1 ZINC000872142286 589882255 /nfs/dbraw/zinc/88/22/55/589882255.db2.gz ROBBQMQUEINPQO-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO C[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1CCNCC1 ZINC000872142286 589882257 /nfs/dbraw/zinc/88/22/57/589882257.db2.gz ROBBQMQUEINPQO-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872141919 589882352 /nfs/dbraw/zinc/88/23/52/589882352.db2.gz ZPVNPLUIBVPUPA-FQUUOJAGSA-N 1 3 240.391 1.907 20 0 BDADHO CN(CCCCCC[NH3+])[C@@H]1CCCN(C)C1=O ZINC000872155161 589886059 /nfs/dbraw/zinc/88/60/59/589886059.db2.gz FFDABXSYODXXPX-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCOC2)C1 ZINC000872252580 589900623 /nfs/dbraw/zinc/90/06/23/589900623.db2.gz ULYAYLQYVCPQIU-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872254221 589901078 /nfs/dbraw/zinc/90/10/78/589901078.db2.gz WTYTWINQIIUHQR-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@]1(CN2CC[C@@H]3CSC[C@H]3C2)CC[NH2+]C1 ZINC000873221386 589999364 /nfs/dbraw/zinc/99/93/64/589999364.db2.gz IYWWMPYTJJHCRF-UPJWGTAASA-N 1 3 240.416 1.671 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873239107 590005822 /nfs/dbraw/zinc/00/58/22/590005822.db2.gz OAJFOXFOEJKBGA-CLSQCYNNSA-N 1 3 236.359 1.127 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873250446 590007959 /nfs/dbraw/zinc/00/79/59/590007959.db2.gz RFZBIQIYBAHWSX-AVGNSLFASA-N 1 3 240.391 1.909 20 0 BDADHO CC[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256004 590010715 /nfs/dbraw/zinc/01/07/15/590010715.db2.gz LFNOQPXQIJTXDV-DCAQKATOSA-N 1 3 222.336 1.198 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ncc[nH]1 ZINC000873260888 590013823 /nfs/dbraw/zinc/01/38/23/590013823.db2.gz JMALORZUSYXGJZ-WISYIIOYSA-N 1 3 234.347 1.591 20 0 BDADHO C[C@@H]([NH2+]CCC[C@H]1C=CCC1)C1CNC1 ZINC000873281150 590018567 /nfs/dbraw/zinc/01/85/67/590018567.db2.gz GFXWQJVSFNLQCU-NEPJUHHUSA-N 1 3 208.349 1.930 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873281203 590018730 /nfs/dbraw/zinc/01/87/30/590018730.db2.gz HBNJYUIGONKYPF-QMVSFRDZSA-N 1 3 238.375 1.661 20 0 BDADHO Nc1cc(F)cc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000873290108 590023406 /nfs/dbraw/zinc/02/34/06/590023406.db2.gz OCGAIZVAZZFWEP-WCQYABFASA-N 1 3 237.322 1.767 20 0 BDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1C[C@H](O)C1 ZINC000873297305 590025164 /nfs/dbraw/zinc/02/51/64/590025164.db2.gz VYBJOPOJFOHHOG-NGFQHRJXSA-N 1 3 248.370 1.305 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297277 590025402 /nfs/dbraw/zinc/02/54/02/590025402.db2.gz VNRIMTPNQFWOBJ-GAFUQQFSSA-N 1 3 249.358 1.270 20 0 BDADHO CC(C)N(CC[NH2+]C1CCN(C)CC1)C(C)C ZINC000019900945 590039498 /nfs/dbraw/zinc/03/94/98/590039498.db2.gz JPGAJJXTUVPIQV-UHFFFAOYSA-N 1 3 241.423 1.789 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+]C1CCN(C)CC1 ZINC000019959649 590055837 /nfs/dbraw/zinc/05/58/37/590055837.db2.gz TZVQHGIYHKBLAT-CYBMUJFWSA-N 1 3 225.380 1.155 20 0 BDADHO CC(C)N(C)CC(=O)N(C)CCCCCC[NH3+] ZINC000877439258 590328447 /nfs/dbraw/zinc/32/84/47/590328447.db2.gz AIURYPCVOZCTMY-UHFFFAOYSA-N 1 3 243.395 1.304 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)C1(N)CCCC1 ZINC000877443896 590328976 /nfs/dbraw/zinc/32/89/76/590328976.db2.gz HPYLUAKHTHVQCN-UHFFFAOYSA-N 1 3 241.379 1.235 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814214 /nfs/dbraw/zinc/81/42/14/590814214.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814217 /nfs/dbraw/zinc/81/42/17/590814217.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814220 /nfs/dbraw/zinc/81/42/20/590814220.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CC[C@H]2CN(CCC(C)(C)O)CC[C@H]21 ZINC000879573993 590814222 /nfs/dbraw/zinc/81/42/22/590814222.db2.gz VJZRZARIKPKRBS-NWDGAFQWSA-N 1 3 226.364 1.173 20 0 BDADHO c1ccc2c(c1)C[C@H](CN[C@H]1CCC[NH2+]CC1)O2 ZINC000129157779 591260331 /nfs/dbraw/zinc/26/03/31/591260331.db2.gz QJCTYBRECIJYAD-UONOGXRCSA-N 1 3 246.354 1.722 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129611595 591339872 /nfs/dbraw/zinc/33/98/72/591339872.db2.gz MMILFXRAWYPNRF-QEJZJMRPSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129611595 591339875 /nfs/dbraw/zinc/33/98/75/591339875.db2.gz MMILFXRAWYPNRF-QEJZJMRPSA-N 1 3 248.370 1.792 20 0 BDADHO CCN1CC[C@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000883356628 591627115 /nfs/dbraw/zinc/62/71/15/591627115.db2.gz RMFAEZICWSHSMY-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@H]1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356628 591627119 /nfs/dbraw/zinc/62/71/19/591627119.db2.gz RMFAEZICWSHSMY-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@H]1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356628 591627123 /nfs/dbraw/zinc/62/71/23/591627123.db2.gz RMFAEZICWSHSMY-STQMWFEESA-N 1 3 239.407 1.543 20 0 BDADHO C[C@](C[NH3+])(NC[C@H]1CCC2(CCC2)O1)C1CC1 ZINC000883418982 591654785 /nfs/dbraw/zinc/65/47/85/591654785.db2.gz XGOCHRQUIXXYFL-CHWSQXEVSA-N 1 3 238.375 1.805 20 0 BDADHO C[N@H+](CC[C@H]1CCCC1(F)F)C[C@H](O)CN ZINC000883430105 591661889 /nfs/dbraw/zinc/66/18/89/591661889.db2.gz NHOZWILPWWWEAR-NXEZZACHSA-N 1 3 236.306 1.063 20 0 BDADHO C[N@@H+](CC[C@H]1CCCC1(F)F)C[C@H](O)CN ZINC000883430105 591661892 /nfs/dbraw/zinc/66/18/92/591661892.db2.gz NHOZWILPWWWEAR-NXEZZACHSA-N 1 3 236.306 1.063 20 0 BDADHO CN(CC[C@H]1CCCC1(F)F)C[C@H](O)C[NH3+] ZINC000883430105 591661894 /nfs/dbraw/zinc/66/18/94/591661894.db2.gz NHOZWILPWWWEAR-NXEZZACHSA-N 1 3 236.306 1.063 20 0 BDADHO C=C/C=C/CC[NH+]1CCC(NCCOC)CC1 ZINC000883434506 591664185 /nfs/dbraw/zinc/66/41/85/591664185.db2.gz TZENNFAZSORRDO-SNAWJCMRSA-N 1 3 238.375 1.819 20 0 BDADHO Cc1[nH]nc(CNCC2=CC[N@@H+](C)CC2)c1C ZINC000886057465 592140796 /nfs/dbraw/zinc/14/07/96/592140796.db2.gz OKZWGEWSOFQHGL-UHFFFAOYSA-N 1 3 234.347 1.378 20 0 BDADHO Cc1[nH]nc(CNCC2=CC[N@H+](C)CC2)c1C ZINC000886057465 592140795 /nfs/dbraw/zinc/14/07/95/592140795.db2.gz OKZWGEWSOFQHGL-UHFFFAOYSA-N 1 3 234.347 1.378 20 0 BDADHO CC(C)(C)NCC(O)C[NH2+]C(C)(C)C ZINC000002168030 592149555 /nfs/dbraw/zinc/14/95/55/592149555.db2.gz ICBMTPLNKKNYEX-UHFFFAOYSA-N 1 3 202.342 1.124 20 0 BDADHO CCC1(N2CCC2)CC[NH+](C[C@H](C)OC)CC1 ZINC000886716373 592310574 /nfs/dbraw/zinc/31/05/74/592310574.db2.gz XDTTYDUXSIPKTG-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1N ZINC000886837320 592358066 /nfs/dbraw/zinc/35/80/66/592358066.db2.gz FCYAUPCVXIOWLR-RFGFWPKPSA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)CC[C@@H]1N ZINC000886837320 592358074 /nfs/dbraw/zinc/35/80/74/592358074.db2.gz FCYAUPCVXIOWLR-RFGFWPKPSA-N 1 3 238.375 1.472 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)CC[C@@H]1[NH3+] ZINC000886837320 592358080 /nfs/dbraw/zinc/35/80/80/592358080.db2.gz FCYAUPCVXIOWLR-RFGFWPKPSA-N 1 3 238.375 1.472 20 0 BDADHO C[NH2+]CCCN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859800 592371016 /nfs/dbraw/zinc/37/10/16/592371016.db2.gz GDMABZGWSWEZER-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859800 592371021 /nfs/dbraw/zinc/37/10/21/592371021.db2.gz GDMABZGWSWEZER-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859800 592371025 /nfs/dbraw/zinc/37/10/25/592371025.db2.gz GDMABZGWSWEZER-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300239267 592505239 /nfs/dbraw/zinc/50/52/39/592505239.db2.gz RSUHEZZYLHZUQD-IHRRRGAJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300239267 592505240 /nfs/dbraw/zinc/50/52/40/592505240.db2.gz RSUHEZZYLHZUQD-IHRRRGAJSA-N 1 3 240.391 1.610 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000300386904 592509856 /nfs/dbraw/zinc/50/98/56/592509856.db2.gz MALQGEAISUPWEJ-YFKTTZPYSA-N 1 3 228.405 1.988 20 0 BDADHO CC[C@@H](O)C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246022892 987311797 /nfs/dbraw/zinc/31/17/97/987311797.db2.gz PWUXJIQTMQKBJA-NEPJUHHUSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@H](C[NH2+][C@@H]1COCC1(C)C)CN(C)C ZINC000312991151 634425139 /nfs/dbraw/zinc/42/51/39/634425139.db2.gz CRDTTXWVFQHORN-GHMZBOCLSA-N 1 3 214.353 1.199 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1CCCCCCO ZINC000236161712 635596554 /nfs/dbraw/zinc/59/65/54/635596554.db2.gz DAZRJFCBOJAKLA-ZDUSSCGKSA-N 1 3 228.380 1.742 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1CCCCCCO ZINC000236161712 635596561 /nfs/dbraw/zinc/59/65/61/635596561.db2.gz DAZRJFCBOJAKLA-ZDUSSCGKSA-N 1 3 228.380 1.742 20 0 BDADHO c1ccc(CN2CC[C@@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000250644002 632542801 /nfs/dbraw/zinc/54/28/01/632542801.db2.gz IDHKQPPDNXBEFW-LSDHHAIUSA-N 1 3 245.370 1.212 20 0 BDADHO O[C@H](CN1CCCCCC1)C[NH+]1CCCC1 ZINC000309060160 632629252 /nfs/dbraw/zinc/62/92/52/632629252.db2.gz WLXBAPWQLOWVDZ-CYBMUJFWSA-N 1 3 226.364 1.319 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000310310797 632718393 /nfs/dbraw/zinc/71/83/93/632718393.db2.gz WMEOQIKXHRHKPD-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[NH+](C)[C@H]1CCCN(c2ccncc2CO)C1 ZINC000126528128 635849666 /nfs/dbraw/zinc/84/96/66/635849666.db2.gz QTEQHSLUWISYHM-LBPRGKRZSA-N 1 3 235.331 1.104 20 0 BDADHO [NH3+]C1CC(NC2Cc3ccccc3C2)C1 ZINC000236194942 632896121 /nfs/dbraw/zinc/89/61/21/632896121.db2.gz PWLKBOHZLREPRI-UHFFFAOYSA-N 1 3 202.301 1.233 20 0 BDADHO CC[NH+]1CCC(CNc2cc(C)nc(N)n2)CC1 ZINC000049056008 636006512 /nfs/dbraw/zinc/00/65/12/636006512.db2.gz ZDDZBNJQBVKSGN-UHFFFAOYSA-N 1 3 249.362 1.511 20 0 BDADHO C[NH+](C)CCCn1cc(CNC(C)(C)C)nn1 ZINC000122441226 633753608 /nfs/dbraw/zinc/75/36/08/633753608.db2.gz MJKDCSTWDFCGOC-UHFFFAOYSA-N 1 3 239.367 1.118 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925509920 633848948 /nfs/dbraw/zinc/84/89/48/633848948.db2.gz PVMWKUDOETYUTQ-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H](N)[C@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000925509915 633849024 /nfs/dbraw/zinc/84/90/24/633849024.db2.gz PVHJBVOHQNXWIQ-OCCSQVGLSA-N 1 3 244.342 1.561 20 0 BDADHO CC[C@@H](O)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925560453 634041444 /nfs/dbraw/zinc/04/14/44/634041444.db2.gz MBXLVFHTGRAIJT-NDBYEHHHSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@@H](O)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925560453 634041448 /nfs/dbraw/zinc/04/14/48/634041448.db2.gz MBXLVFHTGRAIJT-NDBYEHHHSA-N 1 3 240.391 1.514 20 0 BDADHO Cn1cc(CCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925576895 634078992 /nfs/dbraw/zinc/07/89/92/634078992.db2.gz LCAGMZZWGBFZBB-CHWSQXEVSA-N 1 3 248.374 1.212 20 0 BDADHO C[C@@H](CO)N[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617509 634167594 /nfs/dbraw/zinc/16/75/94/634167594.db2.gz WKSFKORJLZYFLY-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](CO)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925617509 634167598 /nfs/dbraw/zinc/16/75/98/634167598.db2.gz WKSFKORJLZYFLY-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO CCON1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000323434961 634172101 /nfs/dbraw/zinc/17/21/01/634172101.db2.gz BMFBVZDQJPVQKM-LBPRGKRZSA-N 1 3 243.395 1.190 20 0 BDADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925642174 634189825 /nfs/dbraw/zinc/18/98/25/634189825.db2.gz ROGXIURUVWFVEK-AOIOQCJFSA-N 1 3 224.348 1.173 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925642174 634189828 /nfs/dbraw/zinc/18/98/28/634189828.db2.gz ROGXIURUVWFVEK-AOIOQCJFSA-N 1 3 224.348 1.173 20 0 BDADHO Cc1nccnc1CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925677718 634272836 /nfs/dbraw/zinc/27/28/36/634272836.db2.gz ZLPJSRAKIFABRM-CHWSQXEVSA-N 1 3 246.358 1.187 20 0 BDADHO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925686470 634300678 /nfs/dbraw/zinc/30/06/78/634300678.db2.gz UVYZJFLMLCSZRH-LPWJVIDDSA-N 1 3 238.375 1.804 20 0 BDADHO CC(C)[C@@H]1C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925696685 634355154 /nfs/dbraw/zinc/35/51/54/634355154.db2.gz YEQXSKQTAQBBSK-SFWGVHFYSA-N 1 3 234.387 1.865 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCC[C@H]1CCCO1 ZINC000925774230 635233201 /nfs/dbraw/zinc/23/32/01/635233201.db2.gz LMWZHLLJFVNWNU-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@H]3N)ccc21 ZINC000259102188 635241662 /nfs/dbraw/zinc/24/16/62/635241662.db2.gz SFTXVDHBYHCVBX-VXGBXAGGSA-N 1 3 244.342 1.543 20 0 BDADHO C[N@@H+]1C[C@@H]2CN(C[C@@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621570 636826702 /nfs/dbraw/zinc/82/67/02/636826702.db2.gz IWFDHTCLBVQDKU-RDBSUJKOSA-N 1 3 236.359 1.563 20 0 BDADHO C[N@H+]1C[C@@H]2CN(C[C@@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621570 636826707 /nfs/dbraw/zinc/82/67/07/636826707.db2.gz IWFDHTCLBVQDKU-RDBSUJKOSA-N 1 3 236.359 1.563 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccncc1 ZINC000084215716 636875105 /nfs/dbraw/zinc/87/51/05/636875105.db2.gz MYQOIQDYXODKDU-CHWSQXEVSA-N 1 3 219.332 1.689 20 0 BDADHO CCO[C@H](CN[C@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000926960827 636973586 /nfs/dbraw/zinc/97/35/86/636973586.db2.gz NNAVWDGLXFLQEM-UPJWGTAASA-N 1 3 244.379 1.110 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704246 637012610 /nfs/dbraw/zinc/01/26/10/637012610.db2.gz CDSPJNFJYRBPCI-NEPJUHHUSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704246 637012639 /nfs/dbraw/zinc/01/26/39/637012639.db2.gz CDSPJNFJYRBPCI-NEPJUHHUSA-N 1 3 249.358 1.780 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000924704246 637012651 /nfs/dbraw/zinc/01/26/51/637012651.db2.gz CDSPJNFJYRBPCI-NEPJUHHUSA-N 1 3 249.358 1.780 20 0 BDADHO NC1(C[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000904442072 637411337 /nfs/dbraw/zinc/41/13/37/637411337.db2.gz CQJHWQYIPBHJMK-UHFFFAOYSA-N 1 3 227.311 1.816 20 0 BDADHO [NH3+]Cc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000905304506 637763154 /nfs/dbraw/zinc/76/31/54/637763154.db2.gz LELYIUBLKCSEMR-NSHDSACASA-N 1 3 244.298 1.620 20 0 BDADHO C[C@H](C[NH2+]C1CC(N)C1)Cc1ccccc1 ZINC000906510956 638183828 /nfs/dbraw/zinc/18/38/28/638183828.db2.gz OBXUYIBPPCCRHG-XGNXJENSSA-N 1 3 218.344 1.945 20 0 BDADHO C[C@H](CNC1CC([NH3+])C1)Cc1ccccc1 ZINC000906510956 638183834 /nfs/dbraw/zinc/18/38/34/638183834.db2.gz OBXUYIBPPCCRHG-XGNXJENSSA-N 1 3 218.344 1.945 20 0 BDADHO COCC1(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CCC1 ZINC000931278035 640124290 /nfs/dbraw/zinc/12/42/90/640124290.db2.gz WRMRZYHWZRSFJQ-ITGUQSILSA-N 1 3 238.375 1.295 20 0 BDADHO C[C@@H]1OCC[C@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931355990 640165360 /nfs/dbraw/zinc/16/53/60/640165360.db2.gz XMAWTLURBTUZGW-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CCC(C)([NH+](C)C)CC1 ZINC000931355990 640165371 /nfs/dbraw/zinc/16/53/71/640165371.db2.gz XMAWTLURBTUZGW-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)COCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437040 640203035 /nfs/dbraw/zinc/20/30/35/640203035.db2.gz MMJRTOBETPZFBQ-UONOGXRCSA-N 1 3 240.391 1.543 20 0 BDADHO CC(C)COCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437040 640203039 /nfs/dbraw/zinc/20/30/39/640203039.db2.gz MMJRTOBETPZFBQ-UONOGXRCSA-N 1 3 240.391 1.543 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931442502 640209161 /nfs/dbraw/zinc/20/91/61/640209161.db2.gz JDZSSRAQMWYORU-NEPJUHHUSA-N 1 3 234.347 1.102 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931442502 640209163 /nfs/dbraw/zinc/20/91/63/640209163.db2.gz JDZSSRAQMWYORU-NEPJUHHUSA-N 1 3 234.347 1.102 20 0 BDADHO CC[C@@H](CO)NCCC[NH+](CC)CC ZINC000931772845 640365164 /nfs/dbraw/zinc/36/51/64/640365164.db2.gz CKCIRXDSDHTXSP-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CC[C@@H](CO)[NH2+]CCCN(CC)CC ZINC000931772845 640365167 /nfs/dbraw/zinc/36/51/67/640365167.db2.gz CKCIRXDSDHTXSP-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2cnn(C)c2)C1 ZINC000226422552 640761995 /nfs/dbraw/zinc/76/19/95/640761995.db2.gz LKLUOWMHUZADJF-AAEUAGOBSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227536213 640838591 /nfs/dbraw/zinc/83/85/91/640838591.db2.gz USSFRRDPOWPLCP-FXAINCCUSA-N 1 3 206.289 1.102 20 0 BDADHO C[C@@]1(CNC[C@@H]2CCCCO2)CCC[NH2+]C1 ZINC000062862862 641100912 /nfs/dbraw/zinc/10/09/12/641100912.db2.gz LTTXGWPKMBSDAC-QWHCGFSZSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H](O)CC1CCCC1 ZINC000232148786 641250490 /nfs/dbraw/zinc/25/04/90/641250490.db2.gz LAHRMNJAYXJZCG-BNOWGMLFSA-N 1 3 240.391 1.739 20 0 BDADHO CN1CCC[C@H](NC(=O)CCCCCC[NH3+])C1 ZINC000040673711 641535122 /nfs/dbraw/zinc/53/51/22/641535122.db2.gz QREDAZWDRUOILM-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(N)n1 ZINC000049390774 641716906 /nfs/dbraw/zinc/71/69/06/641716906.db2.gz PSGNQFLBBHTNJO-LLVKDONJSA-N 1 3 249.362 1.509 20 0 BDADHO Cc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(N)n1 ZINC000049390774 641716912 /nfs/dbraw/zinc/71/69/12/641716912.db2.gz PSGNQFLBBHTNJO-LLVKDONJSA-N 1 3 249.362 1.509 20 0 BDADHO [NH3+]Cc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000647156798 642391542 /nfs/dbraw/zinc/39/15/42/642391542.db2.gz SDISKMRMVGAZLP-LLVKDONJSA-N 1 3 244.298 1.620 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C[C@H]1CN ZINC000253236312 642633007 /nfs/dbraw/zinc/63/30/07/642633007.db2.gz NPILWZJRIFCJCP-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C[C@H]1CN ZINC000253236312 642633011 /nfs/dbraw/zinc/63/30/11/642633011.db2.gz NPILWZJRIFCJCP-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3n[nH]cc32)CC[N@@H+]1C ZINC000353531798 642865696 /nfs/dbraw/zinc/86/56/96/642865696.db2.gz PHRBHXYJADSJAN-NTZNESFSSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCc3n[nH]cc32)CC[N@H+]1C ZINC000353531798 642865699 /nfs/dbraw/zinc/86/56/99/642865699.db2.gz PHRBHXYJADSJAN-NTZNESFSSA-N 1 3 248.374 1.859 20 0 BDADHO CC[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000234087563 643469670 /nfs/dbraw/zinc/46/96/70/643469670.db2.gz UZBAYJJIHPXVFN-WOPDTQHZSA-N 1 3 228.405 1.669 20 0 BDADHO CC[N@@H+]1CC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921546964 643599900 /nfs/dbraw/zinc/59/99/00/643599900.db2.gz JWTLLRLTFMXEOL-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO CC[N@H+]1CC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921546964 643599902 /nfs/dbraw/zinc/59/99/02/643599902.db2.gz JWTLLRLTFMXEOL-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO CCN1CC[C@H](C[NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000921546964 643599909 /nfs/dbraw/zinc/59/99/09/643599909.db2.gz JWTLLRLTFMXEOL-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccsc1 ZINC000084221822 643649931 /nfs/dbraw/zinc/64/99/31/643649931.db2.gz BMEHSTKLWRZWMZ-QWRGUYRKSA-N 1 3 210.346 1.965 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000230220136 643766695 /nfs/dbraw/zinc/76/66/95/643766695.db2.gz MKMJGPIGIBHCDQ-RYUDHWBXSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H]1[C@H](NCc2cnccc2N(C)C)CC[N@@H+]1C ZINC000922558810 644021452 /nfs/dbraw/zinc/02/14/52/644021452.db2.gz XDPZFYPIUFONNT-DGCLKSJQSA-N 1 3 248.374 1.330 20 0 BDADHO C[C@@H]1[C@H](NCc2cnccc2N(C)C)CC[N@H+]1C ZINC000922558810 644021457 /nfs/dbraw/zinc/02/14/57/644021457.db2.gz XDPZFYPIUFONNT-DGCLKSJQSA-N 1 3 248.374 1.330 20 0 BDADHO CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000923279388 644312442 /nfs/dbraw/zinc/31/24/42/644312442.db2.gz NDDUJZBGXANQKP-IHRRRGAJSA-N 1 3 242.407 1.985 20 0 BDADHO CC(C)CC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000923279388 644312447 /nfs/dbraw/zinc/31/24/47/644312447.db2.gz NDDUJZBGXANQKP-IHRRRGAJSA-N 1 3 242.407 1.985 20 0 BDADHO CCOCCOCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923290529 644323531 /nfs/dbraw/zinc/32/35/31/644323531.db2.gz YNUBTKUYJKVDIE-CHWSQXEVSA-N 1 3 244.379 1.099 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923289793 644323918 /nfs/dbraw/zinc/32/39/18/644323918.db2.gz LZJFASCAHNUPAJ-RDBSUJKOSA-N 1 3 242.407 1.987 20 0 BDADHO CCN(C[C@@H](O)CSC)[C@@H]1CCC[NH2+]CC1 ZINC000923336143 644356749 /nfs/dbraw/zinc/35/67/49/644356749.db2.gz QMCKFQBAJLFPQI-VXGBXAGGSA-N 1 3 246.420 1.174 20 0 BDADHO C[C@@H](NC(CN)C[NH3+])c1cccc2ccccc21 ZINC000923352340 644369359 /nfs/dbraw/zinc/36/93/59/644369359.db2.gz VKWFZJQKRJJTPX-LLVKDONJSA-N 1 3 243.354 1.776 20 0 BDADHO C[C@@H]([NH2+]C(CN)CN)c1cccc2ccccc21 ZINC000923352340 644369361 /nfs/dbraw/zinc/36/93/61/644369361.db2.gz VKWFZJQKRJJTPX-LLVKDONJSA-N 1 3 243.354 1.776 20 0 BDADHO CCOCCOCCN1CCCC[C@@H]1CC[NH3+] ZINC000923352369 644369977 /nfs/dbraw/zinc/36/99/77/644369977.db2.gz DHCGNIVZTSGONR-CYBMUJFWSA-N 1 3 244.379 1.243 20 0 BDADHO C[C@@]12COC[C@H]1CN(CCC[NH2+]C1CC1)C2 ZINC000923387250 644398716 /nfs/dbraw/zinc/39/87/16/644398716.db2.gz CFQUHOJBGAPJHY-DGCLKSJQSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H](O)Cc1ccccc1 ZINC000923393291 644402662 /nfs/dbraw/zinc/40/26/62/644402662.db2.gz OBIGSSRMDYBPJQ-BPLDGKMQSA-N 1 3 248.370 1.402 20 0 BDADHO C[C@@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923415892 644408558 /nfs/dbraw/zinc/40/85/58/644408558.db2.gz SDVPVGZCWWXWIN-ZYHUDNBSSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923415892 644408563 /nfs/dbraw/zinc/40/85/63/644408563.db2.gz SDVPVGZCWWXWIN-ZYHUDNBSSA-N 1 3 214.353 1.064 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000923423190 644419503 /nfs/dbraw/zinc/41/95/03/644419503.db2.gz VTXAQCNHGRFQSK-PRJMDXOYSA-N 1 3 240.269 1.015 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)CC(F)(F)F ZINC000923423190 644419508 /nfs/dbraw/zinc/41/95/08/644419508.db2.gz VTXAQCNHGRFQSK-PRJMDXOYSA-N 1 3 240.269 1.015 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000084215986 644419757 /nfs/dbraw/zinc/41/97/57/644419757.db2.gz UDCAOJYQQWQFPN-AAEUAGOBSA-N 1 3 222.332 1.929 20 0 BDADHO CCC[C@H](C)CCC[NH+]1CCNCCNCC1 ZINC000923461528 644446130 /nfs/dbraw/zinc/44/61/30/644446130.db2.gz YHBFPRWFCIFHKD-AWEZNQCLSA-N 1 3 241.423 1.698 20 0 BDADHO CC[C@@H](CC(F)F)C[NH+]1CCNCCNCC1 ZINC000923461283 644447303 /nfs/dbraw/zinc/44/73/03/644447303.db2.gz VEABEGQAEYSRAW-NSHDSACASA-N 1 3 249.349 1.163 20 0 BDADHO Cc1cc(CN(C)C2CCC([NH3+])CC2)on1 ZINC000085869841 644451120 /nfs/dbraw/zinc/45/11/20/644451120.db2.gz ZIUOULWDANTASN-UHFFFAOYSA-N 1 3 223.320 1.685 20 0 BDADHO COc1ccc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492132 644467595 /nfs/dbraw/zinc/46/75/95/644467595.db2.gz WFECFTXNQIEJHZ-YPMHNXCESA-N 1 3 249.358 1.507 20 0 BDADHO COc1ccc(CN2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923492130 644468204 /nfs/dbraw/zinc/46/82/04/644468204.db2.gz WFECFTXNQIEJHZ-DGCLKSJQSA-N 1 3 249.358 1.507 20 0 BDADHO OC[C@]12C[C@H]1C[N@H+](CCCN1CCCCC1)C2 ZINC000782602299 644742960 /nfs/dbraw/zinc/74/29/60/644742960.db2.gz BOYOWEAKERUAFF-UONOGXRCSA-N 1 3 238.375 1.177 20 0 BDADHO OC[C@]12C[C@H]1C[N@@H+](CCCN1CCCCC1)C2 ZINC000782602299 644742967 /nfs/dbraw/zinc/74/29/67/644742967.db2.gz BOYOWEAKERUAFF-UONOGXRCSA-N 1 3 238.375 1.177 20 0 BDADHO CN(CC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250017270 644745930 /nfs/dbraw/zinc/74/59/30/644745930.db2.gz XEBRFTRJTHTDMR-QNMSZWNNSA-N 1 3 238.375 1.770 20 0 BDADHO COCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250162381 644748349 /nfs/dbraw/zinc/74/83/49/644748349.db2.gz FFWZXGRTPWKHJY-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251271336 644800555 /nfs/dbraw/zinc/80/05/55/644800555.db2.gz XOSLWBJEDOSSKX-SDDRHHMPSA-N 1 3 214.353 1.268 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251857328 644828627 /nfs/dbraw/zinc/82/86/27/644828627.db2.gz SKOPBCDZCMFLMP-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1C[NH+](C[C@@]2(C)CCCNC2)C[C@H]1C ZINC000252648906 644872443 /nfs/dbraw/zinc/87/24/43/644872443.db2.gz WHTVMMTVUIIJGB-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO CCN1CCC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925494016 645727484 /nfs/dbraw/zinc/72/74/84/645727484.db2.gz NHLUXYQMENSXIO-QWHCGFSZSA-N 1 3 237.391 1.345 20 0 BDADHO C1C[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CN1 ZINC000723628327 711527277 /nfs/dbraw/zinc/52/72/77/711527277.db2.gz IKDLSDAPGWVDFN-LPWJVIDDSA-N 1 3 224.348 1.143 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CCOCC1 ZINC000924882639 646122957 /nfs/dbraw/zinc/12/29/57/646122957.db2.gz REOLEEWMNMBCRD-PBWFPOADSA-N 1 3 238.375 1.343 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCOC2CC2)C1 ZINC000929637435 646215773 /nfs/dbraw/zinc/21/57/73/646215773.db2.gz IHTJTLYOAQPYHI-NSHDSACASA-N 1 3 212.337 1.049 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCOC2CC2)C1 ZINC000929637435 646215780 /nfs/dbraw/zinc/21/57/80/646215780.db2.gz IHTJTLYOAQPYHI-NSHDSACASA-N 1 3 212.337 1.049 20 0 BDADHO C(CN1CCCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000925508090 646309263 /nfs/dbraw/zinc/30/92/63/646309263.db2.gz FBQYKVVMOQNLAW-CYBMUJFWSA-N 1 3 237.391 1.347 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925553422 646328399 /nfs/dbraw/zinc/32/83/99/646328399.db2.gz RHYXSSPCLPPLBQ-RAIGVLPGSA-N 1 3 237.391 1.199 20 0 BDADHO C1=CC[C@H]([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925620637 646367172 /nfs/dbraw/zinc/36/71/72/646367172.db2.gz WKRJHEFQRJHHRE-RYUDHWBXSA-N 1 3 206.333 1.969 20 0 BDADHO C[C@@H]1CCCN1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925621837 646367956 /nfs/dbraw/zinc/36/79/56/646367956.db2.gz GZAVALVXRJSMKU-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H]1CCO ZINC000925641776 646384149 /nfs/dbraw/zinc/38/41/49/646384149.db2.gz BLOTUTXRHYAIHX-QNWHQSFQSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCNC12CCC2 ZINC000925680766 646408450 /nfs/dbraw/zinc/40/84/50/646408450.db2.gz UBKHLSICSHWPIN-NEPJUHHUSA-N 1 3 226.364 1.269 20 0 BDADHO CC1(C)[C@H](N[C@H]2CC23CC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925709254 646433989 /nfs/dbraw/zinc/43/39/89/646433989.db2.gz UNYNSTODLWUMHH-NOOOWODRSA-N 1 3 220.360 1.905 20 0 BDADHO CC1(C)[C@H]([NH2+][C@H]2CC23CC3)[C@@H]2CCCN[C@@H]21 ZINC000925709254 646433993 /nfs/dbraw/zinc/43/39/93/646433993.db2.gz UNYNSTODLWUMHH-NOOOWODRSA-N 1 3 220.360 1.905 20 0 BDADHO Nc1ccnc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000925766337 646468859 /nfs/dbraw/zinc/46/88/59/646468859.db2.gz IZLPSOQCPIGKFD-FOSCPWQOSA-N 1 3 232.331 1.036 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000925773561 646473822 /nfs/dbraw/zinc/47/38/22/646473822.db2.gz DEOZPXZMRLMUES-UTUOFQBUSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000925782424 646479947 /nfs/dbraw/zinc/47/99/47/646479947.db2.gz GHKMPJUFOMWLFB-NZEXEKPDSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H](NCCN1CCC([NH3+])CC1)c1ccoc1 ZINC000925812646 646490703 /nfs/dbraw/zinc/49/07/03/646490703.db2.gz XRZBVTIEPDZEHO-NSHDSACASA-N 1 3 237.347 1.353 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829070 646499553 /nfs/dbraw/zinc/49/95/53/646499553.db2.gz AUOCEYZAJOOUKP-HPCHECBXSA-N 1 3 236.359 1.295 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832425 646501926 /nfs/dbraw/zinc/50/19/26/646501926.db2.gz PPPYDECMORAQQY-QEYWKRMJSA-N 1 3 236.281 1.902 20 0 BDADHO Cc1cc(CCN[C@H]2CCC[NH2+]CC2)nn1C ZINC000925831205 646501957 /nfs/dbraw/zinc/50/19/57/646501957.db2.gz CVRJVBFILFRISM-LBPRGKRZSA-N 1 3 236.363 1.003 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)C1CNC1 ZINC000925833634 646503021 /nfs/dbraw/zinc/50/30/21/646503021.db2.gz UNCLDMIBNDHCNM-BKPPORCPSA-N 1 3 222.254 1.382 20 0 BDADHO C[C@H]([NH2+]CC1CCC=CCC1)C1CNC1 ZINC000925882103 646530910 /nfs/dbraw/zinc/53/09/10/646530910.db2.gz WRGKNBQPBNDOAP-NSHDSACASA-N 1 3 208.349 1.930 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOC(F)F ZINC000926369182 646628552 /nfs/dbraw/zinc/62/85/52/646628552.db2.gz BNZDRQUDEPVZSH-ZACCUICWSA-N 1 3 248.317 1.546 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)CN(C)C ZINC000926475789 646653502 /nfs/dbraw/zinc/65/35/02/646653502.db2.gz WYARVTMCCIPXPJ-MNOVXSKESA-N 1 3 237.347 1.636 20 0 BDADHO C[C@H](CN[C@@H](C)c1cc[nH]c(=O)c1)C[NH+](C)C ZINC000926475789 646653505 /nfs/dbraw/zinc/65/35/05/646653505.db2.gz WYARVTMCCIPXPJ-MNOVXSKESA-N 1 3 237.347 1.636 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CCCSC1)N(C)C ZINC000700490166 711994597 /nfs/dbraw/zinc/99/45/97/711994597.db2.gz YHTSFEPBMUQARA-WDEREUQCSA-N 1 3 216.394 1.812 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+]CC[C@H](C)N(C)C ZINC000700602476 712000585 /nfs/dbraw/zinc/00/05/85/712000585.db2.gz BJQNMGNIWMTQSW-AGIUHOORSA-N 1 3 228.380 1.731 20 0 BDADHO [NH3+]CC[C@H]1CCN(Cc2ccncc2Cl)C1 ZINC000700640060 712001331 /nfs/dbraw/zinc/00/13/31/712001331.db2.gz MCMPZTCREJDWLI-JTQLQIEISA-N 1 3 239.750 1.906 20 0 BDADHO C[NH+]1C[C@]2(C)CN(C[C@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664242 712135045 /nfs/dbraw/zinc/13/50/45/712135045.db2.gz YCMBUBVWHXPBQL-BFHYXJOUSA-N 1 3 238.375 1.031 20 0 BDADHO CC1(C)CO[C@H](CN2CC[C@](C)(C[NH3+])C2)C1 ZINC000708323451 712187261 /nfs/dbraw/zinc/18/72/61/712187261.db2.gz NBRMOURLRDHOKP-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC(C)(C)CO2)CC[C@@H]1[NH3+] ZINC000708332113 712188155 /nfs/dbraw/zinc/18/81/55/712188155.db2.gz PHLCUMQOWMGDJD-AGIUHOORSA-N 1 3 240.391 1.861 20 0 BDADHO CC1(C)CO[C@@H](CN2CC[C@@H](C[NH3+])C2)C1 ZINC000708341336 712189441 /nfs/dbraw/zinc/18/94/41/712189441.db2.gz RTXCRTWXVFGUII-WDEREUQCSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H](C)NC(=O)CN(C)CCCCCC[NH3+] ZINC000710749605 712255783 /nfs/dbraw/zinc/25/57/83/712255783.db2.gz IVNJTSSUFNTOCL-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CNC1 ZINC000712466073 712430752 /nfs/dbraw/zinc/43/07/52/712430752.db2.gz UNWWHEFJIYQSMN-RSLMWUCJSA-N 1 3 208.349 1.763 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCNCCC1(C)C ZINC000712559524 712446035 /nfs/dbraw/zinc/44/60/35/712446035.db2.gz YFLSFYSYTDWHAA-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO Cn1nccc1CC[N@H+]1CCNCCC1(C)C ZINC000712559524 712446037 /nfs/dbraw/zinc/44/60/37/712446037.db2.gz YFLSFYSYTDWHAA-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@H]2CCC(C)(C)CO2)C1 ZINC000713588930 712466206 /nfs/dbraw/zinc/46/62/06/712466206.db2.gz YGWQFHOKMFDBJT-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]([NH2+]C[C@H]1C[C@H]1[C@H]1C[C@H]1C)C1CNC1 ZINC000716666362 712569213 /nfs/dbraw/zinc/56/92/13/712569213.db2.gz XVQSKHYYDLLOJZ-UXMQXVNQSA-N 1 3 208.349 1.476 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNc1cc(C)nc(N)n1 ZINC000221241252 712658831 /nfs/dbraw/zinc/65/88/31/712658831.db2.gz VUGYCKOODKSNNW-JTQLQIEISA-N 1 3 237.351 1.509 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNc1cc(C)nc(N)n1 ZINC000221241252 712658832 /nfs/dbraw/zinc/65/88/32/712658832.db2.gz VUGYCKOODKSNNW-JTQLQIEISA-N 1 3 237.351 1.509 20 0 BDADHO Cc1csc(CNCC[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000722516962 710713468 /nfs/dbraw/zinc/71/34/68/710713468.db2.gz ZQHKWZHAKSIANV-MWLCHTKSSA-N 1 3 239.388 1.787 20 0 BDADHO CC[C@@H](CO)N(C)CCC[NH+]1CCCC1 ZINC000382056252 710769267 /nfs/dbraw/zinc/76/92/67/710769267.db2.gz BOKQLDPGRBMCSZ-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CC[C@@H]1C[C@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000387782540 711047113 /nfs/dbraw/zinc/04/71/13/711047113.db2.gz DPWJFKOLPHFGTK-VWBGDHHKSA-N 1 3 220.360 1.619 20 0 BDADHO CCOCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396579214 711357370 /nfs/dbraw/zinc/35/73/70/711357370.db2.gz ONUPWWFJCMVXKD-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO COCCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396580106 711357668 /nfs/dbraw/zinc/35/76/68/711357668.db2.gz FAQYQUOZNONOTB-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396594436 711359393 /nfs/dbraw/zinc/35/93/93/711359393.db2.gz DSGDQLDOXJCSGB-TUAOUCFPSA-N 1 3 228.380 1.514 20 0 BDADHO CC[N@H+](CCNc1cc(C)nc(N)n1)C(C)C ZINC000726595281 711438838 /nfs/dbraw/zinc/43/88/38/711438838.db2.gz PIVKCNGCDJMUTC-UHFFFAOYSA-N 1 3 237.351 1.509 20 0 BDADHO CC[N@@H+](CCNc1cc(C)nc(N)n1)C(C)C ZINC000726595281 711438840 /nfs/dbraw/zinc/43/88/40/711438840.db2.gz PIVKCNGCDJMUTC-UHFFFAOYSA-N 1 3 237.351 1.509 20 0 BDADHO C[C@@H](CC[NH+](C)C)NCc1cc[nH]c(=O)c1 ZINC000380979015 710596148 /nfs/dbraw/zinc/59/61/48/710596148.db2.gz HXIQPEJSBUIDRA-JTQLQIEISA-N 1 3 223.320 1.217 20 0 BDADHO CCC[C@H](CCO)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396674323 711364948 /nfs/dbraw/zinc/36/49/48/711364948.db2.gz RYSNWMUKOKHQCU-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO CSC[C@@H]1CCCN1CCC[NH2+]C1CC1 ZINC000400004015 711437888 /nfs/dbraw/zinc/43/78/88/711437888.db2.gz PSQQZBLUQZHTNE-LBPRGKRZSA-N 1 3 228.405 1.956 20 0 BDADHO C([NH2+][C@H]1CC[C@@H]2COCC[C@@H]2C1)C1CNC1 ZINC000723638329 711528879 /nfs/dbraw/zinc/52/88/79/711528879.db2.gz WKOMUAIPEFOPFO-UPJWGTAASA-N 1 3 224.348 1.001 20 0 BDADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000723957068 711547545 /nfs/dbraw/zinc/54/75/45/711547545.db2.gz SYOZPSRLIDWIKG-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO COC/C(C)=C/C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000930555332 711696910 /nfs/dbraw/zinc/69/69/10/711696910.db2.gz MFTOZBUEUAYOLV-HIICFIELSA-N 1 3 238.375 1.607 20 0 BDADHO COC/C(C)=C/C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000930555332 711696911 /nfs/dbraw/zinc/69/69/11/711696911.db2.gz MFTOZBUEUAYOLV-HIICFIELSA-N 1 3 238.375 1.607 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3c[nH]nc3c2)C1 ZINC000334847921 711719127 /nfs/dbraw/zinc/71/91/27/711719127.db2.gz YELZGBNHXCLKQC-OLZOCXBDSA-N 1 3 244.342 1.922 20 0 BDADHO CN(C)c1ccnc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000925814302 711755024 /nfs/dbraw/zinc/75/50/24/711755024.db2.gz KFRWHDCPZXPVSK-VXGBXAGGSA-N 1 3 248.374 1.507 20 0 BDADHO C[C@H]1CSCCCN1C[C@@H]1CC[NH2+]C1 ZINC000725661611 711759327 /nfs/dbraw/zinc/75/93/27/711759327.db2.gz MEQGXCSMRVCXRL-WDEREUQCSA-N 1 3 214.378 1.423 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@@H]1CCC[C@H]1C[NH3+] ZINC000250806236 711760307 /nfs/dbraw/zinc/76/03/07/711760307.db2.gz NXNMEUCUOLVXPH-UHTWSYAYSA-N 1 3 248.374 1.515 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880309 711762146 /nfs/dbraw/zinc/76/21/46/711762146.db2.gz IZYUFFCFEDEJCP-LPWJVIDDSA-N 1 3 208.349 1.894 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622186 711771124 /nfs/dbraw/zinc/77/11/24/711771124.db2.gz IVJRZULEFHURKF-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879622186 711771125 /nfs/dbraw/zinc/77/11/25/711771125.db2.gz IVJRZULEFHURKF-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H]([C@@H](C)N)C1)C(C)C ZINC000721910917 711917391 /nfs/dbraw/zinc/91/73/91/711917391.db2.gz GPFONMATMDQTCT-UPJWGTAASA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H]([C@@H](C)N)C1)C(C)C ZINC000721910917 711917394 /nfs/dbraw/zinc/91/73/94/711917394.db2.gz GPFONMATMDQTCT-UPJWGTAASA-N 1 3 228.380 1.574 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1C[C@@H](COC)C(C)C ZINC000721913698 711918193 /nfs/dbraw/zinc/91/81/93/711918193.db2.gz PNDKXAUZESOYRG-STQMWFEESA-N 1 3 228.380 1.589 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1C[C@@H](COC)C(C)C ZINC000721913698 711918194 /nfs/dbraw/zinc/91/81/94/711918194.db2.gz PNDKXAUZESOYRG-STQMWFEESA-N 1 3 228.380 1.589 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000700788972 712005435 /nfs/dbraw/zinc/00/54/35/712005435.db2.gz SKVTVEUBXNAZTB-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CO[C@@H](C3CC3)C2)C12CCC2 ZINC000700990868 712010806 /nfs/dbraw/zinc/01/08/06/712010806.db2.gz ISHZLJFCNCFJGX-LPWJVIDDSA-N 1 3 236.359 1.413 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CCCOC1)C2 ZINC000702615867 712057407 /nfs/dbraw/zinc/05/74/07/712057407.db2.gz MONBLOOXORLZIM-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO COCC(C)(C)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703583661 712080016 /nfs/dbraw/zinc/08/00/16/712080016.db2.gz PSGCGNAOLCAXEG-WCQYABFASA-N 1 3 226.364 1.200 20 0 BDADHO COCCC1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000704147690 712100340 /nfs/dbraw/zinc/10/03/40/712100340.db2.gz SNFDIMBRRAQXJV-OCCSQVGLSA-N 1 3 240.391 1.590 20 0 BDADHO CC[C@H](O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000705108582 712122425 /nfs/dbraw/zinc/12/24/25/712122425.db2.gz VGESERPXXUIVPQ-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705108582 712122426 /nfs/dbraw/zinc/12/24/26/712122426.db2.gz VGESERPXXUIVPQ-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](O)CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705669017 712135337 /nfs/dbraw/zinc/13/53/37/712135337.db2.gz LHYLFSLEQKWAAW-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H](O)CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705669017 712135339 /nfs/dbraw/zinc/13/53/39/712135339.db2.gz LHYLFSLEQKWAAW-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO CCO[C@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000706469518 712146579 /nfs/dbraw/zinc/14/65/79/712146579.db2.gz PAUHYHMYADXZLY-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C1CC12CCC[C@@H]2N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000706791619 712155865 /nfs/dbraw/zinc/15/58/65/712155865.db2.gz NHADWWSWJMTBKE-XNBXPENISA-N 1 3 232.371 1.905 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000708080708 712181455 /nfs/dbraw/zinc/18/14/55/712181455.db2.gz BRMDMPLBFBSPFJ-RKQHYHRCSA-N 1 3 222.376 1.949 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000708080708 712181458 /nfs/dbraw/zinc/18/14/58/712181458.db2.gz BRMDMPLBFBSPFJ-RKQHYHRCSA-N 1 3 222.376 1.949 20 0 BDADHO CN(C)C1(C)CC[NH+](CC2(O)CCCC2)CC1 ZINC000709774768 712222975 /nfs/dbraw/zinc/22/29/75/712222975.db2.gz BHRVRKFRHOZPLR-UHFFFAOYSA-N 1 3 240.391 1.708 20 0 BDADHO [NH3+]C1CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000710510094 712253712 /nfs/dbraw/zinc/25/37/12/712253712.db2.gz SIZRXUMYWYNBKP-GUDFOSOFSA-N 1 3 230.302 1.701 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CCOC2CC2)C1 ZINC000711734116 712320987 /nfs/dbraw/zinc/32/09/87/712320987.db2.gz YHZCOBCERANOFQ-QWRGUYRKSA-N 1 3 212.337 1.225 20 0 BDADHO CO[C@H]1C[C@H](CN[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000714722026 712496478 /nfs/dbraw/zinc/49/64/78/712496478.db2.gz HYHXPJGKRGDGJE-FDYHWXHSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@](C[NH3+])(NC[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000717650947 712663215 /nfs/dbraw/zinc/66/32/15/712663215.db2.gz MFYXHVDDVARRRN-AAEUAGOBSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H]1CC[C@@H](NCCCCCCO)C[NH2+]1 ZINC000399038308 958494230 /nfs/dbraw/zinc/49/42/30/958494230.db2.gz PZKOWLSIMPCCAP-NWDGAFQWSA-N 1 3 214.353 1.269 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)N(C)C1COC1 ZINC001167824265 961139608 /nfs/dbraw/zinc/13/96/08/961139608.db2.gz CYMHYDCSCHOINA-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H]1CN(C2CCC([NH+](C)C)CC2)CCO1 ZINC001168315339 964427718 /nfs/dbraw/zinc/42/77/18/964427718.db2.gz UWFAVFSEWAXDKU-PNESKVBLSA-N 1 3 226.364 1.580 20 0 BDADHO C[C@H]1C[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205130674 967373881 /nfs/dbraw/zinc/37/38/81/967373881.db2.gz LHRFFFXHJHNASA-PDWCTOEPSA-N 1 3 220.360 1.725 20 0 BDADHO C[C@H]1C[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1CN ZINC001205130674 967373893 /nfs/dbraw/zinc/37/38/93/967373893.db2.gz LHRFFFXHJHNASA-PDWCTOEPSA-N 1 3 220.360 1.725 20 0 BDADHO CN1CCN(CCCC2=CCC[N@H+](C)C2)CC1 ZINC001250228747 967537345 /nfs/dbraw/zinc/53/73/45/967537345.db2.gz INQAXMMJRCSYPH-UHFFFAOYSA-N 1 3 237.391 1.276 20 0 BDADHO CN1CCN(CCCC2=CCC[N@@H+](C)C2)CC1 ZINC001250228747 967537362 /nfs/dbraw/zinc/53/73/62/967537362.db2.gz INQAXMMJRCSYPH-UHFFFAOYSA-N 1 3 237.391 1.276 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2ccnnc2)CC1 ZINC001205559263 967696739 /nfs/dbraw/zinc/69/67/39/967696739.db2.gz PPABTVTXKNYXCZ-LBPRGKRZSA-N 1 3 238.310 1.130 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@@]12CCOC2 ZINC001207283477 968716428 /nfs/dbraw/zinc/71/64/28/968716428.db2.gz YVZDLTUAAUAYRC-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207469350 968790569 /nfs/dbraw/zinc/79/05/69/968790569.db2.gz JFWVGSIFIYBIEL-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1 ZINC001253405500 969158260 /nfs/dbraw/zinc/15/82/60/969158260.db2.gz DRZMDJDQNZXWKW-UPJWGTAASA-N 1 3 242.407 1.904 20 0 BDADHO CN(c1cc(N)cc[nH+]1)C1=CCN(C)CC1 ZINC001208803653 969243880 /nfs/dbraw/zinc/24/38/80/969243880.db2.gz ZWKZIWDGKOPUHG-UHFFFAOYSA-N 1 3 218.304 1.319 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@](C)(O)C1)C2 ZINC001169097890 969389296 /nfs/dbraw/zinc/38/92/96/969389296.db2.gz DWJUISPRVOENSN-UMBVQODESA-N 1 3 224.348 1.115 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1C[C@](C)(O)C1)C2 ZINC001169097890 969389302 /nfs/dbraw/zinc/38/93/02/969389302.db2.gz DWJUISPRVOENSN-UMBVQODESA-N 1 3 224.348 1.115 20 0 BDADHO CCCCN1CCC([N@H+](C)CCOC)CC1 ZINC001209216040 969405718 /nfs/dbraw/zinc/40/57/18/969405718.db2.gz WHFBLHYHVXBFPJ-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CCCCN1CCC([N@@H+](C)CCOC)CC1 ZINC001209216040 969405721 /nfs/dbraw/zinc/40/57/21/969405721.db2.gz WHFBLHYHVXBFPJ-UHFFFAOYSA-N 1 3 228.380 1.829 20 0 BDADHO CN1CCC[C@@](C)([NH2+][C@H]2CCCN(C)CC2)C1 ZINC001254512774 969678034 /nfs/dbraw/zinc/67/80/34/969678034.db2.gz RMAKGTIULXNLCM-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO CN1CCC[C@](C)([NH2+][C@@H]2CCCN(C)CC2)C1 ZINC001254512773 969678483 /nfs/dbraw/zinc/67/84/83/969678483.db2.gz RMAKGTIULXNLCM-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO CN(C)C1(C)CN([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254525416 969721169 /nfs/dbraw/zinc/72/11/69/969721169.db2.gz HZABREIDOADINJ-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CN(C)C1(C)CN([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254525416 969721176 /nfs/dbraw/zinc/72/11/76/969721176.db2.gz HZABREIDOADINJ-LBPRGKRZSA-N 1 3 225.380 1.107 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CCC[N@H+](C)C1 ZINC001255475532 970205608 /nfs/dbraw/zinc/20/56/08/970205608.db2.gz RFJKNZCAWIWEHZ-ZDUSSCGKSA-N 1 3 236.363 1.561 20 0 BDADHO CCCc1cc(CN)nn1[C@H]1CCC[N@@H+](C)C1 ZINC001255475532 970205612 /nfs/dbraw/zinc/20/56/12/970205612.db2.gz RFJKNZCAWIWEHZ-ZDUSSCGKSA-N 1 3 236.363 1.561 20 0 BDADHO C[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1N ZINC001255645586 970419847 /nfs/dbraw/zinc/41/98/47/970419847.db2.gz GIIJSTGAXRVCRP-BIIVOSGPSA-N 1 3 210.243 1.797 20 0 BDADHO CC[C@H](O)CN[C@@H](C)CC[NH+](CC)CC ZINC001255942155 970567517 /nfs/dbraw/zinc/56/75/17/970567517.db2.gz DUDRSRJMJCQSSJ-RYUDHWBXSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@H](O)C[NH2+][C@@H](C)CCN(CC)CC ZINC001255942155 970567529 /nfs/dbraw/zinc/56/75/29/970567529.db2.gz DUDRSRJMJCQSSJ-RYUDHWBXSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C(C)(C)CCO ZINC001255942202 970574424 /nfs/dbraw/zinc/57/44/24/970574424.db2.gz CPOWWJKZROEOPB-LBPRGKRZSA-N 1 3 230.396 1.857 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CCN2CC[C@H]2C1 ZINC001255969188 970607996 /nfs/dbraw/zinc/60/79/96/970607996.db2.gz VADOQSIBELEFPO-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)C[N@H+](C)CCCNC[C@@H](O)C1CC1 ZINC001336800188 977969304 /nfs/dbraw/zinc/96/93/04/977969304.db2.gz PRJIBWIZGQAPML-CYBMUJFWSA-N 1 3 228.380 1.325 20 0 BDADHO CC(C)C[N@@H+](C)CCCNC[C@@H](O)C1CC1 ZINC001336800188 977969321 /nfs/dbraw/zinc/96/93/21/977969321.db2.gz PRJIBWIZGQAPML-CYBMUJFWSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@H]1CN(CC2CC[NH+](CC)CC2)CCO1 ZINC001180540396 978901004 /nfs/dbraw/zinc/90/10/04/978901004.db2.gz LFELQMCWBKHURE-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H](N)C[N@H+](C)CC[C@H](C)SC ZINC001236859746 979762938 /nfs/dbraw/zinc/76/29/38/979762938.db2.gz LWDBDALSAIDPBS-UWVGGRQHSA-N 1 3 204.383 1.797 20 0 BDADHO CC[C@H](N)C[N@@H+](C)CC[C@H](C)SC ZINC001236859746 979762945 /nfs/dbraw/zinc/76/29/45/979762945.db2.gz LWDBDALSAIDPBS-UWVGGRQHSA-N 1 3 204.383 1.797 20 0 BDADHO Nc1cccc(C[N@H+]2CCCC[C@H](N)C2)c1 ZINC001205938060 983570024 /nfs/dbraw/zinc/57/00/24/983570024.db2.gz FEQDUSIPAFKYCH-ZDUSSCGKSA-N 1 3 219.332 1.582 20 0 BDADHO Nc1cccc(C[N@@H+]2CCCC[C@H](N)C2)c1 ZINC001205938060 983570027 /nfs/dbraw/zinc/57/00/27/983570027.db2.gz FEQDUSIPAFKYCH-ZDUSSCGKSA-N 1 3 219.332 1.582 20 0 BDADHO CC(C)COCC[C@H](C)[NH2+]C1CC(N)C1 ZINC001172465527 974828092 /nfs/dbraw/zinc/82/80/92/974828092.db2.gz WFIVXFRHUXTAPL-UNXYVOJBSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)COCC[C@H](C)NC1CC([NH3+])C1 ZINC001172465527 974828098 /nfs/dbraw/zinc/82/80/98/974828098.db2.gz WFIVXFRHUXTAPL-UNXYVOJBSA-N 1 3 214.353 1.517 20 0 BDADHO [NH3+]C[C@H]1CN([C@H]2CCCOCC2)CCC1(F)F ZINC001246553709 972745027 /nfs/dbraw/zinc/74/50/27/972745027.db2.gz BXTBTPLJROKTBQ-QWRGUYRKSA-N 1 3 248.317 1.471 20 0 BDADHO CSC(C)(C)C[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585737 972962486 /nfs/dbraw/zinc/96/24/86/972962486.db2.gz QFNCUKLFWVLWIJ-VWYCJHECSA-N 1 3 246.420 1.158 20 0 BDADHO CSC(C)(C)C[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246585737 972962501 /nfs/dbraw/zinc/96/25/01/972962501.db2.gz QFNCUKLFWVLWIJ-VWYCJHECSA-N 1 3 246.420 1.158 20 0 BDADHO C[C@H](N)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001256615499 970879678 /nfs/dbraw/zinc/87/96/78/970879678.db2.gz KNUCYECRLRXNEO-WSMDXJOWSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@H](N)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001256615499 970879685 /nfs/dbraw/zinc/87/96/85/970879685.db2.gz KNUCYECRLRXNEO-WSMDXJOWSA-N 1 3 234.347 1.701 20 0 BDADHO CN1[C@@H]2CC[C@H]1CC([N@@H+]1CCCN(C)CC1)C2 ZINC001256621621 970886671 /nfs/dbraw/zinc/88/66/71/970886671.db2.gz YMMGWKLXAQZHFA-PBWFPOADSA-N 1 3 237.391 1.249 20 0 BDADHO CN1[C@@H]2CC[C@H]1CC([N@H+]1CCCN(C)CC1)C2 ZINC001256621621 970886678 /nfs/dbraw/zinc/88/66/78/970886678.db2.gz YMMGWKLXAQZHFA-PBWFPOADSA-N 1 3 237.391 1.249 20 0 BDADHO CC[N@H+](C1CN(C)C1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256629676 970892621 /nfs/dbraw/zinc/89/26/21/970892621.db2.gz OSWICGZUPMESJX-FUNVUKJBSA-N 1 3 237.391 1.248 20 0 BDADHO CC[N@@H+](C1CN(C)C1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256629676 970892632 /nfs/dbraw/zinc/89/26/32/970892632.db2.gz OSWICGZUPMESJX-FUNVUKJBSA-N 1 3 237.391 1.248 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256630188 970893685 /nfs/dbraw/zinc/89/36/85/970893685.db2.gz OMHKKHCJGWUWSU-AWQNUYMJSA-N 1 3 249.402 1.390 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256630188 970893690 /nfs/dbraw/zinc/89/36/90/970893690.db2.gz OMHKKHCJGWUWSU-AWQNUYMJSA-N 1 3 249.402 1.390 20 0 BDADHO C[C@H]1C[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677127 970917917 /nfs/dbraw/zinc/91/79/17/970917917.db2.gz KZFOJNQJMCXAEM-ABXWRUBCSA-N 1 3 238.375 1.628 20 0 BDADHO CN(C1COC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860632 970997557 /nfs/dbraw/zinc/99/75/57/970997557.db2.gz GTACBILZNHVTPO-UHFFFAOYSA-N 1 3 247.342 1.381 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082544 971091911 /nfs/dbraw/zinc/09/19/11/971091911.db2.gz AAWGQDFKYQIHKP-YFKTTZPYSA-N 1 3 214.353 1.469 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257082544 971091922 /nfs/dbraw/zinc/09/19/22/971091922.db2.gz AAWGQDFKYQIHKP-YFKTTZPYSA-N 1 3 214.353 1.469 20 0 BDADHO CC(C)[NH+]1CCC(N2CCCC[C@@H]2CO)CC1 ZINC001257213522 971129713 /nfs/dbraw/zinc/12/97/13/971129713.db2.gz PEPXQXRCWQVCFX-CQSZACIVSA-N 1 3 240.391 1.706 20 0 BDADHO CC(C)[NH+]1CCC(N2C[C@H](O)[C@@H](C)C2)CC1 ZINC001257215137 971131327 /nfs/dbraw/zinc/13/13/27/971131327.db2.gz SUADGFQJDRAWRZ-AAEUAGOBSA-N 1 3 226.364 1.172 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)C(C)C ZINC000405214801 971209651 /nfs/dbraw/zinc/20/96/51/971209651.db2.gz JPKWJFKNCINXJB-IJLUTSLNSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405214801 971209660 /nfs/dbraw/zinc/20/96/60/971209660.db2.gz JPKWJFKNCINXJB-IJLUTSLNSA-N 1 3 226.364 1.517 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCc2ccco2)C12CCC2 ZINC000405259762 971222636 /nfs/dbraw/zinc/22/26/36/971222636.db2.gz IIIFNZMLTFNVLP-NEPJUHHUSA-N 1 3 220.316 1.682 20 0 BDADHO C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405294387 971232216 /nfs/dbraw/zinc/23/22/16/971232216.db2.gz FMYREWQOKAEESN-WOPDTQHZSA-N 1 3 234.347 1.131 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCOCC2CC2)C12CCC2 ZINC000405432337 971255572 /nfs/dbraw/zinc/25/55/72/971255572.db2.gz SOYUJDONZMIRQW-VXGBXAGGSA-N 1 3 224.348 1.273 20 0 BDADHO COC[C@H]([NH2+][C@H]1C[C@H](N)C12CCC2)C(C)C ZINC000405444212 971260806 /nfs/dbraw/zinc/26/08/06/971260806.db2.gz WDSVYIBCCRMXOU-SRVKXCTJSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H](OC[C@@H]1COC(C)(C)N1)C1CC[NH2+]CC1 ZINC001217777522 971401281 /nfs/dbraw/zinc/40/12/81/971401281.db2.gz LMSQZBUYLOEAQV-CMPLNLGQSA-N 1 3 242.363 1.116 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172103668 974367744 /nfs/dbraw/zinc/36/77/44/974367744.db2.gz WKQZYDKUPPMYIT-YIYPIFLZSA-N 1 3 239.407 1.541 20 0 BDADHO C[C@]1(C(=O)Nc2cccc3c2CNC3)CC[NH2+]C1 ZINC001218992757 971972337 /nfs/dbraw/zinc/97/23/37/971972337.db2.gz DUQIDMUODBXDDE-AWEZNQCLSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H]([NH3+])CCNc1ccc(CN(C)C)cn1 ZINC001170888771 972043955 /nfs/dbraw/zinc/04/39/55/972043955.db2.gz CPKJTTRLRCQGMH-SNVBAGLBSA-N 1 3 222.336 1.292 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2ccncc2c1 ZINC001170899243 972058089 /nfs/dbraw/zinc/05/80/89/972058089.db2.gz IUOFWQXFXIQGEW-ZDUSSCGKSA-N 1 3 230.315 1.670 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1ccc2[nH]ccc2c1 ZINC001170899656 972060015 /nfs/dbraw/zinc/06/00/15/972060015.db2.gz KNZMXPCBNORCBD-GFCCVEGCSA-N 1 3 218.304 1.604 20 0 BDADHO N[C@H](CCC[NH3+])Nc1cccc(-n2cccc2)c1 ZINC001170899255 972061380 /nfs/dbraw/zinc/06/13/80/972061380.db2.gz IVKGQATVXBGOEB-AWEZNQCLSA-N 1 3 244.342 1.913 20 0 BDADHO CCOc1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170900567 972062955 /nfs/dbraw/zinc/06/29/55/972062955.db2.gz WKYAGMAVOVLZNN-GFCCVEGCSA-N 1 3 223.320 1.521 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1cccc2c1CCN2 ZINC001170901079 972069258 /nfs/dbraw/zinc/06/92/58/972069258.db2.gz VPCFHHFQKAMIIM-GFCCVEGCSA-N 1 3 220.320 1.090 20 0 BDADHO N[C@H](CCC[NH3+])Nc1cc2[nH]cnc2cc1F ZINC001170907114 972081619 /nfs/dbraw/zinc/08/16/19/972081619.db2.gz ZRAQTVPVGHHPLD-NSHDSACASA-N 1 3 237.282 1.138 20 0 BDADHO C[C@@H](N)c1nccn1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246078829 972133583 /nfs/dbraw/zinc/13/35/83/972133583.db2.gz BIGKSZWEHZGTTB-OPRDCNLKSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@@H](N)c1nccn1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246078815 972134292 /nfs/dbraw/zinc/13/42/92/972134292.db2.gz BIGKSZWEHZGTTB-BBBLOLIVSA-N 1 3 208.309 1.216 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246089736 972144181 /nfs/dbraw/zinc/14/41/81/972144181.db2.gz SDUDSVDPTOXKOC-DGCLKSJQSA-N 1 3 248.374 1.425 20 0 BDADHO C[C@H]1CCC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086019 972139865 /nfs/dbraw/zinc/13/98/65/972139865.db2.gz YSXJVMLXCDEMBV-ZDEQEGDKSA-N 1 3 244.354 1.217 20 0 BDADHO C1CN2CCC1C[C@H](N[C@@H]1CCCC[NH2+]C1)C2 ZINC001246091924 972146088 /nfs/dbraw/zinc/14/60/88/972146088.db2.gz RAAYMROMBLYENU-KGLIPLIRSA-N 1 3 237.391 1.202 20 0 BDADHO CC[C@@H](C)OCC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246115159 972177113 /nfs/dbraw/zinc/17/71/13/972177113.db2.gz XUKFDXXLACDIIX-RNJOBUHISA-N 1 3 246.370 1.870 20 0 BDADHO C[C@H]1CC[C@H](CNC2CCSCC2)[NH2+]C1 ZINC001246110157 972175482 /nfs/dbraw/zinc/17/54/82/972175482.db2.gz HLLOJDCNLCWBAW-CMPLNLGQSA-N 1 3 228.405 1.860 20 0 BDADHO COc1cccc(CCN[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246119246 972181980 /nfs/dbraw/zinc/18/19/80/972181980.db2.gz JADBSJGXWNDONT-WCQYABFASA-N 1 3 249.358 1.363 20 0 BDADHO O=C1C[C@H]2C[C@H]([NH2+][C@@H]3CNCC34CC4)C[C@H]2C1 ZINC001246134580 972192156 /nfs/dbraw/zinc/19/21/56/972192156.db2.gz RHVOCMOJJMLSLI-MPPDQPJWSA-N 1 3 234.343 1.086 20 0 BDADHO O=C1C[C@H]2C[C@H]([NH2+][C@H]3CNCC34CC4)C[C@H]2C1 ZINC001246134607 972191454 /nfs/dbraw/zinc/19/14/54/972191454.db2.gz RHVOCMOJJMLSLI-WGBDABJCSA-N 1 3 234.343 1.086 20 0 BDADHO COC(=O)C1(CN[C@H]2CC[NH2+][C@@H](C)C2)CCC1 ZINC001246179713 972208168 /nfs/dbraw/zinc/20/81/68/972208168.db2.gz FFXBZYCOBOTTSG-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)C1(C[NH2+][C@H]2CCN[C@@H](C)C2)CCC1 ZINC001246179713 972208174 /nfs/dbraw/zinc/20/81/74/972208174.db2.gz FFXBZYCOBOTTSG-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO CCC1(NC(=O)[C@H](N)CCC[NH3+])CCCCC1 ZINC001220337601 972211346 /nfs/dbraw/zinc/21/13/46/972211346.db2.gz VPISJAVTAVRELR-LLVKDONJSA-N 1 3 241.379 1.282 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H](CO)C(C)(C)C)CCN1 ZINC001246236564 972242330 /nfs/dbraw/zinc/24/23/30/972242330.db2.gz PWOZYAPOQBAOQI-DCAQKATOSA-N 1 3 214.353 1.124 20 0 BDADHO C[C@H]1C[C@@H](N[C@@H](CO)C(C)(C)C)CC[NH2+]1 ZINC001246236564 972242337 /nfs/dbraw/zinc/24/23/37/972242337.db2.gz PWOZYAPOQBAOQI-DCAQKATOSA-N 1 3 214.353 1.124 20 0 BDADHO CN1CC=C(Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC001208718749 957135167 /nfs/dbraw/zinc/13/51/67/957135167.db2.gz LNXUQULUHKZDRC-UHFFFAOYSA-N 1 3 249.362 1.076 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(CCCOC)C[C@H]2C1 ZINC001209055442 957307736 /nfs/dbraw/zinc/30/77/36/957307736.db2.gz YPLYDOFZEJVNCS-BETUJISGSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@H](Cc1cccnc1)NCC[C@H](C)[NH3+] ZINC001246306900 972267688 /nfs/dbraw/zinc/26/76/88/972267688.db2.gz UDQHZZKXUQXGLZ-WDEREUQCSA-N 1 3 207.321 1.340 20 0 BDADHO Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13CNC3)CC2 ZINC001246445449 972314019 /nfs/dbraw/zinc/31/40/19/972314019.db2.gz OHLLIHQZAFXKRY-GJZGRUSLSA-N 1 3 242.366 1.804 20 0 BDADHO Fc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13CNC3)C2 ZINC001246447917 972320641 /nfs/dbraw/zinc/32/06/41/972320641.db2.gz XQKOHNXREGSMJW-UONOGXRCSA-N 1 3 246.329 1.635 20 0 BDADHO Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13CNC3)C2 ZINC001246447916 972321331 /nfs/dbraw/zinc/32/13/31/972321331.db2.gz XQKOHNXREGSMJW-KGLIPLIRSA-N 1 3 246.329 1.635 20 0 BDADHO COc1cnccc1CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246474885 972348459 /nfs/dbraw/zinc/34/84/59/972348459.db2.gz CDMBPBJRJYRPSU-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO COc1cnccc1CC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246474885 972348465 /nfs/dbraw/zinc/34/84/65/972348465.db2.gz CDMBPBJRJYRPSU-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CCOC3)C2)CCN1 ZINC000707613287 958624381 /nfs/dbraw/zinc/62/43/81/958624381.db2.gz SEYXTVPMJVDDCI-AGIUHOORSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CCOC3)C2)CCN1 ZINC000707613287 958624397 /nfs/dbraw/zinc/62/43/97/958624397.db2.gz SEYXTVPMJVDDCI-AGIUHOORSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CCOC3)C2)CCN1 ZINC000707613289 958626218 /nfs/dbraw/zinc/62/62/18/958626218.db2.gz SEYXTVPMJVDDCI-JHJVBQTASA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CCOC3)C2)CCN1 ZINC000707613289 958626241 /nfs/dbraw/zinc/62/62/41/958626241.db2.gz SEYXTVPMJVDDCI-JHJVBQTASA-N 1 3 224.348 1.239 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H](O)CC2CCCC2)C1 ZINC000300028617 959813703 /nfs/dbraw/zinc/81/37/03/959813703.db2.gz JMZAMOFSPQOQHK-UONOGXRCSA-N 1 3 240.391 1.598 20 0 BDADHO CO[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000300038223 959826952 /nfs/dbraw/zinc/82/69/52/959826952.db2.gz FCQNOVKGRDTLTP-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CC[C@@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC000708874767 960002507 /nfs/dbraw/zinc/00/25/07/960002507.db2.gz LSBPDULUYBABJV-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC000708874767 960002512 /nfs/dbraw/zinc/00/25/12/960002512.db2.gz LSBPDULUYBABJV-UMSGYPCISA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H]1CN(CC2CC[NH2+]CC2)CCCC1=O ZINC001207436937 960091005 /nfs/dbraw/zinc/09/10/05/960091005.db2.gz XCHBZORQSODNSR-NSHDSACASA-N 1 3 224.348 1.287 20 0 BDADHO NCC(C[NH3+])NCc1ccccc1C(F)(F)F ZINC000695339144 960202127 /nfs/dbraw/zinc/20/21/27/960202127.db2.gz BOQAUAQVVLQXOT-UHFFFAOYSA-N 1 3 247.264 1.081 20 0 BDADHO C1C[C@H]2CC(N[C@H]3CCCOC3)C[C@@H]1[NH2+]2 ZINC000709404304 960581964 /nfs/dbraw/zinc/58/19/64/960581964.db2.gz IWFAMCYAOMLMIL-PSIUFMSWSA-N 1 3 210.321 1.038 20 0 BDADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000709449311 960616520 /nfs/dbraw/zinc/61/65/20/960616520.db2.gz RDZGQYKWQKUZSM-PBWFPOADSA-N 1 3 231.343 1.497 20 0 BDADHO [NH3+]CC1(F)CCN(Cc2ccc[nH]2)CC1 ZINC001222532528 960681273 /nfs/dbraw/zinc/68/12/73/960681273.db2.gz MQHKSNXGOPPQCJ-UHFFFAOYSA-N 1 3 211.284 1.278 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167902716 961659634 /nfs/dbraw/zinc/65/96/34/961659634.db2.gz NVILNQRWPLHREM-LOWDOPEQSA-N 1 3 208.349 1.859 20 0 BDADHO CN(C)CCC[N@H+](C)Cc1cccc2nonc21 ZINC001203124787 961802123 /nfs/dbraw/zinc/80/21/23/961802123.db2.gz XHTOFSUTONYHDG-UHFFFAOYSA-N 1 3 248.330 1.606 20 0 BDADHO CN(C)CCC[N@@H+](C)Cc1cccc2nonc21 ZINC001203124787 961802128 /nfs/dbraw/zinc/80/21/28/961802128.db2.gz XHTOFSUTONYHDG-UHFFFAOYSA-N 1 3 248.330 1.606 20 0 BDADHO Cn1cnc2cc(CNCCC(C)(C)[NH3+])ccc21 ZINC000258915571 962098287 /nfs/dbraw/zinc/09/82/87/962098287.db2.gz NUUVDNNAUAXFSG-UHFFFAOYSA-N 1 3 246.358 1.790 20 0 BDADHO N[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648164 962598750 /nfs/dbraw/zinc/59/87/50/962598750.db2.gz MGHNZKOQMHTRAL-QWRGUYRKSA-N 1 3 247.333 1.044 20 0 BDADHO Cc1cc(C)nc(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001155461382 963085659 /nfs/dbraw/zinc/08/56/59/963085659.db2.gz DALDMBNOLSPQRH-LBPRGKRZSA-N 1 3 247.342 1.489 20 0 BDADHO CCC[N@@H+](CCCN)[C@H]1CCO[C@H](C)C1 ZINC001168074090 963608207 /nfs/dbraw/zinc/60/82/07/963608207.db2.gz HCVJKZVKMHEISD-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@H+](CCCN)[C@H]1CCO[C@H](C)C1 ZINC001168074090 963608202 /nfs/dbraw/zinc/60/82/02/963608202.db2.gz HCVJKZVKMHEISD-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(N(C)C)ccn1 ZINC001157740970 963712978 /nfs/dbraw/zinc/71/29/78/963712978.db2.gz JAVCCNFHCNZFPP-PWSUYJOCSA-N 1 3 234.347 1.464 20 0 BDADHO C[C@H](N)c1ccn(C2CCC([NH+](C)C)CC2)n1 ZINC001168298181 964392903 /nfs/dbraw/zinc/39/29/03/964392903.db2.gz CVODYAJANDZMNL-UNXYVOJBSA-N 1 3 236.363 1.948 20 0 BDADHO CC(C)([NH3+])c1ccccc1-n1cnc(CN)c1 ZINC001162304727 964919174 /nfs/dbraw/zinc/91/91/74/964919174.db2.gz RFAMKCIBMYJEPU-UHFFFAOYSA-N 1 3 230.315 1.525 20 0 BDADHO c1cc2c(c(N[C@@]34CCC[C@@H]3[NH2+]CC4)n1)CCN2 ZINC001162978188 965215151 /nfs/dbraw/zinc/21/51/51/965215151.db2.gz UEJHZJSRUBBQNU-GXTWGEPZSA-N 1 3 244.342 1.746 20 0 BDADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000698774934 965499289 /nfs/dbraw/zinc/49/92/89/965499289.db2.gz MLTLMTXRILUAKD-UXCLJVHYSA-N 1 3 248.317 1.468 20 0 BDADHO Cc1cc(CN)nn1-c1cccc(C[NH+](C)C)n1 ZINC001163982069 965675468 /nfs/dbraw/zinc/67/54/68/965675468.db2.gz XJDBJRFHUUSPKL-UHFFFAOYSA-N 1 3 245.330 1.096 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(N(C)C)ccn2)C1 ZINC001164070935 965728915 /nfs/dbraw/zinc/72/89/15/965728915.db2.gz QKWBFEHLDNSRQZ-YPMHNXCESA-N 1 3 248.374 1.711 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715176504 965771552 /nfs/dbraw/zinc/77/15/52/965771552.db2.gz DZMJOJRMFKERAZ-AGIUHOORSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](CN[C@H]1CO[C@H](C2CC2)C1)C[NH+](C)C ZINC000691287912 965912521 /nfs/dbraw/zinc/91/25/21/965912521.db2.gz VIQMSBQNHIFMDV-RTXFEEFZSA-N 1 3 226.364 1.341 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000699500007 965924037 /nfs/dbraw/zinc/92/40/37/965924037.db2.gz ZOPDAKVBMZWGOL-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000699500007 965924053 /nfs/dbraw/zinc/92/40/53/965924053.db2.gz ZOPDAKVBMZWGOL-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H]1CN(Cc2cccn3ccnc23)C[C@H]1C[NH3+] ZINC001205140955 966025868 /nfs/dbraw/zinc/02/58/68/966025868.db2.gz UUNHOHCFRBIWAG-WCQYABFASA-N 1 3 244.342 1.361 20 0 BDADHO CCCC[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166851436 966432931 /nfs/dbraw/zinc/43/29/31/966432931.db2.gz AHPFDFYKGRGQQB-LBPRGKRZSA-N 1 3 243.395 1.223 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc2c[nH]ccc-2n1 ZINC001205191032 966804509 /nfs/dbraw/zinc/80/45/09/966804509.db2.gz UUMNTLLZWLPZGA-BXKDBHETSA-N 1 3 230.315 1.484 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc2cnccc2[nH]1 ZINC001205191032 966804510 /nfs/dbraw/zinc/80/45/10/966804510.db2.gz UUMNTLLZWLPZGA-BXKDBHETSA-N 1 3 230.315 1.484 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC001204081989 966885666 /nfs/dbraw/zinc/88/56/66/966885666.db2.gz XOOGGFZITZNQAM-UHFFFAOYSA-N 1 3 231.343 1.609 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1ccncc1)CC2 ZINC001204081989 966885670 /nfs/dbraw/zinc/88/56/70/966885670.db2.gz XOOGGFZITZNQAM-UHFFFAOYSA-N 1 3 231.343 1.609 20 0 BDADHO CC(C)CNC(=O)CN(C)CCCCCC[NH3+] ZINC000383645969 966903493 /nfs/dbraw/zinc/90/34/93/966903493.db2.gz GKZVDKIJJSDGKK-UHFFFAOYSA-N 1 3 243.395 1.210 20 0 BDADHO CS[C@@H](C)CC[N@@H+]1CC[C@](C)(N)C1 ZINC001204763035 967152816 /nfs/dbraw/zinc/15/28/16/967152816.db2.gz FGSXBBSXQXFMMI-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO CS[C@@H](C)CC[N@H+]1CC[C@](C)(N)C1 ZINC001204763035 967152826 /nfs/dbraw/zinc/15/28/26/967152826.db2.gz FGSXBBSXQXFMMI-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO N[C@H]1CN(CCC[NH2+]C2CCCCC2)C[C@H]1F ZINC001204821000 967183624 /nfs/dbraw/zinc/18/36/24/967183624.db2.gz XIMIFKDJHRJJLH-OLZOCXBDSA-N 1 3 243.370 1.280 20 0 BDADHO COc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CN)cc1N ZINC001205076771 967326385 /nfs/dbraw/zinc/32/63/85/967326385.db2.gz VSMVBFBLVJATJU-JQWIXIFHSA-N 1 3 249.358 1.589 20 0 BDADHO COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CN)cc1N ZINC001205076771 967326394 /nfs/dbraw/zinc/32/63/94/967326394.db2.gz VSMVBFBLVJATJU-JQWIXIFHSA-N 1 3 249.358 1.589 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCN1CC1C[C@H](C)O[C@@H](C)C1 ZINC001205177140 967413212 /nfs/dbraw/zinc/41/32/12/967413212.db2.gz AIOMVYSEDCIMTE-MEWQQHAOSA-N 1 3 226.364 1.612 20 0 BDADHO Cc1ccc(O)c(CN2CCC[C@](C)([NH3+])CC2)n1 ZINC001205280699 967470941 /nfs/dbraw/zinc/47/09/41/967470941.db2.gz GOYFUCLNYLEYOL-AWEZNQCLSA-N 1 3 249.358 1.799 20 0 BDADHO Cc1ncc(CN2CCC[C@@](C)([NH3+])CC2)[nH]1 ZINC001205281285 967471227 /nfs/dbraw/zinc/47/12/27/967471227.db2.gz RODPIQBXPHPGBM-GFCCVEGCSA-N 1 3 222.336 1.421 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168704804 967549384 /nfs/dbraw/zinc/54/93/84/967549384.db2.gz PFHIPXGATBNXCN-KOLCDFICSA-N 1 3 238.762 1.992 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2cnco2)CC1 ZINC001205570081 967698348 /nfs/dbraw/zinc/69/83/48/967698348.db2.gz FCTXCYFOGXWXOY-NSHDSACASA-N 1 3 227.283 1.328 20 0 BDADHO C[C@@H]1[C@@H](CN)CCC[N@@H+]1CCCCCO ZINC001205902256 967880354 /nfs/dbraw/zinc/88/03/54/967880354.db2.gz JIMWHUVPZNFNAP-VXGBXAGGSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@@H]1[C@@H](CN)CCC[N@H+]1CCCCCO ZINC001205902256 967880356 /nfs/dbraw/zinc/88/03/56/967880356.db2.gz JIMWHUVPZNFNAP-VXGBXAGGSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@H]1CN(Cc2ncc[nH]2)CCC[C@@H]1C[NH3+] ZINC001205992138 967942883 /nfs/dbraw/zinc/94/28/83/967942883.db2.gz DUXUDMGDFVJQJH-WDEREUQCSA-N 1 3 222.336 1.217 20 0 BDADHO C[C@H]1CN(Cc2nccs2)CCC[C@H]1C[NH3+] ZINC001205992926 967953028 /nfs/dbraw/zinc/95/30/28/967953028.db2.gz GFIAOJLOJIKNQU-QWRGUYRKSA-N 1 3 239.388 1.950 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCC(C)(C)F ZINC000698235473 968055117 /nfs/dbraw/zinc/05/51/17/968055117.db2.gz FCSKFQAYLJQWMB-NXEZZACHSA-N 1 3 202.317 1.855 20 0 BDADHO N[C@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163525 968102494 /nfs/dbraw/zinc/10/24/94/968102494.db2.gz DEMOOEZOKVEPQP-OLZOCXBDSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@H]1F ZINC001206163525 968102501 /nfs/dbraw/zinc/10/25/01/968102501.db2.gz DEMOOEZOKVEPQP-OLZOCXBDSA-N 1 3 238.306 1.653 20 0 BDADHO C[NH+](C)CC(C)(C)CNc1ccnc(CN)c1 ZINC001168768233 968569535 /nfs/dbraw/zinc/56/95/35/968569535.db2.gz ATNVCLZWHQGBTB-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO Cc1ncccc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001207153778 968661682 /nfs/dbraw/zinc/66/16/82/968661682.db2.gz LACFTTHFEXICDI-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1ncccc1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001207153778 968661685 /nfs/dbraw/zinc/66/16/85/968661685.db2.gz LACFTTHFEXICDI-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)CCCC1=O ZINC001207391619 968745162 /nfs/dbraw/zinc/74/51/62/968745162.db2.gz JGJNRZYVVFAKMB-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)CCCC1=O ZINC001207391619 968745172 /nfs/dbraw/zinc/74/51/72/968745172.db2.gz JGJNRZYVVFAKMB-GFCCVEGCSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@H+](CCCN(C)C)C[C@@H]1CCCO1 ZINC000336652045 968817026 /nfs/dbraw/zinc/81/70/26/968817026.db2.gz WCDDVSMGIVYYNZ-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CC[N@@H+](CCCN(C)C)C[C@@H]1CCCO1 ZINC000336652045 968817031 /nfs/dbraw/zinc/81/70/31/968817031.db2.gz WCDDVSMGIVYYNZ-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO COC1CC(C[NH2+]C[C@@H]2CN3CCC2CC3)C1 ZINC001207724291 968869033 /nfs/dbraw/zinc/86/90/33/968869033.db2.gz WCBKOCFHQUOZEW-HRDQMINSSA-N 1 3 238.375 1.343 20 0 BDADHO COC1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001207836616 968896518 /nfs/dbraw/zinc/89/65/18/968896518.db2.gz KARBTFVSPVSBSF-UHYZFRFASA-N 1 3 224.348 1.094 20 0 BDADHO CCC[C@@H](O)C[NH2+]CCCN1CCC(C)CC1 ZINC001252799094 968980989 /nfs/dbraw/zinc/98/09/89/968980989.db2.gz PNCDYKNMINBFLN-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@@H](O)CNCCC[NH+]1CCC(C)CC1 ZINC001252799094 968980994 /nfs/dbraw/zinc/98/09/94/968980994.db2.gz PNCDYKNMINBFLN-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000405352357 968987021 /nfs/dbraw/zinc/98/70/21/968987021.db2.gz OYFNWXMBSCAGOF-KKOKHZNYSA-N 1 3 224.348 1.149 20 0 BDADHO C[C@@H]1CN(CC2(C)CC[NH+](C)CC2)[C@H](C)CO1 ZINC001208108697 969001138 /nfs/dbraw/zinc/00/11/38/969001138.db2.gz HALLVBAMHAOGEN-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H]1COCCN1CC1(C)CC[NH+](C)CC1 ZINC001208109616 969004924 /nfs/dbraw/zinc/00/49/24/969004924.db2.gz QJDWNJVZKXZDSM-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC001253410661 969166555 /nfs/dbraw/zinc/16/65/55/969166555.db2.gz OVDWULFWOCHDER-NEPJUHHUSA-N 1 3 226.364 1.434 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@@H]1CC=CCC1 ZINC001253410661 969166561 /nfs/dbraw/zinc/16/65/61/969166561.db2.gz OVDWULFWOCHDER-NEPJUHHUSA-N 1 3 226.364 1.434 20 0 BDADHO CC(C)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169080978 969402923 /nfs/dbraw/zinc/40/29/23/969402923.db2.gz OJPDRTFSYHQQKT-CLLJXQQHSA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)OCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169080978 969402927 /nfs/dbraw/zinc/40/29/27/969402927.db2.gz OJPDRTFSYHQQKT-CLLJXQQHSA-N 1 3 226.364 1.626 20 0 BDADHO CC[N@H+](C1CN(C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154232 969473891 /nfs/dbraw/zinc/47/38/91/969473891.db2.gz OSWICGZUPMESJX-CLLJXQQHSA-N 1 3 237.391 1.248 20 0 BDADHO CC[N@@H+](C1CN(C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169154232 969473900 /nfs/dbraw/zinc/47/39/00/969473900.db2.gz OSWICGZUPMESJX-CLLJXQQHSA-N 1 3 237.391 1.248 20 0 BDADHO CN([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160887 969481352 /nfs/dbraw/zinc/48/13/52/969481352.db2.gz MGHIVTCZMGFTMD-CRWXNKLISA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@H]1CCCOC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160887 969481365 /nfs/dbraw/zinc/48/13/65/969481365.db2.gz MGHIVTCZMGFTMD-CRWXNKLISA-N 1 3 238.375 1.722 20 0 BDADHO CC(C)c1cn(CCCC[NH2+]CCCN)nn1 ZINC001254163723 969533546 /nfs/dbraw/zinc/53/35/46/969533546.db2.gz WSZOEHVFVUSRGK-UHFFFAOYSA-N 1 3 239.367 1.120 20 0 BDADHO CCN1CCC([N@H+](C)[C@H]2CCN(C)C2)CC1 ZINC001169258734 969544555 /nfs/dbraw/zinc/54/45/55/969544555.db2.gz PJVJMLGVCRBDKA-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CCC([N@@H+](C)[C@H]2CCN(C)C2)CC1 ZINC001169258734 969544560 /nfs/dbraw/zinc/54/45/60/969544560.db2.gz PJVJMLGVCRBDKA-ZDUSSCGKSA-N 1 3 225.380 1.107 20 0 BDADHO NCc1cnnn1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001169309852 969586312 /nfs/dbraw/zinc/58/63/12/969586312.db2.gz MAXWHKKGDHRKOX-ZDUSSCGKSA-N 1 3 243.314 1.151 20 0 BDADHO CN1CCC[C@@H]([NH2+]C2(CF)CC2)CC1 ZINC001254498344 969661960 /nfs/dbraw/zinc/66/19/60/969661960.db2.gz WCMZBHKOMDFHPX-SNVBAGLBSA-N 1 3 200.301 1.562 20 0 BDADHO C[N@@H+]1CCC[C@@H](NCCOc2ccncc2)CC1 ZINC001254515330 969689108 /nfs/dbraw/zinc/68/91/08/969689108.db2.gz WEYLHJWDHFQLBK-CYBMUJFWSA-N 1 3 249.358 1.534 20 0 BDADHO C[N@H+]1CCC[C@@H](NCCOc2ccncc2)CC1 ZINC001254515330 969689114 /nfs/dbraw/zinc/68/91/14/969689114.db2.gz WEYLHJWDHFQLBK-CYBMUJFWSA-N 1 3 249.358 1.534 20 0 BDADHO C[N@@H+]1CCC[C@H](n2cnc3c2CNCC3)CC1 ZINC001254515825 969691405 /nfs/dbraw/zinc/69/14/05/969691405.db2.gz DQRFWFPVBIHSDU-NSHDSACASA-N 1 3 234.347 1.186 20 0 BDADHO C[N@H+]1CCC[C@H](n2cnc3c2CNCC3)CC1 ZINC001254515825 969691407 /nfs/dbraw/zinc/69/14/07/969691407.db2.gz DQRFWFPVBIHSDU-NSHDSACASA-N 1 3 234.347 1.186 20 0 BDADHO C[N@@H+]1CCC[C@H](N2CC3(C2)CCOCC3)CC1 ZINC001254522557 969706531 /nfs/dbraw/zinc/70/65/31/969706531.db2.gz HBRVGIGBDQBNLQ-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@H](N2CC3(C2)CCOCC3)CC1 ZINC001254522557 969706546 /nfs/dbraw/zinc/70/65/46/969706546.db2.gz HBRVGIGBDQBNLQ-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254529861 969729471 /nfs/dbraw/zinc/72/94/71/969729471.db2.gz RTECDAVKWKXICE-MELADBBJSA-N 1 3 237.391 1.249 20 0 BDADHO CN1[C@@H]2CC[C@H]1CN([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254529861 969729475 /nfs/dbraw/zinc/72/94/75/969729475.db2.gz RTECDAVKWKXICE-MELADBBJSA-N 1 3 237.391 1.249 20 0 BDADHO CCC[N@H+](CCCN)[C@H]1CCSC1 ZINC001255268303 970020630 /nfs/dbraw/zinc/02/06/30/970020630.db2.gz DKKLCOJMAXSYGT-JTQLQIEISA-N 1 3 202.367 1.553 20 0 BDADHO CCC[N@@H+](CCCN)[C@H]1CCSC1 ZINC001255268303 970020642 /nfs/dbraw/zinc/02/06/42/970020642.db2.gz DKKLCOJMAXSYGT-JTQLQIEISA-N 1 3 202.367 1.553 20 0 BDADHO CCCCCN1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255437258 970166992 /nfs/dbraw/zinc/16/69/92/970166992.db2.gz ZLQDBLVEHBZZNP-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCCCCN1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255437258 970166997 /nfs/dbraw/zinc/16/69/97/970166997.db2.gz ZLQDBLVEHBZZNP-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CCCN(CCC[NH+](C)C)[C@@H](C)COC ZINC001255582927 970390678 /nfs/dbraw/zinc/39/06/78/970390678.db2.gz DYDITAFQCRYQBK-LBPRGKRZSA-N 1 3 216.369 1.685 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC[C@H](C)O ZINC001255950743 970566354 /nfs/dbraw/zinc/56/63/54/970566354.db2.gz KOSJEKZFTWJVBI-RYUDHWBXSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@@H](CO)[NH2+][C@H](C)CCN(CC)CC ZINC001255939172 970570336 /nfs/dbraw/zinc/57/03/36/970570336.db2.gz CTCUPHYNNVVIJQ-NEPJUHHUSA-N 1 3 216.369 1.467 20 0 BDADHO CC[C@@H](CO)N[C@H](C)CC[NH+](CC)CC ZINC001255939172 970570349 /nfs/dbraw/zinc/57/03/49/970570349.db2.gz CTCUPHYNNVVIJQ-NEPJUHHUSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001255941390 970570555 /nfs/dbraw/zinc/57/05/55/970570555.db2.gz PQFKIOHOKXQDBH-FRRDWIJNSA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC001255941876 970572125 /nfs/dbraw/zinc/57/21/25/970572125.db2.gz YSQGEMJRMMKJCW-BFHYXJOUSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1 ZINC001255942596 970577262 /nfs/dbraw/zinc/57/72/62/970577262.db2.gz GBJYLGAYXJJEQW-RWMBFGLXSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H](NCc1nccs1)C1CC[NH2+]CC1 ZINC000400325637 970577940 /nfs/dbraw/zinc/57/79/40/970577940.db2.gz DGPYRMQTOQVROZ-VIFPVBQESA-N 1 3 225.361 1.621 20 0 BDADHO CC(C)[N@H+](CCN)C1CCN(C2CC2)CC1 ZINC001256067451 970631291 /nfs/dbraw/zinc/63/12/91/970631291.db2.gz OZCUQWZCCZFIMV-UHFFFAOYSA-N 1 3 225.380 1.282 20 0 BDADHO CC(C)[N@@H+](CCN)C1CCN(C2CC2)CC1 ZINC001256067451 970631295 /nfs/dbraw/zinc/63/12/95/970631295.db2.gz OZCUQWZCCZFIMV-UHFFFAOYSA-N 1 3 225.380 1.282 20 0 BDADHO CN1CC(CNc2ccc(C[NH+](C)C)cn2)C1 ZINC001170253751 970657858 /nfs/dbraw/zinc/65/78/58/970657858.db2.gz QSVPIRMMCCAJPO-UHFFFAOYSA-N 1 3 234.347 1.117 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]C[C@@H](C)CN)c1 ZINC001256152960 970674910 /nfs/dbraw/zinc/67/49/10/970674910.db2.gz FUSVWAGCZLXDBL-RYUDHWBXSA-N 1 3 236.359 1.811 20 0 BDADHO CN1CCC([N@@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001256207452 970711301 /nfs/dbraw/zinc/71/13/01/970711301.db2.gz KJYAIUXUFLZVON-CQSZACIVSA-N 1 3 237.391 1.251 20 0 BDADHO CN1CCC([N@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001256207452 970711316 /nfs/dbraw/zinc/71/13/16/970711316.db2.gz KJYAIUXUFLZVON-CQSZACIVSA-N 1 3 237.391 1.251 20 0 BDADHO CO[C@H](C)C1CN(C2CC[NH+](C)CC2)C1 ZINC001256211488 970718185 /nfs/dbraw/zinc/71/81/85/970718185.db2.gz YIMOTUQXFOCMPS-SNVBAGLBSA-N 1 3 212.337 1.047 20 0 BDADHO Cc1ccncc1CN1CCC(F)(C[NH3+])CC1 ZINC001222537997 972551136 /nfs/dbraw/zinc/55/11/36/972551136.db2.gz KMKGADXTLLHOGH-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO CC(C)C1CCC([N@@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246560735 972791293 /nfs/dbraw/zinc/79/12/93/972791293.db2.gz SQAMVHXGPYLKSU-NWINJMCUSA-N 1 3 240.391 1.595 20 0 BDADHO CC(C)C1CCC([N@H+]2CC[C@@H](N)[C@H](O)C2)CC1 ZINC001246560735 972791307 /nfs/dbraw/zinc/79/13/07/972791307.db2.gz SQAMVHXGPYLKSU-NWINJMCUSA-N 1 3 240.391 1.595 20 0 BDADHO CC(C)C1CCC(N2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560735 972791311 /nfs/dbraw/zinc/79/13/11/972791311.db2.gz SQAMVHXGPYLKSU-NWINJMCUSA-N 1 3 240.391 1.595 20 0 BDADHO CC(C)C1CCC([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246583202 972951049 /nfs/dbraw/zinc/95/10/49/972951049.db2.gz IOTWHWOXXCXAIV-YIOUJQMASA-N 1 3 240.391 1.453 20 0 BDADHO CC(C)C1CCC([N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246583202 972951085 /nfs/dbraw/zinc/95/10/85/972951085.db2.gz IOTWHWOXXCXAIV-YIOUJQMASA-N 1 3 240.391 1.453 20 0 BDADHO CC(C)CC[C@H](C)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246627681 973045374 /nfs/dbraw/zinc/04/53/74/973045374.db2.gz YKAOBRAFFYBWCK-BFHYXJOUSA-N 1 3 240.391 1.731 20 0 BDADHO C[NH2+][C@H](C)CCN[C@H](C)[C@H]1CCCO1 ZINC001329022576 973432626 /nfs/dbraw/zinc/43/26/26/973432626.db2.gz FUIGSHKGYDFYLE-GMTAPVOTSA-N 1 3 200.326 1.142 20 0 BDADHO C[N@@H+]1CCC[C@H]1CO[C@@H]1CN2CCC1CC2 ZINC001224817203 973990779 /nfs/dbraw/zinc/99/07/79/973990779.db2.gz JLRZCWWDCULSCZ-QWHCGFSZSA-N 1 3 224.348 1.191 20 0 BDADHO C[N@H+]1CCC[C@H]1CO[C@@H]1CN2CCC1CC2 ZINC001224817203 973990791 /nfs/dbraw/zinc/99/07/91/973990791.db2.gz JLRZCWWDCULSCZ-QWHCGFSZSA-N 1 3 224.348 1.191 20 0 BDADHO [NH3+]C1CC(N[C@H]2CCc3c(F)cccc3C2)C1 ZINC001171410721 974019306 /nfs/dbraw/zinc/01/93/06/974019306.db2.gz WYJDYJZSALPNGE-CXQJBGSLSA-N 1 3 234.318 1.762 20 0 BDADHO NC1CC([NH2+][C@H]2CCc3c(F)cccc3C2)C1 ZINC001171410721 974019320 /nfs/dbraw/zinc/01/93/20/974019320.db2.gz WYJDYJZSALPNGE-CXQJBGSLSA-N 1 3 234.318 1.762 20 0 BDADHO CN1C(C)(C)CC([NH2+]CC2COC2)CC1(C)C ZINC001171613132 974113578 /nfs/dbraw/zinc/11/35/78/974113578.db2.gz GDWKRDHWAOXXQD-UHFFFAOYSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](NOCC[NH3+])CN1Cc1ccccc1 ZINC001171726600 974141168 /nfs/dbraw/zinc/14/11/68/974141168.db2.gz YOELVLBONYBIDD-OCCSQVGLSA-N 1 3 249.358 1.129 20 0 BDADHO CCCN(C)CC(=O)NCCC[NH2+]CC(C)C ZINC001171769958 974153819 /nfs/dbraw/zinc/15/38/19/974153819.db2.gz ITUVULUBDVXCKL-UHFFFAOYSA-N 1 3 243.395 1.080 20 0 BDADHO N[C@@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152799 974229764 /nfs/dbraw/zinc/22/97/64/974229764.db2.gz AWUXWEBDQYYLDZ-QWHCGFSZSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152799 974229777 /nfs/dbraw/zinc/22/97/77/974229777.db2.gz AWUXWEBDQYYLDZ-QWHCGFSZSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152798 974232011 /nfs/dbraw/zinc/23/20/11/974232011.db2.gz AWUXWEBDQYYLDZ-OLZOCXBDSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152798 974232021 /nfs/dbraw/zinc/23/20/21/974232021.db2.gz AWUXWEBDQYYLDZ-OLZOCXBDSA-N 1 3 238.306 1.653 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CSC1)C2 ZINC001172108744 974375551 /nfs/dbraw/zinc/37/55/51/974375551.db2.gz YPOBRSZQCVXGTJ-YHPBZONMSA-N 1 3 226.389 1.707 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1CSC1)C2 ZINC001172108744 974375552 /nfs/dbraw/zinc/37/55/52/974375552.db2.gz YPOBRSZQCVXGTJ-YHPBZONMSA-N 1 3 226.389 1.707 20 0 BDADHO CCOCC[C@H](C)[N@H+](CCCN)C(C)C ZINC001172409559 974670496 /nfs/dbraw/zinc/67/04/96/974670496.db2.gz WVCWEHZZJGXQAH-LBPRGKRZSA-N 1 3 216.369 1.861 20 0 BDADHO CCOCC[C@H](C)[N@@H+](CCCN)C(C)C ZINC001172409559 974670498 /nfs/dbraw/zinc/67/04/98/974670498.db2.gz WVCWEHZZJGXQAH-LBPRGKRZSA-N 1 3 216.369 1.861 20 0 BDADHO CCCC[C@H](COC)NCC[C@@H](C)[NH2+]C ZINC001331821951 974827977 /nfs/dbraw/zinc/82/79/77/974827977.db2.gz OTEADSGUKCKFLN-VXGBXAGGSA-N 1 3 216.369 1.779 20 0 BDADHO CCCOC1CCC([NH2+]C[C@H](C)CN)CC1 ZINC001173093768 975018934 /nfs/dbraw/zinc/01/89/34/975018934.db2.gz AZNBMGRMNYZHJO-PNESKVBLSA-N 1 3 228.380 1.909 20 0 BDADHO CCc1ccc(C[C@@H](C)NC[C@@H](O)C[NH3+])cc1 ZINC001173239251 975164745 /nfs/dbraw/zinc/16/47/45/975164745.db2.gz PCFDDHHBDCUQJZ-RISCZKNCSA-N 1 3 236.359 1.089 20 0 BDADHO Cc1cc(CNCC2CC[NH+](C)CC2)ncn1 ZINC001334199779 976366841 /nfs/dbraw/zinc/36/68/41/976366841.db2.gz ISFKWGVDZVHTEJ-UHFFFAOYSA-N 1 3 234.347 1.216 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC000721409589 976626165 /nfs/dbraw/zinc/62/61/65/976626165.db2.gz IENPGKILGLVKHE-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCO[C@@H](C)C1 ZINC000721409589 976626171 /nfs/dbraw/zinc/62/61/71/976626171.db2.gz IENPGKILGLVKHE-OUAUKWLOSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H](O)[C@H](C)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001335469549 977081204 /nfs/dbraw/zinc/08/12/04/977081204.db2.gz NBWHKZQTIOLUBF-MMWGEVLESA-N 1 3 214.353 1.074 20 0 BDADHO Cc1ncc(Nc2ccc(C[NH3+])cc2)n1C ZINC001175967031 977836009 /nfs/dbraw/zinc/83/60/09/977836009.db2.gz HOYBWQYJGYRZEW-UHFFFAOYSA-N 1 3 216.288 1.931 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc2cnccc2[nH]1 ZINC001232011678 977839510 /nfs/dbraw/zinc/83/95/10/977839510.db2.gz NXYOHYQYWLEUEG-MNOVXSKESA-N 1 3 245.326 1.766 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc2cnccc2[nH]1 ZINC001232011678 977839513 /nfs/dbraw/zinc/83/95/13/977839513.db2.gz NXYOHYQYWLEUEG-MNOVXSKESA-N 1 3 245.326 1.766 20 0 BDADHO C[C@H]([C@H](C)O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001176281685 978009176 /nfs/dbraw/zinc/00/91/76/978009176.db2.gz ONYITLPOOFENAP-XQQFMLRXSA-N 1 3 249.358 1.361 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1cccc(N)n1)CC2 ZINC001233372447 978588131 /nfs/dbraw/zinc/58/81/31/978588131.db2.gz OFWQGKIBNLAPAD-UHFFFAOYSA-N 1 3 246.358 1.191 20 0 BDADHO CN1CC2(C1)CC[NH+](Cc1cccc(N)n1)CC2 ZINC001233372447 978588134 /nfs/dbraw/zinc/58/81/34/978588134.db2.gz OFWQGKIBNLAPAD-UHFFFAOYSA-N 1 3 246.358 1.191 20 0 BDADHO N[C@@H](C(=O)Nc1cccc2c1C[NH2+]C2)C1CCC1 ZINC001340883329 979137657 /nfs/dbraw/zinc/13/76/57/979137657.db2.gz ZIUJXVWAGDEODP-CYBMUJFWSA-N 1 3 245.326 1.356 20 0 BDADHO CC[C@H]([NH2+]C)C(=O)Nc1cccc2c1CNC2 ZINC001340994593 979190069 /nfs/dbraw/zinc/19/00/69/979190069.db2.gz MNZABLNRAQEOGY-NSHDSACASA-N 1 3 233.315 1.226 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](CCc1cccs1)C2 ZINC001235981941 979263666 /nfs/dbraw/zinc/26/36/66/979263666.db2.gz YTHXTMGTBJRFLD-PWSUYJOCSA-N 1 3 222.357 1.714 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](CCc1cccs1)C2 ZINC001235981941 979263677 /nfs/dbraw/zinc/26/36/77/979263677.db2.gz YTHXTMGTBJRFLD-PWSUYJOCSA-N 1 3 222.357 1.714 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996656 979290287 /nfs/dbraw/zinc/29/02/87/979290287.db2.gz YNJVMYRILMWBER-BXUZGUMPSA-N 1 3 242.326 1.486 20 0 BDADHO N[C@@]12CC[C@@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996656 979290296 /nfs/dbraw/zinc/29/02/96/979290296.db2.gz YNJVMYRILMWBER-BXUZGUMPSA-N 1 3 242.326 1.486 20 0 BDADHO CC[C@@H](CCC(=O)OC)CN1CCC[C@@H]1C[NH3+] ZINC001236242964 979463632 /nfs/dbraw/zinc/46/36/32/979463632.db2.gz PXMQRLBWWYORHK-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CCc1cccc(C)c1CN1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206492323 979481709 /nfs/dbraw/zinc/48/17/09/979481709.db2.gz UNJOPHZARMHXOU-DZGCQCFKSA-N 1 3 248.370 1.309 20 0 BDADHO O=C(C[NH2+]CC1CC1)Nc1cccc2c1CNC2 ZINC001341624872 979497439 /nfs/dbraw/zinc/49/74/39/979497439.db2.gz ZAIBHSHHWFVYHN-UHFFFAOYSA-N 1 3 245.326 1.228 20 0 BDADHO C[NH2+]C1(C(=O)Nc2ccc3c(c2)CNC3)CCC1 ZINC001341685102 979523846 /nfs/dbraw/zinc/52/38/46/979523846.db2.gz HDGPRTBOEZUBEI-UHFFFAOYSA-N 1 3 245.326 1.370 20 0 BDADHO NCc1ccc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC001236354498 979549415 /nfs/dbraw/zinc/54/94/15/979549415.db2.gz RFQNNKUORSDLQS-UHFFFAOYSA-N 1 3 239.322 1.853 20 0 BDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC001341778457 979556244 /nfs/dbraw/zinc/55/62/44/979556244.db2.gz SFBFHGONHJHGKB-NEPJUHHUSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@H](N)C[N@H+](C)CC[C@@H](C)SC ZINC001236859750 979768099 /nfs/dbraw/zinc/76/80/99/979768099.db2.gz LWDBDALSAIDPBS-ZJUUUORDSA-N 1 3 204.383 1.797 20 0 BDADHO CC[C@H](N)C[N@@H+](C)CC[C@@H](C)SC ZINC001236859750 979768105 /nfs/dbraw/zinc/76/81/05/979768105.db2.gz LWDBDALSAIDPBS-ZJUUUORDSA-N 1 3 204.383 1.797 20 0 BDADHO C[C@@]1([NH3+])CCCN(Cc2cc[nH]c(=O)c2)CC1 ZINC001205264277 979811004 /nfs/dbraw/zinc/81/10/04/979811004.db2.gz IUIKZSFGSJUBCZ-CYBMUJFWSA-N 1 3 235.331 1.491 20 0 BDADHO C1=C2NCCN(CC[C@@H]3CCCC[NH2+]3)[C@H]2CCC1 ZINC001237220505 979851191 /nfs/dbraw/zinc/85/11/91/979851191.db2.gz RQVJFZFKLINPCZ-ZFWWWQNUSA-N 1 3 249.402 1.860 20 0 BDADHO NCc1ccc(C2=CCC[NH2+]CC2)cn1 ZINC001238941555 980381946 /nfs/dbraw/zinc/38/19/46/980381946.db2.gz OMMAWGPXVMUZEF-UHFFFAOYSA-N 1 3 203.289 1.307 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100336 980547110 /nfs/dbraw/zinc/54/71/10/980547110.db2.gz PHBDTKFJXFRRPL-WJLOJVBCSA-N 1 3 240.391 1.453 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001345100336 980547113 /nfs/dbraw/zinc/54/71/13/980547113.db2.gz PHBDTKFJXFRRPL-WJLOJVBCSA-N 1 3 240.391 1.453 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2cccnn2)CC1 ZINC001205558059 980991133 /nfs/dbraw/zinc/99/11/33/980991133.db2.gz BFRKQIWDEOPEEB-GFCCVEGCSA-N 1 3 238.310 1.130 20 0 BDADHO C[NH2+][C@H](C)CCNC(=O)c1cccc2c1CNC2 ZINC001350399432 981961155 /nfs/dbraw/zinc/96/11/55/981961155.db2.gz UOQPYKSLHMTXER-SNVBAGLBSA-N 1 3 247.342 1.018 20 0 BDADHO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(N)n1 ZINC001354132224 983169195 /nfs/dbraw/zinc/16/91/95/983169195.db2.gz VRMCGAPWQMBMJN-KWQFWETISA-N 1 3 247.346 1.262 20 0 BDADHO Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(N)n1 ZINC001354132224 983169198 /nfs/dbraw/zinc/16/91/98/983169198.db2.gz VRMCGAPWQMBMJN-KWQFWETISA-N 1 3 247.346 1.262 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454410 983719953 /nfs/dbraw/zinc/71/99/53/983719953.db2.gz VJLNWFMMCDDQST-GXFFZTMASA-N 1 3 249.358 1.847 20 0 BDADHO CCN(CC)C[C@H](O)C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001253180992 984014237 /nfs/dbraw/zinc/01/42/37/984014237.db2.gz NHRODVXYKGCABD-STQMWFEESA-N 1 3 246.370 1.371 20 0 BDADHO CCN(CC)C[C@H](O)C[N@H+]1CC[C@@](C)(CF)C1 ZINC001253180992 984014247 /nfs/dbraw/zinc/01/42/47/984014247.db2.gz NHRODVXYKGCABD-STQMWFEESA-N 1 3 246.370 1.371 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CC23CC(O)C3)C1 ZINC001576478503 984168858 /nfs/dbraw/zinc/16/88/58/984168858.db2.gz ACJSERAHPQHLKQ-KTEZZQQRSA-N 1 3 238.375 1.268 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H](C)C[C@@H]2CCC[NH2+]2)C1 ZINC001578160951 984204491 /nfs/dbraw/zinc/20/44/91/984204491.db2.gz FUDWLTYATCNLPZ-CYDGBPFRSA-N 1 3 226.364 1.674 20 0 BDADHO CNC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654390 984218886 /nfs/dbraw/zinc/21/88/86/984218886.db2.gz OJNVNLDFPCWKMB-LSDHHAIUSA-N 1 3 248.370 1.794 20 0 BDADHO CNC[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654390 984218899 /nfs/dbraw/zinc/21/88/99/984218899.db2.gz OJNVNLDFPCWKMB-LSDHHAIUSA-N 1 3 248.370 1.794 20 0 BDADHO COCC[C@H]([NH3+])CNC[C@@H](C)c1ccncc1 ZINC001579002027 984245514 /nfs/dbraw/zinc/24/55/14/984245514.db2.gz NASZETDOYULYHV-YPMHNXCESA-N 1 3 237.347 1.139 20 0 BDADHO OCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000717632202 984338312 /nfs/dbraw/zinc/33/83/12/984338312.db2.gz MOIXMUIAZHAGRQ-FOSCPWQOSA-N 1 3 224.348 1.022 20 0 BDADHO C[NH2+]Cc1cccc(-c2ccc(CN)nc2)c1 ZINC001242997476 984362507 /nfs/dbraw/zinc/36/25/07/984362507.db2.gz DFCBGYRDKXGSSK-UHFFFAOYSA-N 1 3 227.311 1.927 20 0 BDADHO CC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275084771 984476861 /nfs/dbraw/zinc/47/68/61/984476861.db2.gz FJFUPIXLOZIDLJ-OKILXGFUSA-N 1 3 248.374 1.573 20 0 BDADHO CC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275084771 984476873 /nfs/dbraw/zinc/47/68/73/984476873.db2.gz FJFUPIXLOZIDLJ-OKILXGFUSA-N 1 3 248.374 1.573 20 0 BDADHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CC(c2ccccc2)C1 ZINC001580884751 984617927 /nfs/dbraw/zinc/61/79/27/984617927.db2.gz OOXNQAVVDRKCQO-HXSCFSKGSA-N 1 3 246.354 1.103 20 0 BDADHO CCOC(=O)C1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC001577931356 984821450 /nfs/dbraw/zinc/82/14/50/984821450.db2.gz GQBPFVAKQYOEOQ-ANRVXECHSA-N 1 3 240.347 1.188 20 0 BDADHO CCO[C@H](CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578076072 984842080 /nfs/dbraw/zinc/84/20/80/984842080.db2.gz ZPFOKTGHQYAATG-MCIONIFRSA-N 1 3 238.375 1.343 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093077 984844259 /nfs/dbraw/zinc/84/42/59/984844259.db2.gz FIHDSEVWTGLEAT-FDYHWXHSSA-N 1 3 238.375 1.804 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)C12CCCC2 ZINC001578093077 984844263 /nfs/dbraw/zinc/84/42/63/984844263.db2.gz FIHDSEVWTGLEAT-FDYHWXHSSA-N 1 3 238.375 1.804 20 0 BDADHO CCOC1CC(N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001578093861 984849255 /nfs/dbraw/zinc/84/92/55/984849255.db2.gz KDLLPZAJGPQZBD-KIDURHIOSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H](C)CC[NH3+])[C@]12CCCO2 ZINC001578148530 984854329 /nfs/dbraw/zinc/85/43/29/984854329.db2.gz BDWCPJYLUKAYMJ-FDYHWXHSSA-N 1 3 242.363 1.040 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1OC ZINC001578148619 984855464 /nfs/dbraw/zinc/85/54/64/984855464.db2.gz DMQFLCLGLOIWNP-UJPOAAIJSA-N 1 3 242.363 1.038 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)CN)C1 ZINC001578160901 984863436 /nfs/dbraw/zinc/86/34/36/984863436.db2.gz FCRPPAYJOFZTKT-MGCOHNPYSA-N 1 3 200.326 1.128 20 0 BDADHO CO[C@@H]1CCC[N@H+](C[C@H](N)CC(F)F)CC1 ZINC000691984935 985108534 /nfs/dbraw/zinc/10/85/34/985108534.db2.gz HSVOUOHAPFBUJI-NXEZZACHSA-N 1 3 236.306 1.470 20 0 BDADHO CO[C@@H]1CCC[N@@H+](C[C@H](N)CC(F)F)CC1 ZINC000691984935 985108541 /nfs/dbraw/zinc/10/85/41/985108541.db2.gz HSVOUOHAPFBUJI-NXEZZACHSA-N 1 3 236.306 1.470 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622697 985234696 /nfs/dbraw/zinc/23/46/96/985234696.db2.gz YNKPREJXXXLMTD-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC001578622697 985234711 /nfs/dbraw/zinc/23/47/11/985234711.db2.gz YNKPREJXXXLMTD-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H](SC)C1 ZINC001578638364 985250141 /nfs/dbraw/zinc/25/01/41/985250141.db2.gz MLIMXXDHWLJRNX-AXFHLTTASA-N 1 3 216.394 1.858 20 0 BDADHO C[NH2+]CC[C@H]1CCCCN1C[C@@H](O)CSC ZINC001578677186 985285970 /nfs/dbraw/zinc/28/59/70/985285970.db2.gz YNGPPRDAFJNLIQ-VXGBXAGGSA-N 1 3 246.420 1.174 20 0 BDADHO C[NH2+]CCCN1C[C@H]2CSC[C@@]2(C)C1 ZINC001578686946 985300191 /nfs/dbraw/zinc/30/01/91/985300191.db2.gz FMFGDKHSTVNTLD-WDEREUQCSA-N 1 3 214.378 1.281 20 0 BDADHO CO[C@](C)(CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578897669 985476683 /nfs/dbraw/zinc/47/66/83/985476683.db2.gz NAPKODSKLMGCHT-HZSPNIEDSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1COC[C@H]1[NH2+]CCCN1CCCC[C@H]1C ZINC000688022586 985489618 /nfs/dbraw/zinc/48/96/18/985489618.db2.gz FIUQOVGXWBNFOW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@H]1NCCC[N@@H+]1CCCC[C@H]1C ZINC000688022586 985489630 /nfs/dbraw/zinc/48/96/30/985489630.db2.gz FIUQOVGXWBNFOW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@H]1NCCC[N@H+]1CCCC[C@H]1C ZINC000688022586 985489638 /nfs/dbraw/zinc/48/96/38/985489638.db2.gz FIUQOVGXWBNFOW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H](C)CNCc1ccc(C[NH3+])cc1F ZINC001578903193 985497534 /nfs/dbraw/zinc/49/75/34/985497534.db2.gz SXTSUGLBLVLYDV-VIFPVBQESA-N 1 3 226.295 1.409 20 0 BDADHO C[C@H](C[NH2+][C@H]1COC[C@@H]1C)CN1CCCCC1 ZINC000688025471 985501820 /nfs/dbraw/zinc/50/18/20/985501820.db2.gz PEXXDAQWIIMOQW-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](CN[C@H]1COC[C@@H]1C)C[NH+]1CCCCC1 ZINC000688025471 985501849 /nfs/dbraw/zinc/50/18/49/985501849.db2.gz PEXXDAQWIIMOQW-RDBSUJKOSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[NH2+][C@H]1COC[C@H]1C)CN1CCCCC1 ZINC000688025466 985504514 /nfs/dbraw/zinc/50/45/14/985504514.db2.gz PEXXDAQWIIMOQW-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](CN[C@H]1COC[C@H]1C)C[NH+]1CCCCC1 ZINC000688025466 985504539 /nfs/dbraw/zinc/50/45/39/985504539.db2.gz PEXXDAQWIIMOQW-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CN1CC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC001578908633 985508474 /nfs/dbraw/zinc/50/84/74/985508474.db2.gz BTZUPFODQLBBJK-JHJVBQTASA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000688053118 985541161 /nfs/dbraw/zinc/54/11/61/985541161.db2.gz MKVUHGXBWCVSCV-MROQNXINSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000688053118 985541179 /nfs/dbraw/zinc/54/11/79/985541179.db2.gz MKVUHGXBWCVSCV-MROQNXINSA-N 1 3 224.348 1.238 20 0 BDADHO COC[C@@H](C[NH2+]C[C@@H](N)CCC(C)(C)C)OC ZINC001578961312 985584433 /nfs/dbraw/zinc/58/44/33/985584433.db2.gz HHSHXVFBAUPLTA-NWDGAFQWSA-N 1 3 246.395 1.391 20 0 BDADHO C[C@@H]1C[N@H+](CC23CC(C)(C2)OC3)C[C@H]1CN ZINC001579439929 985931387 /nfs/dbraw/zinc/93/13/87/985931387.db2.gz CWOAHLJIAGEODA-OKZRHMCRSA-N 1 3 224.348 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC23CC(C)(C2)OC3)C[C@H]1CN ZINC001579439929 985931403 /nfs/dbraw/zinc/93/14/03/985931403.db2.gz CWOAHLJIAGEODA-OKZRHMCRSA-N 1 3 224.348 1.082 20 0 BDADHO C[N@H+](CCCCN[C@H]1CCn2ccnc21)C1CC1 ZINC001462312043 986346524 /nfs/dbraw/zinc/34/65/24/986346524.db2.gz VYSNFLJAFHUIFU-ZDUSSCGKSA-N 1 3 248.374 1.792 20 0 BDADHO C[N@@H+](CCCCN[C@H]1CCn2ccnc21)C1CC1 ZINC001462312043 986346536 /nfs/dbraw/zinc/34/65/36/986346536.db2.gz VYSNFLJAFHUIFU-ZDUSSCGKSA-N 1 3 248.374 1.792 20 0 BDADHO Cn1ccnc1CNCC[C@H]1CCC[NH2+]CC1 ZINC001579981417 986378152 /nfs/dbraw/zinc/37/81/52/986378152.db2.gz GLJNHGOWDFNCLJ-LBPRGKRZSA-N 1 3 236.363 1.290 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001462662605 986473558 /nfs/dbraw/zinc/47/35/58/986473558.db2.gz CXPNCRDIXHMUSA-ZOLYEBIHSA-N 1 3 226.364 1.340 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@@H](F)C2)CC1 ZINC001254515859 986667527 /nfs/dbraw/zinc/66/75/27/986667527.db2.gz FJRFOTXMKSEJHV-MNOVXSKESA-N 1 3 200.301 1.515 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@@H](F)C2)CC1 ZINC001254515859 986667531 /nfs/dbraw/zinc/66/75/31/986667531.db2.gz FJRFOTXMKSEJHV-MNOVXSKESA-N 1 3 200.301 1.515 20 0 BDADHO NCC1(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)CCC1 ZINC001580244506 986693343 /nfs/dbraw/zinc/69/33/43/986693343.db2.gz ZKCWHDZGEKRAED-AWEZNQCLSA-N 1 3 238.375 1.352 20 0 BDADHO NCC1(C[N@H+]2CCC[C@@](O)(C3CC3)C2)CCC1 ZINC001580244506 986693354 /nfs/dbraw/zinc/69/33/54/986693354.db2.gz ZKCWHDZGEKRAED-AWEZNQCLSA-N 1 3 238.375 1.352 20 0 BDADHO NC[C@@]12C[N@H+](CCn3ccnc3)C[C@@H]1CCCC2 ZINC001580256452 986706776 /nfs/dbraw/zinc/70/67/76/986706776.db2.gz ULPQVVXOOSYMTQ-KBPBESRZSA-N 1 3 248.374 1.334 20 0 BDADHO NC[C@@]12C[N@@H+](CCn3ccnc3)C[C@@H]1CCCC2 ZINC001580256452 986706782 /nfs/dbraw/zinc/70/67/82/986706782.db2.gz ULPQVVXOOSYMTQ-KBPBESRZSA-N 1 3 248.374 1.334 20 0 BDADHO NC[C@]12C[N@H+](CCn3ccnc3)C[C@H]1CCCC2 ZINC001580256455 986708508 /nfs/dbraw/zinc/70/85/08/986708508.db2.gz ULPQVVXOOSYMTQ-ZIAGYGMSSA-N 1 3 248.374 1.334 20 0 BDADHO NC[C@]12C[N@@H+](CCn3ccnc3)C[C@H]1CCCC2 ZINC001580256455 986708514 /nfs/dbraw/zinc/70/85/14/986708514.db2.gz ULPQVVXOOSYMTQ-ZIAGYGMSSA-N 1 3 248.374 1.334 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580423456 986840719 /nfs/dbraw/zinc/84/07/19/986840719.db2.gz ZPOXHQZKSCVOSD-OFTGVCEQSA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580423456 986840720 /nfs/dbraw/zinc/84/07/20/986840720.db2.gz ZPOXHQZKSCVOSD-OFTGVCEQSA-N 1 3 236.359 1.413 20 0 BDADHO CCCC[N@H+](C)CCCN[C@@H]1CCN(C)C1 ZINC001255412122 986935701 /nfs/dbraw/zinc/93/57/01/986935701.db2.gz PPDQJVFXKZLSDZ-CYBMUJFWSA-N 1 3 227.396 1.402 20 0 BDADHO CCCC[N@@H+](C)CCCN[C@@H]1CCN(C)C1 ZINC001255412122 986935713 /nfs/dbraw/zinc/93/57/13/986935713.db2.gz PPDQJVFXKZLSDZ-CYBMUJFWSA-N 1 3 227.396 1.402 20 0 BDADHO Nc1nc2cc(-c3ccncc3C[NH3+])ccc2[nH]1 ZINC001245557364 986946874 /nfs/dbraw/zinc/94/68/74/986946874.db2.gz GTRQZYNMJBWPRY-UHFFFAOYSA-N 1 3 239.282 1.666 20 0 BDADHO Nc1nc2ccc(-c3ccncc3C[NH3+])cc2[nH]1 ZINC001245557364 986946881 /nfs/dbraw/zinc/94/68/81/986946881.db2.gz GTRQZYNMJBWPRY-UHFFFAOYSA-N 1 3 239.282 1.666 20 0 BDADHO C[C@@H](Cc1ccccn1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001256394938 987209191 /nfs/dbraw/zinc/20/91/91/987209191.db2.gz ALBXDCPCBDYGIJ-SGMGOOAPSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@](O)(CNC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983762 987266356 /nfs/dbraw/zinc/26/63/56/987266356.db2.gz URFGOWUSPVGIFF-HIFRSBDPSA-N 1 3 248.370 1.483 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246020198 987307170 /nfs/dbraw/zinc/30/71/70/987307170.db2.gz IJJYACPZOZEWAZ-CHWSQXEVSA-N 1 3 228.380 1.598 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246020198 987307177 /nfs/dbraw/zinc/30/71/77/987307177.db2.gz IJJYACPZOZEWAZ-CHWSQXEVSA-N 1 3 228.380 1.598 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1CCCOCC1)N(C)C ZINC000697888945 987366601 /nfs/dbraw/zinc/36/66/01/987366601.db2.gz JWDHPVPZROAJSC-NWDGAFQWSA-N 1 3 214.353 1.485 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCNCC1)C2 ZINC001246077017 987369515 /nfs/dbraw/zinc/36/95/15/987369515.db2.gz FYXFYXBPFWVOOR-CQSZACIVSA-N 1 3 246.354 1.504 20 0 BDADHO COc1ccc2c(c1)C[C@H](NC1CC[NH2+]CC1)C2 ZINC001246077017 987369520 /nfs/dbraw/zinc/36/95/20/987369520.db2.gz FYXFYXBPFWVOOR-CQSZACIVSA-N 1 3 246.354 1.504 20 0 BDADHO C[C@@H](Cc1ccncc1)[NH2+]C1CCNCC1 ZINC001246078997 987370953 /nfs/dbraw/zinc/37/09/53/987370953.db2.gz NTGINAFSTGELKG-NSHDSACASA-N 1 3 219.332 1.354 20 0 BDADHO C[C@@H](Cc1ccncc1)NC1CC[NH2+]CC1 ZINC001246078997 987370957 /nfs/dbraw/zinc/37/09/57/987370957.db2.gz NTGINAFSTGELKG-NSHDSACASA-N 1 3 219.332 1.354 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]C2CCNCC2)CCO1 ZINC001246080571 987378577 /nfs/dbraw/zinc/37/85/77/987378577.db2.gz RKCFQYWMGGUFPH-VXGBXAGGSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](N)c1nccn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246083621 987381904 /nfs/dbraw/zinc/38/19/04/987381904.db2.gz VDUWXTVZAYIQOB-GKDVJIACSA-N 1 3 220.320 1.358 20 0 BDADHO CC(C)[C@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)CC[NH2+]1 ZINC001246093336 987400828 /nfs/dbraw/zinc/40/08/28/987400828.db2.gz UMFXWCDTTGFRFJ-MROQNXINSA-N 1 3 243.370 1.053 20 0 BDADHO CC(C)OCC[C@@H](C)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246096408 987407255 /nfs/dbraw/zinc/40/72/55/987407255.db2.gz MMWLLGQUMFNLOS-GRYCIOLGSA-N 1 3 232.343 1.480 20 0 BDADHO CC(C)COCC[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246096826 987408034 /nfs/dbraw/zinc/40/80/34/987408034.db2.gz MWGLYBDRFOKHJZ-YNEHKIRRSA-N 1 3 246.370 1.727 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]3C[C@H]3C2)[NH2+]C1 ZINC001246105653 987432478 /nfs/dbraw/zinc/43/24/78/987432478.db2.gz NFZHABCQCFUHIY-UJPOAAIJSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@H]1C ZINC001246132019 987484764 /nfs/dbraw/zinc/48/47/64/987484764.db2.gz CGOPSMMAUQDLIE-FAYOZSNISA-N 1 3 238.375 1.388 20 0 BDADHO CCC1CCC(N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246137915 987497114 /nfs/dbraw/zinc/49/71/14/987497114.db2.gz KBLYHAKZTANLMG-YTPFDHIKSA-N 1 3 238.375 1.532 20 0 BDADHO CNc1ccc(C[NH2+][C@@H]2CCCNC2)cc1 ZINC001246169270 987534558 /nfs/dbraw/zinc/53/45/58/987534558.db2.gz CMRIPEROKKENGB-CYBMUJFWSA-N 1 3 219.332 1.570 20 0 BDADHO NCc1c(F)cccc1N[C@H]1CCC[NH2+]C1 ZINC001246173172 987537310 /nfs/dbraw/zinc/53/73/10/987537310.db2.gz SKYBEQDFMXIEIF-VIFPVBQESA-N 1 3 223.295 1.448 20 0 BDADHO CN(C)c1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC001246172744 987539019 /nfs/dbraw/zinc/53/90/19/987539019.db2.gz CMEAGRXTRIHTMY-UHFFFAOYSA-N 1 3 247.386 1.637 20 0 BDADHO COC(=O)CCCCC[NH2+]C1CCNCC1 ZINC001246198122 987590364 /nfs/dbraw/zinc/59/03/64/987590364.db2.gz CTUXALWEYGGXGX-UHFFFAOYSA-N 1 3 228.336 1.061 20 0 BDADHO COC(=O)CC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204255 987598694 /nfs/dbraw/zinc/59/86/94/987598694.db2.gz HLJFMKDOERWAOC-HBNTYKKESA-N 1 3 228.336 1.188 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](F)C2)CCN1 ZINC001246214539 987611167 /nfs/dbraw/zinc/61/11/67/987611167.db2.gz IYRNZLDJNGYRBY-DBIOUOCHSA-N 1 3 200.301 1.465 20 0 BDADHO O=C1C[C@H]2CC([NH2+]C[C@H]3CCCNC3)C[C@@H]2C1 ZINC001246216551 987613675 /nfs/dbraw/zinc/61/36/75/987613675.db2.gz NCNNBMCEFZVGBI-QJPTWQEYSA-N 1 3 236.359 1.333 20 0 BDADHO CCOC(CC[NH2+][C@@H]1CCN[C@@H](C)C1)OCC ZINC001246234896 987631233 /nfs/dbraw/zinc/63/12/33/987631233.db2.gz WKPVPCANQPUYTO-NWDGAFQWSA-N 1 3 244.379 1.506 20 0 BDADHO C[C@@H](N)c1ccn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246249069 987648454 /nfs/dbraw/zinc/64/84/54/987648454.db2.gz NRECFEJUIUQJGC-NFLHVTIKSA-N 1 3 220.320 1.358 20 0 BDADHO COc1cncc(CCN[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246251336 987650064 /nfs/dbraw/zinc/65/00/64/987650064.db2.gz YVKVXVLFUNZEME-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO COc1cncc(CC[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC001246251336 987650070 /nfs/dbraw/zinc/65/00/70/987650070.db2.gz YVKVXVLFUNZEME-DGCLKSJQSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCC(C)(C)O)CCN1 ZINC001246299088 987692777 /nfs/dbraw/zinc/69/27/77/987692777.db2.gz FCBQAJQZLDWGSW-WDEREUQCSA-N 1 3 214.353 1.268 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H](C)Cc1ccncc1 ZINC001246312135 987715527 /nfs/dbraw/zinc/71/55/27/987715527.db2.gz GCQYYGVXCWHUAM-JQWIXIFHSA-N 1 3 207.321 1.340 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2CCC(CCO)CC2)CCN1 ZINC001246331402 987740041 /nfs/dbraw/zinc/74/00/41/987740041.db2.gz BGIZMALTCRKZCU-GFJIZPEISA-N 1 3 240.391 1.658 20 0 BDADHO CCOC(=O)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246357076 987763057 /nfs/dbraw/zinc/76/30/57/987763057.db2.gz VOFZNYSADJTJOJ-YIBTVLSRSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)CCCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246357964 987766842 /nfs/dbraw/zinc/76/68/42/987766842.db2.gz WUEHGQVVAJSHJW-MNOVXSKESA-N 1 3 228.336 1.060 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CCN1 ZINC001246391289 987781369 /nfs/dbraw/zinc/78/13/69/987781369.db2.gz SAMQUXQPLPPWJO-NXEZZACHSA-N 1 3 214.353 1.266 20 0 BDADHO CC(C)(Cc1ccccn1)[NH2+]C1CCNCC1 ZINC001246438758 987799389 /nfs/dbraw/zinc/79/93/89/987799389.db2.gz ZUOLYDBLBSYOKB-UHFFFAOYSA-N 1 3 233.359 1.744 20 0 BDADHO CC(C)(Cc1ccccn1)NC1CC[NH2+]CC1 ZINC001246438758 987799395 /nfs/dbraw/zinc/79/93/95/987799395.db2.gz ZUOLYDBLBSYOKB-UHFFFAOYSA-N 1 3 233.359 1.744 20 0 BDADHO COC(=O)CCCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446788 987807243 /nfs/dbraw/zinc/80/72/43/987807243.db2.gz UCFOXRBAJSGMLY-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)CCCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446788 987807246 /nfs/dbraw/zinc/80/72/46/987807246.db2.gz UCFOXRBAJSGMLY-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001474756805 987819439 /nfs/dbraw/zinc/81/94/39/987819439.db2.gz MCLGHCQIIOLCCO-YIYPIFLZSA-N 1 3 248.374 1.201 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001474759640 987820064 /nfs/dbraw/zinc/82/00/64/987820064.db2.gz RYCIKIKYRNLBCB-RFQIPJPRSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@H]1CC(N2C[C@@H](F)[C@@H](N)C2)C[C@H](CC)[NH2+]1 ZINC001246527244 987881254 /nfs/dbraw/zinc/88/12/54/987881254.db2.gz SYSWMJVBUCOKQH-DJIHRAIXSA-N 1 3 243.370 1.277 20 0 BDADHO CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246532565 987890794 /nfs/dbraw/zinc/89/07/94/987890794.db2.gz WXGCMHZESMLCNS-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)COCC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246532565 987890799 /nfs/dbraw/zinc/89/07/99/987890799.db2.gz WXGCMHZESMLCNS-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)(C)[C@H]1C[C@@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246532836 987891918 /nfs/dbraw/zinc/89/19/18/987891918.db2.gz KQFJLYIMQIDVML-FIQHERPVSA-N 1 3 243.370 1.134 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CCC[C@@H](N)CC1 ZINC001246541581 987912543 /nfs/dbraw/zinc/91/25/43/987912543.db2.gz MFGXFHMFEOQJJX-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CCC[C@@H](N)CC1 ZINC001246541581 987912551 /nfs/dbraw/zinc/91/25/51/987912551.db2.gz MFGXFHMFEOQJJX-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO COC(=O)CC[C@@H](C)N1CCC[C@H]([NH3+])CC1 ZINC001246544926 987917081 /nfs/dbraw/zinc/91/70/81/987917081.db2.gz IGSXLCNXVBQSCO-MNOVXSKESA-N 1 3 228.336 1.141 20 0 BDADHO COC(=O)CC[C@H](C)N1CCC[C@@H]([NH3+])CC1 ZINC001246544930 987923324 /nfs/dbraw/zinc/92/33/24/987923324.db2.gz IGSXLCNXVBQSCO-WDEREUQCSA-N 1 3 228.336 1.141 20 0 BDADHO CCCCC[C@@H](CC)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557770 987977957 /nfs/dbraw/zinc/97/79/57/987977957.db2.gz HJXHXFVAAJOTLC-JHJVBQTASA-N 1 3 228.380 1.739 20 0 BDADHO CCCCC[C@@H](CC)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557770 987977971 /nfs/dbraw/zinc/97/79/71/987977971.db2.gz HJXHXFVAAJOTLC-JHJVBQTASA-N 1 3 228.380 1.739 20 0 BDADHO C[C@@H]1CN(C2CCC3(COC3)CC2)C[C@H]1[NH3+] ZINC001246560473 987985653 /nfs/dbraw/zinc/98/56/53/987985653.db2.gz HFABBQIKKHTSCX-ZYHUDNBSSA-N 1 3 224.348 1.225 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@@H+]1C[C@@H](C)[C@H](N)C1)C2 ZINC001246567106 988023862 /nfs/dbraw/zinc/02/38/62/988023862.db2.gz KTDMBRWMHOQNED-WDBKCZKBSA-N 1 3 246.354 1.441 20 0 BDADHO COc1ccc2c(c1)C[C@H]([N@H+]1C[C@@H](C)[C@H](N)C1)C2 ZINC001246567106 988023875 /nfs/dbraw/zinc/02/38/75/988023875.db2.gz KTDMBRWMHOQNED-WDBKCZKBSA-N 1 3 246.354 1.441 20 0 BDADHO CCO[C@@H]1C[C@H](NCC[C@H](C)[NH2+]C)C1(C)C ZINC001118122050 988025558 /nfs/dbraw/zinc/02/55/58/988025558.db2.gz NGOZMBUCKLFCHM-SDDRHHMPSA-N 1 3 228.380 1.778 20 0 BDADHO C[C@@]1(CF)CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246572116 988059775 /nfs/dbraw/zinc/05/97/75/988059775.db2.gz DJPNYJFOMQDECP-HNGCFSAESA-N 1 3 226.339 1.951 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246583835 988120947 /nfs/dbraw/zinc/12/09/47/988120947.db2.gz LBKOUFCQXWAAIJ-BNDIWNMDSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246583835 988120953 /nfs/dbraw/zinc/12/09/53/988120953.db2.gz LBKOUFCQXWAAIJ-BNDIWNMDSA-N 1 3 226.364 1.063 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246585649 988136001 /nfs/dbraw/zinc/13/60/01/988136001.db2.gz PNNPOVRMZBZDOJ-KBPBESRZSA-N 1 3 239.407 1.532 20 0 BDADHO CN1CCC[C@H]([N@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246585649 988136014 /nfs/dbraw/zinc/13/60/14/988136014.db2.gz PNNPOVRMZBZDOJ-KBPBESRZSA-N 1 3 239.407 1.532 20 0 BDADHO NC[C@H]1C[N@@H+](C2CCCCCCC2)C[C@H]1O ZINC001246585970 988139518 /nfs/dbraw/zinc/13/95/18/988139518.db2.gz PBKUTQJYHPYWNW-WCQYABFASA-N 1 3 226.364 1.351 20 0 BDADHO NC[C@H]1C[N@H+](C2CCCCCCC2)C[C@H]1O ZINC001246585970 988139526 /nfs/dbraw/zinc/13/95/26/988139526.db2.gz PBKUTQJYHPYWNW-WCQYABFASA-N 1 3 226.364 1.351 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246591681 988180542 /nfs/dbraw/zinc/18/05/42/988180542.db2.gz NNZMVYXBJYZYJS-AAVRWANBSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246591681 988180553 /nfs/dbraw/zinc/18/05/53/988180553.db2.gz NNZMVYXBJYZYJS-AAVRWANBSA-N 1 3 240.391 1.610 20 0 BDADHO CCC[NH2+]CCCN(C)C(=O)[C@@H](CC)N(C)C ZINC001322566856 988331196 /nfs/dbraw/zinc/33/11/96/988331196.db2.gz REIKCPXGZRPOQC-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679280 988425548 /nfs/dbraw/zinc/42/55/48/988425548.db2.gz TUGMSVWKWBOUSN-NNYUYHANSA-N 1 3 222.332 1.323 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679280 988425562 /nfs/dbraw/zinc/42/55/62/988425562.db2.gz TUGMSVWKWBOUSN-NNYUYHANSA-N 1 3 222.332 1.323 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768669 988456098 /nfs/dbraw/zinc/45/60/98/988456098.db2.gz GASNYFMBGSQHJV-UHFZAUJKSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)CCN1 ZINC001246768669 988456104 /nfs/dbraw/zinc/45/61/04/988456104.db2.gz GASNYFMBGSQHJV-UHFZAUJKSA-N 1 3 212.312 1.559 20 0 BDADHO COC(C)(C)[C@@H]1CCC[N@@H+]1C1CCNCC1 ZINC001246809274 988492492 /nfs/dbraw/zinc/49/24/92/988492492.db2.gz GOJVKGRLWMSUGW-LBPRGKRZSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)[C@@H]1CCC[N@H+]1C1CCNCC1 ZINC001246809274 988492497 /nfs/dbraw/zinc/49/24/97/988492497.db2.gz GOJVKGRLWMSUGW-LBPRGKRZSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@@H](N2CCN[C@@H](c3ccccc3)C2)C[NH2+]1 ZINC001246828943 988522006 /nfs/dbraw/zinc/52/20/06/988522006.db2.gz TXGSZYRBVREYNM-BPLDGKMQSA-N 1 3 245.370 1.383 20 0 BDADHO CCOCC1CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC001246844026 988552387 /nfs/dbraw/zinc/55/23/87/988552387.db2.gz FRMOVPZUIRVDIU-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CCOCC1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246844026 988552397 /nfs/dbraw/zinc/55/23/97/988552397.db2.gz FRMOVPZUIRVDIU-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CCN[C@H](C)C3)C[C@H]12 ZINC001246854544 988571017 /nfs/dbraw/zinc/57/10/17/988571017.db2.gz PZZRAWNOMBXRMQ-UJPOAAIJSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CCN[C@H](C)C3)C[C@H]12 ZINC001246854544 988571023 /nfs/dbraw/zinc/57/10/23/988571023.db2.gz PZZRAWNOMBXRMQ-UJPOAAIJSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C)NC3)C[C@H]12 ZINC001246854999 988583281 /nfs/dbraw/zinc/58/32/81/988583281.db2.gz RTVZPGGHZKPWJG-NZEXEKPDSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C)NC3)C[C@H]12 ZINC001246854999 988583273 /nfs/dbraw/zinc/58/32/73/988583273.db2.gz RTVZPGGHZKPWJG-NZEXEKPDSA-N 1 3 224.348 1.094 20 0 BDADHO Cc1nc2c(n1[C@H]1CC[NH2+][C@H](C)C1)CNCC2 ZINC001246860357 988599808 /nfs/dbraw/zinc/59/98/08/988599808.db2.gz HSMAHKHNQCCAQS-KOLCDFICSA-N 1 3 234.347 1.150 20 0 BDADHO Cc1nc2c(n1[C@H]1CC[NH2+][C@@H](C)C1)CNCC2 ZINC001246860368 988600406 /nfs/dbraw/zinc/60/04/06/988600406.db2.gz HSMAHKHNQCCAQS-ONGXEEELSA-N 1 3 234.347 1.150 20 0 BDADHO CN[C@@H]1CCN1[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246895850 988670330 /nfs/dbraw/zinc/67/03/30/988670330.db2.gz FXIBHASZYQUISD-ILXRZTDVSA-N 1 3 245.370 1.731 20 0 BDADHO C[N@H+](CCO)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246911662 988701076 /nfs/dbraw/zinc/70/10/76/988701076.db2.gz IHPICQCMAQKWRM-CABCVRRESA-N 1 3 248.370 1.274 20 0 BDADHO C[N@@H+](CCO)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246911662 988701084 /nfs/dbraw/zinc/70/10/84/988701084.db2.gz IHPICQCMAQKWRM-CABCVRRESA-N 1 3 248.370 1.274 20 0 BDADHO COC(=O)C1CCC(N2CCC[C@@H]2C[NH3+])CC1 ZINC001246917431 988711696 /nfs/dbraw/zinc/71/16/96/988711696.db2.gz QUBCWEVBSOLOOO-HTAVTVPLSA-N 1 3 240.347 1.141 20 0 BDADHO CC[C@H](N)C[N@H+](C)[C@H](C)CC(=O)N(CC)CC ZINC001246974791 988807212 /nfs/dbraw/zinc/80/72/12/988807212.db2.gz RAGNYKCNBWGKEG-NEPJUHHUSA-N 1 3 243.395 1.303 20 0 BDADHO CC[C@H](N)C[N@@H+](C)[C@H](C)CC(=O)N(CC)CC ZINC001246974791 988807219 /nfs/dbraw/zinc/80/72/19/988807219.db2.gz RAGNYKCNBWGKEG-NEPJUHHUSA-N 1 3 243.395 1.303 20 0 BDADHO CC(C)(C)[C@@H]1C[C@@H](N2CCNC2)CC[NH2+]1 ZINC001246989841 988821410 /nfs/dbraw/zinc/82/14/10/988821410.db2.gz IPJFTULWRYYVIC-QWRGUYRKSA-N 1 3 211.353 1.016 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001247000384 988834159 /nfs/dbraw/zinc/83/41/59/988834159.db2.gz ICXCBLVSZAKXHT-WZRBSPASSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC001247000384 988834161 /nfs/dbraw/zinc/83/41/61/988834161.db2.gz ICXCBLVSZAKXHT-WZRBSPASSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@@]1(C)CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001247000384 988834163 /nfs/dbraw/zinc/83/41/63/988834163.db2.gz ICXCBLVSZAKXHT-WZRBSPASSA-N 1 3 240.347 1.012 20 0 BDADHO Cc1c2[nH]c(CCC[NH3+])nc2ccc1F ZINC001247012107 988840624 /nfs/dbraw/zinc/84/06/24/988840624.db2.gz ZRDWJVQEYJBNIK-UHFFFAOYSA-N 1 3 207.252 1.902 20 0 BDADHO c1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC001515180554 989001329 /nfs/dbraw/zinc/00/13/29/989001329.db2.gz FBFSYNYASCNKNX-ZDUSSCGKSA-N 1 3 217.316 1.756 20 0 BDADHO [NH3+]C[C@@H](NCCc1ccc(F)cc1F)C1CC1 ZINC001326073909 989363358 /nfs/dbraw/zinc/36/33/58/989363358.db2.gz BAQYHURBQCPBQE-CYBMUJFWSA-N 1 3 240.297 1.834 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001121985970 990167098 /nfs/dbraw/zinc/16/70/98/990167098.db2.gz FEFOFXYIDJMSSF-GARJFASQSA-N 1 3 243.395 1.240 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001122321126 990339350 /nfs/dbraw/zinc/33/93/50/990339350.db2.gz OIVYEAGJOWYVDR-NSHDSACASA-N 1 3 235.331 1.556 20 0 BDADHO C[C@H](Cc1ccco1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001258194270 991106712 /nfs/dbraw/zinc/10/67/12/991106712.db2.gz DFYYZSNQLKURFV-UPJWGTAASA-N 1 3 234.343 1.704 20 0 BDADHO C[C@H](Cc1ccco1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001258194270 991106716 /nfs/dbraw/zinc/10/67/16/991106716.db2.gz DFYYZSNQLKURFV-UPJWGTAASA-N 1 3 234.343 1.704 20 0 BDADHO COC(=O)CC[C@@H](C)[N@H+](CCCN)C(C)C ZINC001258348212 991257314 /nfs/dbraw/zinc/25/73/14/991257314.db2.gz JUWRSLUAKDEBKP-LLVKDONJSA-N 1 3 230.352 1.387 20 0 BDADHO COC(=O)CC[C@@H](C)[N@@H+](CCCN)C(C)C ZINC001258348212 991257324 /nfs/dbraw/zinc/25/73/24/991257324.db2.gz JUWRSLUAKDEBKP-LLVKDONJSA-N 1 3 230.352 1.387 20 0 BDADHO COC(=O)CC[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001258357451 991298846 /nfs/dbraw/zinc/29/88/46/991298846.db2.gz HLJFMKDOERWAOC-VWYCJHECSA-N 1 3 228.336 1.188 20 0 BDADHO CCC1(CN2CCC([NH+]3CCC3)CC2)COC1 ZINC001202969515 991355717 /nfs/dbraw/zinc/35/57/17/991355717.db2.gz XXQLOIBKFJMGAZ-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CCC[NH+]1CCC(N2CCC(C)(O)CC2)CC1 ZINC001258771809 991736864 /nfs/dbraw/zinc/73/68/64/991736864.db2.gz VYRQLNVBBVUQMP-UHFFFAOYSA-N 1 3 240.391 1.708 20 0 BDADHO CCOC1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001474756855 992514104 /nfs/dbraw/zinc/51/41/04/992514104.db2.gz MYCSBRKICAPAEC-FDZXDKCCSA-N 1 3 238.375 1.484 20 0 BDADHO CC(C)(C)O[C@@H]1C[C@H](NCC[NH3+])C1(C)C ZINC001573469116 992616502 /nfs/dbraw/zinc/61/65/02/992616502.db2.gz JIRCBKSPGATXLV-VHSXEESVSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@@H]([NH2+][C@@H]1CCNC1)[C@@H](CO)C(C)C ZINC001573490782 992619870 /nfs/dbraw/zinc/61/98/70/992619870.db2.gz DJIOJBOVCOAOOI-FRRDWIJNSA-N 1 3 228.380 1.227 20 0 BDADHO CC(C)(O)C[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001575379803 993032797 /nfs/dbraw/zinc/03/27/97/993032797.db2.gz LRVJKGXWJAZUMB-WCQYABFASA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)(O)C[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001575379803 993032804 /nfs/dbraw/zinc/03/28/04/993032804.db2.gz LRVJKGXWJAZUMB-WCQYABFASA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)[C@@H](CN)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC001575423326 993039629 /nfs/dbraw/zinc/03/96/29/993039629.db2.gz SASUGIDHIIUFRN-NWDGAFQWSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@@H](CN)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC001575423326 993039639 /nfs/dbraw/zinc/03/96/39/993039639.db2.gz SASUGIDHIIUFRN-NWDGAFQWSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@@H](C[NH3+])CN1C[C@H](O)CC(C)(C)C1 ZINC001575423326 993039643 /nfs/dbraw/zinc/03/96/43/993039643.db2.gz SASUGIDHIIUFRN-NWDGAFQWSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC001575422293 993039665 /nfs/dbraw/zinc/03/96/65/993039665.db2.gz HZUVDBVIQLDDKB-NWDGAFQWSA-N 1 3 242.363 1.103 20 0 BDADHO CC(C)[C@@H](CO)[C@H]([NH2+]C1CC(N)C1)C(C)C ZINC001575431620 993039968 /nfs/dbraw/zinc/03/99/68/993039968.db2.gz DGIZWPOESDXKJE-FIYWTHMPSA-N 1 3 228.380 1.355 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@H]1CCC2(C1)OCCO2 ZINC001575422292 993041750 /nfs/dbraw/zinc/04/17/50/993041750.db2.gz HZUVDBVIQLDDKB-NEPJUHHUSA-N 1 3 242.363 1.103 20 0 BDADHO C[C@@H](CN1CCCCC1)NCC12CC(C1)C[NH2+]2 ZINC001576008550 993156993 /nfs/dbraw/zinc/15/69/93/993156993.db2.gz QZTKAWNYRWBLHP-HSBZDZAISA-N 1 3 237.391 1.202 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)N[C@H]1C[C@H]([NH3+])C1 ZINC001576053228 993167394 /nfs/dbraw/zinc/16/73/94/993167394.db2.gz UQIWTDLHYJBBOB-YUSALJHKSA-N 1 3 220.316 1.403 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1C[C@H](N)C1 ZINC001576053228 993167397 /nfs/dbraw/zinc/16/73/97/993167397.db2.gz UQIWTDLHYJBBOB-YUSALJHKSA-N 1 3 220.316 1.403 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001576104777 993182689 /nfs/dbraw/zinc/18/26/89/993182689.db2.gz IXBGVQBRPBYOOH-MFQSTILNSA-N 1 3 242.363 1.432 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2cc[nH]c(=O)c2)C1 ZINC001576116916 993187601 /nfs/dbraw/zinc/18/76/01/993187601.db2.gz BSJUKTMSXBVANK-PWSUYJOCSA-N 1 3 235.331 1.346 20 0 BDADHO N[C@@H](CC(F)F)C(=O)Nc1ccccc1C[NH3+] ZINC001263266331 993198808 /nfs/dbraw/zinc/19/88/08/993198808.db2.gz LTQRFRVRTQQZIH-QMMMGPOBSA-N 1 3 243.257 1.066 20 0 BDADHO C[C@H](NC(C)(C)C[NH3+])[C@H]1CCCCO1 ZINC001576234350 993223066 /nfs/dbraw/zinc/22/30/66/993223066.db2.gz WCAFLTIWYIKDHS-VHSXEESVSA-N 1 3 200.326 1.271 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H](CO)CC1CCC1 ZINC001576383461 993289067 /nfs/dbraw/zinc/28/90/67/993289067.db2.gz OUDVGUDUWJELAW-UTUOFQBUSA-N 1 3 226.364 1.253 20 0 BDADHO CC1(C)CC[C@@H](CNCC[C@H]2CCOC2)[NH2+]C1 ZINC001576421959 993299947 /nfs/dbraw/zinc/29/99/47/993299947.db2.gz SNLLOHOYILQDMN-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@]1(CNC[C@H]2CCCC(C)(C)O2)CC[NH2+]C1 ZINC001576518753 993327345 /nfs/dbraw/zinc/32/73/45/993327345.db2.gz GNTHWBODBGIZIF-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(O)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC001576546092 993339566 /nfs/dbraw/zinc/33/95/66/993339566.db2.gz ZMRLOWVZWDXYMF-VFIJVLHUSA-N 1 3 224.348 1.163 20 0 BDADHO CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC000380684772 993343143 /nfs/dbraw/zinc/34/31/43/993343143.db2.gz HFWVMXWZQLDURQ-NWDGAFQWSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)(C)[C@H](O)C[N@H+]1CCCC[C@@H](CN)C1 ZINC000380684772 993343149 /nfs/dbraw/zinc/34/31/49/993343149.db2.gz HFWVMXWZQLDURQ-NWDGAFQWSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CCC[C@H]32)C[NH2+]1 ZINC001576667634 993378285 /nfs/dbraw/zinc/37/82/85/993378285.db2.gz VHRAZXCGHQDILE-UJPOAAIJSA-N 1 3 208.349 1.905 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC000381323902 993384479 /nfs/dbraw/zinc/38/44/79/993384479.db2.gz QBRFFFWPUSBYNZ-AVGNSLFASA-N 1 3 228.380 1.730 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC000381323902 993384486 /nfs/dbraw/zinc/38/44/86/993384486.db2.gz QBRFFFWPUSBYNZ-AVGNSLFASA-N 1 3 228.380 1.730 20 0 BDADHO C[C@@H](O)[C@@H]1C[C@H](C)CCN1CCC[NH2+]C1CC1 ZINC001576730985 993408726 /nfs/dbraw/zinc/40/87/26/993408726.db2.gz BPRBWXUQKRSAAB-BZPMIXESSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@@](C)(CN1CCC[C@@]2(CC[NH2+]C2)C1)OC ZINC001576949874 993465685 /nfs/dbraw/zinc/46/56/85/993465685.db2.gz TYDFGKYDAUQOOJ-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@](C)(O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001576959319 993467690 /nfs/dbraw/zinc/46/76/90/993467690.db2.gz FFHIQPYUUVOWPX-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO CCC(CC)(CN)[NH2+]Cc1cnn(C)c1 ZINC001577059632 993493332 /nfs/dbraw/zinc/49/33/32/993493332.db2.gz SOGNFHZRULPEHN-UHFFFAOYSA-N 1 3 210.325 1.027 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001577240810 993553204 /nfs/dbraw/zinc/55/32/04/993553204.db2.gz NDEVMAFQERYNKY-WISYIIOYSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@@H]1CC[N@H+](C[C@@](C)(O)CNC)[C@@H]1C ZINC001577263658 993568453 /nfs/dbraw/zinc/56/84/53/993568453.db2.gz UHOPAEKCMRLELB-UTUOFQBUSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1CC[N@@H+](C[C@@](C)(O)CNC)[C@@H]1C ZINC001577263658 993568465 /nfs/dbraw/zinc/56/84/65/993568465.db2.gz UHOPAEKCMRLELB-UTUOFQBUSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1CN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC001577280108 993577020 /nfs/dbraw/zinc/57/70/20/993577020.db2.gz XOTCNUPECYKTET-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CCCC[C@@H](C(=O)OC)N1CC[C@@H](CC[NH3+])C1 ZINC001577387949 993638134 /nfs/dbraw/zinc/63/81/34/993638134.db2.gz CNOHTNBKUHXDFD-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCCC[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001577401010 993643971 /nfs/dbraw/zinc/64/39/71/993643971.db2.gz UCGXZDSPRSZEHD-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCCC[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001577401010 993643976 /nfs/dbraw/zinc/64/39/76/993643976.db2.gz UCGXZDSPRSZEHD-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCCCC1([NH2+]C[C@@](C)(O)CNC)CC1 ZINC001577419169 993659754 /nfs/dbraw/zinc/65/97/54/993659754.db2.gz LRQXOFPSPMLLDL-NSHDSACASA-N 1 3 214.353 1.269 20 0 BDADHO CCCCC1(NC[C@@](C)(O)C[NH2+]C)CC1 ZINC001577419169 993659759 /nfs/dbraw/zinc/65/97/59/993659759.db2.gz LRQXOFPSPMLLDL-NSHDSACASA-N 1 3 214.353 1.269 20 0 BDADHO CCCCC1([NH2+]C[C@](C)(O)CNC)CC1 ZINC001577419168 993658770 /nfs/dbraw/zinc/65/87/70/993658770.db2.gz LRQXOFPSPMLLDL-LLVKDONJSA-N 1 3 214.353 1.269 20 0 BDADHO CCCCC1(NC[C@](C)(O)C[NH2+]C)CC1 ZINC001577419168 993658772 /nfs/dbraw/zinc/65/87/72/993658772.db2.gz LRQXOFPSPMLLDL-LLVKDONJSA-N 1 3 214.353 1.269 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](C)O ZINC000386751860 993694667 /nfs/dbraw/zinc/69/46/67/993694667.db2.gz GSNFNXGFECUSOZ-NDBYEHHHSA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](C)O ZINC000386751860 993694671 /nfs/dbraw/zinc/69/46/71/993694671.db2.gz GSNFNXGFECUSOZ-NDBYEHHHSA-N 1 3 226.364 1.362 20 0 BDADHO CC[NH+]1CCC(n2c(C)nc3c2CNCC3)CC1 ZINC000387407339 993708162 /nfs/dbraw/zinc/70/81/62/993708162.db2.gz MBMQJHABTJILJP-UHFFFAOYSA-N 1 3 248.374 1.494 20 0 BDADHO CC[C@@H]1CCCN1C[C@H](O)C[NH+](CC)CC ZINC000390599912 993801179 /nfs/dbraw/zinc/80/11/79/993801179.db2.gz VQKCXHLYTQBIQH-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CC(C)O[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701658431 993898260 /nfs/dbraw/zinc/89/82/60/993898260.db2.gz RXAVVATYAOYZHH-JHJVBQTASA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000701658431 993898262 /nfs/dbraw/zinc/89/82/62/993898262.db2.gz RXAVVATYAOYZHH-JHJVBQTASA-N 1 3 226.364 1.626 20 0 BDADHO CC(C)O[C@@H]1CC[N@H+]([C@@H]2CCN[C@H](C)C2)C1 ZINC000701658431 993898267 /nfs/dbraw/zinc/89/82/67/993898267.db2.gz RXAVVATYAOYZHH-JHJVBQTASA-N 1 3 226.364 1.626 20 0 BDADHO CCO[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000701663923 993899411 /nfs/dbraw/zinc/89/94/11/993899411.db2.gz TZTHLPHQCPNWLT-QJPTWQEYSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC000701663923 993899413 /nfs/dbraw/zinc/89/94/13/993899413.db2.gz TZTHLPHQCPNWLT-QJPTWQEYSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@H+]([C@@H]2CCN[C@@H](C)C2)C1 ZINC000701663923 993899422 /nfs/dbraw/zinc/89/94/22/993899422.db2.gz TZTHLPHQCPNWLT-QJPTWQEYSA-N 1 3 212.337 1.238 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC2(OC)CCC2)C1 ZINC001336732433 995087147 /nfs/dbraw/zinc/08/71/47/995087147.db2.gz QDHLYWJNGHIKOL-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC001308253877 995602907 /nfs/dbraw/zinc/60/29/07/995602907.db2.gz CTOAKDBNFFSCHZ-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@@H](C)CCO ZINC000649870472 398157460 /nfs/dbraw/zinc/15/74/60/398157460.db2.gz AGYVTPOOUDXAEH-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@@H](C)CCO ZINC000649870472 398157463 /nfs/dbraw/zinc/15/74/63/398157463.db2.gz AGYVTPOOUDXAEH-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO CC(C)CN(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000380055514 398182094 /nfs/dbraw/zinc/18/20/94/398182094.db2.gz YEBGHNRLMBDBRU-GFCCVEGCSA-N 1 3 216.369 1.275 20 0 BDADHO CC(C)CN(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000380055514 398182096 /nfs/dbraw/zinc/18/20/96/398182096.db2.gz YEBGHNRLMBDBRU-GFCCVEGCSA-N 1 3 216.369 1.275 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423019600 398161097 /nfs/dbraw/zinc/16/10/97/398161097.db2.gz WHPYLOQYZPCPDV-YIYPIFLZSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1cc(F)ccc1CN[C@H](C)CC[NH3+] ZINC000220503606 178086565 /nfs/dbraw/zinc/08/65/65/178086565.db2.gz CODWNIWPXGNVCQ-SNVBAGLBSA-N 1 3 210.296 1.961 20 0 BDADHO COC[C@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334260153 398194639 /nfs/dbraw/zinc/19/46/39/398194639.db2.gz RKCLILJIDLWLMO-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334260153 398194641 /nfs/dbraw/zinc/19/46/41/398194641.db2.gz RKCLILJIDLWLMO-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO Cc1cc(N2CCCN([C@@H](C)CO)CC2)cc[nH+]1 ZINC000365348936 178115211 /nfs/dbraw/zinc/11/52/11/178115211.db2.gz XZIMECOCPSXNQU-ZDUSSCGKSA-N 1 3 249.358 1.283 20 0 BDADHO COC[C@@H](C)CN1CCC(C)([NH3+])CC1 ZINC000380090694 398184478 /nfs/dbraw/zinc/18/44/78/398184478.db2.gz ITTJCVDWCYOAPS-JTQLQIEISA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)CC(F)F ZINC000647800623 398207153 /nfs/dbraw/zinc/20/71/53/398207153.db2.gz HZUINWMYZMWCCR-AEJSXWLSSA-N 1 3 220.307 1.995 20 0 BDADHO CCC[C@H](CN[C@@H](C)CC[NH+](C)C)OC ZINC000386556225 398213451 /nfs/dbraw/zinc/21/34/51/398213451.db2.gz IBCVDGAEWLZHPV-NWDGAFQWSA-N 1 3 216.369 1.731 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCS[C@@H]1C ZINC000647803988 398214581 /nfs/dbraw/zinc/21/45/81/398214581.db2.gz GZZHWQWQBMSZBN-MJDLHHQISA-N 1 3 244.404 1.222 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCS[C@@H]1C ZINC000647803988 398214585 /nfs/dbraw/zinc/21/45/85/398214585.db2.gz GZZHWQWQBMSZBN-MJDLHHQISA-N 1 3 244.404 1.222 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)C1CCCC1 ZINC000380986106 398216005 /nfs/dbraw/zinc/21/60/05/398216005.db2.gz DDSZMLCCGCIUEA-ZDUSSCGKSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)C1CCCC1 ZINC000380986106 398216009 /nfs/dbraw/zinc/21/60/09/398216009.db2.gz DDSZMLCCGCIUEA-ZDUSSCGKSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000381009208 398218375 /nfs/dbraw/zinc/21/83/75/398218375.db2.gz ROPPZXNOPPVMRA-CMPLNLGQSA-N 1 3 222.336 1.011 20 0 BDADHO CN(C[C@H](O)C[NH3+])C[C@H]1CCCC(C)(C)C1 ZINC000576368568 365579857 /nfs/dbraw/zinc/57/98/57/365579857.db2.gz AZUFOLSIVXYRQC-NWDGAFQWSA-N 1 3 228.380 1.454 20 0 BDADHO Cc1n[nH]cc1[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000643512130 398224568 /nfs/dbraw/zinc/22/45/68/398224568.db2.gz QQNZCNVMIWRCMA-NDMJEZRESA-N 1 3 236.363 1.886 20 0 BDADHO Cc1noc(C)c1CN1CCC[C@@H](CC[NH3+])C1 ZINC000070169481 398221569 /nfs/dbraw/zinc/22/15/69/398221569.db2.gz UJJNAUUKBRZSSS-LBPRGKRZSA-N 1 3 237.347 1.852 20 0 BDADHO CC[C@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000430841756 398233037 /nfs/dbraw/zinc/23/30/37/398233037.db2.gz YHRRNHBNFJRSIZ-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@H]1C[C@H](N(C)CCn2ccnc2)CC[N@@H+]1C ZINC000162017378 349524676 /nfs/dbraw/zinc/52/46/76/349524676.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 1 3 236.363 1.298 20 0 BDADHO C[C@H]1C[C@H](N(C)CCn2ccnc2)CC[N@H+]1C ZINC000162017378 349524679 /nfs/dbraw/zinc/52/46/79/349524679.db2.gz BHRVHZHDOJOYKJ-QWHCGFSZSA-N 1 3 236.363 1.298 20 0 BDADHO C[C@@H]1CCCC[C@H]1C[NH2+]CCOCCN(C)C ZINC000349190570 398245500 /nfs/dbraw/zinc/24/55/00/398245500.db2.gz KPSBWUCOOOKEQF-KGLIPLIRSA-N 1 3 242.407 1.981 20 0 BDADHO CN(C)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182676971 538963840 /nfs/dbraw/zinc/96/38/40/538963840.db2.gz PKSGJPPVNBBCGS-UHFFFAOYSA-N 1 3 236.363 1.299 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678045195 488181396 /nfs/dbraw/zinc/18/13/96/488181396.db2.gz YPUQHCICHQSSRA-STQMWFEESA-N 1 3 228.380 1.279 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678045195 488181402 /nfs/dbraw/zinc/18/14/02/488181402.db2.gz YPUQHCICHQSSRA-STQMWFEESA-N 1 3 228.380 1.279 20 0 BDADHO C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)CN1CCCC1 ZINC000232457235 342835061 /nfs/dbraw/zinc/83/50/61/342835061.db2.gz RKFXHUOZCBERMB-ZIAGYGMSSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@@H]1CCO[C@@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457235 342835062 /nfs/dbraw/zinc/83/50/62/342835062.db2.gz RKFXHUOZCBERMB-ZIAGYGMSSA-N 1 3 238.375 1.629 20 0 BDADHO Cc1n[nH]cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335632694 136241621 /nfs/dbraw/zinc/24/16/21/136241621.db2.gz IONBJLKQMMHLOA-QWHCGFSZSA-N 1 3 248.374 1.540 20 0 BDADHO c1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633527 136241678 /nfs/dbraw/zinc/24/16/78/136241678.db2.gz IYFFDWFRSNFCQM-RYUDHWBXSA-N 1 3 234.347 1.231 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000062948704 539017180 /nfs/dbraw/zinc/01/71/80/539017180.db2.gz HTZGYVGYROHERD-CHWSQXEVSA-N 1 3 225.380 1.153 20 0 BDADHO C1CC(N[C@@H]2CCCC[NH2+]C2)CCS1 ZINC000335644859 136243188 /nfs/dbraw/zinc/24/31/88/136243188.db2.gz VUHVXAJIVXELFC-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000037175250 398304711 /nfs/dbraw/zinc/30/47/11/398304711.db2.gz BHQASQCQSITTFV-WDEREUQCSA-N 1 3 214.378 1.423 20 0 BDADHO C[N@H+](C[C@H]1CCCNC1)[C@@H]1CCSC1 ZINC000037175250 398304714 /nfs/dbraw/zinc/30/47/14/398304714.db2.gz BHQASQCQSITTFV-WDEREUQCSA-N 1 3 214.378 1.423 20 0 BDADHO C[N@@H+](C[C@H]1CCCNC1)[C@@H]1CCSC1 ZINC000037175250 398304715 /nfs/dbraw/zinc/30/47/15/398304715.db2.gz BHQASQCQSITTFV-WDEREUQCSA-N 1 3 214.378 1.423 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1(C)C ZINC000300392918 259326909 /nfs/dbraw/zinc/32/69/09/259326909.db2.gz WCNAWOGZIQSAJG-WHOHXGKFSA-N 1 3 226.364 1.659 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000300392918 259326910 /nfs/dbraw/zinc/32/69/10/259326910.db2.gz WCNAWOGZIQSAJG-WHOHXGKFSA-N 1 3 226.364 1.659 20 0 BDADHO Cc1ccncc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000167243791 136245136 /nfs/dbraw/zinc/24/51/36/136245136.db2.gz AEMMCIHIJDJJRO-YPMHNXCESA-N 1 3 219.332 1.607 20 0 BDADHO Nc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000351482150 136246197 /nfs/dbraw/zinc/24/61/97/136246197.db2.gz ZEYLLXFXAUNSGR-UBHSHLNASA-N 1 3 231.343 1.438 20 0 BDADHO C[C@H](C[NH2+]C[C@H]1CCSC1)CN(C)C ZINC000308592419 346886599 /nfs/dbraw/zinc/88/65/99/346886599.db2.gz WGWJWZMIPPTZGD-GHMZBOCLSA-N 1 3 216.394 1.527 20 0 BDADHO C(C1CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916578 398335259 /nfs/dbraw/zinc/33/52/59/398335259.db2.gz UEOSLVOQZQCYDK-STQMWFEESA-N 1 3 208.349 1.860 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccccc2N(C)C)C1 ZINC000351856753 136258056 /nfs/dbraw/zinc/25/80/56/136258056.db2.gz WATJLUKKLBQJAV-STQMWFEESA-N 1 3 247.386 1.922 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000235094714 342977150 /nfs/dbraw/zinc/97/71/50/342977150.db2.gz FNYQQTIQPLKSMP-VHSXEESVSA-N 1 3 214.378 1.742 20 0 BDADHO CSC1(CN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000235094714 342977151 /nfs/dbraw/zinc/97/71/51/342977151.db2.gz FNYQQTIQPLKSMP-VHSXEESVSA-N 1 3 214.378 1.742 20 0 BDADHO CCC[C@H](CCO)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386485991 343068322 /nfs/dbraw/zinc/06/83/22/343068322.db2.gz SWYAAAPNFIXKBN-MGPQQGTHSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H]1CC[C@H](CN[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688021 343245646 /nfs/dbraw/zinc/24/56/46/343245646.db2.gz FUZKZHXYPDVOSE-IRCOFANPSA-N 1 3 212.337 1.413 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000348754987 136297929 /nfs/dbraw/zinc/29/79/29/136297929.db2.gz DTPNKGQRFFTKLJ-YPMHNXCESA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000348754987 136297930 /nfs/dbraw/zinc/29/79/30/136297930.db2.gz DTPNKGQRFFTKLJ-YPMHNXCESA-N 1 3 236.363 1.251 20 0 BDADHO COc1cccc2c1C[C@H]([NH2+]C1CCNCC1)C2 ZINC000335612852 136295470 /nfs/dbraw/zinc/29/54/70/136295470.db2.gz JTCJDXMWFDVKAF-CYBMUJFWSA-N 1 3 246.354 1.504 20 0 BDADHO COc1cccc2c1C[C@H](NC1CC[NH2+]CC1)C2 ZINC000335612852 136295471 /nfs/dbraw/zinc/29/54/71/136295471.db2.gz JTCJDXMWFDVKAF-CYBMUJFWSA-N 1 3 246.354 1.504 20 0 BDADHO CC[C@@H](COC)NCCC[NH+](CC)CC ZINC000070623681 343335782 /nfs/dbraw/zinc/33/57/82/343335782.db2.gz MWTTYYDOYBQEEL-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO CC[C@@H](COC)[NH2+]CCCN(CC)CC ZINC000070623681 343335784 /nfs/dbraw/zinc/33/57/84/343335784.db2.gz MWTTYYDOYBQEEL-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO CC(C)[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000151760678 343416353 /nfs/dbraw/zinc/41/63/53/343416353.db2.gz PERHFLFBUNDPMC-GFCCVEGCSA-N 1 3 243.395 1.077 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000247980713 136373371 /nfs/dbraw/zinc/37/33/71/136373371.db2.gz MPLZFJZKKGQBPV-DZGCQCFKSA-N 1 3 247.386 1.944 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCc2ccccn2)[C@@H](C)C1 ZINC000247980713 136373372 /nfs/dbraw/zinc/37/33/72/136373372.db2.gz MPLZFJZKKGQBPV-DZGCQCFKSA-N 1 3 247.386 1.944 20 0 BDADHO COc1cccc(CNC[C@H](C)C[NH3+])c1 ZINC000258740089 136373762 /nfs/dbraw/zinc/37/37/62/136373762.db2.gz KYNDIUYOJOLZLJ-SNVBAGLBSA-N 1 3 208.305 1.380 20 0 BDADHO CC[NH+]1CCC(CNCc2cnn(C)c2)CC1 ZINC000044517652 343505860 /nfs/dbraw/zinc/50/58/60/343505860.db2.gz HFNYFWAVGUHJEK-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO CN(CCC[NH+]1CCCC1)CC(C)(C)O ZINC000086274666 343616777 /nfs/dbraw/zinc/61/67/77/343616777.db2.gz QICBRFIMYOXNPJ-UHFFFAOYSA-N 1 3 214.353 1.175 20 0 BDADHO C[N@H+](CCCN1CCCC1)CC(C)(C)O ZINC000086274666 343616780 /nfs/dbraw/zinc/61/67/80/343616780.db2.gz QICBRFIMYOXNPJ-UHFFFAOYSA-N 1 3 214.353 1.175 20 0 BDADHO C[N@@H+](CCCN1CCCC1)CC(C)(C)O ZINC000086274666 343616782 /nfs/dbraw/zinc/61/67/82/343616782.db2.gz QICBRFIMYOXNPJ-UHFFFAOYSA-N 1 3 214.353 1.175 20 0 BDADHO C([NH2+]C[C@H]1CCCOC1)[C@@H]1CCCNC1 ZINC000087646747 343656064 /nfs/dbraw/zinc/65/60/64/343656064.db2.gz QZCMXWYKZUIMKS-VXGBXAGGSA-N 1 3 212.337 1.002 20 0 BDADHO COC[C@H]([NH2+]C[C@H]1CCCNC1)C(C)C ZINC000087647480 343656099 /nfs/dbraw/zinc/65/60/99/343656099.db2.gz GUTRNDXNCWHLJT-RYUDHWBXSA-N 1 3 214.353 1.247 20 0 BDADHO COC[C@H](NC[C@H]1CCC[NH2+]C1)C(C)C ZINC000087647480 343656101 /nfs/dbraw/zinc/65/61/01/343656101.db2.gz GUTRNDXNCWHLJT-RYUDHWBXSA-N 1 3 214.353 1.247 20 0 BDADHO COCC1(N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000309064537 349829771 /nfs/dbraw/zinc/82/97/71/349829771.db2.gz YOJJJLQBFCOQFU-MNOVXSKESA-N 1 3 212.337 1.238 20 0 BDADHO COCC1(N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000309064537 349829772 /nfs/dbraw/zinc/82/97/72/349829772.db2.gz YOJJJLQBFCOQFU-MNOVXSKESA-N 1 3 212.337 1.238 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCC1)C1=CCN(C)CC1 ZINC000577056846 365796741 /nfs/dbraw/zinc/79/67/41/365796741.db2.gz XTGWWIVUPXUYBS-LLVKDONJSA-N 1 3 224.348 1.141 20 0 BDADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127733695 343746011 /nfs/dbraw/zinc/74/60/11/343746011.db2.gz IPFJNZMBHLSTHB-KGLIPLIRSA-N 1 3 238.375 1.796 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649963 323066078 /nfs/dbraw/zinc/06/60/78/323066078.db2.gz NPRIAOCWJDODMP-QWHCGFSZSA-N 1 3 240.391 1.789 20 0 BDADHO Cc1ccc(CNCC2(O)CC[NH+](C)CC2)o1 ZINC000077450520 344072505 /nfs/dbraw/zinc/07/25/05/344072505.db2.gz QYXAXAGJIQSPEI-UHFFFAOYSA-N 1 3 238.331 1.134 20 0 BDADHO CCOC[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732288 344106791 /nfs/dbraw/zinc/10/67/91/344106791.db2.gz CFCRNJQRPVZLGE-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000130560083 344148072 /nfs/dbraw/zinc/14/80/72/344148072.db2.gz PLMADMFFPHWGDA-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000130560083 344148073 /nfs/dbraw/zinc/14/80/73/344148073.db2.gz PLMADMFFPHWGDA-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO COC(=O)CCCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152449792 344568448 /nfs/dbraw/zinc/56/84/48/344568448.db2.gz SAEBZPZWYBKAIS-LBPRGKRZSA-N 1 3 242.363 1.213 20 0 BDADHO COC(=O)CCCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152449792 344568452 /nfs/dbraw/zinc/56/84/52/344568452.db2.gz SAEBZPZWYBKAIS-LBPRGKRZSA-N 1 3 242.363 1.213 20 0 BDADHO COc1ccc(CN2CCC[C@H](CC[NH3+])C2)cn1 ZINC000158323172 344596864 /nfs/dbraw/zinc/59/68/64/344596864.db2.gz LHBQRDROSBITGO-GFCCVEGCSA-N 1 3 249.358 1.651 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000493535104 530056826 /nfs/dbraw/zinc/05/68/26/530056826.db2.gz YZQSQNYVZDASFK-MGPQQGTHSA-N 1 3 240.391 1.611 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000579342114 344951267 /nfs/dbraw/zinc/95/12/67/344951267.db2.gz YEKOBDYDZQHCNR-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)[C@H](C)C1)C(C)C ZINC000156572788 345181274 /nfs/dbraw/zinc/18/12/74/345181274.db2.gz BMGOUZFZERTTDL-KGLIPLIRSA-N 1 3 241.423 1.789 20 0 BDADHO C([NH2+][C@H]1CCC[C@H]2OCC[C@H]21)C12CC(C1)CN2 ZINC000634995514 345185297 /nfs/dbraw/zinc/18/52/97/345185297.db2.gz HDHBMELYFBHVOD-VWGAPNJBSA-N 1 3 236.359 1.286 20 0 BDADHO C(N[C@H]1CCC[C@H]2OCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634995514 345185300 /nfs/dbraw/zinc/18/53/00/345185300.db2.gz HDHBMELYFBHVOD-VWGAPNJBSA-N 1 3 236.359 1.286 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000635003198 345205336 /nfs/dbraw/zinc/20/53/36/345205336.db2.gz GXPXBIWETGRZRY-YNEHKIRRSA-N 1 3 228.380 1.645 20 0 BDADHO CCC[C@H](CCO)N[C@H]1CCC[C@@H]1[NH3+] ZINC000635003697 345207088 /nfs/dbraw/zinc/20/70/88/345207088.db2.gz KJSNZCBWCIZNFW-VWYCJHECSA-N 1 3 200.326 1.007 20 0 BDADHO N[C@@H](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000635010130 345212075 /nfs/dbraw/zinc/21/20/75/345212075.db2.gz YOFXFUHQQDRXBB-AWEZNQCLSA-N 1 3 248.370 1.715 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNCC(C)(C)C2)CCO1 ZINC000635012155 345214457 /nfs/dbraw/zinc/21/44/57/345214457.db2.gz REYHKMDFHOAOFN-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO OC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979632 345768264 /nfs/dbraw/zinc/76/82/64/345768264.db2.gz KIQNOLREJAFVAF-VXGBXAGGSA-N 1 3 224.348 1.118 20 0 BDADHO OC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000159979632 345768266 /nfs/dbraw/zinc/76/82/66/345768266.db2.gz KIQNOLREJAFVAF-VXGBXAGGSA-N 1 3 224.348 1.118 20 0 BDADHO Cc1cc(N2C[C@H](C)N(CCO)C[C@H]2C)cc[nH+]1 ZINC000418991986 192091500 /nfs/dbraw/zinc/09/15/00/192091500.db2.gz FJZZYBHQENVMTH-QWHCGFSZSA-N 1 3 249.358 1.281 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000234839428 537931042 /nfs/dbraw/zinc/93/10/42/537931042.db2.gz ZKHYSUYSCUDEHC-CHWSQXEVSA-N 1 3 244.379 1.112 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169813691 346165534 /nfs/dbraw/zinc/16/55/34/346165534.db2.gz TYPBDHOHHKHFLP-NSHDSACASA-N 1 3 221.304 1.067 20 0 BDADHO Cc1ncc(CNCC2(C)CC[NH+](C)CC2)o1 ZINC000628235774 346189678 /nfs/dbraw/zinc/18/96/78/346189678.db2.gz BNABVZBLFLEHSI-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO C[N@H+]1CC=C(CNCc2ccncc2N)CC1 ZINC000641745970 362667311 /nfs/dbraw/zinc/66/73/11/362667311.db2.gz JBOSWFRYPYFFDQ-UHFFFAOYSA-N 1 3 232.331 1.015 20 0 BDADHO C[N@@H+]1CC=C(CNCc2ccncc2N)CC1 ZINC000641745970 362667317 /nfs/dbraw/zinc/66/73/17/362667317.db2.gz JBOSWFRYPYFFDQ-UHFFFAOYSA-N 1 3 232.331 1.015 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CCO1 ZINC000300369221 346433087 /nfs/dbraw/zinc/43/30/87/346433087.db2.gz CCKIGEUUJNGVEG-WISYIIOYSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000300369672 346433521 /nfs/dbraw/zinc/43/35/21/346433521.db2.gz ZRUHHLMXGSBVML-GRYCIOLGSA-N 1 3 225.380 1.329 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2cncn2C)C1 ZINC000641797255 362743371 /nfs/dbraw/zinc/74/33/71/362743371.db2.gz ZMKOBKFDTWVPOF-NEPJUHHUSA-N 1 3 236.363 1.022 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@H](N)C1(C)C)C1CCCC1 ZINC000641801319 362755007 /nfs/dbraw/zinc/75/50/07/362755007.db2.gz PUQORTUUBMSLCU-AGIUHOORSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])C1(C)C)C1CCCC1 ZINC000641801319 362755011 /nfs/dbraw/zinc/75/50/11/362755011.db2.gz PUQORTUUBMSLCU-AGIUHOORSA-N 1 3 240.391 1.907 20 0 BDADHO COC[C@@H](C)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000187353784 346570660 /nfs/dbraw/zinc/57/06/60/346570660.db2.gz CPTQOTDBTDMPPK-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@@H](C)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000187353784 346570662 /nfs/dbraw/zinc/57/06/62/346570662.db2.gz CPTQOTDBTDMPPK-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@@H](C)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000187353784 346570664 /nfs/dbraw/zinc/57/06/64/346570664.db2.gz CPTQOTDBTDMPPK-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC(C(C)C)CC1 ZINC000310336477 347266340 /nfs/dbraw/zinc/26/63/40/347266340.db2.gz CTUDUULIBZDTSY-AWEZNQCLSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC(C(C)C)CC1 ZINC000310336477 347266341 /nfs/dbraw/zinc/26/63/41/347266341.db2.gz CTUDUULIBZDTSY-AWEZNQCLSA-N 1 3 242.407 1.667 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000382384086 347302255 /nfs/dbraw/zinc/30/22/55/347302255.db2.gz KWUKGRHOVGOBNB-RDBSUJKOSA-N 1 3 240.391 1.741 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[C@@H]1O ZINC000382384086 347302258 /nfs/dbraw/zinc/30/22/58/347302258.db2.gz KWUKGRHOVGOBNB-RDBSUJKOSA-N 1 3 240.391 1.741 20 0 BDADHO C[N@@H+]1CC[C@@H](NC[C@H]2CCCO2)CC1(C)C ZINC000251114443 362838221 /nfs/dbraw/zinc/83/82/21/362838221.db2.gz CWIZESWBRKHWBX-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CC[C@@H](NC[C@H]2CCCO2)CC1(C)C ZINC000251114443 362838227 /nfs/dbraw/zinc/83/82/27/362838227.db2.gz CWIZESWBRKHWBX-VXGBXAGGSA-N 1 3 226.364 1.628 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000392254312 347513895 /nfs/dbraw/zinc/51/38/95/347513895.db2.gz WIXGFFHZORVQTG-CYBMUJFWSA-N 1 3 238.375 1.796 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000392254315 347514174 /nfs/dbraw/zinc/51/41/74/347514174.db2.gz WIXGFFHZORVQTG-ZDUSSCGKSA-N 1 3 238.375 1.796 20 0 BDADHO C1=C(C[NH2+]C[C@H]2CCN(C3CC3)C2)COCC1 ZINC000176828700 365909149 /nfs/dbraw/zinc/90/91/49/365909149.db2.gz NEQBUNGWYHEYRY-GFCCVEGCSA-N 1 3 236.359 1.407 20 0 BDADHO C1=C(CNC[C@H]2CC[N@@H+](C3CC3)C2)COCC1 ZINC000176828700 365909158 /nfs/dbraw/zinc/90/91/58/365909158.db2.gz NEQBUNGWYHEYRY-GFCCVEGCSA-N 1 3 236.359 1.407 20 0 BDADHO C1=C(CNC[C@H]2CC[N@H+](C3CC3)C2)COCC1 ZINC000176828700 365909164 /nfs/dbraw/zinc/90/91/64/365909164.db2.gz NEQBUNGWYHEYRY-GFCCVEGCSA-N 1 3 236.359 1.407 20 0 BDADHO CCN1CCC(N(C)C(=O)CCCC[NH3+])CC1 ZINC000070201675 349976341 /nfs/dbraw/zinc/97/63/41/349976341.db2.gz NEOMKVWDIABANB-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO COC(=O)C1CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000592438862 347779275 /nfs/dbraw/zinc/77/92/75/347779275.db2.gz QTDMUQFLIOOAAG-QYNFOATHSA-N 1 3 242.363 1.434 20 0 BDADHO CC[C@H](CSC)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000253011193 347870306 /nfs/dbraw/zinc/87/03/06/347870306.db2.gz CGJXJNQAQLNWOU-AXFHLTTASA-N 1 3 216.394 1.988 20 0 BDADHO C[C@@H]1CC[C@@H](CN2CCCC[C@H]2CC[NH3+])O1 ZINC000251604751 362889047 /nfs/dbraw/zinc/88/90/47/362889047.db2.gz CUSAWALKDKAXSJ-AGIUHOORSA-N 1 3 226.364 1.757 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623491356 362915580 /nfs/dbraw/zinc/91/55/80/362915580.db2.gz QYDUMFDGFROAFG-GFCCVEGCSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623491356 362915585 /nfs/dbraw/zinc/91/55/85/362915585.db2.gz QYDUMFDGFROAFG-GFCCVEGCSA-N 1 3 228.380 1.874 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497130 362920684 /nfs/dbraw/zinc/92/06/84/362920684.db2.gz YEHJCAWXROBTPW-SRVKXCTJSA-N 1 3 240.391 1.608 20 0 BDADHO C[N@H+]1CC[C@H](N[C@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497130 362920692 /nfs/dbraw/zinc/92/06/92/362920692.db2.gz YEHJCAWXROBTPW-SRVKXCTJSA-N 1 3 240.391 1.608 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCCN ZINC000122925770 490184366 /nfs/dbraw/zinc/18/43/66/490184366.db2.gz XATOUXIMCOFGFF-NSHDSACASA-N 1 3 222.332 1.604 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCCN ZINC000122925770 490184372 /nfs/dbraw/zinc/18/43/72/490184372.db2.gz XATOUXIMCOFGFF-NSHDSACASA-N 1 3 222.332 1.604 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000596655492 348600076 /nfs/dbraw/zinc/60/00/76/348600076.db2.gz WBNHYWZQNOOEDL-WHOHXGKFSA-N 1 3 242.363 1.162 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](C2CCCC2)CC1 ZINC000421848579 192393571 /nfs/dbraw/zinc/39/35/71/192393571.db2.gz ARSGTCSDLFHMGB-CQSZACIVSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000421848579 192393572 /nfs/dbraw/zinc/39/35/72/192393572.db2.gz ARSGTCSDLFHMGB-CQSZACIVSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000250521230 349175116 /nfs/dbraw/zinc/17/51/16/349175116.db2.gz STRXLTKSFOSKMO-NEPJUHHUSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCSC2)C1 ZINC000250521230 349175119 /nfs/dbraw/zinc/17/51/19/349175119.db2.gz STRXLTKSFOSKMO-NEPJUHHUSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCSC2)C1 ZINC000250521230 349175121 /nfs/dbraw/zinc/17/51/21/349175121.db2.gz STRXLTKSFOSKMO-NEPJUHHUSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252745303 349208877 /nfs/dbraw/zinc/20/88/77/349208877.db2.gz PEVNENPVNFGETM-YNEHKIRRSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCO[C@H]2C)C1 ZINC000252745303 349208882 /nfs/dbraw/zinc/20/88/82/349208882.db2.gz PEVNENPVNFGETM-YNEHKIRRSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCO[C@H]2C)C1 ZINC000252745303 349208886 /nfs/dbraw/zinc/20/88/86/349208886.db2.gz PEVNENPVNFGETM-YNEHKIRRSA-N 1 3 226.364 1.484 20 0 BDADHO C[NH2+]CC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000070480032 350014673 /nfs/dbraw/zinc/01/46/73/350014673.db2.gz MODJPOWHEBQLOP-NSHDSACASA-N 1 3 234.347 1.469 20 0 BDADHO CCN(C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000218466904 350094441 /nfs/dbraw/zinc/09/44/41/350094441.db2.gz LEQPRSXEEDVMLO-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1cc(C[NH2+]C[C@H](C)CN(C)C)ccn1 ZINC000623529982 362949591 /nfs/dbraw/zinc/94/95/91/362949591.db2.gz IAZNLORDCFOQNJ-NSHDSACASA-N 1 3 221.348 1.677 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000132053187 191024284 /nfs/dbraw/zinc/02/42/84/191024284.db2.gz XIETVBQAYCZECT-STQMWFEESA-N 1 3 227.396 1.258 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000132373596 191030706 /nfs/dbraw/zinc/03/07/06/191030706.db2.gz UQSGAVUCFNJFBO-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CCOC[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000132373596 191030709 /nfs/dbraw/zinc/03/07/09/191030709.db2.gz UQSGAVUCFNJFBO-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132418100 191032164 /nfs/dbraw/zinc/03/21/64/191032164.db2.gz NZQAICPEASKCPZ-FDYHWXHSSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132418100 191032167 /nfs/dbraw/zinc/03/21/67/191032167.db2.gz NZQAICPEASKCPZ-FDYHWXHSSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1CCC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000251922479 538064020 /nfs/dbraw/zinc/06/40/20/538064020.db2.gz USOUBFKDIALJKA-RFGFWPKPSA-N 1 3 222.376 1.964 20 0 BDADHO Cc1ncccc1C[NH2+]C[C@@H](C)CN(C)C ZINC000336656345 180221369 /nfs/dbraw/zinc/22/13/69/180221369.db2.gz HUCUCQHOCGJPPH-LLVKDONJSA-N 1 3 221.348 1.677 20 0 BDADHO Cc1ncccc1C[NH2+]C[C@H](C)CN(C)C ZINC000336656348 180222461 /nfs/dbraw/zinc/22/24/61/180222461.db2.gz HUCUCQHOCGJPPH-NSHDSACASA-N 1 3 221.348 1.677 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)CCSC ZINC000309292295 350255832 /nfs/dbraw/zinc/25/58/32/350255832.db2.gz WBXYJNZGBOGEJE-RYUDHWBXSA-N 1 3 248.436 1.372 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)CCSC ZINC000309292295 350255833 /nfs/dbraw/zinc/25/58/33/350255833.db2.gz WBXYJNZGBOGEJE-RYUDHWBXSA-N 1 3 248.436 1.372 20 0 BDADHO Cc1nccnc1[C@H](C)NCCCC[NH+](C)C ZINC000219119853 180281828 /nfs/dbraw/zinc/28/18/28/180281828.db2.gz UMMRWNPWIQWQLZ-NSHDSACASA-N 1 3 236.363 1.777 20 0 BDADHO CC[NH+]1CCC(N(C)C[C@H](C)OC)CC1 ZINC000336653315 350420469 /nfs/dbraw/zinc/42/04/69/350420469.db2.gz YACAATDHUPSDCN-NSHDSACASA-N 1 3 214.353 1.437 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+]1CCCOCC1 ZINC000335253936 538093368 /nfs/dbraw/zinc/09/33/68/538093368.db2.gz FDIJSPKDCZVLAD-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+]1CCCOCC1 ZINC000335253936 538093371 /nfs/dbraw/zinc/09/33/71/538093371.db2.gz FDIJSPKDCZVLAD-CYBMUJFWSA-N 1 3 226.364 1.583 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C)[C@H](C)O1 ZINC000384745661 350501375 /nfs/dbraw/zinc/50/13/75/350501375.db2.gz LZXXYXASPGNHHV-MJDLHHQISA-N 1 3 212.337 1.140 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@@H]2C)[C@H](C)O1 ZINC000384745661 350501377 /nfs/dbraw/zinc/50/13/77/350501377.db2.gz LZXXYXASPGNHHV-MJDLHHQISA-N 1 3 212.337 1.140 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000163507343 350524054 /nfs/dbraw/zinc/52/40/54/350524054.db2.gz FNXOYGHNRCRIGF-KBPBESRZSA-N 1 3 241.423 1.648 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637817357 351661457 /nfs/dbraw/zinc/66/14/57/351661457.db2.gz UQKXFLCSLOAYNQ-NWDGAFQWSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844418 351699763 /nfs/dbraw/zinc/69/97/63/351699763.db2.gz NNNBNVWUSGLLMT-VXGBXAGGSA-N 1 3 243.395 1.240 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637862722 351723524 /nfs/dbraw/zinc/72/35/24/351723524.db2.gz UFDCXXRUVBJPCR-LLVKDONJSA-N 1 3 243.395 1.193 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000638098114 351979492 /nfs/dbraw/zinc/97/94/92/351979492.db2.gz ZDVRVMINULJMSC-LBPRGKRZSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000638098114 351979494 /nfs/dbraw/zinc/97/94/94/351979494.db2.gz ZDVRVMINULJMSC-LBPRGKRZSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C)[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186074 352051209 /nfs/dbraw/zinc/05/12/09/352051209.db2.gz KLHTZZWSPFYAET-RVMXOQNASA-N 1 3 226.364 1.199 20 0 BDADHO C(C1CCSCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000638186352 352052091 /nfs/dbraw/zinc/05/20/91/352052091.db2.gz RJWFVRKTRXBUIS-RYUDHWBXSA-N 1 3 226.389 1.281 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638202600 352064513 /nfs/dbraw/zinc/06/45/13/352064513.db2.gz ATHJSGMRQGESIM-LLVKDONJSA-N 1 3 241.379 1.008 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000638382136 352193653 /nfs/dbraw/zinc/19/36/53/352193653.db2.gz SIFCAXFFHIWBIM-YIYPIFLZSA-N 1 3 222.376 1.964 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000638409281 352218434 /nfs/dbraw/zinc/21/84/34/352218434.db2.gz OHSXSDFNPPWNSS-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@@H]([NH3+])CC(=O)N1CCCc2cccc(CN)c21 ZINC000638549637 352379311 /nfs/dbraw/zinc/37/93/11/352379311.db2.gz QWJTWGVOPKERRU-SNVBAGLBSA-N 1 3 247.342 1.162 20 0 BDADHO C[C@H]1C[C@@H](CN2CCC([NH+](C)C)CC2)CCO1 ZINC000334253333 352890614 /nfs/dbraw/zinc/89/06/14/352890614.db2.gz XAYQGZXJXUBRGL-STQMWFEESA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](C)[C@@H](C[NH2+]CC1=CCN(C)CC1)OC ZINC000638838179 353023337 /nfs/dbraw/zinc/02/33/37/353023337.db2.gz DXKWLGPQHVZGQJ-GXTWGEPZSA-N 1 3 240.391 1.899 20 0 BDADHO CCC[C@@](C)(N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821912 353002470 /nfs/dbraw/zinc/00/24/70/353002470.db2.gz DDNXXAHVOQFWLX-DGCLKSJQSA-N 1 3 241.379 1.234 20 0 BDADHO C[C@H]([NH3+])CN1CCN(C2CCC(C)CC2)CC1 ZINC000334397303 353065559 /nfs/dbraw/zinc/06/55/59/353065559.db2.gz WQLAUSWPNTVZBL-MOKVOYLWSA-N 1 3 239.407 1.530 20 0 BDADHO CCN(CC)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000638865388 353039330 /nfs/dbraw/zinc/03/93/30/353039330.db2.gz VWZUOBZJWQNEPT-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029503 353296185 /nfs/dbraw/zinc/29/61/85/353296185.db2.gz FPAOWIUGJVJHPZ-SRVKXCTJSA-N 1 3 241.379 1.136 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000252981077 353314066 /nfs/dbraw/zinc/31/40/66/353314066.db2.gz PNSFULHJDVNAFF-VWYCJHECSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCSC2)C1 ZINC000252981077 353314068 /nfs/dbraw/zinc/31/40/68/353314068.db2.gz PNSFULHJDVNAFF-VWYCJHECSA-N 1 3 214.378 1.742 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000037786228 358478437 /nfs/dbraw/zinc/47/84/37/358478437.db2.gz ZOOUZYPDOTYFNO-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000230126583 353473335 /nfs/dbraw/zinc/47/33/35/353473335.db2.gz MCOXTWXUTWSZGZ-HZSPNIEDSA-N 1 3 231.343 1.641 20 0 BDADHO C1CC1[C@H]1OCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000232450666 353727126 /nfs/dbraw/zinc/72/71/26/353727126.db2.gz YFZVWULYZVYASS-JHJVBQTASA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000334558974 354007649 /nfs/dbraw/zinc/00/76/49/354007649.db2.gz JEQWWQCAKJKXLU-JQWIXIFHSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000334558977 354007666 /nfs/dbraw/zinc/00/76/66/354007666.db2.gz JEQWWQCAKJKXLU-ZYHUDNBSSA-N 1 3 244.342 1.732 20 0 BDADHO CC[N@H+](CCCN(C)C)Cc1ccc(=O)[nH]c1 ZINC000639175967 354212681 /nfs/dbraw/zinc/21/26/81/354212681.db2.gz SANOUTRCRZOVPE-UHFFFAOYSA-N 1 3 237.347 1.561 20 0 BDADHO CC[N@@H+](CCCN(C)C)Cc1ccc(=O)[nH]c1 ZINC000639175967 354212684 /nfs/dbraw/zinc/21/26/84/354212684.db2.gz SANOUTRCRZOVPE-UHFFFAOYSA-N 1 3 237.347 1.561 20 0 BDADHO CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)N(CC)CC ZINC000344651842 354338047 /nfs/dbraw/zinc/33/80/47/354338047.db2.gz GKYTXSUSSFBRRG-VXGBXAGGSA-N 1 3 243.395 1.173 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000344772169 354359638 /nfs/dbraw/zinc/35/96/38/354359638.db2.gz MMWWIBIADFUOHD-UONOGXRCSA-N 1 3 241.423 1.648 20 0 BDADHO NC1(C(=O)Nc2ccc(C[NH3+])cc2)CCCCC1 ZINC000334708513 354503459 /nfs/dbraw/zinc/50/34/59/354503459.db2.gz ZVYILUMOQHSIAR-UHFFFAOYSA-N 1 3 247.342 1.745 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])CC)C1(C)C ZINC000233766882 363407659 /nfs/dbraw/zinc/40/76/59/363407659.db2.gz FQYFWHLWBOCEIA-GARJFASQSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1c[nH+]ccc1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000335165949 354922950 /nfs/dbraw/zinc/92/29/50/354922950.db2.gz KNPKHUGQMYYIRB-VXGBXAGGSA-N 1 3 231.343 1.849 20 0 BDADHO C[C@@H](N)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335229466 355071949 /nfs/dbraw/zinc/07/19/49/355071949.db2.gz GWJRGKVJJIUHGN-OCCSQVGLSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@@H](N)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000335229466 355071951 /nfs/dbraw/zinc/07/19/51/355071951.db2.gz GWJRGKVJJIUHGN-OCCSQVGLSA-N 1 3 218.344 1.997 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000335240802 355156048 /nfs/dbraw/zinc/15/60/48/355156048.db2.gz MGSCGOWEGRBJKU-GFCCVEGCSA-N 1 3 233.315 1.144 20 0 BDADHO CN(C)Cc1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000347627131 355239984 /nfs/dbraw/zinc/23/99/84/355239984.db2.gz SQIFVSAADATSMQ-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO C[C@@]1(N)CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000405792180 355296458 /nfs/dbraw/zinc/29/64/58/355296458.db2.gz LKOVFRJFBXNTOY-NXEZZACHSA-N 1 3 200.351 1.305 20 0 BDADHO C[C@@]1(N)CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000405792180 355296460 /nfs/dbraw/zinc/29/64/60/355296460.db2.gz LKOVFRJFBXNTOY-NXEZZACHSA-N 1 3 200.351 1.305 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@@H]1CCCOC1 ZINC000389011783 355409363 /nfs/dbraw/zinc/40/93/63/355409363.db2.gz SPAZBJIGUWYLHL-UMSGYPCISA-N 1 3 226.364 1.661 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@H]1CCCOC1 ZINC000084718492 355486106 /nfs/dbraw/zinc/48/61/06/355486106.db2.gz OVTRQIBYXNRHAZ-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1cn2ccccc2n1 ZINC000415006827 191647960 /nfs/dbraw/zinc/64/79/60/191647960.db2.gz AMBRQUPPMCLSIL-LBPRGKRZSA-N 1 3 246.358 1.941 20 0 BDADHO C[C@H](CCCCO)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000398646555 355548155 /nfs/dbraw/zinc/54/81/55/355548155.db2.gz AENNAGVZJURPFX-AGIUHOORSA-N 1 3 228.380 1.658 20 0 BDADHO COc1ccc(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000216022207 355796680 /nfs/dbraw/zinc/79/66/80/355796680.db2.gz DHDHXXOSFZCFAD-AAEUAGOBSA-N 1 3 234.343 1.864 20 0 BDADHO CC(C)(O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000389197674 355839296 /nfs/dbraw/zinc/83/92/96/355839296.db2.gz BMSUVYBKPRHEPB-NXEZZACHSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000389197674 355839299 /nfs/dbraw/zinc/83/92/99/355839299.db2.gz BMSUVYBKPRHEPB-NXEZZACHSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530218231 355900397 /nfs/dbraw/zinc/90/03/97/355900397.db2.gz VUUZNUJTXJUGLP-DRZSPHRISA-N 1 3 224.348 1.295 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420314800 192213345 /nfs/dbraw/zinc/21/33/45/192213345.db2.gz LLGPKOSZWHXOQP-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420314800 192213346 /nfs/dbraw/zinc/21/33/46/192213346.db2.gz LLGPKOSZWHXOQP-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO CC[NH+]1CCC(N(C)Cc2cc[nH]c(=O)c2)CC1 ZINC000639510088 356340477 /nfs/dbraw/zinc/34/04/77/356340477.db2.gz VYXLGTWHZFPPFC-UHFFFAOYSA-N 1 3 249.358 1.703 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639510517 356343203 /nfs/dbraw/zinc/34/32/03/356343203.db2.gz BBRGJSVHTBKSRB-HZSPNIEDSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639510517 356343208 /nfs/dbraw/zinc/34/32/08/356343208.db2.gz BBRGJSVHTBKSRB-HZSPNIEDSA-N 1 3 240.391 1.685 20 0 BDADHO C(CN1CCOC[C@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000420368361 192225890 /nfs/dbraw/zinc/22/58/90/192225890.db2.gz WQNQGCFSEBCILI-OCCSQVGLSA-N 1 3 238.375 1.487 20 0 BDADHO CCCCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420329237 192229168 /nfs/dbraw/zinc/22/91/68/192229168.db2.gz ODEYNLZPZYLDSK-CYBMUJFWSA-N 1 3 240.391 1.864 20 0 BDADHO CCCCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420329237 192229170 /nfs/dbraw/zinc/22/91/70/192229170.db2.gz ODEYNLZPZYLDSK-CYBMUJFWSA-N 1 3 240.391 1.864 20 0 BDADHO Cc1ccc([C@H](C)NCCOCC[NH3+])cc1F ZINC000420400196 192238343 /nfs/dbraw/zinc/23/83/43/192238343.db2.gz IJSNNSAQOFHGNI-NSHDSACASA-N 1 3 240.322 1.760 20 0 BDADHO CCN(CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)O ZINC000352203204 134102729 /nfs/dbraw/zinc/10/27/29/134102729.db2.gz PYECPSNHHZGBTR-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H]1CCN(CCOCC2CC2)C[C@H]1C[NH3+] ZINC000420410740 192239936 /nfs/dbraw/zinc/23/99/36/192239936.db2.gz RHVMHCVFDWVIBM-DGCLKSJQSA-N 1 3 226.364 1.330 20 0 BDADHO Cc1cnn(CCN[C@H](C[NH3+])C(C)(C)C)c1 ZINC000420373501 192232011 /nfs/dbraw/zinc/23/20/11/192232011.db2.gz ZJNBZOUHDJONFC-LLVKDONJSA-N 1 3 224.352 1.155 20 0 BDADHO COCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374353 192232377 /nfs/dbraw/zinc/23/23/77/192232377.db2.gz NPVKMLVJOZFBRW-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO C[NH2+]CCCN1CCC(C)(COC)CC1 ZINC000420378393 192233493 /nfs/dbraw/zinc/23/34/93/192233493.db2.gz UBBHKCLEPANETD-UHFFFAOYSA-N 1 3 214.353 1.344 20 0 BDADHO CC[C@H]1CO[C@H](C)CN1CCC1CC[NH2+]CC1 ZINC000020593536 356489128 /nfs/dbraw/zinc/48/91/28/356489128.db2.gz OKGDFSXFMIYGJM-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO COCC1(CCN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000578132658 366286019 /nfs/dbraw/zinc/28/60/19/366286019.db2.gz QMGYHQBBHTZSEA-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000423123699 192577371 /nfs/dbraw/zinc/57/73/71/192577371.db2.gz LQJXPXDUDNZSKH-QWRGUYRKSA-N 1 3 214.328 1.986 20 0 BDADHO CCC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000450434633 202167400 /nfs/dbraw/zinc/16/74/00/202167400.db2.gz DLPWFLNNLZGHNC-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000450434633 202167402 /nfs/dbraw/zinc/16/74/02/202167402.db2.gz DLPWFLNNLZGHNC-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@@H]2CCO[C@@H]2C)CC1 ZINC000120057801 357031724 /nfs/dbraw/zinc/03/17/24/357031724.db2.gz CLPVBBSZNJIBLU-TZMCWYRMSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389788447 357032666 /nfs/dbraw/zinc/03/26/66/357032666.db2.gz NSMTXEWTVCRCMK-UMVBOHGHSA-N 1 3 247.386 1.444 20 0 BDADHO CC[C@H]1C[N@H+](C[C@@H](O)CN(C)CC)CCS1 ZINC000390587758 357102708 /nfs/dbraw/zinc/10/27/08/357102708.db2.gz RJJOPLMHXPVDEI-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO CC[C@H]1C[N@@H+](C[C@@H](O)CN(C)CC)CCS1 ZINC000390587758 357102713 /nfs/dbraw/zinc/10/27/13/357102713.db2.gz RJJOPLMHXPVDEI-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO COCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000656200485 538784894 /nfs/dbraw/zinc/78/48/94/538784894.db2.gz NLMWZWSFQCTKCU-FOSCPWQOSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000582415378 357140492 /nfs/dbraw/zinc/14/04/92/357140492.db2.gz QYLQADXWPTUIMS-NWDGAFQWSA-N 1 3 236.359 1.607 20 0 BDADHO CSC[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000399997672 357144635 /nfs/dbraw/zinc/14/46/35/357144635.db2.gz LITANOTYHFDMHO-GHMZBOCLSA-N 1 3 214.378 1.423 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000304318702 357162039 /nfs/dbraw/zinc/16/20/39/357162039.db2.gz PLGBROANGWLKFG-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000304318702 357162042 /nfs/dbraw/zinc/16/20/42/357162042.db2.gz PLGBROANGWLKFG-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000304335244 357162831 /nfs/dbraw/zinc/16/28/31/357162831.db2.gz WRPDQJBPIOBNDP-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000304335244 357162834 /nfs/dbraw/zinc/16/28/34/357162834.db2.gz WRPDQJBPIOBNDP-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000391143184 357122810 /nfs/dbraw/zinc/12/28/10/357122810.db2.gz SCHCDIOIABNPPQ-CHWSQXEVSA-N 1 3 219.332 1.750 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425898 357253968 /nfs/dbraw/zinc/25/39/68/357253968.db2.gz YUJPEQMTQKBTEY-CHWSQXEVSA-N 1 3 228.380 1.590 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCCOC1 ZINC000582546432 357331409 /nfs/dbraw/zinc/33/14/09/357331409.db2.gz RNZGSPCIOTXDOX-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO COc1ncccc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582735001 357376634 /nfs/dbraw/zinc/37/66/34/357376634.db2.gz ALJBGTCSRPZNKO-CHWSQXEVSA-N 1 3 249.358 1.492 20 0 BDADHO CN[C@@H](C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000582616045 357354136 /nfs/dbraw/zinc/35/41/36/357354136.db2.gz IWNNPQVKQNOJBW-NSHDSACASA-N 1 3 249.358 1.337 20 0 BDADHO Nc1ccc2c(c1)CC[C@H]2[NH2+]C1CCNCC1 ZINC000582856792 357422054 /nfs/dbraw/zinc/42/20/54/357422054.db2.gz FYTVKVNGICKQGQ-CQSZACIVSA-N 1 3 231.343 1.598 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CCO[C@H](C)C1 ZINC000582899096 357424929 /nfs/dbraw/zinc/42/49/29/357424929.db2.gz WNQUYIOUYPUUAU-NEPJUHHUSA-N 1 3 214.353 1.532 20 0 BDADHO CC(C)NCCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000582899096 357424933 /nfs/dbraw/zinc/42/49/33/357424933.db2.gz WNQUYIOUYPUUAU-NEPJUHHUSA-N 1 3 214.353 1.532 20 0 BDADHO CCCN(CC)C[C@H](O)C[N@H+](C)CC ZINC000379545401 357428205 /nfs/dbraw/zinc/42/82/05/357428205.db2.gz VYOGZGFIGLMDQE-LLVKDONJSA-N 1 3 202.342 1.031 20 0 BDADHO CCCN(CC)C[C@H](O)C[N@@H+](C)CC ZINC000379545401 357428209 /nfs/dbraw/zinc/42/82/09/357428209.db2.gz VYOGZGFIGLMDQE-LLVKDONJSA-N 1 3 202.342 1.031 20 0 BDADHO CC[C@@H](N)C(=O)N(CC)CCC[NH+](CC)CC ZINC000230712311 357573785 /nfs/dbraw/zinc/57/37/85/357573785.db2.gz PNBJEPFVUJRXIH-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000230483966 357525620 /nfs/dbraw/zinc/52/56/20/357525620.db2.gz DBAZOTKVHURXEQ-KWCYVHTRSA-N 1 3 242.407 1.904 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC000230479291 357526092 /nfs/dbraw/zinc/52/60/92/357526092.db2.gz VASLZAAJWNIYEP-WCQYABFASA-N 1 3 228.380 1.373 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+]C[C@H]1CCCNC1 ZINC000230479291 357526095 /nfs/dbraw/zinc/52/60/95/357526095.db2.gz VASLZAAJWNIYEP-WCQYABFASA-N 1 3 228.380 1.373 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCSCCCO ZINC000230785088 357564887 /nfs/dbraw/zinc/56/48/87/357564887.db2.gz HTACQTAEHOLOJE-RYUDHWBXSA-N 1 3 246.420 1.209 20 0 BDADHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000397616271 357627099 /nfs/dbraw/zinc/62/70/99/357627099.db2.gz UJCXMDWADAZHSV-YNEHKIRRSA-N 1 3 238.375 1.221 20 0 BDADHO C[C@@H]1CC([NH2+]CCOCCN(C)C)C[C@@H](C)C1 ZINC000231676054 357618348 /nfs/dbraw/zinc/61/83/48/357618348.db2.gz IUWNCHNHSAZBGT-STQMWFEESA-N 1 3 242.407 1.979 20 0 BDADHO C(C[NH2+]CC[C@H]1CCOC1)CN1CCCC1 ZINC000220842085 358055804 /nfs/dbraw/zinc/05/58/04/358055804.db2.gz PWJBDMIIDGGXOS-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCO1 ZINC000168713038 134246566 /nfs/dbraw/zinc/24/65/66/134246566.db2.gz RIVKJPUIJOZSRG-TUAOUCFPSA-N 1 3 212.337 1.286 20 0 BDADHO CCOCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000075860588 325318288 /nfs/dbraw/zinc/31/82/88/325318288.db2.gz AUMHFWHZKNDVKZ-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCOCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000075860588 325318292 /nfs/dbraw/zinc/31/82/92/325318292.db2.gz AUMHFWHZKNDVKZ-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CC(C)[C@@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421192 358165523 /nfs/dbraw/zinc/16/55/23/358165523.db2.gz BEEAECBAEGOJHZ-NEPJUHHUSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[C@@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421192 358165527 /nfs/dbraw/zinc/16/55/27/358165527.db2.gz BEEAECBAEGOJHZ-NEPJUHHUSA-N 1 3 228.380 1.466 20 0 BDADHO CCC[C@@]1(C)CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000584725747 358166190 /nfs/dbraw/zinc/16/61/90/358166190.db2.gz SOZYCDMHGBRFSA-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@@]1(C)CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000584725747 358166194 /nfs/dbraw/zinc/16/61/94/358166194.db2.gz SOZYCDMHGBRFSA-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@@]1(C)CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000584725747 358166197 /nfs/dbraw/zinc/16/61/97/358166197.db2.gz SOZYCDMHGBRFSA-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CCN1CCC([NH2+][C@@H](C)CCN(C)C)CC1 ZINC000049551854 358694535 /nfs/dbraw/zinc/69/45/35/358694535.db2.gz WJIVGYQMGSYNRW-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCCOc2ccccc2)C1 ZINC000050248095 358721942 /nfs/dbraw/zinc/72/19/42/358721942.db2.gz GALNRGZILARTED-ZDUSSCGKSA-N 1 3 234.343 1.736 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccco2)C1 ZINC000086402764 358967123 /nfs/dbraw/zinc/96/71/23/358967123.db2.gz PFZNHINKZSJQFR-WDEREUQCSA-N 1 3 208.305 1.682 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC000247885312 359247063 /nfs/dbraw/zinc/24/70/63/359247063.db2.gz CXDNQKBAEVVXLY-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)N(C)C ZINC000247885312 359247069 /nfs/dbraw/zinc/24/70/69/359247069.db2.gz CXDNQKBAEVVXLY-NEPJUHHUSA-N 1 3 243.395 1.173 20 0 BDADHO Cc1cc([C@@H](C)N[C@H](C)CCCC[NH3+])nn1C ZINC000423437045 192769593 /nfs/dbraw/zinc/76/95/93/192769593.db2.gz QGQGDHAFSHCRDI-ZYHUDNBSSA-N 1 3 238.379 1.897 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@H]1CCOC1 ZINC000163288906 202352132 /nfs/dbraw/zinc/35/21/32/202352132.db2.gz HLBSECYRTHQGMQ-IHRRRGAJSA-N 1 3 240.391 1.733 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@@H]2CCOC2)CC1(C)C ZINC000623471313 359857203 /nfs/dbraw/zinc/85/72/03/359857203.db2.gz WTUPVUVOOVQWMB-WDEREUQCSA-N 1 3 212.337 1.238 20 0 BDADHO C[N@H+]1CC[C@H](N[C@@H]2CCOC2)CC1(C)C ZINC000623471313 359857209 /nfs/dbraw/zinc/85/72/09/359857209.db2.gz WTUPVUVOOVQWMB-WDEREUQCSA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@@H](CO)N(C)CCC[NH+]1CCCCC1 ZINC000451156570 202368201 /nfs/dbraw/zinc/36/82/01/202368201.db2.gz FKAPMBHWXSBLQR-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO C(CN1CCC[C@@H]2CCC[C@H]21)N1CC[NH2+]CC1 ZINC000087771421 359926543 /nfs/dbraw/zinc/92/65/43/359926543.db2.gz XYLYITNETPZYED-UONOGXRCSA-N 1 3 237.391 1.156 20 0 BDADHO CCNCCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000578878306 366664599 /nfs/dbraw/zinc/66/45/99/366664599.db2.gz MVPPFHXYENNXDS-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631198923 360760491 /nfs/dbraw/zinc/76/04/91/360760491.db2.gz MWFJXJAOOCQSCP-MGPQQGTHSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000631198923 360760494 /nfs/dbraw/zinc/76/04/94/360760494.db2.gz MWFJXJAOOCQSCP-MGPQQGTHSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000631198923 360760497 /nfs/dbraw/zinc/76/04/97/360760497.db2.gz MWFJXJAOOCQSCP-MGPQQGTHSA-N 1 3 240.391 1.754 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000156566273 360989860 /nfs/dbraw/zinc/98/98/60/360989860.db2.gz UAIXQRHKPYCGPB-BFHYXJOUSA-N 1 3 239.407 1.401 20 0 BDADHO Cc1ccc(C)c(C[NH2+]CC2(N)CCOCC2)c1 ZINC000629389120 361035436 /nfs/dbraw/zinc/03/54/36/361035436.db2.gz YBNPSZNCXMPODA-UHFFFAOYSA-N 1 3 248.370 1.901 20 0 BDADHO [NH3+]CCCOCCNCc1ccc(F)cc1 ZINC000629397735 361047760 /nfs/dbraw/zinc/04/77/60/361047760.db2.gz CBDGWDXIPPTGQH-UHFFFAOYSA-N 1 3 226.295 1.281 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@H](CN)C1)C1CC1 ZINC000629511916 361105742 /nfs/dbraw/zinc/10/57/42/361105742.db2.gz NJZRRDMHNVEJAS-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@H](CN)C1)C1CC1 ZINC000629511916 361105745 /nfs/dbraw/zinc/10/57/45/361105745.db2.gz NJZRRDMHNVEJAS-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@H](CN1CC[C@H](C[NH3+])C1)C1CC1 ZINC000629511916 361105747 /nfs/dbraw/zinc/10/57/47/361105747.db2.gz NJZRRDMHNVEJAS-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@@H](CN(C)CC(C)(C)C[NH3+])C1CC1 ZINC000629512930 361110274 /nfs/dbraw/zinc/11/02/74/361110274.db2.gz JOZYYKUDVFAQFE-LBPRGKRZSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@@H](C[N@H+](C)CC(C)(C)CN)C1CC1 ZINC000629512930 361110277 /nfs/dbraw/zinc/11/02/77/361110277.db2.gz JOZYYKUDVFAQFE-LBPRGKRZSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@@H](C[N@@H+](C)CC(C)(C)CN)C1CC1 ZINC000629512930 361110280 /nfs/dbraw/zinc/11/02/80/361110280.db2.gz JOZYYKUDVFAQFE-LBPRGKRZSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[C@H](CN[C@H](C)C1C[NH2+]C1)OCC ZINC000629515374 361112552 /nfs/dbraw/zinc/11/25/52/361112552.db2.gz QMQARVYDDHMVED-ZYHUDNBSSA-N 1 3 214.353 1.389 20 0 BDADHO CCC[C@H](C[NH2+][C@H](C)C1CNC1)OCC ZINC000629515374 361112556 /nfs/dbraw/zinc/11/25/56/361112556.db2.gz QMQARVYDDHMVED-ZYHUDNBSSA-N 1 3 214.353 1.389 20 0 BDADHO CCO[C@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)C1CC1 ZINC000629516729 361115037 /nfs/dbraw/zinc/11/50/37/361115037.db2.gz OHXPUOZJFRUZRW-NTZNESFSSA-N 1 3 226.364 1.471 20 0 BDADHO CCO[C@H](C[N@H+]1C[C@H](CN)C[C@H]1C)C1CC1 ZINC000629516729 361115040 /nfs/dbraw/zinc/11/50/40/361115040.db2.gz OHXPUOZJFRUZRW-NTZNESFSSA-N 1 3 226.364 1.471 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000622043415 370674110 /nfs/dbraw/zinc/67/41/10/370674110.db2.gz AHLAWZJKVZRAOI-OPRDCNLKSA-N 1 3 218.291 1.891 20 0 BDADHO C[C@@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044544 370677316 /nfs/dbraw/zinc/67/73/16/370677316.db2.gz KAEXDAKXVBWLPA-MMJCSWOSSA-N 1 3 226.364 1.374 20 0 BDADHO CC[C@@H](C(=O)N1CCC([NH3+])CC1)N(CC)CC ZINC000428753105 201041227 /nfs/dbraw/zinc/04/12/27/201041227.db2.gz PIBCHGLJYKXCRX-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO [NH3+]CCCOCCN[C@@H]1CCCc2cccnc21 ZINC000629537940 361402445 /nfs/dbraw/zinc/40/24/45/361402445.db2.gz LVPQKRZSUOYJRL-CYBMUJFWSA-N 1 3 249.358 1.414 20 0 BDADHO C[C@@H](O)CCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000429560503 201115038 /nfs/dbraw/zinc/11/50/38/201115038.db2.gz ZHVXYBQCALZFQP-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H](O)CCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429560503 201115042 /nfs/dbraw/zinc/11/50/42/201115042.db2.gz ZHVXYBQCALZFQP-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H](O)CCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429560503 201115043 /nfs/dbraw/zinc/11/50/43/201115043.db2.gz ZHVXYBQCALZFQP-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629547438 361430404 /nfs/dbraw/zinc/43/04/04/361430404.db2.gz JTXZTLGODVXXIV-XDQVBPFNSA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629547438 361430409 /nfs/dbraw/zinc/43/04/09/361430409.db2.gz JTXZTLGODVXXIV-XDQVBPFNSA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc[nH]c1=O ZINC000629547491 361430464 /nfs/dbraw/zinc/43/04/64/361430464.db2.gz TXXBQVBSUCZVDT-ONGXEEELSA-N 1 3 221.304 1.004 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc[nH]c1=O ZINC000629547488 361430633 /nfs/dbraw/zinc/43/06/33/361430633.db2.gz TXXBQVBSUCZVDT-MWLCHTKSSA-N 1 3 221.304 1.004 20 0 BDADHO COCCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000629554356 361441635 /nfs/dbraw/zinc/44/16/35/361441635.db2.gz ZMCRYUXRLDYJFR-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO CN(CCN[C@@H]1CCCCC[C@@H]1[NH3+])CC(F)F ZINC000629556414 361449920 /nfs/dbraw/zinc/44/99/20/361449920.db2.gz PBMSGHQDXZATIX-WDEREUQCSA-N 1 3 249.349 1.433 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1ccccn1 ZINC000629542316 361418952 /nfs/dbraw/zinc/41/89/52/361418952.db2.gz YEZYBDJQHGCGFJ-NSHDSACASA-N 1 3 223.320 1.098 20 0 BDADHO FCC[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000629580697 361468802 /nfs/dbraw/zinc/46/88/02/361468802.db2.gz DRCLVUXNQXSOAO-CYBMUJFWSA-N 1 3 244.354 1.437 20 0 BDADHO C[C@H]1CCN(CC2=CCCOC2)C[C@@H]1C[NH3+] ZINC000629648565 361540491 /nfs/dbraw/zinc/54/04/91/361540491.db2.gz RBHWPXBGKKKSGC-AAEUAGOBSA-N 1 3 224.348 1.250 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccn(C)c2)C1 ZINC000629652016 361550423 /nfs/dbraw/zinc/55/04/23/361550423.db2.gz SMRINGNBAKYAMF-DGCLKSJQSA-N 1 3 221.348 1.584 20 0 BDADHO Cn1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000629651895 361557128 /nfs/dbraw/zinc/55/71/28/361557128.db2.gz NRVMEMOMTJJVCG-HNNXBMFYSA-N 1 3 247.386 1.989 20 0 BDADHO C1=C(C[NH2+]C[C@@H]2CCCCN2)COCC1 ZINC000379734677 361574521 /nfs/dbraw/zinc/57/45/21/361574521.db2.gz FOQDEMRLYOLPQJ-LBPRGKRZSA-N 1 3 210.321 1.065 20 0 BDADHO N[C@@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723871 361665983 /nfs/dbraw/zinc/66/59/83/361665983.db2.gz SQEIDEYEBWKDED-ZDUSSCGKSA-N 1 3 218.300 1.055 20 0 BDADHO Cc1ccccc1NC(=O)C[C@H](C)NCCC[NH3+] ZINC000437805196 201376721 /nfs/dbraw/zinc/37/67/21/201376721.db2.gz WRAYFNBBZQBSBC-LBPRGKRZSA-N 1 3 249.358 1.651 20 0 BDADHO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN ZINC000437805196 201376723 /nfs/dbraw/zinc/37/67/23/201376723.db2.gz WRAYFNBBZQBSBC-LBPRGKRZSA-N 1 3 249.358 1.651 20 0 BDADHO CCC[C@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608223 364334152 /nfs/dbraw/zinc/33/41/52/364334152.db2.gz WBIVCLKEUPBUSQ-LBPRGKRZSA-N 1 3 245.330 1.526 20 0 BDADHO C[C@@H](O)CC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000167748067 364807217 /nfs/dbraw/zinc/80/72/17/364807217.db2.gz PPZQKVVHIZJQAA-LLVKDONJSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@@H](O)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000167748067 364807219 /nfs/dbraw/zinc/80/72/19/364807219.db2.gz PPZQKVVHIZJQAA-LLVKDONJSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@@H](O)CCNC1CC[NH+](CC2CC2)CC1 ZINC000167740859 364807348 /nfs/dbraw/zinc/80/73/48/364807348.db2.gz AJCZZXZBAJNCMJ-LLVKDONJSA-N 1 3 226.364 1.221 20 0 BDADHO CNCc1ccccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000573723931 364902695 /nfs/dbraw/zinc/90/26/95/364902695.db2.gz HGZOSLYYLOVMKU-ZYHUDNBSSA-N 1 3 247.342 1.343 20 0 BDADHO [NH3+]CCCCNCc1cccc2c1OCO2 ZINC000037715329 181377806 /nfs/dbraw/zinc/37/78/06/181377806.db2.gz AZYOHDSCSHLUJW-UHFFFAOYSA-N 1 3 222.288 1.244 20 0 BDADHO CCC[C@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000574881711 365168321 /nfs/dbraw/zinc/16/83/21/365168321.db2.gz HJDYPOZPRGSLLI-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000574881711 365168324 /nfs/dbraw/zinc/16/83/24/365168324.db2.gz HJDYPOZPRGSLLI-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000574881711 365168329 /nfs/dbraw/zinc/16/83/29/365168329.db2.gz HJDYPOZPRGSLLI-STQMWFEESA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)OC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000575123407 365212640 /nfs/dbraw/zinc/21/26/40/365212640.db2.gz GTRDQFJUWRJVKX-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000575924946 365416632 /nfs/dbraw/zinc/41/66/32/365416632.db2.gz ZVWXPTBVEGDUFQ-LOWVWBTDSA-N 1 3 249.358 1.319 20 0 BDADHO CC[NH+](CC)CCOCCNC1CSC1 ZINC000379949747 541459841 /nfs/dbraw/zinc/45/98/41/541459841.db2.gz SMBCDARYWMNBJX-UHFFFAOYSA-N 1 3 232.393 1.050 20 0 BDADHO C[C@@H](C[NH+](C)C)NCc1cnccc1N(C)C ZINC000581202310 367294374 /nfs/dbraw/zinc/29/43/74/367294374.db2.gz LZSMBRSBKLOZQL-NSHDSACASA-N 1 3 236.363 1.187 20 0 BDADHO C[C@@H](CN(C)C)[NH2+]Cc1cnccc1N(C)C ZINC000581202310 367294382 /nfs/dbraw/zinc/29/43/82/367294382.db2.gz LZSMBRSBKLOZQL-NSHDSACASA-N 1 3 236.363 1.187 20 0 BDADHO C[C@@H](C(=O)Nc1cccc2c1CCNC2)[C@H](C)[NH3+] ZINC000581418799 367461112 /nfs/dbraw/zinc/46/11/12/367461112.db2.gz ZTLRDAWRPHTSSN-ZJUUUORDSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@H](NCCC[NH2+]C1CC1)[C@H]1CCCO1 ZINC000382548458 367535781 /nfs/dbraw/zinc/53/57/81/367535781.db2.gz BJCGSNZKFXMSBH-CMPLNLGQSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]([NH2+]CCCNC1CC1)[C@H]1CCCO1 ZINC000382548458 367535787 /nfs/dbraw/zinc/53/57/87/367535787.db2.gz BJCGSNZKFXMSBH-CMPLNLGQSA-N 1 3 212.337 1.286 20 0 BDADHO CC[C@@H]1[C@H](C)CC[N@@H+]1CCN1CCNCC1 ZINC000384018450 367667712 /nfs/dbraw/zinc/66/77/12/367667712.db2.gz QIVWNQJMKYXPMH-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@@H]1[C@H](C)CC[N@H+]1CCN1CCNCC1 ZINC000384018450 367667714 /nfs/dbraw/zinc/66/77/14/367667714.db2.gz QIVWNQJMKYXPMH-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)[C@H](C)O1 ZINC000384749390 367725933 /nfs/dbraw/zinc/72/59/33/367725933.db2.gz MNIXROADKXUCFV-RHYQMDGZSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2)[C@H](C)O1 ZINC000384749390 367725936 /nfs/dbraw/zinc/72/59/36/367725936.db2.gz MNIXROADKXUCFV-RHYQMDGZSA-N 1 3 212.337 1.142 20 0 BDADHO Cc1cnccc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000385027909 367774023 /nfs/dbraw/zinc/77/40/23/367774023.db2.gz JSUVIYMKACWBCN-KKUMJFAQSA-N 1 3 245.370 1.949 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](C)O1 ZINC000385141593 367801021 /nfs/dbraw/zinc/80/10/21/367801021.db2.gz MCMYBBJUXQJKEO-JRBXHMHVSA-N 1 3 238.375 1.767 20 0 BDADHO C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H](C)O1 ZINC000385141593 367801029 /nfs/dbraw/zinc/80/10/29/367801029.db2.gz MCMYBBJUXQJKEO-JRBXHMHVSA-N 1 3 238.375 1.767 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H](CO)C1)[C@H]1CCCC[NH2+]1 ZINC000385956253 367889870 /nfs/dbraw/zinc/88/98/70/367889870.db2.gz DMIXETXWUMXWIN-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]([NH2+]CCc1ccco1)[C@@H]1CCCCN1 ZINC000386011381 367897798 /nfs/dbraw/zinc/89/77/98/367897798.db2.gz MRFPMACDHJDBBM-YPMHNXCESA-N 1 3 222.332 1.942 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2CO[C@H](C)C2)[C@H](C)C1 ZINC000566216246 326016346 /nfs/dbraw/zinc/01/63/46/326016346.db2.gz XDIOLUBRNQEHKK-NDBYEHHHSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2CO[C@H](C)C2)[C@H](C)C1 ZINC000566216246 326016348 /nfs/dbraw/zinc/01/63/48/326016348.db2.gz XDIOLUBRNQEHKK-NDBYEHHHSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@H](O)C1)[C@H]1CCCC[NH2+]1 ZINC000386446007 367974524 /nfs/dbraw/zinc/97/45/24/367974524.db2.gz NJMXNJXKCAJSPR-QNWHQSFQSA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)N(C)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386620914 368003580 /nfs/dbraw/zinc/00/35/80/368003580.db2.gz YEGPHOPVBTWZRV-OLZOCXBDSA-N 1 3 227.396 1.447 20 0 BDADHO C[C@H](NCC(C)(C)CCCO)[C@H]1CCCC[NH2+]1 ZINC000386518712 367984321 /nfs/dbraw/zinc/98/43/21/367984321.db2.gz YJKHEHMIZJQKHD-QWHCGFSZSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000252775086 368061514 /nfs/dbraw/zinc/06/15/14/368061514.db2.gz JYTSSSUCOZXTHI-WRWGMCAJSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC000252789154 368062894 /nfs/dbraw/zinc/06/28/94/368062894.db2.gz RKIAOQOSBHUMED-QJPTWQEYSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H](c1cnccn1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386696301 368011003 /nfs/dbraw/zinc/01/10/03/368011003.db2.gz OXVGPGCPZNJILJ-RWMBFGLXSA-N 1 3 246.358 1.469 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H]1CCCNC1 ZINC000581997171 368098435 /nfs/dbraw/zinc/09/84/35/368098435.db2.gz FNXQXMHGRHYGOA-MRTXSQPYSA-N 1 3 238.375 1.532 20 0 BDADHO CN1CCC(O)(C[NH2+]C2CCCCC2)CC1 ZINC000059161761 368530061 /nfs/dbraw/zinc/53/00/61/368530061.db2.gz QGAVNMNPPIWKSK-UHFFFAOYSA-N 1 3 226.364 1.365 20 0 BDADHO CCN(CC)CC(=O)NCCC[N@H+](C)C(C)C ZINC000063737995 368595890 /nfs/dbraw/zinc/59/58/90/368595890.db2.gz AKFWCIKETFVARC-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCN(CC)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000063737995 368595896 /nfs/dbraw/zinc/59/58/96/368595896.db2.gz AKFWCIKETFVARC-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@](C)(O)C1 ZINC000154412068 326143118 /nfs/dbraw/zinc/14/31/18/326143118.db2.gz GOHGRIBFTPUJTC-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@](C)(O)C1 ZINC000154412068 326143120 /nfs/dbraw/zinc/14/31/20/326143120.db2.gz GOHGRIBFTPUJTC-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOC2CCCC2)C1 ZINC000086404271 368881372 /nfs/dbraw/zinc/88/13/72/368881372.db2.gz BZYOZARDSSUSDY-NEPJUHHUSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821748 368974583 /nfs/dbraw/zinc/97/45/83/368974583.db2.gz HYNWUVIMRGDYNC-RVMXOQNASA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631821748 368974589 /nfs/dbraw/zinc/97/45/89/368974589.db2.gz HYNWUVIMRGDYNC-RVMXOQNASA-N 1 3 226.364 1.471 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000623657116 368997905 /nfs/dbraw/zinc/99/79/05/368997905.db2.gz KBCYJHZTEHMYSH-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO C[C@H]([NH3+])CCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000404893379 369438493 /nfs/dbraw/zinc/43/84/93/369438493.db2.gz RVWRELNQMQWJEP-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO C=Cn1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459730622 203344481 /nfs/dbraw/zinc/34/44/81/203344481.db2.gz DYTGEEMTWZGEBY-ZDUSSCGKSA-N 1 3 248.374 1.805 20 0 BDADHO C=Cn1cc(CNCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459730622 203344485 /nfs/dbraw/zinc/34/44/85/203344485.db2.gz DYTGEEMTWZGEBY-ZDUSSCGKSA-N 1 3 248.374 1.805 20 0 BDADHO CCC(C)(C)CCN1CCC([NH2+]CCO)CC1 ZINC000631862509 369544980 /nfs/dbraw/zinc/54/49/80/369544980.db2.gz QGEDLRZWVABEJP-UHFFFAOYSA-N 1 3 242.407 1.859 20 0 BDADHO CCn1nccc1CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000621774928 370521466 /nfs/dbraw/zinc/52/14/66/370521466.db2.gz AKXITLUIAXCIIR-RYUDHWBXSA-N 1 3 236.363 1.115 20 0 BDADHO CC[N@@H+]1CC[C@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631044814 371029886 /nfs/dbraw/zinc/02/98/86/371029886.db2.gz OAYWXXHDEJXCDH-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO CC[N@H+]1CC[C@H](CNCc2ccc(=O)[nH]c2)C1 ZINC000631044814 371029889 /nfs/dbraw/zinc/02/98/89/371029889.db2.gz OAYWXXHDEJXCDH-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO CCN1CC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000631044814 371029894 /nfs/dbraw/zinc/02/98/94/371029894.db2.gz OAYWXXHDEJXCDH-GFCCVEGCSA-N 1 3 235.331 1.219 20 0 BDADHO CN1CC[C@H]([NH2+]Cc2ccc[nH]c2=O)CC1(C)C ZINC000623777513 371088762 /nfs/dbraw/zinc/08/87/62/371088762.db2.gz IHLFSERNPKCFMJ-LBPRGKRZSA-N 1 3 249.358 1.750 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCCO1 ZINC000623928210 371159221 /nfs/dbraw/zinc/15/92/21/371159221.db2.gz HYZDGAVUUMICPG-JSGCOSHPSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@H](CCCCO)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122163 371322890 /nfs/dbraw/zinc/32/28/90/371322890.db2.gz LIXDBDKMRTXLPI-KGLIPLIRSA-N 1 3 242.407 1.859 20 0 BDADHO CCOC1CC([NH2+]C[C@H]2CCCCN(C)C2)C1 ZINC000624122055 371323053 /nfs/dbraw/zinc/32/30/53/371323053.db2.gz ITQRXHGHDOQJCH-IYXRBSQSSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+]1CCCC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000624124139 371324623 /nfs/dbraw/zinc/32/46/23/371324623.db2.gz YHYMGVRBLXJBCG-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CCCC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000624124139 371324629 /nfs/dbraw/zinc/32/46/29/371324629.db2.gz YHYMGVRBLXJBCG-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000226670266 371719307 /nfs/dbraw/zinc/71/93/07/371719307.db2.gz SSCOMXVEGUVBQE-MXWKQRLJSA-N 1 3 214.378 1.422 20 0 BDADHO C[C@@H](CNCc1ccc(=O)[nH]c1)C[NH+](C)C ZINC000631139934 372207184 /nfs/dbraw/zinc/20/71/84/372207184.db2.gz MBJGMSZIHSTKTA-JTQLQIEISA-N 1 3 223.320 1.075 20 0 BDADHO C[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)CN(C)C ZINC000631139934 372207188 /nfs/dbraw/zinc/20/71/88/372207188.db2.gz MBJGMSZIHSTKTA-JTQLQIEISA-N 1 3 223.320 1.075 20 0 BDADHO C[C@H]1OCC[C@@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822584 372599108 /nfs/dbraw/zinc/59/91/08/372599108.db2.gz IOBZWEQGVQWDTH-LSGALXMHSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829639 372611810 /nfs/dbraw/zinc/61/18/10/372611810.db2.gz WNSIVSKVZWOFPN-XUXIUFHCSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000631829639 372611816 /nfs/dbraw/zinc/61/18/16/372611816.db2.gz WNSIVSKVZWOFPN-XUXIUFHCSA-N 1 3 238.375 1.472 20 0 BDADHO C[C@@H]1CN(CCN(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000631838481 372631873 /nfs/dbraw/zinc/63/18/73/372631873.db2.gz PEGJWRQYMYLUDF-ZIAGYGMSSA-N 1 3 247.386 1.649 20 0 BDADHO C[C@@H]1C[N@H+](CCN(C)c2ccccc2)C[C@H]1CN ZINC000631838481 372631881 /nfs/dbraw/zinc/63/18/81/372631881.db2.gz PEGJWRQYMYLUDF-ZIAGYGMSSA-N 1 3 247.386 1.649 20 0 BDADHO C[C@@H]1C[N@@H+](CCN(C)c2ccccc2)C[C@H]1CN ZINC000631838481 372631890 /nfs/dbraw/zinc/63/18/90/372631890.db2.gz PEGJWRQYMYLUDF-ZIAGYGMSSA-N 1 3 247.386 1.649 20 0 BDADHO C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000424381367 206040239 /nfs/dbraw/zinc/04/02/39/206040239.db2.gz QSESBEREOPLHAC-LBELIVKGSA-N 1 3 208.349 1.905 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC(C)(C)COC)C1 ZINC000426418753 206049626 /nfs/dbraw/zinc/04/96/26/206049626.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000426418753 206049631 /nfs/dbraw/zinc/04/96/31/206049631.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 1 3 242.407 1.933 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC(C)(C)COC)C1 ZINC000426418753 206049634 /nfs/dbraw/zinc/04/96/34/206049634.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 1 3 242.407 1.933 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC(C)(C)COC)C1 ZINC000426418753 206049638 /nfs/dbraw/zinc/04/96/38/206049638.db2.gz YBECIZMCHGXEQT-CYBMUJFWSA-N 1 3 242.407 1.933 20 0 BDADHO OCC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000101231393 183040449 /nfs/dbraw/zinc/04/04/49/183040449.db2.gz KXGCQLGKOGLPHJ-UHFFFAOYSA-N 1 3 240.391 1.567 20 0 BDADHO CCCC[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037619412 169006805 /nfs/dbraw/zinc/00/68/05/169006805.db2.gz YREHSSIPYWROMB-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509718 183137972 /nfs/dbraw/zinc/13/79/72/183137972.db2.gz LGPJJDNBJVIJSP-MJBXVCDLSA-N 1 3 238.375 1.221 20 0 BDADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000353509718 183137974 /nfs/dbraw/zinc/13/79/74/183137974.db2.gz LGPJJDNBJVIJSP-MJBXVCDLSA-N 1 3 238.375 1.221 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336720568 169077366 /nfs/dbraw/zinc/07/73/66/169077366.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)C(C)C)C1 ZINC000336720568 169077367 /nfs/dbraw/zinc/07/73/67/169077367.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](O)C(C)C)C1 ZINC000336720568 169077368 /nfs/dbraw/zinc/07/73/68/169077368.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000336720568 169077369 /nfs/dbraw/zinc/07/73/69/169077369.db2.gz WYXGAVJSYUHIFG-KBPBESRZSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336707415 169079047 /nfs/dbraw/zinc/07/90/47/169079047.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336707415 169079049 /nfs/dbraw/zinc/07/90/49/169079049.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336707415 169079050 /nfs/dbraw/zinc/07/90/50/169079050.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336707415 169079052 /nfs/dbraw/zinc/07/90/52/169079052.db2.gz ORXNESXIJPMFSR-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[NH+]1CCC(NCCc2cnccn2)CC1 ZINC000341901930 169188648 /nfs/dbraw/zinc/18/86/48/169188648.db2.gz ZTPTVVQSIPMYME-UHFFFAOYSA-N 1 3 248.374 1.483 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCO[C@H]2C)CC1 ZINC000119911763 169190234 /nfs/dbraw/zinc/19/02/34/169190234.db2.gz LVSWQVNTDGQRBU-AAEUAGOBSA-N 1 3 226.364 1.628 20 0 BDADHO CCCN1CCC[C@H]1C[NH2+]C1CCN(C)CC1 ZINC000353138988 169199934 /nfs/dbraw/zinc/19/99/34/169199934.db2.gz NJMPMRPSESQCKJ-AWEZNQCLSA-N 1 3 239.407 1.545 20 0 BDADHO c1cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022866 183338446 /nfs/dbraw/zinc/33/84/46/183338446.db2.gz ZBIOELPCFAJBEO-LSDHHAIUSA-N 1 3 245.370 1.841 20 0 BDADHO c1cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022866 183338448 /nfs/dbraw/zinc/33/84/48/183338448.db2.gz ZBIOELPCFAJBEO-LSDHHAIUSA-N 1 3 245.370 1.841 20 0 BDADHO c1cc(CN2CCC3(C2)CC[NH2+]CC3)ccn1 ZINC000082546186 183340195 /nfs/dbraw/zinc/34/01/95/183340195.db2.gz SCFBGRNGKAKEBB-UHFFFAOYSA-N 1 3 231.343 1.657 20 0 BDADHO c1ccc(CCCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107580109 183392353 /nfs/dbraw/zinc/39/23/53/183392353.db2.gz BSHIDQXRMQJSCA-HUUCEWRRSA-N 1 3 230.355 1.770 20 0 BDADHO c1ccc(CCN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000031994564 183393803 /nfs/dbraw/zinc/39/38/03/183393803.db2.gz CCUYKVBNXWUEKF-HNNXBMFYSA-N 1 3 230.355 1.915 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000222534979 134332962 /nfs/dbraw/zinc/33/29/62/134332962.db2.gz BFEBXNJHRLCPOD-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO O[C@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000252733222 383823578 /nfs/dbraw/zinc/82/35/78/383823578.db2.gz YKQGSUPOBNAGAZ-YIYPIFLZSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252733222 383823584 /nfs/dbraw/zinc/82/35/84/383823584.db2.gz YKQGSUPOBNAGAZ-YIYPIFLZSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252733222 383823589 /nfs/dbraw/zinc/82/35/89/383823589.db2.gz YKQGSUPOBNAGAZ-YIYPIFLZSA-N 1 3 238.375 1.506 20 0 BDADHO CO[C@H](CNC[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177316 383824928 /nfs/dbraw/zinc/82/49/28/383824928.db2.gz PRDQSMFVPOPECY-GXTWGEPZSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@H](CNC[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177316 383824935 /nfs/dbraw/zinc/82/49/35/383824935.db2.gz PRDQSMFVPOPECY-GXTWGEPZSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@H](C[NH2+]C[C@@H]1CCN(C(C)C)C1)C1CC1 ZINC000400177316 383824942 /nfs/dbraw/zinc/82/49/42/383824942.db2.gz PRDQSMFVPOPECY-GXTWGEPZSA-N 1 3 240.391 1.731 20 0 BDADHO CN(C)CCN(C)CCC[N@H+](C)CC1(C)CC1 ZINC000569392571 383984579 /nfs/dbraw/zinc/98/45/79/383984579.db2.gz QCLFZMMJUCQDJM-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO CN(C)CCN(C)CCC[N@@H+](C)CC1(C)CC1 ZINC000569392571 383984581 /nfs/dbraw/zinc/98/45/81/383984581.db2.gz QCLFZMMJUCQDJM-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO CN(C)C[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000113516223 383989596 /nfs/dbraw/zinc/98/95/96/383989596.db2.gz ILLCNTRIUGNEGI-CQSZACIVSA-N 1 3 248.370 1.949 20 0 BDADHO CN(C)C[C@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000113516223 383989607 /nfs/dbraw/zinc/98/96/07/383989607.db2.gz ILLCNTRIUGNEGI-CQSZACIVSA-N 1 3 248.370 1.949 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@H](OC)C2CC2)C1 ZINC000400233465 383944446 /nfs/dbraw/zinc/94/44/46/383944446.db2.gz SXLRCJADUIIUPS-DGCLKSJQSA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@@H+]1CC[C@H](CNC[C@@H](OC)C2CC2)C1 ZINC000400233465 383944450 /nfs/dbraw/zinc/94/44/50/383944450.db2.gz SXLRCJADUIIUPS-DGCLKSJQSA-N 1 3 226.364 1.343 20 0 BDADHO CC[N@H+]1CC[C@H](CNC[C@@H](OC)C2CC2)C1 ZINC000400233465 383944453 /nfs/dbraw/zinc/94/44/53/383944453.db2.gz SXLRCJADUIIUPS-DGCLKSJQSA-N 1 3 226.364 1.343 20 0 BDADHO CCC[C@@H](C)N1CCC([N@H+](C)CCCO)CC1 ZINC000187691051 383969613 /nfs/dbraw/zinc/96/96/13/383969613.db2.gz DILLHJIDAGKYMU-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@@H](C)N1CCC([N@@H+](C)CCCO)CC1 ZINC000187691051 383969622 /nfs/dbraw/zinc/96/96/22/383969622.db2.gz DILLHJIDAGKYMU-CYBMUJFWSA-N 1 3 242.407 1.954 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC2(O)CCCC2)CC1 ZINC000336514470 384045295 /nfs/dbraw/zinc/04/52/95/384045295.db2.gz JXNKRKFQCWWNAW-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC2(O)CCCC2)CC1 ZINC000336514470 384045303 /nfs/dbraw/zinc/04/53/03/384045303.db2.gz JXNKRKFQCWWNAW-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CC2(O)CCCC2)CC1 ZINC000336514470 384045307 /nfs/dbraw/zinc/04/53/07/384045307.db2.gz JXNKRKFQCWWNAW-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2ccno2)CC1 ZINC000082475038 384231498 /nfs/dbraw/zinc/23/14/98/384231498.db2.gz ICUULSSGUKNGKR-VIFPVBQESA-N 1 3 209.293 1.234 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000357851198 384213823 /nfs/dbraw/zinc/21/38/23/384213823.db2.gz NNSXPMXQPHVHAV-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357851198 384213836 /nfs/dbraw/zinc/21/38/36/384213836.db2.gz NNSXPMXQPHVHAV-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO Cn1ccc(CNC2CCC([NH+](C)C)CC2)n1 ZINC000560546803 384214173 /nfs/dbraw/zinc/21/41/73/384214173.db2.gz WXBDDAJYKHEHGN-UHFFFAOYSA-N 1 3 236.363 1.383 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000227921473 134399662 /nfs/dbraw/zinc/39/96/62/134399662.db2.gz PCRZBOLIOBUEMB-VXGBXAGGSA-N 1 3 228.380 1.502 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000227919301 134399964 /nfs/dbraw/zinc/39/99/64/134399964.db2.gz VLVBEXKFOLTPPI-OLZOCXBDSA-N 1 3 242.407 1.892 20 0 BDADHO CCC[C@@H](C)CN1CCCO[C@H](C[NH3+])C1 ZINC000313340155 384270455 /nfs/dbraw/zinc/27/04/55/384270455.db2.gz LPYMHHAPDHKGQF-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)CN1CCCCC1 ZINC000401915110 384279503 /nfs/dbraw/zinc/27/95/03/384279503.db2.gz AMNXAVXPFSBFDP-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@H]1CO[C@H](C)C1)C[NH+]1CCCCC1 ZINC000401915110 384279508 /nfs/dbraw/zinc/27/95/08/384279508.db2.gz AMNXAVXPFSBFDP-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000402943729 384281951 /nfs/dbraw/zinc/28/19/51/384281951.db2.gz NXRNJNKXZXYOLY-RFGFWPKPSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000402943729 384281957 /nfs/dbraw/zinc/28/19/57/384281957.db2.gz NXRNJNKXZXYOLY-RFGFWPKPSA-N 1 3 238.375 1.615 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@@H](C)C2)C1 ZINC000647175054 384471062 /nfs/dbraw/zinc/47/10/62/384471062.db2.gz VULXZARSXZTNAU-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CO[C@@H](C)C2)C1 ZINC000647175054 384471068 /nfs/dbraw/zinc/47/10/68/384471068.db2.gz VULXZARSXZTNAU-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000647175054 384471075 /nfs/dbraw/zinc/47/10/75/384471075.db2.gz VULXZARSXZTNAU-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000647179660 384531857 /nfs/dbraw/zinc/53/18/57/384531857.db2.gz KCGNELDTOIMMPQ-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647179660 384531860 /nfs/dbraw/zinc/53/18/60/384531860.db2.gz KCGNELDTOIMMPQ-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CO[C@H](C)C2)C1 ZINC000647179660 384531865 /nfs/dbraw/zinc/53/18/65/384531865.db2.gz KCGNELDTOIMMPQ-MGPQQGTHSA-N 1 3 240.391 1.874 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000151143368 384543106 /nfs/dbraw/zinc/54/31/06/384543106.db2.gz YGXYBQFRVCBFAV-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](COC)C2CC2)C1 ZINC000151143368 384543116 /nfs/dbraw/zinc/54/31/16/384543116.db2.gz YGXYBQFRVCBFAV-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@@H](COC)C2CC2)C1 ZINC000151143368 384543127 /nfs/dbraw/zinc/54/31/27/384543127.db2.gz YGXYBQFRVCBFAV-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CC[NH2+]CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000561182824 384547701 /nfs/dbraw/zinc/54/77/01/384547701.db2.gz UGMRQQMCDHUPTE-CYBMUJFWSA-N 1 3 249.358 1.192 20 0 BDADHO COC[C@@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000123724299 384580161 /nfs/dbraw/zinc/58/01/61/384580161.db2.gz ANHUKBAJSMKGDS-GFCCVEGCSA-N 1 3 236.359 1.873 20 0 BDADHO COC[C@@H](C)NCc1cccc(C[NH+](C)C)c1 ZINC000123724299 384580168 /nfs/dbraw/zinc/58/01/68/384580168.db2.gz ANHUKBAJSMKGDS-GFCCVEGCSA-N 1 3 236.359 1.873 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000171594684 384609670 /nfs/dbraw/zinc/60/96/70/384609670.db2.gz JHMDXFKPOHALEN-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CC(C)C[C@H](C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000300837281 384597397 /nfs/dbraw/zinc/59/73/97/384597397.db2.gz CTLKADREZREWTE-YNEHKIRRSA-N 1 3 210.365 1.820 20 0 BDADHO CC[C@H](COC)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000086404412 384645685 /nfs/dbraw/zinc/64/56/85/384645685.db2.gz OJDOEFKKROWIHP-AXFHLTTASA-N 1 3 200.326 1.271 20 0 BDADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cnccn1 ZINC000125360333 384710165 /nfs/dbraw/zinc/71/01/65/384710165.db2.gz GFFKTDDMDQOXFG-GFCCVEGCSA-N 1 3 248.374 1.859 20 0 BDADHO COC[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000234714217 384750204 /nfs/dbraw/zinc/75/02/04/384750204.db2.gz XGIVGZHYCHZQTP-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)ncn2C ZINC000647552260 384756797 /nfs/dbraw/zinc/75/67/97/384756797.db2.gz NUDLTIWKZDTFDM-MNOVXSKESA-N 1 3 246.358 1.789 20 0 BDADHO Cc1nc2ccccn2c1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000518185872 384780405 /nfs/dbraw/zinc/78/04/05/384780405.db2.gz URQLVXULYGDVHE-GHMZBOCLSA-N 1 3 246.358 1.858 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCNC12CCCC2 ZINC000647553669 384769311 /nfs/dbraw/zinc/76/93/11/384769311.db2.gz GQUJKXPNVNAOBV-UTUOFQBUSA-N 1 3 208.349 1.907 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN(C)C)C1(C)C ZINC000310100024 384833351 /nfs/dbraw/zinc/83/33/51/384833351.db2.gz BBLJPVKBPHAGGU-RWMBFGLXSA-N 1 3 242.407 1.977 20 0 BDADHO C[C@H]1NCCC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335644681 384807525 /nfs/dbraw/zinc/80/75/25/384807525.db2.gz XHNNNMJTVOQMFI-RISCZKNCSA-N 1 3 237.391 1.343 20 0 BDADHO C[NH+]1CCC(CCNCc2cccnc2)CC1 ZINC000105454793 384869194 /nfs/dbraw/zinc/86/91/94/384869194.db2.gz YZNDVTFWGMYWMZ-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO CCOCCN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175726745 384951643 /nfs/dbraw/zinc/95/16/43/384951643.db2.gz HNOYXUSXEGZNQP-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CCOCCN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000175726745 384951648 /nfs/dbraw/zinc/95/16/48/384951648.db2.gz HNOYXUSXEGZNQP-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO COc1ccccc1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000259075233 384953266 /nfs/dbraw/zinc/95/32/66/384953266.db2.gz QVHVCDKKPGGMCN-OLZOCXBDSA-N 1 3 234.343 1.707 20 0 BDADHO CCCC[NH+]1CCC(NC[C@H](O)CC)CC1 ZINC000644557045 384957935 /nfs/dbraw/zinc/95/79/35/384957935.db2.gz XJBOMCOLFCZMMU-CYBMUJFWSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H]1C[C@@H](NCC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202332 384903620 /nfs/dbraw/zinc/90/36/20/384903620.db2.gz UTJPLJWCMZFPRH-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000518360348 384978338 /nfs/dbraw/zinc/97/83/38/384978338.db2.gz VOTNWWAODCMYJH-UONOGXRCSA-N 1 3 240.391 1.910 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOCC1CCC1 ZINC000518360348 384978346 /nfs/dbraw/zinc/97/83/46/384978346.db2.gz VOTNWWAODCMYJH-UONOGXRCSA-N 1 3 240.391 1.910 20 0 BDADHO CC[NH+]1CCC(CNCc2ccns2)CC1 ZINC000404412382 384981429 /nfs/dbraw/zinc/98/14/29/384981429.db2.gz AHHQNQIKLJXKJK-UHFFFAOYSA-N 1 3 239.388 1.965 20 0 BDADHO C([C@H]1CCOC1)[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226435462 385019844 /nfs/dbraw/zinc/01/98/44/385019844.db2.gz ZFNONOWLHVGJMS-CHWSQXEVSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@H]1CCOC1)[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000226435462 385019848 /nfs/dbraw/zinc/01/98/48/385019848.db2.gz ZFNONOWLHVGJMS-CHWSQXEVSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@H]1CCOC1)N(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226435462 385019853 /nfs/dbraw/zinc/01/98/53/385019853.db2.gz ZFNONOWLHVGJMS-CHWSQXEVSA-N 1 3 238.375 1.487 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@@H](N)CC(C)C)[C@H](C)C1 ZINC000300930199 385055906 /nfs/dbraw/zinc/05/59/06/385055906.db2.gz QXAYOJNPSRTURZ-FRRDWIJNSA-N 1 3 228.380 1.859 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@@H](N)CC(C)C)[C@H](C)C1 ZINC000300930199 385055910 /nfs/dbraw/zinc/05/59/10/385055910.db2.gz QXAYOJNPSRTURZ-FRRDWIJNSA-N 1 3 228.380 1.859 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1cccnc1 ZINC000404779040 385056230 /nfs/dbraw/zinc/05/62/30/385056230.db2.gz MMTLHIAGJGTHDP-NEPJUHHUSA-N 1 3 219.332 1.340 20 0 BDADHO C(CNC1CC1)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000423552368 385027798 /nfs/dbraw/zinc/02/77/98/385027798.db2.gz JSQRDBIZBGAGNW-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCSC)C1 ZINC000177839574 385124948 /nfs/dbraw/zinc/12/49/48/385124948.db2.gz YJWQPNOSRWDJHO-LLVKDONJSA-N 1 3 216.394 1.623 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCSC)C1 ZINC000177839574 385124957 /nfs/dbraw/zinc/12/49/57/385124957.db2.gz YJWQPNOSRWDJHO-LLVKDONJSA-N 1 3 216.394 1.623 20 0 BDADHO CC(C)COCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404836792 385095739 /nfs/dbraw/zinc/09/57/39/385095739.db2.gz AKQMSWIUAOJLRI-WDEREUQCSA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)COCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000404836792 385095745 /nfs/dbraw/zinc/09/57/45/385095745.db2.gz AKQMSWIUAOJLRI-WDEREUQCSA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)OCCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404837643 385096907 /nfs/dbraw/zinc/09/69/07/385096907.db2.gz APWGEORPXGEIEA-MNOVXSKESA-N 1 3 214.353 1.517 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1N ZINC000422721405 385201799 /nfs/dbraw/zinc/20/17/99/385201799.db2.gz VHVQBAKZFMANTR-SDDRHHMPSA-N 1 3 213.369 1.186 20 0 BDADHO OC1(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000342810208 385167850 /nfs/dbraw/zinc/16/78/50/385167850.db2.gz PGYOZXJGQZOJOC-STQMWFEESA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000342810208 385167856 /nfs/dbraw/zinc/16/78/56/385167856.db2.gz PGYOZXJGQZOJOC-STQMWFEESA-N 1 3 238.375 1.508 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)NCCC[NH+](CC)CC ZINC000019478870 385208181 /nfs/dbraw/zinc/20/81/81/385208181.db2.gz DYKBKXPSEYKRHW-VXGBXAGGSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076330 385234801 /nfs/dbraw/zinc/23/48/01/385234801.db2.gz ZKIVUGSNIMPRNC-RNCFNFMXSA-N 1 3 245.326 1.226 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1O ZINC000323439700 385251604 /nfs/dbraw/zinc/25/16/04/385251604.db2.gz RUHMOQDRRYRKSS-XJFOESAGSA-N 1 3 240.391 1.800 20 0 BDADHO OCCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157903084 385303999 /nfs/dbraw/zinc/30/39/99/385303999.db2.gz QXHPLKBNBOBDOP-QWHCGFSZSA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157903084 385304006 /nfs/dbraw/zinc/30/40/06/385304006.db2.gz QXHPLKBNBOBDOP-QWHCGFSZSA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000157903084 385304008 /nfs/dbraw/zinc/30/40/08/385304008.db2.gz QXHPLKBNBOBDOP-QWHCGFSZSA-N 1 3 226.364 1.365 20 0 BDADHO CN1CC=C(C[NH2+]C2CCOCC2)CC1 ZINC000308967029 385318433 /nfs/dbraw/zinc/31/84/33/385318433.db2.gz WLMXRNGSHQJVQU-UHFFFAOYSA-N 1 3 210.321 1.017 20 0 BDADHO Cc1cncc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000299932448 385328307 /nfs/dbraw/zinc/32/83/07/385328307.db2.gz YHTRSBVMKSCJRN-ZNMIVQPWSA-N 1 3 245.370 1.949 20 0 BDADHO CC[C@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000168987365 385398658 /nfs/dbraw/zinc/39/86/58/385398658.db2.gz GLCSOLLWJFDPDN-QWRGUYRKSA-N 1 3 243.395 1.206 20 0 BDADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1ccccc1 ZINC000405285602 385453495 /nfs/dbraw/zinc/45/34/95/385453495.db2.gz FXDBFMNTBHJGAP-STQMWFEESA-N 1 3 234.343 1.781 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000309401457 385571861 /nfs/dbraw/zinc/57/18/61/385571861.db2.gz VHTCLKJASIZGTP-GHMZBOCLSA-N 1 3 224.323 1.941 20 0 BDADHO C[C@@H](CN)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000235125609 259671349 /nfs/dbraw/zinc/67/13/49/259671349.db2.gz KQRNOLIKIDGFED-ZDUSSCGKSA-N 1 3 247.386 1.588 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)[C@H]1C ZINC000309509190 385644150 /nfs/dbraw/zinc/64/41/50/385644150.db2.gz WTUGMAIZUCCEPY-GRYCIOLGSA-N 1 3 226.364 1.077 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CCSC2)CC1 ZINC000307455228 385689489 /nfs/dbraw/zinc/68/94/89/385689489.db2.gz CGLLFSHMEZGDSO-NSHDSACASA-N 1 3 212.362 1.343 20 0 BDADHO C[C@H](CC1CCOCC1)N[C@H]1CCC[NH2+]C1 ZINC000414858984 385734516 /nfs/dbraw/zinc/73/45/16/385734516.db2.gz AEKRGUPVJVTENX-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCc2c(cccc2OC)C1 ZINC000414863561 385757673 /nfs/dbraw/zinc/75/76/73/385757673.db2.gz XLHHQPXIJUTLIM-CYBMUJFWSA-N 1 3 248.370 1.752 20 0 BDADHO CNCCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000414863561 385757682 /nfs/dbraw/zinc/75/76/82/385757682.db2.gz XLHHQPXIJUTLIM-CYBMUJFWSA-N 1 3 248.370 1.752 20 0 BDADHO CCC[NH2+]CCNC[C@H]1CCO[C@H](CC)C1 ZINC000414865481 385768622 /nfs/dbraw/zinc/76/86/22/385768622.db2.gz FPLIRUOBICVXJD-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](CCO)C(C)C ZINC000309666604 385780775 /nfs/dbraw/zinc/78/07/75/385780775.db2.gz ULGKZKYDEVAAEC-CYBMUJFWSA-N 1 3 230.396 1.715 20 0 BDADHO Cc1nccn1CCN1CC[C@H](C[NH+](C)C)C1 ZINC000161856318 385781333 /nfs/dbraw/zinc/78/13/33/385781333.db2.gz TXLZBHXLTYGYMI-CYBMUJFWSA-N 1 3 236.363 1.075 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000161856318 385781335 /nfs/dbraw/zinc/78/13/35/385781335.db2.gz TXLZBHXLTYGYMI-CYBMUJFWSA-N 1 3 236.363 1.075 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000161856318 385781342 /nfs/dbraw/zinc/78/13/42/385781342.db2.gz TXLZBHXLTYGYMI-CYBMUJFWSA-N 1 3 236.363 1.075 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414946689 385809186 /nfs/dbraw/zinc/80/91/86/385809186.db2.gz JTHCPTBZMNYKIP-YRGRVCCFSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414946687 385809617 /nfs/dbraw/zinc/80/96/17/385809617.db2.gz JTHCPTBZMNYKIP-DYEKYZERSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)CN(C)C ZINC000336714748 385811996 /nfs/dbraw/zinc/81/19/96/385811996.db2.gz WEBKYTOZJAVIGZ-UTUOFQBUSA-N 1 3 214.353 1.341 20 0 BDADHO CC[C@@H](CN1CC[C@H](C[NH+](C)C)C1)OC ZINC000412977981 385825028 /nfs/dbraw/zinc/82/50/28/385825028.db2.gz OLRSFUNAKCPWSH-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C)C[NH3+] ZINC000262022673 385835239 /nfs/dbraw/zinc/83/52/39/385835239.db2.gz AOJALJOQXZBHEM-LLVKDONJSA-N 1 3 249.358 1.590 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(Cc2ccno2)C1 ZINC000069724361 385854677 /nfs/dbraw/zinc/85/46/77/385854677.db2.gz VELXWNTYAXMGLO-JTQLQIEISA-N 1 3 209.293 1.235 20 0 BDADHO [NH3+]C1(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCC1 ZINC000414874647 385886664 /nfs/dbraw/zinc/88/66/64/385886664.db2.gz IRGAAONMTRSFRC-IJLUTSLNSA-N 1 3 236.359 1.415 20 0 BDADHO CCOCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647815074 385869631 /nfs/dbraw/zinc/86/96/31/385869631.db2.gz OAQVMGVBTJNQKZ-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]C[C@H](C)CN)n1 ZINC000414874194 385881280 /nfs/dbraw/zinc/88/12/80/385881280.db2.gz IMUCDMZQNZVDHO-MNOVXSKESA-N 1 3 237.347 1.206 20 0 BDADHO COc1cccc(C[C@H](C)NC[C@H](C)C[NH3+])n1 ZINC000414874194 385881285 /nfs/dbraw/zinc/88/12/85/385881285.db2.gz IMUCDMZQNZVDHO-MNOVXSKESA-N 1 3 237.347 1.206 20 0 BDADHO c1ccc2c(c1)CNCCN2C[C@@H]1CC[NH2+]C1 ZINC000647833306 385883474 /nfs/dbraw/zinc/88/34/74/385883474.db2.gz DPBZIUSKNSZFCC-GFCCVEGCSA-N 1 3 231.343 1.206 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NC1CC(C(F)(F)F)C1 ZINC000335018955 385978843 /nfs/dbraw/zinc/97/88/43/385978843.db2.gz XYKURWZWBFPYOB-AUXWQGHOSA-N 1 3 236.281 1.915 20 0 BDADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000336747597 385978994 /nfs/dbraw/zinc/97/89/94/385978994.db2.gz XHTPYBABTDQWEA-LBPRGKRZSA-N 1 3 226.364 1.221 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000338304731 385952266 /nfs/dbraw/zinc/95/22/66/385952266.db2.gz HKSZJMHPXDWCAF-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000338304731 385952271 /nfs/dbraw/zinc/95/22/71/385952271.db2.gz HKSZJMHPXDWCAF-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CCNC1 ZINC000414880170 385960435 /nfs/dbraw/zinc/96/04/35/385960435.db2.gz JRCJUDLIBVHHEI-YUMQZZPRSA-N 1 3 210.243 1.669 20 0 BDADHO C[NH+](C)CCCN[C@@H]1CCc2ccccc2OC1 ZINC000338326820 385960447 /nfs/dbraw/zinc/96/04/47/385960447.db2.gz UHXBKWQCJLMMOL-CQSZACIVSA-N 1 3 248.370 1.922 20 0 BDADHO CO[C@@H](C[NH+]1CCC(N(C)C)CC1)C1CC1 ZINC000425408038 385970060 /nfs/dbraw/zinc/97/00/60/385970060.db2.gz QSKFSXPXRYMOAP-ZDUSSCGKSA-N 1 3 226.364 1.437 20 0 BDADHO C[C@H](CC[NH3+])NCc1ccc(-n2cncn2)cc1 ZINC000414881819 386005809 /nfs/dbraw/zinc/00/58/09/386005809.db2.gz LEZXLBUPUYPBBN-LLVKDONJSA-N 1 3 245.330 1.094 20 0 BDADHO CCc1cc(OC)ccc1CNC[C@H](C)C[NH3+] ZINC000414882316 386010763 /nfs/dbraw/zinc/01/07/63/386010763.db2.gz UATNSJAGNBFWBI-LLVKDONJSA-N 1 3 236.359 1.942 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)CN(C)C ZINC000309731392 386025129 /nfs/dbraw/zinc/02/51/29/386025129.db2.gz FGXMIQTZSVRTDE-RYUDHWBXSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)CN(C)C ZINC000291759730 386038309 /nfs/dbraw/zinc/03/83/09/386038309.db2.gz RGVHYOUQTZAQKT-LLVKDONJSA-N 1 3 249.358 1.073 20 0 BDADHO C[C@@H](CN1CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000129105627 386049877 /nfs/dbraw/zinc/04/98/77/386049877.db2.gz ZYRFIKIQNONVFH-UONOGXRCSA-N 1 3 239.407 1.593 20 0 BDADHO COc1ccccc1/C=C/CNC[C@@H](C)C[NH3+] ZINC000414885502 386060821 /nfs/dbraw/zinc/06/08/21/386060821.db2.gz XAKSFIKUFWLKTI-PZBABLGHSA-N 1 3 234.343 1.893 20 0 BDADHO CO[C@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404140 386077230 /nfs/dbraw/zinc/07/72/30/386077230.db2.gz OUJYRWYDGFKLSK-NEPJUHHUSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404140 386077234 /nfs/dbraw/zinc/07/72/34/386077234.db2.gz OUJYRWYDGFKLSK-NEPJUHHUSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@@H](N(C)C)CC1)C1CC1 ZINC000425482443 386153180 /nfs/dbraw/zinc/15/31/80/386153180.db2.gz QSJVNYVQWBFNBO-ZIAGYGMSSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@@H](N(C)C)CC1)C1CC1 ZINC000425482443 386153182 /nfs/dbraw/zinc/15/31/82/386153182.db2.gz QSJVNYVQWBFNBO-ZIAGYGMSSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H](CN1CCC[C@@H]([NH+](C)C)CC1)C1CC1 ZINC000425482443 386153188 /nfs/dbraw/zinc/15/31/88/386153188.db2.gz QSJVNYVQWBFNBO-ZIAGYGMSSA-N 1 3 240.391 1.828 20 0 BDADHO Cc1ccc(CCC[NH2+][C@H](C)CCN)cn1 ZINC000414894404 386173859 /nfs/dbraw/zinc/17/38/59/386173859.db2.gz LHXWRLMPXPBKJN-GFCCVEGCSA-N 1 3 221.348 1.650 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000414674861 386142181 /nfs/dbraw/zinc/14/21/81/386142181.db2.gz SGHWCVMTBJLHJC-SDDRHHMPSA-N 1 3 234.347 1.277 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000414697640 386202489 /nfs/dbraw/zinc/20/24/89/386202489.db2.gz CJTKEZWTOYSOME-RDBSUJKOSA-N 1 3 242.407 1.843 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000414697640 386202492 /nfs/dbraw/zinc/20/24/92/386202492.db2.gz CJTKEZWTOYSOME-RDBSUJKOSA-N 1 3 242.407 1.843 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414714085 386238786 /nfs/dbraw/zinc/23/87/86/386238786.db2.gz WZBYINXMVXJPGA-AAEUAGOBSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414714085 386238791 /nfs/dbraw/zinc/23/87/91/386238791.db2.gz WZBYINXMVXJPGA-AAEUAGOBSA-N 1 3 242.363 1.245 20 0 BDADHO CC[C@@H](O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000339126529 386252597 /nfs/dbraw/zinc/25/25/97/386252597.db2.gz YXMMLEPQTZSFRR-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000339126529 386252600 /nfs/dbraw/zinc/25/26/00/386252600.db2.gz YXMMLEPQTZSFRR-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000339126529 386252604 /nfs/dbraw/zinc/25/26/04/386252604.db2.gz YXMMLEPQTZSFRR-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CCSCC[C@@H](C)N(C)CCC[NH3+] ZINC000414698534 386199486 /nfs/dbraw/zinc/19/94/86/386199486.db2.gz CYBUCAFRKPHBQE-SNVBAGLBSA-N 1 3 204.383 1.799 20 0 BDADHO CCSCC[C@@H](C)[N@H+](C)CCCN ZINC000414698534 386199490 /nfs/dbraw/zinc/19/94/90/386199490.db2.gz CYBUCAFRKPHBQE-SNVBAGLBSA-N 1 3 204.383 1.799 20 0 BDADHO CCSCC[C@@H](C)[N@@H+](C)CCCN ZINC000414698534 386199492 /nfs/dbraw/zinc/19/94/92/386199492.db2.gz CYBUCAFRKPHBQE-SNVBAGLBSA-N 1 3 204.383 1.799 20 0 BDADHO Cc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414900645 386280487 /nfs/dbraw/zinc/28/04/87/386280487.db2.gz WHSZBXUFOOHFJV-ZDUSSCGKSA-N 1 3 204.317 1.822 20 0 BDADHO CCOC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647885772 386285970 /nfs/dbraw/zinc/28/59/70/386285970.db2.gz OMXNPAQXFVMKGP-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)N(C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000236649353 386296666 /nfs/dbraw/zinc/29/66/66/386296666.db2.gz GINDQIBPYMWFRR-ZDUSSCGKSA-N 1 3 249.358 1.143 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCC([C@@H]2CCCO2)CC1 ZINC000647988758 386318908 /nfs/dbraw/zinc/31/89/08/386318908.db2.gz IGFJSTFNIFFJTI-JSGCOSHPSA-N 1 3 238.375 1.487 20 0 BDADHO CN(C)C1CC[NH+](CC2(C)COC2)CC1 ZINC000336650441 386263004 /nfs/dbraw/zinc/26/30/04/386263004.db2.gz SWBAUMGSWVQWRA-UHFFFAOYSA-N 1 3 212.337 1.049 20 0 BDADHO CCOc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414900080 386268502 /nfs/dbraw/zinc/26/85/02/386268502.db2.gz VNGJLTKSQRHYST-CQSZACIVSA-N 1 3 234.343 1.912 20 0 BDADHO CO[C@@H](C)C[N@H+](C)CC[C@H]1CCCN1C ZINC000336682271 386342036 /nfs/dbraw/zinc/34/20/36/386342036.db2.gz JIZAJPNDZDJXSE-NWDGAFQWSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@@H](C)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000336682271 386342040 /nfs/dbraw/zinc/34/20/40/386342040.db2.gz JIZAJPNDZDJXSE-NWDGAFQWSA-N 1 3 214.353 1.437 20 0 BDADHO C1CC[C@H](N[C@H]2CCCOCC2)C[NH2+]C1 ZINC000335272158 386361039 /nfs/dbraw/zinc/36/10/39/386361039.db2.gz YNOVLQIYVBCUSG-RYUDHWBXSA-N 1 3 212.337 1.287 20 0 BDADHO Cc1ccc([C@@H](CNC(=O)CC[NH3+])N(C)C)cc1 ZINC000237190529 386364444 /nfs/dbraw/zinc/36/44/44/386364444.db2.gz GTGPUMNMRXZWAX-CYBMUJFWSA-N 1 3 249.358 1.063 20 0 BDADHO Cc1nocc1CNCC1(C)CC[NH+](C)CC1 ZINC000339341392 386374300 /nfs/dbraw/zinc/37/43/00/386374300.db2.gz ATYFMYUDUZCLMT-UHFFFAOYSA-N 1 3 237.347 1.805 20 0 BDADHO CC[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCOC1 ZINC000310228284 386376725 /nfs/dbraw/zinc/37/67/25/386376725.db2.gz OKOARCCEFWFVJW-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCCCOC1CCN(CCC[NH3+])CC1 ZINC000414742507 386327957 /nfs/dbraw/zinc/32/79/57/386327957.db2.gz MMAWYMSHUYWIQY-UHFFFAOYSA-N 1 3 214.353 1.616 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CC[NH2+]C2)C[C@@H]1C ZINC000647989118 386337154 /nfs/dbraw/zinc/33/71/54/386337154.db2.gz LCKBIKAKBAVQCX-AVGNSLFASA-N 1 3 225.380 1.010 20 0 BDADHO CC[C@](C)(CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336704244 386393170 /nfs/dbraw/zinc/39/31/70/386393170.db2.gz PTAFEPPPCQQHOD-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336704244 386393173 /nfs/dbraw/zinc/39/31/73/386393173.db2.gz PTAFEPPPCQQHOD-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000336704244 386393174 /nfs/dbraw/zinc/39/31/74/386393174.db2.gz PTAFEPPPCQQHOD-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCO1 ZINC000336732713 386402591 /nfs/dbraw/zinc/40/25/91/386402591.db2.gz FZYTUWRPYOMIOV-YPMHNXCESA-N 1 3 224.348 1.405 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC2(O)CCCC2)C1 ZINC000336707716 386414495 /nfs/dbraw/zinc/41/44/95/386414495.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(O)CCCC2)C1 ZINC000336707716 386414501 /nfs/dbraw/zinc/41/45/01/386414501.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC2(O)CCCC2)C1 ZINC000336707716 386414507 /nfs/dbraw/zinc/41/45/07/386414507.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC2(O)CCCC2)C1 ZINC000336707716 386414514 /nfs/dbraw/zinc/41/45/14/386414514.db2.gz HMYHKABDRGEOAI-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@@H]2CCCOC2)C1 ZINC000093453298 386415796 /nfs/dbraw/zinc/41/57/96/386415796.db2.gz VLLHPIXBQIXUPB-ZOBORPQBSA-N 1 3 238.375 1.676 20 0 BDADHO COc1cc(C[NH2+][C@@H](C)[C@H](C)N)ccc1C ZINC000415017699 386504242 /nfs/dbraw/zinc/50/42/42/386504242.db2.gz QKDDVASKIGNERX-QWRGUYRKSA-N 1 3 222.332 1.829 20 0 BDADHO Cc1ncsc1C[NH2+][C@@H](CN)C(C)(C)C ZINC000415049914 386506303 /nfs/dbraw/zinc/50/63/03/386506303.db2.gz BWFUNJMLYZPVMM-JTQLQIEISA-N 1 3 227.377 1.915 20 0 BDADHO Cc1ccncc1CN1CCC(C[NH3+])CC1 ZINC000135498934 386515429 /nfs/dbraw/zinc/51/54/29/386515429.db2.gz MSEKYRYVTWXCEW-UHFFFAOYSA-N 1 3 219.332 1.561 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000415028047 386516470 /nfs/dbraw/zinc/51/64/70/386516470.db2.gz BYBSCXHWPJXKLS-MNOVXSKESA-N 1 3 235.331 1.313 20 0 BDADHO C[C@H](C[NH2+]C[C@@H]1CNCCCO1)c1ccccc1 ZINC000415032682 386519118 /nfs/dbraw/zinc/51/91/18/386519118.db2.gz GIPGUTFZZXELNJ-HIFRSBDPSA-N 1 3 248.370 1.758 20 0 BDADHO C[C@H](CNC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032682 386519126 /nfs/dbraw/zinc/51/91/26/386519126.db2.gz GIPGUTFZZXELNJ-HIFRSBDPSA-N 1 3 248.370 1.758 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H]1CNCCCO1)c1ccccc1 ZINC000415032685 386519358 /nfs/dbraw/zinc/51/93/58/386519358.db2.gz GIPGUTFZZXELNJ-ZFWWWQNUSA-N 1 3 248.370 1.758 20 0 BDADHO C[C@@H](CNC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032685 386519365 /nfs/dbraw/zinc/51/93/65/386519365.db2.gz GIPGUTFZZXELNJ-ZFWWWQNUSA-N 1 3 248.370 1.758 20 0 BDADHO CC[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415032518 386519532 /nfs/dbraw/zinc/51/95/32/386519532.db2.gz HMDRKUCFZVKHEH-KVSVUVNWSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415036846 386523417 /nfs/dbraw/zinc/52/34/17/386523417.db2.gz MILODPWHXJYXGV-SCUASFONSA-N 1 3 216.328 1.598 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC2(C)C)CCO1 ZINC000415037981 386523810 /nfs/dbraw/zinc/52/38/10/386523810.db2.gz LRDCIOADEIILRO-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO CCCC[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000415035970 386524454 /nfs/dbraw/zinc/52/44/54/386524454.db2.gz JMDQVDROYMRDPJ-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO CCC(CC)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415036390 386524682 /nfs/dbraw/zinc/52/46/82/386524682.db2.gz JTLSIUJFLUMNAL-LBPRGKRZSA-N 1 3 214.353 1.391 20 0 BDADHO C1CC([C@H]2CC[C@@H]2[NH2+]C2CCNCC2)C1 ZINC000335452325 386526413 /nfs/dbraw/zinc/52/64/13/386526413.db2.gz OIMYWUVDHXPNIV-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000415042065 386527117 /nfs/dbraw/zinc/52/71/17/386527117.db2.gz QEADATFQGKNCQU-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C(CN1CCN2CCCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000094440698 386453287 /nfs/dbraw/zinc/45/32/87/386453287.db2.gz YTWZVWYPEHKWGM-KBPBESRZSA-N 1 3 237.391 1.156 20 0 BDADHO Cc1ccc2ncc(C[NH2+][C@@H](CN)C3CC3)n2c1 ZINC000414800519 386586773 /nfs/dbraw/zinc/58/67/73/386586773.db2.gz KZDWWUXUOVTFLG-ZDUSSCGKSA-N 1 3 244.342 1.470 20 0 BDADHO C[C@@H](NCC(C)(C)C[NH+](C)C)[C@H]1CCCO1 ZINC000336644720 386594461 /nfs/dbraw/zinc/59/44/61/386594461.db2.gz CMQNKFNDYFPBAI-VXGBXAGGSA-N 1 3 228.380 1.731 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@]1(C)CC[NH2+]C1 ZINC000415082379 386598953 /nfs/dbraw/zinc/59/89/53/386598953.db2.gz LQUIJKVEAKRJTD-CHWSQXEVSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)C1CCC1 ZINC000415045228 386531708 /nfs/dbraw/zinc/53/17/08/386531708.db2.gz TVBMMNIKWXGACI-CMPLNLGQSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000415046919 386533607 /nfs/dbraw/zinc/53/36/07/386533607.db2.gz XYFLUWPEFCXDKX-DZDPUUJWSA-N 1 3 208.349 1.619 20 0 BDADHO CC[C@H](C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415046718 386534632 /nfs/dbraw/zinc/53/46/32/386534632.db2.gz VDMKCLACQHLWLC-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO c1cncc([C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)c1 ZINC000647995329 386537642 /nfs/dbraw/zinc/53/76/42/386537642.db2.gz OZKDJGMNQUKKIP-TZMCWYRMSA-N 1 3 231.343 1.480 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@H](CN)C1CCCC1 ZINC000415065867 386549495 /nfs/dbraw/zinc/54/94/95/386549495.db2.gz NTNLLVSINSDQEE-CHWSQXEVSA-N 1 3 227.396 1.467 20 0 BDADHO CN(C)CCOCC[NH2+]C1CC(C)(C)C1 ZINC000336758429 386634168 /nfs/dbraw/zinc/63/41/68/386634168.db2.gz JWGPOZRSGYKDJT-UHFFFAOYSA-N 1 3 214.353 1.343 20 0 BDADHO CCCC[C@@H](COC)N[C@H](C[NH3+])C1CC1 ZINC000414814035 386636222 /nfs/dbraw/zinc/63/62/22/386636222.db2.gz RHQLWOUVDOTDIG-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO CN(C)CCNC1CC[NH+](C(C)(C)C)CC1 ZINC000336782841 386652249 /nfs/dbraw/zinc/65/22/49/386652249.db2.gz YUEVNBVJUQYMAA-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000415082378 386599294 /nfs/dbraw/zinc/59/92/94/386599294.db2.gz OGBYMPZNOKXDQX-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000415082378 386599299 /nfs/dbraw/zinc/59/92/99/386599299.db2.gz OGBYMPZNOKXDQX-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CCOCCC1(C[NH2+][C@H]2CCNC2)CCCC1 ZINC000415082259 386599885 /nfs/dbraw/zinc/59/98/85/386599885.db2.gz CYFOJIFUUCWRBD-ZDUSSCGKSA-N 1 3 240.391 1.925 20 0 BDADHO C([NH2+][C@@H]1CCC12CCC2)[C@H]1CNCCCO1 ZINC000335489396 386607549 /nfs/dbraw/zinc/60/75/49/386607549.db2.gz VLJHLKIBNXEJSO-VXGBXAGGSA-N 1 3 224.348 1.287 20 0 BDADHO C(N[C@@H]1CCC12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000335489396 386607553 /nfs/dbraw/zinc/60/75/53/386607553.db2.gz VLJHLKIBNXEJSO-VXGBXAGGSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(C(N)=O)cc1 ZINC000520230547 386607963 /nfs/dbraw/zinc/60/79/63/386607963.db2.gz TZFZJCAJQLLQSP-UWVGGRQHSA-N 1 3 235.331 1.001 20 0 BDADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000428119850 386661157 /nfs/dbraw/zinc/66/11/57/386661157.db2.gz JJYALWSVTMZAJC-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO C1C[C@@]2(CO1)CCC[N@@H+]([C@@H]1CCCNCC1)C2 ZINC000335525690 386669309 /nfs/dbraw/zinc/66/93/09/386669309.db2.gz PSBLZUOIWQIBSG-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO C1C[C@@]2(CO1)CCC[N@H+]([C@@H]1CCCNCC1)C2 ZINC000335525690 386669311 /nfs/dbraw/zinc/66/93/11/386669311.db2.gz PSBLZUOIWQIBSG-KGLIPLIRSA-N 1 3 238.375 1.631 20 0 BDADHO COc1ccc2c(c1)C[C@H](N[C@H](C)C[NH3+])CC2 ZINC000414926779 386674673 /nfs/dbraw/zinc/67/46/73/386674673.db2.gz KWXBKOXUIRDNNO-ZWNOBZJWSA-N 1 3 234.343 1.489 20 0 BDADHO CNC[C@@H](C)C[NH2+]CC(C)(C)COC ZINC000414831147 386709856 /nfs/dbraw/zinc/70/98/56/386709856.db2.gz CBHIKPVDAVWUMK-SNVBAGLBSA-N 1 3 202.342 1.104 20 0 BDADHO C[NH2+]C[C@@H](C)CNCC(C)(C)COC ZINC000414831147 386709863 /nfs/dbraw/zinc/70/98/63/386709863.db2.gz CBHIKPVDAVWUMK-SNVBAGLBSA-N 1 3 202.342 1.104 20 0 BDADHO C[C@H](CN)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000335468033 386683367 /nfs/dbraw/zinc/68/33/67/386683367.db2.gz IFLAIDANBKGFGH-SKDRFNHKSA-N 1 3 220.316 1.706 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000335468032 386683869 /nfs/dbraw/zinc/68/38/69/386683869.db2.gz IFLAIDANBKGFGH-BXKDBHETSA-N 1 3 220.316 1.706 20 0 BDADHO CCCC[C@@H](COC)NCC[C@H](C)[NH3+] ZINC000414825554 386690192 /nfs/dbraw/zinc/69/01/92/386690192.db2.gz TTWBIGLVDSYGJN-QWRGUYRKSA-N 1 3 202.342 1.519 20 0 BDADHO CCN1CC[C@H]([NH2+]CC2(N(C)C)CC2)[C@@H](C)C1 ZINC000417382655 386691798 /nfs/dbraw/zinc/69/17/98/386691798.db2.gz OAXFWBBCONEAQH-STQMWFEESA-N 1 3 239.407 1.401 20 0 BDADHO CC[C@@H]1C[C@H](CNCC[NH2+]C)CCO1 ZINC000414828950 386700139 /nfs/dbraw/zinc/70/01/39/386700139.db2.gz LQXDGDNGLHZHNT-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@H]1C[C@H](CNCC[NH2+]C)CCO1 ZINC000414828953 386702991 /nfs/dbraw/zinc/70/29/91/386702991.db2.gz LQXDGDNGLHZHNT-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO COCC(C)(C)CNCC1([NH3+])CCCCC1 ZINC000414837374 386733610 /nfs/dbraw/zinc/73/36/10/386733610.db2.gz HATOXWZMMXKKAB-UHFFFAOYSA-N 1 3 228.380 1.910 20 0 BDADHO CNC[C@H](C)C[NH2+]C[C@H]1CCSC1 ZINC000414835686 386728461 /nfs/dbraw/zinc/72/84/61/386728461.db2.gz HMNQCGQZAZGBBP-VHSXEESVSA-N 1 3 202.367 1.185 20 0 BDADHO Cc1ccc(CNCC[C@H]2CC[NH2+]C2)nc1 ZINC000414839869 386746813 /nfs/dbraw/zinc/74/68/13/386746813.db2.gz WRXLUMTWQCNQBB-GFCCVEGCSA-N 1 3 219.332 1.479 20 0 BDADHO CCN(CC)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357361931 386767431 /nfs/dbraw/zinc/76/74/31/386767431.db2.gz GBZKTEVCMWEIJW-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000192131080 386742919 /nfs/dbraw/zinc/74/29/19/386742919.db2.gz AESSWNBOJIOKEP-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CN(C)CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000336667758 386785386 /nfs/dbraw/zinc/78/53/86/386785386.db2.gz QJRBRUJIJCQOQK-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@H]1C[C@H]1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071954 386785874 /nfs/dbraw/zinc/78/58/74/386785874.db2.gz CJGSOVHGEHHHSS-STQMWFEESA-N 1 3 238.375 1.439 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417864952 386808832 /nfs/dbraw/zinc/80/88/32/386808832.db2.gz BUCZTVJHTCFGGL-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417864952 386808837 /nfs/dbraw/zinc/80/88/37/386808837.db2.gz BUCZTVJHTCFGGL-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417864952 386808843 /nfs/dbraw/zinc/80/88/43/386808843.db2.gz BUCZTVJHTCFGGL-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+]1CCC[C@H]2CN(CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790415 386853253 /nfs/dbraw/zinc/85/32/53/386853253.db2.gz YCJQTEOCECGENG-KBPBESRZSA-N 1 3 248.374 1.368 20 0 BDADHO C[N@H+]1CCC[C@H]2CN(CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790415 386853257 /nfs/dbraw/zinc/85/32/57/386853257.db2.gz YCJQTEOCECGENG-KBPBESRZSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790415 386853261 /nfs/dbraw/zinc/85/32/61/386853261.db2.gz YCJQTEOCECGENG-KBPBESRZSA-N 1 3 248.374 1.368 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCc3cn[nH]c3)CC[C@@H]21 ZINC000334790415 386853263 /nfs/dbraw/zinc/85/32/63/386853263.db2.gz YCJQTEOCECGENG-KBPBESRZSA-N 1 3 248.374 1.368 20 0 BDADHO c1ccc2c(c1)CC[C@H]([NH2+]C1CCNCC1)C2 ZINC000051631061 386835237 /nfs/dbraw/zinc/83/52/37/386835237.db2.gz PJNFIJJDTKSKLA-HNNXBMFYSA-N 1 3 230.355 1.886 20 0 BDADHO c1ccc2c(c1)CC[C@H](NC1CC[NH2+]CC1)C2 ZINC000051631061 386835240 /nfs/dbraw/zinc/83/52/40/386835240.db2.gz PJNFIJJDTKSKLA-HNNXBMFYSA-N 1 3 230.355 1.886 20 0 BDADHO COC[C@]1(CN[C@H]2CCC(C)(C)C2)CCC[NH2+]1 ZINC000414936661 386839665 /nfs/dbraw/zinc/83/96/65/386839665.db2.gz CEMXRTZASFSVQL-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000645187919 386850186 /nfs/dbraw/zinc/85/01/86/386850186.db2.gz LDQXSMMQPIDCDJ-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000645187919 386850190 /nfs/dbraw/zinc/85/01/90/386850190.db2.gz LDQXSMMQPIDCDJ-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H](O)C[C@H](C)NC1CC[NH+](C(C)(C)C)CC1 ZINC000341289176 386864335 /nfs/dbraw/zinc/86/43/35/386864335.db2.gz URNSNESAUAEKJL-NWDGAFQWSA-N 1 3 242.407 1.998 20 0 BDADHO CS[C@@H]1CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000425350367 386867866 /nfs/dbraw/zinc/86/78/66/386867866.db2.gz LKXSJPVZBOCESU-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO CS[C@@H]1CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000425350367 386867869 /nfs/dbraw/zinc/86/78/69/386867869.db2.gz LKXSJPVZBOCESU-NWDGAFQWSA-N 1 3 228.405 1.956 20 0 BDADHO CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCCOCC1 ZINC000334862260 386915863 /nfs/dbraw/zinc/91/58/63/386915863.db2.gz JQBCZZGPQATRII-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO Nc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCNCC1 ZINC000334866054 386921520 /nfs/dbraw/zinc/92/15/20/386921520.db2.gz VVIIWMXTXSSXFW-OAHLLOKOSA-N 1 3 245.370 1.988 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331892373 386922484 /nfs/dbraw/zinc/92/24/84/386922484.db2.gz DKFRZWWBUAEYAO-GHMZBOCLSA-N 1 3 214.353 1.397 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000335774926 386924082 /nfs/dbraw/zinc/92/40/82/386924082.db2.gz YPDDULWIRHSRQU-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000335774926 386924085 /nfs/dbraw/zinc/92/40/85/386924085.db2.gz YPDDULWIRHSRQU-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CCN1 ZINC000334871107 386931159 /nfs/dbraw/zinc/93/11/59/386931159.db2.gz XVUIFEPVDMYONK-RISCZKNCSA-N 1 3 230.355 1.884 20 0 BDADHO C[C@@H]1C[C@@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871107 386931165 /nfs/dbraw/zinc/93/11/65/386931165.db2.gz XVUIFEPVDMYONK-RISCZKNCSA-N 1 3 230.355 1.884 20 0 BDADHO C[C@H]([NH2+]C1CCSCC1)[C@H]1CCCNC1 ZINC000334875066 386936057 /nfs/dbraw/zinc/93/60/57/386936057.db2.gz RFHLISLQESGGFQ-QWRGUYRKSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]([NH2+]C1CCSCC1)[C@H]1CCCNC1 ZINC000334875065 386937527 /nfs/dbraw/zinc/93/75/27/386937527.db2.gz RFHLISLQESGGFQ-MNOVXSKESA-N 1 3 228.405 1.860 20 0 BDADHO CCSCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368319683 386959149 /nfs/dbraw/zinc/95/91/49/386959149.db2.gz YHRNPWBXDRYFPW-GFCCVEGCSA-N 1 3 228.405 1.767 20 0 BDADHO CCSCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368319683 386959153 /nfs/dbraw/zinc/95/91/53/386959153.db2.gz YHRNPWBXDRYFPW-GFCCVEGCSA-N 1 3 228.405 1.767 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332046948 386948430 /nfs/dbraw/zinc/94/84/30/386948430.db2.gz VGJBCXHOFFGEHJ-GARJFASQSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H]1c2ccccc2CCN1CCC[NH3+] ZINC000334820980 386949379 /nfs/dbraw/zinc/94/93/79/386949379.db2.gz VQFDDTQFTZETHU-NSHDSACASA-N 1 3 204.317 1.955 20 0 BDADHO c1ccc2c(c1)CCN[C@H]2CN[C@@H]1CCC[NH2+]C1 ZINC000334820761 386950183 /nfs/dbraw/zinc/95/01/83/386950183.db2.gz TUBDEWILTSGPAQ-HIFRSBDPSA-N 1 3 245.370 1.215 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccsc1 ZINC000126717070 387051526 /nfs/dbraw/zinc/05/15/26/387051526.db2.gz GYPUCNSCKUJHPE-MWLCHTKSSA-N 1 3 210.346 1.917 20 0 BDADHO CC[NH+](CC)CCCNC(=O)CN(C)C(C)C ZINC000358811686 387017817 /nfs/dbraw/zinc/01/78/17/387017817.db2.gz HFQYYYTWJPVMTQ-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000334979898 387065941 /nfs/dbraw/zinc/06/59/41/387065941.db2.gz KBDAIWWUZAUQRB-NSHDSACASA-N 1 3 212.337 1.084 20 0 BDADHO CCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000334979898 387065944 /nfs/dbraw/zinc/06/59/44/387065944.db2.gz KBDAIWWUZAUQRB-NSHDSACASA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccccc1N(C)C ZINC000423298698 387130664 /nfs/dbraw/zinc/13/06/64/387130664.db2.gz ASTXXURFQRTMJO-RYUDHWBXSA-N 1 3 235.375 1.998 20 0 BDADHO C(N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000250680897 387120121 /nfs/dbraw/zinc/12/01/21/387120121.db2.gz YIWPBXNRFNDZNT-REWJHTLYSA-N 1 3 238.375 1.676 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN)C12CCCC2 ZINC000423310286 387146470 /nfs/dbraw/zinc/14/64/70/387146470.db2.gz RRVOFUKMQGVRFX-FRRDWIJNSA-N 1 3 240.391 1.909 20 0 BDADHO C([NH2+][C@H]1CCCC[C@H]1C1CC1)C1CNC1 ZINC000423309116 387147148 /nfs/dbraw/zinc/14/71/48/387147148.db2.gz YZRAEVNYVOUWBO-STQMWFEESA-N 1 3 208.349 1.764 20 0 BDADHO CCC[NH2+]CCN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423312174 387148888 /nfs/dbraw/zinc/14/88/88/387148888.db2.gz RKDYXFSBQPJKTA-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)O[C@@H]1C[C@@H](NC[C@H]([NH3+])C2CC2)C1(C)C ZINC000423313319 387152552 /nfs/dbraw/zinc/15/25/52/387152552.db2.gz FLZCVFVXQQKQTM-YNEHKIRRSA-N 1 3 240.391 1.905 20 0 BDADHO Cc1ccncc1[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423315243 387153734 /nfs/dbraw/zinc/15/37/34/387153734.db2.gz ZIINERSGNHFCLY-MWLCHTKSSA-N 1 3 207.321 1.635 20 0 BDADHO CCN1C[C@H](NC[C@]2(C)CCC[NH2+]C2)[C@@H](C)C1 ZINC000423320055 387161007 /nfs/dbraw/zinc/16/10/07/387161007.db2.gz FAGOLIYDXYXDOG-MELADBBJSA-N 1 3 239.407 1.306 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCC1)c1cccc(CO)c1 ZINC000423329261 387174074 /nfs/dbraw/zinc/17/40/74/387174074.db2.gz OLKOHGHDTQCEFN-LLVKDONJSA-N 1 3 234.343 1.711 20 0 BDADHO CC1(C)[C@H](NC[C@H]([NH3+])C2CC2)[C@H]2CCCO[C@H]21 ZINC000423331059 387174817 /nfs/dbraw/zinc/17/48/17/387174817.db2.gz UOOCEGVEIDCCMD-YVECIDJPSA-N 1 3 238.375 1.517 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000423300534 387133224 /nfs/dbraw/zinc/13/32/24/387133224.db2.gz RSKUFBNKNKGQEG-UPJWGTAASA-N 1 3 227.396 1.434 20 0 BDADHO C1CC([C@@H]2CC[C@@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000423302190 387134844 /nfs/dbraw/zinc/13/48/44/387134844.db2.gz JFIFRYGEGJYWTD-AVGNSLFASA-N 1 3 208.349 1.907 20 0 BDADHO CCO[C@H]1C[C@H](NCC2C[NH2+]C2)C12CCC2 ZINC000423303618 387136512 /nfs/dbraw/zinc/13/65/12/387136512.db2.gz MCIIPDGOEIUZDO-RYUDHWBXSA-N 1 3 224.348 1.143 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CC2CNC2)C12CCC2 ZINC000423303618 387136517 /nfs/dbraw/zinc/13/65/17/387136517.db2.gz MCIIPDGOEIUZDO-RYUDHWBXSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)c1cccc(CO)c1 ZINC000423303147 387136595 /nfs/dbraw/zinc/13/65/95/387136595.db2.gz WORDDWMJNZKOHN-GHMZBOCLSA-N 1 3 222.332 1.424 20 0 BDADHO Cc1ccnc([C@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423355800 387208747 /nfs/dbraw/zinc/20/87/47/387208747.db2.gz PMQKPGRCBRNZRM-LBPRGKRZSA-N 1 3 231.343 1.960 20 0 BDADHO CCCCO[C@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423357345 387208868 /nfs/dbraw/zinc/20/88/68/387208868.db2.gz ABGWSNOSCURIOE-SRVKXCTJSA-N 1 3 228.380 1.907 20 0 BDADHO CO[C@@H](C)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000336379560 387209696 /nfs/dbraw/zinc/20/96/96/387209696.db2.gz ULASZLQHLOSEJB-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@@H](C)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000336379560 387209701 /nfs/dbraw/zinc/20/97/01/387209701.db2.gz ULASZLQHLOSEJB-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@@H](N[C@@H](C)C[NH3+])C1CCCC1 ZINC000423359253 387210379 /nfs/dbraw/zinc/21/03/79/387210379.db2.gz DBLLGQUZEWEGLX-GXSJLCMTSA-N 1 3 200.326 1.128 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423361120 387212876 /nfs/dbraw/zinc/21/28/76/387212876.db2.gz LXWDRBGYYOLSAM-MCIONIFRSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366718 387217298 /nfs/dbraw/zinc/21/72/98/387217298.db2.gz QIBWBPVFYUMHEF-OUCADQQQSA-N 1 3 237.391 1.201 20 0 BDADHO COC[C@@H](NCC[C@H]1CCC[NH2+]1)C(C)C ZINC000423366261 387219198 /nfs/dbraw/zinc/21/91/98/387219198.db2.gz QBXNNNMPSMITFE-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](N)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000353556972 387227928 /nfs/dbraw/zinc/22/79/28/387227928.db2.gz AMVYSXYHCHOBOO-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](N)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000353556972 387227934 /nfs/dbraw/zinc/22/79/34/387227934.db2.gz AMVYSXYHCHOBOO-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)CCN1C ZINC000353632437 387245867 /nfs/dbraw/zinc/24/58/67/387245867.db2.gz UBIIFHVCKHTDTK-GRYCIOLGSA-N 1 3 248.374 1.339 20 0 BDADHO C[C@H](NC[C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000423416644 387249029 /nfs/dbraw/zinc/24/90/29/387249029.db2.gz DCNRXFVKTFAJFV-AVGNSLFASA-N 1 3 248.374 1.892 20 0 BDADHO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428389 387254341 /nfs/dbraw/zinc/25/43/41/387254341.db2.gz ONWVXPVXISZBMT-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423374354 387254508 /nfs/dbraw/zinc/25/45/08/387254508.db2.gz IHTONSIYTFQQKK-ZDCRXTMVSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423375676 387257555 /nfs/dbraw/zinc/25/75/55/387257555.db2.gz DBPWQWLJHKDTAQ-AGIUHOORSA-N 1 3 239.407 1.304 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000423384095 387269203 /nfs/dbraw/zinc/26/92/03/387269203.db2.gz PXDQNEMRPWLHCE-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000423386527 387269976 /nfs/dbraw/zinc/26/99/76/387269976.db2.gz HGQBVNMJPYGHEF-UTUOFQBUSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391668 387276950 /nfs/dbraw/zinc/27/69/50/387276950.db2.gz PNLWZWWIJXGCGS-WDEREUQCSA-N 1 3 234.343 1.803 20 0 BDADHO CO[C@H](C)[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000360430818 387282487 /nfs/dbraw/zinc/28/24/87/387282487.db2.gz YMRRRQJTWVKSAK-VXGBXAGGSA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000360436838 387283969 /nfs/dbraw/zinc/28/39/69/387283969.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCC(C)(C)O)C1 ZINC000360436838 387283976 /nfs/dbraw/zinc/28/39/76/387283976.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC(C)(C)O)C1 ZINC000360436838 387283982 /nfs/dbraw/zinc/28/39/82/387283982.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(C)(C)O)C1 ZINC000360436838 387283985 /nfs/dbraw/zinc/28/39/85/387283985.db2.gz KFGHZGLNQROJIR-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC000353997170 387308437 /nfs/dbraw/zinc/30/84/37/387308437.db2.gz QMPAYROBLSJJCW-RYUDHWBXSA-N 1 3 237.347 1.598 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)on1 ZINC000353997170 387308440 /nfs/dbraw/zinc/30/84/40/387308440.db2.gz QMPAYROBLSJJCW-RYUDHWBXSA-N 1 3 237.347 1.598 20 0 BDADHO CCN1C[C@H](C)[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423523333 387356851 /nfs/dbraw/zinc/35/68/51/387356851.db2.gz IFZIYQWFGMNSIW-WCQYABFASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H](CN)C2CCCC2)CCN1C ZINC000423532937 387357874 /nfs/dbraw/zinc/35/78/74/387357874.db2.gz SDNCKAHMPLRZGQ-XBFCOCLRSA-N 1 3 239.407 1.576 20 0 BDADHO COCC1CCC([NH2+]CCCNC2CC2)CC1 ZINC000423541929 387365297 /nfs/dbraw/zinc/36/52/97/387365297.db2.gz AICPCTIXRVDSHQ-UHFFFAOYSA-N 1 3 240.391 1.923 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423542908 387367966 /nfs/dbraw/zinc/36/79/66/387367966.db2.gz BKUZAMIDBJSDFE-RWMBFGLXSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000423545898 387371024 /nfs/dbraw/zinc/37/10/24/387371024.db2.gz FBDJXRCPCQDNRX-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC1(C)C ZINC000423492294 387336289 /nfs/dbraw/zinc/33/62/89/387336289.db2.gz MLQUQTGTXNOMOC-SDDRHHMPSA-N 1 3 226.364 1.389 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423499722 387340914 /nfs/dbraw/zinc/34/09/14/387340914.db2.gz JLHZHZOOFUOTKC-RBSFLKMASA-N 1 3 247.386 1.718 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOCC(F)(F)F ZINC000303392458 387348181 /nfs/dbraw/zinc/34/81/81/387348181.db2.gz ZWOHNBUTJMQEFT-SECBINFHSA-N 1 3 242.285 1.528 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521515 387352600 /nfs/dbraw/zinc/35/26/00/387352600.db2.gz QXEBFBVRBPCGOG-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CCO1 ZINC000515870078 387439480 /nfs/dbraw/zinc/43/94/80/387439480.db2.gz RBSNISWNQOXALV-FDYHWXHSSA-N 1 3 226.364 1.804 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000084222674 387441656 /nfs/dbraw/zinc/44/16/56/387441656.db2.gz VRLUZAMIMVJPDT-YVECIDJPSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@H]([NH2+]CC(C)(C)[C@H]1CCCCO1)C1CNC1 ZINC000643466609 387388660 /nfs/dbraw/zinc/38/86/60/387388660.db2.gz HGJVITDEWVOAGB-WCQYABFASA-N 1 3 240.391 1.779 20 0 BDADHO Cn1ncc2ccc(C[NH2+][C@@H]3CCC[C@@H]3N)cc21 ZINC000515634235 387405038 /nfs/dbraw/zinc/40/50/38/387405038.db2.gz TVBQFEMSHJDSBF-QWHCGFSZSA-N 1 3 244.342 1.543 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@@H]1COC(C)(C)C1 ZINC000396819762 387500343 /nfs/dbraw/zinc/50/03/43/387500343.db2.gz JGZOUDRWVDAXKR-QWRGUYRKSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](CN[C@@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870044 387504685 /nfs/dbraw/zinc/50/46/85/387504685.db2.gz XBYLSKAMJLQAAK-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[NH2+][C@@H]1COC(C)(C)C1)CN1CCCC1 ZINC000396870044 387504691 /nfs/dbraw/zinc/50/46/91/387504691.db2.gz XBYLSKAMJLQAAK-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000643475480 387509392 /nfs/dbraw/zinc/50/93/92/387509392.db2.gz YDIFFDUMNJPNOT-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000192796178 387536057 /nfs/dbraw/zinc/53/60/57/387536057.db2.gz BIOQTTJBFYCJEW-JHJVBQTASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192796178 387536063 /nfs/dbraw/zinc/53/60/63/387536063.db2.gz BIOQTTJBFYCJEW-JHJVBQTASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192796178 387536067 /nfs/dbraw/zinc/53/60/67/387536067.db2.gz BIOQTTJBFYCJEW-JHJVBQTASA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](CC[NH2+]CC1(C)COC1)N1CCCCC1 ZINC000352737590 387464744 /nfs/dbraw/zinc/46/47/44/387464744.db2.gz QNUNXHOVFKTXDY-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@H]1CCCN1 ZINC000643471004 387477191 /nfs/dbraw/zinc/47/71/91/387477191.db2.gz JCMPIHOPPVFZLQ-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643471000 387477582 /nfs/dbraw/zinc/47/75/82/387477582.db2.gz GXMKXSXESSLCGA-RVMXOQNASA-N 1 3 226.364 1.255 20 0 BDADHO C[C@H](O)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000305053681 387542385 /nfs/dbraw/zinc/54/23/85/387542385.db2.gz BEXFTHOUUPWJPM-LBPRGKRZSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@H](O)C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305053681 387542389 /nfs/dbraw/zinc/54/23/89/387542389.db2.gz BEXFTHOUUPWJPM-LBPRGKRZSA-N 1 3 240.391 1.754 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](CN)CC(C)C ZINC000643511173 387592786 /nfs/dbraw/zinc/59/27/86/387592786.db2.gz HAROMYNVAXVOHZ-KOLCDFICSA-N 1 3 224.352 1.742 20 0 BDADHO CCC(CC)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422700848 387614863 /nfs/dbraw/zinc/61/48/63/387614863.db2.gz AVRCYIRVIWNOPP-QNMSZWNNSA-N 1 3 240.391 1.656 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](O)C1CCCCC1 ZINC000422705769 387621431 /nfs/dbraw/zinc/62/14/31/387621431.db2.gz SDQXETTWEBVJGN-LOWVWBTDSA-N 1 3 228.380 1.643 20 0 BDADHO CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)N(C)C ZINC000124582198 387624268 /nfs/dbraw/zinc/62/42/68/387624268.db2.gz RUHVPSMPICERKW-NSHDSACASA-N 1 3 243.395 1.031 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCCCO2)C1 ZINC000168553832 387571690 /nfs/dbraw/zinc/57/16/90/387571690.db2.gz RKIAOQOSBHUMED-SRVKXCTJSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@](C[NH3+])(NCCOCC(F)(F)F)C1CC1 ZINC000430579637 387629862 /nfs/dbraw/zinc/62/98/62/387629862.db2.gz QZTGZMQJOHVDLG-VIFPVBQESA-N 1 3 240.269 1.282 20 0 BDADHO CCCCN(C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422719458 387632606 /nfs/dbraw/zinc/63/26/06/387632606.db2.gz YEIBNUNKEXZUFT-QWHCGFSZSA-N 1 3 227.396 1.306 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422723765 387633595 /nfs/dbraw/zinc/63/35/95/387633595.db2.gz SIYTTXGMMMEFGS-OLZOCXBDSA-N 1 3 228.380 1.781 20 0 BDADHO COc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422726951 387635016 /nfs/dbraw/zinc/63/50/16/387635016.db2.gz AXQIUFUKAHQJOX-QWRGUYRKSA-N 1 3 222.332 1.911 20 0 BDADHO CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCC[C@H]1N ZINC000422725474 387635767 /nfs/dbraw/zinc/63/57/67/387635767.db2.gz BMGOUNKUYOTKHU-MGPQQGTHSA-N 1 3 239.407 1.720 20 0 BDADHO CCOCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422734692 387643741 /nfs/dbraw/zinc/64/37/41/387643741.db2.gz SUNDHNIFYDDMIO-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccccn1 ZINC000422736948 387644793 /nfs/dbraw/zinc/64/47/93/387644793.db2.gz YWRRYOJZUPTEPW-OCCSQVGLSA-N 1 3 233.359 1.602 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422747458 387650574 /nfs/dbraw/zinc/65/05/74/387650574.db2.gz YSMISYMCUHVGNP-MRVWCRGKSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000422747458 387650578 /nfs/dbraw/zinc/65/05/78/387650578.db2.gz YSMISYMCUHVGNP-MRVWCRGKSA-N 1 3 237.391 1.473 20 0 BDADHO C[C@H](NCCc1ccccc1)C1C[NH2+]C1 ZINC000422749016 387654043 /nfs/dbraw/zinc/65/40/43/387654043.db2.gz XAYQEARNGCFLID-NSHDSACASA-N 1 3 204.317 1.427 20 0 BDADHO C[C@H]([NH2+]CCc1ccccc1)C1CNC1 ZINC000422749016 387654047 /nfs/dbraw/zinc/65/40/47/387654047.db2.gz XAYQEARNGCFLID-NSHDSACASA-N 1 3 204.317 1.427 20 0 BDADHO CSCCCC[NH2+][C@H](C)C[C@H](C)N ZINC000422755588 387657762 /nfs/dbraw/zinc/65/77/62/387657762.db2.gz KRCOFPIPLFQBHE-VHSXEESVSA-N 1 3 204.383 1.845 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)C1CNC1)c1ccccc1 ZINC000422754425 387657931 /nfs/dbraw/zinc/65/79/31/387657931.db2.gz GZEKVJHDPAOWCL-RYUDHWBXSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422754425 387657937 /nfs/dbraw/zinc/65/79/37/387657937.db2.gz GZEKVJHDPAOWCL-RYUDHWBXSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H](C[NH2+][C@H](C)C1CNC1)c1ccccc1 ZINC000422754422 387658927 /nfs/dbraw/zinc/65/89/27/387658927.db2.gz GZEKVJHDPAOWCL-NWDGAFQWSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000422754422 387658932 /nfs/dbraw/zinc/65/89/32/387658932.db2.gz GZEKVJHDPAOWCL-NWDGAFQWSA-N 1 3 218.344 1.988 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCCNc1ccccc1 ZINC000422756466 387661061 /nfs/dbraw/zinc/66/10/61/387661061.db2.gz LNWPQPFTCUAZHM-KBPBESRZSA-N 1 3 233.359 1.958 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCN(C)Cc1ccccc1 ZINC000422756561 387661467 /nfs/dbraw/zinc/66/14/67/387661467.db2.gz JASJJMUORMQZBC-KGLIPLIRSA-N 1 3 249.402 1.834 20 0 BDADHO CC[C@H](NCCN1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422759867 387663049 /nfs/dbraw/zinc/66/30/49/387663049.db2.gz KGYDOQWBEYIDGS-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO CCN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422759522 387664124 /nfs/dbraw/zinc/66/41/24/387664124.db2.gz PKCFATHUENIOKW-QNMSZWNNSA-N 1 3 237.391 1.343 20 0 BDADHO CSCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422765954 387666779 /nfs/dbraw/zinc/66/67/79/387666779.db2.gz WNSMSIIAWMOKDZ-ZACCUICWSA-N 1 3 214.378 1.612 20 0 BDADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000422770156 387670137 /nfs/dbraw/zinc/67/01/37/387670137.db2.gz UKRATVYCCOXEHR-STQMWFEESA-N 1 3 225.380 1.332 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CCCC1 ZINC000422770156 387670139 /nfs/dbraw/zinc/67/01/39/387670139.db2.gz UKRATVYCCOXEHR-STQMWFEESA-N 1 3 225.380 1.332 20 0 BDADHO COC[C@H](NCCC[NH+]1CCCCC1)C1CC1 ZINC000126037353 387670248 /nfs/dbraw/zinc/67/02/48/387670248.db2.gz MJJAKJPRNPPJEU-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422773240 387671131 /nfs/dbraw/zinc/67/11/31/387671131.db2.gz ZNFFDQKSURHMMS-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1COc2ccccc2C1 ZINC000422775980 387673586 /nfs/dbraw/zinc/67/35/86/387673586.db2.gz CTSSMKVHYDBWSA-LOWVWBTDSA-N 1 3 234.343 1.706 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@@H](C)C2C[NH2+]C2)C12CCC2 ZINC000422780021 387678562 /nfs/dbraw/zinc/67/85/62/387678562.db2.gz JQUWIKLDBGNAIU-CYZMBNFOSA-N 1 3 238.375 1.532 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CNC2)C12CCC2 ZINC000422780021 387678569 /nfs/dbraw/zinc/67/85/69/387678569.db2.gz JQUWIKLDBGNAIU-CYZMBNFOSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000422783526 387683500 /nfs/dbraw/zinc/68/35/00/387683500.db2.gz OFQAFGBGCOVDOF-VOAKCMCISA-N 1 3 225.380 1.057 20 0 BDADHO COCCOCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422784106 387684553 /nfs/dbraw/zinc/68/45/53/387684553.db2.gz LVSBYRFHSCOLOL-CHWSQXEVSA-N 1 3 244.379 1.017 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000422786776 387686534 /nfs/dbraw/zinc/68/65/34/387686534.db2.gz QTEPXAWQKDQFSW-WHOHXGKFSA-N 1 3 212.337 1.007 20 0 BDADHO CC[C@@H](NC[C@@H](C)N(C)C)[C@@H]1CCC[NH2+]1 ZINC000422743537 387690488 /nfs/dbraw/zinc/69/04/88/387690488.db2.gz RQRNQHIFNPKYEI-UTUOFQBUSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](O)Cc1ccccc1 ZINC000422743876 387690872 /nfs/dbraw/zinc/69/08/72/387690872.db2.gz SBJKNGHRDXAMTI-SGMGOOAPSA-N 1 3 236.359 1.305 20 0 BDADHO [NH3+]CC1CCC(NCc2ccco2)CC1 ZINC000422742882 387691290 /nfs/dbraw/zinc/69/12/90/387691290.db2.gz HCMOLXRCHHIKEW-UHFFFAOYSA-N 1 3 208.305 1.887 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCOC1 ZINC000356902904 387744980 /nfs/dbraw/zinc/74/49/80/387744980.db2.gz RVJJALCLYXCDIZ-TZMCWYRMSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@@H](NCCN1CCCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862091 387745278 /nfs/dbraw/zinc/74/52/78/387745278.db2.gz NJVMRFHSXYPWOY-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCC(C)CC1 ZINC000422867009 387746911 /nfs/dbraw/zinc/74/69/11/387746911.db2.gz RNQDATOUGXOURR-QWHCGFSZSA-N 1 3 227.396 1.434 20 0 BDADHO Cc1cc(F)ccc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422864969 387747330 /nfs/dbraw/zinc/74/73/30/387747330.db2.gz NZLJPWDNRSIGMS-NSHDSACASA-N 1 3 236.334 1.874 20 0 BDADHO Cc1cc(F)ccc1CC[NH2+][C@@H](C)C1CNC1 ZINC000422864969 387747333 /nfs/dbraw/zinc/74/73/33/387747333.db2.gz NZLJPWDNRSIGMS-NSHDSACASA-N 1 3 236.334 1.874 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1CCc2ccccc2C1 ZINC000643526184 387748570 /nfs/dbraw/zinc/74/85/70/387748570.db2.gz SERSRVNBLGIYGY-GWCFXTLKSA-N 1 3 204.317 1.481 20 0 BDADHO C[C@@H](CN[C@@H](C)C1C[NH2+]C1)N1CCC[C@@H](C)C1 ZINC000422869791 387750786 /nfs/dbraw/zinc/75/07/86/387750786.db2.gz YATXJORIZGMFBL-AGIUHOORSA-N 1 3 239.407 1.304 20 0 BDADHO COCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422873462 387752764 /nfs/dbraw/zinc/75/27/64/387752764.db2.gz AKUYUUNTZGXYCR-UONOGXRCSA-N 1 3 234.343 1.802 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000422873313 387753688 /nfs/dbraw/zinc/75/36/88/387753688.db2.gz KZKOYQCRYSZTAB-MPPDQPJWSA-N 1 3 225.380 1.185 20 0 BDADHO CO[C@@H]1CCCC[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000422796277 387698447 /nfs/dbraw/zinc/69/84/47/387698447.db2.gz YBEIFGLXSUAMHU-MVWJERBFSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000422796277 387698456 /nfs/dbraw/zinc/69/84/56/387698456.db2.gz YBEIFGLXSUAMHU-MVWJERBFSA-N 1 3 212.337 1.142 20 0 BDADHO CC(=O)Nc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422802599 387702226 /nfs/dbraw/zinc/70/22/26/387702226.db2.gz HOWPJGSCFUAYEA-MNOVXSKESA-N 1 3 249.358 1.860 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1CCOCC1 ZINC000422802456 387702707 /nfs/dbraw/zinc/70/27/07/387702707.db2.gz BNHJDZZMPFVQPE-MDZLAQPJSA-N 1 3 228.380 1.907 20 0 BDADHO COCc1ccccc1C[NH2+][C@H]1CCC[C@H]1N ZINC000422806861 387705203 /nfs/dbraw/zinc/70/52/03/387705203.db2.gz NZNGIQFJAODQNQ-KGLIPLIRSA-N 1 3 234.343 1.802 20 0 BDADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422810648 387707838 /nfs/dbraw/zinc/70/78/38/387707838.db2.gz SAIIXTMUNQHSHA-ZGVCCVRISA-N 1 3 226.364 1.530 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@H](C)C[C@H](C)N ZINC000422813075 387711103 /nfs/dbraw/zinc/71/11/03/387711103.db2.gz RKBFOGPGALYIJU-NWDGAFQWSA-N 1 3 230.396 1.891 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNCC1 ZINC000643521782 387715810 /nfs/dbraw/zinc/71/58/10/387715810.db2.gz BNGGJORYQXSYBG-IHRRRGAJSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000422820268 387716721 /nfs/dbraw/zinc/71/67/21/387716721.db2.gz PSSNENWBHBVAMP-WOPDTQHZSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000422818981 387717476 /nfs/dbraw/zinc/71/74/76/387717476.db2.gz LWLZCJYNEDKPHL-GUBZILKMSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCSC1 ZINC000422818981 387717481 /nfs/dbraw/zinc/71/74/81/387717481.db2.gz LWLZCJYNEDKPHL-GUBZILKMSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](NC[C@@]1(C)CCCC[C@H]1O)C1C[NH2+]C1 ZINC000422818695 387717860 /nfs/dbraw/zinc/71/78/60/387717860.db2.gz GXFFTKIMJFPOLM-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)C1CNC1 ZINC000422818695 387717866 /nfs/dbraw/zinc/71/78/66/387717866.db2.gz GXFFTKIMJFPOLM-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nccs1 ZINC000422839820 387730431 /nfs/dbraw/zinc/73/04/31/387730431.db2.gz RMFKMTXRUZIBNA-QWRGUYRKSA-N 1 3 239.388 1.663 20 0 BDADHO CC[C@@H](CCO)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422858931 387741844 /nfs/dbraw/zinc/74/18/44/387741844.db2.gz GSXBLUAZKJHEMO-FRRDWIJNSA-N 1 3 228.380 1.515 20 0 BDADHO CN1CCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422897806 387764904 /nfs/dbraw/zinc/76/49/04/387764904.db2.gz CXBHBOLGZQBFBY-FRRDWIJNSA-N 1 3 225.380 1.330 20 0 BDADHO CN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000422897808 387765523 /nfs/dbraw/zinc/76/55/23/387765523.db2.gz CXBHBOLGZQBFBY-UPJWGTAASA-N 1 3 225.380 1.330 20 0 BDADHO CC[C@H](O)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422894353 387766876 /nfs/dbraw/zinc/76/68/76/387766876.db2.gz SYFBSPITXQUFSA-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@H](O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422894353 387766878 /nfs/dbraw/zinc/76/68/78/387766878.db2.gz SYFBSPITXQUFSA-WOPDTQHZSA-N 1 3 214.353 1.125 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422909693 387768325 /nfs/dbraw/zinc/76/83/25/387768325.db2.gz OSZGGGJHECWEGY-BFHYXJOUSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000643528162 387774322 /nfs/dbraw/zinc/77/43/22/387774322.db2.gz DTJWBSYKRXWURU-KCQAQPDRSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000643528162 387774328 /nfs/dbraw/zinc/77/43/28/387774328.db2.gz DTJWBSYKRXWURU-KCQAQPDRSA-N 1 3 247.386 1.759 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCSC1 ZINC000422921728 387775790 /nfs/dbraw/zinc/77/57/90/387775790.db2.gz QSPBVPWGVMRABH-AXFHLTTASA-N 1 3 214.378 1.742 20 0 BDADHO CC(C)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422919337 387775977 /nfs/dbraw/zinc/77/59/77/387775977.db2.gz JPUOQAONGWAHGR-RWMBFGLXSA-N 1 3 240.391 1.765 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](CCC)N(C)C ZINC000422900911 387785526 /nfs/dbraw/zinc/78/55/26/387785526.db2.gz KHZJJHONDZPAHT-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000422900937 387785672 /nfs/dbraw/zinc/78/56/72/387785672.db2.gz KJUYHTWXNQQSSY-BJDJZHNGSA-N 1 3 214.353 1.659 20 0 BDADHO CC[C@H](NC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422900101 387785742 /nfs/dbraw/zinc/78/57/42/387785742.db2.gz PWHYNRVNCSDRPS-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO OC1CC(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000432408932 387786834 /nfs/dbraw/zinc/78/68/34/387786834.db2.gz DJDBOEGSUPEKGV-CEUNDQEZSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000432408932 387786839 /nfs/dbraw/zinc/78/68/39/387786839.db2.gz DJDBOEGSUPEKGV-CEUNDQEZSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432408932 387786843 /nfs/dbraw/zinc/78/68/43/387786843.db2.gz DJDBOEGSUPEKGV-CEUNDQEZSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1CNC1 ZINC000422987171 387796492 /nfs/dbraw/zinc/79/64/92/387796492.db2.gz FOHNCJIBDDFUMC-ZWMNYZCKSA-N 1 3 242.366 1.770 20 0 BDADHO C[C@H](NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1C[NH2+]C1 ZINC000422987171 387796495 /nfs/dbraw/zinc/79/64/95/387796495.db2.gz FOHNCJIBDDFUMC-ZWMNYZCKSA-N 1 3 242.366 1.770 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CNCC[C@@H]2C)[nH]n1 ZINC000422991878 387800941 /nfs/dbraw/zinc/80/09/41/387800941.db2.gz QGYDJSZMVKAQFH-OUJBWJOFSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)n[nH]1 ZINC000422991878 387800943 /nfs/dbraw/zinc/80/09/43/387800943.db2.gz QGYDJSZMVKAQFH-OUJBWJOFSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)[nH]n1 ZINC000422991878 387800945 /nfs/dbraw/zinc/80/09/45/387800945.db2.gz QGYDJSZMVKAQFH-OUJBWJOFSA-N 1 3 236.363 1.237 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CNCC[C@@H]2C)n[nH]1 ZINC000422991878 387800947 /nfs/dbraw/zinc/80/09/47/387800947.db2.gz QGYDJSZMVKAQFH-OUJBWJOFSA-N 1 3 236.363 1.237 20 0 BDADHO COc1cccc(CC[NH2+][C@H]2CCC[C@@H]2CN)n1 ZINC000423001249 387805155 /nfs/dbraw/zinc/80/51/55/387805155.db2.gz DIRYEWOYXIIZGY-YPMHNXCESA-N 1 3 249.358 1.350 20 0 BDADHO COc1cccc(CCN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423001249 387805156 /nfs/dbraw/zinc/80/51/56/387805156.db2.gz DIRYEWOYXIIZGY-YPMHNXCESA-N 1 3 249.358 1.350 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1ccccn1 ZINC000423000038 387805527 /nfs/dbraw/zinc/80/55/27/387805527.db2.gz ULKDPPQFERMXHI-NWDGAFQWSA-N 1 3 221.348 1.730 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCCc1ccccn1 ZINC000423000038 387805531 /nfs/dbraw/zinc/80/55/31/387805531.db2.gz ULKDPPQFERMXHI-NWDGAFQWSA-N 1 3 221.348 1.730 20 0 BDADHO CC(C)CN1CCCC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000422997885 387805738 /nfs/dbraw/zinc/80/57/38/387805738.db2.gz OYCDGVCRKYDTFS-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2CN)n1 ZINC000423001248 387805900 /nfs/dbraw/zinc/80/59/00/387805900.db2.gz DIRYEWOYXIIZGY-WCQYABFASA-N 1 3 249.358 1.350 20 0 BDADHO COc1cccc(CCN[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000423001248 387805904 /nfs/dbraw/zinc/80/59/04/387805904.db2.gz DIRYEWOYXIIZGY-WCQYABFASA-N 1 3 249.358 1.350 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccn1 ZINC000423002232 387806655 /nfs/dbraw/zinc/80/66/55/387806655.db2.gz YOZKAPMATMVCAO-GXTWGEPZSA-N 1 3 233.359 1.731 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423001908 387807605 /nfs/dbraw/zinc/80/76/05/387807605.db2.gz FGTCFQYDXAGXSO-IJLUTSLNSA-N 1 3 216.369 1.501 20 0 BDADHO CC(C)N(C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422880427 387758100 /nfs/dbraw/zinc/75/81/00/387758100.db2.gz OBCGODZNFONGFB-WDEREUQCSA-N 1 3 201.358 1.042 20 0 BDADHO COCCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCC1 ZINC000422887954 387760895 /nfs/dbraw/zinc/76/08/95/387760895.db2.gz LUOVBETXPCDZCK-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOCC1CC1 ZINC000422888312 387761194 /nfs/dbraw/zinc/76/11/94/387761194.db2.gz MOCGFPYGUVJNAI-VHSXEESVSA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)CSCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423009107 387831449 /nfs/dbraw/zinc/83/14/49/387831449.db2.gz CEUZBCLYSTXSCN-WDEREUQCSA-N 1 3 216.394 1.845 20 0 BDADHO C[C@@H](CO)CCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423015796 387838198 /nfs/dbraw/zinc/83/81/98/387838198.db2.gz RTIQGVUEINFNPF-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO Cc1cncc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423016263 387839318 /nfs/dbraw/zinc/83/93/18/387839318.db2.gz SOPLCXITTMVFRR-CHWSQXEVSA-N 1 3 219.332 1.607 20 0 BDADHO CC1(C)C[C@@H]1N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423027737 387843336 /nfs/dbraw/zinc/84/33/36/387843336.db2.gz POQFPFSOLGINEF-XQHKEYJVSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000423031535 387846631 /nfs/dbraw/zinc/84/66/31/387846631.db2.gz LGIRFAKMHDCHKU-FRRDWIJNSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](NC[C@@H]1CCCCS1)C1C[NH2+]C1 ZINC000423029550 387847280 /nfs/dbraw/zinc/84/72/80/387847280.db2.gz IIOMLOIGDFPJIE-ONGXEEELSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCCS1)C1CNC1 ZINC000423029550 387847283 /nfs/dbraw/zinc/84/72/83/387847283.db2.gz IIOMLOIGDFPJIE-ONGXEEELSA-N 1 3 214.378 1.470 20 0 BDADHO CN(CCC[NH3+])CCCOc1ccccc1 ZINC000061815625 387847667 /nfs/dbraw/zinc/84/76/67/387847667.db2.gz QKEHGHNGOMUXMA-UHFFFAOYSA-N 1 3 222.332 1.736 20 0 BDADHO CC1=CCN(CC[NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000423039796 387852714 /nfs/dbraw/zinc/85/27/14/387852714.db2.gz RRKRPCLMBKIGJB-KGLIPLIRSA-N 1 3 237.391 1.226 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000423038247 387853949 /nfs/dbraw/zinc/85/39/49/387853949.db2.gz ODGQFBPCZNYXMQ-WDEREUQCSA-N 1 3 216.369 1.765 20 0 BDADHO COC1CCC(CC[NH2+]C2CCNCC2)CC1 ZINC000423038446 387854137 /nfs/dbraw/zinc/85/41/37/387854137.db2.gz OISKBAVKHBUNTM-UHFFFAOYSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1CCCOC1 ZINC000423048189 387858615 /nfs/dbraw/zinc/85/86/15/387858615.db2.gz VVZSGYXCGCBFDH-REWJHTLYSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@@H]1CCCCO1 ZINC000423051012 387859211 /nfs/dbraw/zinc/85/92/11/387859211.db2.gz ZLNKGRILUBWWAU-BJDJZHNGSA-N 1 3 214.353 1.659 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423054704 387862230 /nfs/dbraw/zinc/86/22/30/387862230.db2.gz CCFVKDALUDVPNU-QSLWVIQJSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H](CCO)c1ccco1 ZINC000423055951 387863321 /nfs/dbraw/zinc/86/33/21/387863321.db2.gz XHFYWTOULOTGIC-NEPJUHHUSA-N 1 3 240.347 1.810 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCC1(N(C)C)CCC1 ZINC000423063119 387867487 /nfs/dbraw/zinc/86/74/87/387867487.db2.gz VNGLZRGTHRVOBQ-MNOVXSKESA-N 1 3 213.369 1.186 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCCC1 ZINC000422965264 387813943 /nfs/dbraw/zinc/81/39/43/387813943.db2.gz OFIZJJDCORFBGH-UPJWGTAASA-N 1 3 225.380 1.330 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000527975285 387813898 /nfs/dbraw/zinc/81/38/98/387813898.db2.gz UAWZIGMUIPGTIQ-XQHKEYJVSA-N 1 3 226.364 1.484 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000527975285 387813902 /nfs/dbraw/zinc/81/39/02/387813902.db2.gz UAWZIGMUIPGTIQ-XQHKEYJVSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)SCCN[C@H]1CCC[C@@H]1[NH3+] ZINC000423103233 387890011 /nfs/dbraw/zinc/89/00/11/387890011.db2.gz GAIAWYHUNKYZNW-UWVGGRQHSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000423106912 387891977 /nfs/dbraw/zinc/89/19/77/387891977.db2.gz RQHKINRYOXASCU-SGMGOOAPSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](CO)CC1CCCC1 ZINC000423106912 387891982 /nfs/dbraw/zinc/89/19/82/387891982.db2.gz RQHKINRYOXASCU-SGMGOOAPSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@@H]1CC[N@H+](CCCN2CCCCC2)C[C@H]1O ZINC000444615769 387892773 /nfs/dbraw/zinc/89/27/73/387892773.db2.gz ZJDMBRNBCPNDAA-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1CC[N@@H+](CCCN2CCCCC2)C[C@H]1O ZINC000444615769 387892777 /nfs/dbraw/zinc/89/27/77/387892777.db2.gz ZJDMBRNBCPNDAA-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CCCN1CCC[C@H]1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423112240 387894962 /nfs/dbraw/zinc/89/49/62/387894962.db2.gz RUHTXIUUBSQILQ-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO OCC[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000444627464 387896144 /nfs/dbraw/zinc/89/61/44/387896144.db2.gz AGRVRQUSKUVPJG-CQSZACIVSA-N 1 3 240.391 1.709 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)c1ccncc1 ZINC000643460367 387875477 /nfs/dbraw/zinc/87/54/77/387875477.db2.gz WIPJVWSZUGCAER-KWCYVHTRSA-N 1 3 233.359 1.902 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423080329 387875751 /nfs/dbraw/zinc/87/57/51/387875751.db2.gz AAHXKGZGNUVVKJ-IRCOFANPSA-N 1 3 240.347 1.045 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000423080329 387875754 /nfs/dbraw/zinc/87/57/54/387875754.db2.gz AAHXKGZGNUVVKJ-IRCOFANPSA-N 1 3 240.347 1.045 20 0 BDADHO CC[C@@H]([NH2+]CCC1CC(O)C1)[C@@H]1CCCN1 ZINC000423076263 387876859 /nfs/dbraw/zinc/87/68/59/387876859.db2.gz QPNKDGAJMJXSIB-TUUUFIMRSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H](NCCC1CC(O)C1)[C@H]1CCCC[NH2+]1 ZINC000423075874 387877368 /nfs/dbraw/zinc/87/73/68/387877368.db2.gz POOVNXKZWNCKFK-YWPUVAFDSA-N 1 3 226.364 1.268 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000423084308 387878342 /nfs/dbraw/zinc/87/83/42/387878342.db2.gz HQGUDRDPGSSQMT-ZRUFSTJUSA-N 1 3 228.336 1.044 20 0 BDADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)C[C@H](C)N)C1 ZINC000423084308 387878343 /nfs/dbraw/zinc/87/83/43/387878343.db2.gz HQGUDRDPGSSQMT-ZRUFSTJUSA-N 1 3 228.336 1.044 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000423082706 387878599 /nfs/dbraw/zinc/87/85/99/387878599.db2.gz FPWRWKBSWNBVCS-WDEREUQCSA-N 1 3 228.405 1.860 20 0 BDADHO CCSCCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423116965 387898447 /nfs/dbraw/zinc/89/84/47/387898447.db2.gz SGGHRPCKKFBVEQ-VHSXEESVSA-N 1 3 202.367 1.599 20 0 BDADHO Cc1csc(CCN[C@@H](C)C[C@H](C)[NH3+])n1 ZINC000643460675 387885509 /nfs/dbraw/zinc/88/55/09/387885509.db2.gz CLQXORAIXOIFIK-IUCAKERBSA-N 1 3 227.377 1.709 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc2c[nH]nc2c1 ZINC000423098514 387886384 /nfs/dbraw/zinc/88/63/84/387886384.db2.gz CYSIRUYQPNAJKG-STQMWFEESA-N 1 3 244.342 1.575 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H](CO)CC1CCCC1 ZINC000423103394 387889011 /nfs/dbraw/zinc/88/90/11/387889011.db2.gz PJIJYSPKKLMWMZ-BFHYXJOUSA-N 1 3 240.391 1.645 20 0 BDADHO CCC[C@H](CN[C@H](C)C[C@H](C)[NH3+])OC ZINC000423142411 387918673 /nfs/dbraw/zinc/91/86/73/387918673.db2.gz AKBGJVLDILINTR-HBNTYKKESA-N 1 3 202.342 1.517 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCOC1 ZINC000423119757 387900140 /nfs/dbraw/zinc/90/01/40/387900140.db2.gz DPFROPYQVJFBJI-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000423119757 387900144 /nfs/dbraw/zinc/90/01/44/387900144.db2.gz DPFROPYQVJFBJI-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1N[C@H]1CCCOC1 ZINC000423118901 387901495 /nfs/dbraw/zinc/90/14/95/387901495.db2.gz CODPDARBERRPKO-SDDRHHMPSA-N 1 3 212.337 1.415 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423127280 387904532 /nfs/dbraw/zinc/90/45/32/387904532.db2.gz PDYUPKCQRXAKHO-REWJHTLYSA-N 1 3 240.391 1.502 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423134187 387911182 /nfs/dbraw/zinc/91/11/82/387911182.db2.gz DMIQXNUANIWUEO-AVGNSLFASA-N 1 3 226.364 1.112 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCC1(F)CCC1 ZINC000423134074 387912543 /nfs/dbraw/zinc/91/25/43/387912543.db2.gz WJCCYZKNHGWJST-UWVGGRQHSA-N 1 3 200.301 1.738 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCC1(F)CCC1 ZINC000423134076 387912803 /nfs/dbraw/zinc/91/28/03/387912803.db2.gz WJCCYZKNHGWJST-ZJUUUORDSA-N 1 3 200.301 1.738 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1N[C@@H]1CCC[C@@H]1F ZINC000423144761 387919668 /nfs/dbraw/zinc/91/96/68/387919668.db2.gz HWFNWFRVCCOKRO-WRWGMCAJSA-N 1 3 214.328 1.984 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000423153011 387931739 /nfs/dbraw/zinc/93/17/39/387931739.db2.gz MSKRHXHKTABGAT-LMLFDSFASA-N 1 3 200.326 1.269 20 0 BDADHO Cc1cccnc1CCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423155098 387935134 /nfs/dbraw/zinc/93/51/34/387935134.db2.gz PXUCBZRGBXGWLQ-GXTWGEPZSA-N 1 3 233.359 1.792 20 0 BDADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])C1(O)CCCC1 ZINC000423157866 387936041 /nfs/dbraw/zinc/93/60/41/387936041.db2.gz BTICYTLJJLWTHB-NEPJUHHUSA-N 1 3 240.391 1.787 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCC[C@H]1F ZINC000423144759 387920224 /nfs/dbraw/zinc/92/02/24/387920224.db2.gz HWFNWFRVCCOKRO-QCNOEVLYSA-N 1 3 214.328 1.984 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423167729 387952846 /nfs/dbraw/zinc/95/28/46/387952846.db2.gz FRRSZBOOCVAUCF-QJPTWQEYSA-N 1 3 214.353 1.376 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NCCCc1ccncc1 ZINC000424289537 387953407 /nfs/dbraw/zinc/95/34/07/387953407.db2.gz LVROXIHXUHMTPH-ZIAGYGMSSA-N 1 3 233.359 1.874 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000423168474 387955240 /nfs/dbraw/zinc/95/52/40/387955240.db2.gz XZTCFHUNCSWIKR-XDQVBPFNSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169888 387955531 /nfs/dbraw/zinc/95/55/31/387955531.db2.gz WUZQVCCSKFIOEN-UVYIHGJDSA-N 1 3 224.348 1.427 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000423159197 387938649 /nfs/dbraw/zinc/93/86/49/387938649.db2.gz FMZTYCOWCVHJIY-WRWGMCAJSA-N 1 3 212.337 1.412 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000423160036 387942168 /nfs/dbraw/zinc/94/21/68/387942168.db2.gz QHZLLDGSUBSZRG-IJLUTSLNSA-N 1 3 212.337 1.273 20 0 BDADHO CC[C@H](O)[C@H](CC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165744 387947261 /nfs/dbraw/zinc/94/72/61/387947261.db2.gz UUQLUMKFWSHTRC-RSMQCKGYSA-N 1 3 226.364 1.409 20 0 BDADHO Cc1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)nc1 ZINC000423165768 387947729 /nfs/dbraw/zinc/94/77/29/387947729.db2.gz QHEJUOSMWYLQDF-UKRRQHHQSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)nc1 ZINC000423165768 387947733 /nfs/dbraw/zinc/94/77/33/387947733.db2.gz QHEJUOSMWYLQDF-UKRRQHHQSA-N 1 3 247.386 1.910 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000423165719 387948110 /nfs/dbraw/zinc/94/81/10/387948110.db2.gz QEVVMHUCPSCKPZ-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)C1CCC1 ZINC000423165719 387948116 /nfs/dbraw/zinc/94/81/16/387948116.db2.gz QEVVMHUCPSCKPZ-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO COCC1(C[NH2+][C@H](C)C2CNC2)CCCC1 ZINC000423165027 387948356 /nfs/dbraw/zinc/94/83/56/387948356.db2.gz PJCRMAWFVNWDFE-LLVKDONJSA-N 1 3 226.364 1.391 20 0 BDADHO Cc1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)nc1 ZINC000423165766 387948533 /nfs/dbraw/zinc/94/85/33/387948533.db2.gz QHEJUOSMWYLQDF-HIFRSBDPSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCNCC[C@H]2C)nc1 ZINC000423165766 387948538 /nfs/dbraw/zinc/94/85/38/387948538.db2.gz QHEJUOSMWYLQDF-HIFRSBDPSA-N 1 3 247.386 1.910 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)[C@H](C)O1 ZINC000423178252 387963363 /nfs/dbraw/zinc/96/33/63/387963363.db2.gz IFODFJFSKHUZAQ-MEBFFEOJSA-N 1 3 240.391 1.778 20 0 BDADHO CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000423178714 387963954 /nfs/dbraw/zinc/96/39/54/387963954.db2.gz GLSIEARRKQVNDS-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO COc1ccc(C[C@@H](C)[NH2+]C2CCNCC2)cn1 ZINC000423178054 387965045 /nfs/dbraw/zinc/96/50/45/387965045.db2.gz FOWUQJSEAFKRPM-LLVKDONJSA-N 1 3 249.358 1.363 20 0 BDADHO COc1ccc(C[C@@H](C)NC2CC[NH2+]CC2)cn1 ZINC000423178054 387965046 /nfs/dbraw/zinc/96/50/46/387965046.db2.gz FOWUQJSEAFKRPM-LLVKDONJSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCCCC1)[C@@H]1CCCO1 ZINC000423181284 387967296 /nfs/dbraw/zinc/96/72/96/387967296.db2.gz OQDPSUPPYYXJLU-RYUDHWBXSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@H](NCC1([NH3+])CCCCC1)[C@@H]1CCCO1 ZINC000423181284 387967297 /nfs/dbraw/zinc/96/72/97/387967297.db2.gz OQDPSUPPYYXJLU-RYUDHWBXSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCCC[NH3+] ZINC000423197227 387981240 /nfs/dbraw/zinc/98/12/40/387981240.db2.gz YMGROEXRIOAHKP-NOZJJQNGSA-N 1 3 222.307 1.997 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)[NH2+]C1CCNCC1 ZINC000423189243 387974634 /nfs/dbraw/zinc/97/46/34/387974634.db2.gz QRDTYMBRQQWYCQ-CYBMUJFWSA-N 1 3 236.363 1.249 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)NC1CC[NH2+]CC1 ZINC000423189243 387974637 /nfs/dbraw/zinc/97/46/37/387974637.db2.gz QRDTYMBRQQWYCQ-CYBMUJFWSA-N 1 3 236.363 1.249 20 0 BDADHO C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2[NH2+]C1CCNCC1 ZINC000423190460 387975699 /nfs/dbraw/zinc/97/56/99/387975699.db2.gz SISMTPXGYQFRGM-FRRDWIJNSA-N 1 3 236.359 1.286 20 0 BDADHO C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2NC1CC[NH2+]CC1 ZINC000423190460 387975702 /nfs/dbraw/zinc/97/57/02/387975702.db2.gz SISMTPXGYQFRGM-FRRDWIJNSA-N 1 3 236.359 1.286 20 0 BDADHO C[C@H](NCCC[NH3+])c1ccccc1-n1ccnn1 ZINC000423191147 387976444 /nfs/dbraw/zinc/97/64/44/387976444.db2.gz OLOBUCRRGHGXSH-NSHDSACASA-N 1 3 245.330 1.267 20 0 BDADHO CNCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423202251 387987640 /nfs/dbraw/zinc/98/76/40/387987640.db2.gz QLBJZNBLAIEPCB-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO CNCCC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423205012 387991326 /nfs/dbraw/zinc/99/13/26/387991326.db2.gz VAXQFKLIUXATQX-QJPTWQEYSA-N 1 3 242.363 1.163 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423207670 387993763 /nfs/dbraw/zinc/99/37/63/387993763.db2.gz YBQUCFOCKPCBAX-TUAOUCFPSA-N 1 3 226.364 1.389 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423207670 387993765 /nfs/dbraw/zinc/99/37/65/387993765.db2.gz YBQUCFOCKPCBAX-TUAOUCFPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NCCC[NH3+] ZINC000423197228 387982280 /nfs/dbraw/zinc/98/22/80/387982280.db2.gz YMGROEXRIOAHKP-RNCFNFMXSA-N 1 3 222.307 1.997 20 0 BDADHO C1C[C@@H]([NH2+][C@H]2CCC[C@H]([C@@H]3CCOC3)C2)CN1 ZINC000423214183 387997403 /nfs/dbraw/zinc/99/74/03/387997403.db2.gz MGHJNHAPLLYXMD-RFQIPJPRSA-N 1 3 238.375 1.533 20 0 BDADHO CCN1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000423216104 387998313 /nfs/dbraw/zinc/99/83/13/387998313.db2.gz PLCPOCSXHZXXPX-MWWBDVBNSA-N 1 3 237.391 1.199 20 0 BDADHO c1cnn(CCN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420405892 387999902 /nfs/dbraw/zinc/99/99/02/387999902.db2.gz UESZNRORZXTEIS-KBPBESRZSA-N 1 3 248.374 1.347 20 0 BDADHO C[C@@H](NC[C@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241590 388024045 /nfs/dbraw/zinc/02/40/45/388024045.db2.gz DHXWAKYHQVPOKZ-XBFCOCLRSA-N 1 3 233.359 1.417 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H](C)c1cccc(CO)c1 ZINC000423226796 388011830 /nfs/dbraw/zinc/01/18/30/388011830.db2.gz SIKZQYCGIOSGNF-QWRGUYRKSA-N 1 3 222.332 1.567 20 0 BDADHO C[NH2+]CCN[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000423228077 388013831 /nfs/dbraw/zinc/01/38/31/388013831.db2.gz YCCAZDZJTJOUQN-UKRRQHHQSA-N 1 3 247.386 1.458 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423228407 388013848 /nfs/dbraw/zinc/01/38/48/388013848.db2.gz ZLZHICYQMQXHPZ-XDQVBPFNSA-N 1 3 240.391 1.909 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423230287 388015944 /nfs/dbraw/zinc/01/59/44/388015944.db2.gz DFKOYHSFRLBGGT-SDDRHHMPSA-N 1 3 242.363 1.163 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@@H]1CCCF ZINC000423237799 388020664 /nfs/dbraw/zinc/02/06/64/388020664.db2.gz DVQQKYADCGLPBC-GHMZBOCLSA-N 1 3 202.317 1.714 20 0 BDADHO Cc1ccc(O)c(CNC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000108428073 388033196 /nfs/dbraw/zinc/03/31/96/388033196.db2.gz QHKBABHUGRCVOC-LBPRGKRZSA-N 1 3 249.358 1.527 20 0 BDADHO Cc1ccc(O)c(CNC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000108428073 388033199 /nfs/dbraw/zinc/03/31/99/388033199.db2.gz QHKBABHUGRCVOC-LBPRGKRZSA-N 1 3 249.358 1.527 20 0 BDADHO C[C@@H](NCC[C@@H]1CC[NH2+]C1)c1ccc(F)cn1 ZINC000423254052 388035652 /nfs/dbraw/zinc/03/56/52/388035652.db2.gz WWZGUARRXDEGEE-MNOVXSKESA-N 1 3 237.322 1.871 20 0 BDADHO CNC[C@H](C)C[NH2+]C1CCC(COC)CC1 ZINC000423256566 388036387 /nfs/dbraw/zinc/03/63/87/388036387.db2.gz CAFMQCANKRPKPH-HIFPTAJRSA-N 1 3 228.380 1.637 20 0 BDADHO N[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423254825 388036824 /nfs/dbraw/zinc/03/68/24/388036824.db2.gz ZPQPPKLTCIMIQG-YNEHKIRRSA-N 1 3 219.332 1.156 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H](C[NH3+])CC(C)C ZINC000423258848 388038480 /nfs/dbraw/zinc/03/84/80/388038480.db2.gz CQKILUJNGMWZLA-GMTAPVOTSA-N 1 3 202.342 1.373 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](N)c1ccccc1 ZINC000423246474 388030175 /nfs/dbraw/zinc/03/01/75/388030175.db2.gz KCVFCUZBPNBVKW-LOWVWBTDSA-N 1 3 221.348 1.402 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423273367 388052649 /nfs/dbraw/zinc/05/26/49/388052649.db2.gz KLKBNLSEOJITEF-LPWJVIDDSA-N 1 3 240.391 1.763 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@H]1CCOC1 ZINC000423274440 388055042 /nfs/dbraw/zinc/05/50/42/388055042.db2.gz KMUFSTWRWLPBDQ-ZOBORPQBSA-N 1 3 240.391 1.909 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423274330 388055766 /nfs/dbraw/zinc/05/57/66/388055766.db2.gz LZDJEPAWLZLVJC-RVMXOQNASA-N 1 3 240.391 1.635 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423274330 388055770 /nfs/dbraw/zinc/05/57/70/388055770.db2.gz LZDJEPAWLZLVJC-RVMXOQNASA-N 1 3 240.391 1.635 20 0 BDADHO Cc1nccnc1[C@H](C)NCC[C@@H]1CCC[NH2+]C1 ZINC000423283971 388067634 /nfs/dbraw/zinc/06/76/34/388067634.db2.gz XVHZPHKGOZLECD-AAEUAGOBSA-N 1 3 248.374 1.825 20 0 BDADHO CC(C)[C@H](N)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423284821 388069099 /nfs/dbraw/zinc/06/90/99/388069099.db2.gz YQGOBICJZMKQDW-DMDPSCGWSA-N 1 3 225.380 1.185 20 0 BDADHO C[C@@H]([NH2+]CC(C)(C)N)c1cccc(CO)c1 ZINC000423287626 388073326 /nfs/dbraw/zinc/07/33/26/388073326.db2.gz NMLVIDNDOQRHAG-SNVBAGLBSA-N 1 3 222.332 1.567 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385517 388077902 /nfs/dbraw/zinc/07/79/02/388077902.db2.gz HVSZJRVVXBQCTK-XQQFMLRXSA-N 1 3 224.348 1.239 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000447595101 388080988 /nfs/dbraw/zinc/08/09/88/388080988.db2.gz LCMUAFHEVNDSEK-KBPBESRZSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]CCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000086930142 388111279 /nfs/dbraw/zinc/11/12/79/388111279.db2.gz RBPUKRBPGHCNQQ-QWHCGFSZSA-N 1 3 225.380 1.155 20 0 BDADHO C[NH+]1CCC2(CC1)CN(CCCCF)CCO2 ZINC000646106567 388143830 /nfs/dbraw/zinc/14/38/30/388143830.db2.gz AOCQWKAUBDJMHW-UHFFFAOYSA-N 1 3 244.354 1.533 20 0 BDADHO CCc1cc(N[C@H]2CCCN(C)[C@@H]2C)cc[nH+]1 ZINC000450437962 388256096 /nfs/dbraw/zinc/25/60/96/388256096.db2.gz LRWVUDYWTYHLBA-RISCZKNCSA-N 1 3 233.359 1.961 20 0 BDADHO CCC[C@@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000489468822 388217361 /nfs/dbraw/zinc/21/73/61/388217361.db2.gz JIIQQCIQMBNPBF-GXFFZTMASA-N 1 3 249.358 1.450 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000451813588 388297630 /nfs/dbraw/zinc/29/76/30/388297630.db2.gz RGAJWKZKVPSARJ-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1COCC1(C)C ZINC000451813588 388297632 /nfs/dbraw/zinc/29/76/32/388297632.db2.gz RGAJWKZKVPSARJ-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@@H]1COCC1(C)C ZINC000451813588 388297633 /nfs/dbraw/zinc/29/76/33/388297633.db2.gz RGAJWKZKVPSARJ-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[C@]1(C)C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000397217744 388342735 /nfs/dbraw/zinc/34/27/35/388342735.db2.gz DDWHWIYCAJQPKU-MJBXVCDLSA-N 1 3 240.391 1.467 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)c2ccccc21 ZINC000315997613 388404954 /nfs/dbraw/zinc/40/49/54/388404954.db2.gz QDSIDPODUXGHTN-KFWWJZLASA-N 1 3 246.354 1.882 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCn2cccn2)C1 ZINC000163723304 388366122 /nfs/dbraw/zinc/36/61/22/388366122.db2.gz WKOXTYDTZYMVKW-RYUDHWBXSA-N 1 3 222.336 1.133 20 0 BDADHO CCN(CC)CC(=O)NCC1([NH3+])CCCCC1 ZINC000236841863 388384508 /nfs/dbraw/zinc/38/45/08/388384508.db2.gz LYVNJJKYBMLZAK-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236900766 388386108 /nfs/dbraw/zinc/38/61/08/388386108.db2.gz QGVUFAYQTURSRV-GXFFZTMASA-N 1 3 249.358 1.718 20 0 BDADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](N)CC ZINC000236991619 388387155 /nfs/dbraw/zinc/38/71/55/388387155.db2.gz XOHZDXCUMKFMOX-LBPRGKRZSA-N 1 3 243.395 1.352 20 0 BDADHO CC1(C)CN[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578681 388387208 /nfs/dbraw/zinc/38/72/08/388387208.db2.gz AUHCCJZWOAOTJB-NSHDSACASA-N 1 3 233.315 1.082 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccccc1C[NH2+]C ZINC000236956248 388387308 /nfs/dbraw/zinc/38/73/08/388387308.db2.gz NNLQILMQVBJGQR-JTQLQIEISA-N 1 3 221.304 1.082 20 0 BDADHO CNCc1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000237069359 388388749 /nfs/dbraw/zinc/38/87/49/388388749.db2.gz WBCSRNIIADXMLQ-JTQLQIEISA-N 1 3 235.331 1.200 20 0 BDADHO NCc1cccc(NC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000646579177 388389209 /nfs/dbraw/zinc/38/92/09/388389209.db2.gz UAJGXECNFFMFQV-LLVKDONJSA-N 1 3 247.342 1.474 20 0 BDADHO NC[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965006 388395804 /nfs/dbraw/zinc/39/58/04/388395804.db2.gz PYNJJRIFSKPJHT-NXEZZACHSA-N 1 3 218.291 1.702 20 0 BDADHO NC[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965006 388395807 /nfs/dbraw/zinc/39/58/07/388395807.db2.gz PYNJJRIFSKPJHT-NXEZZACHSA-N 1 3 218.291 1.702 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965006 388395809 /nfs/dbraw/zinc/39/58/09/388395809.db2.gz PYNJJRIFSKPJHT-NXEZZACHSA-N 1 3 218.291 1.702 20 0 BDADHO N[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300971452 388396735 /nfs/dbraw/zinc/39/67/35/388396735.db2.gz QSYVYOQPJIVBPD-DTWKUNHWSA-N 1 3 204.264 1.455 20 0 BDADHO N[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300971452 388396736 /nfs/dbraw/zinc/39/67/36/388396736.db2.gz QSYVYOQPJIVBPD-DTWKUNHWSA-N 1 3 204.264 1.455 20 0 BDADHO CN(CC1CC[NH+](C)CC1)CC1(F)CC1 ZINC000525977936 388441418 /nfs/dbraw/zinc/44/14/18/388441418.db2.gz KYTHBDKFTXXUDP-UHFFFAOYSA-N 1 3 214.328 1.762 20 0 BDADHO CC(C)(C[NH+]1CCCC1)NCCn1cccn1 ZINC000308636898 388445949 /nfs/dbraw/zinc/44/59/49/388445949.db2.gz SADXDRGCUYTTBZ-UHFFFAOYSA-N 1 3 236.363 1.347 20 0 BDADHO CC(C)CCOCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405315206 388458851 /nfs/dbraw/zinc/45/88/51/388458851.db2.gz OYJSJGZANMMTTF-VXGBXAGGSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CCOCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000405315206 388458853 /nfs/dbraw/zinc/45/88/53/388458853.db2.gz OYJSJGZANMMTTF-VXGBXAGGSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H](C[NH2+]C1CCSCC1)CN(C)C ZINC000336686640 388462417 /nfs/dbraw/zinc/46/24/17/388462417.db2.gz LOMSTFCJJIPKGF-SNVBAGLBSA-N 1 3 216.394 1.669 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)CN(C)C ZINC000336722153 388469342 /nfs/dbraw/zinc/46/93/42/388469342.db2.gz STRKIVJOUIRNCD-AAVRWANBSA-N 1 3 241.423 1.502 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000517177114 388540903 /nfs/dbraw/zinc/54/09/03/388540903.db2.gz WDDIIHURZIEMNI-RAIGVLPGSA-N 1 3 236.363 1.211 20 0 BDADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000517177114 388540906 /nfs/dbraw/zinc/54/09/06/388540906.db2.gz WDDIIHURZIEMNI-RAIGVLPGSA-N 1 3 236.363 1.211 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802282 388500001 /nfs/dbraw/zinc/50/00/01/388500001.db2.gz CWPXIRJMHNUOLI-AGIUHOORSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@H]2CCC[NH2+]C2)O1 ZINC000398025402 388514684 /nfs/dbraw/zinc/51/46/84/388514684.db2.gz AEOOEKWGGWYMHC-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH2+]C[C@H]2CCCNC2)O1 ZINC000398025402 388514687 /nfs/dbraw/zinc/51/46/87/388514687.db2.gz AEOOEKWGGWYMHC-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C(C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)[C@@H]1CCOC1 ZINC000348102676 388525879 /nfs/dbraw/zinc/52/58/79/388525879.db2.gz BFUXBZUKXWVOOC-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO C(C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)[C@@H]1CCOC1 ZINC000348102676 388525881 /nfs/dbraw/zinc/52/58/81/388525881.db2.gz BFUXBZUKXWVOOC-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000245452660 388580080 /nfs/dbraw/zinc/58/00/80/388580080.db2.gz QONSYUWEQSGOGJ-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000245452660 388580082 /nfs/dbraw/zinc/58/00/82/388580082.db2.gz QONSYUWEQSGOGJ-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C[C@H]1CCSC1)CC(C)(C)C[NH3+] ZINC000224618865 388666896 /nfs/dbraw/zinc/66/68/96/388666896.db2.gz MENHPUONKRSVCK-SNVBAGLBSA-N 1 3 216.394 1.656 20 0 BDADHO COC[C@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247690090 388668594 /nfs/dbraw/zinc/66/85/94/388668594.db2.gz VTMUJJHESIKAFA-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO COC[C@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247690090 388668598 /nfs/dbraw/zinc/66/85/98/388668598.db2.gz VTMUJJHESIKAFA-RYUDHWBXSA-N 1 3 214.353 1.295 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767324 388669398 /nfs/dbraw/zinc/66/93/98/388669398.db2.gz SUIYHDNQDAJEAX-FQUUOJAGSA-N 1 3 238.375 1.243 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2C=C[C@H](CO)C2)[C@@H](C)C1 ZINC000247767324 388669401 /nfs/dbraw/zinc/66/94/01/388669401.db2.gz SUIYHDNQDAJEAX-FQUUOJAGSA-N 1 3 238.375 1.243 20 0 BDADHO CNC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000530209241 388628218 /nfs/dbraw/zinc/62/82/18/388628218.db2.gz INLDJZCHGRYNTQ-LLVKDONJSA-N 1 3 210.365 1.964 20 0 BDADHO CNC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000530209241 388628219 /nfs/dbraw/zinc/62/82/19/388628219.db2.gz INLDJZCHGRYNTQ-LLVKDONJSA-N 1 3 210.365 1.964 20 0 BDADHO C[NH2+]C[C@H]1CCN(CC2CC(C)(C)C2)C1 ZINC000530209241 388628222 /nfs/dbraw/zinc/62/82/22/388628222.db2.gz INLDJZCHGRYNTQ-LLVKDONJSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)C1CCOCC1 ZINC000530221197 388632689 /nfs/dbraw/zinc/63/26/89/388632689.db2.gz OTNAFIFMJNTGMF-WCQYABFASA-N 1 3 238.375 1.676 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[NH2+]CC2)cn1 ZINC000530223999 388634091 /nfs/dbraw/zinc/63/40/91/388634091.db2.gz VCIBWZLBRPQGKK-ZDUSSCGKSA-N 1 3 249.358 1.364 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000530245357 388638739 /nfs/dbraw/zinc/63/87/39/388638739.db2.gz WOQSXJGNZPETJE-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO CCN(C)CC[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000247044220 388657487 /nfs/dbraw/zinc/65/74/87/388657487.db2.gz OJCBEEGCSPXYIX-STQMWFEESA-N 1 3 227.396 1.258 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CCOC)C1 ZINC000247097059 388659177 /nfs/dbraw/zinc/65/91/77/388659177.db2.gz PUFMRCOLNBXLQX-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000124404001 388662565 /nfs/dbraw/zinc/66/25/65/388662565.db2.gz NCFAYMQSUVPCPF-RFQIPJPRSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H](CO)[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000227536223 388752503 /nfs/dbraw/zinc/75/25/03/388752503.db2.gz UHWHQDPSACDLKS-XXILOJSOSA-N 1 3 206.289 1.102 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000249086420 388707873 /nfs/dbraw/zinc/70/78/73/388707873.db2.gz NGYUHBJVMORSSD-RFQIPJPRSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000249086420 388707875 /nfs/dbraw/zinc/70/78/75/388707875.db2.gz NGYUHBJVMORSSD-RFQIPJPRSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@@H]1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000249086420 388707877 /nfs/dbraw/zinc/70/78/77/388707877.db2.gz NGYUHBJVMORSSD-RFQIPJPRSA-N 1 3 238.375 1.364 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000249489796 388723617 /nfs/dbraw/zinc/72/36/17/388723617.db2.gz VBVHIQYDJUAVFV-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000249489796 388723620 /nfs/dbraw/zinc/72/36/20/388723620.db2.gz VBVHIQYDJUAVFV-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000249489796 388723622 /nfs/dbraw/zinc/72/36/22/388723622.db2.gz VBVHIQYDJUAVFV-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000249489796 388723624 /nfs/dbraw/zinc/72/36/24/388723624.db2.gz VBVHIQYDJUAVFV-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCc1nccs1 ZINC000252714539 388774889 /nfs/dbraw/zinc/77/48/89/388774889.db2.gz SFHXAKUBPBUYRE-GHMZBOCLSA-N 1 3 239.388 1.615 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCc1nccs1 ZINC000252714539 388774892 /nfs/dbraw/zinc/77/48/92/388774892.db2.gz SFHXAKUBPBUYRE-GHMZBOCLSA-N 1 3 239.388 1.615 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCCO ZINC000229109133 388780605 /nfs/dbraw/zinc/78/06/05/388780605.db2.gz WGXCUJALEJBVFY-NWDGAFQWSA-N 1 3 214.353 1.256 20 0 BDADHO CSCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000229209188 388782818 /nfs/dbraw/zinc/78/28/18/388782818.db2.gz LKTXRHXXOPQOJW-MNOVXSKESA-N 1 3 216.394 1.847 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C)CC2)CCN1C ZINC000093978071 388857170 /nfs/dbraw/zinc/85/71/70/388857170.db2.gz AHOYTSCOKMUKDO-AAEUAGOBSA-N 1 3 225.380 1.153 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCNC2)C1 ZINC000564440435 388875666 /nfs/dbraw/zinc/87/56/66/388875666.db2.gz FHHOQZCXAZQGPQ-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO COCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000564986140 388905420 /nfs/dbraw/zinc/90/54/20/388905420.db2.gz GOUOXSNCXHZQTC-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO COCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000564986140 388905423 /nfs/dbraw/zinc/90/54/23/388905423.db2.gz GOUOXSNCXHZQTC-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000565227243 388929307 /nfs/dbraw/zinc/92/93/07/388929307.db2.gz WWUUZMURQUTUOO-AGIUHOORSA-N 1 3 242.407 1.889 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000565227243 388929310 /nfs/dbraw/zinc/92/93/10/388929310.db2.gz WWUUZMURQUTUOO-AGIUHOORSA-N 1 3 242.407 1.889 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000565718151 388966295 /nfs/dbraw/zinc/96/62/95/388966295.db2.gz HKONPHPLPALHIG-IJLUTSLNSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000565718151 388966292 /nfs/dbraw/zinc/96/62/92/388966292.db2.gz HKONPHPLPALHIG-IJLUTSLNSA-N 1 3 241.379 1.055 20 0 BDADHO F[C@@H]1CCC[C@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000565480337 388946128 /nfs/dbraw/zinc/94/61/28/388946128.db2.gz CMVYSTMYFXBJRF-WOPDTQHZSA-N 1 3 214.328 1.999 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccco1 ZINC000565945506 388980498 /nfs/dbraw/zinc/98/04/98/388980498.db2.gz NMPISQNLJQTVQW-WDEREUQCSA-N 1 3 210.321 1.928 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccco1 ZINC000565945504 388980770 /nfs/dbraw/zinc/98/07/70/388980770.db2.gz NMPISQNLJQTVQW-MNOVXSKESA-N 1 3 210.321 1.928 20 0 BDADHO CC1(C)CCCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000565821635 388970737 /nfs/dbraw/zinc/97/07/37/388970737.db2.gz ROICKJGRNFTXHN-WHOHXGKFSA-N 1 3 208.349 1.763 20 0 BDADHO Cn1ccc(C[NH2+]CC2=CCN(C)CC2)c1 ZINC000271871595 389024849 /nfs/dbraw/zinc/02/48/49/389024849.db2.gz KMMDEQIJKBXISJ-UHFFFAOYSA-N 1 3 219.332 1.377 20 0 BDADHO CC[NH+]1CCC(NCCOCC(F)F)CC1 ZINC000231689138 535474629 /nfs/dbraw/zinc/47/46/29/535474629.db2.gz QRIKDWPLSRIDRZ-UHFFFAOYSA-N 1 3 236.306 1.342 20 0 BDADHO C([C@H]1CCSC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257739684 533376368 /nfs/dbraw/zinc/37/63/68/533376368.db2.gz YQQCCEWKYYBERD-OLZOCXBDSA-N 1 3 240.416 1.815 20 0 BDADHO C[C@@H](NCCN1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400764521 533393474 /nfs/dbraw/zinc/39/34/74/533393474.db2.gz YZOCQUYGBWYLQV-KGLIPLIRSA-N 1 3 239.407 1.448 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680105 322836212 /nfs/dbraw/zinc/83/62/12/322836212.db2.gz FYDBLLLSVHWVDL-WOPDTQHZSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)(CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960345 132343329 /nfs/dbraw/zinc/34/33/29/132343329.db2.gz LGSFABBFONXOKJ-UHFFFAOYSA-N 1 3 249.358 1.411 20 0 BDADHO C[NH+](C)CC1CCN(c2ccnc(CO)c2)CC1 ZINC000042396177 132351177 /nfs/dbraw/zinc/35/11/77/132351177.db2.gz FOPJJSHORMFWLG-UHFFFAOYSA-N 1 3 249.358 1.352 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000335942952 134018332 /nfs/dbraw/zinc/01/83/32/134018332.db2.gz UQJHZRCLMFYFMM-CEUNDQEZSA-N 1 3 240.391 1.752 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000335951367 134021632 /nfs/dbraw/zinc/02/16/32/134021632.db2.gz SFBMIWNZMOVQEQ-TZMCWYRMSA-N 1 3 239.407 1.399 20 0 BDADHO CCN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)O ZINC000352203204 134102728 /nfs/dbraw/zinc/10/27/28/134102728.db2.gz PYECPSNHHZGBTR-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CS[C@H](C)CN[C@@H]1CCC[NH2+]CC1 ZINC000169087163 134249239 /nfs/dbraw/zinc/24/92/39/134249239.db2.gz IGANERBFIMBAMH-NXEZZACHSA-N 1 3 202.367 1.470 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCCNCC1 ZINC000169087163 134249240 /nfs/dbraw/zinc/24/92/40/134249240.db2.gz IGANERBFIMBAMH-NXEZZACHSA-N 1 3 202.367 1.470 20 0 BDADHO C[C@@H]([NH2+]CCOCCN(C)C)C1CCCC1 ZINC000219306829 134281524 /nfs/dbraw/zinc/28/15/24/134281524.db2.gz PKAOQSSOGPJMOC-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1cccnc1 ZINC000219304803 134281546 /nfs/dbraw/zinc/28/15/46/134281546.db2.gz PTVBSBNVUZWLRG-GFCCVEGCSA-N 1 3 237.347 1.310 20 0 BDADHO CC(C)n1cc(CN2CCC(C[NH3+])CC2)cn1 ZINC000219453855 134285262 /nfs/dbraw/zinc/28/52/62/134285262.db2.gz LORAXTMDTAAJRK-UHFFFAOYSA-N 1 3 236.363 1.635 20 0 BDADHO C[C@H](CO)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000222534979 134332960 /nfs/dbraw/zinc/33/29/60/134332960.db2.gz BFEBXNJHRLCPOD-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CO)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000222534979 134332961 /nfs/dbraw/zinc/33/29/61/134332961.db2.gz BFEBXNJHRLCPOD-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO C([C@@H]1CCSC1)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000224623717 134349605 /nfs/dbraw/zinc/34/96/05/134349605.db2.gz GOMXQUDRBACKBA-SDDRHHMPSA-N 1 3 226.389 1.423 20 0 BDADHO C([C@@H]1CCSC1)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000224623717 134349606 /nfs/dbraw/zinc/34/96/06/134349606.db2.gz GOMXQUDRBACKBA-SDDRHHMPSA-N 1 3 226.389 1.423 20 0 BDADHO COC[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000226431500 134365858 /nfs/dbraw/zinc/36/58/58/134365858.db2.gz UEANTOOXDPLGQA-GHMZBOCLSA-N 1 3 202.342 1.327 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248389539 135001448 /nfs/dbraw/zinc/00/14/48/135001448.db2.gz SIUSUDKEISOSDJ-WOPDTQHZSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@H](C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248389539 135001449 /nfs/dbraw/zinc/00/14/49/135001449.db2.gz SIUSUDKEISOSDJ-WOPDTQHZSA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@H](C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052757 135031224 /nfs/dbraw/zinc/03/12/24/135031224.db2.gz XUXIEZKAWCCLOE-APYLGABCSA-N 1 3 240.391 1.608 20 0 BDADHO CC[C@H](C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052757 135031225 /nfs/dbraw/zinc/03/12/25/135031225.db2.gz XUXIEZKAWCCLOE-APYLGABCSA-N 1 3 240.391 1.608 20 0 BDADHO C[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000249727361 135044760 /nfs/dbraw/zinc/04/47/60/135044760.db2.gz QWCPPINYDBGYDO-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000249727361 135044762 /nfs/dbraw/zinc/04/47/62/135044762.db2.gz QWCPPINYDBGYDO-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251080344 135062986 /nfs/dbraw/zinc/06/29/86/135062986.db2.gz HMSPJKQFWJVXSM-GRYCIOLGSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251801135 135078183 /nfs/dbraw/zinc/07/81/83/135078183.db2.gz YKLGLHWILXGARU-MCIONIFRSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1ccnc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251801135 135078185 /nfs/dbraw/zinc/07/81/85/135078185.db2.gz YKLGLHWILXGARU-MCIONIFRSA-N 1 3 248.374 1.488 20 0 BDADHO C[NH2+]CCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000251847187 135078979 /nfs/dbraw/zinc/07/89/79/135078979.db2.gz RBPUKRBPGHCNQQ-OLZOCXBDSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCn1ccnc1 ZINC000086495851 135087225 /nfs/dbraw/zinc/08/72/25/135087225.db2.gz UBKLEUNTRNMGMP-NEPJUHHUSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000086499952 135087335 /nfs/dbraw/zinc/08/73/35/135087335.db2.gz KUICJFAACWYWHP-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)CCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257669396 135100687 /nfs/dbraw/zinc/10/06/87/135100687.db2.gz DIPONYSFWFQIJE-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO CC(C)COCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261534180 135108626 /nfs/dbraw/zinc/10/86/26/135108626.db2.gz ODQIBPBVVCZBJQ-CHWSQXEVSA-N 1 3 228.380 1.576 20 0 BDADHO C[C@@H]1CSCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000261547011 135108728 /nfs/dbraw/zinc/10/87/28/135108728.db2.gz LOERQXDSPGWNMX-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@@H]1CSCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000261547011 135108731 /nfs/dbraw/zinc/10/87/31/135108731.db2.gz LOERQXDSPGWNMX-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@@H]1CSCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261547011 135108734 /nfs/dbraw/zinc/10/87/34/135108734.db2.gz LOERQXDSPGWNMX-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO CO[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000261536796 135108977 /nfs/dbraw/zinc/10/89/77/135108977.db2.gz TTYPFEVWNZJQAJ-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000252789089 135109671 /nfs/dbraw/zinc/10/96/71/135109671.db2.gz RIVKJPUIJOZSRG-SDDRHHMPSA-N 1 3 212.337 1.286 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261567841 135109738 /nfs/dbraw/zinc/10/97/38/135109738.db2.gz ITFFOCLJFVNHRC-SOUVJXGZSA-N 1 3 245.370 1.949 20 0 BDADHO Cc1n[nH]cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000257686894 135139383 /nfs/dbraw/zinc/13/93/83/135139383.db2.gz MNAHAZUQTGKURC-UHFFFAOYSA-N 1 3 234.347 1.294 20 0 BDADHO CNC[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261528045 135152518 /nfs/dbraw/zinc/15/25/18/135152518.db2.gz JBOATPLUCWCLGO-GHMZBOCLSA-N 1 3 214.378 1.281 20 0 BDADHO CNC[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261528045 135152520 /nfs/dbraw/zinc/15/25/20/135152520.db2.gz JBOATPLUCWCLGO-GHMZBOCLSA-N 1 3 214.378 1.281 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@H]2CCSC2)C1 ZINC000261528045 135152521 /nfs/dbraw/zinc/15/25/21/135152521.db2.gz JBOATPLUCWCLGO-GHMZBOCLSA-N 1 3 214.378 1.281 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000261532424 135162396 /nfs/dbraw/zinc/16/23/96/135162396.db2.gz BHOMRQMRARBTGN-YNEHKIRRSA-N 1 3 226.364 1.663 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCSC2)C1 ZINC000261532846 135163456 /nfs/dbraw/zinc/16/34/56/135163456.db2.gz KKEHBGARZMRBAL-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261532846 135163458 /nfs/dbraw/zinc/16/34/58/135163458.db2.gz KKEHBGARZMRBAL-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261532846 135163460 /nfs/dbraw/zinc/16/34/60/135163460.db2.gz KKEHBGARZMRBAL-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO CO[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@H]1C ZINC000261533373 135164861 /nfs/dbraw/zinc/16/48/61/135164861.db2.gz HJTMBTJTXOFESQ-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCCO1 ZINC000261534519 135167564 /nfs/dbraw/zinc/16/75/64/135167564.db2.gz RRCUGPKUYSISFA-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)OCCN[C@H]1CC[NH2+]CC1(C)C ZINC000261536437 135172550 /nfs/dbraw/zinc/17/25/50/135172550.db2.gz RRVHJKVWZJQLJN-NSHDSACASA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)OCC[NH2+][C@H]1CCNCC1(C)C ZINC000261536437 135172551 /nfs/dbraw/zinc/17/25/51/135172551.db2.gz RRVHJKVWZJQLJN-NSHDSACASA-N 1 3 214.353 1.389 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1(C)C ZINC000261540141 135179532 /nfs/dbraw/zinc/17/95/32/135179532.db2.gz DWJFCBZOYVZYSH-QNWHQSFQSA-N 1 3 240.391 1.907 20 0 BDADHO COC(=O)C(C)(C)CN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000261540963 135180236 /nfs/dbraw/zinc/18/02/36/135180236.db2.gz ASKKACRIPZFZER-GHMZBOCLSA-N 1 3 242.363 1.306 20 0 BDADHO CN(C)[C@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000261543313 135184055 /nfs/dbraw/zinc/18/40/55/135184055.db2.gz CUPTWGABVVOCPO-CYBMUJFWSA-N 1 3 235.375 1.616 20 0 BDADHO CN(C)[C@H](C[NH2+]CC(C)(C)N)c1ccccc1 ZINC000261543313 135184057 /nfs/dbraw/zinc/18/40/57/135184057.db2.gz CUPTWGABVVOCPO-CYBMUJFWSA-N 1 3 235.375 1.616 20 0 BDADHO CC(C)COCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000084218186 135193302 /nfs/dbraw/zinc/19/33/02/135193302.db2.gz DSZGUPLDUBHZSE-QWHCGFSZSA-N 1 3 228.380 1.766 20 0 BDADHO Cc1cnn(CCN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000261556402 135196335 /nfs/dbraw/zinc/19/63/35/135196335.db2.gz QNZYYPSDVMVFGV-QWHCGFSZSA-N 1 3 236.363 1.108 20 0 BDADHO COc1cccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261564284 135206152 /nfs/dbraw/zinc/20/61/52/135206152.db2.gz HDYDETJVXIPETM-QEJZJMRPSA-N 1 3 246.354 1.864 20 0 BDADHO COCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CCC1 ZINC000261565341 135207606 /nfs/dbraw/zinc/20/76/06/135207606.db2.gz YESHHEZOPFKLMZ-STQMWFEESA-N 1 3 240.391 1.910 20 0 BDADHO COC[C@]1(CNC2CCCCC2)CCC[NH2+]1 ZINC000261568175 135210210 /nfs/dbraw/zinc/21/02/10/135210210.db2.gz FKPKDCIXSYZMNC-CYBMUJFWSA-N 1 3 226.364 1.677 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000261568428 135210293 /nfs/dbraw/zinc/21/02/93/135210293.db2.gz FPHHKUPJVOQIHW-AVGNSLFASA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H]1CCN(CCc2cccnc2)C[C@@H]1C[NH3+] ZINC000163921289 135210703 /nfs/dbraw/zinc/21/07/03/135210703.db2.gz NNVRMDKQDSEFFF-OCCSQVGLSA-N 1 3 233.359 1.541 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000261571299 135213152 /nfs/dbraw/zinc/21/31/52/135213152.db2.gz HKGRPIRNCGDFOI-VXGBXAGGSA-N 1 3 228.380 1.766 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000261571297 135213218 /nfs/dbraw/zinc/21/32/18/135213218.db2.gz HKGRPIRNCGDFOI-NWDGAFQWSA-N 1 3 228.380 1.766 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000261592385 135232924 /nfs/dbraw/zinc/23/29/24/135232924.db2.gz VUEVQLUBOVSQCW-RVMXOQNASA-N 1 3 226.364 1.255 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261545980 135238793 /nfs/dbraw/zinc/23/87/93/135238793.db2.gz GNJOYDMIZFXODE-IHRRRGAJSA-N 1 3 231.343 1.559 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261545981 135238869 /nfs/dbraw/zinc/23/88/69/135238869.db2.gz GNJOYDMIZFXODE-MELADBBJSA-N 1 3 231.343 1.559 20 0 BDADHO C[C@H](CN(C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000261547175 135240062 /nfs/dbraw/zinc/24/00/62/135240062.db2.gz LZCJRMHMIYKEGF-HIFRSBDPSA-N 1 3 247.386 1.458 20 0 BDADHO C([C@H]1CCC[NH2+]C1)N1CCCC2(CC2)C1 ZINC000261547121 135240092 /nfs/dbraw/zinc/24/00/92/135240092.db2.gz LWILBLWGQUSISJ-LBPRGKRZSA-N 1 3 208.349 1.862 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CCCC2(CC2)C1 ZINC000261547121 135240093 /nfs/dbraw/zinc/24/00/93/135240093.db2.gz LWILBLWGQUSISJ-LBPRGKRZSA-N 1 3 208.349 1.862 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CCCC2(CC2)C1 ZINC000261547121 135240094 /nfs/dbraw/zinc/24/00/94/135240094.db2.gz LWILBLWGQUSISJ-LBPRGKRZSA-N 1 3 208.349 1.862 20 0 BDADHO C[C@@]1(CN2CCC(n3ccnc3)CC2)CC[NH2+]C1 ZINC000261724177 135248344 /nfs/dbraw/zinc/24/83/44/135248344.db2.gz GJZRPUOEJDHYEC-CQSZACIVSA-N 1 3 248.374 1.520 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(N)c1 ZINC000261750050 135249671 /nfs/dbraw/zinc/24/96/71/135249671.db2.gz WICLNBOLCDEIEH-JQWIXIFHSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1Cc1cccc(N)c1 ZINC000261750050 135249672 /nfs/dbraw/zinc/24/96/72/135249672.db2.gz WICLNBOLCDEIEH-JQWIXIFHSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1Cc1cccc(N)c1 ZINC000261750050 135249673 /nfs/dbraw/zinc/24/96/73/135249673.db2.gz WICLNBOLCDEIEH-JQWIXIFHSA-N 1 3 219.332 1.438 20 0 BDADHO COCC1(C)CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261751293 135249885 /nfs/dbraw/zinc/24/98/85/135249885.db2.gz JVJHHEAWVAJMNR-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO COC(=O)C(C)(C)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261831505 135256004 /nfs/dbraw/zinc/25/60/04/135256004.db2.gz JBVKQFVAPFAVNR-WDEREUQCSA-N 1 3 242.363 1.245 20 0 BDADHO Cc1ccc(NC(=O)C[C@H](C)[NH3+])c(CN(C)C)c1 ZINC000261839009 135256928 /nfs/dbraw/zinc/25/69/28/135256928.db2.gz NSNBUZWJWWSKLA-NSHDSACASA-N 1 3 249.358 1.732 20 0 BDADHO CCN1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@H]1C ZINC000262030881 135274051 /nfs/dbraw/zinc/27/40/51/135274051.db2.gz XDKRHSCEZAEDFG-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO CN(C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CC[NH2+]C1 ZINC000262061765 135276503 /nfs/dbraw/zinc/27/65/03/135276503.db2.gz RFBOFONWQBVPSK-RWMBFGLXSA-N 1 3 226.364 1.079 20 0 BDADHO COCC(C)(C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262092218 135278684 /nfs/dbraw/zinc/27/86/84/135278684.db2.gz UXBVZFUHSMLAQZ-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)CN1CCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262812391 135319738 /nfs/dbraw/zinc/31/97/38/135319738.db2.gz VMFISHJSFOTVSF-GFCCVEGCSA-N 1 3 238.379 1.046 20 0 BDADHO C[C@@H]1CCC[C@@H](C)N1CCNC1=[NH+]CCCN1 ZINC000263161825 135336476 /nfs/dbraw/zinc/33/64/76/135336476.db2.gz OZRXGLWVANIZTE-VXGBXAGGSA-N 1 3 238.379 1.188 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000263308101 135345783 /nfs/dbraw/zinc/34/57/83/135345783.db2.gz OUOZOEHBJNMIBE-CYBMUJFWSA-N 1 3 241.379 1.010 20 0 BDADHO c1ccc2c(c1)CCN[C@@H]2CNC1CC[NH2+]CC1 ZINC000334821314 135832941 /nfs/dbraw/zinc/83/29/41/135832941.db2.gz WFPCGXKCPBYZHU-OAHLLOKOSA-N 1 3 245.370 1.215 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]2C(F)F)CC[N@@H+]1C ZINC000348152226 136039765 /nfs/dbraw/zinc/03/97/65/136039765.db2.gz BHJHPNKJPYHSFC-KYXWUPHJSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[C@H]2C(F)F)CC[N@H+]1C ZINC000348152226 136039766 /nfs/dbraw/zinc/03/97/66/136039766.db2.gz BHJHPNKJPYHSFC-KYXWUPHJSA-N 1 3 218.291 1.712 20 0 BDADHO CCC(CC)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422860798 397757984 /nfs/dbraw/zinc/75/79/84/397757984.db2.gz NCMSDKJTIZJJAM-CYZMBNFOSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCN2C)CCN1C ZINC000649547186 397938515 /nfs/dbraw/zinc/93/85/15/397938515.db2.gz NIZGKKQYSUEZKD-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCN2C)CCN1C ZINC000649547186 397938520 /nfs/dbraw/zinc/93/85/20/397938520.db2.gz NIZGKKQYSUEZKD-HZSPNIEDSA-N 1 3 239.407 1.495 20 0 BDADHO COCCOCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623376556 397956734 /nfs/dbraw/zinc/95/67/34/397956734.db2.gz YBVBUQAWPYKQOD-LBPRGKRZSA-N 1 3 244.379 1.112 20 0 BDADHO COCCOCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623376556 397956735 /nfs/dbraw/zinc/95/67/35/397956735.db2.gz YBVBUQAWPYKQOD-LBPRGKRZSA-N 1 3 244.379 1.112 20 0 BDADHO C[C@@H]1OCC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000414917611 398092814 /nfs/dbraw/zinc/09/28/14/398092814.db2.gz RVOLZZIGNUHBQD-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414917611 398092817 /nfs/dbraw/zinc/09/28/17/398092817.db2.gz RVOLZZIGNUHBQD-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)(CO)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000643475059 398076438 /nfs/dbraw/zinc/07/64/38/398076438.db2.gz ULNIBISUQBXFPD-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO COCC[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000086637476 398055982 /nfs/dbraw/zinc/05/59/82/398055982.db2.gz ISIMEYWJOKBUEA-JTQLQIEISA-N 1 3 202.342 1.328 20 0 BDADHO CN(C[C@H]1CCOc2ccccc21)C1CC([NH3+])C1 ZINC000384849612 398111735 /nfs/dbraw/zinc/11/17/35/398111735.db2.gz BGKORUHYPVVYAI-PNESKVBLSA-N 1 3 246.354 1.974 20 0 BDADHO CCC1(O)CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000336712058 398134187 /nfs/dbraw/zinc/13/41/87/398134187.db2.gz RMDZARKOZHIRAN-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO c1ccc(CNCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000258678642 322875006 /nfs/dbraw/zinc/87/50/06/322875006.db2.gz IDKJMPCHGGEYBO-LBPRGKRZSA-N 1 3 219.332 1.561 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000309420013 167214960 /nfs/dbraw/zinc/21/49/60/167214960.db2.gz JTCCATGKWTULIJ-NEPJUHHUSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000309420013 167214962 /nfs/dbraw/zinc/21/49/62/167214962.db2.gz JTCCATGKWTULIJ-NEPJUHHUSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000309420013 167214963 /nfs/dbraw/zinc/21/49/63/167214963.db2.gz JTCCATGKWTULIJ-NEPJUHHUSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCC[NH2+]C1CCNCC1 ZINC000038040771 167220337 /nfs/dbraw/zinc/22/03/37/167220337.db2.gz NXKCBZWUMHYKSZ-UHFFFAOYSA-N 1 3 200.326 1.143 20 0 BDADHO CC(C)OCCCNC1CC[NH2+]CC1 ZINC000038040771 167220340 /nfs/dbraw/zinc/22/03/40/167220340.db2.gz NXKCBZWUMHYKSZ-UHFFFAOYSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000383099284 487586544 /nfs/dbraw/zinc/58/65/44/487586544.db2.gz ZOELDUUMQACSGO-DGAVXFQQSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000383099284 487586548 /nfs/dbraw/zinc/58/65/48/487586548.db2.gz ZOELDUUMQACSGO-DGAVXFQQSA-N 1 3 240.391 1.597 20 0 BDADHO CC1(C)CCCC[C@H]1C[N@@H+]1CCO[C@H](CN)C1 ZINC000662265179 409561655 /nfs/dbraw/zinc/56/16/55/409561655.db2.gz GCNLPGQAGFULKP-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO CC1(C)CCCC[C@H]1C[N@H+]1CCO[C@H](CN)C1 ZINC000662265179 409561663 /nfs/dbraw/zinc/56/16/63/409561663.db2.gz GCNLPGQAGFULKP-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662264616 409562267 /nfs/dbraw/zinc/56/22/67/409562267.db2.gz DXMPPBOZSHPHLN-XJFOESAGSA-N 1 3 220.360 1.718 20 0 BDADHO CC(C)[N@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662252204 409548413 /nfs/dbraw/zinc/54/84/13/409548413.db2.gz MEJSNLKBUQWVDL-ZDUSSCGKSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)[N@@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662252204 409548420 /nfs/dbraw/zinc/54/84/20/409548420.db2.gz MEJSNLKBUQWVDL-ZDUSSCGKSA-N 1 3 238.375 1.628 20 0 BDADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H](C)C(C)C ZINC000662255362 409551325 /nfs/dbraw/zinc/55/13/25/409551325.db2.gz YCKLKMIIRRFKMF-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H](C)C(C)C ZINC000662255362 409551332 /nfs/dbraw/zinc/55/13/32/409551332.db2.gz YCKLKMIIRRFKMF-QWHCGFSZSA-N 1 3 240.391 1.874 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(CCO[C@H]2CC2(F)F)C1 ZINC000662270690 409575257 /nfs/dbraw/zinc/57/52/57/409575257.db2.gz CAUWONBMRWMYCK-QWRGUYRKSA-N 1 3 248.317 1.471 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCO[C@H]1CC1(F)F ZINC000662276548 409589710 /nfs/dbraw/zinc/58/97/10/409589710.db2.gz KHKVJLARXLQVKN-UWVGGRQHSA-N 1 3 248.317 1.388 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000662276548 409589720 /nfs/dbraw/zinc/58/97/20/409589720.db2.gz KHKVJLARXLQVKN-UWVGGRQHSA-N 1 3 248.317 1.388 20 0 BDADHO CC[C@H](NC)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000662422107 409705417 /nfs/dbraw/zinc/70/54/17/409705417.db2.gz NCJUIUGYCWSAER-CABZTGNLSA-N 1 3 235.331 1.643 20 0 BDADHO CCO[C@@H]1C[N@H+](CC2(C)CCC2)C[C@H]1CN ZINC000405844083 409987161 /nfs/dbraw/zinc/98/71/61/409987161.db2.gz GSOFPMXMZCOEMG-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H]1CN ZINC000405844083 409987167 /nfs/dbraw/zinc/98/71/67/409987167.db2.gz GSOFPMXMZCOEMG-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H]1CN(CC2(C)CCC2)C[C@H]1C[NH3+] ZINC000405844083 409987176 /nfs/dbraw/zinc/98/71/76/409987176.db2.gz GSOFPMXMZCOEMG-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CN(C)c2ccccc2CN1CCC[NH3+] ZINC000335253467 487612700 /nfs/dbraw/zinc/61/27/00/487612700.db2.gz VJQVXWKHNWANFY-GFCCVEGCSA-N 1 3 233.359 1.676 20 0 BDADHO C[C@@H]1OCC[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650718108 410355518 /nfs/dbraw/zinc/35/55/18/410355518.db2.gz YFZMDOMMAINWMC-TVQRCGJNSA-N 1 3 238.306 1.551 20 0 BDADHO C[C@H](CO)C1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000650714928 410348100 /nfs/dbraw/zinc/34/81/00/410348100.db2.gz HPZMFVYAMXXKCE-TZMCWYRMSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1nccs1 ZINC000650745326 410383269 /nfs/dbraw/zinc/38/32/69/410383269.db2.gz DKZCHJMRSFQKKW-VIFPVBQESA-N 1 3 225.361 1.923 20 0 BDADHO C[C@@H]1C[C@H](NCCC2(C[NH3+])CC2)c2nccn21 ZINC000650746827 410388495 /nfs/dbraw/zinc/38/84/95/410388495.db2.gz MAZPUYLYSYSSDY-MNOVXSKESA-N 1 3 234.347 1.608 20 0 BDADHO C[C@H]1C[C@H](NCCC2CC[NH2+]CC2)c2nccn21 ZINC000650761832 410408890 /nfs/dbraw/zinc/40/88/90/410408890.db2.gz LNIHSQBSMUKTHS-AAEUAGOBSA-N 1 3 248.374 1.868 20 0 BDADHO Cc1nccnc1[C@@H](C)NCCC1CC[NH2+]CC1 ZINC000650763058 410412556 /nfs/dbraw/zinc/41/25/56/410412556.db2.gz PRDXURXSULLYPY-LLVKDONJSA-N 1 3 248.374 1.825 20 0 BDADHO CO[C@H](C[NH2+]CCCN1CCCC1)C1CC1 ZINC000393494065 410703313 /nfs/dbraw/zinc/70/33/13/410703313.db2.gz QXHHIVFMBPIUST-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](CNCCC[NH+]1CCCC1)C1CC1 ZINC000393494065 410703318 /nfs/dbraw/zinc/70/33/18/410703318.db2.gz QXHHIVFMBPIUST-CYBMUJFWSA-N 1 3 226.364 1.487 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000665230707 410725035 /nfs/dbraw/zinc/72/50/35/410725035.db2.gz UIAVCGMRKBAYDT-MVKMKZAISA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H](NC1CCC(C[NH3+])CC1)c1nccn1C ZINC000665283348 410762871 /nfs/dbraw/zinc/76/28/71/410762871.db2.gz MISOWYLQNAVVQT-VOMCLLRMSA-N 1 3 236.363 1.588 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@H]1CCOC ZINC000665297723 410817139 /nfs/dbraw/zinc/81/71/39/410817139.db2.gz KHYIQMVBUMPQGU-SRVKXCTJSA-N 1 3 214.353 1.389 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)C1 ZINC000308980718 410832053 /nfs/dbraw/zinc/83/20/53/410832053.db2.gz DUIQPRKADBWTPC-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)C1 ZINC000308980718 410832058 /nfs/dbraw/zinc/83/20/58/410832058.db2.gz DUIQPRKADBWTPC-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](N)CC(C)C ZINC000041680143 410933487 /nfs/dbraw/zinc/93/34/87/410933487.db2.gz VGWQSBKWXQLPJD-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@@H](O)C1CC1 ZINC000683140595 487619937 /nfs/dbraw/zinc/61/99/37/487619937.db2.gz BHWIBPOUPNWVRK-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000683140595 487619942 /nfs/dbraw/zinc/61/99/42/487619942.db2.gz BHWIBPOUPNWVRK-CYBMUJFWSA-N 1 3 228.380 1.421 20 0 BDADHO CCO[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000042425533 411003984 /nfs/dbraw/zinc/00/39/84/411003984.db2.gz GJRWQSGRFXYQMH-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+](CC1CCOCC1)[C@H]1CCCNCC1 ZINC000082666942 411152069 /nfs/dbraw/zinc/15/20/69/411152069.db2.gz GOWFRVUQZACSSW-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC1CCOCC1)[C@H]1CCCNCC1 ZINC000082666942 411152073 /nfs/dbraw/zinc/15/20/73/411152073.db2.gz GOWFRVUQZACSSW-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO FC1(F)CC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000300854767 411127142 /nfs/dbraw/zinc/12/71/42/411127142.db2.gz KBDMWJWNVKUEOE-HBNTYKKESA-N 1 3 230.302 1.573 20 0 BDADHO C(C1CC1)[NH+]1CCC(N[C@@H]2CCOC2)CC1 ZINC000309562462 411175477 /nfs/dbraw/zinc/17/54/77/411175477.db2.gz PGULXXRIBHLNNX-CYBMUJFWSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC[C@H]1O ZINC000656197080 411201657 /nfs/dbraw/zinc/20/16/57/411201657.db2.gz BJJZEPDHGASUPG-AAVRWANBSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCCC[C@H]1O ZINC000656197080 411201659 /nfs/dbraw/zinc/20/16/59/411201659.db2.gz BJJZEPDHGASUPG-AAVRWANBSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000652341163 411205850 /nfs/dbraw/zinc/20/58/50/411205850.db2.gz LKOMEWHYVIFODX-RKQHYHRCSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@H](NC[C@@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173518 411235899 /nfs/dbraw/zinc/23/58/99/411235899.db2.gz ZCAIKETZOZKWET-AVGNSLFASA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CCOC)[C@@H]1CCCN1 ZINC000423173518 411235905 /nfs/dbraw/zinc/23/59/05/411235905.db2.gz ZCAIKETZOZKWET-AVGNSLFASA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1C[C@H](NCCO[C@@H]2CC2(F)F)CC[N@@H+]1C ZINC000658170490 411280261 /nfs/dbraw/zinc/28/02/61/411280261.db2.gz SZZCNJCZEMFWQI-GMTAPVOTSA-N 1 3 248.317 1.483 20 0 BDADHO C[C@@H]1C[C@H](NCCO[C@@H]2CC2(F)F)CC[N@H+]1C ZINC000658170490 411280264 /nfs/dbraw/zinc/28/02/64/411280264.db2.gz SZZCNJCZEMFWQI-GMTAPVOTSA-N 1 3 248.317 1.483 20 0 BDADHO CCC[C@H](CNCCC[NH+](C)C)OC ZINC000382329260 411289857 /nfs/dbraw/zinc/28/98/57/411289857.db2.gz VYKGAMGTKYZGET-LLVKDONJSA-N 1 3 202.342 1.343 20 0 BDADHO COC[C@@H](C)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402805032 411317910 /nfs/dbraw/zinc/31/79/10/411317910.db2.gz ZSASFRCQKCAYHO-AVGNSLFASA-N 1 3 226.364 1.330 20 0 BDADHO COC[C@@H](C)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000402805032 411317911 /nfs/dbraw/zinc/31/79/11/411317911.db2.gz ZSASFRCQKCAYHO-AVGNSLFASA-N 1 3 226.364 1.330 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)C[C@H]1C ZINC000653770067 411349271 /nfs/dbraw/zinc/34/92/71/411349271.db2.gz ULUXJUNWOQQHIN-JHJVBQTASA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C)C[C@H]1C ZINC000653770067 411349273 /nfs/dbraw/zinc/34/92/73/411349273.db2.gz ULUXJUNWOQQHIN-JHJVBQTASA-N 1 3 228.380 1.419 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000404068225 411374222 /nfs/dbraw/zinc/37/42/22/411374222.db2.gz LCVFLMYDEZISJP-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CNC[C@@H]([NH2+][C@@H]2CCc3cc(N)ccc32)C1 ZINC000656791893 411372813 /nfs/dbraw/zinc/37/28/13/411372813.db2.gz MSGWFCKXDOLPEA-VZJVUDMVSA-N 1 3 245.370 1.844 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@]1(C)CO ZINC000662146605 411367861 /nfs/dbraw/zinc/36/78/61/411367861.db2.gz SFGUXDYHAXFLHU-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@]1(C)CO ZINC000662146605 411367863 /nfs/dbraw/zinc/36/78/63/411367863.db2.gz SFGUXDYHAXFLHU-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CNCCCC1CCC1 ZINC000656709980 411335925 /nfs/dbraw/zinc/33/59/25/411335925.db2.gz GHEWPIHFUPIGET-CQSZACIVSA-N 1 3 242.407 1.857 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CNCCCC1CCC1 ZINC000656709980 411335928 /nfs/dbraw/zinc/33/59/28/411335928.db2.gz GHEWPIHFUPIGET-CQSZACIVSA-N 1 3 242.407 1.857 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330356 411338537 /nfs/dbraw/zinc/33/85/37/411338537.db2.gz CXUQZWGXELNXBP-LOWDOPEQSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@@H]2C[C@]2(C)OC)[C@@H](C)C1 ZINC000658330356 411338541 /nfs/dbraw/zinc/33/85/41/411338541.db2.gz CXUQZWGXELNXBP-LOWDOPEQSA-N 1 3 226.364 1.484 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCCC1 ZINC000125484159 411376501 /nfs/dbraw/zinc/37/65/01/411376501.db2.gz ZMTOCHQXWOPZSZ-STQMWFEESA-N 1 3 240.391 1.646 20 0 BDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCN(C)C ZINC000356946606 168300858 /nfs/dbraw/zinc/30/08/58/168300858.db2.gz ZTMMZLIAPSIYQK-NSHDSACASA-N 1 3 243.395 1.173 20 0 BDADHO CCOCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404370279 411392731 /nfs/dbraw/zinc/39/27/31/411392731.db2.gz IRFZZBCRKQBKQG-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO CCOCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404370279 411392733 /nfs/dbraw/zinc/39/27/33/411392733.db2.gz IRFZZBCRKQBKQG-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO CCO[C@@H]1CN(Cc2ccccc2C)C[C@H]1C[NH3+] ZINC000405425753 411428299 /nfs/dbraw/zinc/42/82/99/411428299.db2.gz GECSGOMLFZGHOP-HUUCEWRRSA-N 1 3 248.370 1.791 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)C1CC1 ZINC000126442173 411437336 /nfs/dbraw/zinc/43/73/36/411437336.db2.gz HIFFUVSOJAFGJE-JSGCOSHPSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@H](NC[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000126442173 411437340 /nfs/dbraw/zinc/43/73/40/411437340.db2.gz HIFFUVSOJAFGJE-JSGCOSHPSA-N 1 3 240.391 1.731 20 0 BDADHO COC[C@H](NC[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000126442173 411437343 /nfs/dbraw/zinc/43/73/43/411437343.db2.gz HIFFUVSOJAFGJE-JSGCOSHPSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)(C)NCC[NH2+]CC1(CCO)CCCC1 ZINC000415088254 411491898 /nfs/dbraw/zinc/49/18/98/411491898.db2.gz VZCXYUCGGRZUAO-UHFFFAOYSA-N 1 3 242.407 1.907 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccncn1 ZINC000655802532 411518270 /nfs/dbraw/zinc/51/82/70/411518270.db2.gz FPWITXSCWZKQCX-SDDRHHMPSA-N 1 3 234.347 1.467 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCC(C)(C)O)C[C@@H]1C ZINC000360453863 170010461 /nfs/dbraw/zinc/01/04/61/170010461.db2.gz GWXFADIKJIWVRU-QWHCGFSZSA-N 1 3 242.407 1.952 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCC(C)(C)O)C[C@@H]1C ZINC000360453863 170010462 /nfs/dbraw/zinc/01/04/62/170010462.db2.gz GWXFADIKJIWVRU-QWHCGFSZSA-N 1 3 242.407 1.952 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@H](CC)C2)C1 ZINC000657327161 411466641 /nfs/dbraw/zinc/46/66/41/411466641.db2.gz ZCOLYUNJPWJDSC-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CO[C@H](CC)C2)C1 ZINC000657327161 411466642 /nfs/dbraw/zinc/46/66/42/411466642.db2.gz ZCOLYUNJPWJDSC-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](CC)C2)C1 ZINC000657327161 411466644 /nfs/dbraw/zinc/46/66/44/411466644.db2.gz ZCOLYUNJPWJDSC-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@]2(C)CCCO2)C1 ZINC000340189020 170016564 /nfs/dbraw/zinc/01/65/64/170016564.db2.gz SIGVGVBEZJMWOJ-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCC(C)(C)O)C[C@H]1C ZINC000360453862 170017720 /nfs/dbraw/zinc/01/77/20/170017720.db2.gz GWXFADIKJIWVRU-OLZOCXBDSA-N 1 3 242.407 1.952 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCC(C)(C)O)C[C@H]1C ZINC000360453862 170017722 /nfs/dbraw/zinc/01/77/22/170017722.db2.gz GWXFADIKJIWVRU-OLZOCXBDSA-N 1 3 242.407 1.952 20 0 BDADHO Cc1c[nH]c(CNC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000657504742 411539218 /nfs/dbraw/zinc/53/92/18/411539218.db2.gz MOIRNHUDFYWCRK-PHIMTYICSA-N 1 3 222.336 1.148 20 0 BDADHO CC[NH2+]CCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000236946166 170114822 /nfs/dbraw/zinc/11/48/22/170114822.db2.gz NYCUCQLCIGSBPK-DGCLKSJQSA-N 1 3 249.358 1.048 20 0 BDADHO CCOC(=O)CCN(C)C1CC[NH+](CC)CC1 ZINC000042680402 170203921 /nfs/dbraw/zinc/20/39/21/170203921.db2.gz RWJHUMYKQXPSEU-UHFFFAOYSA-N 1 3 242.363 1.356 20 0 BDADHO CCOCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122351580 170374445 /nfs/dbraw/zinc/37/44/45/170374445.db2.gz LHTWJDQJAFYMFG-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO CCOCCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000122351580 170374446 /nfs/dbraw/zinc/37/44/46/170374446.db2.gz LHTWJDQJAFYMFG-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000657842011 411610105 /nfs/dbraw/zinc/61/01/05/411610105.db2.gz SHWPLYKPDVQJAR-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657842011 411610106 /nfs/dbraw/zinc/61/01/06/411610106.db2.gz SHWPLYKPDVQJAR-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657842011 411610107 /nfs/dbraw/zinc/61/01/07/411610107.db2.gz SHWPLYKPDVQJAR-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO COCCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656754 411614613 /nfs/dbraw/zinc/61/46/13/411614613.db2.gz XLQSOSTYFBEZFK-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO COCCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656754 411614614 /nfs/dbraw/zinc/61/46/14/411614614.db2.gz XLQSOSTYFBEZFK-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1CCCSC1 ZINC000663498686 411682386 /nfs/dbraw/zinc/68/23/86/411682386.db2.gz DAYVCADQXZPUIL-GHMZBOCLSA-N 1 3 216.394 1.845 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H]1CCO[C@@H]1C ZINC000663500711 411684543 /nfs/dbraw/zinc/68/45/43/411684543.db2.gz UCEKKVMLPWJALY-MXWKQRLJSA-N 1 3 200.326 1.127 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H](C)CCC(F)(F)F ZINC000663513540 411695030 /nfs/dbraw/zinc/69/50/30/411695030.db2.gz KZHLXOQOUQXBAQ-YUMQZZPRSA-N 1 3 212.259 1.915 20 0 BDADHO C[C@@H]1CN(c2nccc3[nH]ccc32)C[C@H]1[NH+](C)C ZINC000663709301 411728886 /nfs/dbraw/zinc/72/88/86/411728886.db2.gz OPLSRUMGBGLING-ZWNOBZJWSA-N 1 3 244.342 1.949 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661699677 411845053 /nfs/dbraw/zinc/84/50/53/411845053.db2.gz DSYTYWJEVIIYDR-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661699677 411845057 /nfs/dbraw/zinc/84/50/57/411845057.db2.gz DSYTYWJEVIIYDR-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1C[C@@H](O)C12CCC2 ZINC000661831231 411895077 /nfs/dbraw/zinc/89/50/77/411895077.db2.gz MUCHAZZKEOQIAM-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661831231 411895082 /nfs/dbraw/zinc/89/50/82/411895082.db2.gz MUCHAZZKEOQIAM-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO CO[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)C1CCC1 ZINC000662243232 412038547 /nfs/dbraw/zinc/03/85/47/412038547.db2.gz GYBUIDVWTLTTOI-RAIGVLPGSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)C1CCC1 ZINC000662243230 412038952 /nfs/dbraw/zinc/03/89/52/412038952.db2.gz GYBUIDVWTLTTOI-CYZMBNFOSA-N 1 3 226.364 1.471 20 0 BDADHO CCC[NH+](CCC)C[C@H]1CCC2(CNC2)O1 ZINC000662248696 412046380 /nfs/dbraw/zinc/04/63/80/412046380.db2.gz BDTOKCGSEKPOTF-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@]1(C)CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258698 412053403 /nfs/dbraw/zinc/05/34/03/412053403.db2.gz ZCDBKUDNOPYZGB-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@]1(C)CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662258698 412053406 /nfs/dbraw/zinc/05/34/06/412053406.db2.gz ZCDBKUDNOPYZGB-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259030 412053965 /nfs/dbraw/zinc/05/39/65/412053965.db2.gz OMYURUKUEAANPA-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662259030 412053969 /nfs/dbraw/zinc/05/39/69/412053969.db2.gz OMYURUKUEAANPA-NEPJUHHUSA-N 1 3 224.348 1.239 20 0 BDADHO Cc1nc([C@@H](C)N2CCC[C@H](CC[NH3+])C2)n[nH]1 ZINC000662272515 412063336 /nfs/dbraw/zinc/06/33/36/412063336.db2.gz OJIRUMDFKABXDV-MWLCHTKSSA-N 1 3 237.351 1.235 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000372469527 171207018 /nfs/dbraw/zinc/20/70/18/171207018.db2.gz YBFHOEXMQCOHKT-OPDFLTKYSA-N 1 3 236.359 1.776 20 0 BDADHO CC[C@@]1(C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372469527 171207020 /nfs/dbraw/zinc/20/70/20/171207020.db2.gz YBFHOEXMQCOHKT-OPDFLTKYSA-N 1 3 236.359 1.776 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H](C)[C@H](CN)C1)C1CCC1 ZINC000662280833 412073139 /nfs/dbraw/zinc/07/31/39/412073139.db2.gz GECCOVXTEAQBCX-MRVWCRGKSA-N 1 3 240.391 1.718 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H](C)[C@H](CN)C1)C1CCC1 ZINC000662280833 412073142 /nfs/dbraw/zinc/07/31/42/412073142.db2.gz GECCOVXTEAQBCX-MRVWCRGKSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H](NC[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccn1 ZINC000662282272 412073643 /nfs/dbraw/zinc/07/36/43/412073643.db2.gz OFYUBMMEGROGOZ-NEPJUHHUSA-N 1 3 247.342 1.253 20 0 BDADHO OCC1(NCCC2CCCC2)CC[NH2+]CC1 ZINC000662287226 412079360 /nfs/dbraw/zinc/07/93/60/412079360.db2.gz VNESEKKDJIHUTB-UHFFFAOYSA-N 1 3 226.364 1.271 20 0 BDADHO [NH3+]CC12CC(C1)CN2CCC1CCCC1 ZINC000662303427 412089118 /nfs/dbraw/zinc/08/91/18/412089118.db2.gz DISQJMOXNPPVCW-UHFFFAOYSA-N 1 3 208.349 1.990 20 0 BDADHO C[NH2+]CCCN1CCCC[C@@H]1[C@H](C)CO ZINC000662302132 412089490 /nfs/dbraw/zinc/08/94/90/412089490.db2.gz XDLLNMGCYXPBHG-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000662302132 412089497 /nfs/dbraw/zinc/08/94/97/412089497.db2.gz XDLLNMGCYXPBHG-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000662302132 412089501 /nfs/dbraw/zinc/08/95/01/412089501.db2.gz XDLLNMGCYXPBHG-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000665235955 412175683 /nfs/dbraw/zinc/17/56/83/412175683.db2.gz DENFRPSEUIXPGT-GWCFXTLKSA-N 1 3 249.358 1.678 20 0 BDADHO C[C@H]1C[C@@H](NC2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235905 412176314 /nfs/dbraw/zinc/17/63/14/412176314.db2.gz CCNSCEVCVDNHIR-WNYYMSAVSA-N 1 3 249.362 1.391 20 0 BDADHO C[C@@H]1C[C@@H](NC2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235904 412177209 /nfs/dbraw/zinc/17/72/09/412177209.db2.gz CCNSCEVCVDNHIR-HBIQZDMRSA-N 1 3 249.362 1.391 20 0 BDADHO CC(C)(F)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000665262020 412203895 /nfs/dbraw/zinc/20/38/95/412203895.db2.gz RMODRTXUJFMBFG-UWVGGRQHSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccoc1 ZINC000665261519 412204692 /nfs/dbraw/zinc/20/46/92/412204692.db2.gz FIEYRJOWWFEXFY-DRZSPHRISA-N 1 3 238.331 1.164 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665261519 412204695 /nfs/dbraw/zinc/20/46/95/412204695.db2.gz FIEYRJOWWFEXFY-DRZSPHRISA-N 1 3 238.331 1.164 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665261766 412204770 /nfs/dbraw/zinc/20/47/70/412204770.db2.gz KVANEVNQMRKHIF-JOYOIKCWSA-N 1 3 237.347 1.270 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665262950 412205933 /nfs/dbraw/zinc/20/59/33/412205933.db2.gz CKSSJDGEDRLIQG-QWHCGFSZSA-N 1 3 222.332 1.929 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1ccoc1 ZINC000665262950 412205938 /nfs/dbraw/zinc/20/59/38/412205938.db2.gz CKSSJDGEDRLIQG-QWHCGFSZSA-N 1 3 222.332 1.929 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCC1CCC1 ZINC000665266733 412210805 /nfs/dbraw/zinc/21/08/05/412210805.db2.gz IKGLKMSVBMAEME-IACUBPJLSA-N 1 3 240.391 1.909 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](CC)NC)c1 ZINC000662398181 412147554 /nfs/dbraw/zinc/14/75/54/412147554.db2.gz BADWASDSQHUDNU-CYBMUJFWSA-N 1 3 249.358 1.733 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@H](CC)NC)c1 ZINC000662398182 412147775 /nfs/dbraw/zinc/14/77/75/412147775.db2.gz BADWASDSQHUDNU-ZDUSSCGKSA-N 1 3 249.358 1.733 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000665230294 412168313 /nfs/dbraw/zinc/16/83/13/412168313.db2.gz MFSUJTXAASXYQW-GFJIZPEISA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](CN[C@H](C)C1C[NH2+]C1)c1ccccn1 ZINC000665232571 412170595 /nfs/dbraw/zinc/17/05/95/412170595.db2.gz PJLXDWGEQWJODR-GHMZBOCLSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@H](C[NH2+][C@H](C)C1CNC1)c1ccccn1 ZINC000665232571 412170596 /nfs/dbraw/zinc/17/05/96/412170596.db2.gz PJLXDWGEQWJODR-GHMZBOCLSA-N 1 3 219.332 1.383 20 0 BDADHO CC[NH+](CC)CCCCNC(=O)CNC(C)C ZINC000662682125 412269775 /nfs/dbraw/zinc/26/97/75/412269775.db2.gz FUIFPPXIRBRAFM-UHFFFAOYSA-N 1 3 243.395 1.223 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)C1CCCC1 ZINC000665275274 412219225 /nfs/dbraw/zinc/21/92/25/412219225.db2.gz GLCOPAVVXMGGQT-MGPQQGTHSA-N 1 3 240.391 1.909 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCOC1 ZINC000665278243 412220243 /nfs/dbraw/zinc/22/02/43/412220243.db2.gz YZIXEHDRGRWSAC-ZFQMDJOTSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1CCOC1 ZINC000665278243 412220246 /nfs/dbraw/zinc/22/02/46/412220246.db2.gz YZIXEHDRGRWSAC-ZFQMDJOTSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@H]([NH2+]CC12CC(C1)CN2)[C@H]1C[C@H]1C ZINC000665280279 412224258 /nfs/dbraw/zinc/22/42/58/412224258.db2.gz XSOGQHZCQNNQKY-SZMZNBQVSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@H](NCC12CC(C1)C[NH2+]2)[C@H]1C[C@H]1C ZINC000665280279 412224260 /nfs/dbraw/zinc/22/42/60/412224260.db2.gz XSOGQHZCQNNQKY-SZMZNBQVSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000665281448 412226000 /nfs/dbraw/zinc/22/60/00/412226000.db2.gz COXMATQAHJLJBG-FRRDWIJNSA-N 1 3 228.380 1.765 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(CN)nc1C ZINC000665299510 412248354 /nfs/dbraw/zinc/24/83/54/412248354.db2.gz OKJTXLNRHCPACW-ZJUUUORDSA-N 1 3 236.363 1.107 20 0 BDADHO CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662892234 412337837 /nfs/dbraw/zinc/33/78/37/412337837.db2.gz BZUFEBDQMWNHIX-IJLUTSLNSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CCN1C ZINC000132947014 412374093 /nfs/dbraw/zinc/37/40/93/412374093.db2.gz COXPFZLUEBXOID-MNOVXSKESA-N 1 3 241.379 1.103 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000352708735 173026540 /nfs/dbraw/zinc/02/65/40/173026540.db2.gz XMQJFLYWTSQJGR-KGLIPLIRSA-N 1 3 240.391 1.611 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536330 173027172 /nfs/dbraw/zinc/02/71/72/173027172.db2.gz ZPEGWJDLKMHYIS-CHWSQXEVSA-N 1 3 249.362 1.009 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364536330 173027175 /nfs/dbraw/zinc/02/71/75/173027175.db2.gz ZPEGWJDLKMHYIS-CHWSQXEVSA-N 1 3 249.362 1.009 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352699403 173029038 /nfs/dbraw/zinc/02/90/38/173029038.db2.gz QRINWZYJSIESRI-UPJWGTAASA-N 1 3 226.364 1.316 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@@H]1O ZINC000352699403 173029039 /nfs/dbraw/zinc/02/90/39/173029039.db2.gz QRINWZYJSIESRI-UPJWGTAASA-N 1 3 226.364 1.316 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN(CCCCO)C1CC1 ZINC000305717265 173029312 /nfs/dbraw/zinc/02/93/12/173029312.db2.gz HZWQTOQGDCFKND-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN(CCCCO)C1CC1 ZINC000305717265 173029313 /nfs/dbraw/zinc/02/93/13/173029313.db2.gz HZWQTOQGDCFKND-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036223 /nfs/dbraw/zinc/03/62/23/173036223.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036226 /nfs/dbraw/zinc/03/62/26/173036226.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036227 /nfs/dbraw/zinc/03/62/27/173036227.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CC3(C)COC3)CC[C@H]21 ZINC000336689561 173036229 /nfs/dbraw/zinc/03/62/29/173036229.db2.gz HSZZJYRTKZKMMF-CHWSQXEVSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](CO)CC1 ZINC000339750622 173051819 /nfs/dbraw/zinc/05/18/19/173051819.db2.gz OIRKECHBJWMBGP-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](CO)CC1 ZINC000339750622 173051820 /nfs/dbraw/zinc/05/18/20/173051820.db2.gz OIRKECHBJWMBGP-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN(CCCn3ccnc3)C2)C1 ZINC000366518833 173138951 /nfs/dbraw/zinc/13/89/51/173138951.db2.gz IMLLNQAAWMCCTL-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN(CCCn3ccnc3)C2)C1 ZINC000366518833 173138952 /nfs/dbraw/zinc/13/89/52/173138952.db2.gz IMLLNQAAWMCCTL-CQSZACIVSA-N 1 3 248.374 1.301 20 0 BDADHO C[NH2+]CC1CCN(CCOCC(C)C)CC1 ZINC000234361684 173338685 /nfs/dbraw/zinc/33/86/85/173338685.db2.gz SYZXCSALYVGYKR-UHFFFAOYSA-N 1 3 228.380 1.590 20 0 BDADHO C[NH2+]CCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000043605822 173340674 /nfs/dbraw/zinc/34/06/74/173340674.db2.gz HVCROAWSZQBLAR-CYBMUJFWSA-N 1 3 249.358 1.015 20 0 BDADHO C[NH2+]CCCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000121220292 173348034 /nfs/dbraw/zinc/34/80/34/173348034.db2.gz REEJCEJKTCJZRM-WCQYABFASA-N 1 3 249.358 1.048 20 0 BDADHO COCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567045 174179793 /nfs/dbraw/zinc/17/97/93/174179793.db2.gz CFOIPCVBCHVDLM-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO COc1ccc(CCN2CC[C@@H](C[NH3+])C2)cc1 ZINC000011891373 175091117 /nfs/dbraw/zinc/09/11/17/175091117.db2.gz UJKZQQAKTDPEPC-ZDUSSCGKSA-N 1 3 234.343 1.518 20 0 BDADHO COc1ccccc1C[C@H](C)[NH2+]CCCN ZINC000037713773 175333149 /nfs/dbraw/zinc/33/31/49/175333149.db2.gz PUKUEFBGSOEMQP-NSHDSACASA-N 1 3 222.332 1.565 20 0 BDADHO COc1ccccc1C[C@H](C)NCCC[NH3+] ZINC000037713773 175333150 /nfs/dbraw/zinc/33/31/50/175333150.db2.gz PUKUEFBGSOEMQP-NSHDSACASA-N 1 3 222.332 1.565 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc2c1NCC2 ZINC000336225312 176367810 /nfs/dbraw/zinc/36/78/10/176367810.db2.gz ICOAEKLRCQPGON-NEPJUHHUSA-N 1 3 245.370 1.824 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000122372021 176367982 /nfs/dbraw/zinc/36/79/82/176367982.db2.gz RVXGLJDHMBPUSE-OCCSQVGLSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCc1ccccc1 ZINC000122372021 176367984 /nfs/dbraw/zinc/36/79/84/176367984.db2.gz RVXGLJDHMBPUSE-OCCSQVGLSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1ccccc1 ZINC000122372021 176367985 /nfs/dbraw/zinc/36/79/85/176367985.db2.gz RVXGLJDHMBPUSE-OCCSQVGLSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2nccs2)CC[N@@H+]1C ZINC000127840531 176376199 /nfs/dbraw/zinc/37/61/99/176376199.db2.gz IPLFDPLRWVTZTH-MNOVXSKESA-N 1 3 239.388 1.758 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2nccs2)CC[N@H+]1C ZINC000127840531 176376201 /nfs/dbraw/zinc/37/62/01/176376201.db2.gz IPLFDPLRWVTZTH-MNOVXSKESA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000331928456 177001052 /nfs/dbraw/zinc/00/10/52/177001052.db2.gz HIHPMLLRVYVKAJ-YFKTTZPYSA-N 1 3 214.353 1.395 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)CN(C)C ZINC000336722164 177239203 /nfs/dbraw/zinc/23/92/03/177239203.db2.gz STRKIVJOUIRNCD-XJFOESAGSA-N 1 3 241.423 1.502 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000133255551 177254757 /nfs/dbraw/zinc/25/47/57/177254757.db2.gz PRXNNBAHHAVDAE-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@H](CN(C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235660188 177361400 /nfs/dbraw/zinc/36/14/00/177361400.db2.gz XMTQVRCUQVIQIJ-NWDGAFQWSA-N 1 3 236.363 1.240 20 0 BDADHO C[C@H]1C[C@H](CN2CCOCC2(C)C)CC[NH2+]1 ZINC000235662306 177362453 /nfs/dbraw/zinc/36/24/53/177362453.db2.gz ANNDEBCMAWPCFP-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO c1ccc2c(c1)CCN(C[C@H]1CC[NH2+]C1)CC2 ZINC000079572232 487642849 /nfs/dbraw/zinc/64/28/49/487642849.db2.gz DLKLQEREHNLNKQ-ZDUSSCGKSA-N 1 3 230.355 1.697 20 0 BDADHO C[NH+](C)CCOCCNC/C=C\c1ccncc1 ZINC000487569531 225315136 /nfs/dbraw/zinc/31/51/36/225315136.db2.gz GMTJUSWKFDWFHA-ARJAWSKDSA-N 1 3 249.358 1.263 20 0 BDADHO C[C@H](NCCN1CCCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400704786 226349818 /nfs/dbraw/zinc/34/98/18/226349818.db2.gz KQLLEOLCZGBVOZ-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO CCOCCCN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029902 487653806 /nfs/dbraw/zinc/65/38/06/487653806.db2.gz YPIQQQOWGFMRJP-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCCN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226029175 487654368 /nfs/dbraw/zinc/65/43/68/487654368.db2.gz YRYLSENWZNCVFI-WDEREUQCSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)[C@H](C)[NH3+] ZINC000662568283 487660771 /nfs/dbraw/zinc/66/07/71/487660771.db2.gz QSYCHHXWOYNPFZ-CWSCBRNRSA-N 1 3 247.342 1.073 20 0 BDADHO C[C@H]1C[C@H]([NH3+])CCN1CCCc1cncn1C ZINC000314899754 487670350 /nfs/dbraw/zinc/67/03/50/487670350.db2.gz NFIBPAIYIDAVCX-NWDGAFQWSA-N 1 3 236.363 1.164 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000250631731 487737456 /nfs/dbraw/zinc/73/74/56/487737456.db2.gz DEOZPXZMRLMUES-QJPTWQEYSA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H](C)[NH3+])C1(C)C ZINC000233766636 487739872 /nfs/dbraw/zinc/73/98/72/487739872.db2.gz VUULUWLACQZUCG-KXUCPTDWSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@H]1[N@H+](CCCN)CCC12CCOCC2 ZINC000334837161 487775636 /nfs/dbraw/zinc/77/56/36/487775636.db2.gz JWFNMOXYDFEVIL-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@H]1[N@@H+](CCCN)CCC12CCOCC2 ZINC000334837161 487775642 /nfs/dbraw/zinc/77/56/42/487775642.db2.gz JWFNMOXYDFEVIL-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO CC[C@H](C(=O)N(C)CCCC[NH+](C)C)N(C)C ZINC000675801302 487780482 /nfs/dbraw/zinc/78/04/82/487780482.db2.gz CENKEZOBLCLMRS-GFCCVEGCSA-N 1 3 243.395 1.127 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797949 /nfs/dbraw/zinc/79/79/49/487797949.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797951 /nfs/dbraw/zinc/79/79/51/487797951.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797956 /nfs/dbraw/zinc/79/79/56/487797956.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCOC3)CC[C@@H]21 ZINC000675983298 487797961 /nfs/dbraw/zinc/79/79/61/487797961.db2.gz PBERLFULPMERJY-MCIONIFRSA-N 1 3 238.375 1.582 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251862938 487803798 /nfs/dbraw/zinc/80/37/98/487803798.db2.gz SZTMSVLJDDDWEF-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1N ZINC000251862938 487803805 /nfs/dbraw/zinc/80/38/05/487803805.db2.gz SZTMSVLJDDDWEF-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@@H+](CC[C@@H]2CCCO2)CC[C@H]1N ZINC000251862938 487803810 /nfs/dbraw/zinc/80/38/10/487803810.db2.gz SZTMSVLJDDDWEF-FRRDWIJNSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@H]2CCOC2)CC[C@H]1N ZINC000251879939 487804743 /nfs/dbraw/zinc/80/47/43/487804743.db2.gz VDFJSUUYPJRFCB-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@H]1N ZINC000251879939 487804748 /nfs/dbraw/zinc/80/47/48/487804748.db2.gz VDFJSUUYPJRFCB-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@@H]1CN(C[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000251879939 487804753 /nfs/dbraw/zinc/80/47/53/487804753.db2.gz VDFJSUUYPJRFCB-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](NCCC[NH3+])[C@H]1COc2ccccc21 ZINC000415088250 487809274 /nfs/dbraw/zinc/80/92/74/487809274.db2.gz VYJATYOEKRCNIY-CMPLNLGQSA-N 1 3 220.316 1.490 20 0 BDADHO C[C@H]([NH2+]CCCN)[C@H]1COc2ccccc21 ZINC000415088250 487809278 /nfs/dbraw/zinc/80/92/78/487809278.db2.gz VYJATYOEKRCNIY-CMPLNLGQSA-N 1 3 220.316 1.490 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000414699054 487817378 /nfs/dbraw/zinc/81/73/78/487817378.db2.gz DVXGFSYAHJHBHJ-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO NCCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000414699054 487817381 /nfs/dbraw/zinc/81/73/81/487817381.db2.gz DVXGFSYAHJHBHJ-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]CCCN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000414699054 487817384 /nfs/dbraw/zinc/81/73/84/487817384.db2.gz DVXGFSYAHJHBHJ-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO NCCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000414699057 487817583 /nfs/dbraw/zinc/81/75/83/487817583.db2.gz DVXGFSYAHJHBHJ-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO NCCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000414699057 487817588 /nfs/dbraw/zinc/81/75/88/487817588.db2.gz DVXGFSYAHJHBHJ-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]CCCN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000414699057 487817594 /nfs/dbraw/zinc/81/75/94/487817594.db2.gz DVXGFSYAHJHBHJ-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCCN ZINC000414702206 487818600 /nfs/dbraw/zinc/81/86/00/487818600.db2.gz HTRCEOKNODABCM-VXGBXAGGSA-N 1 3 228.380 1.861 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCN ZINC000414702206 487818605 /nfs/dbraw/zinc/81/86/05/487818605.db2.gz HTRCEOKNODABCM-VXGBXAGGSA-N 1 3 228.380 1.861 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000414754085 487821171 /nfs/dbraw/zinc/82/11/71/487821171.db2.gz FQULRPDDKMETCV-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO NCCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000414754085 487821174 /nfs/dbraw/zinc/82/11/74/487821174.db2.gz FQULRPDDKMETCV-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO CC(C)c1ccc([C@H](N)CNCCC[NH3+])cc1 ZINC000414835351 487825572 /nfs/dbraw/zinc/82/55/72/487825572.db2.gz RPISDUKBNHRDFM-CQSZACIVSA-N 1 3 235.375 1.748 20 0 BDADHO CCO[C@@H]1CN(CCSCC)C[C@H]1C[NH3+] ZINC000405840991 487832504 /nfs/dbraw/zinc/83/25/04/487832504.db2.gz FNENAGDHDBVSJT-GHMZBOCLSA-N 1 3 232.393 1.035 20 0 BDADHO CCCN1CC[C@@H](NC(=O)[C@@](C)([NH3+])CCC)C1 ZINC000389737948 487834051 /nfs/dbraw/zinc/83/40/51/487834051.db2.gz LFSZXPAVXYCAOZ-YPMHNXCESA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)[C@@H]([NH2+]CCCN)C1(CO)CCCC1 ZINC000415104732 487837779 /nfs/dbraw/zinc/83/77/79/487837779.db2.gz LKIFBXFHFKRBTE-GFCCVEGCSA-N 1 3 228.380 1.502 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCSC2)CC[C@@H]1N ZINC000224620609 487848685 /nfs/dbraw/zinc/84/86/85/487848685.db2.gz INXFWLATGFKOAH-TUAOUCFPSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CC[C@@H]1N ZINC000224620609 487848689 /nfs/dbraw/zinc/84/86/89/487848689.db2.gz INXFWLATGFKOAH-TUAOUCFPSA-N 1 3 228.405 1.799 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCSC2)CC[C@@H]1[NH3+] ZINC000224620609 487848696 /nfs/dbraw/zinc/84/86/96/487848696.db2.gz INXFWLATGFKOAH-TUAOUCFPSA-N 1 3 228.405 1.799 20 0 BDADHO [NH3+]CCCN1CC[C@H](Cc2ccncc2)C1 ZINC000666693963 487862122 /nfs/dbraw/zinc/86/21/22/487862122.db2.gz URVSFYIXEGKIKE-CYBMUJFWSA-N 1 3 219.332 1.295 20 0 BDADHO [NH3+]CCCN1CC[C@@H](Cc2ccncc2)C1 ZINC000666693964 487862249 /nfs/dbraw/zinc/86/22/49/487862249.db2.gz URVSFYIXEGKIKE-ZDUSSCGKSA-N 1 3 219.332 1.295 20 0 BDADHO CC(C)[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000666770218 487877528 /nfs/dbraw/zinc/87/75/28/487877528.db2.gz PKDDYKOAJYXNEK-MJBXVCDLSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000053199443 487883999 /nfs/dbraw/zinc/88/39/99/487883999.db2.gz ZXOFPQQLHQYSMJ-AVGNSLFASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H](CN)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000666826292 487887299 /nfs/dbraw/zinc/88/72/99/487887299.db2.gz UEQZNVLCUXMYKR-RYUDHWBXSA-N 1 3 234.343 1.737 20 0 BDADHO CC[C@@H]1CN(CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000403813908 487890357 /nfs/dbraw/zinc/89/03/57/487890357.db2.gz LKFKCGZCJZYCQD-WCQYABFASA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H]1CCC[NH2+]CC1 ZINC000666857867 487891631 /nfs/dbraw/zinc/89/16/31/487891631.db2.gz NFVFPDYZGKXZTR-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@@H]1CCCNCC1 ZINC000666857867 487891637 /nfs/dbraw/zinc/89/16/37/487891637.db2.gz NFVFPDYZGKXZTR-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCc2cnc3ccccn23)C1 ZINC000666852279 487891244 /nfs/dbraw/zinc/89/12/44/487891244.db2.gz YLVAJBNTNDYOJV-VXGBXAGGSA-N 1 3 244.342 1.694 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000403809732 487891733 /nfs/dbraw/zinc/89/17/33/487891733.db2.gz KJHULAXKYXSEMQ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993845 487902032 /nfs/dbraw/zinc/90/20/32/487902032.db2.gz NXTKYPWVADBOKJ-WOPDTQHZSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)n1nccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666953770 487916184 /nfs/dbraw/zinc/91/61/84/487916184.db2.gz HKLDICJTVLZLOB-ZDUSSCGKSA-N 1 3 248.374 1.696 20 0 BDADHO Cc1cnccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000229658783 487935435 /nfs/dbraw/zinc/93/54/35/487935435.db2.gz ZTMIEWBFIISWQN-JSGCOSHPSA-N 1 3 233.359 1.997 20 0 BDADHO COC[C@@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000134896537 323025969 /nfs/dbraw/zinc/02/59/69/323025969.db2.gz IMRDIFXEXDGJDU-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000134896537 323025970 /nfs/dbraw/zinc/02/59/70/323025970.db2.gz IMRDIFXEXDGJDU-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CS1 ZINC000306873754 323032552 /nfs/dbraw/zinc/03/25/52/323032552.db2.gz YHVBKUSZKZTBLS-ZNSHCXBVSA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CS1 ZINC000306873754 323032553 /nfs/dbraw/zinc/03/25/53/323032553.db2.gz YHVBKUSZKZTBLS-ZNSHCXBVSA-N 1 3 214.378 1.740 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000562962865 323036674 /nfs/dbraw/zinc/03/66/74/323036674.db2.gz UUZMCCOCFUTKAS-WZRBSPASSA-N 1 3 248.374 1.657 20 0 BDADHO CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000569825394 323041983 /nfs/dbraw/zinc/04/19/83/323041983.db2.gz PGGASKYVOKUKRB-RYUDHWBXSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)[NH+](CCCN[C@@H](C)[C@@H](C)O)C(C)C ZINC000570156008 323051228 /nfs/dbraw/zinc/05/12/28/323051228.db2.gz UOHNIINQXBBSSV-QWHCGFSZSA-N 1 3 230.396 1.854 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC000570722176 323068616 /nfs/dbraw/zinc/06/86/16/323068616.db2.gz CPRSHQBCQKHOFB-QWRGUYRKSA-N 1 3 249.358 1.214 20 0 BDADHO CC(C)COCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397301887 323090298 /nfs/dbraw/zinc/09/02/98/323090298.db2.gz KRWQRTRINBFFTJ-RDBSUJKOSA-N 1 3 242.407 1.964 20 0 BDADHO [NH3+]CCCN1CC[C@@H](c2cccnc2)C1 ZINC000563135451 323094613 /nfs/dbraw/zinc/09/46/13/323094613.db2.gz MNZCUBZRXPUVHC-GFCCVEGCSA-N 1 3 205.305 1.220 20 0 BDADHO Cc1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000563427343 323126211 /nfs/dbraw/zinc/12/62/11/323126211.db2.gz YZGBQJOUZSUZGR-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)cn1 ZINC000563427343 323126212 /nfs/dbraw/zinc/12/62/12/323126212.db2.gz YZGBQJOUZSUZGR-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO Cn1ccc(CNCCCC[N@H+](C)C2CC2)n1 ZINC000563510001 323128328 /nfs/dbraw/zinc/12/83/28/323128328.db2.gz GKBRIHNDUPORBG-UHFFFAOYSA-N 1 3 236.363 1.384 20 0 BDADHO Cn1ccc(CNCCCC[N@@H+](C)C2CC2)n1 ZINC000563510001 323128329 /nfs/dbraw/zinc/12/83/29/323128329.db2.gz GKBRIHNDUPORBG-UHFFFAOYSA-N 1 3 236.363 1.384 20 0 BDADHO CC[C@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571300987 323140858 /nfs/dbraw/zinc/14/08/58/323140858.db2.gz BXPQHSZVZVHPNW-NSHDSACASA-N 1 3 233.315 1.008 20 0 BDADHO C[C@@H](Cc1ccsc1)NC[C@H](O)C[NH+](C)C ZINC000049181696 323158588 /nfs/dbraw/zinc/15/85/88/323158588.db2.gz WVKNHRIIIOBUSN-JQWIXIFHSA-N 1 3 242.388 1.191 20 0 BDADHO COCCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000530240988 324554127 /nfs/dbraw/zinc/55/41/27/324554127.db2.gz AJAZRNCPUCWRHN-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@@H](C)C[NH2+]CCCN1CCC(C)CC1 ZINC000131706727 325178452 /nfs/dbraw/zinc/17/84/52/325178452.db2.gz UOPHLHYNWZKKSW-AWEZNQCLSA-N 1 3 242.407 1.981 20 0 BDADHO COC[C@H](C)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000134896499 325381500 /nfs/dbraw/zinc/38/15/00/325381500.db2.gz IMRDIFXEXDGJDU-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@H](C)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000134896499 325381502 /nfs/dbraw/zinc/38/15/02/325381502.db2.gz IMRDIFXEXDGJDU-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566481544 326055669 /nfs/dbraw/zinc/05/56/69/326055669.db2.gz IJQGSRAJXPQXNK-YFXGRDGWSA-N 1 3 212.337 1.173 20 0 BDADHO [NH3+]C1(CNC[C@H]2CCCC[C@@H]2O)CCC1 ZINC000566743220 326079603 /nfs/dbraw/zinc/07/96/03/326079603.db2.gz PGWVXFADYGDPSW-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO N[C@H]1CCCc2cn(CC[C@H]3CC[NH2+]C3)nc21 ZINC000567673766 326242590 /nfs/dbraw/zinc/24/25/90/326242590.db2.gz GTXMZBORJWTSNR-PWSUYJOCSA-N 1 3 234.347 1.219 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccn(C)c1 ZINC000157112901 326257281 /nfs/dbraw/zinc/25/72/81/326257281.db2.gz JWHMCUBBZNEYLN-AAEUAGOBSA-N 1 3 221.348 1.455 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccn(C)c1 ZINC000157112901 326257283 /nfs/dbraw/zinc/25/72/83/326257283.db2.gz JWHMCUBBZNEYLN-AAEUAGOBSA-N 1 3 221.348 1.455 20 0 BDADHO Cc1noc(C)c1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000568247224 326333938 /nfs/dbraw/zinc/33/39/38/326333938.db2.gz FPHNJPZBQJCONE-RYUDHWBXSA-N 1 3 237.347 1.693 20 0 BDADHO CCC[C@](C)(N)C(=O)NCCC[NH2+]C(C)C ZINC000568737895 326374135 /nfs/dbraw/zinc/37/41/35/326374135.db2.gz BQZZLKBHETXUQV-LBPRGKRZSA-N 1 3 229.368 1.008 20 0 BDADHO Cc1cccc(NCCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000568900759 326382107 /nfs/dbraw/zinc/38/21/07/326382107.db2.gz DYBRRDSGQUVKNU-OLZOCXBDSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@H](C(=O)N(C)CCC[NH3+])N1CCCCCC1 ZINC000158749730 487974511 /nfs/dbraw/zinc/97/45/11/487974511.db2.gz GNIJWHDDALCYGU-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO Cc1ccccc1OCCNCCC[NH3+] ZINC000309537557 487983708 /nfs/dbraw/zinc/98/37/08/487983708.db2.gz FOQBFHHZPKBQRV-UHFFFAOYSA-N 1 3 208.305 1.312 20 0 BDADHO CNC[C@H](C)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000663510137 488055579 /nfs/dbraw/zinc/05/55/79/488055579.db2.gz CJQGLKYOBPNFMQ-RYUDHWBXSA-N 1 3 238.379 1.593 20 0 BDADHO N[C@@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000669510682 488113495 /nfs/dbraw/zinc/11/34/95/488113495.db2.gz PMOVJDXNRFMWOI-LBPRGKRZSA-N 1 3 247.342 1.074 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667775318 488118096 /nfs/dbraw/zinc/11/80/96/488118096.db2.gz JATVTJIJTIFOJC-ZIAGYGMSSA-N 1 3 240.391 1.874 20 0 BDADHO Cc1ccc(CC[NH2+]CCCN)c(C)c1 ZINC000258689941 488128385 /nfs/dbraw/zinc/12/83/85/488128385.db2.gz FSACDRIRKLVGSZ-UHFFFAOYSA-N 1 3 206.333 1.784 20 0 BDADHO Cc1ccc(CCNCCC[NH3+])c(C)c1 ZINC000258689941 488128387 /nfs/dbraw/zinc/12/83/87/488128387.db2.gz FSACDRIRKLVGSZ-UHFFFAOYSA-N 1 3 206.333 1.784 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOCc1ccccc1 ZINC000309747379 487540557 /nfs/dbraw/zinc/54/05/57/487540557.db2.gz UWJHTLMVDPEMDA-UKRRQHHQSA-N 1 3 248.370 1.872 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000381082178 487494444 /nfs/dbraw/zinc/49/44/44/487494444.db2.gz RRCKWKSEGOMDKE-GFCCVEGCSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000381082178 487494445 /nfs/dbraw/zinc/49/44/45/487494445.db2.gz RRCKWKSEGOMDKE-GFCCVEGCSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)C[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000169816233 487508439 /nfs/dbraw/zinc/50/84/39/487508439.db2.gz MVBUIBZEOLNLAY-LBPRGKRZSA-N 1 3 235.331 1.457 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000169816509 487509290 /nfs/dbraw/zinc/50/92/90/487509290.db2.gz HFWKPPAYGRCSPU-CABZTGNLSA-N 1 3 235.331 1.457 20 0 BDADHO CC(C)C[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000161879414 487523145 /nfs/dbraw/zinc/52/31/45/487523145.db2.gz KOIKJYZNRUUXPF-VXGBXAGGSA-N 1 3 243.395 1.192 20 0 BDADHO C[C@H](CO)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000683228142 488134818 /nfs/dbraw/zinc/13/48/18/488134818.db2.gz VTQLBRKUVIUHSU-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](CO)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000683228142 488134822 /nfs/dbraw/zinc/13/48/22/488134822.db2.gz VTQLBRKUVIUHSU-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@H](CO)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000683228142 488134826 /nfs/dbraw/zinc/13/48/26/488134826.db2.gz VTQLBRKUVIUHSU-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CCN1C ZINC000397780381 488148772 /nfs/dbraw/zinc/14/87/72/488148772.db2.gz ORKLILSFYLHUBB-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO COCC1([N@H+](C)CC[C@H]2CCCN2C)CC1 ZINC000678084511 488193816 /nfs/dbraw/zinc/19/38/16/488193816.db2.gz XTAAGHMBWZJNPN-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO COCC1([N@@H+](C)CC[C@H]2CCCN2C)CC1 ZINC000678084511 488193818 /nfs/dbraw/zinc/19/38/18/488193818.db2.gz XTAAGHMBWZJNPN-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO C[NH+]1CCC(C)(CN[C@@H]2CCn3ccnc32)CC1 ZINC000335916510 488200291 /nfs/dbraw/zinc/20/02/91/488200291.db2.gz UNTUMUPIGCASCE-GFCCVEGCSA-N 1 3 248.374 1.649 20 0 BDADHO COC[C@@H](NCC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000398131273 488211976 /nfs/dbraw/zinc/21/19/76/488211976.db2.gz SYINVPFFEAKNFF-VXGBXAGGSA-N 1 3 214.353 1.374 20 0 BDADHO COC[C@H](NCC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000398131269 488212266 /nfs/dbraw/zinc/21/22/66/488212266.db2.gz SYINVPFFEAKNFF-NEPJUHHUSA-N 1 3 214.353 1.374 20 0 BDADHO C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000228554421 490291225 /nfs/dbraw/zinc/29/12/25/490291225.db2.gz RUTHAICUCNWNGL-WDEREUQCSA-N 1 3 214.378 1.471 20 0 BDADHO c1cc(CN2CCSCC2)c2c(c1)C[NH2+]CC2 ZINC000123888778 490268727 /nfs/dbraw/zinc/26/87/27/490268727.db2.gz PRRUTYQZDVGIHI-UHFFFAOYSA-N 1 3 248.395 1.881 20 0 BDADHO Cn1cncc1CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401633306 490581737 /nfs/dbraw/zinc/58/17/37/490581737.db2.gz BEWQCXFPXYADHA-QWHCGFSZSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cncc1CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000401633306 490581741 /nfs/dbraw/zinc/58/17/41/490581741.db2.gz BEWQCXFPXYADHA-QWHCGFSZSA-N 1 3 248.374 1.179 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000223894430 491116251 /nfs/dbraw/zinc/11/62/51/491116251.db2.gz YTTYLMAJYFGYSP-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000400613433 491132913 /nfs/dbraw/zinc/13/29/13/491132913.db2.gz XFTBOVRZIUZWSU-KGLIPLIRSA-N 1 3 240.391 1.733 20 0 BDADHO CC[NH+](CC)CCCN[C@]1(CC)CCOC1 ZINC000309638806 491153355 /nfs/dbraw/zinc/15/33/55/491153355.db2.gz KGESSGOWFCILQX-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CCN(CC)CCC[NH2+][C@]1(CC)CCOC1 ZINC000309638806 491153356 /nfs/dbraw/zinc/15/33/56/491153356.db2.gz KGESSGOWFCILQX-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO C[C@H](NCCN1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000400764522 533856799 /nfs/dbraw/zinc/85/67/99/533856799.db2.gz YZOCQUYGBWYLQV-UONOGXRCSA-N 1 3 239.407 1.448 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000223191897 535589900 /nfs/dbraw/zinc/58/99/00/535589900.db2.gz VOCCZUXRNFBRGP-MELADBBJSA-N 1 3 241.423 1.789 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000400597663 534035082 /nfs/dbraw/zinc/03/50/82/534035082.db2.gz DBCDWXPLOVPMTO-JHJVBQTASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000400597663 534035093 /nfs/dbraw/zinc/03/50/93/534035093.db2.gz DBCDWXPLOVPMTO-JHJVBQTASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000400597663 534035102 /nfs/dbraw/zinc/03/51/02/534035102.db2.gz DBCDWXPLOVPMTO-JHJVBQTASA-N 1 3 226.364 1.330 20 0 BDADHO C[C@H]1OCCN(CC2CC[NH+](C)CC2)[C@H]1C ZINC000892048171 582773517 /nfs/dbraw/zinc/77/35/17/582773517.db2.gz IAZZORHYRIOUPK-NWDGAFQWSA-N 1 3 226.364 1.437 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000217611609 536353472 /nfs/dbraw/zinc/35/34/72/536353472.db2.gz XTWZNTCZGIEMQK-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000217611609 536353474 /nfs/dbraw/zinc/35/34/74/536353474.db2.gz XTWZNTCZGIEMQK-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO COC[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000173533863 536522659 /nfs/dbraw/zinc/52/26/59/536522659.db2.gz XRVDOGSUVZEDAT-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000494659996 528922407 /nfs/dbraw/zinc/92/24/07/528922407.db2.gz DBUQEAMRLSJIIC-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495100839 528970199 /nfs/dbraw/zinc/97/01/99/528970199.db2.gz KJFCALJUXXPCBF-QWRGUYRKSA-N 1 3 229.368 1.138 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251317836 535150456 /nfs/dbraw/zinc/15/04/56/535150456.db2.gz LNSQVRFMNHHJOJ-MELADBBJSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251317836 535150458 /nfs/dbraw/zinc/15/04/58/535150458.db2.gz LNSQVRFMNHHJOJ-MELADBBJSA-N 1 3 240.391 1.419 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000261540124 535527186 /nfs/dbraw/zinc/52/71/86/535527186.db2.gz DTOJTHXRXBZCFB-DGCLKSJQSA-N 1 3 243.395 1.350 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000261540124 535527189 /nfs/dbraw/zinc/52/71/89/535527189.db2.gz DTOJTHXRXBZCFB-DGCLKSJQSA-N 1 3 243.395 1.350 20 0 BDADHO CC[NH+](CC)[C@H](CNC(=O)CNC)CC(C)C ZINC000164407727 535670428 /nfs/dbraw/zinc/67/04/28/535670428.db2.gz VZLCURDEHRZDIZ-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO CC[C@@H]1COCCN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000261533655 535834501 /nfs/dbraw/zinc/83/45/01/535834501.db2.gz JJWPHLROIHTELN-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361763070 536140988 /nfs/dbraw/zinc/14/09/88/536140988.db2.gz MHHGTXULQMRMPT-LBPRGKRZSA-N 1 3 247.342 1.162 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000261530963 536706533 /nfs/dbraw/zinc/70/65/33/536706533.db2.gz DQZZXKDYPCJDGX-YFKTTZPYSA-N 1 3 212.337 1.271 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000893094011 583048544 /nfs/dbraw/zinc/04/85/44/583048544.db2.gz CUVJIGULBKVHQZ-UHTWSYAYSA-N 1 3 242.363 1.400 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCC2SCCS2)C1 ZINC000853023510 588716713 /nfs/dbraw/zinc/71/67/13/588716713.db2.gz ZLVOGPLFGFRQJP-VHSXEESVSA-N 1 3 246.445 1.852 20 0 BDADHO C1=C[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000854221805 588780144 /nfs/dbraw/zinc/78/01/44/588780144.db2.gz VRUNRWJBEAEJNI-RFQIPJPRSA-N 1 3 236.359 1.452 20 0 BDADHO C([NH2+][C@@H]1CC[C@H]1C1CC1)C12CC(C1)CN2 ZINC000854228327 588780866 /nfs/dbraw/zinc/78/08/66/588780866.db2.gz VFQGKYVWIDMPJJ-QYIFAOSHSA-N 1 3 206.333 1.517 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCC1SCCS1 ZINC000854231936 588781361 /nfs/dbraw/zinc/78/13/61/588781361.db2.gz POZWICSCLVWWAS-DTWKUNHWSA-N 1 3 232.418 1.652 20 0 BDADHO Cc1cc(N(C)CC2CC[NH+](C)CC2)nc(N)n1 ZINC000112733887 588814895 /nfs/dbraw/zinc/81/48/95/588814895.db2.gz SXDYSSWQUQMFHI-UHFFFAOYSA-N 1 3 249.362 1.145 20 0 BDADHO C[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CCCC1 ZINC000112800791 588817167 /nfs/dbraw/zinc/81/71/67/588817167.db2.gz DFMFSAQJZNWOBB-JTQLQIEISA-N 1 3 226.368 1.383 20 0 BDADHO C[NH+]1CCC(CN2CCOCC2(C)C)CC1 ZINC000891777470 582719294 /nfs/dbraw/zinc/71/92/94/582719294.db2.gz CJLHECLKCYLBRL-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CNc2ccncc2CO)C1 ZINC000892080323 582786583 /nfs/dbraw/zinc/78/65/83/582786583.db2.gz FHZBKDICHFKZNA-LBPRGKRZSA-N 1 3 249.358 1.138 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CNc2ccncc2CO)C1 ZINC000892080323 582786585 /nfs/dbraw/zinc/78/65/85/582786585.db2.gz FHZBKDICHFKZNA-LBPRGKRZSA-N 1 3 249.358 1.138 20 0 BDADHO CC(C)CCNC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004196 582821901 /nfs/dbraw/zinc/82/19/01/582821901.db2.gz GVDPWINLZOIHHJ-LBPRGKRZSA-N 1 3 240.395 1.488 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNc1ccncc1CO ZINC000892285103 582827339 /nfs/dbraw/zinc/82/73/39/582827339.db2.gz SBBWZQRBOKHFSL-NSHDSACASA-N 1 3 237.347 1.138 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNc1ccncc1CO ZINC000892285103 582827341 /nfs/dbraw/zinc/82/73/41/582827341.db2.gz SBBWZQRBOKHFSL-NSHDSACASA-N 1 3 237.347 1.138 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892668841 582946750 /nfs/dbraw/zinc/94/67/50/582946750.db2.gz RIDFHIRHNXMKNE-DGCLKSJQSA-N 1 3 242.363 1.260 20 0 BDADHO Cc1ncoc1CN1CCC(C[NH+](C)C)CC1 ZINC000893940828 583255473 /nfs/dbraw/zinc/25/54/73/583255473.db2.gz QIEGVCPXTHXVRB-UHFFFAOYSA-N 1 3 237.347 1.757 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000841848806 583364092 /nfs/dbraw/zinc/36/40/92/583364092.db2.gz FCJFGEWTUWAUCN-AWEZNQCLSA-N 1 3 249.358 1.249 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)C1CNC1 ZINC000857253174 588901323 /nfs/dbraw/zinc/90/13/23/588901323.db2.gz IFYSSOXNZOTOAD-IONNQARKSA-N 1 3 237.174 1.768 20 0 BDADHO Cc1ccnc(N)c1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000894253715 583393570 /nfs/dbraw/zinc/39/35/70/583393570.db2.gz GXWBVENTVDDQHU-GFCCVEGCSA-N 1 3 248.374 1.404 20 0 BDADHO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cccc(CN)c1 ZINC000841855823 583419744 /nfs/dbraw/zinc/41/97/44/583419744.db2.gz ILQILFKLHDBXAP-GFCCVEGCSA-N 1 3 247.342 1.016 20 0 BDADHO CC[C@@H]1CN(C)CC[N@@H+]1CC1CCN(C)CC1 ZINC000894640399 583499666 /nfs/dbraw/zinc/49/96/66/583499666.db2.gz CBBMJAYJBLHHCZ-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO CC[C@@H]1CN(C)CC[N@H+]1CC1CCN(C)CC1 ZINC000894640399 583499669 /nfs/dbraw/zinc/49/96/69/583499669.db2.gz CBBMJAYJBLHHCZ-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO CO[C@@H]1CC[N@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000894720307 583512899 /nfs/dbraw/zinc/51/28/99/583512899.db2.gz UUUYSAIKXOPZCX-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CO[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C[C@H]1C ZINC000894720307 583512900 /nfs/dbraw/zinc/51/29/00/583512900.db2.gz UUUYSAIKXOPZCX-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000894866743 583537699 /nfs/dbraw/zinc/53/76/99/583537699.db2.gz APVWIANGIDUFGO-RYUDHWBXSA-N 1 3 226.389 1.518 20 0 BDADHO CN1CCC(C[N@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000894866743 583537700 /nfs/dbraw/zinc/53/77/00/583537700.db2.gz APVWIANGIDUFGO-RYUDHWBXSA-N 1 3 226.389 1.518 20 0 BDADHO C[C@@H](NCC1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000894866621 583537777 /nfs/dbraw/zinc/53/77/77/583537777.db2.gz ZBNYFAPYLNPMBL-LLVKDONJSA-N 1 3 236.363 1.413 20 0 BDADHO CC[C@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000895146276 583604515 /nfs/dbraw/zinc/60/45/15/583604515.db2.gz DQBAFBZPNCTSJE-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)N(C)C)C1 ZINC000895290783 583637451 /nfs/dbraw/zinc/63/74/51/583637451.db2.gz UIRXYKOOHPYNSO-IJLUTSLNSA-N 1 3 242.363 1.258 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](NCC[C@@H](C)[NH+](C)C)C1 ZINC000895290783 583637453 /nfs/dbraw/zinc/63/74/53/583637453.db2.gz UIRXYKOOHPYNSO-IJLUTSLNSA-N 1 3 242.363 1.258 20 0 BDADHO CCO[C@@H](CNC[C@H]1CCC=CO1)C[NH+](C)C ZINC000896879531 583844830 /nfs/dbraw/zinc/84/48/30/583844830.db2.gz CWCHVTSQNZVDKY-OLZOCXBDSA-N 1 3 242.363 1.235 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNc1ccnc(CO)c1 ZINC000858386280 588950208 /nfs/dbraw/zinc/95/02/08/588950208.db2.gz ITTGHKXRSBKUMT-LLVKDONJSA-N 1 3 237.347 1.716 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNc1ccnc(CO)c1 ZINC000858386280 588950209 /nfs/dbraw/zinc/95/02/09/588950209.db2.gz ITTGHKXRSBKUMT-LLVKDONJSA-N 1 3 237.347 1.716 20 0 BDADHO CCC[C@H](CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000897620273 584032685 /nfs/dbraw/zinc/03/26/85/584032685.db2.gz KOJHDTFSLNOKFP-BFHYXJOUSA-N 1 3 240.391 1.685 20 0 BDADHO CCC[C@H](CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000897620273 584032687 /nfs/dbraw/zinc/03/26/87/584032687.db2.gz KOJHDTFSLNOKFP-BFHYXJOUSA-N 1 3 240.391 1.685 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840930 584053360 /nfs/dbraw/zinc/05/33/60/584053360.db2.gz JORIJCPRGBQJCO-JJMZSNKZSA-N 1 3 238.375 1.362 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840930 584053361 /nfs/dbraw/zinc/05/33/61/584053361.db2.gz JORIJCPRGBQJCO-JJMZSNKZSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000873238637 584128300 /nfs/dbraw/zinc/12/83/00/584128300.db2.gz DDOGPVMORZPFSJ-DCAQKATOSA-N 1 3 222.336 1.578 20 0 BDADHO Cc1nccnc1[C@@H](C)N[C@H](C)CCCC[NH3+] ZINC000873296206 584129333 /nfs/dbraw/zinc/12/93/33/584129333.db2.gz CTHHSXFIWXOJJL-ZYHUDNBSSA-N 1 3 236.363 1.953 20 0 BDADHO Cc1nccnc1[C@H](C)N[C@H](C)CCCC[NH3+] ZINC000873296205 584129344 /nfs/dbraw/zinc/12/93/44/584129344.db2.gz CTHHSXFIWXOJJL-PWSUYJOCSA-N 1 3 236.363 1.953 20 0 BDADHO C[C@H](CNc1ccnc(CO)c1)C[NH+](C)C ZINC000858553686 588965117 /nfs/dbraw/zinc/96/51/17/588965117.db2.gz VNOFTMDKDLXZKS-SNVBAGLBSA-N 1 3 223.320 1.184 20 0 BDADHO CC[C@@H](N)c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899741287 584233883 /nfs/dbraw/zinc/23/38/83/584233883.db2.gz OPOSZPHTTOGMOK-WDEREUQCSA-N 1 3 237.351 1.078 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H]1C1CCCC1 ZINC000899912389 584253422 /nfs/dbraw/zinc/25/34/22/584253422.db2.gz JCFSQIGLUXDMIO-UONOGXRCSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]1C1CCCC1 ZINC000899912389 584253423 /nfs/dbraw/zinc/25/34/23/584253423.db2.gz JCFSQIGLUXDMIO-UONOGXRCSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)C[C@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902349540 584559686 /nfs/dbraw/zinc/55/96/86/584559686.db2.gz XKKRDUBCXDSGMN-STQMWFEESA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902349540 584559687 /nfs/dbraw/zinc/55/96/87/584559687.db2.gz XKKRDUBCXDSGMN-STQMWFEESA-N 1 3 242.407 1.761 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H](O)C2CCC2)C1 ZINC000902386284 584578099 /nfs/dbraw/zinc/57/80/99/584578099.db2.gz DXNSXXWNMATXEF-OLZOCXBDSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000902386284 584578100 /nfs/dbraw/zinc/57/81/00/584578100.db2.gz DXNSXXWNMATXEF-OLZOCXBDSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H](CCCO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902386403 584578293 /nfs/dbraw/zinc/57/82/93/584578293.db2.gz DESIMKAQVHOJJE-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902386401 584578516 /nfs/dbraw/zinc/57/85/16/584578516.db2.gz DESIMKAQVHOJJE-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO CC(C)(CO)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902387311 584579262 /nfs/dbraw/zinc/57/92/62/584579262.db2.gz JJGFSLGYMIWBLN-LBPRGKRZSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902388253 584579712 /nfs/dbraw/zinc/57/97/12/584579712.db2.gz NASWRSQGCQUSOS-NWDGAFQWSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H](CC(C)(C)O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388253 584579713 /nfs/dbraw/zinc/57/97/13/584579713.db2.gz NASWRSQGCQUSOS-NWDGAFQWSA-N 1 3 242.407 1.904 20 0 BDADHO CC[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902388285 584579809 /nfs/dbraw/zinc/57/98/09/584579809.db2.gz OIBUZDCMVQLUJU-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000902391459 584581837 /nfs/dbraw/zinc/58/18/37/584581837.db2.gz GEOOMLPYWBOHPH-OLZOCXBDSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H](CO)C2CCC2)C1 ZINC000902391459 584581838 /nfs/dbraw/zinc/58/18/38/584581838.db2.gz GEOOMLPYWBOHPH-OLZOCXBDSA-N 1 3 240.391 1.515 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000902434288 584595932 /nfs/dbraw/zinc/59/59/32/584595932.db2.gz NDVHIZHQHHZWNE-SPWCGHHHSA-N 1 3 245.370 1.328 20 0 BDADHO CC(C)[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902477897 584603627 /nfs/dbraw/zinc/60/36/27/584603627.db2.gz VGXSIXXNCPMDCR-XQHKEYJVSA-N 1 3 208.349 1.904 20 0 BDADHO CC[C@H]([NH2+][C@H]1CNCC1(C)C)[C@@H]1CCOC1 ZINC000902450137 584606517 /nfs/dbraw/zinc/60/65/17/584606517.db2.gz RBTWNPYTVJQKSX-WOPDTQHZSA-N 1 3 226.364 1.389 20 0 BDADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1cncs1 ZINC000902454477 584608849 /nfs/dbraw/zinc/60/88/49/584608849.db2.gz HWIOAYFIDOOZPK-VHSXEESVSA-N 1 3 243.376 1.548 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCN1CCC(C)(C)C1 ZINC000902456657 584610270 /nfs/dbraw/zinc/61/02/70/584610270.db2.gz QADQPTLNIXCPQH-STQMWFEESA-N 1 3 239.407 1.448 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000902458529 584610996 /nfs/dbraw/zinc/61/09/96/584610996.db2.gz VOKJLUOZLRFZGH-PJSNJIKXSA-N 1 3 208.349 1.892 20 0 BDADHO COC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)C1CCCC1 ZINC000902466245 584613857 /nfs/dbraw/zinc/61/38/57/584613857.db2.gz KYLLOXHYJFFDQL-XJFOESAGSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469060 584615637 /nfs/dbraw/zinc/61/56/37/584615637.db2.gz ORHZDBKDPSJOPQ-KIJLLGNVSA-N 1 3 224.348 1.427 20 0 BDADHO Cc1ncccc1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000902512725 584623091 /nfs/dbraw/zinc/62/30/91/584623091.db2.gz IZYYKKBWWRVAAP-KBPBESRZSA-N 1 3 245.370 1.792 20 0 BDADHO Cc1ncccc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000902511091 584623165 /nfs/dbraw/zinc/62/31/65/584623165.db2.gz BUTPTIXSYTWZKY-MNOVXSKESA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ncccc1CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000902511091 584623166 /nfs/dbraw/zinc/62/31/66/584623166.db2.gz BUTPTIXSYTWZKY-MNOVXSKESA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)n(C)n1 ZINC000902485205 584624629 /nfs/dbraw/zinc/62/46/29/584624629.db2.gz JAYRPGYOSKZXMB-GMTAPVOTSA-N 1 3 222.336 1.116 20 0 BDADHO CC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903056634 584722499 /nfs/dbraw/zinc/72/24/99/584722499.db2.gz WYVOEHXWNHWODE-WDFAYWTNSA-N 1 3 238.375 1.505 20 0 BDADHO CC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903056634 584722500 /nfs/dbraw/zinc/72/25/00/584722500.db2.gz WYVOEHXWNHWODE-WDFAYWTNSA-N 1 3 238.375 1.505 20 0 BDADHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)CCN1C ZINC000903300688 584744132 /nfs/dbraw/zinc/74/41/32/584744132.db2.gz LFVNRJNAQFLUTL-UPJWGTAASA-N 1 3 239.407 1.541 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCN2C)[C@@H](C)C1 ZINC000903321607 584747054 /nfs/dbraw/zinc/74/70/54/584747054.db2.gz AXOQWOHIYNEDNS-XQQFMLRXSA-N 1 3 225.380 1.010 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@H]2CCN2C)[C@@H](C)C1 ZINC000903321607 584747055 /nfs/dbraw/zinc/74/70/55/584747055.db2.gz AXOQWOHIYNEDNS-XQQFMLRXSA-N 1 3 225.380 1.010 20 0 BDADHO C[C@H]1COC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000903397330 584757262 /nfs/dbraw/zinc/75/72/62/584757262.db2.gz WSLNGAPZBBCGBH-SMDDNHRTSA-N 1 3 238.375 1.485 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000903459322 584766111 /nfs/dbraw/zinc/76/61/11/584766111.db2.gz GSLSIRDJVPEUMU-GHMZBOCLSA-N 1 3 225.361 1.545 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCCn1ccnc1 ZINC000903460616 584766498 /nfs/dbraw/zinc/76/64/98/584766498.db2.gz FRRGXHZEYWCIPX-OLZOCXBDSA-N 1 3 236.363 1.061 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000903443611 584768477 /nfs/dbraw/zinc/76/84/77/584768477.db2.gz FLPDVKOCLZXHPK-MBNYWOFBSA-N 1 3 237.391 1.010 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903447092 584770898 /nfs/dbraw/zinc/77/08/98/584770898.db2.gz DIYNWIOGCSPXKP-HGCLJGPKSA-N 1 3 244.329 1.947 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903454589 584773203 /nfs/dbraw/zinc/77/32/03/584773203.db2.gz DLXACHGKPMZAHA-MQYQWHSLSA-N 1 3 239.407 1.256 20 0 BDADHO [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H]2c2ncc[nH]2)C1 ZINC000903457043 584774012 /nfs/dbraw/zinc/77/40/12/584774012.db2.gz LEIPCGQUZDEVOI-QJPTWQEYSA-N 1 3 234.347 1.674 20 0 BDADHO OCCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903468851 584774785 /nfs/dbraw/zinc/77/47/85/584774785.db2.gz OUPXQMRXCQQJHA-LBPRGKRZSA-N 1 3 226.364 1.413 20 0 BDADHO OCC[C@@H]1CCCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903768682 584798366 /nfs/dbraw/zinc/79/83/66/584798366.db2.gz PABONHHAMZYOOX-KGLIPLIRSA-N 1 3 240.391 1.613 20 0 BDADHO C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N(C1CC1)C1CC1 ZINC000903770851 584798531 /nfs/dbraw/zinc/79/85/31/584798531.db2.gz ZLZSJFBOWTXBMB-KBPBESRZSA-N 1 3 236.359 1.382 20 0 BDADHO CC1(C)C[C@H](O)CN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903778025 584799931 /nfs/dbraw/zinc/79/99/31/584799931.db2.gz IUGZKINHEJKNOG-OLZOCXBDSA-N 1 3 240.391 1.469 20 0 BDADHO COCC1(N(C)C[C@@H]2CCCC[NH2+]C2)CCC1 ZINC000903782006 584800165 /nfs/dbraw/zinc/80/01/65/584800165.db2.gz DBPWCBPQQONSQV-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@H]2CC[C@]21CN ZINC000903804397 584802530 /nfs/dbraw/zinc/80/25/30/584802530.db2.gz FFYOQWZLZSQWQK-JSGCOSHPSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@H]2CC[C@]21CN ZINC000903804397 584802531 /nfs/dbraw/zinc/80/25/31/584802531.db2.gz FFYOQWZLZSQWQK-JSGCOSHPSA-N 1 3 248.374 1.166 20 0 BDADHO NCCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825703 584804581 /nfs/dbraw/zinc/80/45/81/584804581.db2.gz CPSLQPLZJGPEMU-LLVKDONJSA-N 1 3 214.378 1.553 20 0 BDADHO NCCC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000903825703 584804582 /nfs/dbraw/zinc/80/45/82/584804582.db2.gz CPSLQPLZJGPEMU-LLVKDONJSA-N 1 3 214.378 1.553 20 0 BDADHO [NH3+]CCCN1CCCSC[C@@H]1C1CC1 ZINC000903825703 584804584 /nfs/dbraw/zinc/80/45/84/584804584.db2.gz CPSLQPLZJGPEMU-LLVKDONJSA-N 1 3 214.378 1.553 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCCSC[C@H]1C1CC1 ZINC000903825962 584805101 /nfs/dbraw/zinc/80/51/01/584805101.db2.gz GFRCQFQMPJOGHP-YPMHNXCESA-N 1 3 240.416 1.813 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC000903838268 584806586 /nfs/dbraw/zinc/80/65/86/584806586.db2.gz AWPCUMPWGGZNDB-ZSLBOAEBSA-N 1 3 236.359 1.225 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H]1C[C@]13CCOC3)C2 ZINC000903838268 584806587 /nfs/dbraw/zinc/80/65/87/584806587.db2.gz AWPCUMPWGGZNDB-ZSLBOAEBSA-N 1 3 236.359 1.225 20 0 BDADHO CCC[C@](C)(CO)NC[C@@H]([NH3+])CC(F)F ZINC000903898365 584819569 /nfs/dbraw/zinc/81/95/69/584819569.db2.gz KHODSSBXUOZEMZ-WCBMZHEXSA-N 1 3 224.295 1.110 20 0 BDADHO C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC12CC2 ZINC000903909353 584821799 /nfs/dbraw/zinc/82/17/99/584821799.db2.gz UHSRIZQBTVGVJW-YHWZYXNKSA-N 1 3 236.359 1.382 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+]CCC(C)(C)N)CCO1 ZINC000903939180 584822899 /nfs/dbraw/zinc/82/28/99/584822899.db2.gz SXZKUJBQOHUALU-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](CNC[C@@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935510 584825920 /nfs/dbraw/zinc/82/59/20/584825920.db2.gz QVOZZYQXCNBYAX-KOLCDFICSA-N 1 3 243.301 1.757 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969774 584832104 /nfs/dbraw/zinc/83/21/04/584832104.db2.gz KXIWKLIXDQQDNW-JHJVBQTASA-N 1 3 238.375 1.391 20 0 BDADHO Cc1c[nH]nc1CNCC[C@@H]1C[NH2+]C[C@H]1C ZINC000903978466 584833031 /nfs/dbraw/zinc/83/30/31/584833031.db2.gz GIVVSOWUONDYPW-MWLCHTKSSA-N 1 3 222.336 1.053 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CNC[C@H]1C ZINC000903963731 584833339 /nfs/dbraw/zinc/83/33/39/584833339.db2.gz HISTVSJMJYLUJW-NQBHXWOUSA-N 1 3 226.364 1.389 20 0 BDADHO COC[C@H](CC(C)C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967712 584834982 /nfs/dbraw/zinc/83/49/82/584834982.db2.gz LNVCPLAQAVEYSE-AGIUHOORSA-N 1 3 228.380 1.493 20 0 BDADHO C1CC1[C@@H]1OCC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000903987195 584835986 /nfs/dbraw/zinc/83/59/86/584835986.db2.gz YFZVWULYZVYASS-XQQFMLRXSA-N 1 3 224.348 1.286 20 0 BDADHO CCC[N@H+](CCO)C[C@@H](N)CCC(C)(C)C ZINC000904303877 584861693 /nfs/dbraw/zinc/86/16/93/584861693.db2.gz KLPPBLKYZJTUDM-LBPRGKRZSA-N 1 3 230.396 1.844 20 0 BDADHO CCC[N@@H+](CCO)C[C@@H](N)CCC(C)(C)C ZINC000904303877 584861694 /nfs/dbraw/zinc/86/16/94/584861694.db2.gz KLPPBLKYZJTUDM-LBPRGKRZSA-N 1 3 230.396 1.844 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCCC[C@@H]2c2ncc[nH]2)C1 ZINC000904315986 584862663 /nfs/dbraw/zinc/86/26/63/584862663.db2.gz HVKVHQMBFPLALB-GRYCIOLGSA-N 1 3 234.347 1.674 20 0 BDADHO COC(=O)[C@@H](C)CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904311816 584862722 /nfs/dbraw/zinc/86/27/22/584862722.db2.gz HTQVNNHHQXBCQO-AAEUAGOBSA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@@H](C)C[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000904311816 584862723 /nfs/dbraw/zinc/86/27/23/584862723.db2.gz HTQVNNHHQXBCQO-AAEUAGOBSA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000904311816 584862725 /nfs/dbraw/zinc/86/27/25/584862725.db2.gz HTQVNNHHQXBCQO-AAEUAGOBSA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@H](C)CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904311817 584862767 /nfs/dbraw/zinc/86/27/67/584862767.db2.gz HTQVNNHHQXBCQO-DGCLKSJQSA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@H](C)C[N@H+](C)C[C@]1(C)CCCNC1 ZINC000904311817 584862769 /nfs/dbraw/zinc/86/27/69/584862769.db2.gz HTQVNNHHQXBCQO-DGCLKSJQSA-N 1 3 242.363 1.117 20 0 BDADHO COC(=O)[C@H](C)C[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000904311817 584862771 /nfs/dbraw/zinc/86/27/71/584862771.db2.gz HTQVNNHHQXBCQO-DGCLKSJQSA-N 1 3 242.363 1.117 20 0 BDADHO C[C@H](O)[C@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904332575 584865916 /nfs/dbraw/zinc/86/59/16/584865916.db2.gz RXDDVOLJUBRIDT-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904332575 584865917 /nfs/dbraw/zinc/86/59/17/584865917.db2.gz RXDDVOLJUBRIDT-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904332575 584865918 /nfs/dbraw/zinc/86/59/18/584865918.db2.gz RXDDVOLJUBRIDT-AVGNSLFASA-N 1 3 226.364 1.079 20 0 BDADHO C[N@H+](CCCCO)C[C@@H](N)CCC(C)(C)C ZINC000904341288 584867228 /nfs/dbraw/zinc/86/72/28/584867228.db2.gz MOKNLTNBWOFCML-LBPRGKRZSA-N 1 3 230.396 1.844 20 0 BDADHO C[N@@H+](CCCCO)C[C@@H](N)CCC(C)(C)C ZINC000904341288 584867229 /nfs/dbraw/zinc/86/72/29/584867229.db2.gz MOKNLTNBWOFCML-LBPRGKRZSA-N 1 3 230.396 1.844 20 0 BDADHO CC1(C)C[N@@H+](C[C@]2(C)CCCNC2)C[C@H]1O ZINC000904346511 584868484 /nfs/dbraw/zinc/86/84/84/584868484.db2.gz SHPQFLCEELKBDV-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)CN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346511 584868480 /nfs/dbraw/zinc/86/84/80/584868480.db2.gz SHPQFLCEELKBDV-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@]2(C)CCCNC2)C[C@H]1O ZINC000904346511 584868482 /nfs/dbraw/zinc/86/84/82/584868482.db2.gz SHPQFLCEELKBDV-DGCLKSJQSA-N 1 3 226.364 1.079 20 0 BDADHO CN(C)C(=O)CC[NH2+]C[C@H](N)CCC(C)(C)C ZINC000904360164 584871670 /nfs/dbraw/zinc/87/16/70/584871670.db2.gz IRNJXDKRDUAUBS-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2CN1 ZINC000904358727 584872365 /nfs/dbraw/zinc/87/23/65/584872365.db2.gz RTDGROVWNAXWRQ-BZPMIXESSA-N 1 3 245.370 1.722 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CCC[C@H]1CCO ZINC000904372234 584873505 /nfs/dbraw/zinc/87/35/05/584873505.db2.gz ZTOUIACKHWFLQX-OLZOCXBDSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CCC[C@H]1CCO ZINC000904372234 584873506 /nfs/dbraw/zinc/87/35/06/584873506.db2.gz ZTOUIACKHWFLQX-OLZOCXBDSA-N 1 3 242.407 1.987 20 0 BDADHO [NH3+]CCCCCCNCc1nccn1C1CC1 ZINC000904374959 584874520 /nfs/dbraw/zinc/87/45/20/584874520.db2.gz ZCKFTQYYKQCTHA-UHFFFAOYSA-N 1 3 236.363 1.827 20 0 BDADHO C[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C2(CCC2)CO1 ZINC000904375678 584875544 /nfs/dbraw/zinc/87/55/44/584875544.db2.gz FENNSHORGMWHIL-SDDRHHMPSA-N 1 3 224.348 1.367 20 0 BDADHO C[C@@H](O)C[N@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000904377061 584875992 /nfs/dbraw/zinc/87/59/92/584875992.db2.gz IRLUNJCKGGVWOV-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](O)C[N@@H+](C[C@@]1(C)CCCNC1)C1CC1 ZINC000904377061 584875994 /nfs/dbraw/zinc/87/59/94/584875994.db2.gz IRLUNJCKGGVWOV-YPMHNXCESA-N 1 3 226.364 1.221 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCc3c(O)cccc3C2)C1 ZINC000904381787 584877215 /nfs/dbraw/zinc/87/72/15/584877215.db2.gz UTAWTLGEDCEWFL-KLPPZKSPSA-N 1 3 232.327 1.488 20 0 BDADHO [NH3+]CC1CC(Nc2ccc3c(c2)OCCNC3)C1 ZINC000904381818 584877411 /nfs/dbraw/zinc/87/74/11/584877411.db2.gz VHQQUMHEASXHKZ-UHFFFAOYSA-N 1 3 247.342 1.318 20 0 BDADHO C[C@H]1CN(Cc2cnc(N)s2)CC[C@@H]1C[NH3+] ZINC000904410286 584878829 /nfs/dbraw/zinc/87/88/29/584878829.db2.gz OACHMORCFNDFGG-DTWKUNHWSA-N 1 3 240.376 1.142 20 0 BDADHO C[C@@H]1CN(Cc2ccc(N)nc2)CC[C@@H]1C[NH3+] ZINC000904410553 584878943 /nfs/dbraw/zinc/87/89/43/584878943.db2.gz HJZBBNQLASQRGS-ZYHUDNBSSA-N 1 3 234.347 1.081 20 0 BDADHO C[C@H](C[NH3+])N[C@H](C)CSC(C)(C)C ZINC000817966091 584992627 /nfs/dbraw/zinc/99/26/27/584992627.db2.gz GFMHMOWJVUCQCX-RKDXNWHRSA-N 1 3 204.383 1.843 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838864223 585076130 /nfs/dbraw/zinc/07/61/30/585076130.db2.gz GXFOKTDAYLNRTP-OCCSQVGLSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838864223 585076131 /nfs/dbraw/zinc/07/61/31/585076131.db2.gz GXFOKTDAYLNRTP-OCCSQVGLSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838864223 585076132 /nfs/dbraw/zinc/07/61/32/585076132.db2.gz GXFOKTDAYLNRTP-OCCSQVGLSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838864223 585076133 /nfs/dbraw/zinc/07/61/33/585076133.db2.gz GXFOKTDAYLNRTP-OCCSQVGLSA-N 1 3 240.391 1.421 20 0 BDADHO CN1CCN(CC[NH+]2CCCC2)C(C)(C)C1 ZINC000767002800 585512397 /nfs/dbraw/zinc/51/23/97/585512397.db2.gz LTQUZXOYWCDNSR-UHFFFAOYSA-N 1 3 225.380 1.108 20 0 BDADHO C[C@@H](CCO)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000779383238 585752740 /nfs/dbraw/zinc/75/27/40/585752740.db2.gz MGPNBYVMOHRRCA-LBPRGKRZSA-N 1 3 236.359 1.609 20 0 BDADHO CC[C@@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000788474876 585925233 /nfs/dbraw/zinc/92/52/33/585925233.db2.gz LCCLGPHFQYEJQX-CYBMUJFWSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCSC(F)(F)F ZINC000817888111 586831769 /nfs/dbraw/zinc/83/17/69/586831769.db2.gz ASGFXAGAGKLSME-RNFRBKRXSA-N 1 3 230.299 1.955 20 0 BDADHO C[C@@H](NC[C@@H]1COc2ccccc2C1)C1C[NH2+]C1 ZINC000817891664 586832700 /nfs/dbraw/zinc/83/27/00/586832700.db2.gz NATXNODSAKICPJ-VXGBXAGGSA-N 1 3 246.354 1.435 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)C1CNC1 ZINC000817891664 586832703 /nfs/dbraw/zinc/83/27/03/586832703.db2.gz NATXNODSAKICPJ-VXGBXAGGSA-N 1 3 246.354 1.435 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)c1ccccc1 ZINC000817892688 586832814 /nfs/dbraw/zinc/83/28/14/586832814.db2.gz BPLFKBFIJJHZJR-BPLDGKMQSA-N 1 3 248.370 1.698 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCNc1ccccc1 ZINC000817901754 586835868 /nfs/dbraw/zinc/83/58/68/586835868.db2.gz YEKUEJXOKBVWAC-NEPJUHHUSA-N 1 3 221.348 1.814 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000817901464 586836167 /nfs/dbraw/zinc/83/61/67/586836167.db2.gz VUVOMOJGESVGBB-GMTAPVOTSA-N 1 3 246.420 1.470 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1N)c1cccs1 ZINC000817913295 586839062 /nfs/dbraw/zinc/83/90/62/586839062.db2.gz NHBALKMMAQCTAH-UMNHJUIQSA-N 1 3 240.372 1.425 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@](C)(O)c1ccccc1 ZINC000817913613 586839327 /nfs/dbraw/zinc/83/93/27/586839327.db2.gz OLFJMAUAROLMBA-SCRDCRAPSA-N 1 3 236.359 1.610 20 0 BDADHO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN)c(C)n1 ZINC000817970543 586857540 /nfs/dbraw/zinc/85/75/40/586857540.db2.gz ZNSQQIUMCWEKDI-ONGXEEELSA-N 1 3 207.321 1.696 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818981219 586919899 /nfs/dbraw/zinc/91/98/99/586919899.db2.gz STIIILNIMOIQIB-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)C2CC2)C1 ZINC000818981219 586919900 /nfs/dbraw/zinc/91/99/00/586919900.db2.gz STIIILNIMOIQIB-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)C2CC2)C1 ZINC000818981219 586919902 /nfs/dbraw/zinc/91/99/02/586919902.db2.gz STIIILNIMOIQIB-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]([NH2+]CCO)c1cccc(CN(C)C)c1 ZINC000820805896 587073529 /nfs/dbraw/zinc/07/35/29/587073529.db2.gz URVGREFEWJNEKS-NSHDSACASA-N 1 3 222.332 1.391 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NCCN1CCC[C@H]1C ZINC000831971251 587640322 /nfs/dbraw/zinc/64/03/22/587640322.db2.gz UHTVMTQBSFPQAG-YPMHNXCESA-N 1 3 241.379 1.104 20 0 BDADHO Cc1ccc(N2CCCN(CCC[NH3+])CC2)cc1 ZINC000841003490 587934571 /nfs/dbraw/zinc/93/45/71/587934571.db2.gz VCLVTYJLMLXVJM-UHFFFAOYSA-N 1 3 247.386 1.856 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)c1cccc(CN)c1 ZINC000841849066 587977693 /nfs/dbraw/zinc/97/76/93/587977693.db2.gz OQSVPRVKOGFNIA-UHFFFAOYSA-N 1 3 249.358 1.393 20 0 BDADHO CCN(CCCCCCC[NH3+])CC(=O)N(C)C ZINC000842471522 588029310 /nfs/dbraw/zinc/02/93/10/588029310.db2.gz GZGNLPCLRBQAQQ-UHFFFAOYSA-N 1 3 243.395 1.306 20 0 BDADHO C[C@@H]1CCN[C@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512342 588117532 /nfs/dbraw/zinc/11/75/32/588117532.db2.gz ZFSYNXIZHRMKGS-NEPJUHHUSA-N 1 3 241.379 1.010 20 0 BDADHO [NH3+]CC1(CCNCc2cccnc2Cl)CC1 ZINC000844901669 588218830 /nfs/dbraw/zinc/21/88/30/588218830.db2.gz KBWUMGWRCQAZEG-UHFFFAOYSA-N 1 3 239.750 1.954 20 0 BDADHO CNC[C@](C)(O)C[NH+]1CCC(CC(C)C)CC1 ZINC000846219059 588260677 /nfs/dbraw/zinc/26/06/77/588260677.db2.gz DZUSGLCBRLLQKK-AWEZNQCLSA-N 1 3 242.407 1.715 20 0 BDADHO CCN1CCCN(CCCCCC[NH3+])CC1=O ZINC000846220095 588260764 /nfs/dbraw/zinc/26/07/64/588260764.db2.gz BKOFNHUQPSHHCB-UHFFFAOYSA-N 1 3 241.379 1.060 20 0 BDADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCF)C1 ZINC000846227760 588261993 /nfs/dbraw/zinc/26/19/93/588261993.db2.gz HDUNOFSXQZXOKI-IJLUTSLNSA-N 1 3 230.327 1.317 20 0 BDADHO CN1CCN(CC[NH+]2CCCC2)CC1(C)C ZINC000846890487 588295427 /nfs/dbraw/zinc/29/54/27/588295427.db2.gz IRFFBIILWBDBRW-UHFFFAOYSA-N 1 3 225.380 1.108 20 0 BDADHO Cc1cccc([C@H](O)CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000848720556 588408568 /nfs/dbraw/zinc/40/85/68/588408568.db2.gz YRDHRYNJFLANJB-SOUVJXGZSA-N 1 3 248.370 1.888 20 0 BDADHO CCN(CC)C(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030264 588442388 /nfs/dbraw/zinc/44/23/88/588442388.db2.gz HCJUSXIECNWQKQ-SNVBAGLBSA-N 1 3 214.357 1.050 20 0 BDADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)F ZINC000849033601 588443967 /nfs/dbraw/zinc/44/39/67/588443967.db2.gz RHCFKFGDTJMLKO-QWRGUYRKSA-N 1 3 244.358 1.333 20 0 BDADHO CC[NH2+]CC1CCN(CCOC(F)F)CC1 ZINC000852740614 588698303 /nfs/dbraw/zinc/69/83/03/588698303.db2.gz GCMXZOZQJGOKHG-UHFFFAOYSA-N 1 3 236.306 1.547 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOC(F)F)C[C@@H]21 ZINC000852746631 588698941 /nfs/dbraw/zinc/69/89/41/588698941.db2.gz MUWRXALALMMDTH-LPEHRKFASA-N 1 3 234.290 1.285 20 0 BDADHO N[C@@H]1CN(CCCCCCC[NH3+])CC[C@H]1F ZINC000852760728 588700975 /nfs/dbraw/zinc/70/09/75/588700975.db2.gz MQWFEUDDMULEMM-VXGBXAGGSA-N 1 3 231.359 1.267 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCN[C@H]2C)CCO1 ZINC000863486627 589293043 /nfs/dbraw/zinc/29/30/43/589293043.db2.gz BISCXHXFCKUFSF-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)N(CCNC(=[NH2+])N[C@@H]1C[C@@H]1C)C(C)C ZINC000864453095 589365704 /nfs/dbraw/zinc/36/57/04/589365704.db2.gz XBVLJCKPXHBTPB-NWDGAFQWSA-N 1 3 240.395 1.628 20 0 BDADHO Cc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)ccn1 ZINC000866206666 589480248 /nfs/dbraw/zinc/48/02/48/589480248.db2.gz FHIMKCTUQNIHBA-OCCSQVGLSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206666 589480249 /nfs/dbraw/zinc/48/02/49/589480249.db2.gz FHIMKCTUQNIHBA-OCCSQVGLSA-N 1 3 231.343 1.920 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000866585428 589501948 /nfs/dbraw/zinc/50/19/48/589501948.db2.gz XYWIALXVWAQLIS-DGCLKSJQSA-N 1 3 208.349 1.955 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000866585428 589501949 /nfs/dbraw/zinc/50/19/49/589501949.db2.gz XYWIALXVWAQLIS-DGCLKSJQSA-N 1 3 208.349 1.955 20 0 BDADHO CCOCC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866703627 589513681 /nfs/dbraw/zinc/51/36/81/589513681.db2.gz MWWAEGUNYCVKCP-CYBMUJFWSA-N 1 3 228.380 1.720 20 0 BDADHO CCOCC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866703627 589513683 /nfs/dbraw/zinc/51/36/83/589513683.db2.gz MWWAEGUNYCVKCP-CYBMUJFWSA-N 1 3 228.380 1.720 20 0 BDADHO C1=CC[C@@H]2C[N@@H+](C[C@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000866701911 589513979 /nfs/dbraw/zinc/51/39/79/589513979.db2.gz RGVLHKWWNNIOOJ-HZSPNIEDSA-N 1 3 248.370 1.405 20 0 BDADHO C1=CC[C@@H]2C[N@H+](C[C@H]3CCC4(CNC4)O3)C[C@@H]2C1 ZINC000866701911 589513980 /nfs/dbraw/zinc/51/39/80/589513980.db2.gz RGVLHKWWNNIOOJ-HZSPNIEDSA-N 1 3 248.370 1.405 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141872 589882203 /nfs/dbraw/zinc/88/22/03/589882203.db2.gz XJHWUSKGPVEATO-STQMWFEESA-N 1 3 238.375 1.616 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872145060 589884136 /nfs/dbraw/zinc/88/41/36/589884136.db2.gz NQOZBXAAHJPZHH-CYDGBPFRSA-N 1 3 240.391 1.907 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000872251227 589900570 /nfs/dbraw/zinc/90/05/70/589900570.db2.gz IDZJLMAEDMOHNN-ZDUSSCGKSA-N 1 3 240.391 1.781 20 0 BDADHO C[NH2+]CCN(C)Cc1cc2c(s1)CCNC2 ZINC000873202101 589993175 /nfs/dbraw/zinc/99/31/75/589993175.db2.gz SQDYAIHVZFLJOA-UHFFFAOYSA-N 1 3 239.388 1.045 20 0 BDADHO C[C@H](C[NH3+])N(C)Cc1cc2c(s1)CCNC2 ZINC000873200474 589993316 /nfs/dbraw/zinc/99/33/16/589993316.db2.gz BBXNGWWHJQLDCH-SECBINFHSA-N 1 3 239.388 1.173 20 0 BDADHO C[NH2+]C[C@H](C)NCc1cc2c(s1)CCNC2 ZINC000873211783 589996538 /nfs/dbraw/zinc/99/65/38/589996538.db2.gz BBBCCTPVDQDSNX-VIFPVBQESA-N 1 3 239.388 1.091 20 0 BDADHO Cc1cc(CN[C@@H](C)C2CC[NH2+]CC2)nn1C ZINC000873219817 589998683 /nfs/dbraw/zinc/99/86/83/589998683.db2.gz GHACCAYVXJQHEC-NSHDSACASA-N 1 3 236.363 1.206 20 0 BDADHO COCCC1([NH2+]C[C@@H](C)COC)CCNCC1 ZINC000873225726 590001291 /nfs/dbraw/zinc/00/12/91/590001291.db2.gz YNJIDZMARWQSKE-GFCCVEGCSA-N 1 3 244.379 1.017 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000873237565 590003876 /nfs/dbraw/zinc/00/38/76/590003876.db2.gz QYXAOSVTMRVCDE-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H]1CCSC1 ZINC000873234679 590004384 /nfs/dbraw/zinc/00/43/84/590004384.db2.gz FNERCZYRHPOVMO-HBNTYKKESA-N 1 3 216.394 1.845 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239619 590005870 /nfs/dbraw/zinc/00/58/70/590005870.db2.gz ZEQKNGMYUISLOH-NOOOWODRSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC[C@@H]1CCCS1 ZINC000873243463 590006950 /nfs/dbraw/zinc/00/69/50/590006950.db2.gz LLKNSWRKZQYJNR-GRYCIOLGSA-N 1 3 228.405 1.860 20 0 BDADHO Cc1cc([C@@H](C)NC[C@H]2C[C@@H]([NH3+])C2)nn1C ZINC000873248898 590007370 /nfs/dbraw/zinc/00/73/70/590007370.db2.gz GOXRVEAKIPZJNC-MXWKQRLJSA-N 1 3 222.336 1.116 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2C[C@@H]([NH3+])C2)c2nccn21 ZINC000873249284 590007481 /nfs/dbraw/zinc/00/74/81/590007481.db2.gz KDZFXTJOGXDJIV-ZNSHCXBVSA-N 1 3 220.320 1.216 20 0 BDADHO Cc1nccnc1[C@H](C)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000873251181 590008355 /nfs/dbraw/zinc/00/83/55/590008355.db2.gz UTVQYQASFSVLTF-GARJFASQSA-N 1 3 220.320 1.173 20 0 BDADHO C[C@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccn(C)n1 ZINC000873260547 590013469 /nfs/dbraw/zinc/01/34/69/590013469.db2.gz CPZVKNXNISGNJE-RVMXOQNASA-N 1 3 248.374 1.601 20 0 BDADHO c1cn2c(n1)[C@H](NC[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000873262257 590014379 /nfs/dbraw/zinc/01/43/79/590014379.db2.gz WOEWXRWYPGLNQS-YVECIDJPSA-N 1 3 246.358 1.448 20 0 BDADHO C[C@@H](N[C@H](C)C1CC[NH2+]CC1)c1nccn1C ZINC000873267596 590015265 /nfs/dbraw/zinc/01/52/65/590015265.db2.gz HCCJTLASTHQANU-GHMZBOCLSA-N 1 3 236.363 1.459 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1Cc2ccccc2CN1 ZINC000873297092 590025275 /nfs/dbraw/zinc/02/52/75/590025275.db2.gz RBZYTERIFSPTSB-HUBLWGQQSA-N 1 3 247.386 1.416 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000124562683 590057827 /nfs/dbraw/zinc/05/78/27/590057827.db2.gz UJOLPGIESJWRFN-LBPRGKRZSA-N 1 3 242.363 1.023 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000124562683 590057828 /nfs/dbraw/zinc/05/78/28/590057828.db2.gz UJOLPGIESJWRFN-LBPRGKRZSA-N 1 3 242.363 1.023 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC000877104032 590284352 /nfs/dbraw/zinc/28/43/52/590284352.db2.gz ZYXJBMLHHZASJH-LLVKDONJSA-N 1 3 249.358 1.167 20 0 BDADHO CCNCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000877427913 590325590 /nfs/dbraw/zinc/32/55/90/590325590.db2.gz CQIUFXTYCQIVGY-LLVKDONJSA-N 1 3 247.342 1.075 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cc[nH]n3)CC2)CC1 ZINC000877684681 590392108 /nfs/dbraw/zinc/39/21/08/590392108.db2.gz SWCNDMXXBQYHTO-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO CCC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1)OC ZINC000877742892 590408205 /nfs/dbraw/zinc/40/82/05/590408205.db2.gz SCKPSIMGAVWZIX-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CCC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1)OC ZINC000877742892 590408206 /nfs/dbraw/zinc/40/82/06/590408206.db2.gz SCKPSIMGAVWZIX-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877741278 590408970 /nfs/dbraw/zinc/40/89/70/590408970.db2.gz MKAOZVTZYPZFLU-GRYCIOLGSA-N 1 3 212.337 1.047 20 0 BDADHO CO[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000877741278 590408972 /nfs/dbraw/zinc/40/89/72/590408972.db2.gz MKAOZVTZYPZFLU-GRYCIOLGSA-N 1 3 212.337 1.047 20 0 BDADHO CSC[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000127341174 590624152 /nfs/dbraw/zinc/62/41/52/590624152.db2.gz WTCCKLXRAJHOCC-NXEZZACHSA-N 1 3 202.367 1.470 20 0 BDADHO CSC[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000127341174 590624154 /nfs/dbraw/zinc/62/41/54/590624154.db2.gz WTCCKLXRAJHOCC-NXEZZACHSA-N 1 3 202.367 1.470 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569962 590805764 /nfs/dbraw/zinc/80/57/64/590805764.db2.gz CSCNMJDTYIBYTB-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCOC(C)(C)C)CC[C@@H]21 ZINC000879569962 590805766 /nfs/dbraw/zinc/80/57/66/590805766.db2.gz CSCNMJDTYIBYTB-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000879569164 590806263 /nfs/dbraw/zinc/80/62/63/590806263.db2.gz KQUZEJCLLXDANN-UPJWGTAASA-N 1 3 224.348 1.191 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@@H]21 ZINC000879569164 590806264 /nfs/dbraw/zinc/80/62/64/590806264.db2.gz KQUZEJCLLXDANN-UPJWGTAASA-N 1 3 224.348 1.191 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000879569163 590807337 /nfs/dbraw/zinc/80/73/37/590807337.db2.gz KQUZEJCLLXDANN-JHJVBQTASA-N 1 3 224.348 1.191 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCCO3)CC[C@H]21 ZINC000879569163 590807340 /nfs/dbraw/zinc/80/73/40/590807340.db2.gz KQUZEJCLLXDANN-JHJVBQTASA-N 1 3 224.348 1.191 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000879573796 590814341 /nfs/dbraw/zinc/81/43/41/590814341.db2.gz RQVHPTOFXJPRHP-RYUDHWBXSA-N 1 3 226.440 1.890 20 0 BDADHO C[N@H+]1CC[C@H]2CN(C[Si](C)(C)C)CC[C@@H]21 ZINC000879573796 590814345 /nfs/dbraw/zinc/81/43/45/590814345.db2.gz RQVHPTOFXJPRHP-RYUDHWBXSA-N 1 3 226.440 1.890 20 0 BDADHO CC(C)OCCCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880129838 590931761 /nfs/dbraw/zinc/93/17/61/590931761.db2.gz BGDBXKBUETWIRD-KGLIPLIRSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)OCCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880129838 590931764 /nfs/dbraw/zinc/93/17/64/590931764.db2.gz BGDBXKBUETWIRD-KGLIPLIRSA-N 1 3 240.391 1.970 20 0 BDADHO c1ccc2c(c1)C[C@H](CN[C@@H]1CCC[NH2+]CC1)O2 ZINC000129157379 591260363 /nfs/dbraw/zinc/26/03/63/591260363.db2.gz QJCTYBRECIJYAD-ZIAGYGMSSA-N 1 3 246.354 1.722 20 0 BDADHO Cc1cc(NCCC[NH+]2CCCCC2)nc(N)n1 ZINC000883998429 591790433 /nfs/dbraw/zinc/79/04/33/591790433.db2.gz QKWFQYKPPIFIOS-UHFFFAOYSA-N 1 3 249.362 1.655 20 0 BDADHO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000884006869 591793882 /nfs/dbraw/zinc/79/38/82/591793882.db2.gz GRAJEKJVFVIOGN-GFCCVEGCSA-N 1 3 247.342 1.329 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062025 591980235 /nfs/dbraw/zinc/98/02/35/591980235.db2.gz WGOVSMHKIMPKID-QWHCGFSZSA-N 1 3 240.391 1.646 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215881 592178138 /nfs/dbraw/zinc/17/81/38/592178138.db2.gz SLNMWNNUTQRBOH-NWDGAFQWSA-N 1 3 248.317 1.030 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215881 592178139 /nfs/dbraw/zinc/17/81/39/592178139.db2.gz SLNMWNNUTQRBOH-NWDGAFQWSA-N 1 3 248.317 1.030 20 0 BDADHO COC(=O)CCN(C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000220373999 592307957 /nfs/dbraw/zinc/30/79/57/592307957.db2.gz AUGNRNKPIVKBJK-GFCCVEGCSA-N 1 3 242.363 1.260 20 0 BDADHO COC(=O)CC[N@H+](C[C@@H]1CCCNC1)C(C)C ZINC000220373999 592307960 /nfs/dbraw/zinc/30/79/60/592307960.db2.gz AUGNRNKPIVKBJK-GFCCVEGCSA-N 1 3 242.363 1.260 20 0 BDADHO COC(=O)CC[N@@H+](C[C@@H]1CCCNC1)C(C)C ZINC000220373999 592307967 /nfs/dbraw/zinc/30/79/67/592307967.db2.gz AUGNRNKPIVKBJK-GFCCVEGCSA-N 1 3 242.363 1.260 20 0 BDADHO CCC1(N2CCC2)CC[NH+](C[C@@H](C)CO)CC1 ZINC000886715905 592310363 /nfs/dbraw/zinc/31/03/63/592310363.db2.gz IMFVWSZANQBRLB-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)OCCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886868081 592375259 /nfs/dbraw/zinc/37/52/59/592375259.db2.gz VHWQPADKYPMKOA-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO CCOCCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872007 592376861 /nfs/dbraw/zinc/37/68/61/592376861.db2.gz HCZVLEPOAGTLDZ-AWEZNQCLSA-N 1 3 240.391 1.879 20 0 BDADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCF ZINC000887132557 592449838 /nfs/dbraw/zinc/44/98/38/592449838.db2.gz IHQKSCWXPHBJCB-LBPRGKRZSA-N 1 3 237.322 1.952 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000300231411 592505329 /nfs/dbraw/zinc/50/53/29/592505329.db2.gz HEOKLUSAHMNYPZ-AVGNSLFASA-N 1 3 228.380 1.501 20 0 BDADHO C(C[C@@H]1CCCCO1)[NH2+][C@H]1CCCNCC1 ZINC000223719528 592539328 /nfs/dbraw/zinc/53/93/28/592539328.db2.gz OSJCQVVNPUECAK-STQMWFEESA-N 1 3 226.364 1.677 20 0 BDADHO C(C[C@@H]1CCCCO1)[NH2+][C@@H]1CCCNCC1 ZINC000223719443 592539283 /nfs/dbraw/zinc/53/92/83/592539283.db2.gz OSJCQVVNPUECAK-OLZOCXBDSA-N 1 3 226.364 1.677 20 0 BDADHO C1CC1[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925705535 634385666 /nfs/dbraw/zinc/38/56/66/634385666.db2.gz JWILOOIMEXQWRC-RDBSUJKOSA-N 1 3 238.375 1.533 20 0 BDADHO C[NH+](C)CC(C)(C)CN[C@H]1COCC1(C)C ZINC000313077046 634447919 /nfs/dbraw/zinc/44/79/19/634447919.db2.gz KNWRQJLUOAXMJL-NSHDSACASA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccns1 ZINC000925731427 634563799 /nfs/dbraw/zinc/56/37/99/634563799.db2.gz KKTMGNNETYFEEM-PWSUYJOCSA-N 1 3 239.388 1.663 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@]12CCC[C@H]1OCC2 ZINC000925834634 635483213 /nfs/dbraw/zinc/48/32/13/635483213.db2.gz XTMDGDGITLPDPC-REWJHTLYSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CC[N@H+](CCCCCCO)C[C@@H]1CN ZINC000235281173 635572720 /nfs/dbraw/zinc/57/27/20/635572720.db2.gz HZCTXNOLPAMVSO-OLZOCXBDSA-N 1 3 228.380 1.456 20 0 BDADHO C[C@@H]1CC[N@@H+](CCCCCCO)C[C@@H]1CN ZINC000235281173 635572726 /nfs/dbraw/zinc/57/27/26/635572726.db2.gz HZCTXNOLPAMVSO-OLZOCXBDSA-N 1 3 228.380 1.456 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCCSC[C@@H]1C ZINC000934297553 631763576 /nfs/dbraw/zinc/76/35/76/631763576.db2.gz HRJWCXBBSVNOKE-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCCSC[C@@H]1C ZINC000934297553 631763580 /nfs/dbraw/zinc/76/35/80/631763580.db2.gz HRJWCXBBSVNOKE-RYUDHWBXSA-N 1 3 246.420 1.126 20 0 BDADHO CN(CCC1CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000309056140 631832283 /nfs/dbraw/zinc/83/22/83/631832283.db2.gz JZPAZMJOTGREQG-ZDUSSCGKSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309060177 631835862 /nfs/dbraw/zinc/83/58/62/631835862.db2.gz XIZFDLMKCJJTLR-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000235092799 631978263 /nfs/dbraw/zinc/97/82/63/631978263.db2.gz UINDATKQXOYQQP-NXEZZACHSA-N 1 3 214.378 1.599 20 0 BDADHO C[NH+](C)CC1CCN(c2ccncc2CO)CC1 ZINC000126453535 632122048 /nfs/dbraw/zinc/12/20/48/632122048.db2.gz BHVHVCOPGFJEQN-UHFFFAOYSA-N 1 3 249.358 1.352 20 0 BDADHO C[C@@H](C[NH3+])NC[C@@H]1CCOc2ccccc21 ZINC000161986228 632478469 /nfs/dbraw/zinc/47/84/69/632478469.db2.gz WAMCJGGJYMBILW-QWRGUYRKSA-N 1 3 220.316 1.490 20 0 BDADHO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000310310795 632718078 /nfs/dbraw/zinc/71/80/78/632718078.db2.gz WMEOQIKXHRHKPD-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)C1CCOCC1 ZINC000235528064 632777511 /nfs/dbraw/zinc/77/75/11/632777511.db2.gz RZDRSMSCOIAQDU-IACUBPJLSA-N 1 3 240.391 1.909 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCCCO ZINC000236238450 632905025 /nfs/dbraw/zinc/90/50/25/632905025.db2.gz HJZAQTYHJLTYEH-CHWSQXEVSA-N 1 3 228.380 1.646 20 0 BDADHO CCCC[NH2+]CCCN1CCN(CC)CC1 ZINC000309417458 633041169 /nfs/dbraw/zinc/04/11/69/633041169.db2.gz CYDOVXJUUCNIHK-UHFFFAOYSA-N 1 3 227.396 1.404 20 0 BDADHO NCC(C[NH3+])NCc1c(Cl)cccc1Cl ZINC000309362752 633901228 /nfs/dbraw/zinc/90/12/28/633901228.db2.gz OZASNBHHAJJRNF-UHFFFAOYSA-N 1 3 248.157 1.369 20 0 BDADHO C[C@H](NC(CN)C[NH3+])c1ccccc1Cl ZINC000309414141 633915346 /nfs/dbraw/zinc/91/53/46/633915346.db2.gz IZBFZADZALNRAW-QMMMGPOBSA-N 1 3 227.739 1.277 20 0 BDADHO O[C@H](CN1CCC2(CCC2)C1)C[NH+]1CCCC1 ZINC000309983542 634025696 /nfs/dbraw/zinc/02/56/96/634025696.db2.gz PSJMEIGXRYHQFJ-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925647525 634203709 /nfs/dbraw/zinc/20/37/09/634203709.db2.gz ZMPBHEYYNVTNIR-NOOOWODRSA-N 1 3 240.391 1.641 20 0 BDADHO CC[C@@H](CO)N[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925646247 634204009 /nfs/dbraw/zinc/20/40/09/634204009.db2.gz XAZAVIQCNGRUBV-USZNOCQGSA-N 1 3 226.364 1.124 20 0 BDADHO CC[C@@H](CO)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925646247 634204016 /nfs/dbraw/zinc/20/40/16/634204016.db2.gz XAZAVIQCNGRUBV-USZNOCQGSA-N 1 3 226.364 1.124 20 0 BDADHO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925686469 634300523 /nfs/dbraw/zinc/30/05/23/634300523.db2.gz UVYZJFLMLCSZRH-FVCCEPFGSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925687561 634304122 /nfs/dbraw/zinc/30/41/22/634304122.db2.gz CUPWYYZDVVGERO-KGYLQXTDSA-N 1 3 248.374 1.211 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925699633 634368412 /nfs/dbraw/zinc/36/84/12/634368412.db2.gz LJTZWHLLBDHZKI-YIYPIFLZSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000925782757 635280324 /nfs/dbraw/zinc/28/03/24/635280324.db2.gz HQDNSRHTUNVIIM-NOOOWODRSA-N 1 3 214.328 1.712 20 0 BDADHO C[N@H+](C[C@H]1CCCOC1)C[C@]1(C)CCCNC1 ZINC000250782193 636754335 /nfs/dbraw/zinc/75/43/35/636754335.db2.gz DHRCZJPBOFCAJA-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](C[C@H]1CCCOC1)C[C@]1(C)CCCNC1 ZINC000250782193 636754343 /nfs/dbraw/zinc/75/43/43/636754343.db2.gz DHRCZJPBOFCAJA-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CN(C[C@H]1CCCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000250782193 636754348 /nfs/dbraw/zinc/75/43/48/636754348.db2.gz DHRCZJPBOFCAJA-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@H+](CC1CCOCC1)C[C@@]1(C)CCCNC1 ZINC000111179323 636967722 /nfs/dbraw/zinc/96/77/22/636967722.db2.gz RKYDDMJUJUNAGY-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](CC1CCOCC1)C[C@@]1(C)CCCNC1 ZINC000111179323 636967723 /nfs/dbraw/zinc/96/77/23/636967723.db2.gz RKYDDMJUJUNAGY-AWEZNQCLSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(CCCCO)C1CC1 ZINC000903437621 637360095 /nfs/dbraw/zinc/36/00/95/637360095.db2.gz KQXTXXWJQYQOOP-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H]2OCC[C@@H]21 ZINC000903463479 637365101 /nfs/dbraw/zinc/36/51/01/637365101.db2.gz CFICGQJQASYUTF-VOAKCMCISA-N 1 3 224.348 1.095 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1COC[C@@H]1C1CC1 ZINC000904475130 637425416 /nfs/dbraw/zinc/42/54/16/637425416.db2.gz ISTGYNQRZMGIGN-YXCITZCRSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@](O)(CNC[C@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058434 637591016 /nfs/dbraw/zinc/59/10/16/637591016.db2.gz GPHXDACETQVGPX-SKDRFNHKSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@](O)(CNC[C@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058434 637591024 /nfs/dbraw/zinc/59/10/24/637591024.db2.gz GPHXDACETQVGPX-SKDRFNHKSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@](O)(C[NH2+]C[C@H]1CCN(C2CC2)C1)C(F)F ZINC000905058434 637591030 /nfs/dbraw/zinc/59/10/30/637591030.db2.gz GPHXDACETQVGPX-SKDRFNHKSA-N 1 3 248.317 1.076 20 0 BDADHO NC1CC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000906511104 638183962 /nfs/dbraw/zinc/18/39/62/638183962.db2.gz SPRHKVXTBVZLFD-ABXWRUBCSA-N 1 3 216.328 1.869 20 0 BDADHO [NH3+]C1CC(NC[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000906511104 638183966 /nfs/dbraw/zinc/18/39/66/638183966.db2.gz SPRHKVXTBVZLFD-ABXWRUBCSA-N 1 3 216.328 1.869 20 0 BDADHO [NH3+][C@H]1C[C@H](NC[C@@H]2CCOc3ccccc32)C1 ZINC000906516710 638187175 /nfs/dbraw/zinc/18/71/75/638187175.db2.gz IJAFGVFGTNGXOZ-SRVKXCTJSA-N 1 3 232.327 1.632 20 0 BDADHO N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000906516710 638187177 /nfs/dbraw/zinc/18/71/77/638187177.db2.gz IJAFGVFGTNGXOZ-SRVKXCTJSA-N 1 3 232.327 1.632 20 0 BDADHO CO[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1C ZINC000230309025 638589702 /nfs/dbraw/zinc/58/97/02/638589702.db2.gz HJTMBTJTXOFESQ-XQQFMLRXSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1CC[C@H](N2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354615 640167024 /nfs/dbraw/zinc/16/70/24/640167024.db2.gz KZOZXVYBMJSJJT-QWHCGFSZSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@H]([NH+]2CCC(C)(N(C)C)CC2)C1 ZINC000931354615 640167029 /nfs/dbraw/zinc/16/70/29/640167029.db2.gz KZOZXVYBMJSJJT-QWHCGFSZSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)CCO1 ZINC000932346143 640487602 /nfs/dbraw/zinc/48/76/02/640487602.db2.gz FUKJKCGCHIXKHW-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)CCO1 ZINC000932346143 640487610 /nfs/dbraw/zinc/48/76/10/640487610.db2.gz FUKJKCGCHIXKHW-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H](O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224234814 640603576 /nfs/dbraw/zinc/60/35/76/640603576.db2.gz XOSLWBJEDOSSKX-SRVKXCTJSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H](O)c2ccccc2)C1 ZINC000224882382 640646396 /nfs/dbraw/zinc/64/63/96/640646396.db2.gz IAMRDIPSTPLJLD-AEGPPILISA-N 1 3 248.370 1.779 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccc(CO)c1 ZINC000227457157 640834445 /nfs/dbraw/zinc/83/44/45/640834445.db2.gz RZIATJOLLFWXCS-ZIAGYGMSSA-N 1 3 234.343 1.396 20 0 BDADHO CC(C)(CCO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000227909192 640854097 /nfs/dbraw/zinc/85/40/97/640854097.db2.gz PUBRMDGCJPRNHF-NEPJUHHUSA-N 1 3 228.380 1.502 20 0 BDADHO CCOC1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062862322 641101286 /nfs/dbraw/zinc/10/12/86/641101286.db2.gz IMXUTURGBCAEBJ-AWEZNQCLSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@H+](CCc1cccnc1)C1CCNCC1 ZINC000063223625 641144771 /nfs/dbraw/zinc/14/47/71/641144771.db2.gz GQZDAHRXEBMGLV-UHFFFAOYSA-N 1 3 219.332 1.308 20 0 BDADHO C[N@@H+](CCc1cccnc1)C1CCNCC1 ZINC000063223625 641144777 /nfs/dbraw/zinc/14/47/77/641144777.db2.gz GQZDAHRXEBMGLV-UHFFFAOYSA-N 1 3 219.332 1.308 20 0 BDADHO CN(C[C@H](O)CC1CCCC1)C1CC[NH2+]CC1 ZINC000232148350 641248370 /nfs/dbraw/zinc/24/83/70/641248370.db2.gz HQUZMZKIFNRPOP-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@H+](C[C@H](O)CC1CCCC1)C1CCNCC1 ZINC000232148350 641248376 /nfs/dbraw/zinc/24/83/76/641248376.db2.gz HQUZMZKIFNRPOP-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@@H+](C[C@H](O)CC1CCCC1)C1CCNCC1 ZINC000232148350 641248383 /nfs/dbraw/zinc/24/83/83/641248383.db2.gz HQUZMZKIFNRPOP-CQSZACIVSA-N 1 3 240.391 1.611 20 0 BDADHO C[NH+](C)CCCC[NH2+]Cc1ccc([O-])c(F)c1 ZINC000232422580 641277380 /nfs/dbraw/zinc/27/73/80/641277380.db2.gz KVXWYVPIOZESRS-UHFFFAOYSA-N 1 3 240.322 1.963 20 0 BDADHO CC[C@@H](CO)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929695412 641402103 /nfs/dbraw/zinc/40/21/03/641402103.db2.gz GDJHPRSMYIERGH-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO CCN1CC[C@@H]([NH2+]CC2(C)OCCO2)[C@H](C)C1 ZINC000179567359 642728826 /nfs/dbraw/zinc/72/88/26/642728826.db2.gz WNTLGBRHQVUBCP-VXGBXAGGSA-N 1 3 242.363 1.069 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3n[nH]cc32)CC[N@@H+]1C ZINC000353531796 642865921 /nfs/dbraw/zinc/86/59/21/642865921.db2.gz PHRBHXYJADSJAN-NQBHXWOUSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCc3n[nH]cc32)CC[N@H+]1C ZINC000353531796 642865925 /nfs/dbraw/zinc/86/59/25/642865925.db2.gz PHRBHXYJADSJAN-NQBHXWOUSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H]1CN(CCC[NH3+])Cc2ccccc21 ZINC000082791065 643382887 /nfs/dbraw/zinc/38/28/87/643382887.db2.gz KUENAXTYIDPLEB-LLVKDONJSA-N 1 3 204.317 1.955 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000084218019 643649729 /nfs/dbraw/zinc/64/97/29/643649729.db2.gz GUFDBIKPXNLDRX-UHTWSYAYSA-N 1 3 219.332 1.860 20 0 BDADHO C[C@@H](CNCc1cc[nH]c(=O)c1)C[NH+](C)C ZINC000922139424 643870858 /nfs/dbraw/zinc/87/08/58/643870858.db2.gz ICVVKNBALLBFFN-JTQLQIEISA-N 1 3 223.320 1.075 20 0 BDADHO C[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)CN(C)C ZINC000922139424 643870862 /nfs/dbraw/zinc/87/08/62/643870862.db2.gz ICVVKNBALLBFFN-JTQLQIEISA-N 1 3 223.320 1.075 20 0 BDADHO Cc1ccc([C@@H](O)CN2CC[C@H](C[NH3+])C2)cc1 ZINC000923280256 644312149 /nfs/dbraw/zinc/31/21/49/644312149.db2.gz FZHUCMCOPMAUFN-OCCSQVGLSA-N 1 3 234.343 1.309 20 0 BDADHO CCC[N@H+](C[C@@H](O)CSC)C1CCNCC1 ZINC000923327899 644347656 /nfs/dbraw/zinc/34/76/56/644347656.db2.gz SWTGUUFVQGNHQM-GFCCVEGCSA-N 1 3 246.420 1.174 20 0 BDADHO CCC[N@@H+](C[C@@H](O)CSC)C1CCNCC1 ZINC000923327899 644347658 /nfs/dbraw/zinc/34/76/58/644347658.db2.gz SWTGUUFVQGNHQM-GFCCVEGCSA-N 1 3 246.420 1.174 20 0 BDADHO CCCN(C[C@@H](O)CSC)C1CC[NH2+]CC1 ZINC000923327899 644347662 /nfs/dbraw/zinc/34/76/62/644347662.db2.gz SWTGUUFVQGNHQM-GFCCVEGCSA-N 1 3 246.420 1.174 20 0 BDADHO Cc1ccc([C@H](O)CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000923330775 644349859 /nfs/dbraw/zinc/34/98/59/644349859.db2.gz IOCNDTFWJVXEMD-NWANDNLSSA-N 1 3 248.370 1.698 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000923355808 644372024 /nfs/dbraw/zinc/37/20/24/644372024.db2.gz OGIAGOAKHYNXBF-LSDHHAIUSA-N 1 3 248.370 1.261 20 0 BDADHO NCC(C[NH3+])N[C@H]1CCCc2ccc(F)cc21 ZINC000923359134 644374084 /nfs/dbraw/zinc/37/40/84/644374084.db2.gz MJUJGGVNSBSTRN-ZDUSSCGKSA-N 1 3 237.322 1.079 20 0 BDADHO CC(C)CC[C@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000923412203 644413968 /nfs/dbraw/zinc/41/39/68/644413968.db2.gz PZJAPHYWROQKOE-KBPBESRZSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)CC[C@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000923412203 644413975 /nfs/dbraw/zinc/41/39/75/644413975.db2.gz PZJAPHYWROQKOE-KBPBESRZSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@@H](c1cnccn1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492301 644468150 /nfs/dbraw/zinc/46/81/50/644468150.db2.gz BMMOFGAZBAJHCY-WOPDTQHZSA-N 1 3 234.347 1.454 20 0 BDADHO Cc1c[nH]nc1CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923493719 644470619 /nfs/dbraw/zinc/47/06/19/644470619.db2.gz UMCLZBBCHLTLFW-WDEREUQCSA-N 1 3 222.336 1.135 20 0 BDADHO CN1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000250646975 644773136 /nfs/dbraw/zinc/77/31/36/644773136.db2.gz VOVQYJIHGROAPL-XDQVBPFNSA-N 1 3 237.391 1.201 20 0 BDADHO NC[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000251455455 644804594 /nfs/dbraw/zinc/80/45/94/644804594.db2.gz UFCQMJACQQTLNM-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000251455455 644804599 /nfs/dbraw/zinc/80/45/99/644804599.db2.gz UFCQMJACQQTLNM-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+]C[C@H]1CCCN(CC[C@H]2CCCO2)C1 ZINC000251455455 644804606 /nfs/dbraw/zinc/80/46/06/644804606.db2.gz UFCQMJACQQTLNM-VXGBXAGGSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251469880 644805082 /nfs/dbraw/zinc/80/50/82/644805082.db2.gz VRLUZAMIMVJPDT-QNWHQSFQSA-N 1 3 226.364 1.255 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000252953969 644927501 /nfs/dbraw/zinc/92/75/01/644927501.db2.gz HEDDJLBPEWILIN-KXUCPTDWSA-N 1 3 202.367 1.455 20 0 BDADHO Cc1ccc(OCC[NH2+]CC2(N)CCC2)cc1 ZINC000843368030 645285071 /nfs/dbraw/zinc/28/50/71/645285071.db2.gz LOQUOKNPEGZQDT-UHFFFAOYSA-N 1 3 234.343 1.845 20 0 BDADHO CN1CC[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487227 645463773 /nfs/dbraw/zinc/46/37/73/645463773.db2.gz LYJLVFDMTFCKSB-NDBYEHHHSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@H]1NCCC[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000925489725 645533203 /nfs/dbraw/zinc/53/32/03/645533203.db2.gz LHKFDQWYPWEFQS-DOMZBBRYSA-N 1 3 247.386 1.983 20 0 BDADHO C[C@H]1NCCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000925489729 645533874 /nfs/dbraw/zinc/53/38/74/645533874.db2.gz LHKFDQWYPWEFQS-IUODEOHRSA-N 1 3 247.386 1.983 20 0 BDADHO CC(C)CC[NH+]1CCC(NC[C@@H](C)O)CC1 ZINC000924527000 646048973 /nfs/dbraw/zinc/04/89/73/646048973.db2.gz JHEMZQCGNOCZMC-GFCCVEGCSA-N 1 3 228.380 1.467 20 0 BDADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)CCC ZINC000929412085 646112278 /nfs/dbraw/zinc/11/22/78/646112278.db2.gz MACNGWAFBXKFKH-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)CCC ZINC000929412085 646112284 /nfs/dbraw/zinc/11/22/84/646112284.db2.gz MACNGWAFBXKFKH-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@@H](CO)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689126 646245756 /nfs/dbraw/zinc/24/57/56/646245756.db2.gz BWJPJHIFSDRIBD-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H](O)CC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925499621 646303041 /nfs/dbraw/zinc/30/30/41/646303041.db2.gz RLZMDCBZYXVGCF-IACUBPJLSA-N 1 3 240.391 1.515 20 0 BDADHO C1C[C@@H]2CC[C@H](N[C@@H]3C[NH2+]CCOC3)C[C@H]2C1 ZINC000925515066 646310954 /nfs/dbraw/zinc/31/09/54/646310954.db2.gz SEOVGSREPXFREA-YIYPIFLZSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925542809 646323684 /nfs/dbraw/zinc/32/36/84/646323684.db2.gz PKEPFTUTVMOTGB-MRVWCRGKSA-N 1 3 245.370 1.872 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1(C)C ZINC000925553423 646329518 /nfs/dbraw/zinc/32/95/18/646329518.db2.gz RHYXSSPCLPPLBQ-RTXFEEFZSA-N 1 3 237.391 1.199 20 0 BDADHO CCN1CCCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925573827 646342154 /nfs/dbraw/zinc/34/21/54/646342154.db2.gz PXPXKNBLAQPMIG-STQMWFEESA-N 1 3 239.407 1.591 20 0 BDADHO CC1(C)C[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000925597674 646352067 /nfs/dbraw/zinc/35/20/67/646352067.db2.gz RAUOFEMLOFRTDX-QWRGUYRKSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925678037 646401983 /nfs/dbraw/zinc/40/19/83/646401983.db2.gz YNMACCAQSUVXRF-GWOFURMSSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925678037 646401985 /nfs/dbraw/zinc/40/19/85/646401985.db2.gz YNMACCAQSUVXRF-GWOFURMSSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925678038 646403378 /nfs/dbraw/zinc/40/33/78/646403378.db2.gz YNMACCAQSUVXRF-ZNSHCXBVSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925678038 646403381 /nfs/dbraw/zinc/40/33/81/646403381.db2.gz YNMACCAQSUVXRF-ZNSHCXBVSA-N 1 3 212.337 1.269 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CCC2)C12CCC2 ZINC000925675310 646404756 /nfs/dbraw/zinc/40/47/56/646404756.db2.gz VJXAOQVEBQFMRK-YNEHKIRRSA-N 1 3 238.375 1.397 20 0 BDADHO FC1(F)C[C@@H]1CC[NH2+][C@H]1CCNC12CCC2 ZINC000925720066 646444350 /nfs/dbraw/zinc/44/43/50/646444350.db2.gz FDOLMKSWGRXABI-UWVGGRQHSA-N 1 3 230.302 1.906 20 0 BDADHO FC1(F)C[C@@H]1CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925720067 646444797 /nfs/dbraw/zinc/44/47/97/646444797.db2.gz FDOLMKSWGRXABI-VHSXEESVSA-N 1 3 230.302 1.906 20 0 BDADHO C[C@@H](NCCC(C)(C)[NH3+])c1cccc(CO)c1 ZINC000925742883 646464629 /nfs/dbraw/zinc/46/46/29/646464629.db2.gz YIHQRVQWWSDPHO-LLVKDONJSA-N 1 3 236.359 1.957 20 0 BDADHO Nc1ccnc(CN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000925767148 646467927 /nfs/dbraw/zinc/46/79/27/646467927.db2.gz NIPFPNCFOQFCHA-CHWSQXEVSA-N 1 3 234.347 1.413 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@H]1CC(C)(C)CO1 ZINC000925775734 646476294 /nfs/dbraw/zinc/47/62/94/646476294.db2.gz RSZCZQDTTRAJSB-AGIUHOORSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1Cc2cc(C[NH2+][C@@H]3CCC[C@H]3N)ccc2O1 ZINC000925829299 646499153 /nfs/dbraw/zinc/49/91/53/646499153.db2.gz AUYAYHIXWVEFGL-LERXQTSPSA-N 1 3 246.354 1.979 20 0 BDADHO C[C@H]1OCC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925846081 646510203 /nfs/dbraw/zinc/51/02/03/646510203.db2.gz OCJKJNBOVWUEGU-YVECIDJPSA-N 1 3 224.348 1.286 20 0 BDADHO Cc1ccc(NCCN[C@H]2CCC[C@H]2C[NH3+])nc1 ZINC000925877047 646527086 /nfs/dbraw/zinc/52/70/86/646527086.db2.gz DNKGVHCNNKYVMA-STQMWFEESA-N 1 3 248.374 1.519 20 0 BDADHO C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000925722217 711719944 /nfs/dbraw/zinc/71/99/44/711719944.db2.gz UDZFLBCWPKPIME-FVCCEPFGSA-N 1 3 224.348 1.001 20 0 BDADHO C[C@H](C[C@H]1CCOC1)[NH2+]CC[C@H](C)N(C)C ZINC000700602480 711849132 /nfs/dbraw/zinc/84/91/32/711849132.db2.gz BJQNMGNIWMTQSW-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000721929065 711937817 /nfs/dbraw/zinc/93/78/17/711937817.db2.gz WTLMJUDEUHDGMF-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO COCCN(CCF)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000700384336 711991096 /nfs/dbraw/zinc/99/10/96/711991096.db2.gz GHHDPTDSMTWNQT-VXGBXAGGSA-N 1 3 232.343 1.292 20 0 BDADHO C[C@H](O)CCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705669002 712134891 /nfs/dbraw/zinc/13/48/91/712134891.db2.gz LHYLFSLEQKWAAW-AVGNSLFASA-N 1 3 226.364 1.031 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711428558 712299261 /nfs/dbraw/zinc/29/92/61/712299261.db2.gz ZLWMXYMFTRZHHW-TUAOUCFPSA-N 1 3 238.375 1.804 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711450108 712301578 /nfs/dbraw/zinc/30/15/78/712301578.db2.gz JHDJBKCOICVKPZ-CHWSQXEVSA-N 1 3 246.370 1.369 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711450108 712301579 /nfs/dbraw/zinc/30/15/79/712301579.db2.gz JHDJBKCOICVKPZ-CHWSQXEVSA-N 1 3 246.370 1.369 20 0 BDADHO C[C@@]1(CN2CCC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711454820 712303711 /nfs/dbraw/zinc/30/37/11/712303711.db2.gz NKDZCOTZKJSTFP-NWDGAFQWSA-N 1 3 214.328 1.668 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@]3(C)CCCNC3)C[C@@H]21 ZINC000379573492 712388683 /nfs/dbraw/zinc/38/86/83/712388683.db2.gz XMTQYMOACNXMTB-MBNYWOFBSA-N 1 3 222.376 1.964 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@]3(C)CCCNC3)C[C@@H]21 ZINC000379573492 712388685 /nfs/dbraw/zinc/38/86/85/712388685.db2.gz XMTQYMOACNXMTB-MBNYWOFBSA-N 1 3 222.376 1.964 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@@]3(C)CCCNC3)C[C@@H]21 ZINC000379573494 712388831 /nfs/dbraw/zinc/38/88/31/712388831.db2.gz XMTQYMOACNXMTB-SCRDCRAPSA-N 1 3 222.376 1.964 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@@]3(C)CCCNC3)C[C@@H]21 ZINC000379573494 712388833 /nfs/dbraw/zinc/38/88/33/712388833.db2.gz XMTQYMOACNXMTB-SCRDCRAPSA-N 1 3 222.376 1.964 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C1CNC1 ZINC000712466079 712430473 /nfs/dbraw/zinc/43/04/73/712430473.db2.gz UNWWHEFJIYQSMN-XRRVDJEJSA-N 1 3 208.349 1.763 20 0 BDADHO [NH3+]C[C@H]1CCCN1CC[C@@H]1C[C@H]1C1CC1 ZINC000714783432 712498218 /nfs/dbraw/zinc/49/82/18/712498218.db2.gz SHZZMFDMTHAGRQ-UPJWGTAASA-N 1 3 208.349 1.846 20 0 BDADHO NCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723630070 710729925 /nfs/dbraw/zinc/72/99/25/710729925.db2.gz VSRLDGUYJWPNQZ-IJLUTSLNSA-N 1 3 212.337 1.130 20 0 BDADHO CC(C)CCOCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383812135 710946094 /nfs/dbraw/zinc/94/60/94/710946094.db2.gz VOXZJQKCLOMMIZ-UONOGXRCSA-N 1 3 240.391 1.590 20 0 BDADHO CC(C)OCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396612692 711360984 /nfs/dbraw/zinc/36/09/84/711360984.db2.gz FJBHWBQWPYKYOA-RYUDHWBXSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)N1CCCCC1 ZINC000396570254 711354405 /nfs/dbraw/zinc/35/44/05/711354405.db2.gz AJTXQOYHCNFBJT-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO CSC(C)(C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396639631 711357459 /nfs/dbraw/zinc/35/74/59/711357459.db2.gz IKHSXEFJMRQDRI-NXEZZACHSA-N 1 3 216.394 1.858 20 0 BDADHO COCCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396580109 711357477 /nfs/dbraw/zinc/35/74/77/711357477.db2.gz FAQYQUOZNONOTB-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@]2(C)CCC[NH2+]C2)O1 ZINC000398133832 711402482 /nfs/dbraw/zinc/40/24/82/711402482.db2.gz WSHGMDFUJKYXQB-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CCCN(C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000381266953 710614893 /nfs/dbraw/zinc/61/48/93/710614893.db2.gz ULGUJOBONNWZCP-ZDUSSCGKSA-N 1 3 226.364 1.318 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H](C)[C@H](CN)C1)C(C)C ZINC000721963722 710693706 /nfs/dbraw/zinc/69/37/06/710693706.db2.gz LDXYPUIHVWRJTG-MCIONIFRSA-N 1 3 242.407 1.822 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H](C)[C@H](CN)C1)C(C)C ZINC000721963722 710693708 /nfs/dbraw/zinc/69/37/08/710693708.db2.gz LDXYPUIHVWRJTG-MCIONIFRSA-N 1 3 242.407 1.822 20 0 BDADHO C[C@H]1C[C@H](NCc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645020 711150645 /nfs/dbraw/zinc/15/06/45/711150645.db2.gz RADFWXWGXKPCIK-CMPLNLGQSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@H]1C[C@H](NCc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645020 711150648 /nfs/dbraw/zinc/15/06/48/711150648.db2.gz RADFWXWGXKPCIK-CMPLNLGQSA-N 1 3 235.331 1.360 20 0 BDADHO CC(C)OCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396612688 711362212 /nfs/dbraw/zinc/36/22/12/711362212.db2.gz FJBHWBQWPYKYOA-NEPJUHHUSA-N 1 3 214.353 1.532 20 0 BDADHO CN(CCC(C)(C)C)C[C@@H](O)C[NH+]1CCCC1 ZINC000399660872 711433698 /nfs/dbraw/zinc/43/36/98/711433698.db2.gz GUCBZXWIUHCRPW-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO COC[C@@H](CN1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000723452934 711500426 /nfs/dbraw/zinc/50/04/26/711500426.db2.gz AZZFHHYXGUPTRB-IJLUTSLNSA-N 1 3 214.353 1.184 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000723122567 711505894 /nfs/dbraw/zinc/50/58/94/711505894.db2.gz QSQFDQZFABLETF-RNJOBUHISA-N 1 3 210.365 1.949 20 0 BDADHO CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000723122567 711505896 /nfs/dbraw/zinc/50/58/96/711505896.db2.gz QSQFDQZFABLETF-RNJOBUHISA-N 1 3 210.365 1.949 20 0 BDADHO C(C1CCOCC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257662727 711724389 /nfs/dbraw/zinc/72/43/89/711724389.db2.gz GOSROZPGPHUJFD-CQSZACIVSA-N 1 3 238.375 1.631 20 0 BDADHO C(C1CCOCC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257662727 711724390 /nfs/dbraw/zinc/72/43/90/711724390.db2.gz GOSROZPGPHUJFD-CQSZACIVSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CSC[C@H]1C)N(C)C ZINC000700489736 711994432 /nfs/dbraw/zinc/99/44/32/711994432.db2.gz UAXUQIVSNMVJJA-VWYCJHECSA-N 1 3 216.394 1.668 20 0 BDADHO Cc1nccn1CCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702075835 712038116 /nfs/dbraw/zinc/03/81/16/712038116.db2.gz DZYUCXIISSLCHE-UONOGXRCSA-N 1 3 248.374 1.123 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1(Cl)CC1 ZINC000702264793 712043256 /nfs/dbraw/zinc/04/32/56/712043256.db2.gz WCURNUOVTFRIPO-SNVBAGLBSA-N 1 3 246.782 1.193 20 0 BDADHO CC1(O)CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000703606821 712080701 /nfs/dbraw/zinc/08/07/01/712080701.db2.gz ZQVADKHESZDNNF-RJZJGCCBSA-N 1 3 240.391 1.787 20 0 BDADHO COC1CC(C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)C1 ZINC000703870373 712091736 /nfs/dbraw/zinc/09/17/36/712091736.db2.gz DVWSGUXTMKOSGO-VZANTVGXSA-N 1 3 240.391 1.717 20 0 BDADHO COC1CC(C[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)C1 ZINC000703870373 712091737 /nfs/dbraw/zinc/09/17/37/712091737.db2.gz DVWSGUXTMKOSGO-VZANTVGXSA-N 1 3 240.391 1.717 20 0 BDADHO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccncc1CO ZINC000705128919 712122417 /nfs/dbraw/zinc/12/24/17/712122417.db2.gz OSLVTZBSVMLHPT-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccncc1CO ZINC000705128919 712122418 /nfs/dbraw/zinc/12/24/18/712122418.db2.gz OSLVTZBSVMLHPT-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO CC[C@H](O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705661424 712135251 /nfs/dbraw/zinc/13/52/51/712135251.db2.gz ZZAKUFFYOFMEAL-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CCS1 ZINC000707208946 712165911 /nfs/dbraw/zinc/16/59/11/712165911.db2.gz QZJBJUJMUNHTTJ-FRRDWIJNSA-N 1 3 242.432 1.915 20 0 BDADHO C[C@@]1(C[N@@H+]2CC[C@@]3(CCOC3)C2)CCCNC1 ZINC000707211448 712167171 /nfs/dbraw/zinc/16/71/71/712167171.db2.gz BFNTYUCBULXXIG-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO C[C@@]1(C[N@H+]2CC[C@@]3(CCOC3)C2)CCCNC1 ZINC000707211448 712167173 /nfs/dbraw/zinc/16/71/73/712167173.db2.gz BFNTYUCBULXXIG-ZIAGYGMSSA-N 1 3 238.375 1.489 20 0 BDADHO CCOC[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000707599428 712176049 /nfs/dbraw/zinc/17/60/49/712176049.db2.gz RCKMJVAUPGQFPZ-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1ccns1 ZINC000709824816 712228796 /nfs/dbraw/zinc/22/87/96/712228796.db2.gz JBPGDLPIQFNBCI-JQWIXIFHSA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccns1 ZINC000709824816 712228799 /nfs/dbraw/zinc/22/87/99/712228799.db2.gz JBPGDLPIQFNBCI-JQWIXIFHSA-N 1 3 239.388 1.793 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNc2cc(C)nc(N)n2)C1 ZINC000710337088 712252220 /nfs/dbraw/zinc/25/22/20/712252220.db2.gz MXEYSMAZWHHERY-NSHDSACASA-N 1 3 249.362 1.511 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNc2cc(C)nc(N)n2)C1 ZINC000710337088 712252221 /nfs/dbraw/zinc/25/22/21/712252221.db2.gz MXEYSMAZWHHERY-NSHDSACASA-N 1 3 249.362 1.511 20 0 BDADHO C[C@@H](NC[C@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241543 712291129 /nfs/dbraw/zinc/29/11/29/712291129.db2.gz XHCWLYYGPIALQM-ZYHUDNBSSA-N 1 3 226.364 1.389 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CCC2(CCC2)O1 ZINC000711428558 712299260 /nfs/dbraw/zinc/29/92/60/712299260.db2.gz ZLWMXYMFTRZHHW-TUAOUCFPSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712437759 712429638 /nfs/dbraw/zinc/42/96/38/712429638.db2.gz KMTXIOMAPWBPQT-STQMWFEESA-N 1 3 238.375 1.759 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438265 712429758 /nfs/dbraw/zinc/42/97/58/712429758.db2.gz NURBPEZGRWNXPL-QWHCGFSZSA-N 1 3 238.375 1.759 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)C1CNC1 ZINC000712646295 712439518 /nfs/dbraw/zinc/43/95/18/712439518.db2.gz CLVZLMORJOJQIC-NDMJEZRESA-N 1 3 208.349 1.620 20 0 BDADHO CC(C)N1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000712555254 712445418 /nfs/dbraw/zinc/44/54/18/712445418.db2.gz FLNNROMUGQBREA-CYBMUJFWSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCNCCC23CCC3)O1 ZINC000713209539 712455117 /nfs/dbraw/zinc/45/51/17/712455117.db2.gz CIKWYQYNKAOPDM-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCNCCC23CCC3)O1 ZINC000713209539 712455118 /nfs/dbraw/zinc/45/51/18/712455118.db2.gz CIKWYQYNKAOPDM-CHWSQXEVSA-N 1 3 238.375 1.772 20 0 BDADHO C=C/C=C/CCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000713642429 712467779 /nfs/dbraw/zinc/46/77/79/712467779.db2.gz LIXANZWHHYXCFF-QITAHTHBSA-N 1 3 206.333 1.660 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000714700810 712495629 /nfs/dbraw/zinc/49/56/29/712495629.db2.gz PXRYQQCFCFMZGX-LPWJVIDDSA-N 1 3 226.364 1.519 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000715203544 712513646 /nfs/dbraw/zinc/51/36/46/712513646.db2.gz DXJRFMCURKLRJZ-STQMWFEESA-N 1 3 249.358 1.750 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CC13CC3)[NH2+]2 ZINC000715261517 712514776 /nfs/dbraw/zinc/51/47/76/712514776.db2.gz NSZOAQMJSOMFEC-LVEVGFFFSA-N 1 3 206.333 1.658 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000715291462 712515850 /nfs/dbraw/zinc/51/58/50/712515850.db2.gz IJTUSWLADMRTCI-JHJVBQTASA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1[C@@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CO[C@H]1C ZINC000715545838 712527122 /nfs/dbraw/zinc/52/71/22/712527122.db2.gz ZBUPGNDBBNZMEQ-HPCHECBXSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CO[C@H]1C ZINC000715545838 712527123 /nfs/dbraw/zinc/52/71/23/712527123.db2.gz ZBUPGNDBBNZMEQ-HPCHECBXSA-N 1 3 240.391 1.872 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)c2ccsc2)C1 ZINC000300400988 712670512 /nfs/dbraw/zinc/67/05/12/712670512.db2.gz HPJUXBDKWVKXMA-WOPDTQHZSA-N 1 3 240.372 1.641 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000720873534 712873468 /nfs/dbraw/zinc/87/34/68/712873468.db2.gz QNLUBGZUGDVYCV-XDQVBPFNSA-N 1 3 238.375 1.615 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(CCCOC)C[C@H]2C1 ZINC001209055442 957307748 /nfs/dbraw/zinc/30/77/48/957307748.db2.gz YPLYDOFZEJVNCS-BETUJISGSA-N 1 3 226.364 1.297 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405203090 959159407 /nfs/dbraw/zinc/15/94/07/959159407.db2.gz BVCXZJCYAIZGIE-DCAQKATOSA-N 1 3 212.337 1.007 20 0 BDADHO CCC[C@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203090 959159431 /nfs/dbraw/zinc/15/94/31/959159431.db2.gz BVCXZJCYAIZGIE-DCAQKATOSA-N 1 3 212.337 1.007 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@H](O)CC2CCCC2)C1 ZINC000300032674 959827761 /nfs/dbraw/zinc/82/77/61/959827761.db2.gz SZVOCQACKZHWRI-ZIAGYGMSSA-N 1 3 240.391 1.469 20 0 BDADHO CC[N@@H+]1CC[C@H](Oc2ccnc(N)c2)C1 ZINC001226657421 975007027 /nfs/dbraw/zinc/00/70/27/975007027.db2.gz PMCJGGFQQCGKEG-JTQLQIEISA-N 1 3 207.277 1.137 20 0 BDADHO CC[N@H+]1CC[C@H](Oc2ccnc(N)c2)C1 ZINC001226657421 975007035 /nfs/dbraw/zinc/00/70/35/975007035.db2.gz PMCJGGFQQCGKEG-JTQLQIEISA-N 1 3 207.277 1.137 20 0 BDADHO Cc1cncc(CN2CCC(F)(C[NH3+])CC2)c1 ZINC001222532413 960684631 /nfs/dbraw/zinc/68/46/31/960684631.db2.gz LMCKHPODAMYMFQ-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001482890093 964233813 /nfs/dbraw/zinc/23/38/13/964233813.db2.gz VNGFDYSQASZZFZ-NWDGAFQWSA-N 1 3 243.395 1.077 20 0 BDADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]C(C)C ZINC001161233428 964559984 /nfs/dbraw/zinc/55/99/84/964559984.db2.gz WGVLLANEJHAHHB-UHFFFAOYSA-N 1 3 243.395 1.221 20 0 BDADHO CO[C@H](CNCC[C@H](C)[NH+](C)C)C1CC1 ZINC000697877176 964601631 /nfs/dbraw/zinc/60/16/31/964601631.db2.gz BBNMJJUTDKYSRG-CMPLNLGQSA-N 1 3 214.353 1.341 20 0 BDADHO CC(C)(C)[C@H](O)CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000714960811 965568769 /nfs/dbraw/zinc/56/87/69/965568769.db2.gz JUZKDJJJDYCNEI-YNEHKIRRSA-N 1 3 240.391 1.467 20 0 BDADHO COC(=O)C1(C)CCC([NH2+]C2CC(N)C2)CC1 ZINC001168763779 968085917 /nfs/dbraw/zinc/08/59/17/968085917.db2.gz FPDZVSZXAJRBMK-UHFFFAOYSA-N 1 3 240.347 1.188 20 0 BDADHO C[NH+]1CCC2(CN(C[C@@H]3CCCCO3)C2)CC1 ZINC001207959600 968957083 /nfs/dbraw/zinc/95/70/83/968957083.db2.gz NNOLPLUKPXKOBN-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO C[NH+]1CCC(C)(CN2CC(C)(CO)C2)CC1 ZINC001208108049 968999727 /nfs/dbraw/zinc/99/97/27/968999727.db2.gz OFUBRCCBXIJRDE-UHFFFAOYSA-N 1 3 226.364 1.033 20 0 BDADHO CN1CCC=C(c2ccc(C[NH3+])nc2)C1 ZINC001241570288 969063286 /nfs/dbraw/zinc/06/32/86/969063286.db2.gz GISVEKGIWPIEHX-UHFFFAOYSA-N 1 3 203.289 1.259 20 0 BDADHO CCN(CCOC)C[C@@H]1CCC[N@H+](C)C1 ZINC001208603875 969158332 /nfs/dbraw/zinc/15/83/32/969158332.db2.gz HTQCWQBGGWCIPF-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO CCN(CCOC)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208603875 969158334 /nfs/dbraw/zinc/15/83/34/969158334.db2.gz HTQCWQBGGWCIPF-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO C[C@H]1CCC[C@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1 ZINC001253405499 969159247 /nfs/dbraw/zinc/15/92/47/969159247.db2.gz DRZMDJDQNZXWKW-AVGNSLFASA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H](N)c1nccn1[C@H]1CCC[N@H+](C)CC1 ZINC001254498391 969663598 /nfs/dbraw/zinc/66/35/98/969663598.db2.gz YKUDECFVGPDMFU-MNOVXSKESA-N 1 3 222.336 1.560 20 0 BDADHO C[C@@H](N)c1nccn1[C@H]1CCC[N@@H+](C)CC1 ZINC001254498391 969663607 /nfs/dbraw/zinc/66/36/07/969663607.db2.gz YKUDECFVGPDMFU-MNOVXSKESA-N 1 3 222.336 1.560 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957079 970593524 /nfs/dbraw/zinc/59/35/24/970593524.db2.gz ORXOGGABIHNRAR-AVGNSLFASA-N 1 3 228.380 1.419 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001255957079 970593530 /nfs/dbraw/zinc/59/35/30/970593530.db2.gz ORXOGGABIHNRAR-AVGNSLFASA-N 1 3 228.380 1.419 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@](C)(CO)C1 ZINC001255956507 970596986 /nfs/dbraw/zinc/59/69/86/970596986.db2.gz KUSNERYUAWSEKL-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@](C)(CO)C1 ZINC001255956507 970596992 /nfs/dbraw/zinc/59/69/92/970596992.db2.gz KUSNERYUAWSEKL-KBPBESRZSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001255961165 970602661 /nfs/dbraw/zinc/60/26/61/970602661.db2.gz VIDJTWKTPBHRKS-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001255961165 970602670 /nfs/dbraw/zinc/60/26/70/970602670.db2.gz VIDJTWKTPBHRKS-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2COC[C@@H]2C1 ZINC001255961165 970602682 /nfs/dbraw/zinc/60/26/82/970602682.db2.gz VIDJTWKTPBHRKS-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO [NH3+]CCCCN1CCC(O)(C(F)(F)F)CC1 ZINC000304569721 970617502 /nfs/dbraw/zinc/61/75/02/970617502.db2.gz MLNPPBVXJDECCJ-UHFFFAOYSA-N 1 3 240.269 1.115 20 0 BDADHO C[C@@H](CC[N@H+]1C[C@@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206454371 979119833 /nfs/dbraw/zinc/11/98/33/979119833.db2.gz DKNSNPCGUNRRFR-RWMBFGLXSA-N 1 3 242.407 1.700 20 0 BDADHO CC1(CN2C[C@H]3CC[C@]3([NH3+])C2)CCOCC1 ZINC001235980870 979260129 /nfs/dbraw/zinc/26/01/29/979260129.db2.gz RYIFFDCKNHANHJ-YPMHNXCESA-N 1 3 224.348 1.226 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC001342124518 979669270 /nfs/dbraw/zinc/66/92/70/979669270.db2.gz JXOHXGJJUHUQEZ-PWSUYJOCSA-N 1 3 241.379 1.008 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@H+](C[C@@H](C)N)C[C@H]1C ZINC001237114649 979817887 /nfs/dbraw/zinc/81/78/87/979817887.db2.gz LMMRFVHBHLQUFP-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO CCOC(=O)C[C@@H]1CC[N@@H+](C[C@@H](C)N)C[C@H]1C ZINC001237114649 979817890 /nfs/dbraw/zinc/81/78/90/979817890.db2.gz LMMRFVHBHLQUFP-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(CC(C)(C)O)C1 ZINC000081571067 982672750 /nfs/dbraw/zinc/67/27/50/982672750.db2.gz JYEUXIUVMNAZMY-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(CC(C)(C)O)C1 ZINC000081571067 982672757 /nfs/dbraw/zinc/67/27/57/982672757.db2.gz JYEUXIUVMNAZMY-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357454047 983720417 /nfs/dbraw/zinc/72/04/17/983720417.db2.gz SFWUNHOXEQGUGY-QJPTWQEYSA-N 1 3 241.379 1.008 20 0 BDADHO [NH3+]C[C@@H]1CN([C@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557499 972772738 /nfs/dbraw/zinc/77/27/38/972772738.db2.gz LWWWNLNSTRUFKB-YTWAJWBKSA-N 1 3 230.302 1.701 20 0 BDADHO CC(C)(C)[NH+]1CCC(N2CCC[C@@H]2CO)CC1 ZINC001256570120 970865217 /nfs/dbraw/zinc/86/52/17/970865217.db2.gz YLCYJVAKINJUOH-CYBMUJFWSA-N 1 3 240.391 1.706 20 0 BDADHO CN1C[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001256628958 970892753 /nfs/dbraw/zinc/89/27/53/970892753.db2.gz SMGFBRKHNKXTKQ-RRIFHVCJSA-N 1 3 249.402 1.105 20 0 BDADHO CN1C[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4C)C[C@@H]2C1 ZINC001256628958 970892761 /nfs/dbraw/zinc/89/27/61/970892761.db2.gz SMGFBRKHNKXTKQ-RRIFHVCJSA-N 1 3 249.402 1.105 20 0 BDADHO C1CC1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256675809 970914749 /nfs/dbraw/zinc/91/47/49/970914749.db2.gz JHOHNLBSVOQKAH-UHFFFAOYSA-N 1 3 224.348 1.382 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)O1 ZINC000405212245 971207450 /nfs/dbraw/zinc/20/74/50/971207450.db2.gz IOOXAQYQRUNWGO-KKOKHZNYSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](N)C23CCC3)O1 ZINC000405212245 971207454 /nfs/dbraw/zinc/20/74/54/971207454.db2.gz IOOXAQYQRUNWGO-KKOKHZNYSA-N 1 3 224.348 1.413 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCC2=CCCOC2)C12CCC2 ZINC000405237108 971214445 /nfs/dbraw/zinc/21/44/45/971214445.db2.gz FGLVSEMJUJDADK-NEPJUHHUSA-N 1 3 222.332 1.193 20 0 BDADHO COC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405223470 971215217 /nfs/dbraw/zinc/21/52/17/971215217.db2.gz NNGKFJUWCBHAAG-SDDRHHMPSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@@H](Nc1ccc([C@H](C)[NH3+])cc1)[C@H]1CNCCO1 ZINC001170575479 971231530 /nfs/dbraw/zinc/23/15/30/971231530.db2.gz XJBGQFWJWBRDOG-MISXGVKJSA-N 1 3 249.358 1.495 20 0 BDADHO CCC[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405392343 971246139 /nfs/dbraw/zinc/24/61/39/971246139.db2.gz HBSKLVSDDGMTKC-WOPDTQHZSA-N 1 3 226.364 1.661 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)OC ZINC000405392343 971246146 /nfs/dbraw/zinc/24/61/46/971246146.db2.gz HBSKLVSDDGMTKC-WOPDTQHZSA-N 1 3 226.364 1.661 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCOCC2CC2)C12CCC2 ZINC000405432331 971253444 /nfs/dbraw/zinc/25/34/44/971253444.db2.gz SOYUJDONZMIRQW-NEPJUHHUSA-N 1 3 224.348 1.273 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCN(C3CC3)C2)C12CCC2 ZINC000405483156 971265699 /nfs/dbraw/zinc/26/56/99/971265699.db2.gz NLNHPKNTGXLEIM-RTXFEEFZSA-N 1 3 235.375 1.083 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCN(C3CC3)C2)C12CCC2 ZINC000405483160 971267758 /nfs/dbraw/zinc/26/77/58/971267758.db2.gz NLNHPKNTGXLEIM-UHTWSYAYSA-N 1 3 235.375 1.083 20 0 BDADHO CCCCOC(=O)CC[C@H](C)[NH2+]C[C@H](C)CN ZINC001257381144 971294716 /nfs/dbraw/zinc/29/47/16/971294716.db2.gz JCEIZUXDCBSVKJ-NEPJUHHUSA-N 1 3 244.379 1.683 20 0 BDADHO CCCCOC(=O)CC[C@H](C)NC[C@H](C)C[NH3+] ZINC001257381144 971294721 /nfs/dbraw/zinc/29/47/21/971294721.db2.gz JCEIZUXDCBSVKJ-NEPJUHHUSA-N 1 3 244.379 1.683 20 0 BDADHO c1cc2c(c(O[C@@H]3CCCC[NH2+]C3)c1)CNC2 ZINC001217974506 971557751 /nfs/dbraw/zinc/55/77/51/971557751.db2.gz NUVBQQNCHSBBTE-GFCCVEGCSA-N 1 3 232.327 1.811 20 0 BDADHO C[C@@H]1C[C@@H](Oc2cccc3c2CNC3)C[NH2+]1 ZINC001218039428 971583435 /nfs/dbraw/zinc/58/34/35/971583435.db2.gz LOXQZBJQBDBSDC-MWLCHTKSSA-N 1 3 218.300 1.419 20 0 BDADHO C[C@@H]1C[C@@H](Oc2cccc3c2CNC3)CC[NH2+]1 ZINC001218059458 971595793 /nfs/dbraw/zinc/59/57/93/971595793.db2.gz JLAOAPQMFRQSHQ-PWSUYJOCSA-N 1 3 232.327 1.809 20 0 BDADHO c1cc2c(c(O[C@@H]3C[C@H]4CC[NH2+][C@H]4C3)c1)CNC2 ZINC001218251112 971651597 /nfs/dbraw/zinc/65/15/97/971651597.db2.gz QOCNBWHRPUQESV-QKCSRTOESA-N 1 3 244.338 1.809 20 0 BDADHO N[C@@H](C(=O)Nc1ccsc1)C1CC[NH2+]CC1 ZINC001218534932 971855795 /nfs/dbraw/zinc/85/57/95/971855795.db2.gz FJXUAIJPWCDWPY-SNVBAGLBSA-N 1 3 239.344 1.014 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc(N2CCCC2)nc1 ZINC001170898105 972056567 /nfs/dbraw/zinc/05/65/67/972056567.db2.gz BPJUFILAZXQZOL-LBPRGKRZSA-N 1 3 249.362 1.117 20 0 BDADHO Cc1ccc(N)cc1N[C@H](N)CCC[NH3+] ZINC001170900857 972067784 /nfs/dbraw/zinc/06/77/84/972067784.db2.gz YRHGLJXGGSSCAN-NSHDSACASA-N 1 3 208.309 1.013 20 0 BDADHO Cc1cc(N[C@@H](N)CCC[NH3+])ccc1N ZINC001170901001 972068280 /nfs/dbraw/zinc/06/82/80/972068280.db2.gz SUEMTVPWFGLMRG-LLVKDONJSA-N 1 3 208.309 1.013 20 0 BDADHO CO/C=C/c1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170902483 972077200 /nfs/dbraw/zinc/07/72/00/972077200.db2.gz DGYMKWPWBXTPKC-FROQITRMSA-N 1 3 235.331 1.739 20 0 BDADHO Cc1nc2c(ncc(N[C@@H](N)CCC[NH3+])c2C)[nH]1 ZINC001170906777 972080454 /nfs/dbraw/zinc/08/04/54/972080454.db2.gz XMQOQIRRKHSREC-SNVBAGLBSA-N 1 3 248.334 1.010 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc2c(c1)NCC2 ZINC001170905146 972080936 /nfs/dbraw/zinc/08/09/36/972080936.db2.gz SUUOVWMVRIADBQ-LBPRGKRZSA-N 1 3 220.320 1.090 20 0 BDADHO C[C@@H](N)c1nccn1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079197 972136008 /nfs/dbraw/zinc/13/60/08/972136008.db2.gz DWWCZYGKBPSNRQ-BBBLOLIVSA-N 1 3 208.309 1.216 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246115163 972177701 /nfs/dbraw/zinc/17/77/01/972177701.db2.gz XUKFDXXLACDIIX-VOAKCMCISA-N 1 3 246.370 1.870 20 0 BDADHO N[C@H](CCC[NH3+])C(=O)NCCC1=CCCCC1 ZINC001220253749 972197621 /nfs/dbraw/zinc/19/76/21/972197621.db2.gz BITDOSUGTGRNAM-GFCCVEGCSA-N 1 3 239.363 1.059 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2CCCOCC2)C1 ZINC001208603285 957084800 /nfs/dbraw/zinc/08/48/00/957084800.db2.gz ABFJGWFQJRWMJP-GFCCVEGCSA-N 1 3 212.337 1.051 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2CCCOCC2)C1 ZINC001208603285 957084815 /nfs/dbraw/zinc/08/48/15/957084815.db2.gz ABFJGWFQJRWMJP-GFCCVEGCSA-N 1 3 212.337 1.051 20 0 BDADHO CCN1CCN(C[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001208612519 957099989 /nfs/dbraw/zinc/09/99/89/957099989.db2.gz BIIRRFQHURZFDU-KGLIPLIRSA-N 1 3 239.407 1.354 20 0 BDADHO CCN1CCN(C[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001208612519 957099998 /nfs/dbraw/zinc/09/99/98/957099998.db2.gz BIIRRFQHURZFDU-KGLIPLIRSA-N 1 3 239.407 1.354 20 0 BDADHO CCOC(=O)C(C)(C)CN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246313507 972275090 /nfs/dbraw/zinc/27/50/90/972275090.db2.gz FEPFZYMIJSVRSD-QWRGUYRKSA-N 1 3 242.363 1.306 20 0 BDADHO CCOC(=O)C(C)(C)C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246313507 972275094 /nfs/dbraw/zinc/27/50/94/972275094.db2.gz FEPFZYMIJSVRSD-QWRGUYRKSA-N 1 3 242.363 1.306 20 0 BDADHO Cc1c(N)cc[nH+]c1N[C@H]1CCN(C)C1 ZINC001167270239 957611885 /nfs/dbraw/zinc/61/18/85/957611885.db2.gz PIOKVHRRXIKSRU-VIFPVBQESA-N 1 3 206.293 1.088 20 0 BDADHO CN1CC[C@H](Nc2[nH+]ccc3c2CCN3)C1 ZINC001167270210 957612130 /nfs/dbraw/zinc/61/21/30/957612130.db2.gz NRXQIRDYSTXVRK-VIFPVBQESA-N 1 3 218.304 1.166 20 0 BDADHO CCC[C@@H](CCO)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246358450 972303460 /nfs/dbraw/zinc/30/34/60/972303460.db2.gz FFSMSIJLNXZKOP-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO CC(C)OC1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246447927 972320873 /nfs/dbraw/zinc/32/08/73/972320873.db2.gz XVJXYTHXKGCNOI-BPCQOVAHSA-N 1 3 238.375 1.674 20 0 BDADHO CC(C)OC1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246447927 972320876 /nfs/dbraw/zinc/32/08/76/972320876.db2.gz XVJXYTHXKGCNOI-BPCQOVAHSA-N 1 3 238.375 1.674 20 0 BDADHO CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H](C)N)CC1 ZINC001221394612 972336056 /nfs/dbraw/zinc/33/60/56/972336056.db2.gz DGNKXWRDPLGQHJ-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(C)(C)O)CCN1 ZINC000707564116 958589002 /nfs/dbraw/zinc/58/90/02/958589002.db2.gz KIWREYDVEYAZHL-UTUOFQBUSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(C)(C)O)CCN1 ZINC000707564116 958589022 /nfs/dbraw/zinc/58/90/22/958589022.db2.gz KIWREYDVEYAZHL-UTUOFQBUSA-N 1 3 226.364 1.362 20 0 BDADHO CCC1(C[N@@H+]2CCC[C@@]23CCCNC3)COC1 ZINC001222231091 972414734 /nfs/dbraw/zinc/41/47/34/972414734.db2.gz IXKARJDJLAUTND-CQSZACIVSA-N 1 3 238.375 1.631 20 0 BDADHO CCC1(C[N@H+]2CCC[C@@]23CCCNC3)COC1 ZINC001222231091 972414743 /nfs/dbraw/zinc/41/47/43/972414743.db2.gz IXKARJDJLAUTND-CQSZACIVSA-N 1 3 238.375 1.631 20 0 BDADHO CO[C@H]1CN(C[C@@H]2C[NH2+]C[C@H]2C)CC[C@H]1C ZINC000300354909 959376758 /nfs/dbraw/zinc/37/67/58/959376758.db2.gz FIPIVYQXKZEJCS-NDBYEHHHSA-N 1 3 226.364 1.199 20 0 BDADHO CC(C)OCCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405351471 959446763 /nfs/dbraw/zinc/44/67/63/959446763.db2.gz OKTGMWMTTPZUKO-MNOVXSKESA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CO[C@H]1C ZINC000405562677 959459783 /nfs/dbraw/zinc/45/97/83/959459783.db2.gz ARABXHXDVHKTKV-QNSTZXKLSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CO[C@H]1C ZINC000405562677 959459789 /nfs/dbraw/zinc/45/97/89/959459789.db2.gz ARABXHXDVHKTKV-QNSTZXKLSA-N 1 3 238.375 1.626 20 0 BDADHO [NH3+]C[C@H]1CN(C[C@H]2CCCOC2)CCC1(F)F ZINC000708501084 959524512 /nfs/dbraw/zinc/52/45/12/959524512.db2.gz AWODCCGLOKSNFO-MNOVXSKESA-N 1 3 248.317 1.329 20 0 BDADHO C[C@@H]1CC(N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC000694767080 959992914 /nfs/dbraw/zinc/99/29/14/959992914.db2.gz XMVJWXYBFFCVCS-PRULPYPASA-N 1 3 226.364 1.673 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCC2CCOCC2)CCN1 ZINC000709375011 960536317 /nfs/dbraw/zinc/53/63/17/960536317.db2.gz LTAMWKBWWZZCOI-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO COC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709442353 960610705 /nfs/dbraw/zinc/61/07/05/960610705.db2.gz AIWIWCUPNWANIS-ZACCUICWSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@@H](CNc2cccc(N(C)C)n2)C[NH2+]1 ZINC001155095591 962976512 /nfs/dbraw/zinc/97/65/12/962976512.db2.gz QQJRVVJZMKBXSN-GHMZBOCLSA-N 1 3 234.347 1.558 20 0 BDADHO Nc1cc[nH+]c(N[C@H]2CNCc3ccsc32)c1 ZINC001155559947 963109322 /nfs/dbraw/zinc/10/93/22/963109322.db2.gz SKHRQEVAWYLXOC-JTQLQIEISA-N 1 3 246.339 1.982 20 0 BDADHO CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001271093467 963357812 /nfs/dbraw/zinc/35/78/12/963357812.db2.gz OOIQUAFLODYPPT-NWDGAFQWSA-N 1 3 243.395 1.029 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)CCO1 ZINC001168093787 963697315 /nfs/dbraw/zinc/69/73/15/963697315.db2.gz XSROZSUXWIDVPT-YNEHKIRRSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]1CCCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001157781705 963725000 /nfs/dbraw/zinc/72/50/00/963725000.db2.gz UDPVJKJDBBTLSH-RYUDHWBXSA-N 1 3 241.379 1.091 20 0 BDADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(CN)ncn1 ZINC001157797145 963728157 /nfs/dbraw/zinc/72/81/57/963728157.db2.gz MYPFVNQXWWWCNR-RYUDHWBXSA-N 1 3 249.362 1.220 20 0 BDADHO CN(C)c1cccc(N2CC[C@](F)(C[NH3+])C2)n1 ZINC001157809996 963733344 /nfs/dbraw/zinc/73/33/44/963733344.db2.gz VMNWATWKVKBFEQ-LBPRGKRZSA-N 1 3 238.310 1.025 20 0 BDADHO C[C@@H]1CN(c2cc(CN(C)C)ccn2)C[C@@H](C)[NH2+]1 ZINC001158187335 963823567 /nfs/dbraw/zinc/82/35/67/963823567.db2.gz YVCPKUBPSLVDHU-VXGBXAGGSA-N 1 3 248.374 1.330 20 0 BDADHO C[C@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CCO1 ZINC001168135923 963831443 /nfs/dbraw/zinc/83/14/43/963831443.db2.gz HYKLVLUXKRKXJD-STQMWFEESA-N 1 3 238.375 1.582 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CCN3CC[C@H]3C2)[nH+]1 ZINC001158435270 963874763 /nfs/dbraw/zinc/87/47/63/963874763.db2.gz XKAATKLJAHYKFO-NSHDSACASA-N 1 3 242.326 1.766 20 0 BDADHO CN1CC(CNc2[nH+]ccc3c2ccn3C)C1 ZINC001159219275 964021303 /nfs/dbraw/zinc/02/13/03/964021303.db2.gz ZAPSUNNRWMWPLM-UHFFFAOYSA-N 1 3 230.315 1.547 20 0 BDADHO CN1CC(CNc2[nH+]ccc3[nH]ccc32)C1 ZINC001159216114 964021975 /nfs/dbraw/zinc/02/19/75/964021975.db2.gz CXHQGRYPEGFIED-UHFFFAOYSA-N 1 3 216.288 1.536 20 0 BDADHO C(=Nc1cc([C@H]2CCCN2)no1)C1CC[NH2+]CC1 ZINC001159304777 964056216 /nfs/dbraw/zinc/05/62/16/964056216.db2.gz BZOCAOPMWQAIAG-LLVKDONJSA-N 1 3 248.330 1.778 20 0 BDADHO Cc1cnc(N[C@@H](C[NH3+])C(C)(C)C)cc1N ZINC001160914352 964445394 /nfs/dbraw/zinc/44/53/94/964445394.db2.gz LVTIPVOBGIUWND-JTQLQIEISA-N 1 3 222.336 1.758 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+]CC[C@H](C)N(C)C)C12CCC2 ZINC000697824311 964537608 /nfs/dbraw/zinc/53/76/08/964537608.db2.gz BQYQKKRVHQIBOP-RWMBFGLXSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H](N)c1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168360642 964575229 /nfs/dbraw/zinc/57/52/29/964575229.db2.gz UVQJHVNRTAGXPP-LLVKDONJSA-N 1 3 248.374 1.950 20 0 BDADHO NCc1cn(-c2cccc3c2CC[C@H]3[NH3+])cn1 ZINC001162304796 964921614 /nfs/dbraw/zinc/92/16/14/964921614.db2.gz SJXYYIJKUXXPNL-GFCCVEGCSA-N 1 3 228.299 1.277 20 0 BDADHO C1=C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000698205080 965105888 /nfs/dbraw/zinc/10/58/88/965105888.db2.gz NMYDZAAWFJFNCH-YNEHKIRRSA-N 1 3 206.333 1.921 20 0 BDADHO C1=C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000698205080 965105893 /nfs/dbraw/zinc/10/58/93/965105893.db2.gz NMYDZAAWFJFNCH-YNEHKIRRSA-N 1 3 206.333 1.921 20 0 BDADHO Cc1nc2ccc(N[C@@H]3COC[C@@H]3[NH3+])cc2[nH]1 ZINC001162920938 965209601 /nfs/dbraw/zinc/20/96/01/965209601.db2.gz GACPRKORYFJIBM-JOYOIKCWSA-N 1 3 232.287 1.009 20 0 BDADHO C[C@H]([NH3+])c1ccc(N[C@H]2CN3CCC2CC3)cn1 ZINC001163394477 965395042 /nfs/dbraw/zinc/39/50/42/965395042.db2.gz FRGZRGNGGKLMJM-HZMBPMFUSA-N 1 3 246.358 1.607 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc3c(c2)CCN3)CC1 ZINC001205117784 965872198 /nfs/dbraw/zinc/87/21/98/965872198.db2.gz VGMVNBUKKHBPFO-CQSZACIVSA-N 1 3 245.370 1.968 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])CN1c1cccc(N)n1 ZINC001164460899 965893415 /nfs/dbraw/zinc/89/34/15/965893415.db2.gz FZVSWUDKRTYJHR-UWVGGRQHSA-N 1 3 220.320 1.227 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2COC[C@H]2CC)C1 ZINC000699485282 965912623 /nfs/dbraw/zinc/91/26/23/965912623.db2.gz OEBKMRWOZVLXID-MCIONIFRSA-N 1 3 240.391 1.733 20 0 BDADHO COC1CCC(CN2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235976832 966193683 /nfs/dbraw/zinc/19/36/83/966193683.db2.gz CCNWZIROQHIWGS-YIOUJQMASA-N 1 3 238.375 1.615 20 0 BDADHO CCc1[nH]ncc1CN1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001237655993 966688034 /nfs/dbraw/zinc/68/80/34/966688034.db2.gz SGBJVXIHHFRZKL-BETUJISGSA-N 1 3 248.374 1.356 20 0 BDADHO CCc1[nH]ncc1CN1C[C@@H]2C[N@@H+](CC)C[C@@H]2C1 ZINC001237655993 966688048 /nfs/dbraw/zinc/68/80/48/966688048.db2.gz SGBJVXIHHFRZKL-BETUJISGSA-N 1 3 248.374 1.356 20 0 BDADHO CC(=O)OC(C)(C)CCC[N@@H+]1CCCNCC1 ZINC001204654888 967117684 /nfs/dbraw/zinc/11/76/84/967117684.db2.gz AMYSWPIEWYIANX-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO CC(=O)OC(C)(C)CCC[N@H+]1CCCNCC1 ZINC001204654888 967117692 /nfs/dbraw/zinc/11/76/92/967117692.db2.gz AMYSWPIEWYIANX-UHFFFAOYSA-N 1 3 242.363 1.404 20 0 BDADHO Cc1ccc(O)cc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205150368 967397291 /nfs/dbraw/zinc/39/72/91/967397291.db2.gz ALHLSXSHVJVQMQ-WCQYABFASA-N 1 3 234.343 1.727 20 0 BDADHO [NH3+]C[C@]1(F)CCCN(Cc2cnoc2)CC1 ZINC001205545500 967693201 /nfs/dbraw/zinc/69/32/01/967693201.db2.gz IEZMRSAEURCNMW-NSHDSACASA-N 1 3 227.283 1.328 20 0 BDADHO CCCN(CCC[NH+](C)C)C[C@@H](C)OC ZINC001205697036 967784044 /nfs/dbraw/zinc/78/40/44/967784044.db2.gz RTVQFBRNZPQXAH-GFCCVEGCSA-N 1 3 216.369 1.685 20 0 BDADHO CCc1[nH]ncc1CN1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205855616 967856089 /nfs/dbraw/zinc/85/60/89/967856089.db2.gz OJBXYPQMRNNKKP-PWSUYJOCSA-N 1 3 236.363 1.531 20 0 BDADHO Cc1c2[nH]cnc2ccc1NOCC[NH3+] ZINC001164429824 968233404 /nfs/dbraw/zinc/23/34/04/968233404.db2.gz SARISDCJONKQRI-UHFFFAOYSA-N 1 3 206.249 1.174 20 0 BDADHO Cc1cc(C)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206464772 968323599 /nfs/dbraw/zinc/32/35/99/968323599.db2.gz SJHHEYAYJYAXBF-DZGCQCFKSA-N 1 3 248.370 1.363 20 0 BDADHO CCC(CC)[NH+]1CCC(NC[C@H](O)CC)CC1 ZINC001251814037 968348453 /nfs/dbraw/zinc/34/84/53/968348453.db2.gz LPXHGOLXVJBVIF-CQSZACIVSA-N 1 3 242.407 2.000 20 0 BDADHO Cc1ncc(CN2CCCC[C@](C)(C[NH3+])C2)[nH]1 ZINC001206564941 968387916 /nfs/dbraw/zinc/38/79/16/968387916.db2.gz RXASDUHFOHWJEQ-CYBMUJFWSA-N 1 3 236.363 1.669 20 0 BDADHO Nc1ccncc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206615483 968419957 /nfs/dbraw/zinc/41/99/57/968419957.db2.gz FODGPISLKLNMGH-NSHDSACASA-N 1 3 234.347 1.055 20 0 BDADHO C[NH+]1CCC(CCN2C[C@H](F)C[C@H]2CO)CC1 ZINC001207479411 968795419 /nfs/dbraw/zinc/79/54/19/968795419.db2.gz IILJHAAICOZAMP-OLZOCXBDSA-N 1 3 244.354 1.123 20 0 BDADHO COC1CC(C[NH2+]C[C@H]2CN3CCC2CC3)C1 ZINC001207724293 968867639 /nfs/dbraw/zinc/86/76/39/968867639.db2.gz WCBKOCFHQUOZEW-QRMWWUJWSA-N 1 3 238.375 1.343 20 0 BDADHO CN(C)CCN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001208126964 969021518 /nfs/dbraw/zinc/02/15/18/969021518.db2.gz NMVBRKZULMEGKC-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO CC[NH+]1CCC(CN2CCOCC2(C)C)CC1 ZINC001208599415 969145761 /nfs/dbraw/zinc/14/57/61/969145761.db2.gz HEMKSOVEAPZULU-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CC[NH+]1CCC(CN(C)CCF)CC1 ZINC001208604331 969146963 /nfs/dbraw/zinc/14/69/63/969146963.db2.gz LXUCDNJAADGQJL-UHFFFAOYSA-N 1 3 202.317 1.620 20 0 BDADHO CC[NH+]1CCC(CN2CC(C(F)F)C2)CC1 ZINC001208604785 969156373 /nfs/dbraw/zinc/15/63/73/969156373.db2.gz VLSNLENMPPLUPA-UHFFFAOYSA-N 1 3 232.318 1.915 20 0 BDADHO CN1CCC[C@H](C[NH+]2CCC3(COC3)CC2)C1 ZINC001208605103 969156400 /nfs/dbraw/zinc/15/64/00/969156400.db2.gz YTWVIPKNJYZIDS-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2CCC3(COC3)CC2)C1 ZINC001208605103 969156405 /nfs/dbraw/zinc/15/64/05/969156405.db2.gz YTWVIPKNJYZIDS-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO C[N@H+]1CCC[C@H](CN2CCC3(COC3)CC2)C1 ZINC001208605103 969156408 /nfs/dbraw/zinc/15/64/08/969156408.db2.gz YTWVIPKNJYZIDS-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CC(C)(C)C1 ZINC001253407157 969163674 /nfs/dbraw/zinc/16/36/74/969163674.db2.gz FMTXMYVCSOSJLK-NSHDSACASA-N 1 3 228.380 1.514 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ncccn1)C2 ZINC001169100464 969393546 /nfs/dbraw/zinc/39/35/46/969393546.db2.gz JJUOIQOCARQMRA-XYYAHUGASA-N 1 3 246.358 1.234 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCSCC1)C2 ZINC001169129133 969436133 /nfs/dbraw/zinc/43/61/33/969436133.db2.gz GYVFDRNNNNLVKZ-ZSBIGDGJSA-N 1 3 226.389 1.660 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN3CC[C@H]3C1)C2 ZINC001169161973 969479803 /nfs/dbraw/zinc/47/98/03/969479803.db2.gz QZNBGRHYBZGGGW-CRWXNKLISA-N 1 3 235.375 1.002 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCN3CC[C@H]3C1)C2 ZINC001169161973 969479818 /nfs/dbraw/zinc/47/98/18/969479818.db2.gz QZNBGRHYBZGGGW-CRWXNKLISA-N 1 3 235.375 1.002 20 0 BDADHO CC[NH+]1CCC(N2CCC[C@]3(CCO3)C2)CC1 ZINC001169264545 969519512 /nfs/dbraw/zinc/51/95/12/969519512.db2.gz HPIQVMCFRUHXKJ-AWEZNQCLSA-N 1 3 238.375 1.726 20 0 BDADHO CCCO[C@H]1CCN(C2CC[NH+](CC)CC2)C1 ZINC001169258939 969543947 /nfs/dbraw/zinc/54/39/47/969543947.db2.gz VJEDMGCJKHSYSU-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CCN1CCN(C2CC[NH+](CC)CC2)[C@H](C)C1 ZINC001169268602 969553721 /nfs/dbraw/zinc/55/37/21/969553721.db2.gz MOAXFGHTEQPFQQ-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO Cc1ccc(CN2CCC3(C[NH+](C)C3)CC2)[nH]1 ZINC001209579201 969560964 /nfs/dbraw/zinc/56/09/64/969560964.db2.gz UTVVFVCUEVFPHL-UHFFFAOYSA-N 1 3 233.359 1.851 20 0 BDADHO CC[N@H+](Cc1cnccc1N)C1CCN(C)CC1 ZINC001209734022 969599854 /nfs/dbraw/zinc/59/98/54/969599854.db2.gz KRSNUKOTQJOZNR-UHFFFAOYSA-N 1 3 248.374 1.410 20 0 BDADHO CC[N@@H+](Cc1cnccc1N)C1CCN(C)CC1 ZINC001209734022 969599859 /nfs/dbraw/zinc/59/98/59/969599859.db2.gz KRSNUKOTQJOZNR-UHFFFAOYSA-N 1 3 248.374 1.410 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254386976 969604257 /nfs/dbraw/zinc/60/42/57/969604257.db2.gz WGOORRSKAJGELJ-LBPRGKRZSA-N 1 3 224.348 1.193 20 0 BDADHO C[N@@H+]1CCC[C@@H](NCCOc2cccnc2)CC1 ZINC001254502601 969668614 /nfs/dbraw/zinc/66/86/14/969668614.db2.gz GYZKGRZGSCQRKZ-CYBMUJFWSA-N 1 3 249.358 1.534 20 0 BDADHO C[N@H+]1CCC[C@@H](NCCOc2cccnc2)CC1 ZINC001254502601 969668621 /nfs/dbraw/zinc/66/86/21/969668621.db2.gz GYZKGRZGSCQRKZ-CYBMUJFWSA-N 1 3 249.358 1.534 20 0 BDADHO COC(C)(C[NH2+][C@H]1CCCN(C)CC1)OC ZINC001254509084 969678131 /nfs/dbraw/zinc/67/81/31/969678131.db2.gz VRSKHHHIOQILTI-NSHDSACASA-N 1 3 230.352 1.069 20 0 BDADHO CN1CCC[C@H]([N@H+](C)Cc2ccncc2)CC1 ZINC001254515740 969691194 /nfs/dbraw/zinc/69/11/94/969691194.db2.gz BWZQXTCVKXHFBT-AWEZNQCLSA-N 1 3 233.359 1.998 20 0 BDADHO CN1CCC[C@H]([N@@H+](C)Cc2ccncc2)CC1 ZINC001254515740 969691198 /nfs/dbraw/zinc/69/11/98/969691198.db2.gz BWZQXTCVKXHFBT-AWEZNQCLSA-N 1 3 233.359 1.998 20 0 BDADHO C[C@H]1C[N@H+](Cc2cncc([O-])c2)CCC[C@@H]1C[NH3+] ZINC001206012763 969737954 /nfs/dbraw/zinc/73/79/54/969737954.db2.gz NPTUJSVRDKUWAF-WCQYABFASA-N 1 3 249.358 1.594 20 0 BDADHO C[C@H]1C[N@@H+](Cc2cncc([O-])c2)CCC[C@@H]1C[NH3+] ZINC001206012763 969737960 /nfs/dbraw/zinc/73/79/60/969737960.db2.gz NPTUJSVRDKUWAF-WCQYABFASA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H](N)c1nccn1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832953 969796224 /nfs/dbraw/zinc/79/62/24/969796224.db2.gz KWRHMTXZONCQAJ-ZYHUDNBSSA-N 1 3 234.347 1.560 20 0 BDADHO CN1CC[C@@H](C[NH2+][C@H]2CC3CCN(CC3)C2)C1 ZINC001254836489 969799217 /nfs/dbraw/zinc/79/92/17/969799217.db2.gz LZWWNUQSCAKIOB-KBPBESRZSA-N 1 3 237.391 1.012 20 0 BDADHO CC(C)(CN)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001255098839 969934871 /nfs/dbraw/zinc/93/48/71/969934871.db2.gz HCWFBWZJYBHCAH-AWEZNQCLSA-N 1 3 247.386 1.588 20 0 BDADHO C[NH2+]CCNc1cc2[nH]ccc2c(C)n1 ZINC001156893342 970023892 /nfs/dbraw/zinc/02/38/92/970023892.db2.gz DMQQMKJXHSEADI-UHFFFAOYSA-N 1 3 204.277 1.503 20 0 BDADHO COC[C@H](C)NC1CC[NH+](CC2CCC2)CC1 ZINC001255562621 970346972 /nfs/dbraw/zinc/34/69/72/970346972.db2.gz DUNAMKWFZQJNRD-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO Nc1nc2ccc(C3=CC[NH2+]C3)cc2[nH]1 ZINC001243112252 970358981 /nfs/dbraw/zinc/35/89/81/970358981.db2.gz RYQZJGNLWBNZSC-UHFFFAOYSA-N 1 3 200.245 1.132 20 0 BDADHO Nc1nc2cc(C3=CC[NH2+]C3)ccc2[nH]1 ZINC001243112252 970358995 /nfs/dbraw/zinc/35/89/95/970358995.db2.gz RYQZJGNLWBNZSC-UHFFFAOYSA-N 1 3 200.245 1.132 20 0 BDADHO NCc1ccc(NC2CC[NH+](C3CC3)CC2)cn1 ZINC001256071484 970637489 /nfs/dbraw/zinc/63/74/89/970637489.db2.gz ZWLIDKWIZPFJND-UHFFFAOYSA-N 1 3 246.358 1.579 20 0 BDADHO CN1CC(CNc2ccc(C3([NH3+])CC3)cc2)C1 ZINC001170253800 970663206 /nfs/dbraw/zinc/66/32/06/970663206.db2.gz CKSVVUDDBIWRPA-UHFFFAOYSA-N 1 3 231.343 1.608 20 0 BDADHO CN(C1CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001256210299 970717242 /nfs/dbraw/zinc/71/72/42/970717242.db2.gz GTQASEQHYDQLEV-AWEZNQCLSA-N 1 3 237.391 1.249 20 0 BDADHO CN(C1CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001256210299 970717250 /nfs/dbraw/zinc/71/72/50/970717250.db2.gz GTQASEQHYDQLEV-AWEZNQCLSA-N 1 3 237.391 1.249 20 0 BDADHO [NH3+][C@@H]1CCCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550973 972721281 /nfs/dbraw/zinc/72/12/81/972721281.db2.gz ZNIUGIKXECLFAR-XQHKEYJVSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550973 972721290 /nfs/dbraw/zinc/72/12/90/972721290.db2.gz ZNIUGIKXECLFAR-XQHKEYJVSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001246550973 972721301 /nfs/dbraw/zinc/72/13/01/972721301.db2.gz ZNIUGIKXECLFAR-XQHKEYJVSA-N 1 3 236.359 1.557 20 0 BDADHO CCC[C@@H](C)CC[C@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246561538 972792817 /nfs/dbraw/zinc/79/28/17/972792817.db2.gz VPRROJAWHZFXBC-XJFOESAGSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561538 972792826 /nfs/dbraw/zinc/79/28/26/972792826.db2.gz VPRROJAWHZFXBC-XJFOESAGSA-N 1 3 242.407 1.985 20 0 BDADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246561538 972792831 /nfs/dbraw/zinc/79/28/31/972792831.db2.gz VPRROJAWHZFXBC-XJFOESAGSA-N 1 3 242.407 1.985 20 0 BDADHO CC[C@H](Cc1ccccc1)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246574840 972870224 /nfs/dbraw/zinc/87/02/24/972870224.db2.gz BXMXIIGFXJPUJO-RRFJBIMHSA-N 1 3 248.370 1.259 20 0 BDADHO CC[C@H](Cc1ccccc1)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246574840 972870228 /nfs/dbraw/zinc/87/02/28/972870228.db2.gz BXMXIIGFXJPUJO-RRFJBIMHSA-N 1 3 248.370 1.259 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCCC[C@H](CN)C2)CCO1 ZINC001246584223 972955406 /nfs/dbraw/zinc/95/54/06/972955406.db2.gz TWZWUSTYZDPACN-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCCC[C@H](CN)C2)CCO1 ZINC001246584223 972955415 /nfs/dbraw/zinc/95/54/15/972955415.db2.gz TWZWUSTYZDPACN-YNEHKIRRSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H]1CCC[C@@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637725 973055690 /nfs/dbraw/zinc/05/56/90/973055690.db2.gz JAMYRKQKNUTUBY-FDYHWXHSSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171412439 974023831 /nfs/dbraw/zinc/02/38/31/974023831.db2.gz WZMMNFUYTIONEP-JQWIXIFHSA-N 1 3 236.334 1.867 20 0 BDADHO C[C@H](CCO)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619494 974113062 /nfs/dbraw/zinc/11/30/62/974113062.db2.gz MTJWVRYBTMOHJW-LLVKDONJSA-N 1 3 242.407 1.998 20 0 BDADHO CN([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123972 974392840 /nfs/dbraw/zinc/39/28/40/974392840.db2.gz ICPZAIXQDJWIEH-RQJABVFESA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@@H]1CCOC1)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123972 974392850 /nfs/dbraw/zinc/39/28/50/974392850.db2.gz ICPZAIXQDJWIEH-RQJABVFESA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1CSc2ccccc2C1 ZINC001172199450 974482700 /nfs/dbraw/zinc/48/27/00/974482700.db2.gz FHLFOHIOWHBILN-JQWIXIFHSA-N 1 3 236.384 1.888 20 0 BDADHO Cc1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)[nH]1 ZINC001206164170 974631494 /nfs/dbraw/zinc/63/14/94/974631494.db2.gz JHTQULWHKBUDCZ-NWDGAFQWSA-N 1 3 225.311 1.584 20 0 BDADHO Cc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)[nH]1 ZINC001206164170 974631500 /nfs/dbraw/zinc/63/15/00/974631500.db2.gz JHTQULWHKBUDCZ-NWDGAFQWSA-N 1 3 225.311 1.584 20 0 BDADHO C[N@@H+]1CC[C@H](NCCc2cnccn2)CC1(C)C ZINC001331693704 974794096 /nfs/dbraw/zinc/79/40/96/974794096.db2.gz VTJHELXKYWEBLK-LBPRGKRZSA-N 1 3 248.374 1.482 20 0 BDADHO C[N@H+]1CC[C@H](NCCc2cnccn2)CC1(C)C ZINC001331693704 974794098 /nfs/dbraw/zinc/79/40/98/974794098.db2.gz VTJHELXKYWEBLK-LBPRGKRZSA-N 1 3 248.374 1.482 20 0 BDADHO CC(C)OCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001172439520 974795650 /nfs/dbraw/zinc/79/56/50/974795650.db2.gz FEYGSTPYWSIBRY-GHMZBOCLSA-N 1 3 202.342 1.374 20 0 BDADHO Cc1ncccc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206167040 974883952 /nfs/dbraw/zinc/88/39/52/974883952.db2.gz WGPQJIXMRGWHRQ-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ncccc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206167040 974883953 /nfs/dbraw/zinc/88/39/53/974883953.db2.gz WGPQJIXMRGWHRQ-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO COC(=O)[C@@H]1CCC[C@H](NC(C)(C)C[NH3+])C1 ZINC001172584987 974889886 /nfs/dbraw/zinc/88/98/86/974889886.db2.gz DCHRDWMIUZPGFA-ZJUUUORDSA-N 1 3 228.336 1.045 20 0 BDADHO CC(C)([NH3+])CCNC(=O)c1ccc2c(c1)CNC2 ZINC001332055940 974935417 /nfs/dbraw/zinc/93/54/17/974935417.db2.gz YFYWNKQBJDSODU-UHFFFAOYSA-N 1 3 247.342 1.147 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)c2nc(CN)ccc2C)C1 ZINC001173347876 975287453 /nfs/dbraw/zinc/28/74/53/975287453.db2.gz HUJLPBHTJQTHJA-CYBMUJFWSA-N 1 3 248.374 1.379 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)c2nc(CN)ccc2C)C1 ZINC001173347876 975287461 /nfs/dbraw/zinc/28/74/61/975287461.db2.gz HUJLPBHTJQTHJA-CYBMUJFWSA-N 1 3 248.374 1.379 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)c2nc(CN)ccc2C)C1 ZINC001173347877 975288857 /nfs/dbraw/zinc/28/88/57/975288857.db2.gz HUJLPBHTJQTHJA-ZDUSSCGKSA-N 1 3 248.374 1.379 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)c2nc(CN)ccc2C)C1 ZINC001173347877 975288864 /nfs/dbraw/zinc/28/88/64/975288864.db2.gz HUJLPBHTJQTHJA-ZDUSSCGKSA-N 1 3 248.374 1.379 20 0 BDADHO CC[N@@H+]1CC[C@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC001173375249 975362696 /nfs/dbraw/zinc/36/26/96/975362696.db2.gz SBGWHYAAAZAXLF-KBPBESRZSA-N 1 3 239.407 1.495 20 0 BDADHO CC[N@H+]1CC[C@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC001173375249 975362701 /nfs/dbraw/zinc/36/27/01/975362701.db2.gz SBGWHYAAAZAXLF-KBPBESRZSA-N 1 3 239.407 1.495 20 0 BDADHO COC(=O)CCCC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001173444550 975386877 /nfs/dbraw/zinc/38/68/77/975386877.db2.gz KLAKAHNNFNSBNP-RYUDHWBXSA-N 1 3 244.379 1.635 20 0 BDADHO COC(=O)CCCC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001173444550 975386888 /nfs/dbraw/zinc/38/68/88/975386888.db2.gz KLAKAHNNFNSBNP-RYUDHWBXSA-N 1 3 244.379 1.635 20 0 BDADHO C[C@H]([NH2+]CCCN1CCCC1)C(C)(C)CO ZINC001333555828 975847514 /nfs/dbraw/zinc/84/75/14/975847514.db2.gz ROZXEHXOYLVPTB-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CN(C)Cc1ccccc1O[C@H]1CC[N@H+](C)C1 ZINC001229700090 976956179 /nfs/dbraw/zinc/95/61/79/976956179.db2.gz VTINNBTVBGVRBN-ZDUSSCGKSA-N 1 3 234.343 1.831 20 0 BDADHO CN(C)Cc1ccccc1O[C@H]1CC[N@@H+](C)C1 ZINC001229700090 976956191 /nfs/dbraw/zinc/95/61/91/976956191.db2.gz VTINNBTVBGVRBN-ZDUSSCGKSA-N 1 3 234.343 1.831 20 0 BDADHO CN(CC[NH+](C)C)Cc1cc2c[nH]ccc-2n1 ZINC001232012111 977841371 /nfs/dbraw/zinc/84/13/71/977841371.db2.gz SQFXNEGXXSBMBO-UHFFFAOYSA-N 1 3 232.331 1.556 20 0 BDADHO C[C@]1(C[NH3+])CCCN(Cc2cc[nH]n2)CC1 ZINC001206292846 978288259 /nfs/dbraw/zinc/28/82/59/978288259.db2.gz DRSQNZXNHHGXKF-LBPRGKRZSA-N 1 3 222.336 1.361 20 0 BDADHO C[C@H]1CN(c2cc[nH+]cc2)[C@@H](C)CN1C ZINC001337708081 978466866 /nfs/dbraw/zinc/46/68/66/978466866.db2.gz CQXWDCDAUDBOMP-QWRGUYRKSA-N 1 3 205.305 1.610 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccnc(CO)c3)[C@H]2C1 ZINC001338296291 978656053 /nfs/dbraw/zinc/65/60/53/978656053.db2.gz HNFMDFSAESNLBX-LEWSCRJBSA-N 1 3 247.342 1.326 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@@H](Nc3ccnc(CO)c3)[C@H]2C1 ZINC001338296291 978656058 /nfs/dbraw/zinc/65/60/58/978656058.db2.gz HNFMDFSAESNLBX-LEWSCRJBSA-N 1 3 247.342 1.326 20 0 BDADHO CCC[C@@H](C)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052539 978963498 /nfs/dbraw/zinc/96/34/98/978963498.db2.gz GXWNHYMCXGNJIR-OLZOCXBDSA-N 1 3 225.380 1.060 20 0 BDADHO OCCCCC[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235400444 979035832 /nfs/dbraw/zinc/03/58/32/979035832.db2.gz CZEYOMUXEVVLRL-STQMWFEESA-N 1 3 244.354 1.173 20 0 BDADHO OCCCCC[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235400444 979035836 /nfs/dbraw/zinc/03/58/36/979035836.db2.gz CZEYOMUXEVVLRL-STQMWFEESA-N 1 3 244.354 1.173 20 0 BDADHO OCCCCCN1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235400444 979035843 /nfs/dbraw/zinc/03/58/43/979035843.db2.gz CZEYOMUXEVVLRL-STQMWFEESA-N 1 3 244.354 1.173 20 0 BDADHO C[C@@H](CC[N@@H+]1C[C@@H](O)[C@@H](CN)C1)CC(C)(C)C ZINC001206454371 979119830 /nfs/dbraw/zinc/11/98/30/979119830.db2.gz DKNSNPCGUNRRFR-RWMBFGLXSA-N 1 3 242.407 1.700 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](CCCc1cccnc1)C2 ZINC001235977273 979239518 /nfs/dbraw/zinc/23/95/18/979239518.db2.gz FZRVTKFCGOSMNG-KBPBESRZSA-N 1 3 231.343 1.437 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](CCCc1cccnc1)C2 ZINC001235977273 979239529 /nfs/dbraw/zinc/23/95/29/979239529.db2.gz FZRVTKFCGOSMNG-KBPBESRZSA-N 1 3 231.343 1.437 20 0 BDADHO [NH3+][C@@]12CC[C@H]1CN(CCC1CCCC1)C2 ZINC001235980940 979243670 /nfs/dbraw/zinc/24/36/70/979243670.db2.gz SKCRGWXIKKIMHC-QWHCGFSZSA-N 1 3 208.349 1.990 20 0 BDADHO N[C@@]12CC[C@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996672 979292118 /nfs/dbraw/zinc/29/21/18/979292118.db2.gz YNJVMYRILMWBER-SMDDNHRTSA-N 1 3 242.326 1.486 20 0 BDADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996672 979292132 /nfs/dbraw/zinc/29/21/32/979292132.db2.gz YNJVMYRILMWBER-SMDDNHRTSA-N 1 3 242.326 1.486 20 0 BDADHO [NH3+][C@]12C[C@H]1CN(C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001236014168 979302162 /nfs/dbraw/zinc/30/21/62/979302162.db2.gz GJJMDJYARLCQHO-QWQWKMKNSA-N 1 3 204.317 1.232 20 0 BDADHO C[C@H](N)C[N@H+](C)CC/C=C/c1cccnc1 ZINC001236100982 979389731 /nfs/dbraw/zinc/38/97/31/979389731.db2.gz LGFXPTJXAWUOHS-UXONFWTHSA-N 1 3 219.332 1.764 20 0 BDADHO C[C@H](N)C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001236100982 979389739 /nfs/dbraw/zinc/38/97/39/979389739.db2.gz LGFXPTJXAWUOHS-UXONFWTHSA-N 1 3 219.332 1.764 20 0 BDADHO CC[NH2+][C@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001341622559 979493247 /nfs/dbraw/zinc/49/32/47/979493247.db2.gz KIFKFNWDPLEPMG-SECBINFHSA-N 1 3 233.315 1.226 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC001342124517 979670048 /nfs/dbraw/zinc/67/00/48/979670048.db2.gz JXOHXGJJUHUQEZ-JQWIXIFHSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001342161761 979684034 /nfs/dbraw/zinc/68/40/34/979684034.db2.gz YRGQPECMSUKHGD-QCNOEVLYSA-N 1 3 241.379 1.088 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C3CC(C(F)F)C3)[C@@H]2C1 ZINC001184389152 980062626 /nfs/dbraw/zinc/06/26/26/980062626.db2.gz VIHOCNCPJBEKFK-HHTLKZDDSA-N 1 3 244.329 1.960 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023403 /nfs/dbraw/zinc/02/34/03/981023403.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 1 3 214.353 1.029 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023407 /nfs/dbraw/zinc/02/34/07/981023407.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023414 /nfs/dbraw/zinc/02/34/14/981023414.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 1 3 214.353 1.029 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H](C)[C@H](C)O)C1 ZINC001191391032 981023422 /nfs/dbraw/zinc/02/34/22/981023422.db2.gz UCDCSBCSRFSZNJ-WOPDTQHZSA-N 1 3 214.353 1.029 20 0 BDADHO OC[C@H](CC1CCCC1)NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC001580882214 981685744 /nfs/dbraw/zinc/68/57/44/981685744.db2.gz OZPOISXAJDTVQI-RDBSUJKOSA-N 1 3 238.375 1.127 20 0 BDADHO Cc1cccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1 ZINC001205662939 981766465 /nfs/dbraw/zinc/76/64/65/981766465.db2.gz FZOWBJRQZDUROU-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1cccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c1 ZINC001205662939 981766480 /nfs/dbraw/zinc/76/64/80/981766480.db2.gz FZOWBJRQZDUROU-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO Cc1cccc(CN2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205662939 981766511 /nfs/dbraw/zinc/76/65/11/981766511.db2.gz FZOWBJRQZDUROU-OAHLLOKOSA-N 1 3 248.370 1.671 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC001350954664 982133444 /nfs/dbraw/zinc/13/34/44/982133444.db2.gz DUOOWTDSXHDDNR-NDBYEHHHSA-N 1 3 238.375 1.389 20 0 BDADHO CC[N@@H+]1CCO[C@@H]2CN(CC(C)(C)C)C[C@@H]2C1 ZINC001201434931 983240052 /nfs/dbraw/zinc/24/00/52/983240052.db2.gz FDGGBDZTZXABDT-QWHCGFSZSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@H+]1CCO[C@@H]2CN(CC(C)(C)C)C[C@@H]2C1 ZINC001201434931 983240063 /nfs/dbraw/zinc/24/00/63/983240063.db2.gz FDGGBDZTZXABDT-QWHCGFSZSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@@H](CNc1cc(N)ncc1Cl)C[NH+](C)C ZINC001355283665 983462337 /nfs/dbraw/zinc/46/23/37/983462337.db2.gz LBIWPMVJTPWAGV-QMMMGPOBSA-N 1 3 242.754 1.927 20 0 BDADHO CN(C)CC[NH+](CCN(C)C)CC1CCCC1 ZINC001202166344 983580457 /nfs/dbraw/zinc/58/04/57/983580457.db2.gz AYRVQLVLUKRQFP-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO CCOCCC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925489162 983786368 /nfs/dbraw/zinc/78/63/68/983786368.db2.gz OYRDMPRSMRSEKN-AGIUHOORSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H](N)C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001357990414 983811928 /nfs/dbraw/zinc/81/19/28/983811928.db2.gz IWRRQTPOJBJRPF-CMPLNLGQSA-N 1 3 247.342 1.203 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC001575470419 984126679 /nfs/dbraw/zinc/12/66/79/984126679.db2.gz AAOOBKZMNKPUCF-VWYCJHECSA-N 1 3 214.353 1.109 20 0 BDADHO C[C@H]1CN(Cc2cc[nH]n2)CCC[C@H]1C[NH3+] ZINC001205981837 984187170 /nfs/dbraw/zinc/18/71/70/984187170.db2.gz HSENSZPMEIQUOW-QWRGUYRKSA-N 1 3 222.336 1.217 20 0 BDADHO CCOC(=O)[C@@H](C)[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001577908255 984200540 /nfs/dbraw/zinc/20/05/40/984200540.db2.gz DTTXFFXSSREBTE-QJPTWQEYSA-N 1 3 242.363 1.163 20 0 BDADHO CCO[C@H]1C[C@H](N[C@H](C)C[C@H]2CCC[NH2+]2)C1 ZINC001578160952 984205288 /nfs/dbraw/zinc/20/52/88/984205288.db2.gz FUDWLTYATCNLPZ-FDYHWXHSSA-N 1 3 226.364 1.674 20 0 BDADHO CCN1CCC[C@H](N[C@H]2C[NH2+]CC2(C)C)C1 ZINC001577771078 984771968 /nfs/dbraw/zinc/77/19/68/984771968.db2.gz RLMXAONJPZUEKK-RYUDHWBXSA-N 1 3 225.380 1.058 20 0 BDADHO Cn1ccnc1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276229258 984831917 /nfs/dbraw/zinc/83/19/17/984831917.db2.gz KMSQSTVLLURHCA-BETUJISGSA-N 1 3 248.374 1.194 20 0 BDADHO Cn1ccnc1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276229258 984831920 /nfs/dbraw/zinc/83/19/20/984831920.db2.gz KMSQSTVLLURHCA-BETUJISGSA-N 1 3 248.374 1.194 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2)C12CCC2 ZINC001578093311 984846011 /nfs/dbraw/zinc/84/60/11/984846011.db2.gz HDSMTMLGRSTAET-GRYCIOLGSA-N 1 3 224.348 1.286 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](NC(C)(C)C[NH3+])C1 ZINC001257034656 984847378 /nfs/dbraw/zinc/84/73/78/984847378.db2.gz XSBCYLKHYPCFGZ-ZJUUUORDSA-N 1 3 228.336 1.045 20 0 BDADHO CCOCOc1ccc(CNCCC[NH3+])cc1 ZINC001578121847 984854358 /nfs/dbraw/zinc/85/43/58/984854358.db2.gz GLDQGIVUZDOYTI-UHFFFAOYSA-N 1 3 238.331 1.498 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CC[NH2+]C2)[C@@H]1SC ZINC001578159276 984863493 /nfs/dbraw/zinc/86/34/93/984863493.db2.gz XQOLERFBIRPDQT-KKOKHZNYSA-N 1 3 244.404 1.095 20 0 BDADHO CC[C@@H](O)CN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC001578226179 984878269 /nfs/dbraw/zinc/87/82/69/984878269.db2.gz WFIIEEJOEHFGLW-FIQHERPVSA-N 1 3 214.353 1.205 20 0 BDADHO CCc1cccc(C[NH2+][C@H]2CCNC[C@H]2O)c1 ZINC001578267011 984914407 /nfs/dbraw/zinc/91/44/07/984914407.db2.gz YZAHQGHKRQPEAQ-UONOGXRCSA-N 1 3 234.343 1.061 20 0 BDADHO CCn1ccnc1[C@H](C)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001578357141 985000331 /nfs/dbraw/zinc/00/03/31/985000331.db2.gz NUVNGOCNXAJVGL-URAGZPLESA-N 1 3 234.347 1.433 20 0 BDADHO CN(CCN1CCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC001578471683 985105633 /nfs/dbraw/zinc/10/56/33/985105633.db2.gz HBGVYKZROFWUNI-OAHLLOKOSA-N 1 3 247.386 1.542 20 0 BDADHO CN(CCN(C)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC001578470165 985107080 /nfs/dbraw/zinc/10/70/80/985107080.db2.gz QXSWSEGYRLVAQW-HNNXBMFYSA-N 1 3 247.386 1.412 20 0 BDADHO CO[C@H]1CCC[N@H+](C[C@H](N)CC(F)F)CC1 ZINC000691984940 985109209 /nfs/dbraw/zinc/10/92/09/985109209.db2.gz HSVOUOHAPFBUJI-ZJUUUORDSA-N 1 3 236.306 1.470 20 0 BDADHO CO[C@H]1CCC[N@@H+](C[C@H](N)CC(F)F)CC1 ZINC000691984940 985109214 /nfs/dbraw/zinc/10/92/14/985109214.db2.gz HSVOUOHAPFBUJI-ZJUUUORDSA-N 1 3 236.306 1.470 20 0 BDADHO CN1CCCC[C@@H]1C[NH2+]C[C@H](N)CC(F)F ZINC001578528538 985159510 /nfs/dbraw/zinc/15/95/10/985159510.db2.gz IWDXJHKFAUDOIX-NXEZZACHSA-N 1 3 235.322 1.043 20 0 BDADHO C[NH2+]C[C@](C)(O)CN[C@@H]1Cc2ccccc2[C@@H]1C ZINC001578622691 985237849 /nfs/dbraw/zinc/23/78/49/985237849.db2.gz YKJQGNSJGNQABN-GLQYFDAESA-N 1 3 248.370 1.275 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC001578622691 985237860 /nfs/dbraw/zinc/23/78/60/985237860.db2.gz YKJQGNSJGNQABN-GLQYFDAESA-N 1 3 248.370 1.275 20 0 BDADHO C[NH2+]CCCN[C@@H](CC(=O)OC)C(C)(C)C ZINC001578691461 985298313 /nfs/dbraw/zinc/29/83/13/985298313.db2.gz PJCPONACMUQLAW-JTQLQIEISA-N 1 3 230.352 1.163 20 0 BDADHO C[NH2+]C[C@H](O)CN1CCC[C@H](CC(C)C)C1 ZINC001578653847 985274718 /nfs/dbraw/zinc/27/47/18/985274718.db2.gz FBKYTSHSFJFTEZ-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO COC1(CN2C[C@H]3C[NH2+]C[C@@]3(C)C2)CCC1 ZINC001578926044 985528088 /nfs/dbraw/zinc/52/80/88/985528088.db2.gz ARTYOCZVYBFAGM-NEPJUHHUSA-N 1 3 224.348 1.097 20 0 BDADHO CO[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935842 985531527 /nfs/dbraw/zinc/53/15/27/985531527.db2.gz LHACVNJMVCAWTD-YTWAJWBKSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000688053437 985544681 /nfs/dbraw/zinc/54/46/81/985544681.db2.gz NUJGDQGUDAVCPG-XQHKEYJVSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000688053437 985544694 /nfs/dbraw/zinc/54/46/94/985544694.db2.gz NUJGDQGUDAVCPG-XQHKEYJVSA-N 1 3 224.348 1.238 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578936460 985546347 /nfs/dbraw/zinc/54/63/47/985546347.db2.gz DIMCNVRSPQIPFT-YFKTTZPYSA-N 1 3 212.337 1.413 20 0 BDADHO CO[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938633 985549829 /nfs/dbraw/zinc/54/98/29/985549829.db2.gz UCEVGOPEUOTFJA-MROQNXINSA-N 1 3 224.348 1.095 20 0 BDADHO CO[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938633 985549842 /nfs/dbraw/zinc/54/98/42/985549842.db2.gz UCEVGOPEUOTFJA-MROQNXINSA-N 1 3 224.348 1.095 20 0 BDADHO COCC[C@H]([NH3+])CN[C@H](C)[C@@](C)(OC)C1CC1 ZINC001579001812 985655398 /nfs/dbraw/zinc/65/53/98/985655398.db2.gz LXXJJDAYVJPTCV-KGYLQXTDSA-N 1 3 244.379 1.143 20 0 BDADHO CSCC[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001579374953 985866510 /nfs/dbraw/zinc/86/65/10/985866510.db2.gz ZVIXDOYDHIEZOT-NWDGAFQWSA-N 1 3 228.405 1.800 20 0 BDADHO CSCC[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001579374953 985866514 /nfs/dbraw/zinc/86/65/14/985866514.db2.gz ZVIXDOYDHIEZOT-NWDGAFQWSA-N 1 3 228.405 1.800 20 0 BDADHO CCOC(=O)CC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001258472966 985940472 /nfs/dbraw/zinc/94/04/72/985940472.db2.gz HUGDJRZSIQVFJH-SDDRHHMPSA-N 1 3 242.363 1.578 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CC1(O)CCCC1 ZINC001579454587 985945097 /nfs/dbraw/zinc/94/50/97/985945097.db2.gz MUJVPJHZBGRZAJ-NEPJUHHUSA-N 1 3 226.364 1.079 20 0 BDADHO Cc1c[nH]c(CN2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC001579546875 986083735 /nfs/dbraw/zinc/08/37/35/986083735.db2.gz HFZUXKYWRFBGQI-MWLCHTKSSA-N 1 3 222.336 1.135 20 0 BDADHO Cc1ccc(NC(=O)[C@H]2C[C@H]2[NH3+])c(CN(C)C)c1 ZINC001579720156 986201035 /nfs/dbraw/zinc/20/10/35/986201035.db2.gz BNWJLHWGQZXWAW-NWDGAFQWSA-N 1 3 247.342 1.342 20 0 BDADHO Cc1cnn([C@H]2CCN(C[C@@H]3C[NH2+]C[C@H]3C)C2)c1 ZINC001579827607 986253415 /nfs/dbraw/zinc/25/34/15/986253415.db2.gz LRJPCLMACZCCGY-RDBSUJKOSA-N 1 3 248.374 1.294 20 0 BDADHO Cc1ncsc1CCCN1CC[C@H](C[NH3+])C1 ZINC001579888158 986305707 /nfs/dbraw/zinc/30/57/07/986305707.db2.gz QSWLWMVHAJPOQC-LLVKDONJSA-N 1 3 239.388 1.665 20 0 BDADHO NC1CC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC001580166585 986642487 /nfs/dbraw/zinc/64/24/87/986642487.db2.gz XNXBPYNJKCNXKK-WTIISPKJSA-N 1 3 224.348 1.128 20 0 BDADHO C[N@@H+]1CCC[C@@H](N2CC(N3CCCC3)C2)CC1 ZINC001254522000 986667305 /nfs/dbraw/zinc/66/73/05/986667305.db2.gz AQRNUKZYKXKWNC-CYBMUJFWSA-N 1 3 237.391 1.251 20 0 BDADHO C[N@H+]1CCC[C@@H](N2CC(N3CCCC3)C2)CC1 ZINC001254522000 986667319 /nfs/dbraw/zinc/66/73/19/986667319.db2.gz AQRNUKZYKXKWNC-CYBMUJFWSA-N 1 3 237.391 1.251 20 0 BDADHO [NH3+]C[C@H](NC[C@H](O)CCc1ccccc1)C1CC1 ZINC001580229910 986678912 /nfs/dbraw/zinc/67/89/12/986678912.db2.gz WQMORIMBQBEPCT-CABCVRRESA-N 1 3 248.370 1.307 20 0 BDADHO NCC1(C[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC001580243945 986694652 /nfs/dbraw/zinc/69/46/52/986694652.db2.gz NDYBTFGGXRHUHL-CQSZACIVSA-N 1 3 248.370 1.309 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC001580430792 986848427 /nfs/dbraw/zinc/84/84/27/986848427.db2.gz ZVBSIZKSABESJT-GUBZILKMSA-N 1 3 200.351 1.351 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)CF)CC1 ZINC001256566883 987233014 /nfs/dbraw/zinc/23/30/14/987233014.db2.gz OXLNBOYQVROHNP-LLVKDONJSA-N 1 3 232.343 1.169 20 0 BDADHO CO[C@H]1CC[N@@H+](C2CCN(C(C)(C)C)CC2)C1 ZINC001256569421 987233835 /nfs/dbraw/zinc/23/38/35/987233835.db2.gz FFKTWWDQBIFKOL-ZDUSSCGKSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@H]1CC[N@H+](C2CCN(C(C)(C)C)CC2)C1 ZINC001256569421 987233861 /nfs/dbraw/zinc/23/38/61/987233861.db2.gz FFKTWWDQBIFKOL-ZDUSSCGKSA-N 1 3 240.391 1.970 20 0 BDADHO CCC[C@H](O)CNC[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245974805 987253846 /nfs/dbraw/zinc/25/38/46/987253846.db2.gz NXIPJEWJWLMZML-TUAOUCFPSA-N 1 3 214.353 1.125 20 0 BDADHO CCCCC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245973898 987254524 /nfs/dbraw/zinc/25/45/24/987254524.db2.gz IXBVLVXLYUKUEY-LBPRGKRZSA-N 1 3 228.380 1.789 20 0 BDADHO CCCCC[C@H](O)CNCC1([NH3+])CCCC1 ZINC001245973898 987254531 /nfs/dbraw/zinc/25/45/31/987254531.db2.gz IXBVLVXLYUKUEY-LBPRGKRZSA-N 1 3 228.380 1.789 20 0 BDADHO C[C@@H]1C[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256677135 987261579 /nfs/dbraw/zinc/26/15/79/987261579.db2.gz KZFOJNQJMCXAEM-RYSNWHEDSA-N 1 3 238.375 1.628 20 0 BDADHO CCCCC[C@H](O)CNC[C@H]1C[NH2+]C[C@H](C)C1 ZINC001245988708 987274327 /nfs/dbraw/zinc/27/43/27/987274327.db2.gz FEZJZPHGIVMINI-MCIONIFRSA-N 1 3 242.407 1.763 20 0 BDADHO COc1cccc([C@@H](O)CNCC[C@H](C)[NH3+])c1 ZINC001246000594 987286321 /nfs/dbraw/zinc/28/63/21/987286321.db2.gz LLVYMRKMEJZZCS-GWCFXTLKSA-N 1 3 238.331 1.056 20 0 BDADHO CCCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246025344 987320810 /nfs/dbraw/zinc/32/08/10/987320810.db2.gz WWWSCXFZBIBQBA-KGLIPLIRSA-N 1 3 242.407 1.988 20 0 BDADHO CCCC[C@@H](O)C[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246025344 987320821 /nfs/dbraw/zinc/32/08/21/987320821.db2.gz WWWSCXFZBIBQBA-KGLIPLIRSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@@H]1CC[C@@H](NC2(C)CCOCC2)C[NH2+]1 ZINC001246080088 987371988 /nfs/dbraw/zinc/37/19/88/987371988.db2.gz DRHNUXINOKGUHE-GHMZBOCLSA-N 1 3 212.337 1.286 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCNC[C@H]1F ZINC001246080122 987373877 /nfs/dbraw/zinc/37/38/77/987373877.db2.gz DRJPCFJTWGECBJ-YNEHKIRRSA-N 1 3 245.386 1.396 20 0 BDADHO C[C@H]1CC[C@H](N[C@H]2CC3CCN(CC3)C2)C[NH2+]1 ZINC001246081284 987377645 /nfs/dbraw/zinc/37/76/45/987377645.db2.gz RSIVNCHCTXZWQX-UBHSHLNASA-N 1 3 237.391 1.201 20 0 BDADHO CO[C@H]1CCC[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083320 987382063 /nfs/dbraw/zinc/38/20/63/987382063.db2.gz GZCXZGAYQOGEGZ-RNJOBUHISA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@H]1CCC[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246083312 987382170 /nfs/dbraw/zinc/38/21/70/987382170.db2.gz GZCXZGAYQOGEGZ-CYDGBPFRSA-N 1 3 226.364 1.674 20 0 BDADHO CCC[C@H](CC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085705 987385413 /nfs/dbraw/zinc/38/54/13/987385413.db2.gz YFSWQOLSXIVJMH-SDDRHHMPSA-N 1 3 232.343 1.217 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246086503 987386523 /nfs/dbraw/zinc/38/65/23/987386523.db2.gz CODZTIGSSQLJFC-YPMHNXCESA-N 1 3 248.374 1.425 20 0 BDADHO Cc1cc(C)n(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246085147 987387039 /nfs/dbraw/zinc/38/70/39/987387039.db2.gz NYIALMUDPOOBSR-PBWFPOADSA-N 1 3 248.374 1.373 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246096042 987405258 /nfs/dbraw/zinc/40/52/58/987405258.db2.gz LLINLWQTTKOSSB-MGPQQGTHSA-N 1 3 247.386 1.990 20 0 BDADHO F[C@@H]1CCC[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC001246098701 987413745 /nfs/dbraw/zinc/41/37/45/987413745.db2.gz RLZCSHWRLQQORR-GARJFASQSA-N 1 3 200.301 1.466 20 0 BDADHO CCOCC[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246098850 987413850 /nfs/dbraw/zinc/41/38/50/987413850.db2.gz PVEKIOMWNXCFIQ-GARJFASQSA-N 1 3 218.316 1.091 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1CCC[NH2+][C@H]1C ZINC001246105442 987434063 /nfs/dbraw/zinc/43/40/63/987434063.db2.gz AZKUYEVEEQCBLT-SDDRHHMPSA-N 1 3 242.363 1.306 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@H]1COC(C)(C)C1 ZINC001246118011 987463808 /nfs/dbraw/zinc/46/38/08/987463808.db2.gz DUBCJCGSPQBKCD-IJLUTSLNSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H](N)c1nc2ccccc2n1C1CC[NH2+]CC1 ZINC001246121442 987469048 /nfs/dbraw/zinc/46/90/48/987469048.db2.gz QDCLPJFKOUNLDD-SNVBAGLBSA-N 1 3 244.342 1.981 20 0 BDADHO CC1(C)CCC(N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001246137043 987495158 /nfs/dbraw/zinc/49/51/58/987495158.db2.gz HPEXDRYUNPNFQG-JHJVBQTASA-N 1 3 238.375 1.532 20 0 BDADHO CCOC(=O)CCCCN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246189067 987573824 /nfs/dbraw/zinc/57/38/24/987573824.db2.gz ZGSYVMRCWBNXGH-NWDGAFQWSA-N 1 3 242.363 1.450 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2(C3CCOCC3)CC2)CCN1 ZINC001246195464 987586585 /nfs/dbraw/zinc/58/65/85/987586585.db2.gz OLYNWTARDKTRMI-AAEUAGOBSA-N 1 3 238.375 1.676 20 0 BDADHO Cc1ccc(CNCCC2CC[NH+](C)CC2)nn1 ZINC001473988753 987625445 /nfs/dbraw/zinc/62/54/45/987625445.db2.gz KBLDPSJYKCCOHZ-UHFFFAOYSA-N 1 3 248.374 1.607 20 0 BDADHO Cc1ccnc(CCN[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246255132 987653890 /nfs/dbraw/zinc/65/38/90/987653890.db2.gz KJCJQBDDQBBLTP-OCCSQVGLSA-N 1 3 233.359 1.663 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H](O)C2CCCCC2)CC[NH2+]1 ZINC001246278972 987673110 /nfs/dbraw/zinc/67/31/10/987673110.db2.gz COYPDEQGTCYBIX-KWCYVHTRSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)CCN1 ZINC001246278972 987673116 /nfs/dbraw/zinc/67/31/16/987673116.db2.gz COYPDEQGTCYBIX-KWCYVHTRSA-N 1 3 240.391 1.658 20 0 BDADHO C[N@@H+]1C[C@@H]2CC[C@@H](NCc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303318 987683437 /nfs/dbraw/zinc/68/34/37/987683437.db2.gz XGCRAMOHIMRFSL-YNEHKIRRSA-N 1 3 247.342 1.217 20 0 BDADHO C[N@H+]1C[C@@H]2CC[C@@H](NCc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303318 987683440 /nfs/dbraw/zinc/68/34/40/987683440.db2.gz XGCRAMOHIMRFSL-YNEHKIRRSA-N 1 3 247.342 1.217 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)[C@@H]2C1 ZINC001474303318 987683446 /nfs/dbraw/zinc/68/34/46/987683446.db2.gz XGCRAMOHIMRFSL-YNEHKIRRSA-N 1 3 247.342 1.217 20 0 BDADHO CCOC(=O)[C@H]1CCC[C@@H]1NC1CC[NH2+]CC1 ZINC001246305326 987703490 /nfs/dbraw/zinc/70/34/90/987703490.db2.gz OKQBIAJLMYJFHB-RYUDHWBXSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC001246305326 987703505 /nfs/dbraw/zinc/70/35/05/987703505.db2.gz OKQBIAJLMYJFHB-RYUDHWBXSA-N 1 3 240.347 1.060 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)C1 ZINC001474499099 987742255 /nfs/dbraw/zinc/74/22/55/987742255.db2.gz KADGTLSJHGEVLN-RFQIPJPRSA-N 1 3 238.375 1.341 20 0 BDADHO COC(=O)CCCCN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246357965 987768408 /nfs/dbraw/zinc/76/84/08/987768408.db2.gz WUEHGQVVAJSHJW-QWRGUYRKSA-N 1 3 228.336 1.060 20 0 BDADHO CCOC1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246445273 987797882 /nfs/dbraw/zinc/79/78/82/987797882.db2.gz NKNJQARNDDDLNT-MCIGGMRASA-N 1 3 224.348 1.286 20 0 BDADHO CCOC1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246445273 987797888 /nfs/dbraw/zinc/79/78/88/987797888.db2.gz NKNJQARNDDDLNT-MCIGGMRASA-N 1 3 224.348 1.286 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2CC23CNC3)C[C@@H](C)C1 ZINC001246445557 987801624 /nfs/dbraw/zinc/80/16/24/987801624.db2.gz PAJNUHBTPZNBEY-NOOOWODRSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CNC3)C[C@@H]1C ZINC001246446707 987804660 /nfs/dbraw/zinc/80/46/60/987804660.db2.gz TUYFHIMKKZHERY-RHYQMDGZSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(CO)cc2)CCN1 ZINC001246446272 987805304 /nfs/dbraw/zinc/80/53/04/987805304.db2.gz LXQJHVBRDOUBEF-IUODEOHRSA-N 1 3 248.370 1.452 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001474756803 987818122 /nfs/dbraw/zinc/81/81/22/987818122.db2.gz MCLGHCQIIOLCCO-XJFOESAGSA-N 1 3 248.374 1.201 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246464313 987823758 /nfs/dbraw/zinc/82/37/58/987823758.db2.gz ZDBOBWPROVYZTA-RVMXOQNASA-N 1 3 226.364 1.268 20 0 BDADHO CCOC(=O)CC[C@@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246478067 987834012 /nfs/dbraw/zinc/83/40/12/987834012.db2.gz NFFKXHKYAWBUTO-UTUOFQBUSA-N 1 3 242.363 1.578 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](N[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001246480480 987838303 /nfs/dbraw/zinc/83/83/03/987838303.db2.gz ZGNAWLHCUQGNOJ-KKOKHZNYSA-N 1 3 240.347 1.188 20 0 BDADHO OC[C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC001246499735 987853391 /nfs/dbraw/zinc/85/33/91/987853391.db2.gz DLZQMGKISSRYQJ-ZDUSSCGKSA-N 1 3 234.343 1.104 20 0 BDADHO OC[C@H](C[NH2+]C1CCNCC1)c1ccccc1 ZINC001246499735 987853396 /nfs/dbraw/zinc/85/33/96/987853396.db2.gz DLZQMGKISSRYQJ-ZDUSSCGKSA-N 1 3 234.343 1.104 20 0 BDADHO COC(=O)[C@H]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246499421 987854394 /nfs/dbraw/zinc/85/43/94/987854394.db2.gz YDLHFUPTYDIEFY-FIQHERPVSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC001246499421 987854402 /nfs/dbraw/zinc/85/44/02/987854402.db2.gz YDLHFUPTYDIEFY-FIQHERPVSA-N 1 3 240.347 1.058 20 0 BDADHO CC[C@H](C)OCC[C@H](C)[N@@H+]1CCCNCC1 ZINC001246524366 987875681 /nfs/dbraw/zinc/87/56/81/987875681.db2.gz ITDBGDFKXKRRJR-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CC[C@H](C)OCC[C@H](C)[N@H+]1CCCNCC1 ZINC001246524366 987875685 /nfs/dbraw/zinc/87/56/85/987875685.db2.gz ITDBGDFKXKRRJR-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO CCCC[C@H](CCC)N1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246537870 987899055 /nfs/dbraw/zinc/89/90/55/987899055.db2.gz DRALCXUBEFUXIS-AVGNSLFASA-N 1 3 228.380 1.739 20 0 BDADHO CCOC(=O)CC[C@@H](C)N1CCC[C@H]([NH3+])CC1 ZINC001246539202 987899175 /nfs/dbraw/zinc/89/91/75/987899175.db2.gz CNRODPLDRFNTPW-NEPJUHHUSA-N 1 3 242.363 1.531 20 0 BDADHO N[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544745 987923133 /nfs/dbraw/zinc/92/31/33/987923133.db2.gz YNDUOTOBTZGEAB-ODWCKFRGSA-N 1 3 224.348 1.510 20 0 BDADHO N[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001246544745 987923141 /nfs/dbraw/zinc/92/31/41/987923141.db2.gz YNDUOTOBTZGEAB-ODWCKFRGSA-N 1 3 224.348 1.510 20 0 BDADHO COC[C@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246547753 987925738 /nfs/dbraw/zinc/92/57/38/987925738.db2.gz NHWGIJJLNODHPZ-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246547753 987925745 /nfs/dbraw/zinc/92/57/45/987925745.db2.gz NHWGIJJLNODHPZ-IJLUTSLNSA-N 1 3 212.337 1.238 20 0 BDADHO CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560801 987996155 /nfs/dbraw/zinc/99/61/55/987996155.db2.gz TZLWQVWAMNNEHK-REWJHTLYSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246560801 987996172 /nfs/dbraw/zinc/99/61/72/987996172.db2.gz TZLWQVWAMNNEHK-REWJHTLYSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)C[C@H](C)C[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246560801 987996184 /nfs/dbraw/zinc/99/61/84/987996184.db2.gz TZLWQVWAMNNEHK-REWJHTLYSA-N 1 3 242.407 1.841 20 0 BDADHO CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001321977530 988069713 /nfs/dbraw/zinc/06/97/13/988069713.db2.gz FAXYEQVFABEEAX-NWDGAFQWSA-N 1 3 243.395 1.075 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](C)(CO)CC2)CCN1 ZINC001246577450 988088704 /nfs/dbraw/zinc/08/87/04/988088704.db2.gz RKTVYEAFRJDHGH-RDBSUJKOSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@](C)(CO)CC2)CCN1 ZINC001246577450 988088720 /nfs/dbraw/zinc/08/87/20/988088720.db2.gz RKTVYEAFRJDHGH-RDBSUJKOSA-N 1 3 240.391 1.611 20 0 BDADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580076 988102654 /nfs/dbraw/zinc/10/26/54/988102654.db2.gz KPRXBIDGIPROGO-XUXIUFHCSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580076 988102665 /nfs/dbraw/zinc/10/26/65/988102665.db2.gz KPRXBIDGIPROGO-XUXIUFHCSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580068 988103938 /nfs/dbraw/zinc/10/39/38/988103938.db2.gz KPRXBIDGIPROGO-CRWXNKLISA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246580068 988103950 /nfs/dbraw/zinc/10/39/50/988103950.db2.gz KPRXBIDGIPROGO-CRWXNKLISA-N 1 3 242.407 1.843 20 0 BDADHO CC(C)CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581223 988107595 /nfs/dbraw/zinc/10/75/95/988107595.db2.gz ROHJQCLRVVRJRT-FRRDWIJNSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581223 988107610 /nfs/dbraw/zinc/10/76/10/988107610.db2.gz ROHJQCLRVVRJRT-FRRDWIJNSA-N 1 3 228.380 1.453 20 0 BDADHO CN1CC[C@@H]([N@@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246583358 988122044 /nfs/dbraw/zinc/12/20/44/988122044.db2.gz JURDXDKFUBVOFZ-OLZOCXBDSA-N 1 3 225.380 1.141 20 0 BDADHO CN1CC[C@@H]([N@H+]2CCCC[C@@](C)(CN)C2)C1 ZINC001246583358 988122049 /nfs/dbraw/zinc/12/20/49/988122049.db2.gz JURDXDKFUBVOFZ-OLZOCXBDSA-N 1 3 225.380 1.141 20 0 BDADHO CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583658 988125064 /nfs/dbraw/zinc/12/50/64/988125064.db2.gz KPRXBIDGIPROGO-XDQVBPFNSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583658 988125083 /nfs/dbraw/zinc/12/50/83/988125083.db2.gz KPRXBIDGIPROGO-XDQVBPFNSA-N 1 3 242.407 1.843 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C2CCNCC2)C1 ZINC001246588927 988154742 /nfs/dbraw/zinc/15/47/42/988154742.db2.gz BJBMMNLZRNWFCH-GHMZBOCLSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C2CCNCC2)C1 ZINC001246588927 988154752 /nfs/dbraw/zinc/15/47/52/988154752.db2.gz BJBMMNLZRNWFCH-GHMZBOCLSA-N 1 3 240.347 1.012 20 0 BDADHO CC(C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001495816825 988251592 /nfs/dbraw/zinc/25/15/92/988251592.db2.gz WFELWZWWZAHHBF-GFCCVEGCSA-N 1 3 243.395 1.077 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616244 988255676 /nfs/dbraw/zinc/25/56/76/988255676.db2.gz AKEKWACCMHHPTQ-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)CCN1 ZINC001246616244 988255702 /nfs/dbraw/zinc/25/57/02/988255702.db2.gz AKEKWACCMHHPTQ-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCCO3)CCN1 ZINC001246616244 988255732 /nfs/dbraw/zinc/25/57/32/988255732.db2.gz AKEKWACCMHHPTQ-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO CCC[C@@H](C)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246619608 988264674 /nfs/dbraw/zinc/26/46/74/988264674.db2.gz SKWXPOJQZYXCIP-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO CCC[C@@H](C)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246619608 988264703 /nfs/dbraw/zinc/26/47/03/988264703.db2.gz SKWXPOJQZYXCIP-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CCN1 ZINC001246645508 988364905 /nfs/dbraw/zinc/36/49/05/988364905.db2.gz BSJWYXHYNVWVKC-RDBSUJKOSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)CCN1 ZINC001246645508 988364912 /nfs/dbraw/zinc/36/49/12/988364912.db2.gz BSJWYXHYNVWVKC-RDBSUJKOSA-N 1 3 238.375 1.629 20 0 BDADHO CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)N(C)C ZINC001497486644 988382343 /nfs/dbraw/zinc/38/23/43/988382343.db2.gz RGOYFFIZGRBQTE-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679283 988426511 /nfs/dbraw/zinc/42/65/11/988426511.db2.gz TUGMSVWKWBOUSN-YFKTTZPYSA-N 1 3 222.332 1.323 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CCN1 ZINC001246679283 988426515 /nfs/dbraw/zinc/42/65/15/988426515.db2.gz TUGMSVWKWBOUSN-YFKTTZPYSA-N 1 3 222.332 1.323 20 0 BDADHO CC(C)(C)[C@@H]1C[C@@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246819864 988500472 /nfs/dbraw/zinc/50/04/72/988500472.db2.gz KQFJLYIMQIDVML-YFKTTZPYSA-N 1 3 243.370 1.134 20 0 BDADHO C1C[NH2+]C[C@@H](N2CC3CCC(CC3)C2)C1 ZINC001246881148 988651793 /nfs/dbraw/zinc/65/17/93/988651793.db2.gz HFIZJNVWSJSATO-BPCQOVAHSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1CC(N2CCNC3=CCCC[C@H]32)C[C@@H](C)[NH2+]1 ZINC001246991369 988823848 /nfs/dbraw/zinc/82/38/48/988823848.db2.gz ANGIPIQPWGXBFU-LALPHHSUSA-N 1 3 249.402 1.857 20 0 BDADHO c1ccc([C@H]2C[C@@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246994387 988827726 /nfs/dbraw/zinc/82/77/26/988827726.db2.gz PRBQBNPQOYJRKC-UONOGXRCSA-N 1 3 231.343 1.342 20 0 BDADHO CCN1CCN([C@H]2CC[C@H](C)[NH2+]C2)[C@H](C)C1 ZINC001246997356 988833234 /nfs/dbraw/zinc/83/32/34/988833234.db2.gz UDPYIDZINOGPTG-XQQFMLRXSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122393326 990369692 /nfs/dbraw/zinc/36/96/92/990369692.db2.gz WNIZHNFITKBVGO-RYUDHWBXSA-N 1 3 241.379 1.008 20 0 BDADHO CC[NH2+][C@H](CNC(=O)[C@@H](CC)N(C)C)C(C)C ZINC001568466761 992169538 /nfs/dbraw/zinc/16/95/38/992169538.db2.gz GMIBYPWKYSHQFU-VXGBXAGGSA-N 1 3 243.395 1.077 20 0 BDADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001320614250 992276028 /nfs/dbraw/zinc/27/60/28/992276028.db2.gz JRCFKXQQDIZNMY-GFCCVEGCSA-N 1 3 243.395 1.221 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001261515284 992361469 /nfs/dbraw/zinc/36/14/69/992361469.db2.gz BORFXDWHWWVHNN-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001261515284 992361479 /nfs/dbraw/zinc/36/14/79/992361479.db2.gz BORFXDWHWWVHNN-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12)[C@@H]1CC1(F)F ZINC001474757332 992529912 /nfs/dbraw/zinc/52/99/12/992529912.db2.gz UVXAZTYAPGTOLK-KZZRWZIVSA-N 1 3 244.329 1.960 20 0 BDADHO CC(C)(C)O[C@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC001573469117 992614597 /nfs/dbraw/zinc/61/45/97/992614597.db2.gz JIRCBKSPGATXLV-ZJUUUORDSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)[C@H](CO)[C@@H]([NH2+][C@H]1CCNC1)C(C)C ZINC001573490781 992619411 /nfs/dbraw/zinc/61/94/11/992619411.db2.gz DJIOJBOVCOAOOI-AVGNSLFASA-N 1 3 228.380 1.227 20 0 BDADHO C(NC1([C@H]2CCCO2)CCC1)[C@@H]1CC[NH2+]C1 ZINC001574816508 992918643 /nfs/dbraw/zinc/91/86/43/992918643.db2.gz GXFJTAZUCPXTBL-VXGBXAGGSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)(C[NH3+])CN1CCOCC2(CCCC2)C1 ZINC001575314880 993003177 /nfs/dbraw/zinc/00/31/77/993003177.db2.gz ARTOONVFNAIZLF-UHFFFAOYSA-N 1 3 240.391 1.864 20 0 BDADHO CC(C)C[C@H](O)CNC[C@H]([NH3+])CC(F)(F)F ZINC001575548880 993069464 /nfs/dbraw/zinc/06/94/64/993069464.db2.gz CIMFNGZRUPGAAA-BDAKNGLRSA-N 1 3 242.285 1.263 20 0 BDADHO C[C@H](C[NH2+]C[C@H](N)CC(F)F)N(C)C1CC1 ZINC001576032350 993154763 /nfs/dbraw/zinc/15/47/63/993154763.db2.gz CHZQFMOGLKKPPG-RKDXNWHRSA-N 1 3 235.322 1.041 20 0 BDADHO C[C@@H](Cc1cccc(F)c1)NCC1([NH3+])CC1 ZINC001576053012 993168363 /nfs/dbraw/zinc/16/83/63/993168363.db2.gz RASNXAUUWNAXOJ-JTQLQIEISA-N 1 3 222.307 1.838 20 0 BDADHO C[C@H](Cc1ccno1)N[C@H]1CCC[NH2+]CC1 ZINC001576067759 993169484 /nfs/dbraw/zinc/16/94/84/993169484.db2.gz ZXYDDXVHUVEPEZ-MNOVXSKESA-N 1 3 223.320 1.337 20 0 BDADHO C[C@@H](Cc1ccno1)N[C@@H]1CCC[NH2+]CC1 ZINC001576067761 993169548 /nfs/dbraw/zinc/16/95/48/993169548.db2.gz ZXYDDXVHUVEPEZ-WDEREUQCSA-N 1 3 223.320 1.337 20 0 BDADHO CC1(C)[C@@H](C[NH2+][C@@H]2C[C@@H](N)C2(C)C)C1(F)F ZINC001576384048 993290262 /nfs/dbraw/zinc/29/02/62/993290262.db2.gz SUMOEZPIDUCDTK-IWSPIJDZSA-N 1 3 232.318 1.993 20 0 BDADHO CC1(C)[C@@H](CN[C@@H]2C[C@@H]([NH3+])C2(C)C)C1(F)F ZINC001576384048 993290274 /nfs/dbraw/zinc/29/02/74/993290274.db2.gz SUMOEZPIDUCDTK-IWSPIJDZSA-N 1 3 232.318 1.993 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCC1(C2(O)CCC2)CC1 ZINC001576381628 993292740 /nfs/dbraw/zinc/29/27/40/993292740.db2.gz CDOBWKQJYLJRNC-GHMZBOCLSA-N 1 3 238.375 1.397 20 0 BDADHO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1COC(C)(C)O1 ZINC001576622421 993373525 /nfs/dbraw/zinc/37/35/25/993373525.db2.gz DNCUTAXEBRBDSZ-WISYIIOYSA-N 1 3 242.363 1.257 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](NCCC2CSC2)C1 ZINC001576850579 993433126 /nfs/dbraw/zinc/43/31/26/993433126.db2.gz UIUIURXMNSLLDP-GXSJLCMTSA-N 1 3 214.378 1.327 20 0 BDADHO [NH3+][C@H]1CCCN(C[C@H]2CCCCO2)CC1 ZINC000382201832 993441928 /nfs/dbraw/zinc/44/19/28/993441928.db2.gz FIHFJJKWHKBEQY-NWDGAFQWSA-N 1 3 212.337 1.369 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)C(C)(C)N1CCCCC1 ZINC001577115305 993506034 /nfs/dbraw/zinc/50/60/34/993506034.db2.gz MCTNOFHYXDDOHT-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CC[NH+](CC)C[C@H](O)CN1CCCCCCC1 ZINC000383969695 993530566 /nfs/dbraw/zinc/53/05/66/993530566.db2.gz KILOPGABBGVBBH-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CC[C@H]([NH2+]CC(CC)(CC)CN)[C@@H](C)O ZINC001577175930 993535221 /nfs/dbraw/zinc/53/52/21/993535221.db2.gz MWMZBDADFIEVHT-MNOVXSKESA-N 1 3 216.369 1.501 20 0 BDADHO CC[C@@H]1CN(Cc2cc[nH]c(=O)c2)CC[C@H]1[NH3+] ZINC001577279781 993574458 /nfs/dbraw/zinc/57/44/58/993574458.db2.gz PYLQONCPZVKXFC-VXGBXAGGSA-N 1 3 235.331 1.346 20 0 BDADHO CC[C@H]1CN(CC)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577280095 993575635 /nfs/dbraw/zinc/57/56/35/993575635.db2.gz XLAZKSMKCORCGZ-RDBSUJKOSA-N 1 3 239.407 1.258 20 0 BDADHO CCCC[C@@H](C(=O)OC)N1CC[C@H](CC[NH3+])C1 ZINC001577387951 993636937 /nfs/dbraw/zinc/63/69/37/993636937.db2.gz CNOHTNBKUHXDFD-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO COCCC[N@@H+]1CCCC[C@@H](CN)C1 ZINC000389303497 993742290 /nfs/dbraw/zinc/74/22/90/993742290.db2.gz MWMBSYLONPAIIP-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO COCCC[N@H+]1CCCC[C@@H](CN)C1 ZINC000389303497 993742299 /nfs/dbraw/zinc/74/22/99/993742299.db2.gz MWMBSYLONPAIIP-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO FC1(F)CCC([N@@H+]2CCCNCC2)CC1 ZINC000390079777 993775872 /nfs/dbraw/zinc/77/58/72/993775872.db2.gz YJGDCKCEKLVBKB-UHFFFAOYSA-N 1 3 218.291 1.860 20 0 BDADHO FC1(F)CCC([N@H+]2CCCNCC2)CC1 ZINC000390079777 993775884 /nfs/dbraw/zinc/77/58/84/993775884.db2.gz YJGDCKCEKLVBKB-UHFFFAOYSA-N 1 3 218.291 1.860 20 0 BDADHO CCCO[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000701726430 993907829 /nfs/dbraw/zinc/90/78/29/993907829.db2.gz LQGGMLKGYAXNKJ-QNMSZWNNSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CN(CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000724414091 994065290 /nfs/dbraw/zinc/06/52/90/994065290.db2.gz JXABGDJTPCDKSJ-MPPDQPJWSA-N 1 3 226.364 1.469 20 0 BDADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)N(C)C ZINC001282462267 994237162 /nfs/dbraw/zinc/23/71/62/994237162.db2.gz TWHRGGUKBUPQQD-RYUDHWBXSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C(C)C)N(C)C ZINC001282462267 994237169 /nfs/dbraw/zinc/23/71/69/994237169.db2.gz TWHRGGUKBUPQQD-RYUDHWBXSA-N 1 3 243.395 1.172 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001335460938 994778459 /nfs/dbraw/zinc/77/84/59/994778459.db2.gz SIRFUMBTYUTCJC-ZIAGYGMSSA-N 1 3 240.391 1.469 20 0 BDADHO CC[C@@H](O)CNC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001335460938 994778472 /nfs/dbraw/zinc/77/84/72/994778472.db2.gz SIRFUMBTYUTCJC-ZIAGYGMSSA-N 1 3 240.391 1.469 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC001335460938 994778484 /nfs/dbraw/zinc/77/84/84/994778484.db2.gz SIRFUMBTYUTCJC-ZIAGYGMSSA-N 1 3 240.391 1.469 20 0 BDADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]C(C)C)N(C)C ZINC001492113857 995022505 /nfs/dbraw/zinc/02/25/05/995022505.db2.gz XSAASABKMQFYBN-RYUDHWBXSA-N 1 3 243.395 1.219 20 0 BDADHO CC1(C)CN(C[C@@H]2CC[NH2+]C2)CCCO1 ZINC000389863041 398143214 /nfs/dbraw/zinc/14/32/14/398143214.db2.gz FMSRPPRUDUTAGS-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO N[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339407050 398156662 /nfs/dbraw/zinc/15/66/62/398156662.db2.gz KHCAEHWFLNHIGG-AWEZNQCLSA-N 1 3 246.354 1.587 20 0 BDADHO N[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339407050 398156667 /nfs/dbraw/zinc/15/66/67/398156667.db2.gz KHCAEHWFLNHIGG-AWEZNQCLSA-N 1 3 246.354 1.587 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H](C)CCO ZINC000649870471 398158153 /nfs/dbraw/zinc/15/81/53/398158153.db2.gz AGYVTPOOUDXAEH-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H](C)CCO ZINC000649870471 398158155 /nfs/dbraw/zinc/15/81/55/398158155.db2.gz AGYVTPOOUDXAEH-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO COC1(CCN2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000379838835 398173744 /nfs/dbraw/zinc/17/37/44/398173744.db2.gz FXIMTBPKXJMTFF-TXEJJXNPSA-N 1 3 224.348 1.097 20 0 BDADHO Cc1cc(N[C@H]2CCCN(C)[C@H]2C)cc[nH+]1 ZINC000336745729 398186068 /nfs/dbraw/zinc/18/60/68/398186068.db2.gz QWEVWPKSGOUKLH-AAEUAGOBSA-N 1 3 219.332 1.707 20 0 BDADHO COCC1(CC[NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000576227801 365529972 /nfs/dbraw/zinc/52/99/72/365529972.db2.gz IZNDXUDENHYHTH-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H](NC1CCC(CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000386007376 398194391 /nfs/dbraw/zinc/19/43/91/398194391.db2.gz LXYUMJQNINQUKO-RYSNWHEDSA-N 1 3 240.391 1.658 20 0 BDADHO CCC[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994611 398194497 /nfs/dbraw/zinc/19/44/97/398194497.db2.gz FLRNHPDQNYKINU-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)OC ZINC000385994611 398194501 /nfs/dbraw/zinc/19/45/01/398194501.db2.gz FLRNHPDQNYKINU-JSGCOSHPSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)CC(F)F ZINC000647800625 398206987 /nfs/dbraw/zinc/20/69/87/398206987.db2.gz HZUINWMYZMWCCR-IVZWLZJFSA-N 1 3 220.307 1.995 20 0 BDADHO CCN1CCC([NH2+]Cc2cc(C)nn2C)CC1 ZINC000342597840 365552602 /nfs/dbraw/zinc/55/26/02/365552602.db2.gz PPHROGOOINNJNI-UHFFFAOYSA-N 1 3 236.363 1.302 20 0 BDADHO Cc1cc(C)n(CCN[C@@](C)(C[NH3+])C2CC2)n1 ZINC000649410449 398209108 /nfs/dbraw/zinc/20/91/08/398209108.db2.gz BLZWDYBBZPICFY-ZDUSSCGKSA-N 1 3 236.363 1.217 20 0 BDADHO CCc1cnc(CN[C@H](C)CCC[NH3+])s1 ZINC000336717569 398213615 /nfs/dbraw/zinc/21/36/15/398213615.db2.gz XZVGKDVVXOTCPL-SECBINFHSA-N 1 3 227.377 1.923 20 0 BDADHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccccc1 ZINC000199980993 398217199 /nfs/dbraw/zinc/21/71/99/398217199.db2.gz IJWHTFRKNCJMNR-VXGBXAGGSA-N 1 3 206.333 1.945 20 0 BDADHO CCC[C@H](CN[C@H](C)CC[NH+](C)C)OC ZINC000386556227 398213216 /nfs/dbraw/zinc/21/32/16/398213216.db2.gz IBCVDGAEWLZHPV-VXGBXAGGSA-N 1 3 216.369 1.731 20 0 BDADHO CCC(CC)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336687626 168352666 /nfs/dbraw/zinc/35/26/66/168352666.db2.gz FPKAYKOOYAIRKJ-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CCC(CC)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336687626 168352667 /nfs/dbraw/zinc/35/26/67/168352667.db2.gz FPKAYKOOYAIRKJ-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO COCCCCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430557200 398228329 /nfs/dbraw/zinc/22/83/29/398228329.db2.gz SBOGVXAWMLFLSY-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO CC(C)N1CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000229542215 538939688 /nfs/dbraw/zinc/93/96/88/538939688.db2.gz LUWLMFFPWHXYGN-STQMWFEESA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]([NH2+]C1CCC(CO)CC1)[C@H]1CCCN1 ZINC000400696172 398267127 /nfs/dbraw/zinc/26/71/27/398267127.db2.gz JCMPIHOPPVFZLQ-IKWCTNDRSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCN1 ZINC000400696186 398267391 /nfs/dbraw/zinc/26/73/91/398267391.db2.gz JCMPIHOPPVFZLQ-XVSSEFHLSA-N 1 3 226.364 1.268 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000162169648 349583532 /nfs/dbraw/zinc/58/35/32/349583532.db2.gz XDQHLDHDYZSLRV-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000162169648 349583536 /nfs/dbraw/zinc/58/35/36/349583536.db2.gz XDQHLDHDYZSLRV-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CCN(CC)CCC[N@H+](CC)C[C@@H](C)O ZINC000167199218 361862499 /nfs/dbraw/zinc/86/24/99/361862499.db2.gz LZCVNQZFKSRMPX-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](CC)C[C@@H](C)O ZINC000167199218 361862500 /nfs/dbraw/zinc/86/25/00/361862500.db2.gz LZCVNQZFKSRMPX-GFCCVEGCSA-N 1 3 216.369 1.421 20 0 BDADHO OCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000183231832 538965623 /nfs/dbraw/zinc/96/56/23/538965623.db2.gz IBBWNTPQGNSYEY-STQMWFEESA-N 1 3 238.375 1.365 20 0 BDADHO OCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000183231832 538965625 /nfs/dbraw/zinc/96/56/25/538965625.db2.gz IBBWNTPQGNSYEY-STQMWFEESA-N 1 3 238.375 1.365 20 0 BDADHO CCSCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000309618292 342753319 /nfs/dbraw/zinc/75/33/19/342753319.db2.gz FYXQBSMZAVUNSD-GFCCVEGCSA-N 1 3 228.405 1.815 20 0 BDADHO CCSCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000309618292 342753320 /nfs/dbraw/zinc/75/33/20/342753320.db2.gz FYXQBSMZAVUNSD-GFCCVEGCSA-N 1 3 228.405 1.815 20 0 BDADHO CCSCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000309618292 342753321 /nfs/dbraw/zinc/75/33/21/342753321.db2.gz FYXQBSMZAVUNSD-GFCCVEGCSA-N 1 3 228.405 1.815 20 0 BDADHO Fc1cccc(CCCN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000348749024 136237898 /nfs/dbraw/zinc/23/78/98/136237898.db2.gz MKUWIDSEWWCMFE-KBPBESRZSA-N 1 3 248.345 1.910 20 0 BDADHO Cc1cc(CCN[C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000581835025 342811325 /nfs/dbraw/zinc/81/13/25/342811325.db2.gz KCSRZMZPSISTMV-QWRGUYRKSA-N 1 3 223.320 1.385 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040671738 538972430 /nfs/dbraw/zinc/97/24/30/538972430.db2.gz AEAJNPVYSVIWHT-CQSZACIVSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(C)C2)CC1 ZINC000040671738 538972431 /nfs/dbraw/zinc/97/24/31/538972431.db2.gz AEAJNPVYSVIWHT-CQSZACIVSA-N 1 3 239.407 1.543 20 0 BDADHO Cc1c[nH+]ccc1N1CCN(C(C)C)CC1 ZINC000191978422 538993748 /nfs/dbraw/zinc/99/37/48/538993748.db2.gz ZYUCCTIEMQHCEZ-UHFFFAOYSA-N 1 3 219.332 1.920 20 0 BDADHO C[C@H](C[NH2+]C1CSC1)CN1CCCCC1 ZINC000389955099 539018697 /nfs/dbraw/zinc/01/86/97/539018697.db2.gz UBECKVZFWIYGEC-LLVKDONJSA-N 1 3 228.405 1.813 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)C1 ZINC000389206764 398306449 /nfs/dbraw/zinc/30/64/49/398306449.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000389206764 398306450 /nfs/dbraw/zinc/30/64/50/398306450.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000389206764 398306451 /nfs/dbraw/zinc/30/64/51/398306451.db2.gz ZWWHCZLTSGVBCP-XDQVBPFNSA-N 1 3 239.407 1.399 20 0 BDADHO CSCC1CCC([NH2+]CCCN)CC1 ZINC000385807607 342856251 /nfs/dbraw/zinc/85/62/51/342856251.db2.gz HSEFEYHOGFGGLQ-UHFFFAOYSA-N 1 3 216.394 1.847 20 0 BDADHO CCO[C@H](CN1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000625166754 342899047 /nfs/dbraw/zinc/89/90/47/342899047.db2.gz LHXUCVRXDONLTH-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000165006303 529441640 /nfs/dbraw/zinc/44/16/40/529441640.db2.gz ZRTDNMVXVYCKCF-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](N)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000165006303 529441642 /nfs/dbraw/zinc/44/16/42/529441642.db2.gz ZRTDNMVXVYCKCF-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO COCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917808 398335243 /nfs/dbraw/zinc/33/52/43/398335243.db2.gz XPNLBAOBDMKBDB-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN(CCO)CC(C)(C)C ZINC000678075771 488192285 /nfs/dbraw/zinc/19/22/85/488192285.db2.gz HLWOPTUNIIWOFG-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN(CCO)CC(C)(C)C ZINC000678075771 488192289 /nfs/dbraw/zinc/19/22/89/488192289.db2.gz HLWOPTUNIIWOFG-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO FC1(C[NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000308876293 346929284 /nfs/dbraw/zinc/92/92/84/346929284.db2.gz NLDSNOOUXARUPW-SNVBAGLBSA-N 1 3 212.312 1.562 20 0 BDADHO CNCc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000237203997 343131109 /nfs/dbraw/zinc/13/11/09/343131109.db2.gz DROLIQQWAWOYAE-UHFFFAOYSA-N 1 3 247.342 1.344 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC12CCOCC2 ZINC000562962310 323036297 /nfs/dbraw/zinc/03/62/97/323036297.db2.gz ROIIROPNQOBOGL-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc3c(c2)OCO3)C1 ZINC000093210138 343151303 /nfs/dbraw/zinc/15/13/03/343151303.db2.gz FHDAUBWPGKKCAA-VXGBXAGGSA-N 1 3 248.326 1.775 20 0 BDADHO C[NH+](C)Cc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000147745637 343198317 /nfs/dbraw/zinc/19/83/17/343198317.db2.gz SEHAUABETMUHSI-UHFFFAOYSA-N 1 3 247.342 1.568 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000084222841 136290724 /nfs/dbraw/zinc/29/07/24/136290724.db2.gz GLDKJIBSYCWSSP-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO Cc1nccn1CCC[N@@H+](C)C1CCNCC1 ZINC000348754493 136296875 /nfs/dbraw/zinc/29/68/75/136296875.db2.gz AAJCWFYSHZLKRR-UHFFFAOYSA-N 1 3 236.363 1.265 20 0 BDADHO Cc1nccn1CCC[N@H+](C)C1CCNCC1 ZINC000348754493 136296876 /nfs/dbraw/zinc/29/68/76/136296876.db2.gz AAJCWFYSHZLKRR-UHFFFAOYSA-N 1 3 236.363 1.265 20 0 BDADHO Cc1nccn1CCCN(C)C1CC[NH2+]CC1 ZINC000348754493 136296877 /nfs/dbraw/zinc/29/68/77/136296877.db2.gz AAJCWFYSHZLKRR-UHFFFAOYSA-N 1 3 236.363 1.265 20 0 BDADHO CN(C)Cc1cccc(NC(=O)CCC[NH3+])c1 ZINC000037019522 343330968 /nfs/dbraw/zinc/33/09/68/343330968.db2.gz NSPTVYOGOYEXIJ-UHFFFAOYSA-N 1 3 235.331 1.426 20 0 BDADHO O=C(Nc1ccc2c(c1)CNC2)C1CC[NH2+]CC1 ZINC000335653535 136305429 /nfs/dbraw/zinc/30/54/29/136305429.db2.gz KWOFRYHPKOFZPR-UHFFFAOYSA-N 1 3 245.326 1.228 20 0 BDADHO COCC[N@H+](CCCN)CC1CCCC1 ZINC000070843797 343338686 /nfs/dbraw/zinc/33/86/86/343338686.db2.gz FNBNFSZCDLKENY-UHFFFAOYSA-N 1 3 214.353 1.474 20 0 BDADHO COCC[N@@H+](CCCN)CC1CCCC1 ZINC000070843797 343338688 /nfs/dbraw/zinc/33/86/88/343338688.db2.gz FNBNFSZCDLKENY-UHFFFAOYSA-N 1 3 214.353 1.474 20 0 BDADHO COCCN(CCC[NH3+])CC1CCCC1 ZINC000070843797 343338690 /nfs/dbraw/zinc/33/86/90/343338690.db2.gz FNBNFSZCDLKENY-UHFFFAOYSA-N 1 3 214.353 1.474 20 0 BDADHO CC(C)[C@H](C(=O)NCCCC[NH+](C)C)N(C)C ZINC000349140910 136324120 /nfs/dbraw/zinc/32/41/20/136324120.db2.gz BOIFQSLWJSGLOD-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CN(C)Cc1ccccc1CNC(=O)C(C)(C)[NH3+] ZINC000040925545 343411372 /nfs/dbraw/zinc/41/13/72/343411372.db2.gz KTBARPXWXDWFDO-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO C[C@@H]1OCC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000335854129 136355913 /nfs/dbraw/zinc/35/59/13/136355913.db2.gz VTOGQOSFSVYIPY-GFJIZPEISA-N 1 3 238.375 1.770 20 0 BDADHO CCOCCC[N@@H+]1CCCC[C@H]1CCN ZINC000083552508 343490527 /nfs/dbraw/zinc/49/05/27/343490527.db2.gz NGNUCOGSNHQSID-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCOCCC[N@H+]1CCCC[C@H]1CCN ZINC000083552508 343490529 /nfs/dbraw/zinc/49/05/29/343490529.db2.gz NGNUCOGSNHQSID-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCOCCCN1CCCC[C@H]1CC[NH3+] ZINC000083552508 343490531 /nfs/dbraw/zinc/49/05/31/343490531.db2.gz NGNUCOGSNHQSID-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO C[C@@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@@H+]1C ZINC000624324714 343700084 /nfs/dbraw/zinc/70/00/84/343700084.db2.gz SNXRXXVVBZAYGE-MNOVXSKESA-N 1 3 249.349 1.256 20 0 BDADHO C[C@@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@H+]1C ZINC000624324714 343700087 /nfs/dbraw/zinc/70/00/87/343700087.db2.gz SNXRXXVVBZAYGE-MNOVXSKESA-N 1 3 249.349 1.256 20 0 BDADHO CN1CCC(O)(C[NH2+]CC2(C)CCC2)CC1 ZINC000336724635 537831125 /nfs/dbraw/zinc/83/11/25/537831125.db2.gz BEWTXBWSHKHBRS-UHFFFAOYSA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@H](O)CNC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000570564235 323063199 /nfs/dbraw/zinc/06/31/99/323063199.db2.gz JHANKDQCOYSKHP-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@H](O)CNC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000570564235 323063200 /nfs/dbraw/zinc/06/32/00/323063200.db2.gz JHANKDQCOYSKHP-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@@H]1CCCN(CC(C)C)C1 ZINC000570564235 323063201 /nfs/dbraw/zinc/06/32/01/323063201.db2.gz JHANKDQCOYSKHP-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000580324380 347040134 /nfs/dbraw/zinc/04/01/34/347040134.db2.gz QTJOEPKAMSBBDK-KCJUWKMLSA-N 1 3 221.304 1.382 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000132250716 344289148 /nfs/dbraw/zinc/28/91/48/344289148.db2.gz WGGMDKMOIRFTHT-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[NH+]1CCCC1 ZINC000132250716 344289152 /nfs/dbraw/zinc/28/91/52/344289152.db2.gz WGGMDKMOIRFTHT-VXGBXAGGSA-N 1 3 214.353 1.485 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000132251100 344291497 /nfs/dbraw/zinc/29/14/97/344291497.db2.gz WGGMDKMOIRFTHT-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[NH+]1CCCC1 ZINC000132251100 344291499 /nfs/dbraw/zinc/29/14/99/344291499.db2.gz WGGMDKMOIRFTHT-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215377 344312473 /nfs/dbraw/zinc/31/24/73/344312473.db2.gz ZRWOGAVGFSURHG-QWHCGFSZSA-N 1 3 234.343 1.794 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccc(O)cc2)C1 ZINC000093215377 344312477 /nfs/dbraw/zinc/31/24/77/344312477.db2.gz ZRWOGAVGFSURHG-QWHCGFSZSA-N 1 3 234.343 1.794 20 0 BDADHO C(CN1C[C@@H]2COC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000634779985 344316317 /nfs/dbraw/zinc/31/63/17/344316317.db2.gz OIRVUKNAJSLDRI-OKILXGFUSA-N 1 3 238.375 1.441 20 0 BDADHO CCOCCCN(C)CC[C@@H]([NH3+])C(C)C ZINC000133310343 344317418 /nfs/dbraw/zinc/31/74/18/344317418.db2.gz GGXCYUGRCOAMET-GFCCVEGCSA-N 1 3 216.369 1.718 20 0 BDADHO CC[C@@H]1CCC[N@H+](CCN2CCNCC2)C1 ZINC000037482599 344508670 /nfs/dbraw/zinc/50/86/70/344508670.db2.gz YFYOABPRNJBNPW-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO CC[C@@H]1CCC[N@@H+](CCN2CCNCC2)C1 ZINC000037482599 344508672 /nfs/dbraw/zinc/50/86/72/344508672.db2.gz YFYOABPRNJBNPW-CYBMUJFWSA-N 1 3 225.380 1.014 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN1CC ZINC000037621326 344553201 /nfs/dbraw/zinc/55/32/01/344553201.db2.gz OJJHAFAFIFAIBO-YPMHNXCESA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]1CO[C@@H](C)CN1CC[C@H]1CCC[NH2+]C1 ZINC000251919919 344682195 /nfs/dbraw/zinc/68/21/95/344682195.db2.gz YLBKTLOYNUDGFU-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)CCO1 ZINC000388726921 347068036 /nfs/dbraw/zinc/06/80/36/347068036.db2.gz OHTGEHGETCIJNB-SYQHCUMBSA-N 1 3 240.391 1.909 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046123 344695676 /nfs/dbraw/zinc/69/56/76/344695676.db2.gz QPFPKPVUEIMWIU-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000626046123 344695678 /nfs/dbraw/zinc/69/56/78/344695678.db2.gz QPFPKPVUEIMWIU-RWMBFGLXSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CCC(O)(C[NH2+]Cc2ccsc2)CC1 ZINC000077450286 344824706 /nfs/dbraw/zinc/82/47/06/344824706.db2.gz KDGLIDYGWYAPJJ-UHFFFAOYSA-N 1 3 240.372 1.294 20 0 BDADHO C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052580 345120966 /nfs/dbraw/zinc/12/09/66/345120966.db2.gz WCDHLTYOIBGRKE-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052580 345120969 /nfs/dbraw/zinc/12/09/69/345120969.db2.gz WCDHLTYOIBGRKE-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634993253 345189591 /nfs/dbraw/zinc/18/95/91/345189591.db2.gz ORYBSIXBBAJNDS-MOKVOYLWSA-N 1 3 237.391 1.010 20 0 BDADHO C(C1CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000156493194 345168216 /nfs/dbraw/zinc/16/82/16/345168216.db2.gz GVZWNOODMPOWFX-CYBMUJFWSA-N 1 3 208.349 1.814 20 0 BDADHO C(C1CC1)[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000156493194 345168220 /nfs/dbraw/zinc/16/82/20/345168220.db2.gz GVZWNOODMPOWFX-CYBMUJFWSA-N 1 3 208.349 1.814 20 0 BDADHO C(C1CC1)[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000156493194 345168221 /nfs/dbraw/zinc/16/82/21/345168221.db2.gz GVZWNOODMPOWFX-CYBMUJFWSA-N 1 3 208.349 1.814 20 0 BDADHO C[N@H+](CC12CC(C1)CN2)C(C1CC1)C1CC1 ZINC000634992394 345180365 /nfs/dbraw/zinc/18/03/65/345180365.db2.gz NPSIIROWWUPTAY-UHFFFAOYSA-N 1 3 220.360 1.859 20 0 BDADHO C[N@@H+](CC12CC(C1)CN2)C(C1CC1)C1CC1 ZINC000634992394 345180367 /nfs/dbraw/zinc/18/03/67/345180367.db2.gz NPSIIROWWUPTAY-UHFFFAOYSA-N 1 3 220.360 1.859 20 0 BDADHO C[C@@]1([NH2+]CC23CC(C2)CN3)CC=CCC1 ZINC000634996835 345184354 /nfs/dbraw/zinc/18/43/54/345184354.db2.gz WPDULQZZBIBXPX-OTTFEQOBSA-N 1 3 206.333 1.827 20 0 BDADHO C[C@@]1(NCC23CC(C2)C[NH2+]3)CC=CCC1 ZINC000634996835 345184356 /nfs/dbraw/zinc/18/43/56/345184356.db2.gz WPDULQZZBIBXPX-OTTFEQOBSA-N 1 3 206.333 1.827 20 0 BDADHO COC[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156074490 345123808 /nfs/dbraw/zinc/12/38/08/345123808.db2.gz SROXFHWZBBOLIB-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156074490 345123809 /nfs/dbraw/zinc/12/38/09/345123809.db2.gz SROXFHWZBBOLIB-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000156074490 345123813 /nfs/dbraw/zinc/12/38/13/345123813.db2.gz SROXFHWZBBOLIB-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCCO1 ZINC000634996077 345186938 /nfs/dbraw/zinc/18/69/38/345186938.db2.gz YVLODTCFNZIQTH-QBHFIFKDSA-N 1 3 224.348 1.286 20 0 BDADHO C(C1CC1)[NH+](CC1CC1)CC12CC(C1)CN2 ZINC000634993074 345188531 /nfs/dbraw/zinc/18/85/31/345188531.db2.gz KRXBXXKYEXISPR-UHFFFAOYSA-N 1 3 220.360 1.860 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CCCC23CC3)C1 ZINC000634997595 345197750 /nfs/dbraw/zinc/19/77/50/345197750.db2.gz OOVGMDMKYVSEMM-SDDRHHMPSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1ccc(O)c(CN2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000634999594 345200834 /nfs/dbraw/zinc/20/08/34/345200834.db2.gz WUOATAXGOYUMJZ-GXSJLCMTSA-N 1 3 235.331 1.122 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@@H]1CN ZINC000635003076 345205780 /nfs/dbraw/zinc/20/57/80/345205780.db2.gz FPNDGGXNKDZKEX-UTUOFQBUSA-N 1 3 214.353 1.255 20 0 BDADHO CC(C)(F)CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000635003804 345206901 /nfs/dbraw/zinc/20/69/01/345206901.db2.gz LTDHCCAOZIXOKF-ZJUUUORDSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000635004898 345208520 /nfs/dbraw/zinc/20/85/20/345208520.db2.gz RDNBXRZWXCQHGL-CYDGBPFRSA-N 1 3 238.375 1.661 20 0 BDADHO CCOC[C@@H](C)NCc1cccc2c1CC[NH2+]C2 ZINC000635010423 345212636 /nfs/dbraw/zinc/21/26/36/345212636.db2.gz KTECSISOEOKJQV-GFCCVEGCSA-N 1 3 248.370 1.847 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCO1 ZINC000635011249 345212671 /nfs/dbraw/zinc/21/26/71/345212671.db2.gz MXFICXDIPYOPJU-AVGNSLFASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNCC(C)(C)C1)[C@@H]1CCCO1 ZINC000635011249 345212672 /nfs/dbraw/zinc/21/26/72/345212672.db2.gz MXFICXDIPYOPJU-AVGNSLFASA-N 1 3 240.391 1.922 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000446780484 537896414 /nfs/dbraw/zinc/89/64/14/537896414.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000446780484 537896420 /nfs/dbraw/zinc/89/64/20/537896420.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN([C@H](C)CCOC)C1 ZINC000446780484 537896432 /nfs/dbraw/zinc/89/64/32/537896432.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN([C@H](C)CCOC)C1 ZINC000446780484 537896439 /nfs/dbraw/zinc/89/64/39/537896439.db2.gz KNKPKLVGKRDNCM-CHWSQXEVSA-N 1 3 228.380 1.685 20 0 BDADHO CCC[NH+]1CCC(NCCSC)CC1 ZINC000070184152 345454786 /nfs/dbraw/zinc/45/47/86/345454786.db2.gz HLKOZHXPQGPLGI-UHFFFAOYSA-N 1 3 216.394 1.813 20 0 BDADHO COCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158966593 345392837 /nfs/dbraw/zinc/39/28/37/345392837.db2.gz HZDYTZCEUBXQIZ-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO COCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000158966593 345392839 /nfs/dbraw/zinc/39/28/39/345392839.db2.gz HZDYTZCEUBXQIZ-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000563153883 323095942 /nfs/dbraw/zinc/09/59/42/323095942.db2.gz GDFWRSRLPXMDLC-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000563153883 323095943 /nfs/dbraw/zinc/09/59/43/323095943.db2.gz GDFWRSRLPXMDLC-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363576744 345798235 /nfs/dbraw/zinc/79/82/35/345798235.db2.gz CPUYYNNVOGNHHE-YIYPIFLZSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363576744 345798240 /nfs/dbraw/zinc/79/82/40/345798240.db2.gz CPUYYNNVOGNHHE-YIYPIFLZSA-N 1 3 238.375 1.173 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000563268596 323107171 /nfs/dbraw/zinc/10/71/71/323107171.db2.gz NCTSPJLLKYKPTC-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000563268596 323107172 /nfs/dbraw/zinc/10/71/72/323107172.db2.gz NCTSPJLLKYKPTC-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](CC(C)C)C1 ZINC000563268596 323107173 /nfs/dbraw/zinc/10/71/73/323107173.db2.gz NCTSPJLLKYKPTC-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO Cc1ncc(CNCC2CC[NH+](C3CC3)CC2)o1 ZINC000628253521 346230405 /nfs/dbraw/zinc/23/04/05/346230405.db2.gz LUXQRTWHBGIIMO-UHFFFAOYSA-N 1 3 249.358 1.947 20 0 BDADHO CCN1CC[C@H]([NH2+]CC(C)(C)N(C)C)[C@H](C)C1 ZINC000152602002 346263815 /nfs/dbraw/zinc/26/38/15/346263815.db2.gz QQFMOCPIFYZJDS-OLZOCXBDSA-N 1 3 241.423 1.647 20 0 BDADHO CC1(CN2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000309507622 347089951 /nfs/dbraw/zinc/08/99/51/347089951.db2.gz NUJYFXMATCQABC-CYBMUJFWSA-N 1 3 208.349 1.862 20 0 BDADHO CCO[C@H](C[NH2+][C@@H]1C[C@@H](N)C1(C)C)C1CC1 ZINC000641801980 362758612 /nfs/dbraw/zinc/75/86/12/362758612.db2.gz XFNALPJJFXSNPC-IJLUTSLNSA-N 1 3 226.364 1.517 20 0 BDADHO CCO[C@H](CN[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000641801980 362758618 /nfs/dbraw/zinc/75/86/18/362758618.db2.gz XFNALPJJFXSNPC-IJLUTSLNSA-N 1 3 226.364 1.517 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121013 346682914 /nfs/dbraw/zinc/68/29/14/346682914.db2.gz LNQHZYYARYMFQB-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121013 346682916 /nfs/dbraw/zinc/68/29/16/346682916.db2.gz LNQHZYYARYMFQB-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cccc(OCC[NH2+][C@H]2CCCNC2)c1 ZINC000043327667 179168420 /nfs/dbraw/zinc/16/84/20/179168420.db2.gz ARXIIZBLGQRTGF-ZDUSSCGKSA-N 1 3 234.343 1.715 20 0 BDADHO COC[C@H](C)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622004613 370655761 /nfs/dbraw/zinc/65/57/61/370655761.db2.gz RERXJAPZHUGGHO-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc2c[nH]nc21 ZINC000580326333 347131604 /nfs/dbraw/zinc/13/16/04/347131604.db2.gz OJPBKWLOLSPTJG-NXEZZACHSA-N 1 3 232.331 1.778 20 0 BDADHO CCCCOCCN[C@@](C)(C[NH3+])C1CC1 ZINC000309826755 347178029 /nfs/dbraw/zinc/17/80/29/347178029.db2.gz XMBHTQDCLRTWJK-LBPRGKRZSA-N 1 3 214.353 1.520 20 0 BDADHO COC(=O)CCCC[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000601328003 347213572 /nfs/dbraw/zinc/21/35/72/347213572.db2.gz DCNZAMMRSFCVCK-YPMHNXCESA-N 1 3 240.347 1.061 20 0 BDADHO COC[C@@H](C)CN(C)CCC[NH+](C)C ZINC000518804722 323142659 /nfs/dbraw/zinc/14/26/59/323142659.db2.gz ZSSWHAYWHIDGKH-NSHDSACASA-N 1 3 202.342 1.152 20 0 BDADHO O=c1ccc(CNC2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000392670714 347651901 /nfs/dbraw/zinc/65/19/01/347651901.db2.gz HNKBXSMFFLTYHD-UHFFFAOYSA-N 1 3 247.342 1.504 20 0 BDADHO CCSCCN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000252915095 347703158 /nfs/dbraw/zinc/70/31/58/347703158.db2.gz SLELGMBKDDXUQA-GHMZBOCLSA-N 1 3 216.394 1.799 20 0 BDADHO C[C@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000591886188 347711407 /nfs/dbraw/zinc/71/14/07/347711407.db2.gz SRQQUIUNNKFWPI-ZDUSSCGKSA-N 1 3 248.370 1.621 20 0 BDADHO Cc1cccnc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130917937 179378346 /nfs/dbraw/zinc/37/83/46/179378346.db2.gz VUUJMUSKLITTDT-MJBXVCDLSA-N 1 3 245.370 1.949 20 0 BDADHO C[C@@H](CCc1ccco1)NCC(C)(C)[NH3+] ZINC000309003309 323184272 /nfs/dbraw/zinc/18/42/72/323184272.db2.gz MDGICIGGGQFYPY-JTQLQIEISA-N 1 3 210.321 1.928 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000070359420 349996012 /nfs/dbraw/zinc/99/60/12/349996012.db2.gz NDHWLXADEJOHJQ-RDBSUJKOSA-N 1 3 240.391 1.874 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000596655490 348600209 /nfs/dbraw/zinc/60/02/09/348600209.db2.gz WBNHYWZQNOOEDL-IRCOFANPSA-N 1 3 242.363 1.162 20 0 BDADHO C[N@H+](C[C@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527264 490223658 /nfs/dbraw/zinc/22/36/58/490223658.db2.gz ZECZUUBFWUMMCW-RWMBFGLXSA-N 1 3 238.375 1.029 20 0 BDADHO C[N@@H+](C[C@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C)C1CC1 ZINC000351527264 490223662 /nfs/dbraw/zinc/22/36/62/490223662.db2.gz ZECZUUBFWUMMCW-RWMBFGLXSA-N 1 3 238.375 1.029 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000250518175 349174933 /nfs/dbraw/zinc/17/49/33/349174933.db2.gz RMVQYHBINMRXKQ-UONOGXRCSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H](C)COC)C1 ZINC000253130513 349225132 /nfs/dbraw/zinc/22/51/32/349225132.db2.gz VSUAQYXDVSQKOS-RYUDHWBXSA-N 1 3 214.353 1.200 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530214977 323216971 /nfs/dbraw/zinc/21/69/71/323216971.db2.gz ZNTWYSUYSHDCSF-IHRRRGAJSA-N 1 3 240.391 1.910 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CCCN)C12CCCC2 ZINC000082945701 349349794 /nfs/dbraw/zinc/34/97/94/349349794.db2.gz RIJRECGOLWECED-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH3+])C12CCCC2 ZINC000082945701 349349798 /nfs/dbraw/zinc/34/97/98/349349798.db2.gz RIJRECGOLWECED-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623524996 362945547 /nfs/dbraw/zinc/94/55/47/362945547.db2.gz ROBSJLHKUVCADH-RYUDHWBXSA-N 1 3 227.396 1.399 20 0 BDADHO COC[C@@H](C)C[NH2+][C@H]1CCNCC1(C)C ZINC000300914675 349429353 /nfs/dbraw/zinc/42/93/53/349429353.db2.gz XVKYVXGTAYIPII-QWRGUYRKSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)CN(C)C ZINC000623530250 362949798 /nfs/dbraw/zinc/94/97/98/362949798.db2.gz RIYNLJQEFPPHPT-QWHCGFSZSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCOC1 ZINC000132248988 191028885 /nfs/dbraw/zinc/02/88/85/191028885.db2.gz YBMINTWUQYJWDN-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CCOC1 ZINC000334278666 538062620 /nfs/dbraw/zinc/06/26/20/538062620.db2.gz POMUBUSWROSZCU-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CCOC1 ZINC000334278666 538062625 /nfs/dbraw/zinc/06/26/25/538062625.db2.gz POMUBUSWROSZCU-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427128213 191053973 /nfs/dbraw/zinc/05/39/73/191053973.db2.gz KACBPKBLXWCOPV-RYUDHWBXSA-N 1 3 226.364 1.343 20 0 BDADHO Cc1ncc(CN(C)CC2CC[NH2+]CC2)s1 ZINC000086701577 180138792 /nfs/dbraw/zinc/13/87/92/180138792.db2.gz HXALRLCKGNFHBW-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)COC)C1 ZINC000151140529 191059446 /nfs/dbraw/zinc/05/94/46/191059446.db2.gz SNOQTMKNSNAEAM-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)COC)C1 ZINC000151140529 191059449 /nfs/dbraw/zinc/05/94/49/191059449.db2.gz SNOQTMKNSNAEAM-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000151140529 191059450 /nfs/dbraw/zinc/05/94/50/191059450.db2.gz SNOQTMKNSNAEAM-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO Cc1nccn1CCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336701234 180251278 /nfs/dbraw/zinc/25/12/78/180251278.db2.gz HLTCRXIVKWTVPA-CQSZACIVSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336701234 180251279 /nfs/dbraw/zinc/25/12/79/180251279.db2.gz HLTCRXIVKWTVPA-CQSZACIVSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000336701234 180251280 /nfs/dbraw/zinc/25/12/80/180251280.db2.gz HLTCRXIVKWTVPA-CQSZACIVSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CC[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000336701234 180251281 /nfs/dbraw/zinc/25/12/81/180251281.db2.gz HLTCRXIVKWTVPA-CQSZACIVSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1ncsc1CCN1CC[C@H](C[NH3+])C1 ZINC000050285440 180308952 /nfs/dbraw/zinc/30/89/52/180308952.db2.gz SUGCGKQPQXACSW-SNVBAGLBSA-N 1 3 225.361 1.275 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCN(C)C)CN1C1CC1 ZINC000132005712 191101333 /nfs/dbraw/zinc/10/13/33/191101333.db2.gz JKVYEHQRRVTDML-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCC[C@@H]2O)CC[C@@H]1[NH3+] ZINC000328218632 350393699 /nfs/dbraw/zinc/39/36/99/350393699.db2.gz XRXZPDBSYHRCPX-VOAKCMCISA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@@H]1N ZINC000328218632 350393703 /nfs/dbraw/zinc/39/37/03/350393703.db2.gz XRXZPDBSYHRCPX-VOAKCMCISA-N 1 3 226.364 1.207 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)CC[C@@H]1N ZINC000328218632 350393704 /nfs/dbraw/zinc/39/37/04/350393704.db2.gz XRXZPDBSYHRCPX-VOAKCMCISA-N 1 3 226.364 1.207 20 0 BDADHO CC[NH+]1CCC(N(C)CCSC)CC1 ZINC000336673099 350431361 /nfs/dbraw/zinc/43/13/61/350431361.db2.gz OJEJUPASSSWWQN-UHFFFAOYSA-N 1 3 216.394 1.766 20 0 BDADHO CC(C)C[NH+]1CCC(OCCN(C)C)CC1 ZINC000336680447 350440141 /nfs/dbraw/zinc/44/01/41/350440141.db2.gz QGPIFAILVUSANE-UHFFFAOYSA-N 1 3 228.380 1.685 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCCCCO)CC[C@H]21 ZINC000227342745 350493191 /nfs/dbraw/zinc/49/31/91/350493191.db2.gz JZZMLWICWPFGCU-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCCCCO)CC[C@H]21 ZINC000227342745 350493194 /nfs/dbraw/zinc/49/31/94/350493194.db2.gz JZZMLWICWPFGCU-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1C[C@H](NCc2cc[nH]c2)CC[N@@H+]1C ZINC000094755100 350607232 /nfs/dbraw/zinc/60/72/32/350607232.db2.gz BGZZXNKGLNADOO-CMPLNLGQSA-N 1 3 207.321 1.587 20 0 BDADHO C[C@H]1C[C@H](NCc2cc[nH]c2)CC[N@H+]1C ZINC000094755100 350607235 /nfs/dbraw/zinc/60/72/35/350607235.db2.gz BGZZXNKGLNADOO-CMPLNLGQSA-N 1 3 207.321 1.587 20 0 BDADHO CCCC[C@@H](COC)NC[C@@H](C)C[NH+](C)C ZINC000336676657 350882984 /nfs/dbraw/zinc/88/29/84/350882984.db2.gz BVTGXGPTCVMQMJ-OLZOCXBDSA-N 1 3 230.396 1.979 20 0 BDADHO C[C@H](O)C1(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351371 351313415 /nfs/dbraw/zinc/31/34/15/351313415.db2.gz CSYNVZDVLOOOEC-WDEREUQCSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](O)C1(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351371 351313416 /nfs/dbraw/zinc/31/34/16/351313416.db2.gz CSYNVZDVLOOOEC-WDEREUQCSA-N 1 3 226.364 1.362 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000637800265 351635307 /nfs/dbraw/zinc/63/53/07/351635307.db2.gz COSAQOMZXPJBAL-CYBMUJFWSA-N 1 3 249.358 1.847 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000637816454 351655927 /nfs/dbraw/zinc/65/59/27/351655927.db2.gz LWPBXQYHLYOOMB-NWDGAFQWSA-N 1 3 241.379 1.090 20 0 BDADHO CCN[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000637857450 351718103 /nfs/dbraw/zinc/71/81/03/351718103.db2.gz WKYYMYVQTNWMIB-ZJUUUORDSA-N 1 3 235.331 1.643 20 0 BDADHO [NH3+][C@H]1C[C@@H](C(=O)Nc2cccc3c2CCNC3)C1 ZINC000577753611 366055226 /nfs/dbraw/zinc/05/52/26/366055226.db2.gz USFAYZVQSLGVHA-PHIMTYICSA-N 1 3 245.326 1.008 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000638088412 351965562 /nfs/dbraw/zinc/96/55/62/351965562.db2.gz CEWLHMFPYDQHQF-PDWCTOEPSA-N 1 3 220.360 1.716 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000638088412 351965567 /nfs/dbraw/zinc/96/55/67/351965567.db2.gz CEWLHMFPYDQHQF-PDWCTOEPSA-N 1 3 220.360 1.716 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638427363 352235800 /nfs/dbraw/zinc/23/58/00/352235800.db2.gz HPPJJTFJSJFFBY-VXGBXAGGSA-N 1 3 243.395 1.240 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638452236 352262074 /nfs/dbraw/zinc/26/20/74/352262074.db2.gz VVVOSTJXQLJWAY-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@]1(C[NH2+]C[C@H]2CCSC2)CCCNC1 ZINC000414918268 352273539 /nfs/dbraw/zinc/27/35/39/352273539.db2.gz UCRJJGQASZBBOQ-VXGBXAGGSA-N 1 3 228.405 1.719 20 0 BDADHO CC[NH+]1CCC(N[C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000340451598 352369681 /nfs/dbraw/zinc/36/96/81/352369681.db2.gz ZFPWKJHNYXBEAV-NSHDSACASA-N 1 3 249.358 1.922 20 0 BDADHO C(CN1CCO[C@@H]2CCC[C@H]21)C1CC[NH2+]CC1 ZINC000043425689 352637454 /nfs/dbraw/zinc/63/74/54/352637454.db2.gz RDXMTKJGSMBUBN-ZIAGYGMSSA-N 1 3 238.375 1.629 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@H]2CCC[C@@H]21 ZINC000043427979 352637568 /nfs/dbraw/zinc/63/75/68/352637568.db2.gz NSKJYGFQPCMRSK-STQMWFEESA-N 1 3 224.348 1.239 20 0 BDADHO Cc1cccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c1 ZINC000422810951 192476667 /nfs/dbraw/zinc/47/66/67/192476667.db2.gz VAKHVAHCXXZXLX-AEGPPILISA-N 1 3 248.370 1.837 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CCCN1CCCCC1 ZINC000343034566 352941830 /nfs/dbraw/zinc/94/18/30/352941830.db2.gz NTKPLJQOETZULN-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C(C)C ZINC000422808599 192476131 /nfs/dbraw/zinc/47/61/31/192476131.db2.gz OOLJXUHUWNZYRR-OUAUKWLOSA-N 1 3 202.342 1.373 20 0 BDADHO C(C[NH2+]CCCN1CCCC1)C[C@@H]1CCO1 ZINC000638849593 353029781 /nfs/dbraw/zinc/02/97/81/353029781.db2.gz XDYGKDAZKKGBLT-CYBMUJFWSA-N 1 3 226.364 1.631 20 0 BDADHO CCOC1CC(C[NH2+]CCCN2CCCC2)C1 ZINC000638849644 353029793 /nfs/dbraw/zinc/02/97/93/353029793.db2.gz YMCOOPVVLJHAEW-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CCCN(C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819547 352999277 /nfs/dbraw/zinc/99/92/77/352999277.db2.gz KKGHPMIUOPFLDN-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)N(CC)CC ZINC000638934397 353097640 /nfs/dbraw/zinc/09/76/40/353097640.db2.gz HUBSQHRGPKADFK-QJPTWQEYSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](C(=O)NC1(C[NH3+])CCCCC1)N(C)C ZINC000638999204 353245907 /nfs/dbraw/zinc/24/59/07/353245907.db2.gz XZXRTEIVQBNFPK-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000230126589 353473614 /nfs/dbraw/zinc/47/36/14/353473614.db2.gz MCOXTWXUTWSZGZ-MELADBBJSA-N 1 3 231.343 1.641 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)c2cccnc2)C1 ZINC000577865696 366091530 /nfs/dbraw/zinc/09/15/30/366091530.db2.gz KIGOYIORGATVSH-MJBXVCDLSA-N 1 3 249.358 1.017 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)C1 ZINC000577865696 366091533 /nfs/dbraw/zinc/09/15/33/366091533.db2.gz KIGOYIORGATVSH-MJBXVCDLSA-N 1 3 249.358 1.017 20 0 BDADHO C[C@@H]1CN(CC[NH+]2CCCCC2)[C@@H](C)CN1C ZINC000334522796 353890702 /nfs/dbraw/zinc/89/07/02/353890702.db2.gz ZSHBDNXDGRLWTB-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CCN(CC[NH2+][C@H]1CN(CC)C[C@H]1C)C(C)C ZINC000343907991 354036529 /nfs/dbraw/zinc/03/65/29/354036529.db2.gz GYKIPJIGCZZOBM-KGLIPLIRSA-N 1 3 241.423 1.647 20 0 BDADHO CSCC[N@H+](C)CCCN(C)CCN(C)C ZINC000344029979 354093243 /nfs/dbraw/zinc/09/32/43/354093243.db2.gz BJANRICVFUIGIW-UHFFFAOYSA-N 1 3 247.452 1.165 20 0 BDADHO CSCC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344029979 354093246 /nfs/dbraw/zinc/09/32/46/354093246.db2.gz BJANRICVFUIGIW-UHFFFAOYSA-N 1 3 247.452 1.165 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449683815 202003538 /nfs/dbraw/zinc/00/35/38/202003538.db2.gz OBKINJXCALUZBK-UTUOFQBUSA-N 1 3 241.379 1.008 20 0 BDADHO Cc1ccc(CN2CCC(C[NH3+])CC2)c(C)n1 ZINC000334588818 354216298 /nfs/dbraw/zinc/21/62/98/354216298.db2.gz YUVRPRVSDXERAL-UHFFFAOYSA-N 1 3 233.359 1.869 20 0 BDADHO CC(C)COCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000232672387 363378879 /nfs/dbraw/zinc/37/88/79/363378879.db2.gz DQZMEJYTCNNYNW-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO C[N@H+](CCCCCO)C[C@@H]1CCCNC1 ZINC000234262187 363418838 /nfs/dbraw/zinc/41/88/38/363418838.db2.gz VCVOVWNEBRPVOB-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO C[N@@H+](CCCCCO)C[C@@H]1CCCNC1 ZINC000234262187 363418839 /nfs/dbraw/zinc/41/88/39/363418839.db2.gz VCVOVWNEBRPVOB-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CN(CCCCCO)C[C@@H]1CCC[NH2+]C1 ZINC000234262187 363418841 /nfs/dbraw/zinc/41/88/41/363418841.db2.gz VCVOVWNEBRPVOB-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO C[NH+](C)CCSCCN1CCCOCC1 ZINC000413000510 191334296 /nfs/dbraw/zinc/33/42/96/191334296.db2.gz PICQVGQRTDGHKP-UHFFFAOYSA-N 1 3 232.393 1.004 20 0 BDADHO CC[C@H](CN1CC[C@@H](C[N@H+](C)CC)C1)OC ZINC000412975242 191346234 /nfs/dbraw/zinc/34/62/34/191346234.db2.gz DUBJIQYLQNRGMA-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](CN1CC[C@@H](C[N@@H+](C)CC)C1)OC ZINC000412975242 191346237 /nfs/dbraw/zinc/34/62/37/191346237.db2.gz DUBJIQYLQNRGMA-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000412975242 191346240 /nfs/dbraw/zinc/34/62/40/191346240.db2.gz DUBJIQYLQNRGMA-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@@H](CN(C)CC)C1)OC ZINC000412975242 191346241 /nfs/dbraw/zinc/34/62/41/191346241.db2.gz DUBJIQYLQNRGMA-QWHCGFSZSA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113514672 355250836 /nfs/dbraw/zinc/25/08/36/355250836.db2.gz OTHNUMFFPXYTBH-GFCCVEGCSA-N 1 3 214.353 1.295 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113514672 355250837 /nfs/dbraw/zinc/25/08/37/355250837.db2.gz OTHNUMFFPXYTBH-GFCCVEGCSA-N 1 3 214.353 1.295 20 0 BDADHO CCOC(=O)CCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000113515303 355251808 /nfs/dbraw/zinc/25/18/08/355251808.db2.gz CHJGJYPXIQBRGU-LBPRGKRZSA-N 1 3 242.363 1.213 20 0 BDADHO CCOC(=O)CCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000113515303 355251810 /nfs/dbraw/zinc/25/18/10/355251810.db2.gz CHJGJYPXIQBRGU-LBPRGKRZSA-N 1 3 242.363 1.213 20 0 BDADHO CCN1C[C@@H](C)[C@@H](NCCC[NH+](CC)CC)C1 ZINC000347664110 355255160 /nfs/dbraw/zinc/25/51/60/355255160.db2.gz OUUBWNIOEFUOPT-KGLIPLIRSA-N 1 3 241.423 1.648 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000191205414 355347594 /nfs/dbraw/zinc/34/75/94/355347594.db2.gz SPEJUXBDBMSOIX-WRWGMCAJSA-N 1 3 214.353 1.340 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000191205414 355347597 /nfs/dbraw/zinc/34/75/97/355347597.db2.gz SPEJUXBDBMSOIX-WRWGMCAJSA-N 1 3 214.353 1.340 20 0 BDADHO CC(C)[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703094 535285640 /nfs/dbraw/zinc/28/56/40/535285640.db2.gz GJKWZWNUHFLVLG-MELADBBJSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703094 535285644 /nfs/dbraw/zinc/28/56/44/535285644.db2.gz GJKWZWNUHFLVLG-MELADBBJSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000415031263 191657590 /nfs/dbraw/zinc/65/75/90/191657590.db2.gz GCIPPCQVBPPJOS-RZFFKMDDSA-N 1 3 230.355 1.673 20 0 BDADHO CC(C)CCCNC[C@@H]1C[NH2+]CCCO1 ZINC000415030063 191657991 /nfs/dbraw/zinc/65/79/91/191657991.db2.gz BSDCSGFNZUQQOQ-GFCCVEGCSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@@H]1CCCOC1 ZINC000389098022 355659430 /nfs/dbraw/zinc/65/94/30/355659430.db2.gz RCEUSYZELPDDGD-REWJHTLYSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000389142722 355730684 /nfs/dbraw/zinc/73/06/84/355730684.db2.gz YQSFNXBNEBBDNR-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000639347745 355794712 /nfs/dbraw/zinc/79/47/12/355794712.db2.gz PIIUZNXOGJVXAO-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](CNC[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347745 355794715 /nfs/dbraw/zinc/79/47/15/355794715.db2.gz PIIUZNXOGJVXAO-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@@H](CNC[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347745 355794721 /nfs/dbraw/zinc/79/47/21/355794721.db2.gz PIIUZNXOGJVXAO-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000639347744 355794941 /nfs/dbraw/zinc/79/49/41/355794941.db2.gz PIIUZNXOGJVXAO-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CNC[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000639347744 355794943 /nfs/dbraw/zinc/79/49/43/355794943.db2.gz PIIUZNXOGJVXAO-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CO[C@H](CNC[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000639347744 355794948 /nfs/dbraw/zinc/79/49/48/355794948.db2.gz PIIUZNXOGJVXAO-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COc1ccc(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000216022073 355796640 /nfs/dbraw/zinc/79/66/40/355796640.db2.gz DHDHXXOSFZCFAD-DGCLKSJQSA-N 1 3 234.343 1.864 20 0 BDADHO C/C=C/CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639352250 355801080 /nfs/dbraw/zinc/80/10/80/355801080.db2.gz FPGDKXNPRHDRHQ-SNAWJCMRSA-N 1 3 226.364 1.387 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000167322975 355991112 /nfs/dbraw/zinc/99/11/12/355991112.db2.gz LHQXKQGUUUQKFD-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000167322975 355991115 /nfs/dbraw/zinc/99/11/15/355991115.db2.gz LHQXKQGUUUQKFD-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCN(C)c2ccccc2)C1 ZINC000351863476 356100820 /nfs/dbraw/zinc/10/08/20/356100820.db2.gz UBWTYRIOBSURGO-KGLIPLIRSA-N 1 3 247.386 1.792 20 0 BDADHO CCN(C)C(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000420295995 192204902 /nfs/dbraw/zinc/20/49/02/192204902.db2.gz WKKMNHIGVYEGDG-GFCCVEGCSA-N 1 3 243.395 1.160 20 0 BDADHO CC[NH2+]CC1CCN(Cc2ccnc(N)c2)CC1 ZINC000420288072 192200686 /nfs/dbraw/zinc/20/06/86/192200686.db2.gz IPMLTJYSZMIPTQ-UHFFFAOYSA-N 1 3 248.374 1.316 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCc2ccncc2)C1 ZINC000420305512 192209483 /nfs/dbraw/zinc/20/94/83/192209483.db2.gz KKEZKQSIEJNQDL-TZMCWYRMSA-N 1 3 233.359 1.683 20 0 BDADHO CC(C)[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000420370114 192228368 /nfs/dbraw/zinc/22/83/68/192228368.db2.gz YLWFBXLAKBPDSI-CHWSQXEVSA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@H](c1ccccc1)N(C)C[C@H](O)C[NH3+] ZINC000420357688 192219056 /nfs/dbraw/zinc/21/90/56/192219056.db2.gz SLLCRVMFVPKMCD-CHWSQXEVSA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@H](c1ccccc1)[N@H+](C)C[C@H](O)CN ZINC000420357688 192219059 /nfs/dbraw/zinc/21/90/59/192219059.db2.gz SLLCRVMFVPKMCD-CHWSQXEVSA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)CN ZINC000420357688 192219060 /nfs/dbraw/zinc/21/90/60/192219060.db2.gz SLLCRVMFVPKMCD-CHWSQXEVSA-N 1 3 222.332 1.389 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NCCOCC1CC1 ZINC000420356356 192219468 /nfs/dbraw/zinc/21/94/68/192219468.db2.gz GGMYDKUUVBKHQT-LLVKDONJSA-N 1 3 214.353 1.376 20 0 BDADHO Cc1ncsc1CCN[C@H](C[NH3+])C(C)(C)C ZINC000420357842 192220821 /nfs/dbraw/zinc/22/08/21/192220821.db2.gz HWXJVRCMNDSJAJ-LLVKDONJSA-N 1 3 241.404 1.957 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000420383701 192235290 /nfs/dbraw/zinc/23/52/90/192235290.db2.gz ZWBWSHZWZBUKBO-OBJOEFQTSA-N 1 3 237.391 1.282 20 0 BDADHO CC(C)C[C@H]1OCCC[C@@H]1NCC[NH3+] ZINC000420404955 192238471 /nfs/dbraw/zinc/23/84/71/192238471.db2.gz MMNUCOFQZSRLSS-WDEREUQCSA-N 1 3 200.326 1.128 20 0 BDADHO FCCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420409947 192239506 /nfs/dbraw/zinc/23/95/06/192239506.db2.gz XRTGPZVEICGTFY-NEPJUHHUSA-N 1 3 214.328 1.810 20 0 BDADHO [NH3+]CCCN[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000420416813 192240294 /nfs/dbraw/zinc/24/02/94/192240294.db2.gz VXOFAYZGIGQBRG-UONOGXRCSA-N 1 3 234.343 1.703 20 0 BDADHO C[C@@H]1CCN(CCCc2ccncc2)C[C@@H]1C[NH3+] ZINC000420421839 192241695 /nfs/dbraw/zinc/24/16/95/192241695.db2.gz YVMMEHNWAAZXJB-HIFRSBDPSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@@H]1CC[N@H+](CCCc2ccncc2)C[C@@H]1CN ZINC000420421839 192241697 /nfs/dbraw/zinc/24/16/97/192241697.db2.gz YVMMEHNWAAZXJB-HIFRSBDPSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@@H]1CC[N@@H+](CCCc2ccncc2)C[C@@H]1CN ZINC000420421839 192241698 /nfs/dbraw/zinc/24/16/98/192241698.db2.gz YVMMEHNWAAZXJB-HIFRSBDPSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@H]1CCN(CCCc2ccncc2)C[C@@H]1C[NH3+] ZINC000420421843 192242088 /nfs/dbraw/zinc/24/20/88/192242088.db2.gz YVMMEHNWAAZXJB-ZFWWWQNUSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@H]1CC[N@H+](CCCc2ccncc2)C[C@@H]1CN ZINC000420421843 192242089 /nfs/dbraw/zinc/24/20/89/192242089.db2.gz YVMMEHNWAAZXJB-ZFWWWQNUSA-N 1 3 247.386 1.931 20 0 BDADHO C[C@H]1CC[N@@H+](CCCc2ccncc2)C[C@@H]1CN ZINC000420421843 192242091 /nfs/dbraw/zinc/24/20/91/192242091.db2.gz YVMMEHNWAAZXJB-ZFWWWQNUSA-N 1 3 247.386 1.931 20 0 BDADHO CC[C@@H]1CN(CC[NH3+])CCN1Cc1ccccc1 ZINC000420375498 192231167 /nfs/dbraw/zinc/23/11/67/192231167.db2.gz POEGXPJWKZYGDC-OAHLLOKOSA-N 1 3 247.386 1.542 20 0 BDADHO C[C@H](NCCOCC[NH3+])c1ccc(Cl)cc1 ZINC000420375273 192231359 /nfs/dbraw/zinc/23/13/59/192231359.db2.gz PCBBEIKTAXLBBW-JTQLQIEISA-N 1 3 242.750 1.966 20 0 BDADHO Cc1cnn(CCN[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000420373502 192232124 /nfs/dbraw/zinc/23/21/24/192232124.db2.gz ZJNBZOUHDJONFC-NSHDSACASA-N 1 3 224.352 1.155 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612816 356536980 /nfs/dbraw/zinc/53/69/80/356536980.db2.gz NNBDIXPDVAXQTP-ZDUSSCGKSA-N 1 3 249.358 1.703 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612816 356536983 /nfs/dbraw/zinc/53/69/83/356536983.db2.gz NNBDIXPDVAXQTP-ZDUSSCGKSA-N 1 3 249.358 1.703 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOC(F)(F)F ZINC000423067916 192557872 /nfs/dbraw/zinc/55/78/72/192557872.db2.gz ISWUYWOLHPJKOT-BDAKNGLRSA-N 1 3 240.269 1.501 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131420 192580471 /nfs/dbraw/zinc/58/04/71/192580471.db2.gz SVMGAPUCXBKICZ-QNWHQSFQSA-N 1 3 228.380 1.501 20 0 BDADHO CCC[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000450402267 202156445 /nfs/dbraw/zinc/15/64/45/202156445.db2.gz KQJNNGFGAXAYCL-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CCC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000450468771 202174879 /nfs/dbraw/zinc/17/48/79/202174879.db2.gz PFARACSTLQSAIV-IHRRRGAJSA-N 1 3 242.407 1.952 20 0 BDADHO CCC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000450468771 202174881 /nfs/dbraw/zinc/17/48/81/202174881.db2.gz PFARACSTLQSAIV-IHRRRGAJSA-N 1 3 242.407 1.952 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623361121 356807409 /nfs/dbraw/zinc/80/74/09/356807409.db2.gz OCRANHDHEUOCHC-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623361121 356807411 /nfs/dbraw/zinc/80/74/11/356807411.db2.gz OCRANHDHEUOCHC-LLVKDONJSA-N 1 3 214.353 1.485 20 0 BDADHO C[N@@H+]1CC[C@@H](NCCn2cccn2)CC1(C)C ZINC000623371794 356881016 /nfs/dbraw/zinc/88/10/16/356881016.db2.gz SVSYVEHLCXEKGL-GFCCVEGCSA-N 1 3 236.363 1.346 20 0 BDADHO C[N@H+]1CC[C@@H](NCCn2cccn2)CC1(C)C ZINC000623371794 356881020 /nfs/dbraw/zinc/88/10/20/356881020.db2.gz SVSYVEHLCXEKGL-GFCCVEGCSA-N 1 3 236.363 1.346 20 0 BDADHO CNCCC[NH2+]C1CCC(COC)CC1 ZINC000423198716 192623265 /nfs/dbraw/zinc/62/32/65/192623265.db2.gz HLHLCFHJSVJVAF-UHFFFAOYSA-N 1 3 214.353 1.391 20 0 BDADHO COCC1(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000656200540 538784387 /nfs/dbraw/zinc/78/43/87/538784387.db2.gz ORRRXNMIHKYEQZ-NEPJUHHUSA-N 1 3 226.364 1.391 20 0 BDADHO [NH3+]CCCOC1CCN(CC2(F)CC2)CC1 ZINC000582420745 357143931 /nfs/dbraw/zinc/14/39/31/357143931.db2.gz HMXRGJKURLRZBV-UHFFFAOYSA-N 1 3 230.327 1.318 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000391185251 357125196 /nfs/dbraw/zinc/12/51/96/357125196.db2.gz VWDWVHPODIWASR-GHMZBOCLSA-N 1 3 239.388 1.935 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCCc2nccs2)C1 ZINC000391185251 357125202 /nfs/dbraw/zinc/12/52/02/357125202.db2.gz VWDWVHPODIWASR-GHMZBOCLSA-N 1 3 239.388 1.935 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@@H]2O)C[C@@H]1CN ZINC000393358736 357307955 /nfs/dbraw/zinc/30/79/55/357307955.db2.gz RNTPFJANOVWFOQ-RFGFWPKPSA-N 1 3 240.391 1.454 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C[C@@H]1CN ZINC000393358736 357307958 /nfs/dbraw/zinc/30/79/58/357307958.db2.gz RNTPFJANOVWFOQ-RFGFWPKPSA-N 1 3 240.391 1.454 20 0 BDADHO COc1ccc2c(c1)[C@@H](NC[C@@H](C)C[NH3+])CC2 ZINC000423297147 192686297 /nfs/dbraw/zinc/68/62/97/192686297.db2.gz IYSDTCSNJZVZMQ-HZMBPMFUSA-N 1 3 234.343 1.867 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000394034326 357316098 /nfs/dbraw/zinc/31/60/98/357316098.db2.gz FTOHIZXBCRVECE-SDDRHHMPSA-N 1 3 214.353 1.110 20 0 BDADHO Cc1cnccc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582857290 357421717 /nfs/dbraw/zinc/42/17/17/357421717.db2.gz ZOZMJAVBSPEBLT-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cnccc1CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000582857290 357421721 /nfs/dbraw/zinc/42/17/21/357421721.db2.gz ZOZMJAVBSPEBLT-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO COC[C@H](C)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397313917 357512417 /nfs/dbraw/zinc/51/24/17/357512417.db2.gz PXOQJIWPRWXAPD-XQHKEYJVSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397313917 357512422 /nfs/dbraw/zinc/51/24/22/357512422.db2.gz PXOQJIWPRWXAPD-XQHKEYJVSA-N 1 3 228.380 1.574 20 0 BDADHO CCN(CCC[NH+](C)C)C(=O)[C@H](N)C(C)(C)C ZINC000230710740 357573047 /nfs/dbraw/zinc/57/30/47/357573047.db2.gz JAALGCYIFDKHIA-NSHDSACASA-N 1 3 243.395 1.160 20 0 BDADHO C[C@H]1C[C@H](NCCc2cscn2)CC[N@@H+]1C ZINC000158882235 538869680 /nfs/dbraw/zinc/86/96/80/538869680.db2.gz CUMQIWGKGCUHRH-WDEREUQCSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H]1C[C@H](NCCc2cscn2)CC[N@H+]1C ZINC000158882235 538869684 /nfs/dbraw/zinc/86/96/84/538869684.db2.gz CUMQIWGKGCUHRH-WDEREUQCSA-N 1 3 239.388 1.758 20 0 BDADHO CC[C@H](C)[C@@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416862 357860396 /nfs/dbraw/zinc/86/03/96/357860396.db2.gz KDSANHGEKWJESO-AVGNSLFASA-N 1 3 242.407 1.856 20 0 BDADHO CC[C@H](C)[C@@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416862 357860399 /nfs/dbraw/zinc/86/03/99/357860399.db2.gz KDSANHGEKWJESO-AVGNSLFASA-N 1 3 242.407 1.856 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCOCCN(C)C ZINC000235302464 357864117 /nfs/dbraw/zinc/86/41/17/357864117.db2.gz VECMBENHEHKVRI-CHWSQXEVSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@]1(CO)CCCN1CCC[NH+]1CCCC1 ZINC000546104729 325265291 /nfs/dbraw/zinc/26/52/91/325265291.db2.gz NXBZETOBJSSQFV-ZDUSSCGKSA-N 1 3 226.364 1.319 20 0 BDADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)N(C)C1CC1 ZINC000217536554 134248171 /nfs/dbraw/zinc/24/81/71/134248171.db2.gz YUYHNMXRYUNXOX-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](CCc1ccco1)NCC[C@H](C)[NH3+] ZINC000584584750 358097645 /nfs/dbraw/zinc/09/76/45/358097645.db2.gz NZWSMUPFYZNLBE-WDEREUQCSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@H](CCc1ccco1)[NH2+]CC[C@H](C)N ZINC000584584750 358097646 /nfs/dbraw/zinc/09/76/46/358097646.db2.gz NZWSMUPFYZNLBE-WDEREUQCSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@H]1CC[C@H](C[N@H+](C)C2CCNCC2)O1 ZINC000232018122 491123777 /nfs/dbraw/zinc/12/37/77/491123777.db2.gz AJZYNOCKPXLSPA-CMPLNLGQSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@H]1CC[C@H](C[N@@H+](C)C2CCNCC2)O1 ZINC000232018122 491123778 /nfs/dbraw/zinc/12/37/78/491123778.db2.gz AJZYNOCKPXLSPA-CMPLNLGQSA-N 1 3 212.337 1.238 20 0 BDADHO CC(C)O[C@@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000584777555 358175772 /nfs/dbraw/zinc/17/57/72/358175772.db2.gz FOERFYBHLGDHSK-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)O[C@@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000584777555 358175775 /nfs/dbraw/zinc/17/57/75/358175775.db2.gz FOERFYBHLGDHSK-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H](CO)[C@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000450736279 202246993 /nfs/dbraw/zinc/24/69/93/202246993.db2.gz FCWLHOYLGMWJQY-WOPDTQHZSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000228334602 358374123 /nfs/dbraw/zinc/37/41/23/358374123.db2.gz PQNTXFRNHFLKMN-MNOVXSKESA-N 1 3 241.379 1.151 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000228334602 358374126 /nfs/dbraw/zinc/37/41/26/358374126.db2.gz PQNTXFRNHFLKMN-MNOVXSKESA-N 1 3 241.379 1.151 20 0 BDADHO C[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000227570020 358359472 /nfs/dbraw/zinc/35/94/72/358359472.db2.gz CHNCINJCUVGBMF-HBNTYKKESA-N 1 3 200.326 1.007 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCCC1(C)C ZINC000219310060 134281253 /nfs/dbraw/zinc/28/12/53/134281253.db2.gz HKINSNSHZYJJJG-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](CC[NH+](C)C)NC(=O)C1(N)CCCCC1 ZINC000049559725 358694879 /nfs/dbraw/zinc/69/48/79/358694879.db2.gz ATEIJWSGEGNBFZ-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000049773528 358700389 /nfs/dbraw/zinc/70/03/89/358700389.db2.gz XTWZNTCZGIEMQK-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000049773528 358700391 /nfs/dbraw/zinc/70/03/91/358700391.db2.gz XTWZNTCZGIEMQK-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CCC[C@H](O)CNC1CC[NH+](CCC)CC1 ZINC000133558159 358758701 /nfs/dbraw/zinc/75/87/01/358758701.db2.gz XAXYPBANVQAAOK-ZDUSSCGKSA-N 1 3 228.380 1.611 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@H](CO)C1 ZINC000051887363 358765707 /nfs/dbraw/zinc/76/57/07/358765707.db2.gz AFBUHSODFOFKFZ-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@H](CO)C1 ZINC000051887363 358765712 /nfs/dbraw/zinc/76/57/12/358765712.db2.gz AFBUHSODFOFKFZ-STQMWFEESA-N 1 3 226.364 1.175 20 0 BDADHO CO[C@H](C)[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000132247764 358714024 /nfs/dbraw/zinc/71/40/24/358714024.db2.gz NXRFOZHTJZBVFP-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CNCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000578324049 366512816 /nfs/dbraw/zinc/51/28/16/366512816.db2.gz HKNCSHDTFIEIPA-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)CC[C@H](C)[NH3+] ZINC000070316995 359049798 /nfs/dbraw/zinc/04/97/98/359049798.db2.gz GEQYZYDEGXPNQK-LBPRGKRZSA-N 1 3 243.395 1.160 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)C[NH3+])C[C@@H]1OC ZINC000423320482 192704764 /nfs/dbraw/zinc/70/47/64/192704764.db2.gz GQJAVDVKHNEHAQ-MXWKQRLJSA-N 1 3 214.353 1.517 20 0 BDADHO CC(C)OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248182664 359258128 /nfs/dbraw/zinc/25/81/28/359258128.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248182664 359258131 /nfs/dbraw/zinc/25/81/31/359258131.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248182664 359258133 /nfs/dbraw/zinc/25/81/33/359258133.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 1 3 240.391 1.828 20 0 BDADHO CN(CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)O ZINC000075861029 359230181 /nfs/dbraw/zinc/23/01/81/359230181.db2.gz ZCFHIGPKZPKTTO-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CN(CC[C@H]1CCCC[N@H+]1C)CC(C)(C)O ZINC000075861029 359230183 /nfs/dbraw/zinc/23/01/83/359230183.db2.gz ZCFHIGPKZPKTTO-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CC(C)OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248182664 359258127 /nfs/dbraw/zinc/25/81/27/359258127.db2.gz WRYCUMFPGAYTPL-KBPBESRZSA-N 1 3 240.391 1.828 20 0 BDADHO C[N@@H+]1CC[C@H](NCC2(CO)CC2)CC1(C)C ZINC000623438109 359331432 /nfs/dbraw/zinc/33/14/32/359331432.db2.gz LTAOGERTLRGXEY-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO C[N@H+]1CC[C@H](NCC2(CO)CC2)CC1(C)C ZINC000623438109 359331436 /nfs/dbraw/zinc/33/14/36/359331436.db2.gz LTAOGERTLRGXEY-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](NCCC[C@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477563 192787846 /nfs/dbraw/zinc/78/78/46/192787846.db2.gz KAZCUCGWWUVCHS-RYUDHWBXSA-N 1 3 236.363 1.603 20 0 BDADHO CC[C@@H](C)N(C)C[C@@H](O)C[N@H+](C)CC ZINC000379540862 359540390 /nfs/dbraw/zinc/54/03/90/359540390.db2.gz PHPGTKSGXMCGDJ-MNOVXSKESA-N 1 3 202.342 1.029 20 0 BDADHO CC[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)CC ZINC000379540862 359540393 /nfs/dbraw/zinc/54/03/93/359540393.db2.gz PHPGTKSGXMCGDJ-MNOVXSKESA-N 1 3 202.342 1.029 20 0 BDADHO CCCN(CC)C[C@@H](O)C[N@H+](C)CC ZINC000379545402 359541517 /nfs/dbraw/zinc/54/15/17/359541517.db2.gz VYOGZGFIGLMDQE-NSHDSACASA-N 1 3 202.342 1.031 20 0 BDADHO CCCN(CC)C[C@@H](O)C[N@@H+](C)CC ZINC000379545402 359541518 /nfs/dbraw/zinc/54/15/18/359541518.db2.gz VYOGZGFIGLMDQE-NSHDSACASA-N 1 3 202.342 1.031 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000089139538 359991690 /nfs/dbraw/zinc/99/16/90/359991690.db2.gz QCQYJKVQQQKFPC-JSGCOSHPSA-N 1 3 233.359 1.731 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCc1ccccn1 ZINC000089139538 359991692 /nfs/dbraw/zinc/99/16/92/359991692.db2.gz QCQYJKVQQQKFPC-JSGCOSHPSA-N 1 3 233.359 1.731 20 0 BDADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCCCn1ccnc1 ZINC000093462943 360245414 /nfs/dbraw/zinc/24/54/14/360245414.db2.gz QUUWFZNILAUGIS-STQMWFEESA-N 1 3 236.363 1.393 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H](C)CC1CCOCC1 ZINC000629390615 361044155 /nfs/dbraw/zinc/04/41/55/361044155.db2.gz VAPOENUXYIOUAR-FPMFFAJLSA-N 1 3 240.391 1.922 20 0 BDADHO Cc1ccc(F)cc1CNCCOCCC[NH3+] ZINC000629399187 361046514 /nfs/dbraw/zinc/04/65/14/361046514.db2.gz NTVIGAAIEARIPZ-UHFFFAOYSA-N 1 3 240.322 1.589 20 0 BDADHO CCc1ccc(CNCCOCCC[NH3+])cc1 ZINC000629397802 361047932 /nfs/dbraw/zinc/04/79/32/361047932.db2.gz CUHHIIMINRJNRX-UHFFFAOYSA-N 1 3 236.359 1.704 20 0 BDADHO COc1ccccc1CNCCOCCC[NH3+] ZINC000629398473 361048612 /nfs/dbraw/zinc/04/86/12/361048612.db2.gz UEJIQZQUWXBRPW-UHFFFAOYSA-N 1 3 238.331 1.150 20 0 BDADHO Cc1ccc(CCC[NH2+][C@H]2CCNC[C@@H]2C)cn1 ZINC000414946348 219884806 /nfs/dbraw/zinc/88/48/06/219884806.db2.gz TVKDOWBRXDIPJN-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO CCO[C@H](CN1CCC([NH3+])CC1)C1CC1 ZINC000629510792 361108849 /nfs/dbraw/zinc/10/88/49/361108849.db2.gz UHDCEFSCQJUXSM-GFCCVEGCSA-N 1 3 212.337 1.225 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1NC1CCN(C2CC2)CC1 ZINC000629528062 361135403 /nfs/dbraw/zinc/13/54/03/361135403.db2.gz OBDYYANAMJLLQK-UONOGXRCSA-N 1 3 237.391 1.343 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000629528460 361136231 /nfs/dbraw/zinc/13/62/31/361136231.db2.gz ZPIQQDHNXRCKAF-ZOBORPQBSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cccs1 ZINC000629529191 361138839 /nfs/dbraw/zinc/13/88/39/361138839.db2.gz UWBQBNGTJCEWDM-SNVBAGLBSA-N 1 3 228.361 1.635 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cc(C)c(C)o1 ZINC000629530648 361145879 /nfs/dbraw/zinc/14/58/79/361145879.db2.gz MLNLQYDYJYRFIK-LLVKDONJSA-N 1 3 240.347 1.783 20 0 BDADHO NC1(C[NH2+][C@@H]2CCc3ccccc32)CCOCC1 ZINC000629524692 361125677 /nfs/dbraw/zinc/12/56/77/361125677.db2.gz TZBDUWIAQIAVAB-CQSZACIVSA-N 1 3 246.354 1.771 20 0 BDADHO C[C@H]([NH2+]CC1(N)CCOCC1)c1cccs1 ZINC000629525174 361125693 /nfs/dbraw/zinc/12/56/93/361125693.db2.gz YLIYZLBBWGSLCW-JTQLQIEISA-N 1 3 240.372 1.907 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)c2ccccc2)C1 ZINC000579140601 366723440 /nfs/dbraw/zinc/72/34/40/366723440.db2.gz JSQBLNDEHCLQQS-RRFJBIMHSA-N 1 3 248.370 1.622 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC000579140601 366723442 /nfs/dbraw/zinc/72/34/42/366723442.db2.gz JSQBLNDEHCLQQS-RRFJBIMHSA-N 1 3 248.370 1.622 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622044078 370676039 /nfs/dbraw/zinc/67/60/39/370676039.db2.gz UIFJDDFKJMTOGK-GUBZILKMSA-N 1 3 218.291 1.749 20 0 BDADHO CC[NH2+]CCCNC(=O)[C@H](CC)N(CC)CC ZINC000579235884 366741514 /nfs/dbraw/zinc/74/15/14/366741514.db2.gz MMDIGWHNSMPAGG-LBPRGKRZSA-N 1 3 243.395 1.223 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccccc1CO ZINC000579461593 366813318 /nfs/dbraw/zinc/81/33/18/366813318.db2.gz JZVYAGKVRPMLGK-WFASDCNBSA-N 1 3 248.370 1.786 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000629546405 361427846 /nfs/dbraw/zinc/42/78/46/361427846.db2.gz PKQGSYNZHZWANQ-BIMULSAOSA-N 1 3 208.349 1.905 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629546756 361428939 /nfs/dbraw/zinc/42/89/39/361428939.db2.gz HHIPOHBAVPYTQE-ZDEQEGDKSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000629546756 361428944 /nfs/dbraw/zinc/42/89/44/361428944.db2.gz HHIPOHBAVPYTQE-ZDEQEGDKSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc[nH]c1=O ZINC000629547483 361430260 /nfs/dbraw/zinc/43/02/60/361430260.db2.gz TXXBQVBSUCZVDT-GXSJLCMTSA-N 1 3 221.304 1.004 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1CCOC1 ZINC000629548513 361434524 /nfs/dbraw/zinc/43/45/24/361434524.db2.gz POCYDBMFNYFOOQ-FIQHERPVSA-N 1 3 212.337 1.142 20 0 BDADHO CC[C@@H]([NH2+][C@@H]1CCN[C@H]1C)[C@@H]1CCOC1 ZINC000629548515 361434644 /nfs/dbraw/zinc/43/46/44/361434644.db2.gz POCYDBMFNYFOOQ-IRCOFANPSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H]1CN(CCOCC[NH3+])C[C@H](C)C1(F)F ZINC000629552273 361435283 /nfs/dbraw/zinc/43/52/83/361435283.db2.gz GRASXKNWWBAGPK-AOOOYVTPSA-N 1 3 236.306 1.185 20 0 BDADHO C[C@H]1CN(CCC[NH3+])C[C@H](C)C1(F)F ZINC000629552837 361436559 /nfs/dbraw/zinc/43/65/59/361436559.db2.gz RBJBWDQGYMWKHM-IUCAKERBSA-N 1 3 206.280 1.558 20 0 BDADHO Cc1ccc2c(c1)[C@@H](NCCOCCC[NH3+])CC2 ZINC000629541488 361416507 /nfs/dbraw/zinc/41/65/07/361416507.db2.gz PHKQJDSSDJZTQT-HNNXBMFYSA-N 1 3 248.370 1.937 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1ccccc1 ZINC000629569688 361461758 /nfs/dbraw/zinc/46/17/58/361461758.db2.gz YSRJSNNEVQYLDP-UHFFFAOYSA-N 1 3 222.332 1.354 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@H]1CCCO1)C2 ZINC000629596346 361483335 /nfs/dbraw/zinc/48/33/35/361483335.db2.gz XAJVSPUORZTSRE-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO Cn1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629654420 361559266 /nfs/dbraw/zinc/55/92/66/361559266.db2.gz OELPUNAZHDUOEH-OAHLLOKOSA-N 1 3 247.386 1.847 20 0 BDADHO Cn1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000629649226 361543528 /nfs/dbraw/zinc/54/35/28/361543528.db2.gz MMJAMDWEJKLXQR-LSDHHAIUSA-N 1 3 247.386 1.989 20 0 BDADHO C[C@H]1CCNC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649518 361544875 /nfs/dbraw/zinc/54/48/75/361544875.db2.gz UOFFSQTVQUCCJJ-CMPLNLGQSA-N 1 3 207.321 1.113 20 0 BDADHO C[C@@H]1CCNC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000629649521 361544989 /nfs/dbraw/zinc/54/49/89/361544989.db2.gz UOFFSQTVQUCCJJ-ZYHUDNBSSA-N 1 3 207.321 1.113 20 0 BDADHO Cn1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000629649661 361546883 /nfs/dbraw/zinc/54/68/83/361546883.db2.gz YUGHTAHTZVGCDB-RYUDHWBXSA-N 1 3 207.321 1.385 20 0 BDADHO C[C@@]1(C[NH3+])CCN(CC2=CCCOC2)C1 ZINC000629652857 361551308 /nfs/dbraw/zinc/55/13/08/361551308.db2.gz DWOKJBXAWFPNSM-LBPRGKRZSA-N 1 3 210.321 1.004 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CC2=CCCOC2)C1 ZINC000629652857 361551309 /nfs/dbraw/zinc/55/13/09/361551309.db2.gz DWOKJBXAWFPNSM-LBPRGKRZSA-N 1 3 210.321 1.004 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CC2=CCCOC2)C1 ZINC000629652857 361551312 /nfs/dbraw/zinc/55/13/12/361551312.db2.gz DWOKJBXAWFPNSM-LBPRGKRZSA-N 1 3 210.321 1.004 20 0 BDADHO C[C@@]1(CN2CC[C@H]3CC[C@@H](C2)S3)CC[NH2+]C1 ZINC000629653018 361551877 /nfs/dbraw/zinc/55/18/77/361551877.db2.gz FDUPQLXEYHKMKW-FRRDWIJNSA-N 1 3 240.416 1.956 20 0 BDADHO CN(CCOCC[NH3+])Cc1cccc(C2CC2)c1 ZINC000629667305 361588518 /nfs/dbraw/zinc/58/85/18/361588518.db2.gz WVIKFRBDALJXSN-UHFFFAOYSA-N 1 3 248.370 1.971 20 0 BDADHO C[C@H]([NH3+])CCC(=O)NCCN1CCCC[C@@H]1C ZINC000434671577 201231893 /nfs/dbraw/zinc/23/18/93/201231893.db2.gz IMCNOUKNDVXQMA-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO c1cc(C2=CC[NH2+]CC2)cc([C@@H]2CNCCO2)c1 ZINC000629722811 361663532 /nfs/dbraw/zinc/66/35/32/361663532.db2.gz FDBVHWJSHBAZRB-HNNXBMFYSA-N 1 3 244.338 1.724 20 0 BDADHO N[C@H](CO)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629722914 361663657 /nfs/dbraw/zinc/66/36/57/361663657.db2.gz HPLLJMGTVOCBTD-CYBMUJFWSA-N 1 3 218.300 1.055 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000155757837 201351496 /nfs/dbraw/zinc/35/14/96/201351496.db2.gz WSXZCYPCPYIJKV-OLZOCXBDSA-N 1 3 227.396 1.256 20 0 BDADHO C[C@@H](CC(=O)N1CCCCCC1)NCCC[NH3+] ZINC000437782083 201372455 /nfs/dbraw/zinc/37/24/55/201372455.db2.gz XPAWDFDILRGSJV-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCN ZINC000437782083 201372456 /nfs/dbraw/zinc/37/24/56/201372456.db2.gz XPAWDFDILRGSJV-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H](c1ccccc1)N1CC[C@@H](NCCC[NH3+])C1 ZINC000437795879 201374747 /nfs/dbraw/zinc/37/47/47/201374747.db2.gz HHWPYKFTMNOIPF-DZGCQCFKSA-N 1 3 247.386 1.760 20 0 BDADHO CC(C)(C)[NH+]1CCC(N[C@H]2C[C@@H](CO)C2)CC1 ZINC000631670984 364262280 /nfs/dbraw/zinc/26/22/80/364262280.db2.gz ZKFDLIJAGXFWED-BJHJDKERSA-N 1 3 240.391 1.610 20 0 BDADHO C(C[N@@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CCCO1 ZINC000335011691 541419135 /nfs/dbraw/zinc/41/91/35/541419135.db2.gz XDYGYCZRKIBIQC-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO C(C[N@H+]1CC[C@]2(C1)CCCNC2)[C@H]1CCCO1 ZINC000335011691 541419139 /nfs/dbraw/zinc/41/91/39/541419139.db2.gz XDYGYCZRKIBIQC-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO C(CN1CC[C@]2(C1)CCC[NH2+]C2)[C@H]1CCCO1 ZINC000335011691 541419142 /nfs/dbraw/zinc/41/91/42/541419142.db2.gz XDYGYCZRKIBIQC-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO Nc1cc(CN2CCC(CC[NH3+])CC2)ccn1 ZINC000574406924 365056068 /nfs/dbraw/zinc/05/60/68/365056068.db2.gz YOVOLRZEFMZKPU-UHFFFAOYSA-N 1 3 234.347 1.055 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000574440888 365060650 /nfs/dbraw/zinc/06/06/50/365060650.db2.gz PLLZPFDOANPWRD-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@]1(C)CCCNC1 ZINC000575850665 365384571 /nfs/dbraw/zinc/38/45/71/365384571.db2.gz NBZWLELWPLDBJG-NWDGAFQWSA-N 1 3 214.353 1.248 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]CC2(O)CCC2)C1 ZINC000576029803 365455134 /nfs/dbraw/zinc/45/51/34/365455134.db2.gz BLLYHHMPRILITP-CYBMUJFWSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CNCC2(O)CCC2)C1 ZINC000576029803 365455141 /nfs/dbraw/zinc/45/51/41/365455141.db2.gz BLLYHHMPRILITP-CYBMUJFWSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CNCC2(O)CCC2)C1 ZINC000576029803 365455145 /nfs/dbraw/zinc/45/51/45/365455145.db2.gz BLLYHHMPRILITP-CYBMUJFWSA-N 1 3 240.391 1.611 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000381470007 367413746 /nfs/dbraw/zinc/41/37/46/367413746.db2.gz NZQAICPEASKCPZ-FVCCEPFGSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000381470007 367413751 /nfs/dbraw/zinc/41/37/51/367413751.db2.gz NZQAICPEASKCPZ-FVCCEPFGSA-N 1 3 226.364 1.626 20 0 BDADHO CC1CC[NH+](C[C@@H](O)CNCC2(C)CC2)CC1 ZINC000581345913 367362724 /nfs/dbraw/zinc/36/27/24/367362724.db2.gz OUJSLWSIMUCMBC-ZDUSSCGKSA-N 1 3 240.391 1.469 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC000381621815 367440660 /nfs/dbraw/zinc/44/06/60/367440660.db2.gz AIGYYHWMVNLGCD-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC000581499793 367528161 /nfs/dbraw/zinc/52/81/61/367528161.db2.gz SGWDEAUVURLXSN-FRRDWIJNSA-N 1 3 242.363 1.042 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000384040303 367669667 /nfs/dbraw/zinc/66/96/67/367669667.db2.gz FVHFYZXOKPLYSP-IJLUTSLNSA-N 1 3 228.405 1.989 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000384040305 367669677 /nfs/dbraw/zinc/66/96/77/367669677.db2.gz FVHFYZXOKPLYSP-QJPTWQEYSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000384339933 367685468 /nfs/dbraw/zinc/68/54/68/367685468.db2.gz CAZVMJOMYMUHJB-JHJVBQTASA-N 1 3 228.380 1.502 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384854451 367744640 /nfs/dbraw/zinc/74/46/40/367744640.db2.gz GHICESIPIPCZDA-RWMBFGLXSA-N 1 3 228.380 1.874 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384854450 367744807 /nfs/dbraw/zinc/74/48/07/367744807.db2.gz GHICESIPIPCZDA-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000384928417 367760598 /nfs/dbraw/zinc/76/05/98/367760598.db2.gz SAUCFQCVIQKJKZ-FRRDWIJNSA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384928417 367760605 /nfs/dbraw/zinc/76/06/05/367760605.db2.gz SAUCFQCVIQKJKZ-FRRDWIJNSA-N 1 3 240.391 1.752 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962694 367766379 /nfs/dbraw/zinc/76/63/79/367766379.db2.gz SIFVIQTYQHNOGB-RQJABVFESA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962694 367766385 /nfs/dbraw/zinc/76/63/85/367766385.db2.gz SIFVIQTYQHNOGB-RQJABVFESA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962694 367766392 /nfs/dbraw/zinc/76/63/92/367766392.db2.gz SIFVIQTYQHNOGB-RQJABVFESA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H](NCC1(C)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386058224 367904873 /nfs/dbraw/zinc/90/48/73/367904873.db2.gz WUAJEJOPSZPSTA-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2cnc(N)s2)CC1 ZINC000566226143 326018562 /nfs/dbraw/zinc/01/85/62/326018562.db2.gz YQXKMDZOWYNVNE-QMMMGPOBSA-N 1 3 240.376 1.115 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CN1 ZINC000399192902 367897628 /nfs/dbraw/zinc/89/76/28/367897628.db2.gz QRJVCCLGOBOMHZ-WCQYABFASA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](NC[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386509773 367983049 /nfs/dbraw/zinc/98/30/49/367983049.db2.gz WYYTUBNNADSIGZ-CRWXNKLISA-N 1 3 240.391 1.658 20 0 BDADHO CSCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086404306 368881404 /nfs/dbraw/zinc/88/14/04/368881404.db2.gz FFCQHCKSBDOJED-NXEZZACHSA-N 1 3 202.367 1.599 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCOC2CCCC2)C1 ZINC000086404266 368881530 /nfs/dbraw/zinc/88/15/30/368881530.db2.gz BZYOZARDSSUSDY-RYUDHWBXSA-N 1 3 226.364 1.805 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000404893834 369438372 /nfs/dbraw/zinc/43/83/72/369438372.db2.gz RVWRELNQMQWJEP-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000252803747 370134423 /nfs/dbraw/zinc/13/44/23/370134423.db2.gz CBGNXDQGYRUZIW-GLKRBJQHSA-N 1 3 246.420 1.073 20 0 BDADHO Cc1c(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cnn1C ZINC000252854466 370136797 /nfs/dbraw/zinc/13/67/97/370136797.db2.gz JTXDQJSPTCCSSA-FPMFFAJLSA-N 1 3 248.374 1.288 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC(C)(CC)CC1 ZINC000310462307 370346754 /nfs/dbraw/zinc/34/67/54/370346754.db2.gz BBFHWBQOFNYIJN-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC(C)(CC)CC1 ZINC000310462307 370346757 /nfs/dbraw/zinc/34/67/57/370346757.db2.gz BBFHWBQOFNYIJN-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO Cc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000621775033 370521980 /nfs/dbraw/zinc/52/19/80/370521980.db2.gz DGXZFZDPHFMEQD-GASCZTMLSA-N 1 3 245.370 1.821 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(CC1CCOCC1)C2 ZINC000621780568 370529391 /nfs/dbraw/zinc/52/93/91/370529391.db2.gz SQPMTSCEMBATGK-OLZOCXBDSA-N 1 3 224.348 1.226 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000623824043 371108346 /nfs/dbraw/zinc/10/83/46/371108346.db2.gz VMGYQAGMNXPKJI-MQYQWHSLSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]([NH2+]CCOCC1CCC1)[C@H]1CCCCN1 ZINC000569093194 326389293 /nfs/dbraw/zinc/38/92/93/326389293.db2.gz FERBMAFGZIDTNJ-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1CCCCO1 ZINC000623968219 371203960 /nfs/dbraw/zinc/20/39/60/371203960.db2.gz XWKOJMYWFOHJLM-QWHCGFSZSA-N 1 3 244.379 1.112 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H]1CCCCO1)C[NH+](C)C ZINC000623988046 371221033 /nfs/dbraw/zinc/22/10/33/371221033.db2.gz XQSUCWFQJIASAI-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCN2CCCC2)c2ccccc21 ZINC000131930820 181598287 /nfs/dbraw/zinc/59/82/87/181598287.db2.gz GDKGRTVFQLJSDF-HUUCEWRRSA-N 1 3 245.370 1.817 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121037 371321170 /nfs/dbraw/zinc/32/11/70/371321170.db2.gz MGHJDPJMFCWMLI-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121037 371321173 /nfs/dbraw/zinc/32/11/73/371321173.db2.gz MGHJDPJMFCWMLI-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1CC1 ZINC000624121566 371322791 /nfs/dbraw/zinc/32/27/91/371322791.db2.gz YCDAOMTVHCDZAJ-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)C1CC1 ZINC000624121566 371322793 /nfs/dbraw/zinc/32/27/93/371322793.db2.gz YCDAOMTVHCDZAJ-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)C1CC1 ZINC000624121566 371322795 /nfs/dbraw/zinc/32/27/95/371322795.db2.gz YCDAOMTVHCDZAJ-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000624122013 371322989 /nfs/dbraw/zinc/32/29/89/371322989.db2.gz ICDZMPQIUZSIAB-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000624123522 371324973 /nfs/dbraw/zinc/32/49/73/371324973.db2.gz NPUUGENICQTFPM-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@](C)(O)C1 ZINC000161890455 371577982 /nfs/dbraw/zinc/57/79/82/371577982.db2.gz TVGZXACRYXXBJO-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CCC[C@@](C)(O)C1 ZINC000161890455 371577987 /nfs/dbraw/zinc/57/79/87/371577987.db2.gz TVGZXACRYXXBJO-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H]1OCC[C@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822585 372599017 /nfs/dbraw/zinc/59/90/17/372599017.db2.gz IOBZWEQGVQWDTH-ZBBUEOHVSA-N 1 3 238.375 1.626 20 0 BDADHO CCOCC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631832059 372616157 /nfs/dbraw/zinc/61/61/57/372616157.db2.gz XGHXOWFGCMLSJI-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO CCOCC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631832059 372616162 /nfs/dbraw/zinc/61/61/62/372616162.db2.gz XGHXOWFGCMLSJI-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO COC[C@H](N[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000424379626 206038582 /nfs/dbraw/zinc/03/85/82/206038582.db2.gz VUNNKMSNEIWWQE-UTUOFQBUSA-N 1 3 212.337 1.271 20 0 BDADHO OCCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000300245417 183052296 /nfs/dbraw/zinc/05/22/96/183052296.db2.gz XDBIIYXIJGNAKE-MGPQQGTHSA-N 1 3 240.391 1.659 20 0 BDADHO OCCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000300245417 183052300 /nfs/dbraw/zinc/05/23/00/183052300.db2.gz XDBIIYXIJGNAKE-MGPQQGTHSA-N 1 3 240.391 1.659 20 0 BDADHO CCCC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000037619100 169006192 /nfs/dbraw/zinc/00/61/92/169006192.db2.gz OUVGUSLMBSTMAA-NSHDSACASA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000037619270 169006933 /nfs/dbraw/zinc/00/69/33/169006933.db2.gz KLNHHBTWRJJVMD-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000037619270 169006935 /nfs/dbraw/zinc/00/69/35/169006935.db2.gz KLNHHBTWRJJVMD-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CC[C@@H](C)O)C1 ZINC000336688732 169077912 /nfs/dbraw/zinc/07/79/12/169077912.db2.gz YQXIWZZFPUTYIQ-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CC[C@@H](C)O)C1 ZINC000336688732 169077910 /nfs/dbraw/zinc/07/79/10/169077910.db2.gz YQXIWZZFPUTYIQ-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336688734 169078770 /nfs/dbraw/zinc/07/87/70/169078770.db2.gz YQXIWZZFPUTYIQ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336688734 169078771 /nfs/dbraw/zinc/07/87/71/169078771.db2.gz YQXIWZZFPUTYIQ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336720572 169079679 /nfs/dbraw/zinc/07/96/79/169079679.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336720572 169079680 /nfs/dbraw/zinc/07/96/80/169079680.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336720572 169079681 /nfs/dbraw/zinc/07/96/81/169079681.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336720572 169079683 /nfs/dbraw/zinc/07/96/83/169079683.db2.gz WYXGAVJSYUHIFG-ZIAGYGMSSA-N 1 3 242.407 1.667 20 0 BDADHO CCCN(CC)C[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000353075694 169125332 /nfs/dbraw/zinc/12/53/32/169125332.db2.gz YRZYXIGSQDEACG-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO CCC[NH+]1CCC(N(C)CC[C@@H](C)O)CC1 ZINC000336684820 169186443 /nfs/dbraw/zinc/18/64/43/169186443.db2.gz VDIZAVFIENUNBF-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000341898832 169189743 /nfs/dbraw/zinc/18/97/43/169189743.db2.gz UQNGRWHXWDTIPQ-GXTWGEPZSA-N 1 3 239.407 1.401 20 0 BDADHO c1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022738 183338540 /nfs/dbraw/zinc/33/85/40/183338540.db2.gz ZBIOELPCFAJBEO-HUUCEWRRSA-N 1 3 245.370 1.841 20 0 BDADHO c1cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000156022738 183338544 /nfs/dbraw/zinc/33/85/44/183338544.db2.gz ZBIOELPCFAJBEO-HUUCEWRRSA-N 1 3 245.370 1.841 20 0 BDADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000295310916 169284661 /nfs/dbraw/zinc/28/46/61/169284661.db2.gz YJJJNLZCIPVIBP-DGCLKSJQSA-N 1 3 249.358 1.191 20 0 BDADHO c1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000127699778 183395266 /nfs/dbraw/zinc/39/52/66/183395266.db2.gz NHUGJRHRYWUHQN-LSDHHAIUSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000127699778 183395268 /nfs/dbraw/zinc/39/52/68/183395268.db2.gz NHUGJRHRYWUHQN-LSDHHAIUSA-N 1 3 245.370 1.841 20 0 BDADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000295310914 169273384 /nfs/dbraw/zinc/27/33/84/169273384.db2.gz YJJJNLZCIPVIBP-AAEUAGOBSA-N 1 3 249.358 1.191 20 0 BDADHO CCC[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000110757996 169369919 /nfs/dbraw/zinc/36/99/19/169369919.db2.gz IRMZLEPOZJJWAS-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO CCC[C@@H](N)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972768 169387579 /nfs/dbraw/zinc/38/75/79/169387579.db2.gz NAJOLPGTLSIFOY-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)N(C)C1CCN(C)CC1 ZINC000048221065 169545799 /nfs/dbraw/zinc/54/57/99/169545799.db2.gz MRGZFHDONWVYAC-ZDUSSCGKSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@H](N)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000037804631 383859099 /nfs/dbraw/zinc/85/90/99/383859099.db2.gz LWZYDTFZFPEKRE-LBPRGKRZSA-N 1 3 241.379 1.055 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)CC)CC1 ZINC000049555452 383955649 /nfs/dbraw/zinc/95/56/49/383955649.db2.gz LMWSKFQXKOEZDG-GFCCVEGCSA-N 1 3 214.353 1.221 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224613711 383971236 /nfs/dbraw/zinc/97/12/36/383971236.db2.gz CBVLBBYWTZOBLK-SDDRHHMPSA-N 1 3 228.405 1.799 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224613711 383971245 /nfs/dbraw/zinc/97/12/45/383971245.db2.gz CBVLBBYWTZOBLK-SDDRHHMPSA-N 1 3 228.405 1.799 20 0 BDADHO c1cncc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000037408328 383973536 /nfs/dbraw/zinc/97/35/36/383973536.db2.gz HDIHFEIVBGPUDQ-ZDUSSCGKSA-N 1 3 231.343 1.656 20 0 BDADHO c1cncc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000037408329 383974269 /nfs/dbraw/zinc/97/42/69/383974269.db2.gz HDIHFEIVBGPUDQ-CYBMUJFWSA-N 1 3 231.343 1.656 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545780 384013884 /nfs/dbraw/zinc/01/38/84/384013884.db2.gz CGPCTHDVJFXODK-IJLUTSLNSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545780 384013891 /nfs/dbraw/zinc/01/38/91/384013891.db2.gz CGPCTHDVJFXODK-IJLUTSLNSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)[C@H](C)O1 ZINC000643548389 384035845 /nfs/dbraw/zinc/03/58/45/384035845.db2.gz OPNGYRFNHITFTH-XQHKEYJVSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC3(CCC3)C2)[C@H](C)O1 ZINC000643548389 384035852 /nfs/dbraw/zinc/03/58/52/384035852.db2.gz OPNGYRFNHITFTH-XQHKEYJVSA-N 1 3 238.375 1.817 20 0 BDADHO Cc1cnn(CC[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000235954112 384075430 /nfs/dbraw/zinc/07/54/30/384075430.db2.gz NBDANIIJACYZSB-STQMWFEESA-N 1 3 236.363 1.299 20 0 BDADHO Cc1cnn(CCN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000235954112 384075435 /nfs/dbraw/zinc/07/54/35/384075435.db2.gz NBDANIIJACYZSB-STQMWFEESA-N 1 3 236.363 1.299 20 0 BDADHO Cn1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000091008479 384093880 /nfs/dbraw/zinc/09/38/80/384093880.db2.gz DKPYPDVSXAYJMN-CYBMUJFWSA-N 1 3 233.359 1.599 20 0 BDADHO N[C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000163270822 384201338 /nfs/dbraw/zinc/20/13/38/384201338.db2.gz CJXRTIFHCLHORG-CHWSQXEVSA-N 1 3 247.342 1.026 20 0 BDADHO COCC[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000081715806 384196811 /nfs/dbraw/zinc/19/68/11/384196811.db2.gz DQOPOMRUZYOSCI-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000081715806 384196813 /nfs/dbraw/zinc/19/68/13/384196813.db2.gz DQOPOMRUZYOSCI-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO COCC[C@H](C)[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000081715806 384196817 /nfs/dbraw/zinc/19/68/17/384196817.db2.gz DQOPOMRUZYOSCI-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(CC2CC2)CC1 ZINC000042491265 384224824 /nfs/dbraw/zinc/22/48/24/384224824.db2.gz ZOPFSQOGLNLNCR-AWEZNQCLSA-N 1 3 239.407 1.387 20 0 BDADHO CC[C@H](N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[NH2+]1 ZINC000333227024 384249105 /nfs/dbraw/zinc/24/91/05/384249105.db2.gz BCJRAEXKJVHDNG-WOPDTQHZSA-N 1 3 248.374 1.387 20 0 BDADHO CC[C@H](N[C@@H]1CCc2[nH]cnc2C1)[C@@H]1CCC[NH2+]1 ZINC000333227024 384249111 /nfs/dbraw/zinc/24/91/11/384249111.db2.gz BCJRAEXKJVHDNG-WOPDTQHZSA-N 1 3 248.374 1.387 20 0 BDADHO C=Cn1cc(CNCC2=CC[N@H+](C)CC2)cn1 ZINC000278855086 384252007 /nfs/dbraw/zinc/25/20/07/384252007.db2.gz LMEMQIWOAHXMEI-UHFFFAOYSA-N 1 3 232.331 1.335 20 0 BDADHO C=Cn1cc(CNCC2=CC[N@@H+](C)CC2)cn1 ZINC000278855086 384252012 /nfs/dbraw/zinc/25/20/12/384252012.db2.gz LMEMQIWOAHXMEI-UHFFFAOYSA-N 1 3 232.331 1.335 20 0 BDADHO CC(C)OCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645507 384252680 /nfs/dbraw/zinc/25/26/80/384252680.db2.gz IVRGDSBDPPXOST-VXGBXAGGSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@H]([NH2+]CCc1cn(C)cn1)[C@H]1CCCCN1 ZINC000313309633 384253342 /nfs/dbraw/zinc/25/33/42/384253342.db2.gz VMFFHLQLOKXFQG-WCQYABFASA-N 1 3 236.363 1.083 20 0 BDADHO CSCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000173745196 384261280 /nfs/dbraw/zinc/26/12/80/384261280.db2.gz JWGZJXYNHUEUBT-LLVKDONJSA-N 1 3 216.394 1.623 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000401899549 384241729 /nfs/dbraw/zinc/24/17/29/384241729.db2.gz PPAHQHUBRRYUSZ-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@@H](C)C2)C1 ZINC000401899549 384241733 /nfs/dbraw/zinc/24/17/33/384241733.db2.gz PPAHQHUBRRYUSZ-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CO[C@@H](C)C2)C1 ZINC000401899549 384241738 /nfs/dbraw/zinc/24/17/38/384241738.db2.gz PPAHQHUBRRYUSZ-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H](C[NH2+][C@H]1CO[C@@H](C)C1)CN1CCCCC1 ZINC000401915104 384279610 /nfs/dbraw/zinc/27/96/10/384279610.db2.gz AMNXAVXPFSBFDP-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@H]1CO[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000401915104 384279617 /nfs/dbraw/zinc/27/96/17/384279617.db2.gz AMNXAVXPFSBFDP-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000402943730 384282115 /nfs/dbraw/zinc/28/21/15/384282115.db2.gz NXRNJNKXZXYOLY-XUXIUFHCSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@H]1CC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)O1 ZINC000402943730 384282119 /nfs/dbraw/zinc/28/21/19/384282119.db2.gz NXRNJNKXZXYOLY-XUXIUFHCSA-N 1 3 238.375 1.615 20 0 BDADHO CN(Cc1cncs1)CC1CC[NH2+]CC1 ZINC000095071337 384341305 /nfs/dbraw/zinc/34/13/05/384341305.db2.gz VKAQMMUNWJFTIV-UHFFFAOYSA-N 1 3 225.361 1.575 20 0 BDADHO Cc1ccc(CN2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000228858635 384346115 /nfs/dbraw/zinc/34/61/15/384346115.db2.gz MHGBVQWQCGMVQN-GFCCVEGCSA-N 1 3 233.359 1.949 20 0 BDADHO Cc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1C ZINC000335624359 384400104 /nfs/dbraw/zinc/40/01/04/384400104.db2.gz CIQQFECQSGQBRG-UHFFFAOYSA-N 1 3 248.370 1.589 20 0 BDADHO COCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084215735 384377693 /nfs/dbraw/zinc/37/76/93/384377693.db2.gz QUABKZUHDFHVON-MNOVXSKESA-N 1 3 200.326 1.130 20 0 BDADHO COCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216528 384377856 /nfs/dbraw/zinc/37/78/56/384377856.db2.gz DJLQTUGYMOHVGQ-VXGBXAGGSA-N 1 3 214.353 1.520 20 0 BDADHO CCCCOCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084220388 384378008 /nfs/dbraw/zinc/37/80/08/384378008.db2.gz PPACKNTYMHRLSH-NEPJUHHUSA-N 1 3 214.353 1.520 20 0 BDADHO CCCCOCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000084220388 384378012 /nfs/dbraw/zinc/37/80/12/384378012.db2.gz PPACKNTYMHRLSH-NEPJUHHUSA-N 1 3 214.353 1.520 20 0 BDADHO CCOCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000084217919 384378150 /nfs/dbraw/zinc/37/81/50/384378150.db2.gz KOJDKZMTTXSZKC-QWRGUYRKSA-N 1 3 200.326 1.130 20 0 BDADHO Cc1ccncc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000135451247 384445044 /nfs/dbraw/zinc/44/50/44/384445044.db2.gz GIJYMFYUXFQIHU-ZDUSSCGKSA-N 1 3 245.370 1.964 20 0 BDADHO COCCN(C[C@]1(C)CC[NH2+]C1)C1CCCC1 ZINC000647513824 384427766 /nfs/dbraw/zinc/42/77/66/384427766.db2.gz HRUIEVFYUIXYBO-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@]1(CN2CCC[C@H](CCO)C2)CC[NH2+]C1 ZINC000647515910 384461601 /nfs/dbraw/zinc/46/16/01/384461601.db2.gz ZTZLPFHYKMVAOP-CHWSQXEVSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@H]1OCCN(CCC2CC[NH2+]CC2)[C@H]1C ZINC000335663076 384472993 /nfs/dbraw/zinc/47/29/93/384472993.db2.gz LFPMDVKKJPZGNC-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H]1CC[C@@H](C)[N@@H+]1CCN1CCNCC1 ZINC000136184984 384485769 /nfs/dbraw/zinc/48/57/69/384485769.db2.gz AMILAOBJIQSWRT-OLZOCXBDSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@H]1CC[C@@H](C)[N@H+]1CCN1CCNCC1 ZINC000136184984 384485774 /nfs/dbraw/zinc/48/57/74/384485774.db2.gz AMILAOBJIQSWRT-OLZOCXBDSA-N 1 3 225.380 1.155 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCSC1 ZINC000224622367 384480508 /nfs/dbraw/zinc/48/05/08/384480508.db2.gz AVZOJQYGYCJSHS-OUAUKWLOSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCSC1 ZINC000224622367 384480514 /nfs/dbraw/zinc/48/05/14/384480514.db2.gz AVZOJQYGYCJSHS-OUAUKWLOSA-N 1 3 214.378 1.409 20 0 BDADHO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000353562960 384531783 /nfs/dbraw/zinc/53/17/83/384531783.db2.gz CVCSRHHNYLDSAL-MGPQQGTHSA-N 1 3 241.423 1.787 20 0 BDADHO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000353562959 384532506 /nfs/dbraw/zinc/53/25/06/384532506.db2.gz CVCSRHHNYLDSAL-MCIONIFRSA-N 1 3 241.423 1.787 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H](COC)C2CC2)C1 ZINC000151143305 384541805 /nfs/dbraw/zinc/54/18/05/384541805.db2.gz YGXYBQFRVCBFAV-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H](COC)C2CC2)C1 ZINC000151143305 384541807 /nfs/dbraw/zinc/54/18/07/384541807.db2.gz YGXYBQFRVCBFAV-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H](COC)C2CC2)C1 ZINC000151143305 384541811 /nfs/dbraw/zinc/54/18/11/384541811.db2.gz YGXYBQFRVCBFAV-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CN(C)CC(C)(C)C[NH2+]Cc1cccnc1 ZINC000019905714 384556104 /nfs/dbraw/zinc/55/61/04/384556104.db2.gz NZVMXSDHDSMZCH-UHFFFAOYSA-N 1 3 221.348 1.759 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)Cn1cccn1 ZINC000309738877 384568624 /nfs/dbraw/zinc/56/86/24/384568624.db2.gz HEIMYJVRQFWIKJ-RYUDHWBXSA-N 1 3 224.352 1.201 20 0 BDADHO CCN(CC)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000236837502 384591062 /nfs/dbraw/zinc/59/10/62/384591062.db2.gz RPEDGLGBBYICMC-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)[C@@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000305934024 384565821 /nfs/dbraw/zinc/56/58/21/384565821.db2.gz PSJSHYBYOFJNAD-GFCCVEGCSA-N 1 3 237.351 1.030 20 0 BDADHO C([NH2+][C@H]1CCNC1)[C@H]1CC2CCC1CC2 ZINC000335074136 384615431 /nfs/dbraw/zinc/61/54/31/384615431.db2.gz BOAYVGMIQAGAAB-TUUUFIMRSA-N 1 3 208.349 1.764 20 0 BDADHO C([NH2+][C@H]1CCNC1)[C@@H]1CC2CCC1CC2 ZINC000335074138 384617080 /nfs/dbraw/zinc/61/70/80/384617080.db2.gz BOAYVGMIQAGAAB-TYUFSLCMSA-N 1 3 208.349 1.764 20 0 BDADHO c1csc(CNCCC[NH+]2CCC2)c1 ZINC000566473146 384668359 /nfs/dbraw/zinc/66/83/59/384668359.db2.gz HBQISNCIMMYKTM-UHFFFAOYSA-N 1 3 210.346 1.934 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000336191129 384723431 /nfs/dbraw/zinc/72/34/31/384723431.db2.gz CBSJQKLKRRUMEL-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300362996 384697009 /nfs/dbraw/zinc/69/70/09/384697009.db2.gz DHJZECHXPNMWAW-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](O)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300362996 384697014 /nfs/dbraw/zinc/69/70/14/384697014.db2.gz DHJZECHXPNMWAW-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449094433 384720430 /nfs/dbraw/zinc/72/04/30/384720430.db2.gz RXROJPXUDDMRNB-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449094433 384720441 /nfs/dbraw/zinc/72/04/41/384720441.db2.gz RXROJPXUDDMRNB-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000449094433 384720449 /nfs/dbraw/zinc/72/04/49/384720449.db2.gz RXROJPXUDDMRNB-XJFOESAGSA-N 1 3 240.391 1.874 20 0 BDADHO Nc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000647546615 384733948 /nfs/dbraw/zinc/73/39/48/384733948.db2.gz RZGOXJCRAFEFEO-NEPJUHHUSA-N 1 3 234.347 1.101 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000300396568 384750905 /nfs/dbraw/zinc/75/09/05/384750905.db2.gz FJHAHZZJRYMPKO-NNYUYHANSA-N 1 3 246.420 1.206 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000300396568 384750915 /nfs/dbraw/zinc/75/09/15/384750915.db2.gz FJHAHZZJRYMPKO-NNYUYHANSA-N 1 3 246.420 1.206 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC12CCCC2 ZINC000647553668 384768626 /nfs/dbraw/zinc/76/86/26/384768626.db2.gz GQUJKXPNVNAOBV-IJLUTSLNSA-N 1 3 208.349 1.907 20 0 BDADHO FC1CCC(C[NH2+][C@H]2CCNC2)CC1 ZINC000647553331 384768763 /nfs/dbraw/zinc/76/87/63/384768763.db2.gz SVUFWANMXJNDDB-ILDUYXDCSA-N 1 3 200.301 1.466 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCSC1 ZINC000306617094 384787558 /nfs/dbraw/zinc/78/75/58/384787558.db2.gz QRKAZHKPMHMOIS-AXFHLTTASA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCOC2)C[C@@H]1CN ZINC000397331971 384798127 /nfs/dbraw/zinc/79/81/27/384798127.db2.gz RHHZQBMFDJUKJK-VOAKCMCISA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCOC2)C[C@@H]1CN ZINC000397331971 384798133 /nfs/dbraw/zinc/79/81/33/384798133.db2.gz RHHZQBMFDJUKJK-VOAKCMCISA-N 1 3 226.364 1.328 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1CCN(C)[C@H](c2ccccc2)C1 ZINC000423329119 384807109 /nfs/dbraw/zinc/80/71/09/384807109.db2.gz ONTCNTMWCFBINT-YUELXQCFSA-N 1 3 247.386 1.759 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000398207584 384842877 /nfs/dbraw/zinc/84/28/77/384842877.db2.gz CDTAZJGFMMXDAR-IUCAKERBSA-N 1 3 240.269 1.630 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOC(F)(F)F ZINC000398207584 384842884 /nfs/dbraw/zinc/84/28/84/384842884.db2.gz CDTAZJGFMMXDAR-IUCAKERBSA-N 1 3 240.269 1.630 20 0 BDADHO C[C@H]([NH2+]CCOC(F)(F)F)[C@@H]1CCCCN1 ZINC000398209395 384844532 /nfs/dbraw/zinc/84/45/32/384844532.db2.gz DCRIHPLZLGOZMT-IUCAKERBSA-N 1 3 240.269 1.643 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@@H](C)O)CN1CCCCC1 ZINC000564843556 384956085 /nfs/dbraw/zinc/95/60/85/384956085.db2.gz AOZYGAPPPHXJTD-FRRDWIJNSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H](C)O)C[NH+]1CCCCC1 ZINC000564843556 384956092 /nfs/dbraw/zinc/95/60/92/384956092.db2.gz AOZYGAPPPHXJTD-FRRDWIJNSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000306016297 384919255 /nfs/dbraw/zinc/91/92/55/384919255.db2.gz RYPDKCRVIWFVOZ-MCIONIFRSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000366598783 384924500 /nfs/dbraw/zinc/92/45/00/384924500.db2.gz SVYPSCFLXWIDKJ-QNMSZWNNSA-N 1 3 240.391 1.560 20 0 BDADHO CC(C)[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000366598783 384924508 /nfs/dbraw/zinc/92/45/08/384924508.db2.gz SVYPSCFLXWIDKJ-QNMSZWNNSA-N 1 3 240.391 1.560 20 0 BDADHO C[C@@H](O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000257771795 384928429 /nfs/dbraw/zinc/92/84/29/384928429.db2.gz NUDXLNCMMHYRMG-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000257771795 384928433 /nfs/dbraw/zinc/92/84/33/384928433.db2.gz NUDXLNCMMHYRMG-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000257771795 384928439 /nfs/dbraw/zinc/92/84/39/384928439.db2.gz NUDXLNCMMHYRMG-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)CN(C)C ZINC000310268681 384932826 /nfs/dbraw/zinc/93/28/26/384932826.db2.gz SBXYUCHXDWQSPT-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1ccc2c(c1)CCO2 ZINC000258895428 384943754 /nfs/dbraw/zinc/94/37/54/384943754.db2.gz HHEQSMHMZIEOKZ-ZIAGYGMSSA-N 1 3 246.354 1.633 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc2c(c1)OCCO2 ZINC000258842940 384948251 /nfs/dbraw/zinc/94/82/51/384948251.db2.gz WLXUCKXAMVTYSL-SNVBAGLBSA-N 1 3 236.315 1.142 20 0 BDADHO Cc1ccc(CNC[C@@H](C)C[NH3+])c(C)c1 ZINC000258871172 384948636 /nfs/dbraw/zinc/94/86/36/384948636.db2.gz ZUOUWMRCJIKHEY-NSHDSACASA-N 1 3 206.333 1.988 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000086256451 385004789 /nfs/dbraw/zinc/00/47/89/385004789.db2.gz GGWUZEJPPSUIQH-CHWSQXEVSA-N 1 3 221.348 1.977 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000310367240 385008798 /nfs/dbraw/zinc/00/87/98/385008798.db2.gz WNBJQRLDPRZVHT-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000310367240 385008804 /nfs/dbraw/zinc/00/88/04/385008804.db2.gz WNBJQRLDPRZVHT-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO CC1(C)[C@H](NCCc2cccnc2)C[C@@H]1[NH3+] ZINC000404779043 385054309 /nfs/dbraw/zinc/05/43/09/385054309.db2.gz MMTLHIAGJGTHDP-NWDGAFQWSA-N 1 3 219.332 1.340 20 0 BDADHO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000340498716 385077953 /nfs/dbraw/zinc/07/79/53/385077953.db2.gz BDVJZLYPKVLCKX-AVGNSLFASA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000340498716 385077957 /nfs/dbraw/zinc/07/79/57/385077957.db2.gz BDVJZLYPKVLCKX-AVGNSLFASA-N 1 3 240.391 1.752 20 0 BDADHO CC[C@H]([NH2+][C@H]1CCN2CCC[C@H]2C1)C(C)(C)O ZINC000340498716 385077965 /nfs/dbraw/zinc/07/79/65/385077965.db2.gz BDVJZLYPKVLCKX-AVGNSLFASA-N 1 3 240.391 1.752 20 0 BDADHO C1CC1[C@H]1CC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423543434 385025326 /nfs/dbraw/zinc/02/53/26/385025326.db2.gz BVMKTESVILOPQP-XQQFMLRXSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)CCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000310536681 385110849 /nfs/dbraw/zinc/11/08/49/385110849.db2.gz RLFHAYQBMCWSJB-MJBXVCDLSA-N 1 3 240.391 1.718 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCC[C@H]1CCCO1 ZINC000404844526 385102860 /nfs/dbraw/zinc/10/28/60/385102860.db2.gz OJDMYHCZZKTFAQ-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO CCN(CC)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000157364334 385150571 /nfs/dbraw/zinc/15/05/71/385150571.db2.gz IOXZGMUXWPMJKN-CYBMUJFWSA-N 1 3 243.395 1.208 20 0 BDADHO C1CC12C[C@@H]2N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370095 385152141 /nfs/dbraw/zinc/15/21/41/385152141.db2.gz CQWAEUVCAKKULF-CYDGBPFRSA-N 1 3 236.359 1.286 20 0 BDADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000157576194 385218687 /nfs/dbraw/zinc/21/86/87/385218687.db2.gz HZRIENURLNBITH-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000157576194 385218692 /nfs/dbraw/zinc/21/86/92/385218692.db2.gz HZRIENURLNBITH-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C([NH2+][C@H]1CCN2CCC[C@@H]2C1)[C@@H]1CCCOC1 ZINC000157576194 385218694 /nfs/dbraw/zinc/21/86/94/385218694.db2.gz HZRIENURLNBITH-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO CCCCOCCN1CC[C@@H](C[NH3+])C1 ZINC000045107895 385245811 /nfs/dbraw/zinc/24/58/11/385245811.db2.gz MJCCCHNWIOXSDQ-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO C[C@@H](C[NH2+]C[C@H]1CCCOC1)CN(C)C ZINC000308898795 385252993 /nfs/dbraw/zinc/25/29/93/385252993.db2.gz JOJMHXQLTFAVBC-NWDGAFQWSA-N 1 3 214.353 1.200 20 0 BDADHO CNCc1ccccc1NC(=O)CCC(C)(C)[NH3+] ZINC000647655105 385344624 /nfs/dbraw/zinc/34/46/24/385344624.db2.gz KOULXZOGBYCLJO-UHFFFAOYSA-N 1 3 249.358 1.862 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCCC(C)(C)C1 ZINC000390505881 385353378 /nfs/dbraw/zinc/35/33/78/385353378.db2.gz WNLJOGFLWJCUCX-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC(C)(C)C1 ZINC000390505881 385353385 /nfs/dbraw/zinc/35/33/85/385353385.db2.gz WNLJOGFLWJCUCX-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO COC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195556 385384973 /nfs/dbraw/zinc/38/49/73/385384973.db2.gz VCEHBRZGTIQUMB-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO COC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000180195556 385384976 /nfs/dbraw/zinc/38/49/76/385384976.db2.gz VCEHBRZGTIQUMB-QWHCGFSZSA-N 1 3 238.375 1.772 20 0 BDADHO Cc1ccc([O-])c(CN2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000228064580 385325171 /nfs/dbraw/zinc/32/51/71/385325171.db2.gz PZIYGENJNIOVTP-MNOVXSKESA-N 1 3 235.331 1.265 20 0 BDADHO Cc1ccc(O)c(CN2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000228064580 385325177 /nfs/dbraw/zinc/32/51/77/385325177.db2.gz PZIYGENJNIOVTP-MNOVXSKESA-N 1 3 235.331 1.265 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000644072851 385420585 /nfs/dbraw/zinc/42/05/85/385420585.db2.gz KCFJNPHOBMKFAM-SKDRFNHKSA-N 1 3 247.342 1.643 20 0 BDADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CCN(C)C ZINC000354484162 385558643 /nfs/dbraw/zinc/55/86/43/385558643.db2.gz CMQHCYZFFIWMES-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@@H](C)[C@H]1CCCO1 ZINC000309453979 385591980 /nfs/dbraw/zinc/59/19/80/385591980.db2.gz QNFHLZMKVOBNQY-QWHCGFSZSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@@H](C)[C@H]1CCCO1 ZINC000309453979 385591984 /nfs/dbraw/zinc/59/19/84/385591984.db2.gz QNFHLZMKVOBNQY-QWHCGFSZSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309453979 385591986 /nfs/dbraw/zinc/59/19/86/385591986.db2.gz QNFHLZMKVOBNQY-QWHCGFSZSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCSCC1 ZINC000307082266 385654183 /nfs/dbraw/zinc/65/41/83/385654183.db2.gz HKAGCSRXNXVDMN-GXSJLCMTSA-N 1 3 214.378 1.612 20 0 BDADHO c1ccc([C@@H]2C[C@@H]2N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000643367027 385655275 /nfs/dbraw/zinc/65/52/75/385655275.db2.gz YCTDPYKCMMDWBS-AJNGGQMLSA-N 1 3 228.339 1.694 20 0 BDADHO CCOC[C@@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414853412 385689145 /nfs/dbraw/zinc/68/91/45/385689145.db2.gz SINIOBBQZSYJCN-YPMHNXCESA-N 1 3 228.380 1.909 20 0 BDADHO C(N[C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCC[NH2+]1 ZINC000414854419 385693346 /nfs/dbraw/zinc/69/33/46/385693346.db2.gz ZJOAPICCBKXLBZ-XQQFMLRXSA-N 1 3 208.349 1.907 20 0 BDADHO C([NH2+][C@H]1CCC[C@@H]1C1CC1)[C@@H]1CCCN1 ZINC000414854419 385693351 /nfs/dbraw/zinc/69/33/51/385693351.db2.gz ZJOAPICCBKXLBZ-XQQFMLRXSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](NCCC[NH+](C)C)[C@H]1CCCO1 ZINC000122602356 385696484 /nfs/dbraw/zinc/69/64/84/385696484.db2.gz SDIWSHIGBCBRIN-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO C[NH2+]C[C@H](C)CNCCC(C)(C)C(=O)OC ZINC000414855078 385699225 /nfs/dbraw/zinc/69/92/25/385699225.db2.gz WCFFQTRMCHRVDE-JTQLQIEISA-N 1 3 230.352 1.021 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000336684390 385671601 /nfs/dbraw/zinc/67/16/01/385671601.db2.gz JYCNMLCZLYNURH-WDEREUQCSA-N 1 3 202.317 1.843 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1 ZINC000128524941 385729206 /nfs/dbraw/zinc/72/92/06/385729206.db2.gz RTSHKKDBNHYXKO-GXTWGEPZSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)C[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000336654880 385740146 /nfs/dbraw/zinc/74/01/46/385740146.db2.gz GXUXKWNTORAQQY-GFCCVEGCSA-N 1 3 228.380 1.467 20 0 BDADHO CCCC[C@@H](COC)NCCC[NH2+]C ZINC000414859421 385740960 /nfs/dbraw/zinc/74/09/60/385740960.db2.gz MVOQQRUEQMFMNQ-NSHDSACASA-N 1 3 202.342 1.391 20 0 BDADHO CCCC[C@@H](COC)[NH2+]CCCNC ZINC000414859421 385740962 /nfs/dbraw/zinc/74/09/62/385740962.db2.gz MVOQQRUEQMFMNQ-NSHDSACASA-N 1 3 202.342 1.391 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)[C@H]1C ZINC000336694844 385741557 /nfs/dbraw/zinc/74/15/57/385741557.db2.gz NPHZPYOTZJYICL-WOPDTQHZSA-N 1 3 214.353 1.199 20 0 BDADHO CN(C)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000309648204 385768349 /nfs/dbraw/zinc/76/83/49/385768349.db2.gz MZPKXGUHUDYNGI-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309648204 385768353 /nfs/dbraw/zinc/76/83/53/385768353.db2.gz MZPKXGUHUDYNGI-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309648204 385768356 /nfs/dbraw/zinc/76/83/56/385768356.db2.gz MZPKXGUHUDYNGI-JHJVBQTASA-N 1 3 225.380 1.010 20 0 BDADHO CCN(CC)CCC[NH2+][C@@](C)(CO)C(C)C ZINC000309670766 385784319 /nfs/dbraw/zinc/78/43/19/385784319.db2.gz VWMKGGMAQHICLG-ZDUSSCGKSA-N 1 3 230.396 1.715 20 0 BDADHO CC[NH+](CC)CCCN[C@@](C)(CO)C(C)C ZINC000309670766 385784322 /nfs/dbraw/zinc/78/43/22/385784322.db2.gz VWMKGGMAQHICLG-ZDUSSCGKSA-N 1 3 230.396 1.715 20 0 BDADHO Cc1nccc(NCC[NH+]2CCCC2)c1Cl ZINC000336653973 385719114 /nfs/dbraw/zinc/71/91/14/385719114.db2.gz JTBNBYZMQJBXRG-UHFFFAOYSA-N 1 3 239.750 1.973 20 0 BDADHO CNCCC[NH2+][C@H](C)CC1CCOCC1 ZINC000414857254 385724985 /nfs/dbraw/zinc/72/49/85/385724985.db2.gz CFSFBGFOVFXRCC-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)CCN1 ZINC000414945142 385799852 /nfs/dbraw/zinc/79/98/52/385799852.db2.gz HXTWCVGDDXTAQZ-GMTAPVOTSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCSC2)CC[NH2+]1 ZINC000414945142 385799859 /nfs/dbraw/zinc/79/98/59/385799859.db2.gz HXTWCVGDDXTAQZ-GMTAPVOTSA-N 1 3 214.378 1.612 20 0 BDADHO COC[C@@]1(CN[C@@H]2CCCC2(C)C)CCC[NH2+]1 ZINC000414946542 385809254 /nfs/dbraw/zinc/80/92/54/385809254.db2.gz SPFSTGXZUKIWOZ-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@@]1(CN[C@H]2CCCC2(C)C)CCC[NH2+]1 ZINC000414946541 385810013 /nfs/dbraw/zinc/81/00/13/385810013.db2.gz SPFSTGXZUKIWOZ-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)CCO1 ZINC000414950901 385819583 /nfs/dbraw/zinc/81/95/83/385819583.db2.gz PEARLJAUWGVNME-YIYPIFLZSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000261855125 385830725 /nfs/dbraw/zinc/83/07/25/385830725.db2.gz PESKJIKAHSDKDU-SNVBAGLBSA-N 1 3 235.331 1.076 20 0 BDADHO C[C@H]1SCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804408 385840733 /nfs/dbraw/zinc/84/07/33/385840733.db2.gz PYFLYCFFYYAVSE-ARHMULMVSA-N 1 3 226.389 1.753 20 0 BDADHO C[C@H](CN[C@@H](C)[C@@H]1CCCO1)C[NH+](C)C ZINC000336706846 385794370 /nfs/dbraw/zinc/79/43/70/385794370.db2.gz ROIXCXGSXWIGTA-WOPDTQHZSA-N 1 3 214.353 1.341 20 0 BDADHO CCc1ncc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000647798671 385796035 /nfs/dbraw/zinc/79/60/35/385796035.db2.gz VJKWEEPBWDVEDJ-IJLUTSLNSA-N 1 3 249.358 1.715 20 0 BDADHO Fc1cncc(CNCCC[C@H]2CCC[NH2+]2)c1 ZINC000414962366 385891341 /nfs/dbraw/zinc/89/13/41/385891341.db2.gz JPRHOSZCLRJGSE-ZDUSSCGKSA-N 1 3 237.322 1.843 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000414967279 385929021 /nfs/dbraw/zinc/92/90/21/385929021.db2.gz HIGPXKWNNDFFEB-GFCCVEGCSA-N 1 3 249.358 1.717 20 0 BDADHO CCCNCC[NH2+][C@H](COC)CC(C)C ZINC000414875498 385896952 /nfs/dbraw/zinc/89/69/52/385896952.db2.gz UNQXYWGWUOMACJ-LBPRGKRZSA-N 1 3 216.369 1.637 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCNCC1(C)C ZINC000647852327 385902302 /nfs/dbraw/zinc/90/23/02/385902302.db2.gz WHPMLFZSXXWKAB-UHFFFAOYSA-N 1 3 236.363 1.265 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCNCC1(C)C ZINC000647852327 385902305 /nfs/dbraw/zinc/90/23/05/385902305.db2.gz WHPMLFZSXXWKAB-UHFFFAOYSA-N 1 3 236.363 1.265 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CCOCC1 ZINC000122307302 385907551 /nfs/dbraw/zinc/90/75/51/385907551.db2.gz ZROPDWXAVBUZMA-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CCOCC1 ZINC000122307302 385907556 /nfs/dbraw/zinc/90/75/56/385907556.db2.gz ZROPDWXAVBUZMA-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H](C[NH3+])CNC/C=C\c1ccccc1 ZINC000414876266 385908707 /nfs/dbraw/zinc/90/87/07/385908707.db2.gz LCAZATUMTDCWLC-JECSTDCCSA-N 1 3 204.317 1.884 20 0 BDADHO CCCCOCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122363523 385912283 /nfs/dbraw/zinc/91/22/83/385912283.db2.gz JYSOKKVUVOIJRY-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228556344 385878131 /nfs/dbraw/zinc/87/81/31/385878131.db2.gz LBUAYSPCHPAQSE-SRVKXCTJSA-N 1 3 228.405 1.847 20 0 BDADHO c1ccc2c(c1)CNCCN2C[C@H]1CC[NH2+]C1 ZINC000647833307 385883125 /nfs/dbraw/zinc/88/31/25/385883125.db2.gz DPBZIUSKNSZFCC-LBPRGKRZSA-N 1 3 231.343 1.206 20 0 BDADHO CCC[C@](C)(N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295193798 385988087 /nfs/dbraw/zinc/98/80/87/385988087.db2.gz JJUTZBVANJRHFH-AWEZNQCLSA-N 1 3 249.358 1.862 20 0 BDADHO Cc1cc(C)cc(CNC[C@@H](C)C[NH3+])c1 ZINC000414881062 385989667 /nfs/dbraw/zinc/98/96/67/385989667.db2.gz RXKKRNPQDPAOSY-LBPRGKRZSA-N 1 3 206.333 1.988 20 0 BDADHO CC1([NH3+])CCN(CCCc2ccncc2)CC1 ZINC000647924223 385941671 /nfs/dbraw/zinc/94/16/71/385941671.db2.gz POSAAZHXQFYNFU-UHFFFAOYSA-N 1 3 233.359 1.827 20 0 BDADHO CO[C@H](CN1CC[C@H](C[NH+](C)C)C1)C1CC1 ZINC000425399845 385949831 /nfs/dbraw/zinc/94/98/31/385949831.db2.gz FDGKFPTYVTURIR-DGCLKSJQSA-N 1 3 226.364 1.295 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000338304735 385951937 /nfs/dbraw/zinc/95/19/37/385951937.db2.gz HKSZJMHPXDWCAF-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000338304735 385951941 /nfs/dbraw/zinc/95/19/41/385951941.db2.gz HKSZJMHPXDWCAF-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+]C[C@@H](C)CN ZINC000414881653 385998362 /nfs/dbraw/zinc/99/83/62/385998362.db2.gz SKKWDXSQDYECMD-WDEREUQCSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@@H](CC[NH3+])NCc1ccc(-n2cncn2)cc1 ZINC000414881822 386004654 /nfs/dbraw/zinc/00/46/54/386004654.db2.gz LEZXLBUPUYPBBN-NSHDSACASA-N 1 3 245.330 1.094 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000295294498 386007733 /nfs/dbraw/zinc/00/77/33/386007733.db2.gz XFOWJFLVPCEIEN-ZDUSSCGKSA-N 1 3 247.342 1.254 20 0 BDADHO COC1(CN2CC[C@@H]([NH3+])[C@H](C)C2)CCCC1 ZINC000309504242 386011757 /nfs/dbraw/zinc/01/17/57/386011757.db2.gz MOAJWTLPQBCLRA-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@@H+]2CC[C@@H](N)[C@H](C)C2)CCCC1 ZINC000309504242 386011765 /nfs/dbraw/zinc/01/17/65/386011765.db2.gz MOAJWTLPQBCLRA-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2CC[C@@H](N)[C@H](C)C2)CCCC1 ZINC000309504242 386011770 /nfs/dbraw/zinc/01/17/70/386011770.db2.gz MOAJWTLPQBCLRA-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO C[NH2+][C@H](C)CNC[C@H](C)CC1CCOCC1 ZINC000414980239 386052666 /nfs/dbraw/zinc/05/26/66/386052666.db2.gz WBUIVELZWUETOZ-VXGBXAGGSA-N 1 3 228.380 1.637 20 0 BDADHO Cc1cnccc1C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000295973715 386117234 /nfs/dbraw/zinc/11/72/34/386117234.db2.gz IUAALAVSUWEYEC-HNNXBMFYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1cnccc1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000295973715 386117244 /nfs/dbraw/zinc/11/72/44/386117244.db2.gz IUAALAVSUWEYEC-HNNXBMFYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1csc(CNCC[C@H]2CCC[NH2+]C2)n1 ZINC000054309205 386117505 /nfs/dbraw/zinc/11/75/05/386117505.db2.gz RTYVMTGELRVFTJ-LLVKDONJSA-N 1 3 239.388 1.931 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000365384068 386071675 /nfs/dbraw/zinc/07/16/75/386071675.db2.gz JNAJBRNAHHZNOH-ZIAGYGMSSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H](C)CCN)CCO1 ZINC000414888531 386098532 /nfs/dbraw/zinc/09/85/32/386098532.db2.gz FGPJBIBYASYWOS-IJLUTSLNSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCNC1 ZINC000414888479 386099749 /nfs/dbraw/zinc/09/97/49/386099749.db2.gz RYSISNKGZQHSDP-ZYHUDNBSSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000164635669 386170569 /nfs/dbraw/zinc/17/05/69/386170569.db2.gz LLHPGXSPCFPGKC-WUHRBBMRSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000164635669 386170574 /nfs/dbraw/zinc/17/05/74/386170574.db2.gz LLHPGXSPCFPGKC-WUHRBBMRSA-N 1 3 226.364 1.362 20 0 BDADHO C(C[NH2+]CCC1CCOCC1)CN1CCCC1 ZINC000310410943 386178159 /nfs/dbraw/zinc/17/81/59/386178159.db2.gz LUPXTGMMCROFDE-UHFFFAOYSA-N 1 3 240.391 1.879 20 0 BDADHO CN1CCN(CC[NH2+]C(C)(C)C)C(C)(C)C1 ZINC000414691943 386189485 /nfs/dbraw/zinc/18/94/85/386189485.db2.gz CFZPVSVSUBWEBJ-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000414674858 386142827 /nfs/dbraw/zinc/14/28/27/386142827.db2.gz SGHWCVMTBJLHJC-QJPTWQEYSA-N 1 3 234.347 1.277 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOc1ccccc1 ZINC000132406714 386235202 /nfs/dbraw/zinc/23/52/02/386235202.db2.gz QSOBLXHFWHDKKA-CHWSQXEVSA-N 1 3 234.343 1.735 20 0 BDADHO CC[C@](C)(CCO)NC[C@@H]([NH3+])CC(C)C ZINC000414713857 386236491 /nfs/dbraw/zinc/23/64/91/386236491.db2.gz URYJMQRIXBKVSB-NWDGAFQWSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)N(C)C ZINC000353512493 386251792 /nfs/dbraw/zinc/25/17/92/386251792.db2.gz CXBKVGMKIJWWJR-RQJABVFESA-N 1 3 239.407 1.399 20 0 BDADHO Cc1noc(CCCN[C@@H](C[NH3+])C(C)(C)C)n1 ZINC000647988065 386293941 /nfs/dbraw/zinc/29/39/41/386293941.db2.gz KPGFMTDOBYWQKZ-JTQLQIEISA-N 1 3 240.351 1.274 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336667777 386295744 /nfs/dbraw/zinc/29/57/44/386295744.db2.gz ORZRJTRQHXHYJH-QWHCGFSZSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)C(C)C)C1 ZINC000336667777 386295749 /nfs/dbraw/zinc/29/57/49/386295749.db2.gz ORZRJTRQHXHYJH-QWHCGFSZSA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000336667777 386295755 /nfs/dbraw/zinc/29/57/55/386295755.db2.gz ORZRJTRQHXHYJH-QWHCGFSZSA-N 1 3 228.380 1.277 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000336667777 386295758 /nfs/dbraw/zinc/29/57/58/386295758.db2.gz ORZRJTRQHXHYJH-QWHCGFSZSA-N 1 3 228.380 1.277 20 0 BDADHO CC[C@@H](COC)[NH2+]CC1=CCN(C)CC1 ZINC000336731573 386325275 /nfs/dbraw/zinc/32/52/75/386325275.db2.gz KUQHIPKERJKCKP-LBPRGKRZSA-N 1 3 212.337 1.263 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)[C@H]1CCOC1 ZINC000336644557 386279208 /nfs/dbraw/zinc/27/92/08/386279208.db2.gz GPYLKKFCILDCJS-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)[C@H]1CCOC1 ZINC000336644557 386279213 /nfs/dbraw/zinc/27/92/13/386279213.db2.gz GPYLKKFCILDCJS-NEPJUHHUSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277171 386340837 /nfs/dbraw/zinc/34/08/37/386340837.db2.gz DCHLUXBCKKIRRF-CHWSQXEVSA-N 1 3 238.375 1.318 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CC3(O)CCC3)CC[C@H]21 ZINC000335277171 386340841 /nfs/dbraw/zinc/34/08/41/386340841.db2.gz DCHLUXBCKKIRRF-CHWSQXEVSA-N 1 3 238.375 1.318 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)CCCCO ZINC000414747075 386350030 /nfs/dbraw/zinc/35/00/30/386350030.db2.gz RQNNLLOVJUNXHZ-NSHDSACASA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)CCCCO ZINC000414747075 386350033 /nfs/dbraw/zinc/35/00/33/386350033.db2.gz RQNNLLOVJUNXHZ-NSHDSACASA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)[NH+]1CCC(N(C)C[C@H](C)O)CC1 ZINC000336689371 386355604 /nfs/dbraw/zinc/35/56/04/386355604.db2.gz CDPPFJITWJSRDB-NSHDSACASA-N 1 3 214.353 1.172 20 0 BDADHO CC1(C)[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H]2CCO[C@@H]21 ZINC000414904919 386357571 /nfs/dbraw/zinc/35/75/71/386357571.db2.gz MVEUWZUUEZPYNJ-XQHKEYJVSA-N 1 3 238.375 1.532 20 0 BDADHO C1CC[C@@H](N[C@H]2CCCOCC2)C[NH2+]C1 ZINC000335272157 386361444 /nfs/dbraw/zinc/36/14/44/386361444.db2.gz YNOVLQIYVBCUSG-NWDGAFQWSA-N 1 3 212.337 1.287 20 0 BDADHO Cc1c[nH]nc1C[NH2+]CCCn1ccnc1C ZINC000289848289 386362093 /nfs/dbraw/zinc/36/20/93/386362093.db2.gz KPTXIFTUIFLXCF-UHFFFAOYSA-N 1 3 233.319 1.403 20 0 BDADHO CCN1C[C@H](C)N(C[C@@H]2CC[NH2+]C2)C[C@H]1C ZINC000647989119 386336935 /nfs/dbraw/zinc/33/69/35/386336935.db2.gz LCKBIKAKBAVQCX-FRRDWIJNSA-N 1 3 225.380 1.010 20 0 BDADHO CC[C@@H]1C[C@H](CN(C)C2CC([NH3+])C2)CCO1 ZINC000414768077 386443567 /nfs/dbraw/zinc/44/35/67/386443567.db2.gz HEWVPTLLSVDGHJ-IKWCTNDRSA-N 1 3 226.364 1.613 20 0 BDADHO c1ccc([C@@H]2CNCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647992616 386447044 /nfs/dbraw/zinc/44/70/44/386447044.db2.gz RZWDVTNVNKMEIY-ZFWWWQNUSA-N 1 3 245.370 1.242 20 0 BDADHO CCOCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488821 386416074 /nfs/dbraw/zinc/41/60/74/386416074.db2.gz IXRYQUSXQHHMJW-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO COCC(C)(C)C[N@H+](C)C1CC(N)C1 ZINC000414775487 386471041 /nfs/dbraw/zinc/47/10/41/386471041.db2.gz MASMBZOSWDGGIK-UHFFFAOYSA-N 1 3 200.326 1.081 20 0 BDADHO COCC(C)(C)C[N@@H+](C)C1CC(N)C1 ZINC000414775487 386471047 /nfs/dbraw/zinc/47/10/47/386471047.db2.gz MASMBZOSWDGGIK-UHFFFAOYSA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415042536 386528853 /nfs/dbraw/zinc/52/88/53/386528853.db2.gz SPXAUKPIEYFLBM-IEECTRCBSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H](C)N ZINC000415011124 386485168 /nfs/dbraw/zinc/48/51/68/386485168.db2.gz QEIDUBHSJFAQGS-NWDGAFQWSA-N 1 3 244.342 1.698 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414780340 386494400 /nfs/dbraw/zinc/49/44/00/386494400.db2.gz LIKUCWYIHKKDKM-UPJWGTAASA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414780340 386494405 /nfs/dbraw/zinc/49/44/05/386494405.db2.gz LIKUCWYIHKKDKM-UPJWGTAASA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1c(Cl)cnn1C ZINC000415018191 386503301 /nfs/dbraw/zinc/50/33/01/386503301.db2.gz TYJCGXZLZXEEAR-VIFPVBQESA-N 1 3 244.770 1.681 20 0 BDADHO Cn1ncc(Cl)c1CN[C@H]1CC[C@H](C[NH3+])C1 ZINC000415051908 386507776 /nfs/dbraw/zinc/50/77/76/386507776.db2.gz ZZBGAFYEXSDVIX-IUCAKERBSA-N 1 3 242.754 1.291 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000415051626 386508209 /nfs/dbraw/zinc/50/82/09/386508209.db2.gz MHCCEMFSEUEZBO-UQOMUDLDSA-N 1 3 230.355 1.988 20 0 BDADHO C1CC1[C@H]1CCCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415043252 386530158 /nfs/dbraw/zinc/53/01/58/386530158.db2.gz TWLHPCAYDZADDD-RGDJUOJXSA-N 1 3 220.360 1.763 20 0 BDADHO CC(C)CC[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000415033168 386518386 /nfs/dbraw/zinc/51/83/86/386518386.db2.gz GQIIZVIDJNEAJK-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)CCCNC[C@H]1C[NH2+]CCCO1 ZINC000415030064 386519894 /nfs/dbraw/zinc/51/98/94/386519894.db2.gz BSDCSGFNZUQQOQ-LBPRGKRZSA-N 1 3 214.353 1.391 20 0 BDADHO CCCC[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000415035971 386524008 /nfs/dbraw/zinc/52/40/08/386524008.db2.gz JMDQVDROYMRDPJ-NWDGAFQWSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000415042075 386527782 /nfs/dbraw/zinc/52/77/82/386527782.db2.gz QEADATFQGKNCQU-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C(C[C@H]1CCOC1)N[C@H]1CCCC[NH2+]C1 ZINC000415076241 386579547 /nfs/dbraw/zinc/57/95/47/386579547.db2.gz RWHFNQODAPUKNF-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000415076366 386581751 /nfs/dbraw/zinc/58/17/51/386581751.db2.gz GIAAQCYMMHTRQX-ZIAGYGMSSA-N 1 3 239.407 1.593 20 0 BDADHO C(NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415045198 386531756 /nfs/dbraw/zinc/53/17/56/386531756.db2.gz SXPIFAPIEWVWRK-CYBMUJFWSA-N 1 3 226.364 1.535 20 0 BDADHO CC(C)(C)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414789204 386535681 /nfs/dbraw/zinc/53/56/81/386535681.db2.gz XYTBQJFGHSSJJU-LBPRGKRZSA-N 1 3 240.391 1.720 20 0 BDADHO CC(C)(C)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414789204 386535684 /nfs/dbraw/zinc/53/56/84/386535684.db2.gz XYTBQJFGHSSJJU-LBPRGKRZSA-N 1 3 240.391 1.720 20 0 BDADHO C[C@H]1CCC[C@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415059490 386541274 /nfs/dbraw/zinc/54/12/74/386541274.db2.gz JITPPCPISYQULP-JZRPKSSGSA-N 1 3 208.349 1.620 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+]CCCNC2CC2)CCO1 ZINC000415066938 386546821 /nfs/dbraw/zinc/54/68/21/386546821.db2.gz JQTTUBCWHKSOQD-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415065918 386546909 /nfs/dbraw/zinc/54/69/09/386546909.db2.gz SPXAUKPIEYFLBM-LBELIVKGSA-N 1 3 208.349 1.619 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762331 386551478 /nfs/dbraw/zinc/55/14/78/386551478.db2.gz AXPHYGUBFQLJIA-BFUDSRACSA-N 1 3 212.337 1.007 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000519762366 386551976 /nfs/dbraw/zinc/55/19/76/386551976.db2.gz AXPHYGUBFQLJIA-LVFLEHKBSA-N 1 3 212.337 1.007 20 0 BDADHO Cn1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cn1 ZINC000063197959 386555619 /nfs/dbraw/zinc/55/56/19/386555619.db2.gz RKUPVEJQJWVVIM-CQSZACIVSA-N 1 3 248.374 1.384 20 0 BDADHO C[C@]1(CNCC2(CCO)CCCC2)CC[NH2+]C1 ZINC000415075622 386568815 /nfs/dbraw/zinc/56/88/15/386568815.db2.gz BTXCEWHNYZUQFE-ZDUSSCGKSA-N 1 3 240.391 1.518 20 0 BDADHO CC[C@@H]([NH2+]C1CCNCC1)[C@H]1CCCO1 ZINC000415075839 386569633 /nfs/dbraw/zinc/56/96/33/386569633.db2.gz FQMOBQFZUBXMLT-VXGBXAGGSA-N 1 3 212.337 1.286 20 0 BDADHO CC[C@@H](NC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000415075839 386569638 /nfs/dbraw/zinc/56/96/38/386569638.db2.gz FQMOBQFZUBXMLT-VXGBXAGGSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@@H](CF)C2)CC[NH2+]1 ZINC000415120678 386633765 /nfs/dbraw/zinc/63/37/65/386633765.db2.gz JAUOZOPUVYZGPF-UTUOFQBUSA-N 1 3 230.327 1.045 20 0 BDADHO C[C@@H](C(=O)Nc1ccc2c(c1)CNC2)[C@H](C)[NH3+] ZINC000335492786 386611963 /nfs/dbraw/zinc/61/19/63/386611963.db2.gz BWMXRARJKNNZLW-BDAKNGLRSA-N 1 3 233.315 1.212 20 0 BDADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000040458080 386660496 /nfs/dbraw/zinc/66/04/96/386660496.db2.gz LRTQEHOYUAUJBL-SNVBAGLBSA-N 1 3 243.395 1.064 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCc1ccc2cncn2c1 ZINC000335530632 386680668 /nfs/dbraw/zinc/68/06/68/386680668.db2.gz AWNZLUPDCQLRET-STQMWFEESA-N 1 3 230.315 1.304 20 0 BDADHO Cn1ncc(Cl)c1CNCC[C@H]1CC[NH2+]C1 ZINC000414825463 386690435 /nfs/dbraw/zinc/69/04/35/386690435.db2.gz CGKJYDOJQMSLGP-SECBINFHSA-N 1 3 242.754 1.163 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2)CCO1 ZINC000414837130 386734841 /nfs/dbraw/zinc/73/48/41/386734841.db2.gz VPBDKWHBEDBUSO-MJBXVCDLSA-N 1 3 240.391 1.779 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483497 386720382 /nfs/dbraw/zinc/72/03/82/386720382.db2.gz SWHRMLJCYZXOFU-DZGCQCFKSA-N 1 3 248.370 1.604 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000247483497 386720391 /nfs/dbraw/zinc/72/03/91/386720391.db2.gz SWHRMLJCYZXOFU-DZGCQCFKSA-N 1 3 248.370 1.604 20 0 BDADHO Cc1c[nH]nc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335545174 386729847 /nfs/dbraw/zinc/72/98/47/386729847.db2.gz XOYPQSXKYRLNNR-GFCCVEGCSA-N 1 3 248.374 1.682 20 0 BDADHO Cc1ccc(CNCC[C@@H]2CC[NH2+]C2)nc1 ZINC000414839870 386745562 /nfs/dbraw/zinc/74/55/62/386745562.db2.gz WRXLUMTWQCNQBB-LBPRGKRZSA-N 1 3 219.332 1.479 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCN2)CCO1 ZINC000414841324 386753706 /nfs/dbraw/zinc/75/37/06/386753706.db2.gz HTYMCSWZVSEQCP-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000192129224 386743658 /nfs/dbraw/zinc/74/36/58/386743658.db2.gz PIUIYZIGMLEROC-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CCN(CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000020179796 386792139 /nfs/dbraw/zinc/79/21/39/386792139.db2.gz NMOOLFIJCMEGJE-UHFFFAOYSA-N 1 3 247.386 1.414 20 0 BDADHO CCc1ccccc1[C@H](N)CNC(=O)C[C@@H](C)[NH3+] ZINC000417832319 386794517 /nfs/dbraw/zinc/79/45/17/386794517.db2.gz LFHDPVSXMCGGFO-ZWNOBZJWSA-N 1 3 249.358 1.102 20 0 BDADHO CC(C)NC1(CO)CC[NH+](CC2CCC2)CC1 ZINC000571175733 386804011 /nfs/dbraw/zinc/80/40/11/386804011.db2.gz LOGHJOJLQKLKKR-UHFFFAOYSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1ncccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000334845198 386892717 /nfs/dbraw/zinc/89/27/17/386892717.db2.gz JOFPFTFREVLZSF-QWHCGFSZSA-N 1 3 219.332 1.750 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414942725 386894412 /nfs/dbraw/zinc/89/44/12/386894412.db2.gz KODUQBAEAAICHC-YDHLFZDLSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@@H](C[NH3+])N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000414942725 386894415 /nfs/dbraw/zinc/89/44/15/386894415.db2.gz KODUQBAEAAICHC-YDHLFZDLSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@@H]1CN(Cc2cccc(N)c2)CC[C@H]1[NH3+] ZINC000335747858 386871285 /nfs/dbraw/zinc/87/12/85/386871285.db2.gz VSULNPLIEPXWJD-ZWNOBZJWSA-N 1 3 219.332 1.438 20 0 BDADHO CC1(C)CCC[NH2+][C@H]1CN[C@H]1CCCOCC1 ZINC000334862268 386914800 /nfs/dbraw/zinc/91/48/00/386914800.db2.gz JQBCZZGPQATRII-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@]1(CN[C@H]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000414942242 386901011 /nfs/dbraw/zinc/90/10/11/386901011.db2.gz JVIHAXWYQFRPDX-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265391 386924582 /nfs/dbraw/zinc/92/45/82/386924582.db2.gz ZUZLJGGHBAKSTJ-GJZGRUSLSA-N 1 3 248.370 1.794 20 0 BDADHO CC[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265391 386924585 /nfs/dbraw/zinc/92/45/85/386924585.db2.gz ZUZLJGGHBAKSTJ-GJZGRUSLSA-N 1 3 248.370 1.794 20 0 BDADHO C[C@]1(C[NH2+]C2CCSCC2)CCCNC1 ZINC000334873697 386935611 /nfs/dbraw/zinc/93/56/11/386935611.db2.gz IHHJWVLJODJBFH-LBPRGKRZSA-N 1 3 228.405 1.861 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000332583620 386993085 /nfs/dbraw/zinc/99/30/85/386993085.db2.gz KCWBFXZBLHOQJB-CYZMBNFOSA-N 1 3 248.374 1.374 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000395205994 386998638 /nfs/dbraw/zinc/99/86/38/386998638.db2.gz ONNBQKKKQUOKAJ-SGMGOOAPSA-N 1 3 239.407 1.589 20 0 BDADHO CCC[C@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332055250 386949575 /nfs/dbraw/zinc/94/95/75/386949575.db2.gz XBJZCIJQECZXGN-SRVKXCTJSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@@H](NCCO)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763869 387058802 /nfs/dbraw/zinc/05/88/02/387058802.db2.gz CEPUASABVJAJSO-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](NCCO)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763869 387058807 /nfs/dbraw/zinc/05/88/07/387058807.db2.gz CEPUASABVJAJSO-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C2CCC2)C1 ZINC000185763869 387058812 /nfs/dbraw/zinc/05/88/12/387058812.db2.gz CEPUASABVJAJSO-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(CO)CC2(CCC2)C1 ZINC000333328224 387029033 /nfs/dbraw/zinc/02/90/33/387029033.db2.gz VRYVJRMXTKUFJI-NEPJUHHUSA-N 1 3 238.375 1.399 20 0 BDADHO C(CN1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCCO1 ZINC000334994872 387086779 /nfs/dbraw/zinc/08/67/79/387086779.db2.gz VSXCLHJKXVVSFR-UONOGXRCSA-N 1 3 238.375 1.631 20 0 BDADHO CC1(F)CC([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000335008424 387102905 /nfs/dbraw/zinc/10/29/05/387102905.db2.gz UAQCUKHYEYHPDR-VKAADOFISA-N 1 3 200.301 1.594 20 0 BDADHO CC1(F)CC(N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000335008424 387102908 /nfs/dbraw/zinc/10/29/08/387102908.db2.gz UAQCUKHYEYHPDR-VKAADOFISA-N 1 3 200.301 1.594 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127378876 387116275 /nfs/dbraw/zinc/11/62/75/387116275.db2.gz ADOUCQHLODLELW-CHWSQXEVSA-N 1 3 232.327 1.636 20 0 BDADHO C([NH2+]C1CCNCC1)[C@H]1CC12CCSCC2 ZINC000335026469 387118839 /nfs/dbraw/zinc/11/88/39/387118839.db2.gz BLQWQBZSVQTEJF-LLVKDONJSA-N 1 3 240.416 1.861 20 0 BDADHO COC[C@@H](NCC1C[NH2+]C1)C1CCCC1 ZINC000423300952 387132145 /nfs/dbraw/zinc/13/21/45/387132145.db2.gz GFYUFJSQGFFSHT-GFCCVEGCSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@@H]([NH2+]CC1CNC1)C1CCCC1 ZINC000423300952 387132150 /nfs/dbraw/zinc/13/21/50/387132150.db2.gz GFYUFJSQGFFSHT-GFCCVEGCSA-N 1 3 212.337 1.001 20 0 BDADHO CN1CCC([NH2+][C@H]2CCCCC[C@H]2N)CC1 ZINC000335029060 387122588 /nfs/dbraw/zinc/12/25/88/387122588.db2.gz LOUVCIXUTKASBM-OLZOCXBDSA-N 1 3 225.380 1.330 20 0 BDADHO CN(C[C@@H]1CCCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250402424 387124746 /nfs/dbraw/zinc/12/47/46/387124746.db2.gz MKZGFYPQAFLVNI-ICIURTGMSA-N 1 3 238.375 1.628 20 0 BDADHO CC[NH+](CC)CCCN1CCCC[C@H](CO)C1 ZINC000370622368 387128601 /nfs/dbraw/zinc/12/86/01/387128601.db2.gz NHFHIHASMMCROV-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCCC[C@H](CO)C1 ZINC000370622368 387128603 /nfs/dbraw/zinc/12/86/03/387128603.db2.gz NHFHIHASMMCROV-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(CC)CCC[N@H+]1CCCC[C@H](CO)C1 ZINC000370622368 387128608 /nfs/dbraw/zinc/12/86/08/387128608.db2.gz NHFHIHASMMCROV-AWEZNQCLSA-N 1 3 242.407 1.813 20 0 BDADHO CC(C)O[C@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000423306162 387141408 /nfs/dbraw/zinc/14/14/08/387141408.db2.gz SFURGYDZYVDAGX-RYUDHWBXSA-N 1 3 226.364 1.388 20 0 BDADHO CC(C)O[C@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C ZINC000423306162 387141413 /nfs/dbraw/zinc/14/14/13/387141413.db2.gz SFURGYDZYVDAGX-RYUDHWBXSA-N 1 3 226.364 1.388 20 0 BDADHO C[C@@H](CCc1ccccc1F)NCC1C[NH2+]C1 ZINC000423306408 387141706 /nfs/dbraw/zinc/14/17/06/387141706.db2.gz SVMPBWUFTNOUEB-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO C[C@@H](CCc1ccccc1F)[NH2+]CC1CNC1 ZINC000423306408 387141710 /nfs/dbraw/zinc/14/17/10/387141710.db2.gz SVMPBWUFTNOUEB-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2C[NH2+]C2)C12CCCC2 ZINC000423308075 387143530 /nfs/dbraw/zinc/14/35/30/387143530.db2.gz XGVIZDKWSIWRFT-QWHCGFSZSA-N 1 3 238.375 1.533 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CC2CNC2)C12CCCC2 ZINC000423308075 387143535 /nfs/dbraw/zinc/14/35/35/387143535.db2.gz XGVIZDKWSIWRFT-QWHCGFSZSA-N 1 3 238.375 1.533 20 0 BDADHO COc1ccc(CC[C@H](C)[NH2+]CC2CNC2)cc1 ZINC000423307702 387144125 /nfs/dbraw/zinc/14/41/25/387144125.db2.gz WLJLHBQPFKJNEZ-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO COc1ccc(CC[C@H](C)NCC2C[NH2+]C2)cc1 ZINC000423307702 387144129 /nfs/dbraw/zinc/14/41/29/387144129.db2.gz WLJLHBQPFKJNEZ-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO CC[C@@H](NC[C@H](C)C[NH3+])c1ccncc1 ZINC000423310225 387147157 /nfs/dbraw/zinc/14/71/57/387147157.db2.gz RKZSHTFNVQYBIM-ZYHUDNBSSA-N 1 3 207.321 1.717 20 0 BDADHO CCC[NH2+]CCN[C@@H](CC)[C@@H]1CCOC1 ZINC000423312363 387149754 /nfs/dbraw/zinc/14/97/54/387149754.db2.gz RRHLXEUIAQMLKN-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CO[C@H](c1ccccc1)[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423314640 387154818 /nfs/dbraw/zinc/15/48/18/387154818.db2.gz YQKBDLKUXDFSJY-OBJOEFQTSA-N 1 3 236.359 1.947 20 0 BDADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423314638 387155221 /nfs/dbraw/zinc/15/52/21/387155221.db2.gz YQKBDLKUXDFSJY-BZPMIXESSA-N 1 3 236.359 1.947 20 0 BDADHO CC1(C)[C@H](NCC2([NH3+])CCC2)[C@@H]2CCCO[C@@H]21 ZINC000423315952 387155928 /nfs/dbraw/zinc/15/59/28/387155928.db2.gz BHSHXVRINXLDOX-TUAOUCFPSA-N 1 3 238.375 1.661 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(C)(CO)CC1 ZINC000186958831 387156211 /nfs/dbraw/zinc/15/62/11/387156211.db2.gz SPQONWNCMBBOOY-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC(C)(CO)CC1 ZINC000186958831 387156217 /nfs/dbraw/zinc/15/62/17/387156217.db2.gz SPQONWNCMBBOOY-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CCO[C@@H]1C[C@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000423338124 387185001 /nfs/dbraw/zinc/18/50/01/387185001.db2.gz VRIWAHKEXHUWLG-NWDGAFQWSA-N 1 3 238.375 1.805 20 0 BDADHO COCCC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423337262 387185651 /nfs/dbraw/zinc/18/56/51/387185651.db2.gz UBXRENGMJGCZCI-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CNC2)cc1 ZINC000423302848 387135797 /nfs/dbraw/zinc/13/57/97/387135797.db2.gz KSVPUQPVRHJMTL-NWDGAFQWSA-N 1 3 248.370 1.996 20 0 BDADHO COc1ccc([C@@H](C)[C@@H](C)NCC2C[NH2+]C2)cc1 ZINC000423302848 387135798 /nfs/dbraw/zinc/13/57/98/387135798.db2.gz KSVPUQPVRHJMTL-NWDGAFQWSA-N 1 3 248.370 1.996 20 0 BDADHO C[C@H](C[NH3+])CN[C@H]1CCc2cc(F)ccc21 ZINC000423303991 387136352 /nfs/dbraw/zinc/13/63/52/387136352.db2.gz XXOXUGNWNFFJJH-RNCFNFMXSA-N 1 3 222.307 1.997 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCC(C)(C)O)CC1 ZINC000370696630 387136915 /nfs/dbraw/zinc/13/69/15/387136915.db2.gz GXVPVKLIQNXRFK-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCC(C)(C)O)CC1 ZINC000370696630 387136920 /nfs/dbraw/zinc/13/69/20/387136920.db2.gz GXVPVKLIQNXRFK-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO C[NH+](C)[C@H]1CCCN(CCC(C)(C)O)CC1 ZINC000370696630 387136926 /nfs/dbraw/zinc/13/69/26/387136926.db2.gz GXVPVKLIQNXRFK-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO C([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C1CNC1 ZINC000423303493 387137219 /nfs/dbraw/zinc/13/72/19/387137219.db2.gz LSQZQMKOAYXOEK-CHWSQXEVSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H](Cc1ccc(F)cc1)NCC1C[NH2+]C1 ZINC000423303502 387137613 /nfs/dbraw/zinc/13/76/13/387137613.db2.gz LTPFZKGLXWUDKT-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CNC1 ZINC000423303502 387137618 /nfs/dbraw/zinc/13/76/18/387137618.db2.gz LTPFZKGLXWUDKT-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CNC2)C1 ZINC000423305829 387141086 /nfs/dbraw/zinc/14/10/86/387141086.db2.gz RSXPXLPZWQLXKU-ZJUUUORDSA-N 1 3 236.281 1.917 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408937 387205628 /nfs/dbraw/zinc/20/56/28/387205628.db2.gz SXASEJPJSIIXQQ-IHRRRGAJSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408937 387205633 /nfs/dbraw/zinc/20/56/33/387205633.db2.gz SXASEJPJSIIXQQ-IHRRRGAJSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)(CCO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300408661 387205937 /nfs/dbraw/zinc/20/59/37/387205937.db2.gz GRIQLGRTLQTMKY-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(CCO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300408661 387205939 /nfs/dbraw/zinc/20/59/39/387205939.db2.gz GRIQLGRTLQTMKY-OLZOCXBDSA-N 1 3 240.391 1.611 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C1(CC)CC ZINC000423360675 387213564 /nfs/dbraw/zinc/21/35/64/387213564.db2.gz GDWOLBIZHJALJN-SDDRHHMPSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000393673906 387230731 /nfs/dbraw/zinc/23/07/31/387230731.db2.gz SCJOQYHKMRJNOF-RYUDHWBXSA-N 1 3 242.407 1.891 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCOC[C@@H]1C1CC1 ZINC000336409231 387238703 /nfs/dbraw/zinc/23/87/03/387238703.db2.gz NZTXOAFWMHHFQI-CYBMUJFWSA-N 1 3 224.348 1.097 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C1CCCC1 ZINC000423407745 387242721 /nfs/dbraw/zinc/24/27/21/387242721.db2.gz WJAHQVSTQFCRJP-YUTCNCBUSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)C1CCCC1 ZINC000423407745 387242727 /nfs/dbraw/zinc/24/27/27/387242727.db2.gz WJAHQVSTQFCRJP-YUTCNCBUSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423410323 387246696 /nfs/dbraw/zinc/24/66/96/387246696.db2.gz ZZEFKECNULSFNL-XGFWRYKXSA-N 1 3 239.407 1.303 20 0 BDADHO CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000423428387 387253923 /nfs/dbraw/zinc/25/39/23/387253923.db2.gz ONWVXPVXISZBMT-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423375679 387256538 /nfs/dbraw/zinc/25/65/38/387256538.db2.gz DBPWQWLJHKDTAQ-UPJWGTAASA-N 1 3 239.407 1.304 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423379776 387262758 /nfs/dbraw/zinc/26/27/58/387262758.db2.gz NFDBZERMYJTJLC-MMWGEVLESA-N 1 3 200.326 1.140 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000423379776 387262761 /nfs/dbraw/zinc/26/27/61/387262761.db2.gz NFDBZERMYJTJLC-MMWGEVLESA-N 1 3 200.326 1.140 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000423382806 387265852 /nfs/dbraw/zinc/26/58/52/387265852.db2.gz PDTOFDBIQURVPR-QNWHQSFQSA-N 1 3 225.380 1.057 20 0 BDADHO COCC1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC000423382189 387266415 /nfs/dbraw/zinc/26/64/15/387266415.db2.gz OCLWRKZSQTVNCN-ABXWRUBCSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@H](C)C2)C12CCC2 ZINC000423385803 387268083 /nfs/dbraw/zinc/26/80/83/387268083.db2.gz RBJMNDYRAIMFSC-MROQNXINSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C12CCC2 ZINC000423385803 387268091 /nfs/dbraw/zinc/26/80/91/387268091.db2.gz RBJMNDYRAIMFSC-MROQNXINSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000423386524 387270067 /nfs/dbraw/zinc/27/00/67/387270067.db2.gz HGQBVNMJPYGHEF-IJLUTSLNSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389127 387274058 /nfs/dbraw/zinc/27/40/58/387274058.db2.gz NIEFRMJOMOYQGK-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](N[C@H](C)CCCC[NH3+])c1nccn1C ZINC000423435052 387286870 /nfs/dbraw/zinc/28/68/70/387286870.db2.gz ONLPPJWQAGWTDH-VXGBXAGGSA-N 1 3 238.379 1.978 20 0 BDADHO C1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C2(C1)CCOCC2 ZINC000423438276 387288213 /nfs/dbraw/zinc/28/82/13/387288213.db2.gz RBJLFVUNFOSGQH-QNWHQSFQSA-N 1 3 236.359 1.143 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000353995187 387307524 /nfs/dbraw/zinc/30/75/24/387307524.db2.gz HHHSDSFHKLFTLM-GWCFXTLKSA-N 1 3 237.347 1.455 20 0 BDADHO Cc1cc(CCN[C@H]2CC[N@H+](C)C[C@@H]2C)on1 ZINC000353995187 387307526 /nfs/dbraw/zinc/30/75/26/387307526.db2.gz HHHSDSFHKLFTLM-GWCFXTLKSA-N 1 3 237.347 1.455 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CN1C1CC1 ZINC000643501582 387356048 /nfs/dbraw/zinc/35/60/48/387356048.db2.gz LLYREGGCYPXKEL-FRRDWIJNSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423527238 387356707 /nfs/dbraw/zinc/35/67/07/387356707.db2.gz MCUNTUVGWFCISZ-JQWIXIFHSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@@H](NCCC1=CC[NH2+]CC1)c1ccn(C)n1 ZINC000423534858 387361758 /nfs/dbraw/zinc/36/17/58/387361758.db2.gz BCSIRYCMNJVZCU-CYBMUJFWSA-N 1 3 248.374 1.771 20 0 BDADHO COc1ccc(C[C@H](C)N[C@@H](C)[C@@H](C)[NH3+])cn1 ZINC000423481121 387363622 /nfs/dbraw/zinc/36/36/22/387363622.db2.gz WQVYIZFFXFRLFU-AXFHLTTASA-N 1 3 237.347 1.347 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H](CC)C1(C(=O)OC)CCC1 ZINC000423481621 387363823 /nfs/dbraw/zinc/36/38/23/387363823.db2.gz XAHKGKWOSZCDIH-MNOVXSKESA-N 1 3 242.363 1.435 20 0 BDADHO C[C@H](NC[C@H]1Cc2ccccc21)C1C[NH2+]C1 ZINC000643453701 387371565 /nfs/dbraw/zinc/37/15/65/387371565.db2.gz UEHLVSOJXBCBKL-CMPLNLGQSA-N 1 3 216.328 1.524 20 0 BDADHO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)C1CNC1 ZINC000643453701 387371568 /nfs/dbraw/zinc/37/15/68/387371568.db2.gz UEHLVSOJXBCBKL-CMPLNLGQSA-N 1 3 216.328 1.524 20 0 BDADHO CC[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000423572641 387381216 /nfs/dbraw/zinc/38/12/16/387381216.db2.gz YMQRESVQEGRMPD-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](N[C@@H]1CCN(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643462909 387320663 /nfs/dbraw/zinc/32/06/63/387320663.db2.gz YFGKGOTXMRPPDA-MRVWCRGKSA-N 1 3 237.391 1.201 20 0 BDADHO Cc1cc(N)cc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423483111 387328522 /nfs/dbraw/zinc/32/85/22/387328522.db2.gz RZZHDQOXVCYQRT-JSGCOSHPSA-N 1 3 233.359 1.794 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]([NH3+])CC)C12CCC2 ZINC000423484559 387330906 /nfs/dbraw/zinc/33/09/06/387330906.db2.gz YOMPYIVYWZRSSJ-IJLUTSLNSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423491611 387336775 /nfs/dbraw/zinc/33/67/75/387336775.db2.gz JYIICMFRDCINSB-AAEUAGOBSA-N 1 3 238.331 1.179 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](C[NH3+])C1)c1ccncc1F ZINC000423500174 387340500 /nfs/dbraw/zinc/34/05/00/387340500.db2.gz IHGZHRYHYHYMRX-AXFHLTTASA-N 1 3 237.322 1.999 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)CN(C)C ZINC000309813163 387352925 /nfs/dbraw/zinc/35/29/25/387352925.db2.gz ZSISRTLQAFTQMU-RVMXOQNASA-N 1 3 228.380 1.730 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](CO)C1CCCC1 ZINC000352679009 387434917 /nfs/dbraw/zinc/43/49/17/387434917.db2.gz OROVDJPUGNZXCG-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)CCCN[C@H](CO)C1CCCC1 ZINC000352679009 387434920 /nfs/dbraw/zinc/43/49/20/387434920.db2.gz OROVDJPUGNZXCG-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000361395724 387454516 /nfs/dbraw/zinc/45/45/16/387454516.db2.gz BDIWSPHLWKBZKK-KBPBESRZSA-N 1 3 241.423 1.791 20 0 BDADHO CO[C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475462 387508202 /nfs/dbraw/zinc/50/82/02/387508202.db2.gz UZMNUYFYVLDVTQ-YIPFDTCYSA-N 1 3 238.375 1.817 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000395940641 387514473 /nfs/dbraw/zinc/51/44/73/387514473.db2.gz KVRXDJIYEOUXPT-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO CC[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCOC1 ZINC000310228285 387535593 /nfs/dbraw/zinc/53/55/93/387535593.db2.gz OKOARCCEFWFVJW-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470992 387477713 /nfs/dbraw/zinc/47/77/13/387477713.db2.gz FNGYGIOXNILQJO-MQYQWHSLSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000643474454 387490382 /nfs/dbraw/zinc/49/03/82/387490382.db2.gz PLFDAOFLLPBVCR-SLEUVZQESA-N 1 3 248.370 1.349 20 0 BDADHO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H](C)C1CNC1 ZINC000643474454 387490389 /nfs/dbraw/zinc/49/03/89/387490389.db2.gz PLFDAOFLLPBVCR-SLEUVZQESA-N 1 3 248.370 1.349 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CCc1cccnc1 ZINC000123716318 387592594 /nfs/dbraw/zinc/59/25/94/387592594.db2.gz SCZLPEQXBLBAHQ-CQSZACIVSA-N 1 3 235.375 1.929 20 0 BDADHO C[C@@H](CC(N)=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000122722105 387593049 /nfs/dbraw/zinc/59/30/49/387593049.db2.gz DBJYRWHUPMYSPO-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CC(N)=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000122722105 387593050 /nfs/dbraw/zinc/59/30/50/387593050.db2.gz DBJYRWHUPMYSPO-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](CC(N)=O)[NH2+]CCCN1CCCC[C@@H]1C ZINC000122722105 387593053 /nfs/dbraw/zinc/59/30/53/387593053.db2.gz DBJYRWHUPMYSPO-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CO[C@H]1CCC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000643515697 387608941 /nfs/dbraw/zinc/60/89/41/387608941.db2.gz RGMMZRXFYMNPBM-SRVKXCTJSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)OCCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430578847 387629385 /nfs/dbraw/zinc/62/93/85/387629385.db2.gz BNWJDQBJGXJZDU-QWHCGFSZSA-N 1 3 228.380 1.861 20 0 BDADHO CCC(CC)[C@H](O)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422700557 387614835 /nfs/dbraw/zinc/61/48/35/387614835.db2.gz ACFSPLNNBJDNBS-JBLDHEPKSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701028 387615113 /nfs/dbraw/zinc/61/51/13/387615113.db2.gz HWEKKYPFHVFWPT-PEBLQZBPSA-N 1 3 240.391 1.907 20 0 BDADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCO1 ZINC000422700692 387615132 /nfs/dbraw/zinc/61/51/32/387615132.db2.gz HGVQLRNJZTYNOG-ZGVCCVRISA-N 1 3 224.348 1.428 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422698706 387616347 /nfs/dbraw/zinc/61/63/47/387616347.db2.gz APEIROXVHHAFAO-WOPDTQHZSA-N 1 3 214.353 1.247 20 0 BDADHO C[C@@H](Cc1cccs1)NCC1C[NH2+]C1 ZINC000643515978 387616635 /nfs/dbraw/zinc/61/66/35/387616635.db2.gz FDBUSAMLUXOYTB-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO C[C@@H](Cc1cccs1)[NH2+]CC1CNC1 ZINC000643515978 387616641 /nfs/dbraw/zinc/61/66/41/387616641.db2.gz FDBUSAMLUXOYTB-VIFPVBQESA-N 1 3 210.346 1.488 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCN(C)CC(F)(F)F ZINC000422704027 387619035 /nfs/dbraw/zinc/61/90/35/387619035.db2.gz JPFZNAVKJUZTSF-BDAKNGLRSA-N 1 3 241.301 1.196 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000422706671 387620977 /nfs/dbraw/zinc/62/09/77/387620977.db2.gz UUYHJSKSCFFOMD-BFHYXJOUSA-N 1 3 240.391 1.645 20 0 BDADHO C1CC2(C1)NCC[C@H]2[NH2+][C@@H]1CCCOCC1 ZINC000527533407 387624358 /nfs/dbraw/zinc/62/43/58/387624358.db2.gz VGVAGWOPLSRZCS-VXGBXAGGSA-N 1 3 224.348 1.430 20 0 BDADHO c1ccc2c(c1)CCC[C@H]([NH2+]CC1CNC1)C2 ZINC000643516538 387626703 /nfs/dbraw/zinc/62/67/03/387626703.db2.gz MDMCGCFQZQWBCW-HNNXBMFYSA-N 1 3 230.355 1.743 20 0 BDADHO c1ccc2c(c1)CCC[C@H](NCC1C[NH2+]C1)C2 ZINC000643516538 387626709 /nfs/dbraw/zinc/62/67/09/387626709.db2.gz MDMCGCFQZQWBCW-HNNXBMFYSA-N 1 3 230.355 1.743 20 0 BDADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](N)C(C)C ZINC000037001259 387556919 /nfs/dbraw/zinc/55/69/19/387556919.db2.gz HEDFQGSHYVOUPK-NWDGAFQWSA-N 1 3 243.395 1.062 20 0 BDADHO CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000422721622 387633538 /nfs/dbraw/zinc/63/35/38/387633538.db2.gz VVCFBPMYIRYRKJ-UONOGXRCSA-N 1 3 233.359 1.722 20 0 BDADHO CCCCN(C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422719456 387634112 /nfs/dbraw/zinc/63/41/12/387634112.db2.gz YEIBNUNKEXZUFT-CHWSQXEVSA-N 1 3 227.396 1.306 20 0 BDADHO COCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422727964 387635049 /nfs/dbraw/zinc/63/50/49/387635049.db2.gz DWWZNNKVSAEFDO-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CCn1ccnc1 ZINC000376502099 387643435 /nfs/dbraw/zinc/64/34/35/387643435.db2.gz NZMWRBGBDHBHBE-ZIAGYGMSSA-N 1 3 248.374 1.442 20 0 BDADHO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCn1ccnc1 ZINC000376502099 387643438 /nfs/dbraw/zinc/64/34/38/387643438.db2.gz NZMWRBGBDHBHBE-ZIAGYGMSSA-N 1 3 248.374 1.442 20 0 BDADHO C[N@H+](CCCN1CCCCC1)C[C@H]1CCCO1 ZINC000125100853 387643380 /nfs/dbraw/zinc/64/33/80/387643380.db2.gz IYRSPALLCRFUOO-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[N@@H+](CCCN1CCCCC1)C[C@H]1CCCO1 ZINC000125100853 387643384 /nfs/dbraw/zinc/64/33/84/387643384.db2.gz IYRSPALLCRFUOO-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCn1ccnc1 ZINC000376502096 387644068 /nfs/dbraw/zinc/64/40/68/387644068.db2.gz NZMWRBGBDHBHBE-KGLIPLIRSA-N 1 3 248.374 1.442 20 0 BDADHO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCn1ccnc1 ZINC000376502096 387644073 /nfs/dbraw/zinc/64/40/73/387644073.db2.gz NZMWRBGBDHBHBE-KGLIPLIRSA-N 1 3 248.374 1.442 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccccn1 ZINC000422736947 387644819 /nfs/dbraw/zinc/64/48/19/387644819.db2.gz YWRRYOJZUPTEPW-JSGCOSHPSA-N 1 3 233.359 1.602 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)c1ccccc1 ZINC000422740628 387647332 /nfs/dbraw/zinc/64/73/32/387647332.db2.gz NWIXSOCALYTKQH-BFHYXJOUSA-N 1 3 234.343 1.844 20 0 BDADHO CCN(CC)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422749167 387652853 /nfs/dbraw/zinc/65/28/53/387652853.db2.gz XVQLAJUOQMCNEJ-STQMWFEESA-N 1 3 227.396 1.306 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422750339 387656045 /nfs/dbraw/zinc/65/60/45/387656045.db2.gz CTWLYAKQRNDCEE-RDBSUJKOSA-N 1 3 239.407 1.720 20 0 BDADHO CCCC[C@@H](COC)N[C@@H](C)C1C[NH2+]C1 ZINC000422749839 387656225 /nfs/dbraw/zinc/65/62/25/387656225.db2.gz BCTOMCQACMIFHK-JQWIXIFHSA-N 1 3 214.353 1.389 20 0 BDADHO CCCC[C@@H](COC)[NH2+][C@@H](C)C1CNC1 ZINC000422749839 387656230 /nfs/dbraw/zinc/65/62/30/387656230.db2.gz BCTOMCQACMIFHK-JQWIXIFHSA-N 1 3 214.353 1.389 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000422750722 387656858 /nfs/dbraw/zinc/65/68/58/387656858.db2.gz DOGPBINQZWJKHE-OLZOCXBDSA-N 1 3 220.316 1.535 20 0 BDADHO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000422753269 387658819 /nfs/dbraw/zinc/65/88/19/387658819.db2.gz FYHSSXNBZVJJET-VHDGCEQUSA-N 1 3 248.370 1.837 20 0 BDADHO Cc1cc(CNCC2=CC[N@H+](C)CC2)ccn1 ZINC000527683202 387659019 /nfs/dbraw/zinc/65/90/19/387659019.db2.gz KHDSTCVJYYKRIB-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO Cc1cc(CNCC2=CC[N@@H+](C)CC2)ccn1 ZINC000527683202 387659020 /nfs/dbraw/zinc/65/90/20/387659020.db2.gz KHDSTCVJYYKRIB-UHFFFAOYSA-N 1 3 231.343 1.742 20 0 BDADHO CC[C@H](N)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000430887390 387659467 /nfs/dbraw/zinc/65/94/67/387659467.db2.gz FQMTYTKTCGXEMK-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO C[NH2+]CC1CCN(CCOCC2CC2)CC1 ZINC000430928294 387662891 /nfs/dbraw/zinc/66/28/91/387662891.db2.gz SRXBGZDJABDGIP-UHFFFAOYSA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)(O)CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000362861199 387665707 /nfs/dbraw/zinc/66/57/07/387665707.db2.gz XHJUDPNWEUOXFJ-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)(O)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000362861199 387665716 /nfs/dbraw/zinc/66/57/16/387665716.db2.gz XHJUDPNWEUOXFJ-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)(O)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000362861199 387665722 /nfs/dbraw/zinc/66/57/22/387665722.db2.gz XHJUDPNWEUOXFJ-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO COc1ccccc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422763559 387666317 /nfs/dbraw/zinc/66/63/17/387666317.db2.gz OVNWRXPNZSDWQC-RYUDHWBXSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccccc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000422763559 387666320 /nfs/dbraw/zinc/66/63/20/387666320.db2.gz OVNWRXPNZSDWQC-RYUDHWBXSA-N 1 3 236.359 1.953 20 0 BDADHO Cc1cc(C)n(CCC[NH2+][C@@H](C)C[C@H](C)N)n1 ZINC000422764984 387666769 /nfs/dbraw/zinc/66/67/69/387666769.db2.gz VQWIAPYAGDNIPZ-QWRGUYRKSA-N 1 3 238.379 1.605 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)CC(C)(C)C ZINC000422767026 387668865 /nfs/dbraw/zinc/66/88/65/387668865.db2.gz SAKJUFDZGRJVDL-UPJWGTAASA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000422767026 387668871 /nfs/dbraw/zinc/66/88/71/387668871.db2.gz SAKJUFDZGRJVDL-UPJWGTAASA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422773243 387671269 /nfs/dbraw/zinc/67/12/69/387671269.db2.gz ZNFFDQKSURHMMS-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422775633 387672055 /nfs/dbraw/zinc/67/20/55/387672055.db2.gz AWEDGEJEDQOJFC-HNGCFSAESA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCOCC1CC1 ZINC000422777579 387675930 /nfs/dbraw/zinc/67/59/30/387675930.db2.gz CKVGEMZRXVQJBZ-YPMHNXCESA-N 1 3 226.364 1.391 20 0 BDADHO CCCCOCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422784656 387682832 /nfs/dbraw/zinc/68/28/32/387682832.db2.gz QBONTBHSYACZIV-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422785003 387683258 /nfs/dbraw/zinc/68/32/58/387683258.db2.gz QLOWDFNWVOZHLU-GRYCIOLGSA-N 1 3 214.353 1.110 20 0 BDADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000422783521 387684192 /nfs/dbraw/zinc/68/41/92/387684192.db2.gz OFQAFGBGCOVDOF-LPWJVIDDSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccccc1 ZINC000422744014 387690188 /nfs/dbraw/zinc/69/01/88/387690188.db2.gz JONWPIXMNGEBLW-NEPJUHHUSA-N 1 3 206.333 1.945 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000422744014 387690192 /nfs/dbraw/zinc/69/01/92/387690192.db2.gz JONWPIXMNGEBLW-NEPJUHHUSA-N 1 3 206.333 1.945 20 0 BDADHO CC(C)COCCC[NH2+][C@@H](C)C1CNC1 ZINC000422788306 387691401 /nfs/dbraw/zinc/69/14/01/387691401.db2.gz RDKVKCWBNAQOBZ-NSHDSACASA-N 1 3 214.353 1.247 20 0 BDADHO CC(C)COCCCN[C@@H](C)C1C[NH2+]C1 ZINC000422788306 387691407 /nfs/dbraw/zinc/69/14/07/387691407.db2.gz RDKVKCWBNAQOBZ-NSHDSACASA-N 1 3 214.353 1.247 20 0 BDADHO CCN(CC)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422744855 387693957 /nfs/dbraw/zinc/69/39/57/387693957.db2.gz KYCGGKNFWUHXJS-QWRGUYRKSA-N 1 3 201.358 1.044 20 0 BDADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422806363 387704873 /nfs/dbraw/zinc/70/48/73/387704873.db2.gz KMRXSBOXCGKSBI-JHJVBQTASA-N 1 3 228.380 1.635 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)C(C)C ZINC000422806363 387704879 /nfs/dbraw/zinc/70/48/79/387704879.db2.gz KMRXSBOXCGKSBI-JHJVBQTASA-N 1 3 228.380 1.635 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCCCC1 ZINC000422808648 387708488 /nfs/dbraw/zinc/70/84/88/387708488.db2.gz LHKGKYXMFHNENW-CHWSQXEVSA-N 1 3 225.380 1.060 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCCCC1 ZINC000422809355 387709318 /nfs/dbraw/zinc/70/93/18/387709318.db2.gz MBRVFQZBBVRSQQ-ZIAGYGMSSA-N 1 3 239.407 1.450 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000422812827 387711689 /nfs/dbraw/zinc/71/16/89/387711689.db2.gz RBGZPTZLSXAPEW-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO CO[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC000422815202 387715219 /nfs/dbraw/zinc/71/52/19/387715219.db2.gz XFRZEUGFCRGJQE-ZGVCCVRISA-N 1 3 240.391 1.920 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCc1cn2ccccc2n1 ZINC000422816491 387715827 /nfs/dbraw/zinc/71/58/27/387715827.db2.gz FLKQPFTUKVKAEQ-QWHCGFSZSA-N 1 3 244.342 1.346 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877134 387755395 /nfs/dbraw/zinc/75/53/95/387755395.db2.gz RBJJWJFLIZZDDN-UVLXDEKHSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422877134 387755399 /nfs/dbraw/zinc/75/53/99/387755399.db2.gz RBJJWJFLIZZDDN-UVLXDEKHSA-N 1 3 237.391 1.057 20 0 BDADHO COC1CCC(C[NH2+][C@@H](C)[C@H]2CCCN2)CC1 ZINC000422828866 387722273 /nfs/dbraw/zinc/72/22/73/387722273.db2.gz BNPGYIFEIFDZSP-GFJIZPEISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](N[C@@H](C)CN1CCCCC1)C1C[NH2+]C1 ZINC000422829708 387723342 /nfs/dbraw/zinc/72/33/42/387723342.db2.gz HSHTVWODOPKVJY-NWDGAFQWSA-N 1 3 225.380 1.058 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128055568 387734938 /nfs/dbraw/zinc/73/49/38/387734938.db2.gz BKWOOHWOWJEPAX-CHWSQXEVSA-N 1 3 240.391 1.754 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128055568 387734946 /nfs/dbraw/zinc/73/49/46/387734946.db2.gz BKWOOHWOWJEPAX-CHWSQXEVSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H]1CCCN(CC[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000422857805 387741577 /nfs/dbraw/zinc/74/15/77/387741577.db2.gz HXYWABPUPVJNIJ-AGIUHOORSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@@H]1CCCN(CC[NH2+][C@H]2CCC[C@H]2N)C1 ZINC000422857808 387742245 /nfs/dbraw/zinc/74/22/45/387742245.db2.gz HXYWABPUPVJNIJ-UPJWGTAASA-N 1 3 225.380 1.188 20 0 BDADHO COCCC1(C[NH2+][C@@H](C)C2CNC2)CCCC1 ZINC000422891942 387762980 /nfs/dbraw/zinc/76/29/80/387762980.db2.gz WYRSSBMWUKZKHS-LBPRGKRZSA-N 1 3 240.391 1.781 20 0 BDADHO COCCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCC1 ZINC000422890629 387763078 /nfs/dbraw/zinc/76/30/78/387763078.db2.gz SRPQNPRORKUEMP-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000129107301 387764750 /nfs/dbraw/zinc/76/47/50/387764750.db2.gz DBNRQVQADPTEBZ-REWJHTLYSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](NC[C@@H](C)[NH3+])C1(C)C ZINC000643527519 387765045 /nfs/dbraw/zinc/76/50/45/387765045.db2.gz NWPUWFPYVHMYCU-GRYCIOLGSA-N 1 3 228.380 1.763 20 0 BDADHO CCC1(CC)[C@H](NC[C@H](C)[NH3+])C[C@H]1OC ZINC000643527509 387766172 /nfs/dbraw/zinc/76/61/72/387766172.db2.gz NTPHGAGCTSAXLZ-HBNTYKKESA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CCCC1 ZINC000422904376 387767464 /nfs/dbraw/zinc/76/74/64/387767464.db2.gz XGHQNYVDGHVBEX-WCFLWFBJSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000643528820 387772622 /nfs/dbraw/zinc/77/26/22/387772622.db2.gz PLFHSWZBSUMVPL-OUJBWJOFSA-N 1 3 204.317 1.857 20 0 BDADHO Cc1cccc(NCCN[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000422917482 387774096 /nfs/dbraw/zinc/77/40/96/387774096.db2.gz FASDECYBRFAHMX-ZYHUDNBSSA-N 1 3 236.363 1.517 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000643528163 387775246 /nfs/dbraw/zinc/77/52/46/387775246.db2.gz DTJWBSYKRXWURU-YDHLFZDLSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000643528163 387775249 /nfs/dbraw/zinc/77/52/49/387775249.db2.gz DTJWBSYKRXWURU-YDHLFZDLSA-N 1 3 247.386 1.759 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000422920066 387775509 /nfs/dbraw/zinc/77/55/09/387775509.db2.gz LNMPKJZHPNSNIZ-SDDRHHMPSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000422920232 387776270 /nfs/dbraw/zinc/77/62/70/387776270.db2.gz LZCYFABOSPRDJU-VWYCJHECSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCSC1 ZINC000422920232 387776274 /nfs/dbraw/zinc/77/62/74/387776274.db2.gz LZCYFABOSPRDJU-VWYCJHECSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H](CO)[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000157296826 387781039 /nfs/dbraw/zinc/78/10/39/387781039.db2.gz UHWHQDPSACDLKS-KPXOXKRLSA-N 1 3 206.289 1.102 20 0 BDADHO CCC1(CC)[C@H](N[C@H](C)C2C[NH2+]C2)C[C@@H]1OC ZINC000422938010 387783622 /nfs/dbraw/zinc/78/36/22/387783622.db2.gz KLXGQNUEUPTVQU-RTXFEEFZSA-N 1 3 240.391 1.778 20 0 BDADHO CCC1(CC)[C@H]([NH2+][C@H](C)C2CNC2)C[C@@H]1OC ZINC000422938010 387783628 /nfs/dbraw/zinc/78/36/28/387783628.db2.gz KLXGQNUEUPTVQU-RTXFEEFZSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H]1CN ZINC000422899670 387785520 /nfs/dbraw/zinc/78/55/20/387785520.db2.gz IBFQQMRIRLDDQN-VOAKCMCISA-N 1 3 226.364 1.661 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1N ZINC000422902038 387787316 /nfs/dbraw/zinc/78/73/16/387787316.db2.gz COAZESYODFHXKH-UPJWGTAASA-N 1 3 225.380 1.330 20 0 BDADHO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422982240 387792944 /nfs/dbraw/zinc/79/29/44/387792944.db2.gz WHXOGHJOLULUJC-IHRRRGAJSA-N 1 3 242.407 1.891 20 0 BDADHO COCCC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422986847 387795251 /nfs/dbraw/zinc/79/52/51/387795251.db2.gz DLRPKLBVUKZJGY-RYUDHWBXSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985314 387796595 /nfs/dbraw/zinc/79/65/95/387796595.db2.gz DBTFGLGSXWIEMK-SWLSCSKDSA-N 1 3 248.370 1.912 20 0 BDADHO OCCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000157449016 387797791 /nfs/dbraw/zinc/79/77/91/387797791.db2.gz RDLVTIBAYQNYFY-CHWSQXEVSA-N 1 3 238.375 1.365 20 0 BDADHO OCCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000157449016 387797796 /nfs/dbraw/zinc/79/77/96/387797796.db2.gz RDLVTIBAYQNYFY-CHWSQXEVSA-N 1 3 238.375 1.365 20 0 BDADHO CCOc1cccc(CCN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422992447 387799383 /nfs/dbraw/zinc/79/93/83/387799383.db2.gz CJPJCFQQZMBYBY-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO CCOc1cccc(CC[NH2+][C@@H](C)C2CNC2)c1 ZINC000422992447 387799387 /nfs/dbraw/zinc/79/93/87/387799387.db2.gz CJPJCFQQZMBYBY-LBPRGKRZSA-N 1 3 248.370 1.825 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000422990971 387801156 /nfs/dbraw/zinc/80/11/56/387801156.db2.gz OVOHPDPJBYVIAW-VOAKCMCISA-N 1 3 225.380 1.044 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000527975240 387813197 /nfs/dbraw/zinc/81/31/97/387813197.db2.gz SKACMEXZNXQANE-QNSTZXKLSA-N 1 3 240.391 1.872 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000527975240 387813199 /nfs/dbraw/zinc/81/31/99/387813199.db2.gz SKACMEXZNXQANE-QNSTZXKLSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)CCO1 ZINC000422999332 387804477 /nfs/dbraw/zinc/80/44/77/387804477.db2.gz XSQVMBIGPQHPDI-AAVRWANBSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527998238 387806359 /nfs/dbraw/zinc/80/63/59/387806359.db2.gz KXDQACVWTAULRE-SYQHCUMBSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)O[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000527998238 387806360 /nfs/dbraw/zinc/80/63/60/387806360.db2.gz KXDQACVWTAULRE-SYQHCUMBSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccco1 ZINC000422963126 387813423 /nfs/dbraw/zinc/81/34/23/387813423.db2.gz HPBJKKBRWDEBSN-DGCLKSJQSA-N 1 3 222.332 1.800 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC1(C)C ZINC000422956503 387809735 /nfs/dbraw/zinc/80/97/35/387809735.db2.gz PSYFZFXUWRQXCH-USZNOCQGSA-N 1 3 226.364 1.374 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000422883165 387758519 /nfs/dbraw/zinc/75/85/19/387758519.db2.gz BSQBQSWXOTWFGM-KIJLLGNVSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000643527050 387760956 /nfs/dbraw/zinc/76/09/56/387760956.db2.gz CGFGHOLDIPYJPE-YDHLFZDLSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000643527050 387760960 /nfs/dbraw/zinc/76/09/60/387760960.db2.gz CGFGHOLDIPYJPE-YDHLFZDLSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)N[C@@H]1CCC[C@H]1[NH3+] ZINC000422975875 387825630 /nfs/dbraw/zinc/82/56/30/387825630.db2.gz HOYQPJUINHBMDC-LERXQTSPSA-N 1 3 234.343 1.793 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCc1c[nH]c2ncccc12 ZINC000423005604 387828826 /nfs/dbraw/zinc/82/88/26/387828826.db2.gz SKYLTZIALDKPDY-CHWSQXEVSA-N 1 3 244.342 1.575 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNc1ccccn1 ZINC000423008186 387831669 /nfs/dbraw/zinc/83/16/69/387831669.db2.gz SNTHHFVTNLSRML-STQMWFEESA-N 1 3 248.374 1.471 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000423010791 387834310 /nfs/dbraw/zinc/83/43/10/387834310.db2.gz YIQCIHYQFBEVQM-OCCSQVGLSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccncc1 ZINC000423010791 387834312 /nfs/dbraw/zinc/83/43/12/387834312.db2.gz YIQCIHYQFBEVQM-OCCSQVGLSA-N 1 3 233.359 1.602 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(CO)CC1 ZINC000643459332 387835346 /nfs/dbraw/zinc/83/53/46/387835346.db2.gz NZNXRPVDMCFLQH-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCO[C@@H]1C1CC1 ZINC000423013663 387835735 /nfs/dbraw/zinc/83/57/35/387835735.db2.gz NEPSFKBURDZWQX-FSZOTQKASA-N 1 3 212.337 1.269 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCO[C@H]1C1CC1 ZINC000423013666 387836822 /nfs/dbraw/zinc/83/68/22/387836822.db2.gz NEPSFKBURDZWQX-XPXLGCRWSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCSCC(F)(F)F ZINC000423018964 387841263 /nfs/dbraw/zinc/84/12/63/387841263.db2.gz SQXXOLLTEIBEGH-SFYZADRCSA-N 1 3 244.326 1.997 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCSCC(F)(F)F ZINC000423016853 387842252 /nfs/dbraw/zinc/84/22/52/387842252.db2.gz NKFJQKVYIVKMSN-SFYZADRCSA-N 1 3 242.310 1.751 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000423032429 387848689 /nfs/dbraw/zinc/84/86/89/387848689.db2.gz MSKFOGCTURNMKS-ZDEQEGDKSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034161 387849115 /nfs/dbraw/zinc/84/91/15/387849115.db2.gz PMIFKRZYGLBJDQ-YIPFDTCYSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032428 387849441 /nfs/dbraw/zinc/84/94/41/387849441.db2.gz MSKFOGCTURNMKS-WUHRBBMRSA-N 1 3 225.380 1.057 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC1Cc2ccccc2C1 ZINC000423031907 387849638 /nfs/dbraw/zinc/84/96/38/387849638.db2.gz DWNSPLILUPUUEE-WDEREUQCSA-N 1 3 218.344 1.869 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C1Cc2ccccc2C1 ZINC000423031907 387849643 /nfs/dbraw/zinc/84/96/43/387849643.db2.gz DWNSPLILUPUUEE-WDEREUQCSA-N 1 3 218.344 1.869 20 0 BDADHO C[C@H](CN1CCCCCC1)N[C@@H]1CC[NH2+]C1 ZINC000423045092 387855460 /nfs/dbraw/zinc/85/54/60/387855460.db2.gz BKOQHUXERASUAI-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1CCCCO1 ZINC000423051015 387859189 /nfs/dbraw/zinc/85/91/89/387859189.db2.gz ZLNKGRILUBWWAU-YFKTTZPYSA-N 1 3 214.353 1.659 20 0 BDADHO CCn1cc([C@@H](C)N[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534806 387860514 /nfs/dbraw/zinc/86/05/14/387860514.db2.gz DALJZUOOVJFSEC-DGCLKSJQSA-N 1 3 248.374 1.696 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(CO)CCCC1 ZINC000423054168 387862418 /nfs/dbraw/zinc/86/24/18/387862418.db2.gz UACXRYIBCAFPIW-MNOVXSKESA-N 1 3 212.337 1.009 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000423003094 387862713 /nfs/dbraw/zinc/86/27/13/387862713.db2.gz GXMKXSXESSLCGA-CYDGBPFRSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)C(F)(F)F ZINC000423053650 387862761 /nfs/dbraw/zinc/86/27/61/387862761.db2.gz SEBYPEUVPUARLR-BWZBUEFSSA-N 1 3 210.243 1.654 20 0 BDADHO CN(C)C1(C[NH2+][C@@H]2CCCCC[C@@H]2N)CCC1 ZINC000423059075 387864610 /nfs/dbraw/zinc/86/46/10/387864610.db2.gz KZKYYYBPETXQRN-QWHCGFSZSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@H]1CCCCN1 ZINC000423061981 387866666 /nfs/dbraw/zinc/86/66/66/387866666.db2.gz LXVXXQXYICLIRO-YNEHKIRRSA-N 1 3 248.374 1.318 20 0 BDADHO CC[C@H](NCC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000423063694 387867822 /nfs/dbraw/zinc/86/78/22/387867822.db2.gz XGGVAFUSKBVWMJ-STQMWFEESA-N 1 3 239.407 1.591 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423065211 387869759 /nfs/dbraw/zinc/86/97/59/387869759.db2.gz BBPXBPYSDRJTRM-WDEREUQCSA-N 1 3 214.353 1.397 20 0 BDADHO CC1(C)CCCN(CC[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000423070517 387871168 /nfs/dbraw/zinc/87/11/68/387871168.db2.gz CYLYFIVCZFSKIJ-STQMWFEESA-N 1 3 239.407 1.578 20 0 BDADHO CC1(C)CCCN(CCN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000423070517 387871171 /nfs/dbraw/zinc/87/11/71/387871171.db2.gz CYLYFIVCZFSKIJ-STQMWFEESA-N 1 3 239.407 1.578 20 0 BDADHO CCOC1CC(CC[NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000423069752 387871709 /nfs/dbraw/zinc/87/17/09/387871709.db2.gz LZCAIBZLNMKADJ-IALDZJHCSA-N 1 3 228.380 1.907 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000527974819 387814370 /nfs/dbraw/zinc/81/43/70/387814370.db2.gz PLNMPGXTBXXCCO-SYQHCUMBSA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527974819 387814375 /nfs/dbraw/zinc/81/43/75/387814375.db2.gz PLNMPGXTBXXCCO-SYQHCUMBSA-N 1 3 240.391 1.874 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NC[C@@H](O)Cc1ccccc1 ZINC000423103228 387889559 /nfs/dbraw/zinc/88/95/59/387889559.db2.gz FZZJUDFXOWLTGS-QLFBSQMISA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423103228 387889564 /nfs/dbraw/zinc/88/95/64/387889564.db2.gz FZZJUDFXOWLTGS-QLFBSQMISA-N 1 3 248.370 1.307 20 0 BDADHO C[C@@H]1CSC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107592 387890903 /nfs/dbraw/zinc/89/09/03/387890903.db2.gz KZOGGVKIZJWVAA-NXQJVVEESA-N 1 3 226.389 1.611 20 0 BDADHO C[C@H](NC[C@H]1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423105382 387891473 /nfs/dbraw/zinc/89/14/73/387891473.db2.gz IIWJBYHCRASBLV-XJFOESAGSA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000423112171 387895063 /nfs/dbraw/zinc/89/50/63/387895063.db2.gz RNMPJWGVGJHGRW-QEYWKRMJSA-N 1 3 218.291 1.747 20 0 BDADHO CC(C)SCCN[C@H](C)C1C[NH2+]C1 ZINC000423115032 387895217 /nfs/dbraw/zinc/89/52/17/387895217.db2.gz WXYNCPLUZAMANO-SECBINFHSA-N 1 3 202.367 1.326 20 0 BDADHO CC(C)SCC[NH2+][C@H](C)C1CNC1 ZINC000423115032 387895224 /nfs/dbraw/zinc/89/52/24/387895224.db2.gz WXYNCPLUZAMANO-SECBINFHSA-N 1 3 202.367 1.326 20 0 BDADHO C[C@@H]1CC(CC[NH2+][C@H]2CCNC2)C[C@@H](C)O1 ZINC000423115401 387897042 /nfs/dbraw/zinc/89/70/42/387897042.db2.gz NFURSSCDWSGQBT-WZRBSPASSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423073905 387875161 /nfs/dbraw/zinc/87/51/61/387875161.db2.gz SONWTBNHXVBDJS-WRWGMCAJSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](NC[C@@](C)(O)C1CCCCC1)C1C[NH2+]C1 ZINC000423083883 387877919 /nfs/dbraw/zinc/87/79/19/387877919.db2.gz ZJEPPFDPBDLPQO-BXUZGUMPSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)C1CNC1 ZINC000423083883 387877926 /nfs/dbraw/zinc/87/79/26/387877926.db2.gz ZJEPPFDPBDLPQO-BXUZGUMPSA-N 1 3 240.391 1.515 20 0 BDADHO COCC[C@H]([NH2+][C@H](C)C1CNC1)C(C)(C)C ZINC000423117600 387898705 /nfs/dbraw/zinc/89/87/05/387898705.db2.gz WERJHRHAEDFTMO-PWSUYJOCSA-N 1 3 228.380 1.635 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423099026 387887282 /nfs/dbraw/zinc/88/72/82/387887282.db2.gz ABHOXLUJXYFAHI-AVGNSLFASA-N 1 3 228.380 1.229 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000423103559 387889414 /nfs/dbraw/zinc/88/94/14/387889414.db2.gz LDBJLHLMRHCFTK-RYUDHWBXSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCC1(O)CCC1 ZINC000423103559 387889417 /nfs/dbraw/zinc/88/94/17/387889417.db2.gz LDBJLHLMRHCFTK-RYUDHWBXSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCCSC1 ZINC000423119577 387901501 /nfs/dbraw/zinc/90/15/01/387901501.db2.gz DYXZRWGYTRIOTO-AXFHLTTASA-N 1 3 216.394 1.845 20 0 BDADHO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCC[C@@H]1N ZINC000423120956 387901682 /nfs/dbraw/zinc/90/16/82/387901682.db2.gz ACOMJNXZDJTNAK-SRVKXCTJSA-N 1 3 241.379 1.008 20 0 BDADHO CCC[C@H](C)C(=O)NCCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423124694 387902598 /nfs/dbraw/zinc/90/25/98/387902598.db2.gz GZXSWHWPLDECNH-TUAOUCFPSA-N 1 3 243.395 1.254 20 0 BDADHO F[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNCC2)C1 ZINC000423123279 387903588 /nfs/dbraw/zinc/90/35/88/387903588.db2.gz KXPJWHHWZCIBJZ-OUAUKWLOSA-N 1 3 200.301 1.609 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000423125681 387904717 /nfs/dbraw/zinc/90/47/17/387904717.db2.gz NVVOSTSGDUTHPH-RHYQMDGZSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1COc2ccccc21 ZINC000423129526 387907860 /nfs/dbraw/zinc/90/78/60/387907860.db2.gz XGJSLCAZMGDVPJ-QJPTWQEYSA-N 1 3 234.343 1.878 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1COc2ccccc21 ZINC000423129526 387907865 /nfs/dbraw/zinc/90/78/65/387907865.db2.gz XGJSLCAZMGDVPJ-QJPTWQEYSA-N 1 3 234.343 1.878 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000423131541 387908936 /nfs/dbraw/zinc/90/89/36/387908936.db2.gz OCFUBGUKKXZKIS-YUMQZZPRSA-N 1 3 206.280 1.747 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423131416 387909176 /nfs/dbraw/zinc/90/91/76/387909176.db2.gz SVMGAPUCXBKICZ-FVCCEPFGSA-N 1 3 228.380 1.501 20 0 BDADHO COCC(C)(C)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423136197 387914550 /nfs/dbraw/zinc/91/45/50/387914550.db2.gz UVTAUYYHJDILQU-NXEZZACHSA-N 1 3 202.342 1.374 20 0 BDADHO CC(C)(CN[C@H]1CCC[C@@H]1[NH3+])C1(O)CCCC1 ZINC000423157868 387937321 /nfs/dbraw/zinc/93/73/21/387937321.db2.gz BTICYTLJJLWTHB-RYUDHWBXSA-N 1 3 240.391 1.787 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCC1(F)F ZINC000423154930 387935149 /nfs/dbraw/zinc/93/51/49/387935149.db2.gz PPYXYFNQDCPBGO-IVZWLZJFSA-N 1 3 218.291 1.891 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423157106 387936340 /nfs/dbraw/zinc/93/63/40/387936340.db2.gz AHKJAXNJDIJJKY-NZEXEKPDSA-N 1 3 224.348 1.020 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423163830 387922541 /nfs/dbraw/zinc/92/25/41/387922541.db2.gz NOLWXUKMZJZUCV-NDBYEHHHSA-N 1 3 226.364 1.659 20 0 BDADHO CC[C@H](N[C@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150242 387927077 /nfs/dbraw/zinc/92/70/77/387927077.db2.gz BIPIUBGHQBRGOX-AGIUHOORSA-N 1 3 228.380 1.658 20 0 BDADHO CC[C@H]([NH2+][C@H](C)CCCCO)[C@@H]1CCCN1 ZINC000423150242 387927078 /nfs/dbraw/zinc/92/70/78/387927078.db2.gz BIPIUBGHQBRGOX-AGIUHOORSA-N 1 3 228.380 1.658 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]1F ZINC000423149805 387927177 /nfs/dbraw/zinc/92/71/77/387927177.db2.gz XWJWBTGENFMPSZ-VPOLOUISSA-N 1 3 200.301 1.594 20 0 BDADHO COC[C@H](CCC[NH3+])N[C@@H]1CCC[C@@H]1F ZINC000423149170 387927660 /nfs/dbraw/zinc/92/76/60/387927660.db2.gz XHOQXBIRCFNMEK-GARJFASQSA-N 1 3 218.316 1.221 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@H]1CCC[C@H]1F ZINC000423149808 387927974 /nfs/dbraw/zinc/92/79/74/387927974.db2.gz XWJWBTGENFMPSZ-ZNSHCXBVSA-N 1 3 200.301 1.594 20 0 BDADHO C[C@H]([C@@H]1CC[NH2+]C1)N1CCC[C@@]2(CCOC2)C1 ZINC000423167114 387952008 /nfs/dbraw/zinc/95/20/08/387952008.db2.gz WMKSVEHKIYIEAZ-MGPQQGTHSA-N 1 3 238.375 1.487 20 0 BDADHO CCO[C@@H]1CCC[C@H]1N[C@@H](C)C[C@H](C)[NH3+] ZINC000423167961 387952667 /nfs/dbraw/zinc/95/26/67/387952667.db2.gz SXMLKLHMEIPSFY-NNYUYHANSA-N 1 3 214.353 1.659 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423168473 387954284 /nfs/dbraw/zinc/95/42/84/387954284.db2.gz XZTCFHUNCSWIKR-SYQHCUMBSA-N 1 3 240.391 1.515 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000424235808 387941212 /nfs/dbraw/zinc/94/12/12/387941212.db2.gz IJRSVEZSWNJGSO-JTQLQIEISA-N 1 3 235.331 1.520 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000423160490 387941813 /nfs/dbraw/zinc/94/18/13/387941813.db2.gz HLZRYGDGBXNRJV-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423160490 387941817 /nfs/dbraw/zinc/94/18/17/387941817.db2.gz HLZRYGDGBXNRJV-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)C2CCC2)c1 ZINC000424242362 387942158 /nfs/dbraw/zinc/94/21/58/387942158.db2.gz OSEVRPPCTVGECL-CYBMUJFWSA-N 1 3 247.342 1.520 20 0 BDADHO CC[C@H](C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)OC ZINC000423165957 387949466 /nfs/dbraw/zinc/94/94/66/387949466.db2.gz YNEXBUJWVGZDMM-JBLDHEPKSA-N 1 3 214.353 1.245 20 0 BDADHO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)C1CNC1)OC ZINC000423165957 387949471 /nfs/dbraw/zinc/94/94/71/387949471.db2.gz YNEXBUJWVGZDMM-JBLDHEPKSA-N 1 3 214.353 1.245 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000423165846 387950533 /nfs/dbraw/zinc/95/05/33/387950533.db2.gz QMPLEYAVISWWCE-JLLWLGSASA-N 1 3 212.337 1.140 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000423165846 387950540 /nfs/dbraw/zinc/95/05/40/387950540.db2.gz QMPLEYAVISWWCE-JLLWLGSASA-N 1 3 212.337 1.140 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423167067 387950803 /nfs/dbraw/zinc/95/08/03/387950803.db2.gz WDZOKLLONBHSJY-SYQHCUMBSA-N 1 3 240.391 1.645 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423167064 387951046 /nfs/dbraw/zinc/95/10/46/387951046.db2.gz WDZOKLLONBHSJY-DGAVXFQQSA-N 1 3 240.391 1.645 20 0 BDADHO CCO[C@@H]1CCC[C@H]1N[C@H](C)C[C@@H](C)[NH3+] ZINC000423167959 387951609 /nfs/dbraw/zinc/95/16/09/387951609.db2.gz SXMLKLHMEIPSFY-DDHJBXDOSA-N 1 3 214.353 1.659 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccc2cncn2c1 ZINC000423172447 387959676 /nfs/dbraw/zinc/95/96/76/387959676.db2.gz SYCKXIODLJABKH-OCCSQVGLSA-N 1 3 244.342 1.551 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNCC[C@@H]2C)CS1 ZINC000423183546 387968627 /nfs/dbraw/zinc/96/86/27/387968627.db2.gz MOPVDDHFZMDUNR-USZNOCQGSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)CS1 ZINC000423183546 387968630 /nfs/dbraw/zinc/96/86/30/387968630.db2.gz MOPVDDHFZMDUNR-USZNOCQGSA-N 1 3 228.405 1.858 20 0 BDADHO CO[C@@H](c1ccccc1)[C@@H](C)NCCC[NH3+] ZINC000423183824 387969529 /nfs/dbraw/zinc/96/95/29/387969529.db2.gz HWDZNGNJJCWFQO-DGCLKSJQSA-N 1 3 222.332 1.701 20 0 BDADHO CCC1(CC)[C@H]([NH2+]CCCN)C[C@@H]1OC ZINC000423190021 387972795 /nfs/dbraw/zinc/97/27/95/387972795.db2.gz NESLCJZIGLHLHK-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CCC1(CC)[C@H](NCCC[NH3+])C[C@@H]1OC ZINC000423190021 387972799 /nfs/dbraw/zinc/97/27/99/387972799.db2.gz NESLCJZIGLHLHK-MNOVXSKESA-N 1 3 214.353 1.519 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423192138 387977463 /nfs/dbraw/zinc/97/74/63/387977463.db2.gz PNQPUFPZAPUQDI-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO CCO[C@H]1C[C@H](NCCC[NH2+]C)C12CCCC2 ZINC000423202217 387987821 /nfs/dbraw/zinc/98/78/21/387987821.db2.gz QHVZLNJOZAGVPF-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423201219 387988137 /nfs/dbraw/zinc/98/81/37/387988137.db2.gz OBRUFALNVHRTNZ-YNEHKIRRSA-N 1 3 238.375 1.533 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423201219 387988142 /nfs/dbraw/zinc/98/81/42/387988142.db2.gz OBRUFALNVHRTNZ-YNEHKIRRSA-N 1 3 238.375 1.533 20 0 BDADHO [NH3+]CCCN[C@H]1CCCNc2ccccc21 ZINC000423197160 387982552 /nfs/dbraw/zinc/98/25/52/387982552.db2.gz YDVURJYNTVRGCC-ZDUSSCGKSA-N 1 3 219.332 1.872 20 0 BDADHO CNCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423201215 387987138 /nfs/dbraw/zinc/98/71/38/387987138.db2.gz OBRUFALNVHRTNZ-FRRDWIJNSA-N 1 3 238.375 1.533 20 0 BDADHO C[NH2+]CCCN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423201215 387987142 /nfs/dbraw/zinc/98/71/42/387987142.db2.gz OBRUFALNVHRTNZ-FRRDWIJNSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])[C@H](C)O1 ZINC000424373219 387997694 /nfs/dbraw/zinc/99/76/94/387997694.db2.gz JDMIODVQJYAAPN-IYKVGLELSA-N 1 3 212.337 1.412 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1N[C@H]1CCCSC1 ZINC000424374119 387998674 /nfs/dbraw/zinc/99/86/74/387998674.db2.gz YNBZYVYAINFCPR-HBNTYKKESA-N 1 3 214.378 1.742 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218918 388000651 /nfs/dbraw/zinc/00/06/51/388000651.db2.gz SLHXWTJDRBKJCK-YFKTTZPYSA-N 1 3 214.353 1.388 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423218918 388000656 /nfs/dbraw/zinc/00/06/56/388000656.db2.gz SLHXWTJDRBKJCK-YFKTTZPYSA-N 1 3 214.353 1.388 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423226417 388009037 /nfs/dbraw/zinc/00/90/37/388009037.db2.gz QPZRDRRWOQUKMS-YFKTTZPYSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423226417 388009040 /nfs/dbraw/zinc/00/90/40/388009040.db2.gz QPZRDRRWOQUKMS-YFKTTZPYSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423226415 388009095 /nfs/dbraw/zinc/00/90/95/388009095.db2.gz QPZRDRRWOQUKMS-NNYUYHANSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423226415 388009100 /nfs/dbraw/zinc/00/91/00/388009100.db2.gz QPZRDRRWOQUKMS-NNYUYHANSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@@H](NCC[C@H](C)[NH3+])c1cccc(CO)c1 ZINC000423226797 388011365 /nfs/dbraw/zinc/01/13/65/388011365.db2.gz SIKZQYCGIOSGNF-WDEREUQCSA-N 1 3 222.332 1.567 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)Cc1ccoc1)CN(C)C ZINC000453227167 388016106 /nfs/dbraw/zinc/01/61/06/388016106.db2.gz CURABRLIBAITPO-NEPJUHHUSA-N 1 3 224.348 1.998 20 0 BDADHO C[C@H](CN[C@@H](C)Cc1ccoc1)C[NH+](C)C ZINC000453227167 388016109 /nfs/dbraw/zinc/01/61/09/388016109.db2.gz CURABRLIBAITPO-NEPJUHHUSA-N 1 3 224.348 1.998 20 0 BDADHO CC(C)OCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252789917 135111189 /nfs/dbraw/zinc/11/11/89/135111189.db2.gz YHVYZVYHIKVTIX-WDEREUQCSA-N 1 3 200.326 1.081 20 0 BDADHO CC[NH2+]CCN[C@H](CC)[C@@H]1CCOC1 ZINC000423252501 388034245 /nfs/dbraw/zinc/03/42/45/388034245.db2.gz XSAWHABLTXVZPG-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423251030 388034435 /nfs/dbraw/zinc/03/44/35/388034435.db2.gz VJGGAJAHOUCUHU-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423270006 388035683 /nfs/dbraw/zinc/03/56/83/388035683.db2.gz WGGOFZRSVMWWCH-DRZSPHRISA-N 1 3 226.364 1.661 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000423256372 388036858 /nfs/dbraw/zinc/03/68/58/388036858.db2.gz BSTYDMJZMWZXGF-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCSC1 ZINC000261527410 135151677 /nfs/dbraw/zinc/15/16/77/135151677.db2.gz AVZOJQYGYCJSHS-MXWKQRLJSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCSC1 ZINC000261527410 135151679 /nfs/dbraw/zinc/15/16/79/135151679.db2.gz AVZOJQYGYCJSHS-MXWKQRLJSA-N 1 3 214.378 1.409 20 0 BDADHO CNC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265449 388043669 /nfs/dbraw/zinc/04/36/69/388043669.db2.gz RCMJRQPTNSKTIZ-JQWIXIFHSA-N 1 3 241.379 1.008 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000423266172 388043751 /nfs/dbraw/zinc/04/37/51/388043751.db2.gz CYJIOESYAFTMEY-IRCOFANPSA-N 1 3 228.380 1.491 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000423266172 388043754 /nfs/dbraw/zinc/04/37/54/388043754.db2.gz CYJIOESYAFTMEY-IRCOFANPSA-N 1 3 228.380 1.491 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CNC)[C@@H]1CCOC1 ZINC000423266098 388043768 /nfs/dbraw/zinc/04/37/68/388043768.db2.gz CTBUPHSHZMZNSS-UTUOFQBUSA-N 1 3 214.353 1.247 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCCN1)[C@@H]1CCOC1 ZINC000423245036 388028667 /nfs/dbraw/zinc/02/86/67/388028667.db2.gz YAROSUBSCYKAJP-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCN1)C1CCSCC1 ZINC000423246341 388029915 /nfs/dbraw/zinc/02/99/15/388029915.db2.gz ZENHJMQWNAJABX-CMPLNLGQSA-N 1 3 228.405 1.860 20 0 BDADHO C[NH2+]CCN[C@H](C)C1CCSCC1 ZINC000423248458 388031294 /nfs/dbraw/zinc/03/12/94/388031294.db2.gz QNXSOEBWGWOJKH-SECBINFHSA-N 1 3 202.367 1.327 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H](COC)C(C)C ZINC000423284650 388066768 /nfs/dbraw/zinc/06/67/68/388066768.db2.gz YQBMBPVWAWBYJN-WDEREUQCSA-N 1 3 202.342 1.103 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H](Cn1cccn1)C(C)C ZINC000423284689 388067710 /nfs/dbraw/zinc/06/77/10/388067710.db2.gz YSZXCVGXUSLBAG-STQMWFEESA-N 1 3 238.379 1.353 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423284689 388067712 /nfs/dbraw/zinc/06/77/12/388067712.db2.gz YSZXCVGXUSLBAG-STQMWFEESA-N 1 3 238.379 1.353 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H](C)C[NH2+]C)C12CCC2 ZINC000423285040 388069062 /nfs/dbraw/zinc/06/90/62/388069062.db2.gz ZFADSKDUEDFEEO-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)[C@H](Cn1cccn1)NC[C@@H]([NH3+])C(C)C ZINC000423285925 388069641 /nfs/dbraw/zinc/06/96/41/388069641.db2.gz ZTXNTHMRRFCVMN-OLZOCXBDSA-N 1 3 238.379 1.481 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NCC(C)(C)[NH3+] ZINC000423286792 388070326 /nfs/dbraw/zinc/07/03/26/388070326.db2.gz IUFVNKHJFNIHOZ-WDEREUQCSA-N 1 3 228.380 1.907 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423289322 388074362 /nfs/dbraw/zinc/07/43/62/388074362.db2.gz WTQBLWRGYPYSTG-IJLUTSLNSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H](O)[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000118946532 388099714 /nfs/dbraw/zinc/09/97/14/388099714.db2.gz JBTDPOFJKGJVML-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423269132 388047631 /nfs/dbraw/zinc/04/76/31/388047631.db2.gz GREAMFRDGUILDQ-QJPTWQEYSA-N 1 3 225.380 1.057 20 0 BDADHO CC(C)C[C@H](CN)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000423269605 388049722 /nfs/dbraw/zinc/04/97/22/388049722.db2.gz VXIJHSVNEMPMBT-FRRDWIJNSA-N 1 3 227.396 1.432 20 0 BDADHO C[C@H](Cc1ccoc1)NCCC[NH+](C)C ZINC000449062966 388137655 /nfs/dbraw/zinc/13/76/55/388137655.db2.gz LBVUWGWLYFFOAM-LLVKDONJSA-N 1 3 210.321 1.752 20 0 BDADHO CCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103320 388143089 /nfs/dbraw/zinc/14/30/89/388143089.db2.gz BWZHTJXXIBWSNR-UHFFFAOYSA-N 1 3 212.337 1.193 20 0 BDADHO C[NH+]1CCC2(CC1)CN(CC1CC1)CCO2 ZINC000646104625 388143519 /nfs/dbraw/zinc/14/35/19/388143519.db2.gz IPAHHJWUCUEDMW-UHFFFAOYSA-N 1 3 224.348 1.193 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)NC2CC2)cc1 ZINC000449129242 388146062 /nfs/dbraw/zinc/14/60/62/388146062.db2.gz URFZSJYFJCJKIA-ZJUUUORDSA-N 1 3 247.342 1.785 20 0 BDADHO CC(C)[C@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468536 388216315 /nfs/dbraw/zinc/21/63/15/388216315.db2.gz IQGOOUDHTHFPLP-MFKMUULPSA-N 1 3 249.358 1.306 20 0 BDADHO CCC[C@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000489468823 388217110 /nfs/dbraw/zinc/21/71/10/388217110.db2.gz JIIQQCIQMBNPBF-MFKMUULPSA-N 1 3 249.358 1.450 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CCC(=O)NC1(C)C ZINC000517918496 256554266 /nfs/dbraw/zinc/55/42/66/256554266.db2.gz UFCSRRJUHBOBPP-LLVKDONJSA-N 1 3 241.379 1.021 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000449620339 388244637 /nfs/dbraw/zinc/24/46/37/388244637.db2.gz URNZCFUPWOFDTL-GFCCVEGCSA-N 1 3 249.358 1.718 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449631361 388246390 /nfs/dbraw/zinc/24/63/90/388246390.db2.gz KNUCGNPVKAUGGD-WZRBSPASSA-N 1 3 241.379 1.138 20 0 BDADHO CO[C@@H]1C[N@H+](CC(C)(C)N)CC[C@H]1C ZINC000261529191 135154753 /nfs/dbraw/zinc/15/47/53/135154753.db2.gz QDZUJMFRRGTMMC-NXEZZACHSA-N 1 3 200.326 1.081 20 0 BDADHO CO[C@@H]1C[N@@H+](CC(C)(C)N)CC[C@H]1C ZINC000261529191 135154755 /nfs/dbraw/zinc/15/47/55/135154755.db2.gz QDZUJMFRRGTMMC-NXEZZACHSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C(C)C ZINC000336663620 388262181 /nfs/dbraw/zinc/26/21/81/388262181.db2.gz CPKPLUPSNKASLC-WOPDTQHZSA-N 1 3 214.353 1.245 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000336663620 388262184 /nfs/dbraw/zinc/26/21/84/388262184.db2.gz CPKPLUPSNKASLC-WOPDTQHZSA-N 1 3 214.353 1.245 20 0 BDADHO Cn1nccc1CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000300066180 388348834 /nfs/dbraw/zinc/34/88/34/388348834.db2.gz QBMLAGXPFHSJDH-YUTCNCBUSA-N 1 3 248.374 1.022 20 0 BDADHO COc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000404803012 388356862 /nfs/dbraw/zinc/35/68/62/388356862.db2.gz WELZOJUWURKQOH-ZIAGYGMSSA-N 1 3 248.370 1.953 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)c1cccnc1)CN(C)C ZINC000293655453 388357201 /nfs/dbraw/zinc/35/72/01/388357201.db2.gz LPDJUKIMZNZKFJ-RYUDHWBXSA-N 1 3 221.348 1.930 20 0 BDADHO C[C@H](C[NH2+]Cc1ccn(C)c1)CN(C)C ZINC000291628477 388376495 /nfs/dbraw/zinc/37/64/95/388376495.db2.gz AGKODVIXIORDQE-LLVKDONJSA-N 1 3 209.337 1.312 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000393374032 388380131 /nfs/dbraw/zinc/38/01/31/388380131.db2.gz IZVMSUUCAJLOKS-STQMWFEESA-N 1 3 242.407 1.892 20 0 BDADHO NCc1cccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c1 ZINC000646578793 388388777 /nfs/dbraw/zinc/38/87/77/388388777.db2.gz FHQQZNXKGHEHHO-OCCSQVGLSA-N 1 3 245.326 1.083 20 0 BDADHO NCc1cccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000646578791 388389066 /nfs/dbraw/zinc/38/90/66/388389066.db2.gz FHQQZNXKGHEHHO-GXTWGEPZSA-N 1 3 245.326 1.083 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCCCO1 ZINC000300864647 388399795 /nfs/dbraw/zinc/39/97/95/388399795.db2.gz PTWFLDSUKLTPNM-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000300864647 388399797 /nfs/dbraw/zinc/39/97/97/388399797.db2.gz PTWFLDSUKLTPNM-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CCCCO1 ZINC000300864652 388399821 /nfs/dbraw/zinc/39/98/21/388399821.db2.gz PTWFLDSUKLTPNM-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000300864652 388399822 /nfs/dbraw/zinc/39/98/22/388399822.db2.gz PTWFLDSUKLTPNM-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)(N)C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000572985606 388402334 /nfs/dbraw/zinc/40/23/34/388402334.db2.gz IPIFXUJLPMEOJL-LBPRGKRZSA-N 1 3 219.332 1.583 20 0 BDADHO O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825889 388403030 /nfs/dbraw/zinc/40/30/30/388403030.db2.gz ZKZYZLBHTXXBIZ-MELADBBJSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000315825889 388403033 /nfs/dbraw/zinc/40/30/33/388403033.db2.gz ZKZYZLBHTXXBIZ-MELADBBJSA-N 1 3 238.375 1.364 20 0 BDADHO Cc1cccnc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000404876743 388439896 /nfs/dbraw/zinc/43/98/96/388439896.db2.gz PGMNULPFWGXHTK-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccnc1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000404876743 388439897 /nfs/dbraw/zinc/43/98/97/388439897.db2.gz PGMNULPFWGXHTK-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO C([NH2+][C@@H]1CCNC1)[C@@H]1CC2CCC1CC2 ZINC000335074135 388448632 /nfs/dbraw/zinc/44/86/32/388448632.db2.gz BOAYVGMIQAGAAB-IFWUJCSASA-N 1 3 208.349 1.764 20 0 BDADHO CC[C@H]([NH2+]CCOCCN(C)C)C1CCC1 ZINC000322862471 388449446 /nfs/dbraw/zinc/44/94/46/388449446.db2.gz UMCSJJYGOIDFQE-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO C[N@H+](C[C@H](O)CN1CCC(C)(C)C1)C1CC1 ZINC000336659587 388460307 /nfs/dbraw/zinc/46/03/07/388460307.db2.gz NGRFVYFJAGBNAX-LBPRGKRZSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+](C[C@H](O)CN1CCC(C)(C)C1)C1CC1 ZINC000336659587 388460309 /nfs/dbraw/zinc/46/03/09/388460309.db2.gz NGRFVYFJAGBNAX-LBPRGKRZSA-N 1 3 226.364 1.173 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169813690 388467045 /nfs/dbraw/zinc/46/70/45/388467045.db2.gz TYPBDHOHHKHFLP-LLVKDONJSA-N 1 3 221.304 1.067 20 0 BDADHO C[C@H](CC[NH2+][C@H](C)[C@H](C)O)N1CCCCC1 ZINC000516564375 388478412 /nfs/dbraw/zinc/47/84/12/388478412.db2.gz BVNZABOQVPBDRG-UPJWGTAASA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](CCN[C@H](C)[C@H](C)O)[NH+]1CCCCC1 ZINC000516564375 388478416 /nfs/dbraw/zinc/47/84/16/388478416.db2.gz BVNZABOQVPBDRG-UPJWGTAASA-N 1 3 228.380 1.610 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573058836 388414686 /nfs/dbraw/zinc/41/46/86/388414686.db2.gz FIERLNXUEIDLDO-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO COCC(C)(C)C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000261539886 135178551 /nfs/dbraw/zinc/17/85/51/135178551.db2.gz DHHZSGUYUQEVDQ-MNOVXSKESA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000261539886 135178553 /nfs/dbraw/zinc/17/85/53/135178553.db2.gz DHHZSGUYUQEVDQ-MNOVXSKESA-N 1 3 214.353 1.328 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213038 388432792 /nfs/dbraw/zinc/43/27/92/388432792.db2.gz TVNYUCQZQVWYAC-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000573213038 388432794 /nfs/dbraw/zinc/43/27/94/388432794.db2.gz TVNYUCQZQVWYAC-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](CC(C)C)C1 ZINC000573213038 388432795 /nfs/dbraw/zinc/43/27/95/388432795.db2.gz TVNYUCQZQVWYAC-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H](O)CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921680 388541459 /nfs/dbraw/zinc/54/14/59/388541459.db2.gz KCPMUAHSLYFXKH-ICIURTGMSA-N 1 3 240.391 1.704 20 0 BDADHO C[C@H](O)CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921680 388541462 /nfs/dbraw/zinc/54/14/62/388541462.db2.gz KCPMUAHSLYFXKH-ICIURTGMSA-N 1 3 240.391 1.704 20 0 BDADHO c1n[nH]cc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353625288 388542444 /nfs/dbraw/zinc/54/24/44/388542444.db2.gz FXUDARNSPPVKCO-CHWSQXEVSA-N 1 3 234.347 1.169 20 0 BDADHO c1n[nH]cc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000353625288 388542446 /nfs/dbraw/zinc/54/24/46/388542446.db2.gz FXUDARNSPPVKCO-CHWSQXEVSA-N 1 3 234.347 1.169 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CC[C@@H]1CCOC1 ZINC000339409392 388482727 /nfs/dbraw/zinc/48/27/27/388482727.db2.gz LZIWAJMCJBPEEM-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)OC ZINC000356335494 388548890 /nfs/dbraw/zinc/54/88/90/388548890.db2.gz NGVXLPHPZQUMFS-UTUOFQBUSA-N 1 3 214.353 1.519 20 0 BDADHO CCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)COC1 ZINC000343634798 388502022 /nfs/dbraw/zinc/50/20/22/388502022.db2.gz VEGNQODASSVAHV-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)COC1 ZINC000343634798 388502025 /nfs/dbraw/zinc/50/20/25/388502025.db2.gz VEGNQODASSVAHV-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CC[C@H](CNC[C@H]2CCC[NH2+]C2)O1 ZINC000398025383 388514937 /nfs/dbraw/zinc/51/49/37/388514937.db2.gz AEOOEKWGGWYMHC-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+]C[C@H]2CCCNC2)O1 ZINC000398025383 388514939 /nfs/dbraw/zinc/51/49/39/388514939.db2.gz AEOOEKWGGWYMHC-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CSC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000516921786 388525065 /nfs/dbraw/zinc/52/50/65/388525065.db2.gz MMERRXQJUOJTIP-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000516921786 388525068 /nfs/dbraw/zinc/52/50/68/388525068.db2.gz MMERRXQJUOJTIP-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO CC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238511 388602487 /nfs/dbraw/zinc/60/24/87/388602487.db2.gz HFDQNMAJQJCJLB-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238511 388602488 /nfs/dbraw/zinc/60/24/88/388602488.db2.gz HFDQNMAJQJCJLB-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000220681986 388605628 /nfs/dbraw/zinc/60/56/28/388605628.db2.gz LKFFZVZPRBUNGK-ZYHUDNBSSA-N 1 3 228.405 1.989 20 0 BDADHO CC[C@H](O)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358173427 388554729 /nfs/dbraw/zinc/55/47/29/388554729.db2.gz UZRALGLTAWINLP-IHRRRGAJSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@H](O)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358173427 388554732 /nfs/dbraw/zinc/55/47/32/388554732.db2.gz UZRALGLTAWINLP-IHRRRGAJSA-N 1 3 240.391 1.754 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000191823438 388670086 /nfs/dbraw/zinc/67/00/86/388670086.db2.gz FWENTQYXOJLASG-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000191823438 388670087 /nfs/dbraw/zinc/67/00/87/388670087.db2.gz FWENTQYXOJLASG-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCOC1 ZINC000530209518 388627687 /nfs/dbraw/zinc/62/76/87/388627687.db2.gz IKLMGCJMQRDXLA-FRRDWIJNSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CC=CC1 ZINC000530214165 388629294 /nfs/dbraw/zinc/62/92/94/388629294.db2.gz BRFLHMQVDRHVAF-DGCLKSJQSA-N 1 3 208.349 1.930 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2cn(C)nc2c1 ZINC000530219014 388631381 /nfs/dbraw/zinc/63/13/81/388631381.db2.gz OOKKEVLGDAJSLE-QWRGUYRKSA-N 1 3 246.358 1.789 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCOC1 ZINC000530223522 388633766 /nfs/dbraw/zinc/63/37/66/388633766.db2.gz SQUOGZFMKWBKKA-SDDRHHMPSA-N 1 3 224.348 1.286 20 0 BDADHO COc1ccc(CCNC[C@@]2(C)CC[NH2+]C2)cn1 ZINC000530243309 388637941 /nfs/dbraw/zinc/63/79/41/388637941.db2.gz HGSXYOYPLAZNTK-CQSZACIVSA-N 1 3 249.358 1.222 20 0 BDADHO C[C@H](CNC[C@@]1(C)CC[NH2+]C1)c1ccncc1 ZINC000530244954 388638746 /nfs/dbraw/zinc/63/87/46/388638746.db2.gz RIBCLUOAOBDKBV-OCCSQVGLSA-N 1 3 233.359 1.774 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@H](C)COC)C1 ZINC000248587530 388685634 /nfs/dbraw/zinc/68/56/34/388685634.db2.gz WYHFLRGKIWMARJ-NWDGAFQWSA-N 1 3 214.353 1.200 20 0 BDADHO COC[C@@H](C)[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000247084270 388658615 /nfs/dbraw/zinc/65/86/15/388658615.db2.gz PBUDYIKSXBVXIW-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO C[NH+](C)C[C@@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000247213720 388661017 /nfs/dbraw/zinc/66/10/17/388661017.db2.gz MAVGQAZEPRSWMW-QWHCGFSZSA-N 1 3 208.349 1.979 20 0 BDADHO CCN(CC)CCC[NH2+]CC1=CCCOC1 ZINC000124613896 388664207 /nfs/dbraw/zinc/66/42/07/388664207.db2.gz SJTAEIVOPITVCZ-UHFFFAOYSA-N 1 3 226.364 1.655 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000251254625 388746654 /nfs/dbraw/zinc/74/66/54/388746654.db2.gz VAHAWEQVYJWPDO-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251254625 388746656 /nfs/dbraw/zinc/74/66/56/388746656.db2.gz VAHAWEQVYJWPDO-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO COCC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251254625 388746657 /nfs/dbraw/zinc/74/66/57/388746657.db2.gz VAHAWEQVYJWPDO-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2cccnc2)C1 ZINC000086403250 388687249 /nfs/dbraw/zinc/68/72/49/388687249.db2.gz JUEFAQSFQTXMDC-QWHCGFSZSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000086403250 388687253 /nfs/dbraw/zinc/68/72/53/388687253.db2.gz JUEFAQSFQTXMDC-QWHCGFSZSA-N 1 3 219.332 1.484 20 0 BDADHO C[C@H](C[NH3+])CNC(=O)c1ccc(CN(C)C)cc1 ZINC000646872304 388719829 /nfs/dbraw/zinc/71/98/29/388719829.db2.gz OZYXLQUTSUYNRF-LLVKDONJSA-N 1 3 249.358 1.073 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCc1nccs1 ZINC000127902865 388732677 /nfs/dbraw/zinc/73/26/77/388732677.db2.gz SFHXAKUBPBUYRE-QWRGUYRKSA-N 1 3 239.388 1.615 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCc1nccs1 ZINC000127902865 388732679 /nfs/dbraw/zinc/73/26/79/388732679.db2.gz SFHXAKUBPBUYRE-QWRGUYRKSA-N 1 3 239.388 1.615 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2CCN(C)C2)CC1 ZINC000228757929 388823056 /nfs/dbraw/zinc/82/30/56/388823056.db2.gz WQUJYQLDJUORIL-AWEZNQCLSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)CN1CCC([NH2+][C@H]2CCN(C)C2)CC1 ZINC000228757929 388823059 /nfs/dbraw/zinc/82/30/59/388823059.db2.gz WQUJYQLDJUORIL-AWEZNQCLSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CCN1C ZINC000129810500 388871811 /nfs/dbraw/zinc/87/18/11/388871811.db2.gz JJAIQDMKPHJXOE-UONOGXRCSA-N 1 3 239.407 1.545 20 0 BDADHO CN(C)Cc1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000564565311 388879094 /nfs/dbraw/zinc/87/90/94/388879094.db2.gz VRXBVLMBJVBNMM-UHFFFAOYSA-N 1 3 248.370 1.753 20 0 BDADHO CC(C)C[N@@H+]1CC[C@H](CNCC2(O)CCC2)C1 ZINC000566112325 388987893 /nfs/dbraw/zinc/98/78/93/388987893.db2.gz MTZLWPDQXVOVFK-CYBMUJFWSA-N 1 3 240.391 1.469 20 0 BDADHO CC(C)C[N@H+]1CC[C@H](CNCC2(O)CCC2)C1 ZINC000566112325 388987896 /nfs/dbraw/zinc/98/78/96/388987896.db2.gz MTZLWPDQXVOVFK-CYBMUJFWSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+]1CC=C(CNCc2cccc(O)c2)CC1 ZINC000271801563 389025034 /nfs/dbraw/zinc/02/50/34/389025034.db2.gz IXMOFGHMTYFMQU-UHFFFAOYSA-N 1 3 232.327 1.744 20 0 BDADHO C[N@H+]1CC=C(CNCc2cccc(O)c2)CC1 ZINC000271801563 389025029 /nfs/dbraw/zinc/02/50/29/389025029.db2.gz IXMOFGHMTYFMQU-UHFFFAOYSA-N 1 3 232.327 1.744 20 0 BDADHO CC(C)N1CCC([NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000335951366 134021814 /nfs/dbraw/zinc/02/18/14/134021814.db2.gz SFBMIWNZMOVQEQ-OCCSQVGLSA-N 1 3 239.407 1.399 20 0 BDADHO C(C1CCN([C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000336180257 134119393 /nfs/dbraw/zinc/11/93/93/134119393.db2.gz YZUMCBFXIFMAOI-CQSZACIVSA-N 1 3 238.375 1.583 20 0 BDADHO COC[C@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000173533854 134275296 /nfs/dbraw/zinc/27/52/96/134275296.db2.gz XRVDOGSUVZEDAT-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1nc(CC[NH2+]C[C@H](N)CC(C)C)cs1 ZINC000226468205 134363438 /nfs/dbraw/zinc/36/34/38/134363438.db2.gz SNDNHZAVPJCWCP-LLVKDONJSA-N 1 3 241.404 1.957 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000227921480 134399297 /nfs/dbraw/zinc/39/92/97/134399297.db2.gz PCRZBOLIOBUEMB-NWDGAFQWSA-N 1 3 228.380 1.502 20 0 BDADHO CCCCOCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000229341075 135011480 /nfs/dbraw/zinc/01/14/80/135011480.db2.gz JUDBVFMRIZMLKY-OLZOCXBDSA-N 1 3 228.380 1.910 20 0 BDADHO COC[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251127697 135064324 /nfs/dbraw/zinc/06/43/24/135064324.db2.gz SROXFHWZBBOLIB-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251127697 135064325 /nfs/dbraw/zinc/06/43/25/135064325.db2.gz SROXFHWZBBOLIB-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251127697 135064326 /nfs/dbraw/zinc/06/43/26/135064326.db2.gz SROXFHWZBBOLIB-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251494966 135069999 /nfs/dbraw/zinc/06/99/99/135069999.db2.gz JRWQOLWWUOKJTH-MCIONIFRSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251494966 135070001 /nfs/dbraw/zinc/07/00/01/135070001.db2.gz JRWQOLWWUOKJTH-MCIONIFRSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@H]1CCCO1 ZINC000251718735 135075564 /nfs/dbraw/zinc/07/55/64/135075564.db2.gz BXRHWIHVIRVCFW-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@H]1CCCO1 ZINC000251718735 135075565 /nfs/dbraw/zinc/07/55/65/135075565.db2.gz BXRHWIHVIRVCFW-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H](C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)C ZINC000252458296 135090013 /nfs/dbraw/zinc/09/00/13/135090013.db2.gz XMVYJXFRDBCHPA-NDBYEHHHSA-N 1 3 227.396 1.255 20 0 BDADHO C[C@@H]1SCCN(C[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000252690017 135096599 /nfs/dbraw/zinc/09/65/99/135096599.db2.gz SXSJKYREIGUMPP-SRVKXCTJSA-N 1 3 228.405 1.812 20 0 BDADHO CCOCCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000252698144 135098006 /nfs/dbraw/zinc/09/80/06/135098006.db2.gz LHTWJDQJAFYMFG-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO CCOCCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000252698144 135098008 /nfs/dbraw/zinc/09/80/08/135098008.db2.gz LHTWJDQJAFYMFG-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)CCOCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252769802 135108953 /nfs/dbraw/zinc/10/89/53/135108953.db2.gz KRSCNJXARALWMJ-QWHCGFSZSA-N 1 3 228.380 1.718 20 0 BDADHO Cc1ccncc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252842104 135112856 /nfs/dbraw/zinc/11/28/56/135112856.db2.gz CKRMYMMEBZFVAF-AEGPPILISA-N 1 3 245.370 1.949 20 0 BDADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000261963590 135113523 /nfs/dbraw/zinc/11/35/23/135113523.db2.gz ADYFISGTHTZKST-YNEHKIRRSA-N 1 3 226.364 1.676 20 0 BDADHO CC(C)CCOCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253250406 135125610 /nfs/dbraw/zinc/12/56/10/135125610.db2.gz VWJQNUIRWKETFM-ZIAGYGMSSA-N 1 3 242.407 1.966 20 0 BDADHO Cc1cc(CN2CCC3(CC[NH2+]C3)CC2)on1 ZINC000257690721 135139180 /nfs/dbraw/zinc/13/91/80/135139180.db2.gz NMNPGKJRSZKZEI-UHFFFAOYSA-N 1 3 235.331 1.559 20 0 BDADHO C(C1CCOCC1)[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257707135 135140283 /nfs/dbraw/zinc/14/02/83/135140283.db2.gz RNTXQRSDGFZWQC-AWEZNQCLSA-N 1 3 238.375 1.489 20 0 BDADHO C(C1CCOCC1)[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000257707135 135140284 /nfs/dbraw/zinc/14/02/84/135140284.db2.gz RNTXQRSDGFZWQC-AWEZNQCLSA-N 1 3 238.375 1.489 20 0 BDADHO C[NH2+]C[C@H]1CCN(CC(C)(C)COC)C1 ZINC000261529699 135156869 /nfs/dbraw/zinc/15/68/69/135156869.db2.gz BKPGRDBQAXAXDF-LLVKDONJSA-N 1 3 214.353 1.200 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000261530376 135157784 /nfs/dbraw/zinc/15/77/84/135157784.db2.gz ZDILWBHXJZHVMM-GUBZILKMSA-N 1 3 200.351 1.209 20 0 BDADHO c1ccc(CCNC[C@H]2CCC[NH2+]C2)nc1 ZINC000087646008 135160776 /nfs/dbraw/zinc/16/07/76/135160776.db2.gz GFQNMILFVRHMBQ-LBPRGKRZSA-N 1 3 219.332 1.213 20 0 BDADHO CC[C@@H](COC)NC[C@H]1CCC[NH2+]C1 ZINC000087647340 135161207 /nfs/dbraw/zinc/16/12/07/135161207.db2.gz OJJMUJLZDZGFOM-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@H]1CCCNC1 ZINC000087647340 135161209 /nfs/dbraw/zinc/16/12/09/135161209.db2.gz OJJMUJLZDZGFOM-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@]1(C[NH2+]C2CCNCC2)CCCS1 ZINC000087792800 135171750 /nfs/dbraw/zinc/17/17/50/135171750.db2.gz CHPGVPPCQFIZQH-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO C[C@]1(CNC2CC[NH2+]CC2)CCCS1 ZINC000087792800 135171751 /nfs/dbraw/zinc/17/17/51/135171751.db2.gz CHPGVPPCQFIZQH-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO Cc1nc(C)c(CN2CCC(C[NH3+])CC2)s1 ZINC000084149021 135187166 /nfs/dbraw/zinc/18/71/66/135187166.db2.gz LEJRQGPONXNJCG-UHFFFAOYSA-N 1 3 239.388 1.931 20 0 BDADHO Cc1cnn(CCN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000261549021 135187195 /nfs/dbraw/zinc/18/71/95/135187195.db2.gz KDHIASSEWPTDNB-QWHCGFSZSA-N 1 3 236.363 1.251 20 0 BDADHO CC1(CN2CCN([C@@H]3CC[NH2+]C3)CC2)CCC1 ZINC000261549291 135188387 /nfs/dbraw/zinc/18/83/87/135188387.db2.gz KIJAOWDMEGDXSE-CYBMUJFWSA-N 1 3 237.391 1.156 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccco1 ZINC000084218827 135192458 /nfs/dbraw/zinc/19/24/58/135192458.db2.gz PDHQOXXLVPORHH-PWSUYJOCSA-N 1 3 208.305 1.539 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000084218827 135192459 /nfs/dbraw/zinc/19/24/59/135192459.db2.gz PDHQOXXLVPORHH-PWSUYJOCSA-N 1 3 208.305 1.539 20 0 BDADHO Cc1ncccc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000261553557 135192550 /nfs/dbraw/zinc/19/25/50/135192550.db2.gz OAFSIQZTEAWWCZ-LLVKDONJSA-N 1 3 233.359 1.949 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)C1CC1 ZINC000261554408 135193495 /nfs/dbraw/zinc/19/34/95/135193495.db2.gz AXRJIFZGXVVSPN-KFWWJZLASA-N 1 3 246.354 1.882 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1C[C@H](N)c2ccccc21)C1CC1 ZINC000261554409 135193654 /nfs/dbraw/zinc/19/36/54/135193654.db2.gz AXRJIFZGXVVSPN-KKUMJFAQSA-N 1 3 246.354 1.882 20 0 BDADHO C[C@H]1CCSCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261557880 135198832 /nfs/dbraw/zinc/19/88/32/135198832.db2.gz XTXLFYRUZHDCGQ-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CCSCC[N@H+]1C[C@H]1CCCNC1 ZINC000261557880 135198834 /nfs/dbraw/zinc/19/88/34/135198834.db2.gz XTXLFYRUZHDCGQ-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@H]1CCSCCN1C[C@H]1CCC[NH2+]C1 ZINC000261557880 135198835 /nfs/dbraw/zinc/19/88/35/135198835.db2.gz XTXLFYRUZHDCGQ-RYUDHWBXSA-N 1 3 228.405 1.813 20 0 BDADHO CC(C)(C)CCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261561070 135201951 /nfs/dbraw/zinc/20/19/51/135201951.db2.gz UZWIDYZKDSDCHU-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO Cc1nc(C)c(CN[C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000261566973 135208620 /nfs/dbraw/zinc/20/86/20/135208620.db2.gz DTETUVSVRXVWPQ-GHMZBOCLSA-N 1 3 239.388 1.977 20 0 BDADHO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000261570673 135212197 /nfs/dbraw/zinc/21/21/97/135212197.db2.gz HAUUSMWCTIKERS-WDEREUQCSA-N 1 3 222.332 1.911 20 0 BDADHO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000261570670 135212215 /nfs/dbraw/zinc/21/22/15/135212215.db2.gz HAUUSMWCTIKERS-GHMZBOCLSA-N 1 3 222.332 1.911 20 0 BDADHO Cc1cnn(CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261578735 135219967 /nfs/dbraw/zinc/21/99/67/135219967.db2.gz PAHLNELNJYDJQR-MELADBBJSA-N 1 3 248.374 1.251 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000261592387 135232780 /nfs/dbraw/zinc/23/27/80/135232780.db2.gz VUEVQLUBOVSQCW-XQHKEYJVSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCOCC1CC1 ZINC000261595423 135234883 /nfs/dbraw/zinc/23/48/83/135234883.db2.gz YCIYMDXTJMQHDA-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000261596818 135235593 /nfs/dbraw/zinc/23/55/93/135235593.db2.gz YXXWHIGHEYKVOE-CYDGBPFRSA-N 1 3 226.364 1.255 20 0 BDADHO NC[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261595781 135236080 /nfs/dbraw/zinc/23/60/80/135236080.db2.gz YLVXPRZFJUJMTH-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261595781 135236082 /nfs/dbraw/zinc/23/60/82/135236082.db2.gz YLVXPRZFJUJMTH-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CC[C@H]2CCOC2)C1 ZINC000261595781 135236083 /nfs/dbraw/zinc/23/60/83/135236083.db2.gz YLVXPRZFJUJMTH-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@@H]1CCOC1 ZINC000261598024 135237233 /nfs/dbraw/zinc/23/72/33/135237233.db2.gz ZIQAQOVCWOCWCQ-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@@H]1CCOC1 ZINC000261598024 135237234 /nfs/dbraw/zinc/23/72/34/135237234.db2.gz ZIQAQOVCWOCWCQ-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc(N)c2)C1 ZINC000261710728 135247580 /nfs/dbraw/zinc/24/75/80/135247580.db2.gz PMMUIMISVRYBDY-WCQYABFASA-N 1 3 233.359 1.828 20 0 BDADHO C[C@]1(CN2CCC(n3ccnc3)CC2)CC[NH2+]C1 ZINC000261724172 135248482 /nfs/dbraw/zinc/24/84/82/135248482.db2.gz GJZRPUOEJDHYEC-AWEZNQCLSA-N 1 3 248.374 1.520 20 0 BDADHO C[C@@H]1[C@@H](C)N(C[C@H]2CCC[NH2+]C2)CCN1C ZINC000261928567 135263344 /nfs/dbraw/zinc/26/33/44/135263344.db2.gz LGZTUIATVLDGDA-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO C[N@H+](CC[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261970201 135268112 /nfs/dbraw/zinc/26/81/12/135268112.db2.gz QGHKHBFPSHSYNK-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261970201 135268114 /nfs/dbraw/zinc/26/81/14/135268114.db2.gz QGHKHBFPSHSYNK-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CN(C[C@@H]1CCC[C@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262061768 135276901 /nfs/dbraw/zinc/27/69/01/135276901.db2.gz RFBOFONWQBVPSK-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOCC(F)F)C[C@@H]21 ZINC000262116244 135279807 /nfs/dbraw/zinc/27/98/07/135279807.db2.gz LHPZRZHIOOWVGK-GARJFASQSA-N 1 3 248.317 1.327 20 0 BDADHO C[C@]1(CN2CCN(C3CCC3)CC2)CC[NH2+]C1 ZINC000262245581 135287012 /nfs/dbraw/zinc/28/70/12/135287012.db2.gz POYYEEIWLTTZME-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO CC[C@H](C(=O)NCC1([NH3+])CCC1)N(CC)CC ZINC000342584577 135292595 /nfs/dbraw/zinc/29/25/95/135292595.db2.gz JOWIFLYZGOVSEE-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000262617725 135308683 /nfs/dbraw/zinc/30/86/83/135308683.db2.gz ZMMVEMSHDVWMIW-SDDRHHMPSA-N 1 3 243.395 1.192 20 0 BDADHO Cn1cccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000334283651 135338939 /nfs/dbraw/zinc/33/89/39/135338939.db2.gz ZITVQUIGZJSEEV-HNNXBMFYSA-N 1 3 247.386 1.943 20 0 BDADHO Cn1cccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000334283651 135338940 /nfs/dbraw/zinc/33/89/40/135338940.db2.gz ZITVQUIGZJSEEV-HNNXBMFYSA-N 1 3 247.386 1.943 20 0 BDADHO C[C@@H]1CCCCN1CCC[NH2+]CC1(C)COC1 ZINC000079472569 135397252 /nfs/dbraw/zinc/39/72/52/135397252.db2.gz ZOQFQFGHHSPXES-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CCCC[N@@H+]1CCCNCC1(C)COC1 ZINC000079472569 135397254 /nfs/dbraw/zinc/39/72/54/135397254.db2.gz ZOQFQFGHHSPXES-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CCCC[N@H+]1CCCNCC1(C)COC1 ZINC000079472569 135397256 /nfs/dbraw/zinc/39/72/56/135397256.db2.gz ZOQFQFGHHSPXES-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CN1CCC(O)(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000344546899 135462758 /nfs/dbraw/zinc/46/27/58/135462758.db2.gz IAFFXXOSMZFQHX-ZDUSSCGKSA-N 1 3 238.375 1.389 20 0 BDADHO COc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089140513 135530996 /nfs/dbraw/zinc/53/09/96/135530996.db2.gz DBUPZUMLDANGEA-CHWSQXEVSA-N 1 3 249.358 1.697 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000348156669 136040907 /nfs/dbraw/zinc/04/09/07/136040907.db2.gz ITHHUOWOUMUFOI-UVOCVTCTSA-N 1 3 232.318 1.958 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000348156669 136040908 /nfs/dbraw/zinc/04/09/08/136040908.db2.gz ITHHUOWOUMUFOI-UVOCVTCTSA-N 1 3 232.318 1.958 20 0 BDADHO NC[C@H]1C[N@H+](CC2CCC2)CC12CCOCC2 ZINC000335394924 136092358 /nfs/dbraw/zinc/09/23/58/136092358.db2.gz HEBFPDXLJHISDM-ZDUSSCGKSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@H]1C[N@@H+](CC2CCC2)CC12CCOCC2 ZINC000335394924 136092359 /nfs/dbraw/zinc/09/23/59/136092359.db2.gz HEBFPDXLJHISDM-ZDUSSCGKSA-N 1 3 238.375 1.474 20 0 BDADHO C([C@H]1CCC[NH2+]C1)N1CCCSCC1 ZINC000042444852 398015883 /nfs/dbraw/zinc/01/58/83/398015883.db2.gz HQDBBMASHLGAQK-NSHDSACASA-N 1 3 214.378 1.425 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CCCSCC1 ZINC000042444852 398015886 /nfs/dbraw/zinc/01/58/86/398015886.db2.gz HQDBBMASHLGAQK-NSHDSACASA-N 1 3 214.378 1.425 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CCCSCC1 ZINC000042444852 398015890 /nfs/dbraw/zinc/01/58/90/398015890.db2.gz HQDBBMASHLGAQK-NSHDSACASA-N 1 3 214.378 1.425 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCOC1 ZINC000389124857 398029243 /nfs/dbraw/zinc/02/92/43/398029243.db2.gz VTJGTMNIZPWISV-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO CCOC[C@H](C)N[C@H](C[NH3+])CC(C)C ZINC000414831553 398050946 /nfs/dbraw/zinc/05/09/46/398050946.db2.gz CLULFWRCDSJLAF-QWRGUYRKSA-N 1 3 202.342 1.374 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906143 398118985 /nfs/dbraw/zinc/11/89/85/398118985.db2.gz BAVRBHCOWLQPJT-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906143 398118988 /nfs/dbraw/zinc/11/89/88/398118988.db2.gz BAVRBHCOWLQPJT-MELADBBJSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[C@@H]1CCOC1)NC[C@H]1CCCC[NH2+]1 ZINC000232451508 487595264 /nfs/dbraw/zinc/59/52/64/487595264.db2.gz QCCAOSSPEKGOQX-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255357 409551469 /nfs/dbraw/zinc/55/14/69/409551469.db2.gz OSMFCFXVUMGXMX-XQQFMLRXSA-N 1 3 236.359 1.239 20 0 BDADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255357 409551477 /nfs/dbraw/zinc/55/14/77/409551477.db2.gz OSMFCFXVUMGXMX-XQQFMLRXSA-N 1 3 236.359 1.239 20 0 BDADHO O[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662286589 409618761 /nfs/dbraw/zinc/61/87/61/409618761.db2.gz QYNSVWJFDZBISH-AWEZNQCLSA-N 1 3 246.354 1.289 20 0 BDADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662284601 409615191 /nfs/dbraw/zinc/61/51/91/409615191.db2.gz ZFCQVIGAKACTFY-UPJWGTAASA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662818848 409933403 /nfs/dbraw/zinc/93/34/03/409933403.db2.gz BFGOTCWGSAASSF-VHSXEESVSA-N 1 3 247.342 1.145 20 0 BDADHO [NH3+]C[C@H]1CCN(Cc2cccc3c2CCC3)C1 ZINC000650702736 410333533 /nfs/dbraw/zinc/33/35/33/410333533.db2.gz RUJPWXDCTJKOAE-GFCCVEGCSA-N 1 3 230.355 1.956 20 0 BDADHO CCc1cnc(CNCCC2(C[NH3+])CC2)s1 ZINC000650712971 410344809 /nfs/dbraw/zinc/34/48/09/410344809.db2.gz ALLSFYKYBXWHRB-UHFFFAOYSA-N 1 3 239.388 1.924 20 0 BDADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)CN2 ZINC000650715251 410348178 /nfs/dbraw/zinc/34/81/78/410348178.db2.gz VZMXVQDCBXVAKO-CYBMUJFWSA-N 1 3 231.343 1.365 20 0 BDADHO C[C@@H](CO)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000650715198 410350380 /nfs/dbraw/zinc/35/03/80/410350380.db2.gz UBJAKLMEFMSWBX-QWHCGFSZSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H](CO)C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000650715198 410350385 /nfs/dbraw/zinc/35/03/85/410350385.db2.gz UBJAKLMEFMSWBX-QWHCGFSZSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CNC[C@@H]([NH2+][C@H]2CNc3ccccc3C2)C1 ZINC000650715311 410351603 /nfs/dbraw/zinc/35/16/03/410351603.db2.gz XXORCFSNTIXIBP-FPMFFAJLSA-N 1 3 245.370 1.611 20 0 BDADHO Cc1nccnc1[C@H](C)NCCC1(C[NH3+])CC1 ZINC000650747275 410388858 /nfs/dbraw/zinc/38/88/58/410388858.db2.gz WNDTXMLIWSZSEZ-JTQLQIEISA-N 1 3 234.347 1.565 20 0 BDADHO C[NH2+]Cc1ccccc1CN[C@@H](C)[C@@H](C)OC ZINC000650758164 410406994 /nfs/dbraw/zinc/40/69/94/410406994.db2.gz KOGGWEKYPGPQLI-NWDGAFQWSA-N 1 3 236.359 1.919 20 0 BDADHO c1cn2c(n1)[C@H](NCCC1CC[NH2+]CC1)CC2 ZINC000650761856 410409064 /nfs/dbraw/zinc/40/90/64/410409064.db2.gz MBVTUPYPUPOEKZ-GFCCVEGCSA-N 1 3 234.347 1.307 20 0 BDADHO C[C@H]1C[C@@H](NCCC2CC[NH2+]CC2)c2nccn21 ZINC000650761834 410409674 /nfs/dbraw/zinc/40/96/74/410409674.db2.gz LNIHSQBSMUKTHS-WCQYABFASA-N 1 3 248.374 1.868 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@](C)(CC)C1 ZINC000309276215 410701826 /nfs/dbraw/zinc/70/18/26/410701826.db2.gz SCNOLNNIWDFORI-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@](C)(CC)C1 ZINC000309276215 410701828 /nfs/dbraw/zinc/70/18/28/410701828.db2.gz SCNOLNNIWDFORI-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)c2ccccc21 ZINC000665234290 410723482 /nfs/dbraw/zinc/72/34/82/410723482.db2.gz AIPCIEXWFRWGPN-QLFBSQMISA-N 1 3 246.354 1.882 20 0 BDADHO CO[C@@H](C)[C@H](C)NCC1([NH3+])CCCC1 ZINC000665249413 410731340 /nfs/dbraw/zinc/73/13/40/410731340.db2.gz PUFAYCXKYCDXRQ-UWVGGRQHSA-N 1 3 200.326 1.271 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000665249413 410731342 /nfs/dbraw/zinc/73/13/42/410731342.db2.gz PUFAYCXKYCDXRQ-UWVGGRQHSA-N 1 3 200.326 1.271 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccoc1 ZINC000665261891 410734803 /nfs/dbraw/zinc/73/48/03/410734803.db2.gz NYSCHLJEXUHEBN-YPMHNXCESA-N 1 3 222.332 1.800 20 0 BDADHO CO[C@@H](C)[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000665280567 410755661 /nfs/dbraw/zinc/75/56/61/410755661.db2.gz GLYINBLMFUCLAD-GARJFASQSA-N 1 3 202.342 1.373 20 0 BDADHO CC[C@@H]([NH2+]CC[C@@H](N)C(C)C)[C@@H]1CCOC1 ZINC000665280819 410756639 /nfs/dbraw/zinc/75/66/39/410756639.db2.gz MJCFIGWPKDYYPJ-JHJVBQTASA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H](C1CC1)N(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000393735460 410757911 /nfs/dbraw/zinc/75/79/11/410757911.db2.gz BFOYMYFJJKCXTQ-QWRGUYRKSA-N 1 3 208.349 1.859 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H]1CCC[C@@H]1CCOC ZINC000665297724 410817509 /nfs/dbraw/zinc/81/75/09/410817509.db2.gz KHYIQMVBUMPQGU-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO CCC(C)(C)N1CCN(C(=O)CCC[NH3+])CC1 ZINC000655495091 410891196 /nfs/dbraw/zinc/89/11/96/410891196.db2.gz SPJXZMWMEJTOII-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO CC(C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000120646805 167121980 /nfs/dbraw/zinc/12/19/80/167121980.db2.gz CWTQSPRSZMXSTP-OAHLLOKOSA-N 1 3 248.370 1.751 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H](CO)CCF)[C@@H](C)C1 ZINC000652019085 410999489 /nfs/dbraw/zinc/99/94/89/410999489.db2.gz JIYCNMMVPJLCQP-TUAOUCFPSA-N 1 3 232.343 1.027 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H](CO)CCF)[C@@H](C)C1 ZINC000652019085 410999492 /nfs/dbraw/zinc/99/94/92/410999492.db2.gz JIYCNMMVPJLCQP-TUAOUCFPSA-N 1 3 232.343 1.027 20 0 BDADHO CCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000300055752 411079357 /nfs/dbraw/zinc/07/93/57/411079357.db2.gz JHGIPCPNOWNJRB-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](C[C@H]1CCCNC1)[C@H]1CCCOC1 ZINC000300055752 411079362 /nfs/dbraw/zinc/07/93/62/411079362.db2.gz JHGIPCPNOWNJRB-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@H]1CCCNC1)[C@H]1CCCOC1 ZINC000300055752 411079364 /nfs/dbraw/zinc/07/93/64/411079364.db2.gz JHGIPCPNOWNJRB-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1COCC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000301019652 411129555 /nfs/dbraw/zinc/12/95/55/411129555.db2.gz NHIMHXJAXVEVAK-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO CC(C)CN(C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000651865628 411148203 /nfs/dbraw/zinc/14/82/03/411148203.db2.gz BDBKUNSCQVWTCB-CQSZACIVSA-N 1 3 242.407 1.981 20 0 BDADHO Cc1noc(C)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401045937 411174102 /nfs/dbraw/zinc/17/41/02/411174102.db2.gz VUEMTXUTDOZVOU-RWMBFGLXSA-N 1 3 249.358 1.769 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCOCCN(C)C)CS1 ZINC000655757572 411188990 /nfs/dbraw/zinc/18/89/90/411188990.db2.gz JDYQIVASUCLTBL-NEPJUHHUSA-N 1 3 246.420 1.438 20 0 BDADHO COC1([C@H](C)[NH2+]CCOCCN(C)C)CCC1 ZINC000657986920 411190714 /nfs/dbraw/zinc/19/07/14/411190714.db2.gz JQYSHEDAGPFFNB-LBPRGKRZSA-N 1 3 244.379 1.112 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@@H]1CCC[NH2+]C1 ZINC000656193854 411199794 /nfs/dbraw/zinc/19/97/94/411199794.db2.gz VZDFAROOTULMAL-QWHCGFSZSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000656197439 411203154 /nfs/dbraw/zinc/20/31/54/411203154.db2.gz JDIJCPILGFTLIW-YVECIDJPSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](N[C@@H](C)Cc1ccccn1)C1C[NH2+]C1 ZINC000656201068 411206211 /nfs/dbraw/zinc/20/62/11/411206211.db2.gz JHSSBYKNZIFHDQ-WDEREUQCSA-N 1 3 219.332 1.210 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)C1CNC1 ZINC000656201068 411206213 /nfs/dbraw/zinc/20/62/13/411206213.db2.gz JHSSBYKNZIFHDQ-WDEREUQCSA-N 1 3 219.332 1.210 20 0 BDADHO FC1(F)CCC(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000656417011 411245795 /nfs/dbraw/zinc/24/57/95/411245795.db2.gz IVKQUVJJTSICOI-RYUDHWBXSA-N 1 3 244.329 1.963 20 0 BDADHO CCN(CC)CCC[N@H+](C[C@H](C)O)C1CC1 ZINC000653901802 411217576 /nfs/dbraw/zinc/21/75/76/411217576.db2.gz DWWVHQCTORRBQS-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+](C[C@H](C)O)C1CC1 ZINC000653901802 411217578 /nfs/dbraw/zinc/21/75/78/411217578.db2.gz DWWVHQCTORRBQS-LBPRGKRZSA-N 1 3 228.380 1.564 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000310226848 411226303 /nfs/dbraw/zinc/22/63/03/411226303.db2.gz GXBCTAHBSTYIQL-OLZOCXBDSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000310226848 411226305 /nfs/dbraw/zinc/22/63/05/411226305.db2.gz GXBCTAHBSTYIQL-OLZOCXBDSA-N 1 3 242.407 1.808 20 0 BDADHO C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCCNC1 ZINC000049237843 411229684 /nfs/dbraw/zinc/22/96/84/411229684.db2.gz LRPDJNUEOZPPRV-SNVBAGLBSA-N 1 3 208.349 1.764 20 0 BDADHO CS[C@H](C)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422940537 411234754 /nfs/dbraw/zinc/23/47/54/411234754.db2.gz SYYPEWVCCVDVSY-MXWKQRLJSA-N 1 3 216.394 1.988 20 0 BDADHO CCN1CCCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422905642 411235161 /nfs/dbraw/zinc/23/51/61/411235161.db2.gz IMSZIKSIPWEXAY-AAEUAGOBSA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCC[C@@H]1N ZINC000422903574 411235412 /nfs/dbraw/zinc/23/54/12/411235412.db2.gz FRQDHOBUBHHWKU-SRVKXCTJSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]1CCOC1 ZINC000396726906 411240327 /nfs/dbraw/zinc/24/03/27/411240327.db2.gz ZDZBJCQGKAGLHE-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO Cc1ccccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287518 411263470 /nfs/dbraw/zinc/26/34/70/411263470.db2.gz ZPVURFKGZOLNEU-OKILXGFUSA-N 1 3 216.328 1.646 20 0 BDADHO c1c(CNC2CCCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656466214 411278672 /nfs/dbraw/zinc/27/86/72/411278672.db2.gz AFMZIPNVZQLBFM-ZDUSSCGKSA-N 1 3 249.362 1.235 20 0 BDADHO CCO[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000051889760 411285166 /nfs/dbraw/zinc/28/51/66/411285166.db2.gz QMIRMCQQHAWJDK-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784147 411362060 /nfs/dbraw/zinc/36/20/60/411362060.db2.gz YZSQHANTOIHJDR-STQMWFEESA-N 1 3 233.359 1.917 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403877491 411363102 /nfs/dbraw/zinc/36/31/02/411363102.db2.gz SXXCHGRHIGQUGH-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)CO ZINC000662146607 411367764 /nfs/dbraw/zinc/36/77/64/411367764.db2.gz SFGUXDYHAXFLHU-RDBSUJKOSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@]1(C)CO ZINC000662146607 411367769 /nfs/dbraw/zinc/36/77/69/411367769.db2.gz SFGUXDYHAXFLHU-RDBSUJKOSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@]1(C)CO ZINC000662146606 411368051 /nfs/dbraw/zinc/36/80/51/411368051.db2.gz SFGUXDYHAXFLHU-MGPQQGTHSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@]1(C)CO ZINC000662146606 411368054 /nfs/dbraw/zinc/36/80/54/411368054.db2.gz SFGUXDYHAXFLHU-MGPQQGTHSA-N 1 3 240.391 1.421 20 0 BDADHO CC1CCN(C(=[NH2+])NCCCN(C)C)CC1 ZINC000303263592 168169531 /nfs/dbraw/zinc/16/95/31/168169531.db2.gz RDXHCQKTHCUBRY-UHFFFAOYSA-N 1 3 226.368 1.194 20 0 BDADHO CC1CCN(C(=[NH2+])NCCNC(C)(C)C)CC1 ZINC000304292639 168170415 /nfs/dbraw/zinc/17/04/15/168170415.db2.gz JXZFNVUIEFVZRK-UHFFFAOYSA-N 1 3 240.395 1.631 20 0 BDADHO COCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404313864 411390675 /nfs/dbraw/zinc/39/06/75/411390675.db2.gz MYRDUWOPQHKILM-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO COCCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404313864 411390679 /nfs/dbraw/zinc/39/06/79/411390679.db2.gz MYRDUWOPQHKILM-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CCN1CCC([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657292423 411453197 /nfs/dbraw/zinc/45/31/97/411453197.db2.gz KJQOSRBTNXHTMK-UHFFFAOYSA-N 1 3 248.374 1.403 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989537 411521889 /nfs/dbraw/zinc/52/18/89/411521889.db2.gz NJWHIORCZXJDNB-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000659989537 411521892 /nfs/dbraw/zinc/52/18/92/411521892.db2.gz NJWHIORCZXJDNB-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000037893976 170007416 /nfs/dbraw/zinc/00/74/16/170007416.db2.gz QWWPIXUZXRAJMW-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO CCN1CC[C@@H](C[NH2+]Cc2cc[nH]c2)C1 ZINC000085579305 170008219 /nfs/dbraw/zinc/00/82/19/170008219.db2.gz JLVBPNALMYFJQR-LBPRGKRZSA-N 1 3 207.321 1.446 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000037484181 170009914 /nfs/dbraw/zinc/00/99/14/170009914.db2.gz FYNYSHHEZMSPSP-WDEREUQCSA-N 1 3 214.378 1.423 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCOC2(C)C)C1 ZINC000328440705 170016978 /nfs/dbraw/zinc/01/69/78/170016978.db2.gz MJWXFPQWAMTDLR-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CC[C@@H](C)O)C[C@H]1C ZINC000336662607 170018004 /nfs/dbraw/zinc/01/80/04/170018004.db2.gz CMAVVFZOUFKLPV-UPJWGTAASA-N 1 3 228.380 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CC[C@@H](C)O)C[C@H]1C ZINC000336662607 170018005 /nfs/dbraw/zinc/01/80/05/170018005.db2.gz CMAVVFZOUFKLPV-UPJWGTAASA-N 1 3 228.380 1.562 20 0 BDADHO CCN1CC[C@H]([NH2+]Cc2c[nH]nc2C)[C@H](C)C1 ZINC000358168933 170020842 /nfs/dbraw/zinc/02/08/42/170020842.db2.gz OIIOLGDOIKBMCO-MFKMUULPSA-N 1 3 236.363 1.538 20 0 BDADHO CCOCCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000122351369 170375744 /nfs/dbraw/zinc/37/57/44/170375744.db2.gz LHTWJDQJAFYMFG-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO CCOCCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000122351369 170375745 /nfs/dbraw/zinc/37/57/45/170375745.db2.gz LHTWJDQJAFYMFG-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000657843459 411610593 /nfs/dbraw/zinc/61/05/93/411610593.db2.gz ZCRGDJXCLORUNG-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC1(C)COC1)C2 ZINC000660660454 411615179 /nfs/dbraw/zinc/61/51/79/411615179.db2.gz VSHOCMIKNYZZKR-CQSZACIVSA-N 1 3 238.375 1.441 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC1(C)COC1)C2 ZINC000660660454 411615180 /nfs/dbraw/zinc/61/51/80/411615180.db2.gz VSHOCMIKNYZZKR-CQSZACIVSA-N 1 3 238.375 1.441 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CNC1(C2CCC2)CC1 ZINC000660921208 411672507 /nfs/dbraw/zinc/67/25/07/411672507.db2.gz VBUSDWKNSHOXPO-ZDUSSCGKSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CNC1(C2CCC2)CC1 ZINC000660921208 411672509 /nfs/dbraw/zinc/67/25/09/411672509.db2.gz VBUSDWKNSHOXPO-ZDUSSCGKSA-N 1 3 240.391 1.610 20 0 BDADHO C[NH2+]C[C@H](C)NC1CCN(c2ccccn2)CC1 ZINC000663509828 411692836 /nfs/dbraw/zinc/69/28/36/411692836.db2.gz MMTPLFVYSCFFFT-LBPRGKRZSA-N 1 3 248.374 1.248 20 0 BDADHO CNC[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000663509828 411692839 /nfs/dbraw/zinc/69/28/39/411692839.db2.gz MMTPLFVYSCFFFT-LBPRGKRZSA-N 1 3 248.374 1.248 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2COC[C@@]2(C)C1 ZINC000661701982 411847971 /nfs/dbraw/zinc/84/79/71/411847971.db2.gz UFLMNFJFECZFSC-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H]2COC[C@@]2(C)C1 ZINC000661701982 411847974 /nfs/dbraw/zinc/84/79/74/411847974.db2.gz UFLMNFJFECZFSC-BFHYXJOUSA-N 1 3 238.375 1.439 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@H](N)C1)C1CCCC1 ZINC000662235777 412035472 /nfs/dbraw/zinc/03/54/72/412035472.db2.gz SNCYKTGVRYRADU-STQMWFEESA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@H](N)C1)C1CCCC1 ZINC000662235777 412035475 /nfs/dbraw/zinc/03/54/75/412035475.db2.gz SNCYKTGVRYRADU-STQMWFEESA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](CN1CCC[C@@H](C)[C@H]1C[NH3+])C1CCC1 ZINC000662243415 412039758 /nfs/dbraw/zinc/03/97/58/412039758.db2.gz AGVYSEYWXJFPPA-MRVWCRGKSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H](CN(C)CCC[NH3+])C1CCC1 ZINC000662243467 412040086 /nfs/dbraw/zinc/04/00/86/412040086.db2.gz BYBJQOGIJTUZKS-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO CCc1nocc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000662247139 412042651 /nfs/dbraw/zinc/04/26/51/412042651.db2.gz SYHAPRWKEMIOBQ-SNVBAGLBSA-N 1 3 237.347 1.796 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@H](CN)C1)C1CCCC1 ZINC000662247558 412044132 /nfs/dbraw/zinc/04/41/32/412044132.db2.gz XPUFULZXVOHERZ-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@H](CN)C1)C1CCCC1 ZINC000662247558 412044134 /nfs/dbraw/zinc/04/41/34/412044134.db2.gz XPUFULZXVOHERZ-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249937 412046840 /nfs/dbraw/zinc/04/68/40/412046840.db2.gz VSCRIIWQYKSUEZ-UPJWGTAASA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCO[C@H]1CC1(F)F ZINC000662249944 412047595 /nfs/dbraw/zinc/04/75/95/412047595.db2.gz VWUABVZFMKHDGO-VHSXEESVSA-N 1 3 236.306 1.374 20 0 BDADHO CC(C)[C@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252118 412048638 /nfs/dbraw/zinc/04/86/38/412048638.db2.gz MDHUSJSEGYTEJB-RYUDHWBXSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252118 412048643 /nfs/dbraw/zinc/04/86/43/412048643.db2.gz MDHUSJSEGYTEJB-RYUDHWBXSA-N 1 3 226.364 1.484 20 0 BDADHO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256600 412050895 /nfs/dbraw/zinc/05/08/95/412050895.db2.gz WSXCCYYUKDPVSW-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662256600 412050896 /nfs/dbraw/zinc/05/08/96/412050896.db2.gz WSXCCYYUKDPVSW-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO Cc1nc([C@H](C)N2CCC3(CC[NH2+]C3)CC2)n[nH]1 ZINC000662274077 412064735 /nfs/dbraw/zinc/06/47/35/412064735.db2.gz QUXWOGLMNWKUMK-JTQLQIEISA-N 1 3 249.362 1.250 20 0 BDADHO Cc1nocc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662274184 412065210 /nfs/dbraw/zinc/06/52/10/412065210.db2.gz FRIGSJGWLJUDAZ-CQSZACIVSA-N 1 3 249.358 1.947 20 0 BDADHO C[C@@H]1CCCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662279006 412071568 /nfs/dbraw/zinc/07/15/68/412071568.db2.gz DYEJXHZEOFTFDQ-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CCCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662279006 412071570 /nfs/dbraw/zinc/07/15/70/412071570.db2.gz DYEJXHZEOFTFDQ-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCC2(CNC2)O1)c1ccccc1 ZINC000662281012 412073473 /nfs/dbraw/zinc/07/34/73/412073473.db2.gz HGYFVHNUXDSYMF-TZMCWYRMSA-N 1 3 246.354 1.858 20 0 BDADHO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCN)cn1 ZINC000662310256 412093953 /nfs/dbraw/zinc/09/39/53/412093953.db2.gz IYWKMFFZQFWIFI-CHWSQXEVSA-N 1 3 236.363 1.070 20 0 BDADHO CC[NH+](CC)CCCN1CC[C@@H](F)[C@H](N)C1 ZINC000662325062 412102520 /nfs/dbraw/zinc/10/25/20/412102520.db2.gz BLGHOTKEQDHTPX-VXGBXAGGSA-N 1 3 231.359 1.089 20 0 BDADHO C[N@H+](CCCN)C[C@H]1CCc2ccccc21 ZINC000662324388 412103587 /nfs/dbraw/zinc/10/35/87/412103587.db2.gz WWILKFKFBRJNOB-CYBMUJFWSA-N 1 3 218.344 1.997 20 0 BDADHO C[N@@H+](CCCN)C[C@H]1CCc2ccccc21 ZINC000662324388 412103592 /nfs/dbraw/zinc/10/35/92/412103592.db2.gz WWILKFKFBRJNOB-CYBMUJFWSA-N 1 3 218.344 1.997 20 0 BDADHO NCc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000662393478 412142696 /nfs/dbraw/zinc/14/26/96/412142696.db2.gz UDICQLPRSKMHJD-NEPJUHHUSA-N 1 3 233.315 1.211 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H]1C[C@H](C)n2ncnc21 ZINC000665236055 412176892 /nfs/dbraw/zinc/17/68/92/412176892.db2.gz GJHFSNQFJQHFGD-OUAUKWLOSA-N 1 3 237.351 1.391 20 0 BDADHO Cc1ccncc1CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000665238693 412178768 /nfs/dbraw/zinc/17/87/68/412178768.db2.gz ALSLZMABALRQRI-ZFWWWQNUSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000665238693 412178770 /nfs/dbraw/zinc/17/87/70/412178770.db2.gz ALSLZMABALRQRI-ZFWWWQNUSA-N 1 3 247.386 1.910 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCO[C@H]1CC1(F)F ZINC000665244107 412187630 /nfs/dbraw/zinc/18/76/30/412187630.db2.gz GHKORFPYRRPIRF-YIZRAAEISA-N 1 3 222.279 1.126 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCO[C@H]1CC1(F)F ZINC000665244658 412188489 /nfs/dbraw/zinc/18/84/89/412188489.db2.gz SORPDPSRNZCUCT-VWYCJHECSA-N 1 3 248.317 1.388 20 0 BDADHO C[C@@H](Cc1cnccn1)[NH2+]CC1(N)CCCC1 ZINC000665247271 412192914 /nfs/dbraw/zinc/19/29/14/412192914.db2.gz YYJZPLJJVRKJDF-NSHDSACASA-N 1 3 234.347 1.269 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCC(C)(C)F ZINC000665261970 412203420 /nfs/dbraw/zinc/20/34/20/412203420.db2.gz PZULSBYTFYMFPR-GARJFASQSA-N 1 3 232.343 1.467 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccoc1 ZINC000665261889 412204050 /nfs/dbraw/zinc/20/40/50/412204050.db2.gz NYSCHLJEXUHEBN-DGCLKSJQSA-N 1 3 222.332 1.800 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)O1 ZINC000665264731 412207868 /nfs/dbraw/zinc/20/78/68/412207868.db2.gz HBWFECMEDNJKLS-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNCC[C@H]2C)O1 ZINC000665264731 412207872 /nfs/dbraw/zinc/20/78/72/412207872.db2.gz HBWFECMEDNJKLS-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000665230966 412168358 /nfs/dbraw/zinc/16/83/58/412168358.db2.gz ZMGICQZRBJOSTJ-QBHFIFKDSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](NCCc1noc2ccccc12)C1C[NH2+]C1 ZINC000665232704 412170601 /nfs/dbraw/zinc/17/06/01/412170601.db2.gz RUSVVYKKRYPLBO-SNVBAGLBSA-N 1 3 245.326 1.568 20 0 BDADHO C[C@@H]([NH2+]CCc1noc2ccccc12)C1CNC1 ZINC000665232704 412170603 /nfs/dbraw/zinc/17/06/03/412170603.db2.gz RUSVVYKKRYPLBO-SNVBAGLBSA-N 1 3 245.326 1.568 20 0 BDADHO C[C@@H](N[C@H]1CCN(C(C)(C)C)C1)C1C[NH2+]C1 ZINC000665235829 412174647 /nfs/dbraw/zinc/17/46/47/412174647.db2.gz ARQDEEPOWXUDJL-PWSUYJOCSA-N 1 3 225.380 1.057 20 0 BDADHO CC[C@H]([NH2+]C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000662683400 412269371 /nfs/dbraw/zinc/26/93/71/412269371.db2.gz NRWIUUUKVSGLMH-ZDUSSCGKSA-N 1 3 249.358 1.685 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1C(C)(C)C1(F)F ZINC000665274663 412217483 /nfs/dbraw/zinc/21/74/83/412217483.db2.gz VLXFNISJNCAOQS-DJLDLDEBSA-N 1 3 220.307 1.993 20 0 BDADHO C[C@@H](CCc1ccco1)[NH2+]CC12CC(C1)CN2 ZINC000665276498 412219158 /nfs/dbraw/zinc/21/91/58/412219158.db2.gz DXGPADPIJYGZBF-DCBWTQNWSA-N 1 3 234.343 1.942 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662567186 412222592 /nfs/dbraw/zinc/22/25/92/412222592.db2.gz CABWBUUTLWMBAT-SNVBAGLBSA-N 1 3 247.342 1.147 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)CNC2 ZINC000662569912 412223869 /nfs/dbraw/zinc/22/38/69/412223869.db2.gz WWLTXIAZXYNDLR-QWHCGFSZSA-N 1 3 245.326 1.356 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282261 412227745 /nfs/dbraw/zinc/22/77/45/412227745.db2.gz UNJVIBZUDYWCHS-FRRDWIJNSA-N 1 3 228.380 1.907 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCCc1ccco1 ZINC000665284019 412229573 /nfs/dbraw/zinc/22/95/73/412229573.db2.gz YVYXYQUUURVWCJ-NWDGAFQWSA-N 1 3 208.305 1.682 20 0 BDADHO C[C@@H]([NH2+]CCOCCF)[C@@H]1CCCCN1 ZINC000665299148 412248187 /nfs/dbraw/zinc/24/81/87/412248187.db2.gz HNWMOQDARGICSK-MNOVXSKESA-N 1 3 218.316 1.093 20 0 BDADHO C[C@@H](CCNC(=O)C1(N)CCCCC1)[NH+](C)C ZINC000662857374 412327350 /nfs/dbraw/zinc/32/73/50/412327350.db2.gz ANVBNNNLORKOEZ-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCOC3)CC[C@H]21 ZINC000336712391 173036013 /nfs/dbraw/zinc/03/60/13/173036013.db2.gz RWSBANOOBFVENB-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCOC3)CC[C@H]21 ZINC000336712391 173036014 /nfs/dbraw/zinc/03/60/14/173036014.db2.gz RWSBANOOBFVENB-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCCCCO)CC[C@@H]21 ZINC000129154893 173036730 /nfs/dbraw/zinc/03/67/30/173036730.db2.gz JZZMLWICWPFGCU-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCCCCO)CC[C@@H]21 ZINC000129154893 173036732 /nfs/dbraw/zinc/03/67/32/173036732.db2.gz JZZMLWICWPFGCU-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@@H+]1CCC[C@H](CNc2ccncc2)C1 ZINC000044537716 173042469 /nfs/dbraw/zinc/04/24/69/173042469.db2.gz YCZVTNKQJUMMGB-LLVKDONJSA-N 1 3 205.305 1.835 20 0 BDADHO C[N@H+]1CCC[C@H](CNc2ccncc2)C1 ZINC000044537716 173042471 /nfs/dbraw/zinc/04/24/71/173042471.db2.gz YCZVTNKQJUMMGB-LLVKDONJSA-N 1 3 205.305 1.835 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCOC1 ZINC000336554754 173042891 /nfs/dbraw/zinc/04/28/91/173042891.db2.gz BJDRSPMXRBPURG-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCOC1 ZINC000336554754 173042893 /nfs/dbraw/zinc/04/28/93/173042893.db2.gz BJDRSPMXRBPURG-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCCCCO)CC[C@@H]21 ZINC000129154690 173058884 /nfs/dbraw/zinc/05/88/84/173058884.db2.gz JZZMLWICWPFGCU-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCCCCO)CC[C@@H]21 ZINC000129154690 173058885 /nfs/dbraw/zinc/05/88/85/173058885.db2.gz JZZMLWICWPFGCU-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO Cn1cncc1C[NH2+][C@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000377796823 173154707 /nfs/dbraw/zinc/15/47/07/173154707.db2.gz VHXVJUVSOPUCBN-IHRRRGAJSA-N 1 3 248.374 1.383 20 0 BDADHO Cn1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000278551819 173198429 /nfs/dbraw/zinc/19/84/29/173198429.db2.gz DPZIPQOKHOMPCQ-BETUJISGSA-N 1 3 219.332 1.019 20 0 BDADHO Cn1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000278551819 173198433 /nfs/dbraw/zinc/19/84/33/173198433.db2.gz DPZIPQOKHOMPCQ-BETUJISGSA-N 1 3 219.332 1.019 20 0 BDADHO C[NH2+]CC1CCN(Cc2c(C)noc2C)CC1 ZINC000063158875 173338297 /nfs/dbraw/zinc/33/82/97/173338297.db2.gz SRNACNYEQYYNPJ-UHFFFAOYSA-N 1 3 237.347 1.723 20 0 BDADHO C[NH2+]CC1CCN(Cc2ncccc2C)CC1 ZINC000161837372 173338412 /nfs/dbraw/zinc/33/84/12/173338412.db2.gz LIZHQUGKVBRTRN-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCc2ccc(OC)cc2)C1 ZINC000011892015 173370727 /nfs/dbraw/zinc/37/07/27/173370727.db2.gz OPSCRSBOSUFKJQ-AWEZNQCLSA-N 1 3 248.370 1.779 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)CNCC2CC2)c1 ZINC000296364762 173389653 /nfs/dbraw/zinc/38/96/53/173389653.db2.gz JPTOSGGUFLCRHT-UHFFFAOYSA-N 1 3 247.342 1.344 20 0 BDADHO COCC(C)(C)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000339409341 174069740 /nfs/dbraw/zinc/06/97/40/174069740.db2.gz KTLRINGBCZLGSV-GFCCVEGCSA-N 1 3 230.396 1.964 20 0 BDADHO COCC(C)(C)C[N@H+](C)CC[C@@H](N)C(C)C ZINC000339409341 174069742 /nfs/dbraw/zinc/06/97/42/174069742.db2.gz KTLRINGBCZLGSV-GFCCVEGCSA-N 1 3 230.396 1.964 20 0 BDADHO COCC(C)(C)C[N@@H+](C)CC[C@@H](N)C(C)C ZINC000339409341 174069743 /nfs/dbraw/zinc/06/97/43/174069743.db2.gz KTLRINGBCZLGSV-GFCCVEGCSA-N 1 3 230.396 1.964 20 0 BDADHO COCCCCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000300360430 174177878 /nfs/dbraw/zinc/17/78/78/174177878.db2.gz YJVBPVVAPZAPNA-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000336745060 174180610 /nfs/dbraw/zinc/18/06/10/174180610.db2.gz QMJXUTWMQSSCLL-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000336745060 174180612 /nfs/dbraw/zinc/18/06/12/174180612.db2.gz QMJXUTWMQSSCLL-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127769093 174251638 /nfs/dbraw/zinc/25/16/38/174251638.db2.gz BEFOBKPGNYDWAI-NWDGAFQWSA-N 1 3 212.337 1.239 20 0 BDADHO COCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127769093 174251639 /nfs/dbraw/zinc/25/16/39/174251639.db2.gz BEFOBKPGNYDWAI-NWDGAFQWSA-N 1 3 212.337 1.239 20 0 BDADHO COc1ccc(CC[NH2+]CCCN)cc1OC ZINC000034277497 175091551 /nfs/dbraw/zinc/09/15/51/175091551.db2.gz ZLPVHRHKOAFZMH-UHFFFAOYSA-N 1 3 238.331 1.185 20 0 BDADHO COc1ccc(CCNCCC[NH3+])cc1OC ZINC000034277497 175091554 /nfs/dbraw/zinc/09/15/54/175091554.db2.gz ZLPVHRHKOAFZMH-UHFFFAOYSA-N 1 3 238.331 1.185 20 0 BDADHO COc1cccc(CNCCCC[NH+](C)C)n1 ZINC000070093517 175264077 /nfs/dbraw/zinc/26/40/77/175264077.db2.gz UFRBKTQFBYEXLX-UHFFFAOYSA-N 1 3 237.347 1.522 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H](C1CC1)N(C)C ZINC000360417906 176269778 /nfs/dbraw/zinc/26/97/78/176269778.db2.gz VWHCZMKWABGXSK-KWCYVHTRSA-N 1 3 239.407 1.256 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353663273 176270620 /nfs/dbraw/zinc/27/06/20/176270620.db2.gz UEBMNZBGPLWAAI-GRYCIOLGSA-N 1 3 248.374 1.197 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000020593522 176287949 /nfs/dbraw/zinc/28/79/49/176287949.db2.gz MOPRGPJPFXJIDQ-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251702649 176294521 /nfs/dbraw/zinc/29/45/21/176294521.db2.gz OEKOXZOGQCYOCW-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000309733763 176340719 /nfs/dbraw/zinc/34/07/19/176340719.db2.gz BUVIQXSGDQZPHM-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@@H](CN(C)Cc2cnn(C)c2)CC[NH2+]1 ZINC000235380061 176367251 /nfs/dbraw/zinc/36/72/51/176367251.db2.gz XMTQVRCUQVIQIJ-NEPJUHHUSA-N 1 3 236.363 1.240 20 0 BDADHO C[C@H]1C[N@H+](CCN2CCNCC2)C(C)(C)C1 ZINC000335664913 177252045 /nfs/dbraw/zinc/25/20/45/177252045.db2.gz YJQSGKLKLQAZFY-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1C[N@@H+](CCN2CCNCC2)C(C)(C)C1 ZINC000335664913 177252047 /nfs/dbraw/zinc/25/20/47/177252047.db2.gz YJQSGKLKLQAZFY-GFCCVEGCSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000251661601 177254455 /nfs/dbraw/zinc/25/44/55/177254455.db2.gz GWYJDDLMWLDDIN-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H]1COCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000334370730 177288862 /nfs/dbraw/zinc/28/88/62/177288862.db2.gz PANMSGXEJFWNRP-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1COCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000334370730 177288864 /nfs/dbraw/zinc/28/88/64/177288864.db2.gz PANMSGXEJFWNRP-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1C[C@H](CN(C)Cc2ccccn2)CC[NH2+]1 ZINC000235659902 177361069 /nfs/dbraw/zinc/36/10/69/177361069.db2.gz CVVUTSXZVYSSHJ-QWHCGFSZSA-N 1 3 233.359 1.902 20 0 BDADHO COC[C@@]1(C)CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000487046470 225284053 /nfs/dbraw/zinc/28/40/53/225284053.db2.gz QHQMUAURKRZCIL-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@@]1(C)CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000487046470 225284055 /nfs/dbraw/zinc/28/40/55/225284055.db2.gz QHQMUAURKRZCIL-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCCc2cncn2C)C1 ZINC000314980957 487669036 /nfs/dbraw/zinc/66/90/36/487669036.db2.gz XNMSAOJEDQLSFF-NWDGAFQWSA-N 1 3 236.363 1.022 20 0 BDADHO CCCC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000232972661 487678937 /nfs/dbraw/zinc/67/89/37/487678937.db2.gz ACLOCXVPYOBQSN-ZDUSSCGKSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000082645536 487703915 /nfs/dbraw/zinc/70/39/15/487703915.db2.gz PURVJFXYJLCJNY-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)(O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250366628 487730310 /nfs/dbraw/zinc/73/03/10/487730310.db2.gz PATZABMBWIVXPY-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO C(CC1CCOCC1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000681111820 487730824 /nfs/dbraw/zinc/73/08/24/487730824.db2.gz LURCMAFWYSNVNB-KBPBESRZSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)[C@H](C)O)CN1CCCC1 ZINC000251153242 487749375 /nfs/dbraw/zinc/74/93/75/487749375.db2.gz YMZQAYTXLQNXTI-WOPDTQHZSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@H](CN[C@@H](C)[C@H](C)O)C[NH+]1CCCC1 ZINC000251153242 487749381 /nfs/dbraw/zinc/74/93/81/487749381.db2.gz YMZQAYTXLQNXTI-WOPDTQHZSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000233934033 487753049 /nfs/dbraw/zinc/75/30/49/487753049.db2.gz QUUVMAAYDLIMHN-CHWSQXEVSA-N 1 3 244.379 1.112 20 0 BDADHO CC[C@@H]1CN(CCc2cccnc2)CC[C@H]1[NH3+] ZINC000251679202 487788678 /nfs/dbraw/zinc/78/86/78/487788678.db2.gz HVBFUIDPJCYZCG-ZIAGYGMSSA-N 1 3 233.359 1.683 20 0 BDADHO C[NH2+]C1CCN(C[C@H]2CCO[C@H]2C)CC1 ZINC000234346256 487803995 /nfs/dbraw/zinc/80/39/95/487803995.db2.gz AEKWCKDOMFMDRR-WDEREUQCSA-N 1 3 212.337 1.095 20 0 BDADHO CNC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000234346256 487804003 /nfs/dbraw/zinc/80/40/03/487804003.db2.gz AEKWCKDOMFMDRR-WDEREUQCSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000307587419 487819231 /nfs/dbraw/zinc/81/92/31/487819231.db2.gz TXQUJQUDJHWLLK-MMWGEVLESA-N 1 3 214.378 1.740 20 0 BDADHO C[C@@H]1SCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000307587419 487819235 /nfs/dbraw/zinc/81/92/35/487819235.db2.gz TXQUJQUDJHWLLK-MMWGEVLESA-N 1 3 214.378 1.740 20 0 BDADHO COCCN(CCC[NH3+])[C@H]1CCCSC1 ZINC000414757730 487821332 /nfs/dbraw/zinc/82/13/32/487821332.db2.gz BKORGPAPBICPRJ-NSHDSACASA-N 1 3 232.393 1.179 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCCN)C1 ZINC000414757897 487822241 /nfs/dbraw/zinc/82/22/41/487822241.db2.gz UEVGWICEVMTCLN-SYQHCUMBSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CCCN)C1 ZINC000414757897 487822243 /nfs/dbraw/zinc/82/22/43/487822243.db2.gz UEVGWICEVMTCLN-SYQHCUMBSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@@H]1SCCN(C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000252682476 487828877 /nfs/dbraw/zinc/82/88/77/487828877.db2.gz CCSVXVCDJIGQOH-DCAQKATOSA-N 1 3 214.378 1.422 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000167602691 487854178 /nfs/dbraw/zinc/85/41/78/487854178.db2.gz XCXTZMWZWJIXEH-UTUOFQBUSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000167602691 487854182 /nfs/dbraw/zinc/85/41/82/487854182.db2.gz XCXTZMWZWJIXEH-UTUOFQBUSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@H](C)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000253126519 487855031 /nfs/dbraw/zinc/85/50/31/487855031.db2.gz RLWNKAQYLLBYLB-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](NC[C@H]1CCOc2ccccc21)[C@H](C)[NH3+] ZINC000666930221 487907031 /nfs/dbraw/zinc/90/70/31/487907031.db2.gz ANKQAKYHGFSFDO-QJPTWQEYSA-N 1 3 234.343 1.878 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666993930 487923478 /nfs/dbraw/zinc/92/34/78/487923478.db2.gz ULVZSXCYPDLUEL-LBPRGKRZSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H](COC)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666995318 487925126 /nfs/dbraw/zinc/92/51/26/487925126.db2.gz KBFDSPZHHDZQSL-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@@H](COC)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995318 487925130 /nfs/dbraw/zinc/92/51/30/487925130.db2.gz KBFDSPZHHDZQSL-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO CC(C)CCOCCN1CCC[C@@H](C[NH3+])C1 ZINC000049266393 487944396 /nfs/dbraw/zinc/94/43/96/487944396.db2.gz JHFIHKPHDIKBAV-ZDUSSCGKSA-N 1 3 228.380 1.720 20 0 BDADHO CC(C)[NH2+]CCCN[C@H](C)Cn1cccn1 ZINC000562956495 323035157 /nfs/dbraw/zinc/03/51/57/323035157.db2.gz ZUKAXFMWWDBYOQ-GFCCVEGCSA-N 1 3 224.352 1.249 20 0 BDADHO COC(=O)CC1([NH2+]CC[C@@H]2CCCN2C)CC1 ZINC000572726006 323037469 /nfs/dbraw/zinc/03/74/69/323037469.db2.gz DPJSGYLWMREFIP-NSHDSACASA-N 1 3 240.347 1.156 20 0 BDADHO COC[C@H](C)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570092900 323049959 /nfs/dbraw/zinc/04/99/59/323049959.db2.gz AVNRUJDLJLZNEM-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)CSC)C1 ZINC000562984715 323078061 /nfs/dbraw/zinc/07/80/61/323078061.db2.gz FMFLQCHANWEYTF-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)CSC)C1 ZINC000562984715 323078062 /nfs/dbraw/zinc/07/80/62/323078062.db2.gz FMFLQCHANWEYTF-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)CSC)C1 ZINC000562984715 323078063 /nfs/dbraw/zinc/07/80/63/323078063.db2.gz FMFLQCHANWEYTF-RYUDHWBXSA-N 1 3 246.420 1.032 20 0 BDADHO CCC[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000390072372 323083358 /nfs/dbraw/zinc/08/33/58/323083358.db2.gz OGTCKSLCNPFMOB-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO CC[C@@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000531378755 323088298 /nfs/dbraw/zinc/08/82/98/323088298.db2.gz WGFRVINCPZRPLK-RWMBFGLXSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000531378755 323088299 /nfs/dbraw/zinc/08/82/99/323088299.db2.gz WGFRVINCPZRPLK-RWMBFGLXSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)OCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397392265 323108156 /nfs/dbraw/zinc/10/81/56/323108156.db2.gz NZGPOMKLSBCKGI-AVGNSLFASA-N 1 3 228.380 1.717 20 0 BDADHO CCc1ncc(C[NH2+]C[C@@H]2CCCN(C)C2)cn1 ZINC000567141360 323129829 /nfs/dbraw/zinc/12/98/29/323129829.db2.gz XYILZJLZABJOJE-LBPRGKRZSA-N 1 3 248.374 1.470 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc3cncn3c2)C1 ZINC000571225897 323138735 /nfs/dbraw/zinc/13/87/35/323138735.db2.gz DTNCPASGLWPPQV-OLZOCXBDSA-N 1 3 244.342 1.694 20 0 BDADHO Cc1cnc(CCN[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000571418744 323144476 /nfs/dbraw/zinc/14/44/76/323144476.db2.gz YYRSEDXDRJNBTK-NEPJUHHUSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000535034689 323164111 /nfs/dbraw/zinc/16/41/11/323164111.db2.gz DIANNPSLRQAQJB-AWEZNQCLSA-N 1 3 248.374 1.362 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000535034689 323164112 /nfs/dbraw/zinc/16/41/12/323164112.db2.gz DIANNPSLRQAQJB-AWEZNQCLSA-N 1 3 248.374 1.362 20 0 BDADHO Cc1nc(CCN[C@H]2CCC[C@H]([NH3+])C2)c(C)o1 ZINC000563735406 323176701 /nfs/dbraw/zinc/17/67/01/323176701.db2.gz ZOICIYVHKOPNGB-RYUDHWBXSA-N 1 3 237.347 1.693 20 0 BDADHO COCCCCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395097693 323187008 /nfs/dbraw/zinc/18/70/08/323187008.db2.gz DEVKSNYPDQHABM-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO CC1(C)CC(CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000530220366 323217876 /nfs/dbraw/zinc/21/78/76/323217876.db2.gz UEVCGKKOEAYMLD-TXEJJXNPSA-N 1 3 208.349 1.574 20 0 BDADHO CCOC(=O)CCCCCN(C)C1CC([NH3+])C1 ZINC000395395432 323225656 /nfs/dbraw/zinc/22/56/56/323225656.db2.gz WDLJALUVZJDTBZ-UHFFFAOYSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCCCC[N@H+](C)C1CC(N)C1 ZINC000395395432 323225658 /nfs/dbraw/zinc/22/56/58/323225658.db2.gz WDLJALUVZJDTBZ-UHFFFAOYSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCCCC[N@@H+](C)C1CC(N)C1 ZINC000395395432 323225660 /nfs/dbraw/zinc/22/56/60/323225660.db2.gz WDLJALUVZJDTBZ-UHFFFAOYSA-N 1 3 242.363 1.531 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(C)C[C@@H]2C)C1 ZINC000532531146 323274444 /nfs/dbraw/zinc/27/44/44/323274444.db2.gz SBQRJQNMRXEMOI-HZSPNIEDSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@H]3CCC[C@H]32)CC[NH2+]1 ZINC000300140645 323365830 /nfs/dbraw/zinc/36/58/30/323365830.db2.gz NFLYSROMDVKDLP-SYQHCUMBSA-N 1 3 238.375 1.628 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@H](C)C(C)(C)C)C[C@H]1CN ZINC000405865515 487961160 /nfs/dbraw/zinc/96/11/60/487961160.db2.gz PGEUASZDAUBGGH-YNEHKIRRSA-N 1 3 242.407 1.964 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@H](C)C(C)(C)C)C[C@H]1CN ZINC000405865515 487961161 /nfs/dbraw/zinc/96/11/61/487961161.db2.gz PGEUASZDAUBGGH-YNEHKIRRSA-N 1 3 242.407 1.964 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000122601545 324050224 /nfs/dbraw/zinc/05/02/24/324050224.db2.gz JKSPJOMOMDJICK-AGIUHOORSA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@H](COC)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122601545 324050227 /nfs/dbraw/zinc/05/02/27/324050227.db2.gz JKSPJOMOMDJICK-AGIUHOORSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CN)CCOC1 ZINC000397223506 324113218 /nfs/dbraw/zinc/11/32/18/324113218.db2.gz LUGROXMSQLXNFD-QJPTWQEYSA-N 1 3 212.337 1.130 20 0 BDADHO COc1ccc(CCNC[C@]2(C)CC[NH2+]C2)cn1 ZINC000530243308 324554434 /nfs/dbraw/zinc/55/44/34/324554434.db2.gz HGSXYOYPLAZNTK-AWEZNQCLSA-N 1 3 249.358 1.222 20 0 BDADHO CCC(CC)C[NH+](CCN(C)C)CCN(C)C ZINC000564315305 325334780 /nfs/dbraw/zinc/33/47/80/325334780.db2.gz OBYLGPHVWOXTFT-UHFFFAOYSA-N 1 3 243.439 1.848 20 0 BDADHO C[NH+](C)CCCNCc1ccc2[nH]cnc2c1 ZINC000134519245 325363078 /nfs/dbraw/zinc/36/30/78/325363078.db2.gz HMUYUSVOOAPNDN-UHFFFAOYSA-N 1 3 232.331 1.604 20 0 BDADHO C[NH+](C)CCCNCc1ccc2nc[nH]c2c1 ZINC000134519245 325363080 /nfs/dbraw/zinc/36/30/80/325363080.db2.gz HMUYUSVOOAPNDN-UHFFFAOYSA-N 1 3 232.331 1.604 20 0 BDADHO CN(C)CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000134519245 325363082 /nfs/dbraw/zinc/36/30/82/325363082.db2.gz HMUYUSVOOAPNDN-UHFFFAOYSA-N 1 3 232.331 1.604 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000158613888 487969154 /nfs/dbraw/zinc/96/91/54/487969154.db2.gz QQABFKAWRLVJCR-IJLUTSLNSA-N 1 3 214.353 1.374 20 0 BDADHO C[C@@H]1CC([NH2+][C@@H]2CCNCC[C@@H]2C)C[C@@H](C)O1 ZINC000566090652 325992889 /nfs/dbraw/zinc/99/28/89/325992889.db2.gz HHKCRRHXFFXRJQ-FMCLSXCISA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000566648781 326071322 /nfs/dbraw/zinc/07/13/22/326071322.db2.gz CVCSRHHNYLDSAL-MELADBBJSA-N 1 3 241.423 1.787 20 0 BDADHO [NH3+]C1(CNC[C@@H]2CCCC[C@H]2O)CCC1 ZINC000566743222 326077539 /nfs/dbraw/zinc/07/75/39/326077539.db2.gz PGWVXFADYGDPSW-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000566974496 326098335 /nfs/dbraw/zinc/09/83/35/326098335.db2.gz XNLITMPBEPYYEI-GAFUQQFSSA-N 1 3 249.358 1.677 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@](C)(O)C1 ZINC000154412183 326143173 /nfs/dbraw/zinc/14/31/73/326143173.db2.gz GOHGRIBFTPUJTC-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@](C)(O)C1 ZINC000154412183 326143175 /nfs/dbraw/zinc/14/31/75/326143175.db2.gz GOHGRIBFTPUJTC-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO CC[NH2+]CCCN[C@H](C)[C@@H]1CCCO1 ZINC000567638860 326236282 /nfs/dbraw/zinc/23/62/82/326236282.db2.gz NXVHFWZSWZKWCC-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO COCC1(CC[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000567893665 326278466 /nfs/dbraw/zinc/27/84/66/326278466.db2.gz ICHCRAQDWZEUKX-OLZOCXBDSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000568248444 326334326 /nfs/dbraw/zinc/33/43/26/326334326.db2.gz QQJKUNQMSSJJMN-VXGBXAGGSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cn1 ZINC000568248444 326334327 /nfs/dbraw/zinc/33/43/27/326334327.db2.gz QQJKUNQMSSJJMN-VXGBXAGGSA-N 1 3 234.347 1.187 20 0 BDADHO c1[nH]nc2cc(CNCCC[NH+]3CCC3)ccc12 ZINC000568533240 326364563 /nfs/dbraw/zinc/36/45/63/326364563.db2.gz PKERNYPDGKVZHV-UHFFFAOYSA-N 1 3 244.342 1.748 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000568864493 326379941 /nfs/dbraw/zinc/37/99/41/326379941.db2.gz BGOBVPDEHHFTDY-ZWNOBZJWSA-N 1 3 247.342 1.390 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000229967156 488015619 /nfs/dbraw/zinc/01/56/19/488015619.db2.gz NIPJNDAIYSSCEH-OASPWFOLSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH+]1CCC(OCCN(C)C)CC1 ZINC000488336810 533716550 /nfs/dbraw/zinc/71/65/50/533716550.db2.gz IGQRTXLQWODLEP-CHWSQXEVSA-N 1 3 240.391 1.685 20 0 BDADHO CN(C)Cc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000084166478 488031222 /nfs/dbraw/zinc/03/12/22/488031222.db2.gz ZSJIJFDONDLSCD-UHFFFAOYSA-N 1 3 249.358 1.814 20 0 BDADHO C(CN1CCO[C@@H]2CCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000084385512 488049875 /nfs/dbraw/zinc/04/98/75/488049875.db2.gz HVSZJRVVXBQCTK-RWMBFGLXSA-N 1 3 224.348 1.239 20 0 BDADHO Cc1cnc(CCN[C@@H](C)C2C[NH2+]C2)c(C)c1 ZINC000656200691 488066361 /nfs/dbraw/zinc/06/63/61/488066361.db2.gz PTLPLCFSHIOKQJ-LBPRGKRZSA-N 1 3 233.359 1.438 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H](C)C2CNC2)c(C)c1 ZINC000656200691 488066367 /nfs/dbraw/zinc/06/63/67/488066367.db2.gz PTLPLCFSHIOKQJ-LBPRGKRZSA-N 1 3 233.359 1.438 20 0 BDADHO CC[C@H](N[C@@H](C)C1C[NH2+]C1)[C@H]1CCCCO1 ZINC000656200609 488066813 /nfs/dbraw/zinc/06/68/13/488066813.db2.gz BBTUVTADGSHAGN-WCFLWFBJSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H]([NH2+][C@@H](C)C1CNC1)[C@H]1CCCCO1 ZINC000656200609 488066819 /nfs/dbraw/zinc/06/68/19/488066819.db2.gz BBTUVTADGSHAGN-WCFLWFBJSA-N 1 3 226.364 1.532 20 0 BDADHO C([C@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257651313 488074928 /nfs/dbraw/zinc/07/49/28/488074928.db2.gz DIZMWEKKWPSAKQ-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257651313 488074931 /nfs/dbraw/zinc/07/49/31/488074931.db2.gz DIZMWEKKWPSAKQ-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403256605 488119225 /nfs/dbraw/zinc/11/92/25/488119225.db2.gz WIVICTCFFSCFKT-ZOBORPQBSA-N 1 3 222.376 1.964 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403256605 488119229 /nfs/dbraw/zinc/11/92/29/488119229.db2.gz WIVICTCFFSCFKT-ZOBORPQBSA-N 1 3 222.376 1.964 20 0 BDADHO CC[NH+](CC)CCCNC(=O)[C@@H](N)CC(C)C ZINC000019440496 488119843 /nfs/dbraw/zinc/11/98/43/488119843.db2.gz FWEYGIOIUAXPGR-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001172757759 974930712 /nfs/dbraw/zinc/93/07/12/974930712.db2.gz CCQLPEINXJJCGV-KPPDAEKUSA-N 1 3 228.336 1.186 20 0 BDADHO CC(C)[NH+]1CCC(NC2([C@H](C)O)CC2)CC1 ZINC000668700346 488133996 /nfs/dbraw/zinc/13/39/96/488133996.db2.gz SYSHIRUZBNKWDK-NSHDSACASA-N 1 3 226.364 1.362 20 0 BDADHO CCCN(CCN(C)C)C(=O)CCC(C)(C)[NH3+] ZINC000070088328 487549247 /nfs/dbraw/zinc/54/92/47/487549247.db2.gz VXBMZXMZEVWFBO-UHFFFAOYSA-N 1 3 243.395 1.304 20 0 BDADHO C[NH+](C)CCC[C@@H]1CN(CC2(C)CC2)CCO1 ZINC000668785833 487531492 /nfs/dbraw/zinc/53/14/92/487531492.db2.gz YYKNCRCUNXFINU-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H]1C ZINC000381084280 487495663 /nfs/dbraw/zinc/49/56/63/487495663.db2.gz SGQJPHXDTOHHRY-UPJWGTAASA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)[C@H]1C ZINC000381084280 487495667 /nfs/dbraw/zinc/49/56/67/487495667.db2.gz SGQJPHXDTOHHRY-UPJWGTAASA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](C2CC2)C1 ZINC000399987809 487498804 /nfs/dbraw/zinc/49/88/04/487498804.db2.gz CYNUDQSWNUAYJE-KGLIPLIRSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](C2CC2)C1 ZINC000399987809 487498809 /nfs/dbraw/zinc/49/88/09/487498809.db2.gz CYNUDQSWNUAYJE-KGLIPLIRSA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000169813676 487508157 /nfs/dbraw/zinc/50/81/57/487508157.db2.gz QYZHFMZUSSGGDL-LLVKDONJSA-N 1 3 221.304 1.067 20 0 BDADHO CC(C)[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000169813678 487508358 /nfs/dbraw/zinc/50/83/58/487508358.db2.gz QYZHFMZUSSGGDL-NSHDSACASA-N 1 3 221.304 1.067 20 0 BDADHO C[C@@H](C(=O)N(C)CCC[NH3+])N1CCCCCC1 ZINC000158749596 487974355 /nfs/dbraw/zinc/97/43/55/487974355.db2.gz GNIJWHDDALCYGU-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCCOC2)CC1 ZINC000683228092 488134991 /nfs/dbraw/zinc/13/49/91/488134991.db2.gz SMXQBZSNOLNVNJ-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CCCOC2)CC1 ZINC000683228092 488134993 /nfs/dbraw/zinc/13/49/93/488134993.db2.gz SMXQBZSNOLNVNJ-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN(C)CCC(C)C ZINC000379850856 488154476 /nfs/dbraw/zinc/15/44/76/488154476.db2.gz AOYRKZZJDXSMRF-LBPRGKRZSA-N 1 3 216.369 1.277 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN(C)CCC(C)C ZINC000379850856 488154481 /nfs/dbraw/zinc/15/44/81/488154481.db2.gz AOYRKZZJDXSMRF-LBPRGKRZSA-N 1 3 216.369 1.277 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@H](C)CC[C@H]1C ZINC000380145002 488175479 /nfs/dbraw/zinc/17/54/79/488175479.db2.gz HDYLLEYHSVZEBB-MGPQQGTHSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@H](C)CC[C@H]1C ZINC000380145002 488175480 /nfs/dbraw/zinc/17/54/80/488175480.db2.gz HDYLLEYHSVZEBB-MGPQQGTHSA-N 1 3 242.407 1.808 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000678081882 488193464 /nfs/dbraw/zinc/19/34/64/488193464.db2.gz GDVPCYAIGKKEQS-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000678081882 488193465 /nfs/dbraw/zinc/19/34/65/488193465.db2.gz GDVPCYAIGKKEQS-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO COCCOc1ccc(CNCCC[NH3+])cc1 ZINC000437801526 488208116 /nfs/dbraw/zinc/20/81/16/488208116.db2.gz YZUUZFVFWXSXBQ-UHFFFAOYSA-N 1 3 238.331 1.150 20 0 BDADHO c1cc2cccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)c2[nH]1 ZINC000678342924 488243369 /nfs/dbraw/zinc/24/33/69/488243369.db2.gz HQCHLYCVBBIYAQ-ZIAGYGMSSA-N 1 3 241.338 1.819 20 0 BDADHO CCOCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000049709341 488315890 /nfs/dbraw/zinc/31/58/90/488315890.db2.gz TVJQODNBKXKMBG-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO Cc1cc(C)cc(C[N@@H+]2CCCO[C@H](CN)C2)c1 ZINC000313362371 490304071 /nfs/dbraw/zinc/30/40/71/490304071.db2.gz VGQNKWMUJLVUGW-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1cc(C)cc(C[N@H+]2CCCO[C@H](CN)C2)c1 ZINC000313362371 490304080 /nfs/dbraw/zinc/30/40/80/490304080.db2.gz VGQNKWMUJLVUGW-OAHLLOKOSA-N 1 3 248.370 1.853 20 0 BDADHO CCSCC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000598681770 491084333 /nfs/dbraw/zinc/08/43/33/491084333.db2.gz JKUNRRRFXDDYGQ-WDEREUQCSA-N 1 3 214.378 1.553 20 0 BDADHO CCSCC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000598681770 491084334 /nfs/dbraw/zinc/08/43/34/491084334.db2.gz JKUNRRRFXDDYGQ-WDEREUQCSA-N 1 3 214.378 1.553 20 0 BDADHO CCSCC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000598681768 491084305 /nfs/dbraw/zinc/08/43/05/491084305.db2.gz JKUNRRRFXDDYGQ-QWRGUYRKSA-N 1 3 214.378 1.553 20 0 BDADHO CCSCC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000598681768 491084307 /nfs/dbraw/zinc/08/43/07/491084307.db2.gz JKUNRRRFXDDYGQ-QWRGUYRKSA-N 1 3 214.378 1.553 20 0 BDADHO CN1CCC(C[N@@H+]2CCN(C)CC2(C)C)CC1 ZINC000892054198 582776994 /nfs/dbraw/zinc/77/69/94/582776994.db2.gz ABKDRDOHTQTPEG-UHFFFAOYSA-N 1 3 239.407 1.354 20 0 BDADHO CN1CCC(C[N@H+]2CCN(C)CC2(C)C)CC1 ZINC000892054198 582776998 /nfs/dbraw/zinc/77/69/98/582776998.db2.gz ABKDRDOHTQTPEG-UHFFFAOYSA-N 1 3 239.407 1.354 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000226067661 534650877 /nfs/dbraw/zinc/65/08/77/534650877.db2.gz OWIFFZGPMKJYDD-FRRDWIJNSA-N 1 3 242.407 1.891 20 0 BDADHO CC(C)[C@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251310819 535037375 /nfs/dbraw/zinc/03/73/75/535037375.db2.gz JZCFXZIJIQESCD-MCIONIFRSA-N 1 3 242.407 1.904 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CCCOC1 ZINC000252686668 535063706 /nfs/dbraw/zinc/06/37/06/535063706.db2.gz KCHNGLLKAJYCLZ-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H]2CC[NH2+]C2)C1(C)C ZINC000261534285 535408726 /nfs/dbraw/zinc/40/87/26/535408726.db2.gz PJTXGJAXWGCHOK-QJPTWQEYSA-N 1 3 226.364 1.389 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCCO ZINC000348325828 535593949 /nfs/dbraw/zinc/59/39/49/535593949.db2.gz WTXFDDNSICRVGI-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCCO ZINC000348325828 535593956 /nfs/dbraw/zinc/59/39/56/535593956.db2.gz WTXFDDNSICRVGI-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@H](C)[NH2+]CCOCCN(C)C ZINC000219321825 535653029 /nfs/dbraw/zinc/65/30/29/535653029.db2.gz NYZMAAPAWDSTJV-NSHDSACASA-N 1 3 202.342 1.343 20 0 BDADHO CCN1CCN(CCC[NH2+][C@H](C)C2CC2)CC1 ZINC000177212761 535698088 /nfs/dbraw/zinc/69/80/88/535698088.db2.gz YOGNPLGIJAYYRJ-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@]1(CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261811347 535767721 /nfs/dbraw/zinc/76/77/21/535767721.db2.gz HRIHHOKRPPIRET-ZIAGYGMSSA-N 1 3 240.391 1.613 20 0 BDADHO CCC[C@]1(CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261811347 535767722 /nfs/dbraw/zinc/76/77/22/535767722.db2.gz HRIHHOKRPPIRET-ZIAGYGMSSA-N 1 3 240.391 1.613 20 0 BDADHO CC[C@@H]1C[C@H](CN2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000262061731 535900007 /nfs/dbraw/zinc/90/00/07/535900007.db2.gz RESPPVNJCSEIKK-FDYHWXHSSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130236804 536122348 /nfs/dbraw/zinc/12/23/48/536122348.db2.gz VOHKMNDNLRWFMR-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130236804 536122354 /nfs/dbraw/zinc/12/23/54/536122354.db2.gz VOHKMNDNLRWFMR-FRRDWIJNSA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1ccsc1 ZINC000234733559 536596014 /nfs/dbraw/zinc/59/60/14/536596014.db2.gz JRLCETVQLSEWLR-LLVKDONJSA-N 1 3 228.361 1.592 20 0 BDADHO COc1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000261533601 536897093 /nfs/dbraw/zinc/89/70/93/536897093.db2.gz LCFYKKOKHGZLGK-UWVGGRQHSA-N 1 3 208.305 1.521 20 0 BDADHO COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000230287013 537039910 /nfs/dbraw/zinc/03/99/10/537039910.db2.gz HLVFAVJYALXGHD-ZIAGYGMSSA-N 1 3 248.370 1.955 20 0 BDADHO COc1ccccc1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000230287013 537039914 /nfs/dbraw/zinc/03/99/14/537039914.db2.gz HLVFAVJYALXGHD-ZIAGYGMSSA-N 1 3 248.370 1.955 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062008 582656514 /nfs/dbraw/zinc/65/65/14/582656514.db2.gz WGOVSMHKIMPKID-STQMWFEESA-N 1 3 240.391 1.646 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CC1CC[NH+](C)CC1 ZINC000892048169 582773440 /nfs/dbraw/zinc/77/34/40/582773440.db2.gz IAZZORHYRIOUPK-NEPJUHHUSA-N 1 3 226.364 1.437 20 0 BDADHO CC/C=C\CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849035258 582836569 /nfs/dbraw/zinc/83/65/69/582836569.db2.gz BOHZEJXIUCABCB-FJOGCWAESA-N 1 3 238.379 1.551 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892668840 582946871 /nfs/dbraw/zinc/94/68/71/582946871.db2.gz RIDFHIRHNXMKNE-AAEUAGOBSA-N 1 3 242.363 1.260 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892668843 582946888 /nfs/dbraw/zinc/94/68/88/582946888.db2.gz RIDFHIRHNXMKNE-YPMHNXCESA-N 1 3 242.363 1.260 20 0 BDADHO CC(=O)OC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000893094010 583048272 /nfs/dbraw/zinc/04/82/72/583048272.db2.gz CUVJIGULBKVHQZ-DRZSPHRISA-N 1 3 242.363 1.400 20 0 BDADHO C[C@@H](CC1CCC1)[NH2+]CC1(O)CCN(C)CC1 ZINC000397610344 583102859 /nfs/dbraw/zinc/10/28/59/583102859.db2.gz RAWFUBALLRFBID-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO Cc1ccnc(N)c1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000894253716 583393462 /nfs/dbraw/zinc/39/34/62/583393462.db2.gz GXWBVENTVDDQHU-LBPRGKRZSA-N 1 3 248.374 1.404 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+]CCCN1CCCN(C)CC1 ZINC000894377750 583442046 /nfs/dbraw/zinc/44/20/46/583442046.db2.gz FWZZOIKECRLHAT-KGLIPLIRSA-N 1 3 239.407 1.260 20 0 BDADHO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccncc1CO ZINC000894476992 583469852 /nfs/dbraw/zinc/46/98/52/583469852.db2.gz VUMZSMBNYQXAOJ-GFCCVEGCSA-N 1 3 249.358 1.281 20 0 BDADHO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccncc1CO ZINC000894476992 583469853 /nfs/dbraw/zinc/46/98/53/583469853.db2.gz VUMZSMBNYQXAOJ-GFCCVEGCSA-N 1 3 249.358 1.281 20 0 BDADHO C[C@H](CC[NH2+]C1CC(n2cccn2)C1)N(C)C ZINC000895293754 583639421 /nfs/dbraw/zinc/63/94/21/583639421.db2.gz PIBPUVJHVCJXCJ-PNESKVBLSA-N 1 3 236.363 1.516 20 0 BDADHO C[C@H](CCNC1CC(n2cccn2)C1)[NH+](C)C ZINC000895293754 583639422 /nfs/dbraw/zinc/63/94/22/583639422.db2.gz PIBPUVJHVCJXCJ-PNESKVBLSA-N 1 3 236.363 1.516 20 0 BDADHO C[C@H](CC[NH2+]Cc1cccc2n[nH]cc21)N(C)C ZINC000895293178 583639682 /nfs/dbraw/zinc/63/96/82/583639682.db2.gz VSWJXFULNSGGIG-LLVKDONJSA-N 1 3 246.358 1.993 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000895386803 583663236 /nfs/dbraw/zinc/66/32/36/583663236.db2.gz YCCILGUTEXEEBY-ZIAGYGMSSA-N 1 3 238.375 1.297 20 0 BDADHO CN1CCC(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000895386803 583663237 /nfs/dbraw/zinc/66/32/37/583663237.db2.gz YCCILGUTEXEEBY-ZIAGYGMSSA-N 1 3 238.375 1.297 20 0 BDADHO CO[C@H]1CC[C@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000896074700 583768801 /nfs/dbraw/zinc/76/88/01/583768801.db2.gz CNLKLSGMVFCMHX-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1CC[C@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000896074700 583768802 /nfs/dbraw/zinc/76/88/02/583768802.db2.gz CNLKLSGMVFCMHX-JSGCOSHPSA-N 1 3 240.391 1.828 20 0 BDADHO CCO[C@@H](CNc1cc[nH+]cc1C)CN(C)C ZINC000896113884 583771509 /nfs/dbraw/zinc/77/15/09/583771509.db2.gz UGQKYAVDYGKZCS-LBPRGKRZSA-N 1 3 237.347 1.191 20 0 BDADHO CC[NH+](CC)CCCNc1ccnc(CO)c1 ZINC000858310912 588944102 /nfs/dbraw/zinc/94/41/02/588944102.db2.gz BCKCVMWYPOPGET-UHFFFAOYSA-N 1 3 237.347 1.718 20 0 BDADHO CN1CCC([NH2+]CCN2CCC(C)(C)C2)CC1 ZINC000898035732 584078821 /nfs/dbraw/zinc/07/88/21/584078821.db2.gz YRBZMNAEWLDJSC-UHFFFAOYSA-N 1 3 239.407 1.402 20 0 BDADHO C[NH+]1CCC(NCc2ccc(CCO)cc2)CC1 ZINC000898171255 584088787 /nfs/dbraw/zinc/08/87/87/584088787.db2.gz UNDFCUGZQLEJOH-UHFFFAOYSA-N 1 3 248.370 1.405 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873282266 584129054 /nfs/dbraw/zinc/12/90/54/584129054.db2.gz SIZNVAMONOLIMY-PJSNJIKXSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H](CNC(=[NH2+])N[C@H](C)C1CC1)N1CCCC1 ZINC000899266750 584190237 /nfs/dbraw/zinc/19/02/37/584190237.db2.gz XDVYWGKVPNWTIT-GHMZBOCLSA-N 1 3 238.379 1.383 20 0 BDADHO C[C@H](NC(=[NH2+])NC[C@@H]1CCCN(C)C1)C1CC1 ZINC000899266864 584190406 /nfs/dbraw/zinc/19/04/06/584190406.db2.gz IGBMNBSCYHTBRE-QWRGUYRKSA-N 1 3 238.379 1.241 20 0 BDADHO Cn1ncc(-c2ccc(CN)s2)c1C[NH3+] ZINC000899324305 584196783 /nfs/dbraw/zinc/19/67/83/584196783.db2.gz YCLPBQCFCDSTRU-UHFFFAOYSA-N 1 3 222.317 1.066 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCCO2)C1 ZINC000902317031 584556790 /nfs/dbraw/zinc/55/67/90/584556790.db2.gz JWZJIGHOKIPJBD-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902347096 584559315 /nfs/dbraw/zinc/55/93/15/584559315.db2.gz KTOKROPDBRWIME-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@H](O)CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347096 584559318 /nfs/dbraw/zinc/55/93/18/584559318.db2.gz KTOKROPDBRWIME-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO COC[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369862 584566184 /nfs/dbraw/zinc/56/61/84/584566184.db2.gz MOXZNHBDRCLLON-NWDGAFQWSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902371744 584566556 /nfs/dbraw/zinc/56/65/56/584566556.db2.gz UOYCUDGQOMJBRR-SDDRHHMPSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371744 584566557 /nfs/dbraw/zinc/56/65/57/584566557.db2.gz UOYCUDGQOMJBRR-SDDRHHMPSA-N 1 3 228.380 1.514 20 0 BDADHO CC(C)OCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902373410 584566808 /nfs/dbraw/zinc/56/68/08/584566808.db2.gz DLPXSWBTUJLRMG-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC2(O)CCC2)C1 ZINC000902362102 584572817 /nfs/dbraw/zinc/57/28/17/584572817.db2.gz VWPGNCQFJTYHBT-LLVKDONJSA-N 1 3 226.364 1.269 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000902362102 584572819 /nfs/dbraw/zinc/57/28/19/584572819.db2.gz VWPGNCQFJTYHBT-LLVKDONJSA-N 1 3 226.364 1.269 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391482 584582055 /nfs/dbraw/zinc/58/20/55/584582055.db2.gz XOYPZQRBSKUMQX-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCNCC(C)(C)C2)C1 ZINC000902391482 584582057 /nfs/dbraw/zinc/58/20/57/584582057.db2.gz XOYPZQRBSKUMQX-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902399036 584586072 /nfs/dbraw/zinc/58/60/72/584586072.db2.gz TZMPKYBQZFTRJX-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO COC[C@H](CC(C)C)NCC1([NH3+])CC1 ZINC000902416333 584590653 /nfs/dbraw/zinc/59/06/53/584590653.db2.gz MYJSTEKLLBHQTK-JTQLQIEISA-N 1 3 200.326 1.128 20 0 BDADHO CCCC[C@H](COC)NCC1([NH3+])CC1 ZINC000902416995 584591052 /nfs/dbraw/zinc/59/10/52/584591052.db2.gz QSJADBXRKHWPHL-SNVBAGLBSA-N 1 3 200.326 1.273 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000902428001 584594476 /nfs/dbraw/zinc/59/44/76/584594476.db2.gz AEAZCAISSFEXGB-NDBYEHHHSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCC[C@@H]1CCCC[C@@H]1O ZINC000902428001 584594478 /nfs/dbraw/zinc/59/44/78/584594478.db2.gz AEAZCAISSFEXGB-NDBYEHHHSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)[C@H]1CCC[NH2+]1 ZINC000902435825 584596429 /nfs/dbraw/zinc/59/64/29/584596429.db2.gz VMBMRMRTWHLNKS-CJYSPXJISA-N 1 3 245.370 1.341 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436470 584596703 /nfs/dbraw/zinc/59/67/03/584596703.db2.gz YOTYBVWAEAJYLJ-DMTCVQMQSA-N 1 3 233.359 1.327 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902442037 584597728 /nfs/dbraw/zinc/59/77/28/584597728.db2.gz HJHYOEJLYUIVFJ-AVGNSLFASA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CNCC2(C)C)C1 ZINC000902443714 584598431 /nfs/dbraw/zinc/59/84/31/584598431.db2.gz LXQALUOVAULHBK-QJPTWQEYSA-N 1 3 226.364 1.532 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000902452534 584607534 /nfs/dbraw/zinc/60/75/34/584607534.db2.gz KSZRYSCQLFHGSX-QLHLUDRRSA-N 1 3 222.332 1.022 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CCC(C)(C)C1 ZINC000902455122 584609495 /nfs/dbraw/zinc/60/94/95/584609495.db2.gz JDVWRVXEMIYSNY-NEPJUHHUSA-N 1 3 227.396 1.434 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2nonc2c1 ZINC000902458098 584609997 /nfs/dbraw/zinc/60/99/97/584609997.db2.gz STZFOONBWFTAFH-WDEREUQCSA-N 1 3 246.314 1.440 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCCN1CCC(C)(C)C1 ZINC000902456388 584610368 /nfs/dbraw/zinc/61/03/68/584610368.db2.gz OMMUHHKQWYTZDT-STQMWFEESA-N 1 3 239.407 1.306 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1cn(C)cn1 ZINC000902460673 584611569 /nfs/dbraw/zinc/61/15/69/584611569.db2.gz IHUMRMPKRZMVFA-SNVBAGLBSA-N 1 3 210.325 1.027 20 0 BDADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902469228 584615549 /nfs/dbraw/zinc/61/55/49/584615549.db2.gz ZHLKRBOALATZSU-RXGFPQBGSA-N 1 3 208.349 1.904 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902502888 584620789 /nfs/dbraw/zinc/62/07/89/584620789.db2.gz HEIVZNXYAKKGEN-XQQFMLRXSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCCN2)[C@H](C)O1 ZINC000902481737 584623864 /nfs/dbraw/zinc/62/38/64/584623864.db2.gz GHGJJMRYDAPYOT-XQHKEYJVSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cncc(F)c1 ZINC000902486918 584626110 /nfs/dbraw/zinc/62/61/10/584626110.db2.gz IGTNVELHTTUIRC-AUTRQRHGSA-N 1 3 223.295 1.609 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOC1CCSCC1 ZINC000902521392 584631378 /nfs/dbraw/zinc/63/13/78/584631378.db2.gz RXUXKUPZUODSHN-GHMZBOCLSA-N 1 3 246.420 1.614 20 0 BDADHO C1CC1[C@@H]1COC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902522426 584631885 /nfs/dbraw/zinc/63/18/85/584631885.db2.gz WUXPDPGHYQTGTG-FRRDWIJNSA-N 1 3 224.348 1.143 20 0 BDADHO C1CC1[C@H]1COC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000902522427 584632084 /nfs/dbraw/zinc/63/20/84/584632084.db2.gz WUXPDPGHYQTGTG-JHJVBQTASA-N 1 3 224.348 1.143 20 0 BDADHO CO[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903158089 584731125 /nfs/dbraw/zinc/73/11/25/584731125.db2.gz QNKYWYSWFIDREN-WDFAYWTNSA-N 1 3 238.375 1.769 20 0 BDADHO CO[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903158089 584731126 /nfs/dbraw/zinc/73/11/26/584731126.db2.gz QNKYWYSWFIDREN-WDFAYWTNSA-N 1 3 238.375 1.769 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000903316800 584750145 /nfs/dbraw/zinc/75/01/45/584750145.db2.gz HWCZGOKGEAXRMM-XJFOESAGSA-N 1 3 237.391 1.153 20 0 BDADHO CN1CC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000903316800 584750146 /nfs/dbraw/zinc/75/01/46/584750146.db2.gz HWCZGOKGEAXRMM-XJFOESAGSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000903442700 584767835 /nfs/dbraw/zinc/76/78/35/584767835.db2.gz ZAOJTTXALRSXCZ-UPJWGTAASA-N 1 3 248.374 1.445 20 0 BDADHO C[C@]1(CN)CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453094 584772653 /nfs/dbraw/zinc/77/26/53/584772653.db2.gz ZBMBXEISQQMUOC-WRWGMCAJSA-N 1 3 244.329 1.948 20 0 BDADHO C[C@]1(CN)CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453094 584772654 /nfs/dbraw/zinc/77/26/54/584772654.db2.gz ZBMBXEISQQMUOC-WRWGMCAJSA-N 1 3 244.329 1.948 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453094 584772655 /nfs/dbraw/zinc/77/26/55/584772655.db2.gz ZBMBXEISQQMUOC-WRWGMCAJSA-N 1 3 244.329 1.948 20 0 BDADHO C(C[C@H]1CCCCO1)[NH2+][C@@H]1CCNC12CCC2 ZINC000903470973 584775279 /nfs/dbraw/zinc/77/52/79/584775279.db2.gz FTVMIIGAJWGEPC-CHWSQXEVSA-N 1 3 238.375 1.820 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1C[C@]12CCOC2 ZINC000903470941 584775320 /nfs/dbraw/zinc/77/53/20/584775320.db2.gz DXZFKHZQLVTVFB-AVGNSLFASA-N 1 3 236.359 1.287 20 0 BDADHO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC12CCC2 ZINC000903470825 584775604 /nfs/dbraw/zinc/77/56/04/584775604.db2.gz DQASAXPLQCYSKG-WOPDTQHZSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000903472929 584775844 /nfs/dbraw/zinc/77/58/44/584775844.db2.gz XDWTWHUTAWVCLC-QJPTWQEYSA-N 1 3 224.348 1.286 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCNC23CCCC3)C1 ZINC000903482155 584778653 /nfs/dbraw/zinc/77/86/53/584778653.db2.gz YNYVCXNOTQRORW-FRRDWIJNSA-N 1 3 238.375 1.676 20 0 BDADHO c1ccc([C@]23C[C@H]2CN(C[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000903491220 584780948 /nfs/dbraw/zinc/78/09/48/584780948.db2.gz ZNSVZSAMKHZJDM-VNQPRFMTSA-N 1 3 242.366 1.869 20 0 BDADHO OCCCN(C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903730458 584792884 /nfs/dbraw/zinc/79/28/84/584792884.db2.gz WMMUVALEQFKUNZ-LBPRGKRZSA-N 1 3 226.364 1.223 20 0 BDADHO CC1CC(C[N@@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000903751067 584795789 /nfs/dbraw/zinc/79/57/89/584795789.db2.gz DJEKCHSBCHYQJQ-RUXDESIVSA-N 1 3 237.391 1.012 20 0 BDADHO CC1CC(C[N@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000903751067 584795790 /nfs/dbraw/zinc/79/57/90/584795790.db2.gz DJEKCHSBCHYQJQ-RUXDESIVSA-N 1 3 237.391 1.012 20 0 BDADHO COC(=O)[C@@H](C)CN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903752912 584796032 /nfs/dbraw/zinc/79/60/32/584796032.db2.gz PZVQODPPLDHYHU-RYUDHWBXSA-N 1 3 242.363 1.117 20 0 BDADHO C([C@@H]1CCCC[NH2+]C1)N1CCC[C@@H]2OCC[C@@H]21 ZINC000903768775 584798250 /nfs/dbraw/zinc/79/82/50/584798250.db2.gz QMKDEAXLJAUIQU-RDBSUJKOSA-N 1 3 238.375 1.629 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903802964 584802211 /nfs/dbraw/zinc/80/22/11/584802211.db2.gz UTSNAZIXXHOKLO-OCCSQVGLSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@@H]2CC[C@]21CN ZINC000903802964 584802212 /nfs/dbraw/zinc/80/22/12/584802212.db2.gz UTSNAZIXXHOKLO-OCCSQVGLSA-N 1 3 248.374 1.166 20 0 BDADHO C=C/C=C\CCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903857861 584810387 /nfs/dbraw/zinc/81/03/87/584810387.db2.gz GCUIXSRGRFDSNN-LDIIPZEWSA-N 1 3 206.333 1.932 20 0 BDADHO [NH3+][C@@H](CC(F)F)CN(CCO)C1CCCC1 ZINC000903872026 584815611 /nfs/dbraw/zinc/81/56/11/584815611.db2.gz AXGYEEOVFUYLLA-VIFPVBQESA-N 1 3 236.306 1.206 20 0 BDADHO CN(C[C@H]([NH3+])CC(F)F)[C@H]1CCN(C2CC2)C1 ZINC000903892910 584818702 /nfs/dbraw/zinc/81/87/02/584818702.db2.gz XZYCQKLZWULGIB-KOLCDFICSA-N 1 3 247.333 1.137 20 0 BDADHO N[C@@H](C[NH2+]Cc1cccc(F)c1)CC(F)F ZINC000903923491 584823546 /nfs/dbraw/zinc/82/35/46/584823546.db2.gz VJOHVENEUCATCQ-SNVBAGLBSA-N 1 3 232.249 1.898 20 0 BDADHO [NH3+][C@H](CNCCc1ccccc1)CC(F)F ZINC000903923557 584823829 /nfs/dbraw/zinc/82/38/29/584823829.db2.gz XASGFAZNEYLYAB-NSHDSACASA-N 1 3 228.286 1.801 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CCN1C ZINC000903937111 584826456 /nfs/dbraw/zinc/82/64/56/584826456.db2.gz BMQJYDUGMDYKAI-WDEREUQCSA-N 1 3 249.349 1.241 20 0 BDADHO C[C@]1(CN2CC[C@@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953383 584831264 /nfs/dbraw/zinc/83/12/64/584831264.db2.gz DQLSGVYUKRAKFJ-RDBSUJKOSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@]1(CN2CC[C@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000903953377 584831408 /nfs/dbraw/zinc/83/14/08/584831408.db2.gz DQLSGVYUKRAKFJ-IHRRRGAJSA-N 1 3 238.375 1.487 20 0 BDADHO COC[C@@H](CC(C)C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967713 584834931 /nfs/dbraw/zinc/83/49/31/584834931.db2.gz LNVCPLAQAVEYSE-FRRDWIJNSA-N 1 3 228.380 1.493 20 0 BDADHO CCN(CCC(=O)OC)C[C@]1(C)CCC[NH2+]C1 ZINC000904313684 584863402 /nfs/dbraw/zinc/86/34/02/584863402.db2.gz XUWLIPSLTWQZPH-CYBMUJFWSA-N 1 3 242.363 1.261 20 0 BDADHO CC[N@H+](CCC(=O)OC)C[C@]1(C)CCCNC1 ZINC000904313684 584863404 /nfs/dbraw/zinc/86/34/04/584863404.db2.gz XUWLIPSLTWQZPH-CYBMUJFWSA-N 1 3 242.363 1.261 20 0 BDADHO CC[N@@H+](CCC(=O)OC)C[C@]1(C)CCCNC1 ZINC000904313684 584863405 /nfs/dbraw/zinc/86/34/05/584863405.db2.gz XUWLIPSLTWQZPH-CYBMUJFWSA-N 1 3 242.363 1.261 20 0 BDADHO CC(C)(C)CN(CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904317931 584863874 /nfs/dbraw/zinc/86/38/74/584863874.db2.gz KATAKBKWFRZCIS-AWEZNQCLSA-N 1 3 242.407 1.717 20 0 BDADHO CC(C)(C)C[N@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904317931 584863875 /nfs/dbraw/zinc/86/38/75/584863875.db2.gz KATAKBKWFRZCIS-AWEZNQCLSA-N 1 3 242.407 1.717 20 0 BDADHO CC(C)(C)C[N@@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904317931 584863876 /nfs/dbraw/zinc/86/38/76/584863876.db2.gz KATAKBKWFRZCIS-AWEZNQCLSA-N 1 3 242.407 1.717 20 0 BDADHO CC(C)(C)CC[C@H]([NH3+])CNC(C)(C)CCO ZINC000904328423 584865534 /nfs/dbraw/zinc/86/55/34/584865534.db2.gz DVVUJIOHHYRVTH-NSHDSACASA-N 1 3 230.396 1.891 20 0 BDADHO C[C@@H]1CN(Cc2ccc(N)nc2)CC[C@H]1C[NH3+] ZINC000904410552 584879143 /nfs/dbraw/zinc/87/91/43/584879143.db2.gz HJZBBNQLASQRGS-PWSUYJOCSA-N 1 3 234.347 1.081 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000904417424 584881618 /nfs/dbraw/zinc/88/16/18/584881618.db2.gz BOSXQUGZEJGJKO-XJFOESAGSA-N 1 3 240.391 1.718 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000904417424 584881619 /nfs/dbraw/zinc/88/16/19/584881619.db2.gz BOSXQUGZEJGJKO-XJFOESAGSA-N 1 3 240.391 1.718 20 0 BDADHO Cc1noc(C)c1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000842471557 584897544 /nfs/dbraw/zinc/89/75/44/584897544.db2.gz ISJZWZVIHGLQND-LBPRGKRZSA-N 1 3 237.347 1.723 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838862562 585075964 /nfs/dbraw/zinc/07/59/64/585075964.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 1 3 226.364 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838862562 585075965 /nfs/dbraw/zinc/07/59/65/585075965.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838862562 585075966 /nfs/dbraw/zinc/07/59/66/585075966.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 1 3 226.364 1.031 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838862562 585075967 /nfs/dbraw/zinc/07/59/67/585075967.db2.gz KTBYRPWAGLWNTA-AAEUAGOBSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886841718 585184153 /nfs/dbraw/zinc/18/41/53/585184153.db2.gz TVQMDUWZBKQYKD-YVECIDJPSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886841718 585184154 /nfs/dbraw/zinc/18/41/54/585184154.db2.gz TVQMDUWZBKQYKD-YVECIDJPSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886841718 585184155 /nfs/dbraw/zinc/18/41/55/585184155.db2.gz TVQMDUWZBKQYKD-YVECIDJPSA-N 1 3 224.348 1.225 20 0 BDADHO CCN1CCN(CC[NH+]2CCCC2)C[C@H]1C ZINC000760886188 585401121 /nfs/dbraw/zinc/40/11/21/585401121.db2.gz MIAKPXKFASBOQW-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCOC2CCC2)[C@@H](C)C1 ZINC000777119719 585708845 /nfs/dbraw/zinc/70/88/45/585708845.db2.gz CQQROETWMFFOTO-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCOC2CCC2)[C@@H](C)C1 ZINC000777119719 585708846 /nfs/dbraw/zinc/70/88/46/585708846.db2.gz CQQROETWMFFOTO-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H](C)CCO ZINC000779342982 585751799 /nfs/dbraw/zinc/75/17/99/585751799.db2.gz QDZYSLIDSADVST-NSHDSACASA-N 1 3 202.342 1.077 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@@H](C)CCO ZINC000779342982 585751800 /nfs/dbraw/zinc/75/18/00/585751800.db2.gz QDZYSLIDSADVST-NSHDSACASA-N 1 3 202.342 1.077 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CCO ZINC000779342982 585751801 /nfs/dbraw/zinc/75/18/01/585751801.db2.gz QDZYSLIDSADVST-NSHDSACASA-N 1 3 202.342 1.077 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779393284 585753134 /nfs/dbraw/zinc/75/31/34/585753134.db2.gz RCYUWICCVGJMTL-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C)C1 ZINC000817888102 586832174 /nfs/dbraw/zinc/83/21/74/586832174.db2.gz APGVWMCURJWDGY-CFVMTHIKSA-N 1 3 247.386 1.239 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CCN(C)C1 ZINC000817888102 586832177 /nfs/dbraw/zinc/83/21/77/586832177.db2.gz APGVWMCURJWDGY-CFVMTHIKSA-N 1 3 247.386 1.239 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)c1ccccc1 ZINC000817892694 586833216 /nfs/dbraw/zinc/83/32/16/586833216.db2.gz BPLFKBFIJJHZJR-YUELXQCFSA-N 1 3 248.370 1.698 20 0 BDADHO Cc1ncc(CCN[C@H](C)C[C@@H](C)[NH3+])s1 ZINC000817915043 586839177 /nfs/dbraw/zinc/83/91/77/586839177.db2.gz GYTRRKALRHHIOW-RKDXNWHRSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1cccnc1 ZINC000817893308 586834074 /nfs/dbraw/zinc/83/40/74/586834074.db2.gz QZUFORTWCCKWSJ-TZMCWYRMSA-N 1 3 249.358 1.438 20 0 BDADHO CS[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000817897160 586834826 /nfs/dbraw/zinc/83/48/26/586834826.db2.gz GJTQOTPHOZWMPD-KXNHARMFSA-N 1 3 228.405 1.858 20 0 BDADHO CSC(C)(C)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000817898220 586835236 /nfs/dbraw/zinc/83/52/36/586835236.db2.gz CIRWURWZUWGVEW-RKDXNWHRSA-N 1 3 202.367 1.597 20 0 BDADHO Cc1cccc([C@H](O)CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000817910546 586838048 /nfs/dbraw/zinc/83/80/48/586838048.db2.gz VUMBNBXUZAIFJW-QLFBSQMISA-N 1 3 248.370 1.745 20 0 BDADHO Cc1cccc([C@H](O)CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000817910551 586838480 /nfs/dbraw/zinc/83/84/80/586838480.db2.gz VUMBNBXUZAIFJW-SOUVJXGZSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H](NCCN1CCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000817912786 586838604 /nfs/dbraw/zinc/83/86/04/586838604.db2.gz IONVZQXFYKGTBY-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](Cc1ccco1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000817913854 586838918 /nfs/dbraw/zinc/83/89/18/586838918.db2.gz NGIDLANOKYUCIU-GARJFASQSA-N 1 3 210.321 1.926 20 0 BDADHO Cc1ncc(CC[NH2+][C@@H]2CCC[C@H]2CN)s1 ZINC000817916395 586839148 /nfs/dbraw/zinc/83/91/48/586839148.db2.gz XYLKDCZSWSOQBU-CMPLNLGQSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncc(CCN[C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000817916395 586839149 /nfs/dbraw/zinc/83/91/49/586839149.db2.gz XYLKDCZSWSOQBU-CMPLNLGQSA-N 1 3 239.388 1.711 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1COC2(CCCC2)O1 ZINC000817917285 586839173 /nfs/dbraw/zinc/83/91/73/586839173.db2.gz ANANEGMRBBFHEV-SRVKXCTJSA-N 1 3 242.363 1.388 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@](C)(O)c1ccsc1 ZINC000817913931 586839668 /nfs/dbraw/zinc/83/96/68/586839668.db2.gz RLZLJWQBOZDVDG-JBLDHEPKSA-N 1 3 242.388 1.671 20 0 BDADHO CC(C)(O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000817925272 586841657 /nfs/dbraw/zinc/84/16/57/586841657.db2.gz UQXNXAZOMHVKTF-ZIAGYGMSSA-N 1 3 248.370 1.883 20 0 BDADHO CN(CC(C)(C)C[NH3+])C(=O)c1cccc(CN)c1 ZINC000818531679 586898561 /nfs/dbraw/zinc/89/85/61/586898561.db2.gz KQFARVDKSQOMLM-UHFFFAOYSA-N 1 3 249.358 1.202 20 0 BDADHO C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820812136 587074075 /nfs/dbraw/zinc/07/40/75/587074075.db2.gz DSJCUEFTXVOCQU-FZMOHWGLSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820812136 587074077 /nfs/dbraw/zinc/07/40/77/587074077.db2.gz DSJCUEFTXVOCQU-FZMOHWGLSA-N 1 3 224.348 1.115 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NCCN1CCC[C@@H]1C ZINC000831971249 587640494 /nfs/dbraw/zinc/64/04/94/587640494.db2.gz UHTVMTQBSFPQAG-WCQYABFASA-N 1 3 241.379 1.104 20 0 BDADHO CCCCCCN(C)CC(=O)NCC(C)(C)[NH3+] ZINC000832796145 587690348 /nfs/dbraw/zinc/69/03/48/587690348.db2.gz AWPJDRNMKHHQKN-UHFFFAOYSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN)c2)CC[NH2+]1 ZINC000834673652 587763553 /nfs/dbraw/zinc/76/35/53/587763553.db2.gz TVBNOFYXGIFXCA-GWCFXTLKSA-N 1 3 247.342 1.016 20 0 BDADHO [NH3+]CCCN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000841007343 587934821 /nfs/dbraw/zinc/93/48/21/587934821.db2.gz PHILTCYFODETEY-LSDHHAIUSA-N 1 3 248.370 1.923 20 0 BDADHO CC[C@@H]1C[C@@H](CNC[C@H]2CCCC[NH2+]2)CCO1 ZINC000841032315 587936986 /nfs/dbraw/zinc/93/69/86/587936986.db2.gz CKGNAYPITSMKOK-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841035643 587937834 /nfs/dbraw/zinc/93/78/34/587937834.db2.gz LLJURNODLDVLSF-VLEAKVRGSA-N 1 3 246.445 1.693 20 0 BDADHO C([NH2+][C@H]1CCNC2(CCC2)C1)[C@@H]1CCCOC1 ZINC000841089276 587945655 /nfs/dbraw/zinc/94/56/55/587945655.db2.gz KPKRPTQIWAVILI-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO CC1(C)NCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000841085443 587945732 /nfs/dbraw/zinc/94/57/32/587945732.db2.gz CLOZOBNDBVYXRN-CYBMUJFWSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+]Cc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000842645848 588048608 /nfs/dbraw/zinc/04/86/08/588048608.db2.gz NBRNBYLXDAOLIE-NSHDSACASA-N 1 3 244.298 1.620 20 0 BDADHO CC[C@H](NCCCCCC[NH3+])c1nccn1C ZINC000843340369 588100475 /nfs/dbraw/zinc/10/04/75/588100475.db2.gz BOQYXYCCMCWUHY-LBPRGKRZSA-N 1 3 238.379 1.980 20 0 BDADHO Cc1cc([C@H](C)NCCCCCC[NH3+])nn1C ZINC000843340659 588100899 /nfs/dbraw/zinc/10/08/99/588100899.db2.gz DCAZRQBEJYLOEK-LBPRGKRZSA-N 1 3 238.379 1.898 20 0 BDADHO C[C@@](CN)([NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC000843355134 588103280 /nfs/dbraw/zinc/10/32/80/588103280.db2.gz CCWRFQBDLSUMIE-LBPRGKRZSA-N 1 3 239.750 1.952 20 0 BDADHO CCCCOC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843365390 588104342 /nfs/dbraw/zinc/10/43/42/588104342.db2.gz GSCUMRDPJQXNLH-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@H](c1cnccn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000843364706 588104606 /nfs/dbraw/zinc/10/46/06/588104606.db2.gz LQAMOQGDKFUIDD-GFCCVEGCSA-N 1 3 246.358 1.613 20 0 BDADHO FCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386046 588105857 /nfs/dbraw/zinc/10/58/57/588105857.db2.gz BISCPNFQVISLMP-NEPJUHHUSA-N 1 3 214.328 1.668 20 0 BDADHO C[C@H]1CCN[C@@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512344 588117901 /nfs/dbraw/zinc/11/79/01/588117901.db2.gz ZFSYNXIZHRMKGS-NWDGAFQWSA-N 1 3 241.379 1.010 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848717267 588407977 /nfs/dbraw/zinc/40/79/77/588407977.db2.gz PUTRIVXEOOFGNB-RBSFLKMASA-N 1 3 248.370 1.888 20 0 BDADHO Cc1cccc([C@H](O)CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000848720492 588408280 /nfs/dbraw/zinc/40/82/80/588408280.db2.gz YRDHRYNJFLANJB-QLFBSQMISA-N 1 3 248.370 1.888 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000848719920 588408285 /nfs/dbraw/zinc/40/82/85/588408285.db2.gz OUPDHIBETOWVNB-IJLUTSLNSA-N 1 3 212.337 1.007 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)c2ccco2)C1 ZINC000848719990 588408345 /nfs/dbraw/zinc/40/83/45/588408345.db2.gz QJIQOFGLEJXJLG-MXWKQRLJSA-N 1 3 224.304 1.173 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)c1ccccc1 ZINC000848719695 588408464 /nfs/dbraw/zinc/40/84/64/588408464.db2.gz CTQMLTMKKZCVFL-MYPMTAMASA-N 1 3 248.370 1.968 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000848719484 588408534 /nfs/dbraw/zinc/40/85/34/588408534.db2.gz GRLYRACWLDKKOF-ZNMIVQPWSA-N 1 3 248.370 1.754 20 0 BDADHO CCCNC(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC000848981148 588423612 /nfs/dbraw/zinc/42/36/12/588423612.db2.gz RXTVNWLEGJMUPX-UHFFFAOYSA-N 1 3 240.395 1.775 20 0 BDADHO CCN(CC)[C@@H](CNC(=[NH2+])NC)CC(C)C ZINC000848984011 588424769 /nfs/dbraw/zinc/42/47/69/588424769.db2.gz CVZIPWCLGUHGTK-LLVKDONJSA-N 1 3 228.384 1.487 20 0 BDADHO CC[C@H](CNC(=[NH2+])N[C@@H](C)CC)N1CCCC1 ZINC000848986460 588425836 /nfs/dbraw/zinc/42/58/36/588425836.db2.gz URXOTZNPAJVYFK-NWDGAFQWSA-N 1 3 240.395 1.773 20 0 BDADHO [NH2+]=C(NCCN1CCCCCC1)NC1CCC1 ZINC000848987678 588426240 /nfs/dbraw/zinc/42/62/40/588426240.db2.gz PLZZIOWWOIVOLE-UHFFFAOYSA-N 1 3 238.379 1.529 20 0 BDADHO CC(C)CNC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004170 588431492 /nfs/dbraw/zinc/43/14/92/588431492.db2.gz DMGNTTDKVOOLON-LLVKDONJSA-N 1 3 226.368 1.098 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004260 588431539 /nfs/dbraw/zinc/43/15/39/588431539.db2.gz JQXRNHFKZYNXCJ-WDEREUQCSA-N 1 3 226.368 1.241 20 0 BDADHO CO[C@@H]1CC[C@@H](N2CCC([NH+](C)C)CC2)C1 ZINC000851726218 588618119 /nfs/dbraw/zinc/61/81/19/588618119.db2.gz NRGIMBQTSYNGJE-CHWSQXEVSA-N 1 3 226.364 1.580 20 0 BDADHO CO[C@@H]1CC[C@H](N2CCC([NH+](C)C)CC2)C1 ZINC000851726220 588618284 /nfs/dbraw/zinc/61/82/84/588618284.db2.gz NRGIMBQTSYNGJE-QWHCGFSZSA-N 1 3 226.364 1.580 20 0 BDADHO CO[C@@H]1CC[C@H](N(C)CCC[NH+]2CCCC2)C1 ZINC000852009087 588654873 /nfs/dbraw/zinc/65/48/73/588654873.db2.gz YCVPPNRWMYRLAV-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO Cn1ccc(CNCc2ccc(CC[NH3+])cc2)c1 ZINC000863642190 589306906 /nfs/dbraw/zinc/30/69/06/589306906.db2.gz VLXTZCHZXUJYMZ-UHFFFAOYSA-N 1 3 243.354 1.816 20 0 BDADHO CC(C)(C)NCCNC(=[NH2+])NCCC1CC1 ZINC000864458543 589368489 /nfs/dbraw/zinc/36/84/89/589368489.db2.gz NHSKANFJGGEUJF-UHFFFAOYSA-N 1 3 226.368 1.289 20 0 BDADHO C[C@H](C1CC1)[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000866585205 589502086 /nfs/dbraw/zinc/50/20/86/589502086.db2.gz VMXNWGORPMTVET-RAIGVLPGSA-N 1 3 208.349 1.811 20 0 BDADHO C[C@H](C1CC1)[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000866585205 589502088 /nfs/dbraw/zinc/50/20/88/589502088.db2.gz VMXNWGORPMTVET-RAIGVLPGSA-N 1 3 208.349 1.811 20 0 BDADHO CN1CC[C@H]2C[N@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703716 589513277 /nfs/dbraw/zinc/51/32/77/589513277.db2.gz KTYGXBKQAHCKKH-DZGCQCFKSA-N 1 3 245.370 1.795 20 0 BDADHO CN1CC[C@H]2C[N@@H+](Cc3cccc(N)c3)CC[C@H]21 ZINC000866703716 589513279 /nfs/dbraw/zinc/51/32/79/589513279.db2.gz KTYGXBKQAHCKKH-DZGCQCFKSA-N 1 3 245.370 1.795 20 0 BDADHO CCOCC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866703628 589513774 /nfs/dbraw/zinc/51/37/74/589513774.db2.gz MWWAEGUNYCVKCP-ZDUSSCGKSA-N 1 3 228.380 1.720 20 0 BDADHO CCOCC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866703628 589513776 /nfs/dbraw/zinc/51/37/76/589513776.db2.gz MWWAEGUNYCVKCP-ZDUSSCGKSA-N 1 3 228.380 1.720 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988210 589707115 /nfs/dbraw/zinc/70/71/15/589707115.db2.gz JAIWMJXNUQNTSW-GWCFXTLKSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H]1CN(C[C@H]2CC3(CCC3)CO2)C[C@H]1C[NH3+] ZINC000872145580 589884121 /nfs/dbraw/zinc/88/41/21/589884121.db2.gz UTNRMSAUQWWAJN-JHJVBQTASA-N 1 3 238.375 1.472 20 0 BDADHO CN(CCCCCC[NH3+])Cc1ccnc(N)c1 ZINC000872155078 589886436 /nfs/dbraw/zinc/88/64/36/589886436.db2.gz BTYBGKVMIIABSZ-UHFFFAOYSA-N 1 3 236.363 1.615 20 0 BDADHO CN(C)CCN(C)c1cc[nH+]cc1C1CC1 ZINC000872471406 589942258 /nfs/dbraw/zinc/94/22/58/589942258.db2.gz OZMKRTVJEHHJRB-UHFFFAOYSA-N 1 3 219.332 1.957 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)NCc1cc2c(s1)CCNC2 ZINC000873213437 589997532 /nfs/dbraw/zinc/99/75/32/589997532.db2.gz ZMOODAGUKLPHQY-RKDXNWHRSA-N 1 3 239.388 1.219 20 0 BDADHO CC(C)C[C@H]([NH3+])CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873218050 589999072 /nfs/dbraw/zinc/99/90/72/589999072.db2.gz XVPFTYOBFVHPPM-VZKILSJISA-N 1 3 238.375 1.373 20 0 BDADHO CC1(C)CC[C@@H](CNC2CCC(O)CC2)[NH2+]C1 ZINC000873234240 590004056 /nfs/dbraw/zinc/00/40/56/590004056.db2.gz DBUCDVAEPJRJLJ-CPCZMJQVSA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)CC[C@H](CNC2CCC(O)CC2)[NH2+]C1 ZINC000873234242 590004373 /nfs/dbraw/zinc/00/43/73/590004373.db2.gz DBUCDVAEPJRJLJ-OTTFEQOBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000873239061 590005054 /nfs/dbraw/zinc/00/50/54/590005054.db2.gz MZQOGNPKKOLENL-XWLWVQCSSA-N 1 3 202.317 1.983 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239620 590005741 /nfs/dbraw/zinc/00/57/41/590005741.db2.gz ZEQKNGMYUISLOH-WRWGMCAJSA-N 1 3 214.328 1.984 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873250664 590008706 /nfs/dbraw/zinc/00/87/06/590008706.db2.gz IKWWDNKJBKHMBP-KKZNHRDASA-N 1 3 223.295 1.609 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCOCC1 ZINC000873252924 590009095 /nfs/dbraw/zinc/00/90/95/590009095.db2.gz SNLLAPXVUIPTFQ-IMIFBBOLSA-N 1 3 240.391 1.765 20 0 BDADHO Cc1nccnc1[C@H](C)N[C@@H](C)C1CC[NH2+]CC1 ZINC000873271184 590015949 /nfs/dbraw/zinc/01/59/49/590015949.db2.gz FVDZGDZHSUEWPZ-JQWIXIFHSA-N 1 3 248.374 1.824 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873281200 590018255 /nfs/dbraw/zinc/01/82/55/590018255.db2.gz HBNJYUIGONKYPF-HTVCTNPSSA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000873281599 590018520 /nfs/dbraw/zinc/01/85/20/590018520.db2.gz MLOHZWJUMMRLLR-NDKCEZKHSA-N 1 3 238.375 1.804 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCOC2=O)C1 ZINC000873283627 590019605 /nfs/dbraw/zinc/01/96/05/590019605.db2.gz YKYPPBXFFLCUBB-UTUOFQBUSA-N 1 3 240.347 1.189 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1cc(N)cc(F)c1 ZINC000873291551 590022893 /nfs/dbraw/zinc/02/28/93/590022893.db2.gz XDHUCYNGWIJOIO-BDAKNGLRSA-N 1 3 225.311 1.623 20 0 BDADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297278 590025092 /nfs/dbraw/zinc/02/50/92/590025092.db2.gz VNRIMTPNQFWOBJ-IRUJWGPZSA-N 1 3 249.358 1.270 20 0 BDADHO CCCCCCN(C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103497 590283704 /nfs/dbraw/zinc/28/37/04/590283704.db2.gz VSZJNNLVUBBCJR-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000127305448 590617017 /nfs/dbraw/zinc/61/70/17/590617017.db2.gz XLVXGWUHFDDXOW-IVZWLZJFSA-N 1 3 202.367 1.455 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574274 590812239 /nfs/dbraw/zinc/81/22/39/590812239.db2.gz YWKIONMQJYZVGP-VXGBXAGGSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574274 590812243 /nfs/dbraw/zinc/81/22/43/590812243.db2.gz YWKIONMQJYZVGP-VXGBXAGGSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880142969 590943771 /nfs/dbraw/zinc/94/37/71/590943771.db2.gz WYABWXQEBJVFQF-MCIONIFRSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880142969 590943774 /nfs/dbraw/zinc/94/37/74/590943774.db2.gz WYABWXQEBJVFQF-MCIONIFRSA-N 1 3 237.391 1.249 20 0 BDADHO C(CN1CCCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000129177587 591266844 /nfs/dbraw/zinc/26/68/44/591266844.db2.gz SLSBVNJCKTZJDB-AWEZNQCLSA-N 1 3 239.407 1.594 20 0 BDADHO CCN1C[C@@H](C)N(C[C@@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000883430729 591661647 /nfs/dbraw/zinc/66/16/47/591661647.db2.gz AZWYRQXLRGTNNR-NDBYEHHHSA-N 1 3 243.370 1.101 20 0 BDADHO CCCCOC(=O)CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000883442857 591670038 /nfs/dbraw/zinc/67/00/38/591670038.db2.gz UOMCBEDNSDWBKQ-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO CCCCOC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000883442857 591670039 /nfs/dbraw/zinc/67/00/39/591670039.db2.gz UOMCBEDNSDWBKQ-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCN2CCCC2)c2ccccc21 ZINC000131930629 591678261 /nfs/dbraw/zinc/67/82/61/591678261.db2.gz GDKGRTVFQLJSDF-GJZGRUSLSA-N 1 3 245.370 1.817 20 0 BDADHO N[C@H](CC1CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000884253334 591885222 /nfs/dbraw/zinc/88/52/22/591885222.db2.gz HKLPELALOAIHRS-GFCCVEGCSA-N 1 3 233.315 1.211 20 0 BDADHO c1n[nH]cc1CCN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876194 592378917 /nfs/dbraw/zinc/37/89/17/592378917.db2.gz WBTJPNTUAMUXRG-CQSZACIVSA-N 1 3 248.374 1.418 20 0 BDADHO COCCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130300 592448390 /nfs/dbraw/zinc/44/83/90/592448390.db2.gz BBMVVXDMCFSACK-ZDUSSCGKSA-N 1 3 249.358 1.629 20 0 BDADHO COC[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132863 592448829 /nfs/dbraw/zinc/44/88/29/592448829.db2.gz OTEFBLZVQZEAIV-STQMWFEESA-N 1 3 249.358 1.627 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300239268 592505270 /nfs/dbraw/zinc/50/52/70/592505270.db2.gz RSUHEZZYLHZUQD-RDBSUJKOSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300239268 592505273 /nfs/dbraw/zinc/50/52/73/592505273.db2.gz RSUHEZZYLHZUQD-RDBSUJKOSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCNC23CCC3)CCO1 ZINC000925706120 634388890 /nfs/dbraw/zinc/38/88/90/634388890.db2.gz LSJOFJHMOBMHSR-JHJVBQTASA-N 1 3 238.375 1.818 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H](O)CC2CCCC2)C1 ZINC000299995819 634403824 /nfs/dbraw/zinc/40/38/24/634403824.db2.gz MTADJXULERDSCG-QWHCGFSZSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@@H](O)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925710086 634407577 /nfs/dbraw/zinc/40/75/77/634407577.db2.gz PYZSHYKFKBQSEA-WISYIIOYSA-N 1 3 226.364 1.124 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925710086 634407584 /nfs/dbraw/zinc/40/75/84/634407584.db2.gz PYZSHYKFKBQSEA-WISYIIOYSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCO1 ZINC000925839865 635504675 /nfs/dbraw/zinc/50/46/75/635504675.db2.gz FCRAHJDAGJOHFG-REWJHTLYSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCO1 ZINC000925839866 635505186 /nfs/dbraw/zinc/50/51/86/635505186.db2.gz FCRAHJDAGJOHFG-XJFOESAGSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309060178 631834623 /nfs/dbraw/zinc/83/46/23/631834623.db2.gz XIZFDLMKCJJTLR-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000052046943 632055146 /nfs/dbraw/zinc/05/51/46/632055146.db2.gz ZOGFOPJYMOSLNC-GFCCVEGCSA-N 1 3 238.379 1.527 20 0 BDADHO CC[C@H](O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412629 635709858 /nfs/dbraw/zinc/70/98/58/635709858.db2.gz AEQRISFKGSMSQF-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO NCC(C[NH3+])NCc1ccc(Cl)cc1Cl ZINC000309551911 632481969 /nfs/dbraw/zinc/48/19/69/632481969.db2.gz KSGKKLDZAKTZJY-UHFFFAOYSA-N 1 3 248.157 1.369 20 0 BDADHO C[C@H](N(C)C[C@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983081 632689857 /nfs/dbraw/zinc/68/98/57/632689857.db2.gz GJRNJCBDBJNOBE-STQMWFEESA-N 1 3 240.391 1.564 20 0 BDADHO Cc1ccc(O)c(CN2CCCC[C@H]2CC[NH3+])n1 ZINC000091996151 632775534 /nfs/dbraw/zinc/77/55/34/632775534.db2.gz ITMUOURLWMJEIM-LBPRGKRZSA-N 1 3 249.358 1.799 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(C)CC1(F)F ZINC000926702424 632839438 /nfs/dbraw/zinc/83/94/38/632839438.db2.gz BVOVTYGAHFJVQP-AYLPWXGPSA-N 1 3 244.329 1.962 20 0 BDADHO CCNC(NC[C@@H](CC)N1CCCC1)=[NH+]CC ZINC000066245277 632860746 /nfs/dbraw/zinc/86/07/46/632860746.db2.gz AUQFNIJFTHLWRX-GFCCVEGCSA-N 1 3 240.395 1.436 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC=CC1 ZINC000926746090 632946781 /nfs/dbraw/zinc/94/67/81/632946781.db2.gz UJIBROPRFUQNMV-PBWFPOADSA-N 1 3 220.360 1.882 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000309371644 632986762 /nfs/dbraw/zinc/98/67/62/632986762.db2.gz POEMHOXNCQWNIT-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[N@H+](C[C@@]2(C)CCCNC2)C[C@H]1C ZINC000219844611 633847703 /nfs/dbraw/zinc/84/77/03/633847703.db2.gz WHTVMMTVUIIJGB-XQQFMLRXSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1C[N@@H+](C[C@@]2(C)CCCNC2)C[C@H]1C ZINC000219844611 633847706 /nfs/dbraw/zinc/84/77/06/633847706.db2.gz WHTVMMTVUIIJGB-XQQFMLRXSA-N 1 3 210.365 1.964 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1(O)CCC1 ZINC000925608596 634143659 /nfs/dbraw/zinc/14/36/59/634143659.db2.gz FUZSBFGJKYOAAK-WOPDTQHZSA-N 1 3 238.375 1.268 20 0 BDADHO CC1(C)[C@@H](NCC2(O)CCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925608596 634143664 /nfs/dbraw/zinc/14/36/64/634143664.db2.gz FUZSBFGJKYOAAK-WOPDTQHZSA-N 1 3 238.375 1.268 20 0 BDADHO C[C@H](CCO)[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925611578 634150736 /nfs/dbraw/zinc/15/07/36/634150736.db2.gz MZEUQAYLEZGANK-XBFCOCLRSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H]1OCC[C@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676274 634262621 /nfs/dbraw/zinc/26/26/21/634262621.db2.gz ZMQBPGZKHSTARZ-CHWFTXMASA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925676274 634262627 /nfs/dbraw/zinc/26/26/27/634262627.db2.gz ZMQBPGZKHSTARZ-CHWFTXMASA-N 1 3 210.321 1.023 20 0 BDADHO COCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000925688100 634305339 /nfs/dbraw/zinc/30/53/39/634305339.db2.gz BOGFDOQPZZXFSD-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(C)CCC[C@H](CN[C@H]2C[NH2+]CCOC2)C1 ZINC000925692972 634329998 /nfs/dbraw/zinc/32/99/98/634329998.db2.gz PZGWJIPUMIPUPK-STQMWFEESA-N 1 3 240.391 1.781 20 0 BDADHO O[C@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925694635 634334757 /nfs/dbraw/zinc/33/47/57/634334757.db2.gz VPEGXWCPKQYKIJ-CRWXNKLISA-N 1 3 238.375 1.268 20 0 BDADHO O[C@H]1C[C@@H]([NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925694635 634334761 /nfs/dbraw/zinc/33/47/61/634334761.db2.gz VPEGXWCPKQYKIJ-CRWXNKLISA-N 1 3 238.375 1.268 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925701439 634374963 /nfs/dbraw/zinc/37/49/63/634374963.db2.gz ZMGAMRMLHGZKHK-MROQNXINSA-N 1 3 226.364 1.389 20 0 BDADHO CCC[C@H](O)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000925856225 635546768 /nfs/dbraw/zinc/54/67/68/635546768.db2.gz JPUIMLILGKTPPC-AXFHLTTASA-N 1 3 200.326 1.007 20 0 BDADHO CN1CCN(C[C@]2(C)CCC[NH2+]C2)CC1(C)C ZINC000110763020 636885629 /nfs/dbraw/zinc/88/56/29/636885629.db2.gz GVBGARBNMHKLAE-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO [O-]c1cncc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000904434733 637402385 /nfs/dbraw/zinc/40/23/85/637402385.db2.gz YIWYYNSNPWBEKR-RWMBFGLXSA-N 1 3 247.342 1.265 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CNCC2(C)C)CCO1 ZINC000904461274 637404810 /nfs/dbraw/zinc/40/48/10/637404810.db2.gz GXTNVEQTAQBBFQ-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC000906517337 638187231 /nfs/dbraw/zinc/18/72/31/638187231.db2.gz NDEVMAFQERYNKY-BJDJZHNGSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911817786 639849844 /nfs/dbraw/zinc/84/98/44/639849844.db2.gz GVPKDWSURZIKSO-QJPTWQEYSA-N 1 3 243.395 1.240 20 0 BDADHO C[C@@H](C1CC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931066266 640054352 /nfs/dbraw/zinc/05/43/52/640054352.db2.gz HRZIVFZWHHXMNQ-SMDDNHRTSA-N 1 3 238.375 1.316 20 0 BDADHO C[C@@H](C1CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931066266 640054355 /nfs/dbraw/zinc/05/43/55/640054355.db2.gz HRZIVFZWHHXMNQ-SMDDNHRTSA-N 1 3 238.375 1.316 20 0 BDADHO CO[C@H](C)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310806 640147273 /nfs/dbraw/zinc/14/72/73/640147273.db2.gz HZQMRELEFHCWEG-AGIUHOORSA-N 1 3 226.364 1.295 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCCN2C)CCO1 ZINC000932348976 640491871 /nfs/dbraw/zinc/49/18/71/640491871.db2.gz CWLZMKAEWZITGZ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCCN2C)CCO1 ZINC000932348976 640491878 /nfs/dbraw/zinc/49/18/78/640491878.db2.gz CWLZMKAEWZITGZ-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@H](CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933734478 640761517 /nfs/dbraw/zinc/76/15/17/640761517.db2.gz TZTNIYBNPTYWQI-YNEHKIRRSA-N 1 3 226.364 1.295 20 0 BDADHO CC[C@H](CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933734478 640761522 /nfs/dbraw/zinc/76/15/22/640761522.db2.gz TZTNIYBNPTYWQI-YNEHKIRRSA-N 1 3 226.364 1.295 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@@H](O)CC2CCCC2)C1 ZINC000232148466 641250387 /nfs/dbraw/zinc/25/03/87/641250387.db2.gz SZVOCQACKZHWRI-KBPBESRZSA-N 1 3 240.391 1.469 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1ccc2c(c1)OCO2 ZINC000089147687 641465976 /nfs/dbraw/zinc/46/59/76/641465976.db2.gz FQPSMIOJWBMNRX-RYUDHWBXSA-N 1 3 248.326 1.632 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1ccc2c(c1)OCO2 ZINC000089147684 641466385 /nfs/dbraw/zinc/46/63/85/641466385.db2.gz FQPSMIOJWBMNRX-VXGBXAGGSA-N 1 3 248.326 1.632 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2COCC2(C)C)C1 ZINC000313009962 641525404 /nfs/dbraw/zinc/52/54/04/641525404.db2.gz SZRFUBPNDZCFPW-QWHCGFSZSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2COCC2(C)C)C1 ZINC000313009962 641525411 /nfs/dbraw/zinc/52/54/11/641525411.db2.gz SZRFUBPNDZCFPW-QWHCGFSZSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2COCC2(C)C)C1 ZINC000313009962 641525417 /nfs/dbraw/zinc/52/54/17/641525417.db2.gz SZRFUBPNDZCFPW-QWHCGFSZSA-N 1 3 240.391 1.731 20 0 BDADHO CC1(C[NH2+][C@@H]2CCC[C@H]2CN)CCOCC1 ZINC000233023256 642643450 /nfs/dbraw/zinc/64/34/50/642643450.db2.gz LTGBCOGHUGUHTB-NWDGAFQWSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3n[nH]cc32)CC[N@@H+]1C ZINC000353531794 642865020 /nfs/dbraw/zinc/86/50/20/642865020.db2.gz PHRBHXYJADSJAN-MDZLAQPJSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCCc3n[nH]cc32)CC[N@H+]1C ZINC000353531794 642865023 /nfs/dbraw/zinc/86/50/23/642865023.db2.gz PHRBHXYJADSJAN-MDZLAQPJSA-N 1 3 248.374 1.859 20 0 BDADHO [NH3+]CC[C@H]1CCCCN1C[C@@H](O)c1ccccc1 ZINC000070149745 642980180 /nfs/dbraw/zinc/98/01/80/642980180.db2.gz CMHMUPBKLNAGEE-HUUCEWRRSA-N 1 3 248.370 1.923 20 0 BDADHO C[C@@H]1CCN(CCOc2ccccc2)C[C@H]1C[NH3+] ZINC000253207291 643184440 /nfs/dbraw/zinc/18/44/40/643184440.db2.gz HCKZWULLMOEZIX-ZIAGYGMSSA-N 1 3 248.370 1.982 20 0 BDADHO [NH3+]C1CCC(NCc2nccs2)CC1 ZINC000082493688 643327145 /nfs/dbraw/zinc/32/71/45/643327145.db2.gz XZRIEBHWEHRAKL-UHFFFAOYSA-N 1 3 211.334 1.503 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000084217115 643649892 /nfs/dbraw/zinc/64/98/92/643649892.db2.gz WEOMTNRBDDMMPF-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084217113 643650989 /nfs/dbraw/zinc/65/09/89/643650989.db2.gz WEOMTNRBDDMMPF-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000050268396 643671678 /nfs/dbraw/zinc/67/16/78/643671678.db2.gz WWNBESDDZQMXLS-IHRRRGAJSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000050268396 643671681 /nfs/dbraw/zinc/67/16/81/643671681.db2.gz WWNBESDDZQMXLS-IHRRRGAJSA-N 1 3 236.359 1.896 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000230220132 643767004 /nfs/dbraw/zinc/76/70/04/643767004.db2.gz MKMJGPIGIBHCDQ-NWDGAFQWSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C[C@@H]1CN ZINC000253236311 643816564 /nfs/dbraw/zinc/81/65/64/643816564.db2.gz NPILWZJRIFCJCP-FRRDWIJNSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C[C@@H]1CN ZINC000253236311 643816568 /nfs/dbraw/zinc/81/65/68/643816568.db2.gz NPILWZJRIFCJCP-FRRDWIJNSA-N 1 3 226.364 1.472 20 0 BDADHO CCCCCC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923281918 644314178 /nfs/dbraw/zinc/31/41/78/644314178.db2.gz JJEZVCWWSNXJMG-UONOGXRCSA-N 1 3 242.407 1.988 20 0 BDADHO Cc1ccc([C@@H](O)CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000923281729 644315123 /nfs/dbraw/zinc/31/51/23/644315123.db2.gz ROZCHHSNIZDBPV-HIFRSBDPSA-N 1 3 248.370 1.699 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923280903 644315960 /nfs/dbraw/zinc/31/59/60/644315960.db2.gz JTCQATBAZRIOBN-NEPJUHHUSA-N 1 3 214.353 1.064 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923287388 644321464 /nfs/dbraw/zinc/32/14/64/644321464.db2.gz DROOUVPBZRZJJV-FRRDWIJNSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)c1ccccc1 ZINC000923299932 644325539 /nfs/dbraw/zinc/32/55/39/644325539.db2.gz JNCWCBISTPBOHT-ZIAGYGMSSA-N 1 3 236.359 1.683 20 0 BDADHO CC(C)OCC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294523 644333372 /nfs/dbraw/zinc/33/33/72/644333372.db2.gz MWYYCRJPWFTPOW-LBPRGKRZSA-N 1 3 246.395 1.079 20 0 BDADHO CCOCC[C@@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000923296257 644335224 /nfs/dbraw/zinc/33/52/24/644335224.db2.gz DPGSWWHIONYWAR-OLZOCXBDSA-N 1 3 246.395 1.079 20 0 BDADHO NCC(C[NH3+])N[C@@H]1CCCc2ccc(F)cc21 ZINC000923359132 644372802 /nfs/dbraw/zinc/37/28/02/644372802.db2.gz MJUJGGVNSBSTRN-CYBMUJFWSA-N 1 3 237.322 1.079 20 0 BDADHO CCOCCOCCN[C@@H](C[NH3+])C(C)(C)C ZINC000923366968 644377115 /nfs/dbraw/zinc/37/71/15/644377115.db2.gz BRHBKGDLWTZIKB-NSHDSACASA-N 1 3 232.368 1.003 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H](O)CC1CCCC1 ZINC000923370714 644382344 /nfs/dbraw/zinc/38/23/44/644382344.db2.gz QJWFYNSOLVJKJP-CHWSQXEVSA-N 1 3 242.407 1.891 20 0 BDADHO CC(C)CC[C@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923381525 644393993 /nfs/dbraw/zinc/39/39/93/644393993.db2.gz JFIGQVLHDLMKNW-YNEHKIRRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923415890 644410035 /nfs/dbraw/zinc/41/00/35/644410035.db2.gz SDVPVGZCWWXWIN-JQWIXIFHSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923415890 644410037 /nfs/dbraw/zinc/41/00/37/644410037.db2.gz SDVPVGZCWWXWIN-JQWIXIFHSA-N 1 3 214.353 1.064 20 0 BDADHO Cc1ccc([C@H](O)CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000923413186 644416730 /nfs/dbraw/zinc/41/67/30/644416730.db2.gz UPKBSCVMWONHMW-AEGPPILISA-N 1 3 248.370 1.555 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000923426029 644419583 /nfs/dbraw/zinc/41/95/83/644419583.db2.gz BKZVXUPJCLADLO-JSGCOSHPSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000923426029 644419584 /nfs/dbraw/zinc/41/95/84/644419584.db2.gz BKZVXUPJCLADLO-JSGCOSHPSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000923426029 644419585 /nfs/dbraw/zinc/41/95/85/644419585.db2.gz BKZVXUPJCLADLO-JSGCOSHPSA-N 1 3 238.375 1.629 20 0 BDADHO Cc1cc(C)cc(CN2CCNCC[NH2+]CC2)c1 ZINC000923465895 644443591 /nfs/dbraw/zinc/44/35/91/644443591.db2.gz GCWYCXHCPHQGDV-UHFFFAOYSA-N 1 3 247.386 1.298 20 0 BDADHO C[C@H](c1cnccn1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923492300 644467190 /nfs/dbraw/zinc/46/71/90/644467190.db2.gz BMMOFGAZBAJHCY-UTUOFQBUSA-N 1 3 234.347 1.454 20 0 BDADHO Cc1c[nH]nc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923493716 644470279 /nfs/dbraw/zinc/47/02/79/644470279.db2.gz UMCLZBBCHLTLFW-GHMZBOCLSA-N 1 3 222.336 1.135 20 0 BDADHO Cc1cc(CN2CC[C@H](C[NH3+])[C@H](C)C2)on1 ZINC000923499553 644472480 /nfs/dbraw/zinc/47/24/80/644472480.db2.gz SNCJDJOIQJKOHV-MWLCHTKSSA-N 1 3 223.320 1.400 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923531097 644488601 /nfs/dbraw/zinc/48/86/01/644488601.db2.gz PBENCFQMKDWYFP-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923531097 644488606 /nfs/dbraw/zinc/48/86/06/644488606.db2.gz PBENCFQMKDWYFP-MELADBBJSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)[C@@H]1CCCO1 ZINC000251211278 644796996 /nfs/dbraw/zinc/79/69/96/644796996.db2.gz MLUAIXUIPBFLDD-NDBYEHHHSA-N 1 3 226.364 1.674 20 0 BDADHO CN(C[C@H]1CCCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000223729244 645902132 /nfs/dbraw/zinc/90/21/32/645902132.db2.gz KBAPCZLUZXITHJ-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CCCN[C@@H]1C ZINC000925482924 645909523 /nfs/dbraw/zinc/90/95/23/645909523.db2.gz OWYPPQFXHQHKFM-BPLDGKMQSA-N 1 3 248.370 1.759 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)C(C)(C)CO ZINC000924524525 646046682 /nfs/dbraw/zinc/04/66/82/646046682.db2.gz CUYCBCFGOKTNQE-LBPRGKRZSA-N 1 3 230.396 1.715 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccnnc1 ZINC000924648595 646087089 /nfs/dbraw/zinc/08/70/89/646087089.db2.gz MFVAUZWVLVHGHH-NEPJUHHUSA-N 1 3 246.358 1.612 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCCOC1 ZINC000924726212 646098485 /nfs/dbraw/zinc/09/84/85/646098485.db2.gz LUBKZDNNMLBDTD-HABKJSAYSA-N 1 3 238.375 1.343 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924755827 646102878 /nfs/dbraw/zinc/10/28/78/646102878.db2.gz XKCSKRVWFZTUCZ-CHWSQXEVSA-N 1 3 242.407 1.715 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC1CC1 ZINC000925480582 646293329 /nfs/dbraw/zinc/29/33/29/646293329.db2.gz MPZXAAWZAOXGIW-FUNVUKJBSA-N 1 3 208.349 1.716 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)CC1 ZINC000925491851 646298813 /nfs/dbraw/zinc/29/88/13/646298813.db2.gz WFFBFPSFEGFKTB-FOSCPWQOSA-N 1 3 208.349 1.716 20 0 BDADHO CCN1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925510340 646308736 /nfs/dbraw/zinc/30/87/36/646308736.db2.gz UZNVRUWGBQKIGY-STQMWFEESA-N 1 3 237.391 1.345 20 0 BDADHO CC[C@@H]1CCC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925524179 646314506 /nfs/dbraw/zinc/31/45/06/646314506.db2.gz YDGPWSMVFZUXAK-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H](CCCO)[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925553485 646331769 /nfs/dbraw/zinc/33/17/69/646331769.db2.gz SQVBIQNSRWYNDJ-RNJOBUHISA-N 1 3 240.391 1.514 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925573822 646341608 /nfs/dbraw/zinc/34/16/08/646341608.db2.gz PXPXKNBLAQPMIG-CHWSQXEVSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000925678923 646407028 /nfs/dbraw/zinc/40/70/28/646407028.db2.gz AWWZANVYOIMZMF-LZHGVHGASA-N 1 3 206.333 1.371 20 0 BDADHO C[C@H]1CC(CN[C@@H]2C[NH2+]CCOC2)C[C@H](C)C1 ZINC000925709550 646435194 /nfs/dbraw/zinc/43/51/94/646435194.db2.gz VDKDAGGMUPUALL-YRGRVCCFSA-N 1 3 240.391 1.637 20 0 BDADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2ccc[nH]c2=O)C1 ZINC000925720681 646446994 /nfs/dbraw/zinc/44/69/94/646446994.db2.gz ZTIBVDRGPXSFDA-RYUDHWBXSA-N 1 3 249.358 1.783 20 0 BDADHO C[C@@H](NCCC(C)(C)[NH3+])c1cnccc1N ZINC000925737366 646461057 /nfs/dbraw/zinc/46/10/57/646461057.db2.gz NKLBITFVIHEWQO-SECBINFHSA-N 1 3 222.336 1.272 20 0 BDADHO CC1(C)C[C@@H]([NH3+])C[C@H](NCc2cc(N)ccn2)C1 ZINC000925768095 646468208 /nfs/dbraw/zinc/46/82/08/646468208.db2.gz SKFHIQPGRJKLOY-RYUDHWBXSA-N 1 3 248.374 1.659 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cc(N)ccn1 ZINC000925768789 646468405 /nfs/dbraw/zinc/46/84/05/646468405.db2.gz XFGKMGSQEMDTBW-GXFFZTMASA-N 1 3 234.347 1.142 20 0 BDADHO C(N[C@H]1CCC[NH2+]CC1)[C@H]1CC2(CCC2)CO1 ZINC000925772147 646469532 /nfs/dbraw/zinc/46/95/32/646469532.db2.gz GEPNJLQPKXFEEW-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829071 646500046 /nfs/dbraw/zinc/50/00/46/646500046.db2.gz AUOCEYZAJOOUKP-PDWCTOEPSA-N 1 3 236.359 1.295 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CCC1 ZINC000926142016 646583351 /nfs/dbraw/zinc/58/33/51/646583351.db2.gz HRGYZYGJWGGCNN-FUNVUKJBSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)CN(C)C ZINC000926472589 646651662 /nfs/dbraw/zinc/65/16/62/646651662.db2.gz KUPUODIMCMEJFZ-NDBYEHHHSA-N 1 3 228.380 1.445 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CN)C2)C1 ZINC000721918351 711919675 /nfs/dbraw/zinc/91/96/75/711919675.db2.gz FIBPLKIQCZDVDB-SDDRHHMPSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](CN)C2)C1 ZINC000721918351 711919676 /nfs/dbraw/zinc/91/96/76/711919676.db2.gz FIBPLKIQCZDVDB-SDDRHHMPSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCCC[C@H]2CCN)C1 ZINC000721926344 711937668 /nfs/dbraw/zinc/93/76/68/711937668.db2.gz DUSNMVFBTZVMPV-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCCC[C@H]2CCN)C1 ZINC000721926344 711937670 /nfs/dbraw/zinc/93/76/70/711937670.db2.gz DUSNMVFBTZVMPV-RWMBFGLXSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)C1 ZINC000721959070 711948152 /nfs/dbraw/zinc/94/81/52/711948152.db2.gz DVWSGUXTMKOSGO-ZUWCUPBKSA-N 1 3 240.391 1.717 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2C[C@H](CN)[C@@H](C)C[C@H]2C)C1 ZINC000721959070 711948153 /nfs/dbraw/zinc/94/81/53/711948153.db2.gz DVWSGUXTMKOSGO-ZUWCUPBKSA-N 1 3 240.391 1.717 20 0 BDADHO COC1CC(C[N@@H+]2CC[C@H](C)[C@H](CN)C2)C1 ZINC000703855591 712091044 /nfs/dbraw/zinc/09/10/44/712091044.db2.gz VQDLSSMZUJPJGR-GMKTYKIGSA-N 1 3 226.364 1.328 20 0 BDADHO COC1CC(C[N@H+]2CC[C@H](C)[C@H](CN)C2)C1 ZINC000703855591 712091047 /nfs/dbraw/zinc/09/10/47/712091047.db2.gz VQDLSSMZUJPJGR-GMKTYKIGSA-N 1 3 226.364 1.328 20 0 BDADHO CC(C)[C@H]1CN(CCCCCC[NH3+])CCO1 ZINC000708949959 712203612 /nfs/dbraw/zinc/20/36/12/712203612.db2.gz FJHCQUONPSERIT-CYBMUJFWSA-N 1 3 228.380 1.862 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccns1 ZINC000710026099 712242391 /nfs/dbraw/zinc/24/23/91/712242391.db2.gz JEXFXYVRERKHCZ-GXSJLCMTSA-N 1 3 225.361 1.403 20 0 BDADHO Cc1coc(CNCC2(O)CC[NH+](C)CC2)c1 ZINC000718134637 712747570 /nfs/dbraw/zinc/74/75/70/712747570.db2.gz ZSRVNGMEHRFTKQ-UHFFFAOYSA-N 1 3 238.331 1.134 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](C)[C@@H]2CCN)C1 ZINC000721962813 710694194 /nfs/dbraw/zinc/69/41/94/710694194.db2.gz OTXNXOXRTOGFQK-FQUUOJAGSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](C)[C@@H]2CCN)C1 ZINC000721962813 710694198 /nfs/dbraw/zinc/69/41/98/710694198.db2.gz OTXNXOXRTOGFQK-FQUUOJAGSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)C1 ZINC000721962818 710694590 /nfs/dbraw/zinc/69/45/90/710694590.db2.gz OTXNXOXRTOGFQK-MQYQWHSLSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)C1 ZINC000721962818 710694591 /nfs/dbraw/zinc/69/45/91/710694591.db2.gz OTXNXOXRTOGFQK-MQYQWHSLSA-N 1 3 240.391 1.861 20 0 BDADHO CC(C)OC[C@@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000133513214 710970482 /nfs/dbraw/zinc/97/04/82/710970482.db2.gz COQROLKSQMNNLO-QWHCGFSZSA-N 1 3 246.395 1.078 20 0 BDADHO CC[C@@H]1C[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000387782531 711047178 /nfs/dbraw/zinc/04/71/78/711047178.db2.gz DPWJFKOLPHFGTK-BWALOOPLSA-N 1 3 220.360 1.619 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000396617148 711360952 /nfs/dbraw/zinc/36/09/52/711360952.db2.gz GOEMCWGMKJEPPW-FPMFFAJLSA-N 1 3 234.343 1.450 20 0 BDADHO CSCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396545382 711353845 /nfs/dbraw/zinc/35/38/45/711353845.db2.gz DPPICZYYTSIWLM-NXEZZACHSA-N 1 3 202.367 1.470 20 0 BDADHO CC1CCN(CCN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000396602877 711359216 /nfs/dbraw/zinc/35/92/16/711359216.db2.gz NYNLALBWAKTKMN-KGLIPLIRSA-N 1 3 239.407 1.448 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCCCCN1)C1CC1 ZINC000398144689 711403089 /nfs/dbraw/zinc/40/30/89/711403089.db2.gz XGAVMIMGVPEBHL-QWHCGFSZSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH2+]C1CCN(C[C@@H](COC)C(C)C)CC1 ZINC000721912988 710691463 /nfs/dbraw/zinc/69/14/63/710691463.db2.gz NPSHUJRCYYPWDV-LBPRGKRZSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCn1cccn1 ZINC000396732382 711369088 /nfs/dbraw/zinc/36/90/88/711369088.db2.gz ZJQIUIFNHDEJAT-RYUDHWBXSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@H](NC[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000711241533 711459626 /nfs/dbraw/zinc/45/96/26/711459626.db2.gz XHCWLYYGPIALQM-JQWIXIFHSA-N 1 3 226.364 1.389 20 0 BDADHO C1C[C@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CN1 ZINC000723628328 711527450 /nfs/dbraw/zinc/52/74/50/711527450.db2.gz IKDLSDAPGWVDFN-RVMXOQNASA-N 1 3 224.348 1.143 20 0 BDADHO Cc1nnsc1CN1CC[C@H](CC[NH3+])C1 ZINC000723698438 711535003 /nfs/dbraw/zinc/53/50/03/711535003.db2.gz GHNUZJXZXNNNOW-VIFPVBQESA-N 1 3 226.349 1.017 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CC23CC(O)C3)CC1 ZINC000724993184 711641838 /nfs/dbraw/zinc/64/18/38/711641838.db2.gz PISWAMRXZJPHSH-MOKVOYLWSA-N 1 3 238.375 1.364 20 0 BDADHO COC[C@@H](C[N@@H+]1CC[C@H](CN)C1)C(C)C ZINC000721915170 711694193 /nfs/dbraw/zinc/69/41/93/711694193.db2.gz UDXBEBARNXRJAE-VXGBXAGGSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@@H](C[N@H+]1CC[C@H](CN)C1)C(C)C ZINC000721915170 711694195 /nfs/dbraw/zinc/69/41/95/711694195.db2.gz UDXBEBARNXRJAE-VXGBXAGGSA-N 1 3 214.353 1.186 20 0 BDADHO C(C1CCOCC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000257662726 711724447 /nfs/dbraw/zinc/72/44/47/711724447.db2.gz GOSROZPGPHUJFD-AWEZNQCLSA-N 1 3 238.375 1.631 20 0 BDADHO C(C1CCOCC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000257662726 711724450 /nfs/dbraw/zinc/72/44/50/711724450.db2.gz GOSROZPGPHUJFD-AWEZNQCLSA-N 1 3 238.375 1.631 20 0 BDADHO C[C@@H]([NH3+])CC(=O)N(CCN(C)C)C1CCCC1 ZINC000037825066 711754970 /nfs/dbraw/zinc/75/49/70/711754970.db2.gz DLCBIPCAMLWLHW-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@H]1C[NH3+] ZINC000250806235 711760304 /nfs/dbraw/zinc/76/03/04/711760304.db2.gz NXNMEUCUOLVXPH-DRZSPHRISA-N 1 3 248.374 1.515 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H](N)[C@@H](C)C1)C(C)C ZINC000721911486 711917345 /nfs/dbraw/zinc/91/73/45/711917345.db2.gz JNJLPEZPBFLJIM-RWMBFGLXSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H](N)[C@@H](C)C1)C(C)C ZINC000721911486 711917347 /nfs/dbraw/zinc/91/73/47/711917347.db2.gz JNJLPEZPBFLJIM-RWMBFGLXSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H](N)[C@H](C)C1)C(C)C ZINC000721911484 711917374 /nfs/dbraw/zinc/91/73/74/711917374.db2.gz JNJLPEZPBFLJIM-FRRDWIJNSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H](N)[C@H](C)C1)C(C)C ZINC000721911484 711917376 /nfs/dbraw/zinc/91/73/76/711917376.db2.gz JNJLPEZPBFLJIM-FRRDWIJNSA-N 1 3 228.380 1.574 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@@H](CN)C1)C(C)C ZINC000721916469 711919141 /nfs/dbraw/zinc/91/91/41/711919141.db2.gz XMKTYMMDOILBNG-STQMWFEESA-N 1 3 228.380 1.576 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@@H](CN)C1)C(C)C ZINC000721916469 711919143 /nfs/dbraw/zinc/91/91/43/711919143.db2.gz XMKTYMMDOILBNG-STQMWFEESA-N 1 3 228.380 1.576 20 0 BDADHO CCO[C@H]1CCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000701713085 712028064 /nfs/dbraw/zinc/02/80/64/712028064.db2.gz CFPXIVCRPJJGNG-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@]12C[NH2+]C[C@H]1CN(CCCCCCO)C2 ZINC000702066026 712037300 /nfs/dbraw/zinc/03/73/00/712037300.db2.gz SMJCEZARVKEVGU-QWHCGFSZSA-N 1 3 226.364 1.080 20 0 BDADHO CC(C)CCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702118738 712039446 /nfs/dbraw/zinc/03/94/46/712039446.db2.gz ABUSMEVAJJGNJU-QWHCGFSZSA-N 1 3 210.365 1.964 20 0 BDADHO CCC[C@H](O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702346207 712045559 /nfs/dbraw/zinc/04/55/59/712045559.db2.gz PYASNVDQBLEHQU-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO CCC[C@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702346207 712045561 /nfs/dbraw/zinc/04/55/61/712045561.db2.gz PYASNVDQBLEHQU-RWMBFGLXSA-N 1 3 226.364 1.031 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1SCCS1 ZINC000703396002 712075472 /nfs/dbraw/zinc/07/54/72/712075472.db2.gz IUHSLBVWXPFRPA-NXEZZACHSA-N 1 3 246.445 1.900 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000703396003 712075521 /nfs/dbraw/zinc/07/55/21/712075521.db2.gz IUHSLBVWXPFRPA-UWVGGRQHSA-N 1 3 246.445 1.900 20 0 BDADHO CC(C)=CCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595439 712080772 /nfs/dbraw/zinc/08/07/72/712080772.db2.gz KNHLYJUESGDTAW-QWHCGFSZSA-N 1 3 208.349 1.884 20 0 BDADHO C[C@]1(C[N@@H+]2CC[C@]3(CCOC3)C2)CCCNC1 ZINC000707211440 712166786 /nfs/dbraw/zinc/16/67/86/712166786.db2.gz BFNTYUCBULXXIG-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO C[C@]1(C[N@H+]2CC[C@]3(CCOC3)C2)CCCNC1 ZINC000707211440 712166788 /nfs/dbraw/zinc/16/67/88/712166788.db2.gz BFNTYUCBULXXIG-KBPBESRZSA-N 1 3 238.375 1.489 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1C[C@@H](O)C1(C)C)[NH2+]2 ZINC000709415414 712221187 /nfs/dbraw/zinc/22/11/87/712221187.db2.gz QWEKBHBVCVNERJ-HDLKOFKZSA-N 1 3 238.375 1.264 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccns1 ZINC000710026101 712241927 /nfs/dbraw/zinc/24/19/27/712241927.db2.gz JEXFXYVRERKHCZ-KOLCDFICSA-N 1 3 225.361 1.403 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1COC[C@@H]1C ZINC000710852597 712259254 /nfs/dbraw/zinc/25/92/54/712259254.db2.gz MCSOUBSSCNXZGD-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000711110259 712281387 /nfs/dbraw/zinc/28/13/87/712281387.db2.gz PCDKUMJLPNSCCS-ZOBORPQBSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000711110259 712281390 /nfs/dbraw/zinc/28/13/90/712281390.db2.gz PCDKUMJLPNSCCS-ZOBORPQBSA-N 1 3 238.375 1.628 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000711471729 712303360 /nfs/dbraw/zinc/30/33/60/712303360.db2.gz UWDUGUXLWWKJGH-NWDGAFQWSA-N 1 3 224.348 1.369 20 0 BDADHO C[NH+](C)CCCCNCc1nccn1C1CC1 ZINC000711803918 712331934 /nfs/dbraw/zinc/33/19/34/712331934.db2.gz WUFYKWKAEQKAOM-UHFFFAOYSA-N 1 3 236.363 1.649 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)CN(C)C ZINC000378907097 712367144 /nfs/dbraw/zinc/36/71/44/712367144.db2.gz ZQEFCAFWKBNHEK-RNJOBUHISA-N 1 3 210.365 1.962 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712438281 712429656 /nfs/dbraw/zinc/42/96/56/712429656.db2.gz OASJFDLRVUFNBC-XQQFMLRXSA-N 1 3 238.375 1.757 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2COCC2(C)C)C1 ZINC000715540138 712526832 /nfs/dbraw/zinc/52/68/32/712526832.db2.gz DLGXKZJESMFLSC-XQQFMLRXSA-N 1 3 240.391 1.874 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2COCC2(C)C)C1 ZINC000715540138 712526834 /nfs/dbraw/zinc/52/68/34/712526834.db2.gz DLGXKZJESMFLSC-XQQFMLRXSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715567456 712528817 /nfs/dbraw/zinc/52/88/17/712528817.db2.gz DZZHXCYAXUMNLE-RFGFWPKPSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715567456 712528818 /nfs/dbraw/zinc/52/88/18/712528818.db2.gz DZZHXCYAXUMNLE-RFGFWPKPSA-N 1 3 240.391 1.874 20 0 BDADHO Cc1[nH]nc(CNC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000716462332 712562868 /nfs/dbraw/zinc/56/28/68/712562868.db2.gz GJORITMTJUTHOT-GFCCVEGCSA-N 1 3 236.363 1.458 20 0 BDADHO Cc1[nH]nc(CNC[C@H]2CCC[N@H+](C)C2)c1C ZINC000716462332 712562870 /nfs/dbraw/zinc/56/28/70/712562870.db2.gz GJORITMTJUTHOT-GFCCVEGCSA-N 1 3 236.363 1.458 20 0 BDADHO Cc1n[nH]c(C[NH2+]C[C@H]2CCCN(C)C2)c1C ZINC000716462332 712562871 /nfs/dbraw/zinc/56/28/71/712562871.db2.gz GJORITMTJUTHOT-GFCCVEGCSA-N 1 3 236.363 1.458 20 0 BDADHO C[C@H](NC[C@@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592631 712564446 /nfs/dbraw/zinc/56/44/46/712564446.db2.gz FNIABWZEWHMLMS-AAEUAGOBSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H](NC[C@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592635 712564639 /nfs/dbraw/zinc/56/46/39/712564639.db2.gz FNIABWZEWHMLMS-DGCLKSJQSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@@H](C)c1ncc[nH]1 ZINC000379854586 712616879 /nfs/dbraw/zinc/61/68/79/712616879.db2.gz BKJHXZOCHFZYIJ-UWVGGRQHSA-N 1 3 210.325 1.578 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)C12CCC2 ZINC000717596168 712661076 /nfs/dbraw/zinc/66/10/76/712661076.db2.gz VKUOFOPPOYEKHR-IJLUTSLNSA-N 1 3 224.348 1.007 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788252 712865299 /nfs/dbraw/zinc/86/52/99/712865299.db2.gz IUZIJSBIPIDZJG-RNJOBUHISA-N 1 3 224.348 1.367 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788252 712865300 /nfs/dbraw/zinc/86/53/00/712865300.db2.gz IUZIJSBIPIDZJG-RNJOBUHISA-N 1 3 224.348 1.367 20 0 BDADHO C[C@@H]1C[C@@H]1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720799393 712866502 /nfs/dbraw/zinc/86/65/02/712866502.db2.gz ZRDPBNKBVPGXMY-KYXWUPHJSA-N 1 3 236.281 1.711 20 0 BDADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207887933 956876017 /nfs/dbraw/zinc/87/60/17/956876017.db2.gz SAXGFAQWYQYTLO-LBPRGKRZSA-N 1 3 224.348 1.193 20 0 BDADHO CN(C)Cc1ccnc(N2CC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC001164412783 718876592 /nfs/dbraw/zinc/87/65/92/718876592.db2.gz YZNPSUFLQRZMDU-STQMWFEESA-N 1 3 246.358 1.084 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2OC)C1 ZINC000692998896 957412202 /nfs/dbraw/zinc/41/22/02/957412202.db2.gz QCMFCTOMDORRBP-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(C)C1CC[NH+]([C@H]2CCO[C@@H](C)C2)CC1 ZINC001168141803 963847574 /nfs/dbraw/zinc/84/75/74/963847574.db2.gz JZUVISBUAOHDIO-JSGCOSHPSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@H](Cc1ccc(Cl)cc1)NC[C@H](O)C[NH3+] ZINC001168150151 963868607 /nfs/dbraw/zinc/86/86/07/963868607.db2.gz RHKHAXQRKNZWSN-BXKDBHETSA-N 1 3 242.750 1.180 20 0 BDADHO COCC[N@H+](C)C1CCN(CC2CC2)CC1 ZINC001168370890 964933337 /nfs/dbraw/zinc/93/33/37/964933337.db2.gz HXCQHSPBQDQZEY-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO COCC[N@@H+](C)C1CCN(CC2CC2)CC1 ZINC001168370890 964933344 /nfs/dbraw/zinc/93/33/44/964933344.db2.gz HXCQHSPBQDQZEY-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001168371015 964935598 /nfs/dbraw/zinc/93/55/98/964935598.db2.gz BORHHQWQMIQLPC-UHFFFAOYSA-N 1 3 208.349 1.955 20 0 BDADHO C[C@H]1C[C@H](NC[C@H]2COC(C)(C)O2)CC[N@@H+]1C ZINC000715115862 965723053 /nfs/dbraw/zinc/72/30/53/965723053.db2.gz QMJQOYGUELUGSA-TUAOUCFPSA-N 1 3 242.363 1.210 20 0 BDADHO C[C@H]1C[C@H](NC[C@H]2COC(C)(C)O2)CC[N@H+]1C ZINC000715115862 965723064 /nfs/dbraw/zinc/72/30/64/965723064.db2.gz QMJQOYGUELUGSA-TUAOUCFPSA-N 1 3 242.363 1.210 20 0 BDADHO CC1(C)OC[C@H](CN2CCC[C@](C)([NH3+])CC2)O1 ZINC001205257142 967443615 /nfs/dbraw/zinc/44/36/15/967443615.db2.gz SPEGNEQWEGMLSC-AAEUAGOBSA-N 1 3 242.363 1.341 20 0 BDADHO C[C@H]1C[N@@H+](C2CCSCC2)C[C@H]1CN ZINC000708864696 967941245 /nfs/dbraw/zinc/94/12/45/967941245.db2.gz ZQRHILWECPWEAU-VHSXEESVSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@H]1C[N@H+](C2CCSCC2)C[C@H]1CN ZINC000708864696 967941265 /nfs/dbraw/zinc/94/12/65/967941265.db2.gz ZQRHILWECPWEAU-VHSXEESVSA-N 1 3 214.378 1.409 20 0 BDADHO [NH3+]C[C@@]1(F)CCCCN(C[C@@H]2CCOC2)C1 ZINC001206338262 968245041 /nfs/dbraw/zinc/24/50/41/968245041.db2.gz YSCLUJJCQKDUFZ-RYUDHWBXSA-N 1 3 230.327 1.176 20 0 BDADHO C[C@H](CCN[C@@H](C)Cc1ccno1)[NH+](C)C ZINC001206838289 968492878 /nfs/dbraw/zinc/49/28/78/968492878.db2.gz NGYPOOKXDJJPOC-WDEREUQCSA-N 1 3 225.336 1.535 20 0 BDADHO C[NH+]1CCC(CN2CCCC23COC3)CC1 ZINC001207398325 968751669 /nfs/dbraw/zinc/75/16/69/968751669.db2.gz IFSWJJFUVYVFST-UHFFFAOYSA-N 1 3 224.348 1.193 20 0 BDADHO c1nc2c(s1)CN(CC1CC[NH2+]CC1)CC2 ZINC001207439081 968773227 /nfs/dbraw/zinc/77/32/27/968773227.db2.gz LKIRYQXFDDNYDS-UHFFFAOYSA-N 1 3 237.372 1.501 20 0 BDADHO CCN(CCC[NH+](C)C)CC1(C)COC1 ZINC001207800402 968889437 /nfs/dbraw/zinc/88/94/37/968889437.db2.gz QMFPBBWBEHUWAM-UHFFFAOYSA-N 1 3 214.353 1.297 20 0 BDADHO C[NH+]1CCC2(CN(C[C@H]3CCCO3)C2)CC1 ZINC001207887224 968912215 /nfs/dbraw/zinc/91/22/15/968912215.db2.gz FFISUQRGJXGTKM-GFCCVEGCSA-N 1 3 224.348 1.193 20 0 BDADHO CN1CCC[C@@H]([N@@H+]2CCCN(C)CC2)CC1 ZINC001254516220 969686707 /nfs/dbraw/zinc/68/67/07/969686707.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO CN1CCC[C@@H]([N@H+]2CCCN(C)CC2)CC1 ZINC001254516220 969686716 /nfs/dbraw/zinc/68/67/16/969686716.db2.gz KSFVFMCVEJOGEW-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO CCN1CCN([C@H]2CCC[N@H+](C)CC2)C[C@H]1C ZINC001254531066 969730102 /nfs/dbraw/zinc/73/01/02/969730102.db2.gz CGUSYSOIRLBPEV-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN([C@H]2CCC[N@@H+](C)CC2)C[C@H]1C ZINC001254531066 969730108 /nfs/dbraw/zinc/73/01/08/969730108.db2.gz CGUSYSOIRLBPEV-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCC([N@H+](C)[C@H]2CCCN(C)C2)CC1 ZINC001255486669 970232576 /nfs/dbraw/zinc/23/25/76/970232576.db2.gz NKDRZORIDGWVOA-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCC([N@@H+](C)[C@H]2CCCN(C)C2)CC1 ZINC001255486669 970232602 /nfs/dbraw/zinc/23/26/02/970232602.db2.gz NKDRZORIDGWVOA-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N[C@H](C)CO ZINC001255940711 970569128 /nfs/dbraw/zinc/56/91/28/970569128.db2.gz FRONEPMUOFOOBL-GHMZBOCLSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)CO ZINC001255940711 970569143 /nfs/dbraw/zinc/56/91/43/970569143.db2.gz FRONEPMUOFOOBL-GHMZBOCLSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@@H](O)C1 ZINC001255941391 970572459 /nfs/dbraw/zinc/57/24/59/970572459.db2.gz PQFKIOHOKXQDBH-RWMBFGLXSA-N 1 3 228.380 1.610 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@H](OC)C1 ZINC001255942595 970578975 /nfs/dbraw/zinc/57/89/75/970578975.db2.gz GBJYLGAYXJJEQW-JHJVBQTASA-N 1 3 228.380 1.874 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@](C)(O)C1 ZINC001255942245 970579416 /nfs/dbraw/zinc/57/94/16/970579416.db2.gz DURPAABUPMIQSG-MELADBBJSA-N 1 3 242.407 1.857 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CCC[C@@H](O)CC1 ZINC001255956032 970594367 /nfs/dbraw/zinc/59/43/67/970594367.db2.gz GBFKHZTWRLHYJE-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC001255962904 970599902 /nfs/dbraw/zinc/59/99/02/970599902.db2.gz BWAYYGFXNKKVIK-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@@](C)(O)C1 ZINC001255962904 970599907 /nfs/dbraw/zinc/59/99/07/970599907.db2.gz BWAYYGFXNKKVIK-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO CC(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001277888072 978903538 /nfs/dbraw/zinc/90/35/38/978903538.db2.gz HFNGUWTXZULZSB-RTXFEEFZSA-N 1 3 224.348 1.238 20 0 BDADHO CC(=O)[C@@H](C)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001277888072 978903544 /nfs/dbraw/zinc/90/35/44/978903544.db2.gz HFNGUWTXZULZSB-RTXFEEFZSA-N 1 3 224.348 1.238 20 0 BDADHO CC(C)(C)CCN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056210 978967823 /nfs/dbraw/zinc/96/78/23/978967823.db2.gz WMEQDAIXRANKCJ-CYBMUJFWSA-N 1 3 225.380 1.060 20 0 BDADHO CCCCCN1CCN(C[C@H](C)[NH3+])CC1 ZINC001235689939 979117404 /nfs/dbraw/zinc/11/74/04/979117404.db2.gz CNLCRQTZVAVNJE-LBPRGKRZSA-N 1 3 213.369 1.141 20 0 BDADHO CC1(C)C[C@H](CN2C[C@@H]3CC[C@]3([NH3+])C2)CCO1 ZINC001235977322 979239326 /nfs/dbraw/zinc/23/93/26/979239326.db2.gz GNBDFIITDLRFLJ-DYEKYZERSA-N 1 3 238.375 1.615 20 0 BDADHO CC(C)N1CCC[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC001343702463 980202626 /nfs/dbraw/zinc/20/26/26/980202626.db2.gz YJKUWURQONTQLB-NSHDSACASA-N 1 3 241.379 1.103 20 0 BDADHO COC(=O)c1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC001345104604 980551305 /nfs/dbraw/zinc/55/13/05/980551305.db2.gz MHLMCCIKHNSOMQ-JTQLQIEISA-N 1 3 236.315 1.158 20 0 BDADHO CCC[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001201646020 983398625 /nfs/dbraw/zinc/39/86/25/983398625.db2.gz OBBOUWBXNZFABB-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO CCN(CC)C[C@H](O)C[N@H+]1CC[C@](C)(CF)C1 ZINC001253180991 984013882 /nfs/dbraw/zinc/01/38/82/984013882.db2.gz NHRODVXYKGCABD-QWHCGFSZSA-N 1 3 246.370 1.371 20 0 BDADHO CCOCC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001172416745 974686292 /nfs/dbraw/zinc/68/62/92/974686292.db2.gz PWOIAANSGRBXCB-GHMZBOCLSA-N 1 3 202.342 1.328 20 0 BDADHO CCOCC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001172416745 974686296 /nfs/dbraw/zinc/68/62/96/974686296.db2.gz PWOIAANSGRBXCB-GHMZBOCLSA-N 1 3 202.342 1.328 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246591701 972997551 /nfs/dbraw/zinc/99/75/51/972997551.db2.gz NNZMVYXBJYZYJS-SYQHCUMBSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@](C)(O)[C@H](C)C2)CCN1 ZINC001246591701 972997559 /nfs/dbraw/zinc/99/75/59/972997559.db2.gz NNZMVYXBJYZYJS-SYQHCUMBSA-N 1 3 240.391 1.610 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001246588497 972993039 /nfs/dbraw/zinc/99/30/39/972993039.db2.gz QJLNWZGGLYYZQX-AVGNSLFASA-N 1 3 243.370 1.232 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001246588497 972993055 /nfs/dbraw/zinc/99/30/55/972993055.db2.gz QJLNWZGGLYYZQX-AVGNSLFASA-N 1 3 243.370 1.232 20 0 BDADHO C[C@H]1C[N@@H+](C2CCNCC2)CCC[C@]1(C)O ZINC001246590312 972998838 /nfs/dbraw/zinc/99/88/38/972998838.db2.gz JCRLEPLEGDCBOX-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]1C[N@H+](C2CCNCC2)CCC[C@]1(C)O ZINC001246590312 972998848 /nfs/dbraw/zinc/99/88/48/972998848.db2.gz JCRLEPLEGDCBOX-AAEUAGOBSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CC(N2CC(C)(C[NH3+])C2)C[C@@H](C)O1 ZINC001246596792 973016192 /nfs/dbraw/zinc/01/61/92/973016192.db2.gz KMJVSRMMVAIZHV-NXEZZACHSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H](Cc1ccccn1)[N@H+](C)CCCN(C)C ZINC001256408838 970814053 /nfs/dbraw/zinc/81/40/53/970814053.db2.gz FHXCIMLLBYZMCM-ZDUSSCGKSA-N 1 3 235.375 1.896 20 0 BDADHO C[C@@H](Cc1ccccn1)[N@@H+](C)CCCN(C)C ZINC001256408838 970814059 /nfs/dbraw/zinc/81/40/59/970814059.db2.gz FHXCIMLLBYZMCM-ZDUSSCGKSA-N 1 3 235.375 1.896 20 0 BDADHO C[C@@H](N)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001256615500 970879400 /nfs/dbraw/zinc/87/94/00/970879400.db2.gz KNUCYECRLRXNEO-YIBTVLSRSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@@H](N)c1ccn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001256615500 970879403 /nfs/dbraw/zinc/87/94/03/970879403.db2.gz KNUCYECRLRXNEO-YIBTVLSRSA-N 1 3 234.347 1.701 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([N@H+](CCCN)C(C)C)C1 ZINC001170503095 971001521 /nfs/dbraw/zinc/00/15/21/971001521.db2.gz BZPVGYLNGQRKAM-NEPJUHHUSA-N 1 3 242.363 1.387 20 0 BDADHO COC(=O)[C@@H]1CC[C@H]([N@@H+](CCCN)C(C)C)C1 ZINC001170503095 971001529 /nfs/dbraw/zinc/00/15/29/971001529.db2.gz BZPVGYLNGQRKAM-NEPJUHHUSA-N 1 3 242.363 1.387 20 0 BDADHO CNc1cc(Nc2nccn2C)cc[nH+]1 ZINC001216331410 971044052 /nfs/dbraw/zinc/04/40/52/971044052.db2.gz SMKGUYZXYBZTCW-UHFFFAOYSA-N 1 3 203.249 1.600 20 0 BDADHO COC(=O)CC1CCC([NH2+]C[C@@H](C)CN)CC1 ZINC001256976938 971057937 /nfs/dbraw/zinc/05/79/37/971057937.db2.gz NLSXTLHJQGYCEG-UNXYVOJBSA-N 1 3 242.363 1.293 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001257215032 971128305 /nfs/dbraw/zinc/12/83/05/971128305.db2.gz RACQHJGVXHWDFL-OCCSQVGLSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[NH+]1CCC(N2CCN3CC[C@@H]3C2)CC1 ZINC001257223614 971136034 /nfs/dbraw/zinc/13/60/34/971136034.db2.gz SOHQTPFRGXZTIW-CQSZACIVSA-N 1 3 237.391 1.249 20 0 BDADHO C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405294375 971231372 /nfs/dbraw/zinc/23/13/72/971231372.db2.gz FMYREWQOKAEESN-GRYCIOLGSA-N 1 3 234.347 1.131 20 0 BDADHO CC[C@H](O)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405362843 971240105 /nfs/dbraw/zinc/24/01/05/971240105.db2.gz VBMRQNXIBBUYNI-GARJFASQSA-N 1 3 212.337 1.007 20 0 BDADHO CCOC[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405367901 971242096 /nfs/dbraw/zinc/24/20/96/971242096.db2.gz XKSQQNMFCBFHHL-HBNTYKKESA-N 1 3 212.337 1.271 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405367901 971242105 /nfs/dbraw/zinc/24/21/05/971242105.db2.gz XKSQQNMFCBFHHL-HBNTYKKESA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCOC2CCCC2)C12CCC2 ZINC000405357499 971243065 /nfs/dbraw/zinc/24/30/65/971243065.db2.gz RUIYPIBOELIZNP-CHWSQXEVSA-N 1 3 238.375 1.805 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405368363 971246708 /nfs/dbraw/zinc/24/67/08/971246708.db2.gz XQZRBCIQSDMAEM-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405411538 971252169 /nfs/dbraw/zinc/25/21/69/971252169.db2.gz NGBCXAZPETVUEF-SDDRHHMPSA-N 1 3 226.364 1.253 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405411538 971252180 /nfs/dbraw/zinc/25/21/80/971252180.db2.gz NGBCXAZPETVUEF-SDDRHHMPSA-N 1 3 226.364 1.253 20 0 BDADHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)CC)CC1 ZINC001257436198 971344671 /nfs/dbraw/zinc/34/46/71/971344671.db2.gz KEHLLEHBSWXMSD-LLVKDONJSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CC)CC1 ZINC001257436198 971344679 /nfs/dbraw/zinc/34/46/79/971344679.db2.gz KEHLLEHBSWXMSD-LLVKDONJSA-N 1 3 242.363 1.531 20 0 BDADHO C[NH+]1C(C)(C)CC(N[C@H]2C[C@@H](O)C2)CC1(C)C ZINC001171621092 974112878 /nfs/dbraw/zinc/11/28/78/974112878.db2.gz JSDAWTCJZQVIJD-KLPPZKSPSA-N 1 3 240.391 1.751 20 0 BDADHO CN1C(C)(C)CC([NH2+][C@H]2C[C@@H](O)C2)CC1(C)C ZINC001171621092 974112885 /nfs/dbraw/zinc/11/28/85/974112885.db2.gz JSDAWTCJZQVIJD-KLPPZKSPSA-N 1 3 240.391 1.751 20 0 BDADHO C[C@@H](OC[C@@H]1COC(C)(C)N1)C1CC[NH2+]CC1 ZINC001217777536 971401092 /nfs/dbraw/zinc/40/10/92/971401092.db2.gz LMSQZBUYLOEAQV-ZYHUDNBSSA-N 1 3 242.363 1.116 20 0 BDADHO CN(CCC[NH+](C)C)[C@@H]1CCCSC1 ZINC001257668402 971469952 /nfs/dbraw/zinc/46/99/52/971469952.db2.gz QSDXATPASFIIKL-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@@]2(C)CCOC2)CC1 ZINC001258007544 971555743 /nfs/dbraw/zinc/55/57/43/971555743.db2.gz GPVDRZDRAMIHIS-AWEZNQCLSA-N 1 3 240.391 1.875 20 0 BDADHO c1cc2c(c(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c1)CNC2 ZINC001218149807 971606729 /nfs/dbraw/zinc/60/67/29/971606729.db2.gz UZDJILYOGBVKAD-YABSGUDNSA-N 1 3 230.311 1.277 20 0 BDADHO C[C@@H](CN)C[N@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729754 971669316 /nfs/dbraw/zinc/66/93/16/971669316.db2.gz GJDWLBIQLYBQJX-FIQHERPVSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170729754 971669322 /nfs/dbraw/zinc/66/93/22/971669322.db2.gz GJDWLBIQLYBQJX-FIQHERPVSA-N 1 3 210.365 1.948 20 0 BDADHO c1cc2c(c(O[C@@H]3C=CC[NH2+]C3)c1)CNC2 ZINC001218334278 971713456 /nfs/dbraw/zinc/71/34/56/971713456.db2.gz NKGWGWIBXBVQIP-LLVKDONJSA-N 1 3 216.284 1.197 20 0 BDADHO CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001172327196 974538100 /nfs/dbraw/zinc/53/81/00/974538100.db2.gz DFUYXYNSQVSYRS-UTUOFQBUSA-N 1 3 216.369 1.765 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812981 971885982 /nfs/dbraw/zinc/88/59/82/971885982.db2.gz XWTBFFHBFILKHF-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812981 971885985 /nfs/dbraw/zinc/88/59/85/971885985.db2.gz XWTBFFHBFILKHF-HZSPNIEDSA-N 1 3 238.375 1.439 20 0 BDADHO CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135706386 971968013 /nfs/dbraw/zinc/96/80/13/971968013.db2.gz UBHJXEUASMHGRI-VXGBXAGGSA-N 1 3 243.395 1.221 20 0 BDADHO N[C@H](CCC[NH3+])C(=O)Nc1cccc2cc[nH]c21 ZINC001219110135 971982416 /nfs/dbraw/zinc/98/24/16/971982416.db2.gz MHMKBJLDUZPARB-SNVBAGLBSA-N 1 3 246.314 1.173 20 0 BDADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)N=NC2 ZINC001219414442 972010917 /nfs/dbraw/zinc/01/09/17/972010917.db2.gz AIHYBTRPNAVRJK-JTQLQIEISA-N 1 3 247.302 1.289 20 0 BDADHO C[C@@H]([NH3+])CCNc1c[nH]cc2ccnc1-2 ZINC001170891446 972045592 /nfs/dbraw/zinc/04/55/92/972045592.db2.gz YAAGMJOVJLGXSH-MRVPVSSYSA-N 1 3 204.277 1.712 20 0 BDADHO N[C@@H](CCC[NH3+])Nc1cc2[nH]cnc2cc1F ZINC001170907112 972080353 /nfs/dbraw/zinc/08/03/53/972080353.db2.gz ZRAQTVPVGHHPLD-LLVKDONJSA-N 1 3 237.282 1.138 20 0 BDADHO C=CC(=O)Oc1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170904776 972081883 /nfs/dbraw/zinc/08/18/83/972081883.db2.gz PAIXWRCDOLSCSW-GFCCVEGCSA-N 1 3 249.314 1.214 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001245999951 972113296 /nfs/dbraw/zinc/11/32/96/972113296.db2.gz KJEZLLSWLHZILS-WCQYABFASA-N 1 3 238.331 1.056 20 0 BDADHO C1C[C@H]2CC([NH2+]C3CCNCC3)C[C@@H]1O2 ZINC001246082173 972134451 /nfs/dbraw/zinc/13/44/51/972134451.db2.gz WNCHSYGPSUHFRX-YOGCLGLASA-N 1 3 210.321 1.038 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC001246095672 972148302 /nfs/dbraw/zinc/14/83/02/972148302.db2.gz BXVTXZICJWQEOB-SRVKXCTJSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]1CC[C@H](CNC2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107748 972172404 /nfs/dbraw/zinc/17/24/04/972172404.db2.gz UNTDHBSKJAVWDJ-PJIALRRASA-N 1 3 236.359 1.450 20 0 BDADHO CCOC(=O)CCCC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246185485 972210137 /nfs/dbraw/zinc/21/01/37/972210137.db2.gz FCZRXOBYBDACLN-NWDGAFQWSA-N 1 3 242.363 1.450 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3cnccn3)C2)CC1 ZINC001209786853 957530433 /nfs/dbraw/zinc/53/04/33/957530433.db2.gz KHZGWRLZZJHATD-UHFFFAOYSA-N 1 3 246.358 1.394 20 0 BDADHO CN(C)Cc1ccc(N[C@H]2CC[N@H+](C)C2)nc1 ZINC001167273191 957615561 /nfs/dbraw/zinc/61/55/61/957615561.db2.gz WKRNLEKTNQQCAI-LBPRGKRZSA-N 1 3 234.347 1.259 20 0 BDADHO CN(C)Cc1ccc(N[C@H]2CC[N@@H+](C)C2)nc1 ZINC001167273191 957615563 /nfs/dbraw/zinc/61/55/63/957615563.db2.gz WKRNLEKTNQQCAI-LBPRGKRZSA-N 1 3 234.347 1.259 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCOC(C)(C)C2)CCN1 ZINC001246367901 972307947 /nfs/dbraw/zinc/30/79/47/972307947.db2.gz AYWYUAIRLHHZPK-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[C@@H](NC[C@H]2CCCCN2C)C[NH2+]1 ZINC000399008863 958480623 /nfs/dbraw/zinc/48/06/23/958480623.db2.gz BJEIVOYMMXXVRX-JHJVBQTASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000382670592 958714635 /nfs/dbraw/zinc/71/46/35/958714635.db2.gz YJCQQWRVFAFFBY-MCIONIFRSA-N 1 3 240.391 1.564 20 0 BDADHO C/C=C(\C)C(=O)N(CCN(CC)CC)C(N)=[NH2+] ZINC001143951578 972440368 /nfs/dbraw/zinc/44/03/68/972440368.db2.gz QACCRXDGGKNKEE-BJMVGYQFSA-N 1 3 240.351 1.016 20 0 BDADHO CC1(C)N[C@H](CO[C@H]2CC[NH2+]CC2(C)C)CO1 ZINC001217877860 959698724 /nfs/dbraw/zinc/69/87/24/959698724.db2.gz DFWFEOWTKSXTIX-MNOVXSKESA-N 1 3 242.363 1.116 20 0 BDADHO Cc1ccc2c(c1)C1(CN2)CC[NH+](CCN)CC1 ZINC001222477388 972512561 /nfs/dbraw/zinc/51/25/61/972512561.db2.gz KIBLUMUBLWYMTN-UHFFFAOYSA-N 1 3 245.370 1.713 20 0 BDADHO COC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000709393268 960551815 /nfs/dbraw/zinc/55/18/15/960551815.db2.gz SOMAPVXKCPNYPE-ZGVCCVRISA-N 1 3 224.348 1.284 20 0 BDADHO c1nc2cc[nH]cc-2c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140806371 960603110 /nfs/dbraw/zinc/60/31/10/960603110.db2.gz HMQFAQYKHCDFBR-LBPRGKRZSA-N 1 3 242.326 1.453 20 0 BDADHO c1nc2cc[nH]cc-2c1CN1CC[N@H+]2CC[C@H]2C1 ZINC001140806371 960603117 /nfs/dbraw/zinc/60/31/17/960603117.db2.gz HMQFAQYKHCDFBR-LBPRGKRZSA-N 1 3 242.326 1.453 20 0 BDADHO CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001268010506 960729977 /nfs/dbraw/zinc/72/99/77/960729977.db2.gz ORGKEJAOSICAGP-NEPJUHHUSA-N 1 3 243.395 1.079 20 0 BDADHO Cc1ncc(CN2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001203116757 961224174 /nfs/dbraw/zinc/22/41/74/961224174.db2.gz OXTORCAXLWKECS-UHFFFAOYSA-N 1 3 246.358 1.313 20 0 BDADHO N[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCC1(F)F ZINC001206648162 962599902 /nfs/dbraw/zinc/59/99/02/962599902.db2.gz MGHNZKOQMHTRAL-MNOVXSKESA-N 1 3 247.333 1.044 20 0 BDADHO C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167958514 962827321 /nfs/dbraw/zinc/82/73/21/962827321.db2.gz GHHWMHAZUVFVCF-NDNKKMJESA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167958514 962827332 /nfs/dbraw/zinc/82/73/32/962827332.db2.gz GHHWMHAZUVFVCF-NDNKKMJESA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H]1C[C@@H](CNc2cc(CN(C)C)ccn2)C[NH2+]1 ZINC001155102139 962980612 /nfs/dbraw/zinc/98/06/12/962980612.db2.gz ORGYTVNVXHALRQ-DGCLKSJQSA-N 1 3 248.374 1.553 20 0 BDADHO CC(C)[N@H+](CCCN)[C@@H]1CCO[C@@H](C)C1 ZINC001168073348 963604603 /nfs/dbraw/zinc/60/46/03/963604603.db2.gz CNZYRTWYKWKQBL-NWDGAFQWSA-N 1 3 214.353 1.613 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@@H]1CCO[C@@H](C)C1 ZINC001168073348 963604618 /nfs/dbraw/zinc/60/46/18/963604618.db2.gz CNZYRTWYKWKQBL-NWDGAFQWSA-N 1 3 214.353 1.613 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1CCO[C@H](C)C1 ZINC001168074097 963608181 /nfs/dbraw/zinc/60/81/81/963608181.db2.gz HCVJKZVKMHEISD-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1CCO[C@H](C)C1 ZINC001168074097 963608186 /nfs/dbraw/zinc/60/81/86/963608186.db2.gz HCVJKZVKMHEISD-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCOC1 ZINC000822123837 963938258 /nfs/dbraw/zinc/93/82/58/963938258.db2.gz GDCLUWSUZHSNNQ-VXGBXAGGSA-N 1 3 212.337 1.239 20 0 BDADHO CN1CCC[C@H]1CC[NH2+]C1CCOCC1 ZINC000822123801 963938357 /nfs/dbraw/zinc/93/83/57/963938357.db2.gz FKTSUHBUDIDXGG-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCOC1 ZINC000822123835 963939838 /nfs/dbraw/zinc/93/98/38/963939838.db2.gz GDCLUWSUZHSNNQ-NWDGAFQWSA-N 1 3 212.337 1.239 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+]C1CCOCC1 ZINC000822123800 963940226 /nfs/dbraw/zinc/94/02/26/963940226.db2.gz FKTSUHBUDIDXGG-GFCCVEGCSA-N 1 3 212.337 1.239 20 0 BDADHO c1c(N=C2CCC[NH2+]CC2)onc1[C@H]1CCCN1 ZINC001159305355 964057824 /nfs/dbraw/zinc/05/78/24/964057824.db2.gz MEMDLHOUSAQUTD-LLVKDONJSA-N 1 3 248.330 1.778 20 0 BDADHO c1c(N=C2CCC[NH2+]CC2)onc1[C@@H]1CCCN1 ZINC001159305356 964059353 /nfs/dbraw/zinc/05/93/53/964059353.db2.gz MEMDLHOUSAQUTD-NSHDSACASA-N 1 3 248.330 1.778 20 0 BDADHO NCc1cc(Nc2cccc(CC[NH3+])c2)ncn1 ZINC001161078809 964516653 /nfs/dbraw/zinc/51/66/53/964516653.db2.gz KEJCOVROTHNUTQ-UHFFFAOYSA-N 1 3 243.314 1.180 20 0 BDADHO CO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)N(C)C)C12CCC2 ZINC000697824315 964539139 /nfs/dbraw/zinc/53/91/39/964539139.db2.gz BQYQKKRVHQIBOP-YNEHKIRRSA-N 1 3 240.391 1.874 20 0 BDADHO CN(C)Cc1ccc(NCC[NH+](C)C)nc1 ZINC001161666877 964674147 /nfs/dbraw/zinc/67/41/47/964674147.db2.gz OVJFQIQWPVMLBS-UHFFFAOYSA-N 1 3 222.336 1.117 20 0 BDADHO Cc1cc(C)nc(N[C@H]2C[C@@](C)([NH3+])C2)c1 ZINC001162325403 964931481 /nfs/dbraw/zinc/93/14/81/964931481.db2.gz YAFKUXGYMYVLFN-KLPPZKSPSA-N 1 3 205.305 1.990 20 0 BDADHO NCc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001162405309 964965990 /nfs/dbraw/zinc/96/59/90/964965990.db2.gz UGFGZZGVDAJMAP-VHSXEESVSA-N 1 3 220.320 1.222 20 0 BDADHO C[C@]1(O)CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168374279 964993165 /nfs/dbraw/zinc/99/31/65/964993165.db2.gz YIFUKUJGBPSWJO-AWEZNQCLSA-N 1 3 238.375 1.318 20 0 BDADHO C1=C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000698205077 965105656 /nfs/dbraw/zinc/10/56/56/965105656.db2.gz NMYDZAAWFJFNCH-XQQFMLRXSA-N 1 3 206.333 1.921 20 0 BDADHO C1=C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000698205077 965105658 /nfs/dbraw/zinc/10/56/58/965105658.db2.gz NMYDZAAWFJFNCH-XQQFMLRXSA-N 1 3 206.333 1.921 20 0 BDADHO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(CN(C)C)cn1 ZINC001162670274 965106432 /nfs/dbraw/zinc/10/64/32/965106432.db2.gz CDGDSXRXVYYVQX-ZYHUDNBSSA-N 1 3 234.347 1.306 20 0 BDADHO [NH3+]CC1(N[C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168422403 965390883 /nfs/dbraw/zinc/39/08/83/965390883.db2.gz WRMPVBHJIMMLHN-ZDUSSCGKSA-N 1 3 234.318 1.764 20 0 BDADHO CN(C)c1cccc(N2CCC([NH3+])CC2)n1 ZINC001163572440 965453705 /nfs/dbraw/zinc/45/37/05/965453705.db2.gz IOUWABGKGYMIMW-UHFFFAOYSA-N 1 3 220.320 1.075 20 0 BDADHO CC(C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001493683970 965473033 /nfs/dbraw/zinc/47/30/33/965473033.db2.gz GGBMIWGWZJFUHS-GFCCVEGCSA-N 1 3 243.395 1.029 20 0 BDADHO Cc1cc2cc(N(CC[NH3+])CCO)ccc2cn1 ZINC001163840390 965605993 /nfs/dbraw/zinc/60/59/93/965605993.db2.gz WUQSNJQMOGGNOG-UHFFFAOYSA-N 1 3 245.326 1.301 20 0 BDADHO CN(C)C1CN(c2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001163942958 965651807 /nfs/dbraw/zinc/65/18/07/965651807.db2.gz UDYUBNWPUZLPTO-UHFFFAOYSA-N 1 3 243.314 1.018 20 0 BDADHO Cc1cc(CN)nn1-c1cccc(C[NH3+])c1 ZINC001163982013 965675997 /nfs/dbraw/zinc/67/59/97/965675997.db2.gz WOUQIJBPMUMJII-UHFFFAOYSA-N 1 3 216.288 1.098 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc3c(c2)CCN3)CC1 ZINC001205117783 965871635 /nfs/dbraw/zinc/87/16/35/965871635.db2.gz VGMVNBUKKHBPFO-AWEZNQCLSA-N 1 3 245.370 1.968 20 0 BDADHO Cc1cc2[nH]ccc2c(N2CC[C@H]3C[C@@]3([NH3+])C2)n1 ZINC001165325906 966055091 /nfs/dbraw/zinc/05/50/91/966055091.db2.gz CHAARIAPBLBDMW-IINYFYTJSA-N 1 3 242.326 1.799 20 0 BDADHO NC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2 ZINC001235725647 966103202 /nfs/dbraw/zinc/10/32/02/966103202.db2.gz SWCDOTYVIRHRRK-AWEZNQCLSA-N 1 3 245.370 1.968 20 0 BDADHO NC[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2 ZINC001235725647 966103212 /nfs/dbraw/zinc/10/32/12/966103212.db2.gz SWCDOTYVIRHRRK-AWEZNQCLSA-N 1 3 245.370 1.968 20 0 BDADHO CC1(C)C[C@H](CN2C[C@H]3CC[C@@]3([NH3+])C2)CCO1 ZINC001235977325 966192184 /nfs/dbraw/zinc/19/21/84/966192184.db2.gz GNBDFIITDLRFLJ-YRGRVCCFSA-N 1 3 238.375 1.615 20 0 BDADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1(C)COC1 ZINC001276415659 966739495 /nfs/dbraw/zinc/73/94/95/966739495.db2.gz OCIYEBWRPFHTAD-YOGCLGLASA-N 1 3 224.348 1.238 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715560998 967181686 /nfs/dbraw/zinc/18/16/86/967181686.db2.gz GDTCHPVFXRTYLB-QJPTWQEYSA-N 1 3 214.353 1.220 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000300660545 967221909 /nfs/dbraw/zinc/22/19/09/967221909.db2.gz XJOWVPCQVNZHSO-CABNGKKXSA-N 1 3 238.375 1.674 20 0 BDADHO Cc1cnsc1CN1CCC(C[NH3+])CC1 ZINC001205053874 967308228 /nfs/dbraw/zinc/30/82/28/967308228.db2.gz RUVIDBPCAIBNKW-UHFFFAOYSA-N 1 3 225.361 1.622 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc3n[nH]cc3c2)CC1 ZINC001205110135 967357680 /nfs/dbraw/zinc/35/76/80/967357680.db2.gz PJJZRABBMRUCJY-CYBMUJFWSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@H]1C[N@H+](C[C@@H]2CC=CCC2)C[C@H]1CN ZINC001205130555 967375771 /nfs/dbraw/zinc/37/57/71/967375771.db2.gz IKGHRVKZSBBVEQ-YNEHKIRRSA-N 1 3 208.349 1.869 20 0 BDADHO C[C@H]1C[N@@H+](C[C@@H]2CC=CCC2)C[C@H]1CN ZINC001205130555 967375785 /nfs/dbraw/zinc/37/57/85/967375785.db2.gz IKGHRVKZSBBVEQ-YNEHKIRRSA-N 1 3 208.349 1.869 20 0 BDADHO C[C@]1([NH3+])CCCN(Cc2cc[nH]c2)CC1 ZINC001205273017 967466002 /nfs/dbraw/zinc/46/60/02/967466002.db2.gz CILSDGJKOOXAGF-LBPRGKRZSA-N 1 3 207.321 1.718 20 0 BDADHO C[C@H]1CN(Cc2ccon2)CCC[C@@H]1C[NH3+] ZINC001205996562 967949878 /nfs/dbraw/zinc/94/98/78/967949878.db2.gz XGPOYRVXVRELQI-WDEREUQCSA-N 1 3 223.320 1.481 20 0 BDADHO C[C@@H]1CN(Cc2nccs2)CCC[C@@H]1C[NH3+] ZINC001205992921 967953347 /nfs/dbraw/zinc/95/33/47/967953347.db2.gz GFIAOJLOJIKNQU-GHMZBOCLSA-N 1 3 239.388 1.950 20 0 BDADHO Cc1c[nH]c(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c1C ZINC001206175235 968109513 /nfs/dbraw/zinc/10/95/13/968109513.db2.gz SULSETAVUITVFI-NWDGAFQWSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1c[nH]c(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c1C ZINC001206175235 968109521 /nfs/dbraw/zinc/10/95/21/968109521.db2.gz SULSETAVUITVFI-NWDGAFQWSA-N 1 3 239.338 1.893 20 0 BDADHO [NH3+]C[C@]1(F)CCCCN(C[C@H]2CCOC2)C1 ZINC001206338264 968233819 /nfs/dbraw/zinc/23/38/19/968233819.db2.gz YSCLUJJCQKDUFZ-VXGBXAGGSA-N 1 3 230.327 1.176 20 0 BDADHO Cc1ccc(C)c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464686 968323179 /nfs/dbraw/zinc/32/31/79/968323179.db2.gz RZNGUSAPZJSAPK-UONOGXRCSA-N 1 3 234.343 1.055 20 0 BDADHO COCOCCC[N@@H+]1CCCC[C@H](CN)C1 ZINC001206606285 968416179 /nfs/dbraw/zinc/41/61/79/968416179.db2.gz JCGIUGZELNDIEQ-GFCCVEGCSA-N 1 3 230.352 1.058 20 0 BDADHO COCOCCC[N@H+]1CCCC[C@H](CN)C1 ZINC001206606285 968416186 /nfs/dbraw/zinc/41/61/86/968416186.db2.gz JCGIUGZELNDIEQ-GFCCVEGCSA-N 1 3 230.352 1.058 20 0 BDADHO C[C@@H](Cc1ccno1)NCC[C@H](C)[NH+](C)C ZINC001206838288 968491604 /nfs/dbraw/zinc/49/16/04/968491604.db2.gz NGYPOOKXDJJPOC-QWRGUYRKSA-N 1 3 225.336 1.535 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCC(C)(C)O)C1 ZINC001252365499 968644788 /nfs/dbraw/zinc/64/47/88/968644788.db2.gz WNTUVAOKEIFNMH-BETUJISGSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNCC(C)(C)O)C1 ZINC001252365499 968644796 /nfs/dbraw/zinc/64/47/96/968644796.db2.gz WNTUVAOKEIFNMH-BETUJISGSA-N 1 3 242.407 1.715 20 0 BDADHO COC(CN(C)CCC1CC[NH+](C)CC1)OC ZINC001207487102 968798159 /nfs/dbraw/zinc/79/81/59/968798159.db2.gz QCCWHZVXCXAZNZ-UHFFFAOYSA-N 1 3 244.379 1.269 20 0 BDADHO C[NH+]1CCC(CCN2CC3(CC(O)C3)C2)CC1 ZINC001207480197 968798775 /nfs/dbraw/zinc/79/87/75/968798775.db2.gz WPEPNYAISBDKII-UHFFFAOYSA-N 1 3 238.375 1.175 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001253384391 969149262 /nfs/dbraw/zinc/14/92/62/969149262.db2.gz RECDZBRZIBRQHM-ZDUSSCGKSA-N 1 3 242.407 1.905 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096020 969386059 /nfs/dbraw/zinc/38/60/59/969386059.db2.gz UFCMEQGVYUJDKI-BTTYYORXSA-N 1 3 248.374 1.406 20 0 BDADHO CN([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCOC1 ZINC001169160888 969477969 /nfs/dbraw/zinc/47/79/69/969477969.db2.gz MGHIVTCZMGFTMD-RFQIPJPRSA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCOC1 ZINC001169160888 969477972 /nfs/dbraw/zinc/47/79/72/969477972.db2.gz MGHIVTCZMGFTMD-RFQIPJPRSA-N 1 3 238.375 1.722 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169161132 969479605 /nfs/dbraw/zinc/47/96/05/969479605.db2.gz OMHKKHCJGWUWSU-AICCOOGYSA-N 1 3 249.402 1.390 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169161132 969479614 /nfs/dbraw/zinc/47/96/14/969479614.db2.gz OMHKKHCJGWUWSU-AICCOOGYSA-N 1 3 249.402 1.390 20 0 BDADHO C(CN1CCCCC1)C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001209450339 969519416 /nfs/dbraw/zinc/51/94/16/969519416.db2.gz GOZDACLKWUSDKQ-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C(CN1CCCCC1)C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001209450339 969519419 /nfs/dbraw/zinc/51/94/19/969519419.db2.gz GOZDACLKWUSDKQ-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO NCc1cnnn1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001169309851 969587332 /nfs/dbraw/zinc/58/73/32/969587332.db2.gz MAXWHKKGDHRKOX-CYBMUJFWSA-N 1 3 243.314 1.151 20 0 BDADHO Cc1cc(CN)nn1[C@H]1CCC[N@@H+](C)CC1 ZINC001254499938 969657274 /nfs/dbraw/zinc/65/72/74/969657274.db2.gz QKBZQNFDNCVKGG-LBPRGKRZSA-N 1 3 222.336 1.307 20 0 BDADHO Cc1cc(CN)nn1[C@H]1CCC[N@H+](C)CC1 ZINC001254499938 969657284 /nfs/dbraw/zinc/65/72/84/969657284.db2.gz QKBZQNFDNCVKGG-LBPRGKRZSA-N 1 3 222.336 1.307 20 0 BDADHO CN1CCC[C@@H]([NH2+]C2COC(C)(C)OC2)CC1 ZINC001254506409 969670932 /nfs/dbraw/zinc/67/09/32/969670932.db2.gz RTXMYQQKMRMXSR-LLVKDONJSA-N 1 3 242.363 1.212 20 0 BDADHO CCN1CCN([C@@H]2CCC[N@H+](C)CC2)[C@H](C)C1 ZINC001254531168 969732459 /nfs/dbraw/zinc/73/24/59/969732459.db2.gz FNQAIIHYPJCOTJ-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN([C@@H]2CCC[N@@H+](C)CC2)[C@H](C)C1 ZINC001254531168 969732467 /nfs/dbraw/zinc/73/24/67/969732467.db2.gz FNQAIIHYPJCOTJ-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CC[C@H]([N@H+](C)[C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859130 969810769 /nfs/dbraw/zinc/81/07/69/969810769.db2.gz BVDIFLXHDVKWDS-UONOGXRCSA-N 1 3 237.391 1.107 20 0 BDADHO CN1CC[C@H]([N@@H+](C)[C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859130 969810774 /nfs/dbraw/zinc/81/07/74/969810774.db2.gz BVDIFLXHDVKWDS-UONOGXRCSA-N 1 3 237.391 1.107 20 0 BDADHO CN(C)Cc1ccc(-n2ccc(C[NH3+])c2)nc1 ZINC001169723733 969833631 /nfs/dbraw/zinc/83/36/31/969833631.db2.gz ZVJULAWKUASTSS-UHFFFAOYSA-N 1 3 230.315 1.393 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@@H]1CCSC1)CC2 ZINC001255292563 970051435 /nfs/dbraw/zinc/05/14/35/970051435.db2.gz GLXRXFXZPFWIHK-LLVKDONJSA-N 1 3 226.389 1.520 20 0 BDADHO C[N@@H+]1CC[C@@H](Nc2cccc(F)c2CN)C1 ZINC001255412331 970131187 /nfs/dbraw/zinc/13/11/87/970131187.db2.gz NEHQXAWGKQKQJL-SECBINFHSA-N 1 3 223.295 1.400 20 0 BDADHO C[N@H+]1CC[C@@H](Nc2cccc(F)c2CN)C1 ZINC001255412331 970131194 /nfs/dbraw/zinc/13/11/94/970131194.db2.gz NEHQXAWGKQKQJL-SECBINFHSA-N 1 3 223.295 1.400 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2CCC[N@H+](C)C2)n1 ZINC001255471836 970193654 /nfs/dbraw/zinc/19/36/54/970193654.db2.gz HUYBLKQSSORFEY-ZJUUUORDSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@@H](N)c1ccn([C@H]2CCC[N@@H+](C)C2)n1 ZINC001255471836 970193661 /nfs/dbraw/zinc/19/36/61/970193661.db2.gz HUYBLKQSSORFEY-ZJUUUORDSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@H]1CCOC(C)(C)C1 ZINC001255533188 970298721 /nfs/dbraw/zinc/29/87/21/970298721.db2.gz WSARAIVVAHXENG-MNOVXSKESA-N 1 3 214.353 1.471 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCOC(C)(C)C1 ZINC001255533188 970298727 /nfs/dbraw/zinc/29/87/27/970298727.db2.gz WSARAIVVAHXENG-MNOVXSKESA-N 1 3 214.353 1.471 20 0 BDADHO C[C@@H]1CC[C@H]([NH+]2CCN(CCN(C)C)CC2)C1 ZINC001170125331 970374738 /nfs/dbraw/zinc/37/47/38/970374738.db2.gz KCERQARRUPJYGL-KGLIPLIRSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@H]1CC[C@@H]([NH+](CCN(C)C)CCN(C)C)C1 ZINC001170145694 970435134 /nfs/dbraw/zinc/43/51/34/970435134.db2.gz VVWKHJVEAQDVSL-UONOGXRCSA-N 1 3 241.423 1.600 20 0 BDADHO C[C@@H](N)c1nccn1C1CC[NH+](C2CC2)CC1 ZINC001256065930 970630553 /nfs/dbraw/zinc/63/05/53/970630553.db2.gz KLQDHDKKJAJFED-SNVBAGLBSA-N 1 3 234.347 1.702 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000400986571 970651822 /nfs/dbraw/zinc/65/18/22/970651822.db2.gz UPBDZZKTECLAOT-YYJSSNLHSA-N 1 3 241.379 1.136 20 0 BDADHO C[NH+]1CCC(N2CCC3(CCOC3)CC2)CC1 ZINC001256202590 970706165 /nfs/dbraw/zinc/70/61/65/970706165.db2.gz IIAOFCFAYRRCFM-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO Cc1ccc(CN2CCC(F)(C[NH3+])CC2)[nH]1 ZINC001222532898 972554423 /nfs/dbraw/zinc/55/44/23/972554423.db2.gz PIQCGXBICNDVLJ-UHFFFAOYSA-N 1 3 225.311 1.586 20 0 BDADHO C[C@H]1C[N@@H+]([C@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC001246542523 972584941 /nfs/dbraw/zinc/58/49/41/972584941.db2.gz QBENWURXWAKFGV-QCNOEVLYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1C[N@H+]([C@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC001246542523 972584948 /nfs/dbraw/zinc/58/49/48/972584948.db2.gz QBENWURXWAKFGV-QCNOEVLYSA-N 1 3 212.337 1.081 20 0 BDADHO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543607 972601214 /nfs/dbraw/zinc/60/12/14/972601214.db2.gz UYSXYBCGUWJJJO-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO CC[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246543607 972601224 /nfs/dbraw/zinc/60/12/24/972601224.db2.gz UYSXYBCGUWJJJO-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO [NH3+]C[C@H]1CN([C@@H]2CCCOCC2)CCC1(F)F ZINC001246553712 972743732 /nfs/dbraw/zinc/74/37/32/972743732.db2.gz BXTBTPLJROKTBQ-WDEREUQCSA-N 1 3 248.317 1.471 20 0 BDADHO C[NH2+][C@@H](C)CCN[C@H](COC)CC(C)C ZINC001327838380 972755364 /nfs/dbraw/zinc/75/53/64/972755364.db2.gz GHWYAIGLIIKIPT-RYUDHWBXSA-N 1 3 216.369 1.635 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CCN1 ZINC001246566036 972807260 /nfs/dbraw/zinc/80/72/60/972807260.db2.gz RJPDQIQJFHSFCG-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@](C)(O)C2)CCN1 ZINC001246566036 972807261 /nfs/dbraw/zinc/80/72/61/972807261.db2.gz RJPDQIQJFHSFCG-LPWJVIDDSA-N 1 3 226.364 1.220 20 0 BDADHO O[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1F ZINC001246572911 972860706 /nfs/dbraw/zinc/86/07/06/972860706.db2.gz DPDGYIHCEKHQEF-RSMQCKGYSA-N 1 3 242.338 1.064 20 0 BDADHO O[C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC001246572865 972861162 /nfs/dbraw/zinc/86/11/62/972861162.db2.gz DPDGYIHCEKHQEF-KTCIRNNBSA-N 1 3 242.338 1.064 20 0 BDADHO O[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1F ZINC001246572889 972862897 /nfs/dbraw/zinc/86/28/97/972862897.db2.gz DPDGYIHCEKHQEF-NRUFJFEESA-N 1 3 242.338 1.064 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581345 972946166 /nfs/dbraw/zinc/94/61/66/972946166.db2.gz JEBXRSMYDNDRSW-FUDCBSFHSA-N 1 3 236.359 1.533 20 0 BDADHO NC[C@@H]1CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001246581345 972946177 /nfs/dbraw/zinc/94/61/77/972946177.db2.gz JEBXRSMYDNDRSW-FUDCBSFHSA-N 1 3 236.359 1.533 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2CCCC[C@H](CN)C2)CCO1 ZINC001246584221 972957654 /nfs/dbraw/zinc/95/76/54/972957654.db2.gz TWZWUSTYZDPACN-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2CCCC[C@H](CN)C2)CCO1 ZINC001246584221 972957669 /nfs/dbraw/zinc/95/76/69/972957669.db2.gz TWZWUSTYZDPACN-XQQFMLRXSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]1C[C@H](N2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC[NH2+]1 ZINC001246670082 973075347 /nfs/dbraw/zinc/07/53/47/973075347.db2.gz WFFAZSYEPLDAFS-ZDCRXTMVSA-N 1 3 246.301 1.093 20 0 BDADHO CCCCN1CCN([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246793411 973093981 /nfs/dbraw/zinc/09/39/81/973093981.db2.gz YQUDHPMQXLIMPG-ZIAGYGMSSA-N 1 3 239.407 1.545 20 0 BDADHO CCCN(C)CC(=O)NCc1ccccc1C[NH3+] ZINC001328592645 973173056 /nfs/dbraw/zinc/17/30/56/973173056.db2.gz ZHKNWHPLEKYBLI-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN[C@@H](C)C1 ZINC001246875727 973312063 /nfs/dbraw/zinc/31/20/63/973312063.db2.gz LIWMOJBHNZBWTM-VJBQPNPTSA-N 1 3 238.375 1.769 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN[C@@H](C)C1 ZINC001246875727 973312077 /nfs/dbraw/zinc/31/20/77/973312077.db2.gz LIWMOJBHNZBWTM-VJBQPNPTSA-N 1 3 238.375 1.769 20 0 BDADHO C1CN([C@@H]2CC[NH2+]C3(CCCCC3)C2)CN1 ZINC001246991000 973772974 /nfs/dbraw/zinc/77/29/74/973772974.db2.gz JYOSVRIUPKHJIM-GFCCVEGCSA-N 1 3 223.364 1.304 20 0 BDADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](O)C2)CC1(C)C ZINC001171629849 974108548 /nfs/dbraw/zinc/10/85/48/974108548.db2.gz XBYIVFHPYLCFPU-GFCCVEGCSA-N 1 3 240.391 1.704 20 0 BDADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](O)C2)CC1(C)C ZINC001171629849 974108552 /nfs/dbraw/zinc/10/85/52/974108552.db2.gz XBYIVFHPYLCFPU-GFCCVEGCSA-N 1 3 240.391 1.704 20 0 BDADHO CN1C(C)(C)CC([NH2+]CCCO)CC1(C)C ZINC001171619247 974111961 /nfs/dbraw/zinc/11/19/61/974111961.db2.gz ZSIYNLNKLPFBCW-UHFFFAOYSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](CO)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171618004 974115932 /nfs/dbraw/zinc/11/59/32/974115932.db2.gz TZJAWRAZBLSJFE-SNVBAGLBSA-N 1 3 228.380 1.608 20 0 BDADHO C[C@H](CO)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171618004 974115945 /nfs/dbraw/zinc/11/59/45/974115945.db2.gz TZJAWRAZBLSJFE-SNVBAGLBSA-N 1 3 228.380 1.608 20 0 BDADHO CCN1CC[C@@H]([NH2+]C(C)(C)C(C)(C)N)CC1=O ZINC001172031229 974300527 /nfs/dbraw/zinc/30/05/27/974300527.db2.gz HRAMDPCCSIMXLA-SNVBAGLBSA-N 1 3 241.379 1.103 20 0 BDADHO N[C@@H]1CC[N@H+](Cc2ccc[nH]2)CC[C@@H]1F ZINC001206155595 974328363 /nfs/dbraw/zinc/32/83/63/974328363.db2.gz MODYWXHOCALZML-WDEREUQCSA-N 1 3 211.284 1.276 20 0 BDADHO N[C@@H]1CC[N@@H+](Cc2ccc[nH]2)CC[C@@H]1F ZINC001206155595 974328367 /nfs/dbraw/zinc/32/83/67/974328367.db2.gz MODYWXHOCALZML-WDEREUQCSA-N 1 3 211.284 1.276 20 0 BDADHO C[C@H]1COCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121028 974388322 /nfs/dbraw/zinc/38/83/22/974388322.db2.gz ODSDQOGAHLNEAA-FQUUOJAGSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H]1COCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172121028 974388330 /nfs/dbraw/zinc/38/83/30/974388330.db2.gz ODSDQOGAHLNEAA-FQUUOJAGSA-N 1 3 238.375 1.722 20 0 BDADHO N[C@@H]1CC[N@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163526 974490138 /nfs/dbraw/zinc/49/01/38/974490138.db2.gz DEMOOEZOKVEPQP-QWHCGFSZSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)CC[C@@H]1F ZINC001206163526 974490141 /nfs/dbraw/zinc/49/01/41/974490141.db2.gz DEMOOEZOKVEPQP-QWHCGFSZSA-N 1 3 238.306 1.653 20 0 BDADHO CN1CC[C@H]([NH2+]CCCN2CCC2)CC1(C)C ZINC001331503654 974742467 /nfs/dbraw/zinc/74/24/67/974742467.db2.gz KIJFRQIBUNUFCL-ZDUSSCGKSA-N 1 3 239.407 1.545 20 0 BDADHO Cc1ccncc1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206173583 974901215 /nfs/dbraw/zinc/90/12/15/974901215.db2.gz IKGHEKKVVCVLSV-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ccncc1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206173583 974901221 /nfs/dbraw/zinc/90/12/21/974901221.db2.gz IKGHEKKVVCVLSV-QWHCGFSZSA-N 1 3 237.322 1.651 20 0 BDADHO Nc1cc(OC2CC[NH+](C3CC3)CC2)ccn1 ZINC001226656585 975004333 /nfs/dbraw/zinc/00/43/33/975004333.db2.gz LRJIRLPWQLGLHK-UHFFFAOYSA-N 1 3 233.315 1.669 20 0 BDADHO [NH3+]C1CC(N[C@H]2CCc3ncsc3C2)C1 ZINC001173140231 975044189 /nfs/dbraw/zinc/04/41/89/975044189.db2.gz JKOGWGWBUSISHP-MGURRDGZSA-N 1 3 223.345 1.080 20 0 BDADHO CCc1ccc(C[C@@H](C)NC[C@H](O)C[NH3+])cc1 ZINC001173239249 975166155 /nfs/dbraw/zinc/16/61/55/975166155.db2.gz PCFDDHHBDCUQJZ-BXUZGUMPSA-N 1 3 236.359 1.089 20 0 BDADHO CCN1CC[C@H]([NH2+]C(C)(C)CCN(C)C)C1 ZINC001173355717 975311241 /nfs/dbraw/zinc/31/12/41/975311241.db2.gz UTKGWRGXSPEARF-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO Cc1ccc([C@@H](O)CNC[C@H]2CC[N@@H+](C)C2)cc1 ZINC001335350256 976986580 /nfs/dbraw/zinc/98/65/80/976986580.db2.gz FODUYLFWISAGFX-HIFRSBDPSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1ccc([C@@H](O)CNC[C@H]2CC[N@H+](C)C2)cc1 ZINC001335350256 976986589 /nfs/dbraw/zinc/98/65/89/976986589.db2.gz FODUYLFWISAGFX-HIFRSBDPSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1ccc([C@H](O)CNC[C@H]2CC[N@@H+](C)C2)cc1 ZINC001335350257 976987614 /nfs/dbraw/zinc/98/76/14/976987614.db2.gz FODUYLFWISAGFX-UKRRQHHQSA-N 1 3 248.370 1.570 20 0 BDADHO Cc1ccc([C@H](O)CNC[C@H]2CC[N@H+](C)C2)cc1 ZINC001335350257 976987626 /nfs/dbraw/zinc/98/76/26/976987626.db2.gz FODUYLFWISAGFX-UKRRQHHQSA-N 1 3 248.370 1.570 20 0 BDADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC001335428044 977049305 /nfs/dbraw/zinc/04/93/05/977049305.db2.gz ATQFONHLUXGEKY-YPMHNXCESA-N 1 3 226.364 1.079 20 0 BDADHO C[NH+](C)[C@H]1CCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001232010808 977840459 /nfs/dbraw/zinc/84/04/59/977840459.db2.gz BZKWFEXHVQTNTL-ZDUSSCGKSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@@H]1CN(c2cc[nH+]cc2)[C@H](C)CN1C ZINC001337708077 978468036 /nfs/dbraw/zinc/46/80/36/978468036.db2.gz CQXWDCDAUDBOMP-GHMZBOCLSA-N 1 3 205.305 1.610 20 0 BDADHO O[C@@H]1CCC[C@@H]1N1CCN(c2cc[nH+]cc2)CC1 ZINC001339450808 978853116 /nfs/dbraw/zinc/85/31/16/978853116.db2.gz LSLKVFAQAQPQFK-UONOGXRCSA-N 1 3 247.342 1.117 20 0 BDADHO C[C@H](N)C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088696 978973101 /nfs/dbraw/zinc/97/31/01/978973101.db2.gz KQECVAUKFDBDEA-XHNCKOQMSA-N 1 3 204.264 1.311 20 0 BDADHO C[C@H](N)C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235088696 978973108 /nfs/dbraw/zinc/97/31/08/978973108.db2.gz KQECVAUKFDBDEA-XHNCKOQMSA-N 1 3 204.264 1.311 20 0 BDADHO [NH3+][C@@]12C[C@@H]1CN(Cc1cc3c[nH]ccc-3n1)C2 ZINC001236032154 979329447 /nfs/dbraw/zinc/32/94/47/979329447.db2.gz VFVILTMVQRDSCB-ZWNOBZJWSA-N 1 3 228.299 1.096 20 0 BDADHO [NH3+][C@@]12C[C@@H]1CN(Cc1cc3cnccc3[nH]1)C2 ZINC001236032154 979329459 /nfs/dbraw/zinc/32/94/59/979329459.db2.gz VFVILTMVQRDSCB-ZWNOBZJWSA-N 1 3 228.299 1.096 20 0 BDADHO CC(C)N1CCC[C@H]1C(=O)N(C)CC(C)(C)[NH3+] ZINC001341336957 979342033 /nfs/dbraw/zinc/34/20/33/979342033.db2.gz LLZLRIGYUNNZOC-NSHDSACASA-N 1 3 241.379 1.055 20 0 BDADHO [NH3+]CCCCN1CCc2cccnc2C1 ZINC001236062864 979353010 /nfs/dbraw/zinc/35/30/10/979353010.db2.gz CGSNUHBWFZQBAL-UHFFFAOYSA-N 1 3 205.305 1.179 20 0 BDADHO C[C@]1(C[NH3+])CCCCN(C[C@@H]2CCCO2)C1 ZINC001206542138 979650019 /nfs/dbraw/zinc/65/00/19/979650019.db2.gz SETURLQEQVSHPP-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C(C)C)N(C)C ZINC001277986666 979673212 /nfs/dbraw/zinc/67/32/12/979673212.db2.gz BHZYKJAMAUNMIY-RYUDHWBXSA-N 1 3 243.395 1.172 20 0 BDADHO CC[N@H+]1C[C@H]2CN(CCCCCO)C[C@H]2C1 ZINC001236950269 979797827 /nfs/dbraw/zinc/79/78/27/979797827.db2.gz KXQVLVSFHHIKDX-BETUJISGSA-N 1 3 226.364 1.033 20 0 BDADHO CC[N@@H+]1C[C@H]2CN(CCCCCO)C[C@H]2C1 ZINC001236950269 979797831 /nfs/dbraw/zinc/79/78/31/979797831.db2.gz KXQVLVSFHHIKDX-BETUJISGSA-N 1 3 226.364 1.033 20 0 BDADHO C1=C2NCCN(C[C@@H]3CCC[NH2+]C3)[C@H]2CCC1 ZINC001237218588 979847464 /nfs/dbraw/zinc/84/74/64/979847464.db2.gz JJUUGQGLLSOTQH-OCCSQVGLSA-N 1 3 235.375 1.328 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001237457625 979903502 /nfs/dbraw/zinc/90/35/02/979903502.db2.gz YEDSVAZYOZFXPL-RWMBFGLXSA-N 1 3 243.370 1.232 20 0 BDADHO NCc1cccc(C2=CCC[NH2+]CC2)n1 ZINC001238936042 980370700 /nfs/dbraw/zinc/37/07/00/980370700.db2.gz KQOXMDSVLGRZMG-UHFFFAOYSA-N 1 3 203.289 1.307 20 0 BDADHO OC[C@@H]1CCCCN1C[C@H]1CCCC[NH2+]C1 ZINC001580882253 981684714 /nfs/dbraw/zinc/68/47/14/981684714.db2.gz PSCMJTHVVYCIDQ-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO NCc1cc(C=C2CC[NH2+]CC2)ccn1 ZINC001240876629 981925291 /nfs/dbraw/zinc/92/52/91/981925291.db2.gz AFQJIXXDTWXLLQ-UHFFFAOYSA-N 1 3 203.289 1.307 20 0 BDADHO CC1=C[C@H](C)[C@@H](CN2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205947183 983659638 /nfs/dbraw/zinc/65/96/38/983659638.db2.gz YHSBPCTUSIXWRV-REWJHTLYSA-N 1 3 238.375 1.373 20 0 BDADHO CCN(CC)C[C@H](O)C[N@@H+]1CC[C@](C)(CF)C1 ZINC001253180991 984013871 /nfs/dbraw/zinc/01/38/71/984013871.db2.gz NHRODVXYKGCABD-QWHCGFSZSA-N 1 3 246.370 1.371 20 0 BDADHO CCCN(C)CC(=O)NCC[N@H+](C)CC(C)C ZINC001492823879 984029375 /nfs/dbraw/zinc/02/93/75/984029375.db2.gz JTTJVMOSHKPXRC-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO CCCN(C)CC(=O)NCC[N@@H+](C)CC(C)C ZINC001492823879 984029386 /nfs/dbraw/zinc/02/93/86/984029386.db2.gz JTTJVMOSHKPXRC-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO CC(C)(C)CC[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384038 984139102 /nfs/dbraw/zinc/13/91/02/984139102.db2.gz MRUHRGFGUHBMLZ-NSHDSACASA-N 1 3 230.396 1.761 20 0 BDADHO CC(C)(C)CCNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253384038 984139116 /nfs/dbraw/zinc/13/91/16/984139116.db2.gz MRUHRGFGUHBMLZ-NSHDSACASA-N 1 3 230.396 1.761 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620858 984216124 /nfs/dbraw/zinc/21/61/24/984216124.db2.gz ADPWIDQWXMLFLZ-YPMHNXCESA-N 1 3 228.380 1.325 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC001578620858 984216132 /nfs/dbraw/zinc/21/61/32/984216132.db2.gz ADPWIDQWXMLFLZ-YPMHNXCESA-N 1 3 228.380 1.325 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](N)C2)[C@@H]1C ZINC001578803598 984230089 /nfs/dbraw/zinc/23/00/89/984230089.db2.gz UMECZCCYLKXHRI-ROHXPCBUSA-N 1 3 240.347 1.044 20 0 BDADHO C[NH2+]Cc1ccc(-c2ccnc(CN)c2)cc1 ZINC001242992866 984356195 /nfs/dbraw/zinc/35/61/95/984356195.db2.gz ZFBXHHVPSNGTFG-UHFFFAOYSA-N 1 3 227.311 1.927 20 0 BDADHO CCOC(=O)C(CC)(CC)CNCC1C[NH2+]C1 ZINC001577908197 984818114 /nfs/dbraw/zinc/81/81/14/984818114.db2.gz CIGTXFUTQWHORO-UHFFFAOYSA-N 1 3 242.363 1.165 20 0 BDADHO CCOC(=O)CC(C)(C)C[NH2+][C@H]1C[C@H](N)C1 ZINC001577939925 984823115 /nfs/dbraw/zinc/82/31/15/984823115.db2.gz VWOQJDCOXLUWDW-MGCOHNPYSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@@H](NC(C)(C)C[NH3+])C1 ZINC001257034653 984847792 /nfs/dbraw/zinc/84/77/92/984847792.db2.gz XSBCYLKHYPCFGZ-NXEZZACHSA-N 1 3 228.336 1.045 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1NC1CC([NH3+])C1 ZINC001578149032 984859477 /nfs/dbraw/zinc/85/94/77/984859477.db2.gz RVWMHMBLQWVFAQ-KIDURHIOSA-N 1 3 212.337 1.413 20 0 BDADHO CCO[C@@H]1CCC[C@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC001578151302 984859619 /nfs/dbraw/zinc/85/96/19/984859619.db2.gz BCDUYNLSABAWBE-UMSGYPCISA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@@H]1OCC[C@H]1NC[C@H]([NH3+])CC(F)(F)F ZINC001578229140 984878865 /nfs/dbraw/zinc/87/88/65/984878865.db2.gz WCJRTHHRPRYJMP-HLTSFMKQSA-N 1 3 240.269 1.423 20 0 BDADHO CO[C@@H]1CC[C@H](C)N(C[C@H]2CC[NH2+]C2)C1 ZINC000687189788 985255565 /nfs/dbraw/zinc/25/55/65/985255565.db2.gz AUTGLLVQBHUIFF-SDDRHHMPSA-N 1 3 212.337 1.095 20 0 BDADHO C[NH2+]C[C@@H](O)CN1CCC[C@H](CC(C)C)C1 ZINC001578653846 985269949 /nfs/dbraw/zinc/26/99/49/985269949.db2.gz FBKYTSHSFJFTEZ-CHWSQXEVSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]CCCNC(C)(C)[C@H]1CCCCO1 ZINC001578686841 985300158 /nfs/dbraw/zinc/30/01/58/985300158.db2.gz PBFXIOZRUJZIGT-LLVKDONJSA-N 1 3 214.353 1.533 20 0 BDADHO COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@H]1C[C@H](N)C1 ZINC001578797236 985370872 /nfs/dbraw/zinc/37/08/72/985370872.db2.gz KSPVHMZMJDZTOE-DCAQKATOSA-N 1 3 242.363 1.434 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[NH2+]C[C@H](C)CN ZINC001258113600 985421777 /nfs/dbraw/zinc/42/17/77/985421777.db2.gz WTFYIANTQHUOGH-GHMZBOCLSA-N 1 3 230.352 1.293 20 0 BDADHO CO[C@](C)(CO)C[NH2+]C[C@H](N)CCC(C)(C)C ZINC001578896296 985476022 /nfs/dbraw/zinc/47/60/22/985476022.db2.gz LLFYNPJJYMLLCF-YPMHNXCESA-N 1 3 246.395 1.127 20 0 BDADHO CO[C@@](C)(CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC001578897670 985477294 /nfs/dbraw/zinc/47/72/94/985477294.db2.gz NAPKODSKLMGCHT-RDBSUJKOSA-N 1 3 238.375 1.343 20 0 BDADHO COCC[C@@H](N)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001579000028 985648799 /nfs/dbraw/zinc/64/87/99/985648799.db2.gz NCZCENCHHOATNN-HIFRSBDPSA-N 1 3 248.370 1.970 20 0 BDADHO COCC[C@@H](N)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001579000028 985648807 /nfs/dbraw/zinc/64/88/07/985648807.db2.gz NCZCENCHHOATNN-HIFRSBDPSA-N 1 3 248.370 1.970 20 0 BDADHO COc1cccc(C[C@H](C)NC(C)(C)C[NH3+])n1 ZINC001579269129 985825830 /nfs/dbraw/zinc/82/58/30/985825830.db2.gz NQGDCQFEACBLKC-JTQLQIEISA-N 1 3 237.347 1.348 20 0 BDADHO COC(=O)CC[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC001258355902 985836229 /nfs/dbraw/zinc/83/62/29/985836229.db2.gz LRXDFKYNJPPJNG-NWDGAFQWSA-N 1 3 242.363 1.402 20 0 BDADHO COc1ccncc1CNC1CC2(C[C@H]2[NH3+])C1 ZINC001579319686 985836753 /nfs/dbraw/zinc/83/67/53/985836753.db2.gz UOGADXDACRYQDM-YXMLORGKSA-N 1 3 233.315 1.060 20 0 BDADHO CSCC[N@@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001579374952 985864396 /nfs/dbraw/zinc/86/43/96/985864396.db2.gz ZVIXDOYDHIEZOT-NEPJUHHUSA-N 1 3 228.405 1.800 20 0 BDADHO CSCC[N@H+]1C[C@H]2CCCC[C@]2(CN)C1 ZINC001579374952 985864404 /nfs/dbraw/zinc/86/44/04/985864404.db2.gz ZVIXDOYDHIEZOT-NEPJUHHUSA-N 1 3 228.405 1.800 20 0 BDADHO C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H](C)C1=O ZINC001579440204 985930096 /nfs/dbraw/zinc/93/00/96/985930096.db2.gz PTPUXARPLPMBSV-GHMZBOCLSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001579467502 985966330 /nfs/dbraw/zinc/96/63/30/985966330.db2.gz KNMRWHCGWASXBT-UJPOAAIJSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]1NCC[C@@H]1[NH2+]C1CCC2(CCCO2)CC1 ZINC001579505301 986051037 /nfs/dbraw/zinc/05/10/37/986051037.db2.gz UPEMEBHYOOYHIN-ZIHBUVQPSA-N 1 3 238.375 1.818 20 0 BDADHO Cc1ccc(C[C@H](C)NC[C@@]2(O)CC[NH2+]C2)cc1 ZINC001579684734 986175590 /nfs/dbraw/zinc/17/55/90/986175590.db2.gz QVSKFKBDVYEDMW-DZGCQCFKSA-N 1 3 248.370 1.240 20 0 BDADHO Cc1nccnc1[C@@H](C)NC1CC2(C[C@H]2[NH3+])C1 ZINC001579882586 986301429 /nfs/dbraw/zinc/30/14/29/986301429.db2.gz AQDZXCMIKXKIKS-YLXHPXFOSA-N 1 3 232.331 1.315 20 0 BDADHO Cc1nnsc1CNC1CC2(CC([NH3+])C2)C1 ZINC001579915192 986330081 /nfs/dbraw/zinc/33/00/81/986330081.db2.gz HFQVJYYXLOGXFA-UHFFFAOYSA-N 1 3 238.360 1.206 20 0 BDADHO Cc1nocc1CNC1CC2(CC([NH3+])C2)C1 ZINC001579923053 986344216 /nfs/dbraw/zinc/34/42/16/986344216.db2.gz DWWXMSOXFMRSSG-UHFFFAOYSA-N 1 3 221.304 1.343 20 0 BDADHO CCO[C@H](CNCCSC(C)C)C[NH+](C)C ZINC001462573106 986433694 /nfs/dbraw/zinc/43/36/94/986433694.db2.gz KXLITFGAYAFAMF-GFCCVEGCSA-N 1 3 248.436 1.684 20 0 BDADHO NCC1(C[NH2+][C@@H](CCO)Cc2ccccc2)CC1 ZINC001580243311 986696631 /nfs/dbraw/zinc/69/66/31/986696631.db2.gz BJOXTIBYFLTBGE-AWEZNQCLSA-N 1 3 248.370 1.309 20 0 BDADHO [NH3+]CC1(CN[C@@H](CCO)Cc2ccccc2)CC1 ZINC001580243311 986696644 /nfs/dbraw/zinc/69/66/44/986696644.db2.gz BJOXTIBYFLTBGE-AWEZNQCLSA-N 1 3 248.370 1.309 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)C1 ZINC001580423031 986842405 /nfs/dbraw/zinc/84/24/05/986842405.db2.gz MOKDWOPEJYVHBV-MLGHIDQZSA-N 1 3 224.348 1.271 20 0 BDADHO c1nn(C2CC[NH+](C3CC3)CC2)c2c1CNCC2 ZINC001256075818 987127897 /nfs/dbraw/zinc/12/78/97/987127897.db2.gz RPSFJFNDJQNUMX-UHFFFAOYSA-N 1 3 246.358 1.328 20 0 BDADHO CCC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245974547 987249187 /nfs/dbraw/zinc/24/91/87/987249187.db2.gz LTYOGHWLTPKEJQ-JTQLQIEISA-N 1 3 200.326 1.009 20 0 BDADHO CCC[C@H](O)CNCC1([NH3+])CCCC1 ZINC001245974547 987249195 /nfs/dbraw/zinc/24/91/95/987249195.db2.gz LTYOGHWLTPKEJQ-JTQLQIEISA-N 1 3 200.326 1.009 20 0 BDADHO CCCCC[C@H](O)CNC[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245974334 987252751 /nfs/dbraw/zinc/25/27/51/987252751.db2.gz MFLLGOSXYJEBBV-MCIONIFRSA-N 1 3 242.407 1.905 20 0 BDADHO [NH3+][C@H]1CCCN(C[C@H](O)c2ccccc2)CC1 ZINC001246017019 987300486 /nfs/dbraw/zinc/30/04/86/987300486.db2.gz PRHQDNGGTXOQGI-KBPBESRZSA-N 1 3 234.343 1.533 20 0 BDADHO CC[C@H](O)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693704872 987312882 /nfs/dbraw/zinc/31/28/82/987312882.db2.gz MBXLVFHTGRAIJT-QNWHQSFQSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@H](O)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693704872 987312887 /nfs/dbraw/zinc/31/28/87/987312887.db2.gz MBXLVFHTGRAIJT-QNWHQSFQSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246022893 987313545 /nfs/dbraw/zinc/31/35/45/987313545.db2.gz PWUXJIQTMQKBJA-VXGBXAGGSA-N 1 3 214.353 1.208 20 0 BDADHO CC[C@@H](O)C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246022893 987313551 /nfs/dbraw/zinc/31/35/51/987313551.db2.gz PWUXJIQTMQKBJA-VXGBXAGGSA-N 1 3 214.353 1.208 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH3+])N(C[C@@H](O)C(C)(C)C)C1 ZINC001246023351 987313673 /nfs/dbraw/zinc/31/36/73/987313673.db2.gz POFYMBKXUNEIED-GRYCIOLGSA-N 1 3 228.380 1.453 20 0 BDADHO NC[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862478 987365310 /nfs/dbraw/zinc/36/53/10/987365310.db2.gz MRUMHBDZVVHTKG-FVCCEPFGSA-N 1 3 208.349 1.703 20 0 BDADHO NC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000697862478 987365316 /nfs/dbraw/zinc/36/53/16/987365316.db2.gz MRUMHBDZVVHTKG-FVCCEPFGSA-N 1 3 208.349 1.703 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[NH2+]C1CCNCC1 ZINC001246077190 987369406 /nfs/dbraw/zinc/36/94/06/987369406.db2.gz IFVPNTRKJSBQMY-LLVKDONJSA-N 1 3 242.363 1.450 20 0 BDADHO C[C@H]1CC[C@H](N[C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C[NH2+]1 ZINC001246079293 987371720 /nfs/dbraw/zinc/37/17/20/987371720.db2.gz JRRSHJGFIZULRQ-IEECTRCBSA-N 1 3 236.359 1.474 20 0 BDADHO CC(C)CC[C@@H](C)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246083863 987380999 /nfs/dbraw/zinc/38/09/99/987380999.db2.gz PZSUTQSKXFMSLU-FRRDWIJNSA-N 1 3 246.370 1.463 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C2(C)CCOCC2)CCN1 ZINC001246088226 987390533 /nfs/dbraw/zinc/39/05/33/987390533.db2.gz SPUUQGMZBAXMQM-MNOVXSKESA-N 1 3 212.337 1.286 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246089407 987393028 /nfs/dbraw/zinc/39/30/28/987393028.db2.gz CUGLZIUCMOGRMQ-SRVKXCTJSA-N 1 3 242.363 1.306 20 0 BDADHO CC[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089386 987393082 /nfs/dbraw/zinc/39/30/82/987393082.db2.gz PNNUVZNVPPVEHU-QNWHQSFQSA-N 1 3 244.354 1.217 20 0 BDADHO C[C@H]1CC[C@H](NC[C@@H]2CCC[C@H]2F)C[NH2+]1 ZINC001246090968 987396607 /nfs/dbraw/zinc/39/66/07/987396607.db2.gz CHFVDHNADLMSLW-FIQHERPVSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CCN1 ZINC001246095745 987404516 /nfs/dbraw/zinc/40/45/16/987404516.db2.gz RNXMAAPKBCVGHC-IRCOFANPSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001473379893 987408342 /nfs/dbraw/zinc/40/83/42/987408342.db2.gz NLQWWCTVDDKTRE-SDDRHHMPSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001473379893 987408351 /nfs/dbraw/zinc/40/83/51/987408351.db2.gz NLQWWCTVDDKTRE-SDDRHHMPSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H](O)[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001473379893 987408355 /nfs/dbraw/zinc/40/83/55/987408355.db2.gz NLQWWCTVDDKTRE-SDDRHHMPSA-N 1 3 214.353 1.172 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2F)CCN1 ZINC001246101018 987425473 /nfs/dbraw/zinc/42/54/73/987425473.db2.gz YNGZDBQYGCWQOJ-NNYUYHANSA-N 1 3 214.328 1.855 20 0 BDADHO CC[C@H](C)OCC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246102993 987426400 /nfs/dbraw/zinc/42/64/00/987426400.db2.gz XUKFDXXLACDIIX-CYDGBPFRSA-N 1 3 246.370 1.870 20 0 BDADHO CCOCC[C@@H](C)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001246112133 987445856 /nfs/dbraw/zinc/44/58/56/987445856.db2.gz PVEKIOMWNXCFIQ-VWYCJHECSA-N 1 3 218.316 1.091 20 0 BDADHO C[C@@H](N)c1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC001246121888 987469962 /nfs/dbraw/zinc/46/99/62/987469962.db2.gz UYTBTCKRFYUYIB-MNOVXSKESA-N 1 3 244.342 1.981 20 0 BDADHO CCCCC[C@@H](C)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246151076 987511674 /nfs/dbraw/zinc/51/16/74/987511674.db2.gz VTRYNLPCUWXSEY-MQYQWHSLSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCc2ccncc2)CCN1 ZINC001246176247 987541220 /nfs/dbraw/zinc/54/12/20/987541220.db2.gz NUQDSWOGAVPHQO-GXTWGEPZSA-N 1 3 233.359 1.744 20 0 BDADHO CC[C@@H](CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1)OC ZINC001473844082 987582527 /nfs/dbraw/zinc/58/25/27/987582527.db2.gz TZTNIYBNPTYWQI-AGIUHOORSA-N 1 3 226.364 1.295 20 0 BDADHO CC[C@@H](CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1)OC ZINC001473844082 987582548 /nfs/dbraw/zinc/58/25/48/987582548.db2.gz TZTNIYBNPTYWQI-AGIUHOORSA-N 1 3 226.364 1.295 20 0 BDADHO COC(=O)CCCCCN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246199838 987596103 /nfs/dbraw/zinc/59/61/03/987596103.db2.gz LKUOWBQVGLUPBA-NEPJUHHUSA-N 1 3 242.363 1.450 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C2CCC(=O)CC2)CCN1 ZINC001246229088 987624988 /nfs/dbraw/zinc/62/49/88/987624988.db2.gz KBAVBKPZJHGTET-GXSJLCMTSA-N 1 3 210.321 1.228 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2CCC(=O)CC2)CCN1 ZINC001246229094 987626625 /nfs/dbraw/zinc/62/66/25/987626625.db2.gz KBAVBKPZJHGTET-ONGXEEELSA-N 1 3 210.321 1.228 20 0 BDADHO CCOC(=O)C1(C[NH2+]C2CCNCC2)CCC1 ZINC001246269024 987663377 /nfs/dbraw/zinc/66/33/77/987663377.db2.gz ARZNJAQQDBUUJF-UHFFFAOYSA-N 1 3 240.347 1.061 20 0 BDADHO CCOC(=O)C1(CNC2CC[NH2+]CC2)CCC1 ZINC001246269024 987663381 /nfs/dbraw/zinc/66/33/81/987663381.db2.gz ARZNJAQQDBUUJF-UHFFFAOYSA-N 1 3 240.347 1.061 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccccn1 ZINC001246304283 987701271 /nfs/dbraw/zinc/70/12/71/987701271.db2.gz LEOXQXSGZBAULD-QWRGUYRKSA-N 1 3 207.321 1.340 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246324686 987730513 /nfs/dbraw/zinc/73/05/13/987730513.db2.gz ZFSYOJJBWHHEHW-ZWNOBZJWSA-N 1 3 236.363 1.607 20 0 BDADHO C1C[C@H]2CC(N[C@@H]3CCC[NH2+]C3)C[C@@H]1O2 ZINC001246355838 987765790 /nfs/dbraw/zinc/76/57/90/987765790.db2.gz DZRJJKDGPSGXLK-WAAKLRNESA-N 1 3 210.321 1.038 20 0 BDADHO C1=C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC001246408296 987786244 /nfs/dbraw/zinc/78/62/44/987786244.db2.gz QQFPWQNNVIZVNP-ACJTYDJDSA-N 1 3 206.333 1.968 20 0 BDADHO CCC1([NH2+][C@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246441246 987798942 /nfs/dbraw/zinc/79/89/42/987798942.db2.gz LOQYJJRYHNJYOR-NEPJUHHUSA-N 1 3 226.364 1.676 20 0 BDADHO CCCOC1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246445834 987802920 /nfs/dbraw/zinc/80/29/20/987802920.db2.gz PYOGQCSVJIRPNK-BPCQOVAHSA-N 1 3 238.375 1.676 20 0 BDADHO CCCOC1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246445834 987802927 /nfs/dbraw/zinc/80/29/27/987802927.db2.gz PYOGQCSVJIRPNK-BPCQOVAHSA-N 1 3 238.375 1.676 20 0 BDADHO CC1(C)CC(N[C@@H]2CC23C[NH2+]C3)CC(C)(C)O1 ZINC001246446689 987805730 /nfs/dbraw/zinc/80/57/30/987805730.db2.gz SVSAMQMUKOGOST-LLVKDONJSA-N 1 3 238.375 1.674 20 0 BDADHO CC1(C)CC([NH2+][C@@H]2CC23CNC3)CC(C)(C)O1 ZINC001246446689 987805735 /nfs/dbraw/zinc/80/57/35/987805735.db2.gz SVSAMQMUKOGOST-LLVKDONJSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@]2(C)CC[C@H](O)CC2)C[NH2+]1 ZINC001246460852 987818911 /nfs/dbraw/zinc/81/89/11/987818911.db2.gz KFOHMPZZMRTUFA-FDYHWXHSSA-N 1 3 226.364 1.410 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@]2(C)CCCOC2)CC[NH2+]1 ZINC001246511779 987862238 /nfs/dbraw/zinc/86/22/38/987862238.db2.gz RRXYHFOAHIDQBU-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@]2(C)CCCOC2)CCN1 ZINC001246511779 987862240 /nfs/dbraw/zinc/86/22/40/987862240.db2.gz RRXYHFOAHIDQBU-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)CCC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246573684 988071678 /nfs/dbraw/zinc/07/16/78/988071678.db2.gz ZBNYGPBGXZQUPH-JHJVBQTASA-N 1 3 228.380 1.595 20 0 BDADHO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573684 988071696 /nfs/dbraw/zinc/07/16/96/988071696.db2.gz ZBNYGPBGXZQUPH-JHJVBQTASA-N 1 3 228.380 1.595 20 0 BDADHO CC(C)CCC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246573684 988071708 /nfs/dbraw/zinc/07/17/08/988071708.db2.gz ZBNYGPBGXZQUPH-JHJVBQTASA-N 1 3 228.380 1.595 20 0 BDADHO O[C@@H]1CCCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574847 988085635 /nfs/dbraw/zinc/08/56/35/988085635.db2.gz LCOFCLGNVKERDW-ZGVCCVRISA-N 1 3 224.348 1.116 20 0 BDADHO CCCCCC[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246578627 988096010 /nfs/dbraw/zinc/09/60/10/988096010.db2.gz GTCPLXZXBROAEL-MELADBBJSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246578627 988096022 /nfs/dbraw/zinc/09/60/22/988096022.db2.gz GTCPLXZXBROAEL-MELADBBJSA-N 1 3 242.407 1.987 20 0 BDADHO CCCC[NH2+]CCN(C)C(=O)[C@H](CC)N(C)C ZINC001493762321 988115090 /nfs/dbraw/zinc/11/50/90/988115090.db2.gz BKZZCBGHEVZZFK-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582406 988115327 /nfs/dbraw/zinc/11/53/27/988115327.db2.gz XQTIKJSSXCLNDE-SRVKXCTJSA-N 1 3 214.353 1.207 20 0 BDADHO CCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582406 988115330 /nfs/dbraw/zinc/11/53/30/988115330.db2.gz XQTIKJSSXCLNDE-SRVKXCTJSA-N 1 3 214.353 1.207 20 0 BDADHO NC[C@@H]1CCCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582932 988120751 /nfs/dbraw/zinc/12/07/51/988120751.db2.gz PEWYGZUSMMTXEM-WUHRBBMRSA-N 1 3 208.349 1.846 20 0 BDADHO NC[C@@H]1CCCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582932 988120758 /nfs/dbraw/zinc/12/07/58/988120758.db2.gz PEWYGZUSMMTXEM-WUHRBBMRSA-N 1 3 208.349 1.846 20 0 BDADHO CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582775 988121299 /nfs/dbraw/zinc/12/12/99/988121299.db2.gz HMMUSGYRGBYLFM-XQHKEYJVSA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582775 988121310 /nfs/dbraw/zinc/12/13/10/988121310.db2.gz HMMUSGYRGBYLFM-XQHKEYJVSA-N 1 3 228.380 1.453 20 0 BDADHO COC[C@H](C)[N@@H+]1CCCC[C@@](C)(CN)C1 ZINC001246583781 988123767 /nfs/dbraw/zinc/12/37/67/988123767.db2.gz KSCFQKVCZHIOLD-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@H](C)[N@H+]1CCCC[C@@](C)(CN)C1 ZINC001246583781 988123777 /nfs/dbraw/zinc/12/37/77/988123777.db2.gz KSCFQKVCZHIOLD-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583660 988124689 /nfs/dbraw/zinc/12/46/89/988124689.db2.gz KPRXBIDGIPROGO-ZOBORPQBSA-N 1 3 242.407 1.843 20 0 BDADHO CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583660 988124695 /nfs/dbraw/zinc/12/46/95/988124695.db2.gz KPRXBIDGIPROGO-ZOBORPQBSA-N 1 3 242.407 1.843 20 0 BDADHO COC[C@H](C)[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246583780 988127020 /nfs/dbraw/zinc/12/70/20/988127020.db2.gz KSCFQKVCZHIOLD-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO COC[C@H](C)[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246583780 988127031 /nfs/dbraw/zinc/12/70/31/988127031.db2.gz KSCFQKVCZHIOLD-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246590330 988169502 /nfs/dbraw/zinc/16/95/02/988169502.db2.gz SKCKKNFFUBYMSJ-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246590330 988169518 /nfs/dbraw/zinc/16/95/18/988169518.db2.gz SKCKKNFFUBYMSJ-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590330 988169531 /nfs/dbraw/zinc/16/95/31/988169531.db2.gz SKCKKNFFUBYMSJ-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CC[N@@H+]([C@H]2CCN[C@@H](C)C2)C[C@@]1(C)O ZINC001246593032 988180956 /nfs/dbraw/zinc/18/09/56/988180956.db2.gz RJPDQIQJFHSFCG-MROQNXINSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1CC[N@H+]([C@H]2CCN[C@@H](C)C2)C[C@@]1(C)O ZINC001246593032 988180969 /nfs/dbraw/zinc/18/09/69/988180969.db2.gz RJPDQIQJFHSFCG-MROQNXINSA-N 1 3 226.364 1.220 20 0 BDADHO C1C[C@@H]2CC[N@@H+]([C@@H]3CCCNC3)C[C@H]2C1 ZINC001246657445 988387990 /nfs/dbraw/zinc/38/79/90/988387990.db2.gz QMAHJCPQQJIMTA-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO C1C[C@@H]2CC[N@H+]([C@@H]3CCCNC3)C[C@H]2C1 ZINC001246657445 988387997 /nfs/dbraw/zinc/38/79/97/988387997.db2.gz QMAHJCPQQJIMTA-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246688209 988436453 /nfs/dbraw/zinc/43/64/53/988436453.db2.gz CUOACXQOWFZIFI-IZXDZPFWSA-N 1 3 237.391 1.294 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCOC3)CCN1 ZINC001246855068 988576704 /nfs/dbraw/zinc/57/67/04/988576704.db2.gz SGLCLDWCIZICLW-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCOC3)CCN1 ZINC001246855068 988576713 /nfs/dbraw/zinc/57/67/13/988576713.db2.gz SGLCLDWCIZICLW-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C)NC3)C[C@H]12 ZINC001246855005 988579369 /nfs/dbraw/zinc/57/93/69/988579369.db2.gz RTVZPGGHZKPWJG-UJPOAAIJSA-N 1 3 224.348 1.094 20 0 BDADHO C[C@@H]1CO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C)NC3)C[C@H]12 ZINC001246855005 988579382 /nfs/dbraw/zinc/57/93/82/988579382.db2.gz RTVZPGGHZKPWJG-UJPOAAIJSA-N 1 3 224.348 1.094 20 0 BDADHO CCOCC[C@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246917787 988713185 /nfs/dbraw/zinc/71/31/85/988713185.db2.gz SZSQMNMVIOHIAU-WDEREUQCSA-N 1 3 200.326 1.225 20 0 BDADHO c1ccc(C[C@@H]2C[C@@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246989734 988820899 /nfs/dbraw/zinc/82/08/99/988820899.db2.gz GXNBFIFRQPCZOY-CABCVRRESA-N 1 3 245.370 1.212 20 0 BDADHO C[C@H]1C[C@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996531 988830209 /nfs/dbraw/zinc/83/02/09/988830209.db2.gz PBGBFFFZAKGMPQ-SCRDCRAPSA-N 1 3 235.375 1.469 20 0 BDADHO CCN1CCN([C@@H]2CC[NH2+][C@H](C)C2)[C@H](C)C1 ZINC001246997925 988833634 /nfs/dbraw/zinc/83/36/34/988833634.db2.gz WDWGGQBVTRAPLR-JHJVBQTASA-N 1 3 225.380 1.153 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC001521540644 989738916 /nfs/dbraw/zinc/73/89/16/989738916.db2.gz JJGIIIYLTKWJLQ-TUAOUCFPSA-N 1 3 243.395 1.384 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NCCCCCC[NH3+] ZINC001122007773 990178437 /nfs/dbraw/zinc/17/84/37/990178437.db2.gz RANVXBYLOPGSNY-NWDGAFQWSA-N 1 3 243.395 1.385 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001122017898 990187715 /nfs/dbraw/zinc/18/77/15/990187715.db2.gz ZCZMAXDIYXEFHY-YFKTTZPYSA-N 1 3 241.379 1.136 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[NH2+]C1CC(N)C1 ZINC001258106684 991016846 /nfs/dbraw/zinc/01/68/46/991016846.db2.gz BPRFIWYRFRFMGD-KPPDAEKUSA-N 1 3 228.336 1.188 20 0 BDADHO C[NH+]1CCC2(CCN(Cc3ccnnc3)C2)CC1 ZINC001139983657 991462533 /nfs/dbraw/zinc/46/25/33/991462533.db2.gz FOQBJJVCWQJFTI-UHFFFAOYSA-N 1 3 246.358 1.394 20 0 BDADHO CCC[NH+]1CCC(Nc2ccc(CN)nc2)CC1 ZINC001258769559 991729676 /nfs/dbraw/zinc/72/96/76/991729676.db2.gz VMNXVHJFXGQQGZ-UHFFFAOYSA-N 1 3 248.374 1.827 20 0 BDADHO CCC[NH+]1CCC(N2CCC[C@H](OC)C2)CC1 ZINC001258771747 991734784 /nfs/dbraw/zinc/73/47/84/991734784.db2.gz SDSKHRQXKQRSFY-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N[C@H]1COC[C@@H]1F ZINC001258907209 991895119 /nfs/dbraw/zinc/89/51/19/991895119.db2.gz OQZHGXVFUHNROP-AGIUHOORSA-N 1 3 246.370 1.823 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)N[C@@](N)(CC)CO ZINC001258902321 991895276 /nfs/dbraw/zinc/89/52/76/991895276.db2.gz RWRCYUHNPJVTSW-STQMWFEESA-N 1 3 245.411 1.144 20 0 BDADHO CC(C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001567511725 992052863 /nfs/dbraw/zinc/05/28/63/992052863.db2.gz GGBMIWGWZJFUHS-LBPRGKRZSA-N 1 3 243.395 1.029 20 0 BDADHO CCC[NH2+]CCN(CC)C(=O)CN(C)C(C)C ZINC001568800291 992215299 /nfs/dbraw/zinc/21/52/99/992215299.db2.gz GVQVZEJERKXNIP-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC001261424594 992293736 /nfs/dbraw/zinc/29/37/36/992293736.db2.gz YOYPVKCFINRBME-GWOFURMSSA-N 1 3 200.326 1.140 20 0 BDADHO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccnc(CO)c1 ZINC001262354096 992855819 /nfs/dbraw/zinc/85/58/19/992855819.db2.gz YJQUSVTVLPYRQQ-ZIAGYGMSSA-N 1 3 249.358 1.859 20 0 BDADHO C(NC1([C@H]2CCCO2)CCC1)[C@H]1CC[NH2+]C1 ZINC001574816506 992918952 /nfs/dbraw/zinc/91/89/52/992918952.db2.gz GXFJTAZUCPXTBL-NWDGAFQWSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@@H]([S@@](C)=O)C1 ZINC001575423073 993039351 /nfs/dbraw/zinc/03/93/51/993039351.db2.gz OROZVAWEIIBOFU-DSZLRUIBSA-N 1 3 246.420 1.107 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+]C[C@H](CO)CC1CC1 ZINC001575422272 993042357 /nfs/dbraw/zinc/04/23/57/993042357.db2.gz GZLKZWSRQWWCCX-OLZOCXBDSA-N 1 3 228.380 1.216 20 0 BDADHO CC(C)[C@H](O)CCNC[C@H]([NH3+])CC(F)(F)F ZINC001575470869 993051097 /nfs/dbraw/zinc/05/10/97/993051097.db2.gz FDEQHNSQVXAZDM-RKDXNWHRSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)C[C@@H](CN(C)C)NCC12CC(C1)C[NH2+]2 ZINC001575618295 993086094 /nfs/dbraw/zinc/08/60/94/993086094.db2.gz DFEQVSRNVGNNGG-MOKVOYLWSA-N 1 3 239.407 1.304 20 0 BDADHO CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@H](N)C1(C)C ZINC001575618257 993086344 /nfs/dbraw/zinc/08/63/44/993086344.db2.gz BVECIAUFGMRPDE-DCAQKATOSA-N 1 3 214.353 1.109 20 0 BDADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCC1(C2(O)CCC2)CC1 ZINC001576381630 993290899 /nfs/dbraw/zinc/29/08/99/993290899.db2.gz CDOBWKQJYLJRNC-QWRGUYRKSA-N 1 3 238.375 1.397 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC001576381677 993291376 /nfs/dbraw/zinc/29/13/76/993291376.db2.gz DEFRPERUUVCDRM-NTZHIAQWSA-N 1 3 236.359 1.125 20 0 BDADHO CC1(C)OC[C@H](CN2CCCC[C@@H]2CC[NH3+])O1 ZINC001576494735 993316692 /nfs/dbraw/zinc/31/66/92/993316692.db2.gz FFWZXTARJOOWCI-NEPJUHHUSA-N 1 3 242.363 1.341 20 0 BDADHO CC1(C)CO[C@@H](CN2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC001576484157 993319472 /nfs/dbraw/zinc/31/94/72/993319472.db2.gz OFXMKFZGWCXZGU-FRRDWIJNSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@]1(C)CCCNC1 ZINC001576572305 993351072 /nfs/dbraw/zinc/35/10/72/993351072.db2.gz KOCRCHYSYNXENY-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@@H](CO)CC[N@H+]1C[C@]1(C)CCCNC1 ZINC001576572305 993351076 /nfs/dbraw/zinc/35/10/76/993351076.db2.gz KOCRCHYSYNXENY-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1COC(C)(C)O1 ZINC001576622419 993373590 /nfs/dbraw/zinc/37/35/90/993373590.db2.gz DNCUTAXEBRBDSZ-NOOOWODRSA-N 1 3 242.363 1.257 20 0 BDADHO C[C@@H]1CCC[C@]1(O)C[NH2+]CC1(CN)CCC1 ZINC001576681104 993392855 /nfs/dbraw/zinc/39/28/55/993392855.db2.gz ZXHYBVSMLYLRLT-YPMHNXCESA-N 1 3 226.364 1.256 20 0 BDADHO C[C@@H]1CCN(Cc2cc[nH]c(=O)c2)C[C@H]1C[NH3+] ZINC001576734693 993411939 /nfs/dbraw/zinc/41/19/39/993411939.db2.gz IMWREGDFBSVYRY-ZYHUDNBSSA-N 1 3 235.331 1.204 20 0 BDADHO C[C@H]1CN(CC23CC(C)(C2)OC3)CC[C@@H]1[NH3+] ZINC001576801687 993427116 /nfs/dbraw/zinc/42/71/16/993427116.db2.gz SWVNYJYLQZXZOL-ZSVAQUKISA-N 1 3 224.348 1.225 20 0 BDADHO C[C@H]1C[NH2+]C[C@H](NCCC2CSC2)C1 ZINC001576850581 993435087 /nfs/dbraw/zinc/43/50/87/993435087.db2.gz UIUIURXMNSLLDP-MWLCHTKSSA-N 1 3 214.378 1.327 20 0 BDADHO CC[C@@H](C)N(CC(=O)OC)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001576996724 993482067 /nfs/dbraw/zinc/48/20/67/993482067.db2.gz WIYBPXFHELPBQC-GRYCIOLGSA-N 1 3 242.363 1.387 20 0 BDADHO CCC(CC)(C[NH3+])NC(=O)CN(C)C1CCC1 ZINC001577051835 993489953 /nfs/dbraw/zinc/48/99/53/993489953.db2.gz BCJOZCCYEZUVGY-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](CN[C@@H]1CCCC[C@H]1[NH3+])OC ZINC001577090580 993497986 /nfs/dbraw/zinc/49/79/86/993497986.db2.gz SWJCWAWFJFRHRZ-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H](CO)[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001577090097 993499621 /nfs/dbraw/zinc/49/96/21/993499621.db2.gz PKQVVAFVISCWLI-JHJVBQTASA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](CO)[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001577090097 993499626 /nfs/dbraw/zinc/49/96/26/993499626.db2.gz PKQVVAFVISCWLI-JHJVBQTASA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@@H](Cc1ccccc1)NC[C@@]1(O)CC[NH2+]C1 ZINC001577096509 993503221 /nfs/dbraw/zinc/50/32/21/993503221.db2.gz PDYIBXPTLVVEKW-LSDHHAIUSA-N 1 3 248.370 1.322 20 0 BDADHO CC[C@@H]([NH2+]CC(CC)(CC)CN)[C@@H](C)O ZINC001577175929 993534955 /nfs/dbraw/zinc/53/49/55/993534955.db2.gz MWMZBDADFIEVHT-GHMZBOCLSA-N 1 3 216.369 1.501 20 0 BDADHO CC[C@@H]([NH3+])CNC[C@@]1(C)CCCCO1 ZINC001577124938 993517911 /nfs/dbraw/zinc/51/79/11/993517911.db2.gz YOBJTTRNUDFBBJ-GHMZBOCLSA-N 1 3 200.326 1.273 20 0 BDADHO CCC[C@@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC001577367949 993622299 /nfs/dbraw/zinc/62/22/99/993622299.db2.gz BRDUIHXPXGSTFI-GMTAPVOTSA-N 1 3 200.326 1.007 20 0 BDADHO CCCCN(CCCO)CCC[NH2+]C ZINC001577455245 993664094 /nfs/dbraw/zinc/66/40/94/993664094.db2.gz YOHONEWNHRHOMW-UHFFFAOYSA-N 1 3 202.342 1.080 20 0 BDADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCCOC1 ZINC000161724188 349490454 /nfs/dbraw/zinc/49/04/54/349490454.db2.gz URTKQUKMKBXHKK-AWEZNQCLSA-N 1 3 240.391 1.831 20 0 BDADHO CC[C@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803410 398168599 /nfs/dbraw/zinc/16/85/99/398168599.db2.gz PCMAARGGFHVABR-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000379835315 398170513 /nfs/dbraw/zinc/17/05/13/398170513.db2.gz DIRPBVWDSLQMJO-YIOUJQMASA-N 1 3 240.391 1.645 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3cn[nH]c3)C[C@@H]21 ZINC000379746317 398163978 /nfs/dbraw/zinc/16/39/78/398163978.db2.gz BWXGSPNMMFCIMZ-RWMBFGLXSA-N 1 3 234.347 1.011 20 0 BDADHO Cc1cc(N2CCCN([C@H](C)CO)CC2)cc[nH+]1 ZINC000365348935 178113772 /nfs/dbraw/zinc/11/37/72/178113772.db2.gz XZIMECOCPSXNQU-CYBMUJFWSA-N 1 3 249.358 1.283 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CCCC1CC[NH2+]CC1 ZINC000380588357 398201410 /nfs/dbraw/zinc/20/14/10/398201410.db2.gz SCBNHUFZRDZPPM-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO c1cn(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000649412119 398213998 /nfs/dbraw/zinc/21/39/98/398213998.db2.gz LXMVJJXBHFKZJV-GFCCVEGCSA-N 1 3 234.347 1.130 20 0 BDADHO Cc1ncsc1CCN[C@](C)(C[NH3+])C1CC1 ZINC000430557957 398227903 /nfs/dbraw/zinc/22/79/03/398227903.db2.gz OURMVGWDDXHEGA-GFCCVEGCSA-N 1 3 239.388 1.711 20 0 BDADHO COCCCCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430557203 398228178 /nfs/dbraw/zinc/22/81/78/398228178.db2.gz SBOGVXAWMLFLSY-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO CN(CCC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367214076 398249087 /nfs/dbraw/zinc/24/90/87/398249087.db2.gz ZISFCTRSYALYPC-FUNVUKJBSA-N 1 3 240.391 1.704 20 0 BDADHO CN(CCC(C)(C)O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367214076 398249091 /nfs/dbraw/zinc/24/90/91/398249091.db2.gz ZISFCTRSYALYPC-FUNVUKJBSA-N 1 3 240.391 1.704 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000576701955 365662800 /nfs/dbraw/zinc/66/28/00/365662800.db2.gz QBMVRXWMDZHMNN-GHMZBOCLSA-N 1 3 249.358 1.214 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000381543970 398262578 /nfs/dbraw/zinc/26/25/78/398262578.db2.gz JIIGLTRAFJCVOM-AGIUHOORSA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000381543970 398262582 /nfs/dbraw/zinc/26/25/82/398262582.db2.gz JIIGLTRAFJCVOM-AGIUHOORSA-N 1 3 208.349 1.718 20 0 BDADHO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000180095007 538957163 /nfs/dbraw/zinc/95/71/63/538957163.db2.gz VJEMVTGJPKFKFR-ZYHUDNBSSA-N 1 3 248.374 1.853 20 0 BDADHO C[C@H](CO)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678044667 488179627 /nfs/dbraw/zinc/17/96/27/488179627.db2.gz RKGFBIOCJDOXAH-STQMWFEESA-N 1 3 226.364 1.033 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678044667 488179631 /nfs/dbraw/zinc/17/96/31/488179631.db2.gz RKGFBIOCJDOXAH-STQMWFEESA-N 1 3 226.364 1.033 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678044667 488179636 /nfs/dbraw/zinc/17/96/36/488179636.db2.gz RKGFBIOCJDOXAH-STQMWFEESA-N 1 3 226.364 1.033 20 0 BDADHO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631838658 398285303 /nfs/dbraw/zinc/28/53/03/398285303.db2.gz SKNUIMHOZGJYME-DGCLKSJQSA-N 1 3 234.343 1.722 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CN1CCN(CC2CC2)CC1 ZINC000649489764 398286346 /nfs/dbraw/zinc/28/63/46/398286346.db2.gz GRAQWQNOHUIBSM-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO C[N@H+]1CCC[C@@H]1CN1CCN(CC2CC2)CC1 ZINC000649489764 398286348 /nfs/dbraw/zinc/28/63/48/398286348.db2.gz GRAQWQNOHUIBSM-CQSZACIVSA-N 1 3 237.391 1.108 20 0 BDADHO C(C[NH2+][C@H]1CCO[C@H]1C1CC1)CN1CCCC1 ZINC000232457515 342834968 /nfs/dbraw/zinc/83/49/68/342834968.db2.gz RKFXHUOZCBERMB-KBPBESRZSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@H]1CCO[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457515 342834970 /nfs/dbraw/zinc/83/49/70/342834970.db2.gz RKFXHUOZCBERMB-KBPBESRZSA-N 1 3 238.375 1.629 20 0 BDADHO COC[C@H](NCCC[NH2+]C(C)C)C(C)C ZINC000583988542 342830009 /nfs/dbraw/zinc/83/00/09/342830009.db2.gz ZAPKSLVOLKMVPA-LBPRGKRZSA-N 1 3 216.369 1.635 20 0 BDADHO C[N@H+](CCCN)CCCc1ccncc1 ZINC000381982030 398293887 /nfs/dbraw/zinc/29/38/87/398293887.db2.gz INICBKMAWJPDGR-UHFFFAOYSA-N 1 3 207.321 1.295 20 0 BDADHO C[N@@H+](CCCN)CCCc1ccncc1 ZINC000381982030 398293890 /nfs/dbraw/zinc/29/38/90/398293890.db2.gz INICBKMAWJPDGR-UHFFFAOYSA-N 1 3 207.321 1.295 20 0 BDADHO CCN1CCC([NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000335637596 136243126 /nfs/dbraw/zinc/24/31/26/136243126.db2.gz PYUQSIGFJLBHCS-AAEUAGOBSA-N 1 3 225.380 1.058 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386046904 342905235 /nfs/dbraw/zinc/90/52/35/342905235.db2.gz UOBKQQRAOVDZPV-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004476 342900382 /nfs/dbraw/zinc/90/03/82/342900382.db2.gz LYVPREKAMZYCSC-WRWGMCAJSA-N 1 3 220.316 1.995 20 0 BDADHO CC[C@]1(O)CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000495260837 529441900 /nfs/dbraw/zinc/44/19/00/529441900.db2.gz HZFZFUUGRZVZRN-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO CC[C@]1(O)CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000495260837 529441902 /nfs/dbraw/zinc/44/19/02/529441902.db2.gz HZFZFUUGRZVZRN-OLZOCXBDSA-N 1 3 226.364 1.318 20 0 BDADHO COC1CC([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000234695502 342933963 /nfs/dbraw/zinc/93/39/63/342933963.db2.gz BNJYSNSFDGMFET-PNESKVBLSA-N 1 3 226.364 1.484 20 0 BDADHO COC1CC(NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000234695502 342933965 /nfs/dbraw/zinc/93/39/65/342933965.db2.gz BNJYSNSFDGMFET-PNESKVBLSA-N 1 3 226.364 1.484 20 0 BDADHO COC1CC(NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000234695502 342933966 /nfs/dbraw/zinc/93/39/66/342933966.db2.gz BNJYSNSFDGMFET-PNESKVBLSA-N 1 3 226.364 1.484 20 0 BDADHO C([C@@H]1CCOC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037916061 398335225 /nfs/dbraw/zinc/33/52/25/398335225.db2.gz NZGKLXVHEHVFJR-IHRRRGAJSA-N 1 3 238.375 1.487 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000234965986 342967878 /nfs/dbraw/zinc/96/78/78/342967878.db2.gz RUQAQXVEMZLEPB-WISYIIOYSA-N 1 3 212.337 1.413 20 0 BDADHO Cc1cccc(CN[C@H](C)CCC[NH3+])n1 ZINC000308802700 259340476 /nfs/dbraw/zinc/34/04/76/259340476.db2.gz FFASYELYNNHTQU-SNVBAGLBSA-N 1 3 207.321 1.607 20 0 BDADHO Cc1ncc(CNCC2CC[NH+](C)CC2)o1 ZINC000398115594 343067874 /nfs/dbraw/zinc/06/78/74/343067874.db2.gz URANJAGRRKKRIB-UHFFFAOYSA-N 1 3 223.320 1.414 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000127283731 343172642 /nfs/dbraw/zinc/17/26/42/343172642.db2.gz ASGIFFBKSUQOAI-GUBZILKMSA-N 1 3 202.367 1.597 20 0 BDADHO CSC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000127283731 343172646 /nfs/dbraw/zinc/17/26/46/343172646.db2.gz ASGIFFBKSUQOAI-GUBZILKMSA-N 1 3 202.367 1.597 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCO[C@H]2C)C1 ZINC000134388876 343194585 /nfs/dbraw/zinc/19/45/85/343194585.db2.gz PEVNENPVNFGETM-AVGNSLFASA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCO[C@H]2C)C1 ZINC000134388876 343194587 /nfs/dbraw/zinc/19/45/87/343194587.db2.gz PEVNENPVNFGETM-AVGNSLFASA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCO[C@H]2C)C1 ZINC000134388876 343194588 /nfs/dbraw/zinc/19/45/88/343194588.db2.gz PEVNENPVNFGETM-AVGNSLFASA-N 1 3 226.364 1.484 20 0 BDADHO Cc1nccn1CCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000348756352 136297247 /nfs/dbraw/zinc/29/72/47/136297247.db2.gz NUTQFUZYJFZTFQ-DGCLKSJQSA-N 1 3 236.363 1.251 20 0 BDADHO CC[C@H](COC)NCC(C)(C)C[NH+](C)C ZINC000070623656 343335975 /nfs/dbraw/zinc/33/59/75/343335975.db2.gz PIQOBFRBDKAWIU-LLVKDONJSA-N 1 3 216.369 1.589 20 0 BDADHO C1C[C@@H]([NH2+]C2CCC3(CCOCC3)CC2)CN1 ZINC000335643653 136303742 /nfs/dbraw/zinc/30/37/42/136303742.db2.gz QZFOJTRFNHRRPI-CYBMUJFWSA-N 1 3 238.375 1.677 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000166217512 136309786 /nfs/dbraw/zinc/30/97/86/136309786.db2.gz BVLRQCZWGMHSIS-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000166217512 136309787 /nfs/dbraw/zinc/30/97/87/136309787.db2.gz BVLRQCZWGMHSIS-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO Cc1ncsc1CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166217251 136309927 /nfs/dbraw/zinc/30/99/27/136309927.db2.gz PXALRNXZOUZEDC-KOLCDFICSA-N 1 3 239.388 1.663 20 0 BDADHO Cc1n[nH]cc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000335688941 136324158 /nfs/dbraw/zinc/32/41/58/136324158.db2.gz QWFSPTDPNFQYJK-VIFPVBQESA-N 1 3 222.336 1.277 20 0 BDADHO Cc1[nH]ncc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335726541 136347374 /nfs/dbraw/zinc/34/73/74/136347374.db2.gz NSVNLYBSABSAMK-NEPJUHHUSA-N 1 3 220.320 1.044 20 0 BDADHO C[NH+](C)C1CCN(C[C@@H]2CCOC2)CC1 ZINC000335703593 136334652 /nfs/dbraw/zinc/33/46/52/136334652.db2.gz UIDIDKDRGCEIFP-NSHDSACASA-N 1 3 212.337 1.049 20 0 BDADHO [NH3+]C[C@H]1CCCN(Cc2cccc3c2NCC3)C1 ZINC000335712714 136337748 /nfs/dbraw/zinc/33/77/48/136337748.db2.gz KFDPMLVFYHRRED-GFCCVEGCSA-N 1 3 245.370 1.825 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOC[C@@H]2CCCO2)C1 ZINC000576002864 343694496 /nfs/dbraw/zinc/69/44/96/343694496.db2.gz FOYNVVVQKXQVLW-UPJWGTAASA-N 1 3 242.363 1.042 20 0 BDADHO Cc1cc(N)cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000576121881 343718651 /nfs/dbraw/zinc/71/86/51/343718651.db2.gz PGMRAFLDPGPYFV-TZMCWYRMSA-N 1 3 233.359 1.937 20 0 BDADHO C1C(N[C@@H]2CCCOC2)CC1[NH+]1CCCCC1 ZINC000336487151 537813285 /nfs/dbraw/zinc/81/32/85/537813285.db2.gz AOGCHZZLJKZBBQ-IYXRBSQSSA-N 1 3 238.375 1.772 20 0 BDADHO C1C(N[C@H]2CCCOC2)CC1[NH+]1CCCCC1 ZINC000336487150 537814058 /nfs/dbraw/zinc/81/40/58/537814058.db2.gz AOGCHZZLJKZBBQ-HSBZDZAISA-N 1 3 238.375 1.772 20 0 BDADHO CC(C)CSCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000393787600 343928751 /nfs/dbraw/zinc/92/87/51/343928751.db2.gz WIKATAGIEKTILY-BETUJISGSA-N 1 3 242.432 1.917 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000634733424 344113189 /nfs/dbraw/zinc/11/31/89/344113189.db2.gz FNTXKMVZKZNGEX-NEPJUHHUSA-N 1 3 228.380 1.637 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733342 344113305 /nfs/dbraw/zinc/11/33/05/344113305.db2.gz CXCUKIKIAALYOH-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccccn2)C1 ZINC000086401854 344216728 /nfs/dbraw/zinc/21/67/28/344216728.db2.gz YEAISPSFPMKMBW-AAEUAGOBSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000086401854 344216729 /nfs/dbraw/zinc/21/67/29/344216729.db2.gz YEAISPSFPMKMBW-AAEUAGOBSA-N 1 3 219.332 1.484 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ccccc2)C1 ZINC000093215572 344312624 /nfs/dbraw/zinc/31/26/24/344312624.db2.gz NGUVXYXLLWIWLO-QWHCGFSZSA-N 1 3 234.343 1.925 20 0 BDADHO CC[NH+](CC)CCCN1C[C@@H]2COC[C@@H]2C1 ZINC000634779756 344316735 /nfs/dbraw/zinc/31/67/35/344316735.db2.gz FGBBEPSOWVFPOI-BETUJISGSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779756 344316738 /nfs/dbraw/zinc/31/67/38/344316738.db2.gz FGBBEPSOWVFPOI-BETUJISGSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779756 344316740 /nfs/dbraw/zinc/31/67/40/344316740.db2.gz FGBBEPSOWVFPOI-BETUJISGSA-N 1 3 226.364 1.297 20 0 BDADHO C(NC[C@@H]1CCCCO1)[C@H]1CCC[NH2+]C1 ZINC000042825212 344468861 /nfs/dbraw/zinc/46/88/61/344468861.db2.gz WINJCAJZPZFHCO-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO C([NH2+]C[C@@H]1CCCCO1)[C@H]1CCCNC1 ZINC000042825212 344468863 /nfs/dbraw/zinc/46/88/63/344468863.db2.gz WINJCAJZPZFHCO-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO CN(CCN1CC[NH2+]CC1)Cc1cccs1 ZINC000037482582 344508993 /nfs/dbraw/zinc/50/89/93/344508993.db2.gz NNHQMQBYCVOWDT-UHFFFAOYSA-N 1 3 239.388 1.085 20 0 BDADHO C[NH+](C)CCCCNCc1nccs1 ZINC000082394775 344904507 /nfs/dbraw/zinc/90/45/07/344904507.db2.gz KFEHLYIABGNDEL-UHFFFAOYSA-N 1 3 213.350 1.575 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)C[C@@H]1C)C1CC1 ZINC000155850698 345110532 /nfs/dbraw/zinc/11/05/32/345110532.db2.gz LGBUDZLQQIVVFD-JSGCOSHPSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)[C@@H](C[NH3+])CN[C@@H]1CNc2ccccc2C1 ZINC000634996317 345187348 /nfs/dbraw/zinc/18/73/48/345187348.db2.gz GPIZFRNKBWPMRM-KBPBESRZSA-N 1 3 247.386 1.844 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000634996317 345187351 /nfs/dbraw/zinc/18/73/51/345187351.db2.gz GPIZFRNKBWPMRM-KBPBESRZSA-N 1 3 247.386 1.844 20 0 BDADHO CC(C)[C@@H](C[NH3+])CNCc1cccc(N)c1 ZINC000634996709 345191144 /nfs/dbraw/zinc/19/11/44/345191144.db2.gz RHBDZZGGAXRFTE-LBPRGKRZSA-N 1 3 221.348 1.589 20 0 BDADHO CC(C)[C@H]1CN(CC23CC(C2)C[NH2+]3)CCN1C ZINC000634993662 345192126 /nfs/dbraw/zinc/19/21/26/345192126.db2.gz BDTSASGFHYEJKO-ROKHWSDSSA-N 1 3 237.391 1.010 20 0 BDADHO CCN1C[C@H](C)N(CC23CC(C2)C[NH2+]3)C[C@H]1C ZINC000634994052 345192847 /nfs/dbraw/zinc/19/28/47/345192847.db2.gz PDZWPIMLCORFDQ-KBHBFKLGSA-N 1 3 237.391 1.153 20 0 BDADHO N[C@H]1CCCCC[N@H+](CC2=CCCOC2)C1 ZINC000634997184 345194499 /nfs/dbraw/zinc/19/44/99/345194499.db2.gz FQCAPUVVJSXIES-ZDUSSCGKSA-N 1 3 224.348 1.536 20 0 BDADHO N[C@H]1CCCCC[N@@H+](CC2=CCCOC2)C1 ZINC000634997184 345194500 /nfs/dbraw/zinc/19/45/00/345194500.db2.gz FQCAPUVVJSXIES-ZDUSSCGKSA-N 1 3 224.348 1.536 20 0 BDADHO C[C@@H]1CN(Cc2cccs2)C[C@H]1C[NH3+] ZINC000634998699 345198035 /nfs/dbraw/zinc/19/80/35/345198035.db2.gz JLRFVPFQGOQZHN-NXEZZACHSA-N 1 3 210.346 1.775 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1CN ZINC000635003197 345205370 /nfs/dbraw/zinc/20/53/70/345205370.db2.gz GXPXBIWETGRZRY-XQQFMLRXSA-N 1 3 228.380 1.645 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000635003195 345205721 /nfs/dbraw/zinc/20/57/21/345205721.db2.gz GXPXBIWETGRZRY-JHJVBQTASA-N 1 3 228.380 1.645 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])[C@H](C)O1 ZINC000635003429 345206412 /nfs/dbraw/zinc/20/64/12/345206412.db2.gz DBQZFBJSMYEFNR-MLGHIDQZSA-N 1 3 226.364 1.802 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004901 345208423 /nfs/dbraw/zinc/20/84/23/345208423.db2.gz RDNBXRZWXCQHGL-ZDEQEGDKSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)[C@H](C)O1 ZINC000635005434 345209061 /nfs/dbraw/zinc/20/90/61/345209061.db2.gz NNDNKKMNURGBQU-LBELIVKGSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC[C@H]2C)[C@H](C)O1 ZINC000635005434 345209062 /nfs/dbraw/zinc/20/90/62/345209062.db2.gz NNDNKKMNURGBQU-LBELIVKGSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@@H]1CCOC1 ZINC000635010226 345212726 /nfs/dbraw/zinc/21/27/26/345212726.db2.gz JEVFZKJITWTNSF-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNCC(C)(C)C2)CCO1 ZINC000635012156 345214111 /nfs/dbraw/zinc/21/41/11/345214111.db2.gz REYHKMDFHOAOFN-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012606 345214180 /nfs/dbraw/zinc/21/41/80/345214180.db2.gz UMZVBXAUEHFWPJ-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@@H]([NH2+]CC[C@H]1CNc2ccccc21)C1CNC1 ZINC000635007871 345215149 /nfs/dbraw/zinc/21/51/49/345215149.db2.gz QCSNHNPGXVDEHB-NEPJUHHUSA-N 1 3 245.370 1.783 20 0 BDADHO C[C@@H](NCC[C@H]1CNc2ccccc21)C1C[NH2+]C1 ZINC000635007871 345215150 /nfs/dbraw/zinc/21/51/50/345215150.db2.gz QCSNHNPGXVDEHB-NEPJUHHUSA-N 1 3 245.370 1.783 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000132431668 345330595 /nfs/dbraw/zinc/33/05/95/345330595.db2.gz LRZNWKGUBJRPEU-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000132431668 345330597 /nfs/dbraw/zinc/33/05/97/345330597.db2.gz LRZNWKGUBJRPEU-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H](C(=O)Nc1ccc(CN(C)C)cc1)[C@H](C)[NH3+] ZINC000134103955 345398801 /nfs/dbraw/zinc/39/88/01/345398801.db2.gz YATOEEPIQUNSSZ-MNOVXSKESA-N 1 3 249.358 1.670 20 0 BDADHO Cc1ccccc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000144520020 345708478 /nfs/dbraw/zinc/70/84/78/345708478.db2.gz ATYGISCCJIDVNO-UHFFFAOYSA-N 1 3 248.370 1.541 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1 ZINC000144515861 345709038 /nfs/dbraw/zinc/70/90/38/345709038.db2.gz UUMLERGAZUBKSI-CYBMUJFWSA-N 1 3 248.370 1.794 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159988541 345772455 /nfs/dbraw/zinc/77/24/55/345772455.db2.gz DBIFVIOGBOMAEP-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159988541 345772457 /nfs/dbraw/zinc/77/24/57/345772457.db2.gz DBIFVIOGBOMAEP-UPJWGTAASA-N 1 3 226.364 1.364 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCCC12CCC2 ZINC000394733242 323096389 /nfs/dbraw/zinc/09/63/89/323096389.db2.gz LXNQWYXSOPCKOS-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCC1 ZINC000300716805 346374552 /nfs/dbraw/zinc/37/45/52/346374552.db2.gz GIVTVEFUPVMFFI-CHWSQXEVSA-N 1 3 208.349 1.718 20 0 BDADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000300716806 346374801 /nfs/dbraw/zinc/37/48/01/346374801.db2.gz GIVTVEFUPVMFFI-STQMWFEESA-N 1 3 208.349 1.718 20 0 BDADHO C[C@@H]1CCC[N@H+](CCc2cncn2C)[C@@H]1CN ZINC000641797015 362741669 /nfs/dbraw/zinc/74/16/69/362741669.db2.gz PRTKKHPKGJFMNX-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCc2cncn2C)[C@@H]1CN ZINC000641797015 362741671 /nfs/dbraw/zinc/74/16/71/362741671.db2.gz PRTKKHPKGJFMNX-DGCLKSJQSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CO1 ZINC000402166826 349974076 /nfs/dbraw/zinc/97/40/76/349974076.db2.gz SWHTWMRZCATHNU-IKOXMDCHSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000381657760 346591883 /nfs/dbraw/zinc/59/18/83/346591883.db2.gz DBWYAQWWGZJMIG-SDDRHHMPSA-N 1 3 214.353 1.517 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CCSC1)C2 ZINC000622004898 370655032 /nfs/dbraw/zinc/65/50/32/370655032.db2.gz WEEJOJWXRHUDEU-UTUOFQBUSA-N 1 3 226.389 1.553 20 0 BDADHO CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000571158364 323136928 /nfs/dbraw/zinc/13/69/28/323136928.db2.gz GDTCHPVFXRTYLB-UTUOFQBUSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000571158364 323136929 /nfs/dbraw/zinc/13/69/29/323136929.db2.gz GDTCHPVFXRTYLB-UTUOFQBUSA-N 1 3 214.353 1.220 20 0 BDADHO [NH3+][C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000250655244 362815963 /nfs/dbraw/zinc/81/59/63/362815963.db2.gz UYCYGECWSULEDD-CABCVRRESA-N 1 3 245.370 1.294 20 0 BDADHO C[C@@H]1CC[C@@H](CN(C)CC(C)(C)C[NH3+])O1 ZINC000149781000 347518258 /nfs/dbraw/zinc/51/82/58/347518258.db2.gz RDGPMMVRCIHPAD-MNOVXSKESA-N 1 3 214.353 1.471 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000308540007 347822756 /nfs/dbraw/zinc/82/27/56/347822756.db2.gz IHYVBPSDJFAPAW-OUAUKWLOSA-N 1 3 200.326 1.271 20 0 BDADHO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000253011194 347870220 /nfs/dbraw/zinc/87/02/20/347870220.db2.gz CGJXJNQAQLNWOU-HBNTYKKESA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)CSCCF)CN(C)C ZINC000595037766 348176412 /nfs/dbraw/zinc/17/64/12/348176412.db2.gz IAGLLJGKQGYGDH-MNOVXSKESA-N 1 3 236.400 1.865 20 0 BDADHO C[C@H](CN[C@@H](C)CSCCF)C[NH+](C)C ZINC000595037766 348176417 /nfs/dbraw/zinc/17/64/17/348176417.db2.gz IAGLLJGKQGYGDH-MNOVXSKESA-N 1 3 236.400 1.865 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)O1 ZINC000397477221 362888190 /nfs/dbraw/zinc/88/81/90/362888190.db2.gz IEYINBGWWCEONU-XHJNMGKDSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)O1 ZINC000397477221 362888193 /nfs/dbraw/zinc/88/81/93/362888193.db2.gz IEYINBGWWCEONU-XHJNMGKDSA-N 1 3 240.391 1.859 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](CN)[C@H](C)C[C@@H]2C)O1 ZINC000397477221 362888196 /nfs/dbraw/zinc/88/81/96/362888196.db2.gz IEYINBGWWCEONU-XHJNMGKDSA-N 1 3 240.391 1.859 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000395116266 323187597 /nfs/dbraw/zinc/18/75/97/323187597.db2.gz DKTWFPIVUZNIIH-NEPJUHHUSA-N 1 3 241.379 1.021 20 0 BDADHO COCCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395097688 323187030 /nfs/dbraw/zinc/18/70/30/323187030.db2.gz DEVKSNYPDQHABM-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO C[C@H](NCCCCF)[C@@H]1CCCC[NH2+]1 ZINC000395106700 323187057 /nfs/dbraw/zinc/18/70/57/323187057.db2.gz XHSMTFZYRNEKGG-QWRGUYRKSA-N 1 3 202.317 1.856 20 0 BDADHO CCSC1(CN[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000596650438 348606129 /nfs/dbraw/zinc/60/61/29/348606129.db2.gz ISAFRGDSWCCUFN-NXEZZACHSA-N 1 3 214.378 1.742 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOC2)C1 ZINC000070013446 490196008 /nfs/dbraw/zinc/19/60/08/490196008.db2.gz UMBLDQGRHRINAJ-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCOC2)C1 ZINC000070013446 490196012 /nfs/dbraw/zinc/19/60/12/490196012.db2.gz UMBLDQGRHRINAJ-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCOC2)C1 ZINC000070013446 490196020 /nfs/dbraw/zinc/19/60/20/490196020.db2.gz UMBLDQGRHRINAJ-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@@H](CC[NH+](C)C)N[C@H]1CCCOC1 ZINC000070013915 490197441 /nfs/dbraw/zinc/19/74/41/490197441.db2.gz BLHXSDUUCNGIBC-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO CSCCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598952581 349071748 /nfs/dbraw/zinc/07/17/48/349071748.db2.gz NKWGORCVBFUDGR-JTQLQIEISA-N 1 3 216.394 1.812 20 0 BDADHO CSCCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598952581 349071750 /nfs/dbraw/zinc/07/17/50/349071750.db2.gz NKWGORCVBFUDGR-JTQLQIEISA-N 1 3 216.394 1.812 20 0 BDADHO CC(C)CO[C@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000082923086 349214160 /nfs/dbraw/zinc/21/41/60/349214160.db2.gz PFOQUZRKFXBZOO-NEPJUHHUSA-N 1 3 228.380 1.765 20 0 BDADHO CC(C)CO[C@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000082923086 349214164 /nfs/dbraw/zinc/21/41/64/349214164.db2.gz PFOQUZRKFXBZOO-NEPJUHHUSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1CCCOC1 ZINC000252109823 349196114 /nfs/dbraw/zinc/19/61/14/349196114.db2.gz JKKMCGOAWBBARK-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1CCCOC1 ZINC000252109823 349196118 /nfs/dbraw/zinc/19/61/18/349196118.db2.gz JKKMCGOAWBBARK-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCOC1 ZINC000252109823 349196120 /nfs/dbraw/zinc/19/61/20/349196120.db2.gz JKKMCGOAWBBARK-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO COC[C@@H](C)C[NH2+][C@@H]1CCNCC1(C)C ZINC000300914677 349429575 /nfs/dbraw/zinc/42/95/75/349429575.db2.gz XVKYVXGTAYIPII-WDEREUQCSA-N 1 3 214.353 1.247 20 0 BDADHO COC(=O)C(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000304343427 350155219 /nfs/dbraw/zinc/15/52/19/350155219.db2.gz BQQFGRGAZNSMBA-NXEZZACHSA-N 1 3 228.336 1.045 20 0 BDADHO COC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000304343427 350155223 /nfs/dbraw/zinc/15/52/23/350155223.db2.gz BQQFGRGAZNSMBA-NXEZZACHSA-N 1 3 228.336 1.045 20 0 BDADHO C[C@@H]1CCC[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000251922481 538064073 /nfs/dbraw/zinc/06/40/73/538064073.db2.gz USOUBFKDIALJKA-XJFOESAGSA-N 1 3 222.376 1.964 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427128211 191053672 /nfs/dbraw/zinc/05/36/72/191053672.db2.gz KACBPKBLXWCOPV-NEPJUHHUSA-N 1 3 226.364 1.343 20 0 BDADHO Cc1nccn1CCCN(C)[C@H](C[NH3+])C1CC1 ZINC000360000377 180235150 /nfs/dbraw/zinc/23/51/50/180235150.db2.gz KVHBIEBXWGYQHQ-CYBMUJFWSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccnc1CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000295055195 180274483 /nfs/dbraw/zinc/27/44/83/180274483.db2.gz QQNUBYINOFNIJO-YPMHNXCESA-N 1 3 248.374 1.400 20 0 BDADHO Cc1nccnc1CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000295055195 180274487 /nfs/dbraw/zinc/27/44/87/180274487.db2.gz QQNUBYINOFNIJO-YPMHNXCESA-N 1 3 248.374 1.400 20 0 BDADHO Cc1nccnc1CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000295055190 180274866 /nfs/dbraw/zinc/27/48/66/180274866.db2.gz QQNUBYINOFNIJO-AAEUAGOBSA-N 1 3 248.374 1.400 20 0 BDADHO Cc1nccnc1CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000295055190 180274867 /nfs/dbraw/zinc/27/48/67/180274867.db2.gz QQNUBYINOFNIJO-AAEUAGOBSA-N 1 3 248.374 1.400 20 0 BDADHO C[C@H](CCc1ccco1)N[C@@H](C)[C@H](C)[NH3+] ZINC000309125176 323318380 /nfs/dbraw/zinc/31/83/80/323318380.db2.gz WALLEHHLKNDVTB-VWYCJHECSA-N 1 3 210.321 1.926 20 0 BDADHO Cc1ncsc1CCN1CCC[C@@H](C[NH3+])C1 ZINC000050285435 180309803 /nfs/dbraw/zinc/30/98/03/180309803.db2.gz CMBIKXSLVOGLDY-NSHDSACASA-N 1 3 239.388 1.665 20 0 BDADHO C[NH2+]CCCN(C)C[C@H]1CCCC[C@H]1O ZINC000328166088 350377034 /nfs/dbraw/zinc/37/70/34/350377034.db2.gz IXJMVKMMLOXKKG-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO CC(C)CCOCCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422786824 192466816 /nfs/dbraw/zinc/46/68/16/192466816.db2.gz SYMOKIQIKZLDAU-RYUDHWBXSA-N 1 3 216.369 1.765 20 0 BDADHO CC[NH+]1CCC(N(C)C[C@@H](C)OC)CC1 ZINC000336653314 350420597 /nfs/dbraw/zinc/42/05/97/350420597.db2.gz YACAATDHUPSDCN-LLVKDONJSA-N 1 3 214.353 1.437 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000162879530 350451919 /nfs/dbraw/zinc/45/19/19/350451919.db2.gz WLLQAXFACSVMHP-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000162879530 350451920 /nfs/dbraw/zinc/45/19/20/350451920.db2.gz WLLQAXFACSVMHP-IHRRRGAJSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@H]2COCC2(C)C)CC1(C)C ZINC000623541681 362960110 /nfs/dbraw/zinc/96/01/10/362960110.db2.gz TWFZMRDYPGWJTN-NEPJUHHUSA-N 1 3 240.391 1.874 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@H]2COCC2(C)C)CC1(C)C ZINC000623541681 362960117 /nfs/dbraw/zinc/96/01/17/362960117.db2.gz TWFZMRDYPGWJTN-NEPJUHHUSA-N 1 3 240.391 1.874 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551635 362972894 /nfs/dbraw/zinc/97/28/94/362972894.db2.gz ACLIYBMUZMAENM-GMXVVIOVSA-N 1 3 226.364 1.362 20 0 BDADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@](C)(O)C2)CC1(C)C ZINC000623551635 362972899 /nfs/dbraw/zinc/97/28/99/362972899.db2.gz ACLIYBMUZMAENM-GMXVVIOVSA-N 1 3 226.364 1.362 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)CC)C1 ZINC000564794064 350662007 /nfs/dbraw/zinc/66/20/07/350662007.db2.gz SUTUYSQNYLUBNV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)CC)C1 ZINC000564794064 350662011 /nfs/dbraw/zinc/66/20/11/350662011.db2.gz SUTUYSQNYLUBNV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)CC)C1 ZINC000564794064 350662015 /nfs/dbraw/zinc/66/20/15/350662015.db2.gz SUTUYSQNYLUBNV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO Cc1ncc(CNCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000628308900 350784538 /nfs/dbraw/zinc/78/45/38/350784538.db2.gz PNUQCJBILNWQHZ-LBPRGKRZSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1ncc(CNCC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000628308900 350784544 /nfs/dbraw/zinc/78/45/44/350784544.db2.gz PNUQCJBILNWQHZ-LBPRGKRZSA-N 1 3 237.347 1.805 20 0 BDADHO Cc1nocc1CNCC1CC[NH+](C2CC2)CC1 ZINC000339379873 180506496 /nfs/dbraw/zinc/50/64/96/180506496.db2.gz TYDXNIXLDOBUKY-UHFFFAOYSA-N 1 3 249.358 1.947 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@@H](CO)CCF)CC1(C)C ZINC000623560503 362985282 /nfs/dbraw/zinc/98/52/82/362985282.db2.gz IFWFECYIKLEJBE-WDEREUQCSA-N 1 3 232.343 1.169 20 0 BDADHO C[N@H+]1CC[C@H](N[C@@H](CO)CCF)CC1(C)C ZINC000623560503 362985289 /nfs/dbraw/zinc/98/52/89/362985289.db2.gz IFWFECYIKLEJBE-WDEREUQCSA-N 1 3 232.343 1.169 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000251929350 362987079 /nfs/dbraw/zinc/98/70/79/362987079.db2.gz YPLLHDHUWPWLPF-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)C[C@@H]1C)C1CC1 ZINC000155850571 351544853 /nfs/dbraw/zinc/54/48/53/351544853.db2.gz LGBUDZLQQIVVFD-GXTWGEPZSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637817356 351661484 /nfs/dbraw/zinc/66/14/84/351661484.db2.gz UQKXFLCSLOAYNQ-NEPJUHHUSA-N 1 3 241.379 1.008 20 0 BDADHO CC[NH2+][C@@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000638066680 351938968 /nfs/dbraw/zinc/93/89/68/351938968.db2.gz KKVXHUTYSRIGLQ-NSHDSACASA-N 1 3 249.358 1.685 20 0 BDADHO CO[C@H](CNCCC[NH+]1CCCCC1)C1CC1 ZINC000638309572 352136962 /nfs/dbraw/zinc/13/69/62/352136962.db2.gz RSFWKSPCQQUFGJ-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO [NH3+][C@@H]1CC=C(C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000638259077 352103100 /nfs/dbraw/zinc/10/31/00/352103100.db2.gz BKSZUVSOIULHKO-GFCCVEGCSA-N 1 3 243.310 1.276 20 0 BDADHO CC[NH2+][C@@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000638273223 352110817 /nfs/dbraw/zinc/11/08/17/352110817.db2.gz ZPWZAWVONVTEOM-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000638333158 352151859 /nfs/dbraw/zinc/15/18/59/352151859.db2.gz OTMRPIFNXJIMGD-QWRGUYRKSA-N 1 3 243.395 1.240 20 0 BDADHO CC(C)N(C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000638337985 352157946 /nfs/dbraw/zinc/15/79/46/352157946.db2.gz OJTUZCSFQANPOE-ZDUSSCGKSA-N 1 3 228.380 1.875 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cc2cnccn2)C1 ZINC000638380596 352191028 /nfs/dbraw/zinc/19/10/28/352191028.db2.gz CUGWDZKMEDRHHV-STQMWFEESA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)Cc2cnccn2)C1 ZINC000638380596 352191032 /nfs/dbraw/zinc/19/10/32/352191032.db2.gz CUGWDZKMEDRHHV-STQMWFEESA-N 1 3 248.374 1.339 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)Cc2cnccn2)C1 ZINC000638380596 352191036 /nfs/dbraw/zinc/19/10/36/352191036.db2.gz CUGWDZKMEDRHHV-STQMWFEESA-N 1 3 248.374 1.339 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000638410534 352219657 /nfs/dbraw/zinc/21/96/57/352219657.db2.gz FIKCODWHECWFAA-NSHDSACASA-N 1 3 241.379 1.138 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000638452234 352261961 /nfs/dbraw/zinc/26/19/61/352261961.db2.gz VVVOSTJXQLJWAY-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCCC[C@@H](COC)N[C@H]1CCC[NH2+]CC1 ZINC000414918321 352273813 /nfs/dbraw/zinc/27/38/13/352273813.db2.gz RZXKRAVUBFHETK-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)N)ccc1F ZINC000415011570 352546873 /nfs/dbraw/zinc/54/68/73/352546873.db2.gz QSTIOKFLYWBPCL-ZJUUUORDSA-N 1 3 210.296 1.959 20 0 BDADHO Cc1ccc(CCCN[C@@H](C)[C@H](C)[NH3+])cn1 ZINC000415008532 352512238 /nfs/dbraw/zinc/51/22/38/352512238.db2.gz FDOGGLJNAGTBII-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO CN1CCC(O)(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638681929 352519480 /nfs/dbraw/zinc/51/94/80/352519480.db2.gz OQZDLHPCHQLGFT-CLLJXQQHSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CC[C@H]1CCCCO1 ZINC000300367534 352560747 /nfs/dbraw/zinc/56/07/47/352560747.db2.gz LETKIBXSAXCIML-JHJVBQTASA-N 1 3 226.364 1.757 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000300368481 352561020 /nfs/dbraw/zinc/56/10/20/352561020.db2.gz RDHFROIBRZUQTD-FRRDWIJNSA-N 1 3 226.364 1.805 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@@H]21)C1CC[NH2+]CC1 ZINC000043425692 352637222 /nfs/dbraw/zinc/63/72/22/352637222.db2.gz RDXMTKJGSMBUBN-KBPBESRZSA-N 1 3 238.375 1.629 20 0 BDADHO C1C[C@@H]([NH2+][C@H]2CCNC2)C2(C1)CCOCC2 ZINC000335023211 187815195 /nfs/dbraw/zinc/81/51/95/187815195.db2.gz PKWSCETUJGNNBY-NWDGAFQWSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000310238944 187824310 /nfs/dbraw/zinc/82/43/10/187824310.db2.gz LFJCDPTYELTWFZ-MCIONIFRSA-N 1 3 242.407 1.977 20 0 BDADHO C[C@H]1C[C@H](NC2CSC2)CC[N@@H+]1C ZINC000307677795 352755261 /nfs/dbraw/zinc/75/52/61/352755261.db2.gz MLDNZPWJOGVGTH-DTWKUNHWSA-N 1 3 200.351 1.174 20 0 BDADHO C[C@H]1C[C@H](NC2CSC2)CC[N@H+]1C ZINC000307677795 352755262 /nfs/dbraw/zinc/75/52/62/352755262.db2.gz MLDNZPWJOGVGTH-DTWKUNHWSA-N 1 3 200.351 1.174 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@H]3CCCO3)C2)C1 ZINC000334235403 352852525 /nfs/dbraw/zinc/85/25/25/352852525.db2.gz HAPWMTWYMUHVIK-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@]2(CCN(C[C@@H]3CCCO3)C2)C1 ZINC000334235403 352852527 /nfs/dbraw/zinc/85/25/27/352852527.db2.gz HAPWMTWYMUHVIK-KBPBESRZSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CC=C(C[NH2+]CC2CCSCC2)CC1 ZINC000638839041 353022971 /nfs/dbraw/zinc/02/29/71/353022971.db2.gz VKJYZMUDEJGBBE-UHFFFAOYSA-N 1 3 240.416 1.981 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820460 353000577 /nfs/dbraw/zinc/00/05/77/353000577.db2.gz WNYWFPIUYJHBSC-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO CCCC[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037619413 358475597 /nfs/dbraw/zinc/47/55/97/358475597.db2.gz YREHSSIPYWROMB-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO CC(C)([NH3+])CNC1Cc2ccccc2C1 ZINC000261531326 535208801 /nfs/dbraw/zinc/20/88/01/535208801.db2.gz GCXXAJQEOOFZPE-UHFFFAOYSA-N 1 3 204.317 1.481 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](C)CO)C1 ZINC000678044924 538114980 /nfs/dbraw/zinc/11/49/80/538114980.db2.gz VRRWUIXXWRQVJO-STQMWFEESA-N 1 3 228.380 1.279 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)CO)C1 ZINC000678044924 538114981 /nfs/dbraw/zinc/11/49/81/538114981.db2.gz VRRWUIXXWRQVJO-STQMWFEESA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678044924 538114982 /nfs/dbraw/zinc/11/49/82/538114982.db2.gz VRRWUIXXWRQVJO-STQMWFEESA-N 1 3 228.380 1.279 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678044924 538114983 /nfs/dbraw/zinc/11/49/83/538114983.db2.gz VRRWUIXXWRQVJO-STQMWFEESA-N 1 3 228.380 1.279 20 0 BDADHO CC[C@H](N)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639071160 353386975 /nfs/dbraw/zinc/38/69/75/353386975.db2.gz GKWBXSCARGTSHC-PWSUYJOCSA-N 1 3 247.342 1.203 20 0 BDADHO C[C@H](CC(N)=O)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000220432278 353836544 /nfs/dbraw/zinc/83/65/44/353836544.db2.gz XEJMKZCMDWAZQP-UTUOFQBUSA-N 1 3 241.379 1.151 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000334558975 354007646 /nfs/dbraw/zinc/00/76/46/354007646.db2.gz JEQWWQCAKJKXLU-PWSUYJOCSA-N 1 3 244.342 1.732 20 0 BDADHO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000344037215 354102397 /nfs/dbraw/zinc/10/23/97/354102397.db2.gz ILGZABSTGYCWBK-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449683817 202003431 /nfs/dbraw/zinc/00/34/31/202003431.db2.gz OBKINJXCALUZBK-WOPDTQHZSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000231676165 363347363 /nfs/dbraw/zinc/34/73/63/363347363.db2.gz UYSBWWFIRBDLDJ-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2=CCN(C)CC2)C1 ZINC000344304470 354215355 /nfs/dbraw/zinc/21/53/55/354215355.db2.gz UKIMGRNKFYCXTD-TZMCWYRMSA-N 1 3 237.391 1.178 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)C1(C)C ZINC000233766574 363407683 /nfs/dbraw/zinc/40/76/83/363407683.db2.gz NQRLZTZMHOHKKL-GARJFASQSA-N 1 3 214.353 1.374 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccccc1N(C)C ZINC000346693070 355076306 /nfs/dbraw/zinc/07/63/06/355076306.db2.gz KQZLTPWNUXXVQV-STQMWFEESA-N 1 3 247.386 1.922 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)C(C)(C)N)c1 ZINC000335235655 355097013 /nfs/dbraw/zinc/09/70/13/355097013.db2.gz CHAAASTWCBHHIL-UHFFFAOYSA-N 1 3 221.304 1.130 20 0 BDADHO CCOC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346971041 355207628 /nfs/dbraw/zinc/20/76/28/355207628.db2.gz GUNLGCTXJYUUOD-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346971041 355207630 /nfs/dbraw/zinc/20/76/30/355207630.db2.gz GUNLGCTXJYUUOD-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CCOC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971041 355207632 /nfs/dbraw/zinc/20/76/32/355207632.db2.gz GUNLGCTXJYUUOD-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CC[C@@H](CN1CC[C@]2(CC[N@H+](C)C2)C1)OC ZINC000412975581 191346718 /nfs/dbraw/zinc/34/67/18/191346718.db2.gz FYNJLTRXOKFZAH-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@@H](CN1CC[C@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975581 191346721 /nfs/dbraw/zinc/34/67/21/191346721.db2.gz FYNJLTRXOKFZAH-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO FC(F)C1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000335616251 355322511 /nfs/dbraw/zinc/32/25/11/355322511.db2.gz UVMGXGGQUSNMKG-RTBKNWGFSA-N 1 3 218.291 1.762 20 0 BDADHO CO[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000191202098 355345691 /nfs/dbraw/zinc/34/56/91/355345691.db2.gz IRLYORJWSNWTBA-WAAKLRNESA-N 1 3 212.337 1.236 20 0 BDADHO CO[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000191202098 355345695 /nfs/dbraw/zinc/34/56/95/355345695.db2.gz IRLYORJWSNWTBA-WAAKLRNESA-N 1 3 212.337 1.236 20 0 BDADHO c1c[nH]c(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000335787318 355437755 /nfs/dbraw/zinc/43/77/55/355437755.db2.gz HQDPEVVTLUXONZ-GFCCVEGCSA-N 1 3 248.374 1.589 20 0 BDADHO CCCC[C@@H](COC)NC[C@@H](C)C[NH2+]C ZINC000414834807 191594769 /nfs/dbraw/zinc/59/47/69/191594769.db2.gz HVBJARHQSPBCQW-RYUDHWBXSA-N 1 3 216.369 1.637 20 0 BDADHO [NH3+]C[C@@H]1CCN(Cc2cccc3c[nH]nc32)C1 ZINC000335856008 355600455 /nfs/dbraw/zinc/60/04/55/355600455.db2.gz SWWJOLMDOCIVJF-JTQLQIEISA-N 1 3 230.315 1.344 20 0 BDADHO C[C@@H](NC[C@@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000389107881 355676638 /nfs/dbraw/zinc/67/66/38/355676638.db2.gz MKVPZFJLQHDQAW-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)(O)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250373233 535293209 /nfs/dbraw/zinc/29/32/09/535293209.db2.gz XGXUYAWSZFAZRK-NEPJUHHUSA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)COCCN[C@](C)(C[NH3+])C1CC1 ZINC000420289366 192201708 /nfs/dbraw/zinc/20/17/08/192201708.db2.gz KFQMTVHNQDJRAS-GFCCVEGCSA-N 1 3 214.353 1.376 20 0 BDADHO CCOC(=O)CCCCN(C)C1CC([NH3+])C1 ZINC000420342913 192215578 /nfs/dbraw/zinc/21/55/78/192215578.db2.gz VZLPARJPAAOVSL-UHFFFAOYSA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CCCC[N@H+](C)C1CC(N)C1 ZINC000420342913 192215581 /nfs/dbraw/zinc/21/55/81/192215581.db2.gz VZLPARJPAAOVSL-UHFFFAOYSA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CCCC[N@@H+](C)C1CC(N)C1 ZINC000420342913 192215583 /nfs/dbraw/zinc/21/55/83/192215583.db2.gz VZLPARJPAAOVSL-UHFFFAOYSA-N 1 3 228.336 1.141 20 0 BDADHO C[C@@H]1CCC[C@H](CC[N@H+](C)C[C@@H](O)CN)C1 ZINC000420353975 192218260 /nfs/dbraw/zinc/21/82/60/192218260.db2.gz NQFFEJVXKVXSLQ-UPJWGTAASA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@H](CC[N@@H+](C)C[C@@H](O)CN)C1 ZINC000420353975 192218261 /nfs/dbraw/zinc/21/82/61/192218261.db2.gz NQFFEJVXKVXSLQ-UPJWGTAASA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@H](CCN(C)C[C@@H](O)C[NH3+])C1 ZINC000420353975 192218263 /nfs/dbraw/zinc/21/82/63/192218263.db2.gz NQFFEJVXKVXSLQ-UPJWGTAASA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@@H](CC[N@H+](C)C[C@H](O)CN)C1 ZINC000420353673 192218287 /nfs/dbraw/zinc/21/82/87/192218287.db2.gz NQFFEJVXKVXSLQ-FRRDWIJNSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)C[C@H](O)CN)C1 ZINC000420353673 192218289 /nfs/dbraw/zinc/21/82/89/192218289.db2.gz NQFFEJVXKVXSLQ-FRRDWIJNSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1CCC[C@@H](CCN(C)C[C@H](O)C[NH3+])C1 ZINC000420353673 192218291 /nfs/dbraw/zinc/21/82/91/192218291.db2.gz NQFFEJVXKVXSLQ-FRRDWIJNSA-N 1 3 228.380 1.454 20 0 BDADHO CCN(CCCF)[C@H]1CCC[NH2+]CC1 ZINC000420306438 192208930 /nfs/dbraw/zinc/20/89/30/192208930.db2.gz HLMOXKJSMCBRJP-NSHDSACASA-N 1 3 202.317 1.810 20 0 BDADHO CC[N@H+](CCCF)[C@H]1CCCNCC1 ZINC000420306438 192208933 /nfs/dbraw/zinc/20/89/33/192208933.db2.gz HLMOXKJSMCBRJP-NSHDSACASA-N 1 3 202.317 1.810 20 0 BDADHO CC[N@@H+](CCCF)[C@H]1CCCNCC1 ZINC000420306438 192208936 /nfs/dbraw/zinc/20/89/36/192208936.db2.gz HLMOXKJSMCBRJP-NSHDSACASA-N 1 3 202.317 1.810 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000420311128 192211701 /nfs/dbraw/zinc/21/17/01/192211701.db2.gz GVJLWCMFDISWLQ-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CCCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000420311128 192211703 /nfs/dbraw/zinc/21/17/03/192211703.db2.gz GVJLWCMFDISWLQ-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@H](N)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000420361942 192222326 /nfs/dbraw/zinc/22/23/26/192222326.db2.gz NUIBOEOJEKSUHU-GFCCVEGCSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H](CN(C)CCOCC[NH3+])c1nccs1 ZINC000420365119 192224369 /nfs/dbraw/zinc/22/43/69/192224369.db2.gz RUPQLHCNIGTMNX-SNVBAGLBSA-N 1 3 243.376 1.154 20 0 BDADHO COC(=O)CCCN[C@H](C[NH3+])C1CCCCC1 ZINC000420367147 192225272 /nfs/dbraw/zinc/22/52/72/192225272.db2.gz MPGYKUVSOGFJCW-GFCCVEGCSA-N 1 3 242.363 1.437 20 0 BDADHO CCOCCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420384462 192235493 /nfs/dbraw/zinc/23/54/93/192235493.db2.gz DVNNHRKKXKFPDO-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H](C)NC[C@H]1C ZINC000420394433 192237403 /nfs/dbraw/zinc/23/74/03/192237403.db2.gz KOMCDNUYDVKKQO-NWDGAFQWSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H](C)NC[C@H]1C ZINC000420394433 192237406 /nfs/dbraw/zinc/23/74/06/192237406.db2.gz KOMCDNUYDVKKQO-NWDGAFQWSA-N 1 3 236.363 1.264 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1NCC[NH3+] ZINC000420404953 192237988 /nfs/dbraw/zinc/23/79/88/192237988.db2.gz MMNUCOFQZSRLSS-MNOVXSKESA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420412518 192241227 /nfs/dbraw/zinc/24/12/27/192241227.db2.gz SGYNQWJREWEEJN-UBHSHLNASA-N 1 3 233.359 1.369 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420412518 192241230 /nfs/dbraw/zinc/24/12/30/192241230.db2.gz SGYNQWJREWEEJN-UBHSHLNASA-N 1 3 233.359 1.369 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCCc1ccncc1 ZINC000420380636 192233196 /nfs/dbraw/zinc/23/31/96/192233196.db2.gz YLMPGTJOIVLUHJ-UMVBOHGHSA-N 1 3 247.386 1.990 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCCc1ccncc1 ZINC000420380634 192233429 /nfs/dbraw/zinc/23/34/29/192233429.db2.gz YLMPGTJOIVLUHJ-NFAWXSAZSA-N 1 3 247.386 1.990 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505671 356484312 /nfs/dbraw/zinc/48/43/12/356484312.db2.gz BCPJNVPIQGSBGI-MNOVXSKESA-N 1 3 243.395 1.064 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612814 356537242 /nfs/dbraw/zinc/53/72/42/356537242.db2.gz NNBDIXPDVAXQTP-CYBMUJFWSA-N 1 3 249.358 1.703 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639612814 356537245 /nfs/dbraw/zinc/53/72/45/356537245.db2.gz NNBDIXPDVAXQTP-CYBMUJFWSA-N 1 3 249.358 1.703 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000421020961 192306577 /nfs/dbraw/zinc/30/65/77/192306577.db2.gz NTVMWDWRGOHVIW-FRRDWIJNSA-N 1 3 226.364 1.316 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1CC[C@@H]1CCC[N@H+]1C ZINC000421020961 192306579 /nfs/dbraw/zinc/30/65/79/192306579.db2.gz NTVMWDWRGOHVIW-FRRDWIJNSA-N 1 3 226.364 1.316 20 0 BDADHO COC[C@@H](C)[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682641 356592786 /nfs/dbraw/zinc/59/27/86/356592786.db2.gz GNUBABXMHGSCHV-CYBMUJFWSA-N 1 3 249.358 1.629 20 0 BDADHO COC[C@@H](C)[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682641 356592787 /nfs/dbraw/zinc/59/27/87/356592787.db2.gz GNUBABXMHGSCHV-CYBMUJFWSA-N 1 3 249.358 1.629 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423001910 192523463 /nfs/dbraw/zinc/52/34/63/192523463.db2.gz FGTCFQYDXAGXSO-SDDRHHMPSA-N 1 3 216.369 1.501 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+][C@H](CCO)C(C)(C)C ZINC000423041159 192549222 /nfs/dbraw/zinc/54/92/22/192549222.db2.gz WGFMUNZZNLDVIH-HBNTYKKESA-N 1 3 216.369 1.499 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@H]1CCCOC1 ZINC000423048188 192551643 /nfs/dbraw/zinc/55/16/43/192551643.db2.gz VVZSGYXCGCBFDH-DGAVXFQQSA-N 1 3 240.391 1.779 20 0 BDADHO CCc1cc(N(C)CCN(C)C)cc[nH+]1 ZINC000450362849 202142812 /nfs/dbraw/zinc/14/28/12/202142812.db2.gz HKWMWWQXUJBPQE-UHFFFAOYSA-N 1 3 207.321 1.642 20 0 BDADHO CN1CC[C@@H]([NH2+]CCN2CCCC2)CC1(C)C ZINC000623339883 356737811 /nfs/dbraw/zinc/73/78/11/356737811.db2.gz NZDCERUBLJSSJQ-CYBMUJFWSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000578193619 366379319 /nfs/dbraw/zinc/37/93/19/366379319.db2.gz IRUWKYMBHVQAKB-XWLWVQCSSA-N 1 3 202.317 1.983 20 0 BDADHO CCC[C@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000450468775 202174563 /nfs/dbraw/zinc/17/45/63/202174563.db2.gz PFARACSTLQSAIV-RDBSUJKOSA-N 1 3 242.407 1.952 20 0 BDADHO CCC[C@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000450468775 202174564 /nfs/dbraw/zinc/17/45/64/202174564.db2.gz PFARACSTLQSAIV-RDBSUJKOSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)C[C@H](CN)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000423269607 192662950 /nfs/dbraw/zinc/66/29/50/192662950.db2.gz VXIJHSVNEMPMBT-RWMBFGLXSA-N 1 3 227.396 1.432 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000393434826 357309092 /nfs/dbraw/zinc/30/90/92/357309092.db2.gz WLXZWDSRDQKEQU-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO COC[C@H](C)C[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425899 357254105 /nfs/dbraw/zinc/25/41/05/357254105.db2.gz YUJPEQMTQKBTEY-OLZOCXBDSA-N 1 3 228.380 1.590 20 0 BDADHO COc1ncccc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582735002 357376749 /nfs/dbraw/zinc/37/67/49/357376749.db2.gz ALJBGTCSRPZNKO-OLZOCXBDSA-N 1 3 249.358 1.492 20 0 BDADHO Cc1ncc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)n1C ZINC000582916581 357436028 /nfs/dbraw/zinc/43/60/28/357436028.db2.gz WBNVXFBRRMHIEC-CMPLNLGQSA-N 1 3 236.363 1.301 20 0 BDADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccoc1 ZINC000397624197 357616659 /nfs/dbraw/zinc/61/66/59/357616659.db2.gz XGOVGAZHYYMBHM-LLVKDONJSA-N 1 3 238.331 1.387 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCC2=CCOCC2)C1 ZINC000397770350 357695261 /nfs/dbraw/zinc/69/52/61/357695261.db2.gz PMOLLADKDSNERR-RYUDHWBXSA-N 1 3 210.321 1.193 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000191590395 357786673 /nfs/dbraw/zinc/78/66/73/357786673.db2.gz AVOYZGXFTOFBHX-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000191590395 357786680 /nfs/dbraw/zinc/78/66/80/357786680.db2.gz AVOYZGXFTOFBHX-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@H]1C(C)(C)O ZINC000191590395 357786686 /nfs/dbraw/zinc/78/66/86/357786686.db2.gz AVOYZGXFTOFBHX-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO COC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCC1 ZINC000193274452 357872418 /nfs/dbraw/zinc/87/24/18/357872418.db2.gz QFBGMFRFNQMNNY-YHWZYXNKSA-N 1 3 238.375 1.770 20 0 BDADHO COC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC1 ZINC000193274452 357872423 /nfs/dbraw/zinc/87/24/23/357872423.db2.gz QFBGMFRFNQMNNY-YHWZYXNKSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@]1(CO)CCCN1CCC[NH+]1CCCC1 ZINC000546104728 325265826 /nfs/dbraw/zinc/26/58/26/325265826.db2.gz NXBZETOBJSSQFV-CYBMUJFWSA-N 1 3 226.364 1.319 20 0 BDADHO CN[C@@H](C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000584665074 358123082 /nfs/dbraw/zinc/12/30/82/358123082.db2.gz ZIRVDIGFAFMWMO-VIFPVBQESA-N 1 3 221.304 1.000 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623421193 358165866 /nfs/dbraw/zinc/16/58/66/358165866.db2.gz BEEAECBAEGOJHZ-NWDGAFQWSA-N 1 3 228.380 1.466 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623421193 358165867 /nfs/dbraw/zinc/16/58/67/358165867.db2.gz BEEAECBAEGOJHZ-NWDGAFQWSA-N 1 3 228.380 1.466 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000223720521 358230535 /nfs/dbraw/zinc/23/05/35/358230535.db2.gz RDHFROIBRZUQTD-UPJWGTAASA-N 1 3 226.364 1.805 20 0 BDADHO CC[NH+]1CCC(CNCc2cc[nH]n2)CC1 ZINC000044517737 358388973 /nfs/dbraw/zinc/38/89/73/358388973.db2.gz DAQDBLMPUIHWCR-UHFFFAOYSA-N 1 3 222.336 1.231 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000230209545 358396261 /nfs/dbraw/zinc/39/62/61/358396261.db2.gz DLYYIGLMBAYDTF-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO CCC(CC)(CO)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230209545 358396264 /nfs/dbraw/zinc/39/62/64/358396264.db2.gz DLYYIGLMBAYDTF-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)NC ZINC000230712848 358411035 /nfs/dbraw/zinc/41/10/35/358411035.db2.gz QDIKKKGITLWXIB-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C[C@@H]1CCCOC1 ZINC000044982060 358398663 /nfs/dbraw/zinc/39/86/63/358398663.db2.gz JKKMCGOAWBBARK-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1C[C@@H]1CCCOC1 ZINC000044982060 358398666 /nfs/dbraw/zinc/39/86/66/358398666.db2.gz JKKMCGOAWBBARK-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCOC1 ZINC000044982060 358398668 /nfs/dbraw/zinc/39/86/68/358398668.db2.gz JKKMCGOAWBBARK-WOPDTQHZSA-N 1 3 212.337 1.225 20 0 BDADHO CCC[C@H](CC)[NH2+]CCOCCN(C)C ZINC000219317492 134281458 /nfs/dbraw/zinc/28/14/58/134281458.db2.gz SFULKBVCUFBQPJ-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO CC[C@H](C)[C@H](C)[NH2+]CCOCCN(C)C ZINC000219313153 134281608 /nfs/dbraw/zinc/28/16/08/134281608.db2.gz CFHIWTXPNYNICR-RYUDHWBXSA-N 1 3 216.369 1.589 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2ccco2)CC[N@@H+]1C ZINC000129668690 358592271 /nfs/dbraw/zinc/59/22/71/358592271.db2.gz OAWUAXKSRJLLKG-NEPJUHHUSA-N 1 3 222.332 1.894 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2ccco2)CC[N@H+]1C ZINC000129668690 358592273 /nfs/dbraw/zinc/59/22/73/358592273.db2.gz OAWUAXKSRJLLKG-NEPJUHHUSA-N 1 3 222.332 1.894 20 0 BDADHO CC(C)(C)CCN1CCN(CCC[NH3+])CC1 ZINC000049254377 358678533 /nfs/dbraw/zinc/67/85/33/358678533.db2.gz UWDNMJPABFSIEI-UHFFFAOYSA-N 1 3 227.396 1.389 20 0 BDADHO CC[C@H](O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000135029212 358816929 /nfs/dbraw/zinc/81/69/29/358816929.db2.gz FRZJISKFOJKXEV-FQUUOJAGSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000054111218 358853099 /nfs/dbraw/zinc/85/30/99/358853099.db2.gz IXZLIABVPNXCAQ-MCIONIFRSA-N 1 3 241.423 1.645 20 0 BDADHO CN(CCCCCO)CC[C@H]1CCCC[N@@H+]1C ZINC000075860192 359229783 /nfs/dbraw/zinc/22/97/83/359229783.db2.gz KTDJOSAPPJJLEP-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CN(CCCCCO)CC[C@H]1CCCC[N@H+]1C ZINC000075860192 359229789 /nfs/dbraw/zinc/22/97/89/359229789.db2.gz KTDJOSAPPJJLEP-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H]1CCCO1 ZINC000247338168 359213838 /nfs/dbraw/zinc/21/38/38/359213838.db2.gz FXQZOKPVTZUWGO-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H]1CCCO1 ZINC000247338168 359213839 /nfs/dbraw/zinc/21/38/39/359213839.db2.gz FXQZOKPVTZUWGO-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CCC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423419131 192750235 /nfs/dbraw/zinc/75/02/35/192750235.db2.gz AMYSJGNBGQEGNH-BNDIWNMDSA-N 1 3 208.349 1.763 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000580465332 359570244 /nfs/dbraw/zinc/57/02/44/359570244.db2.gz FANCYJCFSJRYQW-RQJABVFESA-N 1 3 238.375 1.804 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000580465333 359570397 /nfs/dbraw/zinc/57/03/97/359570397.db2.gz FANCYJCFSJRYQW-XJFOESAGSA-N 1 3 238.375 1.804 20 0 BDADHO Cc1ccsc1C[NH2+]C1CCNCC1 ZINC000087308620 359906551 /nfs/dbraw/zinc/90/65/51/359906551.db2.gz NMHRLUAJAPKGCT-UHFFFAOYSA-N 1 3 210.346 1.898 20 0 BDADHO OC1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000090799961 360088998 /nfs/dbraw/zinc/08/89/98/360088998.db2.gz YKQGSUPOBNAGAZ-CEUNDQEZSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090799961 360089005 /nfs/dbraw/zinc/08/90/05/360089005.db2.gz YKQGSUPOBNAGAZ-CEUNDQEZSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000090799961 360089009 /nfs/dbraw/zinc/08/90/09/360089009.db2.gz YKQGSUPOBNAGAZ-CEUNDQEZSA-N 1 3 238.375 1.506 20 0 BDADHO Cc1c(CNCC2CC[NH+](C)CC2)cnn1C ZINC000093650193 360268197 /nfs/dbraw/zinc/26/81/97/360268197.db2.gz KQLKCVMCAUHXFA-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc(OC(F)F)c1 ZINC000414882363 200774677 /nfs/dbraw/zinc/77/46/77/200774677.db2.gz UDNUJDUTOIJZBL-VIFPVBQESA-N 1 3 244.285 1.972 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000069908611 361013963 /nfs/dbraw/zinc/01/39/63/361013963.db2.gz SSCOMXVEGUVBQE-OUAUKWLOSA-N 1 3 214.378 1.422 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000629387527 361038855 /nfs/dbraw/zinc/03/88/55/361038855.db2.gz FADUVFGJIRCESI-AUZPSNTRSA-N 1 3 237.391 1.342 20 0 BDADHO CCc1ccc(CNCCOCCC[NH3+])s1 ZINC000629398876 361045934 /nfs/dbraw/zinc/04/59/34/361045934.db2.gz INWLODQTRCSPJE-UHFFFAOYSA-N 1 3 242.388 1.766 20 0 BDADHO [NH3+]CCCOCCNCc1ccccc1F ZINC000629398571 361049047 /nfs/dbraw/zinc/04/90/47/361049047.db2.gz VFFDMXWQUYJICY-UHFFFAOYSA-N 1 3 226.295 1.281 20 0 BDADHO Cc1ccc(CNCCOCCC[NH3+])cc1 ZINC000629398366 361049482 /nfs/dbraw/zinc/04/94/82/361049482.db2.gz RTWGCHSYIJCOHZ-UHFFFAOYSA-N 1 3 222.332 1.450 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410581 361060745 /nfs/dbraw/zinc/06/07/45/361060745.db2.gz HBWHGHPAIILXEY-NRWUCQMLSA-N 1 3 237.391 1.199 20 0 BDADHO CCO[C@H](CN1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000629519281 361119859 /nfs/dbraw/zinc/11/98/59/361119859.db2.gz OITXLURMDLCRQV-KGLIPLIRSA-N 1 3 238.375 1.487 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOC1CCOCC1 ZINC000629513039 361106166 /nfs/dbraw/zinc/10/61/66/361106166.db2.gz DSEYOZJQFKWGCX-CYBMUJFWSA-N 1 3 244.379 1.145 20 0 BDADHO CCO[C@H](CN1CCC[C@H](C)[C@@H]1C[NH3+])C1CC1 ZINC000629515064 361112887 /nfs/dbraw/zinc/11/28/87/361112887.db2.gz QKDRQETZUXQDMU-FPMFFAJLSA-N 1 3 240.391 1.861 20 0 BDADHO CCO[C@@H](CN(C)CCC[NH3+])C1CC1 ZINC000629515425 361114393 /nfs/dbraw/zinc/11/43/93/361114393.db2.gz SHIUYQKHVAYUOW-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccc(C)s1 ZINC000629528622 361136535 /nfs/dbraw/zinc/13/65/35/361136535.db2.gz FILYXRFKEUARGW-LLVKDONJSA-N 1 3 242.388 1.943 20 0 BDADHO C[NH2+]CCOCCN[C@H]1CCc2c1cccc2C ZINC000629528991 361138076 /nfs/dbraw/zinc/13/80/76/361138076.db2.gz OPDFXPMBZZFGJO-HNNXBMFYSA-N 1 3 248.370 1.808 20 0 BDADHO C[NH2+]CCOCCN[C@@H]1CCCc2cccnc21 ZINC000629530537 361144374 /nfs/dbraw/zinc/14/43/74/361144374.db2.gz JKJKBRMWDYCTNZ-CYBMUJFWSA-N 1 3 249.358 1.285 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCN[C@H]1CC)[C@H]1CCOC1 ZINC000629526220 361127694 /nfs/dbraw/zinc/12/76/94/361127694.db2.gz NOIOIADRZVUWIX-ZDEQEGDKSA-N 1 3 226.364 1.532 20 0 BDADHO CCSCCN1CC[C@H](C[NH2+]C)C1 ZINC000158573051 361204191 /nfs/dbraw/zinc/20/41/91/361204191.db2.gz XBASXAHPQIWQKD-SNVBAGLBSA-N 1 3 202.367 1.281 20 0 BDADHO CNCc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000428296036 201005797 /nfs/dbraw/zinc/00/57/97/201005797.db2.gz VETDUEMSKUTNES-LBPRGKRZSA-N 1 3 247.342 1.487 20 0 BDADHO C[C@@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000622044546 370676679 /nfs/dbraw/zinc/67/66/79/370676679.db2.gz KAEXDAKXVBWLPA-ZWMSFMBMSA-N 1 3 226.364 1.374 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+]CC[C@H](C)N)CCO1 ZINC000622045146 370678343 /nfs/dbraw/zinc/67/83/43/370678343.db2.gz DCGZYSXKMWIVIO-SDDRHHMPSA-N 1 3 214.353 1.517 20 0 BDADHO Cc1ncc([C@H](C)NCCOCCC[NH3+])s1 ZINC000629536973 361399837 /nfs/dbraw/zinc/39/98/37/361399837.db2.gz ISPJZXBVAVIBNK-VIFPVBQESA-N 1 3 243.376 1.468 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000629555011 361436787 /nfs/dbraw/zinc/43/67/87/361436787.db2.gz PXRYQQCFCFMZGX-RVMXOQNASA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000629550055 361443308 /nfs/dbraw/zinc/44/33/08/361443308.db2.gz XIDUDZQARNAHAI-GAIPPQHRSA-N 1 3 212.337 1.269 20 0 BDADHO CN(CCN[C@H]1CCCC[C@@H]1C[NH3+])CC(F)F ZINC000629556773 361445423 /nfs/dbraw/zinc/44/54/23/361445423.db2.gz YLXRRIYRHZALLA-MNOVXSKESA-N 1 3 249.349 1.290 20 0 BDADHO CN(CC[NH2+][C@H]1CCCC[C@@H]1CN)CC(F)F ZINC000629556773 361445425 /nfs/dbraw/zinc/44/54/25/361445425.db2.gz YLXRRIYRHZALLA-MNOVXSKESA-N 1 3 249.349 1.290 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1ccc(F)cc1 ZINC000629567315 361458291 /nfs/dbraw/zinc/45/82/91/361458291.db2.gz JYTLQSOFXBJWFD-UHFFFAOYSA-N 1 3 240.322 1.494 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccc(C2CC2)cc1 ZINC000629581008 361470793 /nfs/dbraw/zinc/47/07/93/361470793.db2.gz JUVFHLZEEDENQT-UHFFFAOYSA-N 1 3 248.370 1.971 20 0 BDADHO NCc1cccc2c1N(C[C@H]1CC[NH2+]C1)CCC2 ZINC000629558307 361452688 /nfs/dbraw/zinc/45/26/88/361452688.db2.gz FOMVTMPRLVGJGY-LBPRGKRZSA-N 1 3 245.370 1.507 20 0 BDADHO Cn1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000629654419 361558506 /nfs/dbraw/zinc/55/85/06/361558506.db2.gz OELPUNAZHDUOEH-HNNXBMFYSA-N 1 3 247.386 1.847 20 0 BDADHO CS[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000448545871 201198764 /nfs/dbraw/zinc/19/87/64/201198764.db2.gz NWQWRBHOJPNUGX-VXGBXAGGSA-N 1 3 228.405 1.908 20 0 BDADHO CS[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000448545871 201198767 /nfs/dbraw/zinc/19/87/67/201198767.db2.gz NWQWRBHOJPNUGX-VXGBXAGGSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H](N(C)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546765 201202339 /nfs/dbraw/zinc/20/23/39/201202339.db2.gz MFMPEHSLLNKQFI-NEPJUHHUSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@@H](N(C)CC[C@@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546765 201202342 /nfs/dbraw/zinc/20/23/42/201202342.db2.gz MFMPEHSLLNKQFI-NEPJUHHUSA-N 1 3 228.380 1.562 20 0 BDADHO Cc1cnccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000629649269 361544426 /nfs/dbraw/zinc/54/44/26/361544426.db2.gz NXQGOJXCDOSFLK-CYBMUJFWSA-N 1 3 231.343 1.622 20 0 BDADHO COC1(C[N@H+](C)CC(C)(C)N)CCCC1 ZINC000629650336 361547897 /nfs/dbraw/zinc/54/78/97/361547897.db2.gz RPOREURZIKVALD-UHFFFAOYSA-N 1 3 214.353 1.615 20 0 BDADHO COC1(C[N@@H+](C)CC(C)(C)N)CCCC1 ZINC000629650336 361547903 /nfs/dbraw/zinc/54/79/03/361547903.db2.gz RPOREURZIKVALD-UHFFFAOYSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@H]1CCCN(Cc2ccn(C)c2)[C@@H]1CC[NH3+] ZINC000629650701 361548082 /nfs/dbraw/zinc/54/80/82/361548082.db2.gz ZTAASMMBWUNKBA-GXTWGEPZSA-N 1 3 235.375 1.974 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CC1=CCCOC1)C2 ZINC000629650606 361548344 /nfs/dbraw/zinc/54/83/44/361548344.db2.gz XYZYNDJVOCYBJU-KBPBESRZSA-N 1 3 236.359 1.394 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CC1=CCCOC1)C2 ZINC000629650606 361548350 /nfs/dbraw/zinc/54/83/50/361548350.db2.gz XYZYNDJVOCYBJU-KBPBESRZSA-N 1 3 236.359 1.394 20 0 BDADHO [NH3+]C[C@]12CCC[C@H]1CN(CC1=CCCOC1)C2 ZINC000629650606 361548356 /nfs/dbraw/zinc/54/83/56/361548356.db2.gz XYZYNDJVOCYBJU-KBPBESRZSA-N 1 3 236.359 1.394 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCCN(CC2=CCCOC2)C1 ZINC000629651822 361557391 /nfs/dbraw/zinc/55/73/91/361557391.db2.gz KSTXVHOUUANYMK-YPMHNXCESA-N 1 3 224.348 1.392 20 0 BDADHO Cn1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000629651896 361557479 /nfs/dbraw/zinc/55/74/79/361557479.db2.gz NRVMEMOMTJJVCG-OAHLLOKOSA-N 1 3 247.386 1.989 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739544 361574229 /nfs/dbraw/zinc/57/42/29/361574229.db2.gz ZREMEQCTKKJMGV-STQMWFEESA-N 1 3 224.348 1.440 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCC1=CCCOC1 ZINC000379739544 361574234 /nfs/dbraw/zinc/57/42/34/361574234.db2.gz ZREMEQCTKKJMGV-STQMWFEESA-N 1 3 224.348 1.440 20 0 BDADHO CC[C@](C)([NH2+]CCCN1CCCCC1)C(N)=O ZINC000161902355 201230996 /nfs/dbraw/zinc/23/09/96/201230996.db2.gz YZFYCVNSRIYOMD-ZDUSSCGKSA-N 1 3 241.379 1.106 20 0 BDADHO CC[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000435388716 201266906 /nfs/dbraw/zinc/26/69/06/201266906.db2.gz GWEIRQQMOCSVOY-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCNCC1 ZINC000435388716 201266910 /nfs/dbraw/zinc/26/69/10/201266910.db2.gz GWEIRQQMOCSVOY-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CCN(CCOCCOC)[C@H]1CCC[NH2+]CC1 ZINC000435617732 201278603 /nfs/dbraw/zinc/27/86/03/201278603.db2.gz OEAQQZSTBWNMOH-ZDUSSCGKSA-N 1 3 244.379 1.113 20 0 BDADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCCN ZINC000437771076 201371407 /nfs/dbraw/zinc/37/14/07/201371407.db2.gz GPFOVJPQRAQJJW-NSHDSACASA-N 1 3 246.358 1.822 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000438179528 201396383 /nfs/dbraw/zinc/39/63/83/201396383.db2.gz OOPHXZQVVJUYHX-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248119515 364627309 /nfs/dbraw/zinc/62/73/09/364627309.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000248119515 364627314 /nfs/dbraw/zinc/62/73/14/364627314.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248119515 364627318 /nfs/dbraw/zinc/62/73/18/364627318.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248119515 364627322 /nfs/dbraw/zinc/62/73/22/364627322.db2.gz NETAXUXTSYKSQU-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@](C)(CC)C1 ZINC000573574292 364865630 /nfs/dbraw/zinc/86/56/30/364865630.db2.gz QXCKUYGKNICCPR-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@](C)(CC)C1 ZINC000573574292 364865633 /nfs/dbraw/zinc/86/56/33/364865633.db2.gz QXCKUYGKNICCPR-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)[C@H](C)O)C1 ZINC000573914376 364944198 /nfs/dbraw/zinc/94/41/98/364944198.db2.gz ZUUZRLAKCDFDRH-MELADBBJSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000573914376 364944203 /nfs/dbraw/zinc/94/42/03/364944203.db2.gz ZUUZRLAKCDFDRH-MELADBBJSA-N 1 3 242.407 1.713 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)[C@H](C)O)C1 ZINC000573914376 364944207 /nfs/dbraw/zinc/94/42/07/364944207.db2.gz ZUUZRLAKCDFDRH-MELADBBJSA-N 1 3 242.407 1.713 20 0 BDADHO [NH3+]CCCCNCc1ccn(-c2ccccc2)n1 ZINC000124900487 181377493 /nfs/dbraw/zinc/37/74/93/181377493.db2.gz VGHAPFAJFRMRSE-UHFFFAOYSA-N 1 3 244.342 1.701 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000168590083 364964433 /nfs/dbraw/zinc/96/44/33/364964433.db2.gz ZCCDMXXTSCRRKS-NWDGAFQWSA-N 1 3 226.364 1.399 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCC2(CO)CCCC2)C1 ZINC000168590083 364964440 /nfs/dbraw/zinc/96/44/40/364964440.db2.gz ZCCDMXXTSCRRKS-NWDGAFQWSA-N 1 3 226.364 1.399 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC(C)(C)C[C@H]1C ZINC000574050127 364977207 /nfs/dbraw/zinc/97/72/07/364977207.db2.gz BVFOWPJFJQVCRD-NEPJUHHUSA-N 1 3 228.380 1.419 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC(C)(C)C[C@H]1C ZINC000574050127 364977212 /nfs/dbraw/zinc/97/72/12/364977212.db2.gz BVFOWPJFJQVCRD-NEPJUHHUSA-N 1 3 228.380 1.419 20 0 BDADHO C[C@H]1C[C@@H]1C[N@H+](C)CCCN(C)CCN(C)C ZINC000574845647 365159221 /nfs/dbraw/zinc/15/92/21/365159221.db2.gz HXXFXQRORCVPFG-UONOGXRCSA-N 1 3 241.423 1.458 20 0 BDADHO C[C@H]1C[C@@H]1C[N@@H+](C)CCCN(C)CCN(C)C ZINC000574845647 365159223 /nfs/dbraw/zinc/15/92/23/365159223.db2.gz HXXFXQRORCVPFG-UONOGXRCSA-N 1 3 241.423 1.458 20 0 BDADHO CC[C@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000575121933 365210773 /nfs/dbraw/zinc/21/07/73/365210773.db2.gz QXULFWZDEVLAAP-CABZTGNLSA-N 1 3 235.331 1.060 20 0 BDADHO CO[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000444603755 193051962 /nfs/dbraw/zinc/05/19/62/193051962.db2.gz WXLLFILZUUAFOL-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO CO[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000444603755 193051964 /nfs/dbraw/zinc/05/19/64/193051964.db2.gz WXLLFILZUUAFOL-ZDUSSCGKSA-N 1 3 226.364 1.583 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000575195355 365236764 /nfs/dbraw/zinc/23/67/64/365236764.db2.gz HNPMFDNHLAOCEE-SRVKXCTJSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000575924944 365416291 /nfs/dbraw/zinc/41/62/91/365416291.db2.gz ZVWXPTBVEGDUFQ-GMXVVIOVSA-N 1 3 249.358 1.319 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOC[C@H]2CCCO2)C1 ZINC000576002861 365444948 /nfs/dbraw/zinc/44/49/48/365444948.db2.gz FOYNVVVQKXQVLW-FRRDWIJNSA-N 1 3 242.363 1.042 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCOCC1 ZINC000576129118 365495878 /nfs/dbraw/zinc/49/58/78/365495878.db2.gz ZEVDBWPSLKMAIL-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCOCC1 ZINC000576129118 365495882 /nfs/dbraw/zinc/49/58/82/365495882.db2.gz ZEVDBWPSLKMAIL-GFCCVEGCSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)O)C1 ZINC000576149149 365500112 /nfs/dbraw/zinc/50/01/12/365500112.db2.gz LWUHPYNFALRDBW-GHMZBOCLSA-N 1 3 214.353 1.220 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](NCC(C)(C)O)C1 ZINC000576149149 365500113 /nfs/dbraw/zinc/50/01/13/365500113.db2.gz LWUHPYNFALRDBW-GHMZBOCLSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)C[C@@H](C)N)CCO1 ZINC000579833438 367037953 /nfs/dbraw/zinc/03/79/53/367037953.db2.gz AVOQAFKICZQEMV-YVECIDJPSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H](C)C[C@H](C)N)CCO1 ZINC000579833436 367038172 /nfs/dbraw/zinc/03/81/72/367038172.db2.gz AVOQAFKICZQEMV-UMSGYPCISA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@H](O)C[NH2+]Cc1cccc(CN(C)C)c1 ZINC000579943933 367094154 /nfs/dbraw/zinc/09/41/54/367094154.db2.gz ZDBQBWMBKBVGSR-AWEZNQCLSA-N 1 3 236.359 1.609 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]C[C@H]2C[C@H]2C)C1 ZINC000380321521 367178385 /nfs/dbraw/zinc/17/83/85/367178385.db2.gz KPTWKOUKPQMKMT-JHJVBQTASA-N 1 3 210.365 1.962 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@H]3CCCOC3)CC[N@@H+]2C1 ZINC000381178092 367359204 /nfs/dbraw/zinc/35/92/04/367359204.db2.gz VPEYVKXRBBRSTR-AVGNSLFASA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@H]3CCCOC3)CC[N@H+]2C1 ZINC000381178092 367359208 /nfs/dbraw/zinc/35/92/08/367359208.db2.gz VPEYVKXRBBRSTR-AVGNSLFASA-N 1 3 224.348 1.382 20 0 BDADHO CCN1CC[C@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000381621818 367440073 /nfs/dbraw/zinc/44/00/73/367440073.db2.gz AIGYYHWMVNLGCD-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H]([NH2+]CCCNC1CC1)C(C)C ZINC000382543295 367536113 /nfs/dbraw/zinc/53/61/13/367536113.db2.gz WTNCQPSLNHNAAT-LBPRGKRZSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H](NCCC[NH2+]C1CC1)C(C)C ZINC000382543295 367536116 /nfs/dbraw/zinc/53/61/16/367536116.db2.gz WTNCQPSLNHNAAT-LBPRGKRZSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](Cn1cccn1)NCCC[NH2+]C1CC1 ZINC000382577880 367544209 /nfs/dbraw/zinc/54/42/09/367544209.db2.gz HZWLZMUOVJPAIU-LLVKDONJSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]CCCNC1CC1 ZINC000382577880 367544216 /nfs/dbraw/zinc/54/42/16/367544216.db2.gz HZWLZMUOVJPAIU-LLVKDONJSA-N 1 3 222.336 1.003 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000384040309 367670301 /nfs/dbraw/zinc/67/03/01/367670301.db2.gz FVHFYZXOKPLYSP-UTUOFQBUSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)[C@H](C)O1 ZINC000384735289 367724146 /nfs/dbraw/zinc/72/41/46/367724146.db2.gz KMSLESSIRDNJGZ-MLGHIDQZSA-N 1 3 226.364 1.659 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384925804 367759082 /nfs/dbraw/zinc/75/90/82/367759082.db2.gz PRTFOQPPMZWRKC-JHJVBQTASA-N 1 3 228.380 1.872 20 0 BDADHO CC(C)(CO)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000385881918 367873809 /nfs/dbraw/zinc/87/38/09/367873809.db2.gz LIBFHZMJZWYCPI-MNOVXSKESA-N 1 3 214.353 1.255 20 0 BDADHO C[C@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CCN1C ZINC000566185306 326008999 /nfs/dbraw/zinc/00/89/99/326008999.db2.gz AZNLGRBAGXCKGJ-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000386080774 367909925 /nfs/dbraw/zinc/90/99/25/367909925.db2.gz GTYIYUYDIAPAEW-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO C[C@@H]1CC[C@@H](NCC[C@H]2CCOC2)C[NH2+]1 ZINC000399238933 367910722 /nfs/dbraw/zinc/91/07/22/367910722.db2.gz STVXVGRIHLCGJO-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO COCC(C)(C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386547553 367991035 /nfs/dbraw/zinc/99/10/35/367991035.db2.gz GDFMNZYNIAMNQU-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO CCN(C)CCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386575490 367994278 /nfs/dbraw/zinc/99/42/78/367994278.db2.gz NBHLPOKCNABZMG-VXGBXAGGSA-N 1 3 213.369 1.058 20 0 BDADHO C[C@H](NC[C@@H]1CCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000386430080 367970220 /nfs/dbraw/zinc/97/02/20/367970220.db2.gz LFZCXGQSDWFIDM-AVGNSLFASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@@H](O)C1)[C@@H]1CCCC[NH2+]1 ZINC000386445998 367974303 /nfs/dbraw/zinc/97/43/03/367974303.db2.gz NJMXNJXKCAJSPR-LOWDOPEQSA-N 1 3 226.364 1.268 20 0 BDADHO C[NH2+]CC1CCN(CCn2cc(C)cn2)CC1 ZINC000310259566 326188725 /nfs/dbraw/zinc/18/87/25/326188725.db2.gz BYUWCKRSJHVFGN-UHFFFAOYSA-N 1 3 236.363 1.123 20 0 BDADHO COC(=O)CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404397474 369428215 /nfs/dbraw/zinc/42/82/15/369428215.db2.gz PKUFRTQSBVFXPM-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404397474 369428218 /nfs/dbraw/zinc/42/82/18/369428218.db2.gz PKUFRTQSBVFXPM-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@H]([NH3+])CCC(=O)N1CCCC[C@H]1CN(C)C ZINC000404893832 369438084 /nfs/dbraw/zinc/43/80/84/369438084.db2.gz RVWRELNQMQWJEP-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO COCCCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889628 326276920 /nfs/dbraw/zinc/27/69/20/326276920.db2.gz DHYKJGONSFGWRK-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO COCCC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000567889628 326276922 /nfs/dbraw/zinc/27/69/22/326276922.db2.gz DHYKJGONSFGWRK-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO COCCC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000567889628 326276924 /nfs/dbraw/zinc/27/69/24/326276924.db2.gz DHYKJGONSFGWRK-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO [NH3+][C@]12CCC[C@H]1CN(CC1CCOCC1)C2 ZINC000621780570 370529080 /nfs/dbraw/zinc/52/90/80/370529080.db2.gz SQPMTSCEMBATGK-STQMWFEESA-N 1 3 224.348 1.226 20 0 BDADHO CN1CCC[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000623786535 371092292 /nfs/dbraw/zinc/09/22/92/371092292.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623786535 371092298 /nfs/dbraw/zinc/09/22/98/371092298.db2.gz WMABSQNIQCQQLA-MJBXVCDLSA-N 1 3 237.391 1.297 20 0 BDADHO CC[C@@H](COC)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624121035 371321725 /nfs/dbraw/zinc/32/17/25/371321725.db2.gz MGHJDPJMFCWMLI-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H](COC)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624121035 371321729 /nfs/dbraw/zinc/32/17/29/371321729.db2.gz MGHJDPJMFCWMLI-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1OCC[C@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822582 372599085 /nfs/dbraw/zinc/59/90/85/372599085.db2.gz IOBZWEQGVQWDTH-CSHRUCKSSA-N 1 3 238.375 1.626 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@@H](N)C[C@H]2C)cc1 ZINC000631857930 372657001 /nfs/dbraw/zinc/65/70/01/372657001.db2.gz PAESEZHCAOZBJP-YPMHNXCESA-N 1 3 234.343 1.659 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@@H](N)C[C@H]2C)cc1 ZINC000631857930 372657003 /nfs/dbraw/zinc/65/70/03/372657003.db2.gz PAESEZHCAOZBJP-YPMHNXCESA-N 1 3 234.343 1.659 20 0 BDADHO CCCCC[NH+]1CCC(NCCO)CC1 ZINC000631866322 372668429 /nfs/dbraw/zinc/66/84/29/372668429.db2.gz XXSVFAJBRFUTBV-UHFFFAOYSA-N 1 3 214.353 1.223 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631887266 372682030 /nfs/dbraw/zinc/68/20/30/372682030.db2.gz PQJOQTVNIPVNKE-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@@H]2CNCC[C@H]21 ZINC000631887266 372682038 /nfs/dbraw/zinc/68/20/38/372682038.db2.gz PQJOQTVNIPVNKE-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO c1cncc(CC[N@@H+]2CCC[C@H]3CNCC[C@@H]32)c1 ZINC000631891033 372686401 /nfs/dbraw/zinc/68/64/01/372686401.db2.gz XLUCLDJSTFASCY-GJZGRUSLSA-N 1 3 245.370 1.698 20 0 BDADHO c1cncc(CC[N@H+]2CCC[C@H]3CNCC[C@@H]32)c1 ZINC000631891033 372686405 /nfs/dbraw/zinc/68/64/05/372686405.db2.gz XLUCLDJSTFASCY-GJZGRUSLSA-N 1 3 245.370 1.698 20 0 BDADHO CC(C)(O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000167496634 206145946 /nfs/dbraw/zinc/14/59/46/206145946.db2.gz APJAMXULHRASMT-UHFFFAOYSA-N 1 3 228.380 1.610 20 0 BDADHO OC1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000127375940 183020636 /nfs/dbraw/zinc/02/06/36/183020636.db2.gz BCBZDFQFMSRBHI-FRRDWIJNSA-N 1 3 238.375 1.412 20 0 BDADHO OCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000305056737 183056676 /nfs/dbraw/zinc/05/66/76/183056676.db2.gz CRPVBTLUVHGEFF-UHFFFAOYSA-N 1 3 240.391 1.756 20 0 BDADHO OCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000305056737 183056681 /nfs/dbraw/zinc/05/66/81/183056681.db2.gz CRPVBTLUVHGEFF-UHFFFAOYSA-N 1 3 240.391 1.756 20 0 BDADHO CCCN(C)CC(=O)NCC[N@H+](CC)C(C)C ZINC000359260946 169069786 /nfs/dbraw/zinc/06/97/86/169069786.db2.gz CYBLZMLKIQKCET-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)CC(=O)NCC[N@@H+](CC)C(C)C ZINC000359260946 169069789 /nfs/dbraw/zinc/06/97/89/169069789.db2.gz CYBLZMLKIQKCET-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)CC)C1 ZINC000304707769 169078121 /nfs/dbraw/zinc/07/81/21/169078121.db2.gz LCOZQQKEEJOERJ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC)C1 ZINC000304707769 169078122 /nfs/dbraw/zinc/07/81/22/169078122.db2.gz LCOZQQKEEJOERJ-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO c1cc(NCC[NH+]2CCCCC2)ccn1 ZINC000049575308 183357608 /nfs/dbraw/zinc/35/76/08/183357608.db2.gz PMOOERRTHQHKKL-UHFFFAOYSA-N 1 3 205.305 1.979 20 0 BDADHO CCC[C@@H](C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336691984 169359136 /nfs/dbraw/zinc/35/91/36/169359136.db2.gz HJFZVSAQRLUAMC-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@@H](C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336691984 169359138 /nfs/dbraw/zinc/35/91/38/169359138.db2.gz HJFZVSAQRLUAMC-KGLIPLIRSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713462 169389083 /nfs/dbraw/zinc/38/90/83/169389083.db2.gz QEJWAGCIGAMHBG-LLVKDONJSA-N 1 3 241.379 1.282 20 0 BDADHO CO[C@@H](CN[C@H](C)CC[NH+](C)C)CC(C)C ZINC000669572612 487528431 /nfs/dbraw/zinc/52/84/31/487528431.db2.gz VZRZALCWHVKFEW-CHWSQXEVSA-N 1 3 230.396 1.977 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227192127 134375031 /nfs/dbraw/zinc/37/50/31/134375031.db2.gz CGMRGDHGNPGZHT-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227192127 134375032 /nfs/dbraw/zinc/37/50/32/134375032.db2.gz CGMRGDHGNPGZHT-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CCCCCO)CC[C@H]21 ZINC000227342750 134378092 /nfs/dbraw/zinc/37/80/92/134378092.db2.gz JZZMLWICWPFGCU-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CCCCCO)CC[C@H]21 ZINC000227342750 134378093 /nfs/dbraw/zinc/37/80/93/134378093.db2.gz JZZMLWICWPFGCU-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CO[C@H](CNC[C@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177323 383825286 /nfs/dbraw/zinc/82/52/86/383825286.db2.gz PRDQSMFVPOPECY-TZMCWYRMSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@H](CNC[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177323 383825291 /nfs/dbraw/zinc/82/52/91/383825291.db2.gz PRDQSMFVPOPECY-TZMCWYRMSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@H](C[NH2+]C[C@H]1CCN(C(C)C)C1)C1CC1 ZINC000400177323 383825297 /nfs/dbraw/zinc/82/52/97/383825297.db2.gz PRDQSMFVPOPECY-TZMCWYRMSA-N 1 3 240.391 1.731 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000301010910 383842813 /nfs/dbraw/zinc/84/28/13/383842813.db2.gz XPLAAMRJRCCAAI-QWRGUYRKSA-N 1 3 232.318 1.963 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1C[C@@H]1CCOC1 ZINC000070074076 383858569 /nfs/dbraw/zinc/85/85/69/383858569.db2.gz JPXKDXXEUODRLV-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000070074076 383858576 /nfs/dbraw/zinc/85/85/76/383858576.db2.gz JPXKDXXEUODRLV-NWDGAFQWSA-N 1 3 212.337 1.226 20 0 BDADHO C[NH+](C)CC1CCC(NCc2ncc[nH]2)CC1 ZINC000119815161 383870351 /nfs/dbraw/zinc/87/03/51/383870351.db2.gz JNIALVVOMYFGRI-UHFFFAOYSA-N 1 3 236.363 1.620 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H]1CCC(F)(F)C1 ZINC000301004578 383829595 /nfs/dbraw/zinc/82/95/95/383829595.db2.gz WLXWNGDPFYOGNM-SNVBAGLBSA-N 1 3 220.307 1.963 20 0 BDADHO CNCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000301004578 383829605 /nfs/dbraw/zinc/82/96/05/383829605.db2.gz WLXWNGDPFYOGNM-SNVBAGLBSA-N 1 3 220.307 1.963 20 0 BDADHO CNCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000301004578 383829608 /nfs/dbraw/zinc/82/96/08/383829608.db2.gz WLXWNGDPFYOGNM-SNVBAGLBSA-N 1 3 220.307 1.963 20 0 BDADHO CN(Cc1ccccn1)CC1CC[NH2+]CC1 ZINC000036777705 383910465 /nfs/dbraw/zinc/91/04/65/383910465.db2.gz IKMWRWMKKMFNSJ-UHFFFAOYSA-N 1 3 219.332 1.513 20 0 BDADHO Cc1n[nH]cc1CN1CCCC12CC[NH+](C)CC2 ZINC000336457618 383946588 /nfs/dbraw/zinc/94/65/88/383946588.db2.gz LSRYXLQZNSHLSJ-UHFFFAOYSA-N 1 3 248.374 1.778 20 0 BDADHO Cc1n[nH]cc1C[N@H+]1CCCC12CCN(C)CC2 ZINC000336457618 383946593 /nfs/dbraw/zinc/94/65/93/383946593.db2.gz LSRYXLQZNSHLSJ-UHFFFAOYSA-N 1 3 248.374 1.778 20 0 BDADHO Cc1n[nH]cc1C[N@@H+]1CCCC12CCN(C)CC2 ZINC000336457618 383946599 /nfs/dbraw/zinc/94/65/99/383946599.db2.gz LSRYXLQZNSHLSJ-UHFFFAOYSA-N 1 3 248.374 1.778 20 0 BDADHO CC[C@H](O)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000253026090 384141819 /nfs/dbraw/zinc/14/18/19/384141819.db2.gz NIPJNDAIYSSCEH-XDTLVQLUSA-N 1 3 220.316 1.492 20 0 BDADHO C[C@@H]1C[C@H](CN(C)Cc2ccccn2)CC[NH2+]1 ZINC000235366031 384171685 /nfs/dbraw/zinc/17/16/85/384171685.db2.gz CVVUTSXZVYSSHJ-CHWSQXEVSA-N 1 3 233.359 1.902 20 0 BDADHO Cc1csc(CNC[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000235393795 384188050 /nfs/dbraw/zinc/18/80/50/384188050.db2.gz HIWQTFBVBBFWAG-KOLCDFICSA-N 1 3 239.388 1.929 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(C[C@H]2CC[C@@H](C)O2)C1 ZINC000168507252 384238990 /nfs/dbraw/zinc/23/89/90/384238990.db2.gz JYTSSSUCOZXTHI-WISYIIOYSA-N 1 3 212.337 1.223 20 0 BDADHO NC[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581721 384243431 /nfs/dbraw/zinc/24/34/31/384243431.db2.gz XLMCKLCVFNAMPS-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000082581721 384243436 /nfs/dbraw/zinc/24/34/36/384243436.db2.gz XLMCKLCVFNAMPS-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCCOC2)C1 ZINC000082581721 384243441 /nfs/dbraw/zinc/24/34/41/384243441.db2.gz XLMCKLCVFNAMPS-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO C([C@@H]1CCCNC1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000133344276 384246111 /nfs/dbraw/zinc/24/61/11/384246111.db2.gz WITPJCBORFEEBZ-AGIUHOORSA-N 1 3 208.349 1.718 20 0 BDADHO COC1(CN(C)C2CC([NH3+])C2)CCCC1 ZINC000319386538 384247640 /nfs/dbraw/zinc/24/76/40/384247640.db2.gz DABQQQGWAPRCKU-UHFFFAOYSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2)CO1 ZINC000401909513 384248557 /nfs/dbraw/zinc/24/85/57/384248557.db2.gz VWQFWHIFIKIBBB-NWDGAFQWSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@H]1C[C@@H](NCCC[NH+]2CCCC2)CO1 ZINC000401909513 384248563 /nfs/dbraw/zinc/24/85/63/384248563.db2.gz VWQFWHIFIKIBBB-NWDGAFQWSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCCO2)C[C@@H]1CN ZINC000397476084 384253636 /nfs/dbraw/zinc/25/36/36/384253636.db2.gz GWVQDZBLSHILBK-ZOBORPQBSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCCO2)C[C@@H]1CN ZINC000397476084 384253640 /nfs/dbraw/zinc/25/36/40/384253640.db2.gz GWVQDZBLSHILBK-ZOBORPQBSA-N 1 3 240.391 1.861 20 0 BDADHO Cc1csc(CNCCCC[NH+](C)C)n1 ZINC000082725434 384260483 /nfs/dbraw/zinc/26/04/83/384260483.db2.gz PSHPGYMISNAGMI-UHFFFAOYSA-N 1 3 227.377 1.883 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000558726696 384264595 /nfs/dbraw/zinc/26/45/95/384264595.db2.gz GAPUTSJMFHFVNH-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000558726696 384264601 /nfs/dbraw/zinc/26/46/01/384264601.db2.gz GAPUTSJMFHFVNH-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000228537038 384273951 /nfs/dbraw/zinc/27/39/51/384273951.db2.gz MCOXTWXUTWSZGZ-MGPQQGTHSA-N 1 3 231.343 1.641 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)c1cccc(CN(C)C)c1 ZINC000237635213 384322891 /nfs/dbraw/zinc/32/28/91/384322891.db2.gz VQCXMESXPONEHP-LLVKDONJSA-N 1 3 249.358 1.167 20 0 BDADHO C(C1CC1)N1C[C@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361303308 384366973 /nfs/dbraw/zinc/36/69/73/384366973.db2.gz HSSLLSURFGAWNQ-MJBXVCDLSA-N 1 3 220.360 1.813 20 0 BDADHO C(C1CC1)N1C[C@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361303308 384366978 /nfs/dbraw/zinc/36/69/78/384366978.db2.gz HSSLLSURFGAWNQ-MJBXVCDLSA-N 1 3 220.360 1.813 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CCCF)C[C@@H]1CN ZINC000397327645 384326465 /nfs/dbraw/zinc/32/64/65/384326465.db2.gz VUABRRKBVBQKRR-VWYCJHECSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CCCF)C[C@@H]1CN ZINC000397327645 384326472 /nfs/dbraw/zinc/32/64/72/384326472.db2.gz VUABRRKBVBQKRR-VWYCJHECSA-N 1 3 202.317 1.651 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCCF)C[C@@H]1C[NH3+] ZINC000397327645 384326473 /nfs/dbraw/zinc/32/64/73/384326473.db2.gz VUABRRKBVBQKRR-VWYCJHECSA-N 1 3 202.317 1.651 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000566416516 384413190 /nfs/dbraw/zinc/41/31/90/384413190.db2.gz MOIAQALPSUWGED-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000566416516 384413194 /nfs/dbraw/zinc/41/31/94/384413194.db2.gz MOIAQALPSUWGED-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCc1cccs1 ZINC000084218133 384377669 /nfs/dbraw/zinc/37/76/69/384377669.db2.gz VCYVXUYKJXNTMY-MWLCHTKSSA-N 1 3 210.346 1.965 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607344 384379901 /nfs/dbraw/zinc/37/99/01/384379901.db2.gz RBUFMAWUCXXHPJ-JQWIXIFHSA-N 1 3 210.321 1.015 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335607343 384382067 /nfs/dbraw/zinc/38/20/67/384382067.db2.gz RBUFMAWUCXXHPJ-CMPLNLGQSA-N 1 3 210.321 1.015 20 0 BDADHO CC(C)(C)CN(CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000647515738 384457538 /nfs/dbraw/zinc/45/75/38/384457538.db2.gz GUFUAUFVDFCDFO-ZDUSSCGKSA-N 1 3 228.380 1.326 20 0 BDADHO C(CC[N@@H+]1CCCNCC1)CC1CCOCC1 ZINC000305898199 384429803 /nfs/dbraw/zinc/42/98/03/384429803.db2.gz UDFZKNJWLLUKGW-UHFFFAOYSA-N 1 3 240.391 1.879 20 0 BDADHO C(CC[N@H+]1CCCNCC1)CC1CCOCC1 ZINC000305898199 384429816 /nfs/dbraw/zinc/42/98/16/384429816.db2.gz UDFZKNJWLLUKGW-UHFFFAOYSA-N 1 3 240.391 1.879 20 0 BDADHO C[C@]1(CN2CCC[C@H](CCO)C2)CC[NH2+]C1 ZINC000647515911 384459939 /nfs/dbraw/zinc/45/99/39/384459939.db2.gz ZTZLPFHYKMVAOP-OLZOCXBDSA-N 1 3 226.364 1.080 20 0 BDADHO CC(C)[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150959467 384527686 /nfs/dbraw/zinc/52/76/86/384527686.db2.gz SNAPLJRSCBJPJL-CYBMUJFWSA-N 1 3 241.423 1.647 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000236712181 384554434 /nfs/dbraw/zinc/55/44/34/384554434.db2.gz CBIRZKWGFMQNKL-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000236712181 384554444 /nfs/dbraw/zinc/55/44/44/384554444.db2.gz CBIRZKWGFMQNKL-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCn2cnnc2C2CC2)C1 ZINC000568249464 384621427 /nfs/dbraw/zinc/62/14/27/384621427.db2.gz QYKLETMECXIOCC-RYUDHWBXSA-N 1 3 249.362 1.015 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)NC ZINC000054071612 384726247 /nfs/dbraw/zinc/72/62/47/384726247.db2.gz RMNCPBVKYNJEOX-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO Cn1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000647545754 384727418 /nfs/dbraw/zinc/72/74/18/384727418.db2.gz MHNPNSOBVQQDTK-STQMWFEESA-N 1 3 248.374 1.242 20 0 BDADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@@H](N)c2ccccc2)C1 ZINC000647546570 384733564 /nfs/dbraw/zinc/73/35/64/384733564.db2.gz PWPMNEZCKJYVLB-FPMFFAJLSA-N 1 3 233.359 1.274 20 0 BDADHO CCC(CC)(CCO)CN[C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647550201 384747521 /nfs/dbraw/zinc/74/75/21/384747521.db2.gz FMCYYLXIQNKVGC-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO [NH3+]C[C@@H]1CCN(CCCOCc2ccccc2)C1 ZINC000309973283 384755286 /nfs/dbraw/zinc/75/52/86/384755286.db2.gz OZOZBQDMHFRDRQ-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO NC[C@@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000309973283 384755292 /nfs/dbraw/zinc/75/52/92/384755292.db2.gz OZOZBQDMHFRDRQ-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO NC[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309973283 384755300 /nfs/dbraw/zinc/75/53/00/384755300.db2.gz OZOZBQDMHFRDRQ-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)OC ZINC000308577082 384827030 /nfs/dbraw/zinc/82/70/30/384827030.db2.gz NFLYLGPVQCONKN-GMTAPVOTSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cnccc1N ZINC000423358594 384832142 /nfs/dbraw/zinc/83/21/42/384832142.db2.gz BWUNWJBSYKKCDH-GARJFASQSA-N 1 3 234.347 1.415 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398184702 384833421 /nfs/dbraw/zinc/83/34/21/384833421.db2.gz ILEDWMWURYAKEZ-VNHYZAJKSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@H](C[NH3+])N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398184702 384833429 /nfs/dbraw/zinc/83/34/29/384833429.db2.gz ILEDWMWURYAKEZ-VNHYZAJKSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403530095 384809775 /nfs/dbraw/zinc/80/97/75/384809775.db2.gz NVSKWQQWJTYPIJ-LBELIVKGSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@@]1(O)C[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000557149707 384847586 /nfs/dbraw/zinc/84/75/86/384847586.db2.gz FREQGFZVPJVRCI-OKILXGFUSA-N 1 3 238.375 1.364 20 0 BDADHO CSCCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061938 384857487 /nfs/dbraw/zinc/85/74/87/384857487.db2.gz VBHXDZSOMXARSU-MNOVXSKESA-N 1 3 216.394 1.764 20 0 BDADHO CSCCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061938 384857493 /nfs/dbraw/zinc/85/74/93/384857493.db2.gz VBHXDZSOMXARSU-MNOVXSKESA-N 1 3 216.394 1.764 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(C3CC3)C2)C1 ZINC000086403761 384867976 /nfs/dbraw/zinc/86/79/76/384867976.db2.gz POWJVUFHJJXYND-GRYCIOLGSA-N 1 3 223.364 1.083 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000220682546 384890710 /nfs/dbraw/zinc/89/07/10/384890710.db2.gz JARMPRHJBYAWJR-MWLCHTKSSA-N 1 3 214.378 1.742 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(O)CCC1 ZINC000127394916 384893693 /nfs/dbraw/zinc/89/36/93/384893693.db2.gz CBWFVSGOMJLLHQ-CHWSQXEVSA-N 1 3 240.391 1.802 20 0 BDADHO C[C@@H]1C[C@H](NCC2(C[NH+](C)C)CCCC2)CO1 ZINC000647202331 384902386 /nfs/dbraw/zinc/90/23/86/384902386.db2.gz UTJPLJWCMZFPRH-OLZOCXBDSA-N 1 3 240.391 1.875 20 0 BDADHO c1ccc(COCCC[N@@H+]2CCCNCC2)cc1 ZINC000309948848 384940278 /nfs/dbraw/zinc/94/02/78/384940278.db2.gz FCXZBRCIBRYEFF-UHFFFAOYSA-N 1 3 248.370 1.889 20 0 BDADHO c1ccc(COCCC[N@H+]2CCCNCC2)cc1 ZINC000309948848 384940282 /nfs/dbraw/zinc/94/02/82/384940282.db2.gz FCXZBRCIBRYEFF-UHFFFAOYSA-N 1 3 248.370 1.889 20 0 BDADHO Cc1ccc(C)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107573138 384978554 /nfs/dbraw/zinc/97/85/54/384978554.db2.gz MYFXHJSYJWJEJK-GASCZTMLSA-N 1 3 230.355 1.955 20 0 BDADHO CC(C)[C@@H]1CC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000423494610 385002393 /nfs/dbraw/zinc/00/23/93/385002393.db2.gz SIOZZULIONNINA-FRRDWIJNSA-N 1 3 226.364 1.389 20 0 BDADHO CCSCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000300859096 385003088 /nfs/dbraw/zinc/00/30/88/385003088.db2.gz CFKRPGOMTFYIQR-MNOVXSKESA-N 1 3 216.394 1.847 20 0 BDADHO Cc1cc(CNCCOCC[NH+](C)C)sn1 ZINC000404445661 385005373 /nfs/dbraw/zinc/00/53/73/385005373.db2.gz JRBSADLRHOBADF-UHFFFAOYSA-N 1 3 243.376 1.119 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C2(N)CC2)cc1 ZINC000335682579 385036332 /nfs/dbraw/zinc/03/63/32/385036332.db2.gz CESJOVWJOAGFCC-MRVPVSSYSA-N 1 3 219.288 1.136 20 0 BDADHO COc1ccc(CCN2CC[C@](C)(C[NH3+])C2)cc1 ZINC000234952072 385038679 /nfs/dbraw/zinc/03/86/79/385038679.db2.gz YMJMMKNKJJOSLC-OAHLLOKOSA-N 1 3 248.370 1.908 20 0 BDADHO COc1ccc(CC[N@@H+]2CC[C@](C)(CN)C2)cc1 ZINC000234952072 385038686 /nfs/dbraw/zinc/03/86/86/385038686.db2.gz YMJMMKNKJJOSLC-OAHLLOKOSA-N 1 3 248.370 1.908 20 0 BDADHO COc1ccc(CC[N@H+]2CC[C@](C)(CN)C2)cc1 ZINC000234952072 385038690 /nfs/dbraw/zinc/03/86/90/385038690.db2.gz YMJMMKNKJJOSLC-OAHLLOKOSA-N 1 3 248.370 1.908 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCN2CCCC[C@@H]2C1 ZINC000227374905 385123839 /nfs/dbraw/zinc/12/38/39/385123839.db2.gz AGZNLTBKAXDPRZ-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO [NH3+]CCCCC(=O)NCc1ccc2c(c1)CNC2 ZINC000646991034 385125932 /nfs/dbraw/zinc/12/59/32/385125932.db2.gz LIJZXJJBCSXJGJ-UHFFFAOYSA-N 1 3 247.342 1.035 20 0 BDADHO Cc1ccc(O)c(CN2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227451884 385140571 /nfs/dbraw/zinc/14/05/71/385140571.db2.gz YOQVYSIBRKWZDV-RYUDHWBXSA-N 1 3 249.358 1.655 20 0 BDADHO OC1(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810205 385168063 /nfs/dbraw/zinc/16/80/63/385168063.db2.gz PGYOZXJGQZOJOC-CHWSQXEVSA-N 1 3 238.375 1.508 20 0 BDADHO OC1(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000342810205 385168070 /nfs/dbraw/zinc/16/80/70/385168070.db2.gz PGYOZXJGQZOJOC-CHWSQXEVSA-N 1 3 238.375 1.508 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccccc1 ZINC000252714057 385221305 /nfs/dbraw/zinc/22/13/05/385221305.db2.gz QXFSWXYKJWRIFG-DZGCQCFKSA-N 1 3 248.370 1.995 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccccc1 ZINC000252714057 385221307 /nfs/dbraw/zinc/22/13/07/385221307.db2.gz QXFSWXYKJWRIFG-DZGCQCFKSA-N 1 3 248.370 1.995 20 0 BDADHO NC[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052173124 385224991 /nfs/dbraw/zinc/22/49/91/385224991.db2.gz RLCCUHPOBSJENK-GFCCVEGCSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000052173124 385224996 /nfs/dbraw/zinc/22/49/96/385224996.db2.gz RLCCUHPOBSJENK-GFCCVEGCSA-N 1 3 212.337 1.084 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000308962106 385314872 /nfs/dbraw/zinc/31/48/72/385314872.db2.gz ZZQAFPWNJXECMF-GRYCIOLGSA-N 1 3 214.353 1.519 20 0 BDADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547820 385336556 /nfs/dbraw/zinc/33/65/56/385336556.db2.gz JOZOLLDQHBAEDZ-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547820 385336560 /nfs/dbraw/zinc/33/65/60/385336560.db2.gz JOZOLLDQHBAEDZ-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@@H]2CCCN2C)[C@H](C)C1 ZINC000154547820 385336563 /nfs/dbraw/zinc/33/65/63/385336563.db2.gz JOZOLLDQHBAEDZ-HZSPNIEDSA-N 1 3 239.407 1.401 20 0 BDADHO CSC1(C[NH2+]CC2=CCN(C)CC2)CC1 ZINC000309082180 385401077 /nfs/dbraw/zinc/40/10/77/385401077.db2.gz RHJXHAZOALTOTH-UHFFFAOYSA-N 1 3 226.389 1.734 20 0 BDADHO C[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000334430281 385420814 /nfs/dbraw/zinc/42/08/14/385420814.db2.gz VADFYAQFQWJMOF-STQMWFEESA-N 1 3 240.391 1.611 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@@H](C)OC)CC1 ZINC000182212395 385433141 /nfs/dbraw/zinc/43/31/41/385433141.db2.gz JRSNAEKYGNZJAQ-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000309208355 385482208 /nfs/dbraw/zinc/48/22/08/385482208.db2.gz BKPLUFQNOFNRMJ-DGCLKSJQSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000309208355 385482209 /nfs/dbraw/zinc/48/22/09/385482209.db2.gz BKPLUFQNOFNRMJ-DGCLKSJQSA-N 1 3 226.364 1.173 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1NCC1(C)C ZINC000644097040 385460559 /nfs/dbraw/zinc/46/05/59/385460559.db2.gz ZETFVIOHGNMYAH-LBPRGKRZSA-N 1 3 247.342 1.343 20 0 BDADHO CCCN(C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309405880 385572575 /nfs/dbraw/zinc/57/25/75/385572575.db2.gz JPQJUABNSPOYGW-ZDUSSCGKSA-N 1 3 226.364 1.316 20 0 BDADHO CCCN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309405880 385572577 /nfs/dbraw/zinc/57/25/77/385572577.db2.gz JPQJUABNSPOYGW-ZDUSSCGKSA-N 1 3 226.364 1.316 20 0 BDADHO CC(C)[C@H](CCO)[NH2+]CC[C@@H]1CCCN1C ZINC000336677713 385611302 /nfs/dbraw/zinc/61/13/02/385611302.db2.gz QGYAWMPBCJDWMX-STQMWFEESA-N 1 3 228.380 1.467 20 0 BDADHO CC1(C)CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000309517035 385649181 /nfs/dbraw/zinc/64/91/81/385649181.db2.gz YYRHCJVNMARZHG-LBPRGKRZSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)c1ccc([C@@H](N)CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414851329 385653192 /nfs/dbraw/zinc/65/31/92/385653192.db2.gz UBEGVIBWKDFRQI-CABCVRRESA-N 1 3 247.386 1.761 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000336684387 385671537 /nfs/dbraw/zinc/67/15/37/385671537.db2.gz JYCNMLCZLYNURH-GHMZBOCLSA-N 1 3 202.317 1.843 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000128524711 385732111 /nfs/dbraw/zinc/73/21/11/385732111.db2.gz DOMINLNBDMUOLY-OCCSQVGLSA-N 1 3 239.407 1.543 20 0 BDADHO Fc1cccnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794156 385733835 /nfs/dbraw/zinc/73/38/35/385733835.db2.gz SEDCIVXFVBRMFH-QJPTWQEYSA-N 1 3 249.333 1.698 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1ccn(C(C)C)n1 ZINC000414862109 385750869 /nfs/dbraw/zinc/75/08/69/385750869.db2.gz URONPVACUARYSW-GFCCVEGCSA-N 1 3 238.379 1.594 20 0 BDADHO COc1cc(C[NH2+][C@@H](C)CN)ccc1SC ZINC000414945303 385798932 /nfs/dbraw/zinc/79/89/32/385798932.db2.gz PYMZICJHKCNKBH-VIFPVBQESA-N 1 3 240.372 1.854 20 0 BDADHO C[C@@H](C[NH2+][C@H](C)C[C@H](C)N)CC(F)F ZINC000647801586 385811371 /nfs/dbraw/zinc/81/13/71/385811371.db2.gz YRNQFLREZYXPHN-HRDYMLBCSA-N 1 3 208.296 1.993 20 0 BDADHO Cc1noc(C)c1CNCCC[C@H]1CCC[NH2+]1 ZINC000337928632 385827362 /nfs/dbraw/zinc/82/73/62/385827362.db2.gz RDPZURAOXHKEBH-LBPRGKRZSA-N 1 3 237.347 1.913 20 0 BDADHO COC[C@]1(CN[C@@H](C)C2CCC2)CCC[NH2+]1 ZINC000414962411 385891838 /nfs/dbraw/zinc/89/18/38/385891838.db2.gz WBCDHRZYYSKBCY-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)([NH3+])CNC[C@H]1NCCc2ccccc21 ZINC000414963348 385896039 /nfs/dbraw/zinc/89/60/39/385896039.db2.gz XHOKMKUGTHGGAR-CYBMUJFWSA-N 1 3 233.359 1.200 20 0 BDADHO CN(CC[NH2+]CC1(N)CCC1)c1ccccc1 ZINC000342114230 385929272 /nfs/dbraw/zinc/92/92/72/385929272.db2.gz BXNFVXSDTBRCPQ-UHFFFAOYSA-N 1 3 233.359 1.594 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H]1CCCCO1 ZINC000308880158 385903245 /nfs/dbraw/zinc/90/32/45/385903245.db2.gz VLCJCVCNJPKBNV-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CC[NH3+])NCc1ccc(-n2cccn2)cc1 ZINC000414876664 385913381 /nfs/dbraw/zinc/91/33/81/385913381.db2.gz DTCLYQILRGFBRK-GFCCVEGCSA-N 1 3 244.342 1.699 20 0 BDADHO CN1CCC(O)(C[NH2+]CCC(C)(C)C)CC1 ZINC000336767605 385924823 /nfs/dbraw/zinc/92/48/23/385924823.db2.gz PUDUYEQFALHKQQ-UHFFFAOYSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H](C(=O)NCCC[N@H+](C)C(C)C)N(C)C ZINC000338209148 385925653 /nfs/dbraw/zinc/92/56/53/385925653.db2.gz ZYFABLHBOXAQHC-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)N(C)C ZINC000338209148 385925657 /nfs/dbraw/zinc/92/56/57/385925657.db2.gz ZYFABLHBOXAQHC-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO C[N@H+](C[C@@H](O)CN1CCC(C)(C)CC1)C1CC1 ZINC000336719674 385860971 /nfs/dbraw/zinc/86/09/71/385860971.db2.gz RPLPCNCEAJRLDK-CYBMUJFWSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@@H+](C[C@@H](O)CN1CCC(C)(C)CC1)C1CC1 ZINC000336719674 385860975 /nfs/dbraw/zinc/86/09/75/385860975.db2.gz RPLPCNCEAJRLDK-CYBMUJFWSA-N 1 3 240.391 1.564 20 0 BDADHO C(C[N@H+](C1CC1)C1CCNCC1)[C@@H]1CCCO1 ZINC000647815321 385869264 /nfs/dbraw/zinc/86/92/64/385869264.db2.gz ZIOLNLNRHNKAPC-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO C(C[N@@H+](C1CC1)C1CCNCC1)[C@@H]1CCCO1 ZINC000647815321 385869267 /nfs/dbraw/zinc/86/92/67/385869267.db2.gz ZIOLNLNRHNKAPC-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO C(CN(C1CC1)C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000647815321 385869268 /nfs/dbraw/zinc/86/92/68/385869268.db2.gz ZIOLNLNRHNKAPC-AWEZNQCLSA-N 1 3 238.375 1.772 20 0 BDADHO COC[C@@]1(C[NH2+]C2CC(C)C2)CCCN1 ZINC000414959267 385874454 /nfs/dbraw/zinc/87/44/54/385874454.db2.gz SFMGQWWDIXDBCQ-MCIGGMRASA-N 1 3 212.337 1.143 20 0 BDADHO Cc1ccc(CCCNCC2([NH3+])CCC2)cn1 ZINC000414873390 385874919 /nfs/dbraw/zinc/87/49/19/385874919.db2.gz HEJXNGMZSAIUJO-UHFFFAOYSA-N 1 3 233.359 1.794 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000338352362 385978323 /nfs/dbraw/zinc/97/83/23/385978323.db2.gz UPBDLCVXRFOMKR-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1CCC[C@@]1(C)CO ZINC000338352362 385978329 /nfs/dbraw/zinc/97/83/29/385978329.db2.gz UPBDLCVXRFOMKR-KBPBESRZSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@H]1CCNC[C@@H]1[NH2+]C1CCN(C2CC2)CC1 ZINC000335022369 385982599 /nfs/dbraw/zinc/98/25/99/385982599.db2.gz DHQVVKHQHURMHJ-FZMZJTMJSA-N 1 3 237.391 1.201 20 0 BDADHO CC(C)[C@H]([NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000295202331 385991042 /nfs/dbraw/zinc/99/10/42/385991042.db2.gz PFQDQGSXCWZQES-CHWSQXEVSA-N 1 3 249.358 1.176 20 0 BDADHO Cc1cc(CNCCC[C@@H]2CCC[NH2+]2)nn1C ZINC000414971884 385991306 /nfs/dbraw/zinc/99/13/06/385991306.db2.gz WZLGDIUZXBDSIW-GFCCVEGCSA-N 1 3 236.363 1.350 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](OC)C2CC2)C1 ZINC000425417306 385992383 /nfs/dbraw/zinc/99/23/83/385992383.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](OC)C2CC2)C1 ZINC000425417306 385992391 /nfs/dbraw/zinc/99/23/91/385992391.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000425417306 385992399 /nfs/dbraw/zinc/99/23/99/385992399.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000425417306 385992407 /nfs/dbraw/zinc/99/24/07/385992407.db2.gz HKGOQSWKQQNBCI-JSGCOSHPSA-N 1 3 240.391 1.685 20 0 BDADHO COc1ccncc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000311017040 385939021 /nfs/dbraw/zinc/93/90/21/385939021.db2.gz NFQDJGYETHHIGC-LBPRGKRZSA-N 1 3 249.358 1.651 20 0 BDADHO CC[C@H]1C[N@H+](CCCN(CC)CC)C[C@H]1O ZINC000338281812 385945735 /nfs/dbraw/zinc/94/57/35/385945735.db2.gz UUERCYVASRXGTR-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H]1C[N@@H+](CCCN(CC)CC)C[C@H]1O ZINC000338281812 385945740 /nfs/dbraw/zinc/94/57/40/385945740.db2.gz UUERCYVASRXGTR-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[NH2+][C@H](C)CNCC[C@@H]1CCOC1 ZINC000414967502 385948051 /nfs/dbraw/zinc/94/80/51/385948051.db2.gz XKKYVTLCQAKNHQ-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000338304869 385953620 /nfs/dbraw/zinc/95/36/20/385953620.db2.gz PWNPPOMHRFFMGI-BFHYXJOUSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000338304869 385953623 /nfs/dbraw/zinc/95/36/23/385953623.db2.gz PWNPPOMHRFFMGI-BFHYXJOUSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@](O)(CC)C1 ZINC000338326537 385959124 /nfs/dbraw/zinc/95/91/24/385959124.db2.gz ZWYKXIJERRAEEA-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@](O)(CC)C1 ZINC000338326537 385959131 /nfs/dbraw/zinc/95/91/31/385959131.db2.gz ZWYKXIJERRAEEA-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO COC1(C[NH2+]C[C@H]2CCCNC2)CCCC1 ZINC000309487795 386013114 /nfs/dbraw/zinc/01/31/14/386013114.db2.gz HFCDPPYBLPNEHH-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO COC1(CNC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000309487795 386013119 /nfs/dbraw/zinc/01/31/19/386013119.db2.gz HFCDPPYBLPNEHH-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169568 386016311 /nfs/dbraw/zinc/01/63/11/386016311.db2.gz BHCZEOUWFFXTTN-RYUDHWBXSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169568 386016315 /nfs/dbraw/zinc/01/63/15/386016315.db2.gz BHCZEOUWFFXTTN-RYUDHWBXSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@H](CC[NH+](C)C)NCC1=CCCOC1 ZINC000336771983 386056729 /nfs/dbraw/zinc/05/67/29/386056729.db2.gz XUNXCCLBZQYSLI-LLVKDONJSA-N 1 3 212.337 1.263 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000414977786 386038127 /nfs/dbraw/zinc/03/81/27/386038127.db2.gz KXTUXAUWKUKBET-CYBMUJFWSA-N 1 3 244.342 1.699 20 0 BDADHO CC[C@H]([NH3+])CNC1CCN(c2ccccc2)CC1 ZINC000414980160 386052885 /nfs/dbraw/zinc/05/28/85/386052885.db2.gz PFJCIBIUFSZROT-ZDUSSCGKSA-N 1 3 247.386 1.982 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCNC1 ZINC000414888476 386099978 /nfs/dbraw/zinc/09/99/78/386099978.db2.gz RYSISNKGZQHSDP-CMPLNLGQSA-N 1 3 212.337 1.143 20 0 BDADHO COC(=O)[C@@H]1CCCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673858 386145954 /nfs/dbraw/zinc/14/59/54/386145954.db2.gz CZLBAFWGFWMELO-SRVKXCTJSA-N 1 3 240.347 1.012 20 0 BDADHO COc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000414893137 386157507 /nfs/dbraw/zinc/15/75/07/386157507.db2.gz XUOZLXVCMGNDQP-UHFFFAOYSA-N 1 3 220.316 1.666 20 0 BDADHO [NH3+][C@H](CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2)C1CC1 ZINC000414890728 386130624 /nfs/dbraw/zinc/13/06/24/386130624.db2.gz MZTXKRQNDJWUAF-FDYHWXHSSA-N 1 3 236.359 1.271 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000414697636 386201844 /nfs/dbraw/zinc/20/18/44/386201844.db2.gz CJTKEZWTOYSOME-HZSPNIEDSA-N 1 3 242.407 1.843 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000414697636 386201848 /nfs/dbraw/zinc/20/18/48/386201848.db2.gz CJTKEZWTOYSOME-HZSPNIEDSA-N 1 3 242.407 1.843 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)c2ccccc21 ZINC000132109668 386219913 /nfs/dbraw/zinc/21/99/13/386219913.db2.gz KUXJKMIIFIGTHT-LERXQTSPSA-N 1 3 232.327 1.900 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@@H+]1CC[C@@H](CN)C1 ZINC000347038902 386225523 /nfs/dbraw/zinc/22/55/23/386225523.db2.gz IYWPGSUJJUDAEK-OCCSQVGLSA-N 1 3 240.391 1.720 20 0 BDADHO C[C@H](CC1CCOCC1)C[N@H+]1CC[C@@H](CN)C1 ZINC000347038902 386225529 /nfs/dbraw/zinc/22/55/29/386225529.db2.gz IYWPGSUJJUDAEK-OCCSQVGLSA-N 1 3 240.391 1.720 20 0 BDADHO [NH3+]CCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000414713011 386229972 /nfs/dbraw/zinc/22/99/72/386229972.db2.gz VCTCVEXDXCKAIY-AWEZNQCLSA-N 1 3 233.359 1.912 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)C[C@@H]1C(C)C ZINC000414712234 386230169 /nfs/dbraw/zinc/23/01/69/386230169.db2.gz NLWURXDSBDBKEV-ZIAGYGMSSA-N 1 3 241.423 1.632 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](CN)C2)CCO1 ZINC000347114101 386231258 /nfs/dbraw/zinc/23/12/58/386231258.db2.gz SDCDJROLUDYZCO-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](CN)C2)CCO1 ZINC000347114101 386231261 /nfs/dbraw/zinc/23/12/61/386231261.db2.gz SDCDJROLUDYZCO-JHJVBQTASA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](CN)C2)CCO1 ZINC000347114103 386231275 /nfs/dbraw/zinc/23/12/75/386231275.db2.gz SDCDJROLUDYZCO-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](CN)C2)CCO1 ZINC000347114103 386231278 /nfs/dbraw/zinc/23/12/78/386231278.db2.gz SDCDJROLUDYZCO-YNEHKIRRSA-N 1 3 226.364 1.472 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H](C)O)C1 ZINC000336645524 386252837 /nfs/dbraw/zinc/25/28/37/386252837.db2.gz IBWQEJSMLWCNPN-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H](C)O)C1 ZINC000336645524 386252838 /nfs/dbraw/zinc/25/28/38/386252838.db2.gz IBWQEJSMLWCNPN-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CN(C)c1ccccc1CN1CC[C@@H](C[NH3+])C1 ZINC000347147847 386261316 /nfs/dbraw/zinc/26/13/16/386261316.db2.gz YSCJKSTVAPSGMT-LBPRGKRZSA-N 1 3 233.359 1.533 20 0 BDADHO COc1ccccc1C[C@H](C)NC[C@H]([NH3+])C1CC1 ZINC000414895757 386193667 /nfs/dbraw/zinc/19/36/67/386193667.db2.gz ZIHUCSRHJOKJFJ-FZMZJTMJSA-N 1 3 248.370 1.953 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](N)CC(C)C ZINC000414694877 386194195 /nfs/dbraw/zinc/19/41/95/386194195.db2.gz GIPCKADZWOFQNN-RYUDHWBXSA-N 1 3 242.363 1.387 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](N)CC(C)C ZINC000414694877 386194199 /nfs/dbraw/zinc/19/41/99/386194199.db2.gz GIPCKADZWOFQNN-RYUDHWBXSA-N 1 3 242.363 1.387 20 0 BDADHO CC(C)[C@@H](O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336668204 386297776 /nfs/dbraw/zinc/29/77/76/386297776.db2.gz RUVZQHYQSRDKED-OLZOCXBDSA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336668204 386297778 /nfs/dbraw/zinc/29/77/78/386297778.db2.gz RUVZQHYQSRDKED-OLZOCXBDSA-N 1 3 228.380 1.277 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000414734435 386300424 /nfs/dbraw/zinc/30/04/24/386300424.db2.gz DWGLUNKDVXNYLK-IHRRRGAJSA-N 1 3 240.391 1.718 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000336197907 386315824 /nfs/dbraw/zinc/31/58/24/386315824.db2.gz RFNXHASTPNTHEE-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CC[C@]2(CCOC2)C1 ZINC000336197907 386315830 /nfs/dbraw/zinc/31/58/30/386315830.db2.gz RFNXHASTPNTHEE-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000091996155 386319594 /nfs/dbraw/zinc/31/95/94/386319594.db2.gz UOXRDKKKQCSWLW-GFCCVEGCSA-N 1 3 249.358 1.656 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000091996155 386319599 /nfs/dbraw/zinc/31/95/99/386319599.db2.gz UOXRDKKKQCSWLW-GFCCVEGCSA-N 1 3 249.358 1.656 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](CCO)C1CCC1 ZINC000414741658 386325320 /nfs/dbraw/zinc/32/53/20/386325320.db2.gz FKRBPAXSAOKSDX-NSHDSACASA-N 1 3 214.353 1.207 20 0 BDADHO CC(C)C[C@H]([NH3+])CN[C@@H](CO)C(C)(C)C ZINC000414740869 386321449 /nfs/dbraw/zinc/32/14/49/386321449.db2.gz LTPVTFIAHSONKH-QWRGUYRKSA-N 1 3 216.369 1.356 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](CCO)C1CCC1 ZINC000414741658 386325327 /nfs/dbraw/zinc/32/53/27/386325327.db2.gz FKRBPAXSAOKSDX-NSHDSACASA-N 1 3 214.353 1.207 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCC[C@@]2(CCCOC2)C1 ZINC000647888188 386340881 /nfs/dbraw/zinc/34/08/81/386340881.db2.gz YBGXHYDCAGNJES-UONOGXRCSA-N 1 3 238.375 1.489 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000335277678 386343163 /nfs/dbraw/zinc/34/31/63/386343163.db2.gz SEYCODDDPUQVTR-UHFFFAOYSA-N 1 3 233.315 1.002 20 0 BDADHO CC[C@@]1(CO)CCCN1C[C@H]([NH3+])CC(C)C ZINC000414748369 386351939 /nfs/dbraw/zinc/35/19/39/386351939.db2.gz WMSZJUAFTFGPQP-OLZOCXBDSA-N 1 3 228.380 1.597 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCSC1 ZINC000414904838 386354494 /nfs/dbraw/zinc/35/44/94/386354494.db2.gz MCUPOEFMNXWDKD-WDEREUQCSA-N 1 3 214.378 1.471 20 0 BDADHO CO[C@@H](C)C[N@H+](C)CCCN1CCCC1 ZINC000336692035 386363738 /nfs/dbraw/zinc/36/37/38/386363738.db2.gz MXZYOPIQUBNZFW-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CO[C@@H](C)C[N@@H+](C)CCCN1CCCC1 ZINC000336692035 386363740 /nfs/dbraw/zinc/36/37/40/386363740.db2.gz MXZYOPIQUBNZFW-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO C[C@@H](CC1CCOCC1)NCC[C@H]1CCC[NH2+]1 ZINC000414906106 386371244 /nfs/dbraw/zinc/37/12/44/386371244.db2.gz OTLCHEFQHFNZTK-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000414906073 386371612 /nfs/dbraw/zinc/37/16/12/386371612.db2.gz ORGVJECSXZIUGP-MCIONIFRSA-N 1 3 240.391 1.922 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336696839 386378207 /nfs/dbraw/zinc/37/82/07/386378207.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336696839 386378212 /nfs/dbraw/zinc/37/82/12/386378212.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336696839 386378218 /nfs/dbraw/zinc/37/82/18/386378218.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336696839 386378221 /nfs/dbraw/zinc/37/82/21/386378221.db2.gz HHAZULWDUPGPNW-OLZOCXBDSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@]1(C[NH2+]C[C@H]2CCCOC2)CCCNC1 ZINC000414902893 386326761 /nfs/dbraw/zinc/32/67/61/386326761.db2.gz HVJDSVNONMEFHV-OLZOCXBDSA-N 1 3 226.364 1.392 20 0 BDADHO c1ccc([C@@H]2C[C@H]2CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000414741860 386327560 /nfs/dbraw/zinc/32/75/60/386327560.db2.gz SNWZRFUMKOMUEL-JONQDZQNSA-N 1 3 242.366 1.941 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336677915 386330056 /nfs/dbraw/zinc/33/00/56/386330056.db2.gz ACYQAHLJMIWIHS-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000336677915 386330063 /nfs/dbraw/zinc/33/00/63/386330063.db2.gz ACYQAHLJMIWIHS-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C(C)(C)C)C1 ZINC000336677915 386330068 /nfs/dbraw/zinc/33/00/68/386330068.db2.gz ACYQAHLJMIWIHS-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)C(C)(C)C)C1 ZINC000336677915 386330075 /nfs/dbraw/zinc/33/00/75/386330075.db2.gz ACYQAHLJMIWIHS-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000336717897 386441257 /nfs/dbraw/zinc/44/12/57/386441257.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000336717897 386441263 /nfs/dbraw/zinc/44/12/63/386441263.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCOC2)C1 ZINC000336717897 386441269 /nfs/dbraw/zinc/44/12/69/386441269.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCOC2)C1 ZINC000336717897 386441272 /nfs/dbraw/zinc/44/12/72/386441272.db2.gz WOIBNVKBOIJSGD-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CC2(C)COC2)C1 ZINC000336700886 386401815 /nfs/dbraw/zinc/40/18/15/386401815.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 1 3 226.364 1.297 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CC2(C)COC2)C1 ZINC000336700886 386401818 /nfs/dbraw/zinc/40/18/18/386401818.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CC2(C)COC2)C1 ZINC000336700886 386401821 /nfs/dbraw/zinc/40/18/21/386401821.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 1 3 226.364 1.297 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CC2(C)COC2)C1 ZINC000336700886 386401824 /nfs/dbraw/zinc/40/18/24/386401824.db2.gz LNVYGBAHTBVYRS-GFCCVEGCSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCO1 ZINC000336732712 386402817 /nfs/dbraw/zinc/40/28/17/386402817.db2.gz FZYTUWRPYOMIOV-WCQYABFASA-N 1 3 224.348 1.405 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000414757392 386403302 /nfs/dbraw/zinc/40/33/02/386403302.db2.gz LBTLKVJJSFVUNF-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000414757392 386403307 /nfs/dbraw/zinc/40/33/07/386403307.db2.gz LBTLKVJJSFVUNF-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO Cc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccn1 ZINC000391121438 386410721 /nfs/dbraw/zinc/41/07/21/386410721.db2.gz JKWXQCRMWQFJPG-OLZOCXBDSA-N 1 3 219.332 1.607 20 0 BDADHO Cc1cnc(CNCCCC[NH+](C)C)n1C ZINC000336777285 386419757 /nfs/dbraw/zinc/41/97/57/386419757.db2.gz HZSGAVVHDQDLQZ-UHFFFAOYSA-N 1 3 224.352 1.160 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCCC1 ZINC000415042780 386528744 /nfs/dbraw/zinc/52/87/44/386528744.db2.gz SURJOLVKBRUGFF-XEZLXBQYSA-N 1 3 208.349 1.763 20 0 BDADHO COc1cccc(C[C@H](C)NC2CC[NH2+]CC2)n1 ZINC000414776499 386478766 /nfs/dbraw/zinc/47/87/66/386478766.db2.gz FIPRCTWGTIZCCH-NSHDSACASA-N 1 3 249.358 1.363 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+]C2CCNCC2)n1 ZINC000414776499 386478772 /nfs/dbraw/zinc/47/87/72/386478772.db2.gz FIPRCTWGTIZCCH-NSHDSACASA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)[C@H](C)N ZINC000415011108 386485121 /nfs/dbraw/zinc/48/51/21/386485121.db2.gz QDSCNCVDZODPLZ-DTWKUNHWSA-N 1 3 218.304 1.388 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NCCCc1ccc2c(c1)CCO2 ZINC000415015298 386499429 /nfs/dbraw/zinc/49/94/29/386499429.db2.gz MREPLYOMXRILAG-RYUDHWBXSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@H](CCC[NH3+])NCc1nc2ccccc2n1C ZINC000415016480 386502310 /nfs/dbraw/zinc/50/23/10/386502310.db2.gz CIAPJUDAHJMBOJ-LLVKDONJSA-N 1 3 246.358 1.790 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@]1(C)CCCO1 ZINC000340366525 386505362 /nfs/dbraw/zinc/50/53/62/386505362.db2.gz PJPPKTBEBSSSSA-STQMWFEESA-N 1 3 244.379 1.112 20 0 BDADHO C(NC[C@H]1C[NH2+]CCCO1)C1CCCCCC1 ZINC000415044015 386529905 /nfs/dbraw/zinc/52/99/05/386529905.db2.gz RWOKKNBOLIOBLS-CQSZACIVSA-N 1 3 240.391 1.925 20 0 BDADHO C[C@@H](CCC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415029355 386516155 /nfs/dbraw/zinc/51/61/55/386516155.db2.gz AVCCEUWBIOPDPO-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO FC(F)(F)[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415030214 386519411 /nfs/dbraw/zinc/51/94/11/386519411.db2.gz DQBRZGWVIKRXSI-XXFSISAASA-N 1 3 248.292 1.915 20 0 BDADHO CCOC[C@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414916246 386520990 /nfs/dbraw/zinc/52/09/90/386520990.db2.gz PGVGAMQKXASLIW-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414916246 386520995 /nfs/dbraw/zinc/52/09/95/386520995.db2.gz PGVGAMQKXASLIW-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543660 386524376 /nfs/dbraw/zinc/52/43/76/386524376.db2.gz IAXPNOYMEFOKSA-VXGBXAGGSA-N 1 3 249.362 1.078 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425543660 386524381 /nfs/dbraw/zinc/52/43/81/386524381.db2.gz IAXPNOYMEFOKSA-VXGBXAGGSA-N 1 3 249.362 1.078 20 0 BDADHO C(C[C@@H]1CCOC1)NCC[C@H]1CCC[NH2+]1 ZINC000414911575 386456205 /nfs/dbraw/zinc/45/62/05/386456205.db2.gz WNPDJUHNQOCWDC-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000395208752 386460624 /nfs/dbraw/zinc/46/06/24/386460624.db2.gz ZTMJAZQUZSHAJG-NWDGAFQWSA-N 1 3 241.379 1.023 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000415076365 386579514 /nfs/dbraw/zinc/57/95/14/386579514.db2.gz GIAAQCYMMHTRQX-UONOGXRCSA-N 1 3 239.407 1.593 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@H]1CCCNCC1 ZINC000415076546 386579958 /nfs/dbraw/zinc/57/99/58/386579958.db2.gz CVQWNDSKVWSBBM-ZDUSSCGKSA-N 1 3 242.407 1.907 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CNC[C@H]1O)C1CCCCC1 ZINC000414800244 386583786 /nfs/dbraw/zinc/58/37/86/386583786.db2.gz ZBZFTSBEZOQMKF-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]C[C@H]1O)C1CCCCC1 ZINC000414800244 386583791 /nfs/dbraw/zinc/58/37/91/386583791.db2.gz ZBZFTSBEZOQMKF-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO Cc1ncccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000414787901 386530890 /nfs/dbraw/zinc/53/08/90/386530890.db2.gz CWPFVIUKOZLCHJ-YPMHNXCESA-N 1 3 219.332 1.607 20 0 BDADHO C[C@@H](CC[N@H+](CCN)CCO)c1ccccc1 ZINC000414917228 386532226 /nfs/dbraw/zinc/53/22/26/386532226.db2.gz VGVHJDWDCPYGCQ-ZDUSSCGKSA-N 1 3 236.359 1.433 20 0 BDADHO C[C@@H](CC[N@@H+](CCN)CCO)c1ccccc1 ZINC000414917228 386532232 /nfs/dbraw/zinc/53/22/32/386532232.db2.gz VGVHJDWDCPYGCQ-ZDUSSCGKSA-N 1 3 236.359 1.433 20 0 BDADHO CC[C@H](C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415046719 386534664 /nfs/dbraw/zinc/53/46/64/386534664.db2.gz VDMKCLACQHLWLC-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CCC[C@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972765 386535228 /nfs/dbraw/zinc/53/52/28/386535228.db2.gz NAJOLPGTLSIFOY-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@H](CN)C1CCCC1 ZINC000415065869 386547762 /nfs/dbraw/zinc/54/77/62/386547762.db2.gz NTNLLVSINSDQEE-QWHCGFSZSA-N 1 3 227.396 1.467 20 0 BDADHO CCCC1CCC(CN(C)C[C@@H](O)C[NH3+])CC1 ZINC000415067972 386552139 /nfs/dbraw/zinc/55/21/39/386552139.db2.gz LVZXWHUSCJYTBU-RUXDESIVSA-N 1 3 242.407 1.844 20 0 BDADHO CC[C@@H]1C[C@@H](CN[C@H]2CCCC[NH2+]C2)CCO1 ZINC000415070285 386552560 /nfs/dbraw/zinc/55/25/60/386552560.db2.gz QMQBTGYLVUBXHA-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)[C@@H]1CCCO1 ZINC000415084452 386597380 /nfs/dbraw/zinc/59/73/80/386597380.db2.gz RHWVHLPPMKYCTR-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415084452 386597382 /nfs/dbraw/zinc/59/73/82/386597382.db2.gz RHWVHLPPMKYCTR-AVGNSLFASA-N 1 3 226.364 1.533 20 0 BDADHO C[NH2+]CCCN1CCc2ccccc2[C@H]1CN ZINC000647995882 386559524 /nfs/dbraw/zinc/55/95/24/386559524.db2.gz WBWRPFWZXIRETI-CQSZACIVSA-N 1 3 233.359 1.154 20 0 BDADHO C[C@@H]1CCCC[C@@H]1CN(C)C[C@@H](O)C[NH3+] ZINC000415072056 386563104 /nfs/dbraw/zinc/56/31/04/386563104.db2.gz VFXHSUYHKDJVSS-UTUOFQBUSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@]1(CNCCc2ccccn2)CC[NH2+]C1 ZINC000415104840 386624242 /nfs/dbraw/zinc/62/42/42/386624242.db2.gz LJEPUIOIJPEMKR-ZDUSSCGKSA-N 1 3 219.332 1.213 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCNC1)C1CCSCC1 ZINC000335498706 386625661 /nfs/dbraw/zinc/62/56/61/386625661.db2.gz UFAQLSKSNDYUNW-MWLCHTKSSA-N 1 3 214.378 1.470 20 0 BDADHO Nc1ncc(CN[C@@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414810662 386630888 /nfs/dbraw/zinc/63/08/88/386630888.db2.gz VNBLQAXBNVSJET-PSASIEDQSA-N 1 3 240.376 1.163 20 0 BDADHO C[NH2+]CCCN(C)CC(C)(C)COC ZINC000415127243 386632154 /nfs/dbraw/zinc/63/21/54/386632154.db2.gz QOYSLQCHCLZWQR-UHFFFAOYSA-N 1 3 202.342 1.200 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@H](CF)C2)CC[NH2+]1 ZINC000415120676 386633819 /nfs/dbraw/zinc/63/38/19/386633819.db2.gz JAUOZOPUVYZGPF-IJLUTSLNSA-N 1 3 230.327 1.045 20 0 BDADHO CC[C@H]1CC[C@@H]1[NH2+]CCOCCN(C)C ZINC000336758354 386636170 /nfs/dbraw/zinc/63/61/70/386636170.db2.gz JPSGBGVTTXJTPO-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CCCC[C@@H](COC)N[C@@H](C[NH3+])C1CC1 ZINC000414814036 386637366 /nfs/dbraw/zinc/63/73/66/386637366.db2.gz RHQLWOUVDOTDIG-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000415139987 386640813 /nfs/dbraw/zinc/64/08/13/386640813.db2.gz MLGRUQRRYVFGLM-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000415139987 386640820 /nfs/dbraw/zinc/64/08/20/386640820.db2.gz MLGRUQRRYVFGLM-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@@H](CO)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000415139987 386640822 /nfs/dbraw/zinc/64/08/22/386640822.db2.gz MLGRUQRRYVFGLM-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](C)COCC ZINC000414816342 386647561 /nfs/dbraw/zinc/64/75/61/386647561.db2.gz PMJXYLPSGDOHAW-WDEREUQCSA-N 1 3 202.342 1.519 20 0 BDADHO C(N[C@@H]1CCCC12CCC2)[C@H]1C[NH2+]CCCO1 ZINC000335487424 386603426 /nfs/dbraw/zinc/60/34/26/386603426.db2.gz JWJMEFRIUYOTTE-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO C[C@]1(C[NH2+]C2CCC(O)CC2)CCCNC1 ZINC000335488153 386605014 /nfs/dbraw/zinc/60/50/14/386605014.db2.gz NHFVJHUKJUVADS-BPCQOVAHSA-N 1 3 226.364 1.269 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H](CC)COC ZINC000414816746 386659213 /nfs/dbraw/zinc/65/92/13/386659213.db2.gz QKMFIXLRIDDQGB-GHMZBOCLSA-N 1 3 202.342 1.519 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414819938 386660917 /nfs/dbraw/zinc/66/09/17/386660917.db2.gz IRTUVLKPOBDHCU-AGIUHOORSA-N 1 3 236.363 1.249 20 0 BDADHO C[NH2+]CCN[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000414820668 386664580 /nfs/dbraw/zinc/66/45/80/386664580.db2.gz CNMJEXLKZCGXDO-UKRRQHHQSA-N 1 3 247.386 1.631 20 0 BDADHO C1C[C@]2(CO1)CCC[N@@H+]([C@@H]1CCCNCC1)C2 ZINC000335525692 386669480 /nfs/dbraw/zinc/66/94/80/386669480.db2.gz PSBLZUOIWQIBSG-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO C1C[C@]2(CO1)CCC[N@H+]([C@@H]1CCCNCC1)C2 ZINC000335525692 386669483 /nfs/dbraw/zinc/66/94/83/386669483.db2.gz PSBLZUOIWQIBSG-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO C1C[C@H]2CC(N[C@H]3CCCSC3)C[C@@H]1[NH2+]2 ZINC000414824476 386682665 /nfs/dbraw/zinc/68/26/65/386682665.db2.gz FZFRQYBKFRIOHF-PSIUFMSWSA-N 1 3 226.389 1.755 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN(C)C ZINC000425935359 386680579 /nfs/dbraw/zinc/68/05/79/386680579.db2.gz HVRHJSKCSXIXDQ-IHRRRGAJSA-N 1 3 242.407 1.979 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000425935361 386682040 /nfs/dbraw/zinc/68/20/40/386682040.db2.gz HVRHJSKCSXIXDQ-RDBSUJKOSA-N 1 3 242.407 1.979 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414830828 386711034 /nfs/dbraw/zinc/71/10/34/386711034.db2.gz CMMQJBZXWRIVJE-IRCOFANPSA-N 1 3 226.364 1.245 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414830828 386711038 /nfs/dbraw/zinc/71/10/38/386711038.db2.gz CMMQJBZXWRIVJE-IRCOFANPSA-N 1 3 226.364 1.245 20 0 BDADHO C[C@H](N)CC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000414828059 386697074 /nfs/dbraw/zinc/69/70/74/386697074.db2.gz YVHZTWHDUFOMIK-RYUDHWBXSA-N 1 3 228.380 1.766 20 0 BDADHO N[C@H](CN[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828295 386697309 /nfs/dbraw/zinc/69/73/09/386697309.db2.gz IOPFKXQSKOJQIS-UONOGXRCSA-N 1 3 233.359 1.418 20 0 BDADHO N[C@@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000414828294 386699509 /nfs/dbraw/zinc/69/95/09/386699509.db2.gz IOPFKXQSKOJQIS-KGLIPLIRSA-N 1 3 233.359 1.418 20 0 BDADHO CC[C@H]1C[C@@H](CNCC[NH2+]C)CCO1 ZINC000414828955 386701539 /nfs/dbraw/zinc/70/15/39/386701539.db2.gz LQXDGDNGLHZHNT-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO [NH3+]CCOCCN1CCC[C@H]1c1ccsc1 ZINC000357067267 386708702 /nfs/dbraw/zinc/70/87/02/386708702.db2.gz DJPRTPOTXOWYHH-LBPRGKRZSA-N 1 3 240.372 1.860 20 0 BDADHO CN(C)CC[N@H+](C)CCCNCc1ccco1 ZINC000623088246 386724850 /nfs/dbraw/zinc/72/48/50/386724850.db2.gz BUNTZFRTYMDFMU-UHFFFAOYSA-N 1 3 239.363 1.253 20 0 BDADHO CN(C)CC[N@@H+](C)CCCNCc1ccco1 ZINC000623088246 386724855 /nfs/dbraw/zinc/72/48/55/386724855.db2.gz BUNTZFRTYMDFMU-UHFFFAOYSA-N 1 3 239.363 1.253 20 0 BDADHO C[C@@]1(CN2CCC[C@H]2CCCO)CC[NH2+]C1 ZINC000340700389 386746084 /nfs/dbraw/zinc/74/60/84/386746084.db2.gz HOSGXFXVJZAZPG-QWHCGFSZSA-N 1 3 226.364 1.223 20 0 BDADHO CCCCN(CCOC)C[C@@]1(C)CC[NH2+]C1 ZINC000340712790 386761338 /nfs/dbraw/zinc/76/13/38/386761338.db2.gz NLYJYQZQUZPHJT-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO CC[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357361142 386766260 /nfs/dbraw/zinc/76/62/60/386766260.db2.gz DVJYMPGFSAGPJP-GFCCVEGCSA-N 1 3 241.379 1.091 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357358883 386768384 /nfs/dbraw/zinc/76/83/84/386768384.db2.gz XNDPCNJYRUXMMF-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C2(C)CCNCC2)CCO1 ZINC000414936107 386818016 /nfs/dbraw/zinc/81/80/16/386818016.db2.gz GOPQDPZPZPODIV-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417840795 386800723 /nfs/dbraw/zinc/80/07/23/386800723.db2.gz SKOUQSUKNFCPMH-WCQYABFASA-N 1 3 241.379 1.138 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)CN)C1 ZINC000414942722 386893271 /nfs/dbraw/zinc/89/32/71/386893271.db2.gz KODUQBAEAAICHC-GZBFAFLISA-N 1 3 247.386 1.759 20 0 BDADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H](C)C[NH3+])C1 ZINC000414942722 386893273 /nfs/dbraw/zinc/89/32/73/386893273.db2.gz KODUQBAEAAICHC-GZBFAFLISA-N 1 3 247.386 1.759 20 0 BDADHO C[C@@H](CC(N)=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000358028176 386881661 /nfs/dbraw/zinc/88/16/61/386881661.db2.gz WUPVHVLVLXTDQC-JTQLQIEISA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000334856222 386909033 /nfs/dbraw/zinc/90/90/33/386909033.db2.gz HELSRTADXIKENJ-MFKMUULPSA-N 1 3 244.342 1.651 20 0 BDADHO CC(C)(N)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334856452 386909522 /nfs/dbraw/zinc/90/95/22/386909522.db2.gz XWNXTROFRDWXDY-QWHCGFSZSA-N 1 3 240.391 1.597 20 0 BDADHO CC(C)(N)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334856452 386909524 /nfs/dbraw/zinc/90/95/24/386909524.db2.gz XWNXTROFRDWXDY-QWHCGFSZSA-N 1 3 240.391 1.597 20 0 BDADHO Cc1cn[nH]c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000334870978 386930049 /nfs/dbraw/zinc/93/00/49/386930049.db2.gz VXBIMFAHJURHJN-JSGCOSHPSA-N 1 3 248.374 1.682 20 0 BDADHO c1ccc2c(c1)CC([NH2+]C[C@H]1CNCCCO1)C2 ZINC000334875555 386937642 /nfs/dbraw/zinc/93/76/42/386937642.db2.gz VCCUXRHLNZVXLR-OAHLLOKOSA-N 1 3 246.354 1.122 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000398703978 386959972 /nfs/dbraw/zinc/95/99/72/386959972.db2.gz XSRJZZRGTQWPGN-ZDEQEGDKSA-N 1 3 228.380 1.501 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000395191322 386980618 /nfs/dbraw/zinc/98/06/18/386980618.db2.gz COVBNHSHWQUBHU-YVECIDJPSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1c2ccccc2CCN1CCC[NH3+] ZINC000334820977 386950675 /nfs/dbraw/zinc/95/06/75/386950675.db2.gz VQFDDTQFTZETHU-LLVKDONJSA-N 1 3 204.317 1.955 20 0 BDADHO c1cc(C[NH2+]C2CCNCC2)c2c(c1)NCCC2 ZINC000334821347 386950693 /nfs/dbraw/zinc/95/06/93/386950693.db2.gz XFRCSFDNYHIGMD-UHFFFAOYSA-N 1 3 245.370 1.886 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000332060582 386952105 /nfs/dbraw/zinc/95/21/05/386952105.db2.gz YQQRXKDDQFKMIE-SDDRHHMPSA-N 1 3 214.353 1.253 20 0 BDADHO CCOCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000369736043 387064798 /nfs/dbraw/zinc/06/47/98/387064798.db2.gz LVDZANIPQRBFNA-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CCOCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000369736043 387064803 /nfs/dbraw/zinc/06/48/03/387064803.db2.gz LVDZANIPQRBFNA-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCCCN1 ZINC000333344073 387028637 /nfs/dbraw/zinc/02/86/37/387028637.db2.gz YTPWISBWASLALW-WXHSDQCUSA-N 1 3 248.374 1.387 20 0 BDADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccccc1N(C)C ZINC000423298697 387130284 /nfs/dbraw/zinc/13/02/84/387130284.db2.gz ASTXXURFQRTMJO-NWDGAFQWSA-N 1 3 235.375 1.998 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000228294455 387085839 /nfs/dbraw/zinc/08/58/39/387085839.db2.gz SVQAUNBFXDIALG-YNEHKIRRSA-N 1 3 228.380 1.502 20 0 BDADHO CC1(F)CC([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000335008422 387102022 /nfs/dbraw/zinc/10/20/22/387102022.db2.gz UAQCUKHYEYHPDR-BZCXBAJXSA-N 1 3 200.301 1.594 20 0 BDADHO CC1(F)CC(N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000335008422 387102029 /nfs/dbraw/zinc/10/20/29/387102029.db2.gz UAQCUKHYEYHPDR-BZCXBAJXSA-N 1 3 200.301 1.594 20 0 BDADHO CC1(F)CC([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000335008425 387102953 /nfs/dbraw/zinc/10/29/53/387102953.db2.gz UAQCUKHYEYHPDR-XEAZBWPWSA-N 1 3 200.301 1.594 20 0 BDADHO CC1(F)CC(N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000335008425 387102955 /nfs/dbraw/zinc/10/29/55/387102955.db2.gz UAQCUKHYEYHPDR-XEAZBWPWSA-N 1 3 200.301 1.594 20 0 BDADHO CC[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370638514 387132032 /nfs/dbraw/zinc/13/20/32/387132032.db2.gz XZYWYFMBFAXMOC-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@@H]([NH2+]C[C@@H](C)CN)C1(C(=O)OC)CCC1 ZINC000423299565 387129207 /nfs/dbraw/zinc/12/92/07/387129207.db2.gz BWRRIARKUKGBNB-WDEREUQCSA-N 1 3 242.363 1.293 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2C[NH2+]C2)C12CCCC2 ZINC000423308073 387143032 /nfs/dbraw/zinc/14/30/32/387143032.db2.gz XGVIZDKWSIWRFT-OLZOCXBDSA-N 1 3 238.375 1.533 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CC2CNC2)C12CCCC2 ZINC000423308073 387143039 /nfs/dbraw/zinc/14/30/39/387143039.db2.gz XGVIZDKWSIWRFT-OLZOCXBDSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423307896 387144285 /nfs/dbraw/zinc/14/42/85/387144285.db2.gz NWPROBBEALHCER-XJFOESAGSA-N 1 3 240.391 1.766 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CCCC12CCOCC2 ZINC000423309333 387145199 /nfs/dbraw/zinc/14/51/99/387145199.db2.gz LCHKREUSKBWUAP-CYBMUJFWSA-N 1 3 240.391 1.925 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC(C)(CO)CC1 ZINC000186958813 387154923 /nfs/dbraw/zinc/15/49/23/387154923.db2.gz SPQONWNCMBBOOY-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC(C)(CO)CC1 ZINC000186958813 387154929 /nfs/dbraw/zinc/15/49/29/387154929.db2.gz SPQONWNCMBBOOY-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CCCCO[C@H]1C[C@H](N[C@H](C)C[NH3+])C1(C)C ZINC000423315620 387157243 /nfs/dbraw/zinc/15/72/43/387157243.db2.gz ABGWSNOSCURIOE-WOPDTQHZSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H]([NH2+]C[C@]1(C)CCCNC1)C1CCOCC1 ZINC000423319155 387159236 /nfs/dbraw/zinc/15/92/36/387159236.db2.gz CZZGIUSUKUAQTO-TZMCWYRMSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCNC1)C1CCOCC1 ZINC000423319151 387159521 /nfs/dbraw/zinc/15/95/21/387159521.db2.gz CZZGIUSUKUAQTO-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO COc1cccc2c1CC[C@@H](NCC1C[NH2+]C1)C2 ZINC000423324363 387168132 /nfs/dbraw/zinc/16/81/32/387168132.db2.gz PGAQPLFOCWUWTN-CYBMUJFWSA-N 1 3 246.354 1.362 20 0 BDADHO COc1cccc2c1CC[C@@H]([NH2+]CC1CNC1)C2 ZINC000423324363 387168140 /nfs/dbraw/zinc/16/81/40/387168140.db2.gz PGAQPLFOCWUWTN-CYBMUJFWSA-N 1 3 246.354 1.362 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)CC(=O)Nc1ccccc1 ZINC000423301481 387135384 /nfs/dbraw/zinc/13/53/84/387135384.db2.gz TWGNDMZAFSYMDK-VXGBXAGGSA-N 1 3 249.358 1.588 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000423301481 387135388 /nfs/dbraw/zinc/13/53/88/387135388.db2.gz TWGNDMZAFSYMDK-VXGBXAGGSA-N 1 3 249.358 1.588 20 0 BDADHO CCCCO[C@@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000423303919 387137186 /nfs/dbraw/zinc/13/71/86/387137186.db2.gz NEDGFUZMOKWCRU-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO CCCCO[C@@H]1C[C@@H]([NH2+]CC2CNC2)C1(C)C ZINC000423303919 387137189 /nfs/dbraw/zinc/13/71/89/387137189.db2.gz NEDGFUZMOKWCRU-CHWSQXEVSA-N 1 3 240.391 1.779 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@@H](COC)C1CC1 ZINC000423304794 387139594 /nfs/dbraw/zinc/13/95/94/387139594.db2.gz ZLXFBICMUSDDFC-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@H](C)C[NH2+]C)C1(C)C ZINC000300394599 387204063 /nfs/dbraw/zinc/20/40/63/387204063.db2.gz YFAOGKGCBDREHY-IJLUTSLNSA-N 1 3 228.380 1.635 20 0 BDADHO CCC1(CC)[C@H](N[C@@H](C)C[NH3+])C[C@@H]1OC ZINC000423361085 387212316 /nfs/dbraw/zinc/21/23/16/387212316.db2.gz GQJAVDVKHNEHAQ-AXFHLTTASA-N 1 3 214.353 1.517 20 0 BDADHO CCC1(CC)[C@@H](N[C@@H](C)C[NH3+])C[C@@H]1OC ZINC000423361086 387214217 /nfs/dbraw/zinc/21/42/17/387214217.db2.gz GQJAVDVKHNEHAQ-DCAQKATOSA-N 1 3 214.353 1.517 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423366642 387218234 /nfs/dbraw/zinc/21/82/34/387218234.db2.gz CSFNHDVMNQQCBY-WUHRBBMRSA-N 1 3 225.380 1.057 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1CCOC1 ZINC000423369516 387224825 /nfs/dbraw/zinc/22/48/25/387224825.db2.gz DZBKADVMYKGVKA-LOWDOPEQSA-N 1 3 226.364 1.661 20 0 BDADHO C[NH+](C)CCOCCNCc1ccc(F)cc1 ZINC000230005010 387225791 /nfs/dbraw/zinc/22/57/91/387225791.db2.gz FBICIUGEYVFSMQ-UHFFFAOYSA-N 1 3 240.322 1.494 20 0 BDADHO COc1cc([C@H](C)[NH2+][C@@H](C)CN)ccc1F ZINC000423373889 387228906 /nfs/dbraw/zinc/22/89/06/387228906.db2.gz SLNDTMGTZADDBD-IUCAKERBSA-N 1 3 226.295 1.832 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423400865 387234917 /nfs/dbraw/zinc/23/49/17/387234917.db2.gz QKXDZTYNQIFCDV-UVLXDEKHSA-N 1 3 237.391 1.057 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423403264 387237587 /nfs/dbraw/zinc/23/75/87/387237587.db2.gz RYWWZUTYGQIVHP-FQUUOJAGSA-N 1 3 240.391 1.779 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000423403271 387238864 /nfs/dbraw/zinc/23/88/64/387238864.db2.gz RYWWZUTYGQIVHP-RQJABVFESA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414575 387245470 /nfs/dbraw/zinc/24/54/70/387245470.db2.gz NERMOHBJMCANIO-KBPBESRZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+][C@H]1CCNC[C@H]1C ZINC000423410322 387245694 /nfs/dbraw/zinc/24/56/94/387245694.db2.gz ZZEFKECNULSFNL-PEBLQZBPSA-N 1 3 239.407 1.303 20 0 BDADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000423410324 387245852 /nfs/dbraw/zinc/24/58/52/387245852.db2.gz ZZEFKECNULSFNL-XHJNMGKDSA-N 1 3 239.407 1.303 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CC[C@@](C)(O)C1 ZINC000230202681 387246651 /nfs/dbraw/zinc/24/66/51/387246651.db2.gz MFJAAVYXFPUNKI-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CC[C@@](C)(O)C1 ZINC000230202681 387246654 /nfs/dbraw/zinc/24/66/54/387246654.db2.gz MFJAAVYXFPUNKI-CHWSQXEVSA-N 1 3 226.364 1.318 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@@](C)(N)CCC ZINC000353646843 387247194 /nfs/dbraw/zinc/24/71/94/387247194.db2.gz ZPXJOVFETNMQRC-ZDUSSCGKSA-N 1 3 243.395 1.352 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@@](C)(N)CCC ZINC000353646843 387247199 /nfs/dbraw/zinc/24/71/99/387247199.db2.gz ZPXJOVFETNMQRC-ZDUSSCGKSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1CCCOC1 ZINC000423349278 387199070 /nfs/dbraw/zinc/19/90/70/387199070.db2.gz VICIJDDWJJEKIW-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000423379250 387260079 /nfs/dbraw/zinc/26/00/79/387260079.db2.gz MUMFYMRAJUCTGJ-JLLWLGSASA-N 1 3 212.337 1.142 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)C1CC1 ZINC000423379250 387260082 /nfs/dbraw/zinc/26/00/82/387260082.db2.gz MUMFYMRAJUCTGJ-JLLWLGSASA-N 1 3 212.337 1.142 20 0 BDADHO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)CN)CCC2 ZINC000423379461 387263548 /nfs/dbraw/zinc/26/35/48/387263548.db2.gz XRWWAVWXDHNTNJ-CBAPKCEASA-N 1 3 225.361 1.766 20 0 BDADHO C[C@@H](Cc1ccoc1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423385383 387268525 /nfs/dbraw/zinc/26/85/25/387268525.db2.gz QWGOVWQWFPHOHE-NTZNESFSSA-N 1 3 222.332 1.941 20 0 BDADHO C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000423385383 387268530 /nfs/dbraw/zinc/26/85/30/387268530.db2.gz QWGOVWQWFPHOHE-NTZNESFSSA-N 1 3 222.332 1.941 20 0 BDADHO CC[C@H](N[C@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431978 387284605 /nfs/dbraw/zinc/28/46/05/387284605.db2.gz MDJIQJRULOKEFP-NEPJUHHUSA-N 1 3 238.379 1.978 20 0 BDADHO C[C@@H]1CC(C)(C)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423438339 387288671 /nfs/dbraw/zinc/28/86/71/387288671.db2.gz RHVKVTRJNFZEKG-ZIQFBCGOSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@@H]1CC[C@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423440954 387289988 /nfs/dbraw/zinc/28/99/88/387289988.db2.gz XTSZMUIPCUWLPO-PDWLFKFUSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423449813 387299541 /nfs/dbraw/zinc/29/95/41/387299541.db2.gz SEKJDAHDRBSGCU-PREPNJAASA-N 1 3 226.364 1.515 20 0 BDADHO C[C@H]1CCC[C@H](C)C1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423455739 387304810 /nfs/dbraw/zinc/30/48/10/387304810.db2.gz MRDBSQJYTBYEGS-HKLXJQGRSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@H](NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000423473763 387318812 /nfs/dbraw/zinc/31/88/12/387318812.db2.gz OAVJSHDKHWTTNV-QJPTWQEYSA-N 1 3 236.363 1.588 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H](Cn1cccn1)C(C)C ZINC000423473091 387318912 /nfs/dbraw/zinc/31/89/12/387318912.db2.gz QNVWCNSQYAFAPX-NEPJUHHUSA-N 1 3 224.352 1.235 20 0 BDADHO C[C@H]1CC(C)(C)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423459169 387306900 /nfs/dbraw/zinc/30/69/00/387306900.db2.gz RHVKVTRJNFZEKG-HHHUOAJASA-N 1 3 208.349 1.619 20 0 BDADHO COCCC[C@H](C)NC[C@@H]1CCCC[NH2+]1 ZINC000643501527 387354586 /nfs/dbraw/zinc/35/45/86/387354586.db2.gz JPBWDGMJHCRTMU-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO COCCC[C@@H](C)N[C@@H]1CCCC[NH2+]C1 ZINC000423543498 387368613 /nfs/dbraw/zinc/36/86/13/387368613.db2.gz BZBLBJZOQJBDMK-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)C1CNC1 ZINC000423554005 387372058 /nfs/dbraw/zinc/37/20/58/387372058.db2.gz RFFWEWZPDIETAS-JQWIXIFHSA-N 1 3 240.416 1.717 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)C1CNC1 ZINC000423554008 387373574 /nfs/dbraw/zinc/37/35/74/387373574.db2.gz RFFWEWZPDIETAS-ZYHUDNBSSA-N 1 3 240.416 1.717 20 0 BDADHO COCC1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000423571528 387379682 /nfs/dbraw/zinc/37/96/82/387379682.db2.gz XRBAUXKVPUZGFG-RUXDESIVSA-N 1 3 240.391 1.923 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H]([NH3+])CC)C12CCC2 ZINC000423484545 387330869 /nfs/dbraw/zinc/33/08/69/387330869.db2.gz YOMPYIVYWZRSSJ-GRYCIOLGSA-N 1 3 226.364 1.661 20 0 BDADHO Cc1nccnc1[C@H](C)NCCC[C@H]1CCC[NH2+]1 ZINC000423485410 387332212 /nfs/dbraw/zinc/33/22/12/387332212.db2.gz ROAAOUPCAGVDHR-AAEUAGOBSA-N 1 3 248.374 1.968 20 0 BDADHO CC[C@@H]1CC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000423496784 387338778 /nfs/dbraw/zinc/33/87/78/387338778.db2.gz XQJISWPSZPUENB-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO CCN1C[C@@H](C)[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000423501191 387340750 /nfs/dbraw/zinc/34/07/50/387340750.db2.gz AYZMSWIPAUKMOR-YIYPIFLZSA-N 1 3 239.407 1.243 20 0 BDADHO CCN1C[C@@H](C)[C@@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)C1 ZINC000423501191 387340755 /nfs/dbraw/zinc/34/07/55/387340755.db2.gz AYZMSWIPAUKMOR-YIYPIFLZSA-N 1 3 239.407 1.243 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000361399442 387454629 /nfs/dbraw/zinc/45/46/29/387454629.db2.gz FNXOYGHNRCRIGF-ZIAGYGMSSA-N 1 3 241.423 1.648 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361405166 387454692 /nfs/dbraw/zinc/45/46/92/387454692.db2.gz WTQOBTSVDCFBOD-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000361405166 387454696 /nfs/dbraw/zinc/45/46/96/387454696.db2.gz WTQOBTSVDCFBOD-GFCCVEGCSA-N 1 3 228.380 1.564 20 0 BDADHO CCOC(=O)CCN1CCC(CC[NH3+])CC1 ZINC000516075600 387456103 /nfs/dbraw/zinc/45/61/03/387456103.db2.gz BQVXBUQZQIAYND-UHFFFAOYSA-N 1 3 228.336 1.000 20 0 BDADHO C[C@@H](CN[C@@H]1COC(C)(C)C1)C[NH+]1CCCC1 ZINC000396870046 387506158 /nfs/dbraw/zinc/50/61/58/387506158.db2.gz XBYLSKAMJLQAAK-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1COC(C)(C)C1)CN1CCCC1 ZINC000396870046 387506162 /nfs/dbraw/zinc/50/61/62/387506162.db2.gz XBYLSKAMJLQAAK-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H](NC1CCC(CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000643471301 387479422 /nfs/dbraw/zinc/47/94/22/387479422.db2.gz PKZGIRJODPOWMZ-PQAZSJQKSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCN1 ZINC000643471301 387479425 /nfs/dbraw/zinc/47/94/25/387479425.db2.gz PKZGIRJODPOWMZ-PQAZSJQKSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)NCCC[NH2+][C@H](C)C1CCOCC1 ZINC000643508364 387488423 /nfs/dbraw/zinc/48/84/23/387488423.db2.gz VQAFQKKUHXSLHV-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO CCC1(O)CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000643474162 387488439 /nfs/dbraw/zinc/48/84/39/387488439.db2.gz LGMZRBFJWQJLLW-IALDZJHCSA-N 1 3 228.380 1.786 20 0 BDADHO CCC1(O)CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000643474265 387488974 /nfs/dbraw/zinc/48/89/74/387488974.db2.gz ZGWJMJVAGSEDDB-AHPWVWPOSA-N 1 3 240.391 1.787 20 0 BDADHO CCC[C@H](C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336691982 387580723 /nfs/dbraw/zinc/58/07/23/387580723.db2.gz HJFZVSAQRLUAMC-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@H](C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000336691982 387580725 /nfs/dbraw/zinc/58/07/25/387580725.db2.gz HJFZVSAQRLUAMC-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305287231 387591955 /nfs/dbraw/zinc/59/19/55/387591955.db2.gz DBNPCGQTBCZYEG-IGQOVBAYSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305287231 387591961 /nfs/dbraw/zinc/59/19/61/387591961.db2.gz DBNPCGQTBCZYEG-IGQOVBAYSA-N 1 3 240.391 1.610 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CN)C1 ZINC000643514789 387599750 /nfs/dbraw/zinc/59/97/50/387599750.db2.gz DQFZNYSBLZVRQO-OUAUKWLOSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCOCC2CC2)C[C@H]1C[NH3+] ZINC000422635893 387611555 /nfs/dbraw/zinc/61/15/55/387611555.db2.gz LZXJLNXFNIIXIB-MBNYWOFBSA-N 1 3 240.391 1.718 20 0 BDADHO COC[C@@H](C)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422699782 387615036 /nfs/dbraw/zinc/61/50/36/387615036.db2.gz FFKBMRBVGSSJLW-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618372 /nfs/dbraw/zinc/61/83/72/387618372.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618378 /nfs/dbraw/zinc/61/83/78/387618378.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618383 /nfs/dbraw/zinc/61/83/83/387618383.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCC[C@H]1O ZINC000305636549 387618389 /nfs/dbraw/zinc/61/83/89/387618389.db2.gz ORZLZNOGZKVUTC-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO OC1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000527533186 387622813 /nfs/dbraw/zinc/62/28/13/387622813.db2.gz RECUKLWOEMERKC-MCIGGMRASA-N 1 3 224.348 1.164 20 0 BDADHO C[C@H](O)CC[N@H+](C)CC[C@H]1CCCN1C ZINC000305651446 387622941 /nfs/dbraw/zinc/62/29/41/387622941.db2.gz CDFYVSCOOLYWIO-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)CC[N@@H+](C)CC[C@H]1CCCN1C ZINC000305651446 387622945 /nfs/dbraw/zinc/62/29/45/387622945.db2.gz CDFYVSCOOLYWIO-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CCCCN(C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422708933 387623307 /nfs/dbraw/zinc/62/33/07/387623307.db2.gz JVXFOPUSMXIDOH-QWHCGFSZSA-N 1 3 227.396 1.435 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422715148 387627821 /nfs/dbraw/zinc/62/78/21/387627821.db2.gz RVUBJJKFDAUQQX-ZDEQEGDKSA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422715148 387627826 /nfs/dbraw/zinc/62/78/26/387627826.db2.gz RVUBJJKFDAUQQX-ZDEQEGDKSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@](C[NH3+])(NCCOCC(F)(F)F)C1CC1 ZINC000430579629 387630048 /nfs/dbraw/zinc/63/00/48/387630048.db2.gz QZTGZMQJOHVDLG-SECBINFHSA-N 1 3 240.269 1.282 20 0 BDADHO CC(C)C[C@@H](CN(C)C)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422717127 387630491 /nfs/dbraw/zinc/63/04/91/387630491.db2.gz OGVDQHSTVGMRHD-RDBSUJKOSA-N 1 3 241.423 1.693 20 0 BDADHO CCCCNC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430592969 387631083 /nfs/dbraw/zinc/63/10/83/387631083.db2.gz NZYPFERAJCKPPJ-ZDUSSCGKSA-N 1 3 241.379 1.010 20 0 BDADHO CN(CCN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430614287 387632358 /nfs/dbraw/zinc/63/23/58/387632358.db2.gz XWFVYIRGBNKRSW-AWEZNQCLSA-N 1 3 247.386 1.794 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CCCCCOC)C1 ZINC000430605975 387633565 /nfs/dbraw/zinc/63/35/65/387633565.db2.gz VBUIXCXDSVQAEC-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422724547 387633531 /nfs/dbraw/zinc/63/35/31/387633531.db2.gz VYQDRJDHWBNTRY-QWHCGFSZSA-N 1 3 236.363 1.299 20 0 BDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CC1 ZINC000422726320 387635395 /nfs/dbraw/zinc/63/53/95/387635395.db2.gz DOCAHCWLULISJH-MFKMUULPSA-N 1 3 204.317 1.697 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000422731741 387640240 /nfs/dbraw/zinc/64/02/40/387640240.db2.gz OCMDHKCTLRPCEF-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCn1ccnc1 ZINC000376502094 387643670 /nfs/dbraw/zinc/64/36/70/387643670.db2.gz NZMWRBGBDHBHBE-KBPBESRZSA-N 1 3 248.374 1.442 20 0 BDADHO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCn1ccnc1 ZINC000376502094 387643672 /nfs/dbraw/zinc/64/36/72/387643672.db2.gz NZMWRBGBDHBHBE-KBPBESRZSA-N 1 3 248.374 1.442 20 0 BDADHO CCC[C@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430729113 387644586 /nfs/dbraw/zinc/64/45/86/387644586.db2.gz FGASFDFLWFKKRH-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000422738682 387645597 /nfs/dbraw/zinc/64/55/97/387645597.db2.gz ZCEISWKPFUEFMC-FRRDWIJNSA-N 1 3 226.364 1.391 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744906 387648085 /nfs/dbraw/zinc/64/80/85/387648085.db2.gz UIZVVFAWLVUWQV-CABCVRRESA-N 1 3 248.370 1.929 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000643518642 387651935 /nfs/dbraw/zinc/65/19/35/387651935.db2.gz HISGWUXGOIUMIX-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CCCNC2)C1 ZINC000643518646 387652366 /nfs/dbraw/zinc/65/23/66/387652366.db2.gz HISGWUXGOIUMIX-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CCCNC2)C1 ZINC000643518645 387652790 /nfs/dbraw/zinc/65/27/90/387652790.db2.gz HISGWUXGOIUMIX-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCO1 ZINC000422748977 387654024 /nfs/dbraw/zinc/65/40/24/387654024.db2.gz WXQAPKIGNZUZBM-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000422748977 387654030 /nfs/dbraw/zinc/65/40/30/387654030.db2.gz WXQAPKIGNZUZBM-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CSCCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000422755587 387658810 /nfs/dbraw/zinc/65/88/10/387658810.db2.gz KRCOFPIPLFQBHE-UWVGGRQHSA-N 1 3 204.383 1.845 20 0 BDADHO CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000422752762 387659322 /nfs/dbraw/zinc/65/93/22/387659322.db2.gz DAOKOYMNBAUWAD-MVWJERBFSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ccccc1F ZINC000422757846 387660769 /nfs/dbraw/zinc/66/07/69/387660769.db2.gz NAYJHMGBSYNUMY-WDEREUQCSA-N 1 3 240.322 1.920 20 0 BDADHO CC(C)(O)CCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362861201 387665468 /nfs/dbraw/zinc/66/54/68/387665468.db2.gz XHJUDPNWEUOXFJ-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)(O)CC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000362861201 387665473 /nfs/dbraw/zinc/66/54/73/387665473.db2.gz XHJUDPNWEUOXFJ-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)(O)CC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000362861201 387665477 /nfs/dbraw/zinc/66/54/77/387665477.db2.gz XHJUDPNWEUOXFJ-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]([NH3+])CCNC(=O)[C@H](N)CC1CCCCC1 ZINC000422776579 387675723 /nfs/dbraw/zinc/67/57/23/387675723.db2.gz DADGQRHUHCIBCB-ZYHUDNBSSA-N 1 3 241.379 1.138 20 0 BDADHO CC(C)COCCC[NH2+][C@H](C)C[C@H](C)N ZINC000422778731 387677275 /nfs/dbraw/zinc/67/72/75/387677275.db2.gz DXPMSUSROBPTGF-NWDGAFQWSA-N 1 3 216.369 1.765 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422780917 387677599 /nfs/dbraw/zinc/67/75/99/387677599.db2.gz KZCATSBKKSOJKA-FRRDWIJNSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422782231 387680461 /nfs/dbraw/zinc/68/04/61/387680461.db2.gz JPLHJQIFPTWLDH-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000422783529 387682938 /nfs/dbraw/zinc/68/29/38/387682938.db2.gz OFQAFGBGCOVDOF-XQHKEYJVSA-N 1 3 225.380 1.057 20 0 BDADHO COC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C(C)C ZINC000126502720 387684918 /nfs/dbraw/zinc/68/49/18/387684918.db2.gz UXPOBKJQSAFYKD-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@@H](NC[C@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502720 387684923 /nfs/dbraw/zinc/68/49/23/387684923.db2.gz UXPOBKJQSAFYKD-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO CC(C)CCOCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422786825 387687776 /nfs/dbraw/zinc/68/77/76/387687776.db2.gz SYMOKIQIKZLDAU-VXGBXAGGSA-N 1 3 216.369 1.765 20 0 BDADHO CCCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422742932 387691265 /nfs/dbraw/zinc/69/12/65/387691265.db2.gz HHLLWBVXVHGDNQ-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCCC[C@@H]1C ZINC000422862914 387743184 /nfs/dbraw/zinc/74/31/84/387743184.db2.gz OECOOLQGXNDCLW-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCC[C@@H](C)C1 ZINC000422862915 387743695 /nfs/dbraw/zinc/74/36/95/387743695.db2.gz OFAPJCXSGMWNMR-AAVRWANBSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@@H]1CCCN(CCN[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422861986 387744203 /nfs/dbraw/zinc/74/42/03/387744203.db2.gz PGOBPEAJEDUIBY-RDBSUJKOSA-N 1 3 239.407 1.435 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCC[C@H](C)C1 ZINC000422868275 387750991 /nfs/dbraw/zinc/75/09/91/387750991.db2.gz UTCMOWBVFJMMON-AVGNSLFASA-N 1 3 227.396 1.434 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@]1(C)CCCS1 ZINC000422872446 387752882 /nfs/dbraw/zinc/75/28/82/387752882.db2.gz HEAXUTXAGSMDHA-IJLUTSLNSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](NCCCOc1ccccc1)C1C[NH2+]C1 ZINC000422793800 387696784 /nfs/dbraw/zinc/69/67/84/387696784.db2.gz SUMXKHONYFGKEY-LBPRGKRZSA-N 1 3 234.343 1.653 20 0 BDADHO C[C@H]([NH2+]CCCOc1ccccc1)C1CNC1 ZINC000422793800 387696788 /nfs/dbraw/zinc/69/67/88/387696788.db2.gz SUMXKHONYFGKEY-LBPRGKRZSA-N 1 3 234.343 1.653 20 0 BDADHO C[C@@H](NCCc1ccsc1)C1C[NH2+]C1 ZINC000422801345 387702865 /nfs/dbraw/zinc/70/28/65/387702865.db2.gz BTJXMIPDAAEDGL-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO C[C@@H]([NH2+]CCc1ccsc1)C1CNC1 ZINC000422801345 387702870 /nfs/dbraw/zinc/70/28/70/387702870.db2.gz BTJXMIPDAAEDGL-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCCCC1 ZINC000422809352 387707064 /nfs/dbraw/zinc/70/70/64/387707064.db2.gz MBRVFQZBBVRSQQ-KBPBESRZSA-N 1 3 239.407 1.450 20 0 BDADHO CCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCOCC1 ZINC000422814019 387711891 /nfs/dbraw/zinc/71/18/91/387711891.db2.gz SWZHMVSNBICBQA-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000422812824 387712438 /nfs/dbraw/zinc/71/24/38/387712438.db2.gz RBGZPTZLSXAPEW-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000422817005 387714819 /nfs/dbraw/zinc/71/48/19/387714819.db2.gz BYOWSWOYKPKSST-CYDGBPFRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(C)CCCC[C@@H]1O ZINC000422817005 387714823 /nfs/dbraw/zinc/71/48/23/387714823.db2.gz BYOWSWOYKPKSST-CYDGBPFRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](NCC1(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422815347 387715289 /nfs/dbraw/zinc/71/52/89/387715289.db2.gz XLDVCJXSKUIQNL-LBPRGKRZSA-N 1 3 230.355 1.916 20 0 BDADHO C[C@H]([NH2+]CC1(c2ccccc2)CC1)C1CNC1 ZINC000422815347 387715294 /nfs/dbraw/zinc/71/52/94/387715294.db2.gz XLDVCJXSKUIQNL-LBPRGKRZSA-N 1 3 230.355 1.916 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNCC1 ZINC000643521783 387716220 /nfs/dbraw/zinc/71/62/20/387716220.db2.gz BNGGJORYQXSYBG-MELADBBJSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)C[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000422820791 387716984 /nfs/dbraw/zinc/71/69/84/387716984.db2.gz SFYWYZNACNKXAQ-FRRDWIJNSA-N 1 3 229.412 1.678 20 0 BDADHO C[C@H](NC[C@@]1(C)CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000422818698 387718689 /nfs/dbraw/zinc/71/86/89/387718689.db2.gz GXFFTKIMJFPOLM-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)C1CNC1 ZINC000422818698 387718695 /nfs/dbraw/zinc/71/86/95/387718695.db2.gz GXFFTKIMJFPOLM-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO COC1CCC(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000422841722 387731087 /nfs/dbraw/zinc/73/10/87/387731087.db2.gz WRSWCUZNNIEZQX-ZSVAQUKISA-N 1 3 228.380 1.907 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128069131 387734012 /nfs/dbraw/zinc/73/40/12/387734012.db2.gz BAVRBHCOWLQPJT-BFHYXJOUSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCO1 ZINC000128069131 387734020 /nfs/dbraw/zinc/73/40/20/387734020.db2.gz BAVRBHCOWLQPJT-BFHYXJOUSA-N 1 3 238.375 1.772 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCNCC[C@H]2C)C1(C)C ZINC000422849385 387734757 /nfs/dbraw/zinc/73/47/57/387734757.db2.gz LTTRTUCAXRRJHO-MROQNXINSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1C1CC1 ZINC000422858609 387739872 /nfs/dbraw/zinc/73/98/72/387739872.db2.gz GPZVDXRVTLXRIV-MWWBDVBNSA-N 1 3 249.402 1.484 20 0 BDADHO C[C@H](N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000643527926 387762709 /nfs/dbraw/zinc/76/27/09/387762709.db2.gz VRVRVUVNEUDXDE-GWCFXTLKSA-N 1 3 219.332 1.860 20 0 BDADHO CC(C)CO[C@@H]1C[C@@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527521 387766662 /nfs/dbraw/zinc/76/66/62/387766662.db2.gz NWPUWFPYVHMYCU-QJPTWQEYSA-N 1 3 228.380 1.763 20 0 BDADHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000643528221 387767550 /nfs/dbraw/zinc/76/75/50/387767550.db2.gz FPEXICQXYGSMJY-ZJUUUORDSA-N 1 3 247.342 1.569 20 0 BDADHO CCN1CCCC[C@H]1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422909507 387768948 /nfs/dbraw/zinc/76/89/48/387768948.db2.gz OEZNWYRHNOBTCS-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422916164 387773664 /nfs/dbraw/zinc/77/36/64/387773664.db2.gz CNRMXAMKIBDUBV-SDDRHHMPSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)C1CNC1 ZINC000422921239 387775731 /nfs/dbraw/zinc/77/57/31/387775731.db2.gz PGWGXHMGTQXPPF-DYEKYZERSA-N 1 3 240.391 1.635 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000422920231 387776028 /nfs/dbraw/zinc/77/60/28/387776028.db2.gz LZCYFABOSPRDJU-OUAUKWLOSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCSC1 ZINC000422920231 387776031 /nfs/dbraw/zinc/77/60/31/387776031.db2.gz LZCYFABOSPRDJU-OUAUKWLOSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@H]([NH3+])CN[C@H]1CCCc2ccccc2C1 ZINC000643529675 387776896 /nfs/dbraw/zinc/77/68/96/387776896.db2.gz LPWGKVHBZXPBJV-FZMZJTMJSA-N 1 3 218.344 1.871 20 0 BDADHO Cc1ccncc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130516784 387782523 /nfs/dbraw/zinc/78/25/23/387782523.db2.gz CKRMYMMEBZFVAF-CFVMTHIKSA-N 1 3 245.370 1.949 20 0 BDADHO CCC1(CC)[C@H]([NH2+]C2CCNCC2)C[C@H]1OC ZINC000422934877 387783085 /nfs/dbraw/zinc/78/30/85/387783085.db2.gz GOQKXDNMOALMKY-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO CCC1(CC)[C@H](NC2CC[NH2+]CC2)C[C@H]1OC ZINC000422934877 387783090 /nfs/dbraw/zinc/78/30/90/387783090.db2.gz GOQKXDNMOALMKY-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCSCCCO ZINC000422981245 387791571 /nfs/dbraw/zinc/79/15/71/387791571.db2.gz SJNBOTRAXCGDLB-NWDGAFQWSA-N 1 3 246.420 1.080 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCSCCCO ZINC000422981245 387791577 /nfs/dbraw/zinc/79/15/77/387791577.db2.gz SJNBOTRAXCGDLB-NWDGAFQWSA-N 1 3 246.420 1.080 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422980547 387791916 /nfs/dbraw/zinc/79/19/16/387791916.db2.gz QINNTZBMFTUPEA-MNOVXSKESA-N 1 3 234.343 1.521 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000422980547 387791920 /nfs/dbraw/zinc/79/19/20/387791920.db2.gz QINNTZBMFTUPEA-MNOVXSKESA-N 1 3 234.343 1.521 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c(c1)COC2 ZINC000422986709 387796314 /nfs/dbraw/zinc/79/63/14/387796314.db2.gz DHFVPIVKGNPQPR-GHMZBOCLSA-N 1 3 234.343 1.932 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(O)cc1 ZINC000422985284 387796793 /nfs/dbraw/zinc/79/67/93/387796793.db2.gz CYPHNEQCSYXBDR-GHMZBOCLSA-N 1 3 222.332 1.650 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000422985284 387796797 /nfs/dbraw/zinc/79/67/97/387796797.db2.gz CYPHNEQCSYXBDR-GHMZBOCLSA-N 1 3 222.332 1.650 20 0 BDADHO C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)C1CNC1 ZINC000422991347 387800336 /nfs/dbraw/zinc/80/03/36/387800336.db2.gz PKSRSMBXXVCDTE-OBJOEFQTSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](CO)c1ccccc1 ZINC000422990084 387801095 /nfs/dbraw/zinc/80/10/95/387801095.db2.gz BMLJZXDLNDJQGA-SCRDCRAPSA-N 1 3 236.359 1.478 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000422990084 387801096 /nfs/dbraw/zinc/80/10/96/387801096.db2.gz BMLJZXDLNDJQGA-SCRDCRAPSA-N 1 3 236.359 1.478 20 0 BDADHO CCOCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222050390 387802860 /nfs/dbraw/zinc/80/28/60/387802860.db2.gz DDNDQPWXNGZRSK-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO CCOCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222050390 387802864 /nfs/dbraw/zinc/80/28/64/387802864.db2.gz DDNDQPWXNGZRSK-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000423002233 387806955 /nfs/dbraw/zinc/80/69/55/387806955.db2.gz YOZKAPMATMVCAO-JSGCOSHPSA-N 1 3 233.359 1.731 20 0 BDADHO C[C@@H]1[C@H](C)N(CC[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000356968009 387757627 /nfs/dbraw/zinc/75/76/27/387757627.db2.gz AUUAIVGEVCUQSH-RDBSUJKOSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1[C@H](C)N(CC[C@@H]2CCC[N@H+]2C)CCN1C ZINC000356968009 387757632 /nfs/dbraw/zinc/75/76/32/387757632.db2.gz AUUAIVGEVCUQSH-RDBSUJKOSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H]2OCC[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000422887638 387760001 /nfs/dbraw/zinc/76/00/01/387760001.db2.gz LDBZJGHUGZUBTD-YHQUGGNUSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@@H]1CCCN1 ZINC000422887638 387760007 /nfs/dbraw/zinc/76/00/07/387760007.db2.gz LDBZJGHUGZUBTD-YHQUGGNUSA-N 1 3 238.375 1.674 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422972837 387821486 /nfs/dbraw/zinc/82/14/86/387821486.db2.gz ANCDVHPXCVJNHB-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422972837 387821489 /nfs/dbraw/zinc/82/14/89/387821489.db2.gz ANCDVHPXCVJNHB-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000423004023 387827050 /nfs/dbraw/zinc/82/70/50/387827050.db2.gz OCCVVRQQHRAEDR-QWHCGFSZSA-N 1 3 240.391 1.910 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423007666 387828235 /nfs/dbraw/zinc/82/82/35/387828235.db2.gz YFLJVJHNPTWCID-UTUOFQBUSA-N 1 3 228.380 1.499 20 0 BDADHO CCOCCC1(C[NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000423005783 387828812 /nfs/dbraw/zinc/82/88/12/387828812.db2.gz STLHZIDUAAQMNU-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@](O)(CN[C@@H]1CCC[C@@H]1C[NH3+])C(F)(F)F ZINC000423011334 387833625 /nfs/dbraw/zinc/83/36/25/387833625.db2.gz IQIOMKMACSITBD-HLTSFMKQSA-N 1 3 240.269 1.017 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(CO)CC1 ZINC000643459234 387836425 /nfs/dbraw/zinc/83/64/25/387836425.db2.gz AOYXMERDMBDUFJ-GXTWGEPZSA-N 1 3 248.370 1.307 20 0 BDADHO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423013774 387836651 /nfs/dbraw/zinc/83/66/51/387836651.db2.gz GRGAIKQMQUPUJV-WRWGMCAJSA-N 1 3 214.353 1.517 20 0 BDADHO CC[C@@H](NCC1(C)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000423025053 387843405 /nfs/dbraw/zinc/84/34/05/387843405.db2.gz NILZYFXEQJCEFA-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]([NH2+]CC1(C)CCOCC1)[C@@H]1CCCN1 ZINC000423025053 387843407 /nfs/dbraw/zinc/84/34/07/387843407.db2.gz NILZYFXEQJCEFA-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(C)C[C@@H]1N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423027736 387844051 /nfs/dbraw/zinc/84/40/51/387844051.db2.gz POQFPFSOLGINEF-RVMXOQNASA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2CN)CCO1 ZINC000423030452 387845119 /nfs/dbraw/zinc/84/51/19/387845119.db2.gz JUVSESYGVVNYLC-SYQHCUMBSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000423031534 387845310 /nfs/dbraw/zinc/84/53/10/387845310.db2.gz LGIRFAKMHDCHKU-AGIUHOORSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423032740 387848853 /nfs/dbraw/zinc/84/88/53/387848853.db2.gz NBGCKNMQVKTMKI-ZDEQEGDKSA-N 1 3 225.380 1.199 20 0 BDADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](N)c1ccccc1 ZINC000433171290 387850377 /nfs/dbraw/zinc/85/03/77/387850377.db2.gz DAPPODIJAFYCAR-CHWSQXEVSA-N 1 3 249.358 1.034 20 0 BDADHO CC1=CCN(CC[NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000423039797 387853060 /nfs/dbraw/zinc/85/30/60/387853060.db2.gz RRKRPCLMBKIGJB-UONOGXRCSA-N 1 3 237.391 1.226 20 0 BDADHO CCC(CC)(CN[C@@H]1CCC[C@H]1[NH3+])C(=O)OC ZINC000423038463 387853080 /nfs/dbraw/zinc/85/30/80/387853080.db2.gz OKBJYIHGIQMTBF-GHMZBOCLSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000423038992 387853221 /nfs/dbraw/zinc/85/32/21/387853221.db2.gz ZOWPVBHBJRPPGV-NEPJUHHUSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(CO)CCC1 ZINC000423038992 387853225 /nfs/dbraw/zinc/85/32/25/387853225.db2.gz ZOWPVBHBJRPPGV-NEPJUHHUSA-N 1 3 226.364 1.127 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCc3ccccc3)C[C@H]2C1 ZINC000193612876 387857459 /nfs/dbraw/zinc/85/74/59/387857459.db2.gz DBDCOPHJWAXIKW-GASCZTMLSA-N 1 3 230.355 1.723 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCc3ccccc3)C[C@H]2C1 ZINC000193612876 387857464 /nfs/dbraw/zinc/85/74/64/387857464.db2.gz DBDCOPHJWAXIKW-GASCZTMLSA-N 1 3 230.355 1.723 20 0 BDADHO CC[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cnn(C)c1 ZINC000643535054 387861447 /nfs/dbraw/zinc/86/14/47/387861447.db2.gz IIIWZNNVLWEKTH-OLZOCXBDSA-N 1 3 248.374 1.603 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCC1(CO)CCCC1 ZINC000423054169 387863253 /nfs/dbraw/zinc/86/32/53/387863253.db2.gz UACXRYIBCAFPIW-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)O ZINC000423064114 387866677 /nfs/dbraw/zinc/86/66/77/387866677.db2.gz QLWBGTGPLRCGTC-MNOVXSKESA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCC(C)(C)O ZINC000423064114 387866683 /nfs/dbraw/zinc/86/66/83/387866683.db2.gz QLWBGTGPLRCGTC-MNOVXSKESA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(N(C)C)CCC1 ZINC000423063194 387866732 /nfs/dbraw/zinc/86/67/32/387866732.db2.gz VXVFOPFWRJGLMK-NEPJUHHUSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCCN1C1CC1 ZINC000423071862 387871971 /nfs/dbraw/zinc/87/19/71/387871971.db2.gz GCNVRHCNGMCGJL-OUCADQQQSA-N 1 3 239.407 1.719 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527974815 387813824 /nfs/dbraw/zinc/81/38/24/387813824.db2.gz PLNMPGXTBXXCCO-FQUUOJAGSA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000527974815 387813829 /nfs/dbraw/zinc/81/38/29/387813829.db2.gz PLNMPGXTBXXCCO-FQUUOJAGSA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000527974817 387813846 /nfs/dbraw/zinc/81/38/46/387813846.db2.gz PLNMPGXTBXXCCO-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000527974817 387813849 /nfs/dbraw/zinc/81/38/49/387813849.db2.gz PLNMPGXTBXXCCO-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964888 387814080 /nfs/dbraw/zinc/81/40/80/387814080.db2.gz MYWUHQHYJYPNBQ-MELADBBJSA-N 1 3 239.407 1.591 20 0 BDADHO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)c1ccco1 ZINC000422963079 387814536 /nfs/dbraw/zinc/81/45/36/387814536.db2.gz HJWWGNGABMDPEG-IJLUTSLNSA-N 1 3 237.347 1.352 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccccc1O ZINC000422967224 387816204 /nfs/dbraw/zinc/81/62/04/387816204.db2.gz BSSWQIHBADUVSM-TZMCWYRMSA-N 1 3 248.370 1.912 20 0 BDADHO C[C@H]([NH3+])CN[C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000442667183 387818522 /nfs/dbraw/zinc/81/85/22/387818522.db2.gz VUUQCSVWFATPPV-GMXVVIOVSA-N 1 3 228.380 1.501 20 0 BDADHO C[C@H](NC[C@@H]1CCOC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423109692 387894464 /nfs/dbraw/zinc/89/44/64/387894464.db2.gz NZXIYQRIBCLMJB-MROQNXINSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@H]1CCCN1 ZINC000423109692 387894467 /nfs/dbraw/zinc/89/44/67/387894467.db2.gz NZXIYQRIBCLMJB-MROQNXINSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](CC[NH2+][C@H](C)C[C@@H](C)N)C(F)(F)F ZINC000423076596 387875777 /nfs/dbraw/zinc/87/57/77/387875777.db2.gz ZJBXFETUMAQFDP-IWSPIJDZSA-N 1 3 242.285 1.669 20 0 BDADHO CCOC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000423076431 387876620 /nfs/dbraw/zinc/87/66/20/387876620.db2.gz ZECDIXCOFSMUQU-PIGZVRMJSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCC1(CO)CC2(CCC2)C1 ZINC000423082956 387877733 /nfs/dbraw/zinc/87/77/33/387877733.db2.gz FXUSVUUCFTWQJM-NEPJUHHUSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082956 387877736 /nfs/dbraw/zinc/87/77/36/387877736.db2.gz FXUSVUUCFTWQJM-NEPJUHHUSA-N 1 3 240.391 1.645 20 0 BDADHO CSC1(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000423086636 387881695 /nfs/dbraw/zinc/88/16/95/387881695.db2.gz MJFDWVZGOWSPQG-DTWKUNHWSA-N 1 3 202.367 1.597 20 0 BDADHO CSC1(CN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000423086636 387881702 /nfs/dbraw/zinc/88/17/02/387881702.db2.gz MJFDWVZGOWSPQG-DTWKUNHWSA-N 1 3 202.367 1.597 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CC=CCC1 ZINC000423092567 387882677 /nfs/dbraw/zinc/88/26/77/387882677.db2.gz CKECKUNGSWDBOS-KBPBESRZSA-N 1 3 237.391 1.498 20 0 BDADHO COC1CCC(C)(C[NH2+][C@H]2CCNC2)CC1 ZINC000423090258 387882758 /nfs/dbraw/zinc/88/27/58/387882758.db2.gz XAXPIZAGZPVZGM-HIFPTAJRSA-N 1 3 226.364 1.533 20 0 BDADHO CCn1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1=O ZINC000423090170 387883128 /nfs/dbraw/zinc/88/31/28/387883128.db2.gz USCBETJXRPTXPS-WCQYABFASA-N 1 3 249.358 1.085 20 0 BDADHO C[C@@H](N[C@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093822 387885528 /nfs/dbraw/zinc/88/55/28/387885528.db2.gz INTOZAAKNCDXLN-PWSUYJOCSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)C1CNC1 ZINC000423093822 387885531 /nfs/dbraw/zinc/88/55/31/387885531.db2.gz INTOZAAKNCDXLN-PWSUYJOCSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423099027 387887783 /nfs/dbraw/zinc/88/77/83/387887783.db2.gz ABHOXLUJXYFAHI-FRRDWIJNSA-N 1 3 228.380 1.229 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CN ZINC000423101413 387888686 /nfs/dbraw/zinc/88/86/86/387888686.db2.gz CWINPDHIWIHZCO-XQHKEYJVSA-N 1 3 226.364 1.376 20 0 BDADHO Cc1cccc2c1OC[C@H]([NH2+][C@H]1CCC[C@H]1N)C2 ZINC000423140343 387918723 /nfs/dbraw/zinc/91/87/23/387918723.db2.gz MNMYBLFSAITFJY-MCIONIFRSA-N 1 3 246.354 1.768 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000423119578 387900651 /nfs/dbraw/zinc/90/06/51/387900651.db2.gz DYXZRWGYTRIOTO-DCAQKATOSA-N 1 3 216.394 1.845 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423124767 387903658 /nfs/dbraw/zinc/90/36/58/387903658.db2.gz PBLHHJREWYEKDL-MNOVXSKESA-N 1 3 216.369 1.765 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000423127281 387905767 /nfs/dbraw/zinc/90/57/67/387905767.db2.gz PDYUPKCQRXAKHO-RFQIPJPRSA-N 1 3 240.391 1.502 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000423132806 387909229 /nfs/dbraw/zinc/90/92/29/387909229.db2.gz UYEUDUSAUCFYEM-GRYCIOLGSA-N 1 3 212.337 1.273 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000423132807 387910440 /nfs/dbraw/zinc/91/04/40/387910440.db2.gz UYEUDUSAUCFYEM-WOPDTQHZSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000423133415 387911681 /nfs/dbraw/zinc/91/16/81/387911681.db2.gz KIQWJEVQDUQLIM-OBJOEFQTSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](CO)C1CCCCC1 ZINC000423133415 387911683 /nfs/dbraw/zinc/91/16/83/387911683.db2.gz KIQWJEVQDUQLIM-OBJOEFQTSA-N 1 3 242.407 1.891 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H](C)C[C@H](C)[NH3+])OC ZINC000423155053 387933676 /nfs/dbraw/zinc/93/36/76/387933676.db2.gz ISMSACMNQKXLFJ-YFKTTZPYSA-N 1 3 216.369 1.763 20 0 BDADHO CC(C)(O)C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423154818 387935189 /nfs/dbraw/zinc/93/51/89/387935189.db2.gz JYKLNERWFLICTN-FOSCPWQOSA-N 1 3 240.391 1.656 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCC1(CO)CCC1 ZINC000643480604 387935837 /nfs/dbraw/zinc/93/58/37/387935837.db2.gz FMTMABVEGOUUDD-RYUDHWBXSA-N 1 3 226.364 1.399 20 0 BDADHO C[C@@H](CCO)CCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148598 387927404 /nfs/dbraw/zinc/92/74/04/387927404.db2.gz WBZVPNXYIDESPT-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]([C@H]1CC[NH2+]C1)N1CCC[C@@]2(CCOC2)C1 ZINC000423167112 387953028 /nfs/dbraw/zinc/95/30/28/387953028.db2.gz WMKSVEHKIYIEAZ-HZSPNIEDSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000423169889 387955343 /nfs/dbraw/zinc/95/53/43/387955343.db2.gz WUZQVCCSKFIOEN-VKYHIEHISA-N 1 3 224.348 1.427 20 0 BDADHO CCN1CCC([NH2+]C[C@H]2CCCN(C)C2)CC1 ZINC000044535186 387937797 /nfs/dbraw/zinc/93/77/97/387937797.db2.gz FCVWTAXSTRILTK-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224625 387938169 /nfs/dbraw/zinc/93/81/69/387938169.db2.gz OECOGFRKFQEZKO-GWCFXTLKSA-N 1 3 249.358 1.766 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423159286 387938229 /nfs/dbraw/zinc/93/82/29/387938229.db2.gz FPUABAIRCIDWRU-XHJNMGKDSA-N 1 3 238.375 1.410 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000423160489 387940931 /nfs/dbraw/zinc/94/09/31/387940931.db2.gz HLZRYGDGBXNRJV-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423160489 387940934 /nfs/dbraw/zinc/94/09/34/387940934.db2.gz HLZRYGDGBXNRJV-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000424235809 387941703 /nfs/dbraw/zinc/94/17/03/387941703.db2.gz IJRSVEZSWNJGSO-SNVBAGLBSA-N 1 3 235.331 1.520 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000423160023 387942199 /nfs/dbraw/zinc/94/21/99/387942199.db2.gz QHNVXTRJGNNUSU-NEPJUHHUSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000423162385 387943487 /nfs/dbraw/zinc/94/34/87/387943487.db2.gz KXZTYCDMXMFVCE-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)O1 ZINC000423162385 387943492 /nfs/dbraw/zinc/94/34/92/387943492.db2.gz KXZTYCDMXMFVCE-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](NCC(C)(C)C1(O)CCCC1)C1C[NH2+]C1 ZINC000423166227 387950710 /nfs/dbraw/zinc/95/07/10/387950710.db2.gz QYPBGKAWRFKBFJ-LLVKDONJSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)C1CNC1 ZINC000423166227 387950712 /nfs/dbraw/zinc/95/07/12/387950712.db2.gz QYPBGKAWRFKBFJ-LLVKDONJSA-N 1 3 240.391 1.515 20 0 BDADHO COc1cccnc1CNC1CCC(C[NH3+])CC1 ZINC000423170979 387957882 /nfs/dbraw/zinc/95/78/82/387957882.db2.gz ZEXDNZOIDFHCJZ-UHFFFAOYSA-N 1 3 249.358 1.697 20 0 BDADHO CO[C@@H](C)[C@H](C)NCC1([NH3+])CCCCC1 ZINC000423181320 387968595 /nfs/dbraw/zinc/96/85/95/387968595.db2.gz OTZNMYMLNNLEOK-QWRGUYRKSA-N 1 3 214.353 1.661 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423181320 387968597 /nfs/dbraw/zinc/96/85/97/387968597.db2.gz OTZNMYMLNNLEOK-QWRGUYRKSA-N 1 3 214.353 1.661 20 0 BDADHO CO[C@@H](c1ccccc1)[C@H](C)NCCC[NH3+] ZINC000423183825 387970472 /nfs/dbraw/zinc/97/04/72/387970472.db2.gz HWDZNGNJJCWFQO-WCQYABFASA-N 1 3 222.332 1.701 20 0 BDADHO CCCCO[C@@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000423186060 387971381 /nfs/dbraw/zinc/97/13/81/387971381.db2.gz JWWRLUOHYKBDME-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO CCCCO[C@@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000423186060 387971386 /nfs/dbraw/zinc/97/13/86/387971386.db2.gz JWWRLUOHYKBDME-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO CC(C)[C@H](COCc1ccccc1)NCC[NH3+] ZINC000423194677 387979505 /nfs/dbraw/zinc/97/95/05/387979505.db2.gz YETWNMFIKAAUCV-AWEZNQCLSA-N 1 3 236.359 1.776 20 0 BDADHO CC(=O)Nc1ccc([C@@H](C)NCCC[NH3+])cc1 ZINC000423194832 387979528 /nfs/dbraw/zinc/97/95/28/387979528.db2.gz RTPZOTGKAZRBKG-SNVBAGLBSA-N 1 3 235.331 1.644 20 0 BDADHO CCC1(CC)[C@H]([NH2+]CCCN)C[C@H]1OC ZINC000423190020 387974083 /nfs/dbraw/zinc/97/40/83/387974083.db2.gz NESLCJZIGLHLHK-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO CCC1(CC)[C@H](NCCC[NH3+])C[C@H]1OC ZINC000423190020 387974088 /nfs/dbraw/zinc/97/40/88/387974088.db2.gz NESLCJZIGLHLHK-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO CNCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000423201880 387987830 /nfs/dbraw/zinc/98/78/30/387987830.db2.gz QDHQMUUKDWJCNB-CYBMUJFWSA-N 1 3 235.375 1.992 20 0 BDADHO [NH3+]CCCN[C@H](c1cccnc1)C1CCC1 ZINC000423196074 387982641 /nfs/dbraw/zinc/98/26/41/387982641.db2.gz UQEHDPCIXVSFOZ-ZDUSSCGKSA-N 1 3 219.332 1.861 20 0 BDADHO C1CC1[C@H]([NH2+][C@@H]1CCNC1)C1CCCC1 ZINC000423213461 387996965 /nfs/dbraw/zinc/99/69/65/387996965.db2.gz LHQJLXAMYMAXEO-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO COCCCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000420406774 387999100 /nfs/dbraw/zinc/99/91/00/387999100.db2.gz NZAONISLAMLHRK-STQMWFEESA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000420406774 387999104 /nfs/dbraw/zinc/99/91/04/387999104.db2.gz NZAONISLAMLHRK-STQMWFEESA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420406774 387999107 /nfs/dbraw/zinc/99/91/07/387999107.db2.gz NZAONISLAMLHRK-STQMWFEESA-N 1 3 228.380 1.720 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000400554437 388025302 /nfs/dbraw/zinc/02/53/02/388025302.db2.gz PHWRKRNXRNUGQX-ZOBORPQBSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000400554437 388025304 /nfs/dbraw/zinc/02/53/04/388025304.db2.gz PHWRKRNXRNUGQX-ZOBORPQBSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000423227569 388011538 /nfs/dbraw/zinc/01/15/38/388011538.db2.gz WFOWKAMUCQZZTI-WUHRBBMRSA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+]CC[C@H]1CCCN(CCOCC(F)F)C1 ZINC000262068726 135114201 /nfs/dbraw/zinc/11/42/01/135114201.db2.gz BTPDSHHSUYENLY-SNVBAGLBSA-N 1 3 236.306 1.329 20 0 BDADHO CC[NH2+]CCN[C@H]1CCC[C@H]1COCC ZINC000423249846 388032208 /nfs/dbraw/zinc/03/22/08/388032208.db2.gz SOKKUEOFNYBSAY-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000423255960 388037634 /nfs/dbraw/zinc/03/76/34/388037634.db2.gz BBFUDAZJYOXTMN-XQQFMLRXSA-N 1 3 228.380 1.637 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000423286852 388070401 /nfs/dbraw/zinc/07/04/01/388070401.db2.gz JCUHDZSZNOJJBW-QWRGUYRKSA-N 1 3 214.353 1.661 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H](C)[C@@H]1CCCO1 ZINC000423286852 388070403 /nfs/dbraw/zinc/07/04/03/388070403.db2.gz JCUHDZSZNOJJBW-QWRGUYRKSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@H]([NH2+]CC(C)(C)N)c1cccc(CO)c1 ZINC000423287625 388072685 /nfs/dbraw/zinc/07/26/85/388072685.db2.gz NMLVIDNDOQRHAG-JTQLQIEISA-N 1 3 222.332 1.567 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000423296964 388078472 /nfs/dbraw/zinc/07/84/72/388078472.db2.gz ICOJFBMLOXDIKI-REWJHTLYSA-N 1 3 241.423 1.822 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2ccncc2)CC1 ZINC000084691193 388080518 /nfs/dbraw/zinc/08/05/18/388080518.db2.gz MSCBFIKXWDMHHB-NSHDSACASA-N 1 3 219.332 1.641 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H]1CCc2ccccc2OC1 ZINC000423270718 388049483 /nfs/dbraw/zinc/04/94/83/388049483.db2.gz IFVZBQACWNVPPJ-JSGCOSHPSA-N 1 3 248.370 1.825 20 0 BDADHO CC[N@@H+]1CC[C@H](NCC2=CCOCC2)[C@H](C)C1 ZINC000449402678 388195484 /nfs/dbraw/zinc/19/54/84/388195484.db2.gz MOBHNKIDYYSXRD-OCCSQVGLSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@H](NCC2=CCOCC2)[C@H](C)C1 ZINC000449402678 388195485 /nfs/dbraw/zinc/19/54/85/388195485.db2.gz MOBHNKIDYYSXRD-OCCSQVGLSA-N 1 3 238.375 1.653 20 0 BDADHO CC[C@@H](C(=O)N[C@H](C)CCC[NH3+])N(CC)CC ZINC000449572515 388235885 /nfs/dbraw/zinc/23/58/85/388235885.db2.gz NGXYGVADBFAUEK-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000449597077 388239313 /nfs/dbraw/zinc/23/93/13/388239313.db2.gz YQEBIFGUYBKMOU-ZPFDUUQYSA-N 1 3 249.358 1.174 20 0 BDADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000261529456 135156140 /nfs/dbraw/zinc/15/61/40/135156140.db2.gz SGJATRYICFSJCS-OUAUKWLOSA-N 1 3 214.378 1.470 20 0 BDADHO C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCCSC1 ZINC000261529456 135156142 /nfs/dbraw/zinc/15/61/42/135156142.db2.gz SGJATRYICFSJCS-OUAUKWLOSA-N 1 3 214.378 1.470 20 0 BDADHO CCC1(C[NH2+]C[C@H](C)CN(C)C)CCOCC1 ZINC000491588493 388304391 /nfs/dbraw/zinc/30/43/91/388304391.db2.gz IWSSSKGJAWQGDQ-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO CC(C)[C@]1(C)C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000397217743 388342756 /nfs/dbraw/zinc/34/27/56/388342756.db2.gz DDWHWIYCAJQPKU-MCIONIFRSA-N 1 3 240.391 1.467 20 0 BDADHO Cn1ncc(Cl)c1CNCCCC[NH+](C)C ZINC000275642824 388344920 /nfs/dbraw/zinc/34/49/20/388344920.db2.gz VLWBSMITUNUGHZ-UHFFFAOYSA-N 1 3 244.770 1.505 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000568532395 388356008 /nfs/dbraw/zinc/35/60/08/388356008.db2.gz GMVIVNNCFXTANV-BNOWGMLFSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568532395 388356011 /nfs/dbraw/zinc/35/60/11/388356011.db2.gz GMVIVNNCFXTANV-BNOWGMLFSA-N 1 3 233.359 1.872 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC[C@@H]1CCOC1 ZINC000235395016 388368294 /nfs/dbraw/zinc/36/82/94/388368294.db2.gz DLPNGUFMUNWONJ-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC[C@@H]1CCOC1 ZINC000235395016 388368297 /nfs/dbraw/zinc/36/82/97/388368297.db2.gz DLPNGUFMUNWONJ-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC[C@@H]1CCOC1 ZINC000235395016 388368298 /nfs/dbraw/zinc/36/82/98/388368298.db2.gz DLPNGUFMUNWONJ-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000164059931 388373832 /nfs/dbraw/zinc/37/38/32/388373832.db2.gz HFMARUPKSYSHEC-BFHYXJOUSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@]1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCCS1 ZINC000327525469 388376900 /nfs/dbraw/zinc/37/69/00/388376900.db2.gz TYBHJMRVQKNIDG-GRYCIOLGSA-N 1 3 226.389 1.423 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOCC1CC1 ZINC000236176836 388378057 /nfs/dbraw/zinc/37/80/57/388378057.db2.gz GMWSAGRMXLCSMO-RYUDHWBXSA-N 1 3 212.337 1.130 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000236176836 388378060 /nfs/dbraw/zinc/37/80/60/388378060.db2.gz GMWSAGRMXLCSMO-RYUDHWBXSA-N 1 3 212.337 1.130 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000236212553 388378286 /nfs/dbraw/zinc/37/82/86/388378286.db2.gz PGPCVGYIHMNPRY-PWSUYJOCSA-N 1 3 208.349 1.894 20 0 BDADHO NCc1cccc(NC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000646579179 388388709 /nfs/dbraw/zinc/38/87/09/388388709.db2.gz UAJGXECNFFMFQV-NSHDSACASA-N 1 3 247.342 1.474 20 0 BDADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN)c1 ZINC000646578994 388388949 /nfs/dbraw/zinc/38/89/49/388388949.db2.gz MVWDSPPJISVZNJ-SKDRFNHKSA-N 1 3 233.315 1.082 20 0 BDADHO NC[C@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965009 388395618 /nfs/dbraw/zinc/39/56/18/388395618.db2.gz PYNJJRIFSKPJHT-VHSXEESVSA-N 1 3 218.291 1.702 20 0 BDADHO NC[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000300965009 388395619 /nfs/dbraw/zinc/39/56/19/388395619.db2.gz PYNJJRIFSKPJHT-VHSXEESVSA-N 1 3 218.291 1.702 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@H]2CCC(F)(F)C2)C1 ZINC000300965009 388395622 /nfs/dbraw/zinc/39/56/22/388395622.db2.gz PYNJJRIFSKPJHT-VHSXEESVSA-N 1 3 218.291 1.702 20 0 BDADHO NC[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965010 388396124 /nfs/dbraw/zinc/39/61/24/388396124.db2.gz PYNJJRIFSKPJHT-ZJUUUORDSA-N 1 3 218.291 1.702 20 0 BDADHO NC[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965010 388396126 /nfs/dbraw/zinc/39/61/26/388396126.db2.gz PYNJJRIFSKPJHT-ZJUUUORDSA-N 1 3 218.291 1.702 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@@H]2CCC(F)(F)C2)C1 ZINC000300965010 388396127 /nfs/dbraw/zinc/39/61/27/388396127.db2.gz PYNJJRIFSKPJHT-ZJUUUORDSA-N 1 3 218.291 1.702 20 0 BDADHO O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825886 388402713 /nfs/dbraw/zinc/40/27/13/388402713.db2.gz ZKZYZLBHTXXBIZ-BFHYXJOUSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000315825886 388402714 /nfs/dbraw/zinc/40/27/14/388402714.db2.gz ZKZYZLBHTXXBIZ-BFHYXJOUSA-N 1 3 238.375 1.364 20 0 BDADHO CO[C@H](C)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322737758 388445399 /nfs/dbraw/zinc/44/53/99/388445399.db2.gz VXVREWIVHOAPEN-XQHREUISSA-N 1 3 226.364 1.625 20 0 BDADHO CO[C@H](C)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322737758 388445401 /nfs/dbraw/zinc/44/54/01/388445401.db2.gz VXVREWIVHOAPEN-XQHREUISSA-N 1 3 226.364 1.625 20 0 BDADHO CO[C@@H](C)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322737754 388445453 /nfs/dbraw/zinc/44/54/53/388445453.db2.gz VXVREWIVHOAPEN-KTCIRNNBSA-N 1 3 226.364 1.625 20 0 BDADHO CO[C@@H](C)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322737754 388445455 /nfs/dbraw/zinc/44/54/55/388445455.db2.gz VXVREWIVHOAPEN-KTCIRNNBSA-N 1 3 226.364 1.625 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2CO[C@@H](C)C2)CC1 ZINC000335426463 388450038 /nfs/dbraw/zinc/45/00/38/388450038.db2.gz WGXTVWAALREZMZ-AAEUAGOBSA-N 1 3 226.364 1.626 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336888322 388429551 /nfs/dbraw/zinc/42/95/51/388429551.db2.gz FFIIVFFWQNUEOZ-UPJWGTAASA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)OCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336888322 388429554 /nfs/dbraw/zinc/42/95/54/388429554.db2.gz FFIIVFFWQNUEOZ-UPJWGTAASA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000393428964 388429602 /nfs/dbraw/zinc/42/96/02/388429602.db2.gz RJMISIYQELZYAQ-RYUDHWBXSA-N 1 3 228.380 1.502 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213041 388432350 /nfs/dbraw/zinc/43/23/50/388432350.db2.gz TVNYUCQZQVWYAC-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213041 388432352 /nfs/dbraw/zinc/43/23/52/388432352.db2.gz TVNYUCQZQVWYAC-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](CC(C)C)C1 ZINC000573213041 388432353 /nfs/dbraw/zinc/43/23/53/388432353.db2.gz TVNYUCQZQVWYAC-ZIAGYGMSSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000520838201 388538613 /nfs/dbraw/zinc/53/86/13/388538613.db2.gz SWYVQKRQCYSHFQ-MELADBBJSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](CCO)CCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000397649297 388487322 /nfs/dbraw/zinc/48/73/22/388487322.db2.gz WBZVPNXYIDESPT-RWMBFGLXSA-N 1 3 228.380 1.515 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000311193495 388494684 /nfs/dbraw/zinc/49/46/84/388494684.db2.gz GUKGZGKJHHCMKM-QMTHXVAHSA-N 1 3 249.358 1.512 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000397802283 388500115 /nfs/dbraw/zinc/50/01/15/388500115.db2.gz CWPXIRJMHNUOLI-FRRDWIJNSA-N 1 3 239.407 1.399 20 0 BDADHO CC[C@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCOC1 ZINC000344330986 388506186 /nfs/dbraw/zinc/50/61/86/388506186.db2.gz OIQVDRRYAOOOLT-KBPBESRZSA-N 1 3 238.375 1.653 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCOC1 ZINC000246028901 388614659 /nfs/dbraw/zinc/61/46/59/388614659.db2.gz NIMMBYUPDUNYNV-WISYIIOYSA-N 1 3 212.337 1.094 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCOC1 ZINC000246028901 388614660 /nfs/dbraw/zinc/61/46/60/388614660.db2.gz NIMMBYUPDUNYNV-WISYIIOYSA-N 1 3 212.337 1.094 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)N(C)C1CC1 ZINC000361183620 388559705 /nfs/dbraw/zinc/55/97/05/388559705.db2.gz ZGMDOTDAWXQROL-DYEKYZERSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCN(C)C[C@H]2C)CC1 ZINC000252714350 388574730 /nfs/dbraw/zinc/57/47/30/388574730.db2.gz RTSHKKDBNHYXKO-OCCSQVGLSA-N 1 3 239.407 1.401 20 0 BDADHO Cc1ccsc1CN(C)CCOCC[NH3+] ZINC000261574165 135215781 /nfs/dbraw/zinc/21/57/81/135215781.db2.gz JEEGFYJHGJWEAY-UHFFFAOYSA-N 1 3 228.361 1.464 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(CCCCCO)C1 ZINC000081573045 388584418 /nfs/dbraw/zinc/58/44/18/388584418.db2.gz STASNNWNMKPHSB-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(CCCCCO)C1 ZINC000081573045 388584420 /nfs/dbraw/zinc/58/44/20/388584420.db2.gz STASNNWNMKPHSB-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CCCCCO)C1 ZINC000081573045 388584421 /nfs/dbraw/zinc/58/44/21/388584421.db2.gz STASNNWNMKPHSB-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CCCCCO)C1 ZINC000081573045 388584424 /nfs/dbraw/zinc/58/44/24/388584424.db2.gz STASNNWNMKPHSB-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCC[N@H+](C[C@@H](C)N)C[C@H]1CCCCO1 ZINC000261597454 135236739 /nfs/dbraw/zinc/23/67/39/135236739.db2.gz ZBOFNCOLHONRMP-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@@H+](C[C@@H](C)N)C[C@H]1CCCCO1 ZINC000261597454 135236741 /nfs/dbraw/zinc/23/67/41/135236741.db2.gz ZBOFNCOLHONRMP-VXGBXAGGSA-N 1 3 214.353 1.615 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CC[C@@H]2CCCO2)C1 ZINC000189307520 388630581 /nfs/dbraw/zinc/63/05/81/388630581.db2.gz MCBKVEJMAGFNAQ-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO Cc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1N ZINC000530222277 388632781 /nfs/dbraw/zinc/63/27/81/388632781.db2.gz GYSGQQAEDRCASB-CHWSQXEVSA-N 1 3 219.332 1.750 20 0 BDADHO C(CN1CCO[C@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000251086983 388641827 /nfs/dbraw/zinc/64/18/27/388641827.db2.gz HVSZJRVVXBQCTK-AGIUHOORSA-N 1 3 224.348 1.239 20 0 BDADHO CCOC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222990953 388647606 /nfs/dbraw/zinc/64/76/06/388647606.db2.gz UVQUYAJAHVVLPX-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000223055772 388648880 /nfs/dbraw/zinc/64/88/80/388648880.db2.gz WSXZCYPCPYIJKV-QWHCGFSZSA-N 1 3 227.396 1.256 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000246875870 388653954 /nfs/dbraw/zinc/65/39/54/388653954.db2.gz DSRUCNLBJNKYHG-SYQHCUMBSA-N 1 3 239.407 1.399 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H](C)COC)C1 ZINC000249849086 388734559 /nfs/dbraw/zinc/73/45/59/388734559.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 1 3 242.407 1.933 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C)COC)C1 ZINC000249849086 388734561 /nfs/dbraw/zinc/73/45/61/388734561.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000249849086 388734563 /nfs/dbraw/zinc/73/45/63/388734563.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000249849086 388734565 /nfs/dbraw/zinc/73/45/65/388734565.db2.gz OZZAPYVEVAEXSY-UONOGXRCSA-N 1 3 242.407 1.933 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2Cc3ccccc3O2)C1 ZINC000250843697 388741676 /nfs/dbraw/zinc/74/16/76/388741676.db2.gz HDFITYVMLGNJQM-MGPQQGTHSA-N 1 3 246.354 1.850 20 0 BDADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000249487512 388724824 /nfs/dbraw/zinc/72/48/24/388724824.db2.gz XKZRZIXKOGZODC-IJLUTSLNSA-N 1 3 246.420 1.125 20 0 BDADHO CSC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000249487512 388724825 /nfs/dbraw/zinc/72/48/25/388724825.db2.gz XKZRZIXKOGZODC-IJLUTSLNSA-N 1 3 246.420 1.125 20 0 BDADHO C(CN1CCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000540397745 388803981 /nfs/dbraw/zinc/80/39/81/388803981.db2.gz LMQMEDICHLVJMV-UHFFFAOYSA-N 1 3 237.391 1.156 20 0 BDADHO C(CN1CCC1)[NH2+]C1CCN(CC2CC2)CC1 ZINC000540397745 388803985 /nfs/dbraw/zinc/80/39/85/388803985.db2.gz LMQMEDICHLVJMV-UHFFFAOYSA-N 1 3 237.391 1.156 20 0 BDADHO CC[C@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000229967174 388807050 /nfs/dbraw/zinc/80/70/50/388807050.db2.gz NIPJNDAIYSSCEH-BIMULSAOSA-N 1 3 220.316 1.492 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@@H]2CCN(C)C2)CC1 ZINC000228757920 388821479 /nfs/dbraw/zinc/82/14/79/388821479.db2.gz WQUJYQLDJUORIL-CQSZACIVSA-N 1 3 239.407 1.401 20 0 BDADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(C)C2)CC1 ZINC000228757920 388821482 /nfs/dbraw/zinc/82/14/82/388821482.db2.gz WQUJYQLDJUORIL-CQSZACIVSA-N 1 3 239.407 1.401 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@]1(C)CO ZINC000554811768 388831012 /nfs/dbraw/zinc/83/10/12/388831012.db2.gz JORUGTUZYLEPRX-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@]1(C)CO ZINC000554811768 388831014 /nfs/dbraw/zinc/83/10/14/388831014.db2.gz JORUGTUZYLEPRX-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000565227245 388929624 /nfs/dbraw/zinc/92/96/24/388929624.db2.gz WWUUZMURQUTUOO-UPJWGTAASA-N 1 3 242.407 1.889 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565227245 388929627 /nfs/dbraw/zinc/92/96/27/388929627.db2.gz WWUUZMURQUTUOO-UPJWGTAASA-N 1 3 242.407 1.889 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000565718152 388966340 /nfs/dbraw/zinc/96/63/40/388966340.db2.gz HKONPHPLPALHIG-QJPTWQEYSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000565718152 388966338 /nfs/dbraw/zinc/96/63/38/388966338.db2.gz HKONPHPLPALHIG-QJPTWQEYSA-N 1 3 241.379 1.055 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000565775676 388968688 /nfs/dbraw/zinc/96/86/88/388968688.db2.gz NLOPNELJRSGHIW-PPCPHDFISA-N 1 3 244.354 1.609 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000565357496 388939499 /nfs/dbraw/zinc/93/94/99/388939499.db2.gz FUZQWJWGUWQYNM-CYZMBNFOSA-N 1 3 240.391 1.765 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000231347888 135596720 /nfs/dbraw/zinc/59/67/20/135596720.db2.gz ZDILWBHXJZHVMM-IVZWLZJFSA-N 1 3 200.351 1.209 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccnc1 ZINC000271491334 389021905 /nfs/dbraw/zinc/02/19/05/389021905.db2.gz FKXRFZZOBIJGKM-GFCCVEGCSA-N 1 3 249.358 1.189 20 0 BDADHO Cc1n[nH]c(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000271877673 389026762 /nfs/dbraw/zinc/02/67/62/389026762.db2.gz ZYKZBUDYLSOKJE-UHFFFAOYSA-N 1 3 234.347 1.378 20 0 BDADHO Cc1n[nH]c(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000271877673 389026767 /nfs/dbraw/zinc/02/67/67/389026767.db2.gz ZYKZBUDYLSOKJE-UHFFFAOYSA-N 1 3 234.347 1.378 20 0 BDADHO C[C@@H](NCCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272491243 389034315 /nfs/dbraw/zinc/03/43/15/389034315.db2.gz NBQBNOSYYBXPDO-UKRRQHHQSA-N 1 3 248.370 1.479 20 0 BDADHO C[C@@H](NCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272491243 389034320 /nfs/dbraw/zinc/03/43/20/389034320.db2.gz NBQBNOSYYBXPDO-UKRRQHHQSA-N 1 3 248.370 1.479 20 0 BDADHO C[C@@H](NCC1(N(C)C)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400502467 533360301 /nfs/dbraw/zinc/36/03/01/533360301.db2.gz CLFOGIFZAPOPJR-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H](CCCC[NH3+])NC(=O)C1(N)CCCCC1 ZINC000495172098 533531524 /nfs/dbraw/zinc/53/15/24/533531524.db2.gz YQCLRXRJIGHQDF-NSHDSACASA-N 1 3 241.379 1.282 20 0 BDADHO C[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000035602155 132338569 /nfs/dbraw/zinc/33/85/69/132338569.db2.gz SBLDSPCSHFGSMJ-NSHDSACASA-N 1 3 235.331 1.021 20 0 BDADHO COCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960340 132343014 /nfs/dbraw/zinc/34/30/14/132343014.db2.gz HPVCJFNVGJIXED-UHFFFAOYSA-N 1 3 249.358 1.677 20 0 BDADHO C[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1CN ZINC000253198899 133653584 /nfs/dbraw/zinc/65/35/84/133653584.db2.gz BBHURMWWUXPILH-DGCLKSJQSA-N 1 3 226.364 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](CC2CCOCC2)C[C@H]1CN ZINC000253198899 133653585 /nfs/dbraw/zinc/65/35/85/133653585.db2.gz BBHURMWWUXPILH-DGCLKSJQSA-N 1 3 226.364 1.330 20 0 BDADHO Cc1ncc(CN(C)CC2CC[NH+](C)CC2)cn1 ZINC000352015868 134036472 /nfs/dbraw/zinc/03/64/72/134036472.db2.gz SNKAEYNZGOBMSI-UHFFFAOYSA-N 1 3 248.374 1.559 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)C1CC1 ZINC000177302944 134299422 /nfs/dbraw/zinc/29/94/22/134299422.db2.gz JSQQLKNZPOZIKC-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO COC1CC(NCCC[NH+]2CCCCC2)C1 ZINC000220829522 134316177 /nfs/dbraw/zinc/31/61/77/134316177.db2.gz DWFJQKNNJIIXGP-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CCC[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169356 134359525 /nfs/dbraw/zinc/35/95/25/134359525.db2.gz VGWCOXHHDPCXRS-CYBMUJFWSA-N 1 3 249.358 1.101 20 0 BDADHO COCCCCC[N@@H+]1CCC[C@H](N)C1 ZINC000226417660 134365543 /nfs/dbraw/zinc/36/55/43/134365543.db2.gz XGRGUFYAIMNEJE-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO COCCCCC[N@H+]1CCC[C@H](N)C1 ZINC000226417660 134365544 /nfs/dbraw/zinc/36/55/44/134365544.db2.gz XGRGUFYAIMNEJE-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO OCCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000051907743 134692312 /nfs/dbraw/zinc/69/23/12/134692312.db2.gz DEDJGIHNFIREJA-UHFFFAOYSA-N 1 3 226.364 1.177 20 0 BDADHO CC[C@@H](C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249052761 135031358 /nfs/dbraw/zinc/03/13/58/135031358.db2.gz XUXIEZKAWCCLOE-RKFYDKJMSA-N 1 3 240.391 1.608 20 0 BDADHO CC[C@@H](C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249052761 135031359 /nfs/dbraw/zinc/03/13/59/135031359.db2.gz XUXIEZKAWCCLOE-RKFYDKJMSA-N 1 3 240.391 1.608 20 0 BDADHO COC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456037 135054701 /nfs/dbraw/zinc/05/47/01/135054701.db2.gz IKABRSCPQHLURP-IHRRRGAJSA-N 1 3 238.375 1.628 20 0 BDADHO COC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456037 135054704 /nfs/dbraw/zinc/05/47/04/135054704.db2.gz IKABRSCPQHLURP-IHRRRGAJSA-N 1 3 238.375 1.628 20 0 BDADHO Cc1nccn1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250842330 135060121 /nfs/dbraw/zinc/06/01/21/135060121.db2.gz VMIRXLGNDBKONX-KBPBESRZSA-N 1 3 248.374 1.408 20 0 BDADHO Cc1nccn1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250842330 135060124 /nfs/dbraw/zinc/06/01/24/135060124.db2.gz VMIRXLGNDBKONX-KBPBESRZSA-N 1 3 248.374 1.408 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251001557 135061092 /nfs/dbraw/zinc/06/10/92/135061092.db2.gz PRJKEOUJVZLPTB-SRVKXCTJSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251001557 135061094 /nfs/dbraw/zinc/06/10/94/135061094.db2.gz PRJKEOUJVZLPTB-SRVKXCTJSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251201300 135065981 /nfs/dbraw/zinc/06/59/81/135065981.db2.gz KTGCNXWPRLQPKE-AAVRWANBSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000251455483 135069899 /nfs/dbraw/zinc/06/98/99/135069899.db2.gz CCOCOJRQQBETMJ-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000251455483 135069901 /nfs/dbraw/zinc/06/99/01/135069901.db2.gz CCOCOJRQQBETMJ-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCCOC1 ZINC000252107581 135083380 /nfs/dbraw/zinc/08/33/80/135083380.db2.gz JCVXEOKSMWMAOC-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCCOC1 ZINC000252107581 135083382 /nfs/dbraw/zinc/08/33/82/135083382.db2.gz JCVXEOKSMWMAOC-UTUOFQBUSA-N 1 3 212.337 1.082 20 0 BDADHO CN(CCOCC[NH3+])Cc1cccc(F)c1 ZINC000086435366 135084330 /nfs/dbraw/zinc/08/43/30/135084330.db2.gz XPOGHDKALDEWKA-UHFFFAOYSA-N 1 3 226.295 1.233 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1CCO[C@H]1C ZINC000252691761 135096833 /nfs/dbraw/zinc/09/68/33/135096833.db2.gz YYTOYVZTUAUONB-VWYCJHECSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000252768517 135108699 /nfs/dbraw/zinc/10/86/99/135108699.db2.gz RWLBRHLFSADBKK-FIQHERPVSA-N 1 3 214.353 1.253 20 0 BDADHO CCCCOCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252790401 135111005 /nfs/dbraw/zinc/11/10/05/135111005.db2.gz YUBOLZSXFJALAC-NWDGAFQWSA-N 1 3 214.353 1.472 20 0 BDADHO Nc1cccc(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000261642874 135111355 /nfs/dbraw/zinc/11/13/55/135111355.db2.gz GQCMVPRDSPCLGS-GFCCVEGCSA-N 1 3 219.332 1.440 20 0 BDADHO Cc1ccncc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842105 135113097 /nfs/dbraw/zinc/11/30/97/135113097.db2.gz CKRMYMMEBZFVAF-QEJZJMRPSA-N 1 3 245.370 1.949 20 0 BDADHO C[N@H+](C[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261530292 135157663 /nfs/dbraw/zinc/15/76/63/135157663.db2.gz CGAIQBLTQDXZFI-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCCNCC1 ZINC000261530292 135157664 /nfs/dbraw/zinc/15/76/64/135157664.db2.gz CGAIQBLTQDXZFI-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)OCCC[NH2+]C[C@@H]1CCCNC1 ZINC000087646235 135161008 /nfs/dbraw/zinc/16/10/08/135161008.db2.gz MEFNNFOZKHBTLR-GFCCVEGCSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)NC1Cc2ccccc2C1 ZINC000261532656 135163145 /nfs/dbraw/zinc/16/31/45/135163145.db2.gz KCIZPKRVQNPWSE-NXEZZACHSA-N 1 3 204.317 1.479 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC1Cc2ccccc2C1 ZINC000261532657 135163515 /nfs/dbraw/zinc/16/35/15/135163515.db2.gz KCIZPKRVQNPWSE-UWVGGRQHSA-N 1 3 204.317 1.479 20 0 BDADHO C[C@@H](NC1Cc2ccccc2C1)[C@H](C)[NH3+] ZINC000261532658 135163675 /nfs/dbraw/zinc/16/36/75/135163675.db2.gz KCIZPKRVQNPWSE-VHSXEESVSA-N 1 3 204.317 1.479 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000261533029 135163890 /nfs/dbraw/zinc/16/38/90/135163890.db2.gz GBFSVJMTFUFPRU-FRRDWIJNSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCO[C@H](C)C2)CC[NH2+]1 ZINC000261534361 135166861 /nfs/dbraw/zinc/16/68/61/135166861.db2.gz MCHVJSQFGCFSFL-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO CSC[C@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261539266 135178170 /nfs/dbraw/zinc/17/81/70/135178170.db2.gz BZNSXUIEKIOBLO-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO CSC[C@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261539266 135178171 /nfs/dbraw/zinc/17/81/71/135178171.db2.gz BZNSXUIEKIOBLO-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000261539949 135178581 /nfs/dbraw/zinc/17/85/81/135178581.db2.gz CRJKPTLMDMLVAO-QJPTWQEYSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000261539949 135178583 /nfs/dbraw/zinc/17/85/83/135178583.db2.gz CRJKPTLMDMLVAO-QJPTWQEYSA-N 1 3 243.395 1.206 20 0 BDADHO COC(=O)C(C)(C)CN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000261540965 135180521 /nfs/dbraw/zinc/18/05/21/135180521.db2.gz ASKKACRIPZFZER-QWRGUYRKSA-N 1 3 242.363 1.306 20 0 BDADHO C[C@H](c1cccnc1)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261542126 135182730 /nfs/dbraw/zinc/18/27/30/135182730.db2.gz BVIWQPVHFLACGH-VZZFWQQMSA-N 1 3 231.343 1.812 20 0 BDADHO COCC(C)(C)C[N@@H+]1CCC[C@@H](CN)C1 ZINC000261543139 135183676 /nfs/dbraw/zinc/18/36/76/135183676.db2.gz HNEVUVQPIKLQMG-NSHDSACASA-N 1 3 214.353 1.330 20 0 BDADHO COCC(C)(C)C[N@H+]1CCC[C@@H](CN)C1 ZINC000261543139 135183677 /nfs/dbraw/zinc/18/36/77/135183677.db2.gz HNEVUVQPIKLQMG-NSHDSACASA-N 1 3 214.353 1.330 20 0 BDADHO COCC(C)(C)CN1CCC[C@@H](C[NH3+])C1 ZINC000261543139 135183678 /nfs/dbraw/zinc/18/36/78/135183678.db2.gz HNEVUVQPIKLQMG-NSHDSACASA-N 1 3 214.353 1.330 20 0 BDADHO CSCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084216907 135192461 /nfs/dbraw/zinc/19/24/61/135192461.db2.gz HASYXFIFLGRINO-WDEREUQCSA-N 1 3 216.394 1.847 20 0 BDADHO CSCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216905 135192824 /nfs/dbraw/zinc/19/28/24/135192824.db2.gz HASYXFIFLGRINO-MNOVXSKESA-N 1 3 216.394 1.847 20 0 BDADHO C([C@H]1CCCNC1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000261560068 135200447 /nfs/dbraw/zinc/20/04/47/135200447.db2.gz ZMCNCLMPIYBPAL-WCQYABFASA-N 1 3 208.349 1.718 20 0 BDADHO C([C@H]1CCCNC1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000261560068 135200449 /nfs/dbraw/zinc/20/04/49/135200449.db2.gz ZMCNCLMPIYBPAL-WCQYABFASA-N 1 3 208.349 1.718 20 0 BDADHO CN(CC[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000261564090 135205813 /nfs/dbraw/zinc/20/58/13/135205813.db2.gz CFXXRBKBBFGQAH-NSHDSACASA-N 1 3 214.353 1.330 20 0 BDADHO CCOCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000261571298 135212788 /nfs/dbraw/zinc/21/27/88/135212788.db2.gz HKGRPIRNCGDFOI-RYUDHWBXSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@H]1CCc2ccccc2C1 ZINC000261580248 135220940 /nfs/dbraw/zinc/22/09/40/135220940.db2.gz MUUSGEAJCXNHND-MJVIPROJSA-N 1 3 218.344 1.869 20 0 BDADHO COCC1(C[NH2+][C@H]2CCCNCC2)CCC1 ZINC000261581759 135222420 /nfs/dbraw/zinc/22/24/20/135222420.db2.gz NXGKRMZFFQBQER-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261583063 135224482 /nfs/dbraw/zinc/22/44/82/135224482.db2.gz OUYUDVFIAVSSJR-RYUDHWBXSA-N 1 3 228.380 1.766 20 0 BDADHO COc1ccccc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261584042 135224758 /nfs/dbraw/zinc/22/47/58/135224758.db2.gz SAOPIEFKHCQPEO-YUTCNCBUSA-N 1 3 246.354 1.864 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@@H]1O)CC(C)(C)N ZINC000261589082 135230154 /nfs/dbraw/zinc/23/01/54/135230154.db2.gz SXELNQSYVOZCIK-QWRGUYRKSA-N 1 3 214.353 1.207 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)CC(C)(C)N ZINC000261589082 135230155 /nfs/dbraw/zinc/23/01/55/135230155.db2.gz SXELNQSYVOZCIK-QWRGUYRKSA-N 1 3 214.353 1.207 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)c1ccsc1 ZINC000261593424 135233330 /nfs/dbraw/zinc/23/33/30/135233330.db2.gz WUMDYSKPQGZMOL-WCQGTBRESA-N 1 3 240.372 1.499 20 0 BDADHO C[C@@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000261595228 135235043 /nfs/dbraw/zinc/23/50/43/135235043.db2.gz XYAFZZISIRAAQK-MROQNXINSA-N 1 3 226.364 1.268 20 0 BDADHO CCC[N@H+](C[C@@H](C)N)C[C@@H]1CCCCO1 ZINC000261597449 135236984 /nfs/dbraw/zinc/23/69/84/135236984.db2.gz ZBOFNCOLHONRMP-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@@H+](C[C@@H](C)N)C[C@@H]1CCCCO1 ZINC000261597449 135236985 /nfs/dbraw/zinc/23/69/85/135236985.db2.gz ZBOFNCOLHONRMP-NEPJUHHUSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261547702 135241072 /nfs/dbraw/zinc/24/10/72/135241072.db2.gz IOQJGLFXHJDNTG-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261547702 135241073 /nfs/dbraw/zinc/24/10/73/135241073.db2.gz IOQJGLFXHJDNTG-BFHYXJOUSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261547704 135241241 /nfs/dbraw/zinc/24/12/41/135241241.db2.gz IOQJGLFXHJDNTG-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000261547704 135241242 /nfs/dbraw/zinc/24/12/42/135241242.db2.gz IOQJGLFXHJDNTG-MELADBBJSA-N 1 3 240.391 1.611 20 0 BDADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)N)CC(C)C ZINC000164408369 135243183 /nfs/dbraw/zinc/24/31/83/135243183.db2.gz AEMXVPOJXPEKDM-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO CCc1ccc([C@H]2CNCCN2C[C@H](C)[NH3+])cc1 ZINC000261689187 135245997 /nfs/dbraw/zinc/24/59/97/135245997.db2.gz IXSCBVLSUWFLKL-SWLSCSKDSA-N 1 3 247.386 1.543 20 0 BDADHO Cc1noc(C)c1CNC[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261728452 135248176 /nfs/dbraw/zinc/24/81/76/135248176.db2.gz NZYUNJSRWRWYMM-BXKDBHETSA-N 1 3 237.347 1.769 20 0 BDADHO C[C@@H]1CCN(C)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261900370 135261577 /nfs/dbraw/zinc/26/15/77/135261577.db2.gz VWJACXDCKHZOKI-OLZOCXBDSA-N 1 3 225.380 1.012 20 0 BDADHO c1ccc2c(c1)CNCCN2CC1CC[NH2+]CC1 ZINC000262213544 135290918 /nfs/dbraw/zinc/29/09/18/135290918.db2.gz LWKYUMPZSHDPKU-UHFFFAOYSA-N 1 3 245.370 1.596 20 0 BDADHO CN(C)CC1(CNC2=[NH+]CCCN2)CCCC1 ZINC000262394826 135298995 /nfs/dbraw/zinc/29/89/95/135298995.db2.gz SNSSAHVWNDXJQU-UHFFFAOYSA-N 1 3 238.379 1.047 20 0 BDADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCCCCC[NH3+] ZINC000262698006 135314364 /nfs/dbraw/zinc/31/43/64/135314364.db2.gz AEFLDIMOWPKAAC-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H]1COCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000334370662 135375207 /nfs/dbraw/zinc/37/52/07/135375207.db2.gz PANMSGXEJFWNRP-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]1COCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000334370662 135375208 /nfs/dbraw/zinc/37/52/08/135375208.db2.gz PANMSGXEJFWNRP-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@H](N)CC(C)C)CC[C@@H]1C ZINC000299919809 135381784 /nfs/dbraw/zinc/38/17/84/135381784.db2.gz XEHDDTCYRCLPHF-YNEHKIRRSA-N 1 3 228.380 1.717 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@H](N)CC(C)C)CC[C@@H]1C ZINC000299919809 135381785 /nfs/dbraw/zinc/38/17/85/135381785.db2.gz XEHDDTCYRCLPHF-YNEHKIRRSA-N 1 3 228.380 1.717 20 0 BDADHO Cn1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000335372281 136084161 /nfs/dbraw/zinc/08/41/61/136084161.db2.gz QEVIWASSZVEWTL-AWEZNQCLSA-N 1 3 248.374 1.242 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOCc1ccccc1 ZINC000405237794 397750872 /nfs/dbraw/zinc/75/08/72/397750872.db2.gz URADVVMSVBHESR-ZIAGYGMSSA-N 1 3 248.370 1.919 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOCc1ccccc1 ZINC000405237794 397750877 /nfs/dbraw/zinc/75/08/77/397750877.db2.gz URADVVMSVBHESR-ZIAGYGMSSA-N 1 3 248.370 1.919 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)CN1CCCC1 ZINC000120312191 397995979 /nfs/dbraw/zinc/99/59/79/397995979.db2.gz YLYPPTXFQGVXON-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](CN[C@H]1CCO[C@@H]1C)C[NH+]1CCCC1 ZINC000120312191 397995983 /nfs/dbraw/zinc/99/59/83/397995983.db2.gz YLYPPTXFQGVXON-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO [NH3+]CCCN1CCC(OC2CCCC2)CC1 ZINC000414690048 398019382 /nfs/dbraw/zinc/01/93/82/398019382.db2.gz HLIULESXTVPJKT-UHFFFAOYSA-N 1 3 226.364 1.759 20 0 BDADHO CC[C@@H]1CN(Cc2cccc(N)c2)CC[C@@H]1[NH3+] ZINC000647934805 398034327 /nfs/dbraw/zinc/03/43/27/398034327.db2.gz REJIQZRGBQEURW-OCCSQVGLSA-N 1 3 233.359 1.828 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCNC1 ZINC000414857831 398066067 /nfs/dbraw/zinc/06/60/67/398066067.db2.gz QHMDMVWCYQYPRN-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO CCCC[NH+]1CCC(N[C@@H](C)[C@@H](C)O)CC1 ZINC000564857893 398077320 /nfs/dbraw/zinc/07/73/20/398077320.db2.gz ZTNNJUFWJTYKMX-NWDGAFQWSA-N 1 3 228.380 1.610 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000384711460 398103553 /nfs/dbraw/zinc/10/35/53/398103553.db2.gz GKZAHRRNLAQORW-RXGFPQBGSA-N 1 3 226.364 1.673 20 0 BDADHO CC(C)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928406 167030138 /nfs/dbraw/zinc/03/01/38/167030138.db2.gz UBACTOHFIHUTLQ-RWMBFGLXSA-N 1 3 208.349 1.811 20 0 BDADHO CC(C)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928406 167030140 /nfs/dbraw/zinc/03/01/40/167030140.db2.gz UBACTOHFIHUTLQ-RWMBFGLXSA-N 1 3 208.349 1.811 20 0 BDADHO CCO[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000250483473 487528907 /nfs/dbraw/zinc/52/89/07/487528907.db2.gz GJRWQSGRFXYQMH-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[NH2+]CCCN(CCOC)CC(C)C ZINC000042370639 173346719 /nfs/dbraw/zinc/34/67/19/173346719.db2.gz ZXQIRAFZSGQRNL-UHFFFAOYSA-N 1 3 202.342 1.200 20 0 BDADHO CNCCC[N@H+](CCOC)CC(C)C ZINC000042370639 173346720 /nfs/dbraw/zinc/34/67/20/173346720.db2.gz ZXQIRAFZSGQRNL-UHFFFAOYSA-N 1 3 202.342 1.200 20 0 BDADHO CNCCC[N@@H+](CCOC)CC(C)C ZINC000042370639 173346721 /nfs/dbraw/zinc/34/67/21/173346721.db2.gz ZXQIRAFZSGQRNL-UHFFFAOYSA-N 1 3 202.342 1.200 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H](C)C1 ZINC000393734084 487579007 /nfs/dbraw/zinc/57/90/07/487579007.db2.gz ADGDNNDJXJZZFX-JHJVBQTASA-N 1 3 228.380 1.275 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)[C@H](C)C1 ZINC000393734084 487579011 /nfs/dbraw/zinc/57/90/11/487579011.db2.gz ADGDNNDJXJZZFX-JHJVBQTASA-N 1 3 228.380 1.275 20 0 BDADHO CC(C)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000145060766 487603405 /nfs/dbraw/zinc/60/34/05/487603405.db2.gz WEKZNHIQKNXXOV-CYBMUJFWSA-N 1 3 206.333 1.945 20 0 BDADHO Cc1ccncc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000162657351 487607922 /nfs/dbraw/zinc/60/79/22/487607922.db2.gz YGJNSJNUMYWQSO-JSGCOSHPSA-N 1 3 233.359 1.997 20 0 BDADHO C[C@H]1C[N@H+](C[C@H]2CCC3(CNC3)O2)C[C@H]1C ZINC000662253588 409550768 /nfs/dbraw/zinc/55/07/68/409550768.db2.gz ANXOVWXQOTXFRC-GRYCIOLGSA-N 1 3 224.348 1.095 20 0 BDADHO C[C@H]1C[N@@H+](C[C@H]2CCC3(CNC3)O2)C[C@H]1C ZINC000662253588 409550773 /nfs/dbraw/zinc/55/07/73/409550773.db2.gz ANXOVWXQOTXFRC-GRYCIOLGSA-N 1 3 224.348 1.095 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCO[C@@H]1CC1(F)F ZINC000662276547 409590300 /nfs/dbraw/zinc/59/03/00/409590300.db2.gz KHKVJLARXLQVKN-NXEZZACHSA-N 1 3 248.317 1.388 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000662276547 409590312 /nfs/dbraw/zinc/59/03/12/409590312.db2.gz KHKVJLARXLQVKN-NXEZZACHSA-N 1 3 248.317 1.388 20 0 BDADHO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662284591 409614695 /nfs/dbraw/zinc/61/46/95/409614695.db2.gz ZFCQVIGAKACTFY-AGIUHOORSA-N 1 3 238.375 1.676 20 0 BDADHO CCN(CCOC)[C@H]1CCC[NH2+]CC1 ZINC000082666825 409849379 /nfs/dbraw/zinc/84/93/79/409849379.db2.gz IKIRWODBPLOELL-NSHDSACASA-N 1 3 200.326 1.097 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715328 410350586 /nfs/dbraw/zinc/35/05/86/410350586.db2.gz YNJBZXPIHXYQPG-KBPBESRZSA-N 1 3 247.386 1.986 20 0 BDADHO CN1CCN(CCC[NH3+])[C@H](Cc2ccccc2)C1 ZINC000650720524 410358435 /nfs/dbraw/zinc/35/84/35/410358435.db2.gz RUWNZOGNAOHECB-OAHLLOKOSA-N 1 3 247.386 1.194 20 0 BDADHO CC[C@H](NCCC1(C[NH3+])CC1)c1ccn(C)n1 ZINC000650747043 410384578 /nfs/dbraw/zinc/38/45/78/410384578.db2.gz PXUMHAPERINJKI-NSHDSACASA-N 1 3 236.363 1.590 20 0 BDADHO C[C@H](COCC1CC1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000650761319 410408715 /nfs/dbraw/zinc/40/87/15/410408715.db2.gz XLUVTHMQOLXDLD-GARJFASQSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](NCCC1CC[NH2+]CC1)c1nccn1C ZINC000650763309 410414474 /nfs/dbraw/zinc/41/44/74/410414474.db2.gz XLJUDOCMEXIJPY-NSHDSACASA-N 1 3 236.363 1.460 20 0 BDADHO CCCCN(CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000309235222 410538025 /nfs/dbraw/zinc/53/80/25/410538025.db2.gz JJLLMNPQWJKLJA-CYBMUJFWSA-N 1 3 230.396 1.810 20 0 BDADHO CCCCN(CC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000309235222 410538032 /nfs/dbraw/zinc/53/80/32/410538032.db2.gz JJLLMNPQWJKLJA-CYBMUJFWSA-N 1 3 230.396 1.810 20 0 BDADHO CC(C)OCCN1CCC[C@H](C[NH3+])C1 ZINC000049259811 167231466 /nfs/dbraw/zinc/23/14/66/167231466.db2.gz GBFSSSDUCVTQMJ-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)OCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367635169 167243850 /nfs/dbraw/zinc/24/38/50/167243850.db2.gz KOZPTKCVPXWQMP-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367635169 167243851 /nfs/dbraw/zinc/24/38/51/167243851.db2.gz KOZPTKCVPXWQMP-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367635169 167243854 /nfs/dbraw/zinc/24/38/54/167243854.db2.gz KOZPTKCVPXWQMP-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000128143769 167244996 /nfs/dbraw/zinc/24/49/96/167244996.db2.gz QKNWLXXHBUJCKX-NWDGAFQWSA-N 1 3 214.353 1.484 20 0 BDADHO CC(C)OCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000128143769 167244998 /nfs/dbraw/zinc/24/49/98/167244998.db2.gz QKNWLXXHBUJCKX-NWDGAFQWSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](CCCCO)NC[C@H]1CCCC[NH2+]1 ZINC000398503112 410970260 /nfs/dbraw/zinc/97/02/60/410970260.db2.gz CEHVUJPDQHKAHL-VXGBXAGGSA-N 1 3 214.353 1.269 20 0 BDADHO CN(C)CCN(C)CCC[NH2+]C1CCCCC1 ZINC000111150725 411139152 /nfs/dbraw/zinc/13/91/52/411139152.db2.gz FRWZXBNMSYDKKO-UHFFFAOYSA-N 1 3 241.423 1.792 20 0 BDADHO CC[C@@H](COC)NCCC[N@H+](C)CC(C)C ZINC000651866203 411147732 /nfs/dbraw/zinc/14/77/32/411147732.db2.gz YUASVKDYUIDVOW-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO CC[C@@H](COC)NCCC[N@@H+](C)CC(C)C ZINC000651866203 411147733 /nfs/dbraw/zinc/14/77/33/411147733.db2.gz YUASVKDYUIDVOW-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO CC[C@@H](COC)[NH2+]CCCN(C)CC(C)C ZINC000651866203 411147734 /nfs/dbraw/zinc/14/77/34/411147734.db2.gz YUASVKDYUIDVOW-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000400634474 411157287 /nfs/dbraw/zinc/15/72/87/411157287.db2.gz QAOSFZNXXSHTJB-IHRRRGAJSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000400634474 411157290 /nfs/dbraw/zinc/15/72/90/411157290.db2.gz QAOSFZNXXSHTJB-IHRRRGAJSA-N 1 3 238.375 1.474 20 0 BDADHO CCN(CC)CCC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661626294 411092715 /nfs/dbraw/zinc/09/27/15/411092715.db2.gz NWZIVPBIDVSJFB-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C1(C)C ZINC000300392690 411120919 /nfs/dbraw/zinc/12/09/19/411120919.db2.gz VUULUWLACQZUCG-LPEHRKFASA-N 1 3 200.326 1.127 20 0 BDADHO c1cc(N2CCNCC2)cc(NC2CCCC2)[nH+]1 ZINC000116600096 411173522 /nfs/dbraw/zinc/17/35/22/411173522.db2.gz PLCYKYHRGPJQEW-UHFFFAOYSA-N 1 3 246.358 1.846 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC(C2CC2)CC1 ZINC000653694427 411185594 /nfs/dbraw/zinc/18/55/94/411185594.db2.gz DTJUBMBJKGMTOB-CQSZACIVSA-N 1 3 240.391 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(C2CC2)CC1 ZINC000653694427 411185597 /nfs/dbraw/zinc/18/55/97/411185597.db2.gz DTJUBMBJKGMTOB-CQSZACIVSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H]1CC[C@H]([NH2+]CCOCCN(C)C)CS1 ZINC000655757574 411189229 /nfs/dbraw/zinc/18/92/29/411189229.db2.gz JDYQIVASUCLTBL-RYUDHWBXSA-N 1 3 246.420 1.438 20 0 BDADHO C[C@@H](CN[C@@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019207 411199968 /nfs/dbraw/zinc/19/99/68/411199968.db2.gz WAHDMXJENSNGDB-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@@H](CC(C)(C)C)[NH2+]C1CCNCC1 ZINC000656193315 411200515 /nfs/dbraw/zinc/20/05/15/411200515.db2.gz GBELYIAEFFGQGU-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO COC[C@@H](CC(C)(C)C)NC1CC[NH2+]CC1 ZINC000656193315 411200518 /nfs/dbraw/zinc/20/05/18/411200518.db2.gz GBELYIAEFFGQGU-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000656199946 411204168 /nfs/dbraw/zinc/20/41/68/411204168.db2.gz GYTGKKHCDSMHPF-MNOVXSKESA-N 1 3 212.337 1.130 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1CCCC[C@@H]1O ZINC000652341162 411205409 /nfs/dbraw/zinc/20/54/09/411205409.db2.gz LKOMEWHYVIFODX-PEBLQZBPSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000652341164 411205932 /nfs/dbraw/zinc/20/59/32/411205932.db2.gz LKOMEWHYVIFODX-XGFWRYKXSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCC1CC1 ZINC000656200945 411206196 /nfs/dbraw/zinc/20/61/96/411206196.db2.gz ZOIYPIPPXWEQDX-WCFLWFBJSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H]1CCCN(Cc2ccnc(N)c2)[C@H]1CC[NH3+] ZINC000652355991 411214669 /nfs/dbraw/zinc/21/46/69/411214669.db2.gz ORGBXZSNNQZVMK-YPMHNXCESA-N 1 3 248.374 1.443 20 0 BDADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCC[C@@H]1N ZINC000422884849 411233197 /nfs/dbraw/zinc/23/31/97/411233197.db2.gz FVDZGMWWIFECDP-CRWXNKLISA-N 1 3 239.407 1.719 20 0 BDADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422884897 411233663 /nfs/dbraw/zinc/23/36/63/411233663.db2.gz FVDZGMWWIFECDP-RFQIPJPRSA-N 1 3 239.407 1.719 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOCC1CC1 ZINC000422884288 411233980 /nfs/dbraw/zinc/23/39/80/411233980.db2.gz DTLKUBSWKNDSAK-DGCLKSJQSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)CCCc1cccnc1)C1CNC1 ZINC000423173207 411236279 /nfs/dbraw/zinc/23/62/79/411236279.db2.gz XLJHKANPBTZJRC-QWHCGFSZSA-N 1 3 247.386 1.990 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCCC12CCOCC2 ZINC000423232917 411238139 /nfs/dbraw/zinc/23/81/39/411238139.db2.gz JBEAVXZLQJOXFZ-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO CCCCCN(CCO)C[C@H]1CC[NH2+]C1 ZINC000309838532 411267697 /nfs/dbraw/zinc/26/76/97/411267697.db2.gz NAQRBEWVMMXZCZ-LBPRGKRZSA-N 1 3 214.353 1.080 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCCN1 ZINC000402138846 411270225 /nfs/dbraw/zinc/27/02/25/411270225.db2.gz LITXSXRJVJBONK-WYUUTHIRSA-N 1 3 212.337 1.284 20 0 BDADHO c1c(CNC2CCCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656466213 411278004 /nfs/dbraw/zinc/27/80/04/411278004.db2.gz AFMZIPNVZQLBFM-CYBMUJFWSA-N 1 3 249.362 1.235 20 0 BDADHO C[C@@H](CCNC(=[NH2+])N1CCC(C)CC1)N(C)C ZINC000656508575 411288810 /nfs/dbraw/zinc/28/88/10/411288810.db2.gz OABCTCPTYUBXPQ-LBPRGKRZSA-N 1 3 240.395 1.583 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000130523188 411357779 /nfs/dbraw/zinc/35/77/79/411357779.db2.gz JKKPCTSJCNICJL-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000130523188 411357782 /nfs/dbraw/zinc/35/77/82/411357782.db2.gz JKKPCTSJCNICJL-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@@H](CC)CO1 ZINC000403877487 411363694 /nfs/dbraw/zinc/36/36/94/411363694.db2.gz SXXCHGRHIGQUGH-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@]12COC[C@]1(C)CN(C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656787232 411365756 /nfs/dbraw/zinc/36/57/56/411365756.db2.gz HPVJNCCCVBEUMJ-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]CC1(N)CCCC1 ZINC000656789335 411368749 /nfs/dbraw/zinc/36/87/49/411368749.db2.gz NEGWNHFGUMCRCX-LLVKDONJSA-N 1 3 222.336 1.133 20 0 BDADHO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000658333049 411340798 /nfs/dbraw/zinc/34/07/98/411340798.db2.gz SGHKZJDAWDEKNS-VJTDZRGJSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658333049 411340802 /nfs/dbraw/zinc/34/08/02/411340802.db2.gz SGHKZJDAWDEKNS-VJTDZRGJSA-N 1 3 238.375 1.626 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658333049 411340806 /nfs/dbraw/zinc/34/08/06/411340806.db2.gz SGHKZJDAWDEKNS-VJTDZRGJSA-N 1 3 238.375 1.626 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308335 411457820 /nfs/dbraw/zinc/45/78/20/411457820.db2.gz ZLDKPKVDGYBSDE-YRGRVCCFSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308335 411457824 /nfs/dbraw/zinc/45/78/24/411457824.db2.gz ZLDKPKVDGYBSDE-YRGRVCCFSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H]1CCCN(CCn2cccn2)[C@H]1CC[NH3+] ZINC000404384501 411392872 /nfs/dbraw/zinc/39/28/72/411392872.db2.gz NQLORVYCEKHICK-STQMWFEESA-N 1 3 236.363 1.332 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H](C)C[NH+]2CCCC2)CO1 ZINC000657319213 411460866 /nfs/dbraw/zinc/46/08/66/411460866.db2.gz VMPAKQLEIYFMCQ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CCCC2)CO1 ZINC000657319213 411460867 /nfs/dbraw/zinc/46/08/67/411460867.db2.gz VMPAKQLEIYFMCQ-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@@H]1CCCN(C[C@H](O)C[N@H+](C)CC)C1 ZINC000653568606 411424549 /nfs/dbraw/zinc/42/45/49/411424549.db2.gz DVFSTWWPYWAKBO-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653568606 411424551 /nfs/dbraw/zinc/42/45/51/411424551.db2.gz DVFSTWWPYWAKBO-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO OCC1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000122340402 411426796 /nfs/dbraw/zinc/42/67/96/411426796.db2.gz FPQMGPQBOGQSKO-FRRDWIJNSA-N 1 3 238.375 1.269 20 0 BDADHO CO[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000659850905 411476981 /nfs/dbraw/zinc/47/69/81/411476981.db2.gz WONXYAVVUSYQHF-MELADBBJSA-N 1 3 238.375 1.343 20 0 BDADHO Cc1nccnc1[C@H](C)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805183 411519658 /nfs/dbraw/zinc/51/96/58/411519658.db2.gz KEQLFIFJGBERFY-RWMBFGLXSA-N 1 3 248.374 1.776 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cnccn1 ZINC000655805715 411520432 /nfs/dbraw/zinc/52/04/32/411520432.db2.gz KLXDWCVSUJZOIE-SDDRHHMPSA-N 1 3 234.347 1.467 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300230735 170007840 /nfs/dbraw/zinc/00/78/40/170007840.db2.gz CVJAHRYAGMZDNM-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO CC[N@@H+]1CC[C@@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151403488 170011485 /nfs/dbraw/zinc/01/14/85/170011485.db2.gz MPLZFJZKKGQBPV-UKRRQHHQSA-N 1 3 247.386 1.944 20 0 BDADHO CC[N@H+]1CC[C@@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151403488 170011486 /nfs/dbraw/zinc/01/14/86/170011486.db2.gz MPLZFJZKKGQBPV-UKRRQHHQSA-N 1 3 247.386 1.944 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)OC)C[C@H]1C ZINC000362183643 170019824 /nfs/dbraw/zinc/01/98/24/170019824.db2.gz PWANSSTZAJVPHL-NEPJUHHUSA-N 1 3 242.363 1.354 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)OC)C[C@H]1C ZINC000362183643 170019826 /nfs/dbraw/zinc/01/98/26/170019826.db2.gz PWANSSTZAJVPHL-NEPJUHHUSA-N 1 3 242.363 1.354 20 0 BDADHO CCN1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)C1 ZINC000328515516 170021282 /nfs/dbraw/zinc/02/12/82/170021282.db2.gz PKKCOWCUNIGBDB-AWEZNQCLSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000328515516 170021283 /nfs/dbraw/zinc/02/12/83/170021283.db2.gz PKKCOWCUNIGBDB-AWEZNQCLSA-N 1 3 239.407 1.543 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000657611181 411563101 /nfs/dbraw/zinc/56/31/01/411563101.db2.gz KSEZDVZKHZGETA-YIYPIFLZSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000657611181 411563103 /nfs/dbraw/zinc/56/31/03/411563103.db2.gz KSEZDVZKHZGETA-YIYPIFLZSA-N 1 3 238.375 1.770 20 0 BDADHO CCOCCC[N@H+](C)CCCN1CCCC1 ZINC000337194168 170370318 /nfs/dbraw/zinc/37/03/18/170370318.db2.gz ACFWQQHMOZWLEF-UHFFFAOYSA-N 1 3 228.380 1.831 20 0 BDADHO CCOCCC[N@@H+](C)CCCN1CCCC1 ZINC000337194168 170370319 /nfs/dbraw/zinc/37/03/19/170370319.db2.gz ACFWQQHMOZWLEF-UHFFFAOYSA-N 1 3 228.380 1.831 20 0 BDADHO CCOCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250408628 170399205 /nfs/dbraw/zinc/39/92/05/170399205.db2.gz UQTCOSXEPWFCFC-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO CO[C@H](C)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665121 411616181 /nfs/dbraw/zinc/61/61/81/411616181.db2.gz UMBIYJKXVPAACV-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@H](C)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665121 411616182 /nfs/dbraw/zinc/61/61/82/411616182.db2.gz UMBIYJKXVPAACV-OLZOCXBDSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](N(C)C)CC2)CCO1 ZINC000420915902 411767159 /nfs/dbraw/zinc/76/71/59/411767159.db2.gz GLMVOKLTTOCMLL-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](N(C)C)CC2)CCO1 ZINC000420915902 411767163 /nfs/dbraw/zinc/76/71/63/411767163.db2.gz GLMVOKLTTOCMLL-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO CN(C)CCC[N@H+](C)CCNc1ccccn1 ZINC000664247277 411898760 /nfs/dbraw/zinc/89/87/60/411898760.db2.gz IMYQWXOJOVRNMG-UHFFFAOYSA-N 1 3 236.363 1.377 20 0 BDADHO CN(C)CCC[N@@H+](C)CCNc1ccccn1 ZINC000664247277 411898764 /nfs/dbraw/zinc/89/87/64/411898764.db2.gz IMYQWXOJOVRNMG-UHFFFAOYSA-N 1 3 236.363 1.377 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C[C@H](C)O1 ZINC000661855236 411905517 /nfs/dbraw/zinc/90/55/17/411905517.db2.gz AHXWTZMHGNDIHC-RDBSUJKOSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C[C@H](C)O1 ZINC000661855236 411905519 /nfs/dbraw/zinc/90/55/19/411905519.db2.gz AHXWTZMHGNDIHC-RDBSUJKOSA-N 1 3 240.391 1.970 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@@H](OC)C2CCC2)C1 ZINC000662236146 412035149 /nfs/dbraw/zinc/03/51/49/412035149.db2.gz DADKHVNSTSXLIT-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CNC[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662236156 412035692 /nfs/dbraw/zinc/03/56/92/412035692.db2.gz DKAYXIFQNVHDSS-YIYPIFLZSA-N 1 3 222.376 1.964 20 0 BDADHO CNC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662236156 412035695 /nfs/dbraw/zinc/03/56/95/412035695.db2.gz DKAYXIFQNVHDSS-YIYPIFLZSA-N 1 3 222.376 1.964 20 0 BDADHO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](N)C1 ZINC000662244342 412039601 /nfs/dbraw/zinc/03/96/01/412039601.db2.gz PMVYBKUMMIJAGJ-BDAKNGLRSA-N 1 3 206.280 1.701 20 0 BDADHO CC[C@H](CC(F)F)C[N@H+]1CC[C@H](N)C1 ZINC000662244342 412039603 /nfs/dbraw/zinc/03/96/03/412039603.db2.gz PMVYBKUMMIJAGJ-BDAKNGLRSA-N 1 3 206.280 1.701 20 0 BDADHO C[NH2+]CC1CCN(CCO[C@@H]2CC2(F)F)CC1 ZINC000662246729 412043139 /nfs/dbraw/zinc/04/31/39/412043139.db2.gz QQKCEDUFXYEADN-LLVKDONJSA-N 1 3 248.317 1.342 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[NH+]1CCCCCC1 ZINC000662248917 412046191 /nfs/dbraw/zinc/04/61/91/412046191.db2.gz FNKQGGRZEZBSTA-GFCCVEGCSA-N 1 3 224.348 1.383 20 0 BDADHO C[N@H+](CC1CCCC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253256 412050181 /nfs/dbraw/zinc/05/01/81/412050181.db2.gz GVEFDJRXPULIDF-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662253256 412050183 /nfs/dbraw/zinc/05/01/83/412050183.db2.gz GVEFDJRXPULIDF-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662255475 412051534 /nfs/dbraw/zinc/05/15/34/412051534.db2.gz PTTWEOACDYWJSY-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662255475 412051536 /nfs/dbraw/zinc/05/15/36/412051536.db2.gz PTTWEOACDYWJSY-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](N)[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264953 412056556 /nfs/dbraw/zinc/05/65/56/412056556.db2.gz FOCWNSDPSBUGNR-NWBUJAPZSA-N 1 3 208.349 1.702 20 0 BDADHO C[C@H](N)[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662264953 412056559 /nfs/dbraw/zinc/05/65/59/412056559.db2.gz FOCWNSDPSBUGNR-NWBUJAPZSA-N 1 3 208.349 1.702 20 0 BDADHO Cc1cc(CN2CCC[C@H](CC[NH3+])C2)ncn1 ZINC000662273049 412064574 /nfs/dbraw/zinc/06/45/74/412064574.db2.gz ROCAAIXXNROMSB-GFCCVEGCSA-N 1 3 234.347 1.346 20 0 BDADHO CC[C@@H]1C[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000359463418 171130589 /nfs/dbraw/zinc/13/05/89/171130589.db2.gz ZGVJIBLVZMDXFN-ZOBORPQBSA-N 1 3 238.375 1.343 20 0 BDADHO CO[C@H](CN1CC[C@H]([NH3+])C[C@@H]1C)C1CCC1 ZINC000662284613 412075933 /nfs/dbraw/zinc/07/59/33/412075933.db2.gz NTTILEGLYQYGFU-WCFLWFBJSA-N 1 3 226.364 1.613 20 0 BDADHO CC[C@H](C)N(CCO)CC[C@@H]1CCC[N@@H+]1C ZINC000336659128 171314230 /nfs/dbraw/zinc/31/42/30/171314230.db2.gz MTLSJBGQQAEFGF-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](C)N(CCO)CC[C@@H]1CCC[N@H+]1C ZINC000336659128 171314233 /nfs/dbraw/zinc/31/42/33/171314233.db2.gz MTLSJBGQQAEFGF-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CC(C)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319255 412099296 /nfs/dbraw/zinc/09/92/96/412099296.db2.gz LLJZVIFAEQIYTM-CYBMUJFWSA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2N)C1 ZINC000665236819 412177283 /nfs/dbraw/zinc/17/72/83/412177283.db2.gz VCMIFKSZCQVIIO-TUAOUCFPSA-N 1 3 225.380 1.329 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000665239720 412178066 /nfs/dbraw/zinc/17/80/66/412178066.db2.gz XZOXLIAMJGXKEF-QWHCGFSZSA-N 1 3 219.332 1.402 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665238931 412180252 /nfs/dbraw/zinc/18/02/52/412180252.db2.gz HVXJERDIVZNXPF-DZGCQCFKSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000665238931 412180257 /nfs/dbraw/zinc/18/02/57/412180257.db2.gz HVXJERDIVZNXPF-DZGCQCFKSA-N 1 3 247.386 1.910 20 0 BDADHO CO[C@@H](C)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000665244729 412185472 /nfs/dbraw/zinc/18/54/72/412185472.db2.gz VBSACFWNWZXJHX-XDTLVQLUSA-N 1 3 220.316 1.756 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCO[C@@H]1CC1(F)F ZINC000665244521 412188442 /nfs/dbraw/zinc/18/84/42/412188442.db2.gz POVZNIBHIMSRPI-IVZWLZJFSA-N 1 3 234.290 1.128 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244521 412188447 /nfs/dbraw/zinc/18/84/47/412188447.db2.gz POVZNIBHIMSRPI-IVZWLZJFSA-N 1 3 234.290 1.128 20 0 BDADHO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665244794 412189348 /nfs/dbraw/zinc/18/93/48/412189348.db2.gz WUDHIAGOWDTOOS-UWVGGRQHSA-N 1 3 237.347 1.534 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(N)CCCC1 ZINC000665249600 412194627 /nfs/dbraw/zinc/19/46/27/412194627.db2.gz UEVOTDXOURIQAR-WCQYABFASA-N 1 3 237.391 1.330 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665249600 412194630 /nfs/dbraw/zinc/19/46/30/412194630.db2.gz UEVOTDXOURIQAR-WCQYABFASA-N 1 3 237.391 1.330 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)C1CNC1 ZINC000665263915 412208080 /nfs/dbraw/zinc/20/80/80/412208080.db2.gz XZSSEPYCTDYYDM-NOHGZBONSA-N 1 3 208.349 1.620 20 0 BDADHO CC[C@H](NC)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000662399089 412147395 /nfs/dbraw/zinc/14/73/95/412147395.db2.gz GJNMWHMLJPGQQG-LBPRGKRZSA-N 1 3 235.331 1.343 20 0 BDADHO CC(C)[C@H]([NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662424490 412163895 /nfs/dbraw/zinc/16/38/95/412163895.db2.gz STTJLQWTPRIKTP-CYBMUJFWSA-N 1 3 247.342 1.003 20 0 BDADHO C[C@@H]1C[C@@H](NCc2cccc(N)c2)CC[N@@H+]1C ZINC000665233865 412172234 /nfs/dbraw/zinc/17/22/34/412172234.db2.gz RKGYZYAHWBGLLO-RISCZKNCSA-N 1 3 233.359 1.841 20 0 BDADHO C[C@@H]1C[C@@H](NCc2cccc(N)c2)CC[N@H+]1C ZINC000665233865 412172236 /nfs/dbraw/zinc/17/22/36/412172236.db2.gz RKGYZYAHWBGLLO-RISCZKNCSA-N 1 3 233.359 1.841 20 0 BDADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C(C)C)N(C)C ZINC000662729716 412285675 /nfs/dbraw/zinc/28/56/75/412285675.db2.gz UOJVWMAIEUDHLJ-NEPJUHHUSA-N 1 3 243.395 1.062 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CCCCN2)n1 ZINC000665274427 412217572 /nfs/dbraw/zinc/21/75/72/412217572.db2.gz PXIAPAXYYZFMPE-GXTWGEPZSA-N 1 3 248.374 1.448 20 0 BDADHO C([NH2+]C(C1CC1)C1CC1)C12CC(C1)CN2 ZINC000665277830 412220891 /nfs/dbraw/zinc/22/08/91/412220891.db2.gz MVHTZPLDRALXRA-UHFFFAOYSA-N 1 3 206.333 1.517 20 0 BDADHO C(NC(C1CC1)C1CC1)C12CC(C1)C[NH2+]2 ZINC000665277830 412220893 /nfs/dbraw/zinc/22/08/93/412220893.db2.gz MVHTZPLDRALXRA-UHFFFAOYSA-N 1 3 206.333 1.517 20 0 BDADHO C([NH2+][C@H]1CC[C@@H]1C1CCC1)C12CC(C1)CN2 ZINC000665279469 412220928 /nfs/dbraw/zinc/22/09/28/412220928.db2.gz CWZWDUSDONIJRP-LJMKDGOPSA-N 1 3 220.360 1.907 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665279826 412223132 /nfs/dbraw/zinc/22/31/32/412223132.db2.gz NBDNXCJTUQCTBT-QPPOZKHWSA-N 1 3 238.375 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665279826 412223134 /nfs/dbraw/zinc/22/31/34/412223134.db2.gz NBDNXCJTUQCTBT-QPPOZKHWSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]C1CCC(O)CC1 ZINC000665281403 412227022 /nfs/dbraw/zinc/22/70/22/412227022.db2.gz BDIGTGOVJQOKLT-HTAVTVPLSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)[C@H]([NH3+])CCNC1CCC(O)CC1 ZINC000665281403 412227024 /nfs/dbraw/zinc/22/70/24/412227024.db2.gz BDIGTGOVJQOKLT-HTAVTVPLSA-N 1 3 214.353 1.253 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCCc1ccco1 ZINC000665284020 412229080 /nfs/dbraw/zinc/22/90/80/412229080.db2.gz YVYXYQUUURVWCJ-RYUDHWBXSA-N 1 3 208.305 1.682 20 0 BDADHO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2N)c1C ZINC000665294927 412240929 /nfs/dbraw/zinc/24/09/29/412240929.db2.gz YTDUYKJQNXOULG-QWHCGFSZSA-N 1 3 234.343 1.973 20 0 BDADHO FCCOCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665299978 412248003 /nfs/dbraw/zinc/24/80/03/412248003.db2.gz VWOKHWSEYUXEQJ-JHJVBQTASA-N 1 3 244.354 1.483 20 0 BDADHO CC[C@@H](C(N)=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335395846 487624632 /nfs/dbraw/zinc/62/46/32/487624632.db2.gz LVILEXZDFSBNNV-JTQLQIEISA-N 1 3 225.336 1.376 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591001 173027722 /nfs/dbraw/zinc/02/77/22/173027722.db2.gz WZFICYAFDFFQHX-ZIAGYGMSSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000361591001 173027725 /nfs/dbraw/zinc/02/77/25/173027725.db2.gz WZFICYAFDFFQHX-ZIAGYGMSSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CCC[C@@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000226011751 173033730 /nfs/dbraw/zinc/03/37/30/173033730.db2.gz XSHMJWSYGFSMPP-KCPJHIHWSA-N 1 3 245.370 1.815 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@]2(CCOC2)C1 ZINC000245628866 173054698 /nfs/dbraw/zinc/05/46/98/173054698.db2.gz POZQOGOLHROHTF-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@]2(CCOC2)C1 ZINC000245628866 173054701 /nfs/dbraw/zinc/05/47/01/173054701.db2.gz POZQOGOLHROHTF-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN(CCCCF)C2)C1 ZINC000367847877 173138494 /nfs/dbraw/zinc/13/84/94/173138494.db2.gz RIEFSEKWSAENRT-GFCCVEGCSA-N 1 3 214.328 1.764 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN(CCCCF)C2)C1 ZINC000367847877 173138497 /nfs/dbraw/zinc/13/84/97/173138497.db2.gz RIEFSEKWSAENRT-GFCCVEGCSA-N 1 3 214.328 1.764 20 0 BDADHO C[NH2+]CC1CCN(CCC(F)(F)F)CC1 ZINC000070914025 173338941 /nfs/dbraw/zinc/33/89/41/173338941.db2.gz BJXJUXDSPKJFIT-UHFFFAOYSA-N 1 3 224.270 1.870 20 0 BDADHO C[NH2+]CCC(=O)Nc1cccc(CN(C)C)c1 ZINC000043600402 173341854 /nfs/dbraw/zinc/34/18/54/173341854.db2.gz AGAQPEYTGPMUKD-UHFFFAOYSA-N 1 3 235.331 1.296 20 0 BDADHO COCC(C)(C)C[NH2+]CC1=CCN(C)CC1 ZINC000309468923 174072119 /nfs/dbraw/zinc/07/21/19/174072119.db2.gz QDFRGVLRDQEUDK-UHFFFAOYSA-N 1 3 226.364 1.511 20 0 BDADHO COCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000069631734 174120225 /nfs/dbraw/zinc/12/02/25/174120225.db2.gz DRLNSTGBPWOODT-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO COCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000069631734 174120227 /nfs/dbraw/zinc/12/02/27/174120227.db2.gz DRLNSTGBPWOODT-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000234893936 174155493 /nfs/dbraw/zinc/15/54/93/174155493.db2.gz PQXAZYAFSFPBTG-RYUDHWBXSA-N 1 3 226.364 1.520 20 0 BDADHO COCCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368319259 174232350 /nfs/dbraw/zinc/23/23/50/174232350.db2.gz WATKNMNSGGZRFY-GFCCVEGCSA-N 1 3 212.337 1.051 20 0 BDADHO COCCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368319259 174232353 /nfs/dbraw/zinc/23/23/53/174232353.db2.gz WATKNMNSGGZRFY-GFCCVEGCSA-N 1 3 212.337 1.051 20 0 BDADHO COCCC[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336770046 174262862 /nfs/dbraw/zinc/26/28/62/174262862.db2.gz VIBMUYSHJNHOSK-NEPJUHHUSA-N 1 3 216.369 1.589 20 0 BDADHO COCCN[C@@H](C[NH3+])C1CCCCC1 ZINC000053255878 174337764 /nfs/dbraw/zinc/33/77/64/174337764.db2.gz LPTRGSUZTHBHDP-NSHDSACASA-N 1 3 200.326 1.130 20 0 BDADHO COCCN[C@H](C[NH3+])C1CCCCC1 ZINC000053255879 174340512 /nfs/dbraw/zinc/34/05/12/174340512.db2.gz LPTRGSUZTHBHDP-LLVKDONJSA-N 1 3 200.326 1.130 20 0 BDADHO COCC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336764472 174382583 /nfs/dbraw/zinc/38/25/83/174382583.db2.gz QANCZEAQNUGHCY-LLVKDONJSA-N 1 3 212.337 1.263 20 0 BDADHO C[C@@H](c1ccccn1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000122359278 176027540 /nfs/dbraw/zinc/02/75/40/176027540.db2.gz PXIDIYDVKJNIQW-WOPDTQHZSA-N 1 3 219.332 1.812 20 0 BDADHO C[C@@H](c1cccnc1)N1CCC(C[NH3+])CC1 ZINC000044511633 176029444 /nfs/dbraw/zinc/02/94/44/176029444.db2.gz JWWCISZNVFKSOW-NSHDSACASA-N 1 3 219.332 1.813 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)CC1=CCCOC1 ZINC000336526523 176269210 /nfs/dbraw/zinc/26/92/10/176269210.db2.gz NDGKUJITANXLKI-TZMCWYRMSA-N 1 3 238.375 1.605 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)CC1=CCCOC1 ZINC000336526523 176269211 /nfs/dbraw/zinc/26/92/11/176269211.db2.gz NDGKUJITANXLKI-TZMCWYRMSA-N 1 3 238.375 1.605 20 0 BDADHO C[C@@H]1CO[C@@H](C)CN1CC1CC[NH2+]CC1 ZINC000035787523 177246709 /nfs/dbraw/zinc/24/67/09/177246709.db2.gz ONCCOLGQBLIQFL-MNOVXSKESA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000251702651 177253804 /nfs/dbraw/zinc/25/38/04/177253804.db2.gz OEKOXZOGQCYOCW-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[N@H+](CC[C@H]2CCCCN2C)CCCO1 ZINC000336339501 177253931 /nfs/dbraw/zinc/25/39/31/177253931.db2.gz DMCIAUJLENBEFD-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H]1C[N@@H+](CC[C@H]2CCCCN2C)CCCO1 ZINC000336339501 177253933 /nfs/dbraw/zinc/25/39/33/177253933.db2.gz DMCIAUJLENBEFD-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000235369618 177257176 /nfs/dbraw/zinc/25/71/76/177257176.db2.gz JLKIDSWYXTVNJX-FVCCEPFGSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000122372241 177324848 /nfs/dbraw/zinc/32/48/48/177324848.db2.gz RVXGLJDHMBPUSE-JSGCOSHPSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCc1ccccc1 ZINC000122372241 177324850 /nfs/dbraw/zinc/32/48/50/177324850.db2.gz RVXGLJDHMBPUSE-JSGCOSHPSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1ccccc1 ZINC000122372241 177324851 /nfs/dbraw/zinc/32/48/51/177324851.db2.gz RVXGLJDHMBPUSE-JSGCOSHPSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CCN1C ZINC000359037478 177332571 /nfs/dbraw/zinc/33/25/71/177332571.db2.gz QWEHEYYZKXVQCU-KBPBESRZSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@H]1C[C@@H](NCCN2CC=CCC2)CC[N@@H+]1C ZINC000359037478 177332572 /nfs/dbraw/zinc/33/25/72/177332572.db2.gz QWEHEYYZKXVQCU-KBPBESRZSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@H]1C[C@@H](NCCN2CC=CCC2)CC[N@H+]1C ZINC000359037478 177332573 /nfs/dbraw/zinc/33/25/73/177332573.db2.gz QWEHEYYZKXVQCU-KBPBESRZSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCN2CC=CCC2)CCN1C ZINC000359037481 177369124 /nfs/dbraw/zinc/36/91/24/177369124.db2.gz QWEHEYYZKXVQCU-UONOGXRCSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@H]1C[C@H](NCCN2CC=CCC2)CC[N@@H+]1C ZINC000359037481 177369125 /nfs/dbraw/zinc/36/91/25/177369125.db2.gz QWEHEYYZKXVQCU-UONOGXRCSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@H]1C[C@H](NCCN2CC=CCC2)CC[N@H+]1C ZINC000359037481 177369126 /nfs/dbraw/zinc/36/91/26/177369126.db2.gz QWEHEYYZKXVQCU-UONOGXRCSA-N 1 3 237.391 1.321 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000036908598 177369384 /nfs/dbraw/zinc/36/93/84/177369384.db2.gz OYZLVNPZPCHLKQ-DYEKYZERSA-N 1 3 239.407 1.399 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000494352624 226264358 /nfs/dbraw/zinc/26/43/58/226264358.db2.gz VLRYLMVIPQAHKR-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO CN(CCCc1cncn1C)[C@H](C[NH3+])C1CC1 ZINC000314097436 487659696 /nfs/dbraw/zinc/65/96/96/487659696.db2.gz BHUKLFZUTWXVEV-CYBMUJFWSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662568291 487661044 /nfs/dbraw/zinc/66/10/44/487661044.db2.gz QSYCHHXWOYNPFZ-OUJBWJOFSA-N 1 3 247.342 1.073 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCc2cncn2C)C1 ZINC000314980960 487669160 /nfs/dbraw/zinc/66/91/60/487669160.db2.gz XNMSAOJEDQLSFF-VXGBXAGGSA-N 1 3 236.363 1.022 20 0 BDADHO Cn1cncc1CCC[N@H+](C)C1CCNCC1 ZINC000314923711 487670259 /nfs/dbraw/zinc/67/02/59/487670259.db2.gz PSZCASUKZQRLPY-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO Cn1cncc1CCC[N@@H+](C)C1CCNCC1 ZINC000314923711 487670262 /nfs/dbraw/zinc/67/02/62/487670262.db2.gz PSZCASUKZQRLPY-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO CN(CCCc1cncn1C)C1CC[NH2+]CC1 ZINC000314923711 487670264 /nfs/dbraw/zinc/67/02/64/487670264.db2.gz PSZCASUKZQRLPY-UHFFFAOYSA-N 1 3 236.363 1.037 20 0 BDADHO C[C@H]([NH3+])CN1CCCN(Cc2ccccc2)CC1 ZINC000307656439 229218346 /nfs/dbraw/zinc/21/83/46/229218346.db2.gz QMGYJPMHCWELDN-AWEZNQCLSA-N 1 3 247.386 1.542 20 0 BDADHO C[C@H](C[NH2+]CC[C@@H]1CCOC1)CN1CCCC1 ZINC000400535328 229239642 /nfs/dbraw/zinc/23/96/42/229239642.db2.gz IXVQWYYSRGGQNG-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO COCC[C@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717774 487721414 /nfs/dbraw/zinc/72/14/14/487721414.db2.gz YHQAWUMSEZQVSP-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CCN(CCNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000226397756 487731092 /nfs/dbraw/zinc/73/10/92/487731092.db2.gz JRJYTXHYOHUWEL-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H]1CN([C@H](C)COC)CC[C@H]1[NH3+] ZINC000251728598 487792953 /nfs/dbraw/zinc/79/29/53/487792953.db2.gz KHFKDFUCOOHEBR-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000414699058 487817857 /nfs/dbraw/zinc/81/78/57/487817857.db2.gz DVXGFSYAHJHBHJ-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO NCCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000414699058 487817863 /nfs/dbraw/zinc/81/78/63/487817863.db2.gz DVXGFSYAHJHBHJ-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]CCCN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000414699058 487817865 /nfs/dbraw/zinc/81/78/65/487817865.db2.gz DVXGFSYAHJHBHJ-VXGBXAGGSA-N 1 3 212.337 1.084 20 0 BDADHO COCCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000234630451 487845520 /nfs/dbraw/zinc/84/55/20/487845520.db2.gz JFWGBVVRZHNWDU-NEPJUHHUSA-N 1 3 214.353 1.663 20 0 BDADHO CN(Cc1ccc(N)nc1)CC1CC[NH+](C)CC1 ZINC000063121860 487856868 /nfs/dbraw/zinc/85/68/68/487856868.db2.gz PNTQSBDEHNUZLK-UHFFFAOYSA-N 1 3 248.374 1.437 20 0 BDADHO C[C@@H]1CN(CCCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000225064945 487876801 /nfs/dbraw/zinc/87/68/01/487876801.db2.gz CNFNVQLWTQCVTA-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000666826293 487886702 /nfs/dbraw/zinc/88/67/02/487886702.db2.gz UEQZNVLCUXMYKR-VXGBXAGGSA-N 1 3 234.343 1.737 20 0 BDADHO C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)C1CNC1 ZINC000844926638 645349871 /nfs/dbraw/zinc/34/98/71/645349871.db2.gz ZWOHHPCNPFDODU-LSJOCFKGSA-N 1 3 234.746 1.889 20 0 BDADHO C[C@@H](CC[NH3+])NCc1ccccc1-n1cncn1 ZINC000666831958 487888148 /nfs/dbraw/zinc/88/81/48/487888148.db2.gz QHMOKTNDWGHMRI-NSHDSACASA-N 1 3 245.330 1.094 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2c1NCC2 ZINC000566230029 322976676 /nfs/dbraw/zinc/97/66/76/322976676.db2.gz AAYVNGZHROHGDM-WDEREUQCSA-N 1 3 233.359 1.870 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000570638202 323065664 /nfs/dbraw/zinc/06/56/64/323065664.db2.gz NZNNEFSTVDZNMQ-XQHKEYJVSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000570962323 323101773 /nfs/dbraw/zinc/10/17/73/323101773.db2.gz WBRDUZLKUNWYTA-SECBINFHSA-N 1 3 235.331 1.060 20 0 BDADHO COCCC1CC[NH+](C2CCNCC2)CC1 ZINC000409431548 323133608 /nfs/dbraw/zinc/13/36/08/323133608.db2.gz SOLXIYXTQGXTNI-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO COCCC1CCN(C2CC[NH2+]CC2)CC1 ZINC000409431548 323133609 /nfs/dbraw/zinc/13/36/09/323133609.db2.gz SOLXIYXTQGXTNI-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1cnc(CCN[C@@H]2CCC[C@H]([NH3+])C2)nc1 ZINC000571418745 323144493 /nfs/dbraw/zinc/14/44/93/323144493.db2.gz YYRSEDXDRJNBTK-NWDGAFQWSA-N 1 3 234.347 1.187 20 0 BDADHO c1ccc(CNCCC[NH+]2CCC2)cc1 ZINC000306344808 323172826 /nfs/dbraw/zinc/17/28/26/323172826.db2.gz CZBIFTHTBQMLLU-UHFFFAOYSA-N 1 3 204.317 1.872 20 0 BDADHO Cc1nc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c(C)o1 ZINC000563735407 323176656 /nfs/dbraw/zinc/17/66/56/323176656.db2.gz ZOICIYVHKOPNGB-VXGBXAGGSA-N 1 3 237.347 1.693 20 0 BDADHO CC[C@@H](O)C[N@H+](C)CCCN1CCCC1 ZINC000532212506 323210119 /nfs/dbraw/zinc/21/01/19/323210119.db2.gz RTDUMFZGNGYUGN-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CC[C@@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC000532212506 323210120 /nfs/dbraw/zinc/21/01/20/323210120.db2.gz RTDUMFZGNGYUGN-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC12CC(C1)CO2 ZINC000530220306 323217851 /nfs/dbraw/zinc/21/78/51/323217851.db2.gz MUUGOQUBTGYSDG-QBHFIFKDSA-N 1 3 224.348 1.415 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@@H]2CCN(C)C[C@H]2C)C1 ZINC000532531148 323274059 /nfs/dbraw/zinc/27/40/59/323274059.db2.gz SBQRJQNMRXEMOI-MGPQQGTHSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@H]([NH3+])C1CCN(Cc2ccnc(N)c2)CC1 ZINC000572881081 323514298 /nfs/dbraw/zinc/51/42/98/323514298.db2.gz ZYVKMMUEUIMEJV-JTQLQIEISA-N 1 3 234.347 1.053 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@@H](C)C(C)(C)C)C[C@H]1CN ZINC000405865512 487961426 /nfs/dbraw/zinc/96/14/26/487961426.db2.gz PGEUASZDAUBGGH-JHJVBQTASA-N 1 3 242.407 1.964 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@@H](C)C(C)(C)C)C[C@H]1CN ZINC000405865512 487961430 /nfs/dbraw/zinc/96/14/30/487961430.db2.gz PGEUASZDAUBGGH-JHJVBQTASA-N 1 3 242.407 1.964 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000122601064 324050091 /nfs/dbraw/zinc/05/00/91/324050091.db2.gz JKSPJOMOMDJICK-UPJWGTAASA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@H](COC)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122601064 324050094 /nfs/dbraw/zinc/05/00/94/324050094.db2.gz JKSPJOMOMDJICK-UPJWGTAASA-N 1 3 228.380 1.874 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000225713836 324199779 /nfs/dbraw/zinc/19/97/79/324199779.db2.gz RCDDHLHRFCIKDH-IJLUTSLNSA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000225713836 324199783 /nfs/dbraw/zinc/19/97/83/324199783.db2.gz RCDDHLHRFCIKDH-IJLUTSLNSA-N 1 3 214.353 1.328 20 0 BDADHO CCO[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1CN ZINC000405891018 487963676 /nfs/dbraw/zinc/96/36/76/487963676.db2.gz XCDLWMZZIOLQIB-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1CN ZINC000405891018 487963682 /nfs/dbraw/zinc/96/36/82/487963682.db2.gz XCDLWMZZIOLQIB-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000253629476 325729756 /nfs/dbraw/zinc/72/97/56/325729756.db2.gz PUXUXUZWSPHCIN-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1cc[nH]c(=O)c1 ZINC000566688454 326074736 /nfs/dbraw/zinc/07/47/36/326074736.db2.gz ABFXRLVHTFSXAL-DLOVCJGASA-N 1 3 235.331 1.708 20 0 BDADHO CC(C)OC(=O)CCN1CCC(CC[NH3+])CC1 ZINC000568056892 326301361 /nfs/dbraw/zinc/30/13/61/326301361.db2.gz FQPPJSMVRLLWRO-UHFFFAOYSA-N 1 3 242.363 1.389 20 0 BDADHO C[NH2+]CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000568509544 326360978 /nfs/dbraw/zinc/36/09/78/326360978.db2.gz TUGOJRJOUUEECD-UHFFFAOYSA-N 1 3 249.358 1.088 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000568864489 326380005 /nfs/dbraw/zinc/38/00/05/326380005.db2.gz BGOBVPDEHHFTDY-GWCFXTLKSA-N 1 3 247.342 1.390 20 0 BDADHO CC(C)OCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000158923208 487983517 /nfs/dbraw/zinc/98/35/17/487983517.db2.gz GFRIAZFKXLIQTK-WDEREUQCSA-N 1 3 200.326 1.271 20 0 BDADHO CCN1CCN(c2cc[nH+]c(C)c2)C[C@@H]1C ZINC000681393059 488002513 /nfs/dbraw/zinc/00/25/13/488002513.db2.gz YQMVVCACOBYEBR-LBPRGKRZSA-N 1 3 219.332 1.920 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947026 488024009 /nfs/dbraw/zinc/02/40/09/488024009.db2.gz JMCCDHSNEDQKRE-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1COC(C)(C)C1 ZINC000659947026 488024012 /nfs/dbraw/zinc/02/40/12/488024012.db2.gz JMCCDHSNEDQKRE-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO CCN1CCC(N(C)C(=O)CC(C)(C)[NH3+])CC1 ZINC000084164484 488030853 /nfs/dbraw/zinc/03/08/53/488030853.db2.gz HIWDDSZEBUGVBF-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO C[NH2+]C[C@H](C)NC1CCC2(CCOCC2)CC1 ZINC000663508790 488055793 /nfs/dbraw/zinc/05/57/93/488055793.db2.gz DRUDLQXRVHNIQI-LBPRGKRZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](Cc1ccccn1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656200603 488066976 /nfs/dbraw/zinc/06/69/76/488066976.db2.gz AVZZTVMOFAAMJQ-SQPSOYEMSA-N 1 3 245.370 1.885 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000377390489 488071703 /nfs/dbraw/zinc/07/17/03/488071703.db2.gz JTOCPGXQEYMJIG-MGPQQGTHSA-N 1 3 240.391 1.706 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000377390489 488071708 /nfs/dbraw/zinc/07/17/08/488071708.db2.gz JTOCPGXQEYMJIG-MGPQQGTHSA-N 1 3 240.391 1.706 20 0 BDADHO C[NH+](C)[C@@H]1CCCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000377390489 488071711 /nfs/dbraw/zinc/07/17/11/488071711.db2.gz JTOCPGXQEYMJIG-MGPQQGTHSA-N 1 3 240.391 1.706 20 0 BDADHO C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000403611991 488129186 /nfs/dbraw/zinc/12/91/86/488129186.db2.gz IZHZVKGDEOHWLQ-DGTMBMJNSA-N 1 3 220.360 1.574 20 0 BDADHO CCC[NH+]1CCC(NC2([C@H](C)O)CC2)CC1 ZINC000668698365 488130388 /nfs/dbraw/zinc/13/03/88/488130388.db2.gz AVEGDFMUICKISW-NSHDSACASA-N 1 3 226.364 1.364 20 0 BDADHO C[N@H+](C[C@H](O)CN1CCC2(CC2)CC1)C1CC1 ZINC000685569974 487551450 /nfs/dbraw/zinc/55/14/50/487551450.db2.gz JIFQJFGOUOXJJO-ZDUSSCGKSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+](C[C@H](O)CN1CCC2(CC2)CC1)C1CC1 ZINC000685569974 487551453 /nfs/dbraw/zinc/55/14/53/487551453.db2.gz JIFQJFGOUOXJJO-ZDUSSCGKSA-N 1 3 238.375 1.318 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785263 487531614 /nfs/dbraw/zinc/53/16/14/487531614.db2.gz OZEINANGRPAZCA-MGPQQGTHSA-N 1 3 240.391 1.685 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000381082181 487495724 /nfs/dbraw/zinc/49/57/24/487495724.db2.gz RRCKWKSEGOMDKE-LBPRGKRZSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC(C)(C)C1 ZINC000381082181 487495727 /nfs/dbraw/zinc/49/57/27/487495727.db2.gz RRCKWKSEGOMDKE-LBPRGKRZSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H]1C ZINC000381101008 487497555 /nfs/dbraw/zinc/49/75/55/487497555.db2.gz XVRYJCMNNHOKJT-UPJWGTAASA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H]1C ZINC000381101008 487497556 /nfs/dbraw/zinc/49/75/56/487497556.db2.gz XVRYJCMNNHOKJT-UPJWGTAASA-N 1 3 228.380 1.418 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086403874 487500868 /nfs/dbraw/zinc/50/08/68/487500868.db2.gz PQTNUWWZXNPSCJ-VWYCJHECSA-N 1 3 200.326 1.128 20 0 BDADHO CN(C)C[C@@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000404903097 487518691 /nfs/dbraw/zinc/51/86/91/487518691.db2.gz XPUKFLICVUVQJH-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO CCc1nocc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000662274424 487522667 /nfs/dbraw/zinc/52/26/67/487522667.db2.gz UCUPZYREMNEPNT-UHFFFAOYSA-N 1 3 249.358 1.813 20 0 BDADHO COCC(C)(C)CN(C)CCC[NH+](C)C ZINC000685452049 487525487 /nfs/dbraw/zinc/52/54/87/487525487.db2.gz JHQAAOASJYUXID-UHFFFAOYSA-N 1 3 216.369 1.543 20 0 BDADHO CC[C@@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1N ZINC000157895035 487579458 /nfs/dbraw/zinc/57/94/58/487579458.db2.gz CDUMVBXKIJGCDL-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@H]1C[N@@H+](CC2CCOCC2)CC[C@@H]1N ZINC000157895035 487579462 /nfs/dbraw/zinc/57/94/62/487579462.db2.gz CDUMVBXKIJGCDL-OLZOCXBDSA-N 1 3 226.364 1.472 20 0 BDADHO CCOCCCN1CC[C@H]([NH3+])C[C@H]1C ZINC000250536333 487734215 /nfs/dbraw/zinc/73/42/15/487734215.db2.gz TVJQODNBKXKMBG-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO C[C@H](CCC[NH3+])NCc1nc2c(s1)CCC2 ZINC000666941487 487908950 /nfs/dbraw/zinc/90/89/50/487908950.db2.gz JMMOWVQRORZIME-SECBINFHSA-N 1 3 239.388 1.849 20 0 BDADHO NCCC[NH2+]CCCc1cccc(F)c1 ZINC000309521411 487985050 /nfs/dbraw/zinc/98/50/50/487985050.db2.gz BTGFORAXSUGMCS-UHFFFAOYSA-N 1 3 210.296 1.697 20 0 BDADHO [NH3+]CCCNCCCc1cccc(F)c1 ZINC000309521411 487985055 /nfs/dbraw/zinc/98/50/55/487985055.db2.gz BTGFORAXSUGMCS-UHFFFAOYSA-N 1 3 210.296 1.697 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222994992 488139506 /nfs/dbraw/zinc/13/95/06/488139506.db2.gz PQTNUWWZXNPSCJ-MXWKQRLJSA-N 1 3 200.326 1.128 20 0 BDADHO C(N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCCO1 ZINC000093451115 488155787 /nfs/dbraw/zinc/15/57/87/488155787.db2.gz YIWPBXNRFNDZNT-CRWXNKLISA-N 1 3 238.375 1.676 20 0 BDADHO Cc1cc(CNC2CCC([NH+](C)C)CC2)on1 ZINC000683890148 488237649 /nfs/dbraw/zinc/23/76/49/488237649.db2.gz LHPSIXSSWJXOSG-UHFFFAOYSA-N 1 3 237.347 1.945 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2C)C[C@H]1C ZINC000684579376 488328659 /nfs/dbraw/zinc/32/86/59/488328659.db2.gz JJWOBTLJKFNEGL-GFCCVEGCSA-N 1 3 219.332 1.920 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nccn1C ZINC000665282940 490096258 /nfs/dbraw/zinc/09/62/58/490096258.db2.gz FATXOVLDWNCYOY-QNWHQSFQSA-N 1 3 248.374 1.459 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nccn1C ZINC000665282942 490096293 /nfs/dbraw/zinc/09/62/93/490096293.db2.gz FATXOVLDWNCYOY-WUHRBBMRSA-N 1 3 248.374 1.459 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCCOC1)CN1CCCC1 ZINC000070014410 490197764 /nfs/dbraw/zinc/19/77/64/490197764.db2.gz SBQDHMBBGMFBIR-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](CN[C@H]1CCCOC1)C[NH+]1CCCC1 ZINC000070014410 490197770 /nfs/dbraw/zinc/19/77/70/490197770.db2.gz SBQDHMBBGMFBIR-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](NCCN1CCC(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400764518 533857602 /nfs/dbraw/zinc/85/76/02/533857602.db2.gz YZOCQUYGBWYLQV-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO CC(C)OCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000422762443 517449268 /nfs/dbraw/zinc/44/92/68/517449268.db2.gz NQMUMZUNQIOCHG-GHMZBOCLSA-N 1 3 202.342 1.517 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CCN1CCC[C@](C)(O)C1 ZINC000252727949 536353757 /nfs/dbraw/zinc/35/37/57/536353757.db2.gz TVGZXACRYXXBJO-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CCC[N@H+](CC)CCNC(=O)CN(C)C(C)C ZINC000174653008 527966183 /nfs/dbraw/zinc/96/61/83/527966183.db2.gz AZINWMGUCCELOV-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[N@@H+](CC)CCNC(=O)CN(C)C(C)C ZINC000174653008 527966187 /nfs/dbraw/zinc/96/61/87/527966187.db2.gz AZINWMGUCCELOV-UHFFFAOYSA-N 1 3 243.395 1.175 20 0 BDADHO CC(C)N(C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400551015 528824191 /nfs/dbraw/zinc/82/41/91/528824191.db2.gz XNPGPEOOHWBGTA-NEPJUHHUSA-N 1 3 213.369 1.057 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](C)OC)C1 ZINC000252714952 534957476 /nfs/dbraw/zinc/95/74/76/534957476.db2.gz UEARPKZPHJVKFD-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H](C)OC)C1 ZINC000252714952 534957483 /nfs/dbraw/zinc/95/74/83/534957483.db2.gz UEARPKZPHJVKFD-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H](C)OC)C1 ZINC000252714952 534957485 /nfs/dbraw/zinc/95/74/85/534957485.db2.gz UEARPKZPHJVKFD-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000261583539 535285200 /nfs/dbraw/zinc/28/52/00/535285200.db2.gz PCRBHLMIQRRLTR-JHJVBQTASA-N 1 3 228.380 1.501 20 0 BDADHO CC(C)(O)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250373233 535293207 /nfs/dbraw/zinc/29/32/07/535293207.db2.gz XGXUYAWSZFAZRK-NEPJUHHUSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@@H](C(=O)NCC1([NH3+])CCC1)N(CC)CC ZINC000342584578 535407597 /nfs/dbraw/zinc/40/75/97/535407597.db2.gz JOWIFLYZGOVSEE-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000261534284 535504212 /nfs/dbraw/zinc/50/42/12/535504212.db2.gz PJTXGJAXWGCHOK-GRYCIOLGSA-N 1 3 226.364 1.389 20 0 BDADHO CCN(CC)CCN[C@@H]1CCC[NH2+]CC1 ZINC000168699144 535540581 /nfs/dbraw/zinc/54/05/81/535540581.db2.gz DBDCUPYGPJHMMJ-GFCCVEGCSA-N 1 3 213.369 1.060 20 0 BDADHO CCOCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250565709 535551917 /nfs/dbraw/zinc/55/19/17/535551917.db2.gz VASQPDOOOQYKPS-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO CCOCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250565709 535551920 /nfs/dbraw/zinc/55/19/20/535551920.db2.gz VASQPDOOOQYKPS-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000348128885 535860125 /nfs/dbraw/zinc/86/01/25/535860125.db2.gz QNFHEFHYSIFJGI-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC000348128885 535860129 /nfs/dbraw/zinc/86/01/29/535860129.db2.gz QNFHEFHYSIFJGI-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@](C)(O)C1 ZINC000252727949 536353756 /nfs/dbraw/zinc/35/37/56/536353756.db2.gz TVGZXACRYXXBJO-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CCN(CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000334345229 536390636 /nfs/dbraw/zinc/39/06/36/536390636.db2.gz ONNYQXGNOKKHOO-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCN(CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000334345229 536390637 /nfs/dbraw/zinc/39/06/37/536390637.db2.gz ONNYQXGNOKKHOO-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000262022929 536646191 /nfs/dbraw/zinc/64/61/91/536646191.db2.gz YISXZRLPTDTBKF-JHJVBQTASA-N 1 3 226.364 1.519 20 0 BDADHO COc1ccccc1CCN[C@H]1CCC[NH2+]CC1 ZINC000230285235 537039569 /nfs/dbraw/zinc/03/95/69/537039569.db2.gz VOCNHGBFYDXYED-AWEZNQCLSA-N 1 3 248.370 1.969 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]CC23CC(C2)CN3)CCO1 ZINC000853245632 588728454 /nfs/dbraw/zinc/72/84/54/588728454.db2.gz AGZHWERSIRFLJO-NELGMTEASA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@@H]1C[C@H](CNCC23CC(C2)C[NH2+]3)CCO1 ZINC000853245632 588728455 /nfs/dbraw/zinc/72/84/55/588728455.db2.gz AGZHWERSIRFLJO-NELGMTEASA-N 1 3 238.375 1.533 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000854229306 588781074 /nfs/dbraw/zinc/78/10/74/588781074.db2.gz KRPXOVJBXNYWOJ-BSLXNSKLSA-N 1 3 246.354 1.882 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCC1SCCS1 ZINC000854231938 588781432 /nfs/dbraw/zinc/78/14/32/588781432.db2.gz POZWICSCLVWWAS-IUCAKERBSA-N 1 3 232.418 1.652 20 0 BDADHO C[C@H]1OCCN(CC2CC[NH+](C)CC2)[C@@H]1C ZINC000892048175 582772689 /nfs/dbraw/zinc/77/26/89/582772689.db2.gz IAZZORHYRIOUPK-VXGBXAGGSA-N 1 3 226.364 1.437 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CNc2ccncc2CO)C1 ZINC000892080322 582786711 /nfs/dbraw/zinc/78/67/11/582786711.db2.gz FHZBKDICHFKZNA-GFCCVEGCSA-N 1 3 249.358 1.138 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CNc2ccncc2CO)C1 ZINC000892080322 582786712 /nfs/dbraw/zinc/78/67/12/582786712.db2.gz FHZBKDICHFKZNA-GFCCVEGCSA-N 1 3 249.358 1.138 20 0 BDADHO C(C[C@H]1CCCCO1)[NH2+][C@H]1CCCNCC1 ZINC000223719596 582815629 /nfs/dbraw/zinc/81/56/29/582815629.db2.gz OSJCQVVNPUECAK-QWHCGFSZSA-N 1 3 226.364 1.677 20 0 BDADHO CC(C)CCNC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000848986686 582817904 /nfs/dbraw/zinc/81/79/04/582817904.db2.gz UKKZMEPTRMHVPM-LBPRGKRZSA-N 1 3 240.395 1.631 20 0 BDADHO Cc1cc(N)nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)n1 ZINC000892824430 582989577 /nfs/dbraw/zinc/98/95/77/582989577.db2.gz QQZLWCXUKHHJAR-QWRGUYRKSA-N 1 3 249.362 1.652 20 0 BDADHO CN(CCC[NH+]1CCCC1)c1ccncc1CO ZINC000893668594 583192571 /nfs/dbraw/zinc/19/25/71/583192571.db2.gz OBLGPDMWHREHML-UHFFFAOYSA-N 1 3 249.358 1.496 20 0 BDADHO CN(CC1CN(C)C1)c1cc(N)[nH+]cc1Cl ZINC000894540519 583480849 /nfs/dbraw/zinc/48/08/49/583480849.db2.gz LILRJTVVABARGR-UHFFFAOYSA-N 1 3 240.738 1.315 20 0 BDADHO C[C@H](NCC1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000894866622 583538018 /nfs/dbraw/zinc/53/80/18/583538018.db2.gz ZBNYFAPYLNPMBL-NSHDSACASA-N 1 3 236.363 1.413 20 0 BDADHO C[C@@H]1[C@@H](Nc2cc(N)[nH+]cc2Cl)CCN1C ZINC000895735478 583717408 /nfs/dbraw/zinc/71/74/08/583717408.db2.gz VHRJMETYYLUMRM-APPZFPTMSA-N 1 3 240.738 1.822 20 0 BDADHO Cc1cc(N2CCC([NH2+]C(C)C)CC2)nc(N)n1 ZINC000728710481 583905431 /nfs/dbraw/zinc/90/54/31/583905431.db2.gz YMHGSCXYVCKNAU-UHFFFAOYSA-N 1 3 249.362 1.334 20 0 BDADHO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccnc(CO)c2)C1 ZINC000858436736 588954790 /nfs/dbraw/zinc/95/47/90/588954790.db2.gz OPTIHRWNVYPXNI-RISCZKNCSA-N 1 3 249.358 1.859 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CCCCO2)C1 ZINC000902320736 584552409 /nfs/dbraw/zinc/55/24/09/584552409.db2.gz RYCKFRGJPKBROF-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@H](CCO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902335843 584564040 /nfs/dbraw/zinc/56/40/40/584564040.db2.gz CHJFDVCHYPMLCI-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO COC[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)OC ZINC000902369863 584566276 /nfs/dbraw/zinc/56/62/76/584566276.db2.gz MOXZNHBDRCLLON-RYUDHWBXSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@@H](CO)CCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902372663 584566596 /nfs/dbraw/zinc/56/65/96/584566596.db2.gz UHMPENNAXMWOIJ-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902374398 584567279 /nfs/dbraw/zinc/56/72/79/584567279.db2.gz LPFCSYRHSVIMRO-DIABFLQPSA-N 1 3 240.391 1.681 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000902375195 584568153 /nfs/dbraw/zinc/56/81/53/584568153.db2.gz BEYZXKSPEJYMED-YNEHKIRRSA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCC[C@H]2O)C1 ZINC000902375195 584568154 /nfs/dbraw/zinc/56/81/54/584568154.db2.gz BEYZXKSPEJYMED-YNEHKIRRSA-N 1 3 240.391 1.658 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000902377028 584568379 /nfs/dbraw/zinc/56/83/79/584568379.db2.gz PDVYUPIFVUCJFD-LBPRGKRZSA-N 1 3 240.391 1.517 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC2(CCO)CC2)C1 ZINC000902377028 584568380 /nfs/dbraw/zinc/56/83/80/584568380.db2.gz PDVYUPIFVUCJFD-LBPRGKRZSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@H](CCO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902360325 584571145 /nfs/dbraw/zinc/57/11/45/584571145.db2.gz KWDAMWGTGLKHTN-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902360325 584571146 /nfs/dbraw/zinc/57/11/46/584571146.db2.gz KWDAMWGTGLKHTN-GHMZBOCLSA-N 1 3 214.353 1.125 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCC[C@H]2O)C1 ZINC000902391069 584581719 /nfs/dbraw/zinc/58/17/19/584581719.db2.gz SLXQSDAKSNRHSY-IJLUTSLNSA-N 1 3 226.364 1.268 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000902391069 584581720 /nfs/dbraw/zinc/58/17/20/584581720.db2.gz SLXQSDAKSNRHSY-IJLUTSLNSA-N 1 3 226.364 1.268 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CC23CC3)C1 ZINC000902395139 584584790 /nfs/dbraw/zinc/58/47/90/584584790.db2.gz ZRUCSDWAILKVLT-MNOVXSKESA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)C1CC1 ZINC000902429783 584594873 /nfs/dbraw/zinc/59/48/73/584594873.db2.gz GYXGQXSRNHWYSU-UHTWSYAYSA-N 1 3 240.391 1.765 20 0 BDADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000902435279 584596483 /nfs/dbraw/zinc/59/64/83/584596483.db2.gz SHDZFZOHZRVFND-NWANDNLSSA-N 1 3 245.370 1.343 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436475 584596626 /nfs/dbraw/zinc/59/66/26/584596626.db2.gz YOTYBVWAEAJYLJ-GZZJDILISA-N 1 3 233.359 1.327 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC2(C)C)CN1C1CC1 ZINC000902448954 584605468 /nfs/dbraw/zinc/60/54/68/584605468.db2.gz KBLOOKQGZPZWDJ-NTZNESFSSA-N 1 3 237.391 1.199 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902450132 584606186 /nfs/dbraw/zinc/60/61/86/584606186.db2.gz RBJBHHNWCMXCGW-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@H]1CCOC1 ZINC000902450135 584606510 /nfs/dbraw/zinc/60/65/10/584606510.db2.gz RBTWNPYTVJQKSX-SDDRHHMPSA-N 1 3 226.364 1.389 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452864 584608128 /nfs/dbraw/zinc/60/81/28/584608128.db2.gz MTGRGFATDMFNEI-ANJQRKRZSA-N 1 3 234.343 1.022 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452864 584608130 /nfs/dbraw/zinc/60/81/30/584608130.db2.gz MTGRGFATDMFNEI-ANJQRKRZSA-N 1 3 234.343 1.022 20 0 BDADHO C[C@H](NCCN1CCC(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000902454170 584608840 /nfs/dbraw/zinc/60/88/40/584608840.db2.gz GPPIJCZPZFFECV-STQMWFEESA-N 1 3 239.407 1.448 20 0 BDADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1cncs1 ZINC000902454474 584608952 /nfs/dbraw/zinc/60/89/52/584608952.db2.gz HWIOAYFIDOOZPK-NXEZZACHSA-N 1 3 243.376 1.548 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CCC(C)(C)C1 ZINC000902455125 584609322 /nfs/dbraw/zinc/60/93/22/584609322.db2.gz JDVWRVXEMIYSNY-VXGBXAGGSA-N 1 3 227.396 1.434 20 0 BDADHO C1=CCC[C@@H](CN[C@@H]2C[NH2+]CCOC2)CCC1 ZINC000902457997 584610007 /nfs/dbraw/zinc/61/00/07/584610007.db2.gz WILTUABZJACHAE-ZIAGYGMSSA-N 1 3 238.375 1.701 20 0 BDADHO CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000902457009 584610243 /nfs/dbraw/zinc/61/02/43/584610243.db2.gz RQKOVOFPVBSZSZ-NWDGAFQWSA-N 1 3 225.380 1.188 20 0 BDADHO CC1(C)CCN(CC[NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000902457011 584610527 /nfs/dbraw/zinc/61/05/27/584610527.db2.gz RQKOVOFPVBSZSZ-RYUDHWBXSA-N 1 3 225.380 1.188 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902466909 584614516 /nfs/dbraw/zinc/61/45/16/584614516.db2.gz ORHZDBKDPSJOPQ-CKIKVBCHSA-N 1 3 224.348 1.427 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@@H]1CCCCCN1 ZINC000902481228 584622938 /nfs/dbraw/zinc/62/29/38/584622938.db2.gz BSLYEXUGNYJZGO-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO CC[C@H](NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CCOC1 ZINC000902482473 584624250 /nfs/dbraw/zinc/62/42/50/584624250.db2.gz LPNUVOPDUOEEKB-RDBSUJKOSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H]1CCCCCN1)C(C)C ZINC000902482983 584624336 /nfs/dbraw/zinc/62/43/36/584624336.db2.gz OHYMQLZCYSYTDU-QWHCGFSZSA-N 1 3 228.380 1.779 20 0 BDADHO Cc1cc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)nn1C ZINC000902485716 584625459 /nfs/dbraw/zinc/62/54/59/584625459.db2.gz MYLQRUUNSDZLIJ-GMTAPVOTSA-N 1 3 222.336 1.116 20 0 BDADHO COC[C@H](CCC[NH3+])NC/C=C/Cl ZINC000902517977 584630249 /nfs/dbraw/zinc/63/02/49/584630249.db2.gz JNTRJKABXSEWSA-SGRBOOSSSA-N 1 3 206.717 1.082 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902517015 584630393 /nfs/dbraw/zinc/63/03/93/584630393.db2.gz GCGMTLMIKICLBZ-NMFUWQPSSA-N 1 3 246.354 1.362 20 0 BDADHO C[C@H]1NCCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902518473 584630901 /nfs/dbraw/zinc/63/09/01/584630901.db2.gz LORNUGCUWMGXBQ-JUDXGUMMSA-N 1 3 246.354 1.375 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902521416 584631211 /nfs/dbraw/zinc/63/12/11/584631211.db2.gz SOJURVIYBDHFEG-RNJOBUHISA-N 1 3 224.348 1.128 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1COC[C@@H]1C1CC1 ZINC000902522109 584632146 /nfs/dbraw/zinc/63/21/46/584632146.db2.gz WKDCMRFKUZVPPI-MQYQWHSLSA-N 1 3 238.375 1.661 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCN2C)[C@H](C)C1 ZINC000903321606 584746787 /nfs/dbraw/zinc/74/67/87/584746787.db2.gz AXOQWOHIYNEDNS-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@H]2CCN2C)[C@H](C)C1 ZINC000903321606 584746788 /nfs/dbraw/zinc/74/67/88/584746788.db2.gz AXOQWOHIYNEDNS-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO CN1CC[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000903324043 584747400 /nfs/dbraw/zinc/74/74/00/584747400.db2.gz UDKWVXYFPSTWJA-ZDUSSCGKSA-N 1 3 239.407 1.543 20 0 BDADHO CN1CC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000903324043 584747401 /nfs/dbraw/zinc/74/74/01/584747401.db2.gz UDKWVXYFPSTWJA-ZDUSSCGKSA-N 1 3 239.407 1.543 20 0 BDADHO c1ccc2c(c1)CNCCN2C[C@H]1CCC[NH2+]1 ZINC000903422438 584764513 /nfs/dbraw/zinc/76/45/13/584764513.db2.gz CSVHNHFFRIPYIL-CYBMUJFWSA-N 1 3 231.343 1.348 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903470219 584774917 /nfs/dbraw/zinc/77/49/17/584774917.db2.gz IGCBQVWQPVZDEE-GFCCVEGCSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)[C@@H](C)CN1C ZINC000903752434 584795317 /nfs/dbraw/zinc/79/53/17/584795317.db2.gz NVSLYWLYIMTIPO-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO CN(CCCF)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783825 584800380 /nfs/dbraw/zinc/80/03/80/584800380.db2.gz DZQQALHCGZOBTO-GFCCVEGCSA-N 1 3 244.354 1.437 20 0 BDADHO NC[C@]12CC[C@H]1CCC[N@@H+]2CCc1cccnc1 ZINC000903798469 584801476 /nfs/dbraw/zinc/80/14/76/584801476.db2.gz NNRIXSRDVNFDSY-HUUCEWRRSA-N 1 3 245.370 1.827 20 0 BDADHO NC[C@]12CC[C@H]1CCC[N@H+]2CCc1cccnc1 ZINC000903798469 584801477 /nfs/dbraw/zinc/80/14/77/584801477.db2.gz NNRIXSRDVNFDSY-HUUCEWRRSA-N 1 3 245.370 1.827 20 0 BDADHO Cn1cncc1CC[N@@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903802965 584802240 /nfs/dbraw/zinc/80/22/40/584802240.db2.gz UTSNAZIXXHOKLO-TZMCWYRMSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CCC[C@@H]2CC[C@@]21CN ZINC000903802965 584802242 /nfs/dbraw/zinc/80/22/42/584802242.db2.gz UTSNAZIXXHOKLO-TZMCWYRMSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1nccc1CC[N@@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903804396 584802726 /nfs/dbraw/zinc/80/27/26/584802726.db2.gz FFYOQWZLZSQWQK-GXTWGEPZSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1nccc1CC[N@H+]1CCC[C@H]2CC[C@@]21CN ZINC000903804396 584802727 /nfs/dbraw/zinc/80/27/27/584802727.db2.gz FFYOQWZLZSQWQK-GXTWGEPZSA-N 1 3 248.374 1.166 20 0 BDADHO CNCCC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000903825603 584804640 /nfs/dbraw/zinc/80/46/40/584804640.db2.gz ARFOAYRFLVPDON-RQJABVFESA-N 1 3 222.376 1.964 20 0 BDADHO CNCCC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000903825603 584804641 /nfs/dbraw/zinc/80/46/41/584804641.db2.gz ARFOAYRFLVPDON-RQJABVFESA-N 1 3 222.376 1.964 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC000903838265 584806457 /nfs/dbraw/zinc/80/64/57/584806457.db2.gz AWPCUMPWGGZNDB-HPCHECBXSA-N 1 3 236.359 1.225 20 0 BDADHO N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[C@]13CCOC3)C2 ZINC000903838265 584806459 /nfs/dbraw/zinc/80/64/59/584806459.db2.gz AWPCUMPWGGZNDB-HPCHECBXSA-N 1 3 236.359 1.225 20 0 BDADHO COCCCCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903854465 584809301 /nfs/dbraw/zinc/80/93/01/584809301.db2.gz JGMCJHAQCLKYDG-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO CCC[C@@](C)(CO)NC[C@H]([NH3+])CC(F)F ZINC000903898364 584820107 /nfs/dbraw/zinc/82/01/07/584820107.db2.gz KHODSSBXUOZEMZ-SCZZXKLOSA-N 1 3 224.295 1.110 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]CCC(C)(C)N)CCO1 ZINC000903939181 584822864 /nfs/dbraw/zinc/82/28/64/584822864.db2.gz SXZKUJBQOHUALU-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+][C@@H](CNCCc1cccs1)CC(F)F ZINC000903925461 584823458 /nfs/dbraw/zinc/82/34/58/584823458.db2.gz NGRYBBQBNCIYAV-MRVPVSSYSA-N 1 3 234.315 1.863 20 0 BDADHO CC[C@@H](C)NCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903925836 584823745 /nfs/dbraw/zinc/82/37/45/584823745.db2.gz HSRLMXPPVXWRKV-GHMZBOCLSA-N 1 3 237.351 1.091 20 0 BDADHO CC(C)OCC(C)(C)NC[C@@H]([NH3+])CC(F)F ZINC000903929385 584824170 /nfs/dbraw/zinc/82/41/70/584824170.db2.gz DDONSUHMBXWSGT-VIFPVBQESA-N 1 3 238.322 1.762 20 0 BDADHO Cc1c(C[C@H](C[NH3+])CN[C@H]2C=CCC2)cnn1C ZINC000903933317 584824973 /nfs/dbraw/zinc/82/49/73/584824973.db2.gz OVBURYZDIWQIQE-OCCSQVGLSA-N 1 3 248.374 1.154 20 0 BDADHO N[C@H](C[NH2+][C@@H]1CCCC[C@@H]1F)CC(F)F ZINC000903934252 584825679 /nfs/dbraw/zinc/82/56/79/584825679.db2.gz FMIDGDLWBPFEPB-XHNCKOQMSA-N 1 3 224.270 1.839 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]([NH3+])CC(F)F)[C@H](C)O1 ZINC000903935047 584825866 /nfs/dbraw/zinc/82/58/66/584825866.db2.gz LGWAMXBTZZJJEL-XGEHTFHBSA-N 1 3 222.279 1.124 20 0 BDADHO COC[C@@H](C)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903959907 584827569 /nfs/dbraw/zinc/82/75/69/584827569.db2.gz RPMCFGJTLHBBJR-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CC[N@H+](C[C@@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000904310018 584862992 /nfs/dbraw/zinc/86/29/92/584862992.db2.gz UVZBZHNELGPPLF-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CC[N@@H+](C[C@@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000904310018 584862993 /nfs/dbraw/zinc/86/29/93/584862993.db2.gz UVZBZHNELGPPLF-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@H+](CCO)C1CCC1 ZINC000904345765 584868135 /nfs/dbraw/zinc/86/81/35/584868135.db2.gz MYHBVZMMZCOCQL-LBPRGKRZSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)(C)CC[C@H](N)C[N@@H+](CCO)C1CCC1 ZINC000904345765 584868136 /nfs/dbraw/zinc/86/81/36/584868136.db2.gz MYHBVZMMZCOCQL-LBPRGKRZSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@]1(CNC[C@H](N)c2ccccc2)CCC[NH2+]C1 ZINC000904353200 584869993 /nfs/dbraw/zinc/86/99/93/584869993.db2.gz IJZZDTAEQAQDBO-GJZGRUSLSA-N 1 3 247.386 1.666 20 0 BDADHO C[C@@H](CCCC[NH3+])NCc1nccn1C1CC1 ZINC000904356001 584871513 /nfs/dbraw/zinc/87/15/13/584871513.db2.gz ZHXAZDHVIDEDNI-NSHDSACASA-N 1 3 236.363 1.825 20 0 BDADHO CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)c2ccccc2C1 ZINC000904369047 584872652 /nfs/dbraw/zinc/87/26/52/584872652.db2.gz QNKMETKUNVSVPH-XBXGTLAGSA-N 1 3 245.370 1.676 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)NC1CC(C[NH3+])C1 ZINC000904368243 584872831 /nfs/dbraw/zinc/87/28/31/584872831.db2.gz OXKPVOYHTHMEDR-MFAVDMRSSA-N 1 3 222.336 1.116 20 0 BDADHO C[NH+](C)C1CCC(NCc2ccc(N)nn2)CC1 ZINC000904373170 584873882 /nfs/dbraw/zinc/87/38/82/584873882.db2.gz MBSZBZTYAPBPNY-UHFFFAOYSA-N 1 3 249.362 1.021 20 0 BDADHO [NH3+][C@H]1C[C@@H](CNCc2ccc(F)cc2F)C1 ZINC000904364632 584874868 /nfs/dbraw/zinc/87/48/68/584874868.db2.gz ZUSFTAJSMQKYBR-DKTWLAJQSA-N 1 3 226.270 1.792 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412929 584879844 /nfs/dbraw/zinc/87/98/44/584879844.db2.gz ZKDVZUGUQGZCPL-PWSUYJOCSA-N 1 3 249.358 1.512 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000904412929 584879845 /nfs/dbraw/zinc/87/98/45/584879845.db2.gz ZKDVZUGUQGZCPL-PWSUYJOCSA-N 1 3 249.358 1.512 20 0 BDADHO CC[C@H]1C[C@H](CN2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000904415551 584880377 /nfs/dbraw/zinc/88/03/77/584880377.db2.gz RESPPVNJCSEIKK-FVCCEPFGSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H](CN[C@H]1C[NH2+]CC[C@H]1C)N1CCCCC1 ZINC000817913147 584991219 /nfs/dbraw/zinc/99/12/19/584991219.db2.gz FYRULMNWGPEFRZ-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO CC[C@@H](NCCN1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817914157 584991229 /nfs/dbraw/zinc/99/12/29/584991229.db2.gz UKRBKMCJWHDPAS-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO CC(C)[NH+]1CCC(N(C)C[C@H](O)C2CC2)CC1 ZINC000838813877 585071115 /nfs/dbraw/zinc/07/11/15/585071115.db2.gz DZXMVUYUHLXBAH-AWEZNQCLSA-N 1 3 240.391 1.562 20 0 BDADHO O[C@@H](C[N@@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000838853719 585075050 /nfs/dbraw/zinc/07/50/50/585075050.db2.gz NHUNUQCBPCYMHJ-OCCSQVGLSA-N 1 3 238.375 1.175 20 0 BDADHO O[C@@H](C[N@H+]1CC[C@H](CN2CCCC2)C1)C1CC1 ZINC000838853719 585075051 /nfs/dbraw/zinc/07/50/51/585075051.db2.gz NHUNUQCBPCYMHJ-OCCSQVGLSA-N 1 3 238.375 1.175 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C2CC2)C[C@H]1C ZINC000838863811 585075866 /nfs/dbraw/zinc/07/58/66/585075866.db2.gz QCQZZJACCVALTD-KWCYVHTRSA-N 1 3 240.391 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)C2CC2)C[C@H]1C ZINC000838863811 585075867 /nfs/dbraw/zinc/07/58/67/585075867.db2.gz QCQZZJACCVALTD-KWCYVHTRSA-N 1 3 240.391 1.562 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838864221 585075952 /nfs/dbraw/zinc/07/59/52/585075952.db2.gz GXFOKTDAYLNRTP-JSGCOSHPSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)C2CC2)C1 ZINC000838864221 585075953 /nfs/dbraw/zinc/07/59/53/585075953.db2.gz GXFOKTDAYLNRTP-JSGCOSHPSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838864221 585075954 /nfs/dbraw/zinc/07/59/54/585075954.db2.gz GXFOKTDAYLNRTP-JSGCOSHPSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838864221 585075955 /nfs/dbraw/zinc/07/59/55/585075955.db2.gz GXFOKTDAYLNRTP-JSGCOSHPSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H]1[C@H](C)N(CC[NH+]2CCCC2)CCN1C ZINC000771458170 585594817 /nfs/dbraw/zinc/59/48/17/585594817.db2.gz CZBPWWOVAGVOTF-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)CCO)CN1CCCC1 ZINC000779340697 585751878 /nfs/dbraw/zinc/75/18/78/585751878.db2.gz IZTPHCWBQQQRSB-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](CN[C@@H](C)CCO)C[NH+]1CCCC1 ZINC000779340697 585751879 /nfs/dbraw/zinc/75/18/79/585751879.db2.gz IZTPHCWBQQQRSB-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779393283 585753019 /nfs/dbraw/zinc/75/30/19/585753019.db2.gz RCYUWICCVGJMTL-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779411698 585753924 /nfs/dbraw/zinc/75/39/24/585753924.db2.gz GPKLMHJNPRJDIE-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H](C)CCO)C1 ZINC000779411698 585753925 /nfs/dbraw/zinc/75/39/25/585753925.db2.gz GPKLMHJNPRJDIE-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)CCO)C1 ZINC000779411698 585753926 /nfs/dbraw/zinc/75/39/26/585753926.db2.gz GPKLMHJNPRJDIE-KBPBESRZSA-N 1 3 242.407 1.715 20 0 BDADHO CCc1cc(CN[C@@H]2CCCC[C@H]2C[NH3+])n[nH]1 ZINC000817893770 586833557 /nfs/dbraw/zinc/83/35/57/586833557.db2.gz VMWFPFLUSFWZLN-GXFFZTMASA-N 1 3 236.363 1.579 20 0 BDADHO CSC(C)(C)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000817897904 586834883 /nfs/dbraw/zinc/83/48/83/586834883.db2.gz APFOJIYTDNICAK-UWVGGRQHSA-N 1 3 216.394 1.716 20 0 BDADHO CSC(C)(C)CN[C@H]1CCC[C@H]1[NH3+] ZINC000817898217 586834917 /nfs/dbraw/zinc/83/49/17/586834917.db2.gz CIRWURWZUWGVEW-BDAKNGLRSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc(Cl)nc1 ZINC000817902297 586835678 /nfs/dbraw/zinc/83/56/78/586835678.db2.gz MUMQQADOZOMEAO-NXEZZACHSA-N 1 3 241.766 1.993 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1ccc(Cl)nc1 ZINC000817902297 586835681 /nfs/dbraw/zinc/83/56/81/586835681.db2.gz MUMQQADOZOMEAO-NXEZZACHSA-N 1 3 241.766 1.993 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNc1ccccc1 ZINC000817901951 586836344 /nfs/dbraw/zinc/83/63/44/586836344.db2.gz ZXHWQUMTVHPZMX-JSGCOSHPSA-N 1 3 233.359 1.816 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccc1 ZINC000817901951 586836346 /nfs/dbraw/zinc/83/63/46/586836346.db2.gz ZXHWQUMTVHPZMX-JSGCOSHPSA-N 1 3 233.359 1.816 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000817906035 586836796 /nfs/dbraw/zinc/83/67/96/586836796.db2.gz SFEIRYYYQINATM-VWYCJHECSA-N 1 3 202.342 1.109 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000817904124 586837078 /nfs/dbraw/zinc/83/70/78/586837078.db2.gz UZBGNCXUQDINIC-FRRDWIJNSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)C[C@H](O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000817904124 586837081 /nfs/dbraw/zinc/83/70/81/586837081.db2.gz UZBGNCXUQDINIC-FRRDWIJNSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@H](NCCN1CCC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000817912345 586837828 /nfs/dbraw/zinc/83/78/28/586837828.db2.gz GJFOLGAYJMAQTG-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@](C)(O)c1cccs1 ZINC000817911455 586837979 /nfs/dbraw/zinc/83/79/79/586837979.db2.gz AQSAXXHTWJWXEY-UMNHJUIQSA-N 1 3 242.388 1.671 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N1CCCCC1 ZINC000817914680 586839448 /nfs/dbraw/zinc/83/94/48/586839448.db2.gz XZHMNPLVIGGMNQ-FRRDWIJNSA-N 1 3 225.380 1.330 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1N)c1cccs1 ZINC000817913291 586839474 /nfs/dbraw/zinc/83/94/74/586839474.db2.gz NHBALKMMAQCTAH-NHCYSSNCSA-N 1 3 240.372 1.425 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@]1(O)CCc2ccccc21 ZINC000817916166 586839598 /nfs/dbraw/zinc/83/95/98/586839598.db2.gz AOHBZBWOKUJDIZ-SLEUVZQESA-N 1 3 248.370 1.536 20 0 BDADHO C[C@@H]1CCCN1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913653 586839831 /nfs/dbraw/zinc/83/98/31/586839831.db2.gz PNMXYOWBRRLMLB-MGPQQGTHSA-N 1 3 239.407 1.448 20 0 BDADHO Cn1nccc1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000817922487 586840726 /nfs/dbraw/zinc/84/07/26/586840726.db2.gz HONCEZPOKZNKPN-CHWSQXEVSA-N 1 3 236.363 1.212 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817926496 586841541 /nfs/dbraw/zinc/84/15/41/586841541.db2.gz KHCJXEGVNGCJLB-ZNMIVQPWSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000817930568 586842304 /nfs/dbraw/zinc/84/23/04/586842304.db2.gz DBUCYVSLWLYWLY-ZJQBRPOHSA-N 1 3 236.359 1.824 20 0 BDADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000817933174 586843642 /nfs/dbraw/zinc/84/36/42/586843642.db2.gz ZASUEEXGKZYIRX-RBSFLKMASA-N 1 3 248.370 1.806 20 0 BDADHO CCC[NH2+]CCNC1CCC2(CC1)OCCO2 ZINC000817963033 586853109 /nfs/dbraw/zinc/85/31/09/586853109.db2.gz QWKKYOXSOINDKU-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000818954101 586917620 /nfs/dbraw/zinc/91/76/20/586917620.db2.gz SIUKTHBTWBUDDN-OAHLLOKOSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820803412 587072779 /nfs/dbraw/zinc/07/27/79/587072779.db2.gz SSRQAYXQLQGSOR-FZMOHWGLSA-N 1 3 224.348 1.115 20 0 BDADHO C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820803412 587072780 /nfs/dbraw/zinc/07/27/80/587072780.db2.gz SSRQAYXQLQGSOR-FZMOHWGLSA-N 1 3 224.348 1.115 20 0 BDADHO N[C@H](CNC(=O)CCCCC[NH3+])c1ccccc1 ZINC000832618568 587670306 /nfs/dbraw/zinc/67/03/06/587670306.db2.gz ADEWFNJUTBCZNU-CYBMUJFWSA-N 1 3 249.358 1.322 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000834821893 587767759 /nfs/dbraw/zinc/76/77/59/587767759.db2.gz UQFGRHXDDYPCMF-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO CCCCCCN(C)CC(=O)NC[C@H]([NH3+])CC ZINC000834826239 587767916 /nfs/dbraw/zinc/76/79/16/587767916.db2.gz KWFBJQVIXOOQPQ-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO NCc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000834861523 587768869 /nfs/dbraw/zinc/76/88/69/587768869.db2.gz JDMCHPRZMSQVJY-YPMHNXCESA-N 1 3 247.342 1.003 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000841031462 587936386 /nfs/dbraw/zinc/93/63/86/587936386.db2.gz UTURVNBXKVFALF-KXUCPTDWSA-N 1 3 246.445 1.693 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCCNCC2)CCO1 ZINC000841057129 587940255 /nfs/dbraw/zinc/94/02/55/587940255.db2.gz ILTKIMOAJSQPFK-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](CN)[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000841063571 587941460 /nfs/dbraw/zinc/94/14/60/587941460.db2.gz NPUHGECHVNEPJA-JTQLQIEISA-N 1 3 247.342 1.016 20 0 BDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1nccs1 ZINC000841075221 587943509 /nfs/dbraw/zinc/94/35/09/587943509.db2.gz YTBXZKKEMHVSIU-GJYTXDDASA-N 1 3 237.372 1.749 20 0 BDADHO C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@@H]1CCCOC1 ZINC000841089275 587945682 /nfs/dbraw/zinc/94/56/82/587945682.db2.gz KPKRPTQIWAVILI-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO CNC(=O)[C@H]1CCCN1CCCCCCC[NH3+] ZINC000842471853 588028767 /nfs/dbraw/zinc/02/87/67/588028767.db2.gz DDVMOHRCCOPJOA-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H](NCCCCCC[NH3+])c1ccc(=O)[nH]n1 ZINC000843341212 588101102 /nfs/dbraw/zinc/10/11/02/588101102.db2.gz HKYYWQJBICQPKI-SNVBAGLBSA-N 1 3 238.335 1.352 20 0 BDADHO CN(CCOCC[NH3+])CCc1ccccc1F ZINC000843358834 588103566 /nfs/dbraw/zinc/10/35/66/588103566.db2.gz UDDPBVYWZGVVBX-UHFFFAOYSA-N 1 3 240.322 1.275 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(CN)c1 ZINC000846744355 588284417 /nfs/dbraw/zinc/28/44/17/588284417.db2.gz YXTYAPAIKVECBS-ZWNOBZJWSA-N 1 3 247.342 1.097 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000848716964 588407791 /nfs/dbraw/zinc/40/77/91/588407791.db2.gz PFFBBGXBFUEPRP-KCQAQPDRSA-N 1 3 248.370 1.888 20 0 BDADHO CN(C)CC(C)(C)CNC(=[NH2+])NC1CCC1 ZINC000848980918 588423577 /nfs/dbraw/zinc/42/35/77/588423577.db2.gz KNEBWYJHTIYAIC-UHFFFAOYSA-N 1 3 226.368 1.241 20 0 BDADHO C[C@H]1CCN(CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000849004583 588431473 /nfs/dbraw/zinc/43/14/73/588431473.db2.gz PVRPKPHYFXXDLA-NSHDSACASA-N 1 3 247.346 1.360 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771945 588626027 /nfs/dbraw/zinc/62/60/27/588626027.db2.gz SKPKXJSDRRZANG-NWDGAFQWSA-N 1 3 242.363 1.021 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000851771945 588626028 /nfs/dbraw/zinc/62/60/28/588626028.db2.gz SKPKXJSDRRZANG-NWDGAFQWSA-N 1 3 242.363 1.021 20 0 BDADHO [NH3+]C[C@H](NCCOC(F)F)C1CCCCC1 ZINC000852749995 588699877 /nfs/dbraw/zinc/69/98/77/588699877.db2.gz KMXQKOHVRKUIBK-JTQLQIEISA-N 1 3 236.306 1.723 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CCC23CCOCC3)C[NH2+]1 ZINC000863548500 589298600 /nfs/dbraw/zinc/29/86/00/589298600.db2.gz YIICMUKXWPJZTG-AGIUHOORSA-N 1 3 238.375 1.676 20 0 BDADHO [NH3+]C[C@H]1CCCN(CC2=CCCOC2)C1 ZINC000863642093 589305938 /nfs/dbraw/zinc/30/59/38/589305938.db2.gz PYPKAKDXAYDHAP-LLVKDONJSA-N 1 3 210.321 1.004 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCNC12CCC2 ZINC000863644079 589307039 /nfs/dbraw/zinc/30/70/39/589307039.db2.gz JIRCUDKJNPNGLY-QWRGUYRKSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCN1CCCCCC1 ZINC000864453644 589366140 /nfs/dbraw/zinc/36/61/40/589366140.db2.gz YHUWYSPFLGHKCW-NEPJUHHUSA-N 1 3 238.379 1.385 20 0 BDADHO CN1CCC[C@@H](CNC(=[NH2+])NCCC2CC2)C1 ZINC000864458986 589368386 /nfs/dbraw/zinc/36/83/86/589368386.db2.gz XQDSRMQPFCBMCS-LBPRGKRZSA-N 1 3 238.379 1.242 20 0 BDADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCN1CCCC1(C)C ZINC000864465673 589370975 /nfs/dbraw/zinc/37/09/75/589370975.db2.gz BLBTWITYUYJNLT-MNOVXSKESA-N 1 3 238.379 1.383 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864468187 589372270 /nfs/dbraw/zinc/37/22/70/589372270.db2.gz GOWLVNFYNZUXDC-SRVKXCTJSA-N 1 3 238.379 1.383 20 0 BDADHO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)ccn1 ZINC000866206662 589480148 /nfs/dbraw/zinc/48/01/48/589480148.db2.gz FHIMKCTUQNIHBA-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO Cc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)ccn1 ZINC000866206662 589480149 /nfs/dbraw/zinc/48/01/49/589480149.db2.gz FHIMKCTUQNIHBA-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000866665092 589509464 /nfs/dbraw/zinc/50/94/64/589509464.db2.gz SPAMCXRPFUWDTO-MJBXVCDLSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000866665092 589509465 /nfs/dbraw/zinc/50/94/65/589509465.db2.gz SPAMCXRPFUWDTO-MJBXVCDLSA-N 1 3 238.375 1.487 20 0 BDADHO [NH3+][C@@]12CCC[C@H]1CN(CCCC1CC1)C2 ZINC000866668685 589510140 /nfs/dbraw/zinc/51/01/40/589510140.db2.gz ICXIQMNESWLGRH-QWHCGFSZSA-N 1 3 208.349 1.990 20 0 BDADHO C[C@H]1CN(Cc2ccc3c(c2)COC3)C[C@H]1C[NH3+] ZINC000866673171 589510648 /nfs/dbraw/zinc/51/06/48/589510648.db2.gz WZOCDNZKKNDHIU-XHDPSFHLSA-N 1 3 246.354 1.743 20 0 BDADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)[C@H]1CC[NH2+]1 ZINC000867987166 589542702 /nfs/dbraw/zinc/54/27/02/589542702.db2.gz HWNSNVIGODYQCK-ZYHUDNBSSA-N 1 3 245.326 1.174 20 0 BDADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)CC[NH3+] ZINC000867988371 589542773 /nfs/dbraw/zinc/54/27/73/589542773.db2.gz KXLSMJFPWBNKMW-GFCCVEGCSA-N 1 3 233.315 1.160 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H]1CCCOC1 ZINC000872073523 589864756 /nfs/dbraw/zinc/86/47/56/589864756.db2.gz QINMHNYYHZHVOY-IHRRRGAJSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@@H]1CCCOC1 ZINC000872073525 589864876 /nfs/dbraw/zinc/86/48/76/589864876.db2.gz QINMHNYYHZHVOY-MCIONIFRSA-N 1 3 242.407 1.979 20 0 BDADHO COCCC1([NH2+]Cc2ccccc2)CCNCC1 ZINC000873223283 589999639 /nfs/dbraw/zinc/99/96/39/589999639.db2.gz MMRXPQHMXQIZPM-UHFFFAOYSA-N 1 3 248.370 1.935 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234144 590004099 /nfs/dbraw/zinc/00/40/99/590004099.db2.gz CSVIIDYNGVWPON-FRRDWIJNSA-N 1 3 239.407 1.304 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCC[C@H]1CCCS1 ZINC000873243464 590006573 /nfs/dbraw/zinc/00/65/73/590006573.db2.gz LLKNSWRKZQYJNR-IJLUTSLNSA-N 1 3 228.405 1.860 20 0 BDADHO CC[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873251340 590008006 /nfs/dbraw/zinc/00/80/06/590008006.db2.gz LFNOQPXQIJTXDV-AXFHLTTASA-N 1 3 222.336 1.198 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cn1 ZINC000873250663 590008397 /nfs/dbraw/zinc/00/83/97/590008397.db2.gz IKWWDNKJBKHMBP-ATZCPNFKSA-N 1 3 223.295 1.609 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCC1CC1 ZINC000873253552 590009357 /nfs/dbraw/zinc/00/93/57/590009357.db2.gz ZBBFMLKVBNNHGB-IACUBPJLSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]1C[C@H](NC[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255897 590010814 /nfs/dbraw/zinc/01/08/14/590010814.db2.gz KDZFXTJOGXDJIV-NAKRPEOUSA-N 1 3 220.320 1.216 20 0 BDADHO Nc1cc(F)cc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000873288910 590022434 /nfs/dbraw/zinc/02/24/34/590022434.db2.gz CGGPXGNYYOJYLR-GWCFXTLKSA-N 1 3 237.322 1.625 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1C[C@H](O)C1 ZINC000873297304 590025417 /nfs/dbraw/zinc/02/54/17/590025417.db2.gz VYBJOPOJFOHHOG-MXAVVETBSA-N 1 3 248.370 1.305 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000877105849 590284925 /nfs/dbraw/zinc/28/49/25/590284925.db2.gz SLEZGYNUIXTJCW-PWSUYJOCSA-N 1 3 241.379 1.090 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000877106909 590285422 /nfs/dbraw/zinc/28/54/22/590285422.db2.gz XVPCRJZSPYHYSE-ZWNOBZJWSA-N 1 3 247.342 1.027 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(CC3(C)CC3)CC[C@@H]21 ZINC000877738228 590405343 /nfs/dbraw/zinc/40/53/43/590405343.db2.gz ASHHRMGHGYPETP-RYUDHWBXSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CC[C@H]2CN(CC3(C)CC3)CC[C@@H]21 ZINC000877738228 590405345 /nfs/dbraw/zinc/40/53/45/590405345.db2.gz ASHHRMGHGYPETP-RYUDHWBXSA-N 1 3 208.349 1.813 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740195 590407305 /nfs/dbraw/zinc/40/73/05/590407305.db2.gz IZNRYHIWUBCHTL-CHWSQXEVSA-N 1 3 240.391 1.685 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740195 590407306 /nfs/dbraw/zinc/40/73/06/590407306.db2.gz IZNRYHIWUBCHTL-CHWSQXEVSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877739245 590407351 /nfs/dbraw/zinc/40/73/51/590407351.db2.gz FTLHRMAQHDQCQG-XQHKEYJVSA-N 1 3 208.349 1.668 20 0 BDADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000877739245 590407353 /nfs/dbraw/zinc/40/73/53/590407353.db2.gz FTLHRMAQHDQCQG-XQHKEYJVSA-N 1 3 208.349 1.668 20 0 BDADHO CCC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1)OC ZINC000877742894 590409874 /nfs/dbraw/zinc/40/98/74/590409874.db2.gz SCKPSIMGAVWZIX-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CCC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1)OC ZINC000877742894 590409877 /nfs/dbraw/zinc/40/98/77/590409877.db2.gz SCKPSIMGAVWZIX-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CSC[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000127341623 590624473 /nfs/dbraw/zinc/62/44/73/590624473.db2.gz WTCCKLXRAJHOCC-ZJUUUORDSA-N 1 3 202.367 1.470 20 0 BDADHO CSC[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000127341623 590624475 /nfs/dbraw/zinc/62/44/75/590624475.db2.gz WTCCKLXRAJHOCC-ZJUUUORDSA-N 1 3 202.367 1.470 20 0 BDADHO C=C/C=C/CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865980 590634634 /nfs/dbraw/zinc/63/46/34/590634634.db2.gz OSXLYAWUFTWRAE-VBROQKIQSA-N 1 3 238.375 1.507 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580032 590817597 /nfs/dbraw/zinc/81/75/97/590817597.db2.gz DICCNKUPFYANBT-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580032 590817600 /nfs/dbraw/zinc/81/76/00/590817600.db2.gz DICCNKUPFYANBT-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258567 590978421 /nfs/dbraw/zinc/97/84/21/590978421.db2.gz IPYXCKLOTCUJME-OCCSQVGLSA-N 1 3 249.358 1.363 20 0 BDADHO CC[C@@H](O)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258568 590979176 /nfs/dbraw/zinc/97/91/76/590979176.db2.gz IPYXCKLOTCUJME-TZMCWYRMSA-N 1 3 249.358 1.363 20 0 BDADHO COCC[C@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473362 591054460 /nfs/dbraw/zinc/05/44/60/591054460.db2.gz XGAVTMXDORDAOI-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@H](O)CCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880474253 591054534 /nfs/dbraw/zinc/05/45/34/591054534.db2.gz WJONKWKIJSKWPD-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO CC[NH+](CC)CC[C@H](CO)NC1CCCC1 ZINC000883161207 591557260 /nfs/dbraw/zinc/55/72/60/591557260.db2.gz LXAQRBLHXDDFCV-CYBMUJFWSA-N 1 3 228.380 1.611 20 0 BDADHO CCN1CC[C@@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000883356625 591627880 /nfs/dbraw/zinc/62/78/80/591627880.db2.gz RMFAEZICWSHSMY-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883356625 591627882 /nfs/dbraw/zinc/62/78/82/591627882.db2.gz RMFAEZICWSHSMY-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883356625 591627884 /nfs/dbraw/zinc/62/78/84/591627884.db2.gz RMFAEZICWSHSMY-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO [NH3+]CCCCCCCN1CCc2ncncc2C1 ZINC000883462758 591674664 /nfs/dbraw/zinc/67/46/64/591674664.db2.gz ZBZVFTPIUKXUIH-UHFFFAOYSA-N 1 3 248.374 1.744 20 0 BDADHO N[C@@H](CC1CC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000884007279 591795860 /nfs/dbraw/zinc/79/58/60/591795860.db2.gz VUSYHVLHUFYYCR-LBPRGKRZSA-N 1 3 233.315 1.211 20 0 BDADHO CC[S@](=O)CC[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000133516077 591811180 /nfs/dbraw/zinc/81/11/80/591811180.db2.gz ORKNYLYHYDNCLK-MEDUHNTESA-N 1 3 246.420 1.075 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000135062059 591980245 /nfs/dbraw/zinc/98/02/45/591980245.db2.gz WGOVSMHKIMPKID-CHWSQXEVSA-N 1 3 240.391 1.646 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[C@]12CCOC2 ZINC000886829754 592349880 /nfs/dbraw/zinc/34/98/80/592349880.db2.gz GPDFOAYGMYOVIF-MJBXVCDLSA-N 1 3 240.391 1.718 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859730 592371650 /nfs/dbraw/zinc/37/16/50/592371650.db2.gz CJCIDXVKGNOJKX-HZSPNIEDSA-N 1 3 238.375 1.487 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859730 592371656 /nfs/dbraw/zinc/37/16/56/592371656.db2.gz CJCIDXVKGNOJKX-HZSPNIEDSA-N 1 3 238.375 1.487 20 0 BDADHO COC1CC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300215102 592504724 /nfs/dbraw/zinc/50/47/24/592504724.db2.gz JJGLXWWJBRMXRZ-IFWUJCSASA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300215102 592504725 /nfs/dbraw/zinc/50/47/25/592504725.db2.gz JJGLXWWJBRMXRZ-IFWUJCSASA-N 1 3 224.348 1.380 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCCCCCO ZINC000300836782 592521080 /nfs/dbraw/zinc/52/10/80/592521080.db2.gz LHVORABGDHDQAI-GFCCVEGCSA-N 1 3 228.380 1.517 20 0 BDADHO C1[C@@H]2C[C@@H]([NH2+][C@H]3CCNC34CCC4)C[C@H]12 ZINC000925706632 634391914 /nfs/dbraw/zinc/39/19/14/634391914.db2.gz NWOZKCNOLHSERP-USZNOCQGSA-N 1 3 206.333 1.659 20 0 BDADHO C[C@H](CN[C@@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024107 634438789 /nfs/dbraw/zinc/43/87/89/634438789.db2.gz BQTNZSUUZZYGOW-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[NH2+][C@@H]1COCC1(C)C)CN1CCCC1 ZINC000313024107 634438796 /nfs/dbraw/zinc/43/87/96/634438796.db2.gz BQTNZSUUZZYGOW-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)nc(N)n1 ZINC000310102138 634463394 /nfs/dbraw/zinc/46/33/94/634463394.db2.gz NUJQYQMPJUPIHF-SNVBAGLBSA-N 1 3 237.351 1.508 20 0 BDADHO Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)nc(N)n1 ZINC000310102138 634463398 /nfs/dbraw/zinc/46/33/98/634463398.db2.gz NUJQYQMPJUPIHF-SNVBAGLBSA-N 1 3 237.351 1.508 20 0 BDADHO C1=C[C@H](C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925732224 634571125 /nfs/dbraw/zinc/57/11/25/634571125.db2.gz PDNCZBQZRILBGK-NWDGAFQWSA-N 1 3 206.333 1.827 20 0 BDADHO C(NC1CC[NH2+]CC1)[C@@H]1CC2(CCC2)CO1 ZINC000925774500 635235382 /nfs/dbraw/zinc/23/53/82/635235382.db2.gz WBTQZHRRYLZTJT-LBPRGKRZSA-N 1 3 224.348 1.287 20 0 BDADHO C([NH2+]C1CCNCC1)[C@@H]1CC2(CCC2)CO1 ZINC000925774500 635235386 /nfs/dbraw/zinc/23/53/86/635235386.db2.gz WBTQZHRRYLZTJT-LBPRGKRZSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@@H](O)CCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733239 631494726 /nfs/dbraw/zinc/49/47/26/631494726.db2.gz GVLYLCHDPGJTKM-FRRDWIJNSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@@H](O)CCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733239 631494731 /nfs/dbraw/zinc/49/47/31/631494731.db2.gz GVLYLCHDPGJTKM-FRRDWIJNSA-N 1 3 226.364 1.031 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CCC1 ZINC000235092849 631978414 /nfs/dbraw/zinc/97/84/14/631978414.db2.gz FKSAEPXIZDGFJO-GHMZBOCLSA-N 1 3 228.405 1.989 20 0 BDADHO CSC1(C[NH2+][C@H]2CCC[C@H]2CN)CCC1 ZINC000235120759 631984745 /nfs/dbraw/zinc/98/47/45/631984745.db2.gz FKSAEPXIZDGFJO-QWRGUYRKSA-N 1 3 228.405 1.989 20 0 BDADHO CSCC[C@H](C)N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000156904425 632406007 /nfs/dbraw/zinc/40/60/07/632406007.db2.gz OHKDYJMHJDDJHS-WOPDTQHZSA-N 1 3 230.421 1.915 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)[C@H]1CCCO1 ZINC000251211275 632544373 /nfs/dbraw/zinc/54/43/73/632544373.db2.gz MLUAIXUIPBFLDD-MROQNXINSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)S[C@H](C)C1 ZINC000235334308 632673405 /nfs/dbraw/zinc/67/34/05/632673405.db2.gz HZLSABUIZNZRBW-KKOKHZNYSA-N 1 3 228.405 1.668 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CC1(F)F ZINC000926702428 632838591 /nfs/dbraw/zinc/83/85/91/632838591.db2.gz BVOVTYGAHFJVQP-MBYGNEARSA-N 1 3 244.329 1.962 20 0 BDADHO C[C@H](CN)[N@H+](C)CCc1cccc(F)c1 ZINC000107151146 635827919 /nfs/dbraw/zinc/82/79/19/635827919.db2.gz CEOWOPFAZZRUHH-SNVBAGLBSA-N 1 3 210.296 1.647 20 0 BDADHO C[C@H](CN)[N@@H+](C)CCc1cccc(F)c1 ZINC000107151146 635827922 /nfs/dbraw/zinc/82/79/22/635827922.db2.gz CEOWOPFAZZRUHH-SNVBAGLBSA-N 1 3 210.296 1.647 20 0 BDADHO CCCCOCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309258489 632850491 /nfs/dbraw/zinc/85/04/91/632850491.db2.gz BJMPUYBCPDCSOT-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO Cc1cc(N)nc(NCC[C@H](C)[NH+](C)C)n1 ZINC000894521323 635903390 /nfs/dbraw/zinc/90/33/90/635903390.db2.gz MWYNUYMONUXREZ-VIFPVBQESA-N 1 3 223.324 1.119 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328564650 633776535 /nfs/dbraw/zinc/77/65/35/633776535.db2.gz KRMAPPCQACORNU-OLPJOPMJSA-N 1 3 206.333 1.228 20 0 BDADHO C[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328565776 633776595 /nfs/dbraw/zinc/77/65/95/633776595.db2.gz LYVWNHHRWBVENH-VWBGDHHKSA-N 1 3 220.360 1.761 20 0 BDADHO C1[NH2+][C@H]2[C@H](NC3CCCCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000328567242 633777293 /nfs/dbraw/zinc/77/72/93/633777293.db2.gz NPTOLLLSTXDAIL-SZZQBSIJSA-N 1 3 220.360 1.905 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925504642 633832577 /nfs/dbraw/zinc/83/25/77/633832577.db2.gz LIRDHMCZFQJGNK-FRRDWIJNSA-N 1 3 226.364 1.391 20 0 BDADHO CC[C@@H](O)CC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925560451 634042105 /nfs/dbraw/zinc/04/21/05/634042105.db2.gz MBXLVFHTGRAIJT-FVCCEPFGSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@@H](O)CCN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925560451 634042111 /nfs/dbraw/zinc/04/21/11/634042111.db2.gz MBXLVFHTGRAIJT-FVCCEPFGSA-N 1 3 240.391 1.514 20 0 BDADHO COC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000053196304 634069421 /nfs/dbraw/zinc/06/94/21/634069421.db2.gz VFEJOARJEMMJPT-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000053196304 634069428 /nfs/dbraw/zinc/06/94/28/634069428.db2.gz VFEJOARJEMMJPT-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H](CO)N[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925617511 634165899 /nfs/dbraw/zinc/16/58/99/634165899.db2.gz WKSFKORJLZYFLY-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](CO)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925617511 634165909 /nfs/dbraw/zinc/16/59/09/634165909.db2.gz WKSFKORJLZYFLY-WCFLWFBJSA-N 1 3 226.364 1.125 20 0 BDADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925642175 634188910 /nfs/dbraw/zinc/18/89/10/634188910.db2.gz ROGXIURUVWFVEK-GKBWCTFZSA-N 1 3 224.348 1.173 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925642175 634188916 /nfs/dbraw/zinc/18/89/16/634188916.db2.gz ROGXIURUVWFVEK-GKBWCTFZSA-N 1 3 224.348 1.173 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643427 634194975 /nfs/dbraw/zinc/19/49/75/634194975.db2.gz IMRCISFMKNRCND-UTUOFQBUSA-N 1 3 246.358 1.057 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643427 634194981 /nfs/dbraw/zinc/19/49/81/634194981.db2.gz IMRCISFMKNRCND-UTUOFQBUSA-N 1 3 246.358 1.057 20 0 BDADHO CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@H]2C[C@@H](O)C2)C1 ZINC000925695457 634348992 /nfs/dbraw/zinc/34/89/92/634348992.db2.gz XASBXICYWZDQEM-UKKRHICBSA-N 1 3 212.337 1.005 20 0 BDADHO CC[C@H]1CN(CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000147518420 636698302 /nfs/dbraw/zinc/69/83/02/636698302.db2.gz HVBFUIDPJCYZCG-KBPBESRZSA-N 1 3 233.359 1.683 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccco1 ZINC000084215981 636875782 /nfs/dbraw/zinc/87/57/82/636875782.db2.gz UDCAOJYQQWQFPN-DGCLKSJQSA-N 1 3 222.332 1.929 20 0 BDADHO O[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903204607 637355470 /nfs/dbraw/zinc/35/54/70/637355470.db2.gz WCTGHAIILVOMAI-TZUOQKNYSA-N 1 3 236.359 1.257 20 0 BDADHO O[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903204607 637355475 /nfs/dbraw/zinc/35/54/75/637355475.db2.gz WCTGHAIILVOMAI-TZUOQKNYSA-N 1 3 236.359 1.257 20 0 BDADHO NC1(C[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000904449150 637414298 /nfs/dbraw/zinc/41/42/98/637414298.db2.gz FPPXKDSRBJXJBL-UHFFFAOYSA-N 1 3 242.326 1.453 20 0 BDADHO C[C@@](O)(CNC[C@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058431 637594177 /nfs/dbraw/zinc/59/41/77/637594177.db2.gz GPHXDACETQVGPX-BXKDBHETSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@@](O)(CNC[C@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058431 637594181 /nfs/dbraw/zinc/59/41/81/637594181.db2.gz GPHXDACETQVGPX-BXKDBHETSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@@](O)(C[NH2+]C[C@H]1CCN(C2CC2)C1)C(F)F ZINC000905058431 637594191 /nfs/dbraw/zinc/59/41/91/637594191.db2.gz GPHXDACETQVGPX-BXKDBHETSA-N 1 3 248.317 1.076 20 0 BDADHO CN[C@@H](CC(C)C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000905304545 637762160 /nfs/dbraw/zinc/76/21/60/637762160.db2.gz MHMAABKUDRCXFW-UWVGGRQHSA-N 1 3 238.335 1.801 20 0 BDADHO [NH3+]Cc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000905304505 637762580 /nfs/dbraw/zinc/76/25/80/637762580.db2.gz LELYIUBLKCSEMR-LLVKDONJSA-N 1 3 244.298 1.620 20 0 BDADHO [NH3+][C@H]1C[C@H](NCCSCc2ccccc2)C1 ZINC000906519235 638187137 /nfs/dbraw/zinc/18/71/37/638187137.db2.gz VVKHEHQUSZFXOM-JOCQHMNTSA-N 1 3 236.384 1.999 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911817788 639849981 /nfs/dbraw/zinc/84/99/81/639849981.db2.gz GVPKDWSURZIKSO-SRVKXCTJSA-N 1 3 243.395 1.240 20 0 BDADHO CCO[C@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000932969278 640655940 /nfs/dbraw/zinc/65/59/40/640655940.db2.gz AIDRDBBCMDDYLM-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CCO[C@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000932969278 640655942 /nfs/dbraw/zinc/65/59/42/640655942.db2.gz AIDRDBBCMDDYLM-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000157452626 640684912 /nfs/dbraw/zinc/68/49/12/640684912.db2.gz SSZWOUTVAVIEGE-IHRRRGAJSA-N 1 3 236.359 1.896 20 0 BDADHO C1=CO[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000157452626 640684918 /nfs/dbraw/zinc/68/49/18/640684918.db2.gz SSZWOUTVAVIEGE-IHRRRGAJSA-N 1 3 236.359 1.896 20 0 BDADHO CCSCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732799 640753534 /nfs/dbraw/zinc/75/35/34/640753534.db2.gz BYNKCGDWXIQQGE-NWDGAFQWSA-N 1 3 228.405 1.623 20 0 BDADHO CCSCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732799 640753539 /nfs/dbraw/zinc/75/35/39/640753539.db2.gz BYNKCGDWXIQQGE-NWDGAFQWSA-N 1 3 228.405 1.623 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000227212024 640820967 /nfs/dbraw/zinc/82/09/67/640820967.db2.gz RCJMYMRMARDSKV-KWCYVHTRSA-N 1 3 234.343 1.389 20 0 BDADHO CO[C@@H]1CC[C@@H]1[N@H+](C)CC[C@@H]1CCCN1C ZINC000934120075 641082747 /nfs/dbraw/zinc/08/27/47/641082747.db2.gz ZEHXLYGLRRCPLT-RWMBFGLXSA-N 1 3 226.364 1.580 20 0 BDADHO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC[C@@H]1CCCN1C ZINC000934120075 641082753 /nfs/dbraw/zinc/08/27/53/641082753.db2.gz ZEHXLYGLRRCPLT-RWMBFGLXSA-N 1 3 226.364 1.580 20 0 BDADHO CO[C@H]1CC[C@@H]1[N@H+](C)CCCN1CCCCC1 ZINC000934119607 641083475 /nfs/dbraw/zinc/08/34/75/641083475.db2.gz XSUPHLNALRFLKJ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@H]1CC[C@@H]1[N@@H+](C)CCCN1CCCCC1 ZINC000934119607 641083476 /nfs/dbraw/zinc/08/34/76/641083476.db2.gz XSUPHLNALRFLKJ-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)N1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062862095 641099537 /nfs/dbraw/zinc/09/95/37/641099537.db2.gz RFLISIZKYWPOKY-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CN(C[C@]1(C)CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000062861982 641099724 /nfs/dbraw/zinc/09/97/24/641099724.db2.gz XGDQNLPBMSUFRR-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925472162 642390601 /nfs/dbraw/zinc/39/06/01/642390601.db2.gz AWBHLRUIHTXBOU-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H]1CN(C[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000305915239 642710459 /nfs/dbraw/zinc/71/04/59/642710459.db2.gz FUSYZYKRNSWOFM-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](CN[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000070969579 643090812 /nfs/dbraw/zinc/09/08/12/643090812.db2.gz AISRYUWLZDBIMI-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCOC1)CN1CCCC1 ZINC000070969579 643090813 /nfs/dbraw/zinc/09/08/13/643090813.db2.gz AISRYUWLZDBIMI-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCNC(NC[C@H](CC)N1CCCC1)=[NH+]CC ZINC000066245276 643165467 /nfs/dbraw/zinc/16/54/67/643165467.db2.gz AUQFNIJFTHLWRX-LBPRGKRZSA-N 1 3 240.395 1.436 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921620859 643629132 /nfs/dbraw/zinc/62/91/32/643629132.db2.gz VPSHWCGICXKEKA-CYBMUJFWSA-N 1 3 249.358 1.607 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CNCc2cc[nH]c(=O)c2)C1 ZINC000921620859 643629145 /nfs/dbraw/zinc/62/91/45/643629145.db2.gz VPSHWCGICXKEKA-CYBMUJFWSA-N 1 3 249.358 1.607 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCc1nccs1 ZINC000084216777 643649834 /nfs/dbraw/zinc/64/98/34/643649834.db2.gz VGRZYZGMTIWQRQ-GHMZBOCLSA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1nccs1 ZINC000084216777 643649841 /nfs/dbraw/zinc/64/98/41/643649841.db2.gz VGRZYZGMTIWQRQ-GHMZBOCLSA-N 1 3 239.388 1.793 20 0 BDADHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2ccccc2)C1 ZINC000050247753 643661606 /nfs/dbraw/zinc/66/16/06/643661606.db2.gz IYZKSMLAHKQIOK-GFCCVEGCSA-N 1 3 247.342 1.296 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000230217320 643766549 /nfs/dbraw/zinc/76/65/49/643766549.db2.gz GVERPGNMPZRZDF-QWHCGFSZSA-N 1 3 242.407 1.892 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000230217317 643767503 /nfs/dbraw/zinc/76/75/03/643767503.db2.gz GVERPGNMPZRZDF-OLZOCXBDSA-N 1 3 242.407 1.892 20 0 BDADHO CC[C@@H]1CCCCN1CCNC(NC)=[NH+]C ZINC000073840197 644136912 /nfs/dbraw/zinc/13/69/12/644136912.db2.gz KREYKNJEZHKOJS-LLVKDONJSA-N 1 3 226.368 1.046 20 0 BDADHO CC(C)CC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923282419 644313545 /nfs/dbraw/zinc/31/35/45/644313545.db2.gz VVFUGGRFYZOBGS-OLZOCXBDSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)c1ccccc1 ZINC000923299931 644326104 /nfs/dbraw/zinc/32/61/04/644326104.db2.gz JNCWCBISTPBOHT-KGLIPLIRSA-N 1 3 236.359 1.683 20 0 BDADHO CC(C)CC[C@@H](O)CN(C)CCC[NH3+] ZINC000923291795 644329221 /nfs/dbraw/zinc/32/92/21/644329221.db2.gz SDMIOBGRIOOFAH-LLVKDONJSA-N 1 3 202.342 1.064 20 0 BDADHO CC(C)CC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294983 644333634 /nfs/dbraw/zinc/33/36/34/644333634.db2.gz RYAUAVXNNJNLTB-GFCCVEGCSA-N 1 3 230.396 1.700 20 0 BDADHO CC[N@H+](CCCNC1CC1)C[C@@H]1CCOC1 ZINC000923305596 644340000 /nfs/dbraw/zinc/34/00/00/644340000.db2.gz HFMUQVJEFJYZOK-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](CCCNC1CC1)C[C@@H]1CCOC1 ZINC000923305596 644340007 /nfs/dbraw/zinc/34/00/07/644340007.db2.gz HFMUQVJEFJYZOK-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)CC[C@@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000923335178 644356503 /nfs/dbraw/zinc/35/65/03/644356503.db2.gz LXGFTRMHODGCBD-UONOGXRCSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(C[C@H](O)CSC)[C@@H]1CCC[NH2+]CC1 ZINC000923336136 644357070 /nfs/dbraw/zinc/35/70/70/644357070.db2.gz QMCKFQBAJLFPQI-NEPJUHHUSA-N 1 3 246.420 1.174 20 0 BDADHO CCN(C[C@@H](O)CSC)[C@H]1CCC[NH2+]CC1 ZINC000923336138 644357194 /nfs/dbraw/zinc/35/71/94/644357194.db2.gz QMCKFQBAJLFPQI-NWDGAFQWSA-N 1 3 246.420 1.174 20 0 BDADHO CC[C@@H]1CN(C[C@H](O)CCC(C)C)CC[C@H]1[NH3+] ZINC000923346014 644365329 /nfs/dbraw/zinc/36/53/29/644365329.db2.gz SWQQHKQQXKEVMD-MGPQQGTHSA-N 1 3 242.407 1.843 20 0 BDADHO CN(C[C@@H](O)CCc1ccccc1)C1CC([NH3+])C1 ZINC000923361636 644387101 /nfs/dbraw/zinc/38/71/01/644387101.db2.gz JLCOTGSFWGHCHO-NRXISQOPSA-N 1 3 248.370 1.402 20 0 BDADHO C[C@H](NC[C@H]1CC2(C[NH2+]C2)CO1)c1ccccn1 ZINC000923376451 644390567 /nfs/dbraw/zinc/39/05/67/644390567.db2.gz AXEVGETUNHYUTL-NWDGAFQWSA-N 1 3 247.342 1.111 20 0 BDADHO C[C@@H]1CN(CCc2cccc(F)c2)C[C@H]1C[NH3+] ZINC000923412588 644413804 /nfs/dbraw/zinc/41/38/04/644413804.db2.gz RJFHNACUHCHJHG-DGCLKSJQSA-N 1 3 236.334 1.895 20 0 BDADHO CC(C)CC[C@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000923412204 644414069 /nfs/dbraw/zinc/41/40/69/644414069.db2.gz PZJAPHYWROQKOE-KGLIPLIRSA-N 1 3 242.407 1.987 20 0 BDADHO CC(C)CC[C@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000923412204 644414072 /nfs/dbraw/zinc/41/40/72/644414072.db2.gz PZJAPHYWROQKOE-KGLIPLIRSA-N 1 3 242.407 1.987 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000923426027 644420651 /nfs/dbraw/zinc/42/06/51/644420651.db2.gz BKZVXUPJCLADLO-GXTWGEPZSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000923426027 644420652 /nfs/dbraw/zinc/42/06/52/644420652.db2.gz BKZVXUPJCLADLO-GXTWGEPZSA-N 1 3 238.375 1.629 20 0 BDADHO C(CNC1CC1)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000923426027 644420655 /nfs/dbraw/zinc/42/06/55/644420655.db2.gz BKZVXUPJCLADLO-GXTWGEPZSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384791 644422210 /nfs/dbraw/zinc/42/22/10/644422210.db2.gz KWAUYNQQCLGETK-NWDGAFQWSA-N 1 3 212.337 1.097 20 0 BDADHO CC[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000084384796 644422616 /nfs/dbraw/zinc/42/26/16/644422616.db2.gz KWAUYNQQCLGETK-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO c1ccc([C@@H]2C[C@@H]2N2CCNCC[NH2+]CC2)cc1 ZINC000923459739 644434618 /nfs/dbraw/zinc/43/46/18/644434618.db2.gz DXKULICPHFKDMR-GJZGRUSLSA-N 1 3 245.370 1.037 20 0 BDADHO CCc1nc([C@H](C)N2CC[C@@H](CC[NH3+])C2)n[nH]1 ZINC000923482195 644459816 /nfs/dbraw/zinc/45/98/16/644459816.db2.gz XPRJIAOCXGEUHO-VHSXEESVSA-N 1 3 237.351 1.099 20 0 BDADHO C[C@H]1CN(Cc2cc(C3CC3)no2)CC[C@@H]1C[NH3+] ZINC000923489401 644465091 /nfs/dbraw/zinc/46/50/91/644465091.db2.gz JNROOINFZBCKNR-CMPLNLGQSA-N 1 3 249.358 1.969 20 0 BDADHO Cc1nc([C@H](C)N2CC[C@@H](C[NH3+])[C@H](C)C2)n[nH]1 ZINC000923493487 644470842 /nfs/dbraw/zinc/47/08/42/644470842.db2.gz HEXPXLGRNDXCPR-YWVKMMECSA-N 1 3 237.351 1.091 20 0 BDADHO C[C@H]1CN(Cc2ccno2)CC[C@H]1C[NH3+] ZINC000923501127 644476363 /nfs/dbraw/zinc/47/63/63/644476363.db2.gz ZDQSVUILPYRTMD-UWVGGRQHSA-N 1 3 209.293 1.091 20 0 BDADHO Nc1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516755 644480360 /nfs/dbraw/zinc/48/03/60/644480360.db2.gz QYUCOVQPLHTYNF-QWHCGFSZSA-N 1 3 231.343 1.310 20 0 BDADHO CC(C)C[C@H]1CN(C)CCN1C[C@H]1CC[NH2+]C1 ZINC000923557675 644500502 /nfs/dbraw/zinc/50/05/02/644500502.db2.gz NESZQLVPTCYHNN-KBPBESRZSA-N 1 3 239.407 1.258 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2CO)C[C@H]1C ZINC000250399395 644758774 /nfs/dbraw/zinc/75/87/74/644758774.db2.gz YYAHTAHZYQMOEH-LLVKDONJSA-N 1 3 235.331 1.104 20 0 BDADHO CC[C@H](O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412630 644849273 /nfs/dbraw/zinc/84/92/73/644849273.db2.gz AEQRISFKGSMSQF-RWMBFGLXSA-N 1 3 226.364 1.221 20 0 BDADHO CCN1CCC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925494124 645730511 /nfs/dbraw/zinc/73/05/11/645730511.db2.gz NJDVRGXIMUDFOB-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)C[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000122598214 645743362 /nfs/dbraw/zinc/74/33/62/645743362.db2.gz MFDUYTCGKJSEIU-CQSZACIVSA-N 1 3 242.407 1.856 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)Cc2ccccn2)C1 ZINC000924704685 646093567 /nfs/dbraw/zinc/09/35/67/646093567.db2.gz GZZFSEIIXIKTGG-ZIAGYGMSSA-N 1 3 247.386 1.944 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925525652 646317913 /nfs/dbraw/zinc/31/79/13/646317913.db2.gz DKEXVMZYTRZCOD-RDBSUJKOSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1CCCCN1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925550452 646326080 /nfs/dbraw/zinc/32/60/80/646326080.db2.gz MPVBHHYCGLSLAZ-CHWSQXEVSA-N 1 3 239.407 1.591 20 0 BDADHO CC1(C)[C@H](N[C@H]2CCCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925549501 646326748 /nfs/dbraw/zinc/32/67/48/646326748.db2.gz LTVYYYCUOUSREG-QNWHQSFQSA-N 1 3 238.375 1.532 20 0 BDADHO CCN1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925573825 646342084 /nfs/dbraw/zinc/34/20/84/646342084.db2.gz PXPXKNBLAQPMIG-QWHCGFSZSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCNC12CCC2)C1CC1 ZINC000925584277 646347168 /nfs/dbraw/zinc/34/71/68/646347168.db2.gz KHJPQOTYFNFSLG-JQWIXIFHSA-N 1 3 208.349 1.907 20 0 BDADHO OC[C@H]1CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925608313 646358418 /nfs/dbraw/zinc/35/84/18/646358418.db2.gz VUJOJSWPPTVNAQ-FRRDWIJNSA-N 1 3 238.375 1.412 20 0 BDADHO C1=CC[C@@H]([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925620638 646367786 /nfs/dbraw/zinc/36/77/86/646367786.db2.gz WKRJHEFQRJHHRE-VXGBXAGGSA-N 1 3 206.333 1.969 20 0 BDADHO C[C@H]1CCCN1CCN[C@@H]1CC[NH2+]C12CCC2 ZINC000925624664 646369677 /nfs/dbraw/zinc/36/96/77/646369677.db2.gz ZLGKSUOYSKKTSW-QWHCGFSZSA-N 1 3 237.391 1.345 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCOC2CC2)[C@H](C)C1 ZINC000929998100 646390000 /nfs/dbraw/zinc/39/00/00/646390000.db2.gz BRKIODGYLBLTSR-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCOC2CC2)[C@H](C)C1 ZINC000929998100 646390007 /nfs/dbraw/zinc/39/00/07/646390007.db2.gz BRKIODGYLBLTSR-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO OCCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925656226 646394306 /nfs/dbraw/zinc/39/43/06/646394306.db2.gz JBKROEWPUYEISY-KGLIPLIRSA-N 1 3 240.391 1.517 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925683596 646411162 /nfs/dbraw/zinc/41/11/62/646411162.db2.gz TUFLZSQTAABHMF-DDHJBXDOSA-N 1 3 224.348 1.413 20 0 BDADHO C[C@H]1CC(CN[C@H]2C[NH2+]CCOC2)C[C@H](C)C1 ZINC000925709548 646434230 /nfs/dbraw/zinc/43/42/30/646434230.db2.gz VDKDAGGMUPUALL-BZPMIXESSA-N 1 3 240.391 1.637 20 0 BDADHO C[C@H]1C[C@H](CN[C@@H]2C[NH2+]CCOC2)C[C@@H](C)C1 ZINC000925709551 646434332 /nfs/dbraw/zinc/43/43/32/646434332.db2.gz VDKDAGGMUPUALL-ZOBORPQBSA-N 1 3 240.391 1.637 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840513 646506593 /nfs/dbraw/zinc/50/65/93/646506593.db2.gz AZAQKGVWKFSTMO-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO Cc1ccc(NCCN[C@@H](C)C[C@@H](C)[NH3+])nc1 ZINC000925877040 646527246 /nfs/dbraw/zinc/52/72/46/646527246.db2.gz DNDYQAUNYHJACX-NEPJUHHUSA-N 1 3 236.363 1.517 20 0 BDADHO C1CC1(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000925893123 646535437 /nfs/dbraw/zinc/53/54/37/646535437.db2.gz LKRVIQIKQHOBGS-OLZOCXBDSA-N 1 3 238.375 1.820 20 0 BDADHO C[C@H](C[NH2+]C1CC2(C1)CO[C@H](C)C2)CN(C)C ZINC000926468237 646652437 /nfs/dbraw/zinc/65/24/37/646652437.db2.gz ASMABZFKGWFJJQ-IWMBGFJWSA-N 1 3 240.391 1.731 20 0 BDADHO C(N[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000925722220 711719939 /nfs/dbraw/zinc/71/99/39/711719939.db2.gz UDZFLBCWPKPIME-YVECIDJPSA-N 1 3 224.348 1.001 20 0 BDADHO CC1(O)CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000703606822 712080372 /nfs/dbraw/zinc/08/03/72/712080372.db2.gz ZQVADKHESZDNNF-ZIHBUVQPSA-N 1 3 240.391 1.787 20 0 BDADHO COC1CC(C[N@H+]2CC[C@@H](C)[C@@H](CN)C2)C1 ZINC000703855592 712090964 /nfs/dbraw/zinc/09/09/64/712090964.db2.gz VQDLSSMZUJPJGR-IGJPJIBNSA-N 1 3 226.364 1.328 20 0 BDADHO C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664252 712134988 /nfs/dbraw/zinc/13/49/88/712134988.db2.gz YCMBUBVWHXPBQL-MELADBBJSA-N 1 3 238.375 1.031 20 0 BDADHO C[N@H+]1C[C@@]2(C)CN(C[C@H](O)C3CC3)C[C@@]2(C)C1 ZINC000705664252 712134991 /nfs/dbraw/zinc/13/49/91/712134991.db2.gz YCMBUBVWHXPBQL-MELADBBJSA-N 1 3 238.375 1.031 20 0 BDADHO C[C@@H](O)CCCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705667212 712135059 /nfs/dbraw/zinc/13/50/59/712135059.db2.gz IKKSPOONLWTSAF-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@@H](O)CCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705667212 712135062 /nfs/dbraw/zinc/13/50/62/712135062.db2.gz IKKSPOONLWTSAF-MCIONIFRSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@H](CF)C1 ZINC000711458848 712304651 /nfs/dbraw/zinc/30/46/51/712304651.db2.gz YZDSOALUVWZOMZ-MNOVXSKESA-N 1 3 202.317 1.651 20 0 BDADHO CC1(C)CC[C@@H](CN2CC[C@@H](C[NH3+])C2)OC1 ZINC000713592943 712466203 /nfs/dbraw/zinc/46/62/03/712466203.db2.gz OQDOYIKBVWPZAQ-RYUDHWBXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H](C)c1ncc[nH]1 ZINC000379854583 712616893 /nfs/dbraw/zinc/61/68/93/712616893.db2.gz BKJHXZOCHFZYIJ-NXEZZACHSA-N 1 3 210.325 1.578 20 0 BDADHO CC1(C)CO[C@@H](CN[C@H]2CC[NH2+]CC2(C)C)C1 ZINC000717318088 712646693 /nfs/dbraw/zinc/64/66/93/712646693.db2.gz NMTLTXPDYZUNEM-NEPJUHHUSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)CO[C@@H](C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000717318088 712646694 /nfs/dbraw/zinc/64/66/94/712646694.db2.gz NMTLTXPDYZUNEM-NEPJUHHUSA-N 1 3 240.391 1.779 20 0 BDADHO COCC(C)(C)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000718793708 712783883 /nfs/dbraw/zinc/78/38/83/712783883.db2.gz XCCVMNBDENQOEB-RYUDHWBXSA-N 1 3 228.380 1.766 20 0 BDADHO CC1(C)[C@@H]2CN(C[C@@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000380392061 712900441 /nfs/dbraw/zinc/90/04/41/712900441.db2.gz CQCJBQUORRXEPJ-RWMBFGLXSA-N 1 3 238.375 1.031 20 0 BDADHO C[C@H]1OCCN(CCCCCC[NH3+])[C@H]1C ZINC000380422781 712900646 /nfs/dbraw/zinc/90/06/46/712900646.db2.gz DBSHMNQOHITQCW-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO C(C[NH2+]C1CC1)CN1CCC2(C1)CCOCC2 ZINC000383953510 710986749 /nfs/dbraw/zinc/98/67/49/710986749.db2.gz GXMSAAXUCXKNAM-UHFFFAOYSA-N 1 3 238.375 1.631 20 0 BDADHO C(CNC1CC1)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000383953510 710986752 /nfs/dbraw/zinc/98/67/52/710986752.db2.gz GXMSAAXUCXKNAM-UHFFFAOYSA-N 1 3 238.375 1.631 20 0 BDADHO C(CNC1CC1)C[N@H+]1CCC2(C1)CCOCC2 ZINC000383953510 710986755 /nfs/dbraw/zinc/98/67/55/710986755.db2.gz GXMSAAXUCXKNAM-UHFFFAOYSA-N 1 3 238.375 1.631 20 0 BDADHO C(CN1CCCCC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385547801 711014727 /nfs/dbraw/zinc/01/47/27/711014727.db2.gz WFDAYFSEVOIWDX-BTFPBAQTSA-N 1 3 249.402 1.058 20 0 BDADHO CCCCOCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396638320 711361389 /nfs/dbraw/zinc/36/13/89/711361389.db2.gz LZUUOTHJXCEISR-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCCCCN1)C1CC1 ZINC000398144692 711403290 /nfs/dbraw/zinc/40/32/90/711403290.db2.gz XGAVMIMGVPEBHL-STQMWFEESA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](CCCCO)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000398652209 711413612 /nfs/dbraw/zinc/41/36/12/711413612.db2.gz CABADKIQGGJEDH-BBMNEWJDSA-N 1 3 238.375 1.124 20 0 BDADHO C[N@H+](C[C@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000398879129 711416379 /nfs/dbraw/zinc/41/63/79/711416379.db2.gz GSPFETAAMVEQQJ-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[N@@H+](C[C@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000398879129 711416381 /nfs/dbraw/zinc/41/63/81/711416381.db2.gz GSPFETAAMVEQQJ-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@H]1CCOC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000398879129 711416383 /nfs/dbraw/zinc/41/63/83/711416383.db2.gz GSPFETAAMVEQQJ-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C1[C@@H]2C[C@@H](N[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C[C@H]12 ZINC000397853767 711393643 /nfs/dbraw/zinc/39/36/43/711393643.db2.gz UBAIIYKSYZOKFM-QILJZSLXSA-N 1 3 218.344 1.371 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CSC2)C1 ZINC000307428580 711480355 /nfs/dbraw/zinc/48/03/55/711480355.db2.gz UEIPVOVGYVZGAT-MWLCHTKSSA-N 1 3 214.378 1.564 20 0 BDADHO Cc1cnc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)o1 ZINC000723902671 711544640 /nfs/dbraw/zinc/54/46/40/711544640.db2.gz YDCUOVLGKWVQGT-MWLCHTKSSA-N 1 3 223.320 1.400 20 0 BDADHO CCCCC1(NC[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000934203629 711575305 /nfs/dbraw/zinc/57/53/05/711575305.db2.gz TWRYJIUUYULTOO-ZDUSSCGKSA-N 1 3 242.407 2.000 20 0 BDADHO CCCCC1(NC[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000934203629 711575306 /nfs/dbraw/zinc/57/53/06/711575306.db2.gz TWRYJIUUYULTOO-ZDUSSCGKSA-N 1 3 242.407 2.000 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCCCCO ZINC000236162285 711671979 /nfs/dbraw/zinc/67/19/79/711671979.db2.gz PQKWESGDHDSOGZ-VXGBXAGGSA-N 1 3 214.353 1.256 20 0 BDADHO C[C@H](NC[C@H]1CC[C@@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325348 711737469 /nfs/dbraw/zinc/73/74/69/711737469.db2.gz PPAAEPCRZLBFCZ-BIMULSAOSA-N 1 3 224.348 1.142 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925473660 711878719 /nfs/dbraw/zinc/87/87/19/711878719.db2.gz NWXRYPJMMRHPPA-OLZOCXBDSA-N 1 3 248.374 1.441 20 0 BDADHO COC1CCC([NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000700542897 711996644 /nfs/dbraw/zinc/99/66/44/711996644.db2.gz XECFZTQBTWDHJI-PNESKVBLSA-N 1 3 228.380 1.874 20 0 BDADHO COC1CC(C[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)C1 ZINC000703855592 712090963 /nfs/dbraw/zinc/09/09/63/712090963.db2.gz VQDLSSMZUJPJGR-IGJPJIBNSA-N 1 3 226.364 1.328 20 0 BDADHO COC1CC(C[N@@H+]2CCCC[C@@H]2CCN)C1 ZINC000703866484 712091606 /nfs/dbraw/zinc/09/16/06/712091606.db2.gz DUSNMVFBTZVMPV-OTTFEQOBSA-N 1 3 226.364 1.615 20 0 BDADHO COC1CC(C[N@H+]2CCCC[C@@H]2CCN)C1 ZINC000703866484 712091607 /nfs/dbraw/zinc/09/16/07/712091607.db2.gz DUSNMVFBTZVMPV-OTTFEQOBSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCCOC1)[NH2+]2 ZINC000709447042 712222020 /nfs/dbraw/zinc/22/20/20/712222020.db2.gz DYCPQVFOXOROTN-NZEXEKPDSA-N 1 3 224.348 1.284 20 0 BDADHO CC[C@H](C)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709791255 712227202 /nfs/dbraw/zinc/22/72/02/712227202.db2.gz AHEGJGOCWWIQKH-DJLDLDEBSA-N 1 3 224.270 1.854 20 0 BDADHO CC[NH+]1CCC(NCCc2ccns2)CC1 ZINC000709826033 712228771 /nfs/dbraw/zinc/22/87/71/712228771.db2.gz OWHGJRWUMJRTBW-UHFFFAOYSA-N 1 3 239.388 1.760 20 0 BDADHO C[C@@H](c1cnccn1)N(C)CCCCCC[NH3+] ZINC000710714768 712255513 /nfs/dbraw/zinc/25/55/13/712255513.db2.gz USLRJRZEDPZUPK-LBPRGKRZSA-N 1 3 236.363 1.989 20 0 BDADHO CC[C@@H]1COC[C@H]1NC[C@H](C)C[NH+](C)C ZINC000711075132 712278796 /nfs/dbraw/zinc/27/87/96/712278796.db2.gz OZTHGTJNVVOIPF-QJPTWQEYSA-N 1 3 214.353 1.199 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@H](CF)C1 ZINC000711458848 712304649 /nfs/dbraw/zinc/30/46/49/712304649.db2.gz YZDSOALUVWZOMZ-MNOVXSKESA-N 1 3 202.317 1.651 20 0 BDADHO C[NH+]1CCC(CNCc2nccn2C2CC2)CC1 ZINC000711747697 712323741 /nfs/dbraw/zinc/32/37/41/712323741.db2.gz WHSHGQKKYGCVBB-UHFFFAOYSA-N 1 3 248.374 1.649 20 0 BDADHO C[C@H]1CCN(CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711754304 712324789 /nfs/dbraw/zinc/32/47/89/712324789.db2.gz UDRAYRKKLQBKEE-QWRGUYRKSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCNCCC2(C)C)O1 ZINC000712555627 712445064 /nfs/dbraw/zinc/44/50/64/712445064.db2.gz WYYIDXXHOAEZSP-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCNCCC2(C)C)O1 ZINC000712555627 712445065 /nfs/dbraw/zinc/44/50/65/712445065.db2.gz WYYIDXXHOAEZSP-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO CCN1CC[C@H]1CNc1cc[nH+]c(C)c1 ZINC000712566162 712446250 /nfs/dbraw/zinc/44/62/50/712446250.db2.gz VEIHGBKMXRKHLC-LBPRGKRZSA-N 1 3 205.305 1.318 20 0 BDADHO Cc1nocc1CN(C)CCCCCC[NH3+] ZINC000713485251 712462091 /nfs/dbraw/zinc/46/20/91/712462091.db2.gz GGMNYQAGXIHZJV-UHFFFAOYSA-N 1 3 225.336 1.934 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000715493419 712523589 /nfs/dbraw/zinc/52/35/89/712523589.db2.gz BYFRHEVXVUFTFA-MGPQQGTHSA-N 1 3 238.375 1.615 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715750839 712531418 /nfs/dbraw/zinc/53/14/18/712531418.db2.gz BWQYMJDCZJWGKX-SDDRHHMPSA-N 1 3 228.405 1.989 20 0 BDADHO CC1(CC[NH2+][C@@H]2CCCC[C@H]2CN)OCCO1 ZINC000715926649 712543003 /nfs/dbraw/zinc/54/30/03/712543003.db2.gz KNPNMZYROSQMQB-NWDGAFQWSA-N 1 3 242.363 1.247 20 0 BDADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000716612304 712567528 /nfs/dbraw/zinc/56/75/28/712567528.db2.gz YXGGXGWZNUCSCB-ZUWXAHSQSA-N 1 3 246.398 1.865 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CC(C)(C)CO1 ZINC000717647072 712663233 /nfs/dbraw/zinc/66/32/33/712663233.db2.gz BOWAAIKNICMSHS-WDEREUQCSA-N 1 3 228.380 1.765 20 0 BDADHO Cn1cnnc1[C@H]1CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717906046 712733264 /nfs/dbraw/zinc/73/32/64/712733264.db2.gz SWSUMXJTEWNXOV-GRYCIOLGSA-N 1 3 249.362 1.079 20 0 BDADHO CC(C)N1CCC([NH2+][C@H]2CCN(C)[C@H]2C)CC1 ZINC000719649985 712820834 /nfs/dbraw/zinc/82/08/34/712820834.db2.gz WKSJGIMEMSQEHL-JSGCOSHPSA-N 1 3 239.407 1.541 20 0 BDADHO CC[NH+](CC)CCCN[C@H](CO)C1CC1 ZINC000380304907 712864319 /nfs/dbraw/zinc/86/43/19/712864319.db2.gz FJCLHPBWOFNMBD-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](CO)C1CC1 ZINC000380304907 712864321 /nfs/dbraw/zinc/86/43/21/712864321.db2.gz FJCLHPBWOFNMBD-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1C[C@@H]1CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720799388 712866511 /nfs/dbraw/zinc/86/65/11/712866511.db2.gz ZRDPBNKBVPGXMY-DOLQZWNJSA-N 1 3 236.281 1.711 20 0 BDADHO C[C@@H]1CC[C@H](NCCC2CCOCC2)C[NH2+]1 ZINC000399084985 958507450 /nfs/dbraw/zinc/50/74/50/958507450.db2.gz UCLOWASFDOYSHJ-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)C ZINC001142781852 961742563 /nfs/dbraw/zinc/74/25/63/961742563.db2.gz SGVUGZWDFABAQK-UHFFFAOYSA-N 1 3 242.367 1.096 20 0 BDADHO C[NH+](C)C1CCC(N2CC[C@@H](O)[C@H](F)C2)CC1 ZINC001168315032 964424774 /nfs/dbraw/zinc/42/47/74/964424774.db2.gz PPMUTMKSWSRNNC-FIYWTHMPSA-N 1 3 244.354 1.264 20 0 BDADHO C[C@@H](CC[NH2+]CC[C@@H]1CCOC1)N(C)C ZINC000697874491 964600633 /nfs/dbraw/zinc/60/06/33/964600633.db2.gz ZHGVEVUPQNSRKQ-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187629 969103454 /nfs/dbraw/zinc/10/34/54/969103454.db2.gz FXAADIBSANZMMY-RVMXOQNASA-N 1 3 244.354 1.121 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253187629 969103463 /nfs/dbraw/zinc/10/34/63/969103463.db2.gz FXAADIBSANZMMY-RVMXOQNASA-N 1 3 244.354 1.121 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2CCC(F)CC2)C1 ZINC001208604498 969155663 /nfs/dbraw/zinc/15/56/63/969155663.db2.gz PIDXYPMOBBRYKF-NSHDSACASA-N 1 3 214.328 1.762 20 0 BDADHO C[N@H+]1CCC[C@H](CN2CCC(F)CC2)C1 ZINC001208604498 969155666 /nfs/dbraw/zinc/15/56/66/969155666.db2.gz PIDXYPMOBBRYKF-NSHDSACASA-N 1 3 214.328 1.762 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]C[Si](C)(C)C ZINC001253406588 969161788 /nfs/dbraw/zinc/16/17/88/969161788.db2.gz QVFRYFHIHAJOCO-JTQLQIEISA-N 1 3 232.444 1.202 20 0 BDADHO CN1CCC[C@@H](C[NH+]2CC3CC(C3)C2)C1 ZINC001208616727 969168991 /nfs/dbraw/zinc/16/89/91/969168991.db2.gz LIWPDZQKQZYSQB-PNESKVBLSA-N 1 3 208.349 1.670 20 0 BDADHO CC[C@H]1C[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000723472272 969318940 /nfs/dbraw/zinc/31/89/40/969318940.db2.gz YHDAQAKEAQWODJ-WISYIIOYSA-N 1 3 212.337 1.223 20 0 BDADHO CN1CCC([N@H+](C)[C@@H]2CCCN(C)CC2)CC1 ZINC001254517047 969701341 /nfs/dbraw/zinc/70/13/41/969701341.db2.gz RLVPCNGHUKPVOA-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCC([N@@H+](C)[C@@H]2CCCN(C)CC2)CC1 ZINC001254517047 969701351 /nfs/dbraw/zinc/70/13/51/969701351.db2.gz RLVPCNGHUKPVOA-CYBMUJFWSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCC[C@@H]([NH+]2CC3CC(C3)C2)CC1 ZINC001254530767 969717693 /nfs/dbraw/zinc/71/76/93/969717693.db2.gz HDKABADKUJVJOM-WXRRBKDZSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[N@@H+]([C@H]2CCCN(C)CC2)CC1(C)C ZINC001254525747 969722393 /nfs/dbraw/zinc/72/23/93/969722393.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CC[N@H+]([C@H]2CCCN(C)CC2)CC1(C)C ZINC001254525747 969722400 /nfs/dbraw/zinc/72/24/00/969722400.db2.gz LUJHUKDNRFOLFV-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC001255941877 970578824 /nfs/dbraw/zinc/57/88/24/970578824.db2.gz YSQGEMJRMMKJCW-IHRRRGAJSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H](C)CO ZINC001255942263 970578992 /nfs/dbraw/zinc/57/89/92/970578992.db2.gz DXKUVHUAXIYTJV-NWDGAFQWSA-N 1 3 216.369 1.325 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC001255955558 970583907 /nfs/dbraw/zinc/58/39/07/970583907.db2.gz BSBVIUAGJMYAGG-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@](C)(O)C1 ZINC001255955558 970583911 /nfs/dbraw/zinc/58/39/11/970583911.db2.gz BSBVIUAGJMYAGG-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC1(CO)CCC1 ZINC001255950268 970584544 /nfs/dbraw/zinc/58/45/44/970584544.db2.gz GOFXCSGFVUUSAF-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C1(CO)CCC1 ZINC001255950268 970584555 /nfs/dbraw/zinc/58/45/55/970584555.db2.gz GOFXCSGFVUUSAF-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CC(N(C)C)C1 ZINC001255956798 970594594 /nfs/dbraw/zinc/59/45/94/970594594.db2.gz MKWPJIBWQABPQP-LBPRGKRZSA-N 1 3 227.396 1.353 20 0 BDADHO CC[N@@H+]1CC[C@@H](N2CCN(CC(C)C)CC2)C1 ZINC001173364354 975338334 /nfs/dbraw/zinc/33/83/34/975338334.db2.gz QUHYEEYNZCMWQC-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO CC[N@H+]1CC[C@@H](N2CCN(CC(C)C)CC2)C1 ZINC001173364354 975338342 /nfs/dbraw/zinc/33/83/42/975338342.db2.gz QUHYEEYNZCMWQC-CQSZACIVSA-N 1 3 239.407 1.354 20 0 BDADHO Cn1ccnc1CN1CCC[C@](C)(C[NH3+])CC1 ZINC001206304963 978385984 /nfs/dbraw/zinc/38/59/84/978385984.db2.gz SECSOECZMKOMCO-ZDUSSCGKSA-N 1 3 236.363 1.371 20 0 BDADHO CC(C)(C)COC(=O)NCCC[NH2+]CCCN ZINC001239325486 980532912 /nfs/dbraw/zinc/53/29/12/980532912.db2.gz SYEMAILNEBGHDJ-UHFFFAOYSA-N 1 3 245.367 1.087 20 0 BDADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205938343 983573860 /nfs/dbraw/zinc/57/38/60/983573860.db2.gz GIQHCWGMHCNPAU-BFHYXJOUSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001205938343 983573869 /nfs/dbraw/zinc/57/38/69/983573869.db2.gz GIQHCWGMHCNPAU-BFHYXJOUSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)=CCC[C@H](C)CN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205938343 983573877 /nfs/dbraw/zinc/57/38/77/983573877.db2.gz GIQHCWGMHCNPAU-BFHYXJOUSA-N 1 3 240.391 1.763 20 0 BDADHO C1C[C@H]2C[C@@H](N[C@@H]3CCC[NH2+]CC3)[C@@H]1O2 ZINC001574801205 984116817 /nfs/dbraw/zinc/11/68/17/984116817.db2.gz OPPZYWNSAKWPPV-WRWGMCAJSA-N 1 3 210.321 1.038 20 0 BDADHO CC(C)OCC[C@@H](C)NC1(C[NH3+])CC1 ZINC001172443705 974805367 /nfs/dbraw/zinc/80/53/67/974805367.db2.gz HFUVWBFVUZDVAO-SNVBAGLBSA-N 1 3 200.326 1.271 20 0 BDADHO C[C@@]1(CO)CCC[N@@H+](C2CCNCC2)CC1 ZINC001246577405 972881689 /nfs/dbraw/zinc/88/16/89/972881689.db2.gz RFYCHGWNJFYNIN-CYBMUJFWSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@@]1(CO)CCC[N@H+](C2CCNCC2)CC1 ZINC001246577405 972881697 /nfs/dbraw/zinc/88/16/97/972881697.db2.gz RFYCHGWNJFYNIN-CYBMUJFWSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@H](C[NH3+])CN(C)[C@@H](C)Cc1ccncc1 ZINC001256726729 970948142 /nfs/dbraw/zinc/94/81/42/970948142.db2.gz BLLOASLMTXXPHI-NEPJUHHUSA-N 1 3 221.348 1.539 20 0 BDADHO CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246539275 972534444 /nfs/dbraw/zinc/53/44/44/972534444.db2.gz GTKFGRFGRNNATL-LOWDOPEQSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@H]1CCC[C@@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC001246539275 972534454 /nfs/dbraw/zinc/53/44/54/972534454.db2.gz GTKFGRFGRNNATL-LOWDOPEQSA-N 1 3 226.364 1.471 20 0 BDADHO CC(C)N(c1cc(N)ccn1)[C@H]1CC[NH2+]C1 ZINC001158023166 971021862 /nfs/dbraw/zinc/02/18/62/971021862.db2.gz UOBFORGPENWGQA-NSHDSACASA-N 1 3 220.320 1.241 20 0 BDADHO COCC1C[NH+](C2CCN(C(C)C)CC2)C1 ZINC001257213466 971127338 /nfs/dbraw/zinc/12/73/38/971127338.db2.gz OCOYIRNIDPKFLG-UHFFFAOYSA-N 1 3 226.364 1.437 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@H](O)C[C@@H]2C)CC1 ZINC001257217826 971133904 /nfs/dbraw/zinc/13/39/04/971133904.db2.gz PDEJDPZZVKOPIZ-JSGCOSHPSA-N 1 3 240.391 1.704 20 0 BDADHO CCc1cc(NCC2CN(C)C2)cc[nH+]1 ZINC000307772057 971174787 /nfs/dbraw/zinc/17/47/87/971174787.db2.gz OSXGKKRFECXVBT-UHFFFAOYSA-N 1 3 205.305 1.618 20 0 BDADHO C[C@H](Nc1c[nH]cc2ccnc1-2)[C@@H]1C[NH2+]CCO1 ZINC001170568978 971204836 /nfs/dbraw/zinc/20/48/36/971204836.db2.gz QHPLMEZQTGIUIG-CABZTGNLSA-N 1 3 246.314 1.352 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000405203089 971206610 /nfs/dbraw/zinc/20/66/10/971206610.db2.gz BVCXZJCYAIZGIE-AXFHLTTASA-N 1 3 212.337 1.007 20 0 BDADHO CCC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405203089 971206623 /nfs/dbraw/zinc/20/66/23/971206623.db2.gz BVCXZJCYAIZGIE-AXFHLTTASA-N 1 3 212.337 1.007 20 0 BDADHO c1cc2c[nH+]c(N3CCN4CC[C@H]4C3)cc2[nH]1 ZINC001158422468 971221675 /nfs/dbraw/zinc/22/16/75/971221675.db2.gz AXVHPRSKTILIST-NSHDSACASA-N 1 3 228.299 1.457 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@@H](C)[C@H]1C)C[NH+](C)C ZINC000405608547 971282294 /nfs/dbraw/zinc/28/22/94/971282294.db2.gz OZPODCKHLJYYQF-WISYIIOYSA-N 1 3 214.353 1.197 20 0 BDADHO Cc1c[nH+]c(N2CCN(C(C)C)[C@@H](C)C2)cc1N ZINC001158495603 971288465 /nfs/dbraw/zinc/28/84/65/971288465.db2.gz ZNXUSPJUGLWTCK-LBPRGKRZSA-N 1 3 248.374 1.891 20 0 BDADHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CC)CC1 ZINC001257436199 971346497 /nfs/dbraw/zinc/34/64/97/971346497.db2.gz KEHLLEHBSWXMSD-NSHDSACASA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CC)CC1 ZINC001257436199 971346502 /nfs/dbraw/zinc/34/65/02/971346502.db2.gz KEHLLEHBSWXMSD-NSHDSACASA-N 1 3 242.363 1.531 20 0 BDADHO Cc1ccc(-c2nnc(C[C@@H]([NH3+])CN)o2)cc1C ZINC001217726968 971366830 /nfs/dbraw/zinc/36/68/30/971366830.db2.gz QBLJKKCGFYJCGM-LLVKDONJSA-N 1 3 246.314 1.182 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217782515 971404499 /nfs/dbraw/zinc/40/44/99/971404499.db2.gz VXBQVYGPEJSLGZ-IJLUTSLNSA-N 1 3 242.363 1.116 20 0 BDADHO C[C@@H](CN)C[NH2+]C1CCC2(COC2)CC1 ZINC001257900637 971533102 /nfs/dbraw/zinc/53/31/02/971533102.db2.gz GVOBPJYXVRPAMK-JTQLQIEISA-N 1 3 212.337 1.130 20 0 BDADHO CC(C)CN1CCC([NH2+]CC2COC2)CC1 ZINC001258001395 971551378 /nfs/dbraw/zinc/55/13/78/971551378.db2.gz PAFZGYJDEOSXHG-UHFFFAOYSA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)C[NH+]1CCC(n2nncc2CN)CC1 ZINC001258003723 971554295 /nfs/dbraw/zinc/55/42/95/971554295.db2.gz RYRIGDDILBYYHP-UHFFFAOYSA-N 1 3 237.351 1.030 20 0 BDADHO CC(C)C[NH+]1CCC(N2CC[C@](C)(O)C2)CC1 ZINC001258013443 971555118 /nfs/dbraw/zinc/55/51/18/971555118.db2.gz RBYBDFQHJIUQPU-AWEZNQCLSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1C[C@@H](Oc2cccc3c2CNC3)CC[NH2+]1 ZINC001218059456 971594672 /nfs/dbraw/zinc/59/46/72/971594672.db2.gz JLAOAPQMFRQSHQ-JQWIXIFHSA-N 1 3 232.327 1.809 20 0 BDADHO F[C@H]1C[NH2+]CC[C@H]1Oc1cccc2c1CNC2 ZINC001218069714 971592568 /nfs/dbraw/zinc/59/25/68/971592568.db2.gz JZTDENSPONGTGD-WCQYABFASA-N 1 3 236.290 1.369 20 0 BDADHO CN(C)Cc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218283410 971677208 /nfs/dbraw/zinc/67/72/08/971677208.db2.gz IAEHUAWPXBDVTR-CYBMUJFWSA-N 1 3 234.343 1.879 20 0 BDADHO CC(C)[N@H+](CCCN)[C@H]1CCCOCC1 ZINC001170777326 971804428 /nfs/dbraw/zinc/80/44/28/971804428.db2.gz ZFMHHQOEHBXJFW-LBPRGKRZSA-N 1 3 214.353 1.615 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@H]1CCCOCC1 ZINC001170777326 971804434 /nfs/dbraw/zinc/80/44/34/971804434.db2.gz ZFMHHQOEHBXJFW-LBPRGKRZSA-N 1 3 214.353 1.615 20 0 BDADHO c1cc2c(c(O[C@@H]3CC[C@@H]4C[NH2+]C[C@H]34)c1)CNC2 ZINC001218458806 971824424 /nfs/dbraw/zinc/82/44/24/971824424.db2.gz DJWJVEZUXOTIMI-OSAQELSMSA-N 1 3 244.338 1.667 20 0 BDADHO [NH3+]CC1(F)CCN(CCC(F)(F)F)CC1 ZINC001222527665 972540000 /nfs/dbraw/zinc/54/00/00/972540000.db2.gz OKLXSMYMBRMHOL-UHFFFAOYSA-N 1 3 228.233 1.702 20 0 BDADHO CC[NH+]1CCC(N(C)[C@@H]2COC(C)(C)C2)CC1 ZINC001172287600 974552303 /nfs/dbraw/zinc/55/23/03/974552303.db2.gz YESFZKQBMFHLDV-ZDUSSCGKSA-N 1 3 240.391 1.970 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812982 971885303 /nfs/dbraw/zinc/88/53/03/971885303.db2.gz XWTBFFHBFILKHF-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCOCC3)C[C@@H]2C1 ZINC001170812982 971885309 /nfs/dbraw/zinc/88/53/09/971885309.db2.gz XWTBFFHBFILKHF-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO CC[N@H+](C)C1CCN([C@H]2CCCOCC2)CC1 ZINC001170838728 971959330 /nfs/dbraw/zinc/95/93/30/971959330.db2.gz BIEIOZMTACJFCP-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CC[N@@H+](C)C1CCN([C@H]2CCCOCC2)CC1 ZINC001170838728 971959337 /nfs/dbraw/zinc/95/93/37/971959337.db2.gz BIEIOZMTACJFCP-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO CCN(C)C1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170838728 971959344 /nfs/dbraw/zinc/95/93/44/971959344.db2.gz BIEIOZMTACJFCP-AWEZNQCLSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1c2ccc(N[C@H](N)CCC[NH3+])cc2NC1=O ZINC001170899411 972062186 /nfs/dbraw/zinc/06/21/86/972062186.db2.gz JWFAOFDCZGPFJF-PELKAZGASA-N 1 3 248.330 1.178 20 0 BDADHO C=Cc1ccccc1N[C@@H](N)CCC[NH3+] ZINC001170900313 972066136 /nfs/dbraw/zinc/06/61/36/972066136.db2.gz RSFQYZLKEAYPOH-GFCCVEGCSA-N 1 3 205.305 1.765 20 0 BDADHO Cc1cc(N[C@@H](N)CCC[NH3+])ccc1N(C)C ZINC001170904831 972081462 /nfs/dbraw/zinc/08/14/62/972081462.db2.gz QIHBXGOGICPOCG-CYBMUJFWSA-N 1 3 236.363 1.497 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246086005 972138226 /nfs/dbraw/zinc/13/82/26/972138226.db2.gz YSXJVMLXCDEMBV-FVCCEPFGSA-N 1 3 244.354 1.217 20 0 BDADHO Cc1ccc(CN)nc1N(C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246089733 972142093 /nfs/dbraw/zinc/14/20/93/972142093.db2.gz SDUDSVDPTOXKOC-AAEUAGOBSA-N 1 3 248.374 1.425 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]1CCC[NH2+][C@H]1C ZINC001246115385 972181893 /nfs/dbraw/zinc/18/18/93/972181893.db2.gz YPYJWTRUUDOVNE-RDBSUJKOSA-N 1 3 247.386 1.990 20 0 BDADHO CC[C@@H](C)C[C@H](C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220240891 972184163 /nfs/dbraw/zinc/18/41/63/972184163.db2.gz QLWWHXMIOWVZQI-WOPDTQHZSA-N 1 3 243.395 1.384 20 0 BDADHO CCC1(NC(=O)[C@@H](N)CCC[NH3+])CCCCC1 ZINC001220337602 972210741 /nfs/dbraw/zinc/21/07/41/972210741.db2.gz VPISJAVTAVRELR-NSHDSACASA-N 1 3 241.379 1.282 20 0 BDADHO Cc1cnc(NC[C@@H]2CCCC[NH2+]2)cc1N ZINC001160149901 972219315 /nfs/dbraw/zinc/21/93/15/972219315.db2.gz AGCZSNQHWNNMCO-JTQLQIEISA-N 1 3 220.320 1.526 20 0 BDADHO Cc1c[nH+]ccc1NC1=CCN(C)CC1 ZINC001208718815 957138646 /nfs/dbraw/zinc/13/86/46/957138646.db2.gz MTSZJKWIQZFLOE-UHFFFAOYSA-N 1 3 203.289 1.443 20 0 BDADHO COCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209053648 957307527 /nfs/dbraw/zinc/30/75/27/957307527.db2.gz NWWUWIHJTXSRNQ-UHFFFAOYSA-N 1 3 212.337 1.051 20 0 BDADHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658564 957406204 /nfs/dbraw/zinc/40/62/04/957406204.db2.gz JZHDLEMTMPVDOT-QLFBSQMISA-N 1 3 246.354 1.213 20 0 BDADHO CN1C[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658564 957406217 /nfs/dbraw/zinc/40/62/17/957406217.db2.gz JZHDLEMTMPVDOT-QLFBSQMISA-N 1 3 246.354 1.213 20 0 BDADHO CN1C[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658573 957406926 /nfs/dbraw/zinc/40/69/26/957406926.db2.gz JZHDLEMTMPVDOT-ZNMIVQPWSA-N 1 3 246.354 1.213 20 0 BDADHO CN1C[C@@H]2C[N@H+](C[C@H](O)c3ccccc3)C[C@@H]2C1 ZINC000705658573 957406929 /nfs/dbraw/zinc/40/69/29/957406929.db2.gz JZHDLEMTMPVDOT-ZNMIVQPWSA-N 1 3 246.354 1.213 20 0 BDADHO C[C@@H]1C[C@H]1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001209426954 957450644 /nfs/dbraw/zinc/45/06/44/957450644.db2.gz HAIBRSPHLRUTQB-NEPJUHHUSA-N 1 3 208.349 1.670 20 0 BDADHO CCOC(C)(C)CN1C[C@H](C)CC[C@H]1C[NH3+] ZINC000705780745 957484110 /nfs/dbraw/zinc/48/41/10/957484110.db2.gz OTZUCEFKSPQODX-NEPJUHHUSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1Cc2cccc(F)c2C1 ZINC001246307303 972270802 /nfs/dbraw/zinc/27/08/02/972270802.db2.gz WIUFENGXCXXDNH-GXSJLCMTSA-N 1 3 222.307 1.620 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1cccc(OC)c1 ZINC001246313714 972274477 /nfs/dbraw/zinc/27/44/77/972274477.db2.gz KKIKGDMNJCXTIF-DGCLKSJQSA-N 1 3 236.359 1.953 20 0 BDADHO C[NH2+]CC[C@@H](C)N[C@@H]1CNc2ccccc2C1 ZINC001246317016 972274556 /nfs/dbraw/zinc/27/45/56/972274556.db2.gz PYMDMUGMNPJLNZ-YPMHNXCESA-N 1 3 233.359 1.611 20 0 BDADHO CCC[C@@H](CCO)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246358447 972303582 /nfs/dbraw/zinc/30/35/82/972303582.db2.gz FFSMSIJLNXZKOP-SRVKXCTJSA-N 1 3 214.353 1.268 20 0 BDADHO CC(C)P(CCNC(=O)[C@@H](C)C[NH3+])C(C)C ZINC001221254760 972307279 /nfs/dbraw/zinc/30/72/79/972307279.db2.gz SITGRGCCDKLLPN-NSHDSACASA-N 1 3 246.335 1.996 20 0 BDADHO Cc1cccc2c1CC[C@H]([NH2+][C@H]1CC13CNC3)C2 ZINC001246443110 972315781 /nfs/dbraw/zinc/31/57/81/972315781.db2.gz FTAWLQSUEJKCQT-ZFWWWQNUSA-N 1 3 242.366 1.804 20 0 BDADHO COC1(C)CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 ZINC000381089654 958302459 /nfs/dbraw/zinc/30/24/59/958302459.db2.gz USXPBUOLJIPYSE-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO COC1(C)CCN([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000381089654 958302477 /nfs/dbraw/zinc/30/24/77/958302477.db2.gz USXPBUOLJIPYSE-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)CN1 ZINC000399224527 958568995 /nfs/dbraw/zinc/56/89/95/958568995.db2.gz MAMWIHPSLVJQNC-VHDGCEQUSA-N 1 3 248.370 1.320 20 0 BDADHO Cc1ccc(CN2CCNC3(CC[NH2+]CC3)C2)o1 ZINC001222086104 972363465 /nfs/dbraw/zinc/36/34/65/972363465.db2.gz SIYOGAKOTGAPPZ-UHFFFAOYSA-N 1 3 249.358 1.115 20 0 BDADHO Cc1cc(C)[nH+]c(NCC2CN(C)C2)c1 ZINC000707939760 958846593 /nfs/dbraw/zinc/84/65/93/958846593.db2.gz GOJJDGLVAHXAPM-UHFFFAOYSA-N 1 3 205.305 1.672 20 0 BDADHO C[C@@H]1CN(CC(C)(C)C[NH+](C)C)CC[C@@]1(C)O ZINC001207276454 958848491 /nfs/dbraw/zinc/84/84/91/958848491.db2.gz WWSPKQUPOVIIOX-TZMCWYRMSA-N 1 3 242.407 1.667 20 0 BDADHO NC[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000308868044 959531969 /nfs/dbraw/zinc/53/19/69/959531969.db2.gz RHYYKOYQDLWTAL-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000308868044 959531973 /nfs/dbraw/zinc/53/19/73/959531973.db2.gz RHYYKOYQDLWTAL-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@H]1CC[C@H](Oc2cccc3c2CNC3)C[NH2+]1 ZINC001218402821 960064950 /nfs/dbraw/zinc/06/49/50/960064950.db2.gz WJYAWNIBEDHEHH-JQWIXIFHSA-N 1 3 232.327 1.809 20 0 BDADHO CO[C@@H]1CCC[C@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC000708889153 960077750 /nfs/dbraw/zinc/07/77/50/960077750.db2.gz GTKFGRFGRNNATL-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO CO[C@@H]1CCC[C@H]([N@H+]2C[C@H](C)[C@H](CN)C2)C1 ZINC000708889153 960077756 /nfs/dbraw/zinc/07/77/56/960077756.db2.gz GTKFGRFGRNNATL-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN(c3ccnc(CO)c3)C2)C1 ZINC000310901615 960482280 /nfs/dbraw/zinc/48/22/80/960482280.db2.gz BCQISAISWLHAFX-AWEZNQCLSA-N 1 3 247.342 1.106 20 0 BDADHO C[N@H+]1CC[C@]2(CCN(c3ccnc(CO)c3)C2)C1 ZINC000310901615 960482289 /nfs/dbraw/zinc/48/22/89/960482289.db2.gz BCQISAISWLHAFX-AWEZNQCLSA-N 1 3 247.342 1.106 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CCN1 ZINC000709329911 960516731 /nfs/dbraw/zinc/51/67/31/960516731.db2.gz JJHJJQYAOOMECO-WCBMZHEXSA-N 1 3 218.291 1.762 20 0 BDADHO OC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000709392649 960555885 /nfs/dbraw/zinc/55/58/85/960555885.db2.gz QSSPYQSIXPPUFO-FOSCPWQOSA-N 1 3 224.348 1.164 20 0 BDADHO CCN(CC[NH+](C)C)Cc1cnc2cc[nH]cc1-2 ZINC001140799576 960579949 /nfs/dbraw/zinc/57/99/49/960579949.db2.gz GHOKRSWFBBZWGC-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CC[N@H+](CCN(C)C)Cc1c[nH]c2ccncc12 ZINC001140799576 960579954 /nfs/dbraw/zinc/57/99/54/960579954.db2.gz GHOKRSWFBBZWGC-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CC[N@@H+](CCN(C)C)Cc1c[nH]c2ccncc12 ZINC001140799576 960579959 /nfs/dbraw/zinc/57/99/59/960579959.db2.gz GHOKRSWFBBZWGC-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CCN(CC[NH+](C)C)Cc1c[nH]c2ccncc12 ZINC001140799576 960579968 /nfs/dbraw/zinc/57/99/68/960579968.db2.gz GHOKRSWFBBZWGC-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CCC(CC)C[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222492337 972522673 /nfs/dbraw/zinc/52/26/73/972522673.db2.gz SSBIBAXHXZYXBU-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO CCC(CC)C[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222492337 972522692 /nfs/dbraw/zinc/52/26/92/972522692.db2.gz SSBIBAXHXZYXBU-KBPBESRZSA-N 1 3 239.407 1.448 20 0 BDADHO COC(C)(C)C[NH2+][C@H]1CCN[C@H](C)C1 ZINC000709373690 961267305 /nfs/dbraw/zinc/26/73/05/961267305.db2.gz IFSNJOBTVSUFKV-ZJUUUORDSA-N 1 3 200.326 1.142 20 0 BDADHO COC(C)(C)CN[C@H]1CC[NH2+][C@H](C)C1 ZINC000709373690 961267325 /nfs/dbraw/zinc/26/73/25/961267325.db2.gz IFSNJOBTVSUFKV-ZJUUUORDSA-N 1 3 200.326 1.142 20 0 BDADHO N=C(Nc1nccc2c1CCN2)SCC[NH3+] ZINC001167908941 961812243 /nfs/dbraw/zinc/81/22/43/961812243.db2.gz BRLKKXCYOJAYEP-UHFFFAOYSA-N 1 3 237.332 1.088 20 0 BDADHO CCOC1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710718661 962445209 /nfs/dbraw/zinc/44/52/09/962445209.db2.gz LVCDLFHBZIXEEY-FUNVUKJBSA-N 1 3 238.375 1.770 20 0 BDADHO N[C@H]1CCC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769362 962974925 /nfs/dbraw/zinc/97/49/25/962974925.db2.gz STYXGGIGLULXPZ-NWDGAFQWSA-N 1 3 240.347 1.095 20 0 BDADHO N[C@H]1CCC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769362 962974933 /nfs/dbraw/zinc/97/49/33/962974933.db2.gz STYXGGIGLULXPZ-NWDGAFQWSA-N 1 3 240.347 1.095 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769369 962975520 /nfs/dbraw/zinc/97/55/20/962975520.db2.gz STYXGGIGLULXPZ-VXGBXAGGSA-N 1 3 240.347 1.095 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC000712769369 962975531 /nfs/dbraw/zinc/97/55/31/962975531.db2.gz STYXGGIGLULXPZ-VXGBXAGGSA-N 1 3 240.347 1.095 20 0 BDADHO Cc1cc(C)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155537127 963106298 /nfs/dbraw/zinc/10/62/98/963106298.db2.gz AUMCFSBDPTZIFR-DGCLKSJQSA-N 1 3 233.315 1.241 20 0 BDADHO Cc1cnc(N(C)[C@]2(C)CCC[NH2+]C2)cc1N ZINC001156967536 963500938 /nfs/dbraw/zinc/50/09/38/963500938.db2.gz BAEQMSOCWVDHHC-CYBMUJFWSA-N 1 3 234.347 1.551 20 0 BDADHO CCC[N@H+](CCCN)[C@@H]1CCO[C@@H](C)C1 ZINC001168074092 963608478 /nfs/dbraw/zinc/60/84/78/963608478.db2.gz HCVJKZVKMHEISD-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H]1CCO[C@@H](C)C1 ZINC001168074092 963608484 /nfs/dbraw/zinc/60/84/84/963608484.db2.gz HCVJKZVKMHEISD-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO OCCC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000697029331 963664044 /nfs/dbraw/zinc/66/40/44/963664044.db2.gz LZKLIHXDQNWPGN-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO C[NH+](C)Cc1ccnc(N2CCN3CC[C@@H]3C2)c1 ZINC001158431094 963871661 /nfs/dbraw/zinc/87/16/61/963871661.db2.gz NJBLJNDJWBTFCN-CYBMUJFWSA-N 1 3 246.358 1.038 20 0 BDADHO C[C@@]1(C[NH3+])CCCN(c2cccc(N)n2)C1 ZINC001158674891 963900785 /nfs/dbraw/zinc/90/07/85/963900785.db2.gz DNIMOMJBTIMXSW-LBPRGKRZSA-N 1 3 220.320 1.229 20 0 BDADHO CO[C@@H]1CN(c2cc3[nH]ccc3c(C)n2)C[C@@H]1[NH3+] ZINC001158711049 963905330 /nfs/dbraw/zinc/90/53/30/963905330.db2.gz LQPGGXYCONRGBO-CMPLNLGQSA-N 1 3 246.314 1.034 20 0 BDADHO CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001482890095 964232571 /nfs/dbraw/zinc/23/25/71/964232571.db2.gz VNGFDYSQASZZFZ-VXGBXAGGSA-N 1 3 243.395 1.077 20 0 BDADHO CN(C)c1cc[nH+]c(Nc2ccc(CN)nc2)c1 ZINC001160402403 964297998 /nfs/dbraw/zinc/29/79/98/964297998.db2.gz SKSHFDJRWSBDQK-UHFFFAOYSA-N 1 3 243.314 1.745 20 0 BDADHO C[NH+](C)C1CCC(Nc2ccc(CN)nc2)CC1 ZINC001168304006 964399229 /nfs/dbraw/zinc/39/92/29/964399229.db2.gz JGGRKDJOZXEKFK-UHFFFAOYSA-N 1 3 248.374 1.825 20 0 BDADHO C[C@H]1COCCN1C1CCC([NH+](C)C)CC1 ZINC001168315484 964426995 /nfs/dbraw/zinc/42/69/95/964426995.db2.gz WEFHVSSWVAWRCL-HIFPTAJRSA-N 1 3 226.364 1.580 20 0 BDADHO C[C@@H](CC[NH2+]C[C@H]1CCSC1)N(C)C ZINC000697873162 964598769 /nfs/dbraw/zinc/59/87/69/964598769.db2.gz UCHPWALQMLUFQY-WDEREUQCSA-N 1 3 216.394 1.669 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CCOC[C@H]1C)N(C)C ZINC000697891326 964650489 /nfs/dbraw/zinc/65/04/89/964650489.db2.gz RLPBRZIHCRKVBK-WOPDTQHZSA-N 1 3 214.353 1.341 20 0 BDADHO C[NH+](C)CCCCNc1ccc2c(=O)[nH]cc-2[nH]1 ZINC001161724443 964716245 /nfs/dbraw/zinc/71/62/45/964716245.db2.gz IRTXQPKEIDMBAC-UHFFFAOYSA-N 1 3 248.330 1.079 20 0 BDADHO C[N@@H+]1CCCC[C@@H]1CO[C@@H]1CN2CCC1CC2 ZINC001224700899 964885319 /nfs/dbraw/zinc/88/53/19/964885319.db2.gz BVPHTCKMTDXHIU-ZIAGYGMSSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCCC[C@@H]1CO[C@@H]1CN2CCC1CC2 ZINC001224700899 964885333 /nfs/dbraw/zinc/88/53/33/964885333.db2.gz BVPHTCKMTDXHIU-ZIAGYGMSSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C1 ZINC001224704452 964890622 /nfs/dbraw/zinc/89/06/22/964890622.db2.gz YXEVTHAJHSAGNP-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CC[C@@H](OC[C@H]2CCCC[N@H+]2C)C1 ZINC001224704452 964890626 /nfs/dbraw/zinc/89/06/26/964890626.db2.gz YXEVTHAJHSAGNP-VXGBXAGGSA-N 1 3 212.337 1.191 20 0 BDADHO Nc1ccnc2cc(-n3cnc(C[NH3+])c3)ccc12 ZINC001162304257 964919325 /nfs/dbraw/zinc/91/93/25/964919325.db2.gz ODNJLTLWPHSKAZ-UHFFFAOYSA-N 1 3 239.282 1.461 20 0 BDADHO NCc1cn(-c2cccc3c2CC[C@@H]3[NH3+])cn1 ZINC001162304797 964920858 /nfs/dbraw/zinc/92/08/58/964920858.db2.gz SJXYYIJKUXXPNL-LBPRGKRZSA-N 1 3 228.299 1.277 20 0 BDADHO CN(C)Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)nc1 ZINC001162395598 964957221 /nfs/dbraw/zinc/95/72/21/964957221.db2.gz VJLGIZFKYDOBMZ-STQMWFEESA-N 1 3 248.374 1.825 20 0 BDADHO C(C1CC1)[NH+]1CCC(N2CCN3CC[C@@H]3C2)CC1 ZINC001168395236 965146910 /nfs/dbraw/zinc/14/69/10/965146910.db2.gz RVPHIDVWGCOZRI-OAHLLOKOSA-N 1 3 249.402 1.251 20 0 BDADHO c1cc2c[nH]cc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c-2n1 ZINC001163203590 965301088 /nfs/dbraw/zinc/30/10/88/965301088.db2.gz ZUZSOBBNUXNFTA-ZWNOBZJWSA-N 1 3 244.298 1.106 20 0 BDADHO c1cc2cncc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2[nH]1 ZINC001163203590 965301093 /nfs/dbraw/zinc/30/10/93/965301093.db2.gz ZUZSOBBNUXNFTA-ZWNOBZJWSA-N 1 3 244.298 1.106 20 0 BDADHO C[C@H]1CN(Cc2cccc(N(C)C)c2)C[C@H]1C[NH3+] ZINC001205140831 966022344 /nfs/dbraw/zinc/02/23/44/966022344.db2.gz OQZREEFAUMXJJV-GXTWGEPZSA-N 1 3 247.386 1.779 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000699826995 966119966 /nfs/dbraw/zinc/11/99/66/966119966.db2.gz AHCMTRNEZKTBEE-GFCCVEGCSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000699826995 966119978 /nfs/dbraw/zinc/11/99/78/966119978.db2.gz AHCMTRNEZKTBEE-GFCCVEGCSA-N 1 3 236.363 1.251 20 0 BDADHO CO[C@@H]1CCC[N@H+](C[C@H](N)Cc2ccccc2)C1 ZINC000299988251 966242315 /nfs/dbraw/zinc/24/23/15/966242315.db2.gz BRHJTZQHBYZXQC-HUUCEWRRSA-N 1 3 248.370 1.667 20 0 BDADHO CO[C@@H]1CCC[N@@H+](C[C@H](N)Cc2ccccc2)C1 ZINC000299988251 966242330 /nfs/dbraw/zinc/24/23/30/966242330.db2.gz BRHJTZQHBYZXQC-HUUCEWRRSA-N 1 3 248.370 1.667 20 0 BDADHO [NH3+]CC1(CC(=O)Nc2cccc3c2CNC3)CC1 ZINC001522510424 966516413 /nfs/dbraw/zinc/51/64/13/966516413.db2.gz AOQWQNAADPSPDQ-UHFFFAOYSA-N 1 3 245.326 1.357 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCSC3)[C@@H]2C1 ZINC001204089816 966889783 /nfs/dbraw/zinc/88/97/83/966889783.db2.gz RKENJFLURRXQGD-RVMXOQNASA-N 1 3 240.416 1.669 20 0 BDADHO C[C@@]1([NH3+])CCN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001204789912 967171477 /nfs/dbraw/zinc/17/14/77/967171477.db2.gz DXRHFPVXGZXJAE-CYBMUJFWSA-N 1 3 230.315 1.486 20 0 BDADHO C[C@@]1([NH3+])CCN(Cc2cc3cnccc3[nH]2)C1 ZINC001204789912 967171485 /nfs/dbraw/zinc/17/14/85/967171485.db2.gz DXRHFPVXGZXJAE-CYBMUJFWSA-N 1 3 230.315 1.486 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715562824 967182354 /nfs/dbraw/zinc/18/23/54/967182354.db2.gz RIJOGBPEROQLCX-JHJVBQTASA-N 1 3 228.380 1.466 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2c[nH]c3ncccc23)CC1 ZINC001205101408 967347482 /nfs/dbraw/zinc/34/74/82/967347482.db2.gz FCDZLMAYQRNIDX-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO Nc1ccccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205124430 967372492 /nfs/dbraw/zinc/37/24/92/967372492.db2.gz RHLZTASBCPLZSF-GFCCVEGCSA-N 1 3 219.332 1.582 20 0 BDADHO C[C@H](CN1C[C@H](C)[C@H](C[NH3+])C1)C(F)(F)F ZINC001205130852 967378406 /nfs/dbraw/zinc/37/84/06/967378406.db2.gz MJOCPMIJZASZSG-DJLDLDEBSA-N 1 3 224.270 1.711 20 0 BDADHO Cn1cncc1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205545373 967685220 /nfs/dbraw/zinc/68/52/20/967685220.db2.gz FUVWIMORNXLVAS-GFCCVEGCSA-N 1 3 240.326 1.073 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)O1 ZINC000701568301 967815846 /nfs/dbraw/zinc/81/58/46/967815846.db2.gz MQAHWKGYPPHVMI-FVCCEPFGSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H](N)C23CCC3)O1 ZINC000701568301 967815847 /nfs/dbraw/zinc/81/58/47/967815847.db2.gz MQAHWKGYPPHVMI-FVCCEPFGSA-N 1 3 238.375 1.804 20 0 BDADHO CS[C@H](C)CC[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863427 967863966 /nfs/dbraw/zinc/86/39/66/967863966.db2.gz SCAHYUUPGHOGBC-MXWKQRLJSA-N 1 3 216.394 1.797 20 0 BDADHO CS[C@H](C)CC[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001205863427 967863968 /nfs/dbraw/zinc/86/39/68/967863968.db2.gz SCAHYUUPGHOGBC-MXWKQRLJSA-N 1 3 216.394 1.797 20 0 BDADHO C[C@H]1CN(Cc2ncco2)CCC[C@H]1C[NH3+] ZINC001206003764 967959729 /nfs/dbraw/zinc/95/97/29/967959729.db2.gz MHWLPEXEWKKADE-QWRGUYRKSA-N 1 3 223.320 1.481 20 0 BDADHO Cn1cnc(CN2CCC[C@@](C)(C[NH3+])CC2)c1 ZINC001206305463 968212776 /nfs/dbraw/zinc/21/27/76/968212776.db2.gz ZVSHHZUYWPALPM-CYBMUJFWSA-N 1 3 236.363 1.371 20 0 BDADHO CN(C)CCC(C)(C)[NH2+]C[C@H](O)C(F)(F)F ZINC001250996062 968241316 /nfs/dbraw/zinc/24/13/16/968241316.db2.gz PISFDUKUIMBIPY-QMMMGPOBSA-N 1 3 242.285 1.230 20 0 BDADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457945 968319212 /nfs/dbraw/zinc/31/92/12/968319212.db2.gz VPPNACOKRJHPKT-RFQIPJPRSA-N 1 3 238.375 1.230 20 0 BDADHO CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457945 968319220 /nfs/dbraw/zinc/31/92/20/968319220.db2.gz VPPNACOKRJHPKT-RFQIPJPRSA-N 1 3 238.375 1.230 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCCC2(COC2)C1 ZINC001207280278 968711737 /nfs/dbraw/zinc/71/17/37/968711737.db2.gz SUOLVKGRSISIKL-UHFFFAOYSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H]1CCCN1CC(C)(C)C[NH+](C)C ZINC001207275411 968713953 /nfs/dbraw/zinc/71/39/53/968713953.db2.gz NJVZLUOAGKPOME-GFCCVEGCSA-N 1 3 228.380 1.685 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001207479014 968794754 /nfs/dbraw/zinc/79/47/54/968794754.db2.gz ARVUCGYAMMUJLH-BETUJISGSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001207835419 968895315 /nfs/dbraw/zinc/89/53/15/968895315.db2.gz CBQBETLIYSJQOA-FDYHWXHSSA-N 1 3 226.364 1.341 20 0 BDADHO CC[C@@H]1COCCN1CC1(C)CC[NH+](C)CC1 ZINC001208109615 969006412 /nfs/dbraw/zinc/00/64/12/969006412.db2.gz QJDWNJVZKXZDSM-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO [NH3+]Cc1ccc(-c2ncnc3c2CCNC3)cc1 ZINC001241911530 969143038 /nfs/dbraw/zinc/14/30/38/969143038.db2.gz MYMXFJUWPYTLPU-UHFFFAOYSA-N 1 3 240.310 1.248 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC001253406699 969163574 /nfs/dbraw/zinc/16/35/74/969163574.db2.gz ALUJBEAQIJPEOC-RYUDHWBXSA-N 1 3 242.407 1.904 20 0 BDADHO CCN1C[C@@H]2C[NH+](C[C@@H]3CCC=CO3)C[C@H]2C1 ZINC001208883885 969275518 /nfs/dbraw/zinc/27/55/18/969275518.db2.gz APNOEQOYDLJJCB-MCIONIFRSA-N 1 3 236.359 1.563 20 0 BDADHO Cc1cc(CN)nn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169093589 969386914 /nfs/dbraw/zinc/38/69/14/969386914.db2.gz IUGGRRBKYJKYMO-CLLJXQQHSA-N 1 3 234.347 1.448 20 0 BDADHO Cc1cc(CN)nn1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169093589 969386921 /nfs/dbraw/zinc/38/69/21/969386921.db2.gz IUGGRRBKYJKYMO-CLLJXQQHSA-N 1 3 234.347 1.448 20 0 BDADHO C[C@H](CN(C)C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169096153 969387284 /nfs/dbraw/zinc/38/72/84/969387284.db2.gz VAEVIKBARYCQOI-FVCCEPFGSA-N 1 3 225.380 1.151 20 0 BDADHO COCCN1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209209665 969396656 /nfs/dbraw/zinc/39/66/56/969396656.db2.gz DXJWCRFBNVOWSD-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO COCCN1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001209209665 969396662 /nfs/dbraw/zinc/39/66/62/969396662.db2.gz DXJWCRFBNVOWSD-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO COCC[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209209665 969396675 /nfs/dbraw/zinc/39/66/75/969396675.db2.gz DXJWCRFBNVOWSD-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO COCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001209209665 969396681 /nfs/dbraw/zinc/39/66/81/969396681.db2.gz DXJWCRFBNVOWSD-UONOGXRCSA-N 1 3 240.391 1.972 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCOC[C@@H]1F)C2 ZINC001169119522 969412031 /nfs/dbraw/zinc/41/20/31/969412031.db2.gz SYWYNAHVZIPPQV-WJTVCTBASA-N 1 3 242.338 1.328 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125381 969424087 /nfs/dbraw/zinc/42/40/87/969424087.db2.gz HMHNDUAAMNJCKF-MQYQWHSLSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125381 969424091 /nfs/dbraw/zinc/42/40/91/969424091.db2.gz HMHNDUAAMNJCKF-MQYQWHSLSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001169144139 969465366 /nfs/dbraw/zinc/46/53/66/969465366.db2.gz JTCZAENEDZGHIQ-YIYPIFLZSA-N 1 3 237.391 1.248 20 0 BDADHO C[C@@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001169144139 969465367 /nfs/dbraw/zinc/46/53/67/969465367.db2.gz JTCZAENEDZGHIQ-YIYPIFLZSA-N 1 3 237.391 1.248 20 0 BDADHO CN([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160889 969480247 /nfs/dbraw/zinc/48/02/47/969480247.db2.gz MGHIVTCZMGFTMD-RQJABVFESA-N 1 3 238.375 1.722 20 0 BDADHO CN([C@@H]1CCCOC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169160889 969480254 /nfs/dbraw/zinc/48/02/54/969480254.db2.gz MGHIVTCZMGFTMD-RQJABVFESA-N 1 3 238.375 1.722 20 0 BDADHO CC[NH+]1CCC(N2CCN(C)[C@H](C)C2)CC1 ZINC001169265843 969524715 /nfs/dbraw/zinc/52/47/15/969524715.db2.gz RXJLBSYTNWUKEP-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO C[N@@H+]1CCC[C@@H](NCCc2nncs2)CC1 ZINC001254511085 969678146 /nfs/dbraw/zinc/67/81/46/969678146.db2.gz UYBBHMPIIMSWHY-SNVBAGLBSA-N 1 3 240.376 1.155 20 0 BDADHO C[N@H+]1CCC[C@@H](NCCc2nncs2)CC1 ZINC001254511085 969678149 /nfs/dbraw/zinc/67/81/49/969678149.db2.gz UYBBHMPIIMSWHY-SNVBAGLBSA-N 1 3 240.376 1.155 20 0 BDADHO CN1CCC[C@@H]([NH2+]CCc2nncs2)CC1 ZINC001254511085 969678155 /nfs/dbraw/zinc/67/81/55/969678155.db2.gz UYBBHMPIIMSWHY-SNVBAGLBSA-N 1 3 240.376 1.155 20 0 BDADHO CC(C)N1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516472 969691696 /nfs/dbraw/zinc/69/16/96/969691696.db2.gz MTWQBIYIXMTMJL-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)N1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516472 969691701 /nfs/dbraw/zinc/69/17/01/969691701.db2.gz MTWQBIYIXMTMJL-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CN1CCC[C@H]([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521875 969712923 /nfs/dbraw/zinc/71/29/23/969712923.db2.gz ZIULRYXSJBBFGR-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO CN1CCC[C@H]([N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001254521875 969712937 /nfs/dbraw/zinc/71/29/37/969712937.db2.gz ZIULRYXSJBBFGR-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO c1nn([C@H]2CC3CC[NH+](CC3)C2)c2c1CNCC2 ZINC001254855168 969809226 /nfs/dbraw/zinc/80/92/26/969809226.db2.gz LCQCVTNIARECRC-ZDUSSCGKSA-N 1 3 246.358 1.186 20 0 BDADHO CCN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CC2CCN(CC2)C1 ZINC001254866524 969814444 /nfs/dbraw/zinc/81/44/44/969814444.db2.gz PKKUSRWCEJDDBN-KKUMJFAQSA-N 1 3 249.402 1.249 20 0 BDADHO CCN1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CC2CCN(CC2)C1 ZINC001254866524 969814445 /nfs/dbraw/zinc/81/44/45/969814445.db2.gz PKKUSRWCEJDDBN-KKUMJFAQSA-N 1 3 249.402 1.249 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254937185 969828480 /nfs/dbraw/zinc/82/84/80/969828480.db2.gz ZNZJKGBEMFYDMU-BJDJZHNGSA-N 1 3 236.359 1.604 20 0 BDADHO CN1CC[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001255415269 970134642 /nfs/dbraw/zinc/13/46/42/970134642.db2.gz GRGUUBALCUYFOT-LLVKDONJSA-N 1 3 236.294 1.230 20 0 BDADHO CCN1CCC[N@@H+]([C@H]2CCCN(C)C2)CC1 ZINC001255480965 970220330 /nfs/dbraw/zinc/22/03/30/970220330.db2.gz NAEKXVXTWYHIKX-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CCN1CCC[N@H+]([C@H]2CCCN(C)C2)CC1 ZINC001255480965 970220341 /nfs/dbraw/zinc/22/03/41/970220341.db2.gz NAEKXVXTWYHIKX-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO C[C@H](CC(F)(F)F)NCCC[N@H+](C)CCO ZINC001255646647 970424516 /nfs/dbraw/zinc/42/45/16/970424516.db2.gz QOYZIBXLRUURJC-SECBINFHSA-N 1 3 242.285 1.231 20 0 BDADHO C[C@H](CC(F)(F)F)NCCC[N@@H+](C)CCO ZINC001255646647 970424530 /nfs/dbraw/zinc/42/45/30/970424530.db2.gz QOYZIBXLRUURJC-SECBINFHSA-N 1 3 242.285 1.231 20 0 BDADHO CC[C@@H]1C[C@H]([N@H+](C)C[C@H](C)CN)CCO1 ZINC001170182608 970561035 /nfs/dbraw/zinc/56/10/35/970561035.db2.gz NJWQBDHFWWZNMU-IJLUTSLNSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[C@H]([N@@H+](C)C[C@H](C)CN)CCO1 ZINC001170182608 970561041 /nfs/dbraw/zinc/56/10/41/970561041.db2.gz NJWQBDHFWWZNMU-IJLUTSLNSA-N 1 3 214.353 1.471 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCCCCO ZINC001255940464 970571253 /nfs/dbraw/zinc/57/12/53/970571253.db2.gz YSHNMOWCHSHHFL-CYBMUJFWSA-N 1 3 230.396 1.859 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001255939297 970571635 /nfs/dbraw/zinc/57/16/35/970571635.db2.gz BEARMQITGWZNDU-MGPQQGTHSA-N 1 3 242.407 2.000 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC001255955557 970585567 /nfs/dbraw/zinc/58/55/67/970585567.db2.gz BSBVIUAGJMYAGG-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@](C)(O)C1 ZINC001255955557 970585576 /nfs/dbraw/zinc/58/55/76/970585576.db2.gz BSBVIUAGJMYAGG-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO CN1CC(CNc2cccc3c2CC[C@H]3[NH3+])C1 ZINC001170256427 970638832 /nfs/dbraw/zinc/63/88/32/970638832.db2.gz LPLNWSGESKWFOR-CYBMUJFWSA-N 1 3 231.343 1.606 20 0 BDADHO CN1CC(CNc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001170256089 970639822 /nfs/dbraw/zinc/63/98/22/970639822.db2.gz CROJHRCENJBMJM-UHFFFAOYSA-N 1 3 231.303 1.119 20 0 BDADHO CN1CC(CNc2cccc3c2C[NH2+]CC3)C1 ZINC001170256679 970642283 /nfs/dbraw/zinc/64/22/83/970642283.db2.gz SWSAARAFQCMTAT-UHFFFAOYSA-N 1 3 231.343 1.306 20 0 BDADHO c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)no1 ZINC000400988459 970655266 /nfs/dbraw/zinc/65/52/66/970655266.db2.gz WQWWYFBAHHWWLV-OUAUKWLOSA-N 1 3 221.304 1.152 20 0 BDADHO C[C@H]1C[N@@H+]([C@@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001246544666 972608548 /nfs/dbraw/zinc/60/85/48/972608548.db2.gz YAMZXALAQFNKNP-QJPTWQEYSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H]1C[N@H+]([C@@H]2CCOC(C)(C)C2)C[C@H]1CN ZINC001246544666 972608558 /nfs/dbraw/zinc/60/85/58/972608558.db2.gz YAMZXALAQFNKNP-QJPTWQEYSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)CCN1 ZINC001246552787 972738226 /nfs/dbraw/zinc/73/82/26/972738226.db2.gz VEVBGGIMLQNCJZ-YIYPIFLZSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@](C)(O)CC2)CCN1 ZINC001246552787 972738241 /nfs/dbraw/zinc/73/82/41/972738241.db2.gz VEVBGGIMLQNCJZ-YIYPIFLZSA-N 1 3 240.391 1.610 20 0 BDADHO [NH3+]C[C@H]1CN([C@@H]2C[C@H]3C[C@H]3C2)CCC1(F)F ZINC001246557498 972775617 /nfs/dbraw/zinc/77/56/17/972775617.db2.gz LWWWNLNSTRUFKB-VLEAKVRGSA-N 1 3 230.302 1.701 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599970 973018746 /nfs/dbraw/zinc/01/87/46/973018746.db2.gz QLEVCFUPSOLQEO-FVCCEPFGSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CC[C@H](O)CC2)CCN1 ZINC001246599970 973018766 /nfs/dbraw/zinc/01/87/66/973018766.db2.gz QLEVCFUPSOLQEO-FVCCEPFGSA-N 1 3 226.364 1.362 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CC[C@@]3(N)C1)C2 ZINC001246854668 973173456 /nfs/dbraw/zinc/17/34/56/973173456.db2.gz QNXZIYBFVHBBJL-PEBLQZBPSA-N 1 3 235.375 1.035 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CC[C@@]3(N)C1)C2 ZINC001246854668 973173468 /nfs/dbraw/zinc/17/34/68/973173468.db2.gz QNXZIYBFVHBBJL-PEBLQZBPSA-N 1 3 235.375 1.035 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](N)C1CCCCC1 ZINC001329518642 973809835 /nfs/dbraw/zinc/80/98/35/973809835.db2.gz ADBBLWGHGQGEFI-JBLDHEPKSA-N 1 3 241.379 1.136 20 0 BDADHO Cc1c(N)ccnc1NC[C@@H]1CCCC[NH2+]1 ZINC001171327007 973817839 /nfs/dbraw/zinc/81/78/39/973817839.db2.gz BXMUOFYCMARTMQ-JTQLQIEISA-N 1 3 220.320 1.526 20 0 BDADHO CN1C(C)(C)CC([NH2+]CCCCO)CC1(C)C ZINC001171616928 974112751 /nfs/dbraw/zinc/11/27/51/974112751.db2.gz DPXYDWOZNMDFDG-UHFFFAOYSA-N 1 3 242.407 2.000 20 0 BDADHO CCCC[NH2+]CCCNC(=O)CN(C)CCC ZINC001171763213 974147569 /nfs/dbraw/zinc/14/75/69/974147569.db2.gz VPUVUMNEGKAHLM-UHFFFAOYSA-N 1 3 243.395 1.224 20 0 BDADHO CCN1CC[C@H]([NH2+]C(C)(C)C(C)(C)N)CC1=O ZINC001172031226 974298821 /nfs/dbraw/zinc/29/88/21/974298821.db2.gz HRAMDPCCSIMXLA-JTQLQIEISA-N 1 3 241.379 1.103 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(CO)C1)C2 ZINC001172120037 974378521 /nfs/dbraw/zinc/37/85/21/974378521.db2.gz JEKHNKAIZKKRNK-CLLJXQQHSA-N 1 3 238.375 1.316 20 0 BDADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCN1CCC1)C2 ZINC001172113472 974380021 /nfs/dbraw/zinc/38/00/21/974380021.db2.gz HLCQTIJMIOBSDY-BTTYYORXSA-N 1 3 237.391 1.297 20 0 BDADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCN1CCC1)C2 ZINC001172113472 974380028 /nfs/dbraw/zinc/38/00/28/974380028.db2.gz HLCQTIJMIOBSDY-BTTYYORXSA-N 1 3 237.391 1.297 20 0 BDADHO CC[N@@H+]1CC[C@@H](n2ccc([C@@H](C)N)n2)C1 ZINC001173350661 975294048 /nfs/dbraw/zinc/29/40/48/975294048.db2.gz OJBOLRFFKOORBP-NXEZZACHSA-N 1 3 208.309 1.170 20 0 BDADHO CC[N@H+]1CC[C@@H](n2ccc([C@@H](C)N)n2)C1 ZINC001173350661 975294055 /nfs/dbraw/zinc/29/40/55/975294055.db2.gz OJBOLRFFKOORBP-NXEZZACHSA-N 1 3 208.309 1.170 20 0 BDADHO CCN1CC[C@H]([N@H+](C)C2CCN(CC)CC2)C1 ZINC001173365639 975346980 /nfs/dbraw/zinc/34/69/80/975346980.db2.gz MFUOEZWYJILHQE-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CC[C@H]([N@@H+](C)C2CCN(CC)CC2)C1 ZINC001173365639 975346991 /nfs/dbraw/zinc/34/69/91/975346991.db2.gz MFUOEZWYJILHQE-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2CC(N)C2)C1 ZINC001173638778 975496793 /nfs/dbraw/zinc/49/67/93/975496793.db2.gz ZQWBEQAESDNGLO-VOBJUBJWSA-N 1 3 240.347 1.188 20 0 BDADHO C[NH+]1CCC(CN2CCCc3n[nH]cc3C2)CC1 ZINC001333837102 976111662 /nfs/dbraw/zinc/11/16/62/976111662.db2.gz AIPFYWUHIHQMNQ-UHFFFAOYSA-N 1 3 248.374 1.500 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC000721409591 976627633 /nfs/dbraw/zinc/62/76/33/976627633.db2.gz IENPGKILGLVKHE-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCO[C@@H](C)C1 ZINC000721409591 976627641 /nfs/dbraw/zinc/62/76/41/976627641.db2.gz IENPGKILGLVKHE-VWYCJHECSA-N 1 3 200.326 1.081 20 0 BDADHO CC(C)C[N@H+](C)CCCN[C@H](C)[C@@H](C)O ZINC001335413266 977042176 /nfs/dbraw/zinc/04/21/76/977042176.db2.gz OISYTGSSHKVNFM-VXGBXAGGSA-N 1 3 216.369 1.323 20 0 BDADHO CC(C)C[N@@H+](C)CCCN[C@H](C)[C@@H](C)O ZINC001335413266 977042187 /nfs/dbraw/zinc/04/21/87/977042187.db2.gz OISYTGSSHKVNFM-VXGBXAGGSA-N 1 3 216.369 1.323 20 0 BDADHO c1c2cnccc2[nH]c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001232012761 977839396 /nfs/dbraw/zinc/83/93/96/977839396.db2.gz QLEUWAQUGKPKCK-TXEJJXNPSA-N 1 3 243.310 1.641 20 0 BDADHO c1c2cnccc2[nH]c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001232012761 977839398 /nfs/dbraw/zinc/83/93/98/977839398.db2.gz QLEUWAQUGKPKCK-TXEJJXNPSA-N 1 3 243.310 1.641 20 0 BDADHO CC[C@](O)(C[NH2+]CCCN(C)C)C(F)(F)F ZINC001336711612 977877532 /nfs/dbraw/zinc/87/75/32/977877532.db2.gz ZLUBUQJGIMEUHZ-VIFPVBQESA-N 1 3 242.285 1.231 20 0 BDADHO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001206437476 978970644 /nfs/dbraw/zinc/97/06/44/978970644.db2.gz WCUARTLVPUKJIW-MNOVXSKESA-N 1 3 248.305 1.434 20 0 BDADHO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc3cnccc3[nH]2)C1 ZINC001206437476 978970655 /nfs/dbraw/zinc/97/06/55/978970655.db2.gz WCUARTLVPUKJIW-MNOVXSKESA-N 1 3 248.305 1.434 20 0 BDADHO COC(C)(C)[C@@H]1CCCN1C[C@@H](C)[NH3+] ZINC001235827844 979154815 /nfs/dbraw/zinc/15/48/15/979154815.db2.gz RCPBRFOTBHPJSM-ZJUUUORDSA-N 1 3 200.326 1.223 20 0 BDADHO [NH3+][C@H]1CC=C(C(=O)Nc2cccc3c2CNC3)C1 ZINC001340994936 979188086 /nfs/dbraw/zinc/18/80/86/979188086.db2.gz OUDRFUBZKICIGG-NSHDSACASA-N 1 3 243.310 1.276 20 0 BDADHO N[C@@]12CC[C@H]1C[N@H+](Cc1cccc3c1CCN3)C2 ZINC001235996367 979293460 /nfs/dbraw/zinc/29/34/60/979293460.db2.gz XHSLSAGDRSZMDR-SWLSCSKDSA-N 1 3 243.354 1.578 20 0 BDADHO N[C@@]12CC[C@H]1C[N@@H+](Cc1cccc3c1CCN3)C2 ZINC001235996367 979293468 /nfs/dbraw/zinc/29/34/68/979293468.db2.gz XHSLSAGDRSZMDR-SWLSCSKDSA-N 1 3 243.354 1.578 20 0 BDADHO CC[C@H](C)[C@@H](C(=O)OC)N(C)CCCC[NH3+] ZINC001236091185 979379828 /nfs/dbraw/zinc/37/98/28/979379828.db2.gz URTSFRILCYTGJZ-QWRGUYRKSA-N 1 3 230.352 1.245 20 0 BDADHO C[C@H]1C[N@H+](Cc2cccc3c2CCN3)CCCN1 ZINC001236100976 979389042 /nfs/dbraw/zinc/38/90/42/979389042.db2.gz RGOZQMXGKMVGQC-LBPRGKRZSA-N 1 3 245.370 1.838 20 0 BDADHO C[C@H]1C[N@@H+](Cc2cccc3c2CCN3)CCCN1 ZINC001236100976 979389048 /nfs/dbraw/zinc/38/90/48/979389048.db2.gz RGOZQMXGKMVGQC-LBPRGKRZSA-N 1 3 245.370 1.838 20 0 BDADHO NC[C@H]1CCC[N@@H+]1Cc1ccccc1N ZINC001236252862 979473050 /nfs/dbraw/zinc/47/30/50/979473050.db2.gz QRPIDZZXRMHDGA-LLVKDONJSA-N 1 3 205.305 1.192 20 0 BDADHO NC[C@H]1CCC[N@H+]1Cc1ccccc1N ZINC001236252862 979473057 /nfs/dbraw/zinc/47/30/57/979473057.db2.gz QRPIDZZXRMHDGA-LLVKDONJSA-N 1 3 205.305 1.192 20 0 BDADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC001341778460 979553908 /nfs/dbraw/zinc/55/39/08/979553908.db2.gz SFBFHGONHJHGKB-RYUDHWBXSA-N 1 3 241.379 1.103 20 0 BDADHO OCCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236369641 979570151 /nfs/dbraw/zinc/57/01/51/979570151.db2.gz BDHMIJASZRGEQZ-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO OCCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236369641 979570158 /nfs/dbraw/zinc/57/01/58/979570158.db2.gz BDHMIJASZRGEQZ-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@@]1(C[NH3+])CCCCN(C[C@H]2CCCO2)C1 ZINC001206542137 979646713 /nfs/dbraw/zinc/64/67/13/979646713.db2.gz SETURLQEQVSHPP-OLZOCXBDSA-N 1 3 226.364 1.616 20 0 BDADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C(C)C)N(C)C ZINC001277986663 979672711 /nfs/dbraw/zinc/67/27/11/979672711.db2.gz BHZYKJAMAUNMIY-NEPJUHHUSA-N 1 3 243.395 1.172 20 0 BDADHO CCCC[NH+]1CCC(N(C)CCCCO)CC1 ZINC001236849349 979759963 /nfs/dbraw/zinc/75/99/63/979759963.db2.gz WAXKURARQBCJHK-UHFFFAOYSA-N 1 3 242.407 1.955 20 0 BDADHO C1=C2NCCN(C[C@H]3CCC[NH2+]C3)[C@@H]2CCC1 ZINC001237218586 979848800 /nfs/dbraw/zinc/84/88/00/979848800.db2.gz JJUUGQGLLSOTQH-GXTWGEPZSA-N 1 3 235.375 1.328 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@H]12 ZINC001184387965 980058636 /nfs/dbraw/zinc/05/86/36/980058636.db2.gz OCCXOEJXKHLHGN-FRRDWIJNSA-N 1 3 210.365 1.962 20 0 BDADHO CN1C[C@@H]2CC[C@@H]([NH2+]C3CC(C(F)F)C3)[C@@H]2C1 ZINC001184389158 980062571 /nfs/dbraw/zinc/06/25/71/980062571.db2.gz VIHOCNCPJBEKFK-NPDAHYRHSA-N 1 3 244.329 1.960 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H](C)OC ZINC001184417316 980080611 /nfs/dbraw/zinc/08/06/11/980080611.db2.gz AKKFSYPURKOMFG-VXGBXAGGSA-N 1 3 216.369 1.731 20 0 BDADHO Cc1ncncc1CN1CCC2(C[NH+](C)C2)CC1 ZINC001238178475 980211431 /nfs/dbraw/zinc/21/14/31/980211431.db2.gz MILPXHYOKHCDHN-UHFFFAOYSA-N 1 3 246.358 1.313 20 0 BDADHO [NH3+]Cc1cncc(-c2nccc3c2CCN3)c1 ZINC001239786638 980919126 /nfs/dbraw/zinc/91/91/26/980919126.db2.gz LTUHFIYZJZDGEH-UHFFFAOYSA-N 1 3 226.283 1.570 20 0 BDADHO Nc1ccnc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001240452937 981389292 /nfs/dbraw/zinc/38/92/92/981389292.db2.gz OKHSGBAGCIOUKE-UHFFFAOYSA-N 1 3 225.295 1.977 20 0 BDADHO NC[C@]12CC[C@@H]1CC[N@@H+]2CCOCC1CC1 ZINC001352777519 982574290 /nfs/dbraw/zinc/57/42/90/982574290.db2.gz GVIAQHWVIZPAPM-CHWSQXEVSA-N 1 3 224.348 1.226 20 0 BDADHO NC[C@]12CC[C@@H]1CC[N@H+]2CCOCC1CC1 ZINC001352777519 982574303 /nfs/dbraw/zinc/57/43/03/982574303.db2.gz GVIAQHWVIZPAPM-CHWSQXEVSA-N 1 3 224.348 1.226 20 0 BDADHO Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)nc(N)n1 ZINC001354132222 983170223 /nfs/dbraw/zinc/17/02/23/983170223.db2.gz VRMCGAPWQMBMJN-KCJUWKMLSA-N 1 3 247.346 1.262 20 0 BDADHO Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(N)n1 ZINC001354132222 983170225 /nfs/dbraw/zinc/17/02/25/983170225.db2.gz VRMCGAPWQMBMJN-KCJUWKMLSA-N 1 3 247.346 1.262 20 0 BDADHO NCc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001242026967 983239980 /nfs/dbraw/zinc/23/99/80/983239980.db2.gz UJIKGNBASICVJW-NEPJUHHUSA-N 1 3 215.300 1.448 20 0 BDADHO CCCCN(CCC[NH+](C)C)CCC(=O)OC ZINC001201713803 983421099 /nfs/dbraw/zinc/42/10/99/983421099.db2.gz URSNSEKPFAQRBP-UHFFFAOYSA-N 1 3 244.379 1.603 20 0 BDADHO CC1=C[C@@H](C)[C@H](CN2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205947185 983658010 /nfs/dbraw/zinc/65/80/10/983658010.db2.gz YHSBPCTUSIXWRV-XJFOESAGSA-N 1 3 238.375 1.373 20 0 BDADHO CC1=C[C@@H](C)[C@@H](CN2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205947178 983658314 /nfs/dbraw/zinc/65/83/14/983658314.db2.gz YHSBPCTUSIXWRV-AAVRWANBSA-N 1 3 238.375 1.373 20 0 BDADHO C[C@@]1(NCCC[NH2+]C2CC2)CCO[C@@H]1C1CC1 ZINC001576545533 984171789 /nfs/dbraw/zinc/17/17/89/984171789.db2.gz NNDSSCFCROUGJL-ZIAGYGMSSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@]1([NH2+]CCCNC2CC2)CCO[C@@H]1C1CC1 ZINC001576545533 984171798 /nfs/dbraw/zinc/17/17/98/984171798.db2.gz NNDSSCFCROUGJL-ZIAGYGMSSA-N 1 3 238.375 1.676 20 0 BDADHO CO[C@H](CC[NH2+]CC1(CN)CC1)C(F)(F)F ZINC001578901279 984229675 /nfs/dbraw/zinc/22/96/75/984229675.db2.gz RNWJMTGIZIBFNQ-MRVPVSSYSA-N 1 3 240.269 1.282 20 0 BDADHO COCC[C@H]([NH3+])CNCCCc1ccco1 ZINC001579003658 984256239 /nfs/dbraw/zinc/25/62/39/984256239.db2.gz KQIXAXQGBRZJPA-NSHDSACASA-N 1 3 226.320 1.166 20 0 BDADHO [NH3+][C@H]1CC12CC(N[C@H](CCO)c1ccco1)C2 ZINC001580163849 984410653 /nfs/dbraw/zinc/41/06/53/984410653.db2.gz DXRPZUHLVNTWJZ-FYLGKEKYSA-N 1 3 236.315 1.173 20 0 BDADHO NCC1(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC001580243393 984469280 /nfs/dbraw/zinc/46/92/80/984469280.db2.gz FHDZRXUIGGBJMU-OLZOCXBDSA-N 1 3 238.375 1.112 20 0 BDADHO C1=C(c2ncccc2CN2CCCC2)C[NH2+]C1 ZINC001243107237 984550478 /nfs/dbraw/zinc/55/04/78/984550478.db2.gz FOCDTHYWRYKENZ-UHFFFAOYSA-N 1 3 229.327 1.664 20 0 BDADHO CN1CCc2cc(C3=CC[NH2+]C3)ccc2C1 ZINC001243112499 984579347 /nfs/dbraw/zinc/57/93/47/984579347.db2.gz ZLTXOKACIALXRO-UHFFFAOYSA-N 1 3 214.312 1.661 20 0 BDADHO CCN(CC1CC[NH2+]CC1)C(C)(C)C(=O)OC ZINC001577710787 984649984 /nfs/dbraw/zinc/64/99/84/984649984.db2.gz AHRXPYXPMDABAA-UHFFFAOYSA-N 1 3 242.363 1.260 20 0 BDADHO CCOC(=O)CC(C)(C)CN[C@H](C)CC[NH3+] ZINC001577939489 984821399 /nfs/dbraw/zinc/82/13/99/984821399.db2.gz JLLBXSLSYAPOOA-SNVBAGLBSA-N 1 3 230.352 1.293 20 0 BDADHO CCOC(=O)CC(C)(C)C[NH2+][C@H](C)CCN ZINC001577939489 984821402 /nfs/dbraw/zinc/82/14/02/984821402.db2.gz JLLBXSLSYAPOOA-SNVBAGLBSA-N 1 3 230.352 1.293 20 0 BDADHO CCOC(=O)C[C@@](C)(NC[C@H](C)[NH3+])C(C)C ZINC001577939316 984822004 /nfs/dbraw/zinc/82/20/04/984822004.db2.gz CVMOUDUGIYRXSP-CMPLNLGQSA-N 1 3 230.352 1.291 20 0 BDADHO CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@H](C)N)C1 ZINC001577925395 984823500 /nfs/dbraw/zinc/82/35/00/984823500.db2.gz INBBRUQHPQJUSI-SKMKEBHYSA-N 1 3 228.336 1.044 20 0 BDADHO Cn1ccc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)n1 ZINC001276274507 984839400 /nfs/dbraw/zinc/83/94/00/984839400.db2.gz YMBNWUSPIAJNHU-BETUJISGSA-N 1 3 248.374 1.194 20 0 BDADHO Cn1ccc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)n1 ZINC001276274507 984839401 /nfs/dbraw/zinc/83/94/01/984839401.db2.gz YMBNWUSPIAJNHU-BETUJISGSA-N 1 3 248.374 1.194 20 0 BDADHO CCO[C@@H]1CCC[C@H]1NC[C@]1(C)CC[NH2+]C1 ZINC001578151530 984858092 /nfs/dbraw/zinc/85/80/92/984858092.db2.gz QFPOPQBXKIACKA-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CN(C[C@@H]1CCC[C@@H]1O)CC1(C[NH3+])CCC1 ZINC001578451306 985081091 /nfs/dbraw/zinc/08/10/91/985081091.db2.gz GPMMKSHZSQPADT-RYUDHWBXSA-N 1 3 226.364 1.208 20 0 BDADHO CN(CCCn1ccnc1)C[C@@H]([NH3+])CC(F)F ZINC001578469054 985098366 /nfs/dbraw/zinc/09/83/66/985098366.db2.gz YKJXJQBTGYWVIY-JTQLQIEISA-N 1 3 246.305 1.188 20 0 BDADHO C[N@H+](CCCn1ccnc1)C[C@@H](N)CC(F)F ZINC001578469054 985098378 /nfs/dbraw/zinc/09/83/78/985098378.db2.gz YKJXJQBTGYWVIY-JTQLQIEISA-N 1 3 246.305 1.188 20 0 BDADHO C[N@@H+](CCCn1ccnc1)C[C@@H](N)CC(F)F ZINC001578469054 985098387 /nfs/dbraw/zinc/09/83/87/985098387.db2.gz YKJXJQBTGYWVIY-JTQLQIEISA-N 1 3 246.305 1.188 20 0 BDADHO CN1CCC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC001578528489 985149594 /nfs/dbraw/zinc/14/95/94/985149594.db2.gz IBFZXSBRAMSIMY-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO CNC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC001578653699 985275251 /nfs/dbraw/zinc/27/52/51/985275251.db2.gz CFNSYNXCCFWOMY-SNPRPXQTSA-N 1 3 248.370 1.650 20 0 BDADHO CNC[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC001578653699 985275266 /nfs/dbraw/zinc/27/52/66/985275266.db2.gz CFNSYNXCCFWOMY-SNPRPXQTSA-N 1 3 248.370 1.650 20 0 BDADHO C[NH2+]C[C@H](O)CN1C[C@H](C)C[C@H]1c1ccccc1 ZINC001578653699 985275281 /nfs/dbraw/zinc/27/52/81/985275281.db2.gz CFNSYNXCCFWOMY-SNPRPXQTSA-N 1 3 248.370 1.650 20 0 BDADHO CNc1ccccc1CN1CCC[C@H](C[NH3+])C1 ZINC001578763090 985328602 /nfs/dbraw/zinc/32/86/02/985328602.db2.gz AZPWGXLLEUZAGB-GFCCVEGCSA-N 1 3 233.359 1.899 20 0 BDADHO CO[C@H](C)CNCc1ccc(C[NH3+])cc1F ZINC001578903192 985500141 /nfs/dbraw/zinc/50/01/41/985500141.db2.gz SXTSUGLBLVLYDV-SECBINFHSA-N 1 3 226.295 1.409 20 0 BDADHO C[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000688028879 985500922 /nfs/dbraw/zinc/50/09/22/985500922.db2.gz IMWBYNBRCGOEPN-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)C1CCC1 ZINC001578908959 985502396 /nfs/dbraw/zinc/50/23/96/985502396.db2.gz NKKSODFEHGIKQN-MCIONIFRSA-N 1 3 238.375 1.343 20 0 BDADHO CO[C@H](CN[C@H]1C[C@H]([NH3+])C1)CC(C)C ZINC001578912343 985512898 /nfs/dbraw/zinc/51/28/98/985512898.db2.gz CSZXXSSZVLBCCJ-DCAQKATOSA-N 1 3 200.326 1.127 20 0 BDADHO CO[C@@H](CN[C@H](C[NH3+])C1CC1)CC(C)C ZINC001578913079 985516279 /nfs/dbraw/zinc/51/62/79/985516279.db2.gz RAOKRSLZZGLNER-VXGBXAGGSA-N 1 3 214.353 1.374 20 0 BDADHO COC1(C[C@@H](C)[NH2+][C@H]2C[C@H](N)C2)CCC1 ZINC001578926403 985528235 /nfs/dbraw/zinc/52/82/35/985528235.db2.gz GFRIHAAPJWMIPB-GMTAPVOTSA-N 1 3 212.337 1.413 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578935843 985535766 /nfs/dbraw/zinc/53/57/66/985535766.db2.gz LHACVNJMVCAWTD-ZRUFSTJUSA-N 1 3 210.321 1.023 20 0 BDADHO COC1(CCN2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC001578927366 985537294 /nfs/dbraw/zinc/53/72/94/985537294.db2.gz WLGKMBLFPBHXOW-GXTWGEPZSA-N 1 3 238.375 1.759 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938636 985555953 /nfs/dbraw/zinc/55/59/53/985555953.db2.gz UCEVGOPEUOTFJA-YVECIDJPSA-N 1 3 224.348 1.095 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCNC[C@H]3C2)C1 ZINC001578938636 985555974 /nfs/dbraw/zinc/55/59/74/985555974.db2.gz UCEVGOPEUOTFJA-YVECIDJPSA-N 1 3 224.348 1.095 20 0 BDADHO COC[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001578961037 985579726 /nfs/dbraw/zinc/57/97/26/985579726.db2.gz SPJLGHZOMNMUNL-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO COCC[C@H](N)C[N@@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000041 985647956 /nfs/dbraw/zinc/64/79/56/985647956.db2.gz NHYSUUPKXLUVIN-STQMWFEESA-N 1 3 240.391 1.861 20 0 BDADHO COCC[C@H](N)C[N@H+]1CC2(CCC2)[C@@H]1C(C)C ZINC001579000041 985647967 /nfs/dbraw/zinc/64/79/67/985647967.db2.gz NHYSUUPKXLUVIN-STQMWFEESA-N 1 3 240.391 1.861 20 0 BDADHO COCC[C@H]([NH3+])CN[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC001579004386 985662117 /nfs/dbraw/zinc/66/21/17/985662117.db2.gz TWUOUJHGQRSUQX-SDDRHHMPSA-N 1 3 244.379 1.286 20 0 BDADHO CSC(C)(C)C[C@@H](C)N[C@@H]1COC[C@H]1[NH3+] ZINC001258323259 985806588 /nfs/dbraw/zinc/80/65/88/985806588.db2.gz FOYBBFCOGLEXFQ-OPRDCNLKSA-N 1 3 232.393 1.222 20 0 BDADHO CO[C@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)C1 ZINC001579133481 985807974 /nfs/dbraw/zinc/80/79/74/985807974.db2.gz QYXNHPVOVPKLGX-UTUOFQBUSA-N 1 3 212.337 1.095 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+][C@H]2C[C@@H](N)C2)n1 ZINC001579269375 985829412 /nfs/dbraw/zinc/82/94/12/985829412.db2.gz SQKIWFDHWVSKDM-FOGDFJRCSA-N 1 3 235.331 1.101 20 0 BDADHO CS[C@@H]1CC[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1C ZINC001579366917 985858770 /nfs/dbraw/zinc/85/87/70/985858770.db2.gz GJQJFAMWCBDFJK-VPOLOUISSA-N 1 3 214.378 1.326 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(C[C@H]1CCCC[C@H]1O)C2 ZINC001579473583 985982622 /nfs/dbraw/zinc/98/26/22/985982622.db2.gz GJSVDTFSAZQBTP-SYQHCUMBSA-N 1 3 238.375 1.079 20 0 BDADHO Cc1ccc(CNC/C=C\C[NH3+])c(F)c1 ZINC001579696718 986185946 /nfs/dbraw/zinc/18/59/46/986185946.db2.gz BKJUKXPAPCSXLL-IHWYPQMZSA-N 1 3 208.280 1.739 20 0 BDADHO Cc1nc([C@H](C)N(C)CC2CC[NH2+]CC2)n[nH]1 ZINC001579837657 986259129 /nfs/dbraw/zinc/25/91/29/986259129.db2.gz QDJSPIQYWCLVOX-VIFPVBQESA-N 1 3 237.351 1.106 20 0 BDADHO Cc1ncc(C[NH2+][C@](C)(CN)C(C)C)n1C ZINC001579878834 986294540 /nfs/dbraw/zinc/29/45/40/986294540.db2.gz YZOPTRXNOTZGMQ-GFCCVEGCSA-N 1 3 224.352 1.192 20 0 BDADHO Cn1cc([C@@H]2C[C@H]2C[NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)cn1 ZINC001579969442 986370890 /nfs/dbraw/zinc/37/08/90/986370890.db2.gz KJYODCUJNYUBON-QIWZIZFYSA-N 1 3 246.358 1.006 20 0 BDADHO Cn1cc([C@@H]2C[C@H]2CN2CCC[C@H](C[NH3+])C2)cn1 ZINC001579970452 986374960 /nfs/dbraw/zinc/37/49/60/986374960.db2.gz XJRBWEBCFZVCIW-MBNYWOFBSA-N 1 3 248.374 1.194 20 0 BDADHO FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH2+]CC1CNC1 ZINC001580021230 986416308 /nfs/dbraw/zinc/41/63/08/986416308.db2.gz NQUMEPCRDQQKCN-WDEREUQCSA-N 1 3 248.292 1.940 20 0 BDADHO [NH3+][C@H](CN[C@@H](CO)CC1CCC1)CC(F)F ZINC001580133015 986599797 /nfs/dbraw/zinc/59/97/97/986599797.db2.gz SRXBCDUUERUEJS-VHSXEESVSA-N 1 3 236.306 1.110 20 0 BDADHO c1nc2c(n1[C@H]1CC3CC[NH+](CC3)C1)CNCC2 ZINC001254854035 986732368 /nfs/dbraw/zinc/73/23/68/986732368.db2.gz UZKRVDMUVQDJHI-LBPRGKRZSA-N 1 3 246.358 1.186 20 0 BDADHO CN(C)Cc1cccc(-c2ccncc2C[NH3+])n1 ZINC001245558534 986950953 /nfs/dbraw/zinc/95/09/53/986950953.db2.gz UMJDGPSMAYLSRQ-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO CN(C)Cc1ccnc(-c2ccncc2C[NH3+])c1 ZINC001245558530 986951635 /nfs/dbraw/zinc/95/16/35/986951635.db2.gz UDOWKBUNTPZCBV-UHFFFAOYSA-N 1 3 242.326 1.664 20 0 BDADHO C[C@H](N)c1ccn(C2CC[NH+](C3CC3)CC2)n1 ZINC001256068697 987124466 /nfs/dbraw/zinc/12/44/66/987124466.db2.gz GEDXOSDVPYYNLY-JTQLQIEISA-N 1 3 234.347 1.702 20 0 BDADHO CCCCC[C@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC001245982545 987255929 /nfs/dbraw/zinc/25/59/29/987255929.db2.gz FWNXGWOTIPVJIZ-OLZOCXBDSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@H]([NH3+])CCNC[C@@H](O)c1ccc(F)c(F)c1 ZINC001245990858 987268809 /nfs/dbraw/zinc/26/88/09/987268809.db2.gz BKSWWKBJLYDLRD-QPUJVOFHSA-N 1 3 244.285 1.325 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC001245999932 987279007 /nfs/dbraw/zinc/27/90/07/987279007.db2.gz KJEZLLSWLHZILS-AAEUAGOBSA-N 1 3 238.331 1.056 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693701564 987313117 /nfs/dbraw/zinc/31/31/17/987313117.db2.gz CTTMYWIZPOICRR-IEECTRCBSA-N 1 3 240.391 1.512 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693701564 987313123 /nfs/dbraw/zinc/31/31/23/987313123.db2.gz CTTMYWIZPOICRR-IEECTRCBSA-N 1 3 240.391 1.512 20 0 BDADHO CCOCCC[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693706468 987313444 /nfs/dbraw/zinc/31/34/44/987313444.db2.gz OYRDMPRSMRSEKN-FRRDWIJNSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)(CO)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693709381 987313567 /nfs/dbraw/zinc/31/35/67/987313567.db2.gz VXWLVKKOXIEOKL-GRYCIOLGSA-N 1 3 240.391 1.371 20 0 BDADHO CC(C)(CO)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693709381 987313574 /nfs/dbraw/zinc/31/35/74/987313574.db2.gz VXWLVKKOXIEOKL-GRYCIOLGSA-N 1 3 240.391 1.371 20 0 BDADHO CCN(C[C@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000697033783 987347955 /nfs/dbraw/zinc/34/79/55/987347955.db2.gz JEGUNDBFYKUQCH-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO CCOCC[C@H](C)[NH2+]C1CCNCC1 ZINC001246077782 987369751 /nfs/dbraw/zinc/36/97/51/987369751.db2.gz KGBHXAFYZNABPD-JTQLQIEISA-N 1 3 200.326 1.143 20 0 BDADHO CC1(C)[C@@H]2C[C@H]([NH2+]C3CCNCC3)C[C@@H]21 ZINC001246082125 987377923 /nfs/dbraw/zinc/37/79/23/987377923.db2.gz WAJMFNWQTACQDU-ZSBIGDGJSA-N 1 3 208.349 1.763 20 0 BDADHO CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089383 987395589 /nfs/dbraw/zinc/39/55/89/987395589.db2.gz PNNUVZNVPPVEHU-FVCCEPFGSA-N 1 3 244.354 1.217 20 0 BDADHO CC(C)OCC[C@@H](C)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246096410 987409077 /nfs/dbraw/zinc/40/90/77/987409077.db2.gz MMWLLGQUMFNLOS-IJLUTSLNSA-N 1 3 232.343 1.480 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001246098135 987413726 /nfs/dbraw/zinc/41/37/26/987413726.db2.gz JGEBHXFABRMSLA-SDDRHHMPSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCOCC2)[NH2+]C1 ZINC001246104107 987426651 /nfs/dbraw/zinc/42/66/51/987426651.db2.gz JHYMXCWWMMDJIS-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](F)C2)CCN1 ZINC001246102931 987427512 /nfs/dbraw/zinc/42/75/12/987427512.db2.gz UHCMVHZKZVOGRJ-GWOFURMSSA-N 1 3 200.301 1.607 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1CN[C@H]1CCCOC1 ZINC001246110941 987447754 /nfs/dbraw/zinc/44/77/54/987447754.db2.gz JSEQECNWIIVKAJ-WOPDTQHZSA-N 1 3 212.337 1.001 20 0 BDADHO CC(C)OCC[C@@H](C)N[C@@H]1C[NH2+]CC[C@H]1C ZINC001246116074 987453582 /nfs/dbraw/zinc/45/35/82/987453582.db2.gz DKWDIJKLYITREK-JHJVBQTASA-N 1 3 228.380 1.778 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1CN[C@H]1COC(C)(C)C1 ZINC001246115282 987456079 /nfs/dbraw/zinc/45/60/79/987456079.db2.gz YKKMTKGSUYJFAZ-SDDRHHMPSA-N 1 3 226.364 1.532 20 0 BDADHO CC1CCC([NH2+][C@@H]2CNCC23CC3)CC1 ZINC001246135804 987490381 /nfs/dbraw/zinc/49/03/81/987490381.db2.gz VOBZQYOATFOSOG-HTAVTVPLSA-N 1 3 208.349 1.907 20 0 BDADHO CCCCC[C@@H](CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135368 987494522 /nfs/dbraw/zinc/49/45/22/987494522.db2.gz RWUIETAOXCZXSC-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)CC[C@H](C)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246151046 987512606 /nfs/dbraw/zinc/51/26/06/987512606.db2.gz VLTSQVMNLOFHTK-IGQOVBAYSA-N 1 3 240.391 1.635 20 0 BDADHO CCOC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246194031 987583417 /nfs/dbraw/zinc/58/34/17/987583417.db2.gz QBTJGLFBYJZIPI-VWYCJHECSA-N 1 3 228.336 1.058 20 0 BDADHO CCCC[C@@H](CO)[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246212621 987610087 /nfs/dbraw/zinc/61/00/87/987610087.db2.gz VZBPKWIJDXLMLG-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO CCCC[C@@H](CO)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246212621 987610089 /nfs/dbraw/zinc/61/00/89/987610089.db2.gz VZBPKWIJDXLMLG-WOPDTQHZSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc3CN2)C[NH2+]1 ZINC001246276979 987671143 /nfs/dbraw/zinc/67/11/43/987671143.db2.gz GPKNZODMKIPFGV-DFBGVHRSSA-N 1 3 245.370 1.041 20 0 BDADHO C[C@H]([NH3+])CCN[C@H]1CCc2ncsc2C1 ZINC001246300104 987696149 /nfs/dbraw/zinc/69/61/49/987696149.db2.gz LMYUUHZHRXUGIR-IUCAKERBSA-N 1 3 225.361 1.327 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CNC[C@@H]2CO)CC(C)(C)C1 ZINC001246304068 987700250 /nfs/dbraw/zinc/70/02/50/987700250.db2.gz GSBYPXQEGNUHOA-FVCCEPFGSA-N 1 3 240.391 1.371 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1ccncc1 ZINC001246306737 987703158 /nfs/dbraw/zinc/70/31/58/987703158.db2.gz SMJVXGUWTVPOOX-QWRGUYRKSA-N 1 3 207.321 1.340 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H](NC[C@@H]([NH3+])CC)C1 ZINC001246320105 987725584 /nfs/dbraw/zinc/72/55/84/987725584.db2.gz XSDXGHHZRJXBNA-GRYCIOLGSA-N 1 3 242.363 1.435 20 0 BDADHO CC(=O)CC(C)(C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246329052 987734671 /nfs/dbraw/zinc/73/46/71/987734671.db2.gz NBBBENUCEBTESN-GXSJLCMTSA-N 1 3 212.337 1.474 20 0 BDADHO CC(=O)CC(C)(C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246329052 987734680 /nfs/dbraw/zinc/73/46/80/987734680.db2.gz NBBBENUCEBTESN-GXSJLCMTSA-N 1 3 212.337 1.474 20 0 BDADHO c1ccc2c(c1)CC[C@H](CNC1CC[NH2+]CC1)N2 ZINC001246344687 987751465 /nfs/dbraw/zinc/75/14/65/987751465.db2.gz CKFJTVHBPSBVDB-CQSZACIVSA-N 1 3 245.370 1.755 20 0 BDADHO c1ccc2c(c1)CC[C@H](C[NH2+]C1CCNCC1)N2 ZINC001246344687 987751470 /nfs/dbraw/zinc/75/14/70/987751470.db2.gz CKFJTVHBPSBVDB-CQSZACIVSA-N 1 3 245.370 1.755 20 0 BDADHO CCCC[C@@H](CC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418077 987790224 /nfs/dbraw/zinc/79/02/24/987790224.db2.gz QNCIOUBOGMVJRR-NEPJUHHUSA-N 1 3 243.395 1.528 20 0 BDADHO CC[C@@H](CC(C)C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246416854 987790642 /nfs/dbraw/zinc/79/06/42/987790642.db2.gz NMOFXRDAWGQEQV-RYUDHWBXSA-N 1 3 243.395 1.384 20 0 BDADHO CCCCC[C@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415716 987792678 /nfs/dbraw/zinc/79/26/78/987792678.db2.gz JYLALINWXWTSLU-RYUDHWBXSA-N 1 3 243.395 1.528 20 0 BDADHO C1CC12CCC([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246445836 987802696 /nfs/dbraw/zinc/80/26/96/987802696.db2.gz PYWITJBRGHGYCS-LLVKDONJSA-N 1 3 206.333 1.661 20 0 BDADHO C1CC12CCC(N[C@@H]1CC13C[NH2+]C3)CC2 ZINC001246445836 987802700 /nfs/dbraw/zinc/80/27/00/987802700.db2.gz PYWITJBRGHGYCS-LLVKDONJSA-N 1 3 206.333 1.661 20 0 BDADHO CC1(C)CCC[C@H]([NH2+][C@H]2CC23CNC3)C1 ZINC001246448482 987805371 /nfs/dbraw/zinc/80/53/71/987805371.db2.gz YUIWRLJOLUWKOQ-QWRGUYRKSA-N 1 3 208.349 1.907 20 0 BDADHO CCC1CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246447241 987806527 /nfs/dbraw/zinc/80/65/27/987806527.db2.gz UVAJBOHGALNCBX-MCIGGMRASA-N 1 3 208.349 1.907 20 0 BDADHO CCC1CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246447241 987806532 /nfs/dbraw/zinc/80/65/32/987806532.db2.gz UVAJBOHGALNCBX-MCIGGMRASA-N 1 3 208.349 1.907 20 0 BDADHO COC(=O)CCCC[C@@H](C)[NH2+][C@@H]1CC12CNC2 ZINC001246446786 987806710 /nfs/dbraw/zinc/80/67/10/987806710.db2.gz UCFOXRBAJSGMLY-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)CCCC[C@@H](C)N[C@@H]1CC12C[NH2+]C2 ZINC001246446786 987806713 /nfs/dbraw/zinc/80/67/13/987806713.db2.gz UCFOXRBAJSGMLY-GHMZBOCLSA-N 1 3 240.347 1.060 20 0 BDADHO OCc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC001246446246 987806913 /nfs/dbraw/zinc/80/69/13/987806913.db2.gz LNAKAFHMAWTKBA-UHFFFAOYSA-N 1 3 234.343 1.063 20 0 BDADHO CC(C)(Cc1cccnc1)[NH2+]C1CCNCC1 ZINC001246447189 987807464 /nfs/dbraw/zinc/80/74/64/987807464.db2.gz PQZLAXZVFKWHAM-UHFFFAOYSA-N 1 3 233.359 1.744 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@]23CCCOC3)CC[NH2+]1 ZINC001246465286 987822908 /nfs/dbraw/zinc/82/29/08/987822908.db2.gz MEEGETHMIJQWQW-FDYHWXHSSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@]23CCCOC3)CCN1 ZINC001246465286 987822915 /nfs/dbraw/zinc/82/29/15/987822915.db2.gz MEEGETHMIJQWQW-FDYHWXHSSA-N 1 3 224.348 1.286 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473962 987831702 /nfs/dbraw/zinc/83/17/02/987831702.db2.gz LVNSLLKIEGINQL-FRRDWIJNSA-N 1 3 245.370 1.926 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CNc3ccccc32)CCN1 ZINC001246473962 987831705 /nfs/dbraw/zinc/83/17/05/987831705.db2.gz LVNSLLKIEGINQL-FRRDWIJNSA-N 1 3 245.370 1.926 20 0 BDADHO CCC1(CC[NH2+][C@@H]2CCN[C@@H](C)C2)OCCO1 ZINC001246516253 987866839 /nfs/dbraw/zinc/86/68/39/987866839.db2.gz QYFYLMBPNGEVGO-NWDGAFQWSA-N 1 3 242.363 1.260 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@@H+]1CCCNCC1 ZINC001246522748 987872873 /nfs/dbraw/zinc/87/28/73/987872873.db2.gz GJOZGMJPTPENEY-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[N@H+]1CCCNCC1 ZINC001246522748 987872874 /nfs/dbraw/zinc/87/28/74/987872874.db2.gz GJOZGMJPTPENEY-GFCCVEGCSA-N 1 3 242.363 1.404 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001246541077 987913478 /nfs/dbraw/zinc/91/34/78/987913478.db2.gz LMYQWBAKRUCXRZ-NEPJUHHUSA-N 1 3 212.337 1.369 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@H]2CCCOCC2)CC1 ZINC001246541077 987913486 /nfs/dbraw/zinc/91/34/86/987913486.db2.gz LMYQWBAKRUCXRZ-NEPJUHHUSA-N 1 3 212.337 1.369 20 0 BDADHO CSCC[C@@H](C)[N@@H+]1CCC[C@H](N)CC1 ZINC001246544881 987920327 /nfs/dbraw/zinc/92/03/27/987920327.db2.gz HUOAGUZGCKBSCZ-MNOVXSKESA-N 1 3 216.394 1.941 20 0 BDADHO CSCC[C@@H](C)[N@H+]1CCC[C@H](N)CC1 ZINC001246544881 987920339 /nfs/dbraw/zinc/92/03/39/987920339.db2.gz HUOAGUZGCKBSCZ-MNOVXSKESA-N 1 3 216.394 1.941 20 0 BDADHO C[C@@H]1CC([N@@H+]2CCC[C@@H](N)CC2)C[C@@H](C)O1 ZINC001246546473 987930875 /nfs/dbraw/zinc/93/08/75/987930875.db2.gz NAMDGSLLRGTCSN-IJLUTSLNSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@@H]1CC([N@H+]2CCC[C@@H](N)CC2)C[C@@H](C)O1 ZINC001246546473 987930884 /nfs/dbraw/zinc/93/08/84/987930884.db2.gz NAMDGSLLRGTCSN-IJLUTSLNSA-N 1 3 226.364 1.756 20 0 BDADHO CC(C)CC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557838 987973677 /nfs/dbraw/zinc/97/36/77/987973677.db2.gz IWPARWSYGYTLTE-IJLUTSLNSA-N 1 3 214.353 1.205 20 0 BDADHO CC(C)CC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246557838 987973685 /nfs/dbraw/zinc/97/36/85/987973685.db2.gz IWPARWSYGYTLTE-IJLUTSLNSA-N 1 3 214.353 1.205 20 0 BDADHO CC(C)CC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557838 987973694 /nfs/dbraw/zinc/97/36/94/987973694.db2.gz IWPARWSYGYTLTE-IJLUTSLNSA-N 1 3 214.353 1.205 20 0 BDADHO CCCCCC[C@@H](C)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246559351 987981454 /nfs/dbraw/zinc/98/14/54/987981454.db2.gz PDRAQOGWRRBKQL-JHJVBQTASA-N 1 3 228.380 1.739 20 0 BDADHO CCCCCC[C@@H](C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246559351 987981466 /nfs/dbraw/zinc/98/14/66/987981466.db2.gz PDRAQOGWRRBKQL-JHJVBQTASA-N 1 3 228.380 1.739 20 0 BDADHO CCCCCC[C@@H](C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246559351 987981477 /nfs/dbraw/zinc/98/14/77/987981477.db2.gz PDRAQOGWRRBKQL-JHJVBQTASA-N 1 3 228.380 1.739 20 0 BDADHO CCCC[C@H](CC)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246558728 987985104 /nfs/dbraw/zinc/98/51/04/987985104.db2.gz MXUIWWJOBTXMLQ-QJPTWQEYSA-N 1 3 214.353 1.349 20 0 BDADHO CC(C)CC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578058 988091898 /nfs/dbraw/zinc/09/18/98/988091898.db2.gz FKQJAIQZGRHFLS-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)CC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578058 988091916 /nfs/dbraw/zinc/09/19/16/988091916.db2.gz FKQJAIQZGRHFLS-SRVKXCTJSA-N 1 3 214.353 1.063 20 0 BDADHO CCCCC(CCCC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578303 988095240 /nfs/dbraw/zinc/09/52/40/988095240.db2.gz APUWKOWNOCRUBI-JSGCOSHPSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCC(CCCC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578303 988095252 /nfs/dbraw/zinc/09/52/52/988095252.db2.gz APUWKOWNOCRUBI-JSGCOSHPSA-N 1 3 242.407 1.987 20 0 BDADHO NC[C@H]1CCCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582929 988127367 /nfs/dbraw/zinc/12/73/67/988127367.db2.gz PEWYGZUSMMTXEM-FVCCEPFGSA-N 1 3 208.349 1.846 20 0 BDADHO NC[C@H]1CCCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001246582929 988127384 /nfs/dbraw/zinc/12/73/84/988127384.db2.gz PEWYGZUSMMTXEM-FVCCEPFGSA-N 1 3 208.349 1.846 20 0 BDADHO CN1CCC([N@@H+]2CCCC[C@](C)(CN)C2)CC1 ZINC001246585030 988135176 /nfs/dbraw/zinc/13/51/76/988135176.db2.gz NWEPZCGIHMTECR-CQSZACIVSA-N 1 3 239.407 1.532 20 0 BDADHO CN1CCC([N@H+]2CCCC[C@](C)(CN)C2)CC1 ZINC001246585030 988135183 /nfs/dbraw/zinc/13/51/83/988135183.db2.gz NWEPZCGIHMTECR-CQSZACIVSA-N 1 3 239.407 1.532 20 0 BDADHO CN1CCC([N@@H+]2CCCC[C@@](C)(CN)C2)CC1 ZINC001246585028 988138370 /nfs/dbraw/zinc/13/83/70/988138370.db2.gz NWEPZCGIHMTECR-AWEZNQCLSA-N 1 3 239.407 1.532 20 0 BDADHO CN1CCC([N@H+]2CCCC[C@@](C)(CN)C2)CC1 ZINC001246585028 988138381 /nfs/dbraw/zinc/13/83/81/988138381.db2.gz NWEPZCGIHMTECR-AWEZNQCLSA-N 1 3 239.407 1.532 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586173 988139804 /nfs/dbraw/zinc/13/98/04/988139804.db2.gz RGSBJDUSWQZTGG-XQHKEYJVSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586173 988139810 /nfs/dbraw/zinc/13/98/10/988139810.db2.gz RGSBJDUSWQZTGG-XQHKEYJVSA-N 1 3 240.391 1.453 20 0 BDADHO CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC001496213630 988291963 /nfs/dbraw/zinc/29/19/63/988291963.db2.gz QEDCCDOEHMEIQE-NWDGAFQWSA-N 1 3 243.395 1.173 20 0 BDADHO COC(C)(C)[C@H]1CCC[N@@H+]1C1CCNCC1 ZINC001246809273 988492200 /nfs/dbraw/zinc/49/22/00/988492200.db2.gz GOJVKGRLWMSUGW-GFCCVEGCSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)[C@H]1CCC[N@H+]1C1CCNCC1 ZINC001246809273 988492204 /nfs/dbraw/zinc/49/22/04/988492204.db2.gz GOJVKGRLWMSUGW-GFCCVEGCSA-N 1 3 226.364 1.628 20 0 BDADHO COC(=O)CC[C@@H]1CC[N@@H+](C2CCNCC2)C1 ZINC001246834161 988532000 /nfs/dbraw/zinc/53/20/00/988532000.db2.gz MQKCBDGNMUIOHC-LLVKDONJSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)CC[C@@H]1CC[N@H+](C2CCNCC2)C1 ZINC001246834161 988532006 /nfs/dbraw/zinc/53/20/06/988532006.db2.gz MQKCBDGNMUIOHC-LLVKDONJSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246838392 988536962 /nfs/dbraw/zinc/53/69/62/988536962.db2.gz HGGLFAHUGXJBTA-GRYCIOLGSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246838392 988536969 /nfs/dbraw/zinc/53/69/69/988536969.db2.gz HGGLFAHUGXJBTA-GRYCIOLGSA-N 1 3 240.347 1.154 20 0 BDADHO COC(=O)C[C@@H]1CCCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246838392 988536980 /nfs/dbraw/zinc/53/69/80/988536980.db2.gz HGGLFAHUGXJBTA-GRYCIOLGSA-N 1 3 240.347 1.154 20 0 BDADHO CC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246850914 988562150 /nfs/dbraw/zinc/56/21/50/988562150.db2.gz KCHXQFSJADVJCY-RTXFEEFZSA-N 1 3 224.348 1.428 20 0 BDADHO CC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC001246850914 988562159 /nfs/dbraw/zinc/56/21/59/988562159.db2.gz KCHXQFSJADVJCY-RTXFEEFZSA-N 1 3 224.348 1.428 20 0 BDADHO CC[C@@H]1C[C@H](N2CC[C@H]2NC)C[C@H](CC)[NH2+]1 ZINC001246899904 988676356 /nfs/dbraw/zinc/67/63/56/988676356.db2.gz QWZCISLUGVPGHQ-LOWDOPEQSA-N 1 3 225.380 1.547 20 0 BDADHO CC(C)[N@H+](CCCCCO)[C@H]1CCN[C@H](C)C1 ZINC001246925066 988754013 /nfs/dbraw/zinc/75/40/13/988754013.db2.gz KULQREPLQKLFCQ-KGLIPLIRSA-N 1 3 242.407 2.000 20 0 BDADHO CC(C)[N@@H+](CCCCCO)[C@H]1CCN[C@H](C)C1 ZINC001246925066 988754037 /nfs/dbraw/zinc/75/40/37/988754037.db2.gz KULQREPLQKLFCQ-KGLIPLIRSA-N 1 3 242.407 2.000 20 0 BDADHO CC[C@@H]1C[C@@H](N2CCNC3=CCCC[C@H]32)CC[NH2+]1 ZINC001246995814 988827545 /nfs/dbraw/zinc/82/75/45/988827545.db2.gz MXPLEOSUALTOKL-VNHYZAJKSA-N 1 3 249.402 1.859 20 0 BDADHO C[C@H]1C[C@@H](N2CCNC3=CCCC[C@@H]32)CC[NH2+]1 ZINC001246996529 988828344 /nfs/dbraw/zinc/82/83/44/988828344.db2.gz PBGBFFFZAKGMPQ-OBJOEFQTSA-N 1 3 235.375 1.469 20 0 BDADHO C[C@H](Cn1cccn1)NCC[C@@H](C)[NH+](C)C ZINC001119449512 989079124 /nfs/dbraw/zinc/07/91/24/989079124.db2.gz ACBYUAUFVINFAA-VXGBXAGGSA-N 1 3 224.352 1.201 20 0 BDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887679 989298576 /nfs/dbraw/zinc/29/85/76/989298576.db2.gz IOJIYAFHHDOWJN-JTQLQIEISA-N 1 3 248.330 1.095 20 0 BDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(=O)[nH]n1 ZINC001325887679 989298594 /nfs/dbraw/zinc/29/85/94/989298594.db2.gz IOJIYAFHHDOWJN-JTQLQIEISA-N 1 3 248.330 1.095 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\C1CC1 ZINC001119705795 989354005 /nfs/dbraw/zinc/35/40/05/989354005.db2.gz ZDQLTUUXPJQURK-WPORHVLPSA-N 1 3 220.360 1.882 20 0 BDADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC/C=C\C1CC1 ZINC001119705795 989354013 /nfs/dbraw/zinc/35/40/13/989354013.db2.gz ZDQLTUUXPJQURK-WPORHVLPSA-N 1 3 220.360 1.882 20 0 BDADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC/C=C\C1CC1 ZINC001119705795 989354019 /nfs/dbraw/zinc/35/40/19/989354019.db2.gz ZDQLTUUXPJQURK-WPORHVLPSA-N 1 3 220.360 1.882 20 0 BDADHO CCOC(=O)CC[C@@H](C)N(C)C[C@H](C)C[NH3+] ZINC001258484667 991454489 /nfs/dbraw/zinc/45/44/89/991454489.db2.gz WIBACVUIDQQWAH-GHMZBOCLSA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@H+](C)C[C@H](C)CN ZINC001258484667 991454492 /nfs/dbraw/zinc/45/44/92/991454492.db2.gz WIBACVUIDQQWAH-GHMZBOCLSA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@@H](C)[N@@H+](C)C[C@H](C)CN ZINC001258484667 991454498 /nfs/dbraw/zinc/45/44/98/991454498.db2.gz WIBACVUIDQQWAH-GHMZBOCLSA-N 1 3 230.352 1.245 20 0 BDADHO CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001317396081 991497520 /nfs/dbraw/zinc/49/75/20/991497520.db2.gz CCRTUDUPYSBZGK-NEPJUHHUSA-N 1 3 243.395 1.077 20 0 BDADHO CCCN1CCC([NH2+]C2(CC)COC2)CC1 ZINC001258766592 991725250 /nfs/dbraw/zinc/72/52/50/991725250.db2.gz ZVGRGFWVWCOACD-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CCC[NH+]1CCC(n2ccnc2[C@@H](C)N)CC1 ZINC001258767741 991731157 /nfs/dbraw/zinc/73/11/57/991731157.db2.gz KRWNXOAGOXEPBU-LLVKDONJSA-N 1 3 236.363 1.950 20 0 BDADHO CCC[NH+]1CCC(NCCc2ccncn2)CC1 ZINC001258771063 991732393 /nfs/dbraw/zinc/73/23/93/991732393.db2.gz UCQREAAMRVPUJJ-UHFFFAOYSA-N 1 3 248.374 1.483 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@H](O)C[C@H]2C)CC1 ZINC001258775404 991739516 /nfs/dbraw/zinc/73/95/16/991739516.db2.gz NPXLECKOQLGCBO-OCCSQVGLSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[NH+]1CCC(N(C)[C@@H]2CCCOC2)CC1 ZINC001258777682 991744289 /nfs/dbraw/zinc/74/42/89/991744289.db2.gz CYAYUTRQMLPCMR-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccccc1N1CCCC1 ZINC001261370904 992278694 /nfs/dbraw/zinc/27/86/94/992278694.db2.gz YRBJDJRRDOCXKQ-ZDUSSCGKSA-N 1 3 247.386 1.971 20 0 BDADHO CCOC1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001474756858 992520758 /nfs/dbraw/zinc/52/07/58/992520758.db2.gz MYCSBRKICAPAEC-YOMYCBHVSA-N 1 3 238.375 1.484 20 0 BDADHO O[C@H](CNCCC[NH+]1CCCCCC1)C1CC1 ZINC001262558151 992909084 /nfs/dbraw/zinc/90/90/84/992909084.db2.gz WQHOIIJUKZUKBI-CQSZACIVSA-N 1 3 240.391 1.613 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@H]1COCO1 ZINC001575130088 992993711 /nfs/dbraw/zinc/99/37/11/992993711.db2.gz FIBKUAMLQZKHDZ-MNOVXSKESA-N 1 3 230.352 1.103 20 0 BDADHO CC(C)(C)CC[C@@H]([NH3+])CNCCC1(CO)CC1 ZINC001575130253 992994584 /nfs/dbraw/zinc/99/45/84/992994584.db2.gz HUXDNEYTLHEOPG-GFCCVEGCSA-N 1 3 242.407 1.892 20 0 BDADHO CC(C)(O)C[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001575379802 993030734 /nfs/dbraw/zinc/03/07/34/993030734.db2.gz LRVJKGXWJAZUMB-DGCLKSJQSA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)(O)C[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001575379802 993030741 /nfs/dbraw/zinc/03/07/41/993030741.db2.gz LRVJKGXWJAZUMB-DGCLKSJQSA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)CC[C@H](CO)[NH2+]CC1(CN)CC1 ZINC001575553911 993070432 /nfs/dbraw/zinc/07/04/32/993070432.db2.gz IXIJPSHVYYGSRE-LLVKDONJSA-N 1 3 214.353 1.112 20 0 BDADHO CC(C)N1CCCC[C@H]1C[NH2+][C@H](CN)C1CC1 ZINC001575700276 993099007 /nfs/dbraw/zinc/09/90/07/993099007.db2.gz OVUAWZVIDCPJJN-UONOGXRCSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[C@H]1O ZINC001575940974 993133958 /nfs/dbraw/zinc/13/39/58/993133958.db2.gz GBDKGURQSMNWQY-DDHJBXDOSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@@H](CCCO)C[NH2+]CC1(CN)CCC1 ZINC001575952046 993136523 /nfs/dbraw/zinc/13/65/23/993136523.db2.gz BJWYLLIBEKQZCG-NSHDSACASA-N 1 3 214.353 1.114 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC001576381679 993293483 /nfs/dbraw/zinc/29/34/83/993293483.db2.gz DEFRPERUUVCDRM-QMNVILFCSA-N 1 3 236.359 1.125 20 0 BDADHO CCOCC1CC[NH+](C[C@@H](C)N)CC1 ZINC000380088298 993311991 /nfs/dbraw/zinc/31/19/91/993311991.db2.gz IEHWRFUJXDDXTH-SNVBAGLBSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC001576596851 993360510 /nfs/dbraw/zinc/36/05/10/993360510.db2.gz AVIRILROUCREFQ-FDYHWXHSSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H](C)C2)C[C@H]1CN ZINC001576596851 993360515 /nfs/dbraw/zinc/36/05/15/993360515.db2.gz AVIRILROUCREFQ-FDYHWXHSSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@H]1CC[C@H](CN2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648960 993384104 /nfs/dbraw/zinc/38/41/04/993384104.db2.gz CNTRSWCCAVRNNT-QNWHQSFQSA-N 1 3 224.348 1.095 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCO[C@@H]1C ZINC000381319470 993385303 /nfs/dbraw/zinc/38/53/03/993385303.db2.gz OFAPVHXJHGOURU-YNEHKIRRSA-N 1 3 228.380 1.874 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000381319470 993385305 /nfs/dbraw/zinc/38/53/05/993385305.db2.gz OFAPVHXJHGOURU-YNEHKIRRSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H]1CCC[C@@]1(O)C[NH2+]CC1(CN)CCC1 ZINC001576681102 993393856 /nfs/dbraw/zinc/39/38/56/993393856.db2.gz ZXHYBVSMLYLRLT-DGCLKSJQSA-N 1 3 226.364 1.256 20 0 BDADHO Cc1cc(CNCC2=CC[N@H+](C)CC2)n[nH]1 ZINC000381435151 993394519 /nfs/dbraw/zinc/39/45/19/993394519.db2.gz CMQYKTHFZZZYMY-UHFFFAOYSA-N 1 3 220.320 1.070 20 0 BDADHO Cc1cc(CNCC2=CC[N@@H+](C)CC2)n[nH]1 ZINC000381435151 993394524 /nfs/dbraw/zinc/39/45/24/993394524.db2.gz CMQYKTHFZZZYMY-UHFFFAOYSA-N 1 3 220.320 1.070 20 0 BDADHO C[C@@H]1CCN(Cc2cc[nH]c(=O)c2)C[C@@H]1C[NH3+] ZINC001576734692 993413223 /nfs/dbraw/zinc/41/32/23/993413223.db2.gz IMWREGDFBSVYRY-PWSUYJOCSA-N 1 3 235.331 1.204 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@H]1CCCN1C ZINC001576750089 993414359 /nfs/dbraw/zinc/41/43/59/993414359.db2.gz VGOAHIBOAQYHEQ-FDYHWXHSSA-N 1 3 225.380 1.057 20 0 BDADHO CC[C@@](C)(CNC[C@@H]([NH3+])CC(F)(F)F)OC ZINC001576949799 993464786 /nfs/dbraw/zinc/46/47/86/993464786.db2.gz QPUMIRZCUKQKHB-IUCAKERBSA-N 1 3 242.285 1.671 20 0 BDADHO CC[C@@H](C)C[C@H](CO)[NH2+]CC1(CN)CC1 ZINC001576972542 993477584 /nfs/dbraw/zinc/47/75/84/993477584.db2.gz WAVPFNSPJUDPLW-GHMZBOCLSA-N 1 3 214.353 1.112 20 0 BDADHO CC[C@H](C)C[C@H](CO)NC[C@@H]([NH3+])CC(F)F ZINC001576971907 993478594 /nfs/dbraw/zinc/47/85/94/993478594.db2.gz RVULCRRMSLTDKS-LPEHRKFASA-N 1 3 238.322 1.356 20 0 BDADHO CCC(O)(CC)CC[NH2+]CC1(CN)CCC1 ZINC001577179753 993538302 /nfs/dbraw/zinc/53/83/02/993538302.db2.gz YYIPRKDPNXPVDS-UHFFFAOYSA-N 1 3 228.380 1.646 20 0 BDADHO CC[C@@]1(CO)CCCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC001577221176 993550018 /nfs/dbraw/zinc/55/00/18/993550018.db2.gz YJWNPDNRQOXRKW-HZSPNIEDSA-N 1 3 240.391 1.326 20 0 BDADHO CC[C@@H]1CC[N@H+](C[C@](C)(O)CNC)[C@H]1C ZINC001577263656 993569778 /nfs/dbraw/zinc/56/97/78/993569778.db2.gz UHOPAEKCMRLELB-QJPTWQEYSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1CC[N@@H+](C[C@](C)(O)CNC)[C@H]1C ZINC001577263656 993569801 /nfs/dbraw/zinc/56/98/01/993569801.db2.gz UHOPAEKCMRLELB-QJPTWQEYSA-N 1 3 214.353 1.077 20 0 BDADHO CC[C@@H]1CN(Cc2cc[nH]c(=O)c2)CC[C@@H]1[NH3+] ZINC001577279778 993576885 /nfs/dbraw/zinc/57/68/85/993576885.db2.gz PYLQONCPZVKXFC-NEPJUHHUSA-N 1 3 235.331 1.346 20 0 BDADHO CCN1CC[C@@H]([NH2+][C@H]2CCCN(C)CC2)C1 ZINC000389556275 993748688 /nfs/dbraw/zinc/74/86/88/993748688.db2.gz RQDSKVAODQWHBR-QWHCGFSZSA-N 1 3 225.380 1.155 20 0 BDADHO CC[C@H]1CCCN1C[C@H](O)C[NH+](CC)CC ZINC000390599915 993800815 /nfs/dbraw/zinc/80/08/15/993800815.db2.gz VQKCXHLYTQBIQH-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]C(C)C)N(C)C ZINC001266156248 994049426 /nfs/dbraw/zinc/04/94/26/994049426.db2.gz XSAASABKMQFYBN-NWDGAFQWSA-N 1 3 243.395 1.219 20 0 BDADHO CC[C@](C)(O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161566017 538917184 /nfs/dbraw/zinc/91/71/84/538917184.db2.gz SDAZTQWDWYZSBY-AWEZNQCLSA-N 1 3 249.358 1.365 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000563201399 398146921 /nfs/dbraw/zinc/14/69/21/398146921.db2.gz UDIVDUDBZVDEGY-GRYCIOLGSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000563201399 398146926 /nfs/dbraw/zinc/14/69/26/398146926.db2.gz UDIVDUDBZVDEGY-GRYCIOLGSA-N 1 3 241.379 1.103 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCCC[C@@H]1CCO ZINC000161765614 349503407 /nfs/dbraw/zinc/50/34/07/349503407.db2.gz CPJFBVIWRCCDNV-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCCC[C@@H]1CCO ZINC000161765614 349503410 /nfs/dbraw/zinc/50/34/10/349503410.db2.gz CPJFBVIWRCCDNV-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO N[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339407051 398156727 /nfs/dbraw/zinc/15/67/27/398156727.db2.gz KHCAEHWFLNHIGG-CQSZACIVSA-N 1 3 246.354 1.587 20 0 BDADHO N[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339407051 398156730 /nfs/dbraw/zinc/15/67/30/398156730.db2.gz KHCAEHWFLNHIGG-CQSZACIVSA-N 1 3 246.354 1.587 20 0 BDADHO COc1ccccc1CCNC[C@]1(C)CC[NH2+]C1 ZINC000415088084 398157212 /nfs/dbraw/zinc/15/72/12/398157212.db2.gz UQQYVOMSMDELQQ-HNNXBMFYSA-N 1 3 248.370 1.827 20 0 BDADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915689 398174562 /nfs/dbraw/zinc/17/45/62/398174562.db2.gz OFTGJVNKGUCUIH-KOLCDFICSA-N 1 3 248.317 1.219 20 0 BDADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000379915689 398174567 /nfs/dbraw/zinc/17/45/67/398174567.db2.gz OFTGJVNKGUCUIH-KOLCDFICSA-N 1 3 248.317 1.219 20 0 BDADHO CC(C)CC[C@@](C)(O)CN[C@H](C)C1C[NH2+]C1 ZINC000422977043 398161101 /nfs/dbraw/zinc/16/11/01/398161101.db2.gz JHJBSSPRLJYKCN-DGCLKSJQSA-N 1 3 228.380 1.371 20 0 BDADHO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)C1CNC1 ZINC000422977043 398161103 /nfs/dbraw/zinc/16/11/03/398161103.db2.gz JHJBSSPRLJYKCN-DGCLKSJQSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccccc1O ZINC000422976876 398161396 /nfs/dbraw/zinc/16/13/96/398161396.db2.gz VTBVDZKFBHYOLJ-MNOVXSKESA-N 1 3 222.332 1.650 20 0 BDADHO CCc1nnc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])[n-]1 ZINC000423021513 398161899 /nfs/dbraw/zinc/16/18/99/398161899.db2.gz FNDSFGJYUILOJZ-VHSXEESVSA-N 1 3 239.367 1.535 20 0 BDADHO CCc1nnc([C@@H](C)N[C@@H](C)CCCC[NH3+])[nH]1 ZINC000423021513 398161900 /nfs/dbraw/zinc/16/19/00/398161900.db2.gz FNDSFGJYUILOJZ-VHSXEESVSA-N 1 3 239.367 1.535 20 0 BDADHO Fc1ccc(CC[NH2+]C2CCNCC2)cc1F ZINC000258765857 349514112 /nfs/dbraw/zinc/51/41/12/349514112.db2.gz AUHUCIZJRPVXSP-UHFFFAOYSA-N 1 3 240.297 1.849 20 0 BDADHO Fc1ccc(CCNC2CC[NH2+]CC2)cc1F ZINC000258765857 349514114 /nfs/dbraw/zinc/51/41/14/349514114.db2.gz AUHUCIZJRPVXSP-UHFFFAOYSA-N 1 3 240.297 1.849 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761280 398165052 /nfs/dbraw/zinc/16/50/52/398165052.db2.gz DSOJHEDKXKBNDA-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761280 398165054 /nfs/dbraw/zinc/16/50/54/398165054.db2.gz DSOJHEDKXKBNDA-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000379761280 398165055 /nfs/dbraw/zinc/16/50/55/398165055.db2.gz DSOJHEDKXKBNDA-MJBXVCDLSA-N 1 3 240.391 1.874 20 0 BDADHO Cc1cc(N[C@@H]2CCCN(C)[C@@H]2C)cc[nH+]1 ZINC000336745730 398186241 /nfs/dbraw/zinc/18/62/41/398186241.db2.gz QWEVWPKSGOUKLH-DGCLKSJQSA-N 1 3 219.332 1.707 20 0 BDADHO C[C@H](NC1CCC(CO)CC1)[C@H]1CCCC[NH2+]1 ZINC000386007374 398194353 /nfs/dbraw/zinc/19/43/53/398194353.db2.gz LXYUMJQNINQUKO-GFJIZPEISA-N 1 3 240.391 1.658 20 0 BDADHO CCC[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)OC ZINC000385994609 398194611 /nfs/dbraw/zinc/19/46/11/398194611.db2.gz FLRNHPDQNYKINU-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)OC ZINC000385994609 398194614 /nfs/dbraw/zinc/19/46/14/398194614.db2.gz FLRNHPDQNYKINU-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cc(N2CC[C@@H]3CCN(C)C[C@H]32)cc[nH+]1 ZINC000274814442 178118589 /nfs/dbraw/zinc/11/85/89/178118589.db2.gz YSVSNVOVMJPPAQ-GXTWGEPZSA-N 1 3 231.343 1.920 20 0 BDADHO c1c[nH]c(C2CCN(C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000649412213 398214354 /nfs/dbraw/zinc/21/43/54/398214354.db2.gz WVNGBMJOUGGOIB-LLVKDONJSA-N 1 3 234.347 1.199 20 0 BDADHO C[C@](C[NH3+])(NCCc1cccnc1)C1CC1 ZINC000430559097 398228276 /nfs/dbraw/zinc/22/82/76/398228276.db2.gz RUHKCDNLMHXUJT-CYBMUJFWSA-N 1 3 219.332 1.341 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)CN(C)C ZINC000378758788 346826084 /nfs/dbraw/zinc/82/60/84/346826084.db2.gz ZQEFCAFWKBNHEK-XQHKEYJVSA-N 1 3 210.365 1.962 20 0 BDADHO CC[C@H](C)C[NH2+]CCCN1CCCN(C)CC1 ZINC000180233817 538957682 /nfs/dbraw/zinc/95/76/82/538957682.db2.gz XZLVDYMLNCJZCK-AWEZNQCLSA-N 1 3 241.423 1.650 20 0 BDADHO CCC(CC)[NH2+]CC1(O)CCN(C)CC1 ZINC000309216176 168387171 /nfs/dbraw/zinc/38/71/71/168387171.db2.gz ULKDCYCIIHVXJB-UHFFFAOYSA-N 1 3 214.353 1.221 20 0 BDADHO O[C@H]1CCN(CCNc2[nH+]ccc3[nH]ccc32)C1 ZINC000624775322 342829114 /nfs/dbraw/zinc/82/91/14/342829114.db2.gz DVDGHOHNODCNHM-JTQLQIEISA-N 1 3 246.314 1.041 20 0 BDADHO C[NH+](C)Cc1cccc(CNC2CSC2)c1 ZINC000381484252 539002281 /nfs/dbraw/zinc/00/22/81/539002281.db2.gz UOOHNFUBRGNYQW-UHFFFAOYSA-N 1 3 236.384 1.953 20 0 BDADHO CCN1CCC([NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000335637598 136242967 /nfs/dbraw/zinc/24/29/67/136242967.db2.gz PYUQSIGFJLBHCS-DGCLKSJQSA-N 1 3 225.380 1.058 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)C1 ZINC000389206763 398306005 /nfs/dbraw/zinc/30/60/05/398306005.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000389206763 398306008 /nfs/dbraw/zinc/30/60/08/398306008.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 1 3 239.407 1.399 20 0 BDADHO CCN1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000389206763 398306010 /nfs/dbraw/zinc/30/60/10/398306010.db2.gz ZWWHCZLTSGVBCP-RFQIPJPRSA-N 1 3 239.407 1.399 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)[C@@H]1CCSC1 ZINC000037175241 342924530 /nfs/dbraw/zinc/92/45/30/342924530.db2.gz CAXPRGPKDNJDJH-WDEREUQCSA-N 1 3 216.394 1.797 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)[C@@H]1CCSC1 ZINC000037175241 342924532 /nfs/dbraw/zinc/92/45/32/342924532.db2.gz CAXPRGPKDNJDJH-WDEREUQCSA-N 1 3 216.394 1.797 20 0 BDADHO CC[NH+](CC)CCCN[C@@H]1CCSC1 ZINC000019942807 342963888 /nfs/dbraw/zinc/96/38/88/342963888.db2.gz ZORJXUJOUCBXRN-LLVKDONJSA-N 1 3 216.394 1.813 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCSC1 ZINC000019942807 342963889 /nfs/dbraw/zinc/96/38/89/342963889.db2.gz ZORJXUJOUCBXRN-LLVKDONJSA-N 1 3 216.394 1.813 20 0 BDADHO CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)OC ZINC000308588450 259340193 /nfs/dbraw/zinc/34/01/93/259340193.db2.gz UDPNAGMVFQRCMR-GARJFASQSA-N 1 3 200.326 1.271 20 0 BDADHO CCCCOCC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000386545898 343072317 /nfs/dbraw/zinc/07/23/17/343072317.db2.gz FSOHFVCQFWIZAK-OLZOCXBDSA-N 1 3 228.380 1.923 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOC(F)(F)F)C1 ZINC000398248611 343100099 /nfs/dbraw/zinc/10/00/99/343100099.db2.gz KCSUACYPUOLXSB-SFYZADRCSA-N 1 3 226.242 1.382 20 0 BDADHO C[C@H]([NH3+])CCC(=O)Nc1cccc2c1CCNC2 ZINC000576927360 365722445 /nfs/dbraw/zinc/72/24/45/365722445.db2.gz UQSWFROTZJYQFT-JTQLQIEISA-N 1 3 247.342 1.398 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000393673903 259354828 /nfs/dbraw/zinc/35/48/28/259354828.db2.gz SCJOQYHKMRJNOF-NEPJUHHUSA-N 1 3 242.407 1.891 20 0 BDADHO COCCOCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000158951594 343201424 /nfs/dbraw/zinc/20/14/24/343201424.db2.gz SWRUWSZIODJTJA-QWHCGFSZSA-N 1 3 244.379 1.289 20 0 BDADHO COCCOCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000158951743 343201535 /nfs/dbraw/zinc/20/15/35/343201535.db2.gz SWRUWSZIODJTJA-STQMWFEESA-N 1 3 244.379 1.289 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@H](C)COC)C1 ZINC000163535720 343206946 /nfs/dbraw/zinc/20/69/46/343206946.db2.gz VSUAQYXDVSQKOS-NWDGAFQWSA-N 1 3 214.353 1.200 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000134103276 343186905 /nfs/dbraw/zinc/18/69/05/343186905.db2.gz YATOEEPIQUNSSZ-WDEREUQCSA-N 1 3 249.358 1.670 20 0 BDADHO Cc1ccncc1CN1CCC(CC[NH3+])CC1 ZINC000135500452 343193465 /nfs/dbraw/zinc/19/34/65/343193465.db2.gz DKRVPZABHHSGAK-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO COC[C@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000308572453 488209083 /nfs/dbraw/zinc/20/90/83/488209083.db2.gz CKBPUJUSXPSNHZ-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000308572453 488209086 /nfs/dbraw/zinc/20/90/86/488209086.db2.gz CKBPUJUSXPSNHZ-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@H](C)NCC[C@H]1CCC[N@H+]1C ZINC000308572453 488209088 /nfs/dbraw/zinc/20/90/88/488209088.db2.gz CKBPUJUSXPSNHZ-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@](C)(C[NH3+])C2CC2)O1 ZINC000634687777 343241952 /nfs/dbraw/zinc/24/19/52/343241952.db2.gz YZFCCBWUDDOQJU-YUSALJHKSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOCC(F)(F)F ZINC000084222089 136290791 /nfs/dbraw/zinc/29/07/91/136290791.db2.gz LUSSOFCNCGCDJO-BDAKNGLRSA-N 1 3 240.269 1.282 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000084222089 136290792 /nfs/dbraw/zinc/29/07/92/136290792.db2.gz LUSSOFCNCGCDJO-BDAKNGLRSA-N 1 3 240.269 1.282 20 0 BDADHO COC[C@@H](C)[NH2+]CC[C@@H]1CCCN1C ZINC000308572451 488209114 /nfs/dbraw/zinc/20/91/14/488209114.db2.gz CKBPUJUSXPSNHZ-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@@H](C)NCC[C@@H]1CCC[N@@H+]1C ZINC000308572451 488209118 /nfs/dbraw/zinc/20/91/18/488209118.db2.gz CKBPUJUSXPSNHZ-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@@H](C)NCC[C@@H]1CCC[N@H+]1C ZINC000308572451 488209120 /nfs/dbraw/zinc/20/91/20/488209120.db2.gz CKBPUJUSXPSNHZ-MNOVXSKESA-N 1 3 200.326 1.095 20 0 BDADHO CCN(CC)CCC[NH2+]C1CCOCC1 ZINC000036304031 343314801 /nfs/dbraw/zinc/31/48/01/343314801.db2.gz KDSQYANZADVJFO-UHFFFAOYSA-N 1 3 214.353 1.487 20 0 BDADHO C(CN[C@@H]1CCOC1)C[NH+]1CCCCC1 ZINC000070964583 343343555 /nfs/dbraw/zinc/34/35/55/343343555.db2.gz PYXOCFSRESZRBC-GFCCVEGCSA-N 1 3 212.337 1.241 20 0 BDADHO CN(C)CCC[NH+](CCCN(C)C)CC1CC1 ZINC000348934026 136309320 /nfs/dbraw/zinc/30/93/20/136309320.db2.gz LFQOHIDVEAZKGD-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO C[C@@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@H]1CCOC1 ZINC000166320075 136344841 /nfs/dbraw/zinc/34/48/41/136344841.db2.gz RRQMOPBGBKSHET-RISCZKNCSA-N 1 3 246.354 1.804 20 0 BDADHO CC(C)OCCN1CCCC[C@@H]1CC[NH3+] ZINC000082594541 343450446 /nfs/dbraw/zinc/45/04/46/343450446.db2.gz RZYGWWDZCNUSJS-GFCCVEGCSA-N 1 3 214.353 1.615 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247983242 136373423 /nfs/dbraw/zinc/37/34/23/136373423.db2.gz IPELLCJSXGBUQM-XQQFMLRXSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000247983242 136373424 /nfs/dbraw/zinc/37/34/24/136373424.db2.gz IPELLCJSXGBUQM-XQQFMLRXSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247983242 136373425 /nfs/dbraw/zinc/37/34/25/136373425.db2.gz IPELLCJSXGBUQM-XQQFMLRXSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247983242 136373426 /nfs/dbraw/zinc/37/34/26/136373426.db2.gz IPELLCJSXGBUQM-XQQFMLRXSA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247983237 136373586 /nfs/dbraw/zinc/37/35/86/136373586.db2.gz IPELLCJSXGBUQM-AVGNSLFASA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000247983237 136373587 /nfs/dbraw/zinc/37/35/87/136373587.db2.gz IPELLCJSXGBUQM-AVGNSLFASA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247983237 136373588 /nfs/dbraw/zinc/37/35/88/136373588.db2.gz IPELLCJSXGBUQM-AVGNSLFASA-N 1 3 226.364 1.437 20 0 BDADHO COC[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247983237 136373589 /nfs/dbraw/zinc/37/35/89/136373589.db2.gz IPELLCJSXGBUQM-AVGNSLFASA-N 1 3 226.364 1.437 20 0 BDADHO CSC[C@H]1CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000261542348 136374509 /nfs/dbraw/zinc/37/45/09/136374509.db2.gz GSWVJVZDUFGBSN-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO COCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494156 536894354 /nfs/dbraw/zinc/89/43/54/536894354.db2.gz VNEKBSMVTMNSOX-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO CCN1CC[C@@H]([NH2+]Cc2ccc[nH]c2=O)[C@@H](C)C1 ZINC000624257620 343620066 /nfs/dbraw/zinc/62/00/66/343620066.db2.gz KMIKIVDLTZEVCS-WCQYABFASA-N 1 3 249.358 1.607 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2C[C@@H]2C)C1 ZINC000309055980 346957901 /nfs/dbraw/zinc/95/79/01/346957901.db2.gz UKDGXTOYUHEIKS-XQQFMLRXSA-N 1 3 210.365 1.964 20 0 BDADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000127733170 343745841 /nfs/dbraw/zinc/74/58/41/343745841.db2.gz IPFJNZMBHLSTHB-KBPBESRZSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@H]([NH3+])[C@H](C)C2)O1 ZINC000149782916 537809465 /nfs/dbraw/zinc/80/94/65/537809465.db2.gz SJLGAHGNYGNTEG-KKOKHZNYSA-N 1 3 212.337 1.223 20 0 BDADHO CN(C[C@H]1CCCCO1)CC(C)(C)C[NH3+] ZINC000051251041 347005910 /nfs/dbraw/zinc/00/59/10/347005910.db2.gz AZBNJMXNZYUBMW-LLVKDONJSA-N 1 3 214.353 1.472 20 0 BDADHO CC(C)CSCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000393787602 343928361 /nfs/dbraw/zinc/92/83/61/343928361.db2.gz WIKATAGIEKTILY-CHWSQXEVSA-N 1 3 242.432 1.917 20 0 BDADHO C([C@H]1CCCOC1)[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000221388789 259373054 /nfs/dbraw/zinc/37/30/54/259373054.db2.gz QWILHNZOHWUPLU-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO C([C@H]1CCCOC1)[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000221388789 259373056 /nfs/dbraw/zinc/37/30/56/259373056.db2.gz QWILHNZOHWUPLU-FRRDWIJNSA-N 1 3 224.348 1.097 20 0 BDADHO COC[C@@H](C)C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733850 344114630 /nfs/dbraw/zinc/11/46/30/344114630.db2.gz PQSTZRBYNRBAHD-TUAOUCFPSA-N 1 3 212.337 1.001 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000130335491 344132083 /nfs/dbraw/zinc/13/20/83/344132083.db2.gz ZRTDNMVXVYCKCF-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000130335491 344132084 /nfs/dbraw/zinc/13/20/84/344132084.db2.gz ZRTDNMVXVYCKCF-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CSCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000084216899 344255131 /nfs/dbraw/zinc/25/51/31/344255131.db2.gz OVBLCCPUNLJXQZ-VHSXEESVSA-N 1 3 202.367 1.457 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215679 344312667 /nfs/dbraw/zinc/31/26/67/344312667.db2.gz QPHJBRLOVFUCGT-STQMWFEESA-N 1 3 236.363 1.523 20 0 BDADHO COC(=O)CCCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000600699730 344359712 /nfs/dbraw/zinc/35/97/12/344359712.db2.gz CQNIZDPWNRHACN-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO C(NC[C@@H]1CCCCO1)[C@@H]1CCC[NH2+]C1 ZINC000042825206 344468762 /nfs/dbraw/zinc/46/87/62/344468762.db2.gz WINJCAJZPZFHCO-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO C([NH2+]C[C@@H]1CCCCO1)[C@@H]1CCCNC1 ZINC000042825206 344468764 /nfs/dbraw/zinc/46/87/64/344468764.db2.gz WINJCAJZPZFHCO-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO CCC[C@](C)(N)C(=O)NCCC[NH+](CC)CC ZINC000037621298 344553265 /nfs/dbraw/zinc/55/32/65/344553265.db2.gz HGAYAKBRTNPRGR-ZDUSSCGKSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]Cc1cccnc1 ZINC000049551899 344652710 /nfs/dbraw/zinc/65/27/10/344652710.db2.gz HXVLTVMUGVUGHL-NSHDSACASA-N 1 3 207.321 1.511 20 0 BDADHO C[NH+]1CCC(NC/C=C/c2ccncc2)CC1 ZINC000486935612 530050499 /nfs/dbraw/zinc/05/04/99/530050499.db2.gz JNVPJUJAODJTGH-NSCUHMNNSA-N 1 3 231.343 1.779 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075834815 344792653 /nfs/dbraw/zinc/79/26/53/344792653.db2.gz PLGBROANGWLKFG-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000075834815 344792656 /nfs/dbraw/zinc/79/26/56/344792656.db2.gz PLGBROANGWLKFG-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CSC)C1 ZINC000562984716 323078068 /nfs/dbraw/zinc/07/80/68/323078068.db2.gz FMFLQCHANWEYTF-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CSC)C1 ZINC000562984716 323078069 /nfs/dbraw/zinc/07/80/69/323078069.db2.gz FMFLQCHANWEYTF-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CSC)C1 ZINC000562984716 323078070 /nfs/dbraw/zinc/07/80/70/323078070.db2.gz FMFLQCHANWEYTF-VXGBXAGGSA-N 1 3 246.420 1.032 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339069037 537872997 /nfs/dbraw/zinc/87/29/97/537872997.db2.gz UJZVDLDKDHHOBS-FQUUOJAGSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339069037 537873002 /nfs/dbraw/zinc/87/30/02/537873002.db2.gz UJZVDLDKDHHOBS-FQUUOJAGSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000339069037 537873016 /nfs/dbraw/zinc/87/30/16/537873016.db2.gz UJZVDLDKDHHOBS-FQUUOJAGSA-N 1 3 240.391 1.610 20 0 BDADHO c1ccc(COCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000390224141 259382592 /nfs/dbraw/zinc/38/25/92/259382592.db2.gz AYEOAQMTRNQNMK-OAHLLOKOSA-N 1 3 248.370 1.935 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCN(C)C[C@@H]1C)C(C)C ZINC000156600831 345189890 /nfs/dbraw/zinc/18/98/90/345189890.db2.gz AOGZLUFJDPEYAS-UONOGXRCSA-N 1 3 241.423 1.647 20 0 BDADHO CCC(CC)(CCO)C[NH2+]CC12CC(C1)CN2 ZINC000634995316 345184282 /nfs/dbraw/zinc/18/42/82/345184282.db2.gz AMODCDACYXYYNJ-UHFFFAOYSA-N 1 3 240.391 1.517 20 0 BDADHO CC(C)[C@@H](C[NH3+])CNC[C@@H](N)c1ccccc1 ZINC000634995247 345184575 /nfs/dbraw/zinc/18/45/75/345184575.db2.gz YXAOTBQCUDPQLQ-UONOGXRCSA-N 1 3 235.375 1.507 20 0 BDADHO C([NH2+][C@H]1CCC[C@@H]2OCC[C@H]21)C12CC(C1)CN2 ZINC000634995515 345185367 /nfs/dbraw/zinc/18/53/67/345185367.db2.gz HDHBMELYFBHVOD-XCONPDAUSA-N 1 3 236.359 1.286 20 0 BDADHO C(N[C@H]1CCC[C@@H]2OCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634995515 345185370 /nfs/dbraw/zinc/18/53/70/345185370.db2.gz HDHBMELYFBHVOD-XCONPDAUSA-N 1 3 236.359 1.286 20 0 BDADHO C([NH2+][C@@H]1CCCC12CC2)C12CC(C1)CN2 ZINC000634997021 345193831 /nfs/dbraw/zinc/19/38/31/345193831.db2.gz BEGVOTUVVKPQAB-QWKFWESOSA-N 1 3 206.333 1.661 20 0 BDADHO C[C@H](C[NH2+]CC12CC(C1)CN2)c1ccncc1 ZINC000634997559 345196435 /nfs/dbraw/zinc/19/64/35/345196435.db2.gz NXCGCFTZUTYDCG-LKSINWNRSA-N 1 3 231.343 1.527 20 0 BDADHO CC(C)(F)CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000635003803 345206938 /nfs/dbraw/zinc/20/69/38/345206938.db2.gz LTDHCCAOZIXOKF-VHSXEESVSA-N 1 3 202.317 1.842 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000635004900 345208576 /nfs/dbraw/zinc/20/85/76/345208576.db2.gz RDNBXRZWXCQHGL-WUHRBBMRSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000393598569 345427869 /nfs/dbraw/zinc/42/78/69/345427869.db2.gz MCPIGECDUNHEIU-QWRGUYRKSA-N 1 3 228.380 1.501 20 0 BDADHO Cc1cccc(C)c1C[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313348752 179034643 /nfs/dbraw/zinc/03/46/43/179034643.db2.gz IJGLQQOUZKAKJP-AWEZNQCLSA-N 1 3 248.370 1.853 20 0 BDADHO Cc1cccc(C)c1C[N@H+]1CCCO[C@@H](CN)C1 ZINC000313348752 179034645 /nfs/dbraw/zinc/03/46/45/179034645.db2.gz IJGLQQOUZKAKJP-AWEZNQCLSA-N 1 3 248.370 1.853 20 0 BDADHO COC1(C[NH2+][C@H]2CCNC[C@@H]2C)CCCC1 ZINC000381604583 346416738 /nfs/dbraw/zinc/41/67/38/346416738.db2.gz PMZFXKROUKRXCD-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO COC1(CN[C@H]2CC[NH2+]C[C@@H]2C)CCCC1 ZINC000381604583 346416740 /nfs/dbraw/zinc/41/67/40/346416740.db2.gz PMZFXKROUKRXCD-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000300365525 346432778 /nfs/dbraw/zinc/43/27/78/346432778.db2.gz RUQAQXVEMZLEPB-FIQHERPVSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2cncn2C)C1 ZINC000641797258 362743162 /nfs/dbraw/zinc/74/31/62/362743162.db2.gz ZMKOBKFDTWVPOF-VXGBXAGGSA-N 1 3 236.363 1.022 20 0 BDADHO Cn1cncc1CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000641798965 362746005 /nfs/dbraw/zinc/74/60/05/362746005.db2.gz RTWNPMNIGWMLHC-FPMFFAJLSA-N 1 3 248.374 1.022 20 0 BDADHO Cn1cncc1CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000641798967 362747475 /nfs/dbraw/zinc/74/74/75/362747475.db2.gz RTWNPMNIGWMLHC-UBHSHLNASA-N 1 3 248.374 1.022 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000641800727 362752918 /nfs/dbraw/zinc/75/29/18/362752918.db2.gz DRYMJTKGJHAKMM-HRDYMLBCSA-N 1 3 234.290 1.126 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000641800727 362752926 /nfs/dbraw/zinc/75/29/26/362752926.db2.gz DRYMJTKGJHAKMM-HRDYMLBCSA-N 1 3 234.290 1.126 20 0 BDADHO CN(CCN[C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801844 362758660 /nfs/dbraw/zinc/75/86/60/362758660.db2.gz FRFFKYJQMZHHTD-ZIAGYGMSSA-N 1 3 247.386 1.838 20 0 BDADHO CN(CC[NH2+][C@@H]1C[C@@H](N)C1(C)C)c1ccccc1 ZINC000641801844 362758666 /nfs/dbraw/zinc/75/86/66/362758666.db2.gz FRFFKYJQMZHHTD-ZIAGYGMSSA-N 1 3 247.386 1.838 20 0 BDADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)COC)C1 ZINC000187387661 346572636 /nfs/dbraw/zinc/57/26/36/346572636.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 1 3 242.407 1.933 20 0 BDADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)COC)C1 ZINC000187387661 346572641 /nfs/dbraw/zinc/57/26/41/346572641.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187387661 346572650 /nfs/dbraw/zinc/57/26/50/346572650.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187387661 346572651 /nfs/dbraw/zinc/57/26/51/346572651.db2.gz OZZAPYVEVAEXSY-KGLIPLIRSA-N 1 3 242.407 1.933 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)COC)C1 ZINC000187705699 346599996 /nfs/dbraw/zinc/59/99/96/346599996.db2.gz USMVYLLRWOPXOT-OLZOCXBDSA-N 1 3 228.380 1.590 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191575 365870565 /nfs/dbraw/zinc/87/05/65/365870565.db2.gz PHRLLIJWKXSROF-TZMCWYRMSA-N 1 3 233.359 1.874 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCCc2ccccn2)C1 ZINC000577191575 365870571 /nfs/dbraw/zinc/87/05/71/365870571.db2.gz PHRLLIJWKXSROF-TZMCWYRMSA-N 1 3 233.359 1.874 20 0 BDADHO CC[C@H](NC[C@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581385 347678816 /nfs/dbraw/zinc/67/88/16/347678816.db2.gz SZDJRNLPUGLBCE-UWVGGRQHSA-N 1 3 228.336 1.045 20 0 BDADHO CCOC(=O)CCCCN1CCC(C)([NH3+])CC1 ZINC000592485205 347786505 /nfs/dbraw/zinc/78/65/05/347786505.db2.gz RHUSYJDOUFZXBT-UHFFFAOYSA-N 1 3 242.363 1.533 20 0 BDADHO CN(CCC1CC[NH2+]CC1)Cc1cccnc1 ZINC000038076094 348048737 /nfs/dbraw/zinc/04/87/37/348048737.db2.gz TXOPMWSGHSPGMA-UHFFFAOYSA-N 1 3 233.359 1.903 20 0 BDADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000397485090 362888240 /nfs/dbraw/zinc/88/82/40/362888240.db2.gz UAKKSWCDRUVUSO-RFGFWPKPSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCO2)C[C@@H]1CN ZINC000397485090 362888241 /nfs/dbraw/zinc/88/82/41/362888241.db2.gz UAKKSWCDRUVUSO-RFGFWPKPSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1CN ZINC000397485090 362888242 /nfs/dbraw/zinc/88/82/42/362888242.db2.gz UAKKSWCDRUVUSO-RFGFWPKPSA-N 1 3 240.391 1.861 20 0 BDADHO Cc1nc(C)c(CNCC2CC[NH+](C)CC2)o1 ZINC000311708548 349984161 /nfs/dbraw/zinc/98/41/61/349984161.db2.gz USZMKJKSOQGBKC-UHFFFAOYSA-N 1 3 237.347 1.723 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1C[C@H]1C1CC1 ZINC000623494315 362917190 /nfs/dbraw/zinc/91/71/90/362917190.db2.gz LYVGPHXBHOZATR-UBHSHLNASA-N 1 3 240.391 1.589 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000395158492 323189479 /nfs/dbraw/zinc/18/94/79/323189479.db2.gz MRQMNAQRAACVMK-YVECIDJPSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000395158492 323189480 /nfs/dbraw/zinc/18/94/80/323189480.db2.gz MRQMNAQRAACVMK-YVECIDJPSA-N 1 3 226.364 1.484 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000388379700 349997975 /nfs/dbraw/zinc/99/79/75/349997975.db2.gz KKXHUTYZBHQHRC-NWDGAFQWSA-N 1 3 214.353 1.663 20 0 BDADHO CCC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000382189056 348964157 /nfs/dbraw/zinc/96/41/57/348964157.db2.gz BIMBWKNLQDOGOD-GRYCIOLGSA-N 1 3 214.353 1.661 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])C2CC2)C1(C)C ZINC000399324354 323203848 /nfs/dbraw/zinc/20/38/48/323203848.db2.gz KGCOAZJIAFEUGD-GRYCIOLGSA-N 1 3 226.364 1.517 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000308922965 349128559 /nfs/dbraw/zinc/12/85/59/349128559.db2.gz CNQJUFANCFXQMU-JTQLQIEISA-N 1 3 200.301 1.549 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000131403543 191010926 /nfs/dbraw/zinc/01/09/26/191010926.db2.gz FOSBCYOIAIXDRD-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1N)c1ccccc1 ZINC000422740631 192449659 /nfs/dbraw/zinc/44/96/59/192449659.db2.gz NWIXSOCALYTKQH-MGPQQGTHSA-N 1 3 234.343 1.844 20 0 BDADHO C[C@@H](CN1CCCCC1)NC(=O)CC(C)(C)[NH3+] ZINC000084165037 490377497 /nfs/dbraw/zinc/37/74/97/490377497.db2.gz VFIMOOTWGOKNKD-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000083527373 350234698 /nfs/dbraw/zinc/23/46/98/350234698.db2.gz DBHZOSFHPBCUEE-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CCCN(C)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000429184567 191100772 /nfs/dbraw/zinc/10/07/72/191100772.db2.gz QTDSIVZJKUYPMJ-ZDUSSCGKSA-N 1 3 243.395 1.208 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2COc3ccccc3C2)C1 ZINC000328144065 350376503 /nfs/dbraw/zinc/37/65/03/350376503.db2.gz RCVBJMBTLVVSTK-MGPQQGTHSA-N 1 3 246.354 1.850 20 0 BDADHO C(N[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000228556083 191105557 /nfs/dbraw/zinc/10/55/57/191105557.db2.gz RMEZHPMMNGDEKS-ZJUUUORDSA-N 1 3 200.351 1.081 20 0 BDADHO C[N@@H+]1CC[C@@H](NC[C@H](O)C2CCC2)CC1(C)C ZINC000623542950 362961437 /nfs/dbraw/zinc/96/14/37/362961437.db2.gz YGFFEUNKXOFSQC-OLZOCXBDSA-N 1 3 240.391 1.610 20 0 BDADHO C[N@H+]1CC[C@@H](NC[C@H](O)C2CCC2)CC1(C)C ZINC000623542950 362961442 /nfs/dbraw/zinc/96/14/42/362961442.db2.gz YGFFEUNKXOFSQC-OLZOCXBDSA-N 1 3 240.391 1.610 20 0 BDADHO CNCc1cccc(NC(=O)CCC[NH2+]C)c1 ZINC000237226343 350748141 /nfs/dbraw/zinc/74/81/41/350748141.db2.gz AWXIEVWZAJIQST-UHFFFAOYSA-N 1 3 235.331 1.344 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000237227012 350749011 /nfs/dbraw/zinc/74/90/11/350749011.db2.gz LUNYRRCDOUARNW-ZDUSSCGKSA-N 1 3 247.342 1.487 20 0 BDADHO CC(C)N(C)CCC[NH2+]CC[C@H]1CCOC1 ZINC000336676471 191124902 /nfs/dbraw/zinc/12/49/02/191124902.db2.gz PTXAJINLTMEDGW-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO Fc1ccc(CCNC2CC[NH2+]CC2)c(F)c1 ZINC000258815592 351067024 /nfs/dbraw/zinc/06/70/24/351067024.db2.gz CSNPCKLKNPFUBA-UHFFFAOYSA-N 1 3 240.297 1.849 20 0 BDADHO Fc1ccc(CC[NH2+]C2CCNCC2)c(F)c1 ZINC000258815592 351067026 /nfs/dbraw/zinc/06/70/26/351067026.db2.gz CSNPCKLKNPFUBA-UHFFFAOYSA-N 1 3 240.297 1.849 20 0 BDADHO C=Cn1cc(CNCC2(C)CC[NH+](C)CC2)cn1 ZINC000219394382 191132612 /nfs/dbraw/zinc/13/26/12/191132612.db2.gz FGYUHWVXZPPUPP-UHFFFAOYSA-N 1 3 248.374 1.805 20 0 BDADHO COC(=O)[C@@H]1CC[N@H+](C[C@@H](N)CC(C)C)[C@@H]1C ZINC000414764582 351700785 /nfs/dbraw/zinc/70/07/85/351700785.db2.gz YQLYWAOIPAFSGU-GRYCIOLGSA-N 1 3 242.363 1.243 20 0 BDADHO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](N)CC(C)C)[C@@H]1C ZINC000414764582 351700788 /nfs/dbraw/zinc/70/07/88/351700788.db2.gz YQLYWAOIPAFSGU-GRYCIOLGSA-N 1 3 242.363 1.243 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000637862723 351723735 /nfs/dbraw/zinc/72/37/35/351723735.db2.gz UFDCXXRUVBJPCR-NSHDSACASA-N 1 3 243.395 1.193 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)CNC2CC2)c1 ZINC000577750049 366053553 /nfs/dbraw/zinc/05/35/53/366053553.db2.gz OOVASDVROCLYOA-UHFFFAOYSA-N 1 3 233.315 1.144 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000638077938 351950829 /nfs/dbraw/zinc/95/08/29/351950829.db2.gz YORPZGQNJUCWHN-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000638098112 351980165 /nfs/dbraw/zinc/98/01/65/351980165.db2.gz ZDVRVMINULJMSC-GFCCVEGCSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000638098112 351980167 /nfs/dbraw/zinc/98/01/67/351980167.db2.gz ZDVRVMINULJMSC-GFCCVEGCSA-N 1 3 243.395 1.206 20 0 BDADHO CCN[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638173843 352038443 /nfs/dbraw/zinc/03/84/43/352038443.db2.gz DSJBGRUGBHDXHX-SECBINFHSA-N 1 3 221.304 1.082 20 0 BDADHO CO[C@@H](CNCCC[NH+](C)C)C1CCCC1 ZINC000638290410 352126284 /nfs/dbraw/zinc/12/62/84/352126284.db2.gz SGUQQWMEWPZPFG-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638366835 352178054 /nfs/dbraw/zinc/17/80/54/352178054.db2.gz SEOSIEASOHZSEM-GFCCVEGCSA-N 1 3 245.326 1.440 20 0 BDADHO C[NH+](C)CCCCNCc1cc(C2CC2)no1 ZINC000638452040 352262401 /nfs/dbraw/zinc/26/24/01/352262401.db2.gz UGOMABUFPCWNLN-UHFFFAOYSA-N 1 3 237.347 1.983 20 0 BDADHO CC[N@@H+]1CCC[C@@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638452418 352262988 /nfs/dbraw/zinc/26/29/88/352262988.db2.gz YXXQLEDBIUYAGS-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CCC[C@@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638452418 352262991 /nfs/dbraw/zinc/26/29/91/352262991.db2.gz YXXQLEDBIUYAGS-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)COCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000261536985 535176785 /nfs/dbraw/zinc/17/67/85/535176785.db2.gz ULLLLBHXCBDGJH-NEPJUHHUSA-N 1 3 214.353 1.328 20 0 BDADHO Cc1ccc(CCCN[C@@H](C)[C@@H](C)[NH3+])cn1 ZINC000415008530 352512625 /nfs/dbraw/zinc/51/26/25/352512625.db2.gz FDOGGLJNAGTBII-NEPJUHHUSA-N 1 3 221.348 1.648 20 0 BDADHO CC[C@](C)(O)C[NH+]1CCC2(CCCN2C)CC1 ZINC000334211980 352809310 /nfs/dbraw/zinc/80/93/10/352809310.db2.gz QRHOFBMVMIDOKZ-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO C[N@@H+]1CCC[C@]2(CCN(C[C@H]3CCCO3)C2)C1 ZINC000334235411 352852370 /nfs/dbraw/zinc/85/23/70/352852370.db2.gz HAPWMTWYMUHVIK-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@]2(CCN(C[C@H]3CCCO3)C2)C1 ZINC000334235411 352852372 /nfs/dbraw/zinc/85/23/72/352852372.db2.gz HAPWMTWYMUHVIK-KGLIPLIRSA-N 1 3 238.375 1.583 20 0 BDADHO CO[C@@H](C[NH2+]CC1=CCN(C)CC1)CC(C)C ZINC000638839149 353016353 /nfs/dbraw/zinc/01/63/53/353016353.db2.gz YMZIKCVVPXGSHR-CQSZACIVSA-N 1 3 240.391 1.899 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638815226 352996131 /nfs/dbraw/zinc/99/61/31/352996131.db2.gz BHHULMMZQDXKCY-WOPDTQHZSA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)C[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638821819 353002724 /nfs/dbraw/zinc/00/27/24/353002724.db2.gz BAVFJDBYCLSUFZ-RYUDHWBXSA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)C[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821820 353002793 /nfs/dbraw/zinc/00/27/93/353002793.db2.gz BAVFJDBYCLSUFZ-VXGBXAGGSA-N 1 3 241.379 1.090 20 0 BDADHO CC1([NH3+])CCN([C@@H]2CCSC2)CC1 ZINC000307514059 353079934 /nfs/dbraw/zinc/07/99/34/353079934.db2.gz OHLDGNPNMHMZFK-SECBINFHSA-N 1 3 200.351 1.305 20 0 BDADHO C[N@H+]1C[C@H]2CN(CCC[C@H]3CCO3)C[C@H]2C1 ZINC000639113709 353707484 /nfs/dbraw/zinc/70/74/84/353707484.db2.gz SHRIOLSZTHUPQZ-XQQFMLRXSA-N 1 3 224.348 1.049 20 0 BDADHO C[N@@H+]1C[C@H]2CN(CCC[C@H]3CCO3)C[C@H]2C1 ZINC000639113709 353707486 /nfs/dbraw/zinc/70/74/86/353707486.db2.gz SHRIOLSZTHUPQZ-XQQFMLRXSA-N 1 3 224.348 1.049 20 0 BDADHO C1CC1[C@@H]1OCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000232450670 353727094 /nfs/dbraw/zinc/72/70/94/353727094.db2.gz YFZVWULYZVYASS-UPJWGTAASA-N 1 3 224.348 1.286 20 0 BDADHO Fc1ccccc1CCNC[C@@H]1CCC[NH2+]C1 ZINC000006222365 181011788 /nfs/dbraw/zinc/01/17/88/181011788.db2.gz LKGGEIDOPQEVHS-GFCCVEGCSA-N 1 3 236.334 1.957 20 0 BDADHO Fc1ccccc1CCNC[C@H]1CCC[NH2+]C1 ZINC000006222367 181011865 /nfs/dbraw/zinc/01/18/65/181011865.db2.gz LKGGEIDOPQEVHS-LBPRGKRZSA-N 1 3 236.334 1.957 20 0 BDADHO Fc1ccccc1CCNC1CC[NH2+]CC1 ZINC000038040544 181012242 /nfs/dbraw/zinc/01/22/42/181012242.db2.gz VYMGEDUMZOWZAV-UHFFFAOYSA-N 1 3 222.307 1.710 20 0 BDADHO Fc1ccccc1CC[NH2+]C1CCNCC1 ZINC000038040544 181012245 /nfs/dbraw/zinc/01/22/45/181012245.db2.gz VYMGEDUMZOWZAV-UHFFFAOYSA-N 1 3 222.307 1.710 20 0 BDADHO CO[C@](C)(CN(C)CCC[NH+](C)C)C1CC1 ZINC000639168421 354073277 /nfs/dbraw/zinc/07/32/77/354073277.db2.gz UDUPPVHWYQNLCO-CYBMUJFWSA-N 1 3 228.380 1.685 20 0 BDADHO CC[C@@H](C)C[N@H+](C)CCCN(C)CCN(C)C ZINC000344019590 354082062 /nfs/dbraw/zinc/08/20/62/354082062.db2.gz FUVNUXMUHVZNKH-CQSZACIVSA-N 1 3 243.439 1.848 20 0 BDADHO CC[C@@H](C)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000344019590 354082066 /nfs/dbraw/zinc/08/20/66/354082066.db2.gz FUVNUXMUHVZNKH-CQSZACIVSA-N 1 3 243.439 1.848 20 0 BDADHO CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNC2 ZINC000449673608 202000297 /nfs/dbraw/zinc/00/02/97/202000297.db2.gz PHPYHQYMHIUBNA-ZDUSSCGKSA-N 1 3 247.342 1.459 20 0 BDADHO CCC[N@H+](CCN1CCN(CC)CC1)C(C)C ZINC000344194193 354180399 /nfs/dbraw/zinc/18/03/99/354180399.db2.gz ZQTCUFYKQVFCTR-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CCC[N@@H+](CCN1CCN(CC)CC1)C(C)C ZINC000344194193 354180400 /nfs/dbraw/zinc/18/04/00/354180400.db2.gz ZQTCUFYKQVFCTR-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCCSC1 ZINC000234263292 363418583 /nfs/dbraw/zinc/41/85/83/363418583.db2.gz SZIVKIOLNKQEHC-LLVKDONJSA-N 1 3 232.393 1.050 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH2+]C)C1(C)C ZINC000233778880 363408604 /nfs/dbraw/zinc/40/86/04/363408604.db2.gz PYCWGTHUKLRJLB-MNOVXSKESA-N 1 3 214.353 1.389 20 0 BDADHO CCOCCCN1CC[C@H]([NH2+]CCF)[C@@H](C)C1 ZINC000346557827 354967527 /nfs/dbraw/zinc/96/75/27/354967527.db2.gz ITCLIZNYFYLSBD-STQMWFEESA-N 1 3 246.370 1.683 20 0 BDADHO Cc1n[nH]cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346827900 355127598 /nfs/dbraw/zinc/12/75/98/355127598.db2.gz MUEJMMRRWDCLPZ-DRZSPHRISA-N 1 3 234.347 1.277 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346853503 355138885 /nfs/dbraw/zinc/13/88/85/355138885.db2.gz SSJUDUBRWRKZPU-UHTWSYAYSA-N 1 3 234.347 1.196 20 0 BDADHO CN(C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[NH2+]C1 ZINC000346975393 355209947 /nfs/dbraw/zinc/20/99/47/355209947.db2.gz IXAQGMSLXPTZOT-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[N@H+](C[C@@H]1CCC[C@H]1O)C[C@@H]1CCCNC1 ZINC000346975393 355209948 /nfs/dbraw/zinc/20/99/48/355209948.db2.gz IXAQGMSLXPTZOT-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[N@@H+](C[C@@H]1CCC[C@H]1O)C[C@@H]1CCCNC1 ZINC000346975393 355209949 /nfs/dbraw/zinc/20/99/49/355209949.db2.gz IXAQGMSLXPTZOT-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H](CN1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000412975579 191347282 /nfs/dbraw/zinc/34/72/82/191347282.db2.gz FYNJLTRXOKFZAH-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@@H](CN1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000412975579 191347285 /nfs/dbraw/zinc/34/72/85/191347285.db2.gz FYNJLTRXOKFZAH-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1CC2(CN1Cc1ccnn1C)CC[NH2+]CC2 ZINC000335281766 355273106 /nfs/dbraw/zinc/27/31/06/355273106.db2.gz XFYHRGMBLIHFJU-LBPRGKRZSA-N 1 3 248.374 1.384 20 0 BDADHO CN(C)C[C@@H]1CC[N@H+](CCOC(C)(C)C)C1 ZINC000113514116 355250365 /nfs/dbraw/zinc/25/03/65/355250365.db2.gz FETVCOITLPFTLZ-LBPRGKRZSA-N 1 3 228.380 1.685 20 0 BDADHO CN(C)C[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000113514116 355250367 /nfs/dbraw/zinc/25/03/67/355250367.db2.gz FETVCOITLPFTLZ-LBPRGKRZSA-N 1 3 228.380 1.685 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261583538 535285858 /nfs/dbraw/zinc/28/58/58/535285858.db2.gz PCRBHLMIQRRLTR-FRRDWIJNSA-N 1 3 228.380 1.501 20 0 BDADHO CC[NH2+]CCN[C@@H](C)CC1CCOCC1 ZINC000414845084 191598382 /nfs/dbraw/zinc/59/83/82/191598382.db2.gz LNHGXYPHSPOWDP-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H](CCC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415029359 191656472 /nfs/dbraw/zinc/65/64/72/191656472.db2.gz AVCCEUWBIOPDPO-YPMHNXCESA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](C[NH3+])CNCc1ccc(-n2ccnc2)cc1 ZINC000414877732 191611349 /nfs/dbraw/zinc/61/13/49/191611349.db2.gz NDAJTKREWLJPJN-GFCCVEGCSA-N 1 3 244.342 1.557 20 0 BDADHO C[C@H](CCCCO)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000398646565 355547856 /nfs/dbraw/zinc/54/78/56/355547856.db2.gz AENNAGVZJURPFX-JHJVBQTASA-N 1 3 228.380 1.658 20 0 BDADHO CN1CCCC[C@H](C[NH2+]CCC[C@H]2CCO2)C1 ZINC000639345924 355792414 /nfs/dbraw/zinc/79/24/14/355792414.db2.gz CUHILIBAQKNLBX-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC(CCO)CC1 ZINC000536609599 355844097 /nfs/dbraw/zinc/84/40/97/355844097.db2.gz VTOMVEKGRIPOOV-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC(CCO)CC1 ZINC000536609599 355844100 /nfs/dbraw/zinc/84/41/00/355844100.db2.gz VTOMVEKGRIPOOV-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO [NH3+]CCC1CCN(CCOCC(F)F)CC1 ZINC000583636259 355943852 /nfs/dbraw/zinc/94/38/52/355943852.db2.gz OZQUODZADGNLDH-UHFFFAOYSA-N 1 3 236.306 1.329 20 0 BDADHO CN1CCN(CC[NH2+]CC2(C)CC2)CC1(C)C ZINC000582220085 355953973 /nfs/dbraw/zinc/95/39/73/355953973.db2.gz GEMAZGSSYDMKMP-UHFFFAOYSA-N 1 3 239.407 1.402 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000584351798 356081327 /nfs/dbraw/zinc/08/13/27/356081327.db2.gz MDJPDDJOLFYFKL-UHFFFAOYSA-N 1 3 233.315 1.226 20 0 BDADHO C[C@H]1OCC[C@H]1CN1CCC([NH+](C)C)CC1 ZINC000639450511 356234457 /nfs/dbraw/zinc/23/44/57/356234457.db2.gz QJRRRRNIPILGEG-NEPJUHHUSA-N 1 3 226.364 1.437 20 0 BDADHO C[NH2+]CC1CCN(CCC(=O)OC(C)C)CC1 ZINC000420294250 192203759 /nfs/dbraw/zinc/20/37/59/192203759.db2.gz OGBWCRZWSATGJT-UHFFFAOYSA-N 1 3 242.363 1.260 20 0 BDADHO COCCC1(C[NH2+][C@H](C)C[C@H](C)N)CCC1 ZINC000422887953 192498217 /nfs/dbraw/zinc/49/82/17/192498217.db2.gz LUOVBETXPCDZCK-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCc1ccncc1 ZINC000420320910 192195656 /nfs/dbraw/zinc/19/56/56/192195656.db2.gz QVROZKZVUKXZBG-GXTWGEPZSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCc1ccncc1 ZINC000420320910 192195657 /nfs/dbraw/zinc/19/56/57/192195657.db2.gz QVROZKZVUKXZBG-GXTWGEPZSA-N 1 3 233.359 1.683 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCCc1ccncc1 ZINC000420320910 192195660 /nfs/dbraw/zinc/19/56/60/192195660.db2.gz QVROZKZVUKXZBG-GXTWGEPZSA-N 1 3 233.359 1.683 20 0 BDADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000420272909 192197095 /nfs/dbraw/zinc/19/70/95/192197095.db2.gz MSSWYIPCAAEYPV-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000420272909 192197098 /nfs/dbraw/zinc/19/70/98/192197098.db2.gz MSSWYIPCAAEYPV-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000336119420 134089716 /nfs/dbraw/zinc/08/97/16/134089716.db2.gz NPVWLSQENNORMR-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000336119420 134089717 /nfs/dbraw/zinc/08/97/17/134089717.db2.gz NPVWLSQENNORMR-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314802 192213300 /nfs/dbraw/zinc/21/33/00/192213300.db2.gz LLGPKOSZWHXOQP-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420314802 192213301 /nfs/dbraw/zinc/21/33/01/192213301.db2.gz LLGPKOSZWHXOQP-STQMWFEESA-N 1 3 226.364 1.616 20 0 BDADHO CC(C)[C@](C)(CN)[NH2+]CCCN1CCCCC1 ZINC000420317080 192212672 /nfs/dbraw/zinc/21/26/72/192212672.db2.gz MZJRBHCBFJSTSE-AWEZNQCLSA-N 1 3 241.423 1.825 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000420369823 192228615 /nfs/dbraw/zinc/22/86/15/192228615.db2.gz JATZBBCVXIHRIK-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO CNCCC[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000420369823 192228617 /nfs/dbraw/zinc/22/86/17/192228617.db2.gz JATZBBCVXIHRIK-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO C[NH2+]CCCN1CCCC[C@@H](CCOC)C1 ZINC000420369823 192228619 /nfs/dbraw/zinc/22/86/19/192228619.db2.gz JATZBBCVXIHRIK-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO CC(C)[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420359970 192222648 /nfs/dbraw/zinc/22/26/48/192222648.db2.gz LITUJIATPWDDOS-KBPBESRZSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1ccc([C@@H](C)NCCOCC[NH3+])cc1F ZINC000420400190 192238654 /nfs/dbraw/zinc/23/86/54/192238654.db2.gz IJSNNSAQOFHGNI-LLVKDONJSA-N 1 3 240.322 1.760 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000352676903 356402058 /nfs/dbraw/zinc/40/20/58/356402058.db2.gz VCQHGEUDAOXYIC-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000352676903 356402059 /nfs/dbraw/zinc/40/20/59/356402059.db2.gz VCQHGEUDAOXYIC-KBPBESRZSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H](C)N(CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420377079 192231237 /nfs/dbraw/zinc/23/12/37/192231237.db2.gz RNYCDYNOYVAPPM-VXGBXAGGSA-N 1 3 242.363 1.260 20 0 BDADHO COCC[C@H](C)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420375782 192231430 /nfs/dbraw/zinc/23/14/30/192231430.db2.gz UMIDWCYVTHAVHO-NNYUYHANSA-N 1 3 214.353 1.388 20 0 BDADHO CCn1nccc1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000420373671 192232434 /nfs/dbraw/zinc/23/24/34/192232434.db2.gz MVFIFIDDAJNWEJ-GFCCVEGCSA-N 1 3 236.363 1.334 20 0 BDADHO CCN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](C)O ZINC000352210150 134107685 /nfs/dbraw/zinc/10/76/85/134107685.db2.gz FPNDAGPFIBDMBS-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](C)O ZINC000352210150 134107686 /nfs/dbraw/zinc/10/76/86/134107686.db2.gz FPNDAGPFIBDMBS-CHWSQXEVSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](F)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336198506 134127682 /nfs/dbraw/zinc/12/76/82/134127682.db2.gz SDYGZAHZGMHKSA-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@H](F)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336198506 134127683 /nfs/dbraw/zinc/12/76/83/134127683.db2.gz SDYGZAHZGMHKSA-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO CO[C@@H](C)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639706280 356614390 /nfs/dbraw/zinc/61/43/90/356614390.db2.gz XGVKOZFGKLQAFS-ZDUSSCGKSA-N 1 3 249.358 1.629 20 0 BDADHO CO[C@@H](C)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639706280 356614393 /nfs/dbraw/zinc/61/43/93/356614393.db2.gz XGVKOZFGKLQAFS-ZDUSSCGKSA-N 1 3 249.358 1.629 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000423006084 192536135 /nfs/dbraw/zinc/53/61/35/192536135.db2.gz NXUVPZJUWLEPAO-QWRGUYRKSA-N 1 3 216.369 1.501 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423069830 192557380 /nfs/dbraw/zinc/55/73/80/192557380.db2.gz MJJVDYPTFOZCEF-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO CSCCCCC[NH2+][C@@H](C)C1CNC1 ZINC000423052260 192553364 /nfs/dbraw/zinc/55/33/64/192553364.db2.gz PJQNMCAHBDELAC-JTQLQIEISA-N 1 3 216.394 1.717 20 0 BDADHO CCC[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000450402269 202156816 /nfs/dbraw/zinc/15/68/16/202156816.db2.gz KQJNNGFGAXAYCL-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCc2n[nH]cc2C1 ZINC000578185496 366369708 /nfs/dbraw/zinc/36/97/08/366369708.db2.gz MLRWTIFVQSGUDF-SCRDCRAPSA-N 1 3 248.374 1.517 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1CCC[C@@H]1F ZINC000423149802 192590874 /nfs/dbraw/zinc/59/08/74/192590874.db2.gz XWJWBTGENFMPSZ-LMLFDSFASA-N 1 3 200.301 1.594 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000578193615 366379762 /nfs/dbraw/zinc/37/97/62/366379762.db2.gz IRUWKYMBHVQAKB-MMWGEVLESA-N 1 3 202.317 1.983 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H](O)CN(C)CC)CCS1 ZINC000390587755 357102360 /nfs/dbraw/zinc/10/23/60/357102360.db2.gz RJJOPLMHXPVDEI-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H](O)CN(C)CC)CCS1 ZINC000390587755 357102362 /nfs/dbraw/zinc/10/23/62/357102362.db2.gz RJJOPLMHXPVDEI-NWDGAFQWSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C(C)(C)C1)N(C)C ZINC000623403135 357066565 /nfs/dbraw/zinc/06/65/65/357066565.db2.gz LBBYITURGHCWDC-NWDGAFQWSA-N 1 3 227.396 1.399 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000393690306 357293653 /nfs/dbraw/zinc/29/36/53/357293653.db2.gz DZZCQHHAOHEQOC-QJPTWQEYSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423297366 192685027 /nfs/dbraw/zinc/68/50/27/192685027.db2.gz KAJOYTAACUWRRW-FDYHWXHSSA-N 1 3 238.375 1.519 20 0 BDADHO Cc1cnccc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000582857291 357421814 /nfs/dbraw/zinc/42/18/14/357421814.db2.gz ZOZMJAVBSPEBLT-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000582857291 357421821 /nfs/dbraw/zinc/42/18/21/357421821.db2.gz ZOZMJAVBSPEBLT-UONOGXRCSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ncc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)n1C ZINC000582916586 357436099 /nfs/dbraw/zinc/43/60/99/357436099.db2.gz WBNVXFBRRMHIEC-JQWIXIFHSA-N 1 3 236.363 1.301 20 0 BDADHO Cc1ncc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)n1C ZINC000582916588 357436633 /nfs/dbraw/zinc/43/66/33/357436633.db2.gz WBNVXFBRRMHIEC-PWSUYJOCSA-N 1 3 236.363 1.301 20 0 BDADHO C[C@@H](CN[C@H]1COC(C)(C)C1)C[NH+](C)C ZINC000396829684 357484637 /nfs/dbraw/zinc/48/46/37/357484637.db2.gz PJAYRMXNMVXKJD-WDEREUQCSA-N 1 3 214.353 1.341 20 0 BDADHO CCN(CC)CCC[NH2+]C1CCC(O)CC1 ZINC000233453464 357724105 /nfs/dbraw/zinc/72/41/05/357724105.db2.gz RSLXNTBOYATRSY-UHFFFAOYSA-N 1 3 228.380 1.611 20 0 BDADHO COCCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000234629717 357820872 /nfs/dbraw/zinc/82/08/72/357820872.db2.gz IQSCVUCLEXGPPR-OLZOCXBDSA-N 1 3 228.380 1.910 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573397 134226943 /nfs/dbraw/zinc/22/69/43/134226943.db2.gz KUHWQPBHAIGDHY-RYUDHWBXSA-N 1 3 226.364 1.256 20 0 BDADHO C[C@]1(CN[C@H]2CCC[NH2+]CC2)CCCO1 ZINC000168771417 134247534 /nfs/dbraw/zinc/24/75/34/134247534.db2.gz LPPUDGLYOBDEQU-NWDGAFQWSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCCNCC2)CCCO1 ZINC000168771417 134247535 /nfs/dbraw/zinc/24/75/35/134247535.db2.gz LPPUDGLYOBDEQU-NWDGAFQWSA-N 1 3 212.337 1.287 20 0 BDADHO FC(F)(F)COCCN[C@H]1CCC[NH2+]CC1 ZINC000168753343 134248003 /nfs/dbraw/zinc/24/80/03/134248003.db2.gz QVPHPESALSLVSJ-VIFPVBQESA-N 1 3 240.269 1.297 20 0 BDADHO CCC1([NH+](C)C)CCN(C[C@@H]2CCOC2)CC1 ZINC000640018199 358080730 /nfs/dbraw/zinc/08/07/30/358080730.db2.gz WGJZQFXMXDUCMF-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CCC1(N(C)C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000640018199 358080732 /nfs/dbraw/zinc/08/07/32/358080732.db2.gz WGJZQFXMXDUCMF-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000223720611 358230050 /nfs/dbraw/zinc/23/00/50/358230050.db2.gz RDHFROIBRZUQTD-AGIUHOORSA-N 1 3 226.364 1.805 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000040620967 358243273 /nfs/dbraw/zinc/24/32/73/358243273.db2.gz STRXLTKSFOSKMO-NWDGAFQWSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCSC2)C1 ZINC000040620967 358243277 /nfs/dbraw/zinc/24/32/77/358243277.db2.gz STRXLTKSFOSKMO-NWDGAFQWSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCSC2)C1 ZINC000040620967 358243280 /nfs/dbraw/zinc/24/32/80/358243280.db2.gz STRXLTKSFOSKMO-NWDGAFQWSA-N 1 3 228.405 1.812 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(C)CC2)C1 ZINC000040620889 358243441 /nfs/dbraw/zinc/24/34/41/358243441.db2.gz ZCZYSDZVIFKTOH-CYBMUJFWSA-N 1 3 239.407 1.401 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCCO)C1 ZINC000229106694 358344931 /nfs/dbraw/zinc/34/49/31/358344931.db2.gz ROCOLGQTIBMMFJ-GHMZBOCLSA-N 1 3 200.326 1.009 20 0 BDADHO CSCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000229207989 358363743 /nfs/dbraw/zinc/36/37/43/358363743.db2.gz DTOILFWZXJCSDX-MNOVXSKESA-N 1 3 216.394 1.989 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000227914068 358366717 /nfs/dbraw/zinc/36/67/17/358366717.db2.gz DTQGYDIJPIEVTC-NEPJUHHUSA-N 1 3 228.380 1.645 20 0 BDADHO C[NH2+]CCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000043604197 358383413 /nfs/dbraw/zinc/38/34/13/358383413.db2.gz AKFKZHIITGUMDL-UHFFFAOYSA-N 1 3 235.331 1.296 20 0 BDADHO COCC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000045037689 358400153 /nfs/dbraw/zinc/40/01/53/358400153.db2.gz BMVLYLSTWRTXSL-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO C1C[C@H]2C[C@H](N[C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130214757 358615458 /nfs/dbraw/zinc/61/54/58/358615458.db2.gz VPEYVKXRBBRSTR-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@H](N[C@@H]3CCCOC3)CC[N@H+]2C1 ZINC000130214757 358615461 /nfs/dbraw/zinc/61/54/61/358615461.db2.gz VPEYVKXRBBRSTR-UPJWGTAASA-N 1 3 224.348 1.382 20 0 BDADHO C(C[NH2+]C[C@H]1CCCOC1)CN1CCCC1 ZINC000049332569 358683514 /nfs/dbraw/zinc/68/35/14/358683514.db2.gz PHEAQOAJOUZCKM-CYBMUJFWSA-N 1 3 226.364 1.489 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[NH+]1CCCCC1 ZINC000132247580 358713751 /nfs/dbraw/zinc/71/37/51/358713751.db2.gz NXRFOZHTJZBVFP-QWHCGFSZSA-N 1 3 228.380 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](COC)C(C)C)C1 ZINC000246858819 359171228 /nfs/dbraw/zinc/17/12/28/359171228.db2.gz CWSZBOKVOFBBDZ-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO CN(C)Cc1ccc(C(=O)NCCCC[NH3+])cc1 ZINC000580443925 359551438 /nfs/dbraw/zinc/55/14/38/359551438.db2.gz CREWFIMNBWDWLH-UHFFFAOYSA-N 1 3 249.358 1.217 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@H]2CCOC2)CC1(C)C ZINC000623471311 359857481 /nfs/dbraw/zinc/85/74/81/359857481.db2.gz WTUPVUVOOVQWMB-MNOVXSKESA-N 1 3 212.337 1.238 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@H]2CCOC2)CC1(C)C ZINC000623471311 359857485 /nfs/dbraw/zinc/85/74/85/359857485.db2.gz WTUPVUVOOVQWMB-MNOVXSKESA-N 1 3 212.337 1.238 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](COC)C(C)C ZINC000087477259 359913952 /nfs/dbraw/zinc/91/39/52/359913952.db2.gz BBTGFPSHZPGTHU-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](COC)C(C)C ZINC000087477259 359913958 /nfs/dbraw/zinc/91/39/58/359913958.db2.gz BBTGFPSHZPGTHU-ZDUSSCGKSA-N 1 3 230.396 1.979 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000578549641 366594378 /nfs/dbraw/zinc/59/43/78/366594378.db2.gz UNPJMOQACMBHGW-VOAKCMCISA-N 1 3 226.364 1.804 20 0 BDADHO Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])cn1 ZINC000089146300 359992671 /nfs/dbraw/zinc/99/26/71/359992671.db2.gz TXIJEWCBEJHXEV-KBPBESRZSA-N 1 3 233.359 1.997 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000089145876 359992877 /nfs/dbraw/zinc/99/28/77/359992877.db2.gz NMLNSYMOHIXTPH-OUCADQQQSA-N 1 3 237.391 1.330 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000089146682 359993087 /nfs/dbraw/zinc/99/30/87/359993087.db2.gz YYEFIKSUSJVZRJ-CHWSQXEVSA-N 1 3 240.391 1.789 20 0 BDADHO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000089147307 359993127 /nfs/dbraw/zinc/99/31/27/359993127.db2.gz DWTKUMFZKIOOQC-HIFRSBDPSA-N 1 3 248.370 1.955 20 0 BDADHO COCCOCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000089140600 359993200 /nfs/dbraw/zinc/99/32/00/359993200.db2.gz UDIOZNVQLZJIDW-QWHCGFSZSA-N 1 3 244.379 1.147 20 0 BDADHO Cn1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253580 360159129 /nfs/dbraw/zinc/15/91/29/360159129.db2.gz OYCRWAFDYDHCKA-CYBMUJFWSA-N 1 3 235.375 1.799 20 0 BDADHO Cn1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253580 360159133 /nfs/dbraw/zinc/15/91/33/360159133.db2.gz OYCRWAFDYDHCKA-CYBMUJFWSA-N 1 3 235.375 1.799 20 0 BDADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCCCn1ccnc1 ZINC000093462945 360245605 /nfs/dbraw/zinc/24/56/05/360245605.db2.gz QUUWFZNILAUGIS-QWHCGFSZSA-N 1 3 236.363 1.393 20 0 BDADHO COC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000309637900 491153366 /nfs/dbraw/zinc/15/33/66/491153366.db2.gz JXEZGKXPLVODAA-VXGBXAGGSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408129 361056418 /nfs/dbraw/zinc/05/64/18/361056418.db2.gz QMICPQXGFWOAMU-GMXVVIOVSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1ccccc1C[NH2+]CC1(N)CCOCC1 ZINC000629387560 361038744 /nfs/dbraw/zinc/03/87/44/361038744.db2.gz JBSIPBMDINPZFB-UHFFFAOYSA-N 1 3 234.343 1.593 20 0 BDADHO NC1(C[NH2+]C/C=C/c2ccccc2)CCOCC1 ZINC000629388357 361041339 /nfs/dbraw/zinc/04/13/39/361041339.db2.gz SYWKNHOIMRVQEM-QPJJXVBHSA-N 1 3 246.354 1.797 20 0 BDADHO Cc1ccc(C)c(CNCCOCCC[NH3+])c1 ZINC000629397971 361048041 /nfs/dbraw/zinc/04/80/41/361048041.db2.gz HWUPTVQPPKCQCB-UHFFFAOYSA-N 1 3 236.359 1.758 20 0 BDADHO CCO[C@H](C[N@@H+]1CCCNCC1)C1CC1 ZINC000629508891 361102217 /nfs/dbraw/zinc/10/22/17/361102217.db2.gz FLZUBAYKULUVIS-GFCCVEGCSA-N 1 3 212.337 1.097 20 0 BDADHO CCO[C@H](C[N@H+]1CCCNCC1)C1CC1 ZINC000629508891 361102221 /nfs/dbraw/zinc/10/22/21/361102221.db2.gz FLZUBAYKULUVIS-GFCCVEGCSA-N 1 3 212.337 1.097 20 0 BDADHO CCO[C@H](CN1CCC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629507243 361106280 /nfs/dbraw/zinc/10/62/80/361106280.db2.gz AVAOPDNTQNQSGO-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1csc(C)c1 ZINC000629530509 361144494 /nfs/dbraw/zinc/14/44/94/361144494.db2.gz IPNAQCALFYMHCA-LLVKDONJSA-N 1 3 242.388 1.943 20 0 BDADHO N[C@@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000041027793 361147707 /nfs/dbraw/zinc/14/77/07/361147707.db2.gz PYXJBXWJMVXNCO-LLVKDONJSA-N 1 3 240.347 1.095 20 0 BDADHO N[C@@H]1CCC[N@H+](C2CCC3(CC2)OCCO3)C1 ZINC000041027793 361147711 /nfs/dbraw/zinc/14/77/11/361147711.db2.gz PYXJBXWJMVXNCO-LLVKDONJSA-N 1 3 240.347 1.095 20 0 BDADHO CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccncc1 ZINC000629522325 361123099 /nfs/dbraw/zinc/12/30/99/361123099.db2.gz ZUFCNUPPHZTQJW-ZDUSSCGKSA-N 1 3 249.358 1.630 20 0 BDADHO CC1(C)CN(C[C@H]2CCC[NH2+]C2)CCS1 ZINC000158592275 361205524 /nfs/dbraw/zinc/20/55/24/361205524.db2.gz RPAOUPHJIWVZEA-NSHDSACASA-N 1 3 228.405 1.813 20 0 BDADHO CC(C)(C[NH2+]CC1(O)CCC1)CN1CCCC1 ZINC000579228182 366738210 /nfs/dbraw/zinc/73/82/10/366738210.db2.gz CEFQVTXGFWJIHD-UHFFFAOYSA-N 1 3 240.391 1.613 20 0 BDADHO CC(C)(CNCC1(O)CCC1)C[NH+]1CCCC1 ZINC000579228182 366738216 /nfs/dbraw/zinc/73/82/16/366738216.db2.gz CEFQVTXGFWJIHD-UHFFFAOYSA-N 1 3 240.391 1.613 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000622043414 370674179 /nfs/dbraw/zinc/67/41/79/370674179.db2.gz AHLAWZJKVZRAOI-IVZWLZJFSA-N 1 3 218.291 1.891 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000622043412 370674228 /nfs/dbraw/zinc/67/42/28/370674228.db2.gz AHLAWZJKVZRAOI-AEJSXWLSSA-N 1 3 218.291 1.891 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622044077 370675303 /nfs/dbraw/zinc/67/53/03/370675303.db2.gz UIFJDDFKJMTOGK-AEJSXWLSSA-N 1 3 218.291 1.749 20 0 BDADHO CCC1(CC)[C@@H](NCC[C@H](C)[NH3+])C[C@@H]1OC ZINC000622045463 370680162 /nfs/dbraw/zinc/68/01/62/370680162.db2.gz WJXBWLIMSBZZRW-SRVKXCTJSA-N 1 3 228.380 1.907 20 0 BDADHO CCC1(CC)[C@@H]([NH2+]CC[C@H](C)N)C[C@@H]1OC ZINC000622045463 370680163 /nfs/dbraw/zinc/68/01/63/370680163.db2.gz WJXBWLIMSBZZRW-SRVKXCTJSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCN ZINC000162420906 361351396 /nfs/dbraw/zinc/35/13/96/361351396.db2.gz TXWBRNMYQJXDTE-JTQLQIEISA-N 1 3 210.296 1.695 20 0 BDADHO C[C@@H](Cc1ccc(F)cc1)NCCC[NH3+] ZINC000162420906 361351401 /nfs/dbraw/zinc/35/14/01/361351401.db2.gz TXWBRNMYQJXDTE-JTQLQIEISA-N 1 3 210.296 1.695 20 0 BDADHO NC1(C(=O)NCC2([NH3+])CCCCCC2)CCC1 ZINC000336229136 181331353 /nfs/dbraw/zinc/33/13/53/181331353.db2.gz XXYATUMHVAULEQ-UHFFFAOYSA-N 1 3 239.363 1.036 20 0 BDADHO CCC[C@@H](C)CCC[N@H+](C)C[C@H](O)CN ZINC000629539182 361404731 /nfs/dbraw/zinc/40/47/31/361404731.db2.gz VPESFBSPBNNEGB-VXGBXAGGSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@@H](C)CCC[N@@H+](C)C[C@H](O)CN ZINC000629539182 361404735 /nfs/dbraw/zinc/40/47/35/361404735.db2.gz VPESFBSPBNNEGB-VXGBXAGGSA-N 1 3 216.369 1.454 20 0 BDADHO CCC[C@@H](C)CCCN(C)C[C@H](O)C[NH3+] ZINC000629539182 361404739 /nfs/dbraw/zinc/40/47/39/361404739.db2.gz VPESFBSPBNNEGB-VXGBXAGGSA-N 1 3 216.369 1.454 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN[C@H]1C)[C@H]1CCCOC1 ZINC000629543566 361411213 /nfs/dbraw/zinc/41/12/13/361411213.db2.gz DCCLCMVPBDCDFD-FIQHERPVSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629543578 361411725 /nfs/dbraw/zinc/41/17/25/361411725.db2.gz DFLKPQMRJKBZBW-FIQHERPVSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1ccc(F)cc1 ZINC000629535835 361411814 /nfs/dbraw/zinc/41/18/14/361411814.db2.gz DGSVOFYLWZFCHU-NSHDSACASA-N 1 3 240.322 1.842 20 0 BDADHO Cc1cc([C@@H](C)NCCOCCC[NH3+])c(C)o1 ZINC000629534615 361407360 /nfs/dbraw/zinc/40/73/60/361407360.db2.gz BAAACMQAFUNPQF-LLVKDONJSA-N 1 3 240.347 1.912 20 0 BDADHO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629547116 361430854 /nfs/dbraw/zinc/43/08/54/361430854.db2.gz RPPKCBOJNDQKED-LOWDOPEQSA-N 1 3 226.364 1.532 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629547117 361430957 /nfs/dbraw/zinc/43/09/57/361430957.db2.gz RPPKCBOJNDQKED-RVMXOQNASA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCN[C@H]1C)C1CCOCC1 ZINC000629548991 361435318 /nfs/dbraw/zinc/43/53/18/361435318.db2.gz TXHMITURNDSSDU-JFGNBEQYSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000629553626 361438941 /nfs/dbraw/zinc/43/89/41/361438941.db2.gz BULVSWBRPDLIMS-NNYUYHANSA-N 1 3 212.337 1.128 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)C1CNC1 ZINC000629554415 361440029 /nfs/dbraw/zinc/44/00/29/361440029.db2.gz IENGDTLYYZPPGT-ZYHUDNBSSA-N 1 3 208.349 1.764 20 0 BDADHO C[NH2+]CCOCCN(C)[C@H](C)c1ccccc1 ZINC000629565816 361457012 /nfs/dbraw/zinc/45/70/12/361457012.db2.gz HMTMNNPQNMYBKF-CYBMUJFWSA-N 1 3 236.359 1.915 20 0 BDADHO C[NH2+]CCC1CCN(Cc2ccn(C)c2)CC1 ZINC000629647564 361537735 /nfs/dbraw/zinc/53/77/35/361537735.db2.gz ZSBXNXSYNZJVBE-UHFFFAOYSA-N 1 3 235.375 1.847 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccn(C)c2)C1 ZINC000629647552 361538062 /nfs/dbraw/zinc/53/80/62/361538062.db2.gz ZEPWVRTZKWQOJP-PWSUYJOCSA-N 1 3 207.321 1.194 20 0 BDADHO CC[C@H]([NH3+])CNCC1(OC)CCCC1 ZINC000629648919 361542473 /nfs/dbraw/zinc/54/24/73/361542473.db2.gz CPPGNCIOHCFBCY-JTQLQIEISA-N 1 3 200.326 1.273 20 0 BDADHO C[C@@H](CNCC1([NH3+])CCOCC1)c1ccccc1 ZINC000629652987 361551206 /nfs/dbraw/zinc/55/12/06/361551206.db2.gz CYPOZABUBODHKM-ZDUSSCGKSA-N 1 3 248.370 1.888 20 0 BDADHO C[C@]1(C[NH3+])CCN(CC2=CCCOC2)C1 ZINC000629652855 361551735 /nfs/dbraw/zinc/55/17/35/361551735.db2.gz DWOKJBXAWFPNSM-GFCCVEGCSA-N 1 3 210.321 1.004 20 0 BDADHO C[C@]1(CN)CC[N@H+](CC2=CCCOC2)C1 ZINC000629652855 361551739 /nfs/dbraw/zinc/55/17/39/361551739.db2.gz DWOKJBXAWFPNSM-GFCCVEGCSA-N 1 3 210.321 1.004 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CC2=CCCOC2)C1 ZINC000629652855 361551746 /nfs/dbraw/zinc/55/17/46/361551746.db2.gz DWOKJBXAWFPNSM-GFCCVEGCSA-N 1 3 210.321 1.004 20 0 BDADHO C[C@@]1(CN2C[C@@H]3CCC[C@]3(CO)C2)CC[NH2+]C1 ZINC000629661856 361594696 /nfs/dbraw/zinc/59/46/96/361594696.db2.gz CYIKFPXLPXGARP-BFHYXJOUSA-N 1 3 238.375 1.080 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2C)CCN1C ZINC000154518166 201282134 /nfs/dbraw/zinc/28/21/34/201282134.db2.gz AJSCCWPJWGCKSV-UPJWGTAASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000133960598 364380650 /nfs/dbraw/zinc/38/06/50/364380650.db2.gz WOHQUHBXFDHEBR-NWDGAFQWSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@@H]1OCC[C@H]1NCCC[NH+]1CCCC1 ZINC000133960598 364380656 /nfs/dbraw/zinc/38/06/56/364380656.db2.gz WOHQUHBXFDHEBR-NWDGAFQWSA-N 1 3 212.337 1.239 20 0 BDADHO Cc1ccccc1C[C@H](C)[NH2+]CCCN ZINC000135294137 364433475 /nfs/dbraw/zinc/43/34/75/364433475.db2.gz LNXDNADZWBTADD-LBPRGKRZSA-N 1 3 206.333 1.864 20 0 BDADHO Cc1ccccc1C[C@H](C)NCCC[NH3+] ZINC000135294137 364433484 /nfs/dbraw/zinc/43/34/84/364433484.db2.gz LNXDNADZWBTADD-LBPRGKRZSA-N 1 3 206.333 1.864 20 0 BDADHO [NH3+]CC1CCN(CCOCC(F)(F)F)CC1 ZINC000049311262 181365156 /nfs/dbraw/zinc/36/51/56/181365156.db2.gz CBGZCKMQLWHKFW-UHFFFAOYSA-N 1 3 240.269 1.236 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000573624033 364878434 /nfs/dbraw/zinc/87/84/34/364878434.db2.gz HUNOTZJMADKSIZ-ZDEQEGDKSA-N 1 3 226.364 1.397 20 0 BDADHO NCCC[N@H+](CC1CCCC1)C[C@H]1CCOC1 ZINC000352494864 181379349 /nfs/dbraw/zinc/37/93/49/181379349.db2.gz GINFMPPKQVZSPZ-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO NCCC[N@@H+](CC1CCCC1)C[C@H]1CCOC1 ZINC000352494864 181379351 /nfs/dbraw/zinc/37/93/51/181379351.db2.gz GINFMPPKQVZSPZ-CQSZACIVSA-N 1 3 240.391 1.864 20 0 BDADHO CC1=CCN(CCN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000574339289 365041110 /nfs/dbraw/zinc/04/11/10/365041110.db2.gz OWCNBUKDWVTJKC-UONOGXRCSA-N 1 3 237.391 1.498 20 0 BDADHO [NH3+]CCCN[C@H]1CCc2ccc(F)cc21 ZINC000336663688 181383463 /nfs/dbraw/zinc/38/34/63/181383463.db2.gz KXRKHJJXKZXGPO-LBPRGKRZSA-N 1 3 208.280 1.751 20 0 BDADHO [NH3+]CCCNCc1ccc(Br)cc1 ZINC000037713069 181383500 /nfs/dbraw/zinc/38/35/00/181383500.db2.gz HMBCWGBXTKKVKZ-UHFFFAOYSA-N 1 3 243.148 1.888 20 0 BDADHO CCC[C@@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000574881703 365168046 /nfs/dbraw/zinc/16/80/46/365168046.db2.gz HJDYPOZPRGSLLI-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000574881703 365168051 /nfs/dbraw/zinc/16/80/51/365168051.db2.gz HJDYPOZPRGSLLI-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CCC[C@@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000574881703 365168054 /nfs/dbraw/zinc/16/80/54/365168054.db2.gz HJDYPOZPRGSLLI-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H]1CN(C)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000574807133 365147399 /nfs/dbraw/zinc/14/73/99/365147399.db2.gz PMAJDCLDVZDZIC-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H]1CN(C)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000574807133 365147406 /nfs/dbraw/zinc/14/74/06/365147406.db2.gz PMAJDCLDVZDZIC-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000575243501 365268244 /nfs/dbraw/zinc/26/82/44/365268244.db2.gz ANUQXCLPVPKKND-LMLFDSFASA-N 1 3 206.289 1.605 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000575882028 365404834 /nfs/dbraw/zinc/40/48/34/365404834.db2.gz GJWVMTQVHASRCB-MBJXGIAVSA-N 1 3 238.375 1.804 20 0 BDADHO COC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCO1 ZINC000576052483 365466462 /nfs/dbraw/zinc/46/64/62/365466462.db2.gz MDOXNXJTVIXZCC-NDBYEHHHSA-N 1 3 242.363 1.040 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000576002987 365445032 /nfs/dbraw/zinc/44/50/32/365445032.db2.gz IHTONSIYTFQQKK-ZNSHCXBVSA-N 1 3 200.326 1.269 20 0 BDADHO C[C@@H]1OCCN(CC[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000380534395 367231657 /nfs/dbraw/zinc/23/16/57/367231657.db2.gz MXDOHBTWURBMOE-AVGNSLFASA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)[C@H](C)NC1CC1 ZINC000581370378 367402023 /nfs/dbraw/zinc/40/20/23/367402023.db2.gz SNBDEPJCUFBJAT-JTQLQIEISA-N 1 3 247.342 1.485 20 0 BDADHO C(CNC1CC1)C[NH2+]CC[C@H]1CCOC1 ZINC000382562318 367539987 /nfs/dbraw/zinc/53/99/87/367539987.db2.gz WZKAWHNZTPOFFO-NSHDSACASA-N 1 3 212.337 1.145 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1(N(C)C)CCC1 ZINC000382842649 367564071 /nfs/dbraw/zinc/56/40/71/367564071.db2.gz WUNCLMALACLXMJ-QWHCGFSZSA-N 1 3 239.407 1.401 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C)CC1 ZINC000581613088 367634568 /nfs/dbraw/zinc/63/45/68/367634568.db2.gz QZUZEFKHISEELV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](C)CC1 ZINC000581613088 367634570 /nfs/dbraw/zinc/63/45/70/367634570.db2.gz QZUZEFKHISEELV-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2)[C@@H](C)O1 ZINC000384571687 367701748 /nfs/dbraw/zinc/70/17/48/367701748.db2.gz JGQSUQBRFCIFGU-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+]2CCCC2)[C@@H](C)O1 ZINC000384571687 367701754 /nfs/dbraw/zinc/70/17/54/367701754.db2.gz JGQSUQBRFCIFGU-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCN1CCNCC1 ZINC000384018455 367668285 /nfs/dbraw/zinc/66/82/85/367668285.db2.gz QIVWNQJMKYXPMH-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO CC[C@@H]1[C@@H](C)CC[N@H+]1CCN1CCNCC1 ZINC000384018455 367668293 /nfs/dbraw/zinc/66/82/93/367668293.db2.gz QIVWNQJMKYXPMH-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)[C@@H](C)O1 ZINC000384714290 367719401 /nfs/dbraw/zinc/71/94/01/367719401.db2.gz GZPXOLGZGSELHY-ZIQFBCGOSA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)[C@H](C)O1 ZINC000384735291 367723575 /nfs/dbraw/zinc/72/35/75/367723575.db2.gz KMSLESSIRDNJGZ-SJHCENCUSA-N 1 3 226.364 1.659 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1C[C@@H](C)O[C@H]1C ZINC000384925799 367758669 /nfs/dbraw/zinc/75/86/69/367758669.db2.gz PRTFOQPPMZWRKC-AGIUHOORSA-N 1 3 228.380 1.872 20 0 BDADHO CCNCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000566088034 325992370 /nfs/dbraw/zinc/99/23/70/325992370.db2.gz OUAHXYPIKBFROX-CYBMUJFWSA-N 1 3 240.391 1.925 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000384928421 367760712 /nfs/dbraw/zinc/76/07/12/367760712.db2.gz SAUCFQCVIQKJKZ-JHJVBQTASA-N 1 3 240.391 1.752 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384928421 367760714 /nfs/dbraw/zinc/76/07/14/367760714.db2.gz SAUCFQCVIQKJKZ-JHJVBQTASA-N 1 3 240.391 1.752 20 0 BDADHO CC(C)(CO)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000385953192 367890301 /nfs/dbraw/zinc/89/03/01/367890301.db2.gz XVBQOVYPHYGQEP-RYUDHWBXSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H](NCC1(N(C)C)CCC1)[C@@H]1CCCC[NH2+]1 ZINC000385991377 367893677 /nfs/dbraw/zinc/89/36/77/367893677.db2.gz JCVLKBVQTPPIPD-OLZOCXBDSA-N 1 3 239.407 1.591 20 0 BDADHO COC[C@H](C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386544406 367989137 /nfs/dbraw/zinc/98/91/37/367989137.db2.gz FFKBMRBVGSSJLW-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)N(C)C ZINC000386574146 367994223 /nfs/dbraw/zinc/99/42/23/367994223.db2.gz MPWSUOVKIHZFRU-SDDRHHMPSA-N 1 3 213.369 1.057 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000087668304 367962874 /nfs/dbraw/zinc/96/28/74/367962874.db2.gz YZFXFIXNIHVMIP-VWYCJHECSA-N 1 3 214.378 1.742 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCS2)C1 ZINC000087668304 367962876 /nfs/dbraw/zinc/96/28/76/367962876.db2.gz YZFXFIXNIHVMIP-VWYCJHECSA-N 1 3 214.378 1.742 20 0 BDADHO C[C@H](NCCN1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000386464875 367979235 /nfs/dbraw/zinc/97/92/35/367979235.db2.gz PTCIWSKHQGTLSP-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1CC[C@H](N[C@@H]2CCO[C@H](C)C2)C[NH2+]1 ZINC000399255640 368047620 /nfs/dbraw/zinc/04/76/20/368047620.db2.gz ZRWMARUUHFEZHX-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO CC(C)CN1CCC([NH2+]CC2(C)COC2)CC1 ZINC000164357202 203004050 /nfs/dbraw/zinc/00/40/50/203004050.db2.gz QHOBSZIAYVKTOC-UHFFFAOYSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)C[NH+]1CCC(NCC2(C)COC2)CC1 ZINC000164357202 203004054 /nfs/dbraw/zinc/00/40/54/203004054.db2.gz QHOBSZIAYVKTOC-UHFFFAOYSA-N 1 3 240.391 1.733 20 0 BDADHO Nc1ccc2c(c1)CC[C@@H]2NCCC[NH3+] ZINC000086728282 368884156 /nfs/dbraw/zinc/88/41/56/368884156.db2.gz YUJYUMDHUYZNPV-LBPRGKRZSA-N 1 3 205.305 1.195 20 0 BDADHO C[C@H]1OCC[C@@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631830132 369007083 /nfs/dbraw/zinc/00/70/83/369007083.db2.gz KUCAIUNIYUAUTO-SYQHCUMBSA-N 1 3 238.375 1.343 20 0 BDADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000623655869 368991287 /nfs/dbraw/zinc/99/12/87/368991287.db2.gz HUQJDWARACYUHJ-MGPQQGTHSA-N 1 3 239.407 1.258 20 0 BDADHO CNC[C@@](C)(O)C[NH+]1CCC(CCF)CC1 ZINC000631837205 369090182 /nfs/dbraw/zinc/09/01/82/369090182.db2.gz OTBCMNVSLGCSOG-GFCCVEGCSA-N 1 3 232.343 1.028 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)C[C@@H](C)O)C[C@H]1C ZINC000459356597 203268881 /nfs/dbraw/zinc/26/88/81/203268881.db2.gz LNZMECABCNOBID-IJLUTSLNSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)C[C@@H](C)O)C[C@H]1C ZINC000459356597 203268883 /nfs/dbraw/zinc/26/88/83/203268883.db2.gz LNZMECABCNOBID-IJLUTSLNSA-N 1 3 214.353 1.172 20 0 BDADHO CC[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000459770669 203362877 /nfs/dbraw/zinc/36/28/77/203362877.db2.gz HSYOTESDMTXUPN-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H]1OCC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000459770669 203362878 /nfs/dbraw/zinc/36/28/78/203362878.db2.gz HSYOTESDMTXUPN-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@H]1OCC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000459770669 203362882 /nfs/dbraw/zinc/36/28/82/203362882.db2.gz HSYOTESDMTXUPN-UPJWGTAASA-N 1 3 226.364 1.628 20 0 BDADHO CC(C)OCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252882215 370138250 /nfs/dbraw/zinc/13/82/50/370138250.db2.gz ZGCLQYZWMKLWDW-AVGNSLFASA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H](C)[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC000066124542 370552344 /nfs/dbraw/zinc/55/23/44/370552344.db2.gz HUVWVVKSJMJMPW-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC000066124542 370552346 /nfs/dbraw/zinc/55/23/46/370552346.db2.gz HUVWVVKSJMJMPW-LBPRGKRZSA-N 1 3 243.395 1.173 20 0 BDADHO CCn1cc(CCN2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775222 370521653 /nfs/dbraw/zinc/52/16/53/370521653.db2.gz IVMVTYVVQCDKJE-WCQYABFASA-N 1 3 236.363 1.115 20 0 BDADHO CCn1nccc1CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000621775369 370522815 /nfs/dbraw/zinc/52/28/15/370522815.db2.gz NBQWYIULHKTSBV-NEPJUHHUSA-N 1 3 236.363 1.115 20 0 BDADHO CCn1nccc1CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000621776653 370525989 /nfs/dbraw/zinc/52/59/89/370525989.db2.gz RIBAZPSDUDWXTQ-CHWSQXEVSA-N 1 3 236.363 1.305 20 0 BDADHO COCC[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121315 371321495 /nfs/dbraw/zinc/32/14/95/371321495.db2.gz SZQOJTOIUDOCBT-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822907 372600157 /nfs/dbraw/zinc/60/01/57/372600157.db2.gz RPWTXTPAHAUKMR-NNYUYHANSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822907 372600163 /nfs/dbraw/zinc/60/01/63/372600163.db2.gz RPWTXTPAHAUKMR-NNYUYHANSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000631827981 372609184 /nfs/dbraw/zinc/60/91/84/372609184.db2.gz BHTGVOBNCRJMJN-IKOXMDCHSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000631827981 372609189 /nfs/dbraw/zinc/60/91/89/372609189.db2.gz BHTGVOBNCRJMJN-IKOXMDCHSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000631828450 372609708 /nfs/dbraw/zinc/60/97/08/372609708.db2.gz PGVHPCOJPVSGSX-MROQNXINSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000631828450 372609712 /nfs/dbraw/zinc/60/97/12/372609712.db2.gz PGVHPCOJPVSGSX-MROQNXINSA-N 1 3 226.364 1.328 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CCCCO1 ZINC000631828899 372611189 /nfs/dbraw/zinc/61/11/89/372611189.db2.gz BAQQVRLVRWATRJ-QJPTWQEYSA-N 1 3 212.337 1.415 20 0 BDADHO CCOCC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631832060 372616113 /nfs/dbraw/zinc/61/61/13/372616113.db2.gz XGHXOWFGCMLSJI-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO CCOCC[N@H+]1CCCCC[C@H](N)C1 ZINC000631832060 372616119 /nfs/dbraw/zinc/61/61/19/372616119.db2.gz XGHXOWFGCMLSJI-NSHDSACASA-N 1 3 200.326 1.226 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCCC[C@H]1CCN ZINC000631826397 372606069 /nfs/dbraw/zinc/60/60/69/372606069.db2.gz MMQQCWBYTCLTFW-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCCC[C@H]1CCN ZINC000631826397 372606075 /nfs/dbraw/zinc/60/60/75/372606075.db2.gz MMQQCWBYTCLTFW-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@@H](C)CN1CCC([NH2+]CCO)CC1 ZINC000631861796 372663599 /nfs/dbraw/zinc/66/35/99/372663599.db2.gz APJYXLUTJJHRBU-LLVKDONJSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H]1OCC[C@@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867432 372669291 /nfs/dbraw/zinc/66/92/91/372669291.db2.gz UPYRRWQBHOCOOB-LPWJVIDDSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1OCC[C@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867433 372669345 /nfs/dbraw/zinc/66/93/45/372669345.db2.gz UPYRRWQBHOCOOB-RVMXOQNASA-N 1 3 224.348 1.143 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631887269 372682454 /nfs/dbraw/zinc/68/24/54/372682454.db2.gz PQJOQTVNIPVNKE-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@H]2CNCC[C@H]21 ZINC000631887269 372682461 /nfs/dbraw/zinc/68/24/61/372682461.db2.gz PQJOQTVNIPVNKE-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016638 373106442 /nfs/dbraw/zinc/10/64/42/373106442.db2.gz MTIIVKRCWLHPJS-BETUJISGSA-N 1 3 240.391 1.828 20 0 BDADHO OCCCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000339414404 183044124 /nfs/dbraw/zinc/04/41/24/183044124.db2.gz XGOUVLYAKINDQB-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO OCCCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000339414404 183044126 /nfs/dbraw/zinc/04/41/26/183044126.db2.gz XGOUVLYAKINDQB-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509715 183137200 /nfs/dbraw/zinc/13/72/00/183137200.db2.gz LGPJJDNBJVIJSP-BFHYXJOUSA-N 1 3 238.375 1.221 20 0 BDADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000353509715 183137201 /nfs/dbraw/zinc/13/72/01/183137201.db2.gz LGPJJDNBJVIJSP-BFHYXJOUSA-N 1 3 238.375 1.221 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H](O)CC)C1 ZINC000304707758 169077358 /nfs/dbraw/zinc/07/73/58/169077358.db2.gz LCOZQQKEEJOERJ-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H](O)CC)C1 ZINC000304707758 169077359 /nfs/dbraw/zinc/07/73/59/169077359.db2.gz LCOZQQKEEJOERJ-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO O[C@H](CN[C@@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533448 183225544 /nfs/dbraw/zinc/22/55/44/183225544.db2.gz WJJCQCQQUROCLI-CHWSQXEVSA-N 1 3 238.375 1.365 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000361967423 169122207 /nfs/dbraw/zinc/12/22/07/169122207.db2.gz UCSIHKNYUFXXSP-ZIAGYGMSSA-N 1 3 241.423 1.648 20 0 BDADHO CCCN(CC[NH+](C)C)C(=O)CN(CC)CC ZINC000337526156 169155170 /nfs/dbraw/zinc/15/51/70/169155170.db2.gz PQDUSBLUXAHJEG-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@H](O)CC)CC1 ZINC000304434876 169187397 /nfs/dbraw/zinc/18/73/97/169187397.db2.gz RMMHPTGNZUTGQT-CYBMUJFWSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[NH+]1CCC(N[C@H]2CCO[C@@H]2C)CC1 ZINC000119911466 169189998 /nfs/dbraw/zinc/18/99/98/169189998.db2.gz LVSWQVNTDGQRBU-YPMHNXCESA-N 1 3 226.364 1.628 20 0 BDADHO CCCN1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000370783466 169192003 /nfs/dbraw/zinc/19/20/03/169192003.db2.gz YPUTXTKSJQEDOM-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO c1c[nH]c([C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000336495843 183328228 /nfs/dbraw/zinc/32/82/28/183328228.db2.gz NXTMTGNPGYLGME-STQMWFEESA-N 1 3 248.374 1.589 20 0 BDADHO c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)on1 ZINC000334981620 183341720 /nfs/dbraw/zinc/34/17/20/183341720.db2.gz UQYYYRXMIHIXJH-VXGBXAGGSA-N 1 3 235.331 1.496 20 0 BDADHO c1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccn1 ZINC000037408311 183352090 /nfs/dbraw/zinc/35/20/90/183352090.db2.gz FBHXAAACZXXVIW-CYBMUJFWSA-N 1 3 231.343 1.656 20 0 BDADHO c1ccc(CCCN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107580112 183391541 /nfs/dbraw/zinc/39/15/41/183391541.db2.gz BSHIDQXRMQJSCA-GJZGRUSLSA-N 1 3 230.355 1.770 20 0 BDADHO CCC[C@@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036873365 169386728 /nfs/dbraw/zinc/38/67/28/169386728.db2.gz JFJZZVVERVSXEW-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[C@@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041719 169388584 /nfs/dbraw/zinc/38/85/84/169388584.db2.gz UIVCKVFQNJZRSM-GFCCVEGCSA-N 1 3 241.379 1.103 20 0 BDADHO c1ncc(CNCC[C@H]2CCC[NH2+]C2)s1 ZINC000131614410 383826435 /nfs/dbraw/zinc/82/64/35/383826435.db2.gz RIBWPLMXVNDYRN-SNVBAGLBSA-N 1 3 225.361 1.622 20 0 BDADHO CC(C)[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042487 383930803 /nfs/dbraw/zinc/93/08/03/383930803.db2.gz VEXFKOCTRKNKJU-CYBMUJFWSA-N 1 3 249.358 1.670 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000070914886 383960469 /nfs/dbraw/zinc/96/04/69/383960469.db2.gz GBODTJXZJSGCKT-VIFPVBQESA-N 1 3 224.270 2.000 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000401787175 384005166 /nfs/dbraw/zinc/00/51/66/384005166.db2.gz LMTMTZNFLNGVDF-NWDGAFQWSA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CCCNC2CC2)C1 ZINC000643545081 384008579 /nfs/dbraw/zinc/00/85/79/384008579.db2.gz LUIYXKVVOJRZCN-QWHCGFSZSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@H](CC(C)C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000642680558 384042757 /nfs/dbraw/zinc/04/27/57/384042757.db2.gz ZCHRIMQSPJKDJY-RWMBFGLXSA-N 1 3 226.364 1.199 20 0 BDADHO CO[C@H](CC(C)C)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642680556 384041270 /nfs/dbraw/zinc/04/12/70/384041270.db2.gz ZCHRIMQSPJKDJY-FRRDWIJNSA-N 1 3 226.364 1.199 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000223913221 384067334 /nfs/dbraw/zinc/06/73/34/384067334.db2.gz OYWQAZLMGWDNNL-FVCCEPFGSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305287237 384164663 /nfs/dbraw/zinc/16/46/63/384164663.db2.gz DBNPCGQTBCZYEG-XDQVBPFNSA-N 1 3 240.391 1.610 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305287237 384164669 /nfs/dbraw/zinc/16/46/69/384164669.db2.gz DBNPCGQTBCZYEG-XDQVBPFNSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](CCO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000132551976 384236031 /nfs/dbraw/zinc/23/60/31/384236031.db2.gz QTMYVJQQPASACE-LBPRGKRZSA-N 1 3 249.358 1.411 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000082581722 384243350 /nfs/dbraw/zinc/24/33/50/384243350.db2.gz XLMCKLCVFNAMPS-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000082581722 384243356 /nfs/dbraw/zinc/24/33/56/384243356.db2.gz XLMCKLCVFNAMPS-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCCOC2)C1 ZINC000082581722 384243363 /nfs/dbraw/zinc/24/33/63/384243363.db2.gz XLMCKLCVFNAMPS-RYUDHWBXSA-N 1 3 212.337 1.084 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000069626416 384247094 /nfs/dbraw/zinc/24/70/94/384247094.db2.gz ROKSDDMYNNSBBX-LBPRGKRZSA-N 1 3 219.332 1.642 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000082645457 384253096 /nfs/dbraw/zinc/25/30/96/384253096.db2.gz KNYZEJJRHDJDDL-SDDRHHMPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000082645457 384253100 /nfs/dbraw/zinc/25/31/00/384253100.db2.gz KNYZEJJRHDJDDL-SDDRHHMPSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)CN(C)C ZINC000168747072 384307587 /nfs/dbraw/zinc/30/75/87/384307587.db2.gz UVAHBPOQZYWAKE-MELADBBJSA-N 1 3 241.423 1.837 20 0 BDADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)CN(C)C ZINC000168747157 384307917 /nfs/dbraw/zinc/30/79/17/384307917.db2.gz UVAHBPOQZYWAKE-HZSPNIEDSA-N 1 3 241.423 1.837 20 0 BDADHO C[C@H]1C[C@@H](NCCC[NH+]2CCCCC2)CO1 ZINC000401914280 384281219 /nfs/dbraw/zinc/28/12/19/384281219.db2.gz ZNEKANLIRNCGKF-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO Cc1ccc(CN2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000228858644 384346726 /nfs/dbraw/zinc/34/67/26/384346726.db2.gz MHGBVQWQCGMVQN-LBPRGKRZSA-N 1 3 233.359 1.949 20 0 BDADHO C[C@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)CO1 ZINC000401973426 384359204 /nfs/dbraw/zinc/35/92/04/384359204.db2.gz PUGDZXPGJXFDDG-UONOGXRCSA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@H](NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000397244987 384417640 /nfs/dbraw/zinc/41/76/40/384417640.db2.gz NHDQZMPLZGMIJT-PWSUYJOCSA-N 1 3 212.337 1.001 20 0 BDADHO COC[C@H]([NH2+]C[C@@H]1CCCNC1)C1CC1 ZINC000397244987 384417642 /nfs/dbraw/zinc/41/76/42/384417642.db2.gz NHDQZMPLZGMIJT-PWSUYJOCSA-N 1 3 212.337 1.001 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000096033400 384425280 /nfs/dbraw/zinc/42/52/80/384425280.db2.gz SXUCXWPDDGONGB-NEPJUHHUSA-N 1 3 214.353 1.485 20 0 BDADHO CC(=O)CC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150842413 384512629 /nfs/dbraw/zinc/51/26/29/384512629.db2.gz VMLROBZCUPYJRU-CYBMUJFWSA-N 1 3 224.348 1.383 20 0 BDADHO CC(=O)CC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150842413 384512632 /nfs/dbraw/zinc/51/26/32/384512632.db2.gz VMLROBZCUPYJRU-CYBMUJFWSA-N 1 3 224.348 1.383 20 0 BDADHO CCC[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000236855196 384659353 /nfs/dbraw/zinc/65/93/53/384659353.db2.gz AXOMRLMSFKEHPZ-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000236855196 384659362 /nfs/dbraw/zinc/65/93/62/384659362.db2.gz AXOMRLMSFKEHPZ-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1nnc(CCNC2CC[NH+](C)CC2)s1 ZINC000309663946 384705323 /nfs/dbraw/zinc/70/53/23/384705323.db2.gz SMTSPYXDRPYTOS-UHFFFAOYSA-N 1 3 240.376 1.073 20 0 BDADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](C)N)CC(C)C ZINC000164408228 384733286 /nfs/dbraw/zinc/73/32/86/384733286.db2.gz AEMXVPOJXPEKDM-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCCC12CCN(C)CC2 ZINC000530548356 384741124 /nfs/dbraw/zinc/74/11/24/384741124.db2.gz HSXCFKLIBGCONM-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H](C)C[N@H+]1CCCC12CCN(C)CC2 ZINC000530548356 384741129 /nfs/dbraw/zinc/74/11/29/384741129.db2.gz HSXCFKLIBGCONM-CYBMUJFWSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1nc2ccccn2c1CN[C@H](C)C[C@H](C)[NH3+] ZINC000518185875 384779729 /nfs/dbraw/zinc/77/97/29/384779729.db2.gz URQLVXULYGDVHE-WDEREUQCSA-N 1 3 246.358 1.858 20 0 BDADHO FC1CCC(C[NH2+]C2CCNCC2)CC1 ZINC000647553161 384767289 /nfs/dbraw/zinc/76/72/89/384767289.db2.gz FOHDQQCSQZCHIY-UHFFFAOYSA-N 1 3 214.328 1.856 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCc1ccccc1 ZINC000084217384 384850434 /nfs/dbraw/zinc/85/04/34/384850434.db2.gz YOKGSJPKNLAOBQ-OLZOCXBDSA-N 1 3 204.317 1.904 20 0 BDADHO CSCCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061949 384858040 /nfs/dbraw/zinc/85/80/40/384858040.db2.gz VBHXDZSOMXARSU-QWRGUYRKSA-N 1 3 216.394 1.764 20 0 BDADHO CSCCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061949 384858047 /nfs/dbraw/zinc/85/80/47/384858047.db2.gz VBHXDZSOMXARSU-QWRGUYRKSA-N 1 3 216.394 1.764 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000398240929 384861393 /nfs/dbraw/zinc/86/13/93/384861393.db2.gz WXGCJTBLOKTHRB-UWVGGRQHSA-N 1 3 236.306 1.723 20 0 BDADHO Cn1ccc(C[NH2+]CCCN2CCCC2)c1 ZINC000085590157 384956829 /nfs/dbraw/zinc/95/68/29/384956829.db2.gz YUOIVHAPPQMHFH-UHFFFAOYSA-N 1 3 221.348 1.601 20 0 BDADHO CC(C)[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000366598782 384923919 /nfs/dbraw/zinc/92/39/19/384923919.db2.gz SVYPSCFLXWIDKJ-PIGZVRMJSA-N 1 3 240.391 1.560 20 0 BDADHO CC(C)[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000366598782 384923925 /nfs/dbraw/zinc/92/39/25/384923925.db2.gz SVYPSCFLXWIDKJ-PIGZVRMJSA-N 1 3 240.391 1.560 20 0 BDADHO CCN(CC)Cc1ccccc1CNC(N)=[NH2+] ZINC000057887333 384969507 /nfs/dbraw/zinc/96/95/07/384969507.db2.gz MIMSDAPCNZVVDK-UHFFFAOYSA-N 1 3 234.347 1.511 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)CN1CCCC1 ZINC000310341335 384993111 /nfs/dbraw/zinc/99/31/11/384993111.db2.gz MTOQQUSCADXTHP-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000310341335 384993119 /nfs/dbraw/zinc/99/31/19/384993119.db2.gz MTOQQUSCADXTHP-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CN(CC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226467363 385015412 /nfs/dbraw/zinc/01/54/12/385015412.db2.gz YBDYWKYJMNSYKY-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000226467363 385015419 /nfs/dbraw/zinc/01/54/19/385015419.db2.gz YBDYWKYJMNSYKY-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000226467363 385015427 /nfs/dbraw/zinc/01/54/27/385015427.db2.gz YBDYWKYJMNSYKY-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO CN(CC[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226467368 385016990 /nfs/dbraw/zinc/01/69/90/385016990.db2.gz YBDYWKYJMNSYKY-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@H+](CC[C@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000226467368 385016997 /nfs/dbraw/zinc/01/69/97/385016997.db2.gz YBDYWKYJMNSYKY-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO C[N@@H+](CC[C@H]1CCCO1)[C@@H]1CCCNCC1 ZINC000226467368 385017003 /nfs/dbraw/zinc/01/70/03/385017003.db2.gz YBDYWKYJMNSYKY-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCSC)C1 ZINC000177839565 385126433 /nfs/dbraw/zinc/12/64/33/385126433.db2.gz YJWQPNOSRWDJHO-NSHDSACASA-N 1 3 216.394 1.623 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCSC)C1 ZINC000177839565 385126440 /nfs/dbraw/zinc/12/64/40/385126440.db2.gz YJWQPNOSRWDJHO-NSHDSACASA-N 1 3 216.394 1.623 20 0 BDADHO CCCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880377 385132736 /nfs/dbraw/zinc/13/27/36/385132736.db2.gz CDGXJXWIIONBDH-UHFFFAOYSA-N 1 3 243.395 1.128 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422715474 385193155 /nfs/dbraw/zinc/19/31/55/385193155.db2.gz MHVAQNMIELSCDK-IHRRRGAJSA-N 1 3 241.423 1.966 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000644784225 385170337 /nfs/dbraw/zinc/17/03/37/385170337.db2.gz WKKJNCGJSSBYPI-STQMWFEESA-N 1 3 224.348 1.193 20 0 BDADHO C[N@H+]1CC[C@]2(CCN([C@H]3CCCOC3)C2)C1 ZINC000644784225 385170343 /nfs/dbraw/zinc/17/03/43/385170343.db2.gz WKKJNCGJSSBYPI-STQMWFEESA-N 1 3 224.348 1.193 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000647064694 385210324 /nfs/dbraw/zinc/21/03/24/385210324.db2.gz PVQKFNFGLDTZCN-AAEUAGOBSA-N 1 3 249.358 1.320 20 0 BDADHO C[C@@H](CCC[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000647064696 385211117 /nfs/dbraw/zinc/21/11/17/385211117.db2.gz PVQKFNFGLDTZCN-WCQYABFASA-N 1 3 249.358 1.320 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccn(C)c1 ZINC000252711548 385211359 /nfs/dbraw/zinc/21/13/59/385211359.db2.gz JWHMCUBBZNEYLN-DGCLKSJQSA-N 1 3 221.348 1.455 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccn(C)c1 ZINC000252711548 385211366 /nfs/dbraw/zinc/21/13/66/385211366.db2.gz JWHMCUBBZNEYLN-DGCLKSJQSA-N 1 3 221.348 1.455 20 0 BDADHO C1C[NH2+]C[C@@H](NC2CCSCC2)C1 ZINC000220686783 385264377 /nfs/dbraw/zinc/26/43/77/385264377.db2.gz JQNPTYCNBZQSJK-JTQLQIEISA-N 1 3 200.351 1.224 20 0 BDADHO COC[C@@H](NC[C@@H](C)C[NH+](C)C)C1CC1 ZINC000308903003 385274380 /nfs/dbraw/zinc/27/43/80/385274380.db2.gz KQPVYRUOAKCURK-ZYHUDNBSSA-N 1 3 214.353 1.199 20 0 BDADHO C[C@@H](CN)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000308991706 385336086 /nfs/dbraw/zinc/33/60/86/385336086.db2.gz OCZJKDAUXUDCDH-NWDGAFQWSA-N 1 3 206.333 1.975 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H]1CCc2ccccc21 ZINC000308992684 385336307 /nfs/dbraw/zinc/33/63/07/385336307.db2.gz OIIAHWAVYQHIOH-ZWNOBZJWSA-N 1 3 204.317 1.858 20 0 BDADHO CO[C@H](C)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000182193826 385434060 /nfs/dbraw/zinc/43/40/60/385434060.db2.gz MGQNXKAREBZZKD-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO CO[C@H](C)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000182193826 385434063 /nfs/dbraw/zinc/43/40/63/385434063.db2.gz MGQNXKAREBZZKD-OLZOCXBDSA-N 1 3 228.380 1.828 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@H]2NCC2(C)C)c1 ZINC000644097366 385462157 /nfs/dbraw/zinc/46/21/57/385462157.db2.gz GKCYKUQRYILTSQ-GFCCVEGCSA-N 1 3 247.342 1.343 20 0 BDADHO COC1(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000319171258 385553375 /nfs/dbraw/zinc/55/33/75/385553375.db2.gz LVVZTFISURXVSW-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO COC1(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000319171261 385553637 /nfs/dbraw/zinc/55/36/37/385553637.db2.gz LVVZTFISURXVSW-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO COCc1cccc(CNC[C@@H](C)C[NH3+])c1 ZINC000336649428 385598512 /nfs/dbraw/zinc/59/85/12/385598512.db2.gz DEXPAWZRRHUJMH-NSHDSACASA-N 1 3 222.332 1.517 20 0 BDADHO CC[C@H](O)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000309491005 385618450 /nfs/dbraw/zinc/61/84/50/385618450.db2.gz XDUYGMMSNYDTNQ-LBPRGKRZSA-N 1 3 228.380 1.610 20 0 BDADHO CCOC[C@H](C)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414848329 385612127 /nfs/dbraw/zinc/61/21/27/385612127.db2.gz GNRNRJKOQLVXAH-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414848329 385612133 /nfs/dbraw/zinc/61/21/33/385612133.db2.gz GNRNRJKOQLVXAH-TUAOUCFPSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CCC1 ZINC000309586675 385711939 /nfs/dbraw/zinc/71/19/39/385711939.db2.gz RYZJFKFGZFAIHL-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](NCCO)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185763888 385733773 /nfs/dbraw/zinc/73/37/73/385733773.db2.gz CEPUASABVJAJSO-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](NCCO)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763888 385733777 /nfs/dbraw/zinc/73/37/77/385733777.db2.gz CEPUASABVJAJSO-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H]([NH2+]CCO)[C@H]1CCCN(C2CCC2)C1 ZINC000185763888 385733781 /nfs/dbraw/zinc/73/37/81/385733781.db2.gz CEPUASABVJAJSO-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129222874 385739113 /nfs/dbraw/zinc/73/91/13/385739113.db2.gz SAMVTZULLWRYJN-CHWSQXEVSA-N 1 3 240.391 1.608 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CCN1 ZINC000414945147 385800843 /nfs/dbraw/zinc/80/08/43/385800843.db2.gz HXTWCVGDDXTAQZ-OUAUKWLOSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CCCSC2)CC[NH2+]1 ZINC000414945147 385800850 /nfs/dbraw/zinc/80/08/50/385800850.db2.gz HXTWCVGDDXTAQZ-OUAUKWLOSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCSC2)CCN1 ZINC000414945148 385801013 /nfs/dbraw/zinc/80/10/13/385801013.db2.gz HXTWCVGDDXTAQZ-VWYCJHECSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCCSC2)CC[NH2+]1 ZINC000414945148 385801017 /nfs/dbraw/zinc/80/10/17/385801017.db2.gz HXTWCVGDDXTAQZ-VWYCJHECSA-N 1 3 214.378 1.612 20 0 BDADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)C(C)C ZINC000336740424 385802049 /nfs/dbraw/zinc/80/20/49/385802049.db2.gz QGZHIJKSPBIZIT-LBPRGKRZSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccn(C)n1 ZINC000647799764 385802603 /nfs/dbraw/zinc/80/26/03/385802603.db2.gz QDFCBAAQPXBKOB-ZDEQEGDKSA-N 1 3 248.374 1.459 20 0 BDADHO COC[C@]1(CNC2CCC(C)CC2)CCC[NH2+]1 ZINC000414948011 385805955 /nfs/dbraw/zinc/80/59/55/385805955.db2.gz WJFJABANWXLLRQ-JXQTWKCFSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000414946659 385809218 /nfs/dbraw/zinc/80/92/18/385809218.db2.gz UQBUCIXKCRSAKJ-RWMBFGLXSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000414946659 385809226 /nfs/dbraw/zinc/80/92/26/385809226.db2.gz UQBUCIXKCRSAKJ-RWMBFGLXSA-N 1 3 228.380 1.635 20 0 BDADHO CN(CCN1CCCCC1)CC[NH+]1CCCC1 ZINC000162500045 385821173 /nfs/dbraw/zinc/82/11/73/385821173.db2.gz ORRRUFMDQNZDHY-UHFFFAOYSA-N 1 3 239.407 1.500 20 0 BDADHO C[NH2+][C@H](C)CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000261681365 385826872 /nfs/dbraw/zinc/82/68/72/385826872.db2.gz HOGBHBHQTYRSJS-NQBHXWOUSA-N 1 3 249.358 1.047 20 0 BDADHO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)[C@@H]1CCCCN1 ZINC000647804202 385841072 /nfs/dbraw/zinc/84/10/72/385841072.db2.gz LITXSXRJVJBONK-KXNHARMFSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc2c1NCC2 ZINC000414870657 385848984 /nfs/dbraw/zinc/84/89/84/385848984.db2.gz CCCCUOAITXUDEI-SNVBAGLBSA-N 1 3 219.332 1.339 20 0 BDADHO C[C@@H](C(=O)NC(C)(C)C[NH3+])[C@H](N)c1ccccc1 ZINC000262499622 385853076 /nfs/dbraw/zinc/85/30/76/385853076.db2.gz GECCTSBMHBXJJA-PWSUYJOCSA-N 1 3 249.358 1.176 20 0 BDADHO COC[C@H](CC(C)C)NCC1([NH3+])CCC1 ZINC000414871550 385854026 /nfs/dbraw/zinc/85/40/26/385854026.db2.gz DCEAEYWWKDDTHU-NSHDSACASA-N 1 3 214.353 1.519 20 0 BDADHO COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000336656871 385791832 /nfs/dbraw/zinc/79/18/32/385791832.db2.gz ANCOQNSZEHKFJB-MNOVXSKESA-N 1 3 216.369 1.587 20 0 BDADHO Cc1ccc(CCC[NH2+][C@@H]2CCNC[C@H]2C)cn1 ZINC000414946346 385797705 /nfs/dbraw/zinc/79/77/05/385797705.db2.gz TVKDOWBRXDIPJN-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1C[C@H]1CCCOC1 ZINC000250800508 385928589 /nfs/dbraw/zinc/92/85/89/385928589.db2.gz BIPLKOCMJCGGSZ-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1C[C@H]1CCCOC1 ZINC000250800508 385928595 /nfs/dbraw/zinc/92/85/95/385928595.db2.gz BIPLKOCMJCGGSZ-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO C[N@H+](C[C@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000226447317 385913029 /nfs/dbraw/zinc/91/30/29/385913029.db2.gz AULVOYLFWMYDLB-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO C[N@@H+](C[C@H]1CCSC1)[C@@H]1CCCNCC1 ZINC000226447317 385913035 /nfs/dbraw/zinc/91/30/35/385913035.db2.gz AULVOYLFWMYDLB-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)CN)CC2 ZINC000414873681 385877712 /nfs/dbraw/zinc/87/77/12/385877712.db2.gz HSPSCQZOVMTXCT-SMDDNHRTSA-N 1 3 248.370 1.737 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000295151805 385978366 /nfs/dbraw/zinc/97/83/66/385978366.db2.gz CSLHTGACHDYOFC-KGYLQXTDSA-N 1 3 249.358 1.176 20 0 BDADHO CCN(CC)CCC[N@H+](C)C1CCC(O)CC1 ZINC000338371383 385979840 /nfs/dbraw/zinc/97/98/40/385979840.db2.gz HNAFDSNRZDCLKW-UHFFFAOYSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C1CCC(O)CC1 ZINC000338371383 385979845 /nfs/dbraw/zinc/97/98/45/385979845.db2.gz HNAFDSNRZDCLKW-UHFFFAOYSA-N 1 3 242.407 1.954 20 0 BDADHO CC[NH+](CC)CCCN(C)C1CCC(O)CC1 ZINC000338371383 385979849 /nfs/dbraw/zinc/97/98/49/385979849.db2.gz HNAFDSNRZDCLKW-UHFFFAOYSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(C)CCOCC1 ZINC000335039007 385931904 /nfs/dbraw/zinc/93/19/04/385931904.db2.gz KCHMVBHZAPESJR-CHWSQXEVSA-N 1 3 240.391 1.781 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NC1Cc2ccccc2C1 ZINC000335042533 385936542 /nfs/dbraw/zinc/93/65/42/385936542.db2.gz SOYBJNUSFODWKF-KBPBESRZSA-N 1 3 216.328 1.623 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000335046039 385941689 /nfs/dbraw/zinc/94/16/89/385941689.db2.gz ZAQOGDXGMXGGFY-CHWSQXEVSA-N 1 3 240.391 1.659 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251240674 385960060 /nfs/dbraw/zinc/96/00/60/385960060.db2.gz ITXSGTHRSHGYMT-SYQHCUMBSA-N 1 3 240.391 1.658 20 0 BDADHO CCOC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336770756 386007599 /nfs/dbraw/zinc/00/75/99/386007599.db2.gz VWMKRYRGQGHEGA-NSHDSACASA-N 1 3 212.337 1.263 20 0 BDADHO CCN1CC[C@H](C[NH2+]C2CC(OC(C)C)C2)C1 ZINC000189520996 386016138 /nfs/dbraw/zinc/01/61/38/386016138.db2.gz YCTFBGXABFTWKW-IYXRBSQSSA-N 1 3 240.391 1.874 20 0 BDADHO CCCC[C@@H](COC)[NH2+]C[C@H](C)CN ZINC000414882814 386021555 /nfs/dbraw/zinc/02/15/55/386021555.db2.gz UORRVYCWGRXHIY-MNOVXSKESA-N 1 3 202.342 1.376 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@H](C)CN)CCO1 ZINC000414884805 386049745 /nfs/dbraw/zinc/04/97/45/386049745.db2.gz WJCNVZZFWVJLJZ-GRYCIOLGSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@@H](CN1CCCCC1)N[C@H]1CCC[NH2+]CC1 ZINC000129106086 386051041 /nfs/dbraw/zinc/05/10/41/386051041.db2.gz ZYRFIKIQNONVFH-KBPBESRZSA-N 1 3 239.407 1.593 20 0 BDADHO C[NH2+][C@@H](C)CNC[C@@H](C)CC1CCOCC1 ZINC000414980238 386053096 /nfs/dbraw/zinc/05/30/96/386053096.db2.gz WBUIVELZWUETOZ-RYUDHWBXSA-N 1 3 228.380 1.637 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336753532 386064129 /nfs/dbraw/zinc/06/41/29/386064129.db2.gz GXPPLVZSPYUQFS-QWRGUYRKSA-N 1 3 212.337 1.261 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC2)CCO1 ZINC000414892762 386153886 /nfs/dbraw/zinc/15/38/86/386153886.db2.gz YIGZYLQZMDPUTK-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC2)CCO1 ZINC000414892761 386154220 /nfs/dbraw/zinc/15/42/20/386154220.db2.gz YIGZYLQZMDPUTK-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CCCO[C@H]1CCC[N@H+](CCCN)CC1 ZINC000414693669 386190224 /nfs/dbraw/zinc/19/02/24/386190224.db2.gz MCBUPMFDMCSLMF-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCCO[C@H]1CCC[N@@H+](CCCN)CC1 ZINC000414693669 386190231 /nfs/dbraw/zinc/19/02/31/386190231.db2.gz MCBUPMFDMCSLMF-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO CCCO[C@H]1CCCN(CCC[NH3+])CC1 ZINC000414693669 386190238 /nfs/dbraw/zinc/19/02/38/386190238.db2.gz MCBUPMFDMCSLMF-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO C[C@@H]1C[C@@H](CN2CCOC[C@@H]2C2CC2)CC[NH2+]1 ZINC000414700962 386201757 /nfs/dbraw/zinc/20/17/57/386201757.db2.gz KJOHRLCGKPNLHE-MBNYWOFBSA-N 1 3 238.375 1.485 20 0 BDADHO CC[C@H](O)CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000339012225 386210320 /nfs/dbraw/zinc/21/03/20/386210320.db2.gz WGFRVINCPZRPLK-XQQFMLRXSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H](O)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000339012225 386210322 /nfs/dbraw/zinc/21/03/22/386210322.db2.gz WGFRVINCPZRPLK-XQQFMLRXSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000414712060 386227511 /nfs/dbraw/zinc/22/75/11/386227511.db2.gz SGDHCMDKGNSDGM-RWMBFGLXSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000414712060 386227514 /nfs/dbraw/zinc/22/75/14/386227514.db2.gz SGDHCMDKGNSDGM-RWMBFGLXSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)C[C@H](N)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000414712057 386228040 /nfs/dbraw/zinc/22/80/40/386228040.db2.gz SGDHCMDKGNSDGM-AGIUHOORSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000414712057 386228045 /nfs/dbraw/zinc/22/80/45/386228045.db2.gz SGDHCMDKGNSDGM-AGIUHOORSA-N 1 3 228.380 1.453 20 0 BDADHO [NH3+]CCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000414713014 386229691 /nfs/dbraw/zinc/22/96/91/386229691.db2.gz VCTCVEXDXCKAIY-CQSZACIVSA-N 1 3 233.359 1.912 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](C)O ZINC000339096373 386244531 /nfs/dbraw/zinc/24/45/31/386244531.db2.gz LXPSYKMCRJPCMG-MELADBBJSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)O ZINC000339096373 386244535 /nfs/dbraw/zinc/24/45/35/386244535.db2.gz LXPSYKMCRJPCMG-MELADBBJSA-N 1 3 242.407 1.857 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)[C@H](C)C2)CCO1 ZINC000347099028 386250698 /nfs/dbraw/zinc/25/06/98/386250698.db2.gz JCFPQSJWEUOIDT-SYQHCUMBSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)[C@H](C)C2)CCO1 ZINC000347099028 386250702 /nfs/dbraw/zinc/25/07/02/386250702.db2.gz JCFPQSJWEUOIDT-SYQHCUMBSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](CN2CC[C@H]([NH3+])[C@H](C)C2)CCO1 ZINC000347099028 386250704 /nfs/dbraw/zinc/25/07/04/386250704.db2.gz JCFPQSJWEUOIDT-SYQHCUMBSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H](O)CCCN1CC[C@H](C[NH+](C)C)C1 ZINC000336663626 386284708 /nfs/dbraw/zinc/28/47/08/386284708.db2.gz CPZMNYRPNJOMGG-VXGBXAGGSA-N 1 3 214.353 1.031 20 0 BDADHO CC(C)N(C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000236649216 386295641 /nfs/dbraw/zinc/29/56/41/386295641.db2.gz GINDQIBPYMWFRR-CYBMUJFWSA-N 1 3 249.358 1.143 20 0 BDADHO CO[C@H](C)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000336660653 386299325 /nfs/dbraw/zinc/29/93/25/386299325.db2.gz AWVBAMRFZSYMHN-GFCCVEGCSA-N 1 3 228.380 1.826 20 0 BDADHO COc1ccc(C[NH2+]C[C@H](N)C2CC2)cc1 ZINC000414900004 386265001 /nfs/dbraw/zinc/26/50/01/386265001.db2.gz VJCXATMKHCHSGY-ZDUSSCGKSA-N 1 3 220.316 1.522 20 0 BDADHO COC1CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000414900022 386265546 /nfs/dbraw/zinc/26/55/46/386265546.db2.gz CZACTXXIQAQAHZ-RUXDESIVSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)[C@H](C(C)C)C1 ZINC000414744855 386340508 /nfs/dbraw/zinc/34/05/08/386340508.db2.gz QHKWDNZGWMOVIU-KBPBESRZSA-N 1 3 241.423 1.632 20 0 BDADHO COC1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335267473 386349519 /nfs/dbraw/zinc/34/95/19/386349519.db2.gz HXCSUDFZHXJPMF-CPCZMJQVSA-N 1 3 226.364 1.676 20 0 BDADHO CN1CC=C(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000336775165 386384274 /nfs/dbraw/zinc/38/42/74/386384274.db2.gz YFPZWUQFDLTWEB-ZDUSSCGKSA-N 1 3 224.348 1.265 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677908 386330610 /nfs/dbraw/zinc/33/06/10/386330610.db2.gz ACYQAHLJMIWIHS-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000336677908 386330615 /nfs/dbraw/zinc/33/06/15/386330615.db2.gz ACYQAHLJMIWIHS-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)C(C)(C)C)C1 ZINC000336677908 386330618 /nfs/dbraw/zinc/33/06/18/386330618.db2.gz ACYQAHLJMIWIHS-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)C(C)(C)C)C1 ZINC000336677908 386330622 /nfs/dbraw/zinc/33/06/22/386330622.db2.gz ACYQAHLJMIWIHS-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO CN(C)Cc1cccc(CNC(=O)CCC[NH3+])c1 ZINC000237038219 386339176 /nfs/dbraw/zinc/33/91/76/386339176.db2.gz OKTFDTAFIOEOPL-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)CC[NH3+] ZINC000237037799 386339399 /nfs/dbraw/zinc/33/93/99/386339399.db2.gz YLCQGOVOQXDVJS-UHFFFAOYSA-N 1 3 235.331 1.344 20 0 BDADHO CC[C@H]1C[N@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000336719043 386447925 /nfs/dbraw/zinc/44/79/25/386447925.db2.gz RWGOOEUFLKGKFV-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CC[C@H]1C[N@@H+](CC[C@H]2CCCN2C)CCCO1 ZINC000336719043 386447930 /nfs/dbraw/zinc/44/79/30/386447930.db2.gz RWGOOEUFLKGKFV-KGLIPLIRSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000414754620 386396635 /nfs/dbraw/zinc/39/66/35/386396635.db2.gz GILNVYLFAJETRO-AVGNSLFASA-N 1 3 227.396 1.384 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1NC[C@@H]1CC[NH2+]C1 ZINC000647992260 386451415 /nfs/dbraw/zinc/45/14/15/386451415.db2.gz YDSSBHHKPOZCPP-RDBSUJKOSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H](C)N(CCO)CCC[NH+](CC)CC ZINC000347450368 386410044 /nfs/dbraw/zinc/41/00/44/386410044.db2.gz GGQNLCRKSXIZDH-CYBMUJFWSA-N 1 3 230.396 1.811 20 0 BDADHO CC[C@@H](C)[N@H+](CCO)CCCN(CC)CC ZINC000347450368 386410052 /nfs/dbraw/zinc/41/00/52/386410052.db2.gz GGQNLCRKSXIZDH-CYBMUJFWSA-N 1 3 230.396 1.811 20 0 BDADHO CC[C@@H](C)[N@@H+](CCO)CCCN(CC)CC ZINC000347450368 386410053 /nfs/dbraw/zinc/41/00/53/386410053.db2.gz GGQNLCRKSXIZDH-CYBMUJFWSA-N 1 3 230.396 1.811 20 0 BDADHO C(C[C@H]1CCC[NH2+]1)N[C@H]1CCCSC1 ZINC000414912529 386475818 /nfs/dbraw/zinc/47/58/18/386475818.db2.gz YKKPPDVOWBYLIK-MNOVXSKESA-N 1 3 214.378 1.614 20 0 BDADHO COc1cccc2c1CC[C@H](N[C@@H](C)[C@@H](C)[NH3+])C2 ZINC000415011289 386488147 /nfs/dbraw/zinc/48/81/47/386488147.db2.gz HLQQOGSWCYKBFK-MDZLAQPJSA-N 1 3 248.370 1.878 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@@H](C)CCCC[NH3+])n1 ZINC000415017862 386502118 /nfs/dbraw/zinc/50/21/18/386502118.db2.gz SOQFSXQMKXDKST-JTQLQIEISA-N 1 3 237.347 1.703 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000415016983 386503724 /nfs/dbraw/zinc/50/37/24/386503724.db2.gz OUIOXFHLSWZENS-ZJUUUORDSA-N 1 3 232.331 1.399 20 0 BDADHO COc1cc(C[NH2+][C@H](C)[C@@H](C)N)ccc1C ZINC000415017695 386503824 /nfs/dbraw/zinc/50/38/24/386503824.db2.gz QKDDVASKIGNERX-GHMZBOCLSA-N 1 3 222.332 1.829 20 0 BDADHO Cn1ccnc1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415025491 386514089 /nfs/dbraw/zinc/51/40/89/386514089.db2.gz QGGOKNZMSDKYFG-HAQNSBGRSA-N 1 3 236.363 1.275 20 0 BDADHO C[C@H](C[NH2+]C[C@H]1CNCCCO1)c1ccccc1 ZINC000415032684 386518331 /nfs/dbraw/zinc/51/83/31/386518331.db2.gz GIPGUTFZZXELNJ-UKRRQHHQSA-N 1 3 248.370 1.758 20 0 BDADHO C[C@H](CNC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032684 386518334 /nfs/dbraw/zinc/51/83/34/386518334.db2.gz GIPGUTFZZXELNJ-UKRRQHHQSA-N 1 3 248.370 1.758 20 0 BDADHO C[C@@H](CN[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC1CCOCC1 ZINC000415032089 386519308 /nfs/dbraw/zinc/51/93/08/386519308.db2.gz HIWVUFDVNWLIKI-ZZVYKPCYSA-N 1 3 238.375 1.247 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCO ZINC000336780076 386523252 /nfs/dbraw/zinc/52/32/52/386523252.db2.gz QIUADXXNXZEOLU-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]CCO ZINC000336780076 386523257 /nfs/dbraw/zinc/52/32/57/386523257.db2.gz QIUADXXNXZEOLU-OLZOCXBDSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](C[NH2+]Cc1cccc2nccn21)CN(C)C ZINC000291781042 386582580 /nfs/dbraw/zinc/58/25/80/386582580.db2.gz UVTYTZRTYOCZBB-GFCCVEGCSA-N 1 3 246.358 1.622 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CNC[C@@H]1O)C1CCCCC1 ZINC000414800242 386585051 /nfs/dbraw/zinc/58/50/51/386585051.db2.gz ZBZFTSBEZOQMKF-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]C[C@@H]1O)C1CCCCC1 ZINC000414800242 386585062 /nfs/dbraw/zinc/58/50/62/386585062.db2.gz ZBZFTSBEZOQMKF-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO Cc1noc(C)c1CNC1CCC(C[NH3+])CC1 ZINC000415084607 386596113 /nfs/dbraw/zinc/59/61/13/386596113.db2.gz GXYFFPQMGCOIEO-UHFFFAOYSA-N 1 3 237.347 1.899 20 0 BDADHO C1CC1[C@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415056663 386538635 /nfs/dbraw/zinc/53/86/35/386538635.db2.gz GYIQKMBPLKJSFE-MEBFFEOJSA-N 1 3 220.360 1.763 20 0 BDADHO Cc1ncc(CNCCCC[NH+](C)C)cn1 ZINC000336780554 386545189 /nfs/dbraw/zinc/54/51/89/386545189.db2.gz RQJWWPPEZKWGOH-UHFFFAOYSA-N 1 3 222.336 1.216 20 0 BDADHO C[C@H](CC1CCCCC1)CN(C)C[C@@H](O)C[NH3+] ZINC000415064447 386546093 /nfs/dbraw/zinc/54/60/93/386546093.db2.gz CNXNYCCVZWHIKI-OCCSQVGLSA-N 1 3 242.407 1.844 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+]CCCNC2CC2)CCO1 ZINC000415066940 386548907 /nfs/dbraw/zinc/54/89/07/386548907.db2.gz JQTTUBCWHKSOQD-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@@H](C)C1)CN1CCCC1 ZINC000070361847 386550968 /nfs/dbraw/zinc/55/09/68/386550968.db2.gz IDQAXAAGGKVOFZ-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000063197956 386556925 /nfs/dbraw/zinc/55/69/25/386556925.db2.gz RKUPVEJQJWVVIM-AWEZNQCLSA-N 1 3 248.374 1.384 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000415073377 386558518 /nfs/dbraw/zinc/55/85/18/386558518.db2.gz AZQFVKZGOLJJHJ-VXGBXAGGSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@@H]1CCCC[C@H]1NC1CC[NH2+]CC1 ZINC000415073377 386558522 /nfs/dbraw/zinc/55/85/22/386558522.db2.gz AZQFVKZGOLJJHJ-VXGBXAGGSA-N 1 3 212.337 1.286 20 0 BDADHO CCN1CCCC[C@H]1CNC1CC[NH2+]CC1 ZINC000415073372 386561320 /nfs/dbraw/zinc/56/13/20/386561320.db2.gz AZKMKFMVMMGREZ-ZDUSSCGKSA-N 1 3 225.380 1.202 20 0 BDADHO c1ccc2c(c1)CC[C@@H](NC[C@H]1CC[NH2+]C1)CO2 ZINC000335496846 386620528 /nfs/dbraw/zinc/62/05/28/386620528.db2.gz QGBFXDBGARQMLW-GXTWGEPZSA-N 1 3 246.354 1.579 20 0 BDADHO COCC(C)(C)C[NH+]1CCC(N(C)C)CC1 ZINC000426047927 386623185 /nfs/dbraw/zinc/62/31/85/386623185.db2.gz SFBMSMAEQVIOII-UHFFFAOYSA-N 1 3 228.380 1.685 20 0 BDADHO C[C@]1(CNCCc2ccccn2)CC[NH2+]C1 ZINC000415104838 386624874 /nfs/dbraw/zinc/62/48/74/386624874.db2.gz LJEPUIOIJPEMKR-CYBMUJFWSA-N 1 3 219.332 1.213 20 0 BDADHO Nc1ncc(CN[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000414810663 386629778 /nfs/dbraw/zinc/62/97/78/386629778.db2.gz VNBLQAXBNVSJET-SCZZXKLOSA-N 1 3 240.376 1.163 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000415132758 386639789 /nfs/dbraw/zinc/63/97/89/386639789.db2.gz ULGPPXCKXJKGKV-NEPJUHHUSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000415132758 386639792 /nfs/dbraw/zinc/63/97/92/386639792.db2.gz ULGPPXCKXJKGKV-NEPJUHHUSA-N 1 3 228.380 1.576 20 0 BDADHO COCC(C)(C)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415132758 386639796 /nfs/dbraw/zinc/63/97/96/386639796.db2.gz ULGPPXCKXJKGKV-NEPJUHHUSA-N 1 3 228.380 1.576 20 0 BDADHO CC(C)[C@H]([NH3+])CN[C@H]1CCCSC1 ZINC000414803337 386599335 /nfs/dbraw/zinc/59/93/35/386599335.db2.gz WNDSTHSTOHGRJF-VHSXEESVSA-N 1 3 202.367 1.455 20 0 BDADHO CC(C)([NH3+])CNC1CCN(c2ccccc2)CC1 ZINC000414803201 386600798 /nfs/dbraw/zinc/60/07/98/386600798.db2.gz LXRXVIKOZOYXSN-UHFFFAOYSA-N 1 3 247.386 1.982 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNCC1(CCO)CCCC1 ZINC000415085712 386604576 /nfs/dbraw/zinc/60/45/76/386604576.db2.gz RACMYYYYYSBHTH-CYBMUJFWSA-N 1 3 242.407 1.892 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C(N)=O)cc1 ZINC000520230549 386608397 /nfs/dbraw/zinc/60/83/97/386608397.db2.gz TZFZJCAJQLLQSP-ZJUUUORDSA-N 1 3 235.331 1.001 20 0 BDADHO C([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)[C@@H]1CCCNC1 ZINC000415091791 386610495 /nfs/dbraw/zinc/61/04/95/386610495.db2.gz QWVXIGOCAXUFGH-AAVRWANBSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)OCCCNC[C@]1(C)CC[NH2+]C1 ZINC000415090965 386610941 /nfs/dbraw/zinc/61/09/41/386610941.db2.gz ZZYSACIIPXTKPK-LBPRGKRZSA-N 1 3 214.353 1.391 20 0 BDADHO Cc1cn[nH]c1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414807853 386612436 /nfs/dbraw/zinc/61/24/36/386612436.db2.gz RPNJBTPMTTYTEF-MNOVXSKESA-N 1 3 222.336 1.325 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)[C@@H]1CCCNC1 ZINC000415093232 386612623 /nfs/dbraw/zinc/61/26/23/386612623.db2.gz UUNIPZKUVZDQST-OUCADQQQSA-N 1 3 240.391 1.779 20 0 BDADHO C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1CCCNCC1 ZINC000415108450 386617751 /nfs/dbraw/zinc/61/77/51/386617751.db2.gz KTCYEEQFMIQBIT-UMSGYPCISA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414807441 386617881 /nfs/dbraw/zinc/61/78/81/386617881.db2.gz RHFFULAWFPKIKF-HBNTYKKESA-N 1 3 224.348 1.271 20 0 BDADHO C1C[C@@]2(CO1)CCC[N@@H+]([C@H]1CCCNCC1)C2 ZINC000335525689 386668935 /nfs/dbraw/zinc/66/89/35/386668935.db2.gz PSBLZUOIWQIBSG-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO C1C[C@@]2(CO1)CCC[N@H+]([C@H]1CCCNCC1)C2 ZINC000335525689 386668938 /nfs/dbraw/zinc/66/89/38/386668938.db2.gz PSBLZUOIWQIBSG-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCNC2)CCO1 ZINC000414831095 386709940 /nfs/dbraw/zinc/70/99/40/386709940.db2.gz PMYCZCLQALARBV-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000414827415 386695327 /nfs/dbraw/zinc/69/53/27/386695327.db2.gz BQEMZTYOYPLIMD-LBPRGKRZSA-N 1 3 249.358 1.575 20 0 BDADHO C[C@@H](N[C@@H]1CCCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000335480957 386706737 /nfs/dbraw/zinc/70/67/37/386706737.db2.gz OMWXPQCEMDPECQ-MEBBXXQBSA-N 1 3 245.370 1.844 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C1CNC1 ZINC000335480957 386706746 /nfs/dbraw/zinc/70/67/46/386706746.db2.gz OMWXPQCEMDPECQ-MEBBXXQBSA-N 1 3 245.370 1.844 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](NCC[NH2+]C)C[C@@H]1C ZINC000414832891 386721315 /nfs/dbraw/zinc/72/13/15/386721315.db2.gz RNRXQDSUONHDLU-SDDRHHMPSA-N 1 3 242.363 1.163 20 0 BDADHO CN(C)CCN(C)CCC[NH2+]CC1(C)CCC1 ZINC000623087853 386724982 /nfs/dbraw/zinc/72/49/82/386724982.db2.gz LKUVSRFWXMWMEA-UHFFFAOYSA-N 1 3 241.423 1.650 20 0 BDADHO CC[C@@H](COC)N[C@@H](C[NH3+])CC(C)C ZINC000414840098 386746712 /nfs/dbraw/zinc/74/67/12/386746712.db2.gz MGNHPSLKPZHIFU-WDEREUQCSA-N 1 3 202.342 1.374 20 0 BDADHO C[C@@H]1CC(O)C[C@@H](C)N1CC[C@@H]1CCC[N@@H+]1C ZINC000191163409 386771293 /nfs/dbraw/zinc/77/12/93/386771293.db2.gz BSCBFNJPFCSRII-UPJWGTAASA-N 1 3 240.391 1.704 20 0 BDADHO C[C@@H]1CC(O)C[C@@H](C)N1CC[C@@H]1CCC[N@H+]1C ZINC000191163409 386771299 /nfs/dbraw/zinc/77/12/99/386771299.db2.gz BSCBFNJPFCSRII-UPJWGTAASA-N 1 3 240.391 1.704 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000414844447 386772521 /nfs/dbraw/zinc/77/25/21/386772521.db2.gz RJZSDCMHHRVKKB-DOMZBBRYSA-N 1 3 232.371 1.989 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@H]1CCc2ccccc2C1 ZINC000414844447 386772526 /nfs/dbraw/zinc/77/25/26/386772526.db2.gz RJZSDCMHHRVKKB-DOMZBBRYSA-N 1 3 232.371 1.989 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000414844450 386773156 /nfs/dbraw/zinc/77/31/56/386773156.db2.gz RJZSDCMHHRVKKB-WFASDCNBSA-N 1 3 232.371 1.989 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H]1CCc2ccccc2C1 ZINC000414844450 386773163 /nfs/dbraw/zinc/77/31/63/386773163.db2.gz RJZSDCMHHRVKKB-WFASDCNBSA-N 1 3 232.371 1.989 20 0 BDADHO CC1([NH2+]Cc2cccs2)CCNCC1 ZINC000334844890 386892862 /nfs/dbraw/zinc/89/28/62/386892862.db2.gz WAFHKBITZOTUOA-UHFFFAOYSA-N 1 3 210.346 1.980 20 0 BDADHO COC[C@]1(CN[C@H]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000414940100 386877827 /nfs/dbraw/zinc/87/78/27/386877827.db2.gz HBCCTIZHRZNGMO-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331912454 386923825 /nfs/dbraw/zinc/92/38/25/386923825.db2.gz GBDFRPZGBARYSJ-AGIUHOORSA-N 1 3 228.380 1.787 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2Cc3ccccc3C2)CCN1 ZINC000334871104 386931327 /nfs/dbraw/zinc/93/13/27/386931327.db2.gz XVUIFEPVDMYONK-BXUZGUMPSA-N 1 3 230.355 1.884 20 0 BDADHO C[C@@H]1C[C@H](NC2Cc3ccccc3C2)CC[NH2+]1 ZINC000334871104 386931334 /nfs/dbraw/zinc/93/13/34/386931334.db2.gz XVUIFEPVDMYONK-BXUZGUMPSA-N 1 3 230.355 1.884 20 0 BDADHO CC1(C)CCC(NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000334873989 386934916 /nfs/dbraw/zinc/93/49/16/386934916.db2.gz MINWVGIUSHPSDK-CYBMUJFWSA-N 1 3 240.391 1.923 20 0 BDADHO CC[N@@H+]1CCC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417886012 386935894 /nfs/dbraw/zinc/93/58/94/386935894.db2.gz VKNLISGVEGAXJN-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CCC[C@H](CN[C@H]2COC(C)(C)C2)C1 ZINC000417886012 386935896 /nfs/dbraw/zinc/93/58/96/386935896.db2.gz VKNLISGVEGAXJN-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921892 386967536 /nfs/dbraw/zinc/96/75/36/386967536.db2.gz LZXZBFIUXMAMSE-FKJOKYEKSA-N 1 3 226.364 1.578 20 0 BDADHO CO[C@H](C)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921892 386967540 /nfs/dbraw/zinc/96/75/40/386967540.db2.gz LZXZBFIUXMAMSE-FKJOKYEKSA-N 1 3 226.364 1.578 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000358392796 386948334 /nfs/dbraw/zinc/94/83/34/386948334.db2.gz ZCLJHGQAJQIMSP-STQMWFEESA-N 1 3 248.374 1.400 20 0 BDADHO Cc1cnc(CCN[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc1 ZINC000358392796 386948339 /nfs/dbraw/zinc/94/83/39/386948339.db2.gz ZCLJHGQAJQIMSP-STQMWFEESA-N 1 3 248.374 1.400 20 0 BDADHO CC(C)[C@H](O)CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000332060579 386951940 /nfs/dbraw/zinc/95/19/40/386951940.db2.gz YQQRXKDDQFKMIE-GRYCIOLGSA-N 1 3 214.353 1.253 20 0 BDADHO Fc1ccc(CCNC[C@H]2CCC[NH2+]C2)cc1 ZINC000107787934 387036469 /nfs/dbraw/zinc/03/64/69/387036469.db2.gz HKPHHEHOZQGZHA-ZDUSSCGKSA-N 1 3 236.334 1.957 20 0 BDADHO Fc1ccc(CC[NH2+]C[C@H]2CCCNC2)cc1 ZINC000107787934 387036470 /nfs/dbraw/zinc/03/64/70/387036470.db2.gz HKPHHEHOZQGZHA-ZDUSSCGKSA-N 1 3 236.334 1.957 20 0 BDADHO COCC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336764473 387050922 /nfs/dbraw/zinc/05/09/22/387050922.db2.gz QANCZEAQNUGHCY-NSHDSACASA-N 1 3 212.337 1.263 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369654301 387057739 /nfs/dbraw/zinc/05/77/39/387057739.db2.gz CPUYYNNVOGNHHE-RFGFWPKPSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369654301 387057743 /nfs/dbraw/zinc/05/77/43/387057743.db2.gz CPUYYNNVOGNHHE-RFGFWPKPSA-N 1 3 238.375 1.173 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000070315025 387063596 /nfs/dbraw/zinc/06/35/96/387063596.db2.gz QROIDWRQEBUHEL-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO c1ccc(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000088300999 387017847 /nfs/dbraw/zinc/01/78/47/387017847.db2.gz PBYNZHYSVIFBBA-ZIAGYGMSSA-N 1 3 216.328 1.380 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCC1(CO)CC2(CCC2)C1 ZINC000333328228 387028039 /nfs/dbraw/zinc/02/80/39/387028039.db2.gz VRYVJRMXTKUFJI-VXGBXAGGSA-N 1 3 238.375 1.399 20 0 BDADHO CC/C=C\CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766359 387070598 /nfs/dbraw/zinc/07/05/98/387070598.db2.gz NPBKERUJJDFPDD-GXMNPTEKSA-N 1 3 240.391 1.731 20 0 BDADHO CC/C=C/CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766360 387070657 /nfs/dbraw/zinc/07/06/57/387070657.db2.gz NPBKERUJJDFPDD-VBROQKIQSA-N 1 3 240.391 1.731 20 0 BDADHO CC/C=C/CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766358 387071648 /nfs/dbraw/zinc/07/16/48/387071648.db2.gz NPBKERUJJDFPDD-GJBLVYBDSA-N 1 3 240.391 1.731 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CCCOC2)CC1 ZINC000070650287 387072071 /nfs/dbraw/zinc/07/20/71/387072071.db2.gz DREONOZIMAQDGF-ZDUSSCGKSA-N 1 3 226.364 1.628 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000423300536 387131424 /nfs/dbraw/zinc/13/14/24/387131424.db2.gz RSKUFBNKNKGQEG-YNEHKIRRSA-N 1 3 227.396 1.434 20 0 BDADHO CCC[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378754 387102234 /nfs/dbraw/zinc/10/22/34/387102234.db2.gz IVWHCQIKCFKMCA-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378754 387102239 /nfs/dbraw/zinc/10/22/39/387102239.db2.gz IVWHCQIKCFKMCA-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](C1C[NH2+]C1)N1CCC[C@]2(CCSC2)C1 ZINC000335008173 387102844 /nfs/dbraw/zinc/10/28/44/387102844.db2.gz HMLGOALMZFJLDH-YPMHNXCESA-N 1 3 240.416 1.813 20 0 BDADHO C[C@H](C1CNC1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000335008173 387102849 /nfs/dbraw/zinc/10/28/49/387102849.db2.gz HMLGOALMZFJLDH-YPMHNXCESA-N 1 3 240.416 1.813 20 0 BDADHO C[C@H](C1CNC1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000335008173 387102852 /nfs/dbraw/zinc/10/28/52/387102852.db2.gz HMLGOALMZFJLDH-YPMHNXCESA-N 1 3 240.416 1.813 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000423300533 387131649 /nfs/dbraw/zinc/13/16/49/387131649.db2.gz RSKUFBNKNKGQEG-JHJVBQTASA-N 1 3 227.396 1.434 20 0 BDADHO C[N@@H+](C[C@H]1CCCOC1)C[C@H]1CCCNC1 ZINC000250379995 387114805 /nfs/dbraw/zinc/11/48/05/387114805.db2.gz JBSFWFKUWFUXIL-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[N@H+](C[C@H]1CCCOC1)C[C@H]1CCCNC1 ZINC000250379995 387114809 /nfs/dbraw/zinc/11/48/09/387114809.db2.gz JBSFWFKUWFUXIL-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@H]1CCCOC1)C[C@H]1CCC[NH2+]C1 ZINC000250379995 387114813 /nfs/dbraw/zinc/11/48/13/387114813.db2.gz JBSFWFKUWFUXIL-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423312451 387149398 /nfs/dbraw/zinc/14/93/98/387149398.db2.gz VEZLMUKHUZKUKA-OLZOCXBDSA-N 1 3 235.375 1.977 20 0 BDADHO CCC1(CC)[C@H]([NH2+]C[C@@H](C)CN)C[C@@H]1OC ZINC000423312375 387149426 /nfs/dbraw/zinc/14/94/26/387149426.db2.gz UZPKNFUCPQLDKP-TUAOUCFPSA-N 1 3 228.380 1.765 20 0 BDADHO CCC1(CC)[C@H](NC[C@@H]([NH3+])C2CC2)C[C@H]1OC ZINC000423314783 387154270 /nfs/dbraw/zinc/15/42/70/387154270.db2.gz HUYCKKRQQMZZMS-JHJVBQTASA-N 1 3 240.391 1.907 20 0 BDADHO CCC[NH2+]CCN[C@H](C)C1CCOCC1 ZINC000423314882 387155249 /nfs/dbraw/zinc/15/52/49/387155249.db2.gz WSDQBFNZHXWGOE-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CC(=O)Nc1ccc([C@@H](C)NC[C@H](C)C[NH3+])cc1 ZINC000423314370 387155331 /nfs/dbraw/zinc/15/53/31/387155331.db2.gz YKBGVGUHMKRDSN-GHMZBOCLSA-N 1 3 249.358 1.890 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)C1CCOCC1 ZINC000423319150 387159025 /nfs/dbraw/zinc/15/90/25/387159025.db2.gz CZZGIUSUKUAQTO-GXTWGEPZSA-N 1 3 240.391 1.781 20 0 BDADHO COC[C@@H](NCC1([NH3+])CCC1)C(C)C ZINC000423323439 387168058 /nfs/dbraw/zinc/16/80/58/387168058.db2.gz JLHXIWZXGYKYKY-SNVBAGLBSA-N 1 3 200.326 1.128 20 0 BDADHO Cc1ccnc([C@H](C)NCCCC[NH3+])c1 ZINC000423332066 387177962 /nfs/dbraw/zinc/17/79/62/387177962.db2.gz QOARKLLGYLQTAN-NSHDSACASA-N 1 3 207.321 1.780 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])CCC2)C12CCC2 ZINC000423338131 387185465 /nfs/dbraw/zinc/18/54/65/387185465.db2.gz VRIWAHKEXHUWLG-VXGBXAGGSA-N 1 3 238.375 1.805 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622102 387186706 /nfs/dbraw/zinc/18/67/06/387186706.db2.gz SXASEJPJSIIXQQ-MJBXVCDLSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622102 387186713 /nfs/dbraw/zinc/18/67/13/387186713.db2.gz SXASEJPJSIIXQQ-MJBXVCDLSA-N 1 3 240.391 1.754 20 0 BDADHO CCCC[C@H](CN)[NH2+]C1CCN(C2CC2)CC1 ZINC000423301155 387133305 /nfs/dbraw/zinc/13/33/05/387133305.db2.gz SPVPPCNXSZBHAW-CYBMUJFWSA-N 1 3 239.407 1.720 20 0 BDADHO COC[C@@H]([NH2+]C[C@H](C)CN)C1CCCC1 ZINC000423301400 387133365 /nfs/dbraw/zinc/13/33/65/387133365.db2.gz FZHWYVDRBGPMNB-ZYHUDNBSSA-N 1 3 214.353 1.376 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000370665022 387134024 /nfs/dbraw/zinc/13/40/24/387134024.db2.gz MLWHGGFZTOFZDM-NSHDSACASA-N 1 3 202.317 1.762 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000370665022 387134026 /nfs/dbraw/zinc/13/40/26/387134026.db2.gz MLWHGGFZTOFZDM-NSHDSACASA-N 1 3 202.317 1.762 20 0 BDADHO C1CC([C@H]2CC[C@@H]2N[C@H]2CCC[NH2+]C2)C1 ZINC000423302192 387134480 /nfs/dbraw/zinc/13/44/80/387134480.db2.gz JFIFRYGEGJYWTD-XQQFMLRXSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc2c(c1)COC2 ZINC000423304971 387139679 /nfs/dbraw/zinc/13/96/79/387139679.db2.gz ZUPYANAWIUOKKN-WDEREUQCSA-N 1 3 234.343 1.962 20 0 BDADHO C[C@H]([NH2+]CC1CNC1)[C@@H](C)c1ccccc1 ZINC000423306202 387141026 /nfs/dbraw/zinc/14/10/26/387141026.db2.gz SMIHNUIZAUIUHN-NEPJUHHUSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@H](NCC1C[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000423306202 387141028 /nfs/dbraw/zinc/14/10/28/387141028.db2.gz SMIHNUIZAUIUHN-NEPJUHHUSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N(C)C)cc1 ZINC000423356123 387208537 /nfs/dbraw/zinc/20/85/37/387208537.db2.gz QATQACZAYJVLMC-QWRGUYRKSA-N 1 3 249.358 1.386 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C12CCC2 ZINC000423359176 387209510 /nfs/dbraw/zinc/20/95/10/387209510.db2.gz CTYOPRYSXAKACQ-GARJFASQSA-N 1 3 212.337 1.271 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1N[C@@H](C)C[NH3+] ZINC000423361413 387214044 /nfs/dbraw/zinc/21/40/44/387214044.db2.gz GQJAVDVKHNEHAQ-GARJFASQSA-N 1 3 214.353 1.517 20 0 BDADHO CCN1C[C@H](C)[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000423366644 387219183 /nfs/dbraw/zinc/21/91/83/387219183.db2.gz CSFNHDVMNQQCBY-ZDEQEGDKSA-N 1 3 225.380 1.057 20 0 BDADHO C1C[C@@H](N2C[C@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CO1 ZINC000371464046 387219953 /nfs/dbraw/zinc/21/99/53/387219953.db2.gz NXWCKYBZTHVKSX-AAVRWANBSA-N 1 3 236.359 1.191 20 0 BDADHO C1C[C@@H](N2C[C@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CO1 ZINC000371464046 387219957 /nfs/dbraw/zinc/21/99/57/387219957.db2.gz NXWCKYBZTHVKSX-AAVRWANBSA-N 1 3 236.359 1.191 20 0 BDADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCO1 ZINC000423370419 387222938 /nfs/dbraw/zinc/22/29/38/387222938.db2.gz DEOYSYIDAHYXJM-DDHJBXDOSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1CCCO1 ZINC000423370419 387222942 /nfs/dbraw/zinc/22/29/42/387222942.db2.gz DEOYSYIDAHYXJM-DDHJBXDOSA-N 1 3 212.337 1.284 20 0 BDADHO CC[NH2+]CCCN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000572026482 387223615 /nfs/dbraw/zinc/22/36/15/387223615.db2.gz MDKYKXWQTYPILZ-FRRDWIJNSA-N 1 3 238.375 1.533 20 0 BDADHO CCNCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000572026482 387223618 /nfs/dbraw/zinc/22/36/18/387223618.db2.gz MDKYKXWQTYPILZ-FRRDWIJNSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)[C@@H](C)O1 ZINC000423325908 387230235 /nfs/dbraw/zinc/23/02/35/387230235.db2.gz CETFZBFXHHQHNH-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCNC2)[C@@H](C)O1 ZINC000423325908 387230238 /nfs/dbraw/zinc/23/02/38/387230238.db2.gz CETFZBFXHHQHNH-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)CN1CCCCC1 ZINC000120343585 387232101 /nfs/dbraw/zinc/23/21/01/387232101.db2.gz OHMKKILIKZWHLE-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CN[C@@H]1CCO[C@@H]1C)C[NH+]1CCCCC1 ZINC000120343585 387232111 /nfs/dbraw/zinc/23/21/11/387232111.db2.gz OHMKKILIKZWHLE-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000300698137 387238776 /nfs/dbraw/zinc/23/87/76/387238776.db2.gz VFRCXJKLFDHXQK-HZSPNIEDSA-N 1 3 242.407 1.892 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423405835 387244427 /nfs/dbraw/zinc/24/44/27/387244427.db2.gz UBKXGZYHJRTWRO-WZRBSPASSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCNC[C@H]1C ZINC000423405835 387244429 /nfs/dbraw/zinc/24/44/29/387244429.db2.gz UBKXGZYHJRTWRO-WZRBSPASSA-N 1 3 222.332 1.798 20 0 BDADHO COC[C@@H]([NH2+]C[C@]1(COC)CCCN1)C(C)C ZINC000423410925 387245275 /nfs/dbraw/zinc/24/52/75/387245275.db2.gz ASANTDRGZBENFR-OLZOCXBDSA-N 1 3 244.379 1.016 20 0 BDADHO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1C(C)(C)C1(C)C ZINC000423424610 387252184 /nfs/dbraw/zinc/25/21/84/387252184.db2.gz FYMFQRBTHUZHJG-UKKRHICBSA-N 1 3 222.376 1.865 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1C[C@H](OC)C1(CC)CC ZINC000423464608 387313154 /nfs/dbraw/zinc/31/31/54/387313154.db2.gz MGLSPPFRYBHZIF-SRVKXCTJSA-N 1 3 228.380 1.907 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](C)C1CCOCC1 ZINC000423391991 387276278 /nfs/dbraw/zinc/27/62/78/387276278.db2.gz XGGBOUYMRWGLGB-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391665 387276410 /nfs/dbraw/zinc/27/64/10/387276410.db2.gz PNLWZWWIJXGCGS-GHMZBOCLSA-N 1 3 234.343 1.803 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@H]2C)CN1C1CC1 ZINC000423395167 387280607 /nfs/dbraw/zinc/28/06/07/387280607.db2.gz NGAGPHVSSLNMBN-BYNQJWBRSA-N 1 3 237.391 1.199 20 0 BDADHO CC[C@@H](N[C@H](C)CCCC[NH3+])c1ccn(C)n1 ZINC000423431985 387283211 /nfs/dbraw/zinc/28/32/11/387283211.db2.gz MDJIQJRULOKEFP-VXGBXAGGSA-N 1 3 238.379 1.978 20 0 BDADHO C1CC(C(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CCC2)C1 ZINC000423432467 387283696 /nfs/dbraw/zinc/28/36/96/387283696.db2.gz OMECURPFXPXIIH-IMRBUKKESA-N 1 3 220.360 1.763 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423448937 387298377 /nfs/dbraw/zinc/29/83/77/387298377.db2.gz QVXJDTOPYYFKRQ-PREPNJAASA-N 1 3 224.348 1.269 20 0 BDADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000423451107 387298720 /nfs/dbraw/zinc/29/87/20/387298720.db2.gz XUUKQHIIEJZHDC-LEWSCRJBSA-N 1 3 248.374 1.459 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)on1 ZINC000353995188 387307214 /nfs/dbraw/zinc/30/72/14/387307214.db2.gz HHHSDSFHKLFTLM-GXFFZTMASA-N 1 3 237.347 1.455 20 0 BDADHO Cc1cc(CCN[C@@H]2CC[N@H+](C)C[C@@H]2C)on1 ZINC000353995188 387307218 /nfs/dbraw/zinc/30/72/18/387307218.db2.gz HHHSDSFHKLFTLM-GXFFZTMASA-N 1 3 237.347 1.455 20 0 BDADHO CO[C@@H]1CCC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643502972 387368668 /nfs/dbraw/zinc/36/86/68/387368668.db2.gz WQKWIVHXXFQTLN-JHJVBQTASA-N 1 3 226.364 1.676 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423554127 387373005 /nfs/dbraw/zinc/37/30/05/387373005.db2.gz LBCIRYMMECJNSO-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC1(C)C ZINC000423492295 387336305 /nfs/dbraw/zinc/33/63/05/387336305.db2.gz MLQUQTGTXNOMOC-SRVKXCTJSA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@H](N[C@H]1CC[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000423498119 387337952 /nfs/dbraw/zinc/33/79/52/387337952.db2.gz GMEOBVPDCMTGFU-SRVKXCTJSA-N 1 3 236.363 1.588 20 0 BDADHO C[C@@H]1OCC[C@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423511466 387347188 /nfs/dbraw/zinc/34/71/88/387347188.db2.gz TUMVBHPSWFCNCG-WCQGTBRESA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@H]2CCSC2)C[NH2+]1 ZINC000306573031 387426879 /nfs/dbraw/zinc/42/68/79/387426879.db2.gz HXUZDOPKTPJPAP-MXWKQRLJSA-N 1 3 214.378 1.470 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352669232 387429283 /nfs/dbraw/zinc/42/92/83/387429283.db2.gz YEHNXNXRTDEZRY-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352669232 387429288 /nfs/dbraw/zinc/42/92/88/387429288.db2.gz YEHNXNXRTDEZRY-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)N(C)CCN(C)C1CC1 ZINC000423857586 387437826 /nfs/dbraw/zinc/43/78/26/387437826.db2.gz ZWLZFFAXNKTMQO-ZDUSSCGKSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCOC1 ZINC000361414748 387457146 /nfs/dbraw/zinc/45/71/46/387457146.db2.gz LPXFHXUHBTXAAZ-UONOGXRCSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)N(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCOC1 ZINC000361414748 387457148 /nfs/dbraw/zinc/45/71/48/387457148.db2.gz LPXFHXUHBTXAAZ-UONOGXRCSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H](NCC1(CO)CCCCC1)C1C[NH2+]C1 ZINC000643466284 387386851 /nfs/dbraw/zinc/38/68/51/387386851.db2.gz SJPIOEXTGBJVFG-LLVKDONJSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H]([NH2+]CC1(CO)CCCCC1)C1CNC1 ZINC000643466284 387386853 /nfs/dbraw/zinc/38/68/53/387386853.db2.gz SJPIOEXTGBJVFG-LLVKDONJSA-N 1 3 226.364 1.127 20 0 BDADHO CCN1CCN(CCC[NH+](CC)CC)[C@H](C)C1 ZINC000352658192 387422931 /nfs/dbraw/zinc/42/29/31/387422931.db2.gz DIIMKGXFZACRTQ-CQSZACIVSA-N 1 3 241.423 1.744 20 0 BDADHO CC1(C)C[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000396823015 387495264 /nfs/dbraw/zinc/49/52/64/387495264.db2.gz AHBCUGULRVGCKX-VXGBXAGGSA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)C[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000396823015 387495267 /nfs/dbraw/zinc/49/52/67/387495267.db2.gz AHBCUGULRVGCKX-VXGBXAGGSA-N 1 3 238.375 1.628 20 0 BDADHO CN1CCN(CCCC[NH2+]CC2(F)CC2)CC1 ZINC000527223025 387535987 /nfs/dbraw/zinc/53/59/87/387535987.db2.gz HJCQLNGIPJAGPB-UHFFFAOYSA-N 1 3 243.370 1.106 20 0 BDADHO C[C@@H](NCC[NH2+]C1CC1)[C@@H]1CCCOC1 ZINC000643507827 387480273 /nfs/dbraw/zinc/48/02/73/387480273.db2.gz RAICIDYMSRRUNS-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1ccoc1C ZINC000643472228 387484812 /nfs/dbraw/zinc/48/48/12/387484812.db2.gz JOCAUNIZZQCSCW-GFCCVEGCSA-N 1 3 226.320 1.432 20 0 BDADHO CCC1(O)CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000643474200 387488754 /nfs/dbraw/zinc/48/87/54/387488754.db2.gz NHMKRRRDZUILEO-ZIHBUVQPSA-N 1 3 240.391 1.658 20 0 BDADHO CCC1(O)CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000643474165 387489148 /nfs/dbraw/zinc/48/91/48/387489148.db2.gz LGMZRBFJWQJLLW-ZSVAQUKISA-N 1 3 228.380 1.786 20 0 BDADHO Cc1ccc([C@@H](C)NC[C@H](C)C[NH3+])c(C)n1 ZINC000643514824 387599735 /nfs/dbraw/zinc/59/97/35/387599735.db2.gz MEBZVPDWZPUKSK-MWLCHTKSSA-N 1 3 221.348 1.944 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000422561074 387602679 /nfs/dbraw/zinc/60/26/79/387602679.db2.gz IVZHOGMHWBPNQJ-NAWOPXAZSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1C[C@@H](CN)[C@H](C)C[C@@H]1C ZINC000422561074 387602685 /nfs/dbraw/zinc/60/26/85/387602685.db2.gz IVZHOGMHWBPNQJ-NAWOPXAZSA-N 1 3 210.365 1.948 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1cn2ccsc2n1 ZINC000422700977 387614871 /nfs/dbraw/zinc/61/48/71/387614871.db2.gz HQCUMXJOCHIJEU-VIFPVBQESA-N 1 3 238.360 1.613 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@H](O)C1CCCCC1 ZINC000422702997 387617960 /nfs/dbraw/zinc/61/79/60/387617960.db2.gz MBAGRQVLQCGOJZ-UPJWGTAASA-N 1 3 226.364 1.397 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCCO1 ZINC000422704504 387621250 /nfs/dbraw/zinc/62/12/50/387621250.db2.gz PVBHIDUWDFQWQR-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000422704504 387621253 /nfs/dbraw/zinc/62/12/53/387621253.db2.gz PVBHIDUWDFQWQR-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000124598462 387622330 /nfs/dbraw/zinc/62/23/30/387622330.db2.gz YKTJECAPHREVRT-BFHYXJOUSA-N 1 3 234.343 1.738 20 0 BDADHO OC1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000527533184 387623405 /nfs/dbraw/zinc/62/34/05/387623405.db2.gz RECUKLWOEMERKC-HTAVTVPLSA-N 1 3 224.348 1.164 20 0 BDADHO C[C@H](O)CC[N@H+](C)CC[C@@H]1CCCN1C ZINC000305651449 387624117 /nfs/dbraw/zinc/62/41/17/387624117.db2.gz CDFYVSCOOLYWIO-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](O)CC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000305651449 387624120 /nfs/dbraw/zinc/62/41/20/387624120.db2.gz CDFYVSCOOLYWIO-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](NC[C@@]1(C)CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000397181238 387550014 /nfs/dbraw/zinc/55/00/14/387550014.db2.gz JBUORPYCKOUSRI-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO CCCC[NH+]1CCC(NC(=O)[C@@H](N)CC)CC1 ZINC000037005051 387556795 /nfs/dbraw/zinc/55/67/95/387556795.db2.gz DODGSQOBGWZGED-LBPRGKRZSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422717539 387630409 /nfs/dbraw/zinc/63/04/09/387630409.db2.gz WARYSERRGBZQTH-WUHRBBMRSA-N 1 3 228.380 1.501 20 0 BDADHO CC(C)C[C@@H](CN(C)C)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422717123 387631493 /nfs/dbraw/zinc/63/14/93/387631493.db2.gz OGVDQHSTVGMRHD-HZSPNIEDSA-N 1 3 241.423 1.693 20 0 BDADHO CN(C)c1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422720796 387632562 /nfs/dbraw/zinc/63/25/62/387632562.db2.gz TWNSGUKOISNBPX-UKRRQHHQSA-N 1 3 247.386 1.970 20 0 BDADHO COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422726950 387634862 /nfs/dbraw/zinc/63/48/62/387634862.db2.gz AXQIUFUKAHQJOX-MNOVXSKESA-N 1 3 222.332 1.911 20 0 BDADHO COc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422726952 387635327 /nfs/dbraw/zinc/63/53/27/387635327.db2.gz AXQIUFUKAHQJOX-WDEREUQCSA-N 1 3 222.332 1.911 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CCCOC(C)C)C1 ZINC000430625498 387635804 /nfs/dbraw/zinc/63/58/04/387635804.db2.gz JNKZWXJENRNNJJ-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422728417 387639258 /nfs/dbraw/zinc/63/92/58/387639258.db2.gz GHLOEUQKDSDJNK-SDDRHHMPSA-N 1 3 214.353 1.374 20 0 BDADHO CC[C@H]1CCCCN1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422729319 387639364 /nfs/dbraw/zinc/63/93/64/387639364.db2.gz KKICXXWOTUECHC-JSGCOSHPSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]([NH3+])CC(=O)NCc1cccc(CN(C)C)c1 ZINC000430701885 387643133 /nfs/dbraw/zinc/64/31/33/387643133.db2.gz PSUVSQWRNBJCOF-LLVKDONJSA-N 1 3 249.358 1.102 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cccc(CO)c1 ZINC000422736563 387643335 /nfs/dbraw/zinc/64/33/35/387643335.db2.gz GOFWVVQGWZIDGH-GHMZBOCLSA-N 1 3 222.332 1.394 20 0 BDADHO COc1ccc(CCN[C@H](C)C2C[NH2+]C2)cc1 ZINC000422736686 387643779 /nfs/dbraw/zinc/64/37/79/387643779.db2.gz WGCAVGGKABTUFM-LLVKDONJSA-N 1 3 234.343 1.435 20 0 BDADHO COc1ccc(CC[NH2+][C@H](C)C2CNC2)cc1 ZINC000422736686 387643785 /nfs/dbraw/zinc/64/37/85/387643785.db2.gz WGCAVGGKABTUFM-LLVKDONJSA-N 1 3 234.343 1.435 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@]1(C)CCOC1 ZINC000422736322 387644143 /nfs/dbraw/zinc/64/41/43/387644143.db2.gz VXGBTNLSKIMGIB-UTUOFQBUSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H](NC[C@H](C)N(C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422737405 387645974 /nfs/dbraw/zinc/64/59/74/387645974.db2.gz IAOIYJJKTMDZLR-LOWVWBTDSA-N 1 3 225.380 1.199 20 0 BDADHO COC[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000125186268 387646540 /nfs/dbraw/zinc/64/65/40/387646540.db2.gz RJNWOJLUENXGSN-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000125186268 387646542 /nfs/dbraw/zinc/64/65/42/387646542.db2.gz RJNWOJLUENXGSN-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000125186030 387646955 /nfs/dbraw/zinc/64/69/55/387646955.db2.gz RJNWOJLUENXGSN-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000125186030 387646957 /nfs/dbraw/zinc/64/69/57/387646957.db2.gz RJNWOJLUENXGSN-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H](C[NH2+][C@H](C)c1cnccc1N)N(C)C ZINC000422745670 387648179 /nfs/dbraw/zinc/64/81/79/387648179.db2.gz VLKFOADZNOEVLE-NXEZZACHSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@H](CN[C@H](C)c1cnccc1N)[NH+](C)C ZINC000422745670 387648181 /nfs/dbraw/zinc/64/81/81/387648181.db2.gz VLKFOADZNOEVLE-NXEZZACHSA-N 1 3 222.336 1.095 20 0 BDADHO C[C@H](CCCCO)[NH2+]C[C@]1(C)CCCNC1 ZINC000643518693 387652097 /nfs/dbraw/zinc/65/20/97/387652097.db2.gz LZNPGWZXVDIFCG-CHWSQXEVSA-N 1 3 228.380 1.517 20 0 BDADHO CSCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422749923 387655062 /nfs/dbraw/zinc/65/50/62/387655062.db2.gz BMGHLKGCOATEHF-VHSXEESVSA-N 1 3 202.367 1.327 20 0 BDADHO CSCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422749783 387656252 /nfs/dbraw/zinc/65/62/52/387656252.db2.gz AXHGXFSAOVTZDJ-GHMZBOCLSA-N 1 3 216.394 1.717 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000422750723 387656697 /nfs/dbraw/zinc/65/66/97/387656697.db2.gz DOGPBINQZWJKHE-QWHCGFSZSA-N 1 3 220.316 1.535 20 0 BDADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)CCC[NH3+] ZINC000430898960 387658263 /nfs/dbraw/zinc/65/82/63/387658263.db2.gz YDJSJHMHSKWIRL-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422758328 387660887 /nfs/dbraw/zinc/66/08/87/387660887.db2.gz JIGXQOREUIBAHZ-DCAQKATOSA-N 1 3 214.353 1.253 20 0 BDADHO CC[C@@H](NCCN1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000422759866 387663387 /nfs/dbraw/zinc/66/33/87/387663387.db2.gz KGYDOQWBEYIDGS-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO CN(CCN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430939414 387663927 /nfs/dbraw/zinc/66/39/27/387663927.db2.gz GCFHBSXGQNPTNR-CYBMUJFWSA-N 1 3 233.359 1.403 20 0 BDADHO CCN1CCC[C@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422764128 387665049 /nfs/dbraw/zinc/66/50/49/387665049.db2.gz UOBKQQRAOVDZPV-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO Cc1cc(C)n(CCC[NH2+][C@H](C)C[C@H](C)N)n1 ZINC000422764985 387666191 /nfs/dbraw/zinc/66/61/91/387666191.db2.gz VQWIAPYAGDNIPZ-WDEREUQCSA-N 1 3 238.379 1.605 20 0 BDADHO OC[C@H](CNC1CC[NH2+]CC1)Cc1ccccc1 ZINC000422772912 387669537 /nfs/dbraw/zinc/66/95/37/387669537.db2.gz ZHEDSLCHOOGSFL-AWEZNQCLSA-N 1 3 248.370 1.179 20 0 BDADHO OC[C@H](C[NH2+]C1CCNCC1)Cc1ccccc1 ZINC000422772912 387669542 /nfs/dbraw/zinc/66/95/42/387669542.db2.gz ZHEDSLCHOOGSFL-AWEZNQCLSA-N 1 3 248.370 1.179 20 0 BDADHO COc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422770966 387670567 /nfs/dbraw/zinc/67/05/67/387670567.db2.gz QXFHGSKCZVUICQ-MNOVXSKESA-N 1 3 222.332 1.911 20 0 BDADHO COC[C@H]([NH2+]C[C@H](C)CN1CCCC1)C(C)C ZINC000126502897 387685161 /nfs/dbraw/zinc/68/51/61/387685161.db2.gz UXPOBKJQSAFYKD-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H](NC[C@H](C)C[NH+]1CCCC1)C(C)C ZINC000126502897 387685165 /nfs/dbraw/zinc/68/51/65/387685165.db2.gz UXPOBKJQSAFYKD-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H](NCC1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000044517170 387686056 /nfs/dbraw/zinc/68/60/56/387686056.db2.gz AMMXFQNLPSNGTG-NSHDSACASA-N 1 3 236.363 1.413 20 0 BDADHO C[C@@H](N[C@@H]1CCN(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422743782 387691238 /nfs/dbraw/zinc/69/12/38/387691238.db2.gz RVJYPWFCLFLZBD-YRGRVCCFSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCC[C@@H](C)C1 ZINC000422862916 387743478 /nfs/dbraw/zinc/74/34/78/387743478.db2.gz OFAPJCXSGMWNMR-MQYQWHSLSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCCC[C@@H]1C ZINC000422862911 387743928 /nfs/dbraw/zinc/74/39/28/387743928.db2.gz OECOOLQGXNDCLW-HZSPNIEDSA-N 1 3 239.407 1.448 20 0 BDADHO CC1CCN(CCN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422859473 387743967 /nfs/dbraw/zinc/74/39/67/387743967.db2.gz KCVGQXBRQCYPEF-UONOGXRCSA-N 1 3 239.407 1.306 20 0 BDADHO C[C@@H]1CCCN(CCN[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422864848 387746821 /nfs/dbraw/zinc/74/68/21/387746821.db2.gz WMCXWQYLFNHDIO-HZSPNIEDSA-N 1 3 239.407 1.306 20 0 BDADHO COc1ccc(CC[C@@H](C)NC[C@@H](C)[NH3+])cc1 ZINC000643526251 387749641 /nfs/dbraw/zinc/74/96/41/387749641.db2.gz WDKDUQJFKYKHDV-VXGBXAGGSA-N 1 3 236.359 1.953 20 0 BDADHO C[C@H](NCCN1CCC[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422871383 387750370 /nfs/dbraw/zinc/75/03/70/387750370.db2.gz ZYKKWJFGZYPKMM-MELADBBJSA-N 1 3 239.407 1.448 20 0 BDADHO COCc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000422873463 387751814 /nfs/dbraw/zinc/75/18/14/387751814.db2.gz AKUYUUNTZGXYCR-ZIAGYGMSSA-N 1 3 234.343 1.802 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@]1(C)CCCS1 ZINC000422872445 387752611 /nfs/dbraw/zinc/75/26/11/387752611.db2.gz HEAXUTXAGSMDHA-GRYCIOLGSA-N 1 3 228.405 1.860 20 0 BDADHO CCSCC[C@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422804913 387703660 /nfs/dbraw/zinc/70/36/60/387703660.db2.gz IIGPNNVGYGEJFZ-VHSXEESVSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCCCCC1 ZINC000422807822 387705812 /nfs/dbraw/zinc/70/58/12/387705812.db2.gz NHCGVDSWGNCSMT-ZIAGYGMSSA-N 1 3 239.407 1.450 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCN1CCCCCC1 ZINC000422808583 387709301 /nfs/dbraw/zinc/70/93/01/387709301.db2.gz OMMHQTPKTWATJI-QWHCGFSZSA-N 1 3 225.380 1.332 20 0 BDADHO CO[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000422810647 387709595 /nfs/dbraw/zinc/70/95/95/387709595.db2.gz SAIIXTMUNQHSHA-HNGCFSAESA-N 1 3 226.364 1.530 20 0 BDADHO CCC(CC)(CCO)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422814675 387713929 /nfs/dbraw/zinc/71/39/29/387713929.db2.gz VWLMGXNAVRDEHA-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO CCO[C@@H](CC[NH2+][C@@H](C)C1CNC1)C(C)C ZINC000422815559 387714062 /nfs/dbraw/zinc/71/40/62/387714062.db2.gz XXCOMHHLWVHWNK-AAEUAGOBSA-N 1 3 228.380 1.635 20 0 BDADHO CCO[C@@H](CCN[C@@H](C)C1C[NH2+]C1)C(C)C ZINC000422815559 387714066 /nfs/dbraw/zinc/71/40/66/387714066.db2.gz XXCOMHHLWVHWNK-AAEUAGOBSA-N 1 3 228.380 1.635 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422817312 387714738 /nfs/dbraw/zinc/71/47/38/387714738.db2.gz CVIXQBNJZTXAFE-NWDGAFQWSA-N 1 3 213.369 1.188 20 0 BDADHO CC(C)C[C@@H](CN[C@@H](C)C1C[NH2+]C1)N(C)C ZINC000422817384 387715390 /nfs/dbraw/zinc/71/53/90/387715390.db2.gz HMQFPQWNXHZHQT-AAEUAGOBSA-N 1 3 227.396 1.160 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc2c1CNCC2 ZINC000367513876 387718455 /nfs/dbraw/zinc/71/84/55/387718455.db2.gz OUFPHNUJIJWSLG-NXEZZACHSA-N 1 3 247.342 1.254 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1cn2ccccc2n1 ZINC000422820447 387718746 /nfs/dbraw/zinc/71/87/46/387718746.db2.gz QPZBZAAGISSCET-RYUDHWBXSA-N 1 3 246.358 1.592 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422820447 387718750 /nfs/dbraw/zinc/71/87/50/387718750.db2.gz QPZBZAAGISSCET-RYUDHWBXSA-N 1 3 246.358 1.592 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCNc1ccccn1 ZINC000422834676 387726019 /nfs/dbraw/zinc/72/60/19/387726019.db2.gz NWQTUWYGJQQZFH-STQMWFEESA-N 1 3 248.374 1.601 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851723 387736883 /nfs/dbraw/zinc/73/68/83/387736883.db2.gz FVBVFBWYTGCGIB-FRRDWIJNSA-N 1 3 237.391 1.343 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@H](C)[NH3+])C12CCCC2 ZINC000643527161 387763999 /nfs/dbraw/zinc/76/39/99/387763999.db2.gz KFVSNHAONOYAKJ-SDDRHHMPSA-N 1 3 226.364 1.661 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422912040 387771581 /nfs/dbraw/zinc/77/15/81/387771581.db2.gz VABUOIXBAKLJSJ-MJBXVCDLSA-N 1 3 241.423 1.966 20 0 BDADHO C[C@H](N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000643529248 387771769 /nfs/dbraw/zinc/77/17/69/387771769.db2.gz XNCSBEDQPZWJNZ-UFBFGSQYSA-N 1 3 208.280 1.750 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCC(F)(F)F ZINC000422917877 387773980 /nfs/dbraw/zinc/77/39/80/387773980.db2.gz FXRHBRALVQRSSG-BDAKNGLRSA-N 1 3 224.270 1.917 20 0 BDADHO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)C1CNC1 ZINC000422921241 387776017 /nfs/dbraw/zinc/77/60/17/387776017.db2.gz PGWGXHMGTQXPPF-SCRDCRAPSA-N 1 3 240.391 1.635 20 0 BDADHO COC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000422937545 387783148 /nfs/dbraw/zinc/78/31/48/387783148.db2.gz OFHOFLWDWSTUIJ-QXEWZRGKSA-N 1 3 200.326 1.127 20 0 BDADHO CCc1nc(CCN[C@@H](C)C[C@H](C)[NH3+])cs1 ZINC000422901179 387785765 /nfs/dbraw/zinc/78/57/65/387785765.db2.gz KNULCRXEBGQPEF-UWVGGRQHSA-N 1 3 241.404 1.963 20 0 BDADHO OC1CC(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000432408935 387787156 /nfs/dbraw/zinc/78/71/56/387787156.db2.gz DJDBOEGSUPEKGV-YIFLHPOLSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000432408935 387787158 /nfs/dbraw/zinc/78/71/58/387787158.db2.gz DJDBOEGSUPEKGV-YIFLHPOLSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000432408935 387787160 /nfs/dbraw/zinc/78/71/60/387787160.db2.gz DJDBOEGSUPEKGV-YIFLHPOLSA-N 1 3 238.375 1.364 20 0 BDADHO CC[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150983861 387788718 /nfs/dbraw/zinc/78/87/18/387788718.db2.gz UCWIAODZEYDUOB-LBPRGKRZSA-N 1 3 227.396 1.401 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCc1ccc(O)cc1 ZINC000422985286 387795304 /nfs/dbraw/zinc/79/53/04/387795304.db2.gz CYPHNEQCSYXBDR-QWRGUYRKSA-N 1 3 222.332 1.650 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000422985286 387795309 /nfs/dbraw/zinc/79/53/09/387795309.db2.gz CYPHNEQCSYXBDR-QWRGUYRKSA-N 1 3 222.332 1.650 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985315 387795371 /nfs/dbraw/zinc/79/53/71/387795371.db2.gz DBTFGLGSXWIEMK-WFASDCNBSA-N 1 3 248.370 1.912 20 0 BDADHO COCCC1(CN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422986848 387796330 /nfs/dbraw/zinc/79/63/30/387796330.db2.gz DLRPKLBVUKZJGY-VXGBXAGGSA-N 1 3 226.364 1.391 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989599 387798003 /nfs/dbraw/zinc/79/80/03/387798003.db2.gz LYPUMYBOFIITRO-CHWSQXEVSA-N 1 3 240.391 1.646 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992613 387799496 /nfs/dbraw/zinc/79/94/96/387799496.db2.gz RPDXAAFVFHUOHY-VXGBXAGGSA-N 1 3 226.364 1.256 20 0 BDADHO CCOCCN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222050646 387801594 /nfs/dbraw/zinc/80/15/94/387801594.db2.gz NKUDENWXOTXFOW-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CCOCCN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222050646 387801597 /nfs/dbraw/zinc/80/15/97/387801597.db2.gz NKUDENWXOTXFOW-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000422994530 387801906 /nfs/dbraw/zinc/80/19/06/387801906.db2.gz IBIXWCCNRSHPKI-ZFWWWQNUSA-N 1 3 247.386 1.992 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994789 387802948 /nfs/dbraw/zinc/80/29/48/387802948.db2.gz WFKTWHRNJMUDAA-QWHCGFSZSA-N 1 3 240.391 1.517 20 0 BDADHO CC(C)CN1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000422997888 387804768 /nfs/dbraw/zinc/80/47/68/387804768.db2.gz OYCDGVCRKYDTFS-ZIAGYGMSSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)CCO ZINC000423002631 387807976 /nfs/dbraw/zinc/80/79/76/387807976.db2.gz GHZITGUZFMRKTN-VXGBXAGGSA-N 1 3 228.380 1.373 20 0 BDADHO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)C[C@H](C)N ZINC000422952484 387808943 /nfs/dbraw/zinc/80/89/43/387808943.db2.gz CNEJFMRJBOSBBG-GRYCIOLGSA-N 1 3 238.379 1.543 20 0 BDADHO C[C@@H](NC[C@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885828 387760841 /nfs/dbraw/zinc/76/08/41/387760841.db2.gz HGVHOOJLPGINFJ-VXGBXAGGSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)C1CNC1 ZINC000422885828 387760846 /nfs/dbraw/zinc/76/08/46/387760846.db2.gz HGVHOOJLPGINFJ-VXGBXAGGSA-N 1 3 246.354 1.750 20 0 BDADHO CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422974570 387824650 /nfs/dbraw/zinc/82/46/50/387824650.db2.gz FJPQQSRCVKVCGJ-UPJWGTAASA-N 1 3 228.380 1.371 20 0 BDADHO CCC(CC)(CO)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423003233 387826363 /nfs/dbraw/zinc/82/63/63/387826363.db2.gz LDHAIHYEFQKOGK-QWRGUYRKSA-N 1 3 214.353 1.255 20 0 BDADHO C[C@@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423004793 387827423 /nfs/dbraw/zinc/82/74/23/387827423.db2.gz KUICJFAACWYWHP-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO CC[C@H](N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCC[NH2+]1 ZINC000423006908 387830014 /nfs/dbraw/zinc/83/00/14/387830014.db2.gz PKZGIRJODPOWMZ-XUXIUFHCSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@@H]1CCCN1 ZINC000423006908 387830017 /nfs/dbraw/zinc/83/00/17/387830017.db2.gz PKZGIRJODPOWMZ-XUXIUFHCSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])[n-]1 ZINC000423009141 387830653 /nfs/dbraw/zinc/83/06/53/387830653.db2.gz CHPFACCDWYEZSM-UWVGGRQHSA-N 1 3 239.367 1.706 20 0 BDADHO CC(C)c1nnc([C@H](C)N[C@@H](C)CCC[NH3+])[nH]1 ZINC000423009141 387830658 /nfs/dbraw/zinc/83/06/58/387830658.db2.gz CHPFACCDWYEZSM-UWVGGRQHSA-N 1 3 239.367 1.706 20 0 BDADHO CO[C@@H]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423013147 387836873 /nfs/dbraw/zinc/83/68/73/387836873.db2.gz FFENVEBAYRSRKQ-RFQIPJPRSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](N[C@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423017874 387840660 /nfs/dbraw/zinc/84/06/60/387840660.db2.gz PSJWPCNQLTZBIR-FVCCEPFGSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCSCC(F)(F)F ZINC000423018965 387841072 /nfs/dbraw/zinc/84/10/72/387841072.db2.gz SQXXOLLTEIBEGH-YUMQZZPRSA-N 1 3 244.326 1.997 20 0 BDADHO C[C@H](N[C@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423017877 387841784 /nfs/dbraw/zinc/84/17/84/387841784.db2.gz PSJWPCNQLTZBIR-VOAKCMCISA-N 1 3 226.364 1.674 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H]1CCNCC[C@H]1C ZINC000423073359 387873730 /nfs/dbraw/zinc/87/37/30/387873730.db2.gz RDWSTJCJWQXVMQ-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CCC(O)(CC)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423073359 387873734 /nfs/dbraw/zinc/87/37/34/387873734.db2.gz RDWSTJCJWQXVMQ-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](N[C@H]1CCCN(C)[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032734 387848931 /nfs/dbraw/zinc/84/89/31/387848931.db2.gz NBGCKNMQVKTMKI-RVMXOQNASA-N 1 3 225.380 1.199 20 0 BDADHO CC1=CCN(CCN[C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032181 387849243 /nfs/dbraw/zinc/84/92/43/387849243.db2.gz DZXWABZCQJUVST-ZIAGYGMSSA-N 1 3 237.391 1.226 20 0 BDADHO CC(C)OCCCC[NH2+][C@H](C)C[C@H](C)N ZINC000423036250 387850746 /nfs/dbraw/zinc/85/07/46/387850746.db2.gz SVHBYSDHGSQYBQ-NWDGAFQWSA-N 1 3 216.369 1.907 20 0 BDADHO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)CCO1 ZINC000423039931 387853086 /nfs/dbraw/zinc/85/30/86/387853086.db2.gz GFRFJGXFGOJQHH-KWCYVHTRSA-N 1 3 240.391 1.778 20 0 BDADHO C(C[C@H]1CCCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423043986 387854925 /nfs/dbraw/zinc/85/49/25/387854925.db2.gz QIQREQYIMBFIIK-QNMSZWNNSA-N 1 3 238.375 1.818 20 0 BDADHO C/C=C\C[C@H](CO)N[C@H](C)C[C@H](C)[NH3+] ZINC000423045322 387855085 /nfs/dbraw/zinc/85/50/85/387855085.db2.gz BZPBOJBOEJMYJP-OZUGTNHESA-N 1 3 200.326 1.029 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOC(F)(F)F ZINC000423072891 387874250 /nfs/dbraw/zinc/87/42/50/387874250.db2.gz QKBPVQBXVNTADD-RNFRBKRXSA-N 1 3 214.231 1.238 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H](C)C(F)(F)F ZINC000423051897 387860001 /nfs/dbraw/zinc/86/00/01/387860001.db2.gz OOGKCFGRXOOMBW-FXQIFTODSA-N 1 3 212.259 1.900 20 0 BDADHO CCn1cc([C@@H](C)N[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000643534808 387860327 /nfs/dbraw/zinc/86/03/27/387860327.db2.gz DALJZUOOVJFSEC-YPMHNXCESA-N 1 3 248.374 1.696 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@H](CCO)c1ccco1 ZINC000423055954 387861988 /nfs/dbraw/zinc/86/19/88/387861988.db2.gz XHFYWTOULOTGIC-VXGBXAGGSA-N 1 3 240.347 1.810 20 0 BDADHO CCC(O)(CC)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000423075496 387874636 /nfs/dbraw/zinc/87/46/36/387874636.db2.gz XCVKOJFQFWWVIE-WDEREUQCSA-N 1 3 216.369 1.643 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H](C)C[C@H](C)N ZINC000423075496 387874640 /nfs/dbraw/zinc/87/46/40/387874640.db2.gz XCVKOJFQFWWVIE-WDEREUQCSA-N 1 3 216.369 1.643 20 0 BDADHO CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423070487 387871249 /nfs/dbraw/zinc/87/12/49/387871249.db2.gz CVBYEHVOZLAHST-IJLUTSLNSA-N 1 3 228.380 1.765 20 0 BDADHO CN(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1N)c1ccco1 ZINC000422963081 387814704 /nfs/dbraw/zinc/81/47/04/387814704.db2.gz HJWWGNGABMDPEG-SDDRHHMPSA-N 1 3 237.347 1.352 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478242 387814923 /nfs/dbraw/zinc/81/49/23/387814923.db2.gz KPPACLWDZOWIML-LSDHHAIUSA-N 1 3 248.370 1.438 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(CO)cc1 ZINC000643478239 387815798 /nfs/dbraw/zinc/81/57/98/387815798.db2.gz KPPACLWDZOWIML-CABCVRRESA-N 1 3 248.370 1.438 20 0 BDADHO C[C@@H]([NH3+])CN1CCN(CC2CCCCC2)CC1 ZINC000442661021 387817767 /nfs/dbraw/zinc/81/77/67/387817767.db2.gz FDGFEAQMLHLWDJ-CYBMUJFWSA-N 1 3 239.407 1.532 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CN ZINC000423101414 387890074 /nfs/dbraw/zinc/89/00/74/387890074.db2.gz CWINPDHIWIHZCO-YVECIDJPSA-N 1 3 226.364 1.376 20 0 BDADHO N[C@H]1CCCCC[C@@H]1[NH2+][C@H]1C[C@@H]1C(F)F ZINC000423106965 387890533 /nfs/dbraw/zinc/89/05/33/387890533.db2.gz KCLPLUZRKUMGRI-XKNYDFJKSA-N 1 3 218.291 1.890 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423108419 387893768 /nfs/dbraw/zinc/89/37/68/387893768.db2.gz MDGQSNCNFDWQMA-XJFOESAGSA-N 1 3 240.391 1.766 20 0 BDADHO C[N@H+](CCCN1CCCCC1)C1CC(O)C1 ZINC000444634242 387895513 /nfs/dbraw/zinc/89/55/13/387895513.db2.gz XZPYKJHSRSXXHP-UHFFFAOYSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@@H+](CCCN1CCCCC1)C1CC(O)C1 ZINC000444634242 387895517 /nfs/dbraw/zinc/89/55/17/387895517.db2.gz XZPYKJHSRSXXHP-UHFFFAOYSA-N 1 3 226.364 1.318 20 0 BDADHO OCC[C@@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000444627447 387895869 /nfs/dbraw/zinc/89/58/69/387895869.db2.gz AGRVRQUSKUVPJG-AWEZNQCLSA-N 1 3 240.391 1.709 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423117904 387898059 /nfs/dbraw/zinc/89/80/59/387898059.db2.gz XTIWEDPJXXDWRD-QJPTWQEYSA-N 1 3 246.420 1.472 20 0 BDADHO CCOC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000423076432 387876030 /nfs/dbraw/zinc/87/60/30/387876030.db2.gz ZECDIXCOFSMUQU-QNMSZWNNSA-N 1 3 240.391 1.920 20 0 BDADHO CCNC(=O)C1(CN[C@H](C)C[C@@H](C)[NH3+])CCC1 ZINC000423081221 387876277 /nfs/dbraw/zinc/87/62/77/387876277.db2.gz UQXLBKQMVNWPBB-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423082934 387877828 /nfs/dbraw/zinc/87/78/28/387877828.db2.gz FHGUHLBZIBCYAX-HZSPNIEDSA-N 1 3 241.423 1.966 20 0 BDADHO CC(C)(C)CC[C@@H](CO)[NH2+]C1CCNCC1 ZINC000423097013 387886686 /nfs/dbraw/zinc/88/66/86/387886686.db2.gz QJDJPRNZXGNSNA-LBPRGKRZSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(C)CC[C@@H](CO)NC1CC[NH2+]CC1 ZINC000423097013 387886689 /nfs/dbraw/zinc/88/66/89/387886689.db2.gz QJDJPRNZXGNSNA-LBPRGKRZSA-N 1 3 228.380 1.515 20 0 BDADHO COCC(C)(C)CCC[NH2+][C@@H](C)C1CNC1 ZINC000423124502 387903118 /nfs/dbraw/zinc/90/31/18/387903118.db2.gz MOUDVSGDGIXJJU-NSHDSACASA-N 1 3 228.380 1.637 20 0 BDADHO COc1ncccc1CCN[C@H](C)C[C@H](C)[NH3+] ZINC000423139032 387915723 /nfs/dbraw/zinc/91/57/23/387915723.db2.gz JZWXPBDPEXRWAH-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO COc1ncccc1CC[NH2+][C@H](C)C[C@H](C)N ZINC000423139032 387915727 /nfs/dbraw/zinc/91/57/27/387915727.db2.gz JZWXPBDPEXRWAH-WDEREUQCSA-N 1 3 237.347 1.348 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000423151251 387929436 /nfs/dbraw/zinc/92/94/36/387929436.db2.gz CEZKPZRAOFFUHZ-MROQNXINSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423156823 387936276 /nfs/dbraw/zinc/93/62/76/387936276.db2.gz LQJWBEFMQNKYAY-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])OC ZINC000423144169 387920870 /nfs/dbraw/zinc/92/08/70/387920870.db2.gz GFGWTFPZTBVXAY-FVCCEPFGSA-N 1 3 244.379 1.143 20 0 BDADHO COCC1(C[NH2+][C@H](C)C2CNC2)CCCCC1 ZINC000423143622 387921321 /nfs/dbraw/zinc/92/13/21/387921321.db2.gz XOXWERBVHFPLOF-GFCCVEGCSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@@H](N[C@@H](C)CCCCO)[C@@H]1CCC[NH2+]1 ZINC000423150247 387927016 /nfs/dbraw/zinc/92/70/16/387927016.db2.gz BIPIUBGHQBRGOX-XQQFMLRXSA-N 1 3 228.380 1.658 20 0 BDADHO CC[C@@H]([NH2+][C@@H](C)CCCCO)[C@@H]1CCCN1 ZINC000423150247 387927018 /nfs/dbraw/zinc/92/70/18/387927018.db2.gz BIPIUBGHQBRGOX-XQQFMLRXSA-N 1 3 228.380 1.658 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423168118 387952402 /nfs/dbraw/zinc/95/24/02/387952402.db2.gz GSZUAXDHCUFGQU-RYMFRWLXSA-N 1 3 240.391 1.763 20 0 BDADHO CC(C)C[C@@H]1C[C@H]1N[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423168118 387952404 /nfs/dbraw/zinc/95/24/04/387952404.db2.gz GSZUAXDHCUFGQU-RYMFRWLXSA-N 1 3 240.391 1.763 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000424226349 387939775 /nfs/dbraw/zinc/93/97/75/387939775.db2.gz RNKKRBOGGLKJDF-GFCCVEGCSA-N 1 3 247.342 1.534 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOCC1CCCC1 ZINC000423161827 387942733 /nfs/dbraw/zinc/94/27/33/387942733.db2.gz JTMZIVQVNNQEEW-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO CCC1(CN[C@@H]2C[NH2+]CC[C@@H]2C)COC1 ZINC000423161655 387944290 /nfs/dbraw/zinc/94/42/90/387944290.db2.gz NYKBXEYBBBKEKD-WDEREUQCSA-N 1 3 212.337 1.001 20 0 BDADHO Cc1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)nc1 ZINC000423165770 387947807 /nfs/dbraw/zinc/94/78/07/387947807.db2.gz QHEJUOSMWYLQDF-ZFWWWQNUSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)nc1 ZINC000423165770 387947812 /nfs/dbraw/zinc/94/78/12/387947812.db2.gz QHEJUOSMWYLQDF-ZFWWWQNUSA-N 1 3 247.386 1.910 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1COCC1(C)C ZINC000423165773 387948561 /nfs/dbraw/zinc/94/85/61/387948561.db2.gz UVKIQGBMDJXDRF-LPEHRKFASA-N 1 3 200.326 1.127 20 0 BDADHO CCOC(=O)CCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245452611 387949405 /nfs/dbraw/zinc/94/94/05/387949405.db2.gz QLYVITMIJBGUAO-RYUDHWBXSA-N 1 3 242.363 1.354 20 0 BDADHO CCOC(=O)CCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245452611 387949408 /nfs/dbraw/zinc/94/94/08/387949408.db2.gz QLYVITMIJBGUAO-RYUDHWBXSA-N 1 3 242.363 1.354 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCN2CC=CCC2)C1 ZINC000392280705 387950158 /nfs/dbraw/zinc/95/01/58/387950158.db2.gz HOMAEYQOLUUERF-STQMWFEESA-N 1 3 223.364 1.108 20 0 BDADHO CC[C@H](C)[C@H](CN[C@@H](C)C1C[NH2+]C1)OC ZINC000423165958 387951054 /nfs/dbraw/zinc/95/10/54/387951054.db2.gz YNEXBUJWVGZDMM-NHCYSSNCSA-N 1 3 214.353 1.245 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@@H](C)C1CNC1)OC ZINC000423165958 387951058 /nfs/dbraw/zinc/95/10/58/387951058.db2.gz YNEXBUJWVGZDMM-NHCYSSNCSA-N 1 3 214.353 1.245 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)C12CCC2 ZINC000423172849 387959641 /nfs/dbraw/zinc/95/96/41/387959641.db2.gz VQJRZUFFRKIGOZ-ZDEQEGDKSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423176492 387961725 /nfs/dbraw/zinc/96/17/25/387961725.db2.gz GCQWOMJNJXVTCQ-ITGHMWBKSA-N 1 3 240.391 1.920 20 0 BDADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](O)C(C)C ZINC000423179210 387966537 /nfs/dbraw/zinc/96/65/37/387966537.db2.gz JFEZYOUJDDYFBG-YJBUHQLJSA-N 1 3 240.391 1.655 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CCCN)C1(CC)CC ZINC000423184364 387970193 /nfs/dbraw/zinc/97/01/93/387970193.db2.gz IMMOBDLHSFRARB-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH3+])C1(CC)CC ZINC000423184364 387970196 /nfs/dbraw/zinc/97/01/96/387970196.db2.gz IMMOBDLHSFRARB-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H](NCCN1CCCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000423170395 387957349 /nfs/dbraw/zinc/95/73/49/387957349.db2.gz XYFMNDQJRZYKBO-STQMWFEESA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](NCCC[NH3+])c1cccc(CO)c1 ZINC000423195182 387979159 /nfs/dbraw/zinc/97/91/59/387979159.db2.gz SLTQEZOSZAJJKW-JTQLQIEISA-N 1 3 208.305 1.178 20 0 BDADHO CC[C@H](NC[C@@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188863 387973639 /nfs/dbraw/zinc/97/36/39/387973639.db2.gz QRIQWRFYRWXHDV-QMVSFRDZSA-N 1 3 240.391 1.920 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCN1 ZINC000423188863 387973644 /nfs/dbraw/zinc/97/36/44/387973644.db2.gz QRIQWRFYRWXHDV-QMVSFRDZSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000423192312 387977954 /nfs/dbraw/zinc/97/79/54/387977954.db2.gz ULXTXPUJQBAINX-HTFCKZLJSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000423192313 387977965 /nfs/dbraw/zinc/97/79/65/387977965.db2.gz ULXTXPUJQBAINX-NGDQXYMTSA-N 1 3 214.353 1.515 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423202604 387988364 /nfs/dbraw/zinc/98/83/64/387988364.db2.gz BCUPMWWTDATXNN-RDBSUJKOSA-N 1 3 240.391 1.781 20 0 BDADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCNC ZINC000423202810 387989311 /nfs/dbraw/zinc/98/93/11/387989311.db2.gz RFEGVYBWHIDXAH-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423214326 387997642 /nfs/dbraw/zinc/99/76/42/387997642.db2.gz OQDYPNZMAIBJBW-AGIUHOORSA-N 1 3 237.391 1.201 20 0 BDADHO CCN1C[C@@H](C)[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000423216106 387997978 /nfs/dbraw/zinc/99/79/78/387997978.db2.gz PLCPOCSXHZXXPX-YIPFDTCYSA-N 1 3 237.391 1.199 20 0 BDADHO C[C@H](NCC[NH3+])C(C)(C)c1ccccc1 ZINC000420399397 387999690 /nfs/dbraw/zinc/99/96/90/387999690.db2.gz HPISXMKSLPSDHP-NSHDSACASA-N 1 3 206.333 1.901 20 0 BDADHO COCC1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000423216682 388000243 /nfs/dbraw/zinc/00/02/43/388000243.db2.gz SIYPXOCICBONMX-ROKHWSDSSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423226416 388009595 /nfs/dbraw/zinc/00/95/95/388009595.db2.gz QPZRDRRWOQUKMS-QCNOEVLYSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000423226416 388009597 /nfs/dbraw/zinc/00/95/97/388009597.db2.gz QPZRDRRWOQUKMS-QCNOEVLYSA-N 1 3 226.364 1.517 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]C[C@H](C)COC)C1 ZINC000309671745 388010418 /nfs/dbraw/zinc/01/04/18/388010418.db2.gz WFZZUAOJLDDSHW-STQMWFEESA-N 1 3 228.380 1.590 20 0 BDADHO N[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)c1ccccc1 ZINC000423240269 388024493 /nfs/dbraw/zinc/02/44/93/388024493.db2.gz BZQYNUFNUGMWEQ-RBSFLKMASA-N 1 3 247.386 1.936 20 0 BDADHO N[C@H](CN[C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000423240269 388024496 /nfs/dbraw/zinc/02/44/96/388024496.db2.gz BZQYNUFNUGMWEQ-RBSFLKMASA-N 1 3 247.386 1.936 20 0 BDADHO N[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1N)c1ccccc1 ZINC000423240270 388024635 /nfs/dbraw/zinc/02/46/35/388024635.db2.gz BZQYNUFNUGMWEQ-RRFJBIMHSA-N 1 3 247.386 1.936 20 0 BDADHO N[C@H](CN[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000423240270 388024639 /nfs/dbraw/zinc/02/46/39/388024639.db2.gz BZQYNUFNUGMWEQ-RRFJBIMHSA-N 1 3 247.386 1.936 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453227606 388016026 /nfs/dbraw/zinc/01/60/26/388016026.db2.gz RVYBMIAMOGVKQZ-CQSZACIVSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@H]1CCCF ZINC000423238051 388022082 /nfs/dbraw/zinc/02/20/82/388022082.db2.gz DVQQKYADCGLPBC-WDEREUQCSA-N 1 3 202.317 1.714 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](N)c1ccccc1 ZINC000423238392 388022126 /nfs/dbraw/zinc/02/21/26/388022126.db2.gz ADEASRPINKRBQP-BNOWGMLFSA-N 1 3 233.359 1.274 20 0 BDADHO CC[NH2+]CCN[C@H](CC)[C@H]1CCOC1 ZINC000423252504 388033458 /nfs/dbraw/zinc/03/34/58/388033458.db2.gz XSAWHABLTXVZPG-WDEREUQCSA-N 1 3 200.326 1.001 20 0 BDADHO CC[NH2+]CCN[C@@H](CC)[C@@H]1CCOC1 ZINC000423252502 388034491 /nfs/dbraw/zinc/03/44/91/388034491.db2.gz XSAWHABLTXVZPG-MNOVXSKESA-N 1 3 200.326 1.001 20 0 BDADHO Cc1n[nH]cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884019 388042272 /nfs/dbraw/zinc/04/22/72/388042272.db2.gz KZXZGLKOXYWMLX-UHFFFAOYSA-N 1 3 248.374 1.682 20 0 BDADHO CNC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423265450 388043873 /nfs/dbraw/zinc/04/38/73/388043873.db2.gz RCMJRQPTNSKTIZ-PWSUYJOCSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CNC)[C@@H]1CCOC1 ZINC000423266097 388044245 /nfs/dbraw/zinc/04/42/45/388044245.db2.gz CTBUPHSHZMZNSS-TUAOUCFPSA-N 1 3 214.353 1.247 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425397 388053013 /nfs/dbraw/zinc/05/30/13/388053013.db2.gz MFWFTJOMEKSMBP-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000083425398 388053268 /nfs/dbraw/zinc/05/32/68/388053268.db2.gz MFWFTJOMEKSMBP-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000423285314 388069016 /nfs/dbraw/zinc/06/90/16/388069016.db2.gz ZINLJTWXOLGYCA-TUAOUCFPSA-N 1 3 216.344 1.960 20 0 BDADHO COc1ccc2c(c1)[C@H](NC[C@@H](C)C[NH3+])CC2 ZINC000423297148 388078231 /nfs/dbraw/zinc/07/82/31/388078231.db2.gz IYSDTCSNJZVZMQ-IINYFYTJSA-N 1 3 234.343 1.867 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCCCC[C@H]1N ZINC000423297775 388079411 /nfs/dbraw/zinc/07/94/11/388079411.db2.gz LUZRTBNYJCMJHA-UPJWGTAASA-N 1 3 227.396 1.754 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423297368 388080272 /nfs/dbraw/zinc/08/02/72/388080272.db2.gz KAJOYTAACUWRRW-XQHKEYJVSA-N 1 3 238.375 1.519 20 0 BDADHO C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000447584668 388080740 /nfs/dbraw/zinc/08/07/40/388080740.db2.gz GPPPMNJJMCTWBZ-APYLGABCSA-N 1 3 237.391 1.151 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403147 388101403 /nfs/dbraw/zinc/10/14/03/388101403.db2.gz FICWTUPZLYAVQX-GRYCIOLGSA-N 1 3 222.336 1.131 20 0 BDADHO C1C[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)CN1 ZINC000086727321 388107583 /nfs/dbraw/zinc/10/75/83/388107583.db2.gz MLBLKCCDCPNQKK-RVARXAPGSA-N 1 3 220.360 1.763 20 0 BDADHO C[NH2+]CCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000086930139 388111207 /nfs/dbraw/zinc/11/12/07/388111207.db2.gz RBPUKRBPGHCNQQ-CHWSQXEVSA-N 1 3 225.380 1.155 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423269134 388048029 /nfs/dbraw/zinc/04/80/29/388048029.db2.gz GREAMFRDGUILDQ-SRVKXCTJSA-N 1 3 225.380 1.057 20 0 BDADHO NC[C@H]([NH2+][C@@H]1CCCc2occc21)C1CC1 ZINC000423268795 388048054 /nfs/dbraw/zinc/04/80/54/388048054.db2.gz DYSIOFPNTCVLJR-NEPJUHHUSA-N 1 3 220.316 1.984 20 0 BDADHO CCOCC[N@H+](C)CCCN1CCCCC1 ZINC000162221569 388128663 /nfs/dbraw/zinc/12/86/63/388128663.db2.gz QCAKRYXSXIVOGO-UHFFFAOYSA-N 1 3 228.380 1.831 20 0 BDADHO CCOCC[N@@H+](C)CCCN1CCCCC1 ZINC000162221569 388128665 /nfs/dbraw/zinc/12/86/65/388128665.db2.gz QCAKRYXSXIVOGO-UHFFFAOYSA-N 1 3 228.380 1.831 20 0 BDADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449122591 388145231 /nfs/dbraw/zinc/14/52/31/388145231.db2.gz MAJFJPASPLJTET-MFKMUULPSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@@H](NC1CC1)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000449129241 388146011 /nfs/dbraw/zinc/14/60/11/388146011.db2.gz URFZSJYFJCJKIA-VHSXEESVSA-N 1 3 247.342 1.785 20 0 BDADHO C[C@H]1[C@@H](CO)CCN1CCC[NH+]1CCCCC1 ZINC000488750521 388193547 /nfs/dbraw/zinc/19/35/47/388193547.db2.gz UMCUWDLYZCPCGF-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000191895193 388241214 /nfs/dbraw/zinc/24/12/14/388241214.db2.gz VADRAAFRJVPMJX-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000191895193 388241216 /nfs/dbraw/zinc/24/12/16/388241216.db2.gz VADRAAFRJVPMJX-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449619007 388244061 /nfs/dbraw/zinc/24/40/61/388244061.db2.gz MWYVHRZQQXHLLS-GXFFZTMASA-N 1 3 249.358 1.718 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C(C)C ZINC000336662691 388261402 /nfs/dbraw/zinc/26/14/02/388261402.db2.gz CPKPLUPSNKASLC-SRVKXCTJSA-N 1 3 214.353 1.245 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000336662691 388261403 /nfs/dbraw/zinc/26/14/03/388261403.db2.gz CPKPLUPSNKASLC-SRVKXCTJSA-N 1 3 214.353 1.245 20 0 BDADHO NC[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261529093 135155368 /nfs/dbraw/zinc/15/53/68/135155368.db2.gz OYCTVCKCAJTAPU-NXEZZACHSA-N 1 3 200.351 1.020 20 0 BDADHO NC[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261529093 135155369 /nfs/dbraw/zinc/15/53/69/135155369.db2.gz OYCTVCKCAJTAPU-NXEZZACHSA-N 1 3 200.351 1.020 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)N[C@@H](C)C[NH3+] ZINC000235151048 388366268 /nfs/dbraw/zinc/36/62/68/388366268.db2.gz WDFMOIFNYMDSMO-ZJUUUORDSA-N 1 3 210.296 1.694 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@@H](OC)C1CC1 ZINC000400282756 388368925 /nfs/dbraw/zinc/36/89/25/388368925.db2.gz RZEHCFKLAMYBGG-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000393374027 388383893 /nfs/dbraw/zinc/38/38/93/388383893.db2.gz IZVMSUUCAJLOKS-OLZOCXBDSA-N 1 3 242.407 1.892 20 0 BDADHO CC(C)[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N(C)C ZINC000646578065 388387866 /nfs/dbraw/zinc/38/78/66/388387866.db2.gz GUIFXTIFFONFJJ-ZDUSSCGKSA-N 1 3 249.358 1.670 20 0 BDADHO C[C@]1(C(=O)Nc2cccc(CN)c2)CC[NH2+]C1 ZINC000646578896 388388564 /nfs/dbraw/zinc/38/85/64/388388564.db2.gz IVWZWHOJQZVVHS-ZDUSSCGKSA-N 1 3 233.315 1.083 20 0 BDADHO C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000237293714 388392675 /nfs/dbraw/zinc/39/26/75/388392675.db2.gz UCGHNQIYDJVCKQ-DGCLKSJQSA-N 1 3 249.358 1.048 20 0 BDADHO N[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300971456 388396654 /nfs/dbraw/zinc/39/66/54/388396654.db2.gz QSYVYOQPJIVBPD-RKDXNWHRSA-N 1 3 204.264 1.455 20 0 BDADHO N[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300971456 388396656 /nfs/dbraw/zinc/39/66/56/388396656.db2.gz QSYVYOQPJIVBPD-RKDXNWHRSA-N 1 3 204.264 1.455 20 0 BDADHO CC(C)(N)C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000572985605 388402371 /nfs/dbraw/zinc/40/23/71/388402371.db2.gz IPIFXUJLPMEOJL-GFCCVEGCSA-N 1 3 219.332 1.583 20 0 BDADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1C[C@H]1C ZINC000397549943 388478752 /nfs/dbraw/zinc/47/87/52/388478752.db2.gz RXQHYUINZMFLIL-IJLUTSLNSA-N 1 3 226.364 1.077 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316687321 388420728 /nfs/dbraw/zinc/42/07/28/388420728.db2.gz ZTKDAIREZQLNGW-XQQFMLRXSA-N 1 3 226.364 1.255 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000397232628 388421456 /nfs/dbraw/zinc/42/14/56/388421456.db2.gz GZPRVMWJPJPFMA-AGIUHOORSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000517177115 388541172 /nfs/dbraw/zinc/54/11/72/388541172.db2.gz WDDIIHURZIEMNI-RTXFEEFZSA-N 1 3 236.363 1.211 20 0 BDADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000517177115 388541176 /nfs/dbraw/zinc/54/11/76/388541176.db2.gz WDDIIHURZIEMNI-RTXFEEFZSA-N 1 3 236.363 1.211 20 0 BDADHO C[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000310433997 388482963 /nfs/dbraw/zinc/48/29/63/388482963.db2.gz NWPVFMDBBWTEIE-YRGRVCCFSA-N 1 3 240.391 1.562 20 0 BDADHO C[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000310433997 388482964 /nfs/dbraw/zinc/48/29/64/388482964.db2.gz NWPVFMDBBWTEIE-YRGRVCCFSA-N 1 3 240.391 1.562 20 0 BDADHO CO[C@H](CN1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000379221212 388600100 /nfs/dbraw/zinc/60/01/00/388600100.db2.gz PVBSCTATORFXQW-TZMCWYRMSA-N 1 3 234.343 1.655 20 0 BDADHO CN(CCN(C)C1CC1)CC[NH+]1CCCCC1 ZINC000186781320 388603882 /nfs/dbraw/zinc/60/38/82/388603882.db2.gz WTHXKXBAWYFENY-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO CC(C)C[C@@H](N)C[NH+]1CCC(CCO)CC1 ZINC000517712625 388557365 /nfs/dbraw/zinc/55/73/65/388557365.db2.gz HWUDDKVXVVMKTI-CYBMUJFWSA-N 1 3 228.380 1.454 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)C(C)C ZINC000362977209 388562703 /nfs/dbraw/zinc/56/27/03/388562703.db2.gz PLKXQJCIYVGDEK-FRRDWIJNSA-N 1 3 228.380 1.765 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000247975817 388671582 /nfs/dbraw/zinc/67/15/82/388671582.db2.gz KUMZSUXRKHXCQF-KBPBESRZSA-N 1 3 241.423 1.648 20 0 BDADHO CO[C@H](C)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000248455870 388681382 /nfs/dbraw/zinc/68/13/82/388681382.db2.gz ZXSAYAPZPNXNSJ-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO CO[C@H](C)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000248455870 388681384 /nfs/dbraw/zinc/68/13/84/388681384.db2.gz ZXSAYAPZPNXNSJ-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO COCCC1CCN([C@@H]2CCC[NH2+]CC2)CC1 ZINC000530206609 388626665 /nfs/dbraw/zinc/62/66/65/388626665.db2.gz AVEGMUUKPQLZGD-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO COCCC1CC[NH+]([C@@H]2CCCNCC2)CC1 ZINC000530206609 388626668 /nfs/dbraw/zinc/62/66/68/388626668.db2.gz AVEGMUUKPQLZGD-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO COCCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000530220623 388632926 /nfs/dbraw/zinc/63/29/26/388632926.db2.gz BFUPUPFKQBXJSB-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO COCCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000530220623 388632927 /nfs/dbraw/zinc/63/29/27/388632927.db2.gz BFUPUPFKQBXJSB-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCOC1 ZINC000530224242 388633815 /nfs/dbraw/zinc/63/38/15/388633815.db2.gz VRERNHRQMRZOTQ-FRRDWIJNSA-N 1 3 238.375 1.676 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000253126114 388804701 /nfs/dbraw/zinc/80/47/01/388804701.db2.gz RCDDHLHRFCIKDH-GRYCIOLGSA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@@H]([C@H](C)N)C1 ZINC000253126114 388804704 /nfs/dbraw/zinc/80/47/04/388804704.db2.gz RCDDHLHRFCIKDH-GRYCIOLGSA-N 1 3 214.353 1.328 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000230062698 388811748 /nfs/dbraw/zinc/81/17/48/388811748.db2.gz UXCBOZMQNSOWME-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000230062698 388811749 /nfs/dbraw/zinc/81/17/49/388811749.db2.gz UXCBOZMQNSOWME-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000230062698 388811751 /nfs/dbraw/zinc/81/17/51/388811751.db2.gz UXCBOZMQNSOWME-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000252709489 388773536 /nfs/dbraw/zinc/77/35/36/388773536.db2.gz CZRYIQJPTUKPFP-HZSPNIEDSA-N 1 3 239.407 1.258 20 0 BDADHO CC1(C)C[N@H+](CCCN2CCCCC2)C[C@@H]1O ZINC000564527344 388877387 /nfs/dbraw/zinc/87/73/87/388877387.db2.gz HFTYLDCIYYCXQI-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC1(C)C[N@@H+](CCCN2CCCCC2)C[C@@H]1O ZINC000564527344 388877390 /nfs/dbraw/zinc/87/73/90/388877390.db2.gz HFTYLDCIYYCXQI-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CCC[C@H](C)[C@H](CO)[NH2+]CC[C@H]1CCCN1C ZINC000565483657 388948650 /nfs/dbraw/zinc/94/86/50/388948650.db2.gz NCSKSVCPWADLJY-MJBXVCDLSA-N 1 3 242.407 1.857 20 0 BDADHO CCNCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000566088392 388984516 /nfs/dbraw/zinc/98/45/16/388984516.db2.gz KSSMMSBVMKSEJF-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000268953779 389005324 /nfs/dbraw/zinc/00/53/24/389005324.db2.gz CVKLPJJDELJCHQ-LLVKDONJSA-N 1 3 238.331 1.387 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000274423381 389047045 /nfs/dbraw/zinc/04/70/45/389047045.db2.gz LWRMCQVZTNEZSZ-UWVGGRQHSA-N 1 3 210.325 1.401 20 0 BDADHO C[C@H](CF)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297491389 132221663 /nfs/dbraw/zinc/22/16/63/132221663.db2.gz TZBOATLMRCMOKK-LLVKDONJSA-N 1 3 237.322 1.998 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CN)C2)CCO1 ZINC000347125388 133805098 /nfs/dbraw/zinc/80/50/98/133805098.db2.gz YFPDQGAISILSDJ-MELADBBJSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CN)C2)CCO1 ZINC000347125388 133805099 /nfs/dbraw/zinc/80/50/99/133805099.db2.gz YFPDQGAISILSDJ-MELADBBJSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@H]([NH2+]CCOCCN(C)C)C1(C)CC1 ZINC000219312614 134281215 /nfs/dbraw/zinc/28/12/15/134281215.db2.gz ZQGZRPKOJGXMOL-NSHDSACASA-N 1 3 214.353 1.343 20 0 BDADHO Cc1ccc(F)cc1CN[C@H](C)CC[NH3+] ZINC000220518721 134309903 /nfs/dbraw/zinc/30/99/03/134309903.db2.gz YVUMIZVXXJVPGK-SNVBAGLBSA-N 1 3 210.296 1.961 20 0 BDADHO C1C[C@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@@H+]2C1 ZINC000178958857 134313814 /nfs/dbraw/zinc/31/38/14/134313814.db2.gz BFROUUUEOMLWIE-ITGHMWBKSA-N 1 3 236.359 1.523 20 0 BDADHO C1C[C@H]2C[C@H](N[C@@H]3C[C@H]4CC[C@@H]3O4)CC[N@H+]2C1 ZINC000178958857 134313815 /nfs/dbraw/zinc/31/38/15/134313815.db2.gz BFROUUUEOMLWIE-ITGHMWBKSA-N 1 3 236.359 1.523 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000223006646 134336215 /nfs/dbraw/zinc/33/62/15/134336215.db2.gz RBNTUYMZLJMOLR-WCQYABFASA-N 1 3 236.363 1.264 20 0 BDADHO C[C@H](CC(=O)OC(C)(C)C)NCCC[NH+](C)C ZINC000183664541 134355360 /nfs/dbraw/zinc/35/53/60/134355360.db2.gz AVRXTTKFLNRMBF-LLVKDONJSA-N 1 3 244.379 1.648 20 0 BDADHO CN(C)CCOCC[NH2+]CC1CCCCC1 ZINC000226744324 134370896 /nfs/dbraw/zinc/37/08/96/134370896.db2.gz QQUABGFUQVEXAW-UHFFFAOYSA-N 1 3 228.380 1.735 20 0 BDADHO CCN1CCC([NH2+][C@@H](C)CN(C)C)CC1 ZINC000130195801 134617154 /nfs/dbraw/zinc/61/71/54/134617154.db2.gz CNFTVEHUUTXACF-NSHDSACASA-N 1 3 213.369 1.010 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000249088650 135031680 /nfs/dbraw/zinc/03/16/80/135031680.db2.gz JUWYQFPONZWPOL-RQJABVFESA-N 1 3 240.391 1.874 20 0 BDADHO c1cn(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250242977 135050809 /nfs/dbraw/zinc/05/08/09/135050809.db2.gz JSJBWTWGXNISNK-KGLIPLIRSA-N 1 3 248.374 1.490 20 0 BDADHO c1cn(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250242977 135050812 /nfs/dbraw/zinc/05/08/12/135050812.db2.gz JSJBWTWGXNISNK-KGLIPLIRSA-N 1 3 248.374 1.490 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCOC2)C1 ZINC000250364204 135052728 /nfs/dbraw/zinc/05/27/28/135052728.db2.gz UMBLDQGRHRINAJ-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCOC2)C1 ZINC000250364204 135052729 /nfs/dbraw/zinc/05/27/29/135052729.db2.gz UMBLDQGRHRINAJ-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCOC2)C1 ZINC000250364204 135052731 /nfs/dbraw/zinc/05/27/31/135052731.db2.gz UMBLDQGRHRINAJ-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251206983 135066582 /nfs/dbraw/zinc/06/65/82/135066582.db2.gz LQJZEYHAOWBMNM-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251206983 135066584 /nfs/dbraw/zinc/06/65/84/135066584.db2.gz LQJZEYHAOWBMNM-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](CCO)C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000251206983 135066587 /nfs/dbraw/zinc/06/65/87/135066587.db2.gz LQJZEYHAOWBMNM-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251424404 135069819 /nfs/dbraw/zinc/06/98/19/135069819.db2.gz QNPCSHOMKHONFJ-MCIONIFRSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251424404 135069820 /nfs/dbraw/zinc/06/98/20/135069820.db2.gz QNPCSHOMKHONFJ-MCIONIFRSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NCCn1ccnc1 ZINC000086495855 135087476 /nfs/dbraw/zinc/08/74/76/135087476.db2.gz UBKLEUNTRNMGMP-VXGBXAGGSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1n[nH]cc1C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000252384989 135087623 /nfs/dbraw/zinc/08/76/23/135087623.db2.gz DORGJFZYOVKMBS-GIPNMCIBSA-N 1 3 236.363 1.536 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252703211 135097895 /nfs/dbraw/zinc/09/78/95/135097895.db2.gz KQNWNHQFQMWAFK-LPWJVIDDSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703211 135097897 /nfs/dbraw/zinc/09/78/97/135097897.db2.gz KQNWNHQFQMWAFK-LPWJVIDDSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@@H]1C[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703211 135097899 /nfs/dbraw/zinc/09/78/99/135097899.db2.gz KQNWNHQFQMWAFK-LPWJVIDDSA-N 1 3 208.349 1.859 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@H]1CCCO1 ZINC000261536798 135109023 /nfs/dbraw/zinc/10/90/23/135109023.db2.gz TUFJUHWCBNOWQW-NOOOWODRSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000261536798 135109024 /nfs/dbraw/zinc/10/90/24/135109024.db2.gz TUFJUHWCBNOWQW-NOOOWODRSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@]1(CNC[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000087255622 135115533 /nfs/dbraw/zinc/11/55/33/135115533.db2.gz CUXPFDNNXSGJPO-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@]1(C[NH2+]C[C@@H]2CCCNC2)CCCO1 ZINC000087255622 135115535 /nfs/dbraw/zinc/11/55/35/135115535.db2.gz CUXPFDNNXSGJPO-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO CS[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000252951551 135117979 /nfs/dbraw/zinc/11/79/79/135117979.db2.gz FCCMTBDJNQJSFL-VWYCJHECSA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000253011995 135119666 /nfs/dbraw/zinc/11/96/66/135119666.db2.gz CWXDTIMBXKHQQS-SRVKXCTJSA-N 1 3 214.353 1.255 20 0 BDADHO C(C1CCOCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669815 135138622 /nfs/dbraw/zinc/13/86/22/135138622.db2.gz IDKFKXPRAGGGPJ-ZDUSSCGKSA-N 1 3 224.348 1.098 20 0 BDADHO [NH3+]C[C@@H]1CCCN1C[C@H]1CCSC1 ZINC000261527746 135151769 /nfs/dbraw/zinc/15/17/69/135151769.db2.gz GRVPJQXRTHZVOF-ZJUUUORDSA-N 1 3 200.351 1.163 20 0 BDADHO C1CC([NH2+][C@@H]2CC3CCC2CC3)CCN1 ZINC000261528493 135153753 /nfs/dbraw/zinc/15/37/53/135153753.db2.gz PKZRKXXSJWYSMY-GCZXYKMCSA-N 1 3 208.349 1.907 20 0 BDADHO [NH3+][C@@H]1CC[C@H]2CN(Cc3cccs3)C[C@H]12 ZINC000261529570 135155767 /nfs/dbraw/zinc/15/57/67/135155767.db2.gz BBGPTALPLNSOEG-ZMLRMANQSA-N 1 3 222.357 1.917 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000261532445 135162872 /nfs/dbraw/zinc/16/28/72/135162872.db2.gz BOEFZLJFFKRPEG-QWHCGFSZSA-N 1 3 226.364 1.520 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOCC1CC1 ZINC000261532445 135162874 /nfs/dbraw/zinc/16/28/74/135162874.db2.gz BOEFZLJFFKRPEG-QWHCGFSZSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1C[C@H](CN2CCOC[C@H]2C)CC[NH2+]1 ZINC000261533240 135164456 /nfs/dbraw/zinc/16/44/56/135164456.db2.gz KMWGHAQLRWSNJM-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CCO1 ZINC000261533989 135165558 /nfs/dbraw/zinc/16/55/58/135165558.db2.gz MUBYGEHTHXMTSC-XQHKEYJVSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCCCO2)CC[C@H]1[NH3+] ZINC000261534101 135166137 /nfs/dbraw/zinc/16/61/37/135166137.db2.gz NBDJCEAGCSTTJY-JHJVBQTASA-N 1 3 226.364 1.615 20 0 BDADHO COc1cccc(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000261535864 135170197 /nfs/dbraw/zinc/17/01/97/135170197.db2.gz PMLPSDMUCDYHGL-NXEZZACHSA-N 1 3 208.305 1.521 20 0 BDADHO CCC1(C[NH2+][C@H]2CCNC2)CCOCC1 ZINC000261536758 135172041 /nfs/dbraw/zinc/17/20/41/135172041.db2.gz SUZGWBIJXNUKBO-NSHDSACASA-N 1 3 212.337 1.145 20 0 BDADHO C[C@@H]1C[C@H]1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000261539342 135178058 /nfs/dbraw/zinc/17/80/58/135178058.db2.gz CEIHLMAIGROKGF-FRRDWIJNSA-N 1 3 208.349 1.718 20 0 BDADHO COCC(C)(C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000261539890 135178403 /nfs/dbraw/zinc/17/84/03/135178403.db2.gz DHHZSGUYUQEVDQ-WDEREUQCSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000261539890 135178405 /nfs/dbraw/zinc/17/84/05/135178405.db2.gz DHHZSGUYUQEVDQ-WDEREUQCSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C1CCOCC1 ZINC000261543242 135184153 /nfs/dbraw/zinc/18/41/53/135184153.db2.gz RZDRSMSCOIAQDU-UBHSHLNASA-N 1 3 240.391 1.909 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cccnc1 ZINC000084193920 135190990 /nfs/dbraw/zinc/19/09/90/135190990.db2.gz SUSLHZBVOQSJOM-NWDGAFQWSA-N 1 3 205.305 1.299 20 0 BDADHO C[C@@H]1CSCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261553208 135192770 /nfs/dbraw/zinc/19/27/70/135192770.db2.gz SIUKBTOPRKZUDD-RYUDHWBXSA-N 1 3 228.405 1.671 20 0 BDADHO COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261575986 135217593 /nfs/dbraw/zinc/21/75/93/135217593.db2.gz NMHLMKPMEAHNDD-NWANDNLSSA-N 1 3 246.354 1.864 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261576865 135218454 /nfs/dbraw/zinc/21/84/54/135218454.db2.gz KQCAVZUWPJXJKO-AVGNSLFASA-N 1 3 228.380 1.645 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1CCOCC1 ZINC000261592024 135232763 /nfs/dbraw/zinc/23/27/63/135232763.db2.gz VRJOJFSEFVCFKC-OLZOCXBDSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000261592384 135232890 /nfs/dbraw/zinc/23/28/90/135232890.db2.gz VUEVQLUBOVSQCW-CYDGBPFRSA-N 1 3 226.364 1.255 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000261547192 135240533 /nfs/dbraw/zinc/24/05/33/135240533.db2.gz LZYIVMFMSZCCCV-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000261547192 135240534 /nfs/dbraw/zinc/24/05/34/135240534.db2.gz LZYIVMFMSZCCCV-JHJVBQTASA-N 1 3 208.349 1.860 20 0 BDADHO CCc1ccc([C@@H]2CNCCN2C[C@@H](C)[NH3+])cc1 ZINC000261689182 135246310 /nfs/dbraw/zinc/24/63/10/135246310.db2.gz IXSCBVLSUWFLKL-DOMZBBRYSA-N 1 3 247.386 1.543 20 0 BDADHO COCC(C)(C)C[N@@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000261782191 135252749 /nfs/dbraw/zinc/25/27/49/135252749.db2.gz FNBZGENQCBBIKH-RYUDHWBXSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)C[N@H+]1CCC[C@H]([C@H](C)N)C1 ZINC000261782191 135252751 /nfs/dbraw/zinc/25/27/51/135252751.db2.gz FNBZGENQCBBIKH-RYUDHWBXSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261782191 135252753 /nfs/dbraw/zinc/25/27/53/135252753.db2.gz FNBZGENQCBBIKH-RYUDHWBXSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@]1(CN2CC[C@@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882888 135260028 /nfs/dbraw/zinc/26/00/28/135260028.db2.gz RINBNJCQOCZPQN-CHWSQXEVSA-N 1 3 224.348 1.098 20 0 BDADHO CCOC[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044559 135275707 /nfs/dbraw/zinc/27/57/07/135275707.db2.gz PNRVUJZZESORPO-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO Cc1ccc(CN2CCC3(C2)CC[NH2+]CC3)nc1 ZINC000262086550 135277721 /nfs/dbraw/zinc/27/77/21/135277721.db2.gz UIRLAJNMXHQSQE-UHFFFAOYSA-N 1 3 245.370 1.966 20 0 BDADHO CN(C[C@@H]1CCCC[C@H]1O)C[C@@]1(C)CC[NH2+]C1 ZINC000262106161 135279320 /nfs/dbraw/zinc/27/93/20/135279320.db2.gz VYTCJJWKTKUKGA-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO CCOC[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262144624 135281215 /nfs/dbraw/zinc/28/12/15/135281215.db2.gz ZKTXBLNUGNXVJE-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO O[C@@H]1CNC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000263258722 135342463 /nfs/dbraw/zinc/34/24/63/135342463.db2.gz QQWMPPBTGVMFSI-AAVRWANBSA-N 1 3 238.375 1.125 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CCCCC1 ZINC000084220869 135468212 /nfs/dbraw/zinc/46/82/12/135468212.db2.gz ZOOOPSILCRNBDZ-QWHCGFSZSA-N 1 3 225.380 1.189 20 0 BDADHO CC(C)[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348257871 135485259 /nfs/dbraw/zinc/48/52/59/135485259.db2.gz TZCBCYMSDIAWRP-IHRRRGAJSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348257871 135485261 /nfs/dbraw/zinc/48/52/61/135485261.db2.gz TZCBCYMSDIAWRP-IHRRRGAJSA-N 1 3 240.391 1.467 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000348157205 136040608 /nfs/dbraw/zinc/04/06/08/136040608.db2.gz FHDZAQISDWSKHF-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO CO[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226436349 397966533 /nfs/dbraw/zinc/96/65/33/397966533.db2.gz SBMKYFRDUKQKNM-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226436349 397966535 /nfs/dbraw/zinc/96/65/35/397966535.db2.gz SBMKYFRDUKQKNM-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226436349 397966536 /nfs/dbraw/zinc/96/65/36/397966536.db2.gz SBMKYFRDUKQKNM-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)CN2)c2ccccc21 ZINC000643538210 397920013 /nfs/dbraw/zinc/92/00/13/397920013.db2.gz BOMSYCBCOSAPIN-DUBDDPSESA-N 1 3 249.333 1.421 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCCN2C)[C@H](C)CN1C ZINC000649572918 397964514 /nfs/dbraw/zinc/96/45/14/397964514.db2.gz NGTRDOBUJWEZMB-JHJVBQTASA-N 1 3 225.380 1.105 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C)[C@H](C)CN1C ZINC000649572918 397964518 /nfs/dbraw/zinc/96/45/18/397964518.db2.gz NGTRDOBUJWEZMB-JHJVBQTASA-N 1 3 225.380 1.105 20 0 BDADHO CC[C@H]1CN(CC)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649622766 398006521 /nfs/dbraw/zinc/00/65/21/398006521.db2.gz UFMBOEIMQBBJAV-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@H]1CN(CC)CCN1C[C@H]1CCC[N@H+]1C ZINC000649622766 398006523 /nfs/dbraw/zinc/00/65/23/398006523.db2.gz UFMBOEIMQBBJAV-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO Cc1cncc([C@H](C)[NH2+]CCCN(C)C)c1 ZINC000184252023 398013989 /nfs/dbraw/zinc/01/39/89/398013989.db2.gz PJEVNDWGVYQYGI-LBPRGKRZSA-N 1 3 221.348 1.992 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCSC1)[C@H]1CCCNC1 ZINC000414826317 398047956 /nfs/dbraw/zinc/04/79/56/398047956.db2.gz VKXYNGYQWWFFLD-SRVKXCTJSA-N 1 3 228.405 1.717 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCSC1)[C@H]1CCCNC1 ZINC000414826319 398048105 /nfs/dbraw/zinc/04/81/05/398048105.db2.gz VKXYNGYQWWFFLD-TUAOUCFPSA-N 1 3 228.405 1.717 20 0 BDADHO CC(C)[C@@H]([NH3+])CNC1Cc2ccccc2C1 ZINC000414792114 398038940 /nfs/dbraw/zinc/03/89/40/398038940.db2.gz IQBRHZICJCMWFH-AWEZNQCLSA-N 1 3 218.344 1.727 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCc1ccc2c(c1)COC2 ZINC000414792304 398039591 /nfs/dbraw/zinc/03/95/91/398039591.db2.gz CCCVVFGBYFONNQ-SWLSCSKDSA-N 1 3 246.354 1.934 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@H](OC)C1CC1 ZINC000400282759 398122584 /nfs/dbraw/zinc/12/25/84/398122584.db2.gz RZEHCFKLAMYBGG-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000414979680 398134340 /nfs/dbraw/zinc/13/43/40/398134340.db2.gz OGLPLPZFHLDHIF-NSHDSACASA-N 1 3 218.304 1.390 20 0 BDADHO CC(C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000037482876 167101720 /nfs/dbraw/zinc/10/17/20/167101720.db2.gz MANSBMMQUFKIJX-BETUJISGSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)OCCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000336679604 167216860 /nfs/dbraw/zinc/21/68/60/167216860.db2.gz ALMQLIAUOJWWLK-NWDGAFQWSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228477539 167237663 /nfs/dbraw/zinc/23/76/63/167237663.db2.gz ZGCLQYZWMKLWDW-YNEHKIRRSA-N 1 3 226.364 1.471 20 0 BDADHO Cc1ccccc1OCCC[NH2+]CCCN ZINC000349144897 487596647 /nfs/dbraw/zinc/59/66/47/487596647.db2.gz QTCGZSFYFAYYCC-UHFFFAOYSA-N 1 3 222.332 1.702 20 0 BDADHO Cc1ccccc1OCCCNCCC[NH3+] ZINC000349144897 487596656 /nfs/dbraw/zinc/59/66/56/487596656.db2.gz QTCGZSFYFAYYCC-UHFFFAOYSA-N 1 3 222.332 1.702 20 0 BDADHO CC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662251668 409548524 /nfs/dbraw/zinc/54/85/24/409548524.db2.gz DGVMTWQGCAXHSW-NWDGAFQWSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662251668 409548533 /nfs/dbraw/zinc/54/85/33/409548533.db2.gz DGVMTWQGCAXHSW-NWDGAFQWSA-N 1 3 224.348 1.382 20 0 BDADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H](C)C(C)C ZINC000662255360 409551763 /nfs/dbraw/zinc/55/17/63/409551763.db2.gz YCKLKMIIRRFKMF-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H](C)C(C)C ZINC000662255360 409551772 /nfs/dbraw/zinc/55/17/72/409551772.db2.gz YCKLKMIIRRFKMF-OLZOCXBDSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255576 409552707 /nfs/dbraw/zinc/55/27/07/409552707.db2.gz FCNKCJWNJKJXFH-IJLUTSLNSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255576 409552713 /nfs/dbraw/zinc/55/27/13/409552713.db2.gz FCNKCJWNJKJXFH-IJLUTSLNSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282557 409606961 /nfs/dbraw/zinc/60/69/61/409606961.db2.gz CFLYARCHRNWRHZ-UJPOAAIJSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282557 409606967 /nfs/dbraw/zinc/60/69/67/409606967.db2.gz CFLYARCHRNWRHZ-UJPOAAIJSA-N 1 3 208.349 1.844 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662282557 409606973 /nfs/dbraw/zinc/60/69/73/409606973.db2.gz CFLYARCHRNWRHZ-UJPOAAIJSA-N 1 3 208.349 1.844 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@H]1CC1(C)C ZINC000662344745 409656156 /nfs/dbraw/zinc/65/61/56/409656156.db2.gz SEGIGUAZJDSJQB-VXGBXAGGSA-N 1 3 228.380 1.277 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CC1(C)C ZINC000662344745 409656160 /nfs/dbraw/zinc/65/61/60/409656160.db2.gz SEGIGUAZJDSJQB-VXGBXAGGSA-N 1 3 228.380 1.277 20 0 BDADHO C[C@@]1(CN[C@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714988 410347095 /nfs/dbraw/zinc/34/70/95/410347095.db2.gz KLGBGXKZIMYQKT-UKRRQHHQSA-N 1 3 245.370 1.612 20 0 BDADHO Cn1ncc(Cl)c1CNCCC1(C[NH3+])CC1 ZINC000650714336 410348368 /nfs/dbraw/zinc/34/83/68/410348368.db2.gz ZDIZGXLPSFUFQY-UHFFFAOYSA-N 1 3 242.754 1.292 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CNc2ccccc2C1 ZINC000650748121 410387529 /nfs/dbraw/zinc/38/75/29/410387529.db2.gz NMWYUQGGODIFNW-GUTXKFCHSA-N 1 3 245.370 1.740 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CNc2ccccc2C1 ZINC000650748121 410387534 /nfs/dbraw/zinc/38/75/34/410387534.db2.gz NMWYUQGGODIFNW-GUTXKFCHSA-N 1 3 245.370 1.740 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCSCC1 ZINC000309259416 410667440 /nfs/dbraw/zinc/66/74/40/410667440.db2.gz OVVBCUKMNMSSOI-LBPRGKRZSA-N 1 3 246.420 1.126 20 0 BDADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCSCC1 ZINC000309259416 410667445 /nfs/dbraw/zinc/66/74/45/410667445.db2.gz OVVBCUKMNMSSOI-LBPRGKRZSA-N 1 3 246.420 1.126 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(N)c1 ZINC000665232940 410723501 /nfs/dbraw/zinc/72/35/01/410723501.db2.gz YBINCJXNKAFNAZ-ZLKJLUDKSA-N 1 3 249.358 1.111 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCC2)[C@@H](C)O1 ZINC000665246266 410728961 /nfs/dbraw/zinc/72/89/61/410728961.db2.gz AKKRYKHEFRCVEL-GMTAPVOTSA-N 1 3 212.337 1.413 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000393952846 410772213 /nfs/dbraw/zinc/77/22/13/410772213.db2.gz QVWZUXRWDWVGIJ-SDDRHHMPSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000653299417 410818607 /nfs/dbraw/zinc/81/86/07/410818607.db2.gz SUAAUWQMZRGCLT-MFKMUULPSA-N 1 3 219.332 1.580 20 0 BDADHO CC(C)OCCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000336755195 167216566 /nfs/dbraw/zinc/21/65/66/167216566.db2.gz XOEAUCIAGXASMI-NEPJUHHUSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000360566903 167217200 /nfs/dbraw/zinc/21/72/00/167217200.db2.gz BNWRVRDTIHVREJ-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO COC[C@H](NCCC[NH2+]C(C)C)C1CC1 ZINC000398034282 410940366 /nfs/dbraw/zinc/94/03/66/410940366.db2.gz MNHIZVROGFUEHZ-LBPRGKRZSA-N 1 3 214.353 1.389 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H](CO)CCF)[C@H](C)C1 ZINC000652019086 410999730 /nfs/dbraw/zinc/99/97/30/410999730.db2.gz JIYCNMMVPJLCQP-UTUOFQBUSA-N 1 3 232.343 1.027 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H](CO)CCF)[C@H](C)C1 ZINC000652019086 410999732 /nfs/dbraw/zinc/99/97/32/410999732.db2.gz JIYCNMMVPJLCQP-UTUOFQBUSA-N 1 3 232.343 1.027 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000651864885 411147942 /nfs/dbraw/zinc/14/79/42/411147942.db2.gz HXGVCHPODZXCEK-ZIAGYGMSSA-N 1 3 242.407 1.979 20 0 BDADHO Cc1ncc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000400995665 411168372 /nfs/dbraw/zinc/16/83/72/411168372.db2.gz IQHHZJHJIRFEEI-GRYCIOLGSA-N 1 3 235.331 1.461 20 0 BDADHO CCn1ccnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401087744 411176605 /nfs/dbraw/zinc/17/66/05/411176605.db2.gz SBMAOSJQRSNPGX-YNEHKIRRSA-N 1 3 248.374 1.381 20 0 BDADHO C[C@@H](CN[C@H]1COC2(CCC2)C1)C[NH+](C)C ZINC000658019006 411199742 /nfs/dbraw/zinc/19/97/42/411199742.db2.gz WAHDMXJENSNGDB-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000656198437 411203314 /nfs/dbraw/zinc/20/33/14/411203314.db2.gz VOQWKGCNKIUMJA-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCC2(CO)CCC2)C1 ZINC000656198437 411203316 /nfs/dbraw/zinc/20/33/16/411203316.db2.gz VOQWKGCNKIUMJA-WDEREUQCSA-N 1 3 212.337 1.009 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000656199948 411203990 /nfs/dbraw/zinc/20/39/90/411203990.db2.gz GYTGKKHCDSMHPF-QWRGUYRKSA-N 1 3 212.337 1.130 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000656199859 411204026 /nfs/dbraw/zinc/20/40/26/411204026.db2.gz AJUDAMUXWWYKJY-YFKTTZPYSA-N 1 3 212.337 1.413 20 0 BDADHO COCC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000656200301 411204621 /nfs/dbraw/zinc/20/46/21/411204621.db2.gz LCZWVSOWULDRMM-VXGBXAGGSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@@H](C)C1C[NH2+]C1 ZINC000656201065 411206275 /nfs/dbraw/zinc/20/62/75/411206275.db2.gz JHSSBYKNZIFHDQ-MNOVXSKESA-N 1 3 219.332 1.210 20 0 BDADHO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)C1CNC1 ZINC000656201065 411206277 /nfs/dbraw/zinc/20/62/77/411206277.db2.gz JHSSBYKNZIFHDQ-MNOVXSKESA-N 1 3 219.332 1.210 20 0 BDADHO CCO[C@@H]1CN(CCCCCOC)C[C@H]1C[NH3+] ZINC000652356908 411215150 /nfs/dbraw/zinc/21/51/50/411215150.db2.gz PFDZQVQOHACAOZ-CHWSQXEVSA-N 1 3 244.379 1.099 20 0 BDADHO CC(C)N(C[C@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000660079948 411221142 /nfs/dbraw/zinc/22/11/42/411221142.db2.gz VCRLERWNSBHSQU-CQSZACIVSA-N 1 3 242.407 1.950 20 0 BDADHO CC(C)N(C[C@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000660079948 411221145 /nfs/dbraw/zinc/22/11/45/411221145.db2.gz VCRLERWNSBHSQU-CQSZACIVSA-N 1 3 242.407 1.950 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCNc1ccccn1 ZINC000422827714 411233768 /nfs/dbraw/zinc/23/37/68/411233768.db2.gz FFKTWYGSQYGRLW-OLZOCXBDSA-N 1 3 248.374 1.471 20 0 BDADHO C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000423173586 411236529 /nfs/dbraw/zinc/23/65/29/411236529.db2.gz ZGYOWLUECJAZIS-UJPOAAIJSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCN1 ZINC000423173586 411236531 /nfs/dbraw/zinc/23/65/31/411236531.db2.gz ZGYOWLUECJAZIS-UJPOAAIJSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1CNC[C@@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000401652068 411272865 /nfs/dbraw/zinc/27/28/65/411272865.db2.gz QMEKOWRQBAXDHE-AEGPPILISA-N 1 3 248.370 1.178 20 0 BDADHO C[C@H]1CNC[C@H]([NH2+][C@@H](CO)Cc2ccccc2)C1 ZINC000401652069 411273019 /nfs/dbraw/zinc/27/30/19/411273019.db2.gz QMEKOWRQBAXDHE-BPLDGKMQSA-N 1 3 248.370 1.178 20 0 BDADHO CC[NH+]1CCC(NCCO[C@@H]2CC2(F)F)CC1 ZINC000658167517 411278539 /nfs/dbraw/zinc/27/85/39/411278539.db2.gz UWGSDJTUVBUAHM-LLVKDONJSA-N 1 3 248.317 1.485 20 0 BDADHO CCC(CC)N(CCOC)C[C@H]1CC[NH2+]C1 ZINC000051889831 411285741 /nfs/dbraw/zinc/28/57/41/411285741.db2.gz GJFUWDRHWYGBOE-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1CNC[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC000401717636 411299278 /nfs/dbraw/zinc/29/92/78/411299278.db2.gz BXQDFEWQTLSWHH-ZFWWWQNUSA-N 1 3 248.370 1.791 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCC2(C1)CCOCC2 ZINC000303392199 411317948 /nfs/dbraw/zinc/31/79/48/411317948.db2.gz WPIKFOVXOVNTRC-GFCCVEGCSA-N 1 3 224.348 1.098 20 0 BDADHO CC(C)(C)N1CCC([NH2+]C/C=C\CO)CC1 ZINC000658134484 411259633 /nfs/dbraw/zinc/25/96/33/411259633.db2.gz RCFXUADZTLMPMD-PLNGDYQASA-N 1 3 226.364 1.387 20 0 BDADHO CC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000404068220 411374206 /nfs/dbraw/zinc/37/42/06/411374206.db2.gz LCVFLMYDEZISJP-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CCOC[C@@H](C)[NH2+]CC1(N)CCCC1 ZINC000656789541 411369471 /nfs/dbraw/zinc/36/94/71/411369471.db2.gz PVADMBAOJHJPLB-SNVBAGLBSA-N 1 3 200.326 1.273 20 0 BDADHO CC[N@@H+]1CC[C@@H](N[C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330360 411338260 /nfs/dbraw/zinc/33/82/60/411338260.db2.gz CXUQZWGXELNXBP-LPWJVIDDSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@@H](N[C@@H]2C[C@]2(C)OC)[C@H](C)C1 ZINC000658330360 411338262 /nfs/dbraw/zinc/33/82/62/411338262.db2.gz CXUQZWGXELNXBP-LPWJVIDDSA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)(N)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000656791882 411372164 /nfs/dbraw/zinc/37/21/64/411372164.db2.gz LPSNPUJDPAWHTN-JTQLQIEISA-N 1 3 202.317 1.795 20 0 BDADHO CC(C)(N)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000656791882 411372166 /nfs/dbraw/zinc/37/21/66/411372166.db2.gz LPSNPUJDPAWHTN-JTQLQIEISA-N 1 3 202.317 1.795 20 0 BDADHO C[C@@H](O)CCCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665076 411377189 /nfs/dbraw/zinc/37/71/89/411377189.db2.gz TZMVRWAJJYYAOP-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](O)CCCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665076 411377191 /nfs/dbraw/zinc/37/71/91/411377191.db2.gz TZMVRWAJJYYAOP-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CC1CC[NH+](CC2CCN(CCO)CC2)CC1 ZINC000363429686 168179237 /nfs/dbraw/zinc/17/92/37/168179237.db2.gz POBALUYRBCNSSV-UHFFFAOYSA-N 1 3 240.391 1.423 20 0 BDADHO CCOCC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404309029 411389974 /nfs/dbraw/zinc/38/99/74/411389974.db2.gz JMNPKXJPFYBAKE-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000404309029 411389976 /nfs/dbraw/zinc/38/99/76/411389976.db2.gz JMNPKXJPFYBAKE-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO CCOCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404309029 411389980 /nfs/dbraw/zinc/38/99/80/411389980.db2.gz JMNPKXJPFYBAKE-VXGBXAGGSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@H]1CCC[N@H+](CCCF)[C@H]1CCN ZINC000404305402 411390100 /nfs/dbraw/zinc/39/01/00/411390100.db2.gz RUMMUZWIUMSQLP-QWRGUYRKSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1CCC[N@@H+](CCCF)[C@H]1CCN ZINC000404305402 411390103 /nfs/dbraw/zinc/39/01/03/411390103.db2.gz RUMMUZWIUMSQLP-QWRGUYRKSA-N 1 3 202.317 1.795 20 0 BDADHO C[C@H]1CCCN(CCCF)[C@H]1CC[NH3+] ZINC000404305402 411390106 /nfs/dbraw/zinc/39/01/06/411390106.db2.gz RUMMUZWIUMSQLP-QWRGUYRKSA-N 1 3 202.317 1.795 20 0 BDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)CN(C)C ZINC000346285341 168301518 /nfs/dbraw/zinc/30/15/18/168301518.db2.gz YNSWBCDCQLWJRW-GHMZBOCLSA-N 1 3 243.395 1.219 20 0 BDADHO CC(C)O[C@H]1CCCN(CCC[NH3+])C1 ZINC000404800224 411408035 /nfs/dbraw/zinc/40/80/35/411408035.db2.gz YFSMGZYALPRFIC-NSHDSACASA-N 1 3 200.326 1.225 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1CN ZINC000405533066 411433721 /nfs/dbraw/zinc/43/37/21/411433721.db2.gz NOAZLWRCHFLZGE-BFHYXJOUSA-N 1 3 242.407 1.964 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1CN ZINC000405533066 411433723 /nfs/dbraw/zinc/43/37/23/411433723.db2.gz NOAZLWRCHFLZGE-BFHYXJOUSA-N 1 3 242.407 1.964 20 0 BDADHO Cc1ccc(CCC[N@H+]2CC[C@H](N)[C@@H]2C)cn1 ZINC000414789421 411446004 /nfs/dbraw/zinc/44/60/04/411446004.db2.gz ONDMFBVLOKVHCU-JSGCOSHPSA-N 1 3 233.359 1.744 20 0 BDADHO Cc1ccc(CCC[N@@H+]2CC[C@H](N)[C@@H]2C)cn1 ZINC000414789421 411446007 /nfs/dbraw/zinc/44/60/07/411446007.db2.gz ONDMFBVLOKVHCU-JSGCOSHPSA-N 1 3 233.359 1.744 20 0 BDADHO COc1cccc2c1CC[C@H](N[C@H](C)C[NH3+])C2 ZINC000414924426 411468284 /nfs/dbraw/zinc/46/82/84/411468284.db2.gz HBQHZKDMHZHJPU-PWSUYJOCSA-N 1 3 234.343 1.489 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](CC)C2)CO1 ZINC000657337179 411471521 /nfs/dbraw/zinc/47/15/21/411471521.db2.gz LKPCZMHTFPYVSJ-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657337179 411471523 /nfs/dbraw/zinc/47/15/23/411471523.db2.gz LKPCZMHTFPYVSJ-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1c[nH]c(CNCCC2CC[NH+](C)CC2)n1 ZINC000657348089 411475364 /nfs/dbraw/zinc/47/53/64/411475364.db2.gz JXULCOSSOMHARL-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO C(CC1CCC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659850489 411476533 /nfs/dbraw/zinc/47/65/33/411476533.db2.gz QSBKQFUPCICRCJ-BETUJISGSA-N 1 3 208.349 1.718 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCC3)CCN1C ZINC000657374987 411482373 /nfs/dbraw/zinc/48/23/73/411482373.db2.gz BJJKVEMTWMSVJR-RYUDHWBXSA-N 1 3 248.374 1.402 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCC3)CCN1C ZINC000657374985 411482841 /nfs/dbraw/zinc/48/28/41/411482841.db2.gz BJJKVEMTWMSVJR-NEPJUHHUSA-N 1 3 248.374 1.402 20 0 BDADHO Cc1ncc(CNCC2=CC[N@H+](C)CC2)n1C ZINC000657427084 411503982 /nfs/dbraw/zinc/50/39/82/411503982.db2.gz LIFLHIIXTCUVLY-UHFFFAOYSA-N 1 3 234.347 1.080 20 0 BDADHO Cc1ncc(CNCC2=CC[N@@H+](C)CC2)n1C ZINC000657427084 411503983 /nfs/dbraw/zinc/50/39/83/411503983.db2.gz LIFLHIIXTCUVLY-UHFFFAOYSA-N 1 3 234.347 1.080 20 0 BDADHO CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1CCC1 ZINC000659939484 411504458 /nfs/dbraw/zinc/50/44/58/411504458.db2.gz HQIRXKKEQPZIKM-ZDUSSCGKSA-N 1 3 228.380 1.562 20 0 BDADHO CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1CCC1 ZINC000659939484 411504461 /nfs/dbraw/zinc/50/44/61/411504461.db2.gz HQIRXKKEQPZIKM-ZDUSSCGKSA-N 1 3 228.380 1.562 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000659989531 411521196 /nfs/dbraw/zinc/52/11/96/411521196.db2.gz NAQWGRUVVDROOZ-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000659989531 411521197 /nfs/dbraw/zinc/52/11/97/411521197.db2.gz NAQWGRUVVDROOZ-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN([C@@H]2CCCC[C@H]2O)C1 ZINC000659989531 411521200 /nfs/dbraw/zinc/52/12/00/411521200.db2.gz NAQWGRUVVDROOZ-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN([C@@H]2CCCC[C@H]2O)C1 ZINC000659989531 411521203 /nfs/dbraw/zinc/52/12/03/411521203.db2.gz NAQWGRUVVDROOZ-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CCN1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)C1 ZINC000328515517 170012098 /nfs/dbraw/zinc/01/20/98/170012098.db2.gz PKKCOWCUNIGBDB-CQSZACIVSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC000328515517 170012099 /nfs/dbraw/zinc/01/20/99/170012099.db2.gz PKKCOWCUNIGBDB-CQSZACIVSA-N 1 3 239.407 1.543 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300230736 170015219 /nfs/dbraw/zinc/01/52/19/170015219.db2.gz CVJAHRYAGMZDNM-VXGBXAGGSA-N 1 3 228.405 1.671 20 0 BDADHO Cc1nc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)[nH]c1C ZINC000657504721 411538835 /nfs/dbraw/zinc/53/88/35/411538835.db2.gz LPCBMGWMBFNGFS-TXEJJXNPSA-N 1 3 236.363 1.456 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151403419 170020081 /nfs/dbraw/zinc/02/00/81/170020081.db2.gz MPLZFJZKKGQBPV-HIFRSBDPSA-N 1 3 247.386 1.944 20 0 BDADHO CC[N@H+]1CC[C@H](NCCc2ccccn2)[C@H](C)C1 ZINC000151403419 170020082 /nfs/dbraw/zinc/02/00/82/170020082.db2.gz MPLZFJZKKGQBPV-HIFRSBDPSA-N 1 3 247.386 1.944 20 0 BDADHO OC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559774 411550711 /nfs/dbraw/zinc/55/07/11/411550711.db2.gz QSRDEZGBZBLGKI-MCIONIFRSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000657559774 411550713 /nfs/dbraw/zinc/55/07/13/411550713.db2.gz QSRDEZGBZBLGKI-MCIONIFRSA-N 1 3 238.375 1.364 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)C2(N)CCC2)c1 ZINC000296617565 170128221 /nfs/dbraw/zinc/12/82/21/170128221.db2.gz ZRKIXEQYXPRWSO-UHFFFAOYSA-N 1 3 247.342 1.616 20 0 BDADHO CC[NH2+][C@H](C)CNC(=O)[C@H](CC)N(CC)CC ZINC000358915473 170158145 /nfs/dbraw/zinc/15/81/45/170158145.db2.gz OVFFYFKSUMMCNU-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO CCOCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353174405 170370837 /nfs/dbraw/zinc/37/08/37/170370837.db2.gz WXJWXOQRUZALHG-PBWFPOADSA-N 1 3 240.391 1.970 20 0 BDADHO CCOCCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353174405 170370838 /nfs/dbraw/zinc/37/08/38/170370838.db2.gz WXJWXOQRUZALHG-PBWFPOADSA-N 1 3 240.391 1.970 20 0 BDADHO CCOCCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000336683147 170374718 /nfs/dbraw/zinc/37/47/18/170374718.db2.gz SMYNXSGOLMLQMH-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCOCCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000336683147 170374720 /nfs/dbraw/zinc/37/47/20/170374720.db2.gz SMYNXSGOLMLQMH-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCOCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127724874 170382546 /nfs/dbraw/zinc/38/25/46/170382546.db2.gz VASQPDOOOQYKPS-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CCOCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127724874 170382548 /nfs/dbraw/zinc/38/25/48/170382548.db2.gz VASQPDOOOQYKPS-CHWSQXEVSA-N 1 3 226.364 1.629 20 0 BDADHO CCOCCN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000082666930 170396663 /nfs/dbraw/zinc/39/66/63/170396663.db2.gz HFYIATHHCSFUSI-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCOCC[N@H+](CCCN)CC1CCCC1 ZINC000352503677 170396940 /nfs/dbraw/zinc/39/69/40/170396940.db2.gz ITVVVTKDZPCLGS-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO CCOCC[N@@H+](CCCN)CC1CCCC1 ZINC000352503677 170396941 /nfs/dbraw/zinc/39/69/41/170396941.db2.gz ITVVVTKDZPCLGS-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO CCOCCN(CCC[NH3+])CC1CCCC1 ZINC000352503677 170396943 /nfs/dbraw/zinc/39/69/43/170396943.db2.gz ITVVVTKDZPCLGS-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO COC[C@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659193 411613945 /nfs/dbraw/zinc/61/39/45/411613945.db2.gz NLYSBKXYQBSYSD-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659193 411613947 /nfs/dbraw/zinc/61/39/47/411613947.db2.gz NLYSBKXYQBSYSD-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000663497108 411678619 /nfs/dbraw/zinc/67/86/19/411678619.db2.gz BUWNUDUPQHBDSA-CEUNDQEZSA-N 1 3 238.375 1.532 20 0 BDADHO CCOC[C@@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663498696 411682225 /nfs/dbraw/zinc/68/22/25/411682225.db2.gz DKLCJRIHRJLHMX-GHMZBOCLSA-N 1 3 202.342 1.374 20 0 BDADHO COC[C@H](C)C[NH2+]CC[C@@H](N)C(C)C ZINC000663502393 411686335 /nfs/dbraw/zinc/68/63/35/411686335.db2.gz HURKEYBUGSILET-GHMZBOCLSA-N 1 3 202.342 1.232 20 0 BDADHO CN(C[C@H]1CC1(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000663514759 411695865 /nfs/dbraw/zinc/69/58/65/411695865.db2.gz SQPKJWOSAXWRDC-YPMHNXCESA-N 1 3 210.365 1.964 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CCF)C1 ZINC000661690561 411832570 /nfs/dbraw/zinc/83/25/70/411832570.db2.gz RQWQTWFMACCHSY-CHWSQXEVSA-N 1 3 246.370 1.371 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CCF)C1 ZINC000661690561 411832571 /nfs/dbraw/zinc/83/25/71/411832571.db2.gz RQWQTWFMACCHSY-CHWSQXEVSA-N 1 3 246.370 1.371 20 0 BDADHO CC[NH+](CC)CCCN[C@H]1C[C@@H](O)C12CCC2 ZINC000661831233 411896190 /nfs/dbraw/zinc/89/61/90/411896190.db2.gz MUCHAZZKEOQIAM-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661831233 411896192 /nfs/dbraw/zinc/89/61/92/411896192.db2.gz MUCHAZZKEOQIAM-QWHCGFSZSA-N 1 3 240.391 1.611 20 0 BDADHO CC[C@H](C)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154581 412009753 /nfs/dbraw/zinc/00/97/53/412009753.db2.gz XWJKJPPHAQBTSO-GXTWGEPZSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@H](C)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154581 412009755 /nfs/dbraw/zinc/00/97/55/412009755.db2.gz XWJKJPPHAQBTSO-GXTWGEPZSA-N 1 3 240.391 1.564 20 0 BDADHO CO[C@@H](CN1CCC([NH3+])CC1)C1CCCC1 ZINC000662240983 412036693 /nfs/dbraw/zinc/03/66/93/412036693.db2.gz OPYAEHXNZUURCW-ZDUSSCGKSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@H](N)C1)C1CCCCC1 ZINC000662243529 412038477 /nfs/dbraw/zinc/03/84/77/412038477.db2.gz MXBFLHPEZFCVKV-STQMWFEESA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@H](N)C1)C1CCCCC1 ZINC000662243529 412038479 /nfs/dbraw/zinc/03/84/79/412038479.db2.gz MXBFLHPEZFCVKV-STQMWFEESA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@H](CN(C)CCC[NH3+])C1CCCC1 ZINC000662243934 412040153 /nfs/dbraw/zinc/04/01/53/412040153.db2.gz DJIIRJUSMWDNAS-LBPRGKRZSA-N 1 3 214.353 1.472 20 0 BDADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662249628 412045782 /nfs/dbraw/zinc/04/57/82/412045782.db2.gz QQRSDXLLEWVGCF-JHJVBQTASA-N 1 3 238.375 1.485 20 0 BDADHO CCC[N@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662250126 412046489 /nfs/dbraw/zinc/04/64/89/412046489.db2.gz YOXXQTNAVMMBLR-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO CCC[N@@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662250126 412046493 /nfs/dbraw/zinc/04/64/93/412046493.db2.gz YOXXQTNAVMMBLR-ZDUSSCGKSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662249629 412047340 /nfs/dbraw/zinc/04/73/40/412047340.db2.gz QQRSDXLLEWVGCF-UPJWGTAASA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662250769 412048778 /nfs/dbraw/zinc/04/87/78/412048778.db2.gz NOXIQUQKTABHQS-QWHCGFSZSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662250769 412048782 /nfs/dbraw/zinc/04/87/82/412048782.db2.gz NOXIQUQKTABHQS-QWHCGFSZSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662252875 412048964 /nfs/dbraw/zinc/04/89/64/412048964.db2.gz QTIWYRXRCXMLDM-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662252875 412048965 /nfs/dbraw/zinc/04/89/65/412048965.db2.gz QTIWYRXRCXMLDM-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251528 412049288 /nfs/dbraw/zinc/04/92/88/412049288.db2.gz GMOIABHHBWRFQQ-CYBMUJFWSA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251528 412049289 /nfs/dbraw/zinc/04/92/89/412049289.db2.gz GMOIABHHBWRFQQ-CYBMUJFWSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256602 412051561 /nfs/dbraw/zinc/05/15/61/412051561.db2.gz WSXCCYYUKDPVSW-XQQFMLRXSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662256602 412051563 /nfs/dbraw/zinc/05/15/63/412051563.db2.gz WSXCCYYUKDPVSW-XQQFMLRXSA-N 1 3 238.375 1.628 20 0 BDADHO Cc1cc(CN2CCC[C@@H](CC[NH3+])C2)nc(C)n1 ZINC000662271859 412062762 /nfs/dbraw/zinc/06/27/62/412062762.db2.gz JNZZJASJDRNHNT-ZDUSSCGKSA-N 1 3 248.374 1.654 20 0 BDADHO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279837 412071683 /nfs/dbraw/zinc/07/16/83/412071683.db2.gz MEYDOFZTHBUCHI-YNEHKIRRSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279837 412071685 /nfs/dbraw/zinc/07/16/85/412071685.db2.gz MEYDOFZTHBUCHI-YNEHKIRRSA-N 1 3 238.375 1.770 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000662275396 412067437 /nfs/dbraw/zinc/06/74/37/412067437.db2.gz BVYDHYLYLPSQBB-XGUBFFRZSA-N 1 3 249.402 1.012 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000662275396 412067438 /nfs/dbraw/zinc/06/74/38/412067438.db2.gz BVYDHYLYLPSQBB-XGUBFFRZSA-N 1 3 249.402 1.012 20 0 BDADHO Cc1ccc2c(c1)CN(CCOCC[NH3+])CC2 ZINC000662298271 412083468 /nfs/dbraw/zinc/08/34/68/412083468.db2.gz AYAXBLNXRIPAQL-UHFFFAOYSA-N 1 3 234.343 1.328 20 0 BDADHO C[C@H](CO)[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000662300955 412086468 /nfs/dbraw/zinc/08/64/68/412086468.db2.gz NVYYFJVLHNNLAM-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[NH2+]CCCN1CCCC[C@H]1[C@@H](C)CO ZINC000662302130 412089210 /nfs/dbraw/zinc/08/92/10/412089210.db2.gz XDLLNMGCYXPBHG-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000662302130 412089213 /nfs/dbraw/zinc/08/92/13/412089213.db2.gz XDLLNMGCYXPBHG-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000662302130 412089215 /nfs/dbraw/zinc/08/92/15/412089215.db2.gz XDLLNMGCYXPBHG-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](CCF)C1 ZINC000662311474 412094525 /nfs/dbraw/zinc/09/45/25/412094525.db2.gz SMMSYMSJMQZJDH-VXGBXAGGSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000662311474 412094526 /nfs/dbraw/zinc/09/45/26/412094526.db2.gz SMMSYMSJMQZJDH-VXGBXAGGSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000662311474 412094528 /nfs/dbraw/zinc/09/45/28/412094528.db2.gz SMMSYMSJMQZJDH-VXGBXAGGSA-N 1 3 232.343 1.028 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](CCF)C1 ZINC000662311471 412094719 /nfs/dbraw/zinc/09/47/19/412094719.db2.gz SMMSYMSJMQZJDH-NWDGAFQWSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662311471 412094721 /nfs/dbraw/zinc/09/47/21/412094721.db2.gz SMMSYMSJMQZJDH-NWDGAFQWSA-N 1 3 232.343 1.028 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000662311471 412094725 /nfs/dbraw/zinc/09/47/25/412094725.db2.gz SMMSYMSJMQZJDH-NWDGAFQWSA-N 1 3 232.343 1.028 20 0 BDADHO CCCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321094 412100551 /nfs/dbraw/zinc/10/05/51/412100551.db2.gz GTLOYVMQEUVINA-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CC[C@@H](C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321247 412100867 /nfs/dbraw/zinc/10/08/67/412100867.db2.gz ABDOHHFZIOJOOE-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO C[NH+](C)CCC[C@@H]1CN(C2CCCC2)CCO1 ZINC000662324677 412103459 /nfs/dbraw/zinc/10/34/59/412103459.db2.gz ALTHIXXVGOSCDV-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO C[C@@H]1C[C@H](NC2CCC(C[NH3+])CC2)c2ncnn21 ZINC000665235907 412176176 /nfs/dbraw/zinc/17/61/76/412176176.db2.gz CCNSCEVCVDNHIR-YYJSSNLHSA-N 1 3 249.362 1.391 20 0 BDADHO Cc1ccncc1CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000665238768 412177894 /nfs/dbraw/zinc/17/78/94/412177894.db2.gz DAXDBSVDUJGMQZ-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H](C)C[C@H](C)N ZINC000665238768 412177899 /nfs/dbraw/zinc/17/78/99/412177899.db2.gz DAXDBSVDUJGMQZ-RYUDHWBXSA-N 1 3 221.348 1.648 20 0 BDADHO CO[C@@H](C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665244183 412187146 /nfs/dbraw/zinc/18/71/46/412187146.db2.gz IAHRMIUQCXLUEJ-RWMBFGLXSA-N 1 3 228.380 1.922 20 0 BDADHO CO[C@@H](C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665244182 412187544 /nfs/dbraw/zinc/18/75/44/412187544.db2.gz IAHRMIUQCXLUEJ-FRRDWIJNSA-N 1 3 228.380 1.922 20 0 BDADHO C[C@@H](NC[C@H]1C(C)(C)C1(F)F)C1C[NH2+]C1 ZINC000665273688 412214896 /nfs/dbraw/zinc/21/48/96/412214896.db2.gz BQVFXCIEMHJLBE-APPZFPTMSA-N 1 3 218.291 1.475 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)C1CNC1 ZINC000665273688 412214898 /nfs/dbraw/zinc/21/48/98/412214898.db2.gz BQVFXCIEMHJLBE-APPZFPTMSA-N 1 3 218.291 1.475 20 0 BDADHO CC1(C)[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)C1(F)F ZINC000665273725 412214961 /nfs/dbraw/zinc/21/49/61/412214961.db2.gz CIWHBNXUOWHSDZ-BBBLOLIVSA-N 1 3 232.318 1.995 20 0 BDADHO CC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000662419111 412160175 /nfs/dbraw/zinc/16/01/75/412160175.db2.gz WJDCVUYLWKGMFR-ZDUSSCGKSA-N 1 3 247.342 1.269 20 0 BDADHO C[C@H](N[C@H]1CCN(C(C)(C)C)C1)[C@@H]1CCC[NH2+]1 ZINC000665235863 412174070 /nfs/dbraw/zinc/17/40/70/412174070.db2.gz BHNAJXZDMXYBRG-AVGNSLFASA-N 1 3 239.407 1.589 20 0 BDADHO Cc1cncc(CCN[C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000665274486 412217917 /nfs/dbraw/zinc/21/79/17/412217917.db2.gz QYULAMWOQGFMAU-RISCZKNCSA-N 1 3 248.374 1.305 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000665282167 412227508 /nfs/dbraw/zinc/22/75/08/412227508.db2.gz SCABOLDPWVCIBK-UTUOFQBUSA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000665282409 412227617 /nfs/dbraw/zinc/22/76/17/412227617.db2.gz XPEONEGTZDPBAC-WRWGMCAJSA-N 1 3 214.353 1.515 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](N)C(C)C)C1 ZINC000665282264 412227937 /nfs/dbraw/zinc/22/79/37/412227937.db2.gz UNJVIBZUDYWCHS-YNEHKIRRSA-N 1 3 228.380 1.907 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCCc1ccco1 ZINC000665284018 412229392 /nfs/dbraw/zinc/22/93/92/412229392.db2.gz YVYXYQUUURVWCJ-NEPJUHHUSA-N 1 3 208.305 1.682 20 0 BDADHO C[NH2+]C[C@H](C)N[C@H](C)C1CCSCC1 ZINC000665297954 412243965 /nfs/dbraw/zinc/24/39/65/412243965.db2.gz PAJVBALAMSJBOO-VHSXEESVSA-N 1 3 216.394 1.716 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@@H]1CCCC12CCOCC2 ZINC000665297489 412244755 /nfs/dbraw/zinc/24/47/55/412244755.db2.gz HAHDOXWUXXAMDH-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CCn1cc(CN2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000070074162 172164112 /nfs/dbraw/zinc/16/41/12/172164112.db2.gz ISYBCTYWKMLHBK-LBPRGKRZSA-N 1 3 236.363 1.464 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCCOC(C)(C)C1 ZINC000372424974 173026735 /nfs/dbraw/zinc/02/67/35/173026735.db2.gz IYQMSQOPQSNNLB-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCCOC(C)(C)C1 ZINC000372424974 173026737 /nfs/dbraw/zinc/02/67/37/173026737.db2.gz IYQMSQOPQSNNLB-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H](CO)C1CCCC1 ZINC000352708738 173029187 /nfs/dbraw/zinc/02/91/87/173029187.db2.gz XMQJFLYWTSQJGR-ZIAGYGMSSA-N 1 3 240.391 1.611 20 0 BDADHO CN(CCc1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000355732450 173042190 /nfs/dbraw/zinc/04/21/90/173042190.db2.gz JWMKAYVASKXIAG-HNNXBMFYSA-N 1 3 247.386 1.898 20 0 BDADHO CN(CCc1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355732450 173042191 /nfs/dbraw/zinc/04/21/91/173042191.db2.gz JWMKAYVASKXIAG-HNNXBMFYSA-N 1 3 247.386 1.898 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361590993 173052413 /nfs/dbraw/zinc/05/24/13/173052413.db2.gz WZFICYAFDFFQHX-KBPBESRZSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361590993 173052416 /nfs/dbraw/zinc/05/24/16/173052416.db2.gz WZFICYAFDFFQHX-KBPBESRZSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741721 173053197 /nfs/dbraw/zinc/05/31/97/173053197.db2.gz BVPULASDQNMABF-MELADBBJSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366741721 173053200 /nfs/dbraw/zinc/05/32/00/173053200.db2.gz BVPULASDQNMABF-MELADBBJSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H](CO)C1CCCC1 ZINC000352708733 173054769 /nfs/dbraw/zinc/05/47/69/173054769.db2.gz XMQJFLYWTSQJGR-KBPBESRZSA-N 1 3 240.391 1.611 20 0 BDADHO C[N@H+]1C[C@H]2CN(C[C@@H]3Cc4ccccc43)C[C@H]2C1 ZINC000376503381 173197364 /nfs/dbraw/zinc/19/73/64/173197364.db2.gz AFBOTHSWZGJCCO-SOUVJXGZSA-N 1 3 242.366 1.820 20 0 BDADHO C[N@@H+]1C[C@H]2CN(C[C@@H]3Cc4ccccc43)C[C@H]2C1 ZINC000376503381 173197366 /nfs/dbraw/zinc/19/73/66/173197366.db2.gz AFBOTHSWZGJCCO-SOUVJXGZSA-N 1 3 242.366 1.820 20 0 BDADHO C[NH2+]CCN(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000131770543 173352054 /nfs/dbraw/zinc/35/20/54/173352054.db2.gz MEZFOOJVSSWFJT-WCQYABFASA-N 1 3 249.358 1.000 20 0 BDADHO C[NH2+]C[C@H]1CCCN([C@@H](C)CCOC)C1 ZINC000045044518 173378425 /nfs/dbraw/zinc/37/84/25/173378425.db2.gz VCAIRZKDYJJCIL-NWDGAFQWSA-N 1 3 214.353 1.343 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCCc2ccc(C)nc2)C1 ZINC000339407486 173380639 /nfs/dbraw/zinc/38/06/39/173380639.db2.gz NSBPLDDFUHUKHG-OAHLLOKOSA-N 1 3 247.386 1.864 20 0 BDADHO CNC[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224611833 173381780 /nfs/dbraw/zinc/38/17/80/173381780.db2.gz JBOATPLUCWCLGO-MNOVXSKESA-N 1 3 214.378 1.281 20 0 BDADHO CNC[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224611833 173381781 /nfs/dbraw/zinc/38/17/81/173381781.db2.gz JBOATPLUCWCLGO-MNOVXSKESA-N 1 3 214.378 1.281 20 0 BDADHO C[NH2+]C[C@H]1CCN(C[C@@H]2CCSC2)C1 ZINC000224611833 173381782 /nfs/dbraw/zinc/38/17/82/173381782.db2.gz JBOATPLUCWCLGO-MNOVXSKESA-N 1 3 214.378 1.281 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000237107523 173389807 /nfs/dbraw/zinc/38/98/07/173389807.db2.gz RIYVKCPWBRXNHP-LBPRGKRZSA-N 1 3 235.331 1.328 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@H](C)CN(C)C ZINC000308965974 174072715 /nfs/dbraw/zinc/07/27/15/174072715.db2.gz VPZOQBILRWNGLN-NSHDSACASA-N 1 3 216.369 1.446 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000234691952 174143870 /nfs/dbraw/zinc/14/38/70/174143870.db2.gz CLANIFQQQCRZFA-RYUDHWBXSA-N 1 3 228.380 1.766 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000234684268 174144582 /nfs/dbraw/zinc/14/45/82/174144582.db2.gz CLANIFQQQCRZFA-NWDGAFQWSA-N 1 3 228.380 1.766 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000300844971 174184747 /nfs/dbraw/zinc/18/47/47/174184747.db2.gz MVDDPBKEIVFNLG-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO COCCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000082645401 174231384 /nfs/dbraw/zinc/23/13/84/174231384.db2.gz PDWIDPNMDMEYEO-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO COc1ccc([C@@H](C)NC[C@@H](C)C[NH3+])cc1 ZINC000336666086 175176932 /nfs/dbraw/zinc/17/69/32/175176932.db2.gz LNSXJPADLLOVNN-WDEREUQCSA-N 1 3 222.332 1.941 20 0 BDADHO COc1cccc([C@H](C)NCCC[NH3+])c1 ZINC000037713233 175293657 /nfs/dbraw/zinc/29/36/57/175293657.db2.gz KRGSERPBJSBPSZ-JTQLQIEISA-N 1 3 208.305 1.695 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C[C@@H]1CN ZINC000224623496 176172422 /nfs/dbraw/zinc/17/24/22/176172422.db2.gz PDHGBUKNOZAVBG-WOPDTQHZSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C[C@@H]1CN ZINC000224623496 176172423 /nfs/dbraw/zinc/17/24/23/176172423.db2.gz PDHGBUKNOZAVBG-WOPDTQHZSA-N 1 3 228.405 1.656 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCSCC1 ZINC000335160052 176185330 /nfs/dbraw/zinc/18/53/30/176185330.db2.gz ZFHFNWOBLVXPBY-ZYHUDNBSSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358412119 176274088 /nfs/dbraw/zinc/27/40/88/176274088.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358412119 176274090 /nfs/dbraw/zinc/27/40/90/176274090.db2.gz XZKSRGJISUASFM-RFGFWPKPSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000351796630 176292900 /nfs/dbraw/zinc/29/29/00/176292900.db2.gz XTCZTOKQNDFKMQ-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1O ZINC000351796630 176292902 /nfs/dbraw/zinc/29/29/02/176292902.db2.gz XTCZTOKQNDFKMQ-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)[C@H]1CCCCN1CC[C@H]1CCC[N@@H+]1C ZINC000336679940 177014971 /nfs/dbraw/zinc/01/49/71/177014971.db2.gz CHYPEJYCABLDJB-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H](O)[C@H]1CCCCN1CC[C@H]1CCC[N@H+]1C ZINC000336679940 177014972 /nfs/dbraw/zinc/01/49/72/177014972.db2.gz CHYPEJYCABLDJB-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCN1CCNCC1 ZINC000050564927 177098319 /nfs/dbraw/zinc/09/83/19/177098319.db2.gz WYTNEESEYFHTRX-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1[C@@H](C)CCC[N@H+]1CCN1CCNCC1 ZINC000050564927 177098321 /nfs/dbraw/zinc/09/83/21/177098321.db2.gz WYTNEESEYFHTRX-QWHCGFSZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@H]1CN(CCCCCCC[NH3+])CCO1 ZINC000020072103 177247626 /nfs/dbraw/zinc/24/76/26/177247626.db2.gz LIKYVPSLDLFRKA-LBPRGKRZSA-N 1 3 214.353 1.616 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000227638163 177302379 /nfs/dbraw/zinc/30/23/79/177302379.db2.gz FBMCHMWCWZBNHS-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]1C[C@@H](CN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055661 177325167 /nfs/dbraw/zinc/32/51/67/177325167.db2.gz JMGJTQBPYGUTDS-ZDEQEGDKSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCn1cccn1 ZINC000042539473 177332090 /nfs/dbraw/zinc/33/20/90/177332090.db2.gz VCHCBWVGOFMDHZ-FRRDWIJNSA-N 1 3 236.363 1.201 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCn1cccn1 ZINC000042539473 177332091 /nfs/dbraw/zinc/33/20/91/177332091.db2.gz VCHCBWVGOFMDHZ-FRRDWIJNSA-N 1 3 236.363 1.201 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc2c1NCC2 ZINC000336225313 177361215 /nfs/dbraw/zinc/36/12/15/177361215.db2.gz ICOAEKLRCQPGON-NWDGAFQWSA-N 1 3 245.370 1.824 20 0 BDADHO C[C@H]1C[C@H](CN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055659 177362831 /nfs/dbraw/zinc/36/28/31/177362831.db2.gz JMGJTQBPYGUTDS-QNWHQSFQSA-N 1 3 224.348 1.238 20 0 BDADHO CC(C)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000127888667 487665906 /nfs/dbraw/zinc/66/59/06/487665906.db2.gz KHMWVANWRBUCPE-UHFFFAOYSA-N 1 3 219.332 1.860 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCOC2)C[C@@H]1CN ZINC000397312737 262748512 /nfs/dbraw/zinc/74/85/12/262748512.db2.gz PKKOKHACEFXEJF-RFGFWPKPSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1CN ZINC000397312737 262748514 /nfs/dbraw/zinc/74/85/14/262748514.db2.gz PKKOKHACEFXEJF-RFGFWPKPSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@@H]1C ZINC000383805624 487674715 /nfs/dbraw/zinc/67/47/15/487674715.db2.gz UJKFXEMXYMNACD-RDBSUJKOSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@@H]1C ZINC000383805624 487674723 /nfs/dbraw/zinc/67/47/23/487674723.db2.gz UJKFXEMXYMNACD-RDBSUJKOSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@H]1C ZINC000383805615 487674893 /nfs/dbraw/zinc/67/48/93/487674893.db2.gz UJKFXEMXYMNACD-MCIONIFRSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C)[C@H]1C ZINC000383805615 487674899 /nfs/dbraw/zinc/67/48/99/487674899.db2.gz UJKFXEMXYMNACD-MCIONIFRSA-N 1 3 242.407 1.808 20 0 BDADHO CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC1CCC1 ZINC000383844329 487677799 /nfs/dbraw/zinc/67/77/99/487677799.db2.gz ZWGXPSNATFBSNC-AWEZNQCLSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1CCC1 ZINC000383844329 487677802 /nfs/dbraw/zinc/67/78/02/487677802.db2.gz ZWGXPSNATFBSNC-AWEZNQCLSA-N 1 3 242.407 1.810 20 0 BDADHO CC[C@@H]1CN(CCc2cn[nH]c2)CC[C@@H]1[NH3+] ZINC000393760408 487688803 /nfs/dbraw/zinc/68/88/03/487688803.db2.gz KVXFDTACKKDBGB-NEPJUHHUSA-N 1 3 222.336 1.011 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCOC1 ZINC000396601200 262806571 /nfs/dbraw/zinc/80/65/71/262806571.db2.gz NIASZBCYGJDHRV-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376062 584568172 /nfs/dbraw/zinc/56/81/72/584568172.db2.gz HXASIFBYSYSEIW-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](C)CN)C1 ZINC001172604056 974881672 /nfs/dbraw/zinc/88/16/72/974881672.db2.gz RLANPTHOCBWHRP-QJPTWQEYSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)CN)C1 ZINC001172604056 974881676 /nfs/dbraw/zinc/88/16/76/974881676.db2.gz RLANPTHOCBWHRP-QJPTWQEYSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H](N(C)C[C@@H](C)C[NH3+])C1 ZINC001172604056 974881681 /nfs/dbraw/zinc/88/16/81/974881681.db2.gz RLANPTHOCBWHRP-QJPTWQEYSA-N 1 3 242.363 1.245 20 0 BDADHO CC[C@@H](O)CNC1CC[NH+](CC(C)C)CC1 ZINC000233897643 487750978 /nfs/dbraw/zinc/75/09/78/487750978.db2.gz XWHIZTMYXDHHDU-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@@H]1CN(CCCOC)CC[C@H]1[NH3+] ZINC000251522765 487752369 /nfs/dbraw/zinc/75/23/69/487752369.db2.gz AAOVAPLQARYOGN-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO C[NH2+]C1CCN(C[C@@H]2CCO[C@H]2C)CC1 ZINC000234346092 487803807 /nfs/dbraw/zinc/80/38/07/487803807.db2.gz AEKWCKDOMFMDRR-QWRGUYRKSA-N 1 3 212.337 1.095 20 0 BDADHO CNC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000234346092 487803813 /nfs/dbraw/zinc/80/38/13/487803813.db2.gz AEKWCKDOMFMDRR-QWRGUYRKSA-N 1 3 212.337 1.095 20 0 BDADHO Cc1cccc(CCN[C@@H]2CCC[NH2+]CC2)n1 ZINC000415105152 487837918 /nfs/dbraw/zinc/83/79/18/487837918.db2.gz MDQGTAGFWNDZMM-CYBMUJFWSA-N 1 3 233.359 1.664 20 0 BDADHO COc1cccc(OCCC[NH2+]CCCN)c1 ZINC000415125639 487838249 /nfs/dbraw/zinc/83/82/49/487838249.db2.gz SJJLLUIIHADZPR-UHFFFAOYSA-N 1 3 238.331 1.403 20 0 BDADHO COc1cccc(OCCCNCCC[NH3+])c1 ZINC000415125639 487838254 /nfs/dbraw/zinc/83/82/54/487838254.db2.gz SJJLLUIIHADZPR-UHFFFAOYSA-N 1 3 238.331 1.403 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOC(F)F ZINC000852741664 588698437 /nfs/dbraw/zinc/69/84/37/588698437.db2.gz YVUQTAMYJOOFEC-VIFPVBQESA-N 1 3 210.268 1.189 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000666638410 487849281 /nfs/dbraw/zinc/84/92/81/487849281.db2.gz LXZPYHRXDVZWRN-OLZOCXBDSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](CCO)C1 ZINC000666638410 487849284 /nfs/dbraw/zinc/84/92/84/487849284.db2.gz LXZPYHRXDVZWRN-OLZOCXBDSA-N 1 3 228.380 1.454 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000253091371 487849860 /nfs/dbraw/zinc/84/98/60/487849860.db2.gz FZPVMMZROJMQDS-VPOLOUISSA-N 1 3 212.337 1.005 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000253091371 487849865 /nfs/dbraw/zinc/84/98/65/487849865.db2.gz FZPVMMZROJMQDS-VPOLOUISSA-N 1 3 212.337 1.005 20 0 BDADHO CCCC[C@@H](CN)[NH2+]Cc1cnc2ccccn12 ZINC000666758748 487874131 /nfs/dbraw/zinc/87/41/31/487874131.db2.gz SXCNGQZEGXZJDS-LBPRGKRZSA-N 1 3 246.358 1.941 20 0 BDADHO COC1CCC(NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770371 487876741 /nfs/dbraw/zinc/87/67/41/487876741.db2.gz WSHYDPLSUUXKCT-CPCZMJQVSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCCNCC1 ZINC000666857661 487891845 /nfs/dbraw/zinc/89/18/45/487891845.db2.gz DIWULLMDQAJWAE-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO CCc1nn(C)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666954035 487891903 /nfs/dbraw/zinc/89/19/03/487891903.db2.gz OJATZJCLHLSWAB-ZDUSSCGKSA-N 1 3 248.374 1.214 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000229379332 487907872 /nfs/dbraw/zinc/90/78/72/487907872.db2.gz NSJDHYNXWSGIPZ-XQQFMLRXSA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000229379332 487907877 /nfs/dbraw/zinc/90/78/77/487907877.db2.gz NSJDHYNXWSGIPZ-XQQFMLRXSA-N 1 3 228.380 1.730 20 0 BDADHO CO[C@H](C)[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000229379332 487907878 /nfs/dbraw/zinc/90/78/78/487907878.db2.gz NSJDHYNXWSGIPZ-XQQFMLRXSA-N 1 3 228.380 1.730 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995077 487921545 /nfs/dbraw/zinc/92/15/45/487921545.db2.gz CFXGZKQQPYSSNE-SRVKXCTJSA-N 1 3 224.348 1.428 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995077 487921549 /nfs/dbraw/zinc/92/15/49/487921549.db2.gz CFXGZKQQPYSSNE-SRVKXCTJSA-N 1 3 224.348 1.428 20 0 BDADHO CC[C@@H](COC)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995319 487924722 /nfs/dbraw/zinc/92/47/22/487924722.db2.gz KBFDSPZHHDZQSL-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO CC[C@@H](COC)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995319 487924725 /nfs/dbraw/zinc/92/47/25/487924725.db2.gz KBFDSPZHHDZQSL-RYUDHWBXSA-N 1 3 226.364 1.676 20 0 BDADHO CC(C)O[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000404662942 487930345 /nfs/dbraw/zinc/93/03/45/487930345.db2.gz XHHAILUZVBISLW-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000404662942 487930352 /nfs/dbraw/zinc/93/03/52/487930352.db2.gz XHHAILUZVBISLW-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)O[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000404662942 487930340 /nfs/dbraw/zinc/93/03/40/487930340.db2.gz XHHAILUZVBISLW-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](Cn1cccn1)NCc1ccc(C[NH3+])cc1 ZINC000564973678 322985289 /nfs/dbraw/zinc/98/52/89/322985289.db2.gz ODTRRLXYPOUEQW-GFCCVEGCSA-N 1 3 244.342 1.520 20 0 BDADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000562603556 323025456 /nfs/dbraw/zinc/02/54/56/323025456.db2.gz PZSCEOBCHHVPFS-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCC1(O)Cc2ccccc2C1 ZINC000569957563 323045669 /nfs/dbraw/zinc/04/56/69/323045669.db2.gz KENNNDYZXWUTMO-NEPJUHHUSA-N 1 3 248.370 1.232 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C1 ZINC000570105975 323050136 /nfs/dbraw/zinc/05/01/36/323050136.db2.gz GKDTXFCETYNNIO-QNWHQSFQSA-N 1 3 226.364 1.397 20 0 BDADHO COC(=O)CC1([NH2+]CCCN)CCCCC1 ZINC000572612534 323073292 /nfs/dbraw/zinc/07/32/92/323073292.db2.gz FGLVYDZYQMYUNH-UHFFFAOYSA-N 1 3 228.336 1.191 20 0 BDADHO COC(=O)CC1(NCCC[NH3+])CCCCC1 ZINC000572612534 323073293 /nfs/dbraw/zinc/07/32/93/323073293.db2.gz FGLVYDZYQMYUNH-UHFFFAOYSA-N 1 3 228.336 1.191 20 0 BDADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H](O)C(F)F ZINC000570942074 323076146 /nfs/dbraw/zinc/07/61/46/323076146.db2.gz NZWVCUSIAPWRCW-DOLQZWNJSA-N 1 3 236.306 1.251 20 0 BDADHO C[C@@H]1CCN(CC[NH2+][C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000531727701 323111513 /nfs/dbraw/zinc/11/15/13/323111513.db2.gz GQAISRONKMGPFK-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO Cc1ncncc1[C@@H](C)NCC1CC[NH+](C)CC1 ZINC000563419245 323123725 /nfs/dbraw/zinc/12/37/25/323123725.db2.gz SGHCOPVVIMXSTC-LLVKDONJSA-N 1 3 248.374 1.777 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)[C@H](C)O1 ZINC000563423634 323124344 /nfs/dbraw/zinc/12/43/44/323124344.db2.gz HRXLUPGPCDOHRH-RXGFPQBGSA-N 1 3 226.364 1.659 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426668 323126142 /nfs/dbraw/zinc/12/61/42/323126142.db2.gz VRQRYWHAROZKAJ-VXGBXAGGSA-N 1 3 226.364 1.399 20 0 BDADHO COC[C@@H](C)C[NH2+][C@@H]1CNC[C@H]1c1ccccc1 ZINC000563446103 323126197 /nfs/dbraw/zinc/12/61/97/323126197.db2.gz VKCRTIQBAVVYIQ-AEGPPILISA-N 1 3 248.370 1.614 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426665 323126224 /nfs/dbraw/zinc/12/62/24/323126224.db2.gz VRQRYWHAROZKAJ-NWDGAFQWSA-N 1 3 226.364 1.399 20 0 BDADHO C[C@H]1CNCC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000308818074 323178900 /nfs/dbraw/zinc/17/89/00/323178900.db2.gz JABSSSYPGHBWEX-CABZTGNLSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000395116267 323187516 /nfs/dbraw/zinc/18/75/16/323187516.db2.gz DKTWFPIVUZNIIH-NWDGAFQWSA-N 1 3 241.379 1.021 20 0 BDADHO CC[C@H](CCO)CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395140094 323188717 /nfs/dbraw/zinc/18/87/17/323188717.db2.gz GSXBLUAZKJHEMO-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000395158492 323189478 /nfs/dbraw/zinc/18/94/78/323189478.db2.gz MRQMNAQRAACVMK-YVECIDJPSA-N 1 3 226.364 1.484 20 0 BDADHO COc1ccc([C@@H](CN)C[NH+]2CCCC2)cc1 ZINC000041264258 323205788 /nfs/dbraw/zinc/20/57/88/323205788.db2.gz UMDWUGQRLKNQAC-ZDUSSCGKSA-N 1 3 234.343 1.833 20 0 BDADHO COc1ccc([C@@H](C[NH3+])CN2CCCC2)cc1 ZINC000041264258 323205789 /nfs/dbraw/zinc/20/57/89/323205789.db2.gz UMDWUGQRLKNQAC-ZDUSSCGKSA-N 1 3 234.343 1.833 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCC12CC(C1)CO2 ZINC000530220309 323217940 /nfs/dbraw/zinc/21/79/40/323217940.db2.gz MUUGOQUBTGYSDG-QZQSVVMZSA-N 1 3 224.348 1.415 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH+](C)C)[C@H]1SC ZINC000459369410 324146062 /nfs/dbraw/zinc/14/60/62/324146062.db2.gz NUMINPNYUPKMIU-IJLUTSLNSA-N 1 3 246.420 1.437 20 0 BDADHO C[C@H](NCCC[NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000566089085 325992530 /nfs/dbraw/zinc/99/25/30/325992530.db2.gz MRYDZXJORPYPRN-JTQLQIEISA-N 1 3 247.342 1.571 20 0 BDADHO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000566648768 326071253 /nfs/dbraw/zinc/07/12/53/326071253.db2.gz CVCSRHHNYLDSAL-BFHYXJOUSA-N 1 3 241.423 1.787 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000566974497 326098844 /nfs/dbraw/zinc/09/88/44/326098844.db2.gz XNLITMPBEPYYEI-SUZMYJTESA-N 1 3 249.358 1.677 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156076146 326218411 /nfs/dbraw/zinc/21/84/11/326218411.db2.gz IZLQCRPEUYXUOL-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156076146 326218413 /nfs/dbraw/zinc/21/84/13/326218413.db2.gz IZLQCRPEUYXUOL-AAVRWANBSA-N 1 3 238.375 1.770 20 0 BDADHO CC[NH2+]CCCN[C@@H](C)[C@H]1CCCO1 ZINC000567638862 326235174 /nfs/dbraw/zinc/23/51/74/326235174.db2.gz NXVHFWZSWZKWCC-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CC2(O)CCC2)C1 ZINC000567680989 326244124 /nfs/dbraw/zinc/24/41/24/326244124.db2.gz JYRGOKQUZCUXOR-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNCC2(O)CCC2)C1 ZINC000567680989 326244125 /nfs/dbraw/zinc/24/41/25/326244125.db2.gz JYRGOKQUZCUXOR-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO CCC[N@H+]1CC[C@H](CNCC2(O)CCC2)C1 ZINC000567680989 326244129 /nfs/dbraw/zinc/24/41/29/326244129.db2.gz JYRGOKQUZCUXOR-GFCCVEGCSA-N 1 3 226.364 1.223 20 0 BDADHO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)[C@H]1CCCCN1 ZINC000567899631 326274680 /nfs/dbraw/zinc/27/46/80/326274680.db2.gz LITXSXRJVJBONK-WRWGMCAJSA-N 1 3 212.337 1.284 20 0 BDADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)NC ZINC000568235736 326331519 /nfs/dbraw/zinc/33/15/19/326331519.db2.gz XZIYQWGCFMPKCK-LBPRGKRZSA-N 1 3 243.395 1.223 20 0 BDADHO Cc1cccc(NCCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000568900757 326381976 /nfs/dbraw/zinc/38/19/76/326381976.db2.gz DYBRRDSGQUVKNU-CHWSQXEVSA-N 1 3 248.374 1.661 20 0 BDADHO CCCN1CC[C@H](N[C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400468351 487980578 /nfs/dbraw/zinc/98/05/78/487980578.db2.gz UKMZCXYTGMCUMS-RWMBFGLXSA-N 1 3 225.380 1.201 20 0 BDADHO COC[C@H](C)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000045706798 488026840 /nfs/dbraw/zinc/02/68/40/488026840.db2.gz NTVNTMFXQSKBCA-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@H](N)C[C@H]1C ZINC000045706798 488026845 /nfs/dbraw/zinc/02/68/45/488026845.db2.gz NTVNTMFXQSKBCA-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@H](N)C[C@H]1C ZINC000045706798 488026849 /nfs/dbraw/zinc/02/68/49/488026849.db2.gz NTVNTMFXQSKBCA-GMTAPVOTSA-N 1 3 200.326 1.081 20 0 BDADHO CC[C@@H](O)CN(CCC[NH3+])Cc1ccccc1 ZINC000230026382 488038390 /nfs/dbraw/zinc/03/83/90/488038390.db2.gz VICAYMJGHVEFFU-CQSZACIVSA-N 1 3 236.359 1.608 20 0 BDADHO Cc1csc(CCN[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000084221764 488038697 /nfs/dbraw/zinc/03/86/97/488038697.db2.gz OIGBYRWSIAUOEA-GHMZBOCLSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1csc(CC[NH2+][C@@H]2CCC[C@@H]2CN)n1 ZINC000084221764 488038704 /nfs/dbraw/zinc/03/87/04/488038704.db2.gz OIGBYRWSIAUOEA-GHMZBOCLSA-N 1 3 239.388 1.711 20 0 BDADHO CO[C@H](C)CN(C[C@@H]1CC[NH2+]C1)C(C)C ZINC000390818953 488045618 /nfs/dbraw/zinc/04/56/18/488045618.db2.gz RZJKQILOYBMZDU-VXGBXAGGSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000389609159 488103162 /nfs/dbraw/zinc/10/31/62/488103162.db2.gz AMERIRAXSCCHQN-SRVKXCTJSA-N 1 3 212.337 1.082 20 0 BDADHO COC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000389609159 488103165 /nfs/dbraw/zinc/10/31/65/488103165.db2.gz AMERIRAXSCCHQN-SRVKXCTJSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CN)c1 ZINC000669508421 488109309 /nfs/dbraw/zinc/10/93/09/488109309.db2.gz WMGNESODXITJRY-CHWSQXEVSA-N 1 3 247.342 1.472 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667775316 488117864 /nfs/dbraw/zinc/11/78/64/488117864.db2.gz JATVTJIJTIFOJC-KGLIPLIRSA-N 1 3 240.391 1.874 20 0 BDADHO CCN1CCC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070086535 487537980 /nfs/dbraw/zinc/53/79/80/487537980.db2.gz DCNVHKRCSFVOMG-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCOC1 ZINC000674302563 487554835 /nfs/dbraw/zinc/55/48/35/487554835.db2.gz ODKFQALZJDVPKP-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCOC1 ZINC000674302563 487554836 /nfs/dbraw/zinc/55/48/36/487554836.db2.gz ODKFQALZJDVPKP-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO Cc1nnc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000391805605 487493504 /nfs/dbraw/zinc/49/35/04/487493504.db2.gz GCTVNRKQMRRUBX-NXEZZACHSA-N 1 3 240.376 1.249 20 0 BDADHO CC1(C)CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662257601 487493571 /nfs/dbraw/zinc/49/35/71/487493571.db2.gz OPDOZLMINWOQPE-NSHDSACASA-N 1 3 224.348 1.382 20 0 BDADHO CC1(C)CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662257601 487493579 /nfs/dbraw/zinc/49/35/79/487493579.db2.gz OPDOZLMINWOQPE-NSHDSACASA-N 1 3 224.348 1.382 20 0 BDADHO C[NH+](C)Cc1cccc(CNC(=O)C(C)(C)N)c1 ZINC000164416818 487834046 /nfs/dbraw/zinc/83/40/46/487834046.db2.gz PZLKLYQPFLZUOT-UHFFFAOYSA-N 1 3 249.358 1.102 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CCCF)C2 ZINC000379658395 488147091 /nfs/dbraw/zinc/14/70/91/488147091.db2.gz NJIZWTFKUJIUTF-QWRGUYRKSA-N 1 3 200.301 1.407 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCF)C2 ZINC000379658395 488147097 /nfs/dbraw/zinc/14/70/97/488147097.db2.gz NJIZWTFKUJIUTF-QWRGUYRKSA-N 1 3 200.301 1.407 20 0 BDADHO CCCN1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000397830282 488158155 /nfs/dbraw/zinc/15/81/55/488158155.db2.gz MTVQJHRTEYKCBR-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CCC[NH+]1CCC(NCC2(N(C)C)CC2)CC1 ZINC000397830282 488158159 /nfs/dbraw/zinc/15/81/59/488158159.db2.gz MTVQJHRTEYKCBR-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CCN1CCN(c2cc[nH+]cc2C)C[C@@H]1C ZINC000684579379 488328866 /nfs/dbraw/zinc/32/88/66/488328866.db2.gz JJWOBTLJKFNEGL-LBPRGKRZSA-N 1 3 219.332 1.920 20 0 BDADHO Cc1n[nH]cc1[C@H](C)NCC1=CC[N@H+](C)CC1 ZINC000679359887 488345608 /nfs/dbraw/zinc/34/56/08/488345608.db2.gz RQBPPSMWWMWZRO-JTQLQIEISA-N 1 3 234.347 1.631 20 0 BDADHO Cc1n[nH]cc1[C@H](C)NCC1=CC[N@@H+](C)CC1 ZINC000679359887 488345610 /nfs/dbraw/zinc/34/56/10/488345610.db2.gz RQBPPSMWWMWZRO-JTQLQIEISA-N 1 3 234.347 1.631 20 0 BDADHO Cn1cncc1CCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000314623479 490092234 /nfs/dbraw/zinc/09/22/34/490092234.db2.gz BSQSFRLCMBUIHX-AWEZNQCLSA-N 1 3 248.374 1.038 20 0 BDADHO C(CN[C@H]1CCCOC1)C[NH+]1CCCCC1 ZINC000070011706 490196291 /nfs/dbraw/zinc/19/62/91/490196291.db2.gz AOPSUTFMPSWTPZ-ZDUSSCGKSA-N 1 3 226.364 1.631 20 0 BDADHO [NH3+]CCCN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000415121860 490214780 /nfs/dbraw/zinc/21/47/80/490214780.db2.gz KYLFOKRPWZSZRP-QWHCGFSZSA-N 1 3 220.316 1.143 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243633 /nfs/dbraw/zinc/24/36/33/490243633.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 1 3 208.349 1.813 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243641 /nfs/dbraw/zinc/24/36/41/490243641.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243646 /nfs/dbraw/zinc/24/36/46/490243646.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000661972343 490243648 /nfs/dbraw/zinc/24/36/48/490243648.db2.gz PPNJTGPXMOTKGV-RWMBFGLXSA-N 1 3 208.349 1.813 20 0 BDADHO C[C@@H](CC1CCC1)[NH2+]CCOCCN(C)C ZINC000219322517 491132973 /nfs/dbraw/zinc/13/29/73/491132973.db2.gz GDGAGQIORXJCPH-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](NCC1(N(C)C)CCC1)[C@H]1CCC[NH2+]1 ZINC000400502470 533833003 /nfs/dbraw/zinc/83/30/03/533833003.db2.gz CLFOGIFZAPOPJR-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C)CCCCN1 ZINC000495147012 533843438 /nfs/dbraw/zinc/84/34/38/533843438.db2.gz NCZRVRLKGYAOIV-DGCLKSJQSA-N 1 3 241.379 1.152 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000070656798 535760979 /nfs/dbraw/zinc/76/09/79/535760979.db2.gz YOZXIHJQUCYXSM-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@@H](COC)NC[C@@H](C)C[NH+]1CCCC1 ZINC000070656798 535760987 /nfs/dbraw/zinc/76/09/87/535760987.db2.gz YOZXIHJQUCYXSM-OLZOCXBDSA-N 1 3 228.380 1.733 20 0 BDADHO CC[NH+]1CCC(NC[C@H](O)c2ccccc2)CC1 ZINC000035112687 517656994 /nfs/dbraw/zinc/65/69/94/517656994.db2.gz IOEHAYAYHUCYJN-HNNXBMFYSA-N 1 3 248.370 1.794 20 0 BDADHO C[C@H]1COCCC[N@@H+]1CC1CCN(C)CC1 ZINC000892077441 582786805 /nfs/dbraw/zinc/78/68/05/582786805.db2.gz SDWLBVGILHRANB-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@H]1COCCC[N@H+]1CC1CCN(C)CC1 ZINC000892077441 582786809 /nfs/dbraw/zinc/78/68/09/582786809.db2.gz SDWLBVGILHRANB-LBPRGKRZSA-N 1 3 226.364 1.439 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494686564 528463516 /nfs/dbraw/zinc/46/35/16/528463516.db2.gz OVYRDIGQNGEYPF-JQWIXIFHSA-N 1 3 229.368 1.138 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494686565 528463672 /nfs/dbraw/zinc/46/36/72/528463672.db2.gz OVYRDIGQNGEYPF-PWSUYJOCSA-N 1 3 229.368 1.138 20 0 BDADHO CCN(CCN[C@H](C)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000400721424 528517703 /nfs/dbraw/zinc/51/77/03/528517703.db2.gz OPQZJLAHFPCJKX-YPMHNXCESA-N 1 3 225.380 1.201 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226867955 535048884 /nfs/dbraw/zinc/04/88/84/535048884.db2.gz WAFJYAZLLNGTOU-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867955 535048888 /nfs/dbraw/zinc/04/88/88/535048888.db2.gz WAFJYAZLLNGTOU-TUAOUCFPSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)COCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261540675 535177446 /nfs/dbraw/zinc/17/74/46/535177446.db2.gz HBYNSQKINFBVAB-MELADBBJSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000261547611 535292528 /nfs/dbraw/zinc/29/25/28/535292528.db2.gz IGBCSPZRKBMWGM-XQQFMLRXSA-N 1 3 240.391 1.658 20 0 BDADHO CCCn1cc(CN2CCC(C[NH3+])CC2)cn1 ZINC000219453550 535607720 /nfs/dbraw/zinc/60/77/20/535607720.db2.gz KJONRPRUQKTGPQ-UHFFFAOYSA-N 1 3 236.363 1.464 20 0 BDADHO CCOC(=O)CC[N@H+](C)CC[C@@H]1CCCN1C ZINC000348064840 535643536 /nfs/dbraw/zinc/64/35/36/535643536.db2.gz ASHCASCAFZPPFE-LBPRGKRZSA-N 1 3 242.363 1.356 20 0 BDADHO CCOC(=O)CC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000348064840 535643542 /nfs/dbraw/zinc/64/35/42/535643542.db2.gz ASHCASCAFZPPFE-LBPRGKRZSA-N 1 3 242.363 1.356 20 0 BDADHO COCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000250481231 536590162 /nfs/dbraw/zinc/59/01/62/536590162.db2.gz WJCRKKMTMXPTBX-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975430 536647536 /nfs/dbraw/zinc/64/75/36/536647536.db2.gz FTUCYSMDRGAKGI-NWDGAFQWSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261536540 536707882 /nfs/dbraw/zinc/70/78/82/536707882.db2.gz SBMKYFRDUKQKNM-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261536540 536707889 /nfs/dbraw/zinc/70/78/89/536707889.db2.gz SBMKYFRDUKQKNM-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261536540 536707893 /nfs/dbraw/zinc/70/78/93/536707893.db2.gz SBMKYFRDUKQKNM-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO COc1ccccc1CCNC[C@@H]1CCC[NH2+]C1 ZINC000230285657 537039025 /nfs/dbraw/zinc/03/90/25/537039025.db2.gz XBNCXVBNKJTKGZ-CYBMUJFWSA-N 1 3 248.370 1.827 20 0 BDADHO COc1ccccc1CC[NH2+]C[C@@H]1CCCNC1 ZINC000230285657 537039028 /nfs/dbraw/zinc/03/90/28/537039028.db2.gz XBNCXVBNKJTKGZ-CYBMUJFWSA-N 1 3 248.370 1.827 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000302512071 583161489 /nfs/dbraw/zinc/16/14/89/583161489.db2.gz CHHPQSKGXLYCRM-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CCC2SCCS2)C1 ZINC000853023456 588716716 /nfs/dbraw/zinc/71/67/16/588716716.db2.gz XPZZLBVZZNXQDX-NSHDSACASA-N 1 3 246.445 1.853 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CCC2SCCS2)C1 ZINC000853023456 588716717 /nfs/dbraw/zinc/71/67/17/588716717.db2.gz XPZZLBVZZNXQDX-NSHDSACASA-N 1 3 246.445 1.853 20 0 BDADHO C[C@@]1(C[NH3+])CCN(CCC2SCCS2)C1 ZINC000853023456 588716718 /nfs/dbraw/zinc/71/67/18/588716718.db2.gz XPZZLBVZZNXQDX-NSHDSACASA-N 1 3 246.445 1.853 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H](O)c2ccccc21 ZINC000854229309 588780834 /nfs/dbraw/zinc/78/08/34/588780834.db2.gz KRPXOVJBXNYWOJ-HPEDKQMDSA-N 1 3 246.354 1.882 20 0 BDADHO CC/C=C/CNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849035264 582836477 /nfs/dbraw/zinc/83/64/77/582836477.db2.gz BOHZEJXIUCABCB-FYJFLYSWSA-N 1 3 238.379 1.551 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C2CSC2)C1 ZINC000393685627 582915792 /nfs/dbraw/zinc/91/57/92/582915792.db2.gz YOPQUGUOKPBIDE-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccncc2CO)C1 ZINC000892824727 582989787 /nfs/dbraw/zinc/98/97/87/582989787.db2.gz UEDWGRUMYBICBS-CHWSQXEVSA-N 1 3 249.358 1.281 20 0 BDADHO C[C@H]1C[C@@H](Nc2ccncc2CO)C[N@@H+]1C1CC1 ZINC000892875628 583001970 /nfs/dbraw/zinc/00/19/70/583001970.db2.gz HEOIOACYRPJDHV-CMPLNLGQSA-N 1 3 247.342 1.033 20 0 BDADHO C[C@H]1C[C@@H](Nc2ccncc2CO)C[N@H+]1C1CC1 ZINC000892875628 583001971 /nfs/dbraw/zinc/00/19/71/583001971.db2.gz HEOIOACYRPJDHV-CMPLNLGQSA-N 1 3 247.342 1.033 20 0 BDADHO CC[C@@H]1CC[C@@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000302512071 583161486 /nfs/dbraw/zinc/16/14/86/583161486.db2.gz CHHPQSKGXLYCRM-ZIAGYGMSSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)[C@H](C)CN1C ZINC000893668432 583191566 /nfs/dbraw/zinc/19/15/66/583191566.db2.gz FJVUPDOEYQSXKL-CHWSQXEVSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)[C@H](C)CN1C ZINC000893668432 583191570 /nfs/dbraw/zinc/19/15/70/583191570.db2.gz FJVUPDOEYQSXKL-CHWSQXEVSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1CNC1 ZINC000857253172 588901297 /nfs/dbraw/zinc/90/12/97/588901297.db2.gz IFYSSOXNZOTOAD-APPZFPTMSA-N 1 3 237.174 1.768 20 0 BDADHO C[NH+](C)C1CCC(Nc2ccncc2CO)CC1 ZINC000894245835 583389649 /nfs/dbraw/zinc/38/96/49/583389649.db2.gz GSRVNVTZTJSVTC-UHFFFAOYSA-N 1 3 249.358 1.281 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000894708056 583512211 /nfs/dbraw/zinc/51/22/11/583512211.db2.gz RFEYJTYAOPHFRE-LBPRGKRZSA-N 1 3 248.317 1.030 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@@](O)(C(F)F)C2)CC1 ZINC000894708056 583512212 /nfs/dbraw/zinc/51/22/12/583512212.db2.gz RFEYJTYAOPHFRE-LBPRGKRZSA-N 1 3 248.317 1.030 20 0 BDADHO C[NH+](C)CCCCN[C@@H]1CCCc2c[nH]nc21 ZINC000857851941 588912916 /nfs/dbraw/zinc/91/29/16/588912916.db2.gz SSLHKWCLQIUOKW-GFCCVEGCSA-N 1 3 236.363 1.719 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000335064900 583605355 /nfs/dbraw/zinc/60/53/55/583605355.db2.gz XLWNWGJQAXRZPG-IINYFYTJSA-N 1 3 232.327 1.557 20 0 BDADHO COc1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000895204900 583625194 /nfs/dbraw/zinc/62/51/94/583625194.db2.gz JWVIRGWVPMGPOX-PHIMTYICSA-N 1 3 238.331 1.718 20 0 BDADHO CS[C@@H]1CC[C@@H]1NCC[C@H](C)[NH+](C)C ZINC000895291363 583636934 /nfs/dbraw/zinc/63/69/34/583636934.db2.gz FAJPIINLFCTBEI-GARJFASQSA-N 1 3 216.394 1.810 20 0 BDADHO CS[C@@H]1CC[C@@H]1[NH2+]CC[C@H](C)N(C)C ZINC000895291363 583636933 /nfs/dbraw/zinc/63/69/33/583636933.db2.gz FAJPIINLFCTBEI-GARJFASQSA-N 1 3 216.394 1.810 20 0 BDADHO C[C@@H](Cc1cnccn1)NCC[C@H](C)[NH+](C)C ZINC000895293825 583639607 /nfs/dbraw/zinc/63/96/07/583639607.db2.gz ROAZHOHNRXDUMA-RYUDHWBXSA-N 1 3 236.363 1.337 20 0 BDADHO C[C@@H](Cc1cnccn1)[NH2+]CC[C@H](C)N(C)C ZINC000895293825 583639608 /nfs/dbraw/zinc/63/96/08/583639608.db2.gz ROAZHOHNRXDUMA-RYUDHWBXSA-N 1 3 236.363 1.337 20 0 BDADHO C[C@H](CC[NH2+][C@@H](C)CCn1cccn1)N(C)C ZINC000895293641 583639625 /nfs/dbraw/zinc/63/96/25/583639625.db2.gz ITCVHFMCFHBTSV-QWHCGFSZSA-N 1 3 238.379 1.592 20 0 BDADHO CN1CC[C@@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000858127597 588934420 /nfs/dbraw/zinc/93/44/20/588934420.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858127597 588934421 /nfs/dbraw/zinc/93/44/21/588934421.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858127597 588934422 /nfs/dbraw/zinc/93/44/22/588934422.db2.gz JRVKPMQUPFJKBG-VXGBXAGGSA-N 1 3 225.380 1.153 20 0 BDADHO C[N@H+]1CC=C(CNCc2ccnc(F)c2)CC1 ZINC000858155105 588936243 /nfs/dbraw/zinc/93/62/43/588936243.db2.gz AJKFBDXOAHJYJB-UHFFFAOYSA-N 1 3 235.306 1.572 20 0 BDADHO C[N@@H+]1CC=C(CNCc2ccnc(F)c2)CC1 ZINC000858155105 588936245 /nfs/dbraw/zinc/93/62/45/588936245.db2.gz AJKFBDXOAHJYJB-UHFFFAOYSA-N 1 3 235.306 1.572 20 0 BDADHO C[C@H]1CC[C@@H](C[N@H+](C)C2CCNCC2)O1 ZINC000232018115 583849211 /nfs/dbraw/zinc/84/92/11/583849211.db2.gz AJZYNOCKPXLSPA-JQWIXIFHSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@H]1CC[C@@H](C[N@@H+](C)C2CCNCC2)O1 ZINC000232018115 583849213 /nfs/dbraw/zinc/84/92/13/583849213.db2.gz AJZYNOCKPXLSPA-JQWIXIFHSA-N 1 3 212.337 1.238 20 0 BDADHO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCNC12CCC2 ZINC000863483218 583992115 /nfs/dbraw/zinc/99/21/15/583992115.db2.gz RRACLEQDUGDOLB-JHJVBQTASA-N 1 3 238.375 1.676 20 0 BDADHO C[N@@H+]1C[C@@H]2CN(CCC[C@H]3CCO3)C[C@]2(C)C1 ZINC000897620076 584032717 /nfs/dbraw/zinc/03/27/17/584032717.db2.gz GKNFWMBHCDDDMU-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1C[C@@H]2CN(CCC[C@H]3CCO3)C[C@]2(C)C1 ZINC000897620076 584032718 /nfs/dbraw/zinc/03/27/18/584032718.db2.gz GKNFWMBHCDDDMU-RDBSUJKOSA-N 1 3 238.375 1.439 20 0 BDADHO CCC[C@@H](CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000897620274 584032812 /nfs/dbraw/zinc/03/28/12/584032812.db2.gz KOJHDTFSLNOKFP-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CCC[C@@H](CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000897620274 584032814 /nfs/dbraw/zinc/03/28/14/584032814.db2.gz KOJHDTFSLNOKFP-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000897818105 584051163 /nfs/dbraw/zinc/05/11/63/584051163.db2.gz FDOGGJZXWWICTD-OYFCHPHHSA-N 1 3 248.370 1.379 20 0 BDADHO C1[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000897818105 584051165 /nfs/dbraw/zinc/05/11/65/584051165.db2.gz FDOGGJZXWWICTD-OYFCHPHHSA-N 1 3 248.370 1.379 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203180 584090494 /nfs/dbraw/zinc/09/04/94/584090494.db2.gz GJNTYSFQVSPHLQ-BFHYXJOUSA-N 1 3 238.375 1.364 20 0 BDADHO O[C@H](CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000898203180 584090495 /nfs/dbraw/zinc/09/04/95/584090495.db2.gz GJNTYSFQVSPHLQ-BFHYXJOUSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000841049839 584124702 /nfs/dbraw/zinc/12/47/02/584124702.db2.gz WSJNZBVKFIIVCR-ZNSHCXBVSA-N 1 3 246.445 1.550 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CC(C)(C)CO1 ZINC000873281630 584128487 /nfs/dbraw/zinc/12/84/87/584128487.db2.gz NHCCDUQNOZOFRN-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873281630 584128488 /nfs/dbraw/zinc/12/84/88/584128488.db2.gz NHCCDUQNOZOFRN-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO COc1ccc(-c2cnn(C)c2CN)c(C[NH3+])c1 ZINC000899324314 584196789 /nfs/dbraw/zinc/19/67/89/584196789.db2.gz YGZKBZBNFWNQEA-UHFFFAOYSA-N 1 3 246.314 1.013 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNc2ccnc(CO)c2)C1 ZINC000858615828 588971542 /nfs/dbraw/zinc/97/15/42/588971542.db2.gz MCQUGUHKHNJZCP-GSJFWJNXSA-N 1 3 235.331 1.326 20 0 BDADHO CC[C@H](C)[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902321133 584552031 /nfs/dbraw/zinc/55/20/31/584552031.db2.gz UXISSJKIGLVDCJ-AVGNSLFASA-N 1 3 242.407 1.761 20 0 BDADHO CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902321133 584552032 /nfs/dbraw/zinc/55/20/32/584552032.db2.gz UXISSJKIGLVDCJ-AVGNSLFASA-N 1 3 242.407 1.761 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCCc2ccccn2)C1 ZINC000902319967 584552407 /nfs/dbraw/zinc/55/24/07/584552407.db2.gz NRFNIZODKHBMHG-AWEZNQCLSA-N 1 3 247.386 1.992 20 0 BDADHO COCCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902346252 584558255 /nfs/dbraw/zinc/55/82/55/584558255.db2.gz NVQDJIFHQHCJMX-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO CCOCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347189 584559123 /nfs/dbraw/zinc/55/91/23/584559123.db2.gz GHLTXLWCLCTKNH-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@@H](CCO)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902335847 584564835 /nfs/dbraw/zinc/56/48/35/584564835.db2.gz CHJFDVCHYPMLCI-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO CC[C@@H](CCO)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902358691 584570862 /nfs/dbraw/zinc/57/08/62/584570862.db2.gz CMIIGRRBXBOHJZ-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NC[C@H](O)C2CCC2)C1 ZINC000902386286 584578608 /nfs/dbraw/zinc/57/86/08/584578608.db2.gz DXNSXXWNMATXEF-STQMWFEESA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000902386286 584578609 /nfs/dbraw/zinc/57/86/09/584578609.db2.gz DXNSXXWNMATXEF-STQMWFEESA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CCC2(CO)CC2)C1 ZINC000902385991 584578651 /nfs/dbraw/zinc/57/86/51/584578651.db2.gz CKMBFOLSUXPBFT-LBPRGKRZSA-N 1 3 240.391 1.517 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000902391462 584581748 /nfs/dbraw/zinc/58/17/48/584581748.db2.gz GEOOMLPYWBOHPH-STQMWFEESA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H](CO)C2CCC2)C1 ZINC000902391462 584581749 /nfs/dbraw/zinc/58/17/49/584581749.db2.gz GEOOMLPYWBOHPH-STQMWFEESA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000902391460 584582401 /nfs/dbraw/zinc/58/24/01/584582401.db2.gz GEOOMLPYWBOHPH-QWHCGFSZSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@H](CO)C2CCC2)C1 ZINC000902391460 584582403 /nfs/dbraw/zinc/58/24/03/584582403.db2.gz GEOOMLPYWBOHPH-QWHCGFSZSA-N 1 3 240.391 1.515 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCNCC(C)(C)C2)C1 ZINC000902394807 584584472 /nfs/dbraw/zinc/58/44/72/584584472.db2.gz DKVFFRWUYWOXOX-UPJWGTAASA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@H]2CCNCC(C)(C)C2)C1 ZINC000902401782 584587159 /nfs/dbraw/zinc/58/71/59/584587159.db2.gz DKVFFRWUYWOXOX-AVGNSLFASA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902473957 584602058 /nfs/dbraw/zinc/60/20/58/584602058.db2.gz AWJMYYYNLJTCQN-RGDJUOJXSA-N 1 3 238.375 1.673 20 0 BDADHO COC1CCC([NH2+][C@@H]2CNCC2(C)C)CC1 ZINC000902448369 584605611 /nfs/dbraw/zinc/60/56/11/584605611.db2.gz DNGMKZJCKHUHOD-HTAVTVPLSA-N 1 3 226.364 1.532 20 0 BDADHO COCCC[C@@H](C)[NH2+][C@@H]1CNCC1(C)C ZINC000902450128 584606198 /nfs/dbraw/zinc/60/61/98/584606198.db2.gz RBJBHHNWCMXCGW-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CNCC1(C)C ZINC000902451837 584607369 /nfs/dbraw/zinc/60/73/69/584607369.db2.gz YJAAAMFZLGPKHP-WCQYABFASA-N 1 3 240.391 1.779 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc3nonc3c2)C1 ZINC000902452809 584608269 /nfs/dbraw/zinc/60/82/69/584608269.db2.gz BDKBPNHJMBQWMO-WDEREUQCSA-N 1 3 246.314 1.582 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCC(C)(C)C1 ZINC000902456380 584609969 /nfs/dbraw/zinc/60/99/69/584609969.db2.gz OMMUHHKQWYTZDT-CHWSQXEVSA-N 1 3 239.407 1.306 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2nonc2c1 ZINC000902456501 584610211 /nfs/dbraw/zinc/61/02/11/584610211.db2.gz PJZXFSUJIJBNJT-IUCAKERBSA-N 1 3 234.303 1.438 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902456799 584610515 /nfs/dbraw/zinc/61/05/15/584610515.db2.gz PPTAVEVIUQPNJB-KYTCRMMBSA-N 1 3 238.375 1.517 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462325 584612435 /nfs/dbraw/zinc/61/24/35/584612435.db2.gz UPYMUJRYSVNCKP-FVCCEPFGSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000902462328 584612538 /nfs/dbraw/zinc/61/25/38/584612538.db2.gz UPYMUJRYSVNCKP-ZDEQEGDKSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470647 584616733 /nfs/dbraw/zinc/61/67/33/584616733.db2.gz ZHLKRBOALATZSU-KIJLLGNVSA-N 1 3 208.349 1.904 20 0 BDADHO CC(C)[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471951 584617529 /nfs/dbraw/zinc/61/75/29/584617529.db2.gz VGXSIXXNCPMDCR-UMSGYPCISA-N 1 3 208.349 1.904 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC[C@H](O)C2CC2)C1 ZINC000902501456 584620387 /nfs/dbraw/zinc/62/03/87/584620387.db2.gz BJZNXFRBKSHWCK-OLZOCXBDSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000902501456 584620389 /nfs/dbraw/zinc/62/03/89/584620389.db2.gz BJZNXFRBKSHWCK-OLZOCXBDSA-N 1 3 240.391 1.515 20 0 BDADHO O[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000902503863 584621269 /nfs/dbraw/zinc/62/12/69/584621269.db2.gz LJPRBSSSGJNUMH-HNGCFSAESA-N 1 3 224.348 1.020 20 0 BDADHO O[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000902503864 584621375 /nfs/dbraw/zinc/62/13/75/584621375.db2.gz LJPRBSSSGJNUMH-ZGVCCVRISA-N 1 3 224.348 1.020 20 0 BDADHO [NH3+]C[C@H]1C[C@H](N[C@@H]2CCCc3cccnc32)C1 ZINC000902483785 584624632 /nfs/dbraw/zinc/62/46/32/584624632.db2.gz BSNIVWGFVKEBKF-RAIGVLPGSA-N 1 3 231.343 1.786 20 0 BDADHO CC[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902487096 584625947 /nfs/dbraw/zinc/62/59/47/584625947.db2.gz JPWCRYQDILRRTM-DCAQKATOSA-N 1 3 222.336 1.198 20 0 BDADHO CC(C)n1cc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)cn1 ZINC000902486582 584626233 /nfs/dbraw/zinc/62/62/33/584626233.db2.gz HGROIKKRLVPSCZ-NQBHXWOUSA-N 1 3 236.363 1.852 20 0 BDADHO Cc1ccc([C@@H](C)N[C@H]2C[C@H](C[NH3+])C2)o1 ZINC000902488477 584626421 /nfs/dbraw/zinc/62/64/21/584626421.db2.gz MTRGWEOPTNOIEE-GMTAPVOTSA-N 1 3 208.305 1.976 20 0 BDADHO Cc1n[nH]cc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487651 584626429 /nfs/dbraw/zinc/62/64/29/584626429.db2.gz LJGGHLAHWAFDLJ-HGNGGELXSA-N 1 3 208.309 1.106 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902516554 584630142 /nfs/dbraw/zinc/63/01/42/584630142.db2.gz DJPZKDFVJSWXPW-RDBQEKCUSA-N 1 3 234.343 1.360 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902518155 584630917 /nfs/dbraw/zinc/63/09/17/584630917.db2.gz LCOZYAZPXHWGBE-RFQIPJPRSA-N 1 3 238.375 1.519 20 0 BDADHO C[C@@H]1[C@H]([NH2+][C@@H]2CCN(C)C(C)(C)C2)CCN1C ZINC000903300687 584744184 /nfs/dbraw/zinc/74/41/84/584744184.db2.gz LFVNRJNAQFLUTL-JHJVBQTASA-N 1 3 239.407 1.541 20 0 BDADHO CCN(C[C@@H]1CCOC1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430822 584761678 /nfs/dbraw/zinc/76/16/78/584761678.db2.gz CXKSJPHGKWQURH-AGIUHOORSA-N 1 3 226.364 1.200 20 0 BDADHO CC(C)CO[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441490 584764024 /nfs/dbraw/zinc/76/40/24/584764024.db2.gz USVTZVYEAUNTRU-RDBSUJKOSA-N 1 3 240.391 1.589 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCNCc2ccccc21 ZINC000903423593 584764194 /nfs/dbraw/zinc/76/41/94/584764194.db2.gz XUUUZBICOQDJDT-OCCSQVGLSA-N 1 3 245.370 1.452 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903422342 584764598 /nfs/dbraw/zinc/76/45/98/584764598.db2.gz YZNXESREWWWVGL-YFKTTZPYSA-N 1 3 244.329 1.948 20 0 BDADHO c1ccc([C@H]2CNCCN2C[C@H]2CCC[NH2+]2)cc1 ZINC000903459456 584766189 /nfs/dbraw/zinc/76/61/89/584766189.db2.gz TYGVBJOEXWCUDR-HUUCEWRRSA-N 1 3 245.370 1.385 20 0 BDADHO CC[C@@H]1C[C@H]1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903464939 584767277 /nfs/dbraw/zinc/76/72/77/584767277.db2.gz ZWKZIOGTECERQO-MROQNXINSA-N 1 3 208.349 1.846 20 0 BDADHO C[C@@]1(CN)CC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453093 584772732 /nfs/dbraw/zinc/77/27/32/584772732.db2.gz ZBMBXEISQQMUOC-USZNOCQGSA-N 1 3 244.329 1.948 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453093 584772734 /nfs/dbraw/zinc/77/27/34/584772734.db2.gz ZBMBXEISQQMUOC-USZNOCQGSA-N 1 3 244.329 1.948 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903453093 584772735 /nfs/dbraw/zinc/77/27/35/584772735.db2.gz ZBMBXEISQQMUOC-USZNOCQGSA-N 1 3 244.329 1.948 20 0 BDADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1C[C@@]12CCOC2 ZINC000903470943 584775455 /nfs/dbraw/zinc/77/54/55/584775455.db2.gz DXZFKHZQLVTVFB-RWMBFGLXSA-N 1 3 236.359 1.287 20 0 BDADHO Cc1cc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)nc(C)n1 ZINC000903498342 584780163 /nfs/dbraw/zinc/78/01/63/584780163.db2.gz DTUUFONCSUMAPZ-ZWNOBZJWSA-N 1 3 248.374 1.510 20 0 BDADHO CC(C)(C)OC[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000903563676 584782010 /nfs/dbraw/zinc/78/20/10/584782010.db2.gz IOEFPVSRINWHQK-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+]C[C@H]1CCN(Cc2ccccc2CF)C1 ZINC000903717060 584792106 /nfs/dbraw/zinc/79/21/06/584792106.db2.gz YNWNSPQICOTZGU-LLVKDONJSA-N 1 3 222.307 1.937 20 0 BDADHO OC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903752714 584795719 /nfs/dbraw/zinc/79/57/19/584795719.db2.gz UQSDSNQHUBENIV-UHFFFAOYSA-N 1 3 246.354 1.289 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCSC[C@@H]1C ZINC000903832869 584806342 /nfs/dbraw/zinc/80/63/42/584806342.db2.gz SDSMDSTYSMQLCE-WOPDTQHZSA-N 1 3 228.405 1.669 20 0 BDADHO CCOCCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903857983 584809981 /nfs/dbraw/zinc/80/99/81/584809981.db2.gz XDBTYOVOZABXMR-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+][C@H](CC(F)F)CN(CCO)C1CCCC1 ZINC000903872025 584815095 /nfs/dbraw/zinc/81/50/95/584815095.db2.gz AXGYEEOVFUYLLA-SECBINFHSA-N 1 3 236.306 1.206 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1C[C@H]([NH3+])CC(F)F ZINC000903903561 584821335 /nfs/dbraw/zinc/82/13/35/584821335.db2.gz VRDYRVXZDFZBCC-MNOVXSKESA-N 1 3 249.349 1.241 20 0 BDADHO Cc1noc(C)c1CNCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922417 584823731 /nfs/dbraw/zinc/82/37/31/584823731.db2.gz WVILGXBSOUYVBD-YHWZYXNKSA-N 1 3 249.358 1.912 20 0 BDADHO COC[C@@H](CC(C)C)NCCC(C)(C)[NH3+] ZINC000903939419 584825335 /nfs/dbraw/zinc/82/53/35/584825335.db2.gz GUYHQMLBJSUUHW-LLVKDONJSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H]([NH3+])CC(F)F)[C@H](C)O1 ZINC000903935046 584825446 /nfs/dbraw/zinc/82/54/46/584825446.db2.gz LGWAMXBTZZJJEL-XAVMHZPKSA-N 1 3 222.279 1.124 20 0 BDADHO N[C@H](CNC[C@@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903918047 584826862 /nfs/dbraw/zinc/82/68/62/584826862.db2.gz QYPUHQUBVTYHMG-WDEREUQCSA-N 1 3 243.301 1.259 20 0 BDADHO NC[C@@H]([NH2+]C[C@@H](N)CC(F)F)C1CCCCC1 ZINC000903915872 584827029 /nfs/dbraw/zinc/82/70/29/584827029.db2.gz CQWPDEIUTKUASH-WDEREUQCSA-N 1 3 249.349 1.466 20 0 BDADHO CC(C)CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903972419 584832621 /nfs/dbraw/zinc/83/26/21/584832621.db2.gz IHPGQEVOGBFCJE-LBPRGKRZSA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000903966745 584834472 /nfs/dbraw/zinc/83/44/72/584834472.db2.gz AWTOWWIGJDEELS-RQJABVFESA-N 1 3 240.391 1.635 20 0 BDADHO COC(=O)C(C)(C)CCNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967101 584835127 /nfs/dbraw/zinc/83/51/27/584835127.db2.gz GWXZTDYJUYZOGE-GHMZBOCLSA-N 1 3 242.363 1.021 20 0 BDADHO CC[C@H]1C[C@H](C[N@@H+]2CCC[C@H](N)C2)CCO1 ZINC000903984670 584835670 /nfs/dbraw/zinc/83/56/70/584835670.db2.gz QSUKYNCTVXFONZ-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H]1C[C@H](C[N@H+]2CCC[C@H](N)C2)CCO1 ZINC000903984670 584835671 /nfs/dbraw/zinc/83/56/71/584835671.db2.gz QSUKYNCTVXFONZ-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO CC[N@H+](C[C@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000904310019 584862442 /nfs/dbraw/zinc/86/24/42/584862442.db2.gz UVZBZHNELGPPLF-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO CC[N@@H+](C[C@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000904310019 584862444 /nfs/dbraw/zinc/86/24/44/584862444.db2.gz UVZBZHNELGPPLF-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@]1(CN(CCCCO)C2CC2)CCC[NH2+]C1 ZINC000904321377 584864112 /nfs/dbraw/zinc/86/41/12/584864112.db2.gz YDZWOXLVLCHIGV-AWEZNQCLSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@]1(C[N@H+](CCCCO)C2CC2)CCCNC1 ZINC000904321377 584864113 /nfs/dbraw/zinc/86/41/13/584864113.db2.gz YDZWOXLVLCHIGV-AWEZNQCLSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@]1(C[N@@H+](CCCCO)C2CC2)CCCNC1 ZINC000904321377 584864114 /nfs/dbraw/zinc/86/41/14/584864114.db2.gz YDZWOXLVLCHIGV-AWEZNQCLSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H](c1ccccn1)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904329903 584866059 /nfs/dbraw/zinc/86/60/59/584866059.db2.gz UEWJOSHXBBIFDP-UTUOFQBUSA-N 1 3 219.332 1.812 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C2CC2)O1 ZINC000904342342 584867152 /nfs/dbraw/zinc/86/71/52/584867152.db2.gz DQYVGDGOYRRUQZ-AAXDQBDMSA-N 1 3 224.348 1.223 20 0 BDADHO Cc1cccc2c1CNCCN2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904358555 584872387 /nfs/dbraw/zinc/87/23/87/584872387.db2.gz PMWQFUPAKVFEJW-BETUJISGSA-N 1 3 245.370 1.642 20 0 BDADHO CCC(CC)[C@H](O)CNC[C@@]1(C)CCC[NH2+]C1 ZINC000904363701 584874423 /nfs/dbraw/zinc/87/44/23/584874423.db2.gz MFTCJBJRPNMNBV-KGLIPLIRSA-N 1 3 242.407 1.763 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000904363701 584874424 /nfs/dbraw/zinc/87/44/24/584874424.db2.gz MFTCJBJRPNMNBV-KGLIPLIRSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CN(Cc2cnc(N)s2)CC[C@@H]1C[NH3+] ZINC000904410288 584879265 /nfs/dbraw/zinc/87/92/65/584879265.db2.gz OACHMORCFNDFGG-RKDXNWHRSA-N 1 3 240.376 1.142 20 0 BDADHO Cc1ncsc1CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000904412403 584879561 /nfs/dbraw/zinc/87/95/61/584879561.db2.gz VHSVDSQSNCJDTO-KOLCDFICSA-N 1 3 239.388 1.868 20 0 BDADHO C([C@H]1CCSC1)[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420508 584882242 /nfs/dbraw/zinc/88/22/42/584882242.db2.gz RBEIZCVXEMCOCY-GRYCIOLGSA-N 1 3 226.389 1.281 20 0 BDADHO C([C@H]1CCSC1)[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420508 584882243 /nfs/dbraw/zinc/88/22/43/584882243.db2.gz RBEIZCVXEMCOCY-GRYCIOLGSA-N 1 3 226.389 1.281 20 0 BDADHO O[C@@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000838853716 585075087 /nfs/dbraw/zinc/07/50/87/585075087.db2.gz NHUNUQCBPCYMHJ-JSGCOSHPSA-N 1 3 238.375 1.175 20 0 BDADHO O[C@@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)C1CC1 ZINC000838853716 585075088 /nfs/dbraw/zinc/07/50/88/585075088.db2.gz NHUNUQCBPCYMHJ-JSGCOSHPSA-N 1 3 238.375 1.175 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969433 585082983 /nfs/dbraw/zinc/08/29/83/585082983.db2.gz XTWVLXZLTDSGHB-CHWSQXEVSA-N 1 3 226.364 1.173 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C2CC2)CC1 ZINC000838969433 585082984 /nfs/dbraw/zinc/08/29/84/585082984.db2.gz XTWVLXZLTDSGHB-CHWSQXEVSA-N 1 3 226.364 1.173 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)C2CC2)CC1 ZINC000838969433 585082985 /nfs/dbraw/zinc/08/29/85/585082985.db2.gz XTWVLXZLTDSGHB-CHWSQXEVSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1CC[C@H](C2CC2)O1)C1CC1 ZINC000886829909 585180658 /nfs/dbraw/zinc/18/06/58/585180658.db2.gz JEJLXJPFUAWUQI-BFHYXJOUSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CC[C@H](C2CC2)O1 ZINC000886839583 585182824 /nfs/dbraw/zinc/18/28/24/585182824.db2.gz HWYKUZDCSAPKRT-UPJWGTAASA-N 1 3 240.391 1.907 20 0 BDADHO CCC(=O)CCN1CCC(C[NH+](C)C)CC1 ZINC000753704676 585266548 /nfs/dbraw/zinc/26/65/48/585266548.db2.gz LXYDPTCROIVDOU-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO C[C@H](CCO)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000753767909 585268558 /nfs/dbraw/zinc/26/85/58/585268558.db2.gz GGYIOUJCQMVNIP-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CCO)NCC[C@H](C)[NH+]1CCCCC1 ZINC000753767909 585268559 /nfs/dbraw/zinc/26/85/59/585268559.db2.gz GGYIOUJCQMVNIP-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@@H]1CC(C)(C)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000839659410 585333764 /nfs/dbraw/zinc/33/37/64/585333764.db2.gz CTDRAHVYPKYSPK-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]1CC[C@H]1[NH2+]C1CCN(CCN(C)C)CC1 ZINC000783213089 585831005 /nfs/dbraw/zinc/83/10/05/585831005.db2.gz UPGNTJCOMFVRBG-GXTWGEPZSA-N 1 3 239.407 1.401 20 0 BDADHO COC[C@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000788484018 585925462 /nfs/dbraw/zinc/92/54/62/585925462.db2.gz UQOJIVGLJMXITK-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000788484018 585925463 /nfs/dbraw/zinc/92/54/63/585925463.db2.gz UQOJIVGLJMXITK-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325730 586600259 /nfs/dbraw/zinc/60/02/59/586600259.db2.gz JSQOUWZVMVPRBV-NWDGAFQWSA-N 1 3 249.358 1.780 20 0 BDADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325730 586600260 /nfs/dbraw/zinc/60/02/60/586600260.db2.gz JSQOUWZVMVPRBV-NWDGAFQWSA-N 1 3 249.358 1.780 20 0 BDADHO CSC(C)(C)C[NH2+][C@H](C)C[C@H](C)N ZINC000817898635 586834601 /nfs/dbraw/zinc/83/46/01/586834601.db2.gz IKTDKELPHVPBRW-DTWKUNHWSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCSC(F)(F)F ZINC000817888112 586831818 /nfs/dbraw/zinc/83/18/18/586831818.db2.gz ASGFXAGAGKLSME-RQJHMYQMSA-N 1 3 230.299 1.955 20 0 BDADHO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CCC[C@@H]1N ZINC000817888941 586831822 /nfs/dbraw/zinc/83/18/22/586831822.db2.gz LZSNYQAYZSWOGH-MELADBBJSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCOc1cccnc1 ZINC000817891829 586832035 /nfs/dbraw/zinc/83/20/35/586832035.db2.gz HPVDKHYASUEZOD-WDEREUQCSA-N 1 3 223.320 1.176 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1cccnc1 ZINC000817894429 586833734 /nfs/dbraw/zinc/83/37/34/586833734.db2.gz YTEMFCZULAGTOQ-JSGCOSHPSA-N 1 3 249.358 1.568 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](O)c1ccccc1 ZINC000817894320 586833854 /nfs/dbraw/zinc/83/38/54/586833854.db2.gz LLAKNQKJQUSKQS-DMDPSCGWSA-N 1 3 222.332 1.435 20 0 BDADHO CSCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)N ZINC000817894114 586834235 /nfs/dbraw/zinc/83/42/35/586834235.db2.gz BRHJXSWVENREKN-GUBZILKMSA-N 1 3 204.383 1.843 20 0 BDADHO CS[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000817897163 586834515 /nfs/dbraw/zinc/83/45/15/586834515.db2.gz GJTQOTPHOZWMPD-YFKTTZPYSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@H]2CNCC[C@@H]2C)cc1 ZINC000817895628 586834642 /nfs/dbraw/zinc/83/46/42/586834642.db2.gz WNWNZJBAJJFWLE-HUBLWGQQSA-N 1 3 248.370 1.828 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000817898065 586835478 /nfs/dbraw/zinc/83/54/78/586835478.db2.gz ZFGCFWMVZBDKMA-VPOLOUISSA-N 1 3 216.394 1.986 20 0 BDADHO Cc1cccc([C@H](O)C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000817910073 586838007 /nfs/dbraw/zinc/83/80/07/586838007.db2.gz JGVHVFWYNXTZTL-HZSPNIEDSA-N 1 3 234.343 1.498 20 0 BDADHO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000817910072 586838014 /nfs/dbraw/zinc/83/80/14/586838014.db2.gz JGVHVFWYNXTZTL-BFHYXJOUSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@H]1CCCN1CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000817913654 586838934 /nfs/dbraw/zinc/83/89/34/586838934.db2.gz PNMXYOWBRRLMLB-RDBSUJKOSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](NCC[C@@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923945 586840974 /nfs/dbraw/zinc/84/09/74/586840974.db2.gz ITLMSBPKNRVUKD-SWLSCSKDSA-N 1 3 248.370 1.482 20 0 BDADHO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)C1CNC1 ZINC000817923945 586840977 /nfs/dbraw/zinc/84/09/77/586840977.db2.gz ITLMSBPKNRVUKD-SWLSCSKDSA-N 1 3 248.370 1.482 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000817926671 586841567 /nfs/dbraw/zinc/84/15/67/586841567.db2.gz RBFMTAFRCZXUAQ-SCRDCRAPSA-N 1 3 236.359 1.744 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCc3n[nH]cc32)C1 ZINC000817970022 586856071 /nfs/dbraw/zinc/85/60/71/586856071.db2.gz JNWAIHLIPFLACX-SCVCMEIPSA-N 1 3 234.347 1.647 20 0 BDADHO CCn1nc(C)c(CN[C@H](C)CCCC[NH3+])n1 ZINC000818615842 586906695 /nfs/dbraw/zinc/90/66/95/586906695.db2.gz RIWYPSBKMACNQT-SNVBAGLBSA-N 1 3 239.367 1.214 20 0 BDADHO O[C@H](CNC1CC[NH+](C2CCC2)CC1)C1CC1 ZINC000819355005 586956389 /nfs/dbraw/zinc/95/63/89/586956389.db2.gz ONBRLSJXRIIDEB-CQSZACIVSA-N 1 3 238.375 1.364 20 0 BDADHO CC[C@H]1CN(CC)CCN1CC[NH+]1CCCC1 ZINC000831964686 587640135 /nfs/dbraw/zinc/64/01/35/587640135.db2.gz FQUZHTAUHHBUIO-AWEZNQCLSA-N 1 3 239.407 1.498 20 0 BDADHO N[C@@H](CNC(=O)CCCCC[NH3+])c1ccccc1 ZINC000832618569 587670221 /nfs/dbraw/zinc/67/02/21/587670221.db2.gz ADEWFNJUTBCZNU-ZDUSSCGKSA-N 1 3 249.358 1.322 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000841035646 587937845 /nfs/dbraw/zinc/93/78/45/587937845.db2.gz LLJURNODLDVLSF-ZDCRXTMVSA-N 1 3 246.445 1.693 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCC1CCOCC1 ZINC000841064241 587941796 /nfs/dbraw/zinc/94/17/96/587941796.db2.gz WMOUCGVDLBJMAI-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO CCCCC[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000841088390 587942972 /nfs/dbraw/zinc/94/29/72/587942972.db2.gz ZULYAENZMJQNLY-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO [NH3+]C[C@H]1CC[C@@H](NCc2cccnc2Cl)C1 ZINC000841084437 587945471 /nfs/dbraw/zinc/94/54/71/587945471.db2.gz JKMHMTKHZBBIIL-GXSJLCMTSA-N 1 3 239.750 1.952 20 0 BDADHO CCn1ccnc1CNCCCCCC[NH3+] ZINC000843126469 588084809 /nfs/dbraw/zinc/08/48/09/588084809.db2.gz GIUSAYBVZASDNQ-UHFFFAOYSA-N 1 3 224.352 1.512 20 0 BDADHO CCCCOC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000843356151 588103221 /nfs/dbraw/zinc/10/32/21/588103221.db2.gz RUUGOEXKOFOUSL-CYBMUJFWSA-N 1 3 242.363 1.437 20 0 BDADHO C[N@H+](Cc1ccc2c(c1)COC2)[C@@H](CN)C1CC1 ZINC000843386337 588105719 /nfs/dbraw/zinc/10/57/19/588105719.db2.gz HCUUXJQXEDTHKM-HNNXBMFYSA-N 1 3 246.354 1.886 20 0 BDADHO C[N@@H+](Cc1ccc2c(c1)COC2)[C@@H](CN)C1CC1 ZINC000843386337 588105720 /nfs/dbraw/zinc/10/57/20/588105720.db2.gz HCUUXJQXEDTHKM-HNNXBMFYSA-N 1 3 246.354 1.886 20 0 BDADHO CC(C)[C@H](C(=O)NCCCCCC[NH3+])N(C)C ZINC000844200242 588173139 /nfs/dbraw/zinc/17/31/39/588173139.db2.gz PLOLYJXLJSRWBB-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CC2CC[NH+](C)CC2)n1 ZINC000105458803 588173988 /nfs/dbraw/zinc/17/39/88/588173988.db2.gz ITQCFYSZALJQGR-UHFFFAOYSA-N 1 3 249.358 1.527 20 0 BDADHO CC(C)CN(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000845996416 588252967 /nfs/dbraw/zinc/25/29/67/588252967.db2.gz OHRQDSBRUAQFSA-CQSZACIVSA-N 1 3 242.407 1.981 20 0 BDADHO CNC[C@@](C)(O)C[NH+]1CCC(CC(C)C)CC1 ZINC000846219060 588260995 /nfs/dbraw/zinc/26/09/95/588260995.db2.gz DZUSGLCBRLLQKK-CQSZACIVSA-N 1 3 242.407 1.715 20 0 BDADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCF)C1 ZINC000846227759 588261916 /nfs/dbraw/zinc/26/19/16/588261916.db2.gz HDUNOFSXQZXOKI-GRYCIOLGSA-N 1 3 230.327 1.317 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000848716968 588408080 /nfs/dbraw/zinc/40/80/80/588408080.db2.gz PFFBBGXBFUEPRP-VNHYZAJKSA-N 1 3 248.370 1.888 20 0 BDADHO CC(C)NC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000848987025 588426201 /nfs/dbraw/zinc/42/62/01/588426201.db2.gz GIFSMUSIVZLZDY-RYUDHWBXSA-N 1 3 240.395 1.772 20 0 BDADHO CC(C)NC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000848987026 588426290 /nfs/dbraw/zinc/42/62/90/588426290.db2.gz GIFSMUSIVZLZDY-VXGBXAGGSA-N 1 3 240.395 1.772 20 0 BDADHO CCNC(=[NH2+])NCC1(CN(C)C)CCCC1 ZINC000849019017 588438103 /nfs/dbraw/zinc/43/81/03/588438103.db2.gz ZZMXCZANPDQVDP-UHFFFAOYSA-N 1 3 226.368 1.242 20 0 BDADHO C[NH2+]CC1CCN(CCOC(F)F)CC1 ZINC000852740400 588698365 /nfs/dbraw/zinc/69/83/65/588698365.db2.gz FGNLDSZOSKODNC-UHFFFAOYSA-N 1 3 222.279 1.157 20 0 BDADHO Cc1c(F)nccc1C[NH2+][C@@H](C)CCN(C)C ZINC000862274092 589197968 /nfs/dbraw/zinc/19/79/68/589197968.db2.gz FCRJWPUUXRGDFS-JTQLQIEISA-N 1 3 239.338 1.959 20 0 BDADHO [NH3+]CCCOCCNCc1ccc2c[nH]nc2c1 ZINC000863483495 589293055 /nfs/dbraw/zinc/29/30/55/589293055.db2.gz BUGTXPXGADYGGN-UHFFFAOYSA-N 1 3 248.330 1.018 20 0 BDADHO C([NH2+][C@@H]1CCNC12CCC2)C1CCOCC1 ZINC000863483585 589293132 /nfs/dbraw/zinc/29/31/32/589293132.db2.gz XVQHTWKYRULPIA-GFCCVEGCSA-N 1 3 224.348 1.287 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC23CCC3)CCO1 ZINC000863483746 589293162 /nfs/dbraw/zinc/29/31/62/589293162.db2.gz ZRVVHVGFZLQSAX-JHJVBQTASA-N 1 3 238.375 1.676 20 0 BDADHO COC(=O)C1=CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000863541453 589297414 /nfs/dbraw/zinc/29/74/14/589297414.db2.gz IXTBZLVADVWPDR-SRVKXCTJSA-N 1 3 238.331 1.108 20 0 BDADHO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000863541453 589297416 /nfs/dbraw/zinc/29/74/16/589297416.db2.gz IXTBZLVADVWPDR-SRVKXCTJSA-N 1 3 238.331 1.108 20 0 BDADHO NC(=[NH2+])NC[C@H]1CCN1C1CCCCCC1 ZINC000864357989 589355549 /nfs/dbraw/zinc/35/55/49/589355549.db2.gz CNJMFAYMJRVXLI-LLVKDONJSA-N 1 3 224.352 1.267 20 0 BDADHO C[C@H]1C[C@@H]1NC(=[NH2+])NCC(C)(C)CN(C)C ZINC000864451154 589364905 /nfs/dbraw/zinc/36/49/05/589364905.db2.gz DMIPCNNCTBJDPT-UWVGGRQHSA-N 1 3 226.368 1.097 20 0 BDADHO C[C@H](C1CC1)[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000866585207 589501991 /nfs/dbraw/zinc/50/19/91/589501991.db2.gz VMXNWGORPMTVET-WXHSDQCUSA-N 1 3 208.349 1.811 20 0 BDADHO C[C@H](C1CC1)[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000866585207 589501992 /nfs/dbraw/zinc/50/19/92/589501992.db2.gz VMXNWGORPMTVET-WXHSDQCUSA-N 1 3 208.349 1.811 20 0 BDADHO CCO[C@@H](CN1CC[NH2+]CCC1(C)C)C1CC1 ZINC000866697397 589512585 /nfs/dbraw/zinc/51/25/85/589512585.db2.gz OLRZJCXPYVRLME-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO NCc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870933813 589698093 /nfs/dbraw/zinc/69/80/93/589698093.db2.gz XUPPARWCELFDCW-HAQNSBGRSA-N 1 3 247.342 1.601 20 0 BDADHO C[N@H+](C[C@H]1CC2(CCC2)CO1)C1CCNCC1 ZINC000872142285 589882456 /nfs/dbraw/zinc/88/24/56/589882456.db2.gz ROBBQMQUEINPQO-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO C[N@@H+](C[C@H]1CC2(CCC2)CO1)C1CCNCC1 ZINC000872142285 589882457 /nfs/dbraw/zinc/88/24/57/589882457.db2.gz ROBBQMQUEINPQO-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC1 ZINC000872141610 589882629 /nfs/dbraw/zinc/88/26/29/589882629.db2.gz LMBMEPOIHOEVHO-YXCITZCRSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCSC2)C1 ZINC000872253165 589900412 /nfs/dbraw/zinc/90/04/12/589900412.db2.gz ZYBDWBSSKOBGQE-GHMZBOCLSA-N 1 3 228.405 1.860 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000872253165 589900413 /nfs/dbraw/zinc/90/04/13/589900413.db2.gz ZYBDWBSSKOBGQE-GHMZBOCLSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)NCc1cc2c(s1)CCNC2 ZINC000873213434 589997283 /nfs/dbraw/zinc/99/72/83/589997283.db2.gz ZMOODAGUKLPHQY-BDAKNGLRSA-N 1 3 239.388 1.219 20 0 BDADHO Cc1cc(CN[C@H](C)C2CC[NH2+]CC2)nn1C ZINC000873219813 589998498 /nfs/dbraw/zinc/99/84/98/589998498.db2.gz GHACCAYVXJQHEC-LLVKDONJSA-N 1 3 236.363 1.206 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@H](C)C2CC[NH2+]CC2)n1 ZINC000873221095 589999369 /nfs/dbraw/zinc/99/93/69/589999369.db2.gz KVHROZXIWIUNIQ-LLVKDONJSA-N 1 3 249.358 1.573 20 0 BDADHO COCCC1([NH2+]CC2CC2)CCNCC1 ZINC000873224746 590000488 /nfs/dbraw/zinc/00/04/88/590000488.db2.gz JKSKJPDWGHBYEK-UHFFFAOYSA-N 1 3 212.337 1.145 20 0 BDADHO COCCC1([NH2+]C[C@@H]2C[C@@H]2C)CCNCC1 ZINC000873224474 590000856 /nfs/dbraw/zinc/00/08/56/590000856.db2.gz CMABJLYWNGBFHI-RYUDHWBXSA-N 1 3 226.364 1.391 20 0 BDADHO CC[C@H](C)C[NH2+]C1(CCOC)CCNCC1 ZINC000873225650 590000951 /nfs/dbraw/zinc/00/09/51/590000951.db2.gz WHDQPTHUOKOCFR-LBPRGKRZSA-N 1 3 228.380 1.781 20 0 BDADHO COC(=O)CC[C@@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000873229384 590001828 /nfs/dbraw/zinc/00/18/28/590001828.db2.gz VOEQLPXFUOGWJE-NSHDSACASA-N 1 3 242.363 1.389 20 0 BDADHO COC(=O)CC[C@@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000873229384 590001832 /nfs/dbraw/zinc/00/18/32/590001832.db2.gz VOEQLPXFUOGWJE-NSHDSACASA-N 1 3 242.363 1.389 20 0 BDADHO CN(CCCCCC[NH3+])Cc1ccc(N)nc1 ZINC000873231893 590003019 /nfs/dbraw/zinc/00/30/19/590003019.db2.gz XRPPKEWONOCMGE-UHFFFAOYSA-N 1 3 236.363 1.615 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239603 590006096 /nfs/dbraw/zinc/00/60/96/590006096.db2.gz YWGYBIBCELVLTF-OBPIAQAESA-N 1 3 244.354 1.609 20 0 BDADHO Cn1ccnc1[C@H](NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000873249493 590007758 /nfs/dbraw/zinc/00/77/58/590007758.db2.gz ANMXXKVQPQVOJU-ADEWGFFLSA-N 1 3 234.347 1.198 20 0 BDADHO CCn1ccnc1[C@H](C)NC[C@H]1C[C@H]([NH3+])C1 ZINC000873255631 590010824 /nfs/dbraw/zinc/01/08/24/590010824.db2.gz ILWIFQHFZFUXDT-DCAQKATOSA-N 1 3 222.336 1.291 20 0 BDADHO CN(C)C(C)(C)C[NH2+]C1CCN(C)CC1 ZINC000020125688 590076287 /nfs/dbraw/zinc/07/62/87/590076287.db2.gz DIPVDNKBZADXIR-UHFFFAOYSA-N 1 3 213.369 1.010 20 0 BDADHO CC1(C)[C@H](C(=O)Nc2cccc(CN)c2)C[C@@H]1[NH3+] ZINC000876505074 590204395 /nfs/dbraw/zinc/20/43/95/590204395.db2.gz JZZUZHZOAGSPDN-RYUDHWBXSA-N 1 3 247.342 1.457 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000876938143 590259101 /nfs/dbraw/zinc/25/91/01/590259101.db2.gz RMTMIKOJMKYMMI-LBPRGKRZSA-N 1 3 243.395 1.385 20 0 BDADHO C[C@@H]1CC[C@H](NC(=O)c2cccc(CN)c2)C[NH2+]1 ZINC000877052206 590274797 /nfs/dbraw/zinc/27/47/97/590274797.db2.gz QGHHCRZUFLRLRG-MFKMUULPSA-N 1 3 247.342 1.016 20 0 BDADHO CC[C@H](NC)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138389 590291205 /nfs/dbraw/zinc/29/12/05/590291205.db2.gz XJCUSZXAQLYWOX-XQQFMLRXSA-N 1 3 247.342 1.438 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)[C@@H](N)C1CCC1 ZINC000877437807 590328421 /nfs/dbraw/zinc/32/84/21/590328421.db2.gz WSYPZSSRECHSIA-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO CCC[C@@](C)(N)C(=O)N(C)CCCCCC[NH3+] ZINC000877444151 590328799 /nfs/dbraw/zinc/32/87/99/590328799.db2.gz JPYNURQGDSDPGJ-CYBMUJFWSA-N 1 3 243.395 1.481 20 0 BDADHO CC(C)[C@H](O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511718 590584104 /nfs/dbraw/zinc/58/41/04/590584104.db2.gz HFMYXXPEBZRTOZ-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000878511718 590584105 /nfs/dbraw/zinc/58/41/05/590584105.db2.gz HFMYXXPEBZRTOZ-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000878511718 590584106 /nfs/dbraw/zinc/58/41/06/590584106.db2.gz HFMYXXPEBZRTOZ-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21 ZINC000879572877 590800669 /nfs/dbraw/zinc/80/06/69/590800669.db2.gz KDMKFIIDQYQIMT-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21 ZINC000879572877 590800672 /nfs/dbraw/zinc/80/06/72/590800672.db2.gz KDMKFIIDQYQIMT-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815600 /nfs/dbraw/zinc/81/56/00/590815600.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815593 /nfs/dbraw/zinc/81/55/93/590815593.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815596 /nfs/dbraw/zinc/81/55/96/590815596.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577844 590815598 /nfs/dbraw/zinc/81/55/98/590815598.db2.gz MXWCKGPUVHOSOI-ZIAGYGMSSA-N 1 3 248.374 1.299 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCN3C)C2)O1 ZINC000879583348 590822459 /nfs/dbraw/zinc/82/24/59/590822459.db2.gz XYNDMYZIHHTTEO-SYQHCUMBSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCN3C)C2)O1 ZINC000879583348 590822463 /nfs/dbraw/zinc/82/24/63/590822463.db2.gz XYNDMYZIHHTTEO-SYQHCUMBSA-N 1 3 238.375 1.580 20 0 BDADHO COC[C@H](C)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259710 590980552 /nfs/dbraw/zinc/98/05/52/590980552.db2.gz ZNZWPALFQOLHSA-OLZOCXBDSA-N 1 3 249.358 1.627 20 0 BDADHO COCCCN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261579 590981033 /nfs/dbraw/zinc/98/10/33/590981033.db2.gz XDIIAJRKJLAXCC-CYBMUJFWSA-N 1 3 249.358 1.629 20 0 BDADHO COC(=O)C(C)(C)C[N@H+](CCCN)CC(C)C ZINC000883460712 591673846 /nfs/dbraw/zinc/67/38/46/591673846.db2.gz DXFXDHCQWYKMTI-UHFFFAOYSA-N 1 3 244.379 1.492 20 0 BDADHO COC(=O)C(C)(C)C[N@@H+](CCCN)CC(C)C ZINC000883460712 591673847 /nfs/dbraw/zinc/67/38/47/591673847.db2.gz DXFXDHCQWYKMTI-UHFFFAOYSA-N 1 3 244.379 1.492 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000132145988 591691084 /nfs/dbraw/zinc/69/10/84/591691084.db2.gz KFRXGCVVRHRXAS-MJBXVCDLSA-N 1 3 234.343 1.882 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)[C@H](N)CC1CC1 ZINC000884013718 591799135 /nfs/dbraw/zinc/79/91/35/591799135.db2.gz QOEUBSHVTKTYOR-GFCCVEGCSA-N 1 3 247.342 1.472 20 0 BDADHO C([NH2+][C@@H]1CCCSC1)[C@H]1CCCNC1 ZINC000220680216 592320933 /nfs/dbraw/zinc/32/09/33/592320933.db2.gz HJSJUFFZCCTVDK-WDEREUQCSA-N 1 3 214.378 1.471 20 0 BDADHO C(N[C@@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000220680216 592320938 /nfs/dbraw/zinc/32/09/38/592320938.db2.gz HJSJUFFZCCTVDK-WDEREUQCSA-N 1 3 214.378 1.471 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1C[C@]12CCOC2 ZINC000886829752 592351473 /nfs/dbraw/zinc/35/14/73/592351473.db2.gz GPDFOAYGMYOVIF-MCIONIFRSA-N 1 3 240.391 1.718 20 0 BDADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1C[C@]13CCOC3)C2 ZINC000886841269 592360910 /nfs/dbraw/zinc/36/09/10/592360910.db2.gz GTQZJBRKFVJXON-RFGFWPKPSA-N 1 3 236.359 1.226 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000886840172 592361510 /nfs/dbraw/zinc/36/15/10/592361510.db2.gz VGVNGOIMCROIQM-SYQHCUMBSA-N 1 3 238.375 1.804 20 0 BDADHO C[NH2+]CCCN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859802 592372311 /nfs/dbraw/zinc/37/23/11/592372311.db2.gz GDMABZGWSWEZER-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859802 592372313 /nfs/dbraw/zinc/37/23/13/592372313.db2.gz GDMABZGWSWEZER-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CNCCC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859802 592372315 /nfs/dbraw/zinc/37/23/15/592372315.db2.gz GDMABZGWSWEZER-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO COCC[C@H](C)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872230 592376351 /nfs/dbraw/zinc/37/63/51/592376351.db2.gz NDRCXIIROMPVGA-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO Cn1c(Cl)cnc1CNC1CCC([NH3+])CC1 ZINC000301050568 592527708 /nfs/dbraw/zinc/52/77/08/592527708.db2.gz ZYWAHQVRWRXOMN-UHFFFAOYSA-N 1 3 242.754 1.433 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925701791 634377200 /nfs/dbraw/zinc/37/72/00/634377200.db2.gz FTSVTDKEGDEKLF-LPWJVIDDSA-N 1 3 238.375 1.804 20 0 BDADHO FC1CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925713861 634417551 /nfs/dbraw/zinc/41/75/51/634417551.db2.gz VIEWUYCBDAHRNG-MCIGGMRASA-N 1 3 230.327 1.093 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925717378 634453456 /nfs/dbraw/zinc/45/34/56/634453456.db2.gz GARFFODFJRYBBY-ODXJTPSBSA-N 1 3 238.375 1.532 20 0 BDADHO C([C@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000257687936 634463778 /nfs/dbraw/zinc/46/37/78/634463778.db2.gz MSEHDPXMNMKDSJ-OLZOCXBDSA-N 1 3 224.348 1.241 20 0 BDADHO C([C@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000257687936 634463782 /nfs/dbraw/zinc/46/37/82/634463782.db2.gz MSEHDPXMNMKDSJ-OLZOCXBDSA-N 1 3 224.348 1.241 20 0 BDADHO Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]2N)nc1 ZINC000925878217 635604591 /nfs/dbraw/zinc/60/45/91/635604591.db2.gz RRZUJOJEOFKCNG-RYUDHWBXSA-N 1 3 234.347 1.271 20 0 BDADHO Cc1nccn1CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933733578 631495360 /nfs/dbraw/zinc/49/53/60/631495360.db2.gz MOEHMVUBQHEJGC-KGLIPLIRSA-N 1 3 248.374 1.075 20 0 BDADHO Cc1nccn1CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933733578 631495366 /nfs/dbraw/zinc/49/53/66/631495366.db2.gz MOEHMVUBQHEJGC-KGLIPLIRSA-N 1 3 248.374 1.075 20 0 BDADHO Cc1nccn1CC[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933733578 631495373 /nfs/dbraw/zinc/49/53/73/631495373.db2.gz MOEHMVUBQHEJGC-KGLIPLIRSA-N 1 3 248.374 1.075 20 0 BDADHO Cc1nccn1CC[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933733578 631495377 /nfs/dbraw/zinc/49/53/77/631495377.db2.gz MOEHMVUBQHEJGC-KGLIPLIRSA-N 1 3 248.374 1.075 20 0 BDADHO CSC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000235119088 632008083 /nfs/dbraw/zinc/00/80/83/632008083.db2.gz UINDATKQXOYQQP-ZJUUUORDSA-N 1 3 214.378 1.599 20 0 BDADHO CC(C)NC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000052040833 632051567 /nfs/dbraw/zinc/05/15/67/632051567.db2.gz WBXGPJINJMSHNO-UHFFFAOYSA-N 1 3 228.384 1.628 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1=CCOCC1 ZINC000926505634 632403415 /nfs/dbraw/zinc/40/34/15/632403415.db2.gz JUXFNRYXTOUZMW-PBWFPOADSA-N 1 3 236.359 1.263 20 0 BDADHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NC ZINC000066245824 632861929 /nfs/dbraw/zinc/86/19/29/632861929.db2.gz FMOHQHWRRCOLCE-LLVKDONJSA-N 1 3 226.368 1.175 20 0 BDADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCCC1 ZINC000328544489 633772845 /nfs/dbraw/zinc/77/28/45/633772845.db2.gz LNEXTYAFHQLHPT-YHQUGGNUSA-N 1 3 220.360 1.763 20 0 BDADHO C[C@H](N)[C@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000925509914 633849143 /nfs/dbraw/zinc/84/91/43/633849143.db2.gz PVHJBVOHQNXWIQ-JSGCOSHPSA-N 1 3 244.342 1.561 20 0 BDADHO CC[C@@]1(C)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983432 634028112 /nfs/dbraw/zinc/02/81/12/634028112.db2.gz YINUTVVAGUNNHG-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@]1(C)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983433 634028866 /nfs/dbraw/zinc/02/88/66/634028866.db2.gz YINUTVVAGUNNHG-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]([NH3+])[C@@H](NC[C@H]1CCCN1C)c1ccccc1 ZINC000925563058 634044566 /nfs/dbraw/zinc/04/45/66/634044566.db2.gz AACJZCUQYCLISH-NWANDNLSSA-N 1 3 247.386 1.759 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCn2ccnc21 ZINC000925607389 634138686 /nfs/dbraw/zinc/13/86/86/634138686.db2.gz PBTHJPGBRSWPHI-XQQFMLRXSA-N 1 3 248.374 1.491 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1CCCn2ccnc21 ZINC000925607389 634138692 /nfs/dbraw/zinc/13/86/92/634138692.db2.gz PBTHJPGBRSWPHI-XQQFMLRXSA-N 1 3 248.374 1.491 20 0 BDADHO C[C@H](O)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925610643 634149165 /nfs/dbraw/zinc/14/91/65/634149165.db2.gz IPBKKDKOVLQIOX-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](O)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925610643 634149169 /nfs/dbraw/zinc/14/91/69/634149169.db2.gz IPBKKDKOVLQIOX-CYZMBNFOSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](CO)N[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925617510 634167370 /nfs/dbraw/zinc/16/73/70/634167370.db2.gz WKSFKORJLZYFLY-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H](CO)[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925617510 634167373 /nfs/dbraw/zinc/16/73/73/634167373.db2.gz WKSFKORJLZYFLY-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]1OCC[C@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925676283 634262754 /nfs/dbraw/zinc/26/27/54/634262754.db2.gz ZMQBPGZKHSTARZ-ZNSHCXBVSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925676283 634262760 /nfs/dbraw/zinc/26/27/60/634262760.db2.gz ZMQBPGZKHSTARZ-ZNSHCXBVSA-N 1 3 210.321 1.023 20 0 BDADHO COCC[C@@H](C)C[NH2+][C@H]1CCNC12CCC2 ZINC000925684388 634293744 /nfs/dbraw/zinc/29/37/44/634293744.db2.gz AMZSQCBFUDMJQY-NEPJUHHUSA-N 1 3 226.364 1.533 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000925695720 634348493 /nfs/dbraw/zinc/34/84/93/634348493.db2.gz WFJFKOVHDYMBSL-FRRDWIJNSA-N 1 3 226.364 1.391 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925697281 634358596 /nfs/dbraw/zinc/35/85/96/634358596.db2.gz XJJLXBKNAAYFQD-RNJOBUHISA-N 1 3 238.375 1.802 20 0 BDADHO c1ccc(CN2CC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000094079591 635179612 /nfs/dbraw/zinc/17/96/12/635179612.db2.gz IDHKQPPDNXBEFW-HUUCEWRRSA-N 1 3 245.370 1.212 20 0 BDADHO Cn1cnc2cc(C[NH2+][C@@H]3CCC[C@@H]3N)ccc21 ZINC000259102179 635242926 /nfs/dbraw/zinc/24/29/26/635242926.db2.gz SFTXVDHBYHCVBX-NWDGAFQWSA-N 1 3 244.342 1.543 20 0 BDADHO C[NH+](C)C1CCN(c2ccncc2CO)CC1 ZINC000126419358 635818328 /nfs/dbraw/zinc/81/83/28/635818328.db2.gz AHUANXZSLOOBHL-UHFFFAOYSA-N 1 3 235.331 1.104 20 0 BDADHO CC[NH+](CC)C[C@@H](C)Nc1cc(C)nc(N)n1 ZINC000109746063 636654002 /nfs/dbraw/zinc/65/40/02/636654002.db2.gz KIJVIEDHIRPAFO-SNVBAGLBSA-N 1 3 237.351 1.509 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CCCO1 ZINC000924629907 636945359 /nfs/dbraw/zinc/94/53/59/636945359.db2.gz SYIPFYLEMFFNLN-RBKKPWLPSA-N 1 3 238.375 1.485 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H]1CCCO1 ZINC000924629908 636946100 /nfs/dbraw/zinc/94/61/00/636946100.db2.gz SYIPFYLEMFFNLN-WJLOJVBCSA-N 1 3 238.375 1.485 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924706588 637015650 /nfs/dbraw/zinc/01/56/50/637015650.db2.gz QEDGGYVBSQOTEG-NEPJUHHUSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+]C2CC(N)C2)CCO1 ZINC000906510126 638183442 /nfs/dbraw/zinc/18/34/42/638183442.db2.gz NDEVMAFQERYNKY-HBIQZDMRSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC000906517339 638187197 /nfs/dbraw/zinc/18/71/97/638187197.db2.gz NDEVMAFQERYNKY-FIQHERPVSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H]1C[C@H](C[NH2+][C@H]2C[C@H](N)C2)CCO1 ZINC000906517340 638187237 /nfs/dbraw/zinc/18/72/37/638187237.db2.gz NDEVMAFQERYNKY-KKOKHZNYSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H](C[NH2+][C@H]1C[C@H](N)C1)Cc1ccccc1 ZINC000906517729 638187826 /nfs/dbraw/zinc/18/78/26/638187826.db2.gz OBXUYIBPPCCRHG-MRVWCRGKSA-N 1 3 218.344 1.945 20 0 BDADHO C[C@@H](CN[C@H]1C[C@H]([NH3+])C1)Cc1ccccc1 ZINC000906517729 638187831 /nfs/dbraw/zinc/18/78/31/638187831.db2.gz OBXUYIBPPCCRHG-MRVWCRGKSA-N 1 3 218.344 1.945 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000911858469 639862132 /nfs/dbraw/zinc/86/21/32/639862132.db2.gz RODQQBQFAAZCHC-QWRGUYRKSA-N 1 3 243.395 1.384 20 0 BDADHO C[C@@H](C1CC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931066264 640052632 /nfs/dbraw/zinc/05/26/32/640052632.db2.gz HRZIVFZWHHXMNQ-FZMZJTMJSA-N 1 3 238.375 1.316 20 0 BDADHO C[C@@H](C1CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931066264 640052641 /nfs/dbraw/zinc/05/26/41/640052641.db2.gz HRZIVFZWHHXMNQ-FZMZJTMJSA-N 1 3 238.375 1.316 20 0 BDADHO C[C@H](C1CC1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000931076047 640058395 /nfs/dbraw/zinc/05/83/95/640058395.db2.gz MWLNFGIUDMBZGI-TZMCWYRMSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@@H](CO)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000931763349 640355873 /nfs/dbraw/zinc/35/58/73/640355873.db2.gz GLSXFWDHJLNGMF-OLZOCXBDSA-N 1 3 249.358 1.363 20 0 BDADHO CC(C)[C@H](O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734338 640759203 /nfs/dbraw/zinc/75/92/03/640759203.db2.gz OGFFPACOXPYTHE-BFHYXJOUSA-N 1 3 240.391 1.277 20 0 BDADHO CC(C)[C@H](O)CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734338 640759205 /nfs/dbraw/zinc/75/92/05/640759205.db2.gz OGFFPACOXPYTHE-BFHYXJOUSA-N 1 3 240.391 1.277 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCC[C@@H](C[NH3+])C2)O1 ZINC000227065658 640813520 /nfs/dbraw/zinc/81/35/20/640813520.db2.gz UUZLDKVZQWIUJM-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO CN(CCCCCC[NH3+])Cc1cnn(C)c1 ZINC000042489397 641553949 /nfs/dbraw/zinc/55/39/49/641553949.db2.gz CJJYCAAVRGLVJD-UHFFFAOYSA-N 1 3 224.352 1.371 20 0 BDADHO [NH3+]CCCCCC(=O)NCCN1CCCCC1 ZINC000049575463 643089107 /nfs/dbraw/zinc/08/91/07/643089107.db2.gz VPGDCSHZOGVQID-UHFFFAOYSA-N 1 3 241.379 1.108 20 0 BDADHO CC[C@@H]1COCCN1CCCCCC[NH3+] ZINC000036326933 643145697 /nfs/dbraw/zinc/14/56/97/643145697.db2.gz PGCKYAUQVISMQK-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](NCC[NH3+])C1(C)C ZINC000082923079 643388997 /nfs/dbraw/zinc/38/89/97/643388997.db2.gz MVOWZINHGMSRFG-WDEREUQCSA-N 1 3 214.353 1.374 20 0 BDADHO CC[NH+](CC)CCCNc1cc(C)nc(N)n1 ZINC000085121435 643684556 /nfs/dbraw/zinc/68/45/56/643684556.db2.gz VKDRNRBUNVAKOK-UHFFFAOYSA-N 1 3 237.351 1.511 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000922820751 644110110 /nfs/dbraw/zinc/11/01/10/644110110.db2.gz JIDJALRDXCYLIM-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000922820751 644110112 /nfs/dbraw/zinc/11/01/12/644110112.db2.gz JIDJALRDXCYLIM-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)CC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000923279387 644310612 /nfs/dbraw/zinc/31/06/12/644310612.db2.gz NDDUJZBGXANQKP-HZSPNIEDSA-N 1 3 242.407 1.985 20 0 BDADHO CC(C)CC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000923279387 644310619 /nfs/dbraw/zinc/31/06/19/644310619.db2.gz NDDUJZBGXANQKP-HZSPNIEDSA-N 1 3 242.407 1.985 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000923281606 644315985 /nfs/dbraw/zinc/31/59/85/644315985.db2.gz QGCMHXWGKKCCHC-CABCVRRESA-N 1 3 248.370 1.261 20 0 BDADHO NC1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CCC1 ZINC000923330864 644349464 /nfs/dbraw/zinc/34/94/64/644349464.db2.gz CPQAZSGYQDFAQL-GFCCVEGCSA-N 1 3 238.306 1.330 20 0 BDADHO CN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cn[nH]c1 ZINC000923326338 644352429 /nfs/dbraw/zinc/35/24/29/644352429.db2.gz XWRPBIZAMLKKOV-QXMXGUDHSA-N 1 3 248.374 1.762 20 0 BDADHO CC[C@H](NC(CN)C[NH3+])c1ccc(Cl)cc1 ZINC000923351339 644367029 /nfs/dbraw/zinc/36/70/29/644367029.db2.gz IWPKDJFOFJMYGQ-LBPRGKRZSA-N 1 3 241.766 1.667 20 0 BDADHO CCCCCC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923356894 644376294 /nfs/dbraw/zinc/37/62/94/644376294.db2.gz VOMRJNMLPGYGBM-KBPBESRZSA-N 1 3 242.407 1.988 20 0 BDADHO CCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000923366201 644377038 /nfs/dbraw/zinc/37/70/38/644377038.db2.gz KXQXNEFRXHFIFV-FRRDWIJNSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000923366201 644377045 /nfs/dbraw/zinc/37/70/45/644377045.db2.gz KXQXNEFRXHFIFV-FRRDWIJNSA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)OCC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923366931 644379356 /nfs/dbraw/zinc/37/93/56/644379356.db2.gz BFRRMDBCVXHIHY-NEPJUHHUSA-N 1 3 246.395 1.125 20 0 BDADHO CCOCCOCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000923369273 644381972 /nfs/dbraw/zinc/38/19/72/644381972.db2.gz JJMNNNSRKUYWAR-GFCCVEGCSA-N 1 3 244.379 1.017 20 0 BDADHO CC(C)CC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923369681 644382256 /nfs/dbraw/zinc/38/22/56/644382256.db2.gz LGILNBPWNMXHFB-NWDGAFQWSA-N 1 3 230.396 1.747 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000923391915 644399325 /nfs/dbraw/zinc/39/93/25/644399325.db2.gz GRXAIOZNGAEZIO-AVGNSLFASA-N 1 3 228.380 1.595 20 0 BDADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000923492695 644467729 /nfs/dbraw/zinc/46/77/29/644467729.db2.gz CAHMSHVSMKXWBA-MFKMUULPSA-N 1 3 248.374 1.510 20 0 BDADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@H](C)C2)ncn1 ZINC000923493494 644471099 /nfs/dbraw/zinc/47/10/99/644471099.db2.gz HFJMTEISVLECLT-PWSUYJOCSA-N 1 3 234.347 1.202 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000923531100 644487959 /nfs/dbraw/zinc/48/79/59/644487959.db2.gz PBENCFQMKDWYFP-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000923531100 644487961 /nfs/dbraw/zinc/48/79/61/644487961.db2.gz PBENCFQMKDWYFP-MJBXVCDLSA-N 1 3 238.375 1.629 20 0 BDADHO CC(C)C[C@H]1CN(C)CCN1C[C@@H]1CC[NH2+]C1 ZINC000923557676 644499803 /nfs/dbraw/zinc/49/98/03/644499803.db2.gz NESZQLVPTCYHNN-KGLIPLIRSA-N 1 3 239.407 1.258 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000089144652 644535653 /nfs/dbraw/zinc/53/56/53/644535653.db2.gz KJNIISBKSSUVTB-ZIAGYGMSSA-N 1 3 233.359 1.731 20 0 BDADHO COc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089149834 644536362 /nfs/dbraw/zinc/53/63/62/644536362.db2.gz QUBQNRYGLJNKQD-GXTWGEPZSA-N 1 3 234.343 1.912 20 0 BDADHO c1cnn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000250170025 644749070 /nfs/dbraw/zinc/74/90/70/644749070.db2.gz LMZKQSRGHPFMTO-BFHYXJOUSA-N 1 3 248.374 1.393 20 0 BDADHO CC(C)CCN1CCC([NH2+]C/C=C/CO)CC1 ZINC000926688716 645357529 /nfs/dbraw/zinc/35/75/29/645357529.db2.gz KOQCWSQPZRYYHC-ONEGZZNKSA-N 1 3 240.391 1.635 20 0 BDADHO CC(C)[C@@H]1CCC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925488980 645525677 /nfs/dbraw/zinc/52/56/77/645525677.db2.gz HSHJHIOXIWTEGT-RDBSUJKOSA-N 1 3 240.391 1.779 20 0 BDADHO COCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925500791 645943260 /nfs/dbraw/zinc/94/32/60/645943260.db2.gz FJBJJGWWXKGGRD-CHWSQXEVSA-N 1 3 226.364 1.391 20 0 BDADHO COc1cc([C@H](C)NCCCC[NH+](C)C)on1 ZINC000924855443 646119586 /nfs/dbraw/zinc/11/95/86/646119586.db2.gz PXJIBCFOIQNUSO-JTQLQIEISA-N 1 3 241.335 1.676 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2COC[C@H]2C)C1 ZINC000924959676 646144395 /nfs/dbraw/zinc/14/43/95/646144395.db2.gz LEFPRQIJNGFDGM-HZSPNIEDSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@H](CO)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929689125 646246648 /nfs/dbraw/zinc/24/66/48/646246648.db2.gz BWJPJHIFSDRIBD-KGLIPLIRSA-N 1 3 240.391 1.708 20 0 BDADHO COC[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925480396 646291962 /nfs/dbraw/zinc/29/19/62/646291962.db2.gz JZLGNGVJLRKDCG-QNWHQSFQSA-N 1 3 240.391 1.635 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCOCC1 ZINC000925483693 646295527 /nfs/dbraw/zinc/29/55/27/646295527.db2.gz XFKRWFKKADQEQV-AGIUHOORSA-N 1 3 238.375 1.532 20 0 BDADHO CC[C@@H](CO)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000929790536 646321122 /nfs/dbraw/zinc/32/11/22/646321122.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](CO)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000929790536 646321126 /nfs/dbraw/zinc/32/11/26/646321126.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](CO)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000929790536 646321131 /nfs/dbraw/zinc/32/11/31/646321131.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@@H](CO)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000929790536 646321136 /nfs/dbraw/zinc/32/11/36/646321136.db2.gz KIUZDOPGOCBZRU-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCNc1ccccn1 ZINC000925538569 646322832 /nfs/dbraw/zinc/32/28/32/646322832.db2.gz VBSHFOLRUGPWMU-STQMWFEESA-N 1 3 248.374 1.614 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2(C)C)CN1C1CC1 ZINC000925542188 646325102 /nfs/dbraw/zinc/32/51/02/646325102.db2.gz NZMZVCXGVNYZIW-MDZLAQPJSA-N 1 3 237.391 1.342 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925573823 646342701 /nfs/dbraw/zinc/34/27/01/646342701.db2.gz PXPXKNBLAQPMIG-OLZOCXBDSA-N 1 3 239.407 1.591 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCF ZINC000925619309 646366834 /nfs/dbraw/zinc/36/68/34/646366834.db2.gz MKPCKRIZOGOSEO-VWYCJHECSA-N 1 3 214.328 1.712 20 0 BDADHO CC1(C)[C@@H](NCCCF)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925619309 646366840 /nfs/dbraw/zinc/36/68/40/646366840.db2.gz MKPCKRIZOGOSEO-VWYCJHECSA-N 1 3 214.328 1.712 20 0 BDADHO Cc1cnccc1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925627461 646374765 /nfs/dbraw/zinc/37/47/65/646374765.db2.gz YZKIMQLKIMCTPV-UONOGXRCSA-N 1 3 245.370 1.792 20 0 BDADHO CC[C@@H](CO)[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925643666 646384677 /nfs/dbraw/zinc/38/46/77/646384677.db2.gz GYVZRAMNGYGLDT-BFHYXJOUSA-N 1 3 240.391 1.515 20 0 BDADHO OC1CC(CC[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925651670 646392133 /nfs/dbraw/zinc/39/21/33/646392133.db2.gz IYGXCMRLZRRHCU-HTAVTVPLSA-N 1 3 224.348 1.022 20 0 BDADHO CC[C@H](N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(=O)NC ZINC000925686860 646413468 /nfs/dbraw/zinc/41/34/68/646413468.db2.gz YRMQCLRMMOUQRV-MXWKQRLJSA-N 1 3 241.379 1.007 20 0 BDADHO CNC(=O)C[C@H](C)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925690413 646416336 /nfs/dbraw/zinc/41/63/36/646416336.db2.gz VEQIMPZIWSHKGB-HBNTYKKESA-N 1 3 241.379 1.007 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C12CCC2 ZINC000925726071 646451657 /nfs/dbraw/zinc/45/16/57/646451657.db2.gz PWYVSWQVEBVWLC-DJQKSGLPSA-N 1 3 248.370 1.269 20 0 BDADHO CC[C@H](NC[C@H]1C[C@H](OC)C1)[C@@H]1CCC[NH2+]1 ZINC000925735343 646459004 /nfs/dbraw/zinc/45/90/04/646459004.db2.gz DTLQLNYDLLROSL-CYDGBPFRSA-N 1 3 226.364 1.532 20 0 BDADHO Nc1ccnc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925768082 646468418 /nfs/dbraw/zinc/46/84/18/646468418.db2.gz SFUGGVMWHYEDCY-NEPJUHHUSA-N 1 3 232.331 1.023 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000925859786 646512687 /nfs/dbraw/zinc/51/26/87/646512687.db2.gz SBUXKTXAFIJBND-AVGNSLFASA-N 1 3 228.380 1.645 20 0 BDADHO CCOCCOCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000925875324 646525618 /nfs/dbraw/zinc/52/56/18/646525618.db2.gz QUSYGKUAOXXFJO-CHWSQXEVSA-N 1 3 244.379 1.017 20 0 BDADHO C1CC1(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000925893124 646535118 /nfs/dbraw/zinc/53/51/18/646535118.db2.gz LKRVIQIKQHOBGS-QWHCGFSZSA-N 1 3 238.375 1.820 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000926259821 646607312 /nfs/dbraw/zinc/60/73/12/646607312.db2.gz QHHHUQAJSWHFGA-RQICVUQASA-N 1 3 238.375 1.077 20 0 BDADHO C[C@H]1COC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000926276402 646610341 /nfs/dbraw/zinc/61/03/41/646610341.db2.gz XANNVZFXIAKNSW-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H]1COC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000926276402 646610343 /nfs/dbraw/zinc/61/03/43/646610343.db2.gz XANNVZFXIAKNSW-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO COCC1(CN[C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000396585935 711702014 /nfs/dbraw/zinc/70/20/14/711702014.db2.gz HPCOPAKRDDQHLJ-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@H](C)[C@@H](CN)C2)C1 ZINC000721928834 711937952 /nfs/dbraw/zinc/93/79/52/711937952.db2.gz VQDLSSMZUJPJGR-ZDEQEGDKSA-N 1 3 226.364 1.328 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CC[C@H](C)[C@@H](CN)C2)C1 ZINC000721928834 711937954 /nfs/dbraw/zinc/93/79/54/711937954.db2.gz VQDLSSMZUJPJGR-ZDEQEGDKSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1CCN(CCOC2CC2)C[C@@H]1C[NH3+] ZINC000711754301 712324796 /nfs/dbraw/zinc/32/47/96/712324796.db2.gz UDRAYRKKLQBKEE-MNOVXSKESA-N 1 3 212.337 1.082 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712437691 712429791 /nfs/dbraw/zinc/42/97/91/712429791.db2.gz KMTXIOMAPWBPQT-CHWSQXEVSA-N 1 3 238.375 1.759 20 0 BDADHO CC1(C)CCNCC[N@@H+]1C[C@H]1CCCCO1 ZINC000712555155 712445268 /nfs/dbraw/zinc/44/52/68/712445268.db2.gz RGBHEUXSMVFHAG-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO CC1(C)CCNCC[N@H+]1C[C@H]1CCCCO1 ZINC000712555155 712445270 /nfs/dbraw/zinc/44/52/70/712445270.db2.gz RGBHEUXSMVFHAG-GFCCVEGCSA-N 1 3 226.364 1.629 20 0 BDADHO COC[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000717340352 712649572 /nfs/dbraw/zinc/64/95/72/712649572.db2.gz SBOAPIZYPIXKAA-QWRGUYRKSA-N 1 3 248.317 1.246 20 0 BDADHO CC1(C)CO[C@H](C[NH2+][C@H]2C[C@@H](N)C23CCC3)C1 ZINC000717612279 712662432 /nfs/dbraw/zinc/66/24/32/712662432.db2.gz DSGYBBQMGLIHCJ-TUAOUCFPSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)N(CCNC1=[NH+]CCCN1C)C(C)C ZINC000386239844 711027051 /nfs/dbraw/zinc/02/70/51/711027051.db2.gz HSCZMLBPVPDBID-UHFFFAOYSA-N 1 3 240.395 1.386 20 0 BDADHO C[N@@H+]1CC[C@@]2(CCN(c3ccncc3CO)C2)C1 ZINC000386613260 711033785 /nfs/dbraw/zinc/03/37/85/711033785.db2.gz MUZKWXGMQMSWNQ-CQSZACIVSA-N 1 3 247.342 1.106 20 0 BDADHO C[N@H+]1CC[C@@]2(CCN(c3ccncc3CO)C2)C1 ZINC000386613260 711033790 /nfs/dbraw/zinc/03/37/90/711033790.db2.gz MUZKWXGMQMSWNQ-CQSZACIVSA-N 1 3 247.342 1.106 20 0 BDADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000396617158 711361040 /nfs/dbraw/zinc/36/10/40/711361040.db2.gz GOEMCWGMKJEPPW-YUTCNCBUSA-N 1 3 234.343 1.450 20 0 BDADHO CCC[C@H](CCO)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396674317 711364852 /nfs/dbraw/zinc/36/48/52/711364852.db2.gz RYSNWMUKOKHQCU-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H]1CC[C@H](NC[C@@H]2CCCOC2)C[NH2+]1 ZINC000398989357 711417300 /nfs/dbraw/zinc/41/73/00/711417300.db2.gz JLSJACCNWDOZPL-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@H](N)C[C@H]1C)C(C)C ZINC000721915816 710690730 /nfs/dbraw/zinc/69/07/30/710690730.db2.gz VUGPUCOZTGRKBL-AGIUHOORSA-N 1 3 228.380 1.717 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@H](N)C[C@H]1C)C(C)C ZINC000721915816 710690732 /nfs/dbraw/zinc/69/07/32/710690732.db2.gz VUGPUCOZTGRKBL-AGIUHOORSA-N 1 3 228.380 1.717 20 0 BDADHO COC[C@H](CN1C[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000721917003 710692448 /nfs/dbraw/zinc/69/24/48/710692448.db2.gz HDPRWQHSSZTKHC-WOPDTQHZSA-N 1 3 214.353 1.327 20 0 BDADHO CCOCC(C)(C)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396668656 711365022 /nfs/dbraw/zinc/36/50/22/711365022.db2.gz PTYNHDWCXHOAJJ-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H](O)c2ccccc2)C1 ZINC000050249297 711493842 /nfs/dbraw/zinc/49/38/42/711493842.db2.gz ASTSOWGIOCLJMS-DGCLKSJQSA-N 1 3 220.316 1.001 20 0 BDADHO CCC(CC)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000382202518 711553362 /nfs/dbraw/zinc/55/33/62/711553362.db2.gz JOZPEPFKWIJJNK-MNSQCTGESA-N 1 3 208.349 1.761 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNc2ccncc2CO)C1 ZINC000891967020 711563031 /nfs/dbraw/zinc/56/30/31/711563031.db2.gz CNQDIYXDBBOIHK-GFCCVEGCSA-N 1 3 249.358 1.140 20 0 BDADHO CCC[N@H+]1CC[C@H](CNc2ccncc2CO)C1 ZINC000891967020 711563035 /nfs/dbraw/zinc/56/30/35/711563035.db2.gz CNQDIYXDBBOIHK-GFCCVEGCSA-N 1 3 249.358 1.140 20 0 BDADHO [NH3+]C[C@H]1CN(CCCC2CC2)CCCO1 ZINC000313348411 711718656 /nfs/dbraw/zinc/71/86/56/711718656.db2.gz UEZPRZDCBFBULJ-LBPRGKRZSA-N 1 3 212.337 1.226 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCC1SCCS1 ZINC000703396005 712075057 /nfs/dbraw/zinc/07/50/57/712075057.db2.gz IUHSLBVWXPFRPA-ZJUUUORDSA-N 1 3 246.445 1.900 20 0 BDADHO CC[C@H](O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705108581 712122614 /nfs/dbraw/zinc/12/26/14/712122614.db2.gz VGESERPXXUIVPQ-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO CC[C@H](O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000705108581 712122616 /nfs/dbraw/zinc/12/26/16/712122616.db2.gz VGESERPXXUIVPQ-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C1CC12CCC[C@@H]2N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000706791617 712155859 /nfs/dbraw/zinc/15/58/59/712155859.db2.gz NHADWWSWJMTBKE-SNIKSBKOSA-N 1 3 232.371 1.905 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CC(C)(C)CO2)C[C@@H]1C[NH3+] ZINC000708348306 712190371 /nfs/dbraw/zinc/19/03/71/712190371.db2.gz MLFOAIQXHICKMT-FRRDWIJNSA-N 1 3 240.391 1.718 20 0 BDADHO C1CC1[C@@H]1OCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709469232 712222406 /nfs/dbraw/zinc/22/24/06/712222406.db2.gz UDHYAHZPSFZSDA-YJBUHQLJSA-N 1 3 236.359 1.427 20 0 BDADHO C[C@H]1C[C@H](NCCc2ccns2)CC[N@@H+]1C ZINC000709826016 712228604 /nfs/dbraw/zinc/22/86/04/712228604.db2.gz OSWSUXXEHZAVER-WDEREUQCSA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H]1C[C@H](NCCc2ccns2)CC[N@H+]1C ZINC000709826016 712228605 /nfs/dbraw/zinc/22/86/05/712228605.db2.gz OSWSUXXEHZAVER-WDEREUQCSA-N 1 3 239.388 1.758 20 0 BDADHO NC1(C[NH2+]CCc2ccns2)CCC1 ZINC000709835117 712229383 /nfs/dbraw/zinc/22/93/83/712229383.db2.gz FBUNBYYBMJUSGK-UHFFFAOYSA-N 1 3 211.334 1.157 20 0 BDADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCOc1ccccc1)C2 ZINC000709851720 712229830 /nfs/dbraw/zinc/22/98/30/712229830.db2.gz DTOFRJOZYHWFSU-MJBXVCDLSA-N 1 3 246.354 1.877 20 0 BDADHO NCC(C[NH3+])NCc1cccc(Cl)c1Cl ZINC000710080224 712244157 /nfs/dbraw/zinc/24/41/57/712244157.db2.gz PIZXVIVBBZSUQT-UHFFFAOYSA-N 1 3 248.157 1.369 20 0 BDADHO C[C@]1(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)CCCNC1 ZINC000711589762 712311330 /nfs/dbraw/zinc/31/13/30/712311330.db2.gz IBCPTIINDFWTMK-XQQFMLRXSA-N 1 3 240.416 1.671 20 0 BDADHO C[C@]1(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)CCCNC1 ZINC000711589762 712311331 /nfs/dbraw/zinc/31/13/31/712311331.db2.gz IBCPTIINDFWTMK-XQQFMLRXSA-N 1 3 240.416 1.671 20 0 BDADHO CCC[C@H](O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705657717 712372278 /nfs/dbraw/zinc/37/22/78/712372278.db2.gz FWHBEPLSUUHNHO-IHRRRGAJSA-N 1 3 240.391 1.421 20 0 BDADHO CC1(C)CC[C@H](CN2CCC[C@@H](C[NH3+])C2)OC1 ZINC000713586212 712466180 /nfs/dbraw/zinc/46/61/80/712466180.db2.gz MEPMXBGKDQRULX-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO C=C/C=C\CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000713730623 712470451 /nfs/dbraw/zinc/47/04/51/712470451.db2.gz DBGIYVSFHUWHAJ-SCOBNMCVSA-N 1 3 206.333 1.804 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000714700798 712495903 /nfs/dbraw/zinc/49/59/03/712495903.db2.gz PXRYQQCFCFMZGX-FDYHWXHSSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715236457 712513850 /nfs/dbraw/zinc/51/38/50/712513850.db2.gz RJXSXJAOSDFAJC-HZSPNIEDSA-N 1 3 242.407 2.000 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](NCc2cc[nH]c(=O)c2)C1 ZINC000715217465 712514108 /nfs/dbraw/zinc/51/41/08/712514108.db2.gz HXTIMBWDOPAQKC-CHWSQXEVSA-N 1 3 249.358 1.750 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCS1 ZINC000715750842 712531238 /nfs/dbraw/zinc/53/12/38/712531238.db2.gz BWQYMJDCZJWGKX-SRVKXCTJSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)C1CNC1 ZINC000716020857 712546825 /nfs/dbraw/zinc/54/68/25/712546825.db2.gz FTLWKBGOGVXESL-FZMOHWGLSA-N 1 3 240.416 1.858 20 0 BDADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000716549097 712567712 /nfs/dbraw/zinc/56/77/12/712567712.db2.gz ZFMGNBZYNKXRPO-YOVYLDAJSA-N 1 3 222.376 1.996 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)C12CCC2 ZINC000717596172 712661052 /nfs/dbraw/zinc/66/10/52/712661052.db2.gz VKUOFOPPOYEKHR-QJPTWQEYSA-N 1 3 224.348 1.007 20 0 BDADHO CC1(C)CO[C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000717612279 712662430 /nfs/dbraw/zinc/66/24/30/712662430.db2.gz DSGYBBQMGLIHCJ-TUAOUCFPSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](NCCC[NH3+])c1ccc2c(c1)CCO2 ZINC000037713825 712749627 /nfs/dbraw/zinc/74/96/27/712749627.db2.gz WCXHREJUNANDKN-JTQLQIEISA-N 1 3 220.316 1.621 20 0 BDADHO O[C@@H](CNCCc1ccccc1)C[NH+]1CCCC1 ZINC000037859673 712776147 /nfs/dbraw/zinc/77/61/47/712776147.db2.gz FRHWZMQAVXJYFC-HNNXBMFYSA-N 1 3 248.370 1.275 20 0 BDADHO CN(C[C@@H]1C[C@H]2CCC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000720876197 712872444 /nfs/dbraw/zinc/87/24/44/712872444.db2.gz ZJNNZLKODSESOO-AGIUHOORSA-N 1 3 240.391 1.861 20 0 BDADHO CN(C)Cc1ccnc(N2CC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC001164412781 718876587 /nfs/dbraw/zinc/87/65/87/718876587.db2.gz YZNPSUFLQRZMDU-OLZOCXBDSA-N 1 3 246.358 1.084 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2OC)C1 ZINC000692998894 957411277 /nfs/dbraw/zinc/41/12/77/957411277.db2.gz QCMFCTOMDORRBP-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](O)CN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692581783 960309516 /nfs/dbraw/zinc/30/95/16/960309516.db2.gz WFIIEEJOEHFGLW-USZNOCQGSA-N 1 3 214.353 1.205 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755944 961305398 /nfs/dbraw/zinc/30/53/98/961305398.db2.gz IYUHNZQBTLIGOO-CYBMUJFWSA-N 1 3 219.332 1.542 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](Cc3cc[nH]c3)C2)C1 ZINC000292755944 961305416 /nfs/dbraw/zinc/30/54/16/961305416.db2.gz IYUHNZQBTLIGOO-CYBMUJFWSA-N 1 3 219.332 1.542 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H](O)CC1CCCC1 ZINC000300029133 963033636 /nfs/dbraw/zinc/03/36/36/963033636.db2.gz LAHRMNJAYXJZCG-KWCYVHTRSA-N 1 3 240.391 1.739 20 0 BDADHO CSC1(C[NH2+]CC[C@@H](C)N(C)C)CC1 ZINC000697868699 964596237 /nfs/dbraw/zinc/59/62/37/964596237.db2.gz CLHZIWXDSRQHMB-SNVBAGLBSA-N 1 3 216.394 1.812 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+]C[C@H]3CCSC3)[C@H]2C1 ZINC001204089817 966891113 /nfs/dbraw/zinc/89/11/13/966891113.db2.gz RKENJFLURRXQGD-VOAKCMCISA-N 1 3 240.416 1.669 20 0 BDADHO C[C@H]1CC[C@@H](C[NH3+])N1CC1COC(C)(C)OC1 ZINC001205063816 967315056 /nfs/dbraw/zinc/31/50/56/967315056.db2.gz CIQWDARLXCSAMY-JQWIXIFHSA-N 1 3 242.363 1.197 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168704807 967548030 /nfs/dbraw/zinc/54/80/30/967548030.db2.gz PFHIPXGATBNXCN-MWLCHTKSSA-N 1 3 238.762 1.992 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168704811 967550909 /nfs/dbraw/zinc/55/09/09/967550909.db2.gz PFHIPXGATBNXCN-ONGXEEELSA-N 1 3 238.762 1.992 20 0 BDADHO CN(C)CC(C)(C)C[NH+]1CC2(C1)CCOCC2 ZINC001207281829 968710997 /nfs/dbraw/zinc/71/09/97/968710997.db2.gz HPZCJJRGCDJYSQ-UHFFFAOYSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207285764 968717103 /nfs/dbraw/zinc/71/71/03/968717103.db2.gz NYKKWAMVALGLIC-UHFFFAOYSA-N 1 3 241.423 1.602 20 0 BDADHO C[C@@H]1CN(CC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001208105751 969001909 /nfs/dbraw/zinc/00/19/09/969001909.db2.gz ZZVCWVXVBWVLRD-BETUJISGSA-N 1 3 240.391 1.828 20 0 BDADHO CC[NH+]1C[C@H]2CN(CCCCOC)C[C@@H]2C1 ZINC001209219709 969409879 /nfs/dbraw/zinc/40/98/79/969409879.db2.gz LYYINKXPVFSPNK-STQMWFEESA-N 1 3 226.364 1.297 20 0 BDADHO CN1CCC[C@H]([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001254504466 969674000 /nfs/dbraw/zinc/67/40/00/969674000.db2.gz BKKYRXVMZKGOHF-TUAOUCFPSA-N 1 3 230.327 1.187 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@H]1CCSC1)CC2 ZINC001255292570 970051072 /nfs/dbraw/zinc/05/10/72/970051072.db2.gz GLXRXFXZPFWIHK-NSHDSACASA-N 1 3 226.389 1.520 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H](C)CO ZINC001255940713 970572522 /nfs/dbraw/zinc/57/25/22/970572522.db2.gz FRONEPMUOFOOBL-QWRGUYRKSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)CO ZINC001255940713 970572529 /nfs/dbraw/zinc/57/25/29/970572529.db2.gz FRONEPMUOFOOBL-QWRGUYRKSA-N 1 3 202.342 1.077 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC001255945888 970576294 /nfs/dbraw/zinc/57/62/94/970576294.db2.gz OXRUGEPQQABOSI-MJBXVCDLSA-N 1 3 242.407 2.000 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC001255949850 970581753 /nfs/dbraw/zinc/58/17/53/970581753.db2.gz BUDOJMOQWUPZDG-RWMBFGLXSA-N 1 3 242.407 1.856 20 0 BDADHO CN1CC(CNc2ccccc2CC[NH3+])C1 ZINC001170256504 970640512 /nfs/dbraw/zinc/64/05/12/970640512.db2.gz PDARRSWFBCWBDD-UHFFFAOYSA-N 1 3 219.332 1.161 20 0 BDADHO C[C@H](N)c1nccn1C1CC[NH+](C)CC1 ZINC001256195111 970690109 /nfs/dbraw/zinc/69/01/09/970690109.db2.gz ZPDKWRHLLTZVDL-VIFPVBQESA-N 1 3 208.309 1.170 20 0 BDADHO [NH3+]C[C@]1(F)CCCCN(CCC2CC2)C1 ZINC001206337322 978602021 /nfs/dbraw/zinc/60/20/21/978602021.db2.gz TTXKQTBUQUVJBW-GFCCVEGCSA-N 1 3 214.328 1.939 20 0 BDADHO C[NH+](C)CCN1CCC12CN(C1CCCC1)C2 ZINC001277930995 978996408 /nfs/dbraw/zinc/99/64/08/978996408.db2.gz ZIPMOKRBEYBJSR-UHFFFAOYSA-N 1 3 237.391 1.251 20 0 BDADHO CC1(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)COC1 ZINC001237384311 979882715 /nfs/dbraw/zinc/88/27/15/979882715.db2.gz VRNGSRHYNJOGMC-NEPJUHHUSA-N 1 3 224.348 1.097 20 0 BDADHO CC(C)[C@H]([NH2+]CC[C@@H]1CCCN1C)C(C)(C)O ZINC001194176809 981590807 /nfs/dbraw/zinc/59/08/07/981590807.db2.gz QIZCGEMVWDTRDP-STQMWFEESA-N 1 3 242.407 1.856 20 0 BDADHO CCCC[C@@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001252093622 983534275 /nfs/dbraw/zinc/53/42/75/983534275.db2.gz IVHSPAUFAKNGMB-CYBMUJFWSA-N 1 3 240.391 1.565 20 0 BDADHO CCOCC[C@@H](C)[NH+]1CCC(N(C)C)CC1 ZINC001172423174 974697411 /nfs/dbraw/zinc/69/74/11/974697411.db2.gz JXODVSGFCADLNV-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO COC(=O)CC(C)(C)[N@H+](C)C[C@H](N)CC(C)C ZINC001327414956 972573168 /nfs/dbraw/zinc/57/31/68/972573168.db2.gz GLAXDLMXPHJLBN-LLVKDONJSA-N 1 3 244.379 1.633 20 0 BDADHO COC(=O)CC(C)(C)[N@@H+](C)C[C@H](N)CC(C)C ZINC001327414956 972573176 /nfs/dbraw/zinc/57/31/76/972573176.db2.gz GLAXDLMXPHJLBN-LLVKDONJSA-N 1 3 244.379 1.633 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@@]3(CCO3)C2)CC[NH2+]1 ZINC001246828666 973119533 /nfs/dbraw/zinc/11/95/33/973119533.db2.gz FMZWIVPRJVBWCH-JHJVBQTASA-N 1 3 224.348 1.382 20 0 BDADHO C[C@H](Cc1ccccn1)NC(C)(C)C[NH3+] ZINC001256397305 970803733 /nfs/dbraw/zinc/80/37/33/970803733.db2.gz QTIKOOXKKPSVSD-SNVBAGLBSA-N 1 3 207.321 1.340 20 0 BDADHO CC(C)(C)[NH+]1CCC(NCC2(O)CC2)CC1 ZINC001256555405 970858025 /nfs/dbraw/zinc/85/80/25/970858025.db2.gz YFNPMGXAVDQAKM-UHFFFAOYSA-N 1 3 226.364 1.364 20 0 BDADHO CC(C)(C)N1CCC([NH2+]CCC2COC2)CC1 ZINC001256562217 970864417 /nfs/dbraw/zinc/86/44/17/970864417.db2.gz MXNZDBLPOJVUOE-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)CCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403245908 970898139 /nfs/dbraw/zinc/89/81/39/970898139.db2.gz RBSYLONCHVOMSD-SNVBAGLBSA-N 1 3 220.307 1.948 20 0 BDADHO CC(C)CN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403264639 970901840 /nfs/dbraw/zinc/90/18/40/970901840.db2.gz ZETMURPZTYLMGQ-VIFPVBQESA-N 1 3 206.280 1.558 20 0 BDADHO CC(C)CN1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000720951960 973815379 /nfs/dbraw/zinc/81/53/79/973815379.db2.gz UAVYRLROQZLPAZ-MQMHXKEQSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@H](CN)C[N@H+](C)C1C[C@H](C)O[C@@H](C)C1 ZINC001257082542 971093434 /nfs/dbraw/zinc/09/34/34/971093434.db2.gz AAWGQDFKYQIHKP-VWYCJHECSA-N 1 3 214.353 1.469 20 0 BDADHO C[C@H](CN)C[N@@H+](C)C1C[C@H](C)O[C@@H](C)C1 ZINC001257082542 971093441 /nfs/dbraw/zinc/09/34/41/971093441.db2.gz AAWGQDFKYQIHKP-VWYCJHECSA-N 1 3 214.353 1.469 20 0 BDADHO COC(=O)[C@@H]1CC[C@H](N(C)CCC[NH+](C)C)C1 ZINC001170535428 971110864 /nfs/dbraw/zinc/11/08/64/971110864.db2.gz AXYQDHKZFUUZFR-NEPJUHHUSA-N 1 3 242.363 1.212 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC001257214341 971127477 /nfs/dbraw/zinc/12/74/77/971127477.db2.gz BRYZUXBJYIHLOH-GXTWGEPZSA-N 1 3 240.391 1.562 20 0 BDADHO C[C@@H](Nc1c[nH]cc2ccnc1-2)[C@@H]1C[NH2+]CCO1 ZINC001170568980 971203534 /nfs/dbraw/zinc/20/35/34/971203534.db2.gz QHPLMEZQTGIUIG-SKDRFNHKSA-N 1 3 246.314 1.352 20 0 BDADHO C[C@@H](Nc1ccc([C@H](C)[NH3+])cc1)[C@@H]1CNCCO1 ZINC001170575481 971230210 /nfs/dbraw/zinc/23/02/10/971230210.db2.gz XJBGQFWJWBRDOG-WDMOLILDSA-N 1 3 249.358 1.495 20 0 BDADHO CC(F)(F)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405414234 971253399 /nfs/dbraw/zinc/25/33/99/971253399.db2.gz NXVXOWRJBYNKOP-DTWKUNHWSA-N 1 3 218.291 1.891 20 0 BDADHO CC(F)(F)CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405414234 971253403 /nfs/dbraw/zinc/25/34/03/971253403.db2.gz NXVXOWRJBYNKOP-DTWKUNHWSA-N 1 3 218.291 1.891 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCOCC2CC2)C12CCC2 ZINC000405432333 971255474 /nfs/dbraw/zinc/25/54/74/971255474.db2.gz SOYUJDONZMIRQW-NWDGAFQWSA-N 1 3 224.348 1.273 20 0 BDADHO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405501176 971263666 /nfs/dbraw/zinc/26/36/66/971263666.db2.gz QXPGBZKFJSJMSU-IJLUTSLNSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405501170 971266130 /nfs/dbraw/zinc/26/61/30/971266130.db2.gz QXPGBZKFJSJMSU-GRYCIOLGSA-N 1 3 240.391 1.643 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@H](C)[C@@H]1C)CN1CCCC1 ZINC000405565411 971275732 /nfs/dbraw/zinc/27/57/32/971275732.db2.gz ZZJYHBNKSIYQSL-XJFOESAGSA-N 1 3 240.391 1.731 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@H](C)[C@@H]1C)C[NH+]1CCCC1 ZINC000405565411 971275737 /nfs/dbraw/zinc/27/57/37/971275737.db2.gz ZZJYHBNKSIYQSL-XJFOESAGSA-N 1 3 240.391 1.731 20 0 BDADHO CC[C@H](C)[NH+](CCN(C)C)CCN(C)C ZINC001257443862 971359816 /nfs/dbraw/zinc/35/98/16/971359816.db2.gz YQSANFBLJOGPPI-LBPRGKRZSA-N 1 3 215.385 1.210 20 0 BDADHO CC(C)[N@H+](CCCN)[C@H]1CCCSC1 ZINC001257657411 971460118 /nfs/dbraw/zinc/46/01/18/971460118.db2.gz FFMSXEVJOLTMEH-NSHDSACASA-N 1 3 216.394 1.941 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@H]1CCCSC1 ZINC001257657411 971460120 /nfs/dbraw/zinc/46/01/20/971460120.db2.gz FFMSXEVJOLTMEH-NSHDSACASA-N 1 3 216.394 1.941 20 0 BDADHO COC(=O)C1CCC(N2CCC[C@H]2C[NH3+])CC1 ZINC001257855517 971504198 /nfs/dbraw/zinc/50/41/98/971504198.db2.gz QUBCWEVBSOLOOO-MCIGGMRASA-N 1 3 240.347 1.141 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@]2(C)CCOC2)CC1 ZINC001258007545 971552335 /nfs/dbraw/zinc/55/23/35/971552335.db2.gz GPVDRZDRAMIHIS-CQSZACIVSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@@]2(C)C[C@H](O)C2)CC1 ZINC001258002720 971555569 /nfs/dbraw/zinc/55/55/69/971555569.db2.gz AJNNFGWWCNSWBT-HDJSIYSDSA-N 1 3 240.391 1.610 20 0 BDADHO CN(C)Cc1ccccc1O[C@H]1CC[NH2+]C1 ZINC001218182597 971618178 /nfs/dbraw/zinc/61/81/78/971618178.db2.gz WSVIDMWGDUUKMP-LBPRGKRZSA-N 1 3 220.316 1.489 20 0 BDADHO CCN(CC)CC(=O)NCC[NH2+]CC=C(C)C ZINC001135510604 971907102 /nfs/dbraw/zinc/90/71/02/971907102.db2.gz BYJSZXPEIQKGCV-UHFFFAOYSA-N 1 3 241.379 1.000 20 0 BDADHO C[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H]1CNCCO1 ZINC001159488212 971913618 /nfs/dbraw/zinc/91/36/18/971913618.db2.gz ATWLAIKLPWSSHT-SKDRFNHKSA-N 1 3 246.314 1.352 20 0 BDADHO CN1CC2(C1)CC[NH+]([C@H]1CCCOCC1)CC2 ZINC001170837030 971958628 /nfs/dbraw/zinc/95/86/28/971958628.db2.gz YXGIHLIYJQNKAX-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2cc[nH]c2c1 ZINC001218942328 971967042 /nfs/dbraw/zinc/96/70/42/971967042.db2.gz HKPCSFMPUGONAH-LLVKDONJSA-N 1 3 246.314 1.173 20 0 BDADHO Cc1cc(C)c(NC(=O)[C@@H](N)CCC[NH3+])cc1C ZINC001219007152 971973585 /nfs/dbraw/zinc/97/35/85/971973585.db2.gz JPSXUYVUQDVUOR-LBPRGKRZSA-N 1 3 249.358 1.617 20 0 BDADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135979611 972015866 /nfs/dbraw/zinc/01/58/66/972015866.db2.gz HRGVDTKRNSJWLI-NWDGAFQWSA-N 1 3 243.395 1.221 20 0 BDADHO Cc1[nH]c2ncc(N[C@H](N)CCC[NH3+])cc2c1C ZINC001170900348 972066409 /nfs/dbraw/zinc/06/64/09/972066409.db2.gz KIIHLWQNKWHSFZ-LBPRGKRZSA-N 1 3 247.346 1.615 20 0 BDADHO Cc1cc2cc(N[C@@H](N)CCC[NH3+])ccc2[nH]1 ZINC001170901113 972070584 /nfs/dbraw/zinc/07/05/84/972070584.db2.gz WQQVRXUTQXWWEY-CYBMUJFWSA-N 1 3 232.331 1.912 20 0 BDADHO C[C@@H](N)c1nccn1[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079656 972130815 /nfs/dbraw/zinc/13/08/15/972130815.db2.gz DWWCZYGKBPSNRQ-OPRDCNLKSA-N 1 3 208.309 1.216 20 0 BDADHO COC(=O)C1CCC([NH2+]C2CCNCC2)CC1 ZINC001246080420 972134244 /nfs/dbraw/zinc/13/42/44/972134244.db2.gz QXUQJDIRYYJPBK-UHFFFAOYSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC001246095673 972149484 /nfs/dbraw/zinc/14/94/84/972149484.db2.gz BXVTXZICJWQEOB-TUAOUCFPSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@@H]1CC[C@H](CNC2CCSCC2)[NH2+]C1 ZINC001246110180 972174352 /nfs/dbraw/zinc/17/43/52/972174352.db2.gz HLLOJDCNLCWBAW-ZYHUDNBSSA-N 1 3 228.405 1.860 20 0 BDADHO Fc1cccc2c1C[C@@H](NC[C@H]1CCC[NH2+]C1)C2 ZINC001246198575 972214996 /nfs/dbraw/zinc/21/49/96/972214996.db2.gz QJHXVWIWNGJFFS-AAEUAGOBSA-N 1 3 248.345 1.882 20 0 BDADHO CC1(C)C[C@@H](NC[C@H]2CCC[NH2+]C2)CO1 ZINC000396511154 956896660 /nfs/dbraw/zinc/89/66/60/956896660.db2.gz XMPJXJIZPQHECS-WDEREUQCSA-N 1 3 212.337 1.143 20 0 BDADHO CN1CCC[C@@H](C[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001208614980 957105097 /nfs/dbraw/zinc/10/50/97/957105097.db2.gz GJMSPUQLBIYRGY-CYBMUJFWSA-N 1 3 239.407 1.354 20 0 BDADHO CN1CCC[C@@H](C[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001208614980 957105111 /nfs/dbraw/zinc/10/51/11/957105111.db2.gz GJMSPUQLBIYRGY-CYBMUJFWSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H](CO)C2CCCCC2)CCN1 ZINC001246265641 972251096 /nfs/dbraw/zinc/25/10/96/972251096.db2.gz NBMNGLLRURIZOK-FPMFFAJLSA-N 1 3 240.391 1.658 20 0 BDADHO C[NH2+]CC[C@H](C)NC[C@@H]1Cc2ccccc2CN1 ZINC001246277439 972253744 /nfs/dbraw/zinc/25/37/44/972253744.db2.gz JEHQGEAHYMMWCV-WFASDCNBSA-N 1 3 247.386 1.289 20 0 BDADHO c1ccc2c(c1)CCC(N[C@@H]1CC13C[NH2+]C3)CC2 ZINC001246442997 972315011 /nfs/dbraw/zinc/31/50/11/972315011.db2.gz FNNDVTCDFROFDR-OAHLLOKOSA-N 1 3 242.366 1.886 20 0 BDADHO c1ccc2c(c1)CCC([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246442997 972315014 /nfs/dbraw/zinc/31/50/14/972315014.db2.gz FNNDVTCDFROFDR-OAHLLOKOSA-N 1 3 242.366 1.886 20 0 BDADHO C1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@]12CCCOC2 ZINC001246466482 972341498 /nfs/dbraw/zinc/34/14/98/972341498.db2.gz QSJAYYBKOIMLOX-PJIALRRASA-N 1 3 236.359 1.428 20 0 BDADHO C[C@H]1CC[C@H](NCCCn2ccnc2)C[NH2+]1 ZINC000398958840 958460752 /nfs/dbraw/zinc/46/07/52/958460752.db2.gz KNUCZKHGMUJXIK-RYUDHWBXSA-N 1 3 222.336 1.003 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C(C)(C)O)CCN1 ZINC000707564111 958588289 /nfs/dbraw/zinc/58/82/89/958588289.db2.gz KIWREYDVEYAZHL-GRYCIOLGSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C(C)(C)O)CCN1 ZINC000707564111 958588299 /nfs/dbraw/zinc/58/82/99/958588299.db2.gz KIWREYDVEYAZHL-GRYCIOLGSA-N 1 3 226.364 1.362 20 0 BDADHO Cc1csc(CNC[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000693562858 958810402 /nfs/dbraw/zinc/81/04/02/958810402.db2.gz RCVCWKIMRKAGBT-DTORHVGOSA-N 1 3 211.334 1.278 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)[C@@H]1CCN ZINC000404412729 959251610 /nfs/dbraw/zinc/25/16/10/959251610.db2.gz DTONKUZPQQVSSN-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)[C@@H]1CCN ZINC000404412729 959251623 /nfs/dbraw/zinc/25/16/23/959251623.db2.gz DTONKUZPQQVSSN-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO CSCC[C@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246529483 972417331 /nfs/dbraw/zinc/41/73/31/972417331.db2.gz KMQBXEHAFRRZTC-VHSXEESVSA-N 1 3 202.367 1.551 20 0 BDADHO CSCC[C@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246529483 972417338 /nfs/dbraw/zinc/41/73/38/972417338.db2.gz KMQBXEHAFRRZTC-VHSXEESVSA-N 1 3 202.367 1.551 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCCC2)C12CCC2 ZINC000405496699 959452520 /nfs/dbraw/zinc/45/25/20/959452520.db2.gz QBLJHPPPZDJIAJ-XQQFMLRXSA-N 1 3 238.375 1.397 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CO[C@H]1C ZINC000405693560 959487388 /nfs/dbraw/zinc/48/73/88/959487388.db2.gz WZSOTOSJLIHNBO-PDWCTOEPSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1[C@@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)CO[C@H]1C ZINC000405693560 959487403 /nfs/dbraw/zinc/48/74/03/959487403.db2.gz WZSOTOSJLIHNBO-PDWCTOEPSA-N 1 3 238.375 1.626 20 0 BDADHO C[NH+]1CCC(CN2CCc3cnccc3C2)CC1 ZINC001207391272 959625347 /nfs/dbraw/zinc/62/53/47/959625347.db2.gz AKMMKAHGSIHXEG-UHFFFAOYSA-N 1 3 245.370 1.782 20 0 BDADHO C[C@@H]1CC[C@H](O)CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709280100 960467942 /nfs/dbraw/zinc/46/79/42/960467942.db2.gz FAQVOHFPDQFLJW-VKYHIEHISA-N 1 3 224.348 1.115 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1[C@H]1CC2CCN(CC2)C1 ZINC001246537640 972510774 /nfs/dbraw/zinc/51/07/74/972510774.db2.gz JDCUQHODPSEMTQ-UBHSHLNASA-N 1 3 237.391 1.282 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1[C@H]1CC2CCN(CC2)C1 ZINC001246537640 972510795 /nfs/dbraw/zinc/51/07/95/972510795.db2.gz JDCUQHODPSEMTQ-UBHSHLNASA-N 1 3 237.391 1.282 20 0 BDADHO CC(C)(C)CC[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491958 972519311 /nfs/dbraw/zinc/51/93/11/972519311.db2.gz LEXUJVJLGVKBNZ-STQMWFEESA-N 1 3 239.407 1.448 20 0 BDADHO CN(CCC[NH+](C)C)Cc1cnc2cc[nH]cc1-2 ZINC001140799390 960583712 /nfs/dbraw/zinc/58/37/12/960583712.db2.gz BWIAOJKKTDDNMA-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CN(CCC[NH+](C)C)Cc1c[nH]c2ccncc12 ZINC001140799390 960583725 /nfs/dbraw/zinc/58/37/25/960583725.db2.gz BWIAOJKKTDDNMA-UHFFFAOYSA-N 1 3 246.358 1.946 20 0 BDADHO CC(C)(C)CC[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491958 972519306 /nfs/dbraw/zinc/51/93/06/972519306.db2.gz LEXUJVJLGVKBNZ-STQMWFEESA-N 1 3 239.407 1.448 20 0 BDADHO OC[C@H]1CCCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709474353 960620506 /nfs/dbraw/zinc/62/05/06/960620506.db2.gz HYBLMCVMBWRIBH-DAAZQVBGSA-N 1 3 224.348 1.116 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@H]2CCOC(C)(C)C2)C[NH2+]1 ZINC000399088028 961073425 /nfs/dbraw/zinc/07/34/25/961073425.db2.gz VKWMCBMZBPILRH-GRYCIOLGSA-N 1 3 226.364 1.674 20 0 BDADHO CC[NH+](CC)CCC[C@@H](C)N1C[C@@H]2C[C@H]1CO2 ZINC001167826051 961158514 /nfs/dbraw/zinc/15/85/14/961158514.db2.gz MCSVAVKCHBKZBE-RDBSUJKOSA-N 1 3 240.391 1.970 20 0 BDADHO CC1(CN2CCC(F)(F)[C@@H](N)C2)CC[NH2+]CC1 ZINC001206649126 962616011 /nfs/dbraw/zinc/61/60/11/962616011.db2.gz QTOUANJWTCVXTN-JTQLQIEISA-N 1 3 247.333 1.044 20 0 BDADHO Nc1ccnc(-n2ccc3cc(C[NH3+])cnc32)c1 ZINC001156594323 963400620 /nfs/dbraw/zinc/40/06/20/963400620.db2.gz ZRGSRQZHIVAUQJ-UHFFFAOYSA-N 1 3 239.282 1.461 20 0 BDADHO C[C@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CCO1 ZINC001168135922 963831021 /nfs/dbraw/zinc/83/10/21/963831021.db2.gz HYKLVLUXKRKXJD-QWHCGFSZSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@]1(C[NH3+])CCCN(c2cccc(N)n2)C1 ZINC001158674890 963900038 /nfs/dbraw/zinc/90/00/38/963900038.db2.gz DNIMOMJBTIMXSW-GFCCVEGCSA-N 1 3 220.320 1.229 20 0 BDADHO CN(C)c1cccc(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159039883 963981470 /nfs/dbraw/zinc/98/14/70/963981470.db2.gz RVBGIEMMDRXBPC-UHFFFAOYSA-N 1 3 246.358 1.337 20 0 BDADHO CN1CC(CNc2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001159222496 964022776 /nfs/dbraw/zinc/02/27/76/964022776.db2.gz OQKCJRARYLBUKB-UHFFFAOYSA-N 1 3 243.314 1.241 20 0 BDADHO Cc1cc(C)nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159489118 964112534 /nfs/dbraw/zinc/11/25/34/964112534.db2.gz JRUSPLZSYIJIPM-NWDGAFQWSA-N 1 3 235.331 1.487 20 0 BDADHO CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001482890092 964232524 /nfs/dbraw/zinc/23/25/24/964232524.db2.gz VNGFDYSQASZZFZ-NEPJUHHUSA-N 1 3 243.395 1.077 20 0 BDADHO COCC[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000697870290 964596436 /nfs/dbraw/zinc/59/64/36/964596436.db2.gz KNOSDDLXFRFYTQ-MNOVXSKESA-N 1 3 202.342 1.341 20 0 BDADHO CC(=O)OCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001168371420 964940232 /nfs/dbraw/zinc/94/02/32/964940232.db2.gz LBLSZBHWJMIGRZ-UHFFFAOYSA-N 1 3 240.347 1.014 20 0 BDADHO CN(C)Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC001162395596 964956333 /nfs/dbraw/zinc/95/63/33/964956333.db2.gz VJLGIZFKYDOBMZ-OLZOCXBDSA-N 1 3 248.374 1.825 20 0 BDADHO NCc1cc(Nc2ccc(C[NH3+])c(F)c2)ncn1 ZINC001162522969 965023569 /nfs/dbraw/zinc/02/35/69/965023569.db2.gz ZAOYCJHYMSRLPN-UHFFFAOYSA-N 1 3 247.277 1.277 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@](C)(C(F)F)O1 ZINC000698774729 965496576 /nfs/dbraw/zinc/49/65/76/965496576.db2.gz MLTLMTXRILUAKD-MWGHHZFTSA-N 1 3 248.317 1.468 20 0 BDADHO C[NH2+]C1CN(c2nc(C)cc3[nH]ccc32)C1 ZINC001163706897 965523813 /nfs/dbraw/zinc/52/38/13/965523813.db2.gz MOWTWPYGRAUXPI-UHFFFAOYSA-N 1 3 216.288 1.279 20 0 BDADHO C[NH2+]CCN(C)c1ncccc1CN1CCCC1 ZINC001163722396 965535258 /nfs/dbraw/zinc/53/52/58/965535258.db2.gz LHFCQVJOOOIKMA-UHFFFAOYSA-N 1 3 248.374 1.333 20 0 BDADHO CC(C)(C)[C@H](O)CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000714960807 965569305 /nfs/dbraw/zinc/56/93/05/965569305.db2.gz JUZKDJJJDYCNEI-FRRDWIJNSA-N 1 3 240.391 1.467 20 0 BDADHO CCCOCCN[C@H]1CCC[N@H+](C)CC1 ZINC000714986483 965577260 /nfs/dbraw/zinc/57/72/60/965577260.db2.gz PRBVHMVLIKFBBK-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CCCOCCN[C@H]1CCC[N@@H+](C)CC1 ZINC000714986483 965577275 /nfs/dbraw/zinc/57/72/75/965577275.db2.gz PRBVHMVLIKFBBK-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO Cc1cc(CN)nn1-c1ccc([C@H](C)[NH3+])nc1 ZINC001163988980 965684816 /nfs/dbraw/zinc/68/48/16/965684816.db2.gz YMFOQBSWGIHMTA-VIFPVBQESA-N 1 3 231.303 1.054 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2c[nH]c3cccnc23)CC1 ZINC001205110098 965836218 /nfs/dbraw/zinc/83/62/18/965836218.db2.gz OOUZOJNSQBYQDN-LBPRGKRZSA-N 1 3 244.342 1.876 20 0 BDADHO C[C@@H]1COC[C@H]1NCC[C@H]1CCCC[N@@H+]1C ZINC000699742072 966051376 /nfs/dbraw/zinc/05/13/76/966051376.db2.gz KUNPUXJKZQZATL-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1COC[C@H]1NCC[C@H]1CCCC[N@H+]1C ZINC000699742072 966051393 /nfs/dbraw/zinc/05/13/93/966051393.db2.gz KUNPUXJKZQZATL-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H](N)C[NH+]1CCC(Cc2ccncc2)CC1 ZINC001236097698 966266006 /nfs/dbraw/zinc/26/60/06/966266006.db2.gz MBXDUMHQLZFJMO-GFCCVEGCSA-N 1 3 233.359 1.683 20 0 BDADHO CC(C)[NH+]1CCC(CNc2cncn2C)CC1 ZINC001166615948 966331486 /nfs/dbraw/zinc/33/14/86/966331486.db2.gz PRMNDVGLMUVEBZ-UHFFFAOYSA-N 1 3 236.363 1.952 20 0 BDADHO Nc1cccc(F)c1CN1CCC(C[NH3+])CC1 ZINC001205041284 967267172 /nfs/dbraw/zinc/26/71/72/967267172.db2.gz RVEYBZLCCJJUDO-UHFFFAOYSA-N 1 3 237.322 1.579 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2cccc3c2NCC3)CC1 ZINC001205123959 967368857 /nfs/dbraw/zinc/36/88/57/967368857.db2.gz HUAVJBFXCGTZCQ-AWEZNQCLSA-N 1 3 245.370 1.968 20 0 BDADHO Cc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)ccc1O ZINC001205140517 967390912 /nfs/dbraw/zinc/39/09/12/967390912.db2.gz LHEOXMUADHAYOH-WCQYABFASA-N 1 3 234.343 1.727 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693711828 967410036 /nfs/dbraw/zinc/41/00/36/967410036.db2.gz ZTTSVANMJRFUJT-FVCCEPFGSA-N 1 3 240.391 1.370 20 0 BDADHO CC(C)[C@H](O)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693711828 967410042 /nfs/dbraw/zinc/41/00/42/967410042.db2.gz ZTTSVANMJRFUJT-FVCCEPFGSA-N 1 3 240.391 1.370 20 0 BDADHO Cn1nccc1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205545541 967690291 /nfs/dbraw/zinc/69/02/91/967690291.db2.gz JBVNRDMTOOJYJG-GFCCVEGCSA-N 1 3 240.326 1.073 20 0 BDADHO COC1CC(C[N@@H+]2CC[C@](C)(CN)C2)C1 ZINC000703840834 967878585 /nfs/dbraw/zinc/87/85/85/967878585.db2.gz PDCASQLNDVHPCW-HTAVTVPLSA-N 1 3 212.337 1.082 20 0 BDADHO COC1CC(C[N@H+]2CC[C@](C)(CN)C2)C1 ZINC000703840834 967878587 /nfs/dbraw/zinc/87/85/87/967878587.db2.gz PDCASQLNDVHPCW-HTAVTVPLSA-N 1 3 212.337 1.082 20 0 BDADHO N[C@@]1(C(F)(F)F)CCN(CCCCC[NH3+])C1 ZINC001206222475 968151472 /nfs/dbraw/zinc/15/14/72/968151472.db2.gz OUALAQVMTYAANN-VIFPVBQESA-N 1 3 239.285 1.081 20 0 BDADHO C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc([O-])cn2)CC1 ZINC001206317082 968222085 /nfs/dbraw/zinc/22/20/85/968222085.db2.gz CKQWJUYQRGOQAA-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc([O-])cn2)CC1 ZINC001206317082 968222094 /nfs/dbraw/zinc/22/20/94/968222094.db2.gz CKQWJUYQRGOQAA-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO CC(C)c1ccccc1CN1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530969 968359452 /nfs/dbraw/zinc/35/94/52/968359452.db2.gz YHPYKPMXKFQDLK-ZFWWWQNUSA-N 1 3 248.370 1.561 20 0 BDADHO C[C@H]1CC[N@@H+](CCCCCO)C[C@@H]1CN ZINC000163883504 968406771 /nfs/dbraw/zinc/40/67/71/968406771.db2.gz JKJMZPJCSCKLRE-RYUDHWBXSA-N 1 3 214.353 1.066 20 0 BDADHO C[C@H]1CCN(CCCCCO)C[C@@H]1C[NH3+] ZINC000163883504 968406775 /nfs/dbraw/zinc/40/67/75/968406775.db2.gz JKJMZPJCSCKLRE-RYUDHWBXSA-N 1 3 214.353 1.066 20 0 BDADHO C[C@H]1CC[N@H+](CCCCCO)C[C@@H]1CN ZINC000163883504 968406761 /nfs/dbraw/zinc/40/67/61/968406761.db2.gz JKJMZPJCSCKLRE-RYUDHWBXSA-N 1 3 214.353 1.066 20 0 BDADHO C[NH+]1CC2(C1)CCN(Cc1cncc(F)c1)CC2 ZINC001207025259 968557993 /nfs/dbraw/zinc/55/79/93/968557993.db2.gz XKIZHZVMEWPGAG-UHFFFAOYSA-N 1 3 249.333 1.748 20 0 BDADHO C[NH+](C)CCN1CCC12CN(CCC1CC1)C2 ZINC001276512863 968673515 /nfs/dbraw/zinc/67/35/15/968673515.db2.gz BPPCVOWGQHIHDN-UHFFFAOYSA-N 1 3 237.391 1.108 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@@H]1CO ZINC001207278892 968712569 /nfs/dbraw/zinc/71/25/69/968712569.db2.gz GFOBXYWVQGBHMV-LLVKDONJSA-N 1 3 214.353 1.031 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCCC[C@@H]1CO ZINC001207276553 968712975 /nfs/dbraw/zinc/71/29/75/968712975.db2.gz ZFQWMJHGGUNHTR-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1CCN(CC2CC[NH2+]CC2)CCC1=O ZINC001207436879 968771368 /nfs/dbraw/zinc/77/13/68/968771368.db2.gz VVWGNRVPEXLCJQ-LLVKDONJSA-N 1 3 224.348 1.287 20 0 BDADHO CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001207835421 968895437 /nfs/dbraw/zinc/89/54/37/968895437.db2.gz CBQBETLIYSJQOA-QNWHQSFQSA-N 1 3 226.364 1.341 20 0 BDADHO CCN1C[C@@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]2C1 ZINC001207963337 968958119 /nfs/dbraw/zinc/95/81/19/968958119.db2.gz GCDCQUDYLGXUOL-MGPQQGTHSA-N 1 3 238.375 1.439 20 0 BDADHO Cc1cc2[nH]ccc2c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001155353756 968962962 /nfs/dbraw/zinc/96/29/62/968962962.db2.gz RCPJVZGGEVKHND-GXSJLCMTSA-N 1 3 232.287 1.009 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCCN(C)C1)C2 ZINC001169095722 969387631 /nfs/dbraw/zinc/38/76/31/969387631.db2.gz SBEMULHCOIGAJT-SYQHCUMBSA-N 1 3 237.391 1.295 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)C2 ZINC001169098088 969390488 /nfs/dbraw/zinc/39/04/88/969390488.db2.gz FRJNENFZNACVDS-CLLJXQQHSA-N 1 3 247.342 1.502 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC001169100526 969393360 /nfs/dbraw/zinc/39/33/60/969393360.db2.gz KNUCYECRLRXNEO-WISYIIOYSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001169100526 969393365 /nfs/dbraw/zinc/39/33/65/969393365.db2.gz KNUCYECRLRXNEO-WISYIIOYSA-N 1 3 234.347 1.701 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCn1ccnc1)C2 ZINC001169081350 969401817 /nfs/dbraw/zinc/40/18/17/969401817.db2.gz RUXKPUSWIVDXCE-BTTYYORXSA-N 1 3 248.374 1.488 20 0 BDADHO C[C@H]([NH3+])c1ccn(-c2ccc(CN(C)C)cn2)n1 ZINC001169230648 969502011 /nfs/dbraw/zinc/50/20/11/969502011.db2.gz VFTMXDOTYJSALG-JTQLQIEISA-N 1 3 245.330 1.349 20 0 BDADHO C[C@@H]([NH3+])c1ccn(-c2cccc(CN(C)C)n2)n1 ZINC001169231276 969508131 /nfs/dbraw/zinc/50/81/31/969508131.db2.gz HCYYDDYTXYUOKS-SNVBAGLBSA-N 1 3 245.330 1.349 20 0 BDADHO C[C@H]([NH3+])c1ccn(-c2c[nH]cc3ccnc2-3)n1 ZINC001169233235 969513729 /nfs/dbraw/zinc/51/37/29/969513729.db2.gz PDDNYXLBNKFOEB-QMMMGPOBSA-N 1 3 227.271 1.768 20 0 BDADHO C[C@H]([NH3+])c1ccn(-c2cncc3cc[nH]c32)n1 ZINC001169233235 969513735 /nfs/dbraw/zinc/51/37/35/969513735.db2.gz PDDNYXLBNKFOEB-QMMMGPOBSA-N 1 3 227.271 1.768 20 0 BDADHO CCCO[C@@H]1CCN(C2CC[NH+](CC)CC2)C1 ZINC001169258940 969541939 /nfs/dbraw/zinc/54/19/39/969541939.db2.gz VJEDMGCJKHSYSU-CQSZACIVSA-N 1 3 240.391 1.972 20 0 BDADHO Nc1ccncc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001209731597 969595063 /nfs/dbraw/zinc/59/50/63/969595063.db2.gz ULGMBGQIPAVSMX-SECBINFHSA-N 1 3 241.285 1.971 20 0 BDADHO Nc1ccncc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001209731597 969595069 /nfs/dbraw/zinc/59/50/69/969595069.db2.gz ULGMBGQIPAVSMX-SECBINFHSA-N 1 3 241.285 1.971 20 0 BDADHO C[C@H](N)c1ccn([C@H]2CCC[N@@H+](C)CC2)n1 ZINC001254506012 969670666 /nfs/dbraw/zinc/67/06/66/969670666.db2.gz NLRCCNDLGTWHEM-QWRGUYRKSA-N 1 3 222.336 1.560 20 0 BDADHO C[C@H](N)c1ccn([C@H]2CCC[N@H+](C)CC2)n1 ZINC001254506012 969670665 /nfs/dbraw/zinc/67/06/65/969670665.db2.gz NLRCCNDLGTWHEM-QWRGUYRKSA-N 1 3 222.336 1.560 20 0 BDADHO CN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C)CC2)C1 ZINC001254522585 969706950 /nfs/dbraw/zinc/70/69/50/969706950.db2.gz HLAMNBCSPUGKEG-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C)CC2)C1 ZINC001254522585 969706953 /nfs/dbraw/zinc/70/69/53/969706953.db2.gz HLAMNBCSPUGKEG-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO C[N@@H+]1CCC[C@@H](N2CC3(C2)CCOCC3)CC1 ZINC001254522556 969709680 /nfs/dbraw/zinc/70/96/80/969709680.db2.gz HBRVGIGBDQBNLQ-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@H](N2CC3(C2)CCOCC3)CC1 ZINC001254522556 969709694 /nfs/dbraw/zinc/70/96/94/969709694.db2.gz HBRVGIGBDQBNLQ-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@H](N)c1ccn([C@@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254840592 969801970 /nfs/dbraw/zinc/80/19/70/969801970.db2.gz JXYBOPIYMKQBQQ-CMPLNLGQSA-N 1 3 234.347 1.560 20 0 BDADHO CN(C)Cc1cccc(-n2ccc(C[NH3+])c2)n1 ZINC001169725630 969817651 /nfs/dbraw/zinc/81/76/51/969817651.db2.gz OXGJLFYDPWXAIU-UHFFFAOYSA-N 1 3 230.315 1.393 20 0 BDADHO C[NH2+][C@@]12CC[C@@](NCc3cnc(C)[nH]3)(C1)CCC2 ZINC001276682224 969866420 /nfs/dbraw/zinc/86/64/20/969866420.db2.gz HKHMTNASLXOTMP-UONOGXRCSA-N 1 3 248.374 1.873 20 0 BDADHO CCCCN1CCN([C@H]2CC[N@H+](C)C2)CC1 ZINC001255436749 970166429 /nfs/dbraw/zinc/16/64/29/970166429.db2.gz ULXQOCUBDQOYNL-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CCCCN1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255436749 970166440 /nfs/dbraw/zinc/16/64/40/970166440.db2.gz ULXQOCUBDQOYNL-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CCN1CCN([C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001255443178 970177354 /nfs/dbraw/zinc/17/73/54/970177354.db2.gz KUCHPBRPRUSQBA-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CCN([C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001255443178 970177361 /nfs/dbraw/zinc/17/73/61/970177361.db2.gz KUCHPBRPRUSQBA-GFCCVEGCSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CCC[C@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001255469127 970193630 /nfs/dbraw/zinc/19/36/30/970193630.db2.gz BZGZRCMRISNVOT-LBPRGKRZSA-N 1 3 232.331 1.481 20 0 BDADHO CNCc1cc(-c2cccc(C[NH2+]C)c2)ncn1 ZINC001242997122 970194140 /nfs/dbraw/zinc/19/41/40/970194140.db2.gz ZUNFKFZVMHQYFQ-UHFFFAOYSA-N 1 3 242.326 1.582 20 0 BDADHO CCN1CCC([N@H+](C)[C@@H]2CCCN(C)C2)CC1 ZINC001255486670 970231982 /nfs/dbraw/zinc/23/19/82/970231982.db2.gz NKDRZORIDGWVOA-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCC([N@@H+](C)[C@@H]2CCCN(C)C2)CC1 ZINC001255486670 970231987 /nfs/dbraw/zinc/23/19/87/970231987.db2.gz NKDRZORIDGWVOA-CQSZACIVSA-N 1 3 239.407 1.497 20 0 BDADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)COC)C[C@H]2C1 ZINC001255582933 970389996 /nfs/dbraw/zinc/38/99/96/970389996.db2.gz FCMQKXMUKNAGKQ-YNEHKIRRSA-N 1 3 226.364 1.295 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCCO ZINC001255939531 970568281 /nfs/dbraw/zinc/56/82/81/970568281.db2.gz GJCLOKFPYCQUQK-LLVKDONJSA-N 1 3 202.342 1.079 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCCC(=O)N(C)C ZINC001255940389 970570962 /nfs/dbraw/zinc/57/09/62/970570962.db2.gz BEUKATKAXBNECO-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC001255945923 970576536 /nfs/dbraw/zinc/57/65/36/970576536.db2.gz PQNUZDBHVCQSKT-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCC(C)(C)C(N)=O ZINC001255945923 970576543 /nfs/dbraw/zinc/57/65/43/970576543.db2.gz PQNUZDBHVCQSKT-LLVKDONJSA-N 1 3 243.395 1.208 20 0 BDADHO CCC[C@@H](CO)[NH2+][C@H](C)CCN(CC)CC ZINC001255947791 970581376 /nfs/dbraw/zinc/58/13/76/970581376.db2.gz WQCYTAGQWZSYMP-OLZOCXBDSA-N 1 3 230.396 1.857 20 0 BDADHO CCC[C@@H](CO)N[C@H](C)CC[NH+](CC)CC ZINC001255947791 970581389 /nfs/dbraw/zinc/58/13/89/970581389.db2.gz WQCYTAGQWZSYMP-OLZOCXBDSA-N 1 3 230.396 1.857 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000400783447 970627865 /nfs/dbraw/zinc/62/78/65/970627865.db2.gz IFRCVLMTPKHINF-QJPTWQEYSA-N 1 3 243.395 1.206 20 0 BDADHO C[NH+]1CCC(N2CC3CCC2CC3)CC1 ZINC001256208350 970711879 /nfs/dbraw/zinc/71/18/79/970711879.db2.gz GRWBWXPGJJVSNY-UHFFFAOYSA-N 1 3 208.349 1.955 20 0 BDADHO Cc1cccc(CN2CCC(F)(C[NH3+])CC2)n1 ZINC001222532941 972553778 /nfs/dbraw/zinc/55/37/78/972553778.db2.gz QBHKBGSLLINQGQ-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO OCCC[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222596294 972601281 /nfs/dbraw/zinc/60/12/81/972601281.db2.gz UAYANOFKRFPYML-AWEZNQCLSA-N 1 3 246.354 1.058 20 0 BDADHO OCCC[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222596294 972601287 /nfs/dbraw/zinc/60/12/87/972601287.db2.gz UAYANOFKRFPYML-AWEZNQCLSA-N 1 3 246.354 1.058 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H](COC)CC(C)C ZINC001327838381 972753734 /nfs/dbraw/zinc/75/37/34/972753734.db2.gz GHWYAIGLIIKIPT-VXGBXAGGSA-N 1 3 216.369 1.635 20 0 BDADHO CC(C)=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587556 972986055 /nfs/dbraw/zinc/98/60/55/972986055.db2.gz UUGQLNHHLVIMFV-FRRDWIJNSA-N 1 3 226.364 1.373 20 0 BDADHO CC(C)=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587556 972986068 /nfs/dbraw/zinc/98/60/68/972986068.db2.gz UUGQLNHHLVIMFV-FRRDWIJNSA-N 1 3 226.364 1.373 20 0 BDADHO CC1(C)CCC[C@@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C1 ZINC001246587576 972991140 /nfs/dbraw/zinc/99/11/40/972991140.db2.gz UWFWWDCRMNCIBR-QJPTWQEYSA-N 1 3 226.364 1.207 20 0 BDADHO CC1(C)CCC[C@@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)C1 ZINC001246587576 972991150 /nfs/dbraw/zinc/99/11/50/972991150.db2.gz UWFWWDCRMNCIBR-QJPTWQEYSA-N 1 3 226.364 1.207 20 0 BDADHO CC1(C)CCC[C@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C1 ZINC001246587582 972992556 /nfs/dbraw/zinc/99/25/56/972992556.db2.gz UWFWWDCRMNCIBR-SDDRHHMPSA-N 1 3 226.364 1.207 20 0 BDADHO CC1(C)CCC[C@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)C1 ZINC001246587582 972992569 /nfs/dbraw/zinc/99/25/69/972992569.db2.gz UWFWWDCRMNCIBR-SDDRHHMPSA-N 1 3 226.364 1.207 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CC[C@@]3(N)C1)C2 ZINC001246856307 973174843 /nfs/dbraw/zinc/17/48/43/973174843.db2.gz WTQBASGZKWHPEG-NIFZNCRKSA-N 1 3 249.402 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H]3CC[C@@]3(N)C1)C2 ZINC001246856307 973174852 /nfs/dbraw/zinc/17/48/52/973174852.db2.gz WTQBASGZKWHPEG-NIFZNCRKSA-N 1 3 249.402 1.425 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H](C)[C@@H]1CCCO1 ZINC001329022579 973435440 /nfs/dbraw/zinc/43/54/40/973435440.db2.gz FUIGSHKGYDFYLE-VWYCJHECSA-N 1 3 200.326 1.142 20 0 BDADHO COC[C@H]1CCCN(CCC[NH2+]C2CC2)C1 ZINC000234787209 973757540 /nfs/dbraw/zinc/75/75/40/973757540.db2.gz YOOAFENGWDBCRT-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO C1=C2NCCN([C@@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2CCC1 ZINC001246991175 973768520 /nfs/dbraw/zinc/76/85/20/973768520.db2.gz AAEIRGVWTFNPJV-QVHKTLOISA-N 1 3 247.386 1.611 20 0 BDADHO C1CN([C@H]2CC[NH2+]C3(CCCCC3)C2)CN1 ZINC001246991001 973771380 /nfs/dbraw/zinc/77/13/80/973771380.db2.gz JYOSVRIUPKHJIM-LBPRGKRZSA-N 1 3 223.364 1.304 20 0 BDADHO Cc1c(N)ccnc1NC[C@H]1CCCC[NH2+]1 ZINC001171327008 973816949 /nfs/dbraw/zinc/81/69/49/973816949.db2.gz BXMUOFYCMARTMQ-SNVBAGLBSA-N 1 3 220.320 1.526 20 0 BDADHO [NH3+]C1CC(N[C@H]2Cc3cccc(F)c3C2)C1 ZINC001171783356 974171152 /nfs/dbraw/zinc/17/11/52/974171152.db2.gz PGUPAORHACQCJN-YVNMAJEFSA-N 1 3 220.291 1.372 20 0 BDADHO CCN1CC[C@H]([N@H+](CCCN)C(C)C)CC1=O ZINC001172024117 974283274 /nfs/dbraw/zinc/28/32/74/974283274.db2.gz VEGWLCORNBXHOW-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO CCN1CC[C@H]([N@@H+](CCCN)C(C)C)CC1=O ZINC001172024117 974283281 /nfs/dbraw/zinc/28/32/81/974283281.db2.gz VEGWLCORNBXHOW-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO C[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001330579042 974334410 /nfs/dbraw/zinc/33/44/10/974334410.db2.gz VTGMIBZGJWQUQJ-LLVKDONJSA-N 1 3 243.395 1.079 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(COC3)C1)C2 ZINC001172113218 974385694 /nfs/dbraw/zinc/38/56/94/974385694.db2.gz HPUKOIMPIXAPLD-CLLJXQQHSA-N 1 3 236.359 1.334 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172231799 974473225 /nfs/dbraw/zinc/47/32/25/974473225.db2.gz ZBRVGMOZOBOTPV-CPIKKWJDSA-N 1 3 236.359 1.546 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284181 974546160 /nfs/dbraw/zinc/54/61/60/974546160.db2.gz PNSUXFSKWJGEJU-AGIUHOORSA-N 1 3 238.375 1.437 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)C[C@@H]2C1 ZINC001172284181 974546167 /nfs/dbraw/zinc/54/61/67/974546167.db2.gz PNSUXFSKWJGEJU-AGIUHOORSA-N 1 3 238.375 1.437 20 0 BDADHO C[NH2+]CCNc1ccc2nc(C)[nH]c2c1 ZINC000258741709 974958423 /nfs/dbraw/zinc/95/84/23/974958423.db2.gz LAAWTBRXWQYPKA-UHFFFAOYSA-N 1 3 204.277 1.503 20 0 BDADHO C[C@H](C[NH3+])CN(C)[C@H]1CCc2ncsc2C1 ZINC001173131947 975040720 /nfs/dbraw/zinc/04/07/20/975040720.db2.gz NRUATEIRGRDQBF-ZJUUUORDSA-N 1 3 239.388 1.527 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CC[N@H+](CC)C1 ZINC001173361693 975334107 /nfs/dbraw/zinc/33/41/07/975334107.db2.gz VQWBYDZVSQYJFB-CYBMUJFWSA-N 1 3 236.363 1.561 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CC[N@@H+](CC)C1 ZINC001173361693 975334115 /nfs/dbraw/zinc/33/41/15/975334115.db2.gz VQWBYDZVSQYJFB-CYBMUJFWSA-N 1 3 236.363 1.561 20 0 BDADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN)C1 ZINC001173649679 975513908 /nfs/dbraw/zinc/51/39/08/975513908.db2.gz HOVAHLVRTNLCFM-QJPTWQEYSA-N 1 3 242.363 1.293 20 0 BDADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@H](O)C1CC1 ZINC001335930575 977371173 /nfs/dbraw/zinc/37/11/73/977371173.db2.gz VEDGFGRYZUBFKH-JSGCOSHPSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H]1CCCC[N@H+]1CCCNC[C@H](O)C1CC1 ZINC001335930575 977371179 /nfs/dbraw/zinc/37/11/79/977371179.db2.gz VEDGFGRYZUBFKH-JSGCOSHPSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H]1CCCCN1CCC[NH2+]C[C@H](O)C1CC1 ZINC001335930575 977371185 /nfs/dbraw/zinc/37/11/85/977371185.db2.gz VEDGFGRYZUBFKH-JSGCOSHPSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@@]1(C[NH3+])CCCN(Cc2cc[nH]n2)CC1 ZINC001206292844 978289014 /nfs/dbraw/zinc/28/90/14/978289014.db2.gz DRSQNZXNHHGXKF-GFCCVEGCSA-N 1 3 222.336 1.361 20 0 BDADHO CC[C@H](CNc1ccncc1)[NH+]1CCCC1 ZINC001337726389 978473710 /nfs/dbraw/zinc/47/37/10/978473710.db2.gz HRDLMGZBEVPVSX-CYBMUJFWSA-N 1 3 219.332 1.790 20 0 BDADHO CC(C)(C)[N@@H+]1CC[C@H](CNC[C@H](O)C2CC2)C1 ZINC001338491143 978694677 /nfs/dbraw/zinc/69/46/77/978694677.db2.gz FHTXRBVIIAXTDS-YPMHNXCESA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)(C)[N@H+]1CC[C@H](CNC[C@H](O)C2CC2)C1 ZINC001338491143 978694684 /nfs/dbraw/zinc/69/46/84/978694684.db2.gz FHTXRBVIIAXTDS-YPMHNXCESA-N 1 3 240.391 1.467 20 0 BDADHO CCCCCCN1CCN(C[C@H](C)[NH3+])CC1 ZINC001235692795 979122536 /nfs/dbraw/zinc/12/25/36/979122536.db2.gz SVWULBUPCVGNHD-ZDUSSCGKSA-N 1 3 227.396 1.532 20 0 BDADHO C[NH2+]C[C@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001340883363 979139290 /nfs/dbraw/zinc/13/92/90/979139290.db2.gz ZUEVEHGHZZPZTN-VIFPVBQESA-N 1 3 233.315 1.084 20 0 BDADHO CC[NH2+]CCN1CCN[C@@H](c2ccccc2)C1 ZINC001235859275 979172776 /nfs/dbraw/zinc/17/27/76/979172776.db2.gz MJOOTBQTIGLTTI-CQSZACIVSA-N 1 3 233.359 1.242 20 0 BDADHO CC[C@@H]([NH3+])CN1CCN[C@H](c2ccccc2)C1 ZINC001235857972 979175394 /nfs/dbraw/zinc/17/53/94/979175394.db2.gz BZGSMUOYLFFKNJ-KGLIPLIRSA-N 1 3 233.359 1.370 20 0 BDADHO CC(C)N(CC[NH3+])C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235948624 979222407 /nfs/dbraw/zinc/22/24/07/979222407.db2.gz RHVBHVJPXXYIST-GHMZBOCLSA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@H+](CCN)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235948624 979222414 /nfs/dbraw/zinc/22/24/14/979222414.db2.gz RHVBHVJPXXYIST-GHMZBOCLSA-N 1 3 249.349 1.146 20 0 BDADHO CC(C)[N@@H+](CCN)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235948624 979222421 /nfs/dbraw/zinc/22/24/21/979222421.db2.gz RHVBHVJPXXYIST-GHMZBOCLSA-N 1 3 249.349 1.146 20 0 BDADHO CN[C@H]1CCN1CCC[NH2+]C1CCCCC1 ZINC001236166200 979420147 /nfs/dbraw/zinc/42/01/47/979420147.db2.gz IEYKNJIBZLEKKM-CYBMUJFWSA-N 1 3 225.380 1.550 20 0 BDADHO C[C@@]1([NH3+])CCCN(Cc2ccc(CO)cc2)CC1 ZINC001205257181 979755071 /nfs/dbraw/zinc/75/50/71/979755071.db2.gz TUARQAQOMOPJQM-OAHLLOKOSA-N 1 3 248.370 1.882 20 0 BDADHO CC[C@H]([NH3+])CN(C)Cc1cc2c[nH]ccc-2n1 ZINC001236871155 979778115 /nfs/dbraw/zinc/77/81/15/979778115.db2.gz YFGKLBGPZBXWKO-NSHDSACASA-N 1 3 232.331 1.732 20 0 BDADHO CC[C@H]([NH3+])CN(C)Cc1cc2cnccc2[nH]1 ZINC001236871155 979778124 /nfs/dbraw/zinc/77/81/24/979778124.db2.gz YFGKLBGPZBXWKO-NSHDSACASA-N 1 3 232.331 1.732 20 0 BDADHO CCC(=O)C(C)(C)C[N@H+](C)C[C@H](C)N ZINC001236885825 979780570 /nfs/dbraw/zinc/78/05/70/979780570.db2.gz TXERGOQIATUIQJ-VIFPVBQESA-N 1 3 200.326 1.271 20 0 BDADHO CCC(=O)C(C)(C)C[N@@H+](C)C[C@H](C)N ZINC001236885825 979780577 /nfs/dbraw/zinc/78/05/77/979780577.db2.gz TXERGOQIATUIQJ-VIFPVBQESA-N 1 3 200.326 1.271 20 0 BDADHO OCC[NH+]1CCC2(CC1)NCCc1ccccc12 ZINC001237276255 979859791 /nfs/dbraw/zinc/85/97/91/979859791.db2.gz USMUTYGBCFEWHD-UHFFFAOYSA-N 1 3 246.354 1.116 20 0 BDADHO CC(C)(C[NH3+])CC(=O)Nc1ccc2c(c1)CNC2 ZINC001343504197 980133682 /nfs/dbraw/zinc/13/36/82/980133682.db2.gz FQSIOWVAERCKIU-UHFFFAOYSA-N 1 3 247.342 1.603 20 0 BDADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001343714230 980215887 /nfs/dbraw/zinc/21/58/87/980215887.db2.gz LXXPKCSXDQMBNA-QJPTWQEYSA-N 1 3 241.379 1.101 20 0 BDADHO CC[C@@H](C)COC(=O)NCCC[NH2+]CCCN ZINC001239325325 980533484 /nfs/dbraw/zinc/53/34/84/980533484.db2.gz IMQSNIBQSHXRGC-LLVKDONJSA-N 1 3 245.367 1.087 20 0 BDADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001345535729 980627084 /nfs/dbraw/zinc/62/70/84/980627084.db2.gz IKGRBRWHPOLPGR-WDEREUQCSA-N 1 3 241.379 1.008 20 0 BDADHO c1csc(CNC[C@H]2CCC[NH2+]CC2)n1 ZINC001580897212 981733885 /nfs/dbraw/zinc/73/38/85/981733885.db2.gz JZMRJJTUTRGQBL-JTQLQIEISA-N 1 3 225.361 1.622 20 0 BDADHO NCc1ccc(C=C2CC[NH2+]CC2)cn1 ZINC001240878782 981933496 /nfs/dbraw/zinc/93/34/96/981933496.db2.gz YLMDMTSFTOQHKE-UHFFFAOYSA-N 1 3 203.289 1.307 20 0 BDADHO CC1(C)[C@H]([NH2+]C[C@H]2CCOC2)[C@@H]2CCCN[C@@H]21 ZINC001350954662 982135079 /nfs/dbraw/zinc/13/50/79/982135079.db2.gz DUOOWTDSXHDDNR-FVCCEPFGSA-N 1 3 238.375 1.389 20 0 BDADHO Cc1cc(C2=CCN(C)CC2)nc2c1C[NH2+]CC2 ZINC001241308553 982450589 /nfs/dbraw/zinc/45/05/89/982450589.db2.gz UHADIOOIKXWZRH-UHFFFAOYSA-N 1 3 243.354 1.755 20 0 BDADHO [NH3+]Cc1ccc(-c2ccc3c(n2)CNCC3)cc1 ZINC001241910741 983126219 /nfs/dbraw/zinc/12/62/19/983126219.db2.gz FIZCTEOUQTUTBC-UHFFFAOYSA-N 1 3 239.322 1.853 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001354424492 983306759 /nfs/dbraw/zinc/30/67/59/983306759.db2.gz QKHZUYRNMQNLTK-BJDJZHNGSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@H](O)[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001576261772 984157789 /nfs/dbraw/zinc/15/77/89/984157789.db2.gz AXDLPMVBRMZZNJ-CYDGBPFRSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@H](O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@]2(CN)C1 ZINC001576261772 984157805 /nfs/dbraw/zinc/15/78/05/984157805.db2.gz AXDLPMVBRMZZNJ-CYDGBPFRSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@]1(C[NH2+][C@H]2C[C@H](N)C2)CCCS1 ZINC001576526108 984174657 /nfs/dbraw/zinc/17/46/57/984174657.db2.gz NJUUXLOYWZORJL-OPRDCNLKSA-N 1 3 200.351 1.351 20 0 BDADHO C[C@]1(CN[C@H]2C[C@H]([NH3+])C2)CCCS1 ZINC001576526108 984174665 /nfs/dbraw/zinc/17/46/65/984174665.db2.gz NJUUXLOYWZORJL-OPRDCNLKSA-N 1 3 200.351 1.351 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC001578622061 984215667 /nfs/dbraw/zinc/21/56/67/984215667.db2.gz NBJUNBXQTZCYEI-OBJOEFQTSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+]C1CCC2(CSC2)CC1 ZINC001579467380 984280561 /nfs/dbraw/zinc/28/05/61/984280561.db2.gz ACQJHNJEDNLJRO-ZYHUDNBSSA-N 1 3 240.416 1.860 20 0 BDADHO C[NH2+][C@@]12CC[C@@](NCCOC)(C1)CCC2 ZINC001274980210 984432478 /nfs/dbraw/zinc/43/24/78/984432478.db2.gz HEFJRLVWUKHRBO-NWDGAFQWSA-N 1 3 212.337 1.287 20 0 BDADHO CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@@H](C)N)C1 ZINC001577925396 984822536 /nfs/dbraw/zinc/82/25/36/984822536.db2.gz INBBRUQHPQJUSI-XTQFYOIMSA-N 1 3 228.336 1.044 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C2)C12CCCC2 ZINC001578093078 984846570 /nfs/dbraw/zinc/84/65/70/984846570.db2.gz FIHDSEVWTGLEAT-LPWJVIDDSA-N 1 3 238.375 1.804 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](N)C2)C12CCCC2 ZINC001578093078 984846573 /nfs/dbraw/zinc/84/65/73/984846573.db2.gz FIHDSEVWTGLEAT-LPWJVIDDSA-N 1 3 238.375 1.804 20 0 BDADHO CCO[C@@H]1CCC[C@H]1NC[C@@H]1CC[NH2+]C1 ZINC001578151407 984858722 /nfs/dbraw/zinc/85/87/22/984858722.db2.gz IIBKHWBLYNWZPQ-IJLUTSLNSA-N 1 3 212.337 1.143 20 0 BDADHO CN(C)C1(C[NH2+]C[C@@H](N)CCC(C)(C)C)CC1 ZINC001578408839 985045510 /nfs/dbraw/zinc/04/55/10/985045510.db2.gz DDWVKVWCSNLCBS-LBPRGKRZSA-N 1 3 241.423 1.824 20 0 BDADHO CO[C@H]1CCC[N@H+](C[C@]2(C)CCCNC2)CC1 ZINC000691985182 985109790 /nfs/dbraw/zinc/10/97/90/985109790.db2.gz JYAIXOYTKROGDR-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@H]1CCC[N@@H+](C[C@]2(C)CCCNC2)CC1 ZINC000691985182 985109800 /nfs/dbraw/zinc/10/98/00/985109800.db2.gz JYAIXOYTKROGDR-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO COC(CCN1CC[C@@]2(CC[N@H+](C)C2)C1)OC ZINC000686608242 985152035 /nfs/dbraw/zinc/15/20/35/985152035.db2.gz CJJMFAXVELREPS-CYBMUJFWSA-N 1 3 242.363 1.023 20 0 BDADHO COC(CCN1CC[C@@]2(CC[N@@H+](C)C2)C1)OC ZINC000686608242 985152043 /nfs/dbraw/zinc/15/20/43/985152043.db2.gz CJJMFAXVELREPS-CYBMUJFWSA-N 1 3 242.363 1.023 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257673996 985247288 /nfs/dbraw/zinc/24/72/88/985247288.db2.gz PYWXCLASQPTWMP-FRRDWIJNSA-N 1 3 240.416 1.766 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCSC3)C[C@@H]2C1 ZINC001257673996 985247309 /nfs/dbraw/zinc/24/73/09/985247309.db2.gz PYWXCLASQPTWMP-FRRDWIJNSA-N 1 3 240.416 1.766 20 0 BDADHO CO[C@](C)(CO)C[NH2+]C[C@@H](N)CCC(C)(C)C ZINC001578896293 985472838 /nfs/dbraw/zinc/47/28/38/985472838.db2.gz LLFYNPJJYMLLCF-AAEUAGOBSA-N 1 3 246.395 1.127 20 0 BDADHO CO[C@@H](CC(C)C)CN1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC001578900700 985492367 /nfs/dbraw/zinc/49/23/67/985492367.db2.gz KTPHNMKYTQTFIW-RDBSUJKOSA-N 1 3 240.391 1.589 20 0 BDADHO C[C@@H]1COC[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000688022755 985494780 /nfs/dbraw/zinc/49/47/80/985494780.db2.gz GFACLUDVTMQHOG-ZIAGYGMSSA-N 1 3 240.391 1.733 20 0 BDADHO COC1(C[C@H](C)[NH2+][C@H]2C[C@H](N)C2)CCC1 ZINC001578926399 985521769 /nfs/dbraw/zinc/52/17/69/985521769.db2.gz GFRIHAAPJWMIPB-DCAQKATOSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@H](C[NH2+][C@@H]1COC[C@@H]1C)CN1CCCC1 ZINC000688048774 985531402 /nfs/dbraw/zinc/53/14/02/985531402.db2.gz OSCARCIJPOCHAH-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@H](CN[C@@H]1COC[C@@H]1C)C[NH+]1CCCC1 ZINC000688048774 985531427 /nfs/dbraw/zinc/53/14/27/985531427.db2.gz OSCARCIJPOCHAH-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578936458 985546944 /nfs/dbraw/zinc/54/69/44/985546944.db2.gz DIMCNVRSPQIPFT-WISYIIOYSA-N 1 3 212.337 1.413 20 0 BDADHO NCc1ccc(/C=C/C2CC[NH2+]CC2)cn1 ZINC001243895623 985578388 /nfs/dbraw/zinc/57/83/88/985578388.db2.gz FJCABIJAPUTELN-OWOJBTEDSA-N 1 3 217.316 1.553 20 0 BDADHO COC[C@@H](CC(C)C)N[C@H]1C[C@H]([NH3+])C1 ZINC001578961171 985585527 /nfs/dbraw/zinc/58/55/27/985585527.db2.gz VFSXQLSQZRGJAL-GMTAPVOTSA-N 1 3 200.326 1.127 20 0 BDADHO COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CCC1 ZINC001578985309 985611706 /nfs/dbraw/zinc/61/17/06/985611706.db2.gz YCAIPVGOBOOEQL-WOPDTQHZSA-N 1 3 224.348 1.286 20 0 BDADHO COCC[C@H]([NH3+])CN[C@@H]1C[C@H]1C1CCC1 ZINC001579004198 985664479 /nfs/dbraw/zinc/66/44/79/985664479.db2.gz RPCAUNFFBTWQCA-SDDRHHMPSA-N 1 3 212.337 1.128 20 0 BDADHO COCC[C@H](N)C[NH2+]Cc1ccc(OC)cc1 ZINC001579004983 985672415 /nfs/dbraw/zinc/67/24/15/985672415.db2.gz ZEVFKUBYJMPETI-LBPRGKRZSA-N 1 3 238.331 1.149 20 0 BDADHO C[S@](=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC001579354440 985855377 /nfs/dbraw/zinc/85/53/77/985855377.db2.gz CYMZYGPCAKSDDK-WZIZPHDVSA-N 1 3 244.404 1.146 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@@H](C)C1=O ZINC001579440086 985924254 /nfs/dbraw/zinc/92/42/54/985924254.db2.gz OBQCHXDQRLDQRW-IJLUTSLNSA-N 1 3 224.348 1.143 20 0 BDADHO NCc1cc(-c2cccc(OCC[NH3+])c2)ccn1 ZINC001244324276 985953694 /nfs/dbraw/zinc/95/36/94/985953694.db2.gz GPZNAUBRAUVNLZ-UHFFFAOYSA-N 1 3 243.310 1.545 20 0 BDADHO C[C@@]12C[NH2+]C[C@@H]1CN(CCC[C@@H]1CCOC1)C2 ZINC001579474003 985978798 /nfs/dbraw/zinc/97/87/98/985978798.db2.gz UGFYGHBBAKGXDN-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO Cc1cc(CNC2CC3(CC([NH3+])C3)C2)nn1C ZINC001579601745 986121072 /nfs/dbraw/zinc/12/10/72/986121072.db2.gz ZAJMTWKBTBPMBS-UHFFFAOYSA-N 1 3 234.347 1.088 20 0 BDADHO Cc1ccc(C[C@@H](CO)NC2CC([NH3+])C2)cc1C ZINC001579684422 986180122 /nfs/dbraw/zinc/18/01/22/986180122.db2.gz DWGWBASIMONKCB-NRXISQOPSA-N 1 3 248.370 1.286 20 0 BDADHO Cc1ccc(CNC2CC3(CC([NH3+])C3)C2)nn1 ZINC001579696954 986190771 /nfs/dbraw/zinc/19/07/71/986190771.db2.gz OXMVDSAMBPSBOY-UHFFFAOYSA-N 1 3 232.331 1.145 20 0 BDADHO Cc1cccc(C[C@H](C)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001579759530 986206822 /nfs/dbraw/zinc/20/68/22/986206822.db2.gz LXVWQNUVDKTYDH-NWANDNLSSA-N 1 3 248.370 1.096 20 0 BDADHO Cc1cnc(CC[NH2+]CC2(CN)CCC2)c(C)c1 ZINC001579823640 986248061 /nfs/dbraw/zinc/24/80/61/986248061.db2.gz URCSJMIEECVHMN-UHFFFAOYSA-N 1 3 247.386 1.960 20 0 BDADHO Cn1cc([C@@H]2C[C@H]2CN2CCC(C)([NH3+])CC2)cn1 ZINC001579970623 986373238 /nfs/dbraw/zinc/37/32/38/986373238.db2.gz ZLZREIIJYOCAIW-WCQYABFASA-N 1 3 248.374 1.337 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC001580372126 986796924 /nfs/dbraw/zinc/79/69/24/986796924.db2.gz XXUUVJRMFKHIST-GHMZBOCLSA-N 1 3 221.304 1.147 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC001580430423 986848646 /nfs/dbraw/zinc/84/86/46/986848646.db2.gz LSMDBZCQNRSTQO-IJLUTSLNSA-N 1 3 224.348 1.415 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C1CC2(COC2)C1 ZINC001255945470 987077436 /nfs/dbraw/zinc/07/74/36/987077436.db2.gz LBIMLPJSZJZHJU-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO CCCCOC[C@H](O)C[NH2+]CC1(N)CCCC1 ZINC001245972846 987246207 /nfs/dbraw/zinc/24/62/07/987246207.db2.gz FPYPBUWBLLBHGV-GFCCVEGCSA-N 1 3 244.379 1.025 20 0 BDADHO CCCCC[C@H](O)CNC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001245988709 987270278 /nfs/dbraw/zinc/27/02/78/987270278.db2.gz FEZJZPHGIVMINI-MJBXVCDLSA-N 1 3 242.407 1.763 20 0 BDADHO CCCC[C@H](O)CNC[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001245995085 987279105 /nfs/dbraw/zinc/27/91/05/987279105.db2.gz SOZSAEOJKVBVDF-AGIUHOORSA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@@H](O)c1ccccc1 ZINC001246001830 987288014 /nfs/dbraw/zinc/28/80/14/987288014.db2.gz ORTBZSQQSRXCPX-VXGBXAGGSA-N 1 3 208.305 1.047 20 0 BDADHO C[C@H]1COCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000697034795 987346339 /nfs/dbraw/zinc/34/63/39/987346339.db2.gz AHVASPRGOGAOJX-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CCN(C[C@@H]1CCCC[NH2+]C1)[C@H]1CCCOC1 ZINC000697033786 987347032 /nfs/dbraw/zinc/34/70/32/987347032.db2.gz JEGUNDBFYKUQCH-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO Fc1cccc2c1C[C@H](NC1CC[NH2+]CC1)C2 ZINC001246076306 987367980 /nfs/dbraw/zinc/36/79/80/987367980.db2.gz CEBRLTWTJUKNSA-GFCCVEGCSA-N 1 3 234.318 1.635 20 0 BDADHO Fc1cccc2c1C[C@H]([NH2+]C1CCNCC1)C2 ZINC001246076306 987367987 /nfs/dbraw/zinc/36/79/87/987367987.db2.gz CEBRLTWTJUKNSA-GFCCVEGCSA-N 1 3 234.318 1.635 20 0 BDADHO C[C@H]1CC[C@H](NC2C[C@H]3CC(=O)C[C@@H]3C2)C[NH2+]1 ZINC001246079281 987373998 /nfs/dbraw/zinc/37/39/98/987373998.db2.gz JRRSHJGFIZULRQ-BJDJZHNGSA-N 1 3 236.359 1.474 20 0 BDADHO CC[C@H]1C[C@H]([NH2+]C2CCNCC2)CCO1 ZINC001246080557 987378240 /nfs/dbraw/zinc/37/82/40/987378240.db2.gz RKCFQYWMGGUFPH-NEPJUHHUSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1CC[C@H](N[C@@H]2CCO[C@@H](C)C2)C[NH2+]1 ZINC001246087660 987390629 /nfs/dbraw/zinc/39/06/29/987390629.db2.gz ZRWMARUUHFEZHX-YFKTTZPYSA-N 1 3 212.337 1.284 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@H]1CCC[NH2+][C@@H]1C ZINC001246105440 987431837 /nfs/dbraw/zinc/43/18/37/987431837.db2.gz AZKUYEVEEQCBLT-QJPTWQEYSA-N 1 3 242.363 1.306 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@H]1C ZINC001246140150 987497381 /nfs/dbraw/zinc/49/73/81/987497381.db2.gz ZFZFCYXPTUHIIO-FAYOZSNISA-N 1 3 238.375 1.388 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCn2cccc2)CCN1 ZINC001246174461 987544064 /nfs/dbraw/zinc/54/40/64/987544064.db2.gz QKTGAOMMLBVJDJ-NEPJUHHUSA-N 1 3 207.321 1.218 20 0 BDADHO C[C@@H]1C[C@@H](NCCn2cccc2)CC[NH2+]1 ZINC001246174461 987544066 /nfs/dbraw/zinc/54/40/66/987544066.db2.gz QKTGAOMMLBVJDJ-NEPJUHHUSA-N 1 3 207.321 1.218 20 0 BDADHO CC(C)(CCO)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246194325 987585399 /nfs/dbraw/zinc/58/53/99/987585399.db2.gz RJAAQFDBLODNLF-ZACCUICWSA-N 1 3 212.337 1.020 20 0 BDADHO COC(=O)CCCCC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246203002 987600694 /nfs/dbraw/zinc/60/06/94/987600694.db2.gz UXAPPCVZCYRNEK-NWDGAFQWSA-N 1 3 242.363 1.450 20 0 BDADHO COC(=O)CC[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001246204253 987600726 /nfs/dbraw/zinc/60/07/26/987600726.db2.gz HLJFMKDOERWAOC-GMTAPVOTSA-N 1 3 228.336 1.188 20 0 BDADHO NCc1ccc2c(n1)N([C@@H]1CCC[NH2+]C1)CCC2 ZINC001246266133 987662317 /nfs/dbraw/zinc/66/23/17/987662317.db2.gz WEAMTJSJOODWOM-CYBMUJFWSA-N 1 3 246.358 1.045 20 0 BDADHO COc1ccc(CCN[C@H]2CC[NH2+][C@H](C)C2)nc1 ZINC001246274672 987670205 /nfs/dbraw/zinc/67/02/05/987670205.db2.gz ZPYOSCSOJXVKAZ-YPMHNXCESA-N 1 3 249.358 1.363 20 0 BDADHO Oc1ccc2c(c1)C[C@@H]([NH2+]C1CCNCC1)CC2 ZINC001246312989 987715489 /nfs/dbraw/zinc/71/54/89/987715489.db2.gz XLBSYEIXBOFFNE-AWEZNQCLSA-N 1 3 246.354 1.591 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001246312091 987716711 /nfs/dbraw/zinc/71/67/11/987716711.db2.gz FPOGXOITVCTBDU-GARJFASQSA-N 1 3 228.336 1.045 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C2CCC(CCO)CC2)CCN1 ZINC001246331397 987739479 /nfs/dbraw/zinc/73/94/79/987739479.db2.gz BGIZMALTCRKZCU-ABXWRUBCSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H](C)C2)CCN1 ZINC001246395416 987783119 /nfs/dbraw/zinc/78/31/19/987783119.db2.gz MGJWVRZSRZLTNS-WISYIIOYSA-N 1 3 212.337 1.284 20 0 BDADHO CCC1([NH2+][C@@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246441249 987791692 /nfs/dbraw/zinc/79/16/92/987791692.db2.gz LOQYJJRYHNJYOR-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO Cc1cccnc1C1(CNC2CC[NH2+]CC2)CC1 ZINC001246438885 987797729 /nfs/dbraw/zinc/79/77/29/987797729.db2.gz KERTXGWBNPIJQL-UHFFFAOYSA-N 1 3 245.370 1.763 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246442126 987799117 /nfs/dbraw/zinc/79/91/17/987799117.db2.gz BZNMBOOWERXKTE-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)CCC[C@@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246442126 987799123 /nfs/dbraw/zinc/79/91/23/987799123.db2.gz BZNMBOOWERXKTE-MNOVXSKESA-N 1 3 240.347 1.060 20 0 BDADHO C[C@H]1CC([NH2+][C@H]2CC23CNC3)C[C@H](C)C1 ZINC001246445556 987803431 /nfs/dbraw/zinc/80/34/31/987803431.db2.gz PAJNUHBTPZNBEY-FOGDFJRCSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H]1C[C@@H](NC2(Cc3cccnc3)CC2)CC[NH2+]1 ZINC001246447726 987804670 /nfs/dbraw/zinc/80/46/70/987804670.db2.gz QVBFWWDGNCLBRL-OCCSQVGLSA-N 1 3 245.370 1.887 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473964 987832701 /nfs/dbraw/zinc/83/27/01/987832701.db2.gz LVNSLLKIEGINQL-UPJWGTAASA-N 1 3 245.370 1.926 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CNc3ccccc32)CCN1 ZINC001246473964 987832705 /nfs/dbraw/zinc/83/27/05/987832705.db2.gz LVNSLLKIEGINQL-UPJWGTAASA-N 1 3 245.370 1.926 20 0 BDADHO N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001246477760 987833557 /nfs/dbraw/zinc/83/35/57/987833557.db2.gz KPSYZNZPXAMYEL-MCIONIFRSA-N 1 3 237.391 1.330 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCCO1 ZINC001246522578 987871485 /nfs/dbraw/zinc/87/14/85/987871485.db2.gz DEOYSYIDAHYXJM-YFKTTZPYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)[C@@H]1CCCO1 ZINC001246522578 987871487 /nfs/dbraw/zinc/87/14/87/987871487.db2.gz DEOYSYIDAHYXJM-YFKTTZPYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246548389 987934654 /nfs/dbraw/zinc/93/46/54/987934654.db2.gz TVLOEZJUKZTTEZ-IJLUTSLNSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246548389 987934643 /nfs/dbraw/zinc/93/46/43/987934643.db2.gz TVLOEZJUKZTTEZ-IJLUTSLNSA-N 1 3 212.337 1.367 20 0 BDADHO Cc1csc(CCCN[C@H]2CCC[C@@H]2[NH3+])n1 ZINC001118058575 987997565 /nfs/dbraw/zinc/99/75/65/987997565.db2.gz LBHOLPKSIKQIRM-QWRGUYRKSA-N 1 3 239.388 1.854 20 0 BDADHO Cc1csc(CCCN[C@H]2CCC[C@H]2[NH3+])n1 ZINC001118058574 987999961 /nfs/dbraw/zinc/99/99/61/987999961.db2.gz LBHOLPKSIKQIRM-MNOVXSKESA-N 1 3 239.388 1.854 20 0 BDADHO C[C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@]1(C)O ZINC001246563507 988001620 /nfs/dbraw/zinc/00/16/20/988001620.db2.gz KDZALIZDBDKMON-YIPFDTCYSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](O)[C@H](C)C2)CCN1 ZINC001246571267 988061364 /nfs/dbraw/zinc/06/13/64/988061364.db2.gz ASHPNBXEESDEFI-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](O)[C@H](C)C2)CCN1 ZINC001246571267 988061380 /nfs/dbraw/zinc/06/13/80/988061380.db2.gz ASHPNBXEESDEFI-FDYHWXHSSA-N 1 3 226.364 1.220 20 0 BDADHO O[C@H]1CCCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246574832 988077940 /nfs/dbraw/zinc/07/79/40/988077940.db2.gz LCOFCLGNVKERDW-HNGCFSAESA-N 1 3 224.348 1.116 20 0 BDADHO C[NH2+][C@H](C)CCNC(=O)c1ccc2c(c1)CNC2 ZINC001118204427 988103393 /nfs/dbraw/zinc/10/33/93/988103393.db2.gz BNYCQJXSAMCPRQ-SNVBAGLBSA-N 1 3 247.342 1.018 20 0 BDADHO COC(=O)CC[C@@H](C)N1CCCC[C@H](C[NH3+])C1 ZINC001246581978 988107702 /nfs/dbraw/zinc/10/77/02/988107702.db2.gz LTLJAXORMFMKDI-VXGBXAGGSA-N 1 3 242.363 1.389 20 0 BDADHO CC(C)CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581224 988109502 /nfs/dbraw/zinc/10/95/02/988109502.db2.gz ROHJQCLRVVRJRT-RWMBFGLXSA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)CCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246581224 988109517 /nfs/dbraw/zinc/10/95/17/988109517.db2.gz ROHJQCLRVVRJRT-RWMBFGLXSA-N 1 3 228.380 1.453 20 0 BDADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246583837 988127119 /nfs/dbraw/zinc/12/71/19/988127119.db2.gz LBKOUFCQXWAAIJ-LBELIVKGSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246583837 988127139 /nfs/dbraw/zinc/12/71/39/988127139.db2.gz LBKOUFCQXWAAIJ-LBELIVKGSA-N 1 3 226.364 1.063 20 0 BDADHO CCC1CCC([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246587606 988141649 /nfs/dbraw/zinc/14/16/49/988141649.db2.gz VDURRWJFGYBKBL-PYNQCMFNSA-N 1 3 226.364 1.207 20 0 BDADHO CCC1CCC([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246587606 988141661 /nfs/dbraw/zinc/14/16/61/988141661.db2.gz VDURRWJFGYBKBL-PYNQCMFNSA-N 1 3 226.364 1.207 20 0 BDADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586561 988142072 /nfs/dbraw/zinc/14/20/72/988142072.db2.gz RGSBJDUSWQZTGG-WUHRBBMRSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)CC(C)(C)C1 ZINC001246586561 988142082 /nfs/dbraw/zinc/14/20/82/988142082.db2.gz RGSBJDUSWQZTGG-WUHRBBMRSA-N 1 3 240.391 1.453 20 0 BDADHO C[C@@H]1C[C@H](N2CCC[C@@](F)(CO)CC2)CC[NH2+]1 ZINC001246587712 988142481 /nfs/dbraw/zinc/14/24/81/988142481.db2.gz IMNLFICENMEXTP-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](F)(CO)CC2)CCN1 ZINC001246587712 988142488 /nfs/dbraw/zinc/14/24/88/988142488.db2.gz IMNLFICENMEXTP-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@](F)(CO)CC2)CCN1 ZINC001246587712 988142496 /nfs/dbraw/zinc/14/24/96/988142496.db2.gz IMNLFICENMEXTP-UPJWGTAASA-N 1 3 244.354 1.313 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CCN1 ZINC001246593022 988178471 /nfs/dbraw/zinc/17/84/71/988178471.db2.gz RJPDQIQJFHSFCG-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@](C)(O)C2)CCN1 ZINC001246593022 988178478 /nfs/dbraw/zinc/17/84/78/988178478.db2.gz RJPDQIQJFHSFCG-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609690 988230627 /nfs/dbraw/zinc/23/06/27/988230627.db2.gz MSMAHNJHACJBHL-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCCNC3)CCO1 ZINC001246609690 988230645 /nfs/dbraw/zinc/23/06/45/988230645.db2.gz MSMAHNJHACJBHL-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H](N2CCC[C@@]23CCC[NH2+]C3)CCO1 ZINC001246609690 988230672 /nfs/dbraw/zinc/23/06/72/988230672.db2.gz MSMAHNJHACJBHL-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C1C[C@@H]2[C@@H](CCN2C2C[C@H]3CC[C@@H](C2)O3)[NH2+]1 ZINC001246641858 988352174 /nfs/dbraw/zinc/35/21/74/988352174.db2.gz YOVCHTREFHMLEA-ZLOUSURVSA-N 1 3 222.332 1.133 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)CCN1 ZINC001246645506 988366268 /nfs/dbraw/zinc/36/62/68/988366268.db2.gz BSJWYXHYNVWVKC-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@]3(CCOC3)C2)CCN1 ZINC001246645506 988366273 /nfs/dbraw/zinc/36/62/73/988366273.db2.gz BSJWYXHYNVWVKC-MCIONIFRSA-N 1 3 238.375 1.629 20 0 BDADHO c1ccc(C[C@H]2CCCN2C2CC[NH2+]CC2)nc1 ZINC001246802099 988483532 /nfs/dbraw/zinc/48/35/32/988483532.db2.gz JFVTVZAIHPCIFO-OAHLLOKOSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(C[C@H]2CCC[N@@H+]2C2CCNCC2)nc1 ZINC001246802099 988483536 /nfs/dbraw/zinc/48/35/36/988483536.db2.gz JFVTVZAIHPCIFO-OAHLLOKOSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc(C[C@H]2CCC[N@H+]2C2CCNCC2)nc1 ZINC001246802099 988483543 /nfs/dbraw/zinc/48/35/43/988483543.db2.gz JFVTVZAIHPCIFO-OAHLLOKOSA-N 1 3 245.370 1.841 20 0 BDADHO c1ccc([C@@H]2CN(C3CC[NH2+]CC3)CCN2)cc1 ZINC001246825944 988517837 /nfs/dbraw/zinc/51/78/37/988517837.db2.gz JSPBKIYGFKTRMA-HNNXBMFYSA-N 1 3 245.370 1.385 20 0 BDADHO C[C@@H]1C[C@H](N2CCC(C(N)=S)CC2)CC[NH2+]1 ZINC001246901143 988667018 /nfs/dbraw/zinc/66/70/18/988667018.db2.gz ZBLMNLMGZCPRMK-MWLCHTKSSA-N 1 3 241.404 1.125 20 0 BDADHO C[C@@H]1C[C@H]([NH+]2CCC(C(N)=S)CC2)CCN1 ZINC001246901143 988667030 /nfs/dbraw/zinc/66/70/30/988667030.db2.gz ZBLMNLMGZCPRMK-MWLCHTKSSA-N 1 3 241.404 1.125 20 0 BDADHO CCN(CCn1ccnc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246917493 988714618 /nfs/dbraw/zinc/71/46/18/988714618.db2.gz DFHBZHXNUOZRIU-OLZOCXBDSA-N 1 3 236.363 1.346 20 0 BDADHO CC(C)COCC[C@@H](C)N1CCC[C@@H]1C[NH3+] ZINC001246918058 988716439 /nfs/dbraw/zinc/71/64/39/988716439.db2.gz TXBVFHLPVSMXBP-CHWSQXEVSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]1CC(N2CCNC3=CCCC[C@@H]32)C[C@@H](C)[NH2+]1 ZINC001246991362 988825829 /nfs/dbraw/zinc/82/58/29/988825829.db2.gz ANGIPIQPWGXBFU-JMSVASOKSA-N 1 3 249.402 1.857 20 0 BDADHO FCCN1CCCC2(CC[NH2+]CC2)C1 ZINC001326311252 989480121 /nfs/dbraw/zinc/48/01/21/989480121.db2.gz SRLONWMDLCUXQW-UHFFFAOYSA-N 1 3 200.301 1.422 20 0 BDADHO CC[C@H](O)CNCCC[N@H+](C)CC(C)C ZINC001120503596 989685491 /nfs/dbraw/zinc/68/54/91/989685491.db2.gz URCZBYGNCJEFPK-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO CC[C@H](O)CNCCC[N@@H+](C)CC(C)C ZINC001120503596 989685494 /nfs/dbraw/zinc/68/54/94/989685494.db2.gz URCZBYGNCJEFPK-LBPRGKRZSA-N 1 3 216.369 1.325 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC001521540643 989738348 /nfs/dbraw/zinc/73/83/48/989738348.db2.gz JJGIIIYLTKWJLQ-SRVKXCTJSA-N 1 3 243.395 1.384 20 0 BDADHO c1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccn1 ZINC001120784777 989880213 /nfs/dbraw/zinc/88/02/13/989880213.db2.gz UWRLELQKNJZERN-UONOGXRCSA-N 1 3 231.343 1.932 20 0 BDADHO c1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccn1 ZINC001120784777 989880215 /nfs/dbraw/zinc/88/02/15/989880215.db2.gz UWRLELQKNJZERN-UONOGXRCSA-N 1 3 231.343 1.932 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001121985971 990168680 /nfs/dbraw/zinc/16/86/80/990168680.db2.gz FEFOFXYIDJMSSF-HBNTYKKESA-N 1 3 243.395 1.240 20 0 BDADHO CSCC[C@@H](C)N1CCN(CCC[NH3+])CC1 ZINC001258205548 991123340 /nfs/dbraw/zinc/12/33/40/991123340.db2.gz JQBWENMXMWYTLI-GFCCVEGCSA-N 1 3 245.436 1.094 20 0 BDADHO CCC1(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)COC1 ZINC001202965244 991345124 /nfs/dbraw/zinc/34/51/24/991345124.db2.gz XHYZWMPMERZPPU-TZMCWYRMSA-N 1 3 238.375 1.297 20 0 BDADHO Cc1ccc(CN2CCC3(C[NH+](C)C3)CC2)cn1 ZINC001139933209 991423609 /nfs/dbraw/zinc/42/36/09/991423609.db2.gz OUFUHSDOBHOPLK-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO Cc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)cn1 ZINC001139933209 991423613 /nfs/dbraw/zinc/42/36/13/991423613.db2.gz OUFUHSDOBHOPLK-UHFFFAOYSA-N 1 3 245.370 1.918 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@H+](CCCN)C(C)C ZINC001258475556 991451286 /nfs/dbraw/zinc/45/12/86/991451286.db2.gz IRMNQNHWBWSCSS-LBPRGKRZSA-N 1 3 244.379 1.777 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@@H+](CCCN)C(C)C ZINC001258475556 991451292 /nfs/dbraw/zinc/45/12/92/991451292.db2.gz IRMNQNHWBWSCSS-LBPRGKRZSA-N 1 3 244.379 1.777 20 0 BDADHO CCOC(=O)CC[C@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001258484669 991454579 /nfs/dbraw/zinc/45/45/79/991454579.db2.gz WIBACVUIDQQWAH-QWRGUYRKSA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@H+](C)C[C@@H](C)CN ZINC001258484669 991454582 /nfs/dbraw/zinc/45/45/82/991454582.db2.gz WIBACVUIDQQWAH-QWRGUYRKSA-N 1 3 230.352 1.245 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001258484669 991454586 /nfs/dbraw/zinc/45/45/86/991454586.db2.gz WIBACVUIDQQWAH-QWRGUYRKSA-N 1 3 230.352 1.245 20 0 BDADHO CO[C@H](C)CNCC[C@@H](C)[NH+]1CCCCC1 ZINC001560750956 991587460 /nfs/dbraw/zinc/58/74/60/991587460.db2.gz MJGXLYIAFAYWEZ-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CO[C@H](C)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001560750956 991587469 /nfs/dbraw/zinc/58/74/69/991587469.db2.gz MJGXLYIAFAYWEZ-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001567512039 992053777 /nfs/dbraw/zinc/05/37/77/992053777.db2.gz RXURGROCHZUYQY-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)C(C)C ZINC001568466760 992170856 /nfs/dbraw/zinc/17/08/56/992170856.db2.gz GMIBYPWKYSHQFU-RYUDHWBXSA-N 1 3 243.395 1.077 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001261515285 992363504 /nfs/dbraw/zinc/36/35/04/992363504.db2.gz BORFXDWHWWVHNN-MCIONIFRSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001261515285 992363516 /nfs/dbraw/zinc/36/35/16/992363516.db2.gz BORFXDWHWWVHNN-MCIONIFRSA-N 1 3 240.391 1.469 20 0 BDADHO CCOC1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001474756857 992519247 /nfs/dbraw/zinc/51/92/47/992519247.db2.gz MYCSBRKICAPAEC-UUFIZFKYSA-N 1 3 238.375 1.484 20 0 BDADHO CC(C)[C@H](CO)[C@@H]([NH2+][C@@H]1CCNC1)C(C)C ZINC001573490779 992618722 /nfs/dbraw/zinc/61/87/22/992618722.db2.gz DJIOJBOVCOAOOI-AGIUHOORSA-N 1 3 228.380 1.227 20 0 BDADHO C([NH2+][C@H]1C[C@H]2CC[C@@H]1N2)[C@H]1CCSC1 ZINC001574774945 992900958 /nfs/dbraw/zinc/90/09/58/992900958.db2.gz QOMZIOQRLFLSRN-ZNSHCXBVSA-N 1 3 212.362 1.222 20 0 BDADHO C1CC2(C1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1N3)CCO2 ZINC001574795952 992909532 /nfs/dbraw/zinc/90/95/32/992909532.db2.gz QXQFGDJLUMWRFN-FVCCEPFGSA-N 1 3 236.359 1.571 20 0 BDADHO O[C@@H](CNCCC[NH+]1CCCCCC1)C1CC1 ZINC001262558150 992910589 /nfs/dbraw/zinc/91/05/89/992910589.db2.gz WQHOIIJUKZUKBI-AWEZNQCLSA-N 1 3 240.391 1.613 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@H]([S@](C)=O)C1 ZINC001575423078 993041832 /nfs/dbraw/zinc/04/18/32/993041832.db2.gz OROZVAWEIIBOFU-YMEQNVIZSA-N 1 3 246.420 1.107 20 0 BDADHO CC(C)[C@H](CN)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC001575423329 993042280 /nfs/dbraw/zinc/04/22/80/993042280.db2.gz SASUGIDHIIUFRN-VXGBXAGGSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@H](CN)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC001575423329 993042285 /nfs/dbraw/zinc/04/22/85/993042285.db2.gz SASUGIDHIIUFRN-VXGBXAGGSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@H](C[NH3+])CN1C[C@H](O)CC(C)(C)C1 ZINC001575423329 993042290 /nfs/dbraw/zinc/04/22/90/993042290.db2.gz SASUGIDHIIUFRN-VXGBXAGGSA-N 1 3 228.380 1.310 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](N)C2)CCO1 ZINC001575497669 993056829 /nfs/dbraw/zinc/05/68/29/993056829.db2.gz GCGPTAKFVQPYGX-YFKTTZPYSA-N 1 3 212.337 1.269 20 0 BDADHO CC(C)C[C@@H](O)CNC[C@@H]([NH3+])CC(F)(F)F ZINC001575548881 993068132 /nfs/dbraw/zinc/06/81/32/993068132.db2.gz CIMFNGZRUPGAAA-DTWKUNHWSA-N 1 3 242.285 1.263 20 0 BDADHO CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC001575618256 993084774 /nfs/dbraw/zinc/08/47/74/993084774.db2.gz BVECIAUFGMRPDE-AXFHLTTASA-N 1 3 214.353 1.109 20 0 BDADHO C[NH2+]CCCCC(=O)Nc1ccc2c(c1)CNC2 ZINC001263109540 993121407 /nfs/dbraw/zinc/12/14/07/993121407.db2.gz AHTHYDYKFCQTEB-UHFFFAOYSA-N 1 3 247.342 1.618 20 0 BDADHO C[C@@H](CN)[N@H+](C)C[C@]1(C)CCCCO1 ZINC001576004218 993153268 /nfs/dbraw/zinc/15/32/68/993153268.db2.gz AKKFZZXDSJCTAB-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO C[C@@H](CN)[N@@H+](C)C[C@]1(C)CCCCO1 ZINC001576004218 993153276 /nfs/dbraw/zinc/15/32/76/993153276.db2.gz AKKFZZXDSJCTAB-QWRGUYRKSA-N 1 3 200.326 1.225 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001263257195 993192755 /nfs/dbraw/zinc/19/27/55/993192755.db2.gz OIVYEAGJOWYVDR-LLVKDONJSA-N 1 3 235.331 1.556 20 0 BDADHO CC(C)N1CC([NH2+][C@@H]2CCCN(C)CC2)C1 ZINC000379228581 993232109 /nfs/dbraw/zinc/23/21/09/993232109.db2.gz YCEZQBIENSGRNM-GFCCVEGCSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@](O)(CN)C[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260358 993238012 /nfs/dbraw/zinc/23/80/12/993238012.db2.gz UUILHKGNCJJZCU-ZUWCUPBKSA-N 1 3 238.375 1.064 20 0 BDADHO C[C@](O)(CN)C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001576260358 993238020 /nfs/dbraw/zinc/23/80/20/993238020.db2.gz UUILHKGNCJJZCU-ZUWCUPBKSA-N 1 3 238.375 1.064 20 0 BDADHO C[C@H](O)C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576263227 993241723 /nfs/dbraw/zinc/24/17/23/993241723.db2.gz GTTNGOBZXUWWMM-WSMDXJOWSA-N 1 3 226.364 1.266 20 0 BDADHO C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC001576273412 993251886 /nfs/dbraw/zinc/25/18/86/993251886.db2.gz VCQZCABLUQSLFG-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC001576273412 993251894 /nfs/dbraw/zinc/25/18/94/993251894.db2.gz VCQZCABLUQSLFG-UPJWGTAASA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOCC1CCC1 ZINC001576380733 993287036 /nfs/dbraw/zinc/28/70/36/993287036.db2.gz XQSKDHXKFODOOA-NEPJUHHUSA-N 1 3 226.364 1.519 20 0 BDADHO CC1(C)CCC[C@H](CNC[C@@H]2CCC[NH2+]C2)O1 ZINC001576426509 993299170 /nfs/dbraw/zinc/29/91/70/993299170.db2.gz JQMIMJQQVRPNTR-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO CC1CC(C[N@@H+]2CCC23CCNCC3)C1 ZINC001576599511 993362798 /nfs/dbraw/zinc/36/27/98/993362798.db2.gz SFSZVNSYNQZBND-UHFFFAOYSA-N 1 3 208.349 1.860 20 0 BDADHO CC1CC(C[N@H+]2CCC23CCNCC3)C1 ZINC001576599511 993362803 /nfs/dbraw/zinc/36/28/03/993362803.db2.gz SFSZVNSYNQZBND-UHFFFAOYSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CCO[C@@H](C)C2)C[C@H]1[NH3+] ZINC001576599094 993363016 /nfs/dbraw/zinc/36/30/16/993363016.db2.gz RAIPXGCLAPLHOI-WRWGMCAJSA-N 1 3 212.337 1.081 20 0 BDADHO COC1(C)CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 ZINC000381089650 993368196 /nfs/dbraw/zinc/36/81/96/993368196.db2.gz USXPBUOLJIPYSE-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO COC1(C)CCN([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000381089650 993368201 /nfs/dbraw/zinc/36/82/01/993368201.db2.gz USXPBUOLJIPYSE-NEPJUHHUSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@H]1CCN(Cc2cc[nH]c(=O)c2)C[C@H]1C[NH3+] ZINC001576734690 993411530 /nfs/dbraw/zinc/41/15/30/993411530.db2.gz IMWREGDFBSVYRY-CMPLNLGQSA-N 1 3 235.331 1.204 20 0 BDADHO C[N@@H+]1CCC[C@@H](NCCOC(F)(F)F)CC1 ZINC000381742479 993421136 /nfs/dbraw/zinc/42/11/36/993421136.db2.gz PFGYZBOTQXBJRV-SECBINFHSA-N 1 3 240.269 1.597 20 0 BDADHO C[N@H+]1CCC[C@@H](NCCOC(F)(F)F)CC1 ZINC000381742479 993421144 /nfs/dbraw/zinc/42/11/44/993421144.db2.gz PFGYZBOTQXBJRV-SECBINFHSA-N 1 3 240.269 1.597 20 0 BDADHO CC[C@H](C)[C@@](C)(O)CNC[C@H]([NH3+])CC(F)F ZINC001576962643 993466607 /nfs/dbraw/zinc/46/66/07/993466607.db2.gz UIRKZQRYMYPEEP-NGZCFLSTSA-N 1 3 238.322 1.356 20 0 BDADHO CC[C@H](C)[C@](C)(O)CNC[C@H]([NH3+])CC(F)F ZINC001576962642 993468336 /nfs/dbraw/zinc/46/83/36/993468336.db2.gz UIRKZQRYMYPEEP-IQJOONFLSA-N 1 3 238.322 1.356 20 0 BDADHO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC001576969361 993472715 /nfs/dbraw/zinc/47/27/15/993472715.db2.gz BJFUVWAGQMVUBF-RNJOBUHISA-N 1 3 240.391 1.643 20 0 BDADHO CCC(CC)(C[NH3+])CN1CC2(C1)CCOC2 ZINC001577051531 993490430 /nfs/dbraw/zinc/49/04/30/993490430.db2.gz TYRYGVZTMDFTIS-UHFFFAOYSA-N 1 3 226.364 1.474 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001577401009 993644165 /nfs/dbraw/zinc/64/41/65/993644165.db2.gz UCGXZDSPRSZEHD-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001577401009 993644171 /nfs/dbraw/zinc/64/41/71/993644171.db2.gz UCGXZDSPRSZEHD-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CCCN(CC[NH+](CC)CC)C(=O)[C@@H](N)CC ZINC001577519731 993674571 /nfs/dbraw/zinc/67/45/71/993674571.db2.gz UIKATUBWRHYCGU-LBPRGKRZSA-N 1 3 243.395 1.304 20 0 BDADHO CSCC[C@H](C)N1CCC[C@H]1C[NH3+] ZINC000388452897 993732005 /nfs/dbraw/zinc/73/20/05/993732005.db2.gz RCOQGGBONMFGDU-UWVGGRQHSA-N 1 3 202.367 1.551 20 0 BDADHO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCN(C)CC2)C1 ZINC000389315890 993744828 /nfs/dbraw/zinc/74/48/28/993744828.db2.gz GPGNUTHYGYRUCU-ZIAGYGMSSA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@@H]1CCCN1C[C@@H](O)C[NH+](CC)CC ZINC000390599913 993799083 /nfs/dbraw/zinc/79/90/83/993799083.db2.gz VQKCXHLYTQBIQH-OLZOCXBDSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC001336854546 995110729 /nfs/dbraw/zinc/11/07/29/995110729.db2.gz OCHQTIUDXFXPLB-XHJNMGKDSA-N 1 3 238.375 1.077 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+]Cc1cnn2ccccc12 ZINC000071373291 398148119 /nfs/dbraw/zinc/14/81/19/398148119.db2.gz GHXSUOAMCOMZTO-LBPRGKRZSA-N 1 3 246.358 1.764 20 0 BDADHO COCC1CCC([NH2+][C@@H](C)[C@@H]2CCCN2)CC1 ZINC000423174716 398164645 /nfs/dbraw/zinc/16/46/45/398164645.db2.gz COGSEAOSONJHTO-ABXWRUBCSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOC(F)(F)F)C1 ZINC000398248610 398195653 /nfs/dbraw/zinc/19/56/53/398195653.db2.gz KCSUACYPUOLXSB-JGVFFNPUSA-N 1 3 226.242 1.382 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](NCCOC(F)(F)F)C1 ZINC000398248609 398195808 /nfs/dbraw/zinc/19/58/08/398195808.db2.gz KCSUACYPUOLXSB-HTQZYQBOSA-N 1 3 226.242 1.382 20 0 BDADHO Cn1cc(CC[N@H+](C2CC2)C2CCNCC2)cn1 ZINC000649409005 398208378 /nfs/dbraw/zinc/20/83/78/398208378.db2.gz VNHBLXUBHVMVFI-UHFFFAOYSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cc(CC[N@@H+](C2CC2)C2CCNCC2)cn1 ZINC000649409005 398208385 /nfs/dbraw/zinc/20/83/85/398208385.db2.gz VNHBLXUBHVMVFI-UHFFFAOYSA-N 1 3 248.374 1.179 20 0 BDADHO CCc1cnc(CN[C@@H](C)CCC[NH3+])s1 ZINC000336717571 398214131 /nfs/dbraw/zinc/21/41/31/398214131.db2.gz XZVGKDVVXOTCPL-VIFPVBQESA-N 1 3 227.377 1.923 20 0 BDADHO Cc1cc(NCCN2CCCOCC2)cc[nH+]1 ZINC000276727844 178161766 /nfs/dbraw/zinc/16/17/66/178161766.db2.gz LADXFZUNEYINAB-UHFFFAOYSA-N 1 3 235.331 1.524 20 0 BDADHO Cc1cc(C)n(CCN2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000386834580 398221024 /nfs/dbraw/zinc/22/10/24/398221024.db2.gz WOUCKRLHLWSFTN-AAEUAGOBSA-N 1 3 236.363 1.169 20 0 BDADHO CCC(CC)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336712882 168352687 /nfs/dbraw/zinc/35/26/87/168352687.db2.gz RAHMDCOBESIWKX-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CC[C@@H](COC)NC1CC[NH+](CC2CC2)CC1 ZINC000165619301 538936207 /nfs/dbraw/zinc/93/62/07/538936207.db2.gz KEMPFTCBNPYIFX-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1ncc(C[NH2+]C[C@H]2CCCN(C)C2)cn1 ZINC000521337784 259305849 /nfs/dbraw/zinc/30/58/49/259305849.db2.gz HZJQOZHMVPDKQN-GFCCVEGCSA-N 1 3 234.347 1.216 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc2c(c1)OCO2 ZINC000258932398 349536059 /nfs/dbraw/zinc/53/60/59/349536059.db2.gz JMTVLQXHCVUPTQ-RYUDHWBXSA-N 1 3 248.326 1.427 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@H](CO)Cc1ccccc1 ZINC000089150659 259308257 /nfs/dbraw/zinc/30/82/57/259308257.db2.gz AFJDUXITULVNIY-QLFBSQMISA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000089150659 259308259 /nfs/dbraw/zinc/30/82/59/259308259.db2.gz AFJDUXITULVNIY-QLFBSQMISA-N 1 3 248.370 1.307 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1 ZINC000381168022 398252516 /nfs/dbraw/zinc/25/25/16/398252516.db2.gz SUMHOQSWQVGLOW-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(CN(C)C)cc1 ZINC000576701956 365663357 /nfs/dbraw/zinc/66/33/57/365663357.db2.gz QBMVRXWMDZHMNN-MNOVXSKESA-N 1 3 249.358 1.214 20 0 BDADHO N[C@@H]1Cc2ccccc2N(C(=O)CCCC[NH3+])C1 ZINC000576705974 365665443 /nfs/dbraw/zinc/66/54/43/365665443.db2.gz XKKGMCGMHAQPGU-GFCCVEGCSA-N 1 3 247.342 1.032 20 0 BDADHO C[C@H]([NH2+]C1CCC(CO)CC1)[C@@H]1CCCN1 ZINC000400696179 398267310 /nfs/dbraw/zinc/26/73/10/398267310.db2.gz JCMPIHOPPVFZLQ-WTIISPKJSA-N 1 3 226.364 1.268 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000180095024 538957675 /nfs/dbraw/zinc/95/76/75/538957675.db2.gz VJEMVTGJPKFKFR-CMPLNLGQSA-N 1 3 248.374 1.853 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2)CCN1C ZINC000129732054 323009251 /nfs/dbraw/zinc/00/92/51/323009251.db2.gz NWNMNMZTWHLIBD-OLZOCXBDSA-N 1 3 225.380 1.155 20 0 BDADHO COC[C@H](C)CNCC[C@H]1CCC[NH2+]1 ZINC000580289579 346857696 /nfs/dbraw/zinc/85/76/96/346857696.db2.gz KZKOPZXZEJFRBG-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H](CO)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678044665 488179512 /nfs/dbraw/zinc/17/95/12/488179512.db2.gz RKGFBIOCJDOXAH-OLZOCXBDSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H](CO)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678044665 488179516 /nfs/dbraw/zinc/17/95/16/488179516.db2.gz RKGFBIOCJDOXAH-OLZOCXBDSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H](CO)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000678044665 488179519 /nfs/dbraw/zinc/17/95/19/488179519.db2.gz RKGFBIOCJDOXAH-OLZOCXBDSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H](CC[NH2+]C1CSC1)N1CCCCC1 ZINC000380237539 538987458 /nfs/dbraw/zinc/98/74/58/538987458.db2.gz MSCYDUAXZWJVCS-NSHDSACASA-N 1 3 228.405 1.956 20 0 BDADHO CCc1ccccc1[C@@H](N)CNC(=O)CCC[NH3+] ZINC000417823829 398294439 /nfs/dbraw/zinc/29/44/39/398294439.db2.gz AOKKBULVYAVRLZ-ZDUSSCGKSA-N 1 3 249.358 1.104 20 0 BDADHO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)CCN(C)C ZINC000381130246 538995356 /nfs/dbraw/zinc/99/53/56/538995356.db2.gz KMGLSHQXLUEPMS-UWVGGRQHSA-N 1 3 224.352 1.709 20 0 BDADHO CN1CC[C@H](NC2C[NH2+]C2)C[C@H]1c1ccccc1 ZINC000335626076 136240816 /nfs/dbraw/zinc/24/08/16/136240816.db2.gz XDYWCVFTUKMIKG-ZFWWWQNUSA-N 1 3 245.370 1.383 20 0 BDADHO CC(C)[C@@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000390292016 539021233 /nfs/dbraw/zinc/02/12/33/539021233.db2.gz ZBPVLEFVXVJFIG-CYBMUJFWSA-N 1 3 228.380 1.589 20 0 BDADHO Cn1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335634079 136241506 /nfs/dbraw/zinc/24/15/06/136241506.db2.gz MBAJEZLMRACDHQ-KGLIPLIRSA-N 1 3 248.374 1.242 20 0 BDADHO CC1(C)CC(CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000625100554 342856342 /nfs/dbraw/zinc/85/63/42/342856342.db2.gz UEVCGKKOEAYMLD-RYUDHWBXSA-N 1 3 208.349 1.574 20 0 BDADHO CC(C)(N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000236790190 398316802 /nfs/dbraw/zinc/31/68/02/398316802.db2.gz KLFYPLXXXDYLRF-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO CCN1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000037248541 398312746 /nfs/dbraw/zinc/31/27/46/398312746.db2.gz WGSOVEGQZOONLF-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000584004474 342900388 /nfs/dbraw/zinc/90/03/88/342900388.db2.gz LYVPREKAMZYCSC-IRCOFANPSA-N 1 3 220.316 1.995 20 0 BDADHO CC[NH+]1CCC(CN[C@H]2CCn3ccnc32)CC1 ZINC000379011162 346884192 /nfs/dbraw/zinc/88/41/92/346884192.db2.gz MIKGMORTMRLRHN-ZDUSSCGKSA-N 1 3 248.374 1.649 20 0 BDADHO C[C@H](CCc1ccccc1)[NH2+]CCCN ZINC000037713159 342943418 /nfs/dbraw/zinc/94/34/18/342943418.db2.gz KWULJAAJHBSKHZ-GFCCVEGCSA-N 1 3 206.333 1.946 20 0 BDADHO CC(C)CCN1CCCO[C@H](C[NH3+])C1 ZINC000313360714 259333984 /nfs/dbraw/zinc/33/39/84/259333984.db2.gz WPXOSKSIPAIBBH-LLVKDONJSA-N 1 3 200.326 1.082 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](CCO)C1 ZINC000678075732 488191084 /nfs/dbraw/zinc/19/10/84/488191084.db2.gz NYRUHSRJLSKCRM-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H](CCO)C1 ZINC000678075732 488191088 /nfs/dbraw/zinc/19/10/88/488191088.db2.gz NYRUHSRJLSKCRM-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO c1cc2c(cc1CN1CCCOCC1)C[NH2+]CC2 ZINC000211940774 343017443 /nfs/dbraw/zinc/01/74/43/343017443.db2.gz WFBUPZJKUFALGB-UHFFFAOYSA-N 1 3 246.354 1.555 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N)C1)C1CCOCC1 ZINC000235534783 343048215 /nfs/dbraw/zinc/04/82/15/343048215.db2.gz GMEWRQMIGWQJDX-UHTWSYAYSA-N 1 3 226.364 1.661 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000236310599 343091594 /nfs/dbraw/zinc/09/15/94/343091594.db2.gz ROZWIIOHVIXSBP-UTUOFQBUSA-N 1 3 212.337 1.273 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130236410 136271693 /nfs/dbraw/zinc/27/16/93/136271693.db2.gz VOHKMNDNLRWFMR-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130236410 136271694 /nfs/dbraw/zinc/27/16/94/136271694.db2.gz VOHKMNDNLRWFMR-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@H](C)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000163552889 343206739 /nfs/dbraw/zinc/20/67/39/343206739.db2.gz AKTLJMIKFZKEHB-VXGBXAGGSA-N 1 3 216.369 1.574 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+](C2CC2)C2CCNCC2)O1 ZINC000634687387 343239921 /nfs/dbraw/zinc/23/99/21/343239921.db2.gz JKVBWSKMDPIKEP-BXUZGUMPSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+](C2CC2)C2CCNCC2)O1 ZINC000634687387 343239923 /nfs/dbraw/zinc/23/99/23/343239923.db2.gz JKVBWSKMDPIKEP-BXUZGUMPSA-N 1 3 238.375 1.770 20 0 BDADHO Cc1c[nH]nc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635197 136300819 /nfs/dbraw/zinc/30/08/19/136300819.db2.gz QXEHSDVTOTWGAU-STQMWFEESA-N 1 3 248.374 1.540 20 0 BDADHO CC(C)[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC000151774180 343414620 /nfs/dbraw/zinc/41/46/20/343414620.db2.gz PERHFLFBUNDPMC-LBPRGKRZSA-N 1 3 243.395 1.077 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCCF)CC[C@H]21 ZINC000247969771 136373384 /nfs/dbraw/zinc/37/33/84/136373384.db2.gz HEOIZCGOJGKGKD-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC000247969771 136373385 /nfs/dbraw/zinc/37/33/85/136373385.db2.gz HEOIZCGOJGKGKD-VXGBXAGGSA-N 1 3 214.328 1.762 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]CCCN)C12CCC2 ZINC000083684777 343496260 /nfs/dbraw/zinc/49/62/60/343496260.db2.gz PCTQLCSVPWRHAL-WDEREUQCSA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@@H]1C[C@H](NCCC[NH3+])C12CCC2 ZINC000083684777 343496262 /nfs/dbraw/zinc/49/62/62/343496262.db2.gz PCTQLCSVPWRHAL-WDEREUQCSA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN)C1(C)C ZINC000082922847 343470806 /nfs/dbraw/zinc/47/08/06/343470806.db2.gz SSAFJJMYJKYNKU-NXEZZACHSA-N 1 3 200.326 1.128 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH3+])C1(C)C ZINC000082922847 343470807 /nfs/dbraw/zinc/47/08/07/343470807.db2.gz SSAFJJMYJKYNKU-NXEZZACHSA-N 1 3 200.326 1.128 20 0 BDADHO CSCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000086494477 343621849 /nfs/dbraw/zinc/62/18/49/343621849.db2.gz SIMPFOVIOYIVMQ-UTUOFQBUSA-N 1 3 228.405 1.860 20 0 BDADHO CC(C)C[C@H]([NH3+])CNC[C@]1(C)CCCO1 ZINC000087255778 343641900 /nfs/dbraw/zinc/64/19/00/343641900.db2.gz DEGZUUOBRFDZMH-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000127732917 343745935 /nfs/dbraw/zinc/74/59/35/343745935.db2.gz IPFJNZMBHLSTHB-UONOGXRCSA-N 1 3 238.375 1.796 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)C1(C)C ZINC000300625156 537813312 /nfs/dbraw/zinc/81/33/12/537813312.db2.gz FGUCJAKYVZFUQI-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCNCC2)C1(C)C ZINC000300625156 537813314 /nfs/dbraw/zinc/81/33/14/537813314.db2.gz FGUCJAKYVZFUQI-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)C1(C)C ZINC000300625158 537812696 /nfs/dbraw/zinc/81/26/96/537812696.db2.gz FGUCJAKYVZFUQI-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCNCC2)C1(C)C ZINC000300625158 537812702 /nfs/dbraw/zinc/81/27/02/537812702.db2.gz FGUCJAKYVZFUQI-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)[C@H]1CC[C@H]1[NH2+]CCOCCN(C)C ZINC000336662355 537820420 /nfs/dbraw/zinc/82/04/20/537820420.db2.gz KFYYPKHPFZBGOF-CHWSQXEVSA-N 1 3 228.380 1.589 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732434 344106872 /nfs/dbraw/zinc/10/68/72/344106872.db2.gz GOYMGQFSADZTDE-TUAOUCFPSA-N 1 3 226.364 1.532 20 0 BDADHO CCC[NH+](CCC)CCCNC(=O)[C@H](N)CC ZINC000130382313 344134527 /nfs/dbraw/zinc/13/45/27/344134527.db2.gz XOHZDXCUMKFMOX-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC[C@H]1CC1(F)F ZINC000622043991 344228001 /nfs/dbraw/zinc/22/80/01/344228001.db2.gz RBJSWACWBAWGCF-XWLWVQCSSA-N 1 3 248.317 1.374 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000132283558 344297432 /nfs/dbraw/zinc/29/74/32/344297432.db2.gz CTIVODFYAJOFLE-MCIONIFRSA-N 1 3 238.375 1.770 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000093215381 344312732 /nfs/dbraw/zinc/31/27/32/344312732.db2.gz ZRWOGAVGFSURHG-STQMWFEESA-N 1 3 234.343 1.794 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2ccc(O)cc2)C1 ZINC000093215381 344312733 /nfs/dbraw/zinc/31/27/33/344312733.db2.gz ZRWOGAVGFSURHG-STQMWFEESA-N 1 3 234.343 1.794 20 0 BDADHO COC(=O)CCCCN(C)CC(C)(C)C[NH3+] ZINC000600699671 344359810 /nfs/dbraw/zinc/35/98/10/344359810.db2.gz BXVRAOZUKLLULK-UHFFFAOYSA-N 1 3 230.352 1.246 20 0 BDADHO C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCCO1 ZINC000042825209 344468730 /nfs/dbraw/zinc/46/87/30/344468730.db2.gz WINJCAJZPZFHCO-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO C([NH2+]C[C@H]1CCCCO1)[C@@H]1CCCNC1 ZINC000042825209 344468732 /nfs/dbraw/zinc/46/87/32/344468732.db2.gz WINJCAJZPZFHCO-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO C[C@H](O)CCC[NH+]1CCC(N(C)C)CC1 ZINC000045619726 344573668 /nfs/dbraw/zinc/57/36/68/344573668.db2.gz RVGMGHHPRCNSHL-NSHDSACASA-N 1 3 214.353 1.173 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336782946 537851764 /nfs/dbraw/zinc/85/17/64/537851764.db2.gz ZBWYRSQDVNZBIL-CHWSQXEVSA-N 1 3 226.364 1.343 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)CSC)C1 ZINC000562984714 323078101 /nfs/dbraw/zinc/07/81/01/323078101.db2.gz FMFLQCHANWEYTF-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)CSC)C1 ZINC000562984714 323078102 /nfs/dbraw/zinc/07/81/02/323078102.db2.gz FMFLQCHANWEYTF-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO CCO[C@@H]1C[C@H]1N[C@H](C)c1ccc(C[NH3+])nc1C ZINC000578497197 344888218 /nfs/dbraw/zinc/88/82/18/344888218.db2.gz BDIWJIAFXYDEGC-LERXQTSPSA-N 1 3 249.358 1.677 20 0 BDADHO COCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386604857 344941425 /nfs/dbraw/zinc/94/14/25/344941425.db2.gz VOYMHULCXJDBPU-VXGBXAGGSA-N 1 3 214.353 1.533 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000359594409 345090767 /nfs/dbraw/zinc/09/07/67/345090767.db2.gz UAIXQRHKPYCGPB-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO C(CN1CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155812157 345106822 /nfs/dbraw/zinc/10/68/22/345106822.db2.gz KJPGZQRINNWLQT-UONOGXRCSA-N 1 3 237.391 1.299 20 0 BDADHO C(CN1CCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155812157 345106823 /nfs/dbraw/zinc/10/68/23/345106823.db2.gz KJPGZQRINNWLQT-UONOGXRCSA-N 1 3 237.391 1.299 20 0 BDADHO C(CN1CCN(CC2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000089749250 345109370 /nfs/dbraw/zinc/10/93/70/345109370.db2.gz PIFUWZCQMFZCKO-ZDUSSCGKSA-N 1 3 237.391 1.014 20 0 BDADHO CC(C)[C@H](C[NH3+])CNC[C@@H](N)c1ccccc1 ZINC000634995248 345184561 /nfs/dbraw/zinc/18/45/61/345184561.db2.gz YXAOTBQCUDPQLQ-ZIAGYGMSSA-N 1 3 235.375 1.507 20 0 BDADHO CC(C)[C@H](CN)C[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000634995448 345184989 /nfs/dbraw/zinc/18/49/89/345184989.db2.gz FFJWHVUYBSKJTQ-JHJVBQTASA-N 1 3 227.396 1.134 20 0 BDADHO CC(C)[C@H](CN)C[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000634995448 345184990 /nfs/dbraw/zinc/18/49/90/345184990.db2.gz FFJWHVUYBSKJTQ-JHJVBQTASA-N 1 3 227.396 1.134 20 0 BDADHO C[C@@H]1CN(Cc2ccsc2)C[C@H]1C[NH3+] ZINC000634998240 345198410 /nfs/dbraw/zinc/19/84/10/345198410.db2.gz CJPCEGHBWORHMF-MWLCHTKSSA-N 1 3 210.346 1.775 20 0 BDADHO C[C@@H]1CN(Cc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000634999229 345199230 /nfs/dbraw/zinc/19/92/30/345199230.db2.gz RJQPPFQZMXHFBB-BXUZGUMPSA-N 1 3 246.354 1.648 20 0 BDADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000635007271 345202615 /nfs/dbraw/zinc/20/26/15/345202615.db2.gz OVQVJQQDSCFNRZ-IJLUTSLNSA-N 1 3 234.347 1.645 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])[C@@H](C)O1 ZINC000635003431 345206195 /nfs/dbraw/zinc/20/61/95/345206195.db2.gz DBQZFBJSMYEFNR-VEGXAWMVSA-N 1 3 226.364 1.802 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[C@H](C[NH3+])CC2)c2nccn21 ZINC000635004336 345207705 /nfs/dbraw/zinc/20/77/05/345207705.db2.gz HZZJJZWDVMGKDU-FDYHWXHSSA-N 1 3 248.374 1.996 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CCCO1 ZINC000635011252 345212691 /nfs/dbraw/zinc/21/26/91/345212691.db2.gz MXFICXDIPYOPJU-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@H]1CCCO1 ZINC000635011252 345212693 /nfs/dbraw/zinc/21/26/93/345212693.db2.gz MXFICXDIPYOPJU-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008872 345216696 /nfs/dbraw/zinc/21/66/96/345216696.db2.gz LAIUPPUKSFTFGW-NSHDSACASA-N 1 3 234.347 1.702 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166673093 537893234 /nfs/dbraw/zinc/89/32/34/537893234.db2.gz UJZVDLDKDHHOBS-IGQOVBAYSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166673093 537893245 /nfs/dbraw/zinc/89/32/45/537893245.db2.gz UJZVDLDKDHHOBS-IGQOVBAYSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166673093 537893255 /nfs/dbraw/zinc/89/32/55/537893255.db2.gz UJZVDLDKDHHOBS-IGQOVBAYSA-N 1 3 240.391 1.610 20 0 BDADHO COCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158493466 345340344 /nfs/dbraw/zinc/34/03/44/345340344.db2.gz VVVOQGMOJMVPQU-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO COCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158493466 345340348 /nfs/dbraw/zinc/34/03/48/345340348.db2.gz VVVOQGMOJMVPQU-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158493466 345340350 /nfs/dbraw/zinc/34/03/50/345340350.db2.gz VVVOQGMOJMVPQU-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000158493466 345340353 /nfs/dbraw/zinc/34/03/53/345340353.db2.gz VVVOQGMOJMVPQU-RYUDHWBXSA-N 1 3 212.337 1.049 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000134103504 345399125 /nfs/dbraw/zinc/39/91/25/345399125.db2.gz YATOEEPIQUNSSZ-GHMZBOCLSA-N 1 3 249.358 1.670 20 0 BDADHO C[C@H](CC[NH3+])NCc1cccc(-n2cccn2)c1 ZINC000136133467 345479940 /nfs/dbraw/zinc/47/99/40/345479940.db2.gz IRKXLTAPIIWSHI-GFCCVEGCSA-N 1 3 244.342 1.699 20 0 BDADHO CCC[NH+]1CCC(N(C)CCC(C)(C)O)CC1 ZINC000081671627 345484357 /nfs/dbraw/zinc/48/43/57/345484357.db2.gz LPYBAAKQXOOVJC-UHFFFAOYSA-N 1 3 242.407 1.954 20 0 BDADHO CN1CCC[C@@H](C[NH2+]Cc2ccncc2N)C1 ZINC000641720682 362636470 /nfs/dbraw/zinc/63/64/70/362636470.db2.gz NZJMDXFZXNQRFW-NSHDSACASA-N 1 3 234.347 1.095 20 0 BDADHO C[C@H](NCCCC[NH+](C)C)c1ncc[nH]1 ZINC000285499976 537923389 /nfs/dbraw/zinc/92/33/89/537923389.db2.gz ADYMOOWDKTWUIE-JTQLQIEISA-N 1 3 210.325 1.402 20 0 BDADHO Cc1ccc(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000605575894 346024312 /nfs/dbraw/zinc/02/43/12/346024312.db2.gz ORTUTIKJBUVWCJ-HUUCEWRRSA-N 1 3 230.355 1.689 20 0 BDADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N)C1 ZINC000122153625 179034704 /nfs/dbraw/zinc/03/47/04/179034704.db2.gz XEDKZRGSVYYFOR-GFCCVEGCSA-N 1 3 204.317 1.836 20 0 BDADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](N)C1 ZINC000122153625 179034707 /nfs/dbraw/zinc/03/47/07/179034707.db2.gz XEDKZRGSVYYFOR-GFCCVEGCSA-N 1 3 204.317 1.836 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2ccncc2N)C1 ZINC000641759674 362691197 /nfs/dbraw/zinc/69/11/97/362691197.db2.gz FZXFKAKJINJPBL-LBPRGKRZSA-N 1 3 248.374 1.485 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2ccncc2N)C1 ZINC000641759674 362691202 /nfs/dbraw/zinc/69/12/02/362691202.db2.gz FZXFKAKJINJPBL-LBPRGKRZSA-N 1 3 248.374 1.485 20 0 BDADHO CC(C)OC(=O)CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000603432996 349953742 /nfs/dbraw/zinc/95/37/42/349953742.db2.gz LTUMDQMXBCAICY-VHSXEESVSA-N 1 3 228.336 1.044 20 0 BDADHO CC(C)OC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000603432996 349953744 /nfs/dbraw/zinc/95/37/44/349953744.db2.gz LTUMDQMXBCAICY-VHSXEESVSA-N 1 3 228.336 1.044 20 0 BDADHO Cc1cccc(CN(C)CCN2CC[NH2+]CC2)c1 ZINC000042307308 179065909 /nfs/dbraw/zinc/06/59/09/179065909.db2.gz RXQPOIYIKJXVQD-UHFFFAOYSA-N 1 3 247.386 1.332 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)C1CNC1 ZINC000580075687 346513444 /nfs/dbraw/zinc/51/34/44/346513444.db2.gz QCQHKFJBBANRHZ-INTQDDNPSA-N 1 3 200.301 1.465 20 0 BDADHO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000641802122 362758546 /nfs/dbraw/zinc/75/85/46/362758546.db2.gz XVRWGXVGLIGLOX-NWDGAFQWSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@H]1CCC(C)(C)[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000641802122 362758551 /nfs/dbraw/zinc/75/85/51/362758551.db2.gz XVRWGXVGLIGLOX-NWDGAFQWSA-N 1 3 238.375 1.770 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1C[C@H](C)CC(C)(C)C1 ZINC000571103602 323135613 /nfs/dbraw/zinc/13/56/13/323135613.db2.gz FBJPZWLWNHAPQF-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@H](C)CC(C)(C)C1 ZINC000571103602 323135614 /nfs/dbraw/zinc/13/56/14/323135614.db2.gz FBJPZWLWNHAPQF-CHWSQXEVSA-N 1 3 242.407 1.667 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191574 365870302 /nfs/dbraw/zinc/87/03/02/365870302.db2.gz PHRLLIJWKXSROF-OCCSQVGLSA-N 1 3 233.359 1.874 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCCc2ccccn2)C1 ZINC000577191574 365870306 /nfs/dbraw/zinc/87/03/06/365870306.db2.gz PHRLLIJWKXSROF-OCCSQVGLSA-N 1 3 233.359 1.874 20 0 BDADHO Cn1cncc1CC[N@@H+]1CC2CCC1(CN)CC2 ZINC000641819095 362771101 /nfs/dbraw/zinc/77/11/01/362771101.db2.gz IAPCNKFFPSWSNG-UHFFFAOYSA-N 1 3 248.374 1.166 20 0 BDADHO Cn1cncc1CC[N@H+]1CC2CCC1(CN)CC2 ZINC000641819095 362771105 /nfs/dbraw/zinc/77/11/05/362771105.db2.gz IAPCNKFFPSWSNG-UHFFFAOYSA-N 1 3 248.374 1.166 20 0 BDADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000149756585 347509896 /nfs/dbraw/zinc/50/98/96/347509896.db2.gz NJKWUPZMLQTWIG-FDYHWXHSSA-N 1 3 226.364 1.756 20 0 BDADHO C[C@@H](N)[C@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000149756585 347509900 /nfs/dbraw/zinc/50/99/00/347509900.db2.gz NJKWUPZMLQTWIG-FDYHWXHSSA-N 1 3 226.364 1.756 20 0 BDADHO CN(CCC[NH+](C)C)CC[C@H]1CCOC1 ZINC000577248146 365897931 /nfs/dbraw/zinc/89/79/31/365897931.db2.gz UAEQUGSCSHZCRI-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO Cc1ccccc1CN(C)CCN1CC[NH2+]CC1 ZINC000042307402 179269436 /nfs/dbraw/zinc/26/94/36/179269436.db2.gz XGGAQJRHGGAORY-UHFFFAOYSA-N 1 3 247.386 1.332 20 0 BDADHO CSCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000591567850 347671053 /nfs/dbraw/zinc/67/10/53/347671053.db2.gz YHYMARVCFSCTQW-NXEZZACHSA-N 1 3 202.367 1.599 20 0 BDADHO C[C@@H]1C[C@H](C)N(C[C@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000397485094 362888254 /nfs/dbraw/zinc/88/82/54/362888254.db2.gz UAKKSWCDRUVUSO-XJFOESAGSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCO2)C[C@H]1CN ZINC000397485094 362888255 /nfs/dbraw/zinc/88/82/55/362888255.db2.gz UAKKSWCDRUVUSO-XJFOESAGSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCCO2)C[C@H]1CN ZINC000397485094 362888256 /nfs/dbraw/zinc/88/82/56/362888256.db2.gz UAKKSWCDRUVUSO-XJFOESAGSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)N(C[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000397485096 362888259 /nfs/dbraw/zinc/88/82/59/362888259.db2.gz UAKKSWCDRUVUSO-ZOBORPQBSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCCO2)C[C@@H]1CN ZINC000397485096 362888260 /nfs/dbraw/zinc/88/82/60/362888260.db2.gz UAKKSWCDRUVUSO-ZOBORPQBSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCCO2)C[C@@H]1CN ZINC000397485096 362888261 /nfs/dbraw/zinc/88/82/61/362888261.db2.gz UAKKSWCDRUVUSO-ZOBORPQBSA-N 1 3 240.391 1.861 20 0 BDADHO CN1CCN(CCCC[NH2+]CC(C)(C)C)CC1 ZINC000596638311 348598615 /nfs/dbraw/zinc/59/86/15/348598615.db2.gz PZRINXZUNBCONQ-UHFFFAOYSA-N 1 3 241.423 1.650 20 0 BDADHO CCSCCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000252688222 349209980 /nfs/dbraw/zinc/20/99/80/349209980.db2.gz NOXGUHBDLRKRQG-NXEZZACHSA-N 1 3 202.367 1.551 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N)C1)[C@H]1CCOC1 ZINC000253080073 349226420 /nfs/dbraw/zinc/22/64/20/349226420.db2.gz VEAWRATWVCGNFD-NNYUYHANSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1ncc(CNCCCC[N@@H+](C)C2CC2)o1 ZINC000628304665 349325513 /nfs/dbraw/zinc/32/55/13/349325513.db2.gz KUYZFMIMQTWFOY-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO Cc1ncc(CNCCCC[N@H+](C)C2CC2)o1 ZINC000628304665 349325517 /nfs/dbraw/zinc/32/55/17/349325517.db2.gz KUYZFMIMQTWFOY-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO C[N@@H+]1CC[C@@H](NCCc2cn[nH]c2)CC1(C)C ZINC000623527927 362948273 /nfs/dbraw/zinc/94/82/73/362948273.db2.gz OJCICGLPSVUNQX-GFCCVEGCSA-N 1 3 236.363 1.415 20 0 BDADHO C[N@H+]1CC[C@@H](NCCc2cn[nH]c2)CC1(C)C ZINC000623527927 362948275 /nfs/dbraw/zinc/94/82/75/362948275.db2.gz OJCICGLPSVUNQX-GFCCVEGCSA-N 1 3 236.363 1.415 20 0 BDADHO CC(C)[C@@H](CO)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000132170670 191026725 /nfs/dbraw/zinc/02/67/25/191026725.db2.gz DOTDWQFRHDVYEW-HZSPNIEDSA-N 1 3 234.343 1.738 20 0 BDADHO CCC[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000133616053 191041868 /nfs/dbraw/zinc/04/18/68/191041868.db2.gz OQHCYYRJSUQXNM-CYBMUJFWSA-N 1 3 228.380 1.610 20 0 BDADHO C1CC(C([NH2+][C@H]2CCNC2)C2CCC2)C1 ZINC000324791009 323282465 /nfs/dbraw/zinc/28/24/65/323282465.db2.gz JYBFJOVYLUUNQA-LBPRGKRZSA-N 1 3 208.349 1.907 20 0 BDADHO C1CC(C([NH2+][C@@H]2CCNC2)C2CCC2)C1 ZINC000324791007 323282673 /nfs/dbraw/zinc/28/26/73/323282673.db2.gz JYBFJOVYLUUNQA-GFCCVEGCSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000083525766 350236379 /nfs/dbraw/zinc/23/63/79/350236379.db2.gz DMQJQCHNVTZWIZ-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000083525766 350236380 /nfs/dbraw/zinc/23/63/80/350236380.db2.gz DMQJQCHNVTZWIZ-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CC[C@@H]2CCCO2)C1 ZINC000083525766 350236382 /nfs/dbraw/zinc/23/63/82/350236382.db2.gz DMQJQCHNVTZWIZ-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO Cc1ncsc1CCN1CCC[C@H](C[NH3+])C1 ZINC000050285434 180309047 /nfs/dbraw/zinc/30/90/47/180309047.db2.gz CMBIKXSLVOGLDY-LLVKDONJSA-N 1 3 239.388 1.665 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CCCC[C@@H]1O ZINC000328533472 350402501 /nfs/dbraw/zinc/40/25/01/350402501.db2.gz YZVWXVLQSKAWSK-MJBXVCDLSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)[C@@H](C)O1 ZINC000384735294 350496951 /nfs/dbraw/zinc/49/69/51/350496951.db2.gz KMSLESSIRDNJGZ-VEGXAWMVSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCO[C@H](C)C1)CN1CCCC1 ZINC000070361848 350531149 /nfs/dbraw/zinc/53/11/49/350531149.db2.gz IDQAXAAGGKVOFZ-MCIONIFRSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062071268 350538810 /nfs/dbraw/zinc/53/88/10/350538810.db2.gz ZYHLZEHWFLKYGJ-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071268 350538814 /nfs/dbraw/zinc/53/88/14/350538814.db2.gz ZYHLZEHWFLKYGJ-NEPJUHHUSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)C)[C@@H](C)O1 ZINC000384942449 350650745 /nfs/dbraw/zinc/65/07/45/350650745.db2.gz QWDAXPRWJVOJOS-UTUOFQBUSA-N 1 3 228.380 1.730 20 0 BDADHO COC[C@H](C)C[NH2+]C1(C)CCNCC1 ZINC000577589496 366008454 /nfs/dbraw/zinc/00/84/54/366008454.db2.gz CILRVSAMEAFFDL-SNVBAGLBSA-N 1 3 200.326 1.001 20 0 BDADHO CC(C)N(C)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000336676470 191125159 /nfs/dbraw/zinc/12/51/59/191125159.db2.gz PTXAJINLTMEDGW-CYBMUJFWSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2CC[NH2+]CC2(C)C)O1 ZINC000398097990 363006296 /nfs/dbraw/zinc/00/62/96/363006296.db2.gz QXNWNYKVNYDYSW-GRYCIOLGSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCNCC2(C)C)O1 ZINC000398097990 363006298 /nfs/dbraw/zinc/00/62/98/363006298.db2.gz QXNWNYKVNYDYSW-GRYCIOLGSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](O)C1(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000628351368 351313508 /nfs/dbraw/zinc/31/35/08/351313508.db2.gz CSYNVZDVLOOOEC-GHMZBOCLSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@@H](O)C1(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000628351368 351313511 /nfs/dbraw/zinc/31/35/11/351313511.db2.gz CSYNVZDVLOOOEC-GHMZBOCLSA-N 1 3 226.364 1.362 20 0 BDADHO NCc1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000637800689 351636514 /nfs/dbraw/zinc/63/65/14/351636514.db2.gz HISICTRKAOQBME-LLVKDONJSA-N 1 3 231.299 1.131 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637817359 351661638 /nfs/dbraw/zinc/66/16/38/351661638.db2.gz UQKXFLCSLOAYNQ-VXGBXAGGSA-N 1 3 241.379 1.008 20 0 BDADHO CCN[C@H](C)C(=O)Nc1ccccc1C[NH2+]CC ZINC000637809095 351645157 /nfs/dbraw/zinc/64/51/57/351645157.db2.gz PNIHLOAIHCQPOE-LLVKDONJSA-N 1 3 249.358 1.733 20 0 BDADHO CNCc1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000637810003 351650283 /nfs/dbraw/zinc/65/02/83/351650283.db2.gz ZNTRFBQFBFLCNV-GFCCVEGCSA-N 1 3 245.326 1.392 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000637827740 351670432 /nfs/dbraw/zinc/67/04/32/351670432.db2.gz BLUYKZIUXUIITB-LBPRGKRZSA-N 1 3 243.395 1.254 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000638068786 351940375 /nfs/dbraw/zinc/94/03/75/351940375.db2.gz ZJIAYOCDWSFTCJ-LBPRGKRZSA-N 1 3 243.395 1.208 20 0 BDADHO CC[C@H](C)[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000638186072 352050716 /nfs/dbraw/zinc/05/07/16/352050716.db2.gz KLHTZZWSPFYAET-CYDGBPFRSA-N 1 3 226.364 1.199 20 0 BDADHO CC[C@H](C)[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000638186073 352051104 /nfs/dbraw/zinc/05/11/04/352051104.db2.gz KLHTZZWSPFYAET-LOWDOPEQSA-N 1 3 226.364 1.199 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270615 352108721 /nfs/dbraw/zinc/10/87/21/352108721.db2.gz JMGNMFFQVFZPME-WDEREUQCSA-N 1 3 241.379 1.007 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000638350479 352166370 /nfs/dbraw/zinc/16/63/70/352166370.db2.gz JGLUNGOBMRCBDV-IJLUTSLNSA-N 1 3 241.379 1.007 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000638381346 352193346 /nfs/dbraw/zinc/19/33/46/352193346.db2.gz KIWYSVDBZDIRDN-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](C[NH2+]CCC[C@@H]1CCO1)CN1CCCC1 ZINC000638385335 352196028 /nfs/dbraw/zinc/19/60/28/352196028.db2.gz HWQWVWIJOGZFOP-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CCC[C@@H]2CCO2)C1 ZINC000638452237 352261943 /nfs/dbraw/zinc/26/19/43/352261943.db2.gz VVVOSTJXQLJWAY-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+]1CCC[C@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638452421 352262664 /nfs/dbraw/zinc/26/26/64/352262664.db2.gz YXXQLEDBIUYAGS-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CC[N@H+]1CCC[C@H](CNC[C@@H](OC)C2CC2)C1 ZINC000638452421 352262668 /nfs/dbraw/zinc/26/26/68/352262668.db2.gz YXXQLEDBIUYAGS-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414949126 352370431 /nfs/dbraw/zinc/37/04/31/352370431.db2.gz NBQLRGSMQBOANU-UPJWGTAASA-N 1 3 228.380 1.778 20 0 BDADHO COC[C@H](CC(C)C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414949126 352370433 /nfs/dbraw/zinc/37/04/33/352370433.db2.gz NBQLRGSMQBOANU-UPJWGTAASA-N 1 3 228.380 1.778 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCC2(O)CCC2)CC1 ZINC000411642010 191203079 /nfs/dbraw/zinc/20/30/79/191203079.db2.gz YCVPRXYBJHHINR-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCC2(O)CCC2)CC1 ZINC000411642010 191203081 /nfs/dbraw/zinc/20/30/81/191203081.db2.gz YCVPRXYBJHHINR-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCC2(O)CCC2)CC1 ZINC000411642010 191203084 /nfs/dbraw/zinc/20/30/84/191203084.db2.gz YCVPRXYBJHHINR-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO Cc1cc(C[NH2+][C@@H](C)[C@H](C)N)ccc1F ZINC000415011566 352546681 /nfs/dbraw/zinc/54/66/81/352546681.db2.gz QSTIOKFLYWBPCL-UWVGGRQHSA-N 1 3 210.296 1.959 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215252 352814385 /nfs/dbraw/zinc/81/43/85/352814385.db2.gz UGUUNNWUDGBBCZ-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000334215252 352814387 /nfs/dbraw/zinc/81/43/87/352814387.db2.gz UGUUNNWUDGBBCZ-CHWSQXEVSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CC1(F)F ZINC000638839223 353016699 /nfs/dbraw/zinc/01/66/99/353016699.db2.gz ZVCRKKGQKHGXQB-ONGXEEELSA-N 1 3 230.302 1.882 20 0 BDADHO CN1CC=C(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638838027 353022626 /nfs/dbraw/zinc/02/26/26/353022626.db2.gz BXHSFEDDVRCETK-BTTYYORXSA-N 1 3 220.360 1.884 20 0 BDADHO CSC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000307054942 353052105 /nfs/dbraw/zinc/05/21/05/353052105.db2.gz YIEHJLMKKVJUCJ-AOOOYVTPSA-N 1 3 212.362 1.033 20 0 BDADHO CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N(CC)CC ZINC000638934395 353097677 /nfs/dbraw/zinc/09/76/77/353097677.db2.gz HUBSQHRGPKADFK-GRYCIOLGSA-N 1 3 241.379 1.055 20 0 BDADHO C[N@H+](CCOCC(F)(F)F)C1CCNCC1 ZINC000049311719 353161454 /nfs/dbraw/zinc/16/14/54/353161454.db2.gz YZSOQUTZJCPICY-UHFFFAOYSA-N 1 3 240.269 1.249 20 0 BDADHO C[N@@H+](CCOCC(F)(F)F)C1CCNCC1 ZINC000049311719 353161457 /nfs/dbraw/zinc/16/14/57/353161457.db2.gz YZSOQUTZJCPICY-UHFFFAOYSA-N 1 3 240.269 1.249 20 0 BDADHO CO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C(C)(C)C ZINC000572497341 324134131 /nfs/dbraw/zinc/13/41/31/324134131.db2.gz LPQVIYNSHPYTGX-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO CCN(CCC[NH+](C)C)C(=O)C1(N)CCCC1 ZINC000230711125 353519330 /nfs/dbraw/zinc/51/93/30/353519330.db2.gz QSGYPSFKRSMBLB-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO CC1(C)[C@H]([NH2+]Cc2ccccc2)C[C@@H]1N ZINC000405461624 353497267 /nfs/dbraw/zinc/49/72/67/353497267.db2.gz IUROQWWGKUNSIR-NWDGAFQWSA-N 1 3 204.317 1.902 20 0 BDADHO CC(C)C[N@H+](C)CCCN(C)CCN(C)C ZINC000344028316 354090514 /nfs/dbraw/zinc/09/05/14/354090514.db2.gz MYDKMWAGIHPBFC-UHFFFAOYSA-N 1 3 229.412 1.458 20 0 BDADHO CC(C)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000344028316 354090516 /nfs/dbraw/zinc/09/05/16/354090516.db2.gz MYDKMWAGIHPBFC-UHFFFAOYSA-N 1 3 229.412 1.458 20 0 BDADHO CCCC[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449686768 202001938 /nfs/dbraw/zinc/00/19/38/202001938.db2.gz YBLCGQASRBGSHC-NWDGAFQWSA-N 1 3 241.379 1.152 20 0 BDADHO C[C@@H]1CCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000231675922 363347295 /nfs/dbraw/zinc/34/72/95/363347295.db2.gz ZKTZMWRSFBSUQN-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000344331021 354227437 /nfs/dbraw/zinc/22/74/37/354227437.db2.gz ONQSEEWSNXMLDQ-IUODEOHRSA-N 1 3 249.402 1.321 20 0 BDADHO COCCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000234624059 363426548 /nfs/dbraw/zinc/42/65/48/363426548.db2.gz ZLLBIQTZYZHOSA-NWDGAFQWSA-N 1 3 214.353 1.520 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000346460651 354964961 /nfs/dbraw/zinc/96/49/61/354964961.db2.gz MXUZTBUEHZZEAW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCO2)C1 ZINC000346460651 354964963 /nfs/dbraw/zinc/96/49/63/354964963.db2.gz MXUZTBUEHZZEAW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCO2)C1 ZINC000346460651 354964966 /nfs/dbraw/zinc/96/49/66/354964966.db2.gz MXUZTBUEHZZEAW-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](CC(N)=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000346865941 355133737 /nfs/dbraw/zinc/13/37/37/355133737.db2.gz OVOJKJKKFZRTPS-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](CC(N)=O)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000346865941 355133740 /nfs/dbraw/zinc/13/37/40/355133740.db2.gz OVOJKJKKFZRTPS-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)C2(N)CCC2)c1 ZINC000335240613 355156069 /nfs/dbraw/zinc/15/60/69/355156069.db2.gz YNVFYNMUXSTBOV-UHFFFAOYSA-N 1 3 233.315 1.274 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)OC ZINC000412979009 191349429 /nfs/dbraw/zinc/34/94/29/191349429.db2.gz RQWOEEVTSFSGCO-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)OC ZINC000412979009 191349432 /nfs/dbraw/zinc/34/94/32/191349432.db2.gz RQWOEEVTSFSGCO-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)[C@@H]1CCCOC1 ZINC000389098021 355658948 /nfs/dbraw/zinc/65/89/48/355658948.db2.gz RCEUSYZELPDDGD-IGQOVBAYSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@H]1CCCOC1 ZINC000389098023 355659316 /nfs/dbraw/zinc/65/93/16/355659316.db2.gz RCEUSYZELPDDGD-RFQIPJPRSA-N 1 3 240.391 1.909 20 0 BDADHO C[NH+](C)CC1CCN(Cc2ccncc2)CC1 ZINC000350183198 355622121 /nfs/dbraw/zinc/62/21/21/355622121.db2.gz DQUHTEPUQWZJND-UHFFFAOYSA-N 1 3 233.359 1.855 20 0 BDADHO C[C@H](NC[C@@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000389107884 355677160 /nfs/dbraw/zinc/67/71/60/355677160.db2.gz MKVPZFJLQHDQAW-XJFOESAGSA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)(O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000389197676 355839600 /nfs/dbraw/zinc/83/96/00/355839600.db2.gz BMSUVYBKPRHEPB-VHSXEESVSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000389197676 355839601 /nfs/dbraw/zinc/83/96/01/355839601.db2.gz BMSUVYBKPRHEPB-VHSXEESVSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H](C)[C@H]1CC1(F)F ZINC000666444463 491088526 /nfs/dbraw/zinc/08/85/26/491088526.db2.gz GIOJZEOZHRVNET-OPRDCNLKSA-N 1 3 220.307 1.960 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CCC([NH+](C)C)CC1 ZINC000639450513 356234736 /nfs/dbraw/zinc/23/47/36/356234736.db2.gz QJRRRRNIPILGEG-RYUDHWBXSA-N 1 3 226.364 1.437 20 0 BDADHO C[C@@H](NC[C@H](C)N(C)c1ccccc1)C1C[NH2+]C1 ZINC000422866944 192493194 /nfs/dbraw/zinc/49/31/94/192493194.db2.gz RFNPLUYCEHWJNC-QWHCGFSZSA-N 1 3 247.386 1.709 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)C1CNC1 ZINC000422866944 192493196 /nfs/dbraw/zinc/49/31/96/192493196.db2.gz RFNPLUYCEHWJNC-QWHCGFSZSA-N 1 3 247.386 1.709 20 0 BDADHO Cc1noc(CCC[N@@H+](C)CC(C)(C)CN)n1 ZINC000420297950 192204285 /nfs/dbraw/zinc/20/42/85/192204285.db2.gz ZEEHKUOKOXZRLC-UHFFFAOYSA-N 1 3 240.351 1.227 20 0 BDADHO Cc1noc(CCC[N@H+](C)CC(C)(C)CN)n1 ZINC000420297950 192204287 /nfs/dbraw/zinc/20/42/87/192204287.db2.gz ZEEHKUOKOXZRLC-UHFFFAOYSA-N 1 3 240.351 1.227 20 0 BDADHO CC(C)OC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000420286392 192201140 /nfs/dbraw/zinc/20/11/40/192201140.db2.gz GGHJIFLRGNKGQY-GFCCVEGCSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)OC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000420288585 192202007 /nfs/dbraw/zinc/20/20/07/192202007.db2.gz JINFUQCIUYNNCE-GFCCVEGCSA-N 1 3 228.336 1.045 20 0 BDADHO C[N@H+](CCCC1CCCC1)C[C@@H](O)CN ZINC000420349889 192217972 /nfs/dbraw/zinc/21/79/72/192217972.db2.gz FASDOHMFSVCHHX-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO C[N@@H+](CCCC1CCCC1)C[C@@H](O)CN ZINC000420349889 192217974 /nfs/dbraw/zinc/21/79/74/192217974.db2.gz FASDOHMFSVCHHX-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO CN(CCCC1CCCC1)C[C@@H](O)C[NH3+] ZINC000420349889 192217976 /nfs/dbraw/zinc/21/79/76/192217976.db2.gz FASDOHMFSVCHHX-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO CCOC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000420309425 192211176 /nfs/dbraw/zinc/21/11/76/192211176.db2.gz LKJXFYDFEIJAPC-NSHDSACASA-N 1 3 228.336 1.014 20 0 BDADHO CC(C)[C@@](C)(CN)[NH2+]CCCN1CCCCC1 ZINC000420317081 192212422 /nfs/dbraw/zinc/21/24/22/192212422.db2.gz MZJRBHCBFJSTSE-CQSZACIVSA-N 1 3 241.423 1.825 20 0 BDADHO C[C@]1(C[NH3+])CCN(CCCc2ccncc2)C1 ZINC000420321444 192227342 /nfs/dbraw/zinc/22/73/42/192227342.db2.gz VEBUIDVIILBPFB-CQSZACIVSA-N 1 3 233.359 1.685 20 0 BDADHO C[C@]1(CN)CC[N@H+](CCCc2ccncc2)C1 ZINC000420321444 192227344 /nfs/dbraw/zinc/22/73/44/192227344.db2.gz VEBUIDVIILBPFB-CQSZACIVSA-N 1 3 233.359 1.685 20 0 BDADHO C[C@]1(CN)CC[N@@H+](CCCc2ccncc2)C1 ZINC000420321444 192227346 /nfs/dbraw/zinc/22/73/46/192227346.db2.gz VEBUIDVIILBPFB-CQSZACIVSA-N 1 3 233.359 1.685 20 0 BDADHO CC[C@H](c1ccccc1)N(C)C[C@@H](O)C[NH3+] ZINC000420357690 192219092 /nfs/dbraw/zinc/21/90/92/192219092.db2.gz SLLCRVMFVPKMCD-QWHCGFSZSA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN ZINC000420357690 192219095 /nfs/dbraw/zinc/21/90/95/192219095.db2.gz SLLCRVMFVPKMCD-QWHCGFSZSA-N 1 3 222.332 1.389 20 0 BDADHO CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CN ZINC000420357690 192219097 /nfs/dbraw/zinc/21/90/97/192219097.db2.gz SLLCRVMFVPKMCD-QWHCGFSZSA-N 1 3 222.332 1.389 20 0 BDADHO CCC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000420355724 192220034 /nfs/dbraw/zinc/22/00/34/192220034.db2.gz FQQUDZPKYAMPKE-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)OC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420360318 192221907 /nfs/dbraw/zinc/22/19/07/192221907.db2.gz LBBCJEUPSMFCRM-NSHDSACASA-N 1 3 242.363 1.306 20 0 BDADHO CC(C)OC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420360318 192221909 /nfs/dbraw/zinc/22/19/09/192221909.db2.gz LBBCJEUPSMFCRM-NSHDSACASA-N 1 3 242.363 1.306 20 0 BDADHO CCSCCN[C@@H](C[NH3+])C(C)(C)C ZINC000420358818 192222149 /nfs/dbraw/zinc/22/21/49/192222149.db2.gz JGTBMXVRBMIWSQ-VIFPVBQESA-N 1 3 204.383 1.703 20 0 BDADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)CN ZINC000420359378 192222699 /nfs/dbraw/zinc/22/26/99/192222699.db2.gz VUNPQNIZZWRGDX-OLZOCXBDSA-N 1 3 240.322 1.528 20 0 BDADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)CN ZINC000420359378 192222701 /nfs/dbraw/zinc/22/27/01/192222701.db2.gz VUNPQNIZZWRGDX-OLZOCXBDSA-N 1 3 240.322 1.528 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC[C@H]1CCCO1 ZINC000420363805 192224703 /nfs/dbraw/zinc/22/47/03/192224703.db2.gz JURQPVFSVKDNII-LPWJVIDDSA-N 1 3 226.364 1.532 20 0 BDADHO c1c[nH]c([C@H]2CCCN2CC[C@@H]2CC[NH2+]C2)n1 ZINC000420376707 192231316 /nfs/dbraw/zinc/23/13/16/192231316.db2.gz QZEZZNFWDSGFKE-NWDGAFQWSA-N 1 3 234.347 1.546 20 0 BDADHO CC(C)OCCCN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420380663 192232967 /nfs/dbraw/zinc/23/29/67/192232967.db2.gz YNECDMJKUGVTSC-FRRDWIJNSA-N 1 3 228.380 1.778 20 0 BDADHO c1c[nH]c([C@H]2CCCN2CC[C@H]2CCC[NH2+]C2)n1 ZINC000420378402 192233966 /nfs/dbraw/zinc/23/39/66/192233966.db2.gz UBWANCZCPXKLTB-CHWSQXEVSA-N 1 3 248.374 1.936 20 0 BDADHO CCN(CCC[NH+]1CCCCC1)C[C@H](C)O ZINC000352220011 134108838 /nfs/dbraw/zinc/10/88/38/134108838.db2.gz GGZSCDVHKHFAHF-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)[C@H]1CCCOC1 ZINC000352219649 134109085 /nfs/dbraw/zinc/10/90/85/134109085.db2.gz DYPNYUYURQFXKW-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)[C@H]1CCCOC1 ZINC000352219649 134109086 /nfs/dbraw/zinc/10/90/86/134109086.db2.gz DYPNYUYURQFXKW-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CC[NH+](CC)CCNC(=O)C1(N)CCCCC1 ZINC000019504354 356483878 /nfs/dbraw/zinc/48/38/78/356483878.db2.gz VAAQVENVSQKBPS-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000639614038 356532271 /nfs/dbraw/zinc/53/22/71/356532271.db2.gz WVECLRMKZJGYMM-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000639614038 356532276 /nfs/dbraw/zinc/53/22/76/356532276.db2.gz WVECLRMKZJGYMM-MJBXVCDLSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)=CCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761531 356677421 /nfs/dbraw/zinc/67/74/21/356677421.db2.gz GELUBXGINJVSRD-AWEZNQCLSA-N 1 3 240.391 1.731 20 0 BDADHO C[NH+](C)C[C@]1(O)CCCN(CCCCCF)C1 ZINC000639769381 356708611 /nfs/dbraw/zinc/70/86/11/356708611.db2.gz YEZJJRWSHVZPKB-CYBMUJFWSA-N 1 3 246.370 1.515 20 0 BDADHO CCC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000450462519 202173529 /nfs/dbraw/zinc/17/35/29/202173529.db2.gz HAVIEJWDPDRLDE-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[C@@H](O)C[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000450462519 202173534 /nfs/dbraw/zinc/17/35/34/202173534.db2.gz HAVIEJWDPDRLDE-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000041680146 358513182 /nfs/dbraw/zinc/51/31/82/358513182.db2.gz VGWQSBKWXQLPJD-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CN1CCC([NH2+]CCCN2CCCCC2)CC1 ZINC000020128712 356998751 /nfs/dbraw/zinc/99/87/51/356998751.db2.gz NSJLMALXWWCSGT-UHFFFAOYSA-N 1 3 239.407 1.546 20 0 BDADHO CCCCN(C[C@@H](O)C[N@H+](C)CC)C1CC1 ZINC000390652651 357109244 /nfs/dbraw/zinc/10/92/44/357109244.db2.gz NWPYUKUCHHHWRZ-ZDUSSCGKSA-N 1 3 228.380 1.564 20 0 BDADHO CCCCN(C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000390652651 357109245 /nfs/dbraw/zinc/10/92/45/357109245.db2.gz NWPYUKUCHHHWRZ-ZDUSSCGKSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+]Cc1cccc(CN(C)C)c1 ZINC000582415379 357140438 /nfs/dbraw/zinc/14/04/38/357140438.db2.gz QYLQADXWPTUIMS-RYUDHWBXSA-N 1 3 236.359 1.607 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000391185256 357125749 /nfs/dbraw/zinc/12/57/49/357125749.db2.gz VWDWVHPODIWASR-WDEREUQCSA-N 1 3 239.388 1.935 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCCc2nccs2)C1 ZINC000391185256 357125751 /nfs/dbraw/zinc/12/57/51/357125751.db2.gz VWDWVHPODIWASR-WDEREUQCSA-N 1 3 239.388 1.935 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCCC[C@@H]2O)C1 ZINC000393337400 357281316 /nfs/dbraw/zinc/28/13/16/357281316.db2.gz UIRILFSMGCTAND-IHRRRGAJSA-N 1 3 240.391 1.469 20 0 BDADHO COCCCCCN1CCC[C@H](C[NH3+])C1 ZINC000393774298 357298637 /nfs/dbraw/zinc/29/86/37/357298637.db2.gz WJQOGFCUNCMYQY-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCCC[N@@H+]1CCC[C@H](CN)C1 ZINC000393774298 357298638 /nfs/dbraw/zinc/29/86/38/357298638.db2.gz WJQOGFCUNCMYQY-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO COCCCCC[N@H+]1CCC[C@H](CN)C1 ZINC000393774298 357298639 /nfs/dbraw/zinc/29/86/39/357298639.db2.gz WJQOGFCUNCMYQY-GFCCVEGCSA-N 1 3 214.353 1.474 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425449 357252906 /nfs/dbraw/zinc/25/29/06/357252906.db2.gz LIKXJDGTMGZRIH-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000393434835 357309073 /nfs/dbraw/zinc/30/90/73/357309073.db2.gz WLXZWDSRDQKEQU-VXGBXAGGSA-N 1 3 228.380 1.645 20 0 BDADHO Cc1nccnc1CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000583078293 357473748 /nfs/dbraw/zinc/47/37/48/357473748.db2.gz LGZJFPHNNBXXMF-OCCSQVGLSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1nccnc1CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000583078293 357473749 /nfs/dbraw/zinc/47/37/49/357473749.db2.gz LGZJFPHNNBXXMF-OCCSQVGLSA-N 1 3 248.374 1.435 20 0 BDADHO CCN(CCC[NH+](C)C)C(=O)[C@H](N)CC(C)C ZINC000230710421 357572714 /nfs/dbraw/zinc/57/27/14/357572714.db2.gz GIGQPZYAJALQDT-GFCCVEGCSA-N 1 3 243.395 1.160 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710437 357572848 /nfs/dbraw/zinc/57/28/48/357572848.db2.gz XYVVRGHMYHXDJC-NEPJUHHUSA-N 1 3 243.395 1.160 20 0 BDADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccoc1 ZINC000397624199 357616806 /nfs/dbraw/zinc/61/68/06/357616806.db2.gz XGOVGAZHYYMBHM-NSHDSACASA-N 1 3 238.331 1.387 20 0 BDADHO CCN(CCC[NH+](CC)CC)CC(C)(C)O ZINC000190568492 357715401 /nfs/dbraw/zinc/71/54/01/357715401.db2.gz YFVUCIAQNDHDML-UHFFFAOYSA-N 1 3 230.396 1.811 20 0 BDADHO CCN(CC)CCC[N@H+](CC)CC(C)(C)O ZINC000190568492 357715402 /nfs/dbraw/zinc/71/54/02/357715402.db2.gz YFVUCIAQNDHDML-UHFFFAOYSA-N 1 3 230.396 1.811 20 0 BDADHO CCN(CC)CCC[N@@H+](CC)CC(C)(C)O ZINC000190568492 357715405 /nfs/dbraw/zinc/71/54/05/357715405.db2.gz YFVUCIAQNDHDML-UHFFFAOYSA-N 1 3 230.396 1.811 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCC2(O)CCC2)C1 ZINC000397765914 357681961 /nfs/dbraw/zinc/68/19/61/357681961.db2.gz YWTCXTCBDUEEAI-MNOVXSKESA-N 1 3 212.337 1.151 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCC2(O)CCC2)C1 ZINC000397765914 357681962 /nfs/dbraw/zinc/68/19/62/357681962.db2.gz YWTCXTCBDUEEAI-MNOVXSKESA-N 1 3 212.337 1.151 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H]([NH3+])C(C)C)C1(C)C ZINC000233766844 357745284 /nfs/dbraw/zinc/74/52/84/357745284.db2.gz MIILQXHYHDTKML-GRYCIOLGSA-N 1 3 228.380 1.763 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1ccc(F)cc1 ZINC000234730495 357833489 /nfs/dbraw/zinc/83/34/89/357833489.db2.gz PLWUPPMRAYXNSZ-CYBMUJFWSA-N 1 3 240.322 1.669 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000168573222 134226999 /nfs/dbraw/zinc/22/69/99/134226999.db2.gz KUHWQPBHAIGDHY-NEPJUHHUSA-N 1 3 226.364 1.256 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000398272080 357882140 /nfs/dbraw/zinc/88/21/40/357882140.db2.gz VJRVCRWPRTYCBB-IUCAKERBSA-N 1 3 222.279 1.475 20 0 BDADHO Cc1nn(C)cc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000168681522 134241690 /nfs/dbraw/zinc/24/16/90/134241690.db2.gz YFFBARRGKHVFLG-AAEUAGOBSA-N 1 3 236.363 1.336 20 0 BDADHO C[N@@H+]1CC[C@@H](NC[C@H](O)C2CC2)CC1(C)C ZINC000623418116 358062149 /nfs/dbraw/zinc/06/21/49/358062149.db2.gz CGWKSIWNBXSCLN-NEPJUHHUSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CC[C@@H](NC[C@H](O)C2CC2)CC1(C)C ZINC000623418116 358062151 /nfs/dbraw/zinc/06/21/51/358062151.db2.gz CGWKSIWNBXSCLN-NEPJUHHUSA-N 1 3 226.364 1.220 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000227597086 358360202 /nfs/dbraw/zinc/36/02/02/358360202.db2.gz QZTKOVMFJQZVJE-FVCCEPFGSA-N 1 3 226.364 1.397 20 0 BDADHO Cc1ccc(CCN2CC[C@@H](C[NH3+])C2)cc1 ZINC000211429658 358447395 /nfs/dbraw/zinc/44/73/95/358447395.db2.gz OTQBYCYGCXSYOG-AWEZNQCLSA-N 1 3 218.344 1.818 20 0 BDADHO Cc1ccc(CC[N@@H+]2CC[C@@H](CN)C2)cc1 ZINC000211429658 358447397 /nfs/dbraw/zinc/44/73/97/358447397.db2.gz OTQBYCYGCXSYOG-AWEZNQCLSA-N 1 3 218.344 1.818 20 0 BDADHO Cc1ccc(CC[N@H+]2CC[C@@H](CN)C2)cc1 ZINC000211429658 358447400 /nfs/dbraw/zinc/44/74/00/358447400.db2.gz OTQBYCYGCXSYOG-AWEZNQCLSA-N 1 3 218.344 1.818 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCCOC3)CC[N@@H+]2C1 ZINC000130215004 358615023 /nfs/dbraw/zinc/61/50/23/358615023.db2.gz VPEYVKXRBBRSTR-YNEHKIRRSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@@H](N[C@@H]3CCCOC3)CC[N@H+]2C1 ZINC000130215004 358615025 /nfs/dbraw/zinc/61/50/25/358615025.db2.gz VPEYVKXRBBRSTR-YNEHKIRRSA-N 1 3 224.348 1.382 20 0 BDADHO CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134884687 358810381 /nfs/dbraw/zinc/81/03/81/358810381.db2.gz MBTYGOTXDJKUMA-YPMHNXCESA-N 1 3 208.349 1.955 20 0 BDADHO CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134884687 358810383 /nfs/dbraw/zinc/81/03/83/358810383.db2.gz MBTYGOTXDJKUMA-YPMHNXCESA-N 1 3 208.349 1.955 20 0 BDADHO C[C@@H]1OCC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000133960160 358774463 /nfs/dbraw/zinc/77/44/63/358774463.db2.gz PTUHJZRPYXOAMY-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000134360114 358787938 /nfs/dbraw/zinc/78/79/38/358787938.db2.gz JSWWDOPBEFBJRN-RFQIPJPRSA-N 1 3 240.391 1.658 20 0 BDADHO CC(C)N(C)CC[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C ZINC000054111219 358853465 /nfs/dbraw/zinc/85/34/65/358853465.db2.gz IXZLIABVPNXCAQ-RDBSUJKOSA-N 1 3 241.423 1.645 20 0 BDADHO CC(C)OCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086402470 358966882 /nfs/dbraw/zinc/96/68/82/358966882.db2.gz NIWHVBPBRHKTPM-NWDGAFQWSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@@H](NCCCC[NH+](C)C)c1nccn1C ZINC000070008188 359038014 /nfs/dbraw/zinc/03/80/14/359038014.db2.gz FVIZGLXXNGCODU-LLVKDONJSA-N 1 3 224.352 1.413 20 0 BDADHO COCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246525960 359144273 /nfs/dbraw/zinc/14/42/73/359144273.db2.gz JCXTUSMOVQFHGD-JSGCOSHPSA-N 1 3 238.375 1.582 20 0 BDADHO COCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246525960 359144278 /nfs/dbraw/zinc/14/42/78/359144278.db2.gz JCXTUSMOVQFHGD-JSGCOSHPSA-N 1 3 238.375 1.582 20 0 BDADHO CSCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000248002166 359251358 /nfs/dbraw/zinc/25/13/58/359251358.db2.gz KNHOPYAVEAHOOQ-VXGBXAGGSA-N 1 3 228.405 1.766 20 0 BDADHO CSCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000248002166 359251362 /nfs/dbraw/zinc/25/13/62/359251362.db2.gz KNHOPYAVEAHOOQ-VXGBXAGGSA-N 1 3 228.405 1.766 20 0 BDADHO COCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248177356 359257960 /nfs/dbraw/zinc/25/79/60/359257960.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO COCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248177356 359257966 /nfs/dbraw/zinc/25/79/66/359257966.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000248177356 359257967 /nfs/dbraw/zinc/25/79/67/359257967.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000248177356 359257972 /nfs/dbraw/zinc/25/79/72/359257972.db2.gz VVVOQGMOJMVPQU-VXGBXAGGSA-N 1 3 212.337 1.049 20 0 BDADHO FCC[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422394 192751016 /nfs/dbraw/zinc/75/10/16/192751016.db2.gz CQFXFGTVBDAXGZ-PREPNJAASA-N 1 3 212.312 1.322 20 0 BDADHO Cc1cc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc[nH+]1 ZINC000450788922 202265591 /nfs/dbraw/zinc/26/55/91/202265591.db2.gz DYUURIIISSXBIU-BETUJISGSA-N 1 3 249.358 1.281 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@@H]1CCOC1 ZINC000163288734 202351802 /nfs/dbraw/zinc/35/18/02/202351802.db2.gz HLBSECYRTHQGMQ-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+](C)CC(C)(C)CO ZINC000451258923 202390535 /nfs/dbraw/zinc/39/05/35/202390535.db2.gz XCCRHEWLUQDAPM-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+](C)CC(C)(C)CO ZINC000451258923 202390538 /nfs/dbraw/zinc/39/05/38/202390538.db2.gz XCCRHEWLUQDAPM-GFCCVEGCSA-N 1 3 228.380 1.421 20 0 BDADHO COC[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000578726407 366632323 /nfs/dbraw/zinc/63/23/23/366632323.db2.gz KJHLZXXHRMRELD-IJLUTSLNSA-N 1 3 214.353 1.247 20 0 BDADHO COc1ccccc1C[C@@H](C)[N@H+](C)CCCN ZINC000088193932 359941552 /nfs/dbraw/zinc/94/15/52/359941552.db2.gz YVIYWKWCGXFEJD-GFCCVEGCSA-N 1 3 236.359 1.907 20 0 BDADHO COc1ccccc1C[C@@H](C)[N@@H+](C)CCCN ZINC000088193932 359941554 /nfs/dbraw/zinc/94/15/54/359941554.db2.gz YVIYWKWCGXFEJD-GFCCVEGCSA-N 1 3 236.359 1.907 20 0 BDADHO COCCOCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089140598 359992970 /nfs/dbraw/zinc/99/29/70/359992970.db2.gz UDIOZNVQLZJIDW-OLZOCXBDSA-N 1 3 244.379 1.147 20 0 BDADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000430778174 192888940 /nfs/dbraw/zinc/88/89/40/192888940.db2.gz PCJVPRNVXWPGBN-WDEREUQCSA-N 1 3 243.395 1.062 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CCC2)CCN1C ZINC000097928129 360382091 /nfs/dbraw/zinc/38/20/91/360382091.db2.gz VHLZMXIQTSRCKU-CHWSQXEVSA-N 1 3 239.407 1.543 20 0 BDADHO CSC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000300829054 360524406 /nfs/dbraw/zinc/52/44/06/360524406.db2.gz JYJXQPKTNWDFCN-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO C[NH2+]CCCN[C@H]1CCc2ccc(OC)cc2C1 ZINC000414862111 200772514 /nfs/dbraw/zinc/77/25/14/200772514.db2.gz USMYEEKDOXEWAM-AWEZNQCLSA-N 1 3 248.370 1.752 20 0 BDADHO CNCCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000414862111 200772517 /nfs/dbraw/zinc/77/25/17/200772517.db2.gz USMYEEKDOXEWAM-AWEZNQCLSA-N 1 3 248.370 1.752 20 0 BDADHO Cc1cc(CNCC[C@@H]2CCC[NH2+]C2)nn1C ZINC000414850968 200769984 /nfs/dbraw/zinc/76/99/84/200769984.db2.gz ZWMADUDWZTVISM-LBPRGKRZSA-N 1 3 236.363 1.208 20 0 BDADHO C[C@@H](C[NH3+])NC[C@@H](C)c1ccc(F)cc1 ZINC000414943084 200784622 /nfs/dbraw/zinc/78/46/22/200784622.db2.gz LJUFRBHWBFWJER-ZJUUUORDSA-N 1 3 210.296 1.866 20 0 BDADHO CCCC[C@H](COC)[NH2+]C[C@@H](C)CN ZINC000414882817 200774352 /nfs/dbraw/zinc/77/43/52/200774352.db2.gz UORRVYCWGRXHIY-WDEREUQCSA-N 1 3 202.342 1.376 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000629387529 361038934 /nfs/dbraw/zinc/03/89/34/361038934.db2.gz FADUVFGJIRCESI-UVLXDEKHSA-N 1 3 237.391 1.342 20 0 BDADHO Cc1ccc(CNCCOCCC[NH3+])cc1C ZINC000629398068 361047643 /nfs/dbraw/zinc/04/76/43/361047643.db2.gz LHBJUDPJNDSZRN-UHFFFAOYSA-N 1 3 236.359 1.758 20 0 BDADHO [NH3+]CCCOCCNCc1ccc(F)c(F)c1 ZINC000629398644 361048865 /nfs/dbraw/zinc/04/88/65/361048865.db2.gz WAUBSKWSQRPHTR-UHFFFAOYSA-N 1 3 244.285 1.420 20 0 BDADHO [NH3+]CCCOCCNCc1ccsc1 ZINC000629398158 361049394 /nfs/dbraw/zinc/04/93/94/361049394.db2.gz NSHVVVDWFBUDHK-UHFFFAOYSA-N 1 3 214.334 1.203 20 0 BDADHO FCC[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000629502182 361102263 /nfs/dbraw/zinc/10/22/63/361102263.db2.gz UXIZGNYLTKUXRX-GFCCVEGCSA-N 1 3 230.327 1.046 20 0 BDADHO CCO[C@H](CN1CC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629509980 361104717 /nfs/dbraw/zinc/10/47/17/361104717.db2.gz DKTQBPIFSMCRTN-WCQYABFASA-N 1 3 226.364 1.343 20 0 BDADHO CCO[C@@H](CN1CC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629509976 361104947 /nfs/dbraw/zinc/10/49/47/361104947.db2.gz DKTQBPIFSMCRTN-AAEUAGOBSA-N 1 3 226.364 1.343 20 0 BDADHO CCC[C@@H](CN[C@@H](C)C1C[NH2+]C1)OCC ZINC000629515372 361112267 /nfs/dbraw/zinc/11/22/67/361112267.db2.gz QMQARVYDDHMVED-JQWIXIFHSA-N 1 3 214.353 1.389 20 0 BDADHO CCC[C@@H](C[NH2+][C@@H](C)C1CNC1)OCC ZINC000629515372 361112270 /nfs/dbraw/zinc/11/22/70/361112270.db2.gz QMQARVYDDHMVED-JQWIXIFHSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H]1CCC[C@H]1CCOC ZINC000629528458 361137085 /nfs/dbraw/zinc/13/70/85/361137085.db2.gz ZPIQQDHNXRCKAF-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH2+]CCOCCN[C@H]1CCc2ccccc21 ZINC000629528514 361137135 /nfs/dbraw/zinc/13/71/35/361137135.db2.gz BCJFVIUPGYADJQ-AWEZNQCLSA-N 1 3 234.343 1.500 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccccc1C ZINC000629529304 361138325 /nfs/dbraw/zinc/13/83/25/361138325.db2.gz YRACVWBDEVFEEF-CYBMUJFWSA-N 1 3 236.359 1.882 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@](C)(CN)C1)C1CC1 ZINC000629530677 361145699 /nfs/dbraw/zinc/14/56/99/361145699.db2.gz NHXYJVDIIDJGRA-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@](C)(CN)C1)C1CC1 ZINC000629530677 361145702 /nfs/dbraw/zinc/14/57/02/361145702.db2.gz NHXYJVDIIDJGRA-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CNCc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000428296035 201005782 /nfs/dbraw/zinc/00/57/82/201005782.db2.gz VETDUEMSKUTNES-GFCCVEGCSA-N 1 3 247.342 1.487 20 0 BDADHO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CNC1 ZINC000622043944 370675562 /nfs/dbraw/zinc/67/55/62/370675562.db2.gz PZKQEVWOYJKVJA-APPZFPTMSA-N 1 3 204.264 1.229 20 0 BDADHO CC[C@H]([NH2+]CC[C@H](C)N)[C@@H]1CCOC1 ZINC000622045338 370679774 /nfs/dbraw/zinc/67/97/74/370679774.db2.gz OAPWUWNMDFTJSG-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO C[C@@H]([NH2+]CC[C@H](C)N)C1CCOCC1 ZINC000622045679 370679946 /nfs/dbraw/zinc/67/99/46/370679946.db2.gz NQAQZRPLRNQSPN-VHSXEESVSA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@H](C(=O)N1CCC([NH3+])CC1)N(CC)CC ZINC000428753104 201042053 /nfs/dbraw/zinc/04/20/53/201042053.db2.gz PIBCHGLJYKXCRX-GFCCVEGCSA-N 1 3 241.379 1.057 20 0 BDADHO Cc1noc(C)c1CCNC[C@]1(C)CC[NH2+]C1 ZINC000579353619 366767914 /nfs/dbraw/zinc/76/79/14/366767914.db2.gz GCMGXFRWCMGCEP-ZDUSSCGKSA-N 1 3 237.347 1.423 20 0 BDADHO C[C@H](NCCOCCC[NH3+])c1ccoc1 ZINC000629535815 361410466 /nfs/dbraw/zinc/41/04/66/361410466.db2.gz FJVCUTVWOAIKBF-JTQLQIEISA-N 1 3 212.293 1.296 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H]2C)C1 ZINC000629543579 361411922 /nfs/dbraw/zinc/41/19/22/361411922.db2.gz DFLKPQMRJKBZBW-IRCOFANPSA-N 1 3 212.337 1.284 20 0 BDADHO CCCN(C)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000429629961 201123913 /nfs/dbraw/zinc/12/39/13/201123913.db2.gz WQJZZORTBMQVJI-GFCCVEGCSA-N 1 3 243.395 1.160 20 0 BDADHO CCO[C@@H](CN[C@@H](C[NH3+])C(C)(C)C)C1CC1 ZINC000629534721 361408555 /nfs/dbraw/zinc/40/85/55/361408555.db2.gz AYTVTPFZCVZAMX-RYUDHWBXSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1ccccc1F ZINC000629535216 361408564 /nfs/dbraw/zinc/40/85/64/361408564.db2.gz BYUDLJAFFAOHCK-LLVKDONJSA-N 1 3 240.322 1.842 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629547435 361430451 /nfs/dbraw/zinc/43/04/51/361430451.db2.gz JTXZTLGODVXXIV-CRWXNKLISA-N 1 3 238.375 1.661 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CO[C@H](C2CC2)C1 ZINC000629547435 361430455 /nfs/dbraw/zinc/43/04/55/361430455.db2.gz JTXZTLGODVXXIV-CRWXNKLISA-N 1 3 238.375 1.661 20 0 BDADHO C1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CN1 ZINC000629553037 361438128 /nfs/dbraw/zinc/43/81/28/361438128.db2.gz HKCRTAXGVWBOMN-REWJHTLYSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCC12CC2)C1CNC1 ZINC000629554412 361440462 /nfs/dbraw/zinc/44/04/62/361440462.db2.gz IENGDTLYYZPPGT-CMPLNLGQSA-N 1 3 208.349 1.764 20 0 BDADHO CN1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000629551809 361444091 /nfs/dbraw/zinc/44/40/91/361444091.db2.gz XSHMJWSYGFSMPP-GLQYFDAESA-N 1 3 245.370 1.815 20 0 BDADHO CCc1ccc([C@H](C)NCCOCCC[NH3+])o1 ZINC000629542189 361417898 /nfs/dbraw/zinc/41/78/98/361417898.db2.gz WMHJOFMJHSGIOK-NSHDSACASA-N 1 3 240.347 1.858 20 0 BDADHO Cc1ccc(F)cc1CN(C)CCOCC[NH3+] ZINC000629578605 361464792 /nfs/dbraw/zinc/46/47/92/361464792.db2.gz UBOARJOTIXYEKS-UHFFFAOYSA-N 1 3 240.322 1.541 20 0 BDADHO COCC[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585218 361474457 /nfs/dbraw/zinc/47/44/57/361474457.db2.gz NODJVGCPFNRYPL-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO C[C@@]1(CNCC2=CCCOC2)CCC[NH2+]C1 ZINC000629647723 361537406 /nfs/dbraw/zinc/53/74/06/361537406.db2.gz GOCXXNBECLZMAK-CYBMUJFWSA-N 1 3 224.348 1.312 20 0 BDADHO C[C@@]1(C[NH2+]CC2=CCCOC2)CCCNC1 ZINC000629647723 361537411 /nfs/dbraw/zinc/53/74/11/361537411.db2.gz GOCXXNBECLZMAK-CYBMUJFWSA-N 1 3 224.348 1.312 20 0 BDADHO COC1(CNC[C@@H]([NH3+])C2CC2)CCCC1 ZINC000629648095 361539149 /nfs/dbraw/zinc/53/91/49/361539149.db2.gz ODKUCWWEPPRZSK-LLVKDONJSA-N 1 3 212.337 1.273 20 0 BDADHO C1=C(C[NH2+][C@H]2CCNC3(CCC3)C2)COCC1 ZINC000629647812 361539317 /nfs/dbraw/zinc/53/93/17/361539317.db2.gz AYJOVCQAOHQGGK-ZDUSSCGKSA-N 1 3 236.359 1.597 20 0 BDADHO CCC(N)(CC)C[NH2+]CC1=CCCOC1 ZINC000629648122 361539860 /nfs/dbraw/zinc/53/98/60/361539860.db2.gz OXNJLNTZEXGGMQ-UHFFFAOYSA-N 1 3 212.337 1.440 20 0 BDADHO NC1(C[NH2+]CC2=CCCOC2)CCCCCC1 ZINC000629648178 361541037 /nfs/dbraw/zinc/54/10/37/361541037.db2.gz QPHPWDOXVREFOR-UHFFFAOYSA-N 1 3 238.375 1.974 20 0 BDADHO [NH3+]C[C@@H](NCC1=CCCOC1)C1CCCC1 ZINC000629648585 361542393 /nfs/dbraw/zinc/54/23/93/361542393.db2.gz RREUVKXGFNHVLP-CYBMUJFWSA-N 1 3 224.348 1.440 20 0 BDADHO C[C@@H]1NCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000629671560 361591171 /nfs/dbraw/zinc/59/11/71/361591171.db2.gz AEBWOSGWSPOTNQ-IVZWLZJFSA-N 1 3 200.351 1.080 20 0 BDADHO CCOCCN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000161908258 201241803 /nfs/dbraw/zinc/24/18/03/201241803.db2.gz NKUDENWXOTXFOW-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CCOCCN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161908258 201241806 /nfs/dbraw/zinc/24/18/06/201241806.db2.gz NKUDENWXOTXFOW-VXGBXAGGSA-N 1 3 214.353 1.343 20 0 BDADHO CC(C)[C@@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607074 364330915 /nfs/dbraw/zinc/33/09/15/364330915.db2.gz BZUCNPKEKXYAAE-CYBMUJFWSA-N 1 3 245.330 1.382 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000573338667 364803760 /nfs/dbraw/zinc/80/37/60/364803760.db2.gz VDMVNQCAMIWVRZ-NDBYEHHHSA-N 1 3 226.364 1.519 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000580514357 364776720 /nfs/dbraw/zinc/77/67/20/364776720.db2.gz NPXYLMYZZFUHDW-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000580514357 364776727 /nfs/dbraw/zinc/77/67/27/364776727.db2.gz NPXYLMYZZFUHDW-OLZOCXBDSA-N 1 3 228.380 1.685 20 0 BDADHO CN(C[C@@H]1CCCC[C@H]1O)CC(C)(C)C[NH3+] ZINC000328191095 364817103 /nfs/dbraw/zinc/81/71/03/364817103.db2.gz PKWHZRJNKJCTCF-NWDGAFQWSA-N 1 3 228.380 1.454 20 0 BDADHO [NH3+]CCCCN1CCN(Cc2ccco2)CC1 ZINC000019852858 181376269 /nfs/dbraw/zinc/37/62/69/181376269.db2.gz YQNLLZUPIUNWGX-UHFFFAOYSA-N 1 3 237.347 1.136 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)nc1 ZINC000574822634 365153881 /nfs/dbraw/zinc/15/38/81/365153881.db2.gz MOKKYJXCCJBTQT-TZMCWYRMSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1nccn1CC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000574830682 365155525 /nfs/dbraw/zinc/15/55/25/365155525.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000574830682 365155528 /nfs/dbraw/zinc/15/55/28/365155528.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000574830682 365155531 /nfs/dbraw/zinc/15/55/31/365155531.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 3 248.374 1.360 20 0 BDADHO Cc1nccn1CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000574830682 365155534 /nfs/dbraw/zinc/15/55/34/365155534.db2.gz GLVIYAWTRGKEPY-UONOGXRCSA-N 1 3 248.374 1.360 20 0 BDADHO CC[C@H]1CN(C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000574807134 365147322 /nfs/dbraw/zinc/14/73/22/365147322.db2.gz PMAJDCLDVZDZIC-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@H]1CN(C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000574807134 365147328 /nfs/dbraw/zinc/14/73/28/365147328.db2.gz PMAJDCLDVZDZIC-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H](C[NH2+]C(C1CC1)C1CC1)CN(C)C ZINC000379778689 365249434 /nfs/dbraw/zinc/24/94/34/365249434.db2.gz FBWPSICEQGXCFS-SNVBAGLBSA-N 1 3 210.365 1.962 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000575195354 365237082 /nfs/dbraw/zinc/23/70/82/365237082.db2.gz HNPMFDNHLAOCEE-SDDRHHMPSA-N 1 3 214.353 1.519 20 0 BDADHO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000575195353 365237527 /nfs/dbraw/zinc/23/75/27/365237527.db2.gz HNPMFDNHLAOCEE-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1ccsc1 ZINC000575774520 365360497 /nfs/dbraw/zinc/36/04/97/365360497.db2.gz RJAJQEIEAAGYHO-JTQLQIEISA-N 1 3 212.362 1.878 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576002986 365445451 /nfs/dbraw/zinc/44/54/51/365445451.db2.gz IHTONSIYTFQQKK-GWOFURMSSA-N 1 3 200.326 1.269 20 0 BDADHO CCCN1CCC([NH2+]CC2(F)CC2)CC1 ZINC000380358991 367191350 /nfs/dbraw/zinc/19/13/50/367191350.db2.gz XNMPMSFBRQAWFL-UHFFFAOYSA-N 1 3 214.328 1.953 20 0 BDADHO C[C@@H]1[C@H](C)OCCN1CC[C@H]1CCC[NH2+]C1 ZINC000380534396 367231061 /nfs/dbraw/zinc/23/10/61/367231061.db2.gz MXDOHBTWURBMOE-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@H](C)[C@@H]2C)CC[NH2+]1 ZINC000380565364 367243786 /nfs/dbraw/zinc/24/37/86/367243786.db2.gz OJDMCLRZBCSMGE-YVECIDJPSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc2c1CCNC2 ZINC000581418796 367460610 /nfs/dbraw/zinc/46/06/10/367460610.db2.gz ZTLRDAWRPHTSSN-NXEZZACHSA-N 1 3 247.342 1.254 20 0 BDADHO C(CNC1CC1)C[NH2+][C@@H]1CCCSC1 ZINC000382549716 367537013 /nfs/dbraw/zinc/53/70/13/367537013.db2.gz DHNAZLOFDKHXED-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO C(CN[C@@H]1CCCSC1)C[NH2+]C1CC1 ZINC000382549716 367537015 /nfs/dbraw/zinc/53/70/15/367537015.db2.gz DHNAZLOFDKHXED-LLVKDONJSA-N 1 3 214.378 1.614 20 0 BDADHO COC[C@@H](C)C[NH2+]CCCNC1CC1 ZINC000382550772 367537114 /nfs/dbraw/zinc/53/71/14/367537114.db2.gz UIQRMKMZLGXMMT-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383248435 367609708 /nfs/dbraw/zinc/60/97/08/367609708.db2.gz WBMOZCKPTUJRBD-NXEZZACHSA-N 1 3 218.291 1.749 20 0 BDADHO C[C@H]([NH3+])c1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000581606410 367630089 /nfs/dbraw/zinc/63/00/89/367630089.db2.gz JECNJLZQHRUKJC-JTQLQIEISA-N 1 3 247.342 1.204 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)[C@@H](C)O1 ZINC000384735286 367723549 /nfs/dbraw/zinc/72/35/49/367723549.db2.gz KMSLESSIRDNJGZ-LBELIVKGSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000384776879 367729979 /nfs/dbraw/zinc/72/99/79/367729979.db2.gz VRGJBJFVBKPAMN-UTUOFQBUSA-N 1 3 214.353 1.255 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000566088194 325992182 /nfs/dbraw/zinc/99/21/82/325992182.db2.gz BXSGZLRJYNETCZ-IJLUTSLNSA-N 1 3 214.353 1.530 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962693 367766629 /nfs/dbraw/zinc/76/66/29/367766629.db2.gz SIFVIQTYQHNOGB-RFGFWPKPSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962693 367766637 /nfs/dbraw/zinc/76/66/37/367766637.db2.gz SIFVIQTYQHNOGB-RFGFWPKPSA-N 1 3 240.391 1.872 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384962693 367766644 /nfs/dbraw/zinc/76/66/44/367766644.db2.gz SIFVIQTYQHNOGB-RFGFWPKPSA-N 1 3 240.391 1.872 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](C)O1 ZINC000385224283 367810987 /nfs/dbraw/zinc/81/09/87/367810987.db2.gz SXHNDPGLPRQNQY-BJJPWKGXSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](C)O1 ZINC000385224283 367810989 /nfs/dbraw/zinc/81/09/89/367810989.db2.gz SXHNDPGLPRQNQY-BJJPWKGXSA-N 1 3 238.375 1.769 20 0 BDADHO COc1ccc(CCN(C)C2CC([NH3+])C2)cc1 ZINC000385051677 367780885 /nfs/dbraw/zinc/78/08/85/367780885.db2.gz SSVDIGAHMBAIBW-UHFFFAOYSA-N 1 3 234.343 1.659 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000386136540 367917517 /nfs/dbraw/zinc/91/75/17/367917517.db2.gz PSJWPCNQLTZBIR-YVECIDJPSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H](NCCC[C@H](C)CO)[C@H]1CCCC[NH2+]1 ZINC000386592538 367998306 /nfs/dbraw/zinc/99/83/06/367998306.db2.gz RTIQGVUEINFNPF-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H]1CCCNC1 ZINC000581997174 368098288 /nfs/dbraw/zinc/09/82/88/368098288.db2.gz FNXQXMHGRHYGOA-YHQUGGNUSA-N 1 3 238.375 1.532 20 0 BDADHO CSCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086404304 368881458 /nfs/dbraw/zinc/88/14/58/368881458.db2.gz FFCQHCKSBDOJED-UWVGGRQHSA-N 1 3 202.367 1.599 20 0 BDADHO CSCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086404308 368881515 /nfs/dbraw/zinc/88/15/15/368881515.db2.gz FFCQHCKSBDOJED-ZJUUUORDSA-N 1 3 202.367 1.599 20 0 BDADHO CN(C)CCSCC1CC[NH2+]CC1 ZINC000087417179 368893124 /nfs/dbraw/zinc/89/31/24/368893124.db2.gz ZLYHSSBBGVUCER-UHFFFAOYSA-N 1 3 202.367 1.281 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623657181 368997959 /nfs/dbraw/zinc/99/79/59/368997959.db2.gz KYKMQIYUBKZVCE-AVGNSLFASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657181 368997963 /nfs/dbraw/zinc/99/79/63/368997963.db2.gz KYKMQIYUBKZVCE-AVGNSLFASA-N 1 3 226.364 1.485 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCOC2)C1 ZINC000623655776 368991323 /nfs/dbraw/zinc/99/13/23/368991323.db2.gz FCVCHOGWKOABFT-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCOC2)C1 ZINC000623655776 368991325 /nfs/dbraw/zinc/99/13/25/368991325.db2.gz FCVCHOGWKOABFT-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCOC2)C1 ZINC000623655776 368991327 /nfs/dbraw/zinc/99/13/27/368991327.db2.gz FCVCHOGWKOABFT-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CO[C@H](CN1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000631836831 369083824 /nfs/dbraw/zinc/08/38/24/369083824.db2.gz HQWKNAMIYXMLGD-BPLDGKMQSA-N 1 3 248.370 1.901 20 0 BDADHO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCCN1 ZINC000402138839 369380081 /nfs/dbraw/zinc/38/00/81/369380081.db2.gz LITXSXRJVJBONK-NOOOWODRSA-N 1 3 212.337 1.284 20 0 BDADHO Cn1cncc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459727718 203341343 /nfs/dbraw/zinc/34/13/43/203341343.db2.gz HGIOEYAKCFXRSF-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO Cn1cncc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459727718 203341347 /nfs/dbraw/zinc/34/13/47/203341347.db2.gz HGIOEYAKCFXRSF-GFCCVEGCSA-N 1 3 236.363 1.242 20 0 BDADHO CN1CCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166317371 203388416 /nfs/dbraw/zinc/38/84/16/203388416.db2.gz WMABSQNIQCQQLA-MGPQQGTHSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166317371 203388419 /nfs/dbraw/zinc/38/84/19/203388419.db2.gz WMABSQNIQCQQLA-MGPQQGTHSA-N 1 3 237.391 1.297 20 0 BDADHO CC[NH2+]CC1CCN(CC2(F)CC2)CC1 ZINC000309635166 370237565 /nfs/dbraw/zinc/23/75/65/370237565.db2.gz MENFLUCADHLIGN-UHFFFAOYSA-N 1 3 214.328 1.810 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC(C)(CC)CC1 ZINC000310462305 370346929 /nfs/dbraw/zinc/34/69/29/370346929.db2.gz BBFHWBQOFNYIJN-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(C)(CC)CC1 ZINC000310462305 370346931 /nfs/dbraw/zinc/34/69/31/370346931.db2.gz BBFHWBQOFNYIJN-CYBMUJFWSA-N 1 3 242.407 1.811 20 0 BDADHO C[C@H](CN[C@H](C)[C@H]1CCCCO1)C[NH+](C)C ZINC000623988047 371220905 /nfs/dbraw/zinc/22/09/05/371220905.db2.gz XQSUCWFQJIASAI-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H](CCCCO)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122164 371322881 /nfs/dbraw/zinc/32/28/81/371322881.db2.gz LIXDBDKMRTXLPI-UONOGXRCSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624122900 371325150 /nfs/dbraw/zinc/32/51/50/371325150.db2.gz AVLLPKVRGDJPOX-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO COc1cccc(CN[C@@H](C)CC[NH3+])c1 ZINC000220499801 134305657 /nfs/dbraw/zinc/30/56/57/134305657.db2.gz HECNJNGTVGPIAU-JTQLQIEISA-N 1 3 208.305 1.522 20 0 BDADHO CCSCCN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000228674885 372067282 /nfs/dbraw/zinc/06/72/82/372067282.db2.gz SLELGMBKDDXUQA-WDEREUQCSA-N 1 3 216.394 1.799 20 0 BDADHO OC[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000631670930 372497266 /nfs/dbraw/zinc/49/72/66/372497266.db2.gz YVALBRGOZZKYKF-XBXGTLAGSA-N 1 3 238.375 1.221 20 0 BDADHO CNC[C@@H]1CCC[N@@H+]1C[C@H]1CCO[C@H]1C ZINC000631822219 372584504 /nfs/dbraw/zinc/58/45/04/372584504.db2.gz WVOQBYIPPWCDDK-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CNC[C@@H]1CCC[N@H+]1C[C@H]1CCO[C@H]1C ZINC000631822219 372584508 /nfs/dbraw/zinc/58/45/08/372584508.db2.gz WVOQBYIPPWCDDK-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821375 372595395 /nfs/dbraw/zinc/59/53/95/372595395.db2.gz WJROGGZVZZHCAB-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000631821375 372595400 /nfs/dbraw/zinc/59/54/00/372595400.db2.gz WJROGGZVZZHCAB-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCO[C@H]2C)C1 ZINC000631821375 372595406 /nfs/dbraw/zinc/59/54/06/372595406.db2.gz WJROGGZVZZHCAB-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)C1CCC1 ZINC000631836521 372622781 /nfs/dbraw/zinc/62/27/81/372622781.db2.gz ARAIZMLESXEYJE-RAIGVLPGSA-N 1 3 226.364 1.328 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)C1CCC1 ZINC000631836521 372622787 /nfs/dbraw/zinc/62/27/87/372622787.db2.gz ARAIZMLESXEYJE-RAIGVLPGSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000631836603 372625363 /nfs/dbraw/zinc/62/53/63/372625363.db2.gz CJXHFGCPMNXMFA-ZYHUDNBSSA-N 1 3 210.365 1.949 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1CN ZINC000631836603 372625371 /nfs/dbraw/zinc/62/53/71/372625371.db2.gz CJXHFGCPMNXMFA-ZYHUDNBSSA-N 1 3 210.365 1.949 20 0 BDADHO C[C@H]1OCC[C@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867434 372669445 /nfs/dbraw/zinc/66/94/45/372669445.db2.gz UPYRRWQBHOCOOB-XQHKEYJVSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000631867431 372669854 /nfs/dbraw/zinc/66/98/54/372669854.db2.gz UPYRRWQBHOCOOB-LOWDOPEQSA-N 1 3 224.348 1.143 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459734496 206013435 /nfs/dbraw/zinc/01/34/35/206013435.db2.gz CMJJGXCPQQZYMX-RQJABVFESA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459734496 206013439 /nfs/dbraw/zinc/01/34/39/206013439.db2.gz CMJJGXCPQQZYMX-RQJABVFESA-N 1 3 238.375 1.770 20 0 BDADHO CCCC[C@@H](N)C(=O)NCCC[NH+](CC)CC ZINC000037619243 168967132 /nfs/dbraw/zinc/96/71/32/168967132.db2.gz NUSZFQFIQNNCER-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO OCC[N@H+](C[C@@H]1CCCNC1)C1CCCCC1 ZINC000132298532 183067984 /nfs/dbraw/zinc/06/79/84/183067984.db2.gz REWYRPBOHJOMDU-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO OCC[N@@H+](C[C@@H]1CCCNC1)C1CCCCC1 ZINC000132298532 183067986 /nfs/dbraw/zinc/06/79/86/183067986.db2.gz REWYRPBOHJOMDU-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO OC[C@@H]1CCCCN(CCC[NH+]2CCCC2)C1 ZINC000372885866 183115787 /nfs/dbraw/zinc/11/57/87/183115787.db2.gz WSXFNLNVDHHMIO-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO OC[C@H]1[C@@H]2C[N@H+](CCCN3CCCCC3)C[C@H]12 ZINC000366439814 183132766 /nfs/dbraw/zinc/13/27/66/183132766.db2.gz OAHYETUKPKNJIX-WDNDVIMCSA-N 1 3 238.375 1.033 20 0 BDADHO OC[C@H]1[C@@H]2C[N@@H+](CCCN3CCCCC3)C[C@H]12 ZINC000366439814 183132768 /nfs/dbraw/zinc/13/27/68/183132768.db2.gz OAHYETUKPKNJIX-WDNDVIMCSA-N 1 3 238.375 1.033 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC000336707418 169077291 /nfs/dbraw/zinc/07/72/91/169077291.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000336707418 169077293 /nfs/dbraw/zinc/07/72/93/169077293.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336707418 169077294 /nfs/dbraw/zinc/07/72/94/169077294.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCOC2)C1 ZINC000336707418 169077295 /nfs/dbraw/zinc/07/72/95/169077295.db2.gz ORXNESXIJPMFSR-ZIAGYGMSSA-N 1 3 240.391 1.687 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC000336701869 169078661 /nfs/dbraw/zinc/07/86/61/169078661.db2.gz JYTVYSSVAOGTKD-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC000336701869 169078662 /nfs/dbraw/zinc/07/86/62/169078662.db2.gz JYTVYSSVAOGTKD-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCC[NH+]1CCC(NCCn2ccnc2)CC1 ZINC000041063689 169188514 /nfs/dbraw/zinc/18/85/14/169188514.db2.gz NNYNXTVXOSFAKQ-UHFFFAOYSA-N 1 3 236.363 1.347 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000129223703 169189719 /nfs/dbraw/zinc/18/97/19/169189719.db2.gz UUMWCLIHJGMBGR-CHWSQXEVSA-N 1 3 240.391 1.610 20 0 BDADHO CCCN1CCC[C@@H]1C[NH2+]C1CCN(C)CC1 ZINC000353138990 169196395 /nfs/dbraw/zinc/19/63/95/169196395.db2.gz NJMPMRPSESQCKJ-CQSZACIVSA-N 1 3 239.407 1.545 20 0 BDADHO c1ccc(CCN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000031994560 183392724 /nfs/dbraw/zinc/39/27/24/183392724.db2.gz CCUYKVBNXWUEKF-OAHLLOKOSA-N 1 3 230.355 1.915 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378756 169389452 /nfs/dbraw/zinc/38/94/52/169389452.db2.gz IVWHCQIKCFKMCA-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378756 169389453 /nfs/dbraw/zinc/38/94/53/169389453.db2.gz IVWHCQIKCFKMCA-GFCCVEGCSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H](N)C(=O)NCCCC[NH+](CC)CC ZINC000083372046 169389922 /nfs/dbraw/zinc/38/99/22/169389922.db2.gz MIZDZSHYVQOXRX-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO CCC[C@@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236992537 169391221 /nfs/dbraw/zinc/39/12/21/169391221.db2.gz UYZPWHXFGLZTFT-GHMZBOCLSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000226745146 134371029 /nfs/dbraw/zinc/37/10/29/134371029.db2.gz DHBJZWXZOPLNFW-STQMWFEESA-N 1 3 228.380 1.733 20 0 BDADHO Cc1c[nH+]ccc1NC1CCN(C)CC1 ZINC000070046987 383859909 /nfs/dbraw/zinc/85/99/09/383859909.db2.gz IHHGDJXHFDBOOA-UHFFFAOYSA-N 1 3 205.305 1.896 20 0 BDADHO CC[NH+]1CCC(NC[C@@H](O)c2ccccc2)CC1 ZINC000035112689 383831893 /nfs/dbraw/zinc/83/18/93/383831893.db2.gz IOEHAYAYHUCYJN-OAHLLOKOSA-N 1 3 248.370 1.794 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000300055658 383973557 /nfs/dbraw/zinc/97/35/57/383973557.db2.gz JMGJTQBPYGUTDS-LPWJVIDDSA-N 1 3 224.348 1.238 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401787177 384005002 /nfs/dbraw/zinc/00/50/02/384005002.db2.gz LMTMTZNFLNGVDF-RYUDHWBXSA-N 1 3 214.353 1.484 20 0 BDADHO C[C@H](CN[C@@H]1CO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000401873369 384185260 /nfs/dbraw/zinc/18/52/60/384185260.db2.gz DAPKGXSNIDGVKA-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CO[C@@H](C)C1)CN1CCCC1 ZINC000401873369 384185263 /nfs/dbraw/zinc/18/52/63/384185263.db2.gz DAPKGXSNIDGVKA-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO Cc1csc(CNC[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000235385220 384181195 /nfs/dbraw/zinc/18/11/95/384181195.db2.gz HIWQTFBVBBFWAG-MWLCHTKSSA-N 1 3 239.388 1.929 20 0 BDADHO C[C@H](CN[C@H]1CO[C@H](C)C1)C[NH+]1CCCC1 ZINC000401873376 384185905 /nfs/dbraw/zinc/18/59/05/384185905.db2.gz DAPKGXSNIDGVKA-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](C[NH2+][C@H]1CO[C@H](C)C1)CN1CCCC1 ZINC000401873376 384185907 /nfs/dbraw/zinc/18/59/07/384185907.db2.gz DAPKGXSNIDGVKA-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H](C[NH3+])N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000237444609 384202467 /nfs/dbraw/zinc/20/24/67/384202467.db2.gz RUBNPIMIOAYDKZ-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000401899548 384241140 /nfs/dbraw/zinc/24/11/40/384241140.db2.gz PPAHQHUBRRYUSZ-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CO[C@@H](C)C2)C1 ZINC000401899548 384241145 /nfs/dbraw/zinc/24/11/45/384241145.db2.gz PPAHQHUBRRYUSZ-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CO[C@@H](C)C2)C1 ZINC000401899548 384241150 /nfs/dbraw/zinc/24/11/50/384241150.db2.gz PPAHQHUBRRYUSZ-QJPTWQEYSA-N 1 3 212.337 1.095 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000336615660 384236612 /nfs/dbraw/zinc/23/66/12/384236612.db2.gz MYARYYCRAIKTLE-LBPRGKRZSA-N 1 3 240.391 1.611 20 0 BDADHO COC1(C[N@@H+]2C[C@@H](CN)C[C@H]2C)CCCC1 ZINC000319230004 384216567 /nfs/dbraw/zinc/21/65/67/384216567.db2.gz VBNXAYLFBAIROM-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO COC1(C[N@H+]2C[C@@H](CN)C[C@H]2C)CCCC1 ZINC000319230004 384216571 /nfs/dbraw/zinc/21/65/71/384216571.db2.gz VBNXAYLFBAIROM-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO CSCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000173745181 384263775 /nfs/dbraw/zinc/26/37/75/384263775.db2.gz JWGZJXYNHUEUBT-NSHDSACASA-N 1 3 216.394 1.623 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](C)CN(C)C ZINC000168746905 384308292 /nfs/dbraw/zinc/30/82/92/384308292.db2.gz UVAHBPOQZYWAKE-IHRRRGAJSA-N 1 3 241.423 1.837 20 0 BDADHO CCOCCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000083549998 384312174 /nfs/dbraw/zinc/31/21/74/384312174.db2.gz WYRRSQJASKEJAZ-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO Cc1cnn(C)c1CNCC1CC[NH+](C)CC1 ZINC000352765601 384318664 /nfs/dbraw/zinc/31/86/64/384318664.db2.gz PRPKEGOXBSPKRE-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000173887805 384278970 /nfs/dbraw/zinc/27/89/70/384278970.db2.gz QONSYUWEQSGOGJ-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000173887805 384278975 /nfs/dbraw/zinc/27/89/75/384278975.db2.gz QONSYUWEQSGOGJ-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](N)C[C@H]1C ZINC000300376711 384359313 /nfs/dbraw/zinc/35/93/13/384359313.db2.gz JXEBAUYMGZKLKM-KXNHARMFSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](N)C[C@H]1C ZINC000300376711 384359318 /nfs/dbraw/zinc/35/93/18/384359318.db2.gz JXEBAUYMGZKLKM-KXNHARMFSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000300376711 384359324 /nfs/dbraw/zinc/35/93/24/384359324.db2.gz JXEBAUYMGZKLKM-KXNHARMFSA-N 1 3 212.337 1.223 20 0 BDADHO CSCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084222147 384377995 /nfs/dbraw/zinc/37/79/95/384377995.db2.gz LCQVAGOWDGZYGU-NXEZZACHSA-N 1 3 202.367 1.457 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cn[nH]c1 ZINC000305973238 384451137 /nfs/dbraw/zinc/45/11/37/384451137.db2.gz QCROLWFFRFJQQL-WDEREUQCSA-N 1 3 234.347 1.545 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CO[C@@H](C)C2)C1 ZINC000647175055 384470111 /nfs/dbraw/zinc/47/01/11/384470111.db2.gz VULXZARSXZTNAU-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2CO[C@@H](C)C2)C1 ZINC000647175055 384470114 /nfs/dbraw/zinc/47/01/14/384470114.db2.gz VULXZARSXZTNAU-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000647175055 384470118 /nfs/dbraw/zinc/47/01/18/384470118.db2.gz VULXZARSXZTNAU-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000085128541 384491725 /nfs/dbraw/zinc/49/17/25/384491725.db2.gz PIRXISANJDUUPT-UTUOFQBUSA-N 1 3 214.353 1.112 20 0 BDADHO COCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150815966 384515487 /nfs/dbraw/zinc/51/54/87/384515487.db2.gz NMMFYUSTYJQVJU-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO COCCC[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150815966 384515492 /nfs/dbraw/zinc/51/54/92/384515492.db2.gz NMMFYUSTYJQVJU-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO COCCC[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000150815966 384515497 /nfs/dbraw/zinc/51/54/97/384515497.db2.gz NMMFYUSTYJQVJU-CYBMUJFWSA-N 1 3 226.364 1.441 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000647179661 384532101 /nfs/dbraw/zinc/53/21/01/384532101.db2.gz KCGNELDTOIMMPQ-RDBSUJKOSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647179661 384532104 /nfs/dbraw/zinc/53/21/04/384532104.db2.gz KCGNELDTOIMMPQ-RDBSUJKOSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647179661 384532110 /nfs/dbraw/zinc/53/21/10/384532110.db2.gz KCGNELDTOIMMPQ-RDBSUJKOSA-N 1 3 240.391 1.874 20 0 BDADHO C([NH2+][C@@H]1CCNC1)[C@H]1CC2CCC1CC2 ZINC000335074134 384614798 /nfs/dbraw/zinc/61/47/98/384614798.db2.gz BOAYVGMIQAGAAB-FIYWTHMPSA-N 1 3 208.349 1.764 20 0 BDADHO CC1(F)CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000258787536 384659368 /nfs/dbraw/zinc/65/93/68/384659368.db2.gz GLTYYRDNMQWTHC-LLVKDONJSA-N 1 3 214.328 1.810 20 0 BDADHO CC1(F)CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000258787536 384659379 /nfs/dbraw/zinc/65/93/79/384659379.db2.gz GLTYYRDNMQWTHC-LLVKDONJSA-N 1 3 214.328 1.810 20 0 BDADHO C[NH+]1CCC(CN[C@H]2CCn3ccnc32)CC1 ZINC000335953904 384737495 /nfs/dbraw/zinc/73/74/95/384737495.db2.gz GXVIGQLBZFOWRO-LBPRGKRZSA-N 1 3 234.347 1.259 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000300396569 384749976 /nfs/dbraw/zinc/74/99/76/384749976.db2.gz FJHAHZZJRYMPKO-WHOHXGKFSA-N 1 3 246.420 1.206 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000300396569 384749982 /nfs/dbraw/zinc/74/99/82/384749982.db2.gz FJHAHZZJRYMPKO-WHOHXGKFSA-N 1 3 246.420 1.206 20 0 BDADHO COC(C)(C)[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000300802925 384955648 /nfs/dbraw/zinc/95/56/48/384955648.db2.gz APPNRHUXRLDUKJ-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO COC(C)(C)[C@@H](C)NCCC[NH+]1CCCC1 ZINC000300802925 384955654 /nfs/dbraw/zinc/95/56/54/384955654.db2.gz APPNRHUXRLDUKJ-GFCCVEGCSA-N 1 3 228.380 1.875 20 0 BDADHO C[N@H+](CCCN[C@@H]1CCOC1)Cc1ccccc1 ZINC000104063429 384924184 /nfs/dbraw/zinc/92/41/84/384924184.db2.gz HWCPJWLFPNIDIX-OAHLLOKOSA-N 1 3 248.370 1.887 20 0 BDADHO C[N@@H+](CCCN[C@@H]1CCOC1)Cc1ccccc1 ZINC000104063429 384924192 /nfs/dbraw/zinc/92/41/92/384924192.db2.gz HWCPJWLFPNIDIX-OAHLLOKOSA-N 1 3 248.370 1.887 20 0 BDADHO C[C@@H](O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000257771799 384928045 /nfs/dbraw/zinc/92/80/45/384928045.db2.gz NUDXLNCMMHYRMG-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000257771799 384928052 /nfs/dbraw/zinc/92/80/52/384928052.db2.gz NUDXLNCMMHYRMG-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@@H](O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000257771799 384928056 /nfs/dbraw/zinc/92/80/56/384928056.db2.gz NUDXLNCMMHYRMG-VXGBXAGGSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000644525404 384935826 /nfs/dbraw/zinc/93/58/26/384935826.db2.gz GUVIKIVAGXVGSD-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H](O)CNC[C@H](C)C[NH+]1CCCCC1 ZINC000644525404 384935833 /nfs/dbraw/zinc/93/58/33/384935833.db2.gz GUVIKIVAGXVGSD-QWHCGFSZSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)(CN[C@H]1CCC[C@H]1[NH3+])c1cccnc1 ZINC000259221232 384960469 /nfs/dbraw/zinc/96/04/69/384960469.db2.gz XOLHKZZQMZULET-OLZOCXBDSA-N 1 3 233.359 1.829 20 0 BDADHO Cc1c(CN[C@H]2CCCC[C@H]2C[NH3+])cnn1C ZINC000226305837 384967262 /nfs/dbraw/zinc/96/72/62/384967262.db2.gz JWERTSAQBZOYCD-AAEUAGOBSA-N 1 3 236.363 1.336 20 0 BDADHO Cc1nc(CCNC[C@H]2CCC[NH2+]C2)cs1 ZINC000226316266 384972904 /nfs/dbraw/zinc/97/29/04/384972904.db2.gz UENRLMXKDJVKFY-NSHDSACASA-N 1 3 239.388 1.583 20 0 BDADHO Cc1nc(CC[NH2+]C[C@H]2CCCNC2)cs1 ZINC000226316266 384972909 /nfs/dbraw/zinc/97/29/09/384972909.db2.gz UENRLMXKDJVKFY-NSHDSACASA-N 1 3 239.388 1.583 20 0 BDADHO CO[C@H]1CC[N@H+](CCc2ccccc2)[C@@H](CN)C1 ZINC000226411535 385011853 /nfs/dbraw/zinc/01/18/53/385011853.db2.gz WHCNBHTWNJPIHV-CABCVRRESA-N 1 3 248.370 1.667 20 0 BDADHO CO[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H](CN)C1 ZINC000226411535 385011856 /nfs/dbraw/zinc/01/18/56/385011856.db2.gz WHCNBHTWNJPIHV-CABCVRRESA-N 1 3 248.370 1.667 20 0 BDADHO COC[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226438074 385020352 /nfs/dbraw/zinc/02/03/52/385020352.db2.gz DJWXGWALWMAJOS-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226438074 385020362 /nfs/dbraw/zinc/02/03/62/385020362.db2.gz DJWXGWALWMAJOS-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438074 385020364 /nfs/dbraw/zinc/02/03/64/385020364.db2.gz DJWXGWALWMAJOS-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(Cc2ccns2)C1 ZINC000404486967 385020793 /nfs/dbraw/zinc/02/07/93/385020793.db2.gz CTFPKOZBDRGMOD-JTQLQIEISA-N 1 3 225.361 1.704 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1cccc2c1OCO2 ZINC000310441262 385063211 /nfs/dbraw/zinc/06/32/11/385063211.db2.gz VTWVGIYHTKRYRQ-JTQLQIEISA-N 1 3 236.315 1.632 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340490016 385073984 /nfs/dbraw/zinc/07/39/84/385073984.db2.gz TWAAIWXRGDHOLC-MGPQQGTHSA-N 1 3 238.375 1.628 20 0 BDADHO CO[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340490016 385073998 /nfs/dbraw/zinc/07/39/98/385073998.db2.gz TWAAIWXRGDHOLC-MGPQQGTHSA-N 1 3 238.375 1.628 20 0 BDADHO COc1ccc(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000404803008 385077790 /nfs/dbraw/zinc/07/77/90/385077790.db2.gz WELZOJUWURKQOH-UONOGXRCSA-N 1 3 248.370 1.953 20 0 BDADHO CC[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000644632142 385042778 /nfs/dbraw/zinc/04/27/78/385042778.db2.gz WIHWRRCPZWGQED-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000644632142 385042780 /nfs/dbraw/zinc/04/27/80/385042780.db2.gz WIHWRRCPZWGQED-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@](O)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403647 385043489 /nfs/dbraw/zinc/04/34/89/385043489.db2.gz LFZDCBIZEWOIRL-RDBSUJKOSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@](O)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000310403647 385043498 /nfs/dbraw/zinc/04/34/98/385043498.db2.gz LFZDCBIZEWOIRL-RDBSUJKOSA-N 1 3 238.375 1.364 20 0 BDADHO CC[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000644632143 385044411 /nfs/dbraw/zinc/04/44/11/385044411.db2.gz WIHWRRCPZWGQED-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO CC[C@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000644632143 385044417 /nfs/dbraw/zinc/04/44/17/385044417.db2.gz WIHWRRCPZWGQED-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO C([C@H]1CCC[NH2+]C1)N1CCN2CCCC[C@@H]2C1 ZINC000227374658 385124214 /nfs/dbraw/zinc/12/42/14/385124214.db2.gz DQBYNFUWAIGCSJ-UONOGXRCSA-N 1 3 237.391 1.156 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647002206 385137782 /nfs/dbraw/zinc/13/77/82/385137782.db2.gz XKXBTNLRYRXIMH-WZRBSPASSA-N 1 3 241.379 1.090 20 0 BDADHO CCN(CC)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000157364191 385151570 /nfs/dbraw/zinc/15/15/70/385151570.db2.gz IOXZGMUXWPMJKN-ZDUSSCGKSA-N 1 3 243.395 1.208 20 0 BDADHO CCCCOCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404916712 385174218 /nfs/dbraw/zinc/17/42/18/385174218.db2.gz WOTPBDGGABEBAW-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO CCCCOCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000404916712 385174223 /nfs/dbraw/zinc/17/42/23/385174223.db2.gz WOTPBDGGABEBAW-WDEREUQCSA-N 1 3 214.353 1.519 20 0 BDADHO NC[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052173126 385227346 /nfs/dbraw/zinc/22/73/46/385227346.db2.gz RLCCUHPOBSJENK-LBPRGKRZSA-N 1 3 212.337 1.084 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000052173126 385227354 /nfs/dbraw/zinc/22/73/54/385227354.db2.gz RLCCUHPOBSJENK-LBPRGKRZSA-N 1 3 212.337 1.084 20 0 BDADHO CCCCOCCN1CC[C@H](C[NH3+])C1 ZINC000045107894 385244844 /nfs/dbraw/zinc/24/48/44/385244844.db2.gz MJCCCHNWIOXSDQ-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO C[C@@H](C[NH2+]C[C@@H]1CCCOC1)CN(C)C ZINC000308898796 385252800 /nfs/dbraw/zinc/25/28/00/385252800.db2.gz JOJMHXQLTFAVBC-RYUDHWBXSA-N 1 3 214.353 1.200 20 0 BDADHO OCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157903236 385305656 /nfs/dbraw/zinc/30/56/56/385305656.db2.gz QXHPLKBNBOBDOP-STQMWFEESA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157903236 385305659 /nfs/dbraw/zinc/30/56/59/385305659.db2.gz QXHPLKBNBOBDOP-STQMWFEESA-N 1 3 226.364 1.365 20 0 BDADHO OCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000157903236 385305666 /nfs/dbraw/zinc/30/56/66/385305666.db2.gz QXHPLKBNBOBDOP-STQMWFEESA-N 1 3 226.364 1.365 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CC2([NH3+])CCC2)c1 ZINC000647096272 385289311 /nfs/dbraw/zinc/28/93/11/385289311.db2.gz UXTGSMILLXOKNF-UHFFFAOYSA-N 1 3 247.342 1.664 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157839985 385295817 /nfs/dbraw/zinc/29/58/17/385295817.db2.gz WAFJYAZLLNGTOU-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157839985 385295821 /nfs/dbraw/zinc/29/58/21/385295821.db2.gz WAFJYAZLLNGTOU-UTUOFQBUSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)CN(C)C ZINC000308925291 385296345 /nfs/dbraw/zinc/29/63/45/385296345.db2.gz PYIILOZQSVLNAV-UTUOFQBUSA-N 1 3 214.353 1.199 20 0 BDADHO CCOC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000158081568 385334837 /nfs/dbraw/zinc/33/48/37/385334837.db2.gz HTNYYIGEUYCTQX-LBPRGKRZSA-N 1 3 242.363 1.213 20 0 BDADHO CCOC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158081568 385334841 /nfs/dbraw/zinc/33/48/41/385334841.db2.gz HTNYYIGEUYCTQX-LBPRGKRZSA-N 1 3 242.363 1.213 20 0 BDADHO C[C@@H](C[NH2+]C1CCN(C2CC2)CC1)N(C)C ZINC000309205046 385480234 /nfs/dbraw/zinc/48/02/34/385480234.db2.gz CELCAXUDYGUFFM-NSHDSACASA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCCCN1 ZINC000401649593 385492179 /nfs/dbraw/zinc/49/21/79/385492179.db2.gz OHHBYJNZPBCXHB-YPMHNXCESA-N 1 3 236.363 1.083 20 0 BDADHO C[C@H]([NH2+]CCc1cncn1C)[C@@H]1CCCCN1 ZINC000401649590 385492295 /nfs/dbraw/zinc/49/22/95/385492295.db2.gz OHHBYJNZPBCXHB-AAEUAGOBSA-N 1 3 236.363 1.083 20 0 BDADHO C[C@@H](C[NH2+]C[C@H]1CCCOC1)CN1CCCC1 ZINC000111320514 385501050 /nfs/dbraw/zinc/50/10/50/385501050.db2.gz UIINNTMWFSNSFA-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO Cc1nocc1CNCCCC[NH+](C)C ZINC000293445015 385603735 /nfs/dbraw/zinc/60/37/35/385603735.db2.gz CEQLGKFXFHCNRT-UHFFFAOYSA-N 1 3 211.309 1.414 20 0 BDADHO C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CCCNC1 ZINC000414849107 385616804 /nfs/dbraw/zinc/61/68/04/385616804.db2.gz HDDLHIHCJWVYKQ-SRVKXCTJSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](N[C@H]1CCCSC1)[C@H]1CCC[NH2+]C1 ZINC000414849107 385616806 /nfs/dbraw/zinc/61/68/06/385616806.db2.gz HDDLHIHCJWVYKQ-SRVKXCTJSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@]1(CN2CCCSCC2)CC[NH2+]C1 ZINC000062911599 385610023 /nfs/dbraw/zinc/61/00/23/385610023.db2.gz WFMYGNGACPZHRU-NSHDSACASA-N 1 3 214.378 1.425 20 0 BDADHO CNC[C@H](C)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414853530 385688997 /nfs/dbraw/zinc/68/89/97/385688997.db2.gz STLFNVKEWKIVOD-UNXYVOJBSA-N 1 3 242.363 1.163 20 0 BDADHO CCN(CC)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000221722495 385693744 /nfs/dbraw/zinc/69/37/44/385693744.db2.gz VEIMBFKICSQDQR-STQMWFEESA-N 1 3 227.396 1.401 20 0 BDADHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337461129 385671211 /nfs/dbraw/zinc/67/12/11/385671211.db2.gz KLYZKCBMBNHDQQ-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ncn1 ZINC000647793773 385728079 /nfs/dbraw/zinc/72/80/79/385728079.db2.gz HXRKPLKLJQOFMJ-FRRDWIJNSA-N 1 3 246.358 1.263 20 0 BDADHO COC[C@@H](CC(C)C)NC[C@H]1CCC[NH2+]C1 ZINC000414859841 385738537 /nfs/dbraw/zinc/73/85/37/385738537.db2.gz UTJPCQFQCPCAQN-QWHCGFSZSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@@H](CC(C)C)[NH2+]C[C@H]1CCCNC1 ZINC000414859841 385738543 /nfs/dbraw/zinc/73/85/43/385738543.db2.gz UTJPCQFQCPCAQN-QWHCGFSZSA-N 1 3 228.380 1.637 20 0 BDADHO CCN(CC)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000341691963 385746142 /nfs/dbraw/zinc/74/61/42/385746142.db2.gz CYSIYUXKVLCUKT-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@@H](COC)NC[C@@H](C)C[NH+](C)C ZINC000336699651 385759509 /nfs/dbraw/zinc/75/95/09/385759509.db2.gz WUAALTMPLMDUKC-MNOVXSKESA-N 1 3 202.342 1.199 20 0 BDADHO C[NH2+]CCCN[C@H]1CCc2ccccc2C1 ZINC000414857191 385725545 /nfs/dbraw/zinc/72/55/45/385725545.db2.gz BTBRLLLZESGGCQ-AWEZNQCLSA-N 1 3 218.344 1.743 20 0 BDADHO CNCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000414857191 385725549 /nfs/dbraw/zinc/72/55/49/385725549.db2.gz BTBRLLLZESGGCQ-AWEZNQCLSA-N 1 3 218.344 1.743 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCSC2)CCN1 ZINC000414945145 385800656 /nfs/dbraw/zinc/80/06/56/385800656.db2.gz HXTWCVGDDXTAQZ-MXWKQRLJSA-N 1 3 214.378 1.612 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2CCCSC2)CC[NH2+]1 ZINC000414945145 385800661 /nfs/dbraw/zinc/80/06/61/385800661.db2.gz HXTWCVGDDXTAQZ-MXWKQRLJSA-N 1 3 214.378 1.612 20 0 BDADHO C1CC1[C@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000414867952 385807196 /nfs/dbraw/zinc/80/71/96/385807196.db2.gz GWADUQOHISSVEP-YNEHKIRRSA-N 1 3 208.349 1.907 20 0 BDADHO CCC[NH2+]CCNC1CCC(OC)CC1 ZINC000414867833 385812943 /nfs/dbraw/zinc/81/29/43/385812943.db2.gz JKZMZPJQEPDHKH-UHFFFAOYSA-N 1 3 214.353 1.533 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)CO1 ZINC000647804808 385838932 /nfs/dbraw/zinc/83/89/32/385838932.db2.gz ZYHHOMSGCGHXDN-WHOHXGKFSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H]1SCC[C@H]1[NH2+][C@H]1CCNCC[C@H]1C ZINC000647804187 385840361 /nfs/dbraw/zinc/84/03/61/385840361.db2.gz KYEOWSKAYOUSOY-WISYIIOYSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CCC[NH2+]1 ZINC000647804547 385840638 /nfs/dbraw/zinc/84/06/38/385840638.db2.gz UANPTJLPGMHWBC-NWBUJAPZSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)[C@@H]1CCCN1 ZINC000647804547 385840639 /nfs/dbraw/zinc/84/06/39/385840639.db2.gz UANPTJLPGMHWBC-NWBUJAPZSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCNCC[C@H]1C ZINC000647804186 385840857 /nfs/dbraw/zinc/84/08/57/385840857.db2.gz KYEOWSKAYOUSOY-RHYQMDGZSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H](N[C@@H]1CCS[C@@H]1C)C1C[NH2+]C1 ZINC000647804174 385840865 /nfs/dbraw/zinc/84/08/65/385840865.db2.gz KQJFBEXCNDLTOJ-QXFUBDJGSA-N 1 3 200.351 1.078 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C1CNC1 ZINC000647804174 385840868 /nfs/dbraw/zinc/84/08/68/385840868.db2.gz KQJFBEXCNDLTOJ-QXFUBDJGSA-N 1 3 200.351 1.078 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000262544650 385858466 /nfs/dbraw/zinc/85/84/66/385858466.db2.gz YVWQVYWEONEMIT-GMXVVIOVSA-N 1 3 249.358 1.176 20 0 BDADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC[NH3+])cc1 ZINC000262458174 385849746 /nfs/dbraw/zinc/84/97/46/385849746.db2.gz URNDAWUTMPWICN-ZDUSSCGKSA-N 1 3 249.358 1.275 20 0 BDADHO C[C@H](C(=O)NC(C)(C)C[NH3+])[C@@H](N)c1ccccc1 ZINC000262499620 385852309 /nfs/dbraw/zinc/85/23/09/385852309.db2.gz GECCTSBMHBXJJA-CMPLNLGQSA-N 1 3 249.358 1.176 20 0 BDADHO CC[NH2+][C@H](C)CNC[C@H]1CCO[C@@H](CC)C1 ZINC000414962913 385889136 /nfs/dbraw/zinc/88/91/36/385889136.db2.gz SXXKKZDUAZQFNG-AGIUHOORSA-N 1 3 228.380 1.779 20 0 BDADHO Fc1cncc(CNCCC[C@@H]2CCC[NH2+]2)c1 ZINC000414962363 385891889 /nfs/dbraw/zinc/89/18/89/385891889.db2.gz JPRHOSZCLRJGSE-CYBMUJFWSA-N 1 3 237.322 1.843 20 0 BDADHO C[C@H](CCn1cccn1)[NH2+]CC1=CCN(C)CC1 ZINC000272485534 385906078 /nfs/dbraw/zinc/90/60/78/385906078.db2.gz JSZYGLKHVNTIAX-CYBMUJFWSA-N 1 3 248.374 1.513 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000414876598 385908522 /nfs/dbraw/zinc/90/85/22/385908522.db2.gz LTUDCHJYNZLMRB-MNOVXSKESA-N 1 3 224.323 1.941 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)Cc1ccccc1F ZINC000414876598 385908525 /nfs/dbraw/zinc/90/85/25/385908525.db2.gz LTUDCHJYNZLMRB-MNOVXSKESA-N 1 3 224.323 1.941 20 0 BDADHO C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1CCCN1 ZINC000335033082 385920774 /nfs/dbraw/zinc/92/07/74/385920774.db2.gz OMBRXTSFGUODGO-QWHCGFSZSA-N 1 3 238.375 1.677 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000338355404 385978209 /nfs/dbraw/zinc/97/82/09/385978209.db2.gz JJHKGQBUTSPWPV-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000338355404 385978214 /nfs/dbraw/zinc/97/82/14/385978214.db2.gz JJHKGQBUTSPWPV-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO C1C[C@@H]([NH2+][C@@H]2CCNC2)C2(C1)CCOCC2 ZINC000335023214 385982785 /nfs/dbraw/zinc/98/27/85/385982785.db2.gz PKWSCETUJGNNBY-VXGBXAGGSA-N 1 3 224.348 1.287 20 0 BDADHO CCC[C@@](C)(N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295193799 385988714 /nfs/dbraw/zinc/98/87/14/385988714.db2.gz JJUTZBVANJRHFH-CQSZACIVSA-N 1 3 249.358 1.862 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000295222903 385992532 /nfs/dbraw/zinc/99/25/32/385992532.db2.gz MWYVHRZQQXHLLS-MFKMUULPSA-N 1 3 249.358 1.718 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1Cc2ccccc2C1 ZINC000335043066 385935232 /nfs/dbraw/zinc/93/52/32/385935232.db2.gz MKCYULUBJMFPLT-LRDDRELGSA-N 1 3 244.382 1.989 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1Cc2ccccc2C1 ZINC000335043068 385936725 /nfs/dbraw/zinc/93/67/25/385936725.db2.gz MKCYULUBJMFPLT-WBMJQRKESA-N 1 3 244.382 1.989 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@H](COC)C1 ZINC000338302114 385952086 /nfs/dbraw/zinc/95/20/86/385952086.db2.gz ALKBZYRERHPUBU-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@H](COC)C1 ZINC000338302114 385952091 /nfs/dbraw/zinc/95/20/91/385952091.db2.gz ALKBZYRERHPUBU-ZDUSSCGKSA-N 1 3 228.380 1.687 20 0 BDADHO CC[NH+](CC)CCCN(C)[C@@H]1CCCC[C@@H]1O ZINC000338305386 385953871 /nfs/dbraw/zinc/95/38/71/385953871.db2.gz JWWZXQOLDMPPLV-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000338305386 385953877 /nfs/dbraw/zinc/95/38/77/385953877.db2.gz JWWZXQOLDMPPLV-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000338305386 385953881 /nfs/dbraw/zinc/95/38/81/385953881.db2.gz JWWZXQOLDMPPLV-KGLIPLIRSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@](C)(N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295082714 385959033 /nfs/dbraw/zinc/95/90/33/385959033.db2.gz ILMBBZDRUNUBOL-ZDUSSCGKSA-N 1 3 235.331 1.601 20 0 BDADHO Cc1ccc(-c2n[nH]cc2CNC[C@H](C)C[NH3+])o1 ZINC000414882352 386010580 /nfs/dbraw/zinc/01/05/80/386010580.db2.gz UCNUHUOEUFDOTD-SECBINFHSA-N 1 3 248.330 1.663 20 0 BDADHO C[NH2+]C[C@H]1CCN(CC2(OC)CCCC2)C1 ZINC000309485449 386012144 /nfs/dbraw/zinc/01/21/44/386012144.db2.gz GGRYRGITLKAINW-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CNC[C@H]1CC[N@H+](CC2(OC)CCCC2)C1 ZINC000309485449 386012149 /nfs/dbraw/zinc/01/21/49/386012149.db2.gz GGRYRGITLKAINW-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CNC[C@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000309485449 386012152 /nfs/dbraw/zinc/01/21/52/386012152.db2.gz GGRYRGITLKAINW-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1cn[nH]c1 ZINC000414169567 386016224 /nfs/dbraw/zinc/01/62/24/386016224.db2.gz BHCZEOUWFFXTTN-NWDGAFQWSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1cn[nH]c1 ZINC000414169567 386016228 /nfs/dbraw/zinc/01/62/28/386016228.db2.gz BHCZEOUWFFXTTN-NWDGAFQWSA-N 1 3 236.363 1.792 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393903058 386024588 /nfs/dbraw/zinc/02/45/88/386024588.db2.gz ITHHUOWOUMUFOI-NMUGVGKYSA-N 1 3 232.318 1.958 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393903058 386024594 /nfs/dbraw/zinc/02/45/94/386024594.db2.gz ITHHUOWOUMUFOI-NMUGVGKYSA-N 1 3 232.318 1.958 20 0 BDADHO C[C@H](CN1CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000129105827 386049933 /nfs/dbraw/zinc/04/99/33/386049933.db2.gz ZYRFIKIQNONVFH-ZIAGYGMSSA-N 1 3 239.407 1.593 20 0 BDADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000345316696 386102827 /nfs/dbraw/zinc/10/28/27/386102827.db2.gz ARMXJIPBZMTSTQ-WDEREUQCSA-N 1 3 243.395 1.219 20 0 BDADHO COc1ccccc1/C=C/CNC[C@H](C)C[NH3+] ZINC000414885495 386060183 /nfs/dbraw/zinc/06/01/83/386060183.db2.gz XAKSFIKUFWLKTI-HOSRBBHYSA-N 1 3 234.343 1.893 20 0 BDADHO C[C@@H](CC[NH3+])NCc1ccc2c(c1)ncn2C ZINC000414892831 386150122 /nfs/dbraw/zinc/15/01/22/386150122.db2.gz JPAFPCYHANSMIE-JTQLQIEISA-N 1 3 232.331 1.400 20 0 BDADHO Cc1cc(CNC[C@@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000414994939 386168622 /nfs/dbraw/zinc/16/86/22/386168622.db2.gz FERJFQXDVGSDDU-NEPJUHHUSA-N 1 3 236.363 1.336 20 0 BDADHO Cc1ccc(CCCNC[C@H]([NH3+])C2CC2)cn1 ZINC000414895016 386185871 /nfs/dbraw/zinc/18/58/71/386185871.db2.gz VCBFVMYQUGBIKU-AWEZNQCLSA-N 1 3 233.359 1.650 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)C[C@@H]1C(C)C ZINC000414712232 386229623 /nfs/dbraw/zinc/22/96/23/386229623.db2.gz NLWURXDSBDBKEV-UONOGXRCSA-N 1 3 241.423 1.632 20 0 BDADHO CCC[C@@H]1CN(C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414712356 386230969 /nfs/dbraw/zinc/23/09/69/386230969.db2.gz UAPCHJANKZFCBX-HZSPNIEDSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+](CCOC)CC[C@H]1CCCN1C ZINC000336643894 386242346 /nfs/dbraw/zinc/24/23/46/386242346.db2.gz FASCGJODYGCFBN-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CC[N@@H+](CCOC)CC[C@H]1CCCN1C ZINC000336643894 386242347 /nfs/dbraw/zinc/24/23/47/386242347.db2.gz FASCGJODYGCFBN-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO COCCN(C[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000647883386 386246603 /nfs/dbraw/zinc/24/66/03/386246603.db2.gz MXRXNAUIUZFUEM-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@H](N)[C@@H](C)C2)CCO1 ZINC000347099022 386249867 /nfs/dbraw/zinc/24/98/67/386249867.db2.gz JCFPQSJWEUOIDT-DGAVXFQQSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](N)[C@@H](C)C2)CCO1 ZINC000347099022 386249870 /nfs/dbraw/zinc/24/98/70/386249870.db2.gz JCFPQSJWEUOIDT-DGAVXFQQSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1C[C@H](CN2CC[C@H]([NH3+])[C@@H](C)C2)CCO1 ZINC000347099022 386249873 /nfs/dbraw/zinc/24/98/73/386249873.db2.gz JCFPQSJWEUOIDT-DGAVXFQQSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H](CN)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000347102696 386250411 /nfs/dbraw/zinc/25/04/11/386250411.db2.gz MWZJCGVSYBLTCK-LBPRGKRZSA-N 1 3 244.342 1.651 20 0 BDADHO C[C@@H](CN)[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000347102696 386250413 /nfs/dbraw/zinc/25/04/13/386250413.db2.gz MWZJCGVSYBLTCK-LBPRGKRZSA-N 1 3 244.342 1.651 20 0 BDADHO CC[C@H](O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000339126527 386252633 /nfs/dbraw/zinc/25/26/33/386252633.db2.gz YXMMLEPQTZSFRR-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000339126527 386252636 /nfs/dbraw/zinc/25/26/36/386252636.db2.gz YXMMLEPQTZSFRR-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000339126527 386252640 /nfs/dbraw/zinc/25/26/40/386252640.db2.gz YXMMLEPQTZSFRR-RYUDHWBXSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000339126525 386252714 /nfs/dbraw/zinc/25/27/14/386252714.db2.gz YXMMLEPQTZSFRR-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000339126525 386252718 /nfs/dbraw/zinc/25/27/18/386252718.db2.gz YXMMLEPQTZSFRR-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000339126525 386252720 /nfs/dbraw/zinc/25/27/20/386252720.db2.gz YXMMLEPQTZSFRR-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](N)CC(C)C ZINC000414694876 386194434 /nfs/dbraw/zinc/19/44/34/386194434.db2.gz GIPCKADZWOFQNN-NWDGAFQWSA-N 1 3 242.363 1.387 20 0 BDADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](N)CC(C)C ZINC000414694876 386194436 /nfs/dbraw/zinc/19/44/36/386194436.db2.gz GIPCKADZWOFQNN-NWDGAFQWSA-N 1 3 242.363 1.387 20 0 BDADHO C[C@H](O)CCCN1CC[C@H](C[NH+](C)C)C1 ZINC000336663624 386284243 /nfs/dbraw/zinc/28/42/43/386284243.db2.gz CPZMNYRPNJOMGG-NWDGAFQWSA-N 1 3 214.353 1.031 20 0 BDADHO CCOC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647885774 386286101 /nfs/dbraw/zinc/28/61/01/386286101.db2.gz OMXNPAQXFVMKGP-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO COC1(C)CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336680012 386321903 /nfs/dbraw/zinc/32/19/03/386321903.db2.gz DKJZKMZLBZTIID-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO COC1(C)CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336680012 386321905 /nfs/dbraw/zinc/32/19/05/386321905.db2.gz DKJZKMZLBZTIID-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC000336682735 386339980 /nfs/dbraw/zinc/33/99/80/386339980.db2.gz YPOJKIBVHYNFLB-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC000336682735 386339982 /nfs/dbraw/zinc/33/99/82/386339982.db2.gz YPOJKIBVHYNFLB-STQMWFEESA-N 1 3 228.380 1.421 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H]2CCOC2)C1 ZINC000336682202 386341830 /nfs/dbraw/zinc/34/18/30/386341830.db2.gz CZXNOYAFBGSPQK-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336682202 386341838 /nfs/dbraw/zinc/34/18/38/386341838.db2.gz CZXNOYAFBGSPQK-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000336682202 386341844 /nfs/dbraw/zinc/34/18/44/386341844.db2.gz CZXNOYAFBGSPQK-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1C[C@@H](C)N(C)C[C@H]1C ZINC000414746737 386347683 /nfs/dbraw/zinc/34/76/83/386347683.db2.gz SSJHIXSXTIUNTE-UPJWGTAASA-N 1 3 227.396 1.384 20 0 BDADHO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCNCC2)CCO1 ZINC000414907939 386386601 /nfs/dbraw/zinc/38/66/01/386386601.db2.gz CBSTZZAREYVBND-MCIONIFRSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000336698623 386385021 /nfs/dbraw/zinc/38/50/21/386385021.db2.gz WVSBZASHWCNEOI-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000336698623 386385027 /nfs/dbraw/zinc/38/50/27/386385027.db2.gz WVSBZASHWCNEOI-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO c1ccc([C@H]2CNCCN2C[C@H]2CC[NH2+]C2)cc1 ZINC000647992613 386447301 /nfs/dbraw/zinc/44/73/01/386447301.db2.gz RZWDVTNVNKMEIY-DZGCQCFKSA-N 1 3 245.370 1.242 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)[C@@H](C)[C@H]1C ZINC000414754626 386397770 /nfs/dbraw/zinc/39/77/70/386397770.db2.gz GILNVYLFAJETRO-XQQFMLRXSA-N 1 3 227.396 1.384 20 0 BDADHO CCCC[C@H](COC)NCC[C@H]1CCC[NH2+]1 ZINC000414909623 386410177 /nfs/dbraw/zinc/41/01/77/386410177.db2.gz TWNVBXLYFNFGJO-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@H](CN)C[C@@H]2C)cn1 ZINC000339407087 386410346 /nfs/dbraw/zinc/41/03/46/386410346.db2.gz KWWDFFBUYCNOTN-ZFWWWQNUSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@H](CN)C[C@@H]2C)cn1 ZINC000339407087 386410353 /nfs/dbraw/zinc/41/03/53/386410353.db2.gz KWWDFFBUYCNOTN-ZFWWWQNUSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCCN2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000339407087 386410356 /nfs/dbraw/zinc/41/03/56/386410356.db2.gz KWWDFFBUYCNOTN-ZFWWWQNUSA-N 1 3 247.386 1.992 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@H]1CCC[NH2+]C1 ZINC000415044215 386528969 /nfs/dbraw/zinc/52/89/69/386528969.db2.gz BLLZTOIJQRQPJO-DZGCQCFKSA-N 1 3 247.386 1.590 20 0 BDADHO Cc1ccc(CCN2CCC([NH3+])CC2)cc1 ZINC000059600386 386482548 /nfs/dbraw/zinc/48/25/48/386482548.db2.gz DEUWCCOVOBLJCM-UHFFFAOYSA-N 1 3 218.344 1.961 20 0 BDADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000415011122 386484602 /nfs/dbraw/zinc/48/46/02/386484602.db2.gz QEIDUBHSJFAQGS-NEPJUHHUSA-N 1 3 244.342 1.698 20 0 BDADHO Cc1cn[nH]c1CN1CCCC[C@H]1CC[NH3+] ZINC000414779184 386492643 /nfs/dbraw/zinc/49/26/43/386492643.db2.gz FMZASWQUEOCSMV-NSHDSACASA-N 1 3 222.336 1.421 20 0 BDADHO C[C@H](CC1CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415044356 386529511 /nfs/dbraw/zinc/52/95/11/386529511.db2.gz UYUCIPWLWUSIOB-XEZLXBQYSA-N 1 3 208.349 1.763 20 0 BDADHO CCN(CC[C@@H]1CCC[N@@H+]1C)[C@H](C)CO ZINC000339634797 386503290 /nfs/dbraw/zinc/50/32/90/386503290.db2.gz GSSSLGQOLUIGIW-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CCN(CC[C@@H]1CCC[N@H+]1C)[C@H](C)CO ZINC000339634797 386503296 /nfs/dbraw/zinc/50/32/96/386503296.db2.gz GSSSLGQOLUIGIW-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO C[C@H](CCc1cccc(F)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415021571 386511891 /nfs/dbraw/zinc/51/18/91/386511891.db2.gz BXQLEHGGUBEJGR-RABLLNBGSA-N 1 3 248.345 1.954 20 0 BDADHO c1cncc([C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000335448007 386513506 /nfs/dbraw/zinc/51/35/06/386513506.db2.gz JIBRRIITQQUPDI-DZGCQCFKSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)c1 ZINC000335448007 386513513 /nfs/dbraw/zinc/51/35/13/386513513.db2.gz JIBRRIITQQUPDI-DZGCQCFKSA-N 1 3 245.370 1.871 20 0 BDADHO c1cncc([C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)c1 ZINC000335448007 386513518 /nfs/dbraw/zinc/51/35/18/386513518.db2.gz JIBRRIITQQUPDI-DZGCQCFKSA-N 1 3 245.370 1.871 20 0 BDADHO C[C@@H](C[NH2+]C[C@H]1CNCCCO1)c1ccccc1 ZINC000415032680 386518674 /nfs/dbraw/zinc/51/86/74/386518674.db2.gz GIPGUTFZZXELNJ-DZGCQCFKSA-N 1 3 248.370 1.758 20 0 BDADHO C[C@@H](CNC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000415032680 386518678 /nfs/dbraw/zinc/51/86/78/386518678.db2.gz GIPGUTFZZXELNJ-DZGCQCFKSA-N 1 3 248.370 1.758 20 0 BDADHO COc1ccc([C@H](C)CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415034972 386521421 /nfs/dbraw/zinc/52/14/21/386521421.db2.gz KGRYDJNOTDSJDN-RABLLNBGSA-N 1 3 246.354 1.606 20 0 BDADHO CCOC[C@@H](C)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414916244 386521862 /nfs/dbraw/zinc/52/18/62/386521862.db2.gz PGVGAMQKXASLIW-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CCOC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414916244 386521869 /nfs/dbraw/zinc/52/18/69/386521869.db2.gz PGVGAMQKXASLIW-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO CC(C)(C)CCNC[C@H]1C[NH2+]CCCO1 ZINC000415039960 386527187 /nfs/dbraw/zinc/52/71/87/386527187.db2.gz NSAWJRKLPQCNFI-LLVKDONJSA-N 1 3 214.353 1.391 20 0 BDADHO CCC(CC)[C@@H](O)CNC[C@]1(C)CC[NH2+]C1 ZINC000415082385 386598220 /nfs/dbraw/zinc/59/82/20/386598220.db2.gz LQUIJKVEAKRJTD-QWHCGFSZSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@@H](C[NH2+]Cc1ccc2c[nH]nc2c1)CN(C)C ZINC000291742317 386577079 /nfs/dbraw/zinc/57/70/79/386577079.db2.gz OZCYCYFPLACQLY-NSHDSACASA-N 1 3 246.358 1.850 20 0 BDADHO CC[C@H](NC[C@H]([NH3+])CC(C)C)[C@H]1CCCO1 ZINC000415076906 386578347 /nfs/dbraw/zinc/57/83/47/386578347.db2.gz GYFIPGPTJLYYMJ-FRRDWIJNSA-N 1 3 228.380 1.907 20 0 BDADHO C(C[C@@H]1CCOC1)N[C@@H]1CCCC[NH2+]C1 ZINC000415076242 386579583 /nfs/dbraw/zinc/57/95/83/386579583.db2.gz RWHFNQODAPUKNF-VXGBXAGGSA-N 1 3 212.337 1.145 20 0 BDADHO COC1CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000414803262 386598559 /nfs/dbraw/zinc/59/85/59/386598559.db2.gz NLCXHUVRXKGLRB-XVSSEFHLSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H](CC1CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415046261 386531484 /nfs/dbraw/zinc/53/14/84/386531484.db2.gz UWKTUCRJZIVJOZ-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO C(NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000415045199 386532239 /nfs/dbraw/zinc/53/22/39/386532239.db2.gz SXPIFAPIEWVWRK-ZDUSSCGKSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@H](CCC(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045138 386532674 /nfs/dbraw/zinc/53/26/74/386532674.db2.gz VZJCTFHWGBSNDB-HXFLIBJXSA-N 1 3 222.254 1.525 20 0 BDADHO C[C@H](CC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415047732 386535612 /nfs/dbraw/zinc/53/56/12/386535612.db2.gz WHIPYOKYZRARMB-PWSUYJOCSA-N 1 3 212.337 1.143 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000442711730 386535661 /nfs/dbraw/zinc/53/56/61/386535661.db2.gz FLIDJNQCEJQNAH-PWSUYJOCSA-N 1 3 241.379 1.090 20 0 BDADHO CCCC[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000442711728 386536529 /nfs/dbraw/zinc/53/65/29/386536529.db2.gz FLIDJNQCEJQNAH-CMPLNLGQSA-N 1 3 241.379 1.090 20 0 BDADHO c1cncc([C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)c1 ZINC000647995327 386538554 /nfs/dbraw/zinc/53/85/54/386538554.db2.gz OZKDJGMNQUKKIP-JSGCOSHPSA-N 1 3 231.343 1.480 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000332045854 386546346 /nfs/dbraw/zinc/54/63/46/386546346.db2.gz VDVCKBRDRMILMN-OUAUKWLOSA-N 1 3 200.326 1.007 20 0 BDADHO Cc1ccc(O)c(CN[C@H](C[NH3+])C2CCCC2)n1 ZINC000415070001 386550442 /nfs/dbraw/zinc/55/04/42/386550442.db2.gz UCBRPOHDXOWINC-GFCCVEGCSA-N 1 3 249.358 1.703 20 0 BDADHO CCOC[C@@H](C)[NH2+][C@@H]1CCCCNC1 ZINC000415067902 386552599 /nfs/dbraw/zinc/55/25/99/386552599.db2.gz LPBORQMXDBIGDQ-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO CCc1ccccc1[C@H](N)CN[C@H]1CC[NH2+]C1 ZINC000415067841 386552625 /nfs/dbraw/zinc/55/26/25/386552625.db2.gz QBQIXZHONYMHQL-GXTWGEPZSA-N 1 3 233.359 1.200 20 0 BDADHO C[NH2+]CCCN1CCc2ccccc2[C@@H]1CN ZINC000647995881 386559418 /nfs/dbraw/zinc/55/94/18/386559418.db2.gz WBWRPFWZXIRETI-AWEZNQCLSA-N 1 3 233.359 1.154 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1ncccc1F ZINC000519822057 386562197 /nfs/dbraw/zinc/56/21/97/386562197.db2.gz IBMCFLIXWYYQFN-SNVBAGLBSA-N 1 3 225.311 1.828 20 0 BDADHO C[C@H](CCN(C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000415072570 386562432 /nfs/dbraw/zinc/56/24/32/386562432.db2.gz WUSWUYDDFLREDZ-OCCSQVGLSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@H](CC[N@H+](C)C[C@@H](O)CN)c1ccccc1 ZINC000415072570 386562439 /nfs/dbraw/zinc/56/24/39/386562439.db2.gz WUSWUYDDFLREDZ-OCCSQVGLSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@H](CC[N@@H+](C)C[C@@H](O)CN)c1ccccc1 ZINC000415072570 386562446 /nfs/dbraw/zinc/56/24/46/386562446.db2.gz WUSWUYDDFLREDZ-OCCSQVGLSA-N 1 3 236.359 1.432 20 0 BDADHO COC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C1CCCC1 ZINC000425919138 386632860 /nfs/dbraw/zinc/63/28/60/386632860.db2.gz IOYZJTVYOVSZIH-TZMCWYRMSA-N 1 3 242.407 1.979 20 0 BDADHO CCCC[C@H](COC)N[C@@H](C[NH3+])C1CC1 ZINC000414814034 386636301 /nfs/dbraw/zinc/63/63/01/386636301.db2.gz RHQLWOUVDOTDIG-NEPJUHHUSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCO[C@@H]2C)cc1 ZINC000414815579 386650186 /nfs/dbraw/zinc/65/01/86/386650186.db2.gz XQKJDJWAFYMYGN-WDMOLILDSA-N 1 3 234.343 1.973 20 0 BDADHO C1C[C@H]2[C@H](CCC[C@H]2[NH2+][C@@H]2CCCNCC2)O1 ZINC000415082213 386599683 /nfs/dbraw/zinc/59/96/83/386599683.db2.gz CSLMNUWKIFOOAW-SYQHCUMBSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)[C@@H]([NH3+])CN[C@H]1CCCSC1 ZINC000414803336 386601165 /nfs/dbraw/zinc/60/11/65/386601165.db2.gz WNDSTHSTOHGRJF-UWVGGRQHSA-N 1 3 202.367 1.455 20 0 BDADHO COc1cccc2c1CC[C@@H]2NCCC[NH3+] ZINC000415093826 386612701 /nfs/dbraw/zinc/61/27/01/386612701.db2.gz WDYWZIJNBNKTIU-LBPRGKRZSA-N 1 3 220.316 1.621 20 0 BDADHO c1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)on1 ZINC000647978655 386613578 /nfs/dbraw/zinc/61/35/78/386613578.db2.gz WHAVLIWMDKXFCC-STQMWFEESA-N 1 3 249.358 1.886 20 0 BDADHO CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN(C)C ZINC000425935360 386680613 /nfs/dbraw/zinc/68/06/13/386680613.db2.gz HVRHJSKCSXIXDQ-MELADBBJSA-N 1 3 242.407 1.979 20 0 BDADHO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)[C@@H]2CCO[C@H]21 ZINC000414927332 386695820 /nfs/dbraw/zinc/69/58/20/386695820.db2.gz PAGSUEFCBCFNNR-OBPIAQAESA-N 1 3 238.375 1.659 20 0 BDADHO [NH3+]CCOCCN1CCC(c2ccccc2)CC1 ZINC000357038667 386699941 /nfs/dbraw/zinc/69/99/41/386699941.db2.gz ZPFIBQOUGHVMTH-UHFFFAOYSA-N 1 3 248.370 1.841 20 0 BDADHO CC[NH2+]CCNC[C@@H]1CCO[C@H](CC)C1 ZINC000414829235 386702235 /nfs/dbraw/zinc/70/22/35/386702235.db2.gz MABZYXKREJLOLF-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO CCOC(=O)CCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000520604817 386703404 /nfs/dbraw/zinc/70/34/04/386703404.db2.gz YVXCUWWQPXFQCO-RYUDHWBXSA-N 1 3 242.363 1.531 20 0 BDADHO Cc1c[nH]nc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335545175 386730353 /nfs/dbraw/zinc/73/03/53/386730353.db2.gz XOYPQSXKYRLNNR-LBPRGKRZSA-N 1 3 248.374 1.682 20 0 BDADHO C[C@H]1CCC[C@H]1[NH2+]CCCN(C)CCN(C)C ZINC000623087814 386723851 /nfs/dbraw/zinc/72/38/51/386723851.db2.gz JOQWKUWIDPCZEK-UONOGXRCSA-N 1 3 241.423 1.648 20 0 BDADHO CNC[C@H](C)C[NH2+]C1CCC(OC)CC1 ZINC000414835364 386726704 /nfs/dbraw/zinc/72/67/04/386726704.db2.gz IKVFPVKIOUZMFF-UNXYVOJBSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@@H](C)Cn1cccn1 ZINC000414835725 386728115 /nfs/dbraw/zinc/72/81/15/386728115.db2.gz HPUYEQSCOOZHLK-NWDGAFQWSA-N 1 3 224.352 1.235 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071951 386786138 /nfs/dbraw/zinc/78/61/38/386786138.db2.gz CJGSOVHGEHHHSS-CHWSQXEVSA-N 1 3 238.375 1.439 20 0 BDADHO CCc1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000647785614 386788963 /nfs/dbraw/zinc/78/89/63/386788963.db2.gz CFSVOVRYCWPIJI-NQBHXWOUSA-N 1 3 249.358 1.715 20 0 BDADHO COC[C@]1(CN[C@@H]2CCC(C)(C)C2)CCC[NH2+]1 ZINC000414936675 386840186 /nfs/dbraw/zinc/84/01/86/386840186.db2.gz CEMXRTZASFSVQL-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)N ZINC000166371704 386863079 /nfs/dbraw/zinc/86/30/79/386863079.db2.gz MEUXJKOCCJVNPM-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)N ZINC000166371704 386863086 /nfs/dbraw/zinc/86/30/86/386863086.db2.gz MEUXJKOCCJVNPM-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC000051919446 386872694 /nfs/dbraw/zinc/87/26/94/386872694.db2.gz DSXLOAXSQLBCCE-ZDUSSCGKSA-N 1 3 233.359 1.903 20 0 BDADHO COC[C@]1(CN[C@@H]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000414940098 386876029 /nfs/dbraw/zinc/87/60/29/386876029.db2.gz HBCCTIZHRZNGMO-BFHYXJOUSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](O)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331935961 386928580 /nfs/dbraw/zinc/92/85/80/386928580.db2.gz HXRIJSDAIOFMOD-HBNTYKKESA-N 1 3 200.326 1.007 20 0 BDADHO Cc1cn[nH]c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000334870980 386930506 /nfs/dbraw/zinc/93/05/06/386930506.db2.gz VXBIMFAHJURHJN-TZMCWYRMSA-N 1 3 248.374 1.682 20 0 BDADHO CC[C@H](O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000331956048 386930553 /nfs/dbraw/zinc/93/05/53/386930553.db2.gz JTRKXFCBQDCIAT-DCAQKATOSA-N 1 3 200.326 1.007 20 0 BDADHO C[C@@]1(C[NH2+][C@@H]2CCCOCC2)CCCNC1 ZINC000334873907 386935343 /nfs/dbraw/zinc/93/53/43/386935343.db2.gz KNKIBBFNNDXBRR-CHWSQXEVSA-N 1 3 226.364 1.535 20 0 BDADHO COCCC1(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000395197387 386983280 /nfs/dbraw/zinc/98/32/80/386983280.db2.gz KUHFPUKEEMPXSZ-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO COCCC1(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000395197385 386983460 /nfs/dbraw/zinc/98/34/60/386983460.db2.gz KUHFPUKEEMPXSZ-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO CCCC[NH+]1CCC(N[C@H](C)CC(N)=O)CC1 ZINC000341906162 386986663 /nfs/dbraw/zinc/98/66/63/386986663.db2.gz XENNHEFAMNDPNM-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000332583632 386992953 /nfs/dbraw/zinc/99/29/53/386992953.db2.gz KCWBFXZBLHOQJB-WCFLWFBJSA-N 1 3 248.374 1.374 20 0 BDADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955597 387033925 /nfs/dbraw/zinc/03/39/25/387033925.db2.gz MCRFHUXTSVSVLQ-MFKMUULPSA-N 1 3 247.342 1.472 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1NCC1C[NH2+]C1 ZINC000423306453 387142198 /nfs/dbraw/zinc/14/21/98/387142198.db2.gz TWQYFSXZQKRYHQ-NWDGAFQWSA-N 1 3 226.364 1.389 20 0 BDADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1CNC1 ZINC000423306453 387142201 /nfs/dbraw/zinc/14/22/01/387142201.db2.gz TWQYFSXZQKRYHQ-NWDGAFQWSA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@@H](Cc1ccccc1)[NH2+]CC1CNC1 ZINC000423308052 387143501 /nfs/dbraw/zinc/14/35/01/387143501.db2.gz XGBSEFBVMDSZAT-AWEZNQCLSA-N 1 3 218.344 1.817 20 0 BDADHO CC[C@@H](Cc1ccccc1)NCC1C[NH2+]C1 ZINC000423308052 387143504 /nfs/dbraw/zinc/14/35/04/387143504.db2.gz XGBSEFBVMDSZAT-AWEZNQCLSA-N 1 3 218.344 1.817 20 0 BDADHO C[C@H](CCc1ccsc1)NCC1C[NH2+]C1 ZINC000423309341 387145626 /nfs/dbraw/zinc/14/56/26/387145626.db2.gz ZDRSLWZTCYJYAR-SNVBAGLBSA-N 1 3 224.373 1.878 20 0 BDADHO C[C@H](CCc1ccsc1)[NH2+]CC1CNC1 ZINC000423309341 387145633 /nfs/dbraw/zinc/14/56/33/387145633.db2.gz ZDRSLWZTCYJYAR-SNVBAGLBSA-N 1 3 224.373 1.878 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CCC2)CN1C1CC1 ZINC000423321343 387164538 /nfs/dbraw/zinc/16/45/38/387164538.db2.gz HISYTJULTXJXFS-MNOVXSKESA-N 1 3 223.364 1.083 20 0 BDADHO C[C@@H]1C[C@H](NCC2([NH3+])CCC2)CN1C1CC1 ZINC000423321343 387164539 /nfs/dbraw/zinc/16/45/39/387164539.db2.gz HISYTJULTXJXFS-MNOVXSKESA-N 1 3 223.364 1.083 20 0 BDADHO COc1cc([C@H](C)NCCCC[NH3+])c(F)cn1 ZINC000423321372 387165895 /nfs/dbraw/zinc/16/58/95/387165895.db2.gz HLBVPQXXVWUEGR-VIFPVBQESA-N 1 3 241.310 1.619 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccncc1 ZINC000423330920 387176613 /nfs/dbraw/zinc/17/66/13/387176613.db2.gz UJZOBTHFBDITPP-OLZOCXBDSA-N 1 3 219.332 1.860 20 0 BDADHO Cc1ccncc1[C@@H](C)NCC1=CC[NH2+]CC1 ZINC000423333341 387178713 /nfs/dbraw/zinc/17/87/13/387178713.db2.gz FEDRKUCKXGCABO-GFCCVEGCSA-N 1 3 231.343 1.960 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622082 387187599 /nfs/dbraw/zinc/18/75/99/387187599.db2.gz SXASEJPJSIIXQQ-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622082 387187602 /nfs/dbraw/zinc/18/76/02/387187602.db2.gz SXASEJPJSIIXQQ-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000162021278 387140914 /nfs/dbraw/zinc/14/09/14/387140914.db2.gz IRQJLDCNCCIXDV-WDEREUQCSA-N 1 3 243.395 1.192 20 0 BDADHO C[C@@H](NC[C@H]1NCCc2ccccc21)C1C[NH2+]C1 ZINC000423424943 387252507 /nfs/dbraw/zinc/25/25/07/387252507.db2.gz LYLTYJCRDSIHRM-IAQYHMDHSA-N 1 3 245.370 1.071 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)O1 ZINC000423356214 387207585 /nfs/dbraw/zinc/20/75/85/387207585.db2.gz JPAJQDISIGUYAO-DDHJBXDOSA-N 1 3 212.337 1.284 20 0 BDADHO C1CC([N@H+]2C[C@@H]3[C@H]4CCCCN4C[C@H]3C2)C1 ZINC000371464173 387219523 /nfs/dbraw/zinc/21/95/23/387219523.db2.gz PHLILYKYWVXWME-FPMFFAJLSA-N 1 3 220.360 1.955 20 0 BDADHO C1CC([N@@H+]2C[C@@H]3[C@H]4CCCCN4C[C@H]3C2)C1 ZINC000371464173 387219526 /nfs/dbraw/zinc/21/95/26/387219526.db2.gz PHLILYKYWVXWME-FPMFFAJLSA-N 1 3 220.360 1.955 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H](C)C[NH3+])C12CCCC2 ZINC000423368586 387221922 /nfs/dbraw/zinc/22/19/22/387221922.db2.gz NJLTZGNLRMHOSQ-SRVKXCTJSA-N 1 3 226.364 1.661 20 0 BDADHO C[NH2+][C@H](C)CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000423397617 387232082 /nfs/dbraw/zinc/23/20/82/387232082.db2.gz SRLZUOFRNJPFRM-XQHKEYJVSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H]1COCC[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423402570 387237234 /nfs/dbraw/zinc/23/72/34/387237234.db2.gz YLQIHSYYYKTHJD-AGIUHOORSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1COCC[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423402572 387238105 /nfs/dbraw/zinc/23/81/05/387238105.db2.gz YLQIHSYYYKTHJD-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1(C)C ZINC000423404706 387241577 /nfs/dbraw/zinc/24/15/77/387241577.db2.gz ZDVIENGSRPJOJZ-QNWHQSFQSA-N 1 3 240.391 1.920 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1(C)C ZINC000423404706 387241581 /nfs/dbraw/zinc/24/15/81/387241581.db2.gz ZDVIENGSRPJOJZ-QNWHQSFQSA-N 1 3 240.391 1.920 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC[C@H]1C ZINC000423406240 387243994 /nfs/dbraw/zinc/24/39/94/387243994.db2.gz UMNAMUAZQCBSED-RQJABVFESA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@H]1CNC[C@@H]1O)C1CCCCC1 ZINC000423412102 387246375 /nfs/dbraw/zinc/24/63/75/387246375.db2.gz WCVHXMVNVNZEME-RDBSUJKOSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423422701 387250577 /nfs/dbraw/zinc/25/05/77/387250577.db2.gz DGGFUCCNVDXYEC-WYUUTHIRSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@H]1CCCO1 ZINC000423348301 387198033 /nfs/dbraw/zinc/19/80/33/387198033.db2.gz SXGDSCZWSVEFRL-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCNC1)[C@H]1CCCO1 ZINC000423348301 387198038 /nfs/dbraw/zinc/19/80/38/387198038.db2.gz SXGDSCZWSVEFRL-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO COC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000423379251 387260412 /nfs/dbraw/zinc/26/04/12/387260412.db2.gz MUMFYMRAJUCTGJ-USWWRNFRSA-N 1 3 212.337 1.142 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)C1CC1 ZINC000423379251 387260415 /nfs/dbraw/zinc/26/04/15/387260415.db2.gz MUMFYMRAJUCTGJ-USWWRNFRSA-N 1 3 212.337 1.142 20 0 BDADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCCN(C)CC ZINC000353758971 387269485 /nfs/dbraw/zinc/26/94/85/387269485.db2.gz LNQKYJILVJXPLS-LBPRGKRZSA-N 1 3 243.395 1.221 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423391666 387277307 /nfs/dbraw/zinc/27/73/07/387277307.db2.gz PNLWZWWIJXGCGS-MNOVXSKESA-N 1 3 234.343 1.803 20 0 BDADHO C[C@@H](CCCC[NH3+])N[C@@H]1CNCCC1(F)F ZINC000423469561 387317941 /nfs/dbraw/zinc/31/79/41/387317941.db2.gz COMHRGBVGLERHU-VHSXEESVSA-N 1 3 235.322 1.091 20 0 BDADHO CC(C)(C)[C@H]1CC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444631 387295263 /nfs/dbraw/zinc/29/52/63/387295263.db2.gz BHYFQLPRHWOXGL-KZZRWZIVSA-N 1 3 208.349 1.619 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1NCCc2ccccc21 ZINC000423447548 387296938 /nfs/dbraw/zinc/29/69/38/387296938.db2.gz ZVCULGLTHOOHBB-ZOWXZIJZSA-N 1 3 247.386 1.589 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423449812 387299388 /nfs/dbraw/zinc/29/93/88/387299388.db2.gz SEKJDAHDRBSGCU-NGDQXYMTSA-N 1 3 226.364 1.515 20 0 BDADHO CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccncc1 ZINC000423461023 387309041 /nfs/dbraw/zinc/30/90/41/387309041.db2.gz JFWPRIOTGZOPLA-NWDGAFQWSA-N 1 3 207.321 1.860 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000336541438 387363878 /nfs/dbraw/zinc/36/38/78/387363878.db2.gz HCMLPOLJESQZFG-AAEUAGOBSA-N 1 3 245.370 1.824 20 0 BDADHO COc1ccc(C[C@H](C)N[C@H](C)[C@@H](C)[NH3+])cn1 ZINC000423481129 387364008 /nfs/dbraw/zinc/36/40/08/387364008.db2.gz WQVYIZFFXFRLFU-HBNTYKKESA-N 1 3 237.347 1.347 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc3c2NCC3)C1 ZINC000336541439 387364452 /nfs/dbraw/zinc/36/44/52/387364452.db2.gz HCMLPOLJESQZFG-DGCLKSJQSA-N 1 3 245.370 1.824 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CCO1 ZINC000423541644 387365607 /nfs/dbraw/zinc/36/56/07/387365607.db2.gz FSORKFKMSJTUTM-UMSGYPCISA-N 1 3 226.364 1.661 20 0 BDADHO CC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423539799 387365847 /nfs/dbraw/zinc/36/58/47/387365847.db2.gz CAZGEHULCRETRO-NNYUYHANSA-N 1 3 214.353 1.374 20 0 BDADHO COCCC[C@H](C)N[C@H]1CCCC[NH2+]C1 ZINC000423543497 387367945 /nfs/dbraw/zinc/36/79/45/387367945.db2.gz BZBLBJZOQJBDMK-RYUDHWBXSA-N 1 3 214.353 1.533 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000423570048 387379601 /nfs/dbraw/zinc/37/96/01/387379601.db2.gz WSNAXNLHEDEXMT-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475177 387322348 /nfs/dbraw/zinc/32/23/48/387322348.db2.gz RSMAMGGZIVFPCY-FDYHWXHSSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](NCCC[C@@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477562 387324063 /nfs/dbraw/zinc/32/40/63/387324063.db2.gz KAZCUCGWWUVCHS-NWDGAFQWSA-N 1 3 236.363 1.603 20 0 BDADHO Cc1cc(N)cc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000423482736 387329849 /nfs/dbraw/zinc/32/98/49/387329849.db2.gz RZZHDQOXVCYQRT-GXTWGEPZSA-N 1 3 233.359 1.794 20 0 BDADHO CCN1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@@H](C)C1 ZINC000423501190 387341173 /nfs/dbraw/zinc/34/11/73/387341173.db2.gz AYZMSWIPAUKMOR-RFQIPJPRSA-N 1 3 239.407 1.243 20 0 BDADHO CCN1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(CN)C2)[C@@H](C)C1 ZINC000423501190 387341176 /nfs/dbraw/zinc/34/11/76/387341176.db2.gz AYZMSWIPAUKMOR-RFQIPJPRSA-N 1 3 239.407 1.243 20 0 BDADHO C[C@H](N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cn1 ZINC000423513359 387347922 /nfs/dbraw/zinc/34/79/22/387347922.db2.gz RHPWVOZPFVXPCS-HOSYDEDBSA-N 1 3 237.322 1.999 20 0 BDADHO C[C@@H](NC[C@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521509 387352585 /nfs/dbraw/zinc/35/25/85/387352585.db2.gz QXEBFBVRBPCGOG-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@@H](C)[C@H](C)NCCC[NH2+]C1CC1 ZINC000423519236 387353733 /nfs/dbraw/zinc/35/37/33/387353733.db2.gz DBSPKLNHGHWUIS-UWVGGRQHSA-N 1 3 200.326 1.142 20 0 BDADHO CO[C@@H](C)[C@H](C)[NH2+]CCCNC1CC1 ZINC000423519236 387353734 /nfs/dbraw/zinc/35/37/34/387353734.db2.gz DBSPKLNHGHWUIS-UWVGGRQHSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423675832 387395538 /nfs/dbraw/zinc/39/55/38/387395538.db2.gz ICXBICJTJYKKHD-VXGBXAGGSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000515637872 387404269 /nfs/dbraw/zinc/40/42/69/387404269.db2.gz ZTFHFYGVPNQRPI-OLZOCXBDSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@H](O)CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000515637872 387404271 /nfs/dbraw/zinc/40/42/71/387404271.db2.gz ZTFHFYGVPNQRPI-OLZOCXBDSA-N 1 3 228.380 1.467 20 0 BDADHO CC[C@H](O)CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000515637872 387404272 /nfs/dbraw/zinc/40/42/72/387404272.db2.gz ZTFHFYGVPNQRPI-OLZOCXBDSA-N 1 3 228.380 1.467 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000643475332 387508994 /nfs/dbraw/zinc/50/89/94/387508994.db2.gz GYDFGGUQEKTDFE-VXGBXAGGSA-N 1 3 212.337 1.286 20 0 BDADHO CO[C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000643475459 387509401 /nfs/dbraw/zinc/50/94/01/387509401.db2.gz UZMNUYFYVLDVTQ-BEUHCMRWSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@]1(CNC(N)=[NH2+])CCN(Cc2ccccc2)C1 ZINC000307642154 387529181 /nfs/dbraw/zinc/52/91/81/387529181.db2.gz LBQHDHFSZWFOQZ-CQSZACIVSA-N 1 3 246.358 1.382 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470998 387477333 /nfs/dbraw/zinc/47/73/33/387477333.db2.gz GXMKXSXESSLCGA-FVCCEPFGSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000643471021 387477505 /nfs/dbraw/zinc/47/75/05/387477505.db2.gz LXYUMJQNINQUKO-FQUUOJAGSA-N 1 3 240.391 1.658 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]CCCNC(C)C)C1 ZINC000643508405 387490025 /nfs/dbraw/zinc/49/00/25/387490025.db2.gz DPZSSGDZILCUJY-OLZOCXBDSA-N 1 3 228.380 1.922 20 0 BDADHO CO[C@H]1CCC[C@@H](NCCC[NH2+]C(C)C)C1 ZINC000643508405 387490031 /nfs/dbraw/zinc/49/00/31/387490031.db2.gz DPZSSGDZILCUJY-OLZOCXBDSA-N 1 3 228.380 1.922 20 0 BDADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCCOC1 ZINC000527532325 387597690 /nfs/dbraw/zinc/59/76/90/387597690.db2.gz MZTJGXATYXJTDM-NWDGAFQWSA-N 1 3 224.348 1.287 20 0 BDADHO C1CC2(C1)NCC[C@H]2[NH2+]C1CCOCC1 ZINC000527532277 387599093 /nfs/dbraw/zinc/59/90/93/387599093.db2.gz LKJCETZISIPUJS-LLVKDONJSA-N 1 3 210.321 1.040 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCOCC2CC2)C[C@@H]1C[NH3+] ZINC000422635892 387611238 /nfs/dbraw/zinc/61/12/38/387611238.db2.gz LZXJLNXFNIIXIB-DYEKYZERSA-N 1 3 240.391 1.718 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422698703 387615182 /nfs/dbraw/zinc/61/51/82/387615182.db2.gz APEIROXVHHAFAO-GRYCIOLGSA-N 1 3 214.353 1.247 20 0 BDADHO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422705408 387620117 /nfs/dbraw/zinc/62/01/17/387620117.db2.gz BTYYQISQONXUKD-NNYUYHANSA-N 1 3 214.353 1.110 20 0 BDADHO CCCCN(C)CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422708542 387623754 /nfs/dbraw/zinc/62/37/54/387623754.db2.gz JBRPMMDMTHMPFX-KGLIPLIRSA-N 1 3 241.423 1.968 20 0 BDADHO CCCCN(C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422712483 387625580 /nfs/dbraw/zinc/62/55/80/387625580.db2.gz OHIRKFQXEDKTNB-NEPJUHHUSA-N 1 3 215.385 1.434 20 0 BDADHO CC(C)N(C)CCC[NH2+]CC1=CCCOC1 ZINC000124642593 387625656 /nfs/dbraw/zinc/62/56/56/387625656.db2.gz BSMCRKSHPORXCW-UHFFFAOYSA-N 1 3 226.364 1.653 20 0 BDADHO Cc1n[nH]c(C)c1C[NH2+]CC(C)(C)CN(C)C ZINC000036864515 387555700 /nfs/dbraw/zinc/55/57/00/387555700.db2.gz KDJHCFIJJZVZII-UHFFFAOYSA-N 1 3 238.379 1.704 20 0 BDADHO C[C@H](NCCCC[NH3+])c1nc2ccccc2n1C ZINC000037715008 387565215 /nfs/dbraw/zinc/56/52/15/387565215.db2.gz GQNYFYUUZNULON-NSHDSACASA-N 1 3 246.358 1.963 20 0 BDADHO COC(=O)c1cc(CNCCCC[NH3+])oc1C ZINC000037715517 387565521 /nfs/dbraw/zinc/56/55/21/387565521.db2.gz TUIOMGLFVOBGGT-UHFFFAOYSA-N 1 3 240.303 1.203 20 0 BDADHO C[C@@H](NCCC[NH3+])c1ccc(-n2ccnc2)cc1 ZINC000037713527 387565619 /nfs/dbraw/zinc/56/56/19/387565619.db2.gz NPCTYWOKASUTJS-GFCCVEGCSA-N 1 3 244.342 1.872 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CCC[C@H]1CN ZINC000422724548 387633860 /nfs/dbraw/zinc/63/38/60/387633860.db2.gz VYQDRJDHWBNTRY-STQMWFEESA-N 1 3 236.363 1.299 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CCCCCOC)C1 ZINC000430605999 387634077 /nfs/dbraw/zinc/63/40/77/387634077.db2.gz VBUIXCXDSVQAEC-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO Cc1ccn2cc(CN[C@H](C)CCC[NH3+])nc2c1 ZINC000422720551 387634320 /nfs/dbraw/zinc/63/43/20/387634320.db2.gz SRMJWELTJFFRCI-GFCCVEGCSA-N 1 3 246.358 1.860 20 0 BDADHO C[C@H](NCCc1ccc(F)cc1)C1C[NH2+]C1 ZINC000422729598 387637840 /nfs/dbraw/zinc/63/78/40/387637840.db2.gz KYOBTPDNOQCYKE-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO C[C@H]([NH2+]CCc1ccc(F)cc1)C1CNC1 ZINC000422729598 387637845 /nfs/dbraw/zinc/63/78/45/387637845.db2.gz KYOBTPDNOQCYKE-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000422730617 387638777 /nfs/dbraw/zinc/63/87/77/387638777.db2.gz MIEDPHMQKXWFHR-NEPJUHHUSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCc1ccc2c(c1)CCO2 ZINC000422730617 387638780 /nfs/dbraw/zinc/63/87/80/387638780.db2.gz MIEDPHMQKXWFHR-NEPJUHHUSA-N 1 3 248.370 1.879 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]CC1CCSCC1 ZINC000422730873 387638865 /nfs/dbraw/zinc/63/88/65/387638865.db2.gz MPGCTIHLRBDEEA-ZJUUUORDSA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@@H]1CCCCN1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422729318 387639079 /nfs/dbraw/zinc/63/90/79/387639079.db2.gz KKICXXWOTUECHC-GXTWGEPZSA-N 1 3 239.407 1.448 20 0 BDADHO COc1ccc(CCN[C@@H](C)C2C[NH2+]C2)cc1 ZINC000422736687 387642455 /nfs/dbraw/zinc/64/24/55/387642455.db2.gz WGCAVGGKABTUFM-NSHDSACASA-N 1 3 234.343 1.435 20 0 BDADHO COc1ccc(CC[NH2+][C@@H](C)C2CNC2)cc1 ZINC000422736687 387642459 /nfs/dbraw/zinc/64/24/59/387642459.db2.gz WGCAVGGKABTUFM-NSHDSACASA-N 1 3 234.343 1.435 20 0 BDADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)N(C)C ZINC000422736578 387643304 /nfs/dbraw/zinc/64/33/04/387643304.db2.gz GQQQNFDNMVKPHP-KCQAQPDRSA-N 1 3 249.402 1.485 20 0 BDADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N(C)C ZINC000422736577 387643437 /nfs/dbraw/zinc/64/34/37/387643437.db2.gz GQQQNFDNMVKPHP-IPYPFGDCSA-N 1 3 249.402 1.485 20 0 BDADHO C[N@H+](CCCN1CCCCC1)C[C@@H]1CCCO1 ZINC000125100590 387643649 /nfs/dbraw/zinc/64/36/49/387643649.db2.gz IYRSPALLCRFUOO-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[N@@H+](CCCN1CCCCC1)C[C@@H]1CCCO1 ZINC000125100590 387643656 /nfs/dbraw/zinc/64/36/56/387643656.db2.gz IYRSPALLCRFUOO-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430729108 387644822 /nfs/dbraw/zinc/64/48/22/387644822.db2.gz FGASFDFLWFKKRH-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000422737407 387645140 /nfs/dbraw/zinc/64/51/40/387645140.db2.gz IAOIYJJKTMDZLR-WZRBSPASSA-N 1 3 225.380 1.199 20 0 BDADHO C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)N(C)C1CC1 ZINC000422747236 387650429 /nfs/dbraw/zinc/65/04/29/387650429.db2.gz YDXHFJXXLXOMHQ-NQBHXWOUSA-N 1 3 225.380 1.057 20 0 BDADHO CC[C@H](NC[C@@H](C)N(C)C1CC1)[C@@H]1CCC[NH2+]1 ZINC000422746222 387650974 /nfs/dbraw/zinc/65/09/74/387650974.db2.gz WEWVQQOOCRDDPK-XBFCOCLRSA-N 1 3 239.407 1.589 20 0 BDADHO CCN(CC)CC[NH2+][C@@H](C)c1cnccc1N ZINC000422747143 387651268 /nfs/dbraw/zinc/65/12/68/387651268.db2.gz PFWVLGMFWUXJAO-NSHDSACASA-N 1 3 236.363 1.487 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422747457 387651315 /nfs/dbraw/zinc/65/13/15/387651315.db2.gz YSMISYMCUHVGNP-IACUBPJLSA-N 1 3 237.391 1.473 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CCN(C2CC2)C1 ZINC000422747457 387651317 /nfs/dbraw/zinc/65/13/17/387651317.db2.gz YSMISYMCUHVGNP-IACUBPJLSA-N 1 3 237.391 1.473 20 0 BDADHO CC(C)(C)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422751972 387655627 /nfs/dbraw/zinc/65/56/27/387655627.db2.gz CBQDEZIFCUJDRR-ZGVCCVRISA-N 1 3 240.391 1.656 20 0 BDADHO CCCC[C@H](COC)N[C@@H](C)C1C[NH2+]C1 ZINC000422749838 387656065 /nfs/dbraw/zinc/65/60/65/387656065.db2.gz BCTOMCQACMIFHK-CMPLNLGQSA-N 1 3 214.353 1.389 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@@H](C)C1CNC1 ZINC000422749838 387656070 /nfs/dbraw/zinc/65/60/70/387656070.db2.gz BCTOMCQACMIFHK-CMPLNLGQSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN(C)Cc1ccccc1 ZINC000422756562 387660651 /nfs/dbraw/zinc/66/06/51/387660651.db2.gz JASJJMUORMQZBC-UONOGXRCSA-N 1 3 249.402 1.834 20 0 BDADHO COc1cccc(CCCN2CC[C@@H](C[NH3+])C2)c1 ZINC000430964314 387665383 /nfs/dbraw/zinc/66/53/83/387665383.db2.gz YSCRIXLMDQEEDE-AWEZNQCLSA-N 1 3 248.370 1.908 20 0 BDADHO COc1cccc(CCC[N@@H+]2CC[C@@H](CN)C2)c1 ZINC000430964314 387665387 /nfs/dbraw/zinc/66/53/87/387665387.db2.gz YSCRIXLMDQEEDE-AWEZNQCLSA-N 1 3 248.370 1.908 20 0 BDADHO COc1cccc(CCC[N@H+]2CC[C@@H](CN)C2)c1 ZINC000430964314 387665393 /nfs/dbraw/zinc/66/53/93/387665393.db2.gz YSCRIXLMDQEEDE-AWEZNQCLSA-N 1 3 248.370 1.908 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422764155 387665903 /nfs/dbraw/zinc/66/59/03/387665903.db2.gz URLJKORSICJFGJ-OUAUKWLOSA-N 1 3 216.394 1.716 20 0 BDADHO CSC[C@H](C)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422764155 387665907 /nfs/dbraw/zinc/66/59/07/387665907.db2.gz URLJKORSICJFGJ-OUAUKWLOSA-N 1 3 216.394 1.716 20 0 BDADHO CCCCOCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422776539 387672579 /nfs/dbraw/zinc/67/25/79/387672579.db2.gz CVTHXIIOKTYXJF-RWMBFGLXSA-N 1 3 244.379 1.145 20 0 BDADHO C[C@@H]([NH2+]CCCOC1CCCCC1)C1CNC1 ZINC000422779297 387678160 /nfs/dbraw/zinc/67/81/60/387678160.db2.gz FTMUTBKIDGDCAY-GFCCVEGCSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](NCCCOC1CCCCC1)C1C[NH2+]C1 ZINC000422779297 387678163 /nfs/dbraw/zinc/67/81/63/387678163.db2.gz FTMUTBKIDGDCAY-GFCCVEGCSA-N 1 3 240.391 1.923 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422793532 387696300 /nfs/dbraw/zinc/69/63/00/387696300.db2.gz SHZZSMKNWQBLIN-PJIALRRASA-N 1 3 238.375 1.817 20 0 BDADHO COC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C(C)C ZINC000422781696 387680531 /nfs/dbraw/zinc/68/05/31/387680531.db2.gz MILHXGWNGFLXJQ-XQQFMLRXSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000422781696 387680537 /nfs/dbraw/zinc/68/05/37/387680537.db2.gz MILHXGWNGFLXJQ-XQQFMLRXSA-N 1 3 228.380 1.635 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCOCC1CC1 ZINC000422782233 387681576 /nfs/dbraw/zinc/68/15/76/387681576.db2.gz JPLHJQIFPTWLDH-OCCSQVGLSA-N 1 3 240.391 1.781 20 0 BDADHO COCCOCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422784342 387683646 /nfs/dbraw/zinc/68/36/46/387683646.db2.gz LVSBYRFHSCOLOL-STQMWFEESA-N 1 3 244.379 1.017 20 0 BDADHO O[C@H]1CCCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422786763 387687600 /nfs/dbraw/zinc/68/76/00/387687600.db2.gz QQZJEJWYXIJEDV-YIPFDTCYSA-N 1 3 238.375 1.410 20 0 BDADHO CCOC[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000044688327 387689308 /nfs/dbraw/zinc/68/93/08/387689308.db2.gz FENNUXIFLWGNER-LBPRGKRZSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000128290173 387743141 /nfs/dbraw/zinc/74/31/41/387743141.db2.gz LKNBBQOHTSMJFG-AWEZNQCLSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H](NCCN1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422862096 387744452 /nfs/dbraw/zinc/74/44/52/387744452.db2.gz NJVMRFHSXYPWOY-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@H](NCCN1CCCC[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422862089 387745156 /nfs/dbraw/zinc/74/51/56/387745156.db2.gz NJVMRFHSXYPWOY-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO C[C@@H]([NH3+])CN[C@H]1CCc2ccccc2C1 ZINC000643526186 387750713 /nfs/dbraw/zinc/75/07/13/387750713.db2.gz SERSRVNBLGIYGY-MFKMUULPSA-N 1 3 204.317 1.481 20 0 BDADHO C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCS1 ZINC000422877109 387754580 /nfs/dbraw/zinc/75/45/80/387754580.db2.gz QZYJIQAUKRPSCD-MBYGNEARSA-N 1 3 226.389 1.755 20 0 BDADHO CN(CC[NH2+]C1CCNCC1)c1ccccc1 ZINC000422806066 387705061 /nfs/dbraw/zinc/70/50/61/387705061.db2.gz HSGBBEQTMZFBFP-UHFFFAOYSA-N 1 3 233.359 1.464 20 0 BDADHO CO[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000422806900 387706345 /nfs/dbraw/zinc/70/63/45/387706345.db2.gz IWWDIMFAIYLITC-OUAUKWLOSA-N 1 3 216.369 1.763 20 0 BDADHO CCN(CCN[C@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000422876968 387755344 /nfs/dbraw/zinc/75/53/44/387755344.db2.gz GZWOECFOXCBDKJ-JSGCOSHPSA-N 1 3 239.407 1.448 20 0 BDADHO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000422813623 387712455 /nfs/dbraw/zinc/71/24/55/387712455.db2.gz YHCPUBMYVBPSNS-AGIUHOORSA-N 1 3 230.396 1.747 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000422817007 387713700 /nfs/dbraw/zinc/71/37/00/387713700.db2.gz BYOWSWOYKPKSST-WUHRBBMRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@]1(C)CCCC[C@H]1O ZINC000422817007 387713706 /nfs/dbraw/zinc/71/37/06/387713706.db2.gz BYOWSWOYKPKSST-WUHRBBMRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCCN(C)c1ccccc1 ZINC000422814774 387714344 /nfs/dbraw/zinc/71/43/44/387714344.db2.gz WBBIPPGBKFVHAV-OLZOCXBDSA-N 1 3 235.375 1.838 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000643521784 387716075 /nfs/dbraw/zinc/71/60/75/387716075.db2.gz BNGGJORYQXSYBG-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NC[C@]1(C)CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000422818696 387717031 /nfs/dbraw/zinc/71/70/31/387717031.db2.gz GXFFTKIMJFPOLM-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)C1CNC1 ZINC000422818696 387717037 /nfs/dbraw/zinc/71/70/37/387717037.db2.gz GXFFTKIMJFPOLM-DRZSPHRISA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](NC[C@]1(C)CCCC[C@H]1O)C1C[NH2+]C1 ZINC000422818697 387717265 /nfs/dbraw/zinc/71/72/65/387717265.db2.gz GXFFTKIMJFPOLM-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)C1CNC1 ZINC000422818697 387717271 /nfs/dbraw/zinc/71/72/71/387717271.db2.gz GXFFTKIMJFPOLM-UHTWSYAYSA-N 1 3 226.364 1.125 20 0 BDADHO CC(C)C[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000422821686 387718230 /nfs/dbraw/zinc/71/82/30/387718230.db2.gz XVVCJVKNXTZNKS-BFHYXJOUSA-N 1 3 241.423 1.550 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1cccnc1 ZINC000422824016 387719849 /nfs/dbraw/zinc/71/98/49/387719849.db2.gz FXTSLLYVHCYBKK-ZIAGYGMSSA-N 1 3 233.359 1.874 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000127568818 387719864 /nfs/dbraw/zinc/71/98/64/387719864.db2.gz YSQPBSRTIRMHFU-MJBXVCDLSA-N 1 3 241.423 1.647 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422830283 387724412 /nfs/dbraw/zinc/72/44/12/387724412.db2.gz CKFKHSUWXSZXDK-CHWSQXEVSA-N 1 3 236.363 1.441 20 0 BDADHO Cc1nccn1CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422830283 387724416 /nfs/dbraw/zinc/72/44/16/387724416.db2.gz CKFKHSUWXSZXDK-CHWSQXEVSA-N 1 3 236.363 1.441 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCCNCC1)C1CCCC1 ZINC000643523200 387724768 /nfs/dbraw/zinc/72/47/68/387724768.db2.gz XLTYNTNXPSOLHH-KGLIPLIRSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@H](N[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523200 387724775 /nfs/dbraw/zinc/72/47/75/387724775.db2.gz XLTYNTNXPSOLHH-KGLIPLIRSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128055112 387734189 /nfs/dbraw/zinc/73/41/89/387734189.db2.gz SSCZUFZLJGZCTH-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128055112 387734194 /nfs/dbraw/zinc/73/41/94/387734194.db2.gz SSCZUFZLJGZCTH-XQQFMLRXSA-N 1 3 226.364 1.364 20 0 BDADHO CO[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1(C)C ZINC000422852702 387737570 /nfs/dbraw/zinc/73/75/70/387737570.db2.gz RDBQETJDAOUJQK-NRUFJFEESA-N 1 3 238.375 1.673 20 0 BDADHO CC[C@@H](CCO)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422858930 387741983 /nfs/dbraw/zinc/74/19/83/387741983.db2.gz GSXBLUAZKJHEMO-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@H](O)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422894352 387765222 /nfs/dbraw/zinc/76/52/22/387765222.db2.gz SYFBSPITXQUFSA-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@H](O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422894352 387765226 /nfs/dbraw/zinc/76/52/26/387765226.db2.gz SYFBSPITXQUFSA-SRVKXCTJSA-N 1 3 214.353 1.125 20 0 BDADHO COC[C@@H](NC[C@H](C)[NH3+])C1CCCC1 ZINC000643527547 387766113 /nfs/dbraw/zinc/76/61/13/387766113.db2.gz OJCCCXTZFYGACB-GXSJLCMTSA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@H](NC[C@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000422898545 387766846 /nfs/dbraw/zinc/76/68/46/387766846.db2.gz FIJQALZGYBTYNZ-AGIUHOORSA-N 1 3 225.380 1.201 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422909696 387768397 /nfs/dbraw/zinc/76/83/97/387768397.db2.gz OSZGGGJHECWEGY-MJBXVCDLSA-N 1 3 239.407 1.448 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422915040 387771232 /nfs/dbraw/zinc/77/12/32/387771232.db2.gz AMJMKPUFFJMUPM-AVGNSLFASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000643528819 387772010 /nfs/dbraw/zinc/77/20/10/387772010.db2.gz PLFHSWZBSUMVPL-NRUUGDAUSA-N 1 3 204.317 1.857 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000422920063 387774876 /nfs/dbraw/zinc/77/48/76/387774876.db2.gz LNMPKJZHPNSNIZ-GRYCIOLGSA-N 1 3 226.364 1.519 20 0 BDADHO Cc1cccc(NCC[NH2+][C@@H]2CCC[C@H]2N)n1 ZINC000422922806 387777502 /nfs/dbraw/zinc/77/75/02/387777502.db2.gz UPADZDJWWZBJSB-VXGBXAGGSA-N 1 3 234.347 1.271 20 0 BDADHO C[C@H](C[C@H]1CCCO1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422902766 387787109 /nfs/dbraw/zinc/78/71/09/387787109.db2.gz NMBNHLHZJBMVRC-SYCZCVCYSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000422903631 387787747 /nfs/dbraw/zinc/78/77/47/387787747.db2.gz OQHBDOKJWHFESR-NDBYEHHHSA-N 1 3 226.364 1.532 20 0 BDADHO CCOCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422902166 387787777 /nfs/dbraw/zinc/78/77/77/387787777.db2.gz TXNAAWZBKFVTDT-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCC(C)(C)CO ZINC000422989719 387797832 /nfs/dbraw/zinc/79/78/32/387797832.db2.gz BGEWDJPQRQCFMH-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)CCCO ZINC000422989461 387797937 /nfs/dbraw/zinc/79/79/37/387797937.db2.gz LWGSGAPOYPQTGE-STQMWFEESA-N 1 3 242.407 1.763 20 0 BDADHO OCCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000157449154 387798707 /nfs/dbraw/zinc/79/87/07/387798707.db2.gz RDLVTIBAYQNYFY-OLZOCXBDSA-N 1 3 238.375 1.365 20 0 BDADHO OCCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000157449154 387798710 /nfs/dbraw/zinc/79/87/10/387798710.db2.gz RDLVTIBAYQNYFY-OLZOCXBDSA-N 1 3 238.375 1.365 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1NCCn1cccn1 ZINC000422993566 387801797 /nfs/dbraw/zinc/80/17/97/387801797.db2.gz RMRQQYFSLCWWFH-RYUDHWBXSA-N 1 3 222.336 1.133 20 0 BDADHO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000423001880 387807736 /nfs/dbraw/zinc/80/77/36/387807736.db2.gz ITJXQEKOMDPROM-KGLIPLIRSA-N 1 3 234.343 1.973 20 0 BDADHO CC(C)N(C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422882529 387758078 /nfs/dbraw/zinc/75/80/78/387758078.db2.gz SMNSRPVSWGNUNQ-STQMWFEESA-N 1 3 227.396 1.304 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882301 387758271 /nfs/dbraw/zinc/75/82/71/387758271.db2.gz ZWPKZVNPPSAFJH-RKOXZLIFSA-N 1 3 249.402 1.342 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H](C)[NH3+])C1(CC)CC ZINC000643526634 387758579 /nfs/dbraw/zinc/75/85/79/387758579.db2.gz CQVIHYBTMKDOHI-GRYCIOLGSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000422883164 387758671 /nfs/dbraw/zinc/75/86/71/387758671.db2.gz BSQBQSWXOTWFGM-JZRPKSSGSA-N 1 3 226.364 1.659 20 0 BDADHO CCO[C@@H]1C[C@H](NC[C@@H](C)[NH3+])C12CCC2 ZINC000643526970 387760971 /nfs/dbraw/zinc/76/09/71/387760971.db2.gz IAUOIHKNGCPNDX-OUAUKWLOSA-N 1 3 212.337 1.271 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000432795364 387822615 /nfs/dbraw/zinc/82/26/15/387822615.db2.gz WLPRXZIGDZLZMW-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000432795364 387822618 /nfs/dbraw/zinc/82/26/18/387822618.db2.gz WLPRXZIGDZLZMW-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@H]1CC[NH2+]CC[C@H]1C ZINC000422975464 387822760 /nfs/dbraw/zinc/82/27/60/387822760.db2.gz GUPLPVVXPSDNHT-NOOOWODRSA-N 1 3 246.420 1.077 20 0 BDADHO CCCC(O)(CCC)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422975003 387822823 /nfs/dbraw/zinc/82/28/23/387822823.db2.gz GCCUQIVGAIJADV-NEPJUHHUSA-N 1 3 228.380 1.787 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423004146 387827202 /nfs/dbraw/zinc/82/72/02/387827202.db2.gz JIFHZHQLVICQEJ-MJBXVCDLSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)C1C[NH2+]C1 ZINC000423006154 387828725 /nfs/dbraw/zinc/82/87/25/387828725.db2.gz UIAIZFHUOFYVSQ-COPLHBTASA-N 1 3 246.354 1.749 20 0 BDADHO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C1CNC1 ZINC000423006154 387828731 /nfs/dbraw/zinc/82/87/31/387828731.db2.gz UIAIZFHUOFYVSQ-COPLHBTASA-N 1 3 246.354 1.749 20 0 BDADHO CCC[C@H](CCO)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423007521 387829982 /nfs/dbraw/zinc/82/99/82/387829982.db2.gz QUBBOKFUKCPODU-UPJWGTAASA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H]([NH2+]CCC1Cc2ccccc2C1)C1CNC1 ZINC000423009160 387831600 /nfs/dbraw/zinc/83/16/00/387831600.db2.gz CIVABWRKWXEWLI-LBPRGKRZSA-N 1 3 244.382 1.989 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCNc1ccccn1 ZINC000423010830 387833396 /nfs/dbraw/zinc/83/33/96/387833396.db2.gz YNXBKQPGMXJUKM-WDEREUQCSA-N 1 3 222.336 1.209 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000423011198 387833553 /nfs/dbraw/zinc/83/35/53/387833553.db2.gz APROJLBOGHVRNY-XQQFMLRXSA-N 1 3 240.391 1.501 20 0 BDADHO Cc1cnccc1CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423012552 387836570 /nfs/dbraw/zinc/83/65/70/387836570.db2.gz KWNLIQCRHOQURD-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cnccc1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423012552 387836574 /nfs/dbraw/zinc/83/65/74/387836574.db2.gz KWNLIQCRHOQURD-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cncc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423018375 387840611 /nfs/dbraw/zinc/84/06/11/387840611.db2.gz YSPUZUUZZDGTPW-ZIAGYGMSSA-N 1 3 233.359 1.997 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423073906 387873616 /nfs/dbraw/zinc/87/36/16/387873616.db2.gz SONWTBNHXVBDJS-YFKTTZPYSA-N 1 3 212.337 1.142 20 0 BDADHO CC[C@H](Cc1cccs1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000643533405 387846331 /nfs/dbraw/zinc/84/63/31/387846331.db2.gz RCRQBCHSOYWCMQ-XEZLXBQYSA-N 1 3 236.384 1.877 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000423032736 387849819 /nfs/dbraw/zinc/84/98/19/387849819.db2.gz NBGCKNMQVKTMKI-UMSGYPCISA-N 1 3 225.380 1.199 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000423043319 387854918 /nfs/dbraw/zinc/85/49/18/387854918.db2.gz OIQFHGDNZXPCNK-RDBSUJKOSA-N 1 3 240.391 1.923 20 0 BDADHO CC1=CCN(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423042026 387856265 /nfs/dbraw/zinc/85/62/65/387856265.db2.gz YGTVDUFVNWYYHI-YIONKMFJSA-N 1 3 249.402 1.511 20 0 BDADHO Cc1ccccc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193611470 387857771 /nfs/dbraw/zinc/85/77/71/387857771.db2.gz DBZNNPFMHMCITQ-GASCZTMLSA-N 1 3 230.355 1.988 20 0 BDADHO Cc1ccccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193611470 387857775 /nfs/dbraw/zinc/85/77/75/387857775.db2.gz DBZNNPFMHMCITQ-GASCZTMLSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@H](CCC[NH3+])N[C@H]1COc2ccc(F)cc21 ZINC000423054367 387862789 /nfs/dbraw/zinc/86/27/89/387862789.db2.gz UQBXIEIXGUZZOX-SKDRFNHKSA-N 1 3 238.306 1.976 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+]CCOc1ncccc1F ZINC000423002904 387863345 /nfs/dbraw/zinc/86/33/45/387863345.db2.gz ZUJLYBXLKMPPKE-MNOVXSKESA-N 1 3 239.294 1.069 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1ncccc1F ZINC000423002905 387863387 /nfs/dbraw/zinc/86/33/87/387863387.db2.gz ZUJLYBXLKMPPKE-QWRGUYRKSA-N 1 3 239.294 1.069 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000423060696 387864922 /nfs/dbraw/zinc/86/49/22/387864922.db2.gz PASANMSELWYRJS-MBJXGIAVSA-N 1 3 238.375 1.532 20 0 BDADHO CO[C@H](C)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423061531 387866049 /nfs/dbraw/zinc/86/60/49/387866049.db2.gz RCACSCYVTULACC-VWYCJHECSA-N 1 3 200.326 1.271 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1cnccc1C ZINC000629529402 387874661 /nfs/dbraw/zinc/87/46/61/387874661.db2.gz BITDWHJQRCQIHO-LBPRGKRZSA-N 1 3 237.347 1.277 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@H]1CCCCN1 ZINC000423061977 387868563 /nfs/dbraw/zinc/86/85/63/387868563.db2.gz LXVXXQXYICLIRO-JHJVBQTASA-N 1 3 248.374 1.318 20 0 BDADHO CC[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000422964886 387813698 /nfs/dbraw/zinc/81/36/98/387813698.db2.gz MYWUHQHYJYPNBQ-IHRRRGAJSA-N 1 3 239.407 1.591 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N1CCCC1 ZINC000422965261 387815038 /nfs/dbraw/zinc/81/50/38/387815038.db2.gz OFIZJJDCORFBGH-AGIUHOORSA-N 1 3 225.380 1.330 20 0 BDADHO CC(C)[NH+]1CCC(NCC23CC(C2)CO3)CC1 ZINC000527975850 387815253 /nfs/dbraw/zinc/81/52/53/387815253.db2.gz AHRBZJXQXYXGCF-UHFFFAOYSA-N 1 3 238.375 1.628 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)CO ZINC000422966454 387816001 /nfs/dbraw/zinc/81/60/01/387816001.db2.gz ACBVTKIODDVOTQ-SGMGOOAPSA-N 1 3 236.359 1.163 20 0 BDADHO CN1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000194540798 387889550 /nfs/dbraw/zinc/88/95/50/387889550.db2.gz CEGKMAZWXBJMSL-TXEJJXNPSA-N 1 3 222.357 1.742 20 0 BDADHO CN1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000194540798 387889552 /nfs/dbraw/zinc/88/95/52/387889552.db2.gz CEGKMAZWXBJMSL-TXEJJXNPSA-N 1 3 222.357 1.742 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CC=CCC1 ZINC000423106246 387891430 /nfs/dbraw/zinc/89/14/30/387891430.db2.gz ZLHXKHAPJRRQPY-UONOGXRCSA-N 1 3 237.391 1.226 20 0 BDADHO C[C@H]1CSC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107590 387891575 /nfs/dbraw/zinc/89/15/75/387891575.db2.gz KZOGGVKIZJWVAA-GDGRRUBZSA-N 1 3 226.389 1.611 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccc2c[nH]nc2c1 ZINC000423110099 387892572 /nfs/dbraw/zinc/89/25/72/387892572.db2.gz ULVNKMCNVAGXRL-GHMZBOCLSA-N 1 3 246.358 1.821 20 0 BDADHO Cc1cccc(CCCN[C@H]2CCC[C@H]2[NH3+])n1 ZINC000423112828 387895369 /nfs/dbraw/zinc/89/53/69/387895369.db2.gz YBPCIVIGPDDNGU-KGLIPLIRSA-N 1 3 233.359 1.792 20 0 BDADHO CO[C@H](CC[NH2+][C@@H](C)C[C@H](C)N)C(F)(F)F ZINC000423076597 387876769 /nfs/dbraw/zinc/87/67/69/387876769.db2.gz ZJBXFETUMAQFDP-XHNCKOQMSA-N 1 3 242.285 1.669 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H]1N ZINC000423084028 387878461 /nfs/dbraw/zinc/87/84/61/387878461.db2.gz HABBINULQZYILW-IJLUTSLNSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H](NC[C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000423088988 387880569 /nfs/dbraw/zinc/88/05/69/387880569.db2.gz UCTBKQQUKXKCMU-GRYCIOLGSA-N 1 3 228.405 1.860 20 0 BDADHO CCSCCC[NH2+][C@@H](C)C1CNC1 ZINC000423117263 387898647 /nfs/dbraw/zinc/89/86/47/387898647.db2.gz UOSGMPLPPYTQEE-VIFPVBQESA-N 1 3 202.367 1.327 20 0 BDADHO CCSCCCN[C@@H](C)C1C[NH2+]C1 ZINC000423117263 387898649 /nfs/dbraw/zinc/89/86/49/387898649.db2.gz UOSGMPLPPYTQEE-VIFPVBQESA-N 1 3 202.367 1.327 20 0 BDADHO CCSCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423117903 387898796 /nfs/dbraw/zinc/89/87/96/387898796.db2.gz XTIWEDPJXXDWRD-IJLUTSLNSA-N 1 3 246.420 1.472 20 0 BDADHO C[C@@H](NCCc1ccc2[nH]ccc2c1)C1C[NH2+]C1 ZINC000423101580 387888348 /nfs/dbraw/zinc/88/83/48/387888348.db2.gz NQIMBOORDKAVKC-LLVKDONJSA-N 1 3 243.354 1.908 20 0 BDADHO C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)C1CNC1 ZINC000423101580 387888355 /nfs/dbraw/zinc/88/83/55/387888355.db2.gz NQIMBOORDKAVKC-LLVKDONJSA-N 1 3 243.354 1.908 20 0 BDADHO C[C@H](NC[C@H]1COc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000423125959 387905997 /nfs/dbraw/zinc/90/59/97/387905997.db2.gz RAXTUHUCWIZRQS-AVGNSLFASA-N 1 3 246.354 1.750 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](CO)CC1CCC1 ZINC000423130151 387907387 /nfs/dbraw/zinc/90/73/87/387907387.db2.gz MOXQEZIWFNJWIA-JBLDHEPKSA-N 1 3 214.353 1.253 20 0 BDADHO Cc1nccnc1CC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000423132001 387908891 /nfs/dbraw/zinc/90/88/91/387908891.db2.gz IOWIQVLUFNCWCH-DGCLKSJQSA-N 1 3 248.374 1.448 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCCF ZINC000423132119 387909600 /nfs/dbraw/zinc/90/96/00/387909600.db2.gz BORCZYCRWRYQGM-GHMZBOCLSA-N 1 3 202.317 1.714 20 0 BDADHO CC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423133827 387912569 /nfs/dbraw/zinc/91/25/69/387912569.db2.gz DDAXNKAQAWMBJM-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCNCC[C@H]1C)OC ZINC000423133827 387912573 /nfs/dbraw/zinc/91/25/73/387912573.db2.gz DDAXNKAQAWMBJM-UTUOFQBUSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423154842 387934340 /nfs/dbraw/zinc/93/43/40/387934340.db2.gz KDEIHARKUHFWGZ-QCNOEVLYSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCC[C@@H]1O ZINC000423154842 387934341 /nfs/dbraw/zinc/93/43/41/387934341.db2.gz KDEIHARKUHFWGZ-QCNOEVLYSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423155993 387935574 /nfs/dbraw/zinc/93/55/74/387935574.db2.gz KJTCLAPGLDPNNC-UPJWGTAASA-N 1 3 228.380 1.373 20 0 BDADHO CC[C@H](NC[C@H](CO)C1CC1)[C@@H]1CCCC[NH2+]1 ZINC000423143581 387921298 /nfs/dbraw/zinc/92/12/98/387921298.db2.gz XKQHVDNSNPEDLE-RDBSUJKOSA-N 1 3 240.391 1.515 20 0 BDADHO COC[C@@H](CCC[NH3+])N[C@@H]1CCC[C@@H]1F ZINC000423149172 387927214 /nfs/dbraw/zinc/92/72/14/387927214.db2.gz XHOQXBIRCFNMEK-OUAUKWLOSA-N 1 3 218.316 1.221 20 0 BDADHO CC(C)(CN[C@@H]1CCC[C@@H]1[NH3+])C1(O)CCCC1 ZINC000423157867 387937164 /nfs/dbraw/zinc/93/71/64/387937164.db2.gz BTICYTLJJLWTHB-NWDGAFQWSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@@H](CCO)CCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423148595 387927505 /nfs/dbraw/zinc/92/75/05/387927505.db2.gz WBZVPNXYIDESPT-AGIUHOORSA-N 1 3 228.380 1.515 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000423167342 387951857 /nfs/dbraw/zinc/95/18/57/387951857.db2.gz SDWYMJABGNGWHA-YVECIDJPSA-N 1 3 226.364 1.804 20 0 BDADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000424289154 387951896 /nfs/dbraw/zinc/95/18/96/387951896.db2.gz BKYMWHVCEYOCDY-ZIAGYGMSSA-N 1 3 234.343 1.925 20 0 BDADHO C[C@H]([C@@H]1CC[NH2+]C1)N1CCC[C@]2(CCOC2)C1 ZINC000423167113 387952695 /nfs/dbraw/zinc/95/26/95/387952695.db2.gz WMKSVEHKIYIEAZ-MCIONIFRSA-N 1 3 238.375 1.487 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)NC2CC2)c1 ZINC000424237393 387942064 /nfs/dbraw/zinc/94/20/64/387942064.db2.gz KDQBSPKHCNNESY-SNVBAGLBSA-N 1 3 247.342 1.533 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2=CCN(C)CC2)[C@H](C)O1 ZINC000392234620 387942921 /nfs/dbraw/zinc/94/29/21/387942921.db2.gz DDEUKDUHCDJRCV-MDZLAQPJSA-N 1 3 224.348 1.404 20 0 BDADHO CCC1(CN[C@@H]2C[NH2+]CC[C@H]2C)COC1 ZINC000423161652 387943854 /nfs/dbraw/zinc/94/38/54/387943854.db2.gz NYKBXEYBBBKEKD-GHMZBOCLSA-N 1 3 212.337 1.001 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000423162301 387944103 /nfs/dbraw/zinc/94/41/03/387944103.db2.gz PAFCCNYHAZZDGV-NXEZZACHSA-N 1 3 216.369 1.499 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)C(C)(C)O ZINC000423162301 387944108 /nfs/dbraw/zinc/94/41/08/387944108.db2.gz PAFCCNYHAZZDGV-NXEZZACHSA-N 1 3 216.369 1.499 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCC[C@H]2CCOC2)C1 ZINC000645802429 387945495 /nfs/dbraw/zinc/94/54/95/387945495.db2.gz MVTPCVHTVDMUBU-UONOGXRCSA-N 1 3 240.391 1.687 20 0 BDADHO CC1(C)COC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165801 387947878 /nfs/dbraw/zinc/94/78/78/387947878.db2.gz UXSKDKOUNXTFAE-MBYGNEARSA-N 1 3 224.348 1.284 20 0 BDADHO CC[C@@H](O)[C@@H](CC)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423165742 387948002 /nfs/dbraw/zinc/94/80/02/387948002.db2.gz UUQLUMKFWSHTRC-NRUFJFEESA-N 1 3 226.364 1.409 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423165444 387948758 /nfs/dbraw/zinc/94/87/58/387948758.db2.gz XXTJBVLGEKRCCY-IJLUTSLNSA-N 1 3 228.380 1.514 20 0 BDADHO CCN(C)CC[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000158772981 387961244 /nfs/dbraw/zinc/96/12/44/387961244.db2.gz OJCBEEGCSPXYIX-OLZOCXBDSA-N 1 3 227.396 1.258 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000423176490 387961827 /nfs/dbraw/zinc/96/18/27/387961827.db2.gz GCQWOMJNJXVTCQ-DHGKCCLASA-N 1 3 240.391 1.920 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+]CC2(N)CCCCC2)C1 ZINC000423179880 387966891 /nfs/dbraw/zinc/96/68/91/387966891.db2.gz MRUGVSCJBKOMFX-QWHCGFSZSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@H](NCCC[NH3+])c1ccc(-n2cncn2)cc1 ZINC000423186140 387971686 /nfs/dbraw/zinc/97/16/86/387971686.db2.gz WMHCJTKMAUVVIE-NSHDSACASA-N 1 3 245.330 1.267 20 0 BDADHO COc1cccc2c1C[C@H](N[C@@H]1CCC[C@@H]1[NH3+])C2 ZINC000423170910 387957645 /nfs/dbraw/zinc/95/76/45/387957645.db2.gz NDEKUZZXBKJJLT-KWCYVHTRSA-N 1 3 246.354 1.632 20 0 BDADHO COCC[C@@H](C)CN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423171404 387957829 /nfs/dbraw/zinc/95/78/29/387957829.db2.gz OITYWNWIDJJVBT-AGIUHOORSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](Cc1cnccn1)[NH2+]CCCN1CCCC1 ZINC000453072585 387979102 /nfs/dbraw/zinc/97/91/02/387979102.db2.gz DOHCTPQEVVNMKR-CYBMUJFWSA-N 1 3 248.374 1.483 20 0 BDADHO C[C@H](Cc1cnccn1)NCCC[NH+]1CCCC1 ZINC000453072585 387979106 /nfs/dbraw/zinc/97/91/06/387979106.db2.gz DOHCTPQEVVNMKR-CYBMUJFWSA-N 1 3 248.374 1.483 20 0 BDADHO CC(C)[C@H](NCCC[NH3+])c1cccnc1 ZINC000423195463 387980197 /nfs/dbraw/zinc/98/01/97/387980197.db2.gz SPDVGLGCVJXYQR-LBPRGKRZSA-N 1 3 207.321 1.717 20 0 BDADHO CN1CC[C@H]([NH2+]C2CCNCC2)[C@H]2CCC[C@@H]21 ZINC000423191490 387975313 /nfs/dbraw/zinc/97/53/13/387975313.db2.gz UFVYZTFIAOBQKD-RDBSUJKOSA-N 1 3 237.391 1.201 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NCC[NH3+])C1(C)C ZINC000423190984 387975480 /nfs/dbraw/zinc/97/54/80/387975480.db2.gz TXHNALKLABGQQA-VHSXEESVSA-N 1 3 200.326 1.127 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[NH3+])C1(CC)CC ZINC000423192996 387977314 /nfs/dbraw/zinc/97/73/14/387977314.db2.gz WDPNAEQAMKVGRP-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO CNCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423199341 387985371 /nfs/dbraw/zinc/98/53/71/387985371.db2.gz JTXZHFVLBPLSJY-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCc2ccccc2OC1 ZINC000423198950 387986115 /nfs/dbraw/zinc/98/61/15/387986115.db2.gz ITFWDZQJPNRVAI-CYBMUJFWSA-N 1 3 234.343 1.579 20 0 BDADHO C1C[C@@H]([NH2+][C@H]2CCC[C@@H]([C@H]3CCOC3)C2)CN1 ZINC000423214186 387997522 /nfs/dbraw/zinc/99/75/22/387997522.db2.gz MGHJNHAPLLYXMD-ZOBORPQBSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@@H]([NH2+]CC[C@H](C)N)C1CCSCC1 ZINC000423222745 388003742 /nfs/dbraw/zinc/00/37/42/388003742.db2.gz CHYMSGVPUHPIPA-VHSXEESVSA-N 1 3 216.394 1.845 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246061470 388005608 /nfs/dbraw/zinc/00/56/08/388005608.db2.gz ZEQLVQKLKQDWLQ-ZDEQEGDKSA-N 1 3 238.375 1.362 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246061470 388005610 /nfs/dbraw/zinc/00/56/10/388005610.db2.gz ZEQLVQKLKQDWLQ-ZDEQEGDKSA-N 1 3 238.375 1.362 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)N ZINC000423228186 388013406 /nfs/dbraw/zinc/01/34/06/388013406.db2.gz YPTCAPBOIHTISO-SDDRHHMPSA-N 1 3 214.353 1.519 20 0 BDADHO CC[NH2+]CCN[C@@H](C)CCCc1cccnc1 ZINC000423230243 388015197 /nfs/dbraw/zinc/01/51/97/388015197.db2.gz DBHBNYVGYAHZPP-ZDUSSCGKSA-N 1 3 235.375 1.992 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423231194 388017485 /nfs/dbraw/zinc/01/74/85/388017485.db2.gz GCBXQTPZLFXCPW-MGPQQGTHSA-N 1 3 240.391 1.781 20 0 BDADHO Cn1cncc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446887449 388043085 /nfs/dbraw/zinc/04/30/85/388043085.db2.gz TWGNJOVHARZLBX-UHFFFAOYSA-N 1 3 248.374 1.384 20 0 BDADHO CC[NH2+]CCN[C@H]1CCC[C@@H]1COCC ZINC000423249844 388031329 /nfs/dbraw/zinc/03/13/29/388031329.db2.gz SOKKUEOFNYBSAY-NEPJUHHUSA-N 1 3 214.353 1.391 20 0 BDADHO COC[C@@H](NC[C@@H]([NH3+])C(C)C)C(C)C ZINC000423274185 388054735 /nfs/dbraw/zinc/05/47/35/388054735.db2.gz LNURKHDFWUUESR-GHMZBOCLSA-N 1 3 202.342 1.230 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000423285311 388069183 /nfs/dbraw/zinc/06/91/83/388069183.db2.gz ZINLJTWXOLGYCA-SDDRHHMPSA-N 1 3 216.344 1.960 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423287489 388070435 /nfs/dbraw/zinc/07/04/35/388070435.db2.gz MPSZHEIWGAYNHG-DGCLKSJQSA-N 1 3 239.407 1.576 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000423287489 388070440 /nfs/dbraw/zinc/07/04/40/388070440.db2.gz MPSZHEIWGAYNHG-DGCLKSJQSA-N 1 3 239.407 1.576 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000423287351 388071210 /nfs/dbraw/zinc/07/12/10/388071210.db2.gz LROFVWNMKASFCE-HBNTYKKESA-N 1 3 226.364 1.517 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CCO[C@H](C)C1 ZINC000423288719 388072848 /nfs/dbraw/zinc/07/28/48/388072848.db2.gz UQTJQGSUMJYFGG-GHMZBOCLSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000447584669 388080532 /nfs/dbraw/zinc/08/05/32/388080532.db2.gz GPPPMNJJMCTWBZ-JWURUJNWSA-N 1 3 237.391 1.151 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](O)C1CCC1 ZINC000643493533 388109579 /nfs/dbraw/zinc/10/95/79/388109579.db2.gz VFAPUHXEJKPVCE-UPJWGTAASA-N 1 3 226.364 1.397 20 0 BDADHO CC(C)C[C@H](CN)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000423269606 388050156 /nfs/dbraw/zinc/05/01/56/388050156.db2.gz VXIJHSVNEMPMBT-JHJVBQTASA-N 1 3 227.396 1.432 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)NC2CC2)cc1 ZINC000449129240 388146462 /nfs/dbraw/zinc/14/64/62/388146462.db2.gz URFZSJYFJCJKIA-UWVGGRQHSA-N 1 3 247.342 1.785 20 0 BDADHO CC[C@H](C(=O)N[C@H](C)CCC[NH3+])N(CC)CC ZINC000449572518 388235842 /nfs/dbraw/zinc/23/58/42/388235842.db2.gz NGXYGVADBFAUEK-VXGBXAGGSA-N 1 3 243.395 1.350 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000393374025 388380166 /nfs/dbraw/zinc/38/01/66/388380166.db2.gz IZVMSUUCAJLOKS-CHWSQXEVSA-N 1 3 242.407 1.892 20 0 BDADHO N[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300971450 388396847 /nfs/dbraw/zinc/39/68/47/388396847.db2.gz QSYVYOQPJIVBPD-BDAKNGLRSA-N 1 3 204.264 1.455 20 0 BDADHO N[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300971450 388396851 /nfs/dbraw/zinc/39/68/51/388396851.db2.gz QSYVYOQPJIVBPD-BDAKNGLRSA-N 1 3 204.264 1.455 20 0 BDADHO CO[C@H](C)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322737753 388444650 /nfs/dbraw/zinc/44/46/50/388444650.db2.gz VXVREWIVHOAPEN-GJHMDTBVSA-N 1 3 226.364 1.625 20 0 BDADHO CO[C@H](C)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322737753 388444653 /nfs/dbraw/zinc/44/46/53/388444653.db2.gz VXVREWIVHOAPEN-GJHMDTBVSA-N 1 3 226.364 1.625 20 0 BDADHO C[C@@H]1C[C@@H](C)N(CCn2cccn2)C[C@H]1C[NH3+] ZINC000397352823 388462987 /nfs/dbraw/zinc/46/29/87/388462987.db2.gz DCRHRIXNHKQUBQ-JHJVBQTASA-N 1 3 236.363 1.188 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261538043 135175811 /nfs/dbraw/zinc/17/58/11/135175811.db2.gz XGSBIOFQTSSAKU-GHMZBOCLSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000261538043 135175812 /nfs/dbraw/zinc/17/58/12/135175812.db2.gz XGSBIOFQTSSAKU-GHMZBOCLSA-N 1 3 214.353 1.328 20 0 BDADHO COCC(C)(C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000261538043 135175814 /nfs/dbraw/zinc/17/58/14/135175814.db2.gz XGSBIOFQTSSAKU-GHMZBOCLSA-N 1 3 214.353 1.328 20 0 BDADHO CCNCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000573108285 388420884 /nfs/dbraw/zinc/42/08/84/388420884.db2.gz FXMVRHVZUZYPIS-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO CC[NH2+]CCCN[C@H]1CCC12CCOCC2 ZINC000573108285 388420885 /nfs/dbraw/zinc/42/08/85/388420885.db2.gz FXMVRHVZUZYPIS-LBPRGKRZSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@H](F)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340467022 388490960 /nfs/dbraw/zinc/49/09/60/388490960.db2.gz NWNVTRXLRWMESY-QJPTWQEYSA-N 1 3 214.328 1.951 20 0 BDADHO C[C@H](F)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000340467022 388490962 /nfs/dbraw/zinc/49/09/62/388490962.db2.gz NWNVTRXLRWMESY-QJPTWQEYSA-N 1 3 214.328 1.951 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)OC ZINC000356335488 388548847 /nfs/dbraw/zinc/54/88/47/388548847.db2.gz NGVXLPHPZQUMFS-IJLUTSLNSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CS1 ZINC000397773855 388498207 /nfs/dbraw/zinc/49/82/07/388498207.db2.gz AGLUDGGQXYNYPL-WYUUTHIRSA-N 1 3 228.405 1.988 20 0 BDADHO CN(C)C1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000397903891 388510653 /nfs/dbraw/zinc/51/06/53/388510653.db2.gz WEKMFCLXONTNLH-OLZOCXBDSA-N 1 3 237.391 1.297 20 0 BDADHO CN(C)C1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000397903891 388510656 /nfs/dbraw/zinc/51/06/56/388510656.db2.gz WEKMFCLXONTNLH-OLZOCXBDSA-N 1 3 237.391 1.297 20 0 BDADHO CSC[C@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000516921787 388524390 /nfs/dbraw/zinc/52/43/90/388524390.db2.gz MMERRXQJUOJTIP-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO CSC[C@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000516921787 388524392 /nfs/dbraw/zinc/52/43/92/388524392.db2.gz MMERRXQJUOJTIP-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000352558861 388536572 /nfs/dbraw/zinc/53/65/72/388536572.db2.gz ZWVAIWNRMSQHGB-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NC[C@H](O)Cc2ccccc2)C1 ZINC000521271339 256838907 /nfs/dbraw/zinc/83/89/07/256838907.db2.gz GQYMPYXRLDRSHO-SOUVJXGZSA-N 1 3 248.370 1.450 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC000245452859 388581504 /nfs/dbraw/zinc/58/15/04/388581504.db2.gz QSLVCISOSCMGOI-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC000245452859 388581507 /nfs/dbraw/zinc/58/15/07/388581507.db2.gz QSLVCISOSCMGOI-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000247975820 388671941 /nfs/dbraw/zinc/67/19/41/388671941.db2.gz KUMZSUXRKHXCQF-UONOGXRCSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC23CCC3)[C@H]1C ZINC000530216040 388629397 /nfs/dbraw/zinc/62/93/97/388629397.db2.gz MCUPNQKACGFBTD-RHYQMDGZSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC23CCC3)[C@@H]1C ZINC000530216042 388629407 /nfs/dbraw/zinc/62/94/07/388629407.db2.gz MCUPNQKACGFBTD-WYUUTHIRSA-N 1 3 208.349 1.905 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]CC23CC(C2)CO3)c2ccccc21 ZINC000530220226 388632022 /nfs/dbraw/zinc/63/20/22/388632022.db2.gz MLYBDGMGTVQADG-MULWJCLTSA-N 1 3 244.338 1.900 20 0 BDADHO COc1ccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)cn1 ZINC000530221871 388632610 /nfs/dbraw/zinc/63/26/10/388632610.db2.gz PIFLHQBXFJIOSO-AAEUAGOBSA-N 1 3 249.358 1.220 20 0 BDADHO COC[C@H](C)[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000125993139 388684990 /nfs/dbraw/zinc/68/49/90/388684990.db2.gz AJCQAEFGJDTUQY-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000125993139 388684992 /nfs/dbraw/zinc/68/49/92/388684992.db2.gz AJCQAEFGJDTUQY-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO COC[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000125993139 388684994 /nfs/dbraw/zinc/68/49/94/388684994.db2.gz AJCQAEFGJDTUQY-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000251462820 388644634 /nfs/dbraw/zinc/64/46/34/388644634.db2.gz UYEUDUSAUCFYEM-SRVKXCTJSA-N 1 3 212.337 1.273 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000246831566 388652999 /nfs/dbraw/zinc/65/29/99/388652999.db2.gz BREAZFHGKSCXPY-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@H]2CCCN2C)[C@H](C)C1 ZINC000246978677 388655144 /nfs/dbraw/zinc/65/51/44/388655144.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000246978677 388655147 /nfs/dbraw/zinc/65/51/47/388655147.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO CC[N@H+]1CC[C@H](NC[C@H]2CCCN2C)[C@H](C)C1 ZINC000246978677 388655148 /nfs/dbraw/zinc/65/51/48/388655148.db2.gz JOZOLLDQHBAEDZ-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)CCOC)C1 ZINC000247097045 388658957 /nfs/dbraw/zinc/65/89/57/388658957.db2.gz PUFMRCOLNBXLQX-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CC(C)[C@@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128066568 388738013 /nfs/dbraw/zinc/73/80/13/388738013.db2.gz LRJTWZTUJXHHKO-YNEHKIRRSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128066568 388738015 /nfs/dbraw/zinc/73/80/15/388738015.db2.gz LRJTWZTUJXHHKO-YNEHKIRRSA-N 1 3 226.364 1.220 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000250670749 388739193 /nfs/dbraw/zinc/73/91/93/388739193.db2.gz UOKXTECDFQDTFZ-HBNTYKKESA-N 1 3 214.378 1.599 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCc2cccc(CO)c2)C1 ZINC000227454460 388751091 /nfs/dbraw/zinc/75/10/91/388751091.db2.gz IDCHZVLGQNBJRM-KGLIPLIRSA-N 1 3 234.343 1.538 20 0 BDADHO CO[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1C ZINC000251795816 388754699 /nfs/dbraw/zinc/75/46/99/388754699.db2.gz MBPUVDPJNCNBIO-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[C@H]1C ZINC000251795816 388754700 /nfs/dbraw/zinc/75/47/00/388754700.db2.gz MBPUVDPJNCNBIO-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CC[NH+](CC)CCCN1CCC[C@@H]1C[C@H](C)O ZINC000249121421 388709836 /nfs/dbraw/zinc/70/98/36/388709836.db2.gz WXRMCCXGSCPLEA-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000249121421 388709838 /nfs/dbraw/zinc/70/98/38/388709838.db2.gz WXRMCCXGSCPLEA-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000249121421 388709841 /nfs/dbraw/zinc/70/98/41/388709841.db2.gz WXRMCCXGSCPLEA-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCc1nccs1 ZINC000127902604 388733299 /nfs/dbraw/zinc/73/32/99/388733299.db2.gz SFHXAKUBPBUYRE-MNOVXSKESA-N 1 3 239.388 1.615 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCc1nccs1 ZINC000127902604 388733301 /nfs/dbraw/zinc/73/33/01/388733301.db2.gz SFHXAKUBPBUYRE-MNOVXSKESA-N 1 3 239.388 1.615 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253034671 388798911 /nfs/dbraw/zinc/79/89/11/388798911.db2.gz VTIFRUBFSBJSOY-UMSGYPCISA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000252709490 388774060 /nfs/dbraw/zinc/77/40/60/388774060.db2.gz CZRYIQJPTUKPFP-MCIONIFRSA-N 1 3 239.407 1.258 20 0 BDADHO Cc1cnccc1CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000564897646 388896971 /nfs/dbraw/zinc/89/69/71/388896971.db2.gz UTOZPMPFHCVVMA-AWEZNQCLSA-N 1 3 247.386 1.816 20 0 BDADHO Cc1cnccc1CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000564897646 388896973 /nfs/dbraw/zinc/89/69/73/388896973.db2.gz UTOZPMPFHCVVMA-AWEZNQCLSA-N 1 3 247.386 1.816 20 0 BDADHO C[C@@H](NCCCc1cccs1)C1C[NH2+]C1 ZINC000566090837 388987471 /nfs/dbraw/zinc/98/74/71/388987471.db2.gz NUVUNVOSSNHDCH-SNVBAGLBSA-N 1 3 224.373 1.878 20 0 BDADHO C[C@@H]([NH2+]CCCc1cccs1)C1CNC1 ZINC000566090837 388987474 /nfs/dbraw/zinc/98/74/74/388987474.db2.gz NUVUNVOSSNHDCH-SNVBAGLBSA-N 1 3 224.373 1.878 20 0 BDADHO Cc1ccoc1CNCC1(O)CC[NH+](C)CC1 ZINC000266133780 388993752 /nfs/dbraw/zinc/99/37/52/388993752.db2.gz DQYAVCXEAOPXKW-UHFFFAOYSA-N 1 3 238.331 1.134 20 0 BDADHO C[C@@H](NCC1(N(C)C)CCC1)[C@H]1CCC[NH2+]1 ZINC000400502479 533360677 /nfs/dbraw/zinc/36/06/77/533360677.db2.gz CLFOGIFZAPOPJR-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO C([C@H]1CCSC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257641401 533376966 /nfs/dbraw/zinc/37/69/66/533376966.db2.gz AZZBCXLCSLVXBO-VXGBXAGGSA-N 1 3 226.389 1.425 20 0 BDADHO C[C@@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)[C@@H]1CCCCO1 ZINC000400377113 533500155 /nfs/dbraw/zinc/50/01/55/533500155.db2.gz IYKRVJPYXIVNFM-LOWDOPEQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000035601414 132338556 /nfs/dbraw/zinc/33/85/56/132338556.db2.gz OFIHETBXZRLPIF-LLVKDONJSA-N 1 3 235.331 1.021 20 0 BDADHO Cc1ccnc(N2CCN(CCCC[NH3+])CC2)c1 ZINC000043561289 132353454 /nfs/dbraw/zinc/35/34/54/132353454.db2.gz QEJSGYWFGJCRKU-UHFFFAOYSA-N 1 3 248.374 1.251 20 0 BDADHO C[C@@H](O)CN(C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC000352004784 134034765 /nfs/dbraw/zinc/03/47/65/134034765.db2.gz QCEFAOMAZTZUBG-NWDGAFQWSA-N 1 3 246.370 1.512 20 0 BDADHO Cc1n[nH]cc1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336021860 134056222 /nfs/dbraw/zinc/05/62/22/134056222.db2.gz OWBFKQPRYOUQAX-ZDUSSCGKSA-N 1 3 248.374 1.540 20 0 BDADHO C[C@@H](NCCOCC[NH+](C)C)c1ccncc1 ZINC000219304729 134281180 /nfs/dbraw/zinc/28/11/80/134281180.db2.gz ISNJPAODTDEDNJ-GFCCVEGCSA-N 1 3 237.347 1.310 20 0 BDADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCOCCN(C)C ZINC000219322065 134281552 /nfs/dbraw/zinc/28/15/52/134281552.db2.gz YHWIVBMEJJKZJO-CHWSQXEVSA-N 1 3 242.407 1.979 20 0 BDADHO COC1CC([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000220848282 134316303 /nfs/dbraw/zinc/31/63/03/134316303.db2.gz FARXIMWWTHIMRS-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO COC1CC(NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000220848282 134316304 /nfs/dbraw/zinc/31/63/04/134316304.db2.gz FARXIMWWTHIMRS-HIFPTAJRSA-N 1 3 226.364 1.485 20 0 BDADHO CCN(CC[NH2+]C1CCN(CC)CC1)C1CC1 ZINC000223065141 134336435 /nfs/dbraw/zinc/33/64/35/134336435.db2.gz ZAPPPBMFOSQITD-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO C(C[NH2+]C[C@H]1CCSC1)CN1CCCC1 ZINC000163626586 135022263 /nfs/dbraw/zinc/02/22/63/135022263.db2.gz ZZZKHAKCVPKORY-GFCCVEGCSA-N 1 3 228.405 1.815 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251001559 135061372 /nfs/dbraw/zinc/06/13/72/135061372.db2.gz PRJKEOUJVZLPTB-TUAOUCFPSA-N 1 3 212.337 1.238 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251001559 135061374 /nfs/dbraw/zinc/06/13/74/135061374.db2.gz PRJKEOUJVZLPTB-TUAOUCFPSA-N 1 3 212.337 1.238 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251098961 135064007 /nfs/dbraw/zinc/06/40/07/135064007.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251098961 135064009 /nfs/dbraw/zinc/06/40/09/135064009.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251098961 135064012 /nfs/dbraw/zinc/06/40/12/135064012.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CCC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251098961 135064014 /nfs/dbraw/zinc/06/40/14/135064014.db2.gz DBIZBRJBORRAFW-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)C(C)C ZINC000251370056 135069204 /nfs/dbraw/zinc/06/92/04/135069204.db2.gz XBXZVYRGFHLZEB-AVGNSLFASA-N 1 3 228.380 1.765 20 0 BDADHO CCOCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500993 135087285 /nfs/dbraw/zinc/08/72/85/135087285.db2.gz KKRXMIXOWUASTG-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCCO1 ZINC000086495941 135087349 /nfs/dbraw/zinc/08/73/49/135087349.db2.gz VUCBFOFLXBMSIT-AGIUHOORSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703275 135097923 /nfs/dbraw/zinc/09/79/23/135097923.db2.gz PNDZPQWNBJDJML-VOAKCMCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703275 135097925 /nfs/dbraw/zinc/09/79/25/135097925.db2.gz PNDZPQWNBJDJML-VOAKCMCISA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252703275 135097926 /nfs/dbraw/zinc/09/79/26/135097926.db2.gz PNDZPQWNBJDJML-VOAKCMCISA-N 1 3 226.364 1.220 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C)[C@@H](C)C1 ZINC000252713131 135100253 /nfs/dbraw/zinc/10/02/53/135100253.db2.gz OKJUPXFJWPLMJC-AVGNSLFASA-N 1 3 227.396 1.256 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000252787438 135109999 /nfs/dbraw/zinc/10/99/99/135109999.db2.gz WLLQAXFACSVMHP-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000252787438 135110002 /nfs/dbraw/zinc/11/00/02/135110002.db2.gz WLLQAXFACSVMHP-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000252913670 135116265 /nfs/dbraw/zinc/11/62/65/135116265.db2.gz OOLGGHSYIAHXEP-DCAQKATOSA-N 1 3 216.394 1.845 20 0 BDADHO C([C@@H]1CCSC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257739688 135140438 /nfs/dbraw/zinc/14/04/38/135140438.db2.gz YQQCCEWKYYBERD-STQMWFEESA-N 1 3 240.416 1.815 20 0 BDADHO C(C1CCCC1)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257708564 135140461 /nfs/dbraw/zinc/14/04/61/135140461.db2.gz NEWFSCUXENHWJX-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO C(C1CCCC1)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257708564 135140463 /nfs/dbraw/zinc/14/04/63/135140463.db2.gz NEWFSCUXENHWJX-AWEZNQCLSA-N 1 3 237.391 1.156 20 0 BDADHO C(C1CCCC1)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000257708566 135140571 /nfs/dbraw/zinc/14/05/71/135140571.db2.gz NEWFSCUXENHWJX-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO C(C1CCCC1)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000257708566 135140572 /nfs/dbraw/zinc/14/05/72/135140572.db2.gz NEWFSCUXENHWJX-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO c1ncc(CN2CCC3(C2)CC[NH2+]CC3)s1 ZINC000257714994 135141136 /nfs/dbraw/zinc/14/11/36/135141136.db2.gz UPNXUXAXFFCFDC-UHFFFAOYSA-N 1 3 237.372 1.719 20 0 BDADHO CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000261527404 135151877 /nfs/dbraw/zinc/15/18/77/135151877.db2.gz AUCNTZVSKBYIFJ-GHMZBOCLSA-N 1 3 216.394 1.845 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000261529995 135157051 /nfs/dbraw/zinc/15/70/51/135157051.db2.gz WSAWIJNFIBIFSG-VWYCJHECSA-N 1 3 214.378 1.457 20 0 BDADHO CC(C)OCCN[C@](C)(C[NH3+])C1CC1 ZINC000261531308 135160211 /nfs/dbraw/zinc/16/02/11/135160211.db2.gz GBMNFWCEXXCDBC-LLVKDONJSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000087646251 135161336 /nfs/dbraw/zinc/16/13/36/135161336.db2.gz TZMGSMIXXJDWHF-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCNC1)[C@@H]1CCCO1 ZINC000087646251 135161337 /nfs/dbraw/zinc/16/13/37/135161337.db2.gz TZMGSMIXXJDWHF-TUAOUCFPSA-N 1 3 212.337 1.143 20 0 BDADHO CN(CCc1ccccc1)C1CC([NH3+])C1 ZINC000087653603 135161411 /nfs/dbraw/zinc/16/14/11/135161411.db2.gz VBJQMCHMIZTXCB-UHFFFAOYSA-N 1 3 204.317 1.651 20 0 BDADHO CO[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000261532369 135162426 /nfs/dbraw/zinc/16/24/26/135162426.db2.gz ADXMYWKNAROEFQ-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@@H]2CCCNC2)[C@H](C)C1 ZINC000261532369 135162428 /nfs/dbraw/zinc/16/24/28/135162428.db2.gz ADXMYWKNAROEFQ-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2)[C@H](C)C1 ZINC000261532369 135162429 /nfs/dbraw/zinc/16/24/29/135162429.db2.gz ADXMYWKNAROEFQ-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000261533030 135164432 /nfs/dbraw/zinc/16/44/32/135164432.db2.gz GBFSVJMTFUFPRU-RWMBFGLXSA-N 1 3 226.364 1.520 20 0 BDADHO Cc1noc(C)c1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261538306 135175285 /nfs/dbraw/zinc/17/52/85/135175285.db2.gz ZELCKBZFYYUCOG-NEPJUHHUSA-N 1 3 237.347 1.899 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCOCC2CC2)C1 ZINC000261551043 135189970 /nfs/dbraw/zinc/18/99/70/135189970.db2.gz PZWIUMPATRHCCO-PWSUYJOCSA-N 1 3 212.337 1.082 20 0 BDADHO CSCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000084216908 135192750 /nfs/dbraw/zinc/19/27/50/135192750.db2.gz HASYXFIFLGRINO-QWRGUYRKSA-N 1 3 216.394 1.847 20 0 BDADHO C[C@@H]1CSCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261553207 135192949 /nfs/dbraw/zinc/19/29/49/135192949.db2.gz SIUKBTOPRKZUDD-NWDGAFQWSA-N 1 3 228.405 1.671 20 0 BDADHO C[C@H]1CC(C)(C)C[C@@](CO)(NCC[NH3+])C1 ZINC000261554512 135194370 /nfs/dbraw/zinc/19/43/70/135194370.db2.gz UIFOQNCPMACZLK-JQWIXIFHSA-N 1 3 214.353 1.112 20 0 BDADHO Cc1cnn(CCN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000261556200 135196055 /nfs/dbraw/zinc/19/60/55/135196055.db2.gz QNZYYPSDVMVFGV-CHWSQXEVSA-N 1 3 236.363 1.108 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CCc1cccnc1 ZINC000261564151 135205796 /nfs/dbraw/zinc/20/57/96/135205796.db2.gz XNEWWOAIUIWYGG-CYBMUJFWSA-N 1 3 233.359 1.602 20 0 BDADHO CC1(C)C[NH2+]CC[C@H]1NCCc1cccnc1 ZINC000261564151 135205798 /nfs/dbraw/zinc/20/57/98/135205798.db2.gz XNEWWOAIUIWYGG-CYBMUJFWSA-N 1 3 233.359 1.602 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NCCOCC1CC1 ZINC000261566416 135208945 /nfs/dbraw/zinc/20/89/45/135208945.db2.gz DNAJPPWARCJPKU-LBPRGKRZSA-N 1 3 226.364 1.391 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000261566416 135208947 /nfs/dbraw/zinc/20/89/47/135208947.db2.gz DNAJPPWARCJPKU-LBPRGKRZSA-N 1 3 226.364 1.391 20 0 BDADHO Cc1ncccc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261567839 135209599 /nfs/dbraw/zinc/20/95/99/135209599.db2.gz ITFFOCLJFVNHRC-RRFJBIMHSA-N 1 3 245.370 1.949 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000261583823 135224745 /nfs/dbraw/zinc/22/47/45/135224745.db2.gz PGLWWNBZONPZTA-DRZSPHRISA-N 1 3 226.364 1.255 20 0 BDADHO Nc1cccc(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000261586522 135227676 /nfs/dbraw/zinc/22/76/76/135227676.db2.gz RDJOZSDHYRJWRQ-NSHDSACASA-N 1 3 205.305 1.049 20 0 BDADHO CC1(C)CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1O ZINC000261589399 135230119 /nfs/dbraw/zinc/23/01/19/135230119.db2.gz TXSJBVKHDCIDHU-NWDGAFQWSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@H+](C[C@H]2CCCNC2)CC[C@H]1O ZINC000261589399 135230120 /nfs/dbraw/zinc/23/01/20/135230120.db2.gz TXSJBVKHDCIDHU-NWDGAFQWSA-N 1 3 226.364 1.079 20 0 BDADHO CC1(C)C[N@@H+](C[C@H]2CCCNC2)CC[C@H]1O ZINC000261589399 135230121 /nfs/dbraw/zinc/23/01/21/135230121.db2.gz TXSJBVKHDCIDHU-NWDGAFQWSA-N 1 3 226.364 1.079 20 0 BDADHO CN1CCC[C@@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261591578 135231777 /nfs/dbraw/zinc/23/17/77/135231777.db2.gz XSHMJWSYGFSMPP-BYCMXARLSA-N 1 3 245.370 1.815 20 0 BDADHO C[C@H]1N(CC(C)(C)[NH3+])CCC12CCOCC2 ZINC000261652205 135242758 /nfs/dbraw/zinc/24/27/58/135242758.db2.gz BCEADHIQDUXBDC-LLVKDONJSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000261716668 135247852 /nfs/dbraw/zinc/24/78/52/135247852.db2.gz FFDPNGIOEKEVCC-KBPBESRZSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(N)c1 ZINC000261750053 135249881 /nfs/dbraw/zinc/24/98/81/135249881.db2.gz WICLNBOLCDEIEH-PWSUYJOCSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1Cc1cccc(N)c1 ZINC000261750053 135249882 /nfs/dbraw/zinc/24/98/82/135249882.db2.gz WICLNBOLCDEIEH-PWSUYJOCSA-N 1 3 219.332 1.438 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1Cc1cccc(N)c1 ZINC000261750053 135249883 /nfs/dbraw/zinc/24/98/83/135249883.db2.gz WICLNBOLCDEIEH-PWSUYJOCSA-N 1 3 219.332 1.438 20 0 BDADHO C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261970197 135268355 /nfs/dbraw/zinc/26/83/55/135268355.db2.gz QGHKHBFPSHSYNK-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261970197 135268356 /nfs/dbraw/zinc/26/83/56/135268356.db2.gz QGHKHBFPSHSYNK-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]([NH2+]C1CCNCC1)[C@@H]1CCCCO1 ZINC000261986186 135269376 /nfs/dbraw/zinc/26/93/76/135269376.db2.gz JZELNBBXCIQSQE-PWSUYJOCSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H](NC1CC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000261986186 135269377 /nfs/dbraw/zinc/26/93/77/135269377.db2.gz JZELNBBXCIQSQE-PWSUYJOCSA-N 1 3 212.337 1.286 20 0 BDADHO CC(C)([NH3+])CN1CC[C@@H](C2CCOCC2)C1 ZINC000262014883 135272723 /nfs/dbraw/zinc/27/27/23/135272723.db2.gz VNMNMJWKTQKJLI-GFCCVEGCSA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@@]1(CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000262023507 135274058 /nfs/dbraw/zinc/27/40/58/135274058.db2.gz WLHBXXPUDYEHFO-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@@]1(CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000262023507 135274060 /nfs/dbraw/zinc/27/40/60/135274060.db2.gz WLHBXXPUDYEHFO-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO FC(F)COCCN1CCC2(C1)CC[NH2+]CC2 ZINC000262071897 135276746 /nfs/dbraw/zinc/27/67/46/135276746.db2.gz CLEZJMVNKNGKSR-UHFFFAOYSA-N 1 3 248.317 1.344 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCN(C2CCC2)CC1 ZINC000262135705 135281284 /nfs/dbraw/zinc/28/12/84/135281284.db2.gz DLFUTFPWGGRZBL-UHFFFAOYSA-N 1 3 237.391 1.156 20 0 BDADHO CC[C@H]1CCC[N@H+](CCN2CCNCC2)CC1 ZINC000079342600 135307197 /nfs/dbraw/zinc/30/71/97/135307197.db2.gz VCDZMYNMZPVNAI-AWEZNQCLSA-N 1 3 239.407 1.404 20 0 BDADHO CC[C@H]1CCC[N@@H+](CCN2CCNCC2)CC1 ZINC000079342600 135307198 /nfs/dbraw/zinc/30/71/98/135307198.db2.gz VCDZMYNMZPVNAI-AWEZNQCLSA-N 1 3 239.407 1.404 20 0 BDADHO C(C[N@@H+]1C[C@H]2CCCN[C@@H]2C1)[C@H]1CCOC1 ZINC000348102679 136036688 /nfs/dbraw/zinc/03/66/88/136036688.db2.gz BFUXBZUKXWVOOC-YNEHKIRRSA-N 1 3 224.348 1.097 20 0 BDADHO C(C[N@H+]1C[C@H]2CCCN[C@@H]2C1)[C@H]1CCOC1 ZINC000348102679 136036689 /nfs/dbraw/zinc/03/66/89/136036689.db2.gz BFUXBZUKXWVOOC-YNEHKIRRSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000348152224 136039936 /nfs/dbraw/zinc/03/99/36/136039936.db2.gz BHJHPNKJPYHSFC-DOLQZWNJSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000348152224 136039937 /nfs/dbraw/zinc/03/99/37/136039937.db2.gz BHJHPNKJPYHSFC-DOLQZWNJSA-N 1 3 218.291 1.712 20 0 BDADHO NC[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000011891412 397901766 /nfs/dbraw/zinc/90/17/66/397901766.db2.gz HGPKPSAMLUWWOR-CQSZACIVSA-N 1 3 218.344 1.900 20 0 BDADHO NC[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000011891412 397901768 /nfs/dbraw/zinc/90/17/68/397901768.db2.gz HGPKPSAMLUWWOR-CQSZACIVSA-N 1 3 218.344 1.900 20 0 BDADHO [NH3+]C[C@H]1CCN(CCCc2ccccc2)C1 ZINC000011891412 397901770 /nfs/dbraw/zinc/90/17/70/397901770.db2.gz HGPKPSAMLUWWOR-CQSZACIVSA-N 1 3 218.344 1.900 20 0 BDADHO CCCCNC(=O)CCN1CCC(C)([NH3+])CC1 ZINC000647924786 397989747 /nfs/dbraw/zinc/98/97/47/397989747.db2.gz JZZPYVZENICFMO-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(F)(F)F)C[C@@H]21 ZINC000163665553 398030370 /nfs/dbraw/zinc/03/03/70/398030370.db2.gz MSRUTIOSCBMISJ-KXUCPTDWSA-N 1 3 236.281 1.998 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000414917610 398092529 /nfs/dbraw/zinc/09/25/29/398092529.db2.gz RVOLZZIGNUHBQD-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@]1(C)CCCNC1 ZINC000414917610 398092533 /nfs/dbraw/zinc/09/25/33/398092533.db2.gz RVOLZZIGNUHBQD-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414871107 398077226 /nfs/dbraw/zinc/07/72/26/398077226.db2.gz CXEVEJXCWVDWFD-TVQRCGJNSA-N 1 3 238.762 1.992 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414871107 398077227 /nfs/dbraw/zinc/07/72/27/398077227.db2.gz CXEVEJXCWVDWFD-TVQRCGJNSA-N 1 3 238.762 1.992 20 0 BDADHO CCCC[NH+]1CCC(N[C@H](C)[C@H](C)O)CC1 ZINC000564857891 398077351 /nfs/dbraw/zinc/07/73/51/398077351.db2.gz ZTNNJUFWJTYKMX-NEPJUHHUSA-N 1 3 228.380 1.610 20 0 BDADHO C(C[N@@H+]1CCCNCC1)[C@@H]1CCCCO1 ZINC000224164458 398102690 /nfs/dbraw/zinc/10/26/90/398102690.db2.gz GRXDFTCXTXLLMJ-LBPRGKRZSA-N 1 3 212.337 1.241 20 0 BDADHO C(C[N@H+]1CCCNCC1)[C@@H]1CCCCO1 ZINC000224164458 398102696 /nfs/dbraw/zinc/10/26/96/398102696.db2.gz GRXDFTCXTXLLMJ-LBPRGKRZSA-N 1 3 212.337 1.241 20 0 BDADHO COc1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000258840984 322878292 /nfs/dbraw/zinc/87/82/92/322878292.db2.gz WFIZRMBGARVVAI-SNVBAGLBSA-N 1 3 208.305 1.380 20 0 BDADHO Cc1cccc2c1CNCCN2CCC[NH3+] ZINC000334881829 487579766 /nfs/dbraw/zinc/57/97/66/487579766.db2.gz MTGFGZLXGOSOKF-UHFFFAOYSA-N 1 3 219.332 1.253 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@@H](CN)C1)C1CCCCC1 ZINC000662245199 409537526 /nfs/dbraw/zinc/53/75/26/409537526.db2.gz IUFBYQCEIWSFQB-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@@H](CN)C1)C1CCCCC1 ZINC000662245199 409537533 /nfs/dbraw/zinc/53/75/33/409537533.db2.gz IUFBYQCEIWSFQB-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@H](CN1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000662245199 409537542 /nfs/dbraw/zinc/53/75/42/409537542.db2.gz IUFBYQCEIWSFQB-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCCCC1 ZINC000662248773 409548908 /nfs/dbraw/zinc/54/89/08/409548908.db2.gz DAMKBXKYTCKKRI-ZDUSSCGKSA-N 1 3 238.375 1.772 20 0 BDADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCCCC1 ZINC000662248773 409548916 /nfs/dbraw/zinc/54/89/16/409548916.db2.gz DAMKBXKYTCKKRI-ZDUSSCGKSA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@H](NC)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000662422110 409704267 /nfs/dbraw/zinc/70/42/67/409704267.db2.gz NCJUIUGYCWSAER-SKDRFNHKSA-N 1 3 235.331 1.643 20 0 BDADHO CCOC[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650718004 410355897 /nfs/dbraw/zinc/35/58/97/410355897.db2.gz UMNSNPLTBRFHRF-SNVBAGLBSA-N 1 3 240.322 1.799 20 0 BDADHO COC[C@@H](C)CNCc1ccc(C[NH3+])cc1F ZINC000650716816 410349464 /nfs/dbraw/zinc/34/94/64/410349464.db2.gz KIGPFIQUVLOKKF-JTQLQIEISA-N 1 3 240.322 1.657 20 0 BDADHO C[C@@H]1CNC[C@@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715313 410350509 /nfs/dbraw/zinc/35/05/09/410350509.db2.gz XXORCFSNTIXIBP-UBHSHLNASA-N 1 3 245.370 1.611 20 0 BDADHO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]CC(C)(C)N ZINC000650725184 410363062 /nfs/dbraw/zinc/36/30/62/410363062.db2.gz VCWDZJZSURRNHS-LLVKDONJSA-N 1 3 249.358 1.090 20 0 BDADHO FC1(F)C[C@@]12CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000650725327 410363266 /nfs/dbraw/zinc/36/32/66/410363266.db2.gz YJTIKALRTMHOKO-WDEREUQCSA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@@]12CC[N@H+](C[C@H]1CCCNC1)C2 ZINC000650725327 410363271 /nfs/dbraw/zinc/36/32/71/410363271.db2.gz YJTIKALRTMHOKO-WDEREUQCSA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@@]12CC[N@@H+](C[C@H]1CCCNC1)C2 ZINC000650725327 410363278 /nfs/dbraw/zinc/36/32/78/410363278.db2.gz YJTIKALRTMHOKO-WDEREUQCSA-N 1 3 230.302 1.717 20 0 BDADHO CC[C@H](NCCC1(C[NH3+])CC1)c1nccn1C ZINC000650745344 410382601 /nfs/dbraw/zinc/38/26/01/410382601.db2.gz DSVGCYNSNOPPKW-NSHDSACASA-N 1 3 236.363 1.590 20 0 BDADHO [NH3+]CC1(CCN[C@H]2CCn3ccnc32)CC1 ZINC000650746516 410386039 /nfs/dbraw/zinc/38/60/39/410386039.db2.gz DUPVJNQWZIZGED-JTQLQIEISA-N 1 3 220.320 1.047 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@](C)(CC)C1 ZINC000309276216 410700872 /nfs/dbraw/zinc/70/08/72/410700872.db2.gz SCNOLNNIWDFORI-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@](C)(CC)C1 ZINC000309276216 410700875 /nfs/dbraw/zinc/70/08/75/410700875.db2.gz SCNOLNNIWDFORI-QWHCGFSZSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@H](NC[C@H]1CCC[C@@H](C)O1)C1C[NH2+]C1 ZINC000665265036 410737350 /nfs/dbraw/zinc/73/73/50/410737350.db2.gz OCRIBDGTMVFGCU-JFGNBEQYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)C1CNC1 ZINC000665265036 410737354 /nfs/dbraw/zinc/73/73/54/410737354.db2.gz OCRIBDGTMVFGCU-JFGNBEQYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@@H](NCCCc1ccco1)C1C[NH2+]C1 ZINC000665282709 410761292 /nfs/dbraw/zinc/76/12/92/410761292.db2.gz AFHWKBLLGJXQOT-SNVBAGLBSA-N 1 3 208.305 1.410 20 0 BDADHO C[C@@H]([NH2+]CCCc1ccco1)C1CNC1 ZINC000665282709 410761296 /nfs/dbraw/zinc/76/12/96/410761296.db2.gz AFHWKBLLGJXQOT-SNVBAGLBSA-N 1 3 208.305 1.410 20 0 BDADHO CO[C@@H](CN[C@@H](C)C1C[NH2+]C1)C1CCCCC1 ZINC000665283015 410764157 /nfs/dbraw/zinc/76/41/57/410764157.db2.gz GFDWIDWXCTZMMD-FZMZJTMJSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](C[NH2+][C@@H](C)C1CNC1)C1CCCCC1 ZINC000665283015 410764164 /nfs/dbraw/zinc/76/41/64/410764164.db2.gz GFDWIDWXCTZMMD-FZMZJTMJSA-N 1 3 240.391 1.779 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@H]1CCOC ZINC000665297722 410817286 /nfs/dbraw/zinc/81/72/86/410817286.db2.gz KHYIQMVBUMPQGU-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000651864883 411147936 /nfs/dbraw/zinc/14/79/36/411147936.db2.gz HXGVCHPODZXCEK-KGLIPLIRSA-N 1 3 242.407 1.979 20 0 BDADHO Cc1ncc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000400995676 411168474 /nfs/dbraw/zinc/16/84/74/411168474.db2.gz IQHHZJHJIRFEEI-SDDRHHMPSA-N 1 3 235.331 1.461 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657937654 411173188 /nfs/dbraw/zinc/17/31/88/411173188.db2.gz KBMKAFTUCXYMJP-ZDUSSCGKSA-N 1 3 236.359 1.550 20 0 BDADHO Cc1noc(C)c1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401045940 411174580 /nfs/dbraw/zinc/17/45/80/411174580.db2.gz VUEMTXUTDOZVOU-YNEHKIRRSA-N 1 3 249.358 1.769 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C1CC1 ZINC000659879978 411177916 /nfs/dbraw/zinc/17/79/16/411177916.db2.gz YYGSTXKBUTXNJP-UONOGXRCSA-N 1 3 240.391 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1C1CC1 ZINC000659879978 411177917 /nfs/dbraw/zinc/17/79/17/411177917.db2.gz YYGSTXKBUTXNJP-UONOGXRCSA-N 1 3 240.391 1.562 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]CCOCCN(C)C)CS1 ZINC000655757575 411188877 /nfs/dbraw/zinc/18/88/77/411188877.db2.gz JDYQIVASUCLTBL-VXGBXAGGSA-N 1 3 246.420 1.438 20 0 BDADHO COC1([C@@H](C)[NH2+]CCOCCN(C)C)CCC1 ZINC000657986919 411190083 /nfs/dbraw/zinc/19/00/83/411190083.db2.gz JQYSHEDAGPFFNB-GFCCVEGCSA-N 1 3 244.379 1.112 20 0 BDADHO C[NH+](C)CCCCNCc1cncs1 ZINC000054788424 411193659 /nfs/dbraw/zinc/19/36/59/411193659.db2.gz HFECSXGAECXGTG-UHFFFAOYSA-N 1 3 213.350 1.575 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000656198072 411203128 /nfs/dbraw/zinc/20/31/28/411203128.db2.gz HHMMVJJYTWILRE-CABCVRRESA-N 1 3 248.370 1.581 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccc(CO)cc2)C1 ZINC000656198072 411203129 /nfs/dbraw/zinc/20/31/29/411203129.db2.gz HHMMVJJYTWILRE-CABCVRRESA-N 1 3 248.370 1.581 20 0 BDADHO COCC1(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000656200300 411204657 /nfs/dbraw/zinc/20/46/57/411204657.db2.gz LCZWVSOWULDRMM-RYUDHWBXSA-N 1 3 226.364 1.520 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCC1CC1 ZINC000656200943 411206604 /nfs/dbraw/zinc/20/66/04/411206604.db2.gz ZOIYPIPPXWEQDX-DRZSPHRISA-N 1 3 226.364 1.519 20 0 BDADHO CNC[C@@](C)(O)C[N@H+](C)CCC(C)(C)C ZINC000652341670 411206992 /nfs/dbraw/zinc/20/69/92/411206992.db2.gz FYOBFTKKOKWMBX-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+](C)CCC(C)(C)C ZINC000652341670 411206993 /nfs/dbraw/zinc/20/69/93/411206993.db2.gz FYOBFTKKOKWMBX-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN(C)CCC(C)(C)C ZINC000652341670 411206996 /nfs/dbraw/zinc/20/69/96/411206996.db2.gz FYOBFTKKOKWMBX-GFCCVEGCSA-N 1 3 216.369 1.325 20 0 BDADHO O[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652353375 411212015 /nfs/dbraw/zinc/21/20/15/411212015.db2.gz CCIBNAOLZMNWIO-OAHLLOKOSA-N 1 3 246.354 1.289 20 0 BDADHO CN(CCC[NH3+])CCCOCC(F)(F)F ZINC000049312069 411231528 /nfs/dbraw/zinc/23/15/28/411231528.db2.gz YKQOUBQBWBMUKD-UHFFFAOYSA-N 1 3 228.258 1.236 20 0 BDADHO CC1(C)CN(CCCC2CC[NH2+]CC2)CCO1 ZINC000050952744 411269738 /nfs/dbraw/zinc/26/97/38/411269738.db2.gz OKYYWQDUGFJTGZ-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](N)C(C)C ZINC000652558993 411271099 /nfs/dbraw/zinc/27/10/99/411271099.db2.gz IPXTXLOUUJXGHL-LBPRGKRZSA-N 1 3 243.395 1.064 20 0 BDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](N)C(C)C ZINC000652558993 411271101 /nfs/dbraw/zinc/27/11/01/411271101.db2.gz IPXTXLOUUJXGHL-LBPRGKRZSA-N 1 3 243.395 1.064 20 0 BDADHO CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402606138 411272822 /nfs/dbraw/zinc/27/28/22/411272822.db2.gz ULYMXMXAHZFFPI-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764168 411308251 /nfs/dbraw/zinc/30/82/51/411308251.db2.gz AOMLAJRYSOJBCN-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764168 411308254 /nfs/dbraw/zinc/30/82/54/411308254.db2.gz AOMLAJRYSOJBCN-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000062071273 411325998 /nfs/dbraw/zinc/32/59/98/411325998.db2.gz ZYHLZEHWFLKYGJ-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000062071273 411326001 /nfs/dbraw/zinc/32/60/01/411326001.db2.gz ZYHLZEHWFLKYGJ-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)[C@H](CC)CO1 ZINC000403877485 411363023 /nfs/dbraw/zinc/36/30/23/411363023.db2.gz SXXCHGRHIGQUGH-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO Nc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000656786016 411364952 /nfs/dbraw/zinc/36/49/52/411364952.db2.gz SWSZYEHRYWABKJ-STQMWFEESA-N 1 3 219.332 1.628 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000304562270 411372121 /nfs/dbraw/zinc/37/21/21/411372121.db2.gz GXMKXSXESSLCGA-PYNQCMFNSA-N 1 3 226.364 1.255 20 0 BDADHO C[C@@H]1CNC[C@H]([NH2+][C@H]2CCc3cc(N)ccc32)C1 ZINC000656791898 411372451 /nfs/dbraw/zinc/37/24/51/411372451.db2.gz MSGWFCKXDOLPEA-ZBINZKHDSA-N 1 3 245.370 1.844 20 0 BDADHO CC1CCN(CCC[NH2+]C2CCOCC2)CC1 ZINC000036304412 168179022 /nfs/dbraw/zinc/17/90/22/168179022.db2.gz APJVVRLZVZVNKZ-UHFFFAOYSA-N 1 3 240.391 1.877 20 0 BDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)CN(C)C ZINC000346285344 168300514 /nfs/dbraw/zinc/30/05/14/168300514.db2.gz YNSWBCDCQLWJRW-QWRGUYRKSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@@H]1C[N@H+](CCCN)CCc2ccccc21 ZINC000404831737 411408886 /nfs/dbraw/zinc/40/88/86/411408886.db2.gz YISMUUCLSIOICD-GFCCVEGCSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@@H]1C[N@@H+](CCCN)CCc2ccccc21 ZINC000404831737 411408890 /nfs/dbraw/zinc/40/88/90/411408890.db2.gz YISMUUCLSIOICD-GFCCVEGCSA-N 1 3 218.344 1.997 20 0 BDADHO C[N@@H+]1CCC[C@@H](CCNCc2cn[nH]c2)C1 ZINC000657182815 411416583 /nfs/dbraw/zinc/41/65/83/411416583.db2.gz ATPHHTVWJXXHRX-NSHDSACASA-N 1 3 222.336 1.231 20 0 BDADHO C[N@H+]1CCC[C@@H](CCNCc2cn[nH]c2)C1 ZINC000657182815 411416586 /nfs/dbraw/zinc/41/65/86/411416586.db2.gz ATPHHTVWJXXHRX-NSHDSACASA-N 1 3 222.336 1.231 20 0 BDADHO CC[C@@H]1C[C@H](NCCC[NH+](C)C)CO1 ZINC000657287741 411446543 /nfs/dbraw/zinc/44/65/43/411446543.db2.gz ULFCVOJICMKKPX-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)CO1 ZINC000657427391 411503630 /nfs/dbraw/zinc/50/36/30/411503630.db2.gz MXPKQVXYEYEVGF-CHWSQXEVSA-N 1 3 224.348 1.405 20 0 BDADHO Cc1c[nH]c(CNCC2CC[NH+](C3CC3)CC2)n1 ZINC000657450048 411511524 /nfs/dbraw/zinc/51/15/24/411511524.db2.gz KWKLKRINRXXHPZ-UHFFFAOYSA-N 1 3 248.374 1.682 20 0 BDADHO Cc1cc([C@@H](C)NC[C@H]2C[C@@H]([NH+](C)C)C2)no1 ZINC000655804008 411519071 /nfs/dbraw/zinc/51/90/71/411519071.db2.gz LUQWTQGHVMCTJZ-UTUOFQBUSA-N 1 3 237.347 1.974 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1[C@H](C)CC[C@H]1C ZINC000660000701 411526386 /nfs/dbraw/zinc/52/63/86/411526386.db2.gz ZIIAOJGCRANBCX-UPJWGTAASA-N 1 3 228.380 1.560 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)CC[C@H]1C ZINC000660000701 411526387 /nfs/dbraw/zinc/52/63/87/411526387.db2.gz ZIIAOJGCRANBCX-UPJWGTAASA-N 1 3 228.380 1.560 20 0 BDADHO COCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000655817699 411527938 /nfs/dbraw/zinc/52/79/38/411527938.db2.gz ODAFBAYGPCGBAQ-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO COCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000655817699 411527941 /nfs/dbraw/zinc/52/79/41/411527941.db2.gz ODAFBAYGPCGBAQ-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC2(SC)CC2)C1 ZINC000336707060 170007709 /nfs/dbraw/zinc/00/77/09/170007709.db2.gz RPRVFHYHXXNLFY-NSHDSACASA-N 1 3 228.405 1.813 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](C)OC)C[C@H]1C ZINC000336673351 170019058 /nfs/dbraw/zinc/01/90/58/170019058.db2.gz KQHVNGLAHBKBSI-AGIUHOORSA-N 1 3 228.380 1.826 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](C)OC)C[C@H]1C ZINC000336673351 170019060 /nfs/dbraw/zinc/01/90/60/170019060.db2.gz KQHVNGLAHBKBSI-AGIUHOORSA-N 1 3 228.380 1.826 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCC(C)(C)O)C[C@@H]1C ZINC000360453864 170019905 /nfs/dbraw/zinc/01/99/05/170019905.db2.gz GWXFADIKJIWVRU-STQMWFEESA-N 1 3 242.407 1.952 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCC(C)(C)O)C[C@@H]1C ZINC000360453864 170019906 /nfs/dbraw/zinc/01/99/06/170019906.db2.gz GWXFADIKJIWVRU-STQMWFEESA-N 1 3 242.407 1.952 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCN(C)C)C1 ZINC000309958788 170039266 /nfs/dbraw/zinc/03/92/66/170039266.db2.gz JYJUHKZTQMTMRO-YNEHKIRRSA-N 1 3 227.396 1.256 20 0 BDADHO CCOC1CC([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000124463881 170329460 /nfs/dbraw/zinc/32/94/60/170329460.db2.gz SNZNQMVEUDMVON-HSBZDZAISA-N 1 3 240.391 1.875 20 0 BDADHO CCOC1CC(NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000124463881 170329462 /nfs/dbraw/zinc/32/94/62/170329462.db2.gz SNZNQMVEUDMVON-HSBZDZAISA-N 1 3 240.391 1.875 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345874 411634091 /nfs/dbraw/zinc/63/40/91/411634091.db2.gz NDQPFBGKYNVRGH-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345874 411634097 /nfs/dbraw/zinc/63/40/97/411634097.db2.gz NDQPFBGKYNVRGH-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663345874 411634105 /nfs/dbraw/zinc/63/41/05/411634105.db2.gz NDQPFBGKYNVRGH-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660019 411614516 /nfs/dbraw/zinc/61/45/16/411614516.db2.gz SLEBMCJAUFAYRZ-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660019 411614517 /nfs/dbraw/zinc/61/45/17/411614517.db2.gz SLEBMCJAUFAYRZ-CHWSQXEVSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN([C@H]1CCCOC1)C2 ZINC000660656946 411614844 /nfs/dbraw/zinc/61/48/44/411614844.db2.gz CAJOVGQFKFTEMF-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN([C@H]1CCCOC1)C2 ZINC000660656946 411614846 /nfs/dbraw/zinc/61/48/46/411614846.db2.gz CAJOVGQFKFTEMF-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO COCC(C)(C)C[NH2+]CC[C@@H](N)C(C)C ZINC000663502208 411685934 /nfs/dbraw/zinc/68/59/34/411685934.db2.gz FKJOMCZTSBHQPO-LLVKDONJSA-N 1 3 216.369 1.622 20 0 BDADHO COCC(C)(C)CNCC[C@@H]([NH3+])C(C)C ZINC000663502208 411685937 /nfs/dbraw/zinc/68/59/37/411685937.db2.gz FKJOMCZTSBHQPO-LLVKDONJSA-N 1 3 216.369 1.622 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H](C)CC1CCOCC1 ZINC000663512096 411694669 /nfs/dbraw/zinc/69/46/69/411694669.db2.gz FHYDBRYJKDZTPR-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO c1cc2c(ccnc2N2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000663567340 411701388 /nfs/dbraw/zinc/70/13/88/411701388.db2.gz XXZGPTVQZKIVDJ-LLVKDONJSA-N 1 3 242.326 1.847 20 0 BDADHO c1cc2c(ccnc2N2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000663567340 411701393 /nfs/dbraw/zinc/70/13/93/411701393.db2.gz XXZGPTVQZKIVDJ-LLVKDONJSA-N 1 3 242.326 1.847 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H](CO)C1CCC1 ZINC000661152234 411721065 /nfs/dbraw/zinc/72/10/65/411721065.db2.gz XAMLYFKBKXCECF-CHWSQXEVSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H](CO)C1CCC1 ZINC000661152234 411721068 /nfs/dbraw/zinc/72/10/68/411721068.db2.gz XAMLYFKBKXCECF-CHWSQXEVSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H](CO)C1CCC1 ZINC000661152234 411721070 /nfs/dbraw/zinc/72/10/70/411721070.db2.gz XAMLYFKBKXCECF-CHWSQXEVSA-N 1 3 226.364 1.221 20 0 BDADHO CCC[C@@H](C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151736 412008537 /nfs/dbraw/zinc/00/85/37/412008537.db2.gz JWZXLWYWXYJAMT-TZMCWYRMSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[C@@H](C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151736 412008539 /nfs/dbraw/zinc/00/85/39/412008539.db2.gz JWZXLWYWXYJAMT-TZMCWYRMSA-N 1 3 240.391 1.706 20 0 BDADHO CC[C@@H]1CN(C[C@H](OC)C2CCC2)CC[C@@H]1[NH3+] ZINC000662270441 412059531 /nfs/dbraw/zinc/05/95/31/412059531.db2.gz KTWIITSETNQHAL-XBFCOCLRSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662259152 412052960 /nfs/dbraw/zinc/05/29/60/412052960.db2.gz RBOKMRDZMSYQNP-GRYCIOLGSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662259152 412052962 /nfs/dbraw/zinc/05/29/62/412052962.db2.gz RBOKMRDZMSYQNP-GRYCIOLGSA-N 1 3 224.348 1.238 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@](C)(CN)C1)C1CCC1 ZINC000662272264 412062513 /nfs/dbraw/zinc/06/25/13/412062513.db2.gz DAFKUWGNXWOPDZ-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@](C)(CN)C1)C1CCC1 ZINC000662272264 412062515 /nfs/dbraw/zinc/06/25/15/412062515.db2.gz DAFKUWGNXWOPDZ-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)=CCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662272893 412064896 /nfs/dbraw/zinc/06/48/96/412064896.db2.gz KFYMGSMIUMRETI-CQSZACIVSA-N 1 3 237.391 1.322 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NCCO[C@@H]1CC1(F)F ZINC000662277910 412070549 /nfs/dbraw/zinc/07/05/49/412070549.db2.gz TWUKGNZEIPJMCX-RKDXNWHRSA-N 1 3 236.306 1.374 20 0 BDADHO [NH3+]CCC1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000662285171 412077864 /nfs/dbraw/zinc/07/78/64/412077864.db2.gz YNFCHBNDSQVHCK-NSHDSACASA-N 1 3 248.317 1.471 20 0 BDADHO CC(C)=CCCNC1(CO)CC[NH2+]CC1 ZINC000662285068 412077374 /nfs/dbraw/zinc/07/73/74/412077374.db2.gz VZDBPXDXNXFITR-UHFFFAOYSA-N 1 3 212.337 1.047 20 0 BDADHO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662282241 412072310 /nfs/dbraw/zinc/07/23/10/412072310.db2.gz OAWPCGJAIZOSFB-RWMBFGLXSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662282241 412072314 /nfs/dbraw/zinc/07/23/14/412072314.db2.gz OAWPCGJAIZOSFB-RWMBFGLXSA-N 1 3 238.375 1.628 20 0 BDADHO CCC(C)(C)CCNC1(CO)CC[NH2+]CC1 ZINC000662283742 412074247 /nfs/dbraw/zinc/07/42/47/412074247.db2.gz KBVUKDOQOLXDJF-UHFFFAOYSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)[C@H]1CCO ZINC000662302862 412084220 /nfs/dbraw/zinc/08/42/20/412084220.db2.gz OOXGVBJLEGGRDF-UPJWGTAASA-N 1 3 226.364 1.079 20 0 BDADHO Cc1nocc1CN1CCC(CC[NH3+])CC1 ZINC000662284987 412078618 /nfs/dbraw/zinc/07/86/18/412078618.db2.gz SYJGNQJTPAXPBO-UHFFFAOYSA-N 1 3 223.320 1.544 20 0 BDADHO C[NH2+]CCCN1CCC[C@H](C)[C@@H]1CCO ZINC000662303109 412086773 /nfs/dbraw/zinc/08/67/73/412086773.db2.gz SPXMLBWJDPVAKO-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000662303109 412086776 /nfs/dbraw/zinc/08/67/76/412086776.db2.gz SPXMLBWJDPVAKO-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000662303109 412086780 /nfs/dbraw/zinc/08/67/80/412086780.db2.gz SPXMLBWJDPVAKO-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CCC(C2CCC2)CC1 ZINC000662299463 412087660 /nfs/dbraw/zinc/08/76/60/412087660.db2.gz QGHOKMAAUMZPOQ-CQSZACIVSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@@](C)(O)C[NH+]1CCC(C2CCC2)CC1 ZINC000662299463 412087662 /nfs/dbraw/zinc/08/76/62/412087662.db2.gz QGHOKMAAUMZPOQ-CQSZACIVSA-N 1 3 240.391 1.469 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662312533 412094557 /nfs/dbraw/zinc/09/45/57/412094557.db2.gz HQUNDULDBXLKRD-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662312533 412094559 /nfs/dbraw/zinc/09/45/59/412094559.db2.gz HQUNDULDBXLKRD-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000662312533 412094562 /nfs/dbraw/zinc/09/45/62/412094562.db2.gz HQUNDULDBXLKRD-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319927 412101257 /nfs/dbraw/zinc/10/12/57/412101257.db2.gz QSWXCPJDBLBMOX-GFCCVEGCSA-N 1 3 214.353 1.437 20 0 BDADHO C[N@H+](C[C@H]1CC1(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662331615 412104287 /nfs/dbraw/zinc/10/42/87/412104287.db2.gz OIWXLXVEWLWTNK-NEPJUHHUSA-N 1 3 238.375 1.485 20 0 BDADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662331615 412104293 /nfs/dbraw/zinc/10/42/93/412104293.db2.gz OIWXLXVEWLWTNK-NEPJUHHUSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCCO1 ZINC000665236944 412175711 /nfs/dbraw/zinc/17/57/11/412175711.db2.gz WXQAPKIGNZUZBM-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236944 412175715 /nfs/dbraw/zinc/17/57/15/412175715.db2.gz WXQAPKIGNZUZBM-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H](COCC1CC1)N[C@H](C)C1C[NH2+]C1 ZINC000665236060 412177137 /nfs/dbraw/zinc/17/71/37/412177137.db2.gz GKGRIOWAXINQQC-ZWNOBZJWSA-N 1 3 226.364 1.389 20 0 BDADHO CC[C@H](COCC1CC1)[NH2+][C@H](C)C1CNC1 ZINC000665236060 412177142 /nfs/dbraw/zinc/17/71/42/412177142.db2.gz GKGRIOWAXINQQC-ZWNOBZJWSA-N 1 3 226.364 1.389 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000665239617 412180744 /nfs/dbraw/zinc/18/07/44/412180744.db2.gz WAABFBOXAZDVAD-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccncc1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000665239617 412180749 /nfs/dbraw/zinc/18/07/49/412180749.db2.gz WAABFBOXAZDVAD-JSGCOSHPSA-N 1 3 233.359 1.650 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000665244585 412188530 /nfs/dbraw/zinc/18/85/30/412188530.db2.gz RCACSCYVTULACC-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000665244584 412188921 /nfs/dbraw/zinc/18/89/21/412188921.db2.gz RCACSCYVTULACC-GARJFASQSA-N 1 3 200.326 1.271 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCO[C@H]1CC1(F)F ZINC000665244519 412189020 /nfs/dbraw/zinc/18/90/20/412189020.db2.gz POVZNIBHIMSRPI-AEJSXWLSSA-N 1 3 234.290 1.128 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000665244519 412189023 /nfs/dbraw/zinc/18/90/23/412189023.db2.gz POVZNIBHIMSRPI-AEJSXWLSSA-N 1 3 234.290 1.128 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000665244657 412189679 /nfs/dbraw/zinc/18/96/79/412189679.db2.gz SORPDPSRNZCUCT-OUAUKWLOSA-N 1 3 248.317 1.388 20 0 BDADHO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000665246012 412191748 /nfs/dbraw/zinc/19/17/48/412191748.db2.gz WUDHIAGOWDTOOS-ZJUUUORDSA-N 1 3 237.347 1.534 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccoc2)C1 ZINC000665263034 412205381 /nfs/dbraw/zinc/20/53/81/412205381.db2.gz DYSCCHFNNDZACW-NEPJUHHUSA-N 1 3 208.305 1.682 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[C@H]2[NH3+])CC1(F)F ZINC000665265544 412208425 /nfs/dbraw/zinc/20/84/25/412208425.db2.gz XYJFVEZHJRMXKH-IWSPIJDZSA-N 1 3 204.264 1.501 20 0 BDADHO Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000665232475 412169552 /nfs/dbraw/zinc/16/95/52/412169552.db2.gz NOISSLRWLYRPEE-VXGBXAGGSA-N 1 3 205.305 1.238 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H](C)c1ccccn1 ZINC000665231904 412170616 /nfs/dbraw/zinc/17/06/16/412170616.db2.gz APUVOTJWJCCMNE-SDDRHHMPSA-N 1 3 221.348 1.901 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](C)c1ccccn1 ZINC000665231904 412170618 /nfs/dbraw/zinc/17/06/18/412170618.db2.gz APUVOTJWJCCMNE-SDDRHHMPSA-N 1 3 221.348 1.901 20 0 BDADHO Nc1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000665232472 412170922 /nfs/dbraw/zinc/17/09/22/412170922.db2.gz NOISSLRWLYRPEE-NEPJUHHUSA-N 1 3 205.305 1.238 20 0 BDADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1=CCCC1 ZINC000665274876 412216858 /nfs/dbraw/zinc/21/68/58/412216858.db2.gz ZVRJHZYWNRTXNV-UHTWSYAYSA-N 1 3 224.348 1.439 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C1CCCC1 ZINC000665275273 412218611 /nfs/dbraw/zinc/21/86/11/412218611.db2.gz GLCOPAVVXMGGQT-MELADBBJSA-N 1 3 240.391 1.909 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)CNC(C)C)c1 ZINC000662579275 412227707 /nfs/dbraw/zinc/22/77/07/412227707.db2.gz PGZXPNVAYPQCDL-UHFFFAOYSA-N 1 3 235.331 1.390 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOCCF ZINC000665298998 412248641 /nfs/dbraw/zinc/24/86/41/412248641.db2.gz DQCGHZDQONEKSB-WDEREUQCSA-N 1 3 218.316 1.080 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOCCF ZINC000665298998 412248645 /nfs/dbraw/zinc/24/86/45/412248645.db2.gz DQCGHZDQONEKSB-WDEREUQCSA-N 1 3 218.316 1.080 20 0 BDADHO C[C@H](CCNC(=O)C1(N)CCCCC1)[NH+](C)C ZINC000662857373 412326279 /nfs/dbraw/zinc/32/62/79/412326279.db2.gz ANVBNNNLORKOEZ-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000662966127 412358071 /nfs/dbraw/zinc/35/80/71/412358071.db2.gz PVMSDAOHOPOFCI-NSHDSACASA-N 1 3 249.358 1.086 20 0 BDADHO CCn1cc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)cn1 ZINC000044500612 172195146 /nfs/dbraw/zinc/19/51/46/172195146.db2.gz BOPNHTQQCWPNCK-NWDGAFQWSA-N 1 3 238.379 1.894 20 0 BDADHO C[NH+]1CCC(CN[C@@H](CO)c2ccccc2)CC1 ZINC000063000511 172986391 /nfs/dbraw/zinc/98/63/91/172986391.db2.gz HIBFBANYTUNNOV-HNNXBMFYSA-N 1 3 248.370 1.651 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN(CCO)CC1CC1 ZINC000352492603 173006896 /nfs/dbraw/zinc/00/68/96/173006896.db2.gz ZZVPDMQRQXCCNK-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN(CCO)CC1CC1 ZINC000352492603 173006898 /nfs/dbraw/zinc/00/68/98/173006898.db2.gz ZZVPDMQRQXCCNK-AWEZNQCLSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@](O)(C2CC2)C1 ZINC000370085600 173027084 /nfs/dbraw/zinc/02/70/84/173027084.db2.gz WJSCDZYDKCGXHS-KGLIPLIRSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@](O)(C2CC2)C1 ZINC000370085600 173027085 /nfs/dbraw/zinc/02/70/85/173027085.db2.gz WJSCDZYDKCGXHS-KGLIPLIRSA-N 1 3 238.375 1.318 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCCC[C@@H]1CO ZINC000119138135 173050532 /nfs/dbraw/zinc/05/05/32/173050532.db2.gz JIMIIOMNKFYVJP-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCCC[C@@H]1CO ZINC000119138135 173050535 /nfs/dbraw/zinc/05/05/35/173050535.db2.gz JIMIIOMNKFYVJP-QWHCGFSZSA-N 1 3 226.364 1.318 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCCC[C@H]1CO ZINC000336698534 173051120 /nfs/dbraw/zinc/05/11/20/173051120.db2.gz JIMIIOMNKFYVJP-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCCC[C@H]1CO ZINC000336698534 173051123 /nfs/dbraw/zinc/05/11/23/173051123.db2.gz JIMIIOMNKFYVJP-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CCCOCC1 ZINC000336553356 173051783 /nfs/dbraw/zinc/05/17/83/173051783.db2.gz XKQNQIDKSKGZCK-LBPRGKRZSA-N 1 3 212.337 1.193 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CCCOCC1 ZINC000336553356 173051784 /nfs/dbraw/zinc/05/17/84/173051784.db2.gz XKQNQIDKSKGZCK-LBPRGKRZSA-N 1 3 212.337 1.193 20 0 BDADHO Cn1cc(C[NH2+][C@H]2CCN(C)[C@@H]3CCC[C@H]32)cn1 ZINC000353401923 173155008 /nfs/dbraw/zinc/15/50/08/173155008.db2.gz IYQCVPNVWZMWSP-MELADBBJSA-N 1 3 248.374 1.383 20 0 BDADHO C[NH2+]CCCN(C[C@@H](C)OC)C(C)C ZINC000336741687 173347135 /nfs/dbraw/zinc/34/71/35/173347135.db2.gz WABYANFHMUJVSA-LLVKDONJSA-N 1 3 202.342 1.341 20 0 BDADHO CNCCC[N@H+](C[C@@H](C)OC)C(C)C ZINC000336741687 173347137 /nfs/dbraw/zinc/34/71/37/173347137.db2.gz WABYANFHMUJVSA-LLVKDONJSA-N 1 3 202.342 1.341 20 0 BDADHO CNCCC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000336741687 173347140 /nfs/dbraw/zinc/34/71/40/173347140.db2.gz WABYANFHMUJVSA-LLVKDONJSA-N 1 3 202.342 1.341 20 0 BDADHO CNC[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000052174674 173368306 /nfs/dbraw/zinc/36/83/06/173368306.db2.gz XVDKDJBJRTZAHH-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000052174674 173368307 /nfs/dbraw/zinc/36/83/07/173368307.db2.gz XVDKDJBJRTZAHH-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC2CCOCC2)C1 ZINC000052174674 173368308 /nfs/dbraw/zinc/36/83/08/173368308.db2.gz XVDKDJBJRTZAHH-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCCOC(C)C)C1 ZINC000011892066 173380886 /nfs/dbraw/zinc/38/08/86/173380886.db2.gz NAOQYRJSZIUHPC-GFCCVEGCSA-N 1 3 214.353 1.343 20 0 BDADHO COCC(C)(C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352541121 174069836 /nfs/dbraw/zinc/06/98/36/174069836.db2.gz UGVMOQMAEICCIK-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO COCC(C)(C)CN(C)CC(C)(C)C[NH3+] ZINC000309476963 174070080 /nfs/dbraw/zinc/07/00/80/174070080.db2.gz SCMGBWQLDAEDSY-UHFFFAOYSA-N 1 3 216.369 1.576 20 0 BDADHO COCCC[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000336770048 174260475 /nfs/dbraw/zinc/26/04/75/174260475.db2.gz VIBMUYSHJNHOSK-NWDGAFQWSA-N 1 3 216.369 1.589 20 0 BDADHO COc1ccc(CC[N@H+](C)CCCN)cc1 ZINC000049819003 175089633 /nfs/dbraw/zinc/08/96/33/175089633.db2.gz OMVNYIICFWOSCD-UHFFFAOYSA-N 1 3 222.332 1.518 20 0 BDADHO COc1ccc(CC[N@@H+](C)CCCN)cc1 ZINC000049819003 175089634 /nfs/dbraw/zinc/08/96/34/175089634.db2.gz OMVNYIICFWOSCD-UHFFFAOYSA-N 1 3 222.332 1.518 20 0 BDADHO C[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)[C@@H]1CO ZINC000305705669 176098325 /nfs/dbraw/zinc/09/83/25/176098325.db2.gz YEKXBHLNCLOALY-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)[C@@H]1CO ZINC000305705669 176098326 /nfs/dbraw/zinc/09/83/26/176098326.db2.gz YEKXBHLNCLOALY-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](C1CC1)N(C)C ZINC000360417904 176270526 /nfs/dbraw/zinc/27/05/26/176270526.db2.gz VWHCZMKWABGXSK-BNOWGMLFSA-N 1 3 239.407 1.256 20 0 BDADHO C[C@@H]1C[N@H+](CCN2CCNCC2)C(C)(C)C1 ZINC000335664914 176290447 /nfs/dbraw/zinc/29/04/47/176290447.db2.gz YJQSGKLKLQAZFY-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1C[N@@H+](CCN2CCNCC2)C(C)(C)C1 ZINC000335664914 176290449 /nfs/dbraw/zinc/29/04/49/176290449.db2.gz YJQSGKLKLQAZFY-LBPRGKRZSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000304370210 176354217 /nfs/dbraw/zinc/35/42/17/176354217.db2.gz FVGHEBHJPFAQHY-LPWJVIDDSA-N 1 3 240.416 1.954 20 0 BDADHO C[C@@H]1CSC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000304370210 176354218 /nfs/dbraw/zinc/35/42/18/176354218.db2.gz FVGHEBHJPFAQHY-LPWJVIDDSA-N 1 3 240.416 1.954 20 0 BDADHO C[C@@H]1C[C@@H](C)CN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000062910921 176362217 /nfs/dbraw/zinc/36/22/17/176362217.db2.gz VBRYHUGSDUOQLK-JHJVBQTASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc2c(c1)CCO2 ZINC000216070151 176367898 /nfs/dbraw/zinc/36/78/98/176367898.db2.gz LBUWMSSAESGWPW-YPMHNXCESA-N 1 3 246.354 1.791 20 0 BDADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000268953785 176836989 /nfs/dbraw/zinc/83/69/89/176836989.db2.gz CVKLPJJDELJCHQ-NSHDSACASA-N 1 3 238.331 1.387 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000305823735 177014683 /nfs/dbraw/zinc/01/46/83/177014683.db2.gz RRZVZBUWHLZVDN-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000305823735 177014684 /nfs/dbraw/zinc/01/46/84/177014684.db2.gz RRZVZBUWHLZVDN-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCC1=CCCOC1 ZINC000335606860 177233760 /nfs/dbraw/zinc/23/37/60/177233760.db2.gz YWAQYMGCMNPTKH-WCQYABFASA-N 1 3 224.348 1.263 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCC1=CCCOC1 ZINC000335606860 177233761 /nfs/dbraw/zinc/23/37/61/177233761.db2.gz YWAQYMGCMNPTKH-WCQYABFASA-N 1 3 224.348 1.263 20 0 BDADHO C[C@H]1CN(CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223217528 177246966 /nfs/dbraw/zinc/24/69/66/177246966.db2.gz NQPUKESXVSIXMQ-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@H]1CO ZINC000362073476 177249443 /nfs/dbraw/zinc/24/94/43/177249443.db2.gz WYAHLRMOTRRBFA-KBPBESRZSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@H]1CN(CCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000362073477 177249886 /nfs/dbraw/zinc/24/98/86/177249886.db2.gz WYAHLRMOTRRBFA-UONOGXRCSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000235368895 177257368 /nfs/dbraw/zinc/25/73/68/177257368.db2.gz MCHVJSQFGCFSFL-GRYCIOLGSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOc1ccccc1 ZINC000132407303 177324935 /nfs/dbraw/zinc/32/49/35/177324935.db2.gz QSOBLXHFWHDKKA-STQMWFEESA-N 1 3 234.343 1.735 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000122371795 177361357 /nfs/dbraw/zinc/36/13/57/177361357.db2.gz RVXGLJDHMBPUSE-GXTWGEPZSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CCc1ccccc1 ZINC000122371795 177361358 /nfs/dbraw/zinc/36/13/58/177361358.db2.gz RVXGLJDHMBPUSE-GXTWGEPZSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1ccccc1 ZINC000122371795 177361360 /nfs/dbraw/zinc/36/13/60/177361360.db2.gz RVXGLJDHMBPUSE-GXTWGEPZSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@H]1C[C@H](NCC2=CCCOC2)CC[N@@H+]1C ZINC000309660047 177368740 /nfs/dbraw/zinc/36/87/40/177368740.db2.gz ASCXPOCDAAOIFU-WCQYABFASA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H]1C[C@H](NCC2=CCCOC2)CC[N@H+]1C ZINC000309660047 177368742 /nfs/dbraw/zinc/36/87/42/177368742.db2.gz ASCXPOCDAAOIFU-WCQYABFASA-N 1 3 224.348 1.405 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCSCC1 ZINC000307082270 177396295 /nfs/dbraw/zinc/39/62/95/177396295.db2.gz HKAGCSRXNXVDMN-MWLCHTKSSA-N 1 3 214.378 1.612 20 0 BDADHO Cc1c(CN[C@@H]2CCCC[C@H]2C[NH3+])cnn1C ZINC000226305831 177593231 /nfs/dbraw/zinc/59/32/31/177593231.db2.gz JWERTSAQBZOYCD-WCQYABFASA-N 1 3 236.363 1.336 20 0 BDADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCc1cncn1C ZINC000314899756 487669890 /nfs/dbraw/zinc/66/98/90/487669890.db2.gz NFIBPAIYIDAVCX-RYUDHWBXSA-N 1 3 236.363 1.164 20 0 BDADHO Cc1cncc(CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000228620327 487693424 /nfs/dbraw/zinc/69/34/24/487693424.db2.gz AJRHQIUZUHXYNZ-ZDUSSCGKSA-N 1 3 233.359 1.951 20 0 BDADHO Cc1cncc(CN2CCC(CC[NH3+])CC2)c1 ZINC000228620434 487695265 /nfs/dbraw/zinc/69/52/65/487695265.db2.gz OHNJFJIKVGLBNU-UHFFFAOYSA-N 1 3 233.359 1.951 20 0 BDADHO CC1(C)[C@@H](C(F)(F)F)CCN1CCC[NH3+] ZINC000336713092 487719788 /nfs/dbraw/zinc/71/97/88/487719788.db2.gz VJBBGDVQFOVGDP-QMMMGPOBSA-N 1 3 224.270 1.998 20 0 BDADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000226396660 487731236 /nfs/dbraw/zinc/73/12/36/487731236.db2.gz OYQRCCYSGFBSEF-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000226396660 487731239 /nfs/dbraw/zinc/73/12/39/487731239.db2.gz OYQRCCYSGFBSEF-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)(O)CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000675500554 487742838 /nfs/dbraw/zinc/74/28/38/487742838.db2.gz XYFVMPTZGGTKAD-UHFFFAOYSA-N 1 3 249.358 1.365 20 0 BDADHO COC[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251023864 487746637 /nfs/dbraw/zinc/74/66/37/487746637.db2.gz ZXOFPQQLHQYSMJ-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000233928552 487752541 /nfs/dbraw/zinc/75/25/41/487752541.db2.gz QUUVMAAYDLIMHN-QWHCGFSZSA-N 1 3 244.379 1.112 20 0 BDADHO C[C@H](CN)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172651499 974895337 /nfs/dbraw/zinc/89/53/37/974895337.db2.gz CSQWJNFVZMZHJY-SNVBAGLBSA-N 1 3 228.380 1.907 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000234265286 487789070 /nfs/dbraw/zinc/78/90/70/487789070.db2.gz CYSFVLAYDCXEPQ-LBPRGKRZSA-N 1 3 244.379 1.112 20 0 BDADHO C[N@H+](CCCN)CCCCC1CCOCC1 ZINC000300721016 487791486 /nfs/dbraw/zinc/79/14/86/487791486.db2.gz BOBWFPWWPCCZDQ-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO C[N@@H+](CCCN)CCCCC1CCOCC1 ZINC000300721016 487791493 /nfs/dbraw/zinc/79/14/93/487791493.db2.gz BOBWFPWWPCCZDQ-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO CN(CCC[NH3+])CCCCC1CCOCC1 ZINC000300721016 487791500 /nfs/dbraw/zinc/79/15/00/487791500.db2.gz BOBWFPWWPCCZDQ-UHFFFAOYSA-N 1 3 228.380 1.864 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+]([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798142 /nfs/dbraw/zinc/79/81/42/487798142.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+]([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798144 /nfs/dbraw/zinc/79/81/44/487798144.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798145 /nfs/dbraw/zinc/79/81/45/487798145.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN([C@H]3CCCOC3)CC[C@H]21 ZINC000675983296 487798147 /nfs/dbraw/zinc/79/81/47/487798147.db2.gz PBERLFULPMERJY-HZSPNIEDSA-N 1 3 238.375 1.582 20 0 BDADHO NCCC[N@H+](CCO)CC1CCCCC1 ZINC000414747800 487820974 /nfs/dbraw/zinc/82/09/74/487820974.db2.gz SUUAYFMJPDTTJY-UHFFFAOYSA-N 1 3 214.353 1.210 20 0 BDADHO NCCC[N@@H+](CCO)CC1CCCCC1 ZINC000414747800 487820976 /nfs/dbraw/zinc/82/09/76/487820976.db2.gz SUUAYFMJPDTTJY-UHFFFAOYSA-N 1 3 214.353 1.210 20 0 BDADHO [NH3+]CCCN(CCO)CC1CCCCC1 ZINC000414747800 487820979 /nfs/dbraw/zinc/82/09/79/487820979.db2.gz SUUAYFMJPDTTJY-UHFFFAOYSA-N 1 3 214.353 1.210 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCCN)C1 ZINC000414757891 487821001 /nfs/dbraw/zinc/82/10/01/487821001.db2.gz UEVGWICEVMTCLN-MQYQWHSLSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCCN)C1 ZINC000414757891 487821006 /nfs/dbraw/zinc/82/10/06/487821006.db2.gz UEVGWICEVMTCLN-MQYQWHSLSA-N 1 3 240.391 1.597 20 0 BDADHO CC(C)C1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000488431714 527627464 /nfs/dbraw/zinc/62/74/64/527627464.db2.gz OIIWROQEXLGECV-RUXDESIVSA-N 1 3 240.391 1.467 20 0 BDADHO NC[C@@H](NCCC[NH3+])c1ccc2ccccc2c1 ZINC000414951504 487831379 /nfs/dbraw/zinc/83/13/79/487831379.db2.gz JCJMFDDQDFURBZ-OAHLLOKOSA-N 1 3 243.354 1.778 20 0 BDADHO CCCC[C@H](CC)CC[N@H+](C)C[C@H](O)CN ZINC000415073877 487836427 /nfs/dbraw/zinc/83/64/27/487836427.db2.gz ZAWXBHTUOKYVFL-QWHCGFSZSA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@H](CC)CC[N@@H+](C)C[C@H](O)CN ZINC000415073877 487836435 /nfs/dbraw/zinc/83/64/35/487836435.db2.gz ZAWXBHTUOKYVFL-QWHCGFSZSA-N 1 3 230.396 1.844 20 0 BDADHO CCCC[C@H](CC)CCN(C)C[C@H](O)C[NH3+] ZINC000415073877 487836448 /nfs/dbraw/zinc/83/64/48/487836448.db2.gz ZAWXBHTUOKYVFL-QWHCGFSZSA-N 1 3 230.396 1.844 20 0 BDADHO [NH3+]CCCNCCc1ccc(F)cc1Cl ZINC000415092090 487837073 /nfs/dbraw/zinc/83/70/73/487837073.db2.gz SBAKGGDEAMYXED-UHFFFAOYSA-N 1 3 230.714 1.960 20 0 BDADHO NCCC[NH2+]CCc1ccc(F)cc1Cl ZINC000415092090 487837080 /nfs/dbraw/zinc/83/70/80/487837080.db2.gz SBAKGGDEAMYXED-UHFFFAOYSA-N 1 3 230.714 1.960 20 0 BDADHO CC(C)[C@H]([NH2+]CCCN)C1(CO)CCCC1 ZINC000415104734 487837882 /nfs/dbraw/zinc/83/78/82/487837882.db2.gz LKIFBXFHFKRBTE-LBPRGKRZSA-N 1 3 228.380 1.502 20 0 BDADHO Cc1ccc(NCCC[NH3+])c(CN(C)C)c1 ZINC000415120600 487838623 /nfs/dbraw/zinc/83/86/23/487838623.db2.gz LMTPAKQIFZLBIR-UHFFFAOYSA-N 1 3 221.348 1.817 20 0 BDADHO CSCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880471901 591051859 /nfs/dbraw/zinc/05/18/59/591051859.db2.gz APFCWEVLIISXES-UHFFFAOYSA-N 1 3 228.405 1.910 20 0 BDADHO CN(Cc1ccccc1)[C@@H]1CCN(CCC[NH3+])C1 ZINC000666645410 487848802 /nfs/dbraw/zinc/84/88/02/487848802.db2.gz RVUBPUDIWXEWRS-OAHLLOKOSA-N 1 3 247.386 1.542 20 0 BDADHO C[C@H]([NH3+])[C@H](C)NC[C@H]1CCOc2ccccc21 ZINC000666930222 487907749 /nfs/dbraw/zinc/90/77/49/487907749.db2.gz ANKQAKYHGFSFDO-SDDRHHMPSA-N 1 3 234.343 1.878 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2c1NCC2 ZINC000566230027 322976603 /nfs/dbraw/zinc/97/66/03/322976603.db2.gz AAYVNGZHROHGDM-MNOVXSKESA-N 1 3 233.359 1.870 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000562959724 323035331 /nfs/dbraw/zinc/03/53/31/323035331.db2.gz NIRFNABTEHMQMD-SCUASFONSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCCNC1 ZINC000562959724 323035332 /nfs/dbraw/zinc/03/53/32/323035332.db2.gz NIRFNABTEHMQMD-SCUASFONSA-N 1 3 238.375 1.532 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000569658366 323035710 /nfs/dbraw/zinc/03/57/10/323035710.db2.gz CEKJLMPJZFVHQD-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](O)C(F)F ZINC000570942075 323076165 /nfs/dbraw/zinc/07/61/65/323076165.db2.gz NZWVCUSIAPWRCW-IMSYWVGJSA-N 1 3 236.306 1.251 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)CSC)C1 ZINC000562984714 323078100 /nfs/dbraw/zinc/07/81/00/323078100.db2.gz FMFLQCHANWEYTF-NWDGAFQWSA-N 1 3 246.420 1.032 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000563153885 323095865 /nfs/dbraw/zinc/09/58/65/323095865.db2.gz GDFWRSRLPXMDLC-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000563153885 323095866 /nfs/dbraw/zinc/09/58/66/323095866.db2.gz GDFWRSRLPXMDLC-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@H]2CN)C[C@@H](C)O1 ZINC000563435564 323125423 /nfs/dbraw/zinc/12/54/23/323125423.db2.gz NAKROTHDUJEHAJ-HNCHTBHHSA-N 1 3 226.364 1.659 20 0 BDADHO COCC1(CCN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000571284813 323140268 /nfs/dbraw/zinc/14/02/68/323140268.db2.gz QMGYHQBBHTZSEA-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](NCC[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000530211537 323211605 /nfs/dbraw/zinc/21/16/05/323211605.db2.gz METULNBIFRYAIH-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396623814 323394393 /nfs/dbraw/zinc/39/43/93/323394393.db2.gz VTPQKXJLKTUOBF-FVCCEPFGSA-N 1 3 225.380 1.057 20 0 BDADHO COCC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000122600336 324050751 /nfs/dbraw/zinc/05/07/51/324050751.db2.gz JHYCFXPLYKIYBW-AVGNSLFASA-N 1 3 228.380 1.874 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C1CCOCC1 ZINC000521736681 324192073 /nfs/dbraw/zinc/19/20/73/324192073.db2.gz UVWXTPMYMILRFU-OCCSQVGLSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCOC2)CCN1 ZINC000530213017 324529437 /nfs/dbraw/zinc/52/94/37/324529437.db2.gz SUBAAPHHJYUASD-FRRDWIJNSA-N 1 3 226.364 1.533 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222583 324541601 /nfs/dbraw/zinc/54/16/01/324541601.db2.gz RQPFRAJBCMKQCO-QBHFIFKDSA-N 1 3 224.348 1.273 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000131642663 325172639 /nfs/dbraw/zinc/17/26/39/325172639.db2.gz QHDYJEVAWZSMGE-SECBINFHSA-N 1 3 221.304 1.082 20 0 BDADHO COC[C@H](C)NCC[C@H](C)[NH+]1CCCCC1 ZINC000134896478 325381770 /nfs/dbraw/zinc/38/17/70/325381770.db2.gz IMRDIFXEXDGJDU-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO COC[C@H](C)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000134896478 325381771 /nfs/dbraw/zinc/38/17/71/325381771.db2.gz IMRDIFXEXDGJDU-STQMWFEESA-N 1 3 228.380 1.875 20 0 BDADHO C([NH2+][C@H]1CCC12CCOCC2)[C@@H]1CCCNC1 ZINC000564791794 325809328 /nfs/dbraw/zinc/80/93/28/325809328.db2.gz HORZWISPGZLWIK-OLZOCXBDSA-N 1 3 238.375 1.535 20 0 BDADHO F[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCNCC2)C1 ZINC000565480335 325917355 /nfs/dbraw/zinc/91/73/55/325917355.db2.gz CMVYSTMYFXBJRF-IJLUTSLNSA-N 1 3 214.328 1.999 20 0 BDADHO CC[C@H](COC)NCCC[NH2+]C(C)C ZINC000565827673 325961264 /nfs/dbraw/zinc/96/12/64/325961264.db2.gz XRTRIRUUHZYJQV-LLVKDONJSA-N 1 3 202.342 1.389 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc2c[nH]nc2c1 ZINC000566229883 326018997 /nfs/dbraw/zinc/01/89/97/326018997.db2.gz RFWCVJPKNKYZSB-NXEZZACHSA-N 1 3 232.331 1.778 20 0 BDADHO COC(=O)CC1([NH2+]C[C@@H](N)CC(C)C)CC1 ZINC000566316975 326032769 /nfs/dbraw/zinc/03/27/69/326032769.db2.gz AOOPJXDXKKTIGD-JTQLQIEISA-N 1 3 228.336 1.045 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566481543 326055687 /nfs/dbraw/zinc/05/56/87/326055687.db2.gz IJQGSRAJXPQXNK-QIOFFNHISA-N 1 3 212.337 1.173 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000566482007 326055797 /nfs/dbraw/zinc/05/57/97/326055797.db2.gz LPVQAELYOBLCAK-CYDGBPFRSA-N 1 3 208.349 1.892 20 0 BDADHO CCNCCC[NH2+][C@H]1CCC[C@H]1COCC ZINC000566614425 326067877 /nfs/dbraw/zinc/06/78/77/326067877.db2.gz RIVPDDYRNJXMHD-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO CNC[C@](C)(O)C[NH+]1CCC(C)(C)CC1 ZINC000567054689 326107486 /nfs/dbraw/zinc/10/74/86/326107486.db2.gz XUPODRJZCWUEQJ-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC(C)(C)CC1 ZINC000567054689 326107487 /nfs/dbraw/zinc/10/74/87/326107487.db2.gz XUPODRJZCWUEQJ-LBPRGKRZSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052453 326217759 /nfs/dbraw/zinc/21/77/59/326217759.db2.gz WCDHLTYOIBGRKE-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)C ZINC000156052453 326217760 /nfs/dbraw/zinc/21/77/60/326217760.db2.gz WCDHLTYOIBGRKE-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000567682911 326243880 /nfs/dbraw/zinc/24/38/80/326243880.db2.gz BQSCRYZPEBQRGV-JHJVBQTASA-N 1 3 242.407 1.856 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)C(C)(C)C)C1 ZINC000567682911 326243881 /nfs/dbraw/zinc/24/38/81/326243881.db2.gz BQSCRYZPEBQRGV-JHJVBQTASA-N 1 3 242.407 1.856 20 0 BDADHO CCn1ccnc1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568845351 326379076 /nfs/dbraw/zinc/37/90/76/326379076.db2.gz ZLACFFWDXWLDDV-NWDGAFQWSA-N 1 3 236.363 1.510 20 0 BDADHO CC(C)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084384848 488049686 /nfs/dbraw/zinc/04/96/86/488049686.db2.gz DAGRVXBIJUOLRJ-ZDUSSCGKSA-N 1 3 225.380 1.012 20 0 BDADHO O=c1ccc(C[NH2+]CCCN2CCCCC2)c[nH]1 ZINC000236412583 488059906 /nfs/dbraw/zinc/05/99/06/488059906.db2.gz PUNPBAOIAJTBBS-UHFFFAOYSA-N 1 3 249.358 1.341 20 0 BDADHO CC[C@H](N[C@H](C)C1C[NH2+]C1)[C@@H]1CCCCO1 ZINC000656200610 488066695 /nfs/dbraw/zinc/06/66/95/488066695.db2.gz BBTUVTADGSHAGN-WXHSDQCUSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@H]([NH2+][C@H](C)C1CNC1)[C@@H]1CCCCO1 ZINC000656200610 488066701 /nfs/dbraw/zinc/06/67/01/488066701.db2.gz BBTUVTADGSHAGN-WXHSDQCUSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](Cc1ccccn1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000656200604 488066968 /nfs/dbraw/zinc/06/69/68/488066968.db2.gz AVZZTVMOFAAMJQ-YXQSOJMXSA-N 1 3 245.370 1.885 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000401942286 488074218 /nfs/dbraw/zinc/07/42/18/488074218.db2.gz TXMRYSZHJXVYIO-YNEHKIRRSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@@H]1CCN[C@H](C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000669508370 488108898 /nfs/dbraw/zinc/10/88/98/488108898.db2.gz OVRVEYPHFBOUOE-MFKMUULPSA-N 1 3 247.342 1.472 20 0 BDADHO C[NH+](C)CCCN[C@H]1CO[C@@H](C2CC2)C1 ZINC000667763021 488111716 /nfs/dbraw/zinc/11/17/16/488111716.db2.gz NONSFHHGHDUNGE-VXGBXAGGSA-N 1 3 212.337 1.095 20 0 BDADHO CCN1CCN(CCC[NH+](CC)CC)C[C@@H]1C ZINC000683141629 488117694 /nfs/dbraw/zinc/11/76/94/488117694.db2.gz IWUBNICVLYIRKM-AWEZNQCLSA-N 1 3 241.423 1.744 20 0 BDADHO C[C@@H]1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1[NH3+] ZINC000403626998 488129430 /nfs/dbraw/zinc/12/94/30/488129430.db2.gz MDUQZTCGGCOSDG-NJMOYASZSA-N 1 3 208.349 1.702 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H]1C ZINC000381100997 487496648 /nfs/dbraw/zinc/49/66/48/487496648.db2.gz XVRYJCMNNHOKJT-AGIUHOORSA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H]1C ZINC000381100997 487496655 /nfs/dbraw/zinc/49/66/55/487496655.db2.gz XVRYJCMNNHOKJT-AGIUHOORSA-N 1 3 228.380 1.418 20 0 BDADHO Cc1csc(CCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086404111 487500874 /nfs/dbraw/zinc/50/08/74/487500874.db2.gz NIQUAPMBFMVWSY-WDEREUQCSA-N 1 3 239.388 1.854 20 0 BDADHO COC[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500527 487514759 /nfs/dbraw/zinc/51/47/59/487514759.db2.gz HHTNNGLKCPWQDP-FRRDWIJNSA-N 1 3 228.380 1.922 20 0 BDADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)CC1CCCCC1 ZINC000662968020 487776212 /nfs/dbraw/zinc/77/62/12/487776212.db2.gz QBOVGDDXUPOJKI-JQWIXIFHSA-N 1 3 241.379 1.008 20 0 BDADHO CCOC[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000160674252 488150978 /nfs/dbraw/zinc/15/09/78/488150978.db2.gz WSBVNXVEAYQISR-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@H]1CCCn2nccc21 ZINC000657859294 488152912 /nfs/dbraw/zinc/15/29/12/488152912.db2.gz RYOCUQNBYTZTMP-RYUDHWBXSA-N 1 3 236.363 1.648 20 0 BDADHO c1ccc([C@@H]2C[C@@H]2CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343384 488243241 /nfs/dbraw/zinc/24/32/41/488243241.db2.gz SNWZRFUMKOMUEL-UGUYLWEFSA-N 1 3 242.366 1.941 20 0 BDADHO Cc1cc(CN[C@H](C)C2CC[NH+](C)CC2)ncn1 ZINC000678605622 488271536 /nfs/dbraw/zinc/27/15/36/488271536.db2.gz RZFJYFAZSZKWNG-GFCCVEGCSA-N 1 3 248.374 1.605 20 0 BDADHO C[C@H](CN1CCCCC1)NC(=O)CC(C)(C)[NH3+] ZINC000084165041 490377413 /nfs/dbraw/zinc/37/74/13/490377413.db2.gz VFIMOOTWGOKNKD-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](CC)NC ZINC000662399157 491099469 /nfs/dbraw/zinc/09/94/69/491099469.db2.gz NSKNVLHYZAERPN-GFCCVEGCSA-N 1 3 249.358 1.733 20 0 BDADHO C[C@H](N[C@@H](C)C1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000400709339 533973400 /nfs/dbraw/zinc/97/34/00/533973400.db2.gz LWASCNCEWQBUGW-GMXVVIOVSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]([NH2+][C@@H](C)C1CCOCC1)[C@H]1CCCN1 ZINC000400709339 533973408 /nfs/dbraw/zinc/97/34/08/533973408.db2.gz LWASCNCEWQBUGW-GMXVVIOVSA-N 1 3 226.364 1.532 20 0 BDADHO CCn1nccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262071192 535868314 /nfs/dbraw/zinc/86/83/14/535868314.db2.gz SBAWXPOULMYPRK-UHFFFAOYSA-N 1 3 248.374 1.479 20 0 BDADHO CCO[C@@H](CC[NH+](C)C)CNC1CSC1 ZINC000393615759 582824572 /nfs/dbraw/zinc/82/45/72/582824572.db2.gz ZUJRVBHJCSNJHQ-NSHDSACASA-N 1 3 232.393 1.048 20 0 BDADHO CCc1cc(CNCC2CC[NH+](C)CC2)on1 ZINC000892397890 582875890 /nfs/dbraw/zinc/87/58/90/582875890.db2.gz RVSYYQRYPIZAAS-UHFFFAOYSA-N 1 3 237.347 1.668 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817421 /nfs/dbraw/zinc/81/74/21/527817421.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 1 3 210.365 1.916 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817433 /nfs/dbraw/zinc/81/74/33/527817433.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 1 3 210.365 1.916 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817437 /nfs/dbraw/zinc/81/74/37/527817437.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 1 3 210.365 1.916 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2C[C@H]2C)C1 ZINC000488355533 527817440 /nfs/dbraw/zinc/81/74/40/527817440.db2.gz RONBSJMKVOGAAF-FRRDWIJNSA-N 1 3 210.365 1.916 20 0 BDADHO CC(C)N(C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400551018 528824296 /nfs/dbraw/zinc/82/42/96/528824296.db2.gz XNPGPEOOHWBGTA-VXGBXAGGSA-N 1 3 213.369 1.057 20 0 BDADHO CC[C@@H]1CCCN(C(C)(C)CNC(N)=[NH2+])C1 ZINC000304052645 529296383 /nfs/dbraw/zinc/29/63/83/529296383.db2.gz LHLQBZMMIJVXJN-SNVBAGLBSA-N 1 3 226.368 1.370 20 0 BDADHO CC(C)[C@H](CO)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227542088 535038322 /nfs/dbraw/zinc/03/83/22/535038322.db2.gz DOTDWQFRHDVYEW-RDBSUJKOSA-N 1 3 234.343 1.738 20 0 BDADHO CC(C)N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000335320867 535196945 /nfs/dbraw/zinc/19/69/45/535196945.db2.gz IRNNGAYAQPBMQE-CYBMUJFWSA-N 1 3 239.407 1.495 20 0 BDADHO CC(C)N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000335320867 535196951 /nfs/dbraw/zinc/19/69/51/535196951.db2.gz IRNNGAYAQPBMQE-CYBMUJFWSA-N 1 3 239.407 1.495 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000249328020 535541041 /nfs/dbraw/zinc/54/10/41/535541041.db2.gz VBIBSXCZFKRXFQ-HZSPNIEDSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@@H]1COCCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261533657 535834579 /nfs/dbraw/zinc/83/45/79/535834579.db2.gz JJWPHLROIHTELN-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000348128879 535860602 /nfs/dbraw/zinc/86/06/02/535860602.db2.gz QNFHEFHYSIFJGI-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000348128879 535860605 /nfs/dbraw/zinc/86/06/05/535860605.db2.gz QNFHEFHYSIFJGI-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H]1C[C@H](CN2C[C@@H](C)[C@@H]([NH3+])C2)CCO1 ZINC000262061736 535899722 /nfs/dbraw/zinc/89/97/22/535899722.db2.gz RESPPVNJCSEIKK-LPWJVIDDSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H](COC)NCCC[NH+]1CCCCC1 ZINC000070656277 536121510 /nfs/dbraw/zinc/12/15/10/536121510.db2.gz ZUKGFBNGFBXDOF-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000336120970 536138527 /nfs/dbraw/zinc/13/85/27/536138527.db2.gz GRXLJLRHXGXXKA-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000336120970 536138531 /nfs/dbraw/zinc/13/85/31/536138531.db2.gz GRXLJLRHXGXXKA-KGLIPLIRSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CCC[NH3+])[C@H]1CCc2ccccc21 ZINC000227743091 536343137 /nfs/dbraw/zinc/34/31/37/536343137.db2.gz FMCFCZVZORQVAU-ZDUSSCGKSA-N 1 3 204.317 1.955 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000261534123 536705904 /nfs/dbraw/zinc/70/59/04/536705904.db2.gz NKDGOGYIFYUITE-RVMXOQNASA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000851985999 582990471 /nfs/dbraw/zinc/99/04/71/582990471.db2.gz YHEGXZMGQVULRG-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000851985999 582990472 /nfs/dbraw/zinc/99/04/72/582990472.db2.gz YHEGXZMGQVULRG-MGPQQGTHSA-N 1 3 240.391 1.970 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CCC2SCCS2)C1 ZINC000853022943 588716602 /nfs/dbraw/zinc/71/66/02/588716602.db2.gz INTWYXZVIHADOR-JTQLQIEISA-N 1 3 246.445 1.853 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCC2SCCS2)C1 ZINC000853023511 588716623 /nfs/dbraw/zinc/71/66/23/588716623.db2.gz ZLVOGPLFGFRQJP-ZJUUUORDSA-N 1 3 246.445 1.852 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C=CCC1 ZINC000854221730 588780403 /nfs/dbraw/zinc/78/04/03/588780403.db2.gz UBQHAPBOAFURHH-BJDJZHNGSA-N 1 3 210.321 1.047 20 0 BDADHO OCc1cnccc1NCCC[NH+]1CCCCC1 ZINC000891592976 582700486 /nfs/dbraw/zinc/70/04/86/582700486.db2.gz PCFWLZHOVLVMBS-UHFFFAOYSA-N 1 3 249.358 1.284 20 0 BDADHO CC[NH+](CC)[C@H](C)CNc1ccncc1CO ZINC000891789862 582721089 /nfs/dbraw/zinc/72/10/89/582721089.db2.gz RMOZEAIXWFLQTI-LLVKDONJSA-N 1 3 237.347 1.138 20 0 BDADHO Cc1cc(N)nc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000892086773 582788362 /nfs/dbraw/zinc/78/83/62/582788362.db2.gz YTCYAENUWKSUCP-QMMMGPOBSA-N 1 3 223.324 1.119 20 0 BDADHO Cc1cc(F)ncc1C[NH2+][C@H](C)CCN(C)C ZINC000892762689 582977798 /nfs/dbraw/zinc/97/77/98/582977798.db2.gz CVQKUUMOAWBLFS-LLVKDONJSA-N 1 3 239.338 1.959 20 0 BDADHO C[C@@H]1C[N@H+](CC2CCN(C)CC2)[C@@H](C)CN1C ZINC000893668433 583192099 /nfs/dbraw/zinc/19/20/99/583192099.db2.gz FJVUPDOEYQSXKL-OLZOCXBDSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1C[N@@H+](CC2CCN(C)CC2)[C@@H](C)CN1C ZINC000893668433 583192101 /nfs/dbraw/zinc/19/21/01/583192101.db2.gz FJVUPDOEYQSXKL-OLZOCXBDSA-N 1 3 239.407 1.353 20 0 BDADHO CC[C@H]1C[N@H+](CC2CCN(C)CC2)CCCO1 ZINC000894246360 583389709 /nfs/dbraw/zinc/38/97/09/583389709.db2.gz RUGYYXQALSSZJY-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@H]1C[N@@H+](CC2CCN(C)CC2)CCCO1 ZINC000894246360 583389710 /nfs/dbraw/zinc/38/97/10/583389710.db2.gz RUGYYXQALSSZJY-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CCC(C[NH+]2CC3(C2)CCOC3)CC1 ZINC000894649588 583500011 /nfs/dbraw/zinc/50/00/11/583500011.db2.gz PUCLEWRJAHUWLU-UHFFFAOYSA-N 1 3 224.348 1.051 20 0 BDADHO Cc1ncoc1CNCCCC[N@@H+](C)C1CC1 ZINC000894968940 583560507 /nfs/dbraw/zinc/56/05/07/583560507.db2.gz ZQAZEKYPQKAWJR-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO Cc1ncoc1CNCCCC[N@H+](C)C1CC1 ZINC000894968940 583560510 /nfs/dbraw/zinc/56/05/10/583560510.db2.gz ZQAZEKYPQKAWJR-UHFFFAOYSA-N 1 3 237.347 1.947 20 0 BDADHO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000335064902 583605325 /nfs/dbraw/zinc/60/53/25/583605325.db2.gz XLWNWGJQAXRZPG-YGRLFVJLSA-N 1 3 232.327 1.557 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000895386800 583663325 /nfs/dbraw/zinc/66/33/25/583663325.db2.gz YCCILGUTEXEEBY-KBPBESRZSA-N 1 3 238.375 1.297 20 0 BDADHO CN1CCC(C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000895386800 583663326 /nfs/dbraw/zinc/66/33/26/583663326.db2.gz YCCILGUTEXEEBY-KBPBESRZSA-N 1 3 238.375 1.297 20 0 BDADHO CCO[C@H](CNc1cc[nH+]c(C)c1)CN(C)C ZINC000896117475 583772387 /nfs/dbraw/zinc/77/23/87/583772387.db2.gz VFRVWMOCHKUUKC-CYBMUJFWSA-N 1 3 237.347 1.191 20 0 BDADHO C[C@@H]1CC[N@H+](CC2CCN(C)CC2)CCO1 ZINC000896577909 583814774 /nfs/dbraw/zinc/81/47/74/583814774.db2.gz DKBQPSPSBZBSKL-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1CC[N@@H+](CC2CCN(C)CC2)CCO1 ZINC000896577909 583814776 /nfs/dbraw/zinc/81/47/76/583814776.db2.gz DKBQPSPSBZBSKL-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CCO[C@@H](CNCCSCC)C[NH+](C)C ZINC000896880252 583845616 /nfs/dbraw/zinc/84/56/16/583845616.db2.gz SBHLBRSUGIINOM-NSHDSACASA-N 1 3 234.409 1.296 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccnc(CO)c2)C1 ZINC000858436737 588954678 /nfs/dbraw/zinc/95/46/78/588954678.db2.gz OPTIHRWNVYPXNI-SMDDNHRTSA-N 1 3 249.358 1.859 20 0 BDADHO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(N)n1 ZINC000730107125 584123892 /nfs/dbraw/zinc/12/38/92/584123892.db2.gz XOVRTPXODSJANC-JTQLQIEISA-N 1 3 235.335 1.119 20 0 BDADHO C[C@H](CNC(=[NH2+])N[C@@H](C)C1CC1)N1CCCC1 ZINC000899266751 584190215 /nfs/dbraw/zinc/19/02/15/584190215.db2.gz XDVYWGKVPNWTIT-MNOVXSKESA-N 1 3 238.379 1.383 20 0 BDADHO C[C@@H]([NH3+])c1ccc(-c2cnn(C)c2CN)cc1F ZINC000899324425 584196577 /nfs/dbraw/zinc/19/65/77/584196577.db2.gz ZKUDBHFKLCMMBP-MRVPVSSYSA-N 1 3 248.305 1.705 20 0 BDADHO C[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316177 584556028 /nfs/dbraw/zinc/55/60/28/584556028.db2.gz FGLZAIZUCLTQHC-VXGBXAGGSA-N 1 3 227.396 1.304 20 0 BDADHO CO[C@@H](C)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902349273 584559884 /nfs/dbraw/zinc/55/98/84/584559884.db2.gz YNLPJJJEKHHCQP-NWDGAFQWSA-N 1 3 228.380 1.779 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCCCCO)C1 ZINC000902374816 584567069 /nfs/dbraw/zinc/56/70/69/584567069.db2.gz DDDGTKIYWINBNV-LLVKDONJSA-N 1 3 214.353 1.127 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CCCCO)C1 ZINC000902374816 584567068 /nfs/dbraw/zinc/56/70/68/584567068.db2.gz DDDGTKIYWINBNV-LLVKDONJSA-N 1 3 214.353 1.127 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000902360682 584571463 /nfs/dbraw/zinc/57/14/63/584571463.db2.gz LYCCNSPKQCMNMT-XQQFMLRXSA-N 1 3 238.375 1.291 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902362116 584571957 /nfs/dbraw/zinc/57/19/57/584571957.db2.gz WBFVEXVHASJQIE-TZMCWYRMSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)[C@](C)(O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362116 584571958 /nfs/dbraw/zinc/57/19/58/584571958.db2.gz WBFVEXVHASJQIE-TZMCWYRMSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)[C@](C)(O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902362113 584572478 /nfs/dbraw/zinc/57/24/78/584572478.db2.gz WBFVEXVHASJQIE-GXTWGEPZSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)[C@](C)(O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902362113 584572480 /nfs/dbraw/zinc/57/24/80/584572480.db2.gz WBFVEXVHASJQIE-GXTWGEPZSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902384510 584577629 /nfs/dbraw/zinc/57/76/29/584577629.db2.gz LQCSRMWVXSXQSN-STQMWFEESA-N 1 3 242.407 1.619 20 0 BDADHO C[C@@H](CCO)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902387270 584579496 /nfs/dbraw/zinc/57/94/96/584579496.db2.gz IXRBISYNBOBVDU-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390033 584581369 /nfs/dbraw/zinc/58/13/69/584581369.db2.gz FSCPPWAOCNERAK-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO NOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000902415712 584589815 /nfs/dbraw/zinc/58/98/15/584589815.db2.gz POVDKSJEYARRCI-FRRDWIJNSA-N 1 3 241.379 1.167 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCC[C@@H]1CCCC[C@@H]1O ZINC000902433292 584596202 /nfs/dbraw/zinc/59/62/02/584596202.db2.gz ZWSKIHFKESQAFV-RVMXOQNASA-N 1 3 226.364 1.397 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)C1CNC1 ZINC000902434886 584596720 /nfs/dbraw/zinc/59/67/20/584596720.db2.gz POMVYXZCNMFYKC-GVXVVHGQSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](NCC[C@@H]1CCCC[C@@H]1O)C1C[NH2+]C1 ZINC000902434886 584596721 /nfs/dbraw/zinc/59/67/21/584596721.db2.gz POMVYXZCNMFYKC-GVXVVHGQSA-N 1 3 226.364 1.125 20 0 BDADHO CC1(C)C[NH2+]C[C@@H]1NC1CCN(C2CC2)CC1 ZINC000902445551 584598822 /nfs/dbraw/zinc/59/88/22/584598822.db2.gz QAANAQGWQCXZMF-ZDUSSCGKSA-N 1 3 237.391 1.201 20 0 BDADHO [NH3+]C1(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000902413294 584599437 /nfs/dbraw/zinc/59/94/37/584599437.db2.gz JQEKYOFGLWMHGR-UTLUCORTSA-N 1 3 244.429 1.447 20 0 BDADHO [NH3+]C1(CN[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000902413292 584599452 /nfs/dbraw/zinc/59/94/52/584599452.db2.gz JQEKYOFGLWMHGR-OPRDCNLKSA-N 1 3 244.429 1.447 20 0 BDADHO C[C@@H](CCCCO)[NH2+][C@H]1CNCC1(C)C ZINC000902449467 584606084 /nfs/dbraw/zinc/60/60/84/584606084.db2.gz OUSBHBJGWHEQBT-QWRGUYRKSA-N 1 3 214.353 1.125 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000902455835 584609328 /nfs/dbraw/zinc/60/93/28/584609328.db2.gz NEGHSZJJIWHJFS-QCNOEVLYSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCN1CCC(C)(C)C1 ZINC000902456385 584610312 /nfs/dbraw/zinc/61/03/12/584610312.db2.gz OMMUHHKQWYTZDT-QWHCGFSZSA-N 1 3 239.407 1.306 20 0 BDADHO CC1(C)CCN(CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000902458469 584610756 /nfs/dbraw/zinc/61/07/56/584610756.db2.gz XZWKVUXLJFABJL-GFCCVEGCSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](NC[C@@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461541 584611425 /nfs/dbraw/zinc/61/14/25/584611425.db2.gz ONERMZIBKQHWCE-JQWIXIFHSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCCC(C)(C)O1)C1CNC1 ZINC000902461541 584611426 /nfs/dbraw/zinc/61/14/26/584611426.db2.gz ONERMZIBKQHWCE-JQWIXIFHSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)C1 ZINC000902466917 584614667 /nfs/dbraw/zinc/61/46/67/584614667.db2.gz ORHZDBKDPSJOPQ-NJMOYASZSA-N 1 3 224.348 1.427 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCCN2)[C@@H](C)O1 ZINC000902481733 584623837 /nfs/dbraw/zinc/62/38/37/584623837.db2.gz GHGJJMRYDAPYOT-LPWJVIDDSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1COC[C@@H]1C1CC1 ZINC000902517536 584630405 /nfs/dbraw/zinc/63/04/05/584630405.db2.gz JBVCWMMCCFPNHV-ZZVYKPCYSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902517536 584630408 /nfs/dbraw/zinc/63/04/08/584630408.db2.gz JBVCWMMCCFPNHV-ZZVYKPCYSA-N 1 3 238.375 1.389 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902518428 584630827 /nfs/dbraw/zinc/63/08/27/584630827.db2.gz LCOZYAZPXHWGBE-XDQVBPFNSA-N 1 3 238.375 1.519 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]2C)[C@H](C)C1 ZINC000903302884 584745417 /nfs/dbraw/zinc/74/54/17/584745417.db2.gz HJKBOWIGJPBIIA-ZOBORPQBSA-N 1 3 239.407 1.399 20 0 BDADHO CN1CC[C@H]1C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000903316718 584750088 /nfs/dbraw/zinc/75/00/88/584750088.db2.gz QNMNUVMJQCSPDP-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H]1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000903316718 584750089 /nfs/dbraw/zinc/75/00/89/584750089.db2.gz QNMNUVMJQCSPDP-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO CN1CC[C@H]1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000903316718 584750090 /nfs/dbraw/zinc/75/00/90/584750090.db2.gz QNMNUVMJQCSPDP-NEPJUHHUSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)C1Cc2ccccc2C1 ZINC000903433090 584762193 /nfs/dbraw/zinc/76/21/93/584762193.db2.gz UCVHWDSTHRGHOS-DOMZBBRYSA-N 1 3 244.382 1.941 20 0 BDADHO CC[C@@](C)(CC(=O)OC)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903459514 584766116 /nfs/dbraw/zinc/76/61/16/584766116.db2.gz UWSRAEREUJYRLN-MDZLAQPJSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@H]1CCO ZINC000903463980 584767634 /nfs/dbraw/zinc/76/76/34/584767634.db2.gz VLKPZRLMCKXJOG-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO COC[C@H](CN1C[C@H]2CCC[C@@]2([NH3+])C1)C(C)C ZINC000903464589 584771800 /nfs/dbraw/zinc/77/18/00/584771800.db2.gz SRAPFVQBMYUROL-BFHYXJOUSA-N 1 3 240.391 1.718 20 0 BDADHO CCN1C[C@@H](C)N(C[C@@H]2C[NH2+]C[C@H]2C)C[C@H]1C ZINC000903454592 584773237 /nfs/dbraw/zinc/77/32/37/584773237.db2.gz DLXACHGKPMZAHA-SYQHCUMBSA-N 1 3 239.407 1.256 20 0 BDADHO C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OC1CC1 ZINC000903454453 584773736 /nfs/dbraw/zinc/77/37/36/584773736.db2.gz ZWSXQYQELAFJEZ-TZMCWYRMSA-N 1 3 238.375 1.629 20 0 BDADHO COC[C@@H](CN1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000903455369 584774211 /nfs/dbraw/zinc/77/42/11/584774211.db2.gz VXMGPVUWCBEYEA-TUAOUCFPSA-N 1 3 214.353 1.327 20 0 BDADHO OCCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000903468850 584774977 /nfs/dbraw/zinc/77/49/77/584774977.db2.gz OUPXQMRXCQQJHA-GFCCVEGCSA-N 1 3 226.364 1.413 20 0 BDADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000903470824 584775227 /nfs/dbraw/zinc/77/52/27/584775227.db2.gz DQASAXPLQCYSKG-GRYCIOLGSA-N 1 3 208.349 1.907 20 0 BDADHO CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903513084 584781397 /nfs/dbraw/zinc/78/13/97/584781397.db2.gz QNLLQWQIRRUKCR-OKILXGFUSA-N 1 3 237.391 1.297 20 0 BDADHO CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903513084 584781398 /nfs/dbraw/zinc/78/13/98/584781398.db2.gz QNLLQWQIRRUKCR-OKILXGFUSA-N 1 3 237.391 1.297 20 0 BDADHO C[C@@H](O)CCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903730443 584793177 /nfs/dbraw/zinc/79/31/77/584793177.db2.gz WHFFVTWEJIZAGE-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO COCC[NH2+]C1CCN(CC2CC(C)C2)CC1 ZINC000903764534 584797342 /nfs/dbraw/zinc/79/73/42/584797342.db2.gz UJXOWQMRCCJNKF-UHFFFAOYSA-N 1 3 240.391 1.733 20 0 BDADHO C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N(C1CC1)C1CC1 ZINC000903770853 584798815 /nfs/dbraw/zinc/79/88/15/584798815.db2.gz ZLZSJFBOWTXBMB-UONOGXRCSA-N 1 3 236.359 1.382 20 0 BDADHO NC[C@@]12CC[C@@H]1CCC[N@@H+]2CCc1cccnc1 ZINC000903798465 584801565 /nfs/dbraw/zinc/80/15/65/584801565.db2.gz NNRIXSRDVNFDSY-GJZGRUSLSA-N 1 3 245.370 1.827 20 0 BDADHO NC[C@@]12CC[C@@H]1CCC[N@H+]2CCc1cccnc1 ZINC000903798465 584801567 /nfs/dbraw/zinc/80/15/67/584801567.db2.gz NNRIXSRDVNFDSY-GJZGRUSLSA-N 1 3 245.370 1.827 20 0 BDADHO C[C@@H]1CC=CC[C@H]1[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000903850173 584808239 /nfs/dbraw/zinc/80/82/39/584808239.db2.gz LNHXSKAFDOEEDD-FRRDWIJNSA-N 1 3 236.359 1.452 20 0 BDADHO [NH3+]C[C@]12CC[C@@H]1CCN2CC[C@@H]1CCCO1 ZINC000903856542 584809376 /nfs/dbraw/zinc/80/93/76/584809376.db2.gz ABOKYPBBFDCKFI-FRRDWIJNSA-N 1 3 224.348 1.369 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CC[C@H]1CCCCO1 ZINC000903861987 584812804 /nfs/dbraw/zinc/81/28/04/584812804.db2.gz ZTYZLDYGLQSZJL-BFHYXJOUSA-N 1 3 238.375 1.759 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H]2CSC[C@]2(C)C1 ZINC000903870441 584814328 /nfs/dbraw/zinc/81/43/28/584814328.db2.gz HIWOVUOCLXVNEK-XQHKEYJVSA-N 1 3 240.416 1.527 20 0 BDADHO COC[C@H](CC(C)C)NCCC(C)(C)[NH3+] ZINC000903939420 584825159 /nfs/dbraw/zinc/82/51/59/584825159.db2.gz GUYHQMLBJSUUHW-NSHDSACASA-N 1 3 216.369 1.765 20 0 BDADHO C1=CCCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000903960012 584827709 /nfs/dbraw/zinc/82/77/09/584827709.db2.gz VATIGBDFWOIZAE-UHFFFAOYSA-N 1 3 206.333 1.827 20 0 BDADHO C1=CCCC(NCC23CC(C2)C[NH2+]3)CC1 ZINC000903960012 584827711 /nfs/dbraw/zinc/82/77/11/584827711.db2.gz VATIGBDFWOIZAE-UHFFFAOYSA-N 1 3 206.333 1.827 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+]CCC(C)(C)N ZINC000903939800 584828920 /nfs/dbraw/zinc/82/89/20/584828920.db2.gz MTTKWSPNQCRGSG-NSHDSACASA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+]C1CCC(NCc2cc(C3CC3)no2)CC1 ZINC000903955031 584832387 /nfs/dbraw/zinc/83/23/87/584832387.db2.gz YPODVKUUSRUIED-UHFFFAOYSA-N 1 3 235.331 1.912 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+][C@@H]2CNC[C@H]2C)CCO1 ZINC000903963715 584833645 /nfs/dbraw/zinc/83/36/45/584833645.db2.gz GQBSOCMSMBEXFO-MROQNXINSA-N 1 3 226.364 1.389 20 0 BDADHO CN(Cc1ccc(Cl)nc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306698 584862116 /nfs/dbraw/zinc/86/21/16/584862116.db2.gz CZUKCSHXIXOQOS-PHIMTYICSA-N 1 3 239.750 1.904 20 0 BDADHO CCOC(=O)CN(CC(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309686 584863082 /nfs/dbraw/zinc/86/30/82/584863082.db2.gz PEHICBISWQSTKH-TXEJJXNPSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC000904321941 584864944 /nfs/dbraw/zinc/86/49/44/584864944.db2.gz KXNCWNHRFDHVNY-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCCNC1 ZINC000904321941 584864946 /nfs/dbraw/zinc/86/49/46/584864946.db2.gz KXNCWNHRFDHVNY-IHRRRGAJSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904331754 584865845 /nfs/dbraw/zinc/86/58/45/584865845.db2.gz LHPOSULYCINRKK-XQQFMLRXSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@H](N)CCC(C)(C)C)C1 ZINC000904331754 584865846 /nfs/dbraw/zinc/86/58/46/584865846.db2.gz LHPOSULYCINRKK-XQQFMLRXSA-N 1 3 242.407 1.843 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904332577 584865857 /nfs/dbraw/zinc/86/58/57/584865857.db2.gz RXDDVOLJUBRIDT-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904332577 584865858 /nfs/dbraw/zinc/86/58/58/584865858.db2.gz RXDDVOLJUBRIDT-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904332577 584865859 /nfs/dbraw/zinc/86/58/59/584865859.db2.gz RXDDVOLJUBRIDT-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904332865 584866222 /nfs/dbraw/zinc/86/62/22/584866222.db2.gz RXDDVOLJUBRIDT-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904332865 584866223 /nfs/dbraw/zinc/86/62/23/584866223.db2.gz RXDDVOLJUBRIDT-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](O)[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904332865 584866224 /nfs/dbraw/zinc/86/62/24/584866224.db2.gz RXDDVOLJUBRIDT-YNEHKIRRSA-N 1 3 226.364 1.079 20 0 BDADHO Cc1ccc(CN(C)C[C@H]2C[C@@H]([NH3+])C2)nc1 ZINC000904341028 584867184 /nfs/dbraw/zinc/86/71/84/584867184.db2.gz IIKCBSDCLKIVPZ-TXEJJXNPSA-N 1 3 219.332 1.559 20 0 BDADHO C[N@H+](CCCCO)C[C@H](N)CCC(C)(C)C ZINC000904341287 584867531 /nfs/dbraw/zinc/86/75/31/584867531.db2.gz MOKNLTNBWOFCML-GFCCVEGCSA-N 1 3 230.396 1.844 20 0 BDADHO C[N@@H+](CCCCO)C[C@H](N)CCC(C)(C)C ZINC000904341287 584867532 /nfs/dbraw/zinc/86/75/32/584867532.db2.gz MOKNLTNBWOFCML-GFCCVEGCSA-N 1 3 230.396 1.844 20 0 BDADHO COC(=O)[C@H](C)N(C[C@H]1C[C@@H]([NH3+])C1)C1CCC1 ZINC000904348774 584868965 /nfs/dbraw/zinc/86/89/65/584868965.db2.gz VEHYLPKVUMIIGO-GARJFASQSA-N 1 3 240.347 1.140 20 0 BDADHO COC(=O)c1ccc(C[NH2+][C@@H](C)CN)cc1C ZINC000904354799 584870860 /nfs/dbraw/zinc/87/08/60/584870860.db2.gz GRRINOTVVGANMB-JTQLQIEISA-N 1 3 236.315 1.218 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](NCc2nccn2C2CC2)C1 ZINC000904355364 584870868 /nfs/dbraw/zinc/87/08/68/584870868.db2.gz QTISNDZILUFHNX-QWRGUYRKSA-N 1 3 234.347 1.435 20 0 BDADHO COC(=O)c1ccc(C[NH2+][C@H](C)CN)cc1C ZINC000904354800 584870880 /nfs/dbraw/zinc/87/08/80/584870880.db2.gz GRRINOTVVGANMB-SNVBAGLBSA-N 1 3 236.315 1.218 20 0 BDADHO Cc1noc(C)c1CNC1CC(C[NH3+])C1 ZINC000904359850 584871646 /nfs/dbraw/zinc/87/16/46/584871646.db2.gz FTBDXTVDKKJYDQ-UHFFFAOYSA-N 1 3 209.293 1.118 20 0 BDADHO C[C@]1(CNCCc2ccccn2)CCC[NH2+]C1 ZINC000904369141 584873135 /nfs/dbraw/zinc/87/31/35/584873135.db2.gz ZFPOFHUFLMHPPH-AWEZNQCLSA-N 1 3 233.359 1.603 20 0 BDADHO C[C@]1(C[NH2+]CCc2ccccn2)CCCNC1 ZINC000904369141 584873136 /nfs/dbraw/zinc/87/31/36/584873136.db2.gz ZFPOFHUFLMHPPH-AWEZNQCLSA-N 1 3 233.359 1.603 20 0 BDADHO [NH3+]CC1CC(NCc2cc(F)ccc2F)C1 ZINC000904363179 584874372 /nfs/dbraw/zinc/87/43/72/584874372.db2.gz XGFHQZQEGLZYLG-UHFFFAOYSA-N 1 3 226.270 1.792 20 0 BDADHO C[C@@H](O)C[N@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000904377059 584876141 /nfs/dbraw/zinc/87/61/41/584876141.db2.gz IRLUNJCKGGVWOV-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](O)C[N@@H+](C[C@]1(C)CCCNC1)C1CC1 ZINC000904377059 584876142 /nfs/dbraw/zinc/87/61/42/584876142.db2.gz IRLUNJCKGGVWOV-DGCLKSJQSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@]1(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCCNC1 ZINC000904385909 584877925 /nfs/dbraw/zinc/87/79/25/584877925.db2.gz JLZBVDZZQZZLTG-CRWXNKLISA-N 1 3 238.375 1.079 20 0 BDADHO C[C@]1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCCNC1 ZINC000904385909 584877926 /nfs/dbraw/zinc/87/79/26/584877926.db2.gz JLZBVDZZQZZLTG-CRWXNKLISA-N 1 3 238.375 1.079 20 0 BDADHO Cc1ncsc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412404 584879769 /nfs/dbraw/zinc/87/97/69/584879769.db2.gz VHSVDSQSNCJDTO-MWLCHTKSSA-N 1 3 239.388 1.868 20 0 BDADHO CC[NH+](CC)CCCN(C)CC1CC(O)C1 ZINC000191895149 584883018 /nfs/dbraw/zinc/88/30/18/584883018.db2.gz NUNRXBYWRCVPKZ-UHFFFAOYSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+](C)CC1CC(O)C1 ZINC000191895149 584883019 /nfs/dbraw/zinc/88/30/19/584883019.db2.gz NUNRXBYWRCVPKZ-UHFFFAOYSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](C)CC1CC(O)C1 ZINC000191895149 584883020 /nfs/dbraw/zinc/88/30/20/584883020.db2.gz NUNRXBYWRCVPKZ-UHFFFAOYSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886841717 585184348 /nfs/dbraw/zinc/18/43/48/585184348.db2.gz TVQMDUWZBKQYKD-XQHKEYJVSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886841717 585184349 /nfs/dbraw/zinc/18/43/49/585184349.db2.gz TVQMDUWZBKQYKD-XQHKEYJVSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1C[C@]12CCOC2 ZINC000886841717 585184350 /nfs/dbraw/zinc/18/43/50/585184350.db2.gz TVQMDUWZBKQYKD-XQHKEYJVSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@H](CC[NH2+][C@@H](C)CCO)N1CCCCC1 ZINC000753767913 585268538 /nfs/dbraw/zinc/26/85/38/585268538.db2.gz GGYIOUJCQMVNIP-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CCN[C@@H](C)CCO)[NH+]1CCCCC1 ZINC000753767913 585268539 /nfs/dbraw/zinc/26/85/39/585268539.db2.gz GGYIOUJCQMVNIP-QWHCGFSZSA-N 1 3 228.380 1.611 20 0 BDADHO C(C[NH+]1CCCC1)N1CCN(C2CCC2)CC1 ZINC000760839571 585398584 /nfs/dbraw/zinc/39/85/84/585398584.db2.gz DTXNNMJRGGSNGN-UHFFFAOYSA-N 1 3 237.391 1.252 20 0 BDADHO C[C@H]1CN(CC[C@H]2CCCC[N@@H+]2C)CCN1C ZINC000761079508 585406576 /nfs/dbraw/zinc/40/65/76/585406576.db2.gz ZXMDERBLMWPIFG-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H]1CN(CC[C@H]2CCCC[N@H+]2C)CCN1C ZINC000761079508 585406577 /nfs/dbraw/zinc/40/65/77/585406577.db2.gz ZXMDERBLMWPIFG-UONOGXRCSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H]1CCCN1CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000766271871 585500283 /nfs/dbraw/zinc/50/02/83/585500283.db2.gz GTDXRIDGWBNNEH-BFHYXJOUSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](CCO)[NH2+]CCCN1CCCC[C@@H]1C ZINC000779384792 585752693 /nfs/dbraw/zinc/75/26/93/585752693.db2.gz OBIVGNZGDQXWNW-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CCO)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000779384792 585752694 /nfs/dbraw/zinc/75/26/94/585752694.db2.gz OBIVGNZGDQXWNW-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CCO)NCCC[N@H+]1CCCC[C@@H]1C ZINC000779384792 585752695 /nfs/dbraw/zinc/75/26/95/585752695.db2.gz OBIVGNZGDQXWNW-OLZOCXBDSA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H]1CC[C@H]1[NH2+]CCCCN1CCN(C)CC1 ZINC000783221779 585831198 /nfs/dbraw/zinc/83/11/98/585831198.db2.gz HXJDAUXMYGLOHJ-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO C[NH+]1CCC2(CCCN(Cc3cn[nH]c3)C2)CC1 ZINC000798956747 586154074 /nfs/dbraw/zinc/15/40/74/586154074.db2.gz MJBBVOUCRDJULS-UHFFFAOYSA-N 1 3 248.374 1.718 20 0 BDADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325731 586600233 /nfs/dbraw/zinc/60/02/33/586600233.db2.gz JSQOUWZVMVPRBV-RYUDHWBXSA-N 1 3 249.358 1.780 20 0 BDADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cc[nH]c(=O)c1 ZINC000813325731 586600234 /nfs/dbraw/zinc/60/02/34/586600234.db2.gz JSQOUWZVMVPRBV-RYUDHWBXSA-N 1 3 249.358 1.780 20 0 BDADHO CC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815143317 586669356 /nfs/dbraw/zinc/66/93/56/586669356.db2.gz HFDQNMAJQJCJLB-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815143317 586669358 /nfs/dbraw/zinc/66/93/58/586669358.db2.gz HFDQNMAJQJCJLB-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1cccnc1 ZINC000817892246 586833186 /nfs/dbraw/zinc/83/31/86/586833186.db2.gz LRECDKHXWIZDHY-DGCLKSJQSA-N 1 3 235.331 1.177 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1cccnc1 ZINC000817893305 586833564 /nfs/dbraw/zinc/83/35/64/586833564.db2.gz QZUFORTWCCKWSJ-OCCSQVGLSA-N 1 3 249.358 1.438 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000817906033 586837361 /nfs/dbraw/zinc/83/73/61/586837361.db2.gz SFEIRYYYQINATM-DCAQKATOSA-N 1 3 202.342 1.109 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1N)c1ccsc1 ZINC000817911507 586838648 /nfs/dbraw/zinc/83/86/48/586838648.db2.gz BSZYAMGKZCWWHT-WOPDTQHZSA-N 1 3 240.372 1.425 20 0 BDADHO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000817926372 586840871 /nfs/dbraw/zinc/84/08/71/586840871.db2.gz HOUIESMCOILDPX-MCIONIFRSA-N 1 3 234.343 1.498 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000817926494 586840878 /nfs/dbraw/zinc/84/08/78/586840878.db2.gz KHCJXEGVNGCJLB-KFWWJZLASA-N 1 3 248.370 1.745 20 0 BDADHO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000817926373 586841267 /nfs/dbraw/zinc/84/12/67/586841267.db2.gz HOUIESMCOILDPX-MJBXVCDLSA-N 1 3 234.343 1.498 20 0 BDADHO C1CC1[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000817928618 586842651 /nfs/dbraw/zinc/84/26/51/586842651.db2.gz ZEROTPHYRUURRK-AGIUHOORSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000817962484 586853053 /nfs/dbraw/zinc/85/30/53/586853053.db2.gz MZNCAFZJRURVSV-GHMZBOCLSA-N 1 3 234.343 1.867 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818984901 586920182 /nfs/dbraw/zinc/92/01/82/586920182.db2.gz MUABTTZSSVDASO-GXTWGEPZSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC000818984901 586920184 /nfs/dbraw/zinc/92/01/84/586920184.db2.gz MUABTTZSSVDASO-GXTWGEPZSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC000818984901 586920186 /nfs/dbraw/zinc/92/01/86/586920186.db2.gz MUABTTZSSVDASO-GXTWGEPZSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@H](CCNC[C@H](O)C1CC1)[NH+]1CCCCC1 ZINC000819231513 586941041 /nfs/dbraw/zinc/94/10/41/586941041.db2.gz XNUZXQUTSVUHQD-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H](CC[NH2+]C[C@H](O)C1CC1)N1CCCCC1 ZINC000819231513 586941042 /nfs/dbraw/zinc/94/10/42/586941042.db2.gz XNUZXQUTSVUHQD-OCCSQVGLSA-N 1 3 240.391 1.611 20 0 BDADHO NCc1cccc(C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000834582608 587760025 /nfs/dbraw/zinc/76/00/25/587760025.db2.gz WFVXRTZNEKSKJN-CYBMUJFWSA-N 1 3 247.342 1.017 20 0 BDADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN)c2)CC[NH2+]1 ZINC000834673654 587763656 /nfs/dbraw/zinc/76/36/56/587763656.db2.gz TVBNOFYXGIFXCA-GXFFZTMASA-N 1 3 247.342 1.016 20 0 BDADHO C([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCCOC1 ZINC000841089272 587945483 /nfs/dbraw/zinc/94/54/83/587945483.db2.gz KPKRPTQIWAVILI-CHWSQXEVSA-N 1 3 238.375 1.677 20 0 BDADHO C[C@@H]1CN(C(=O)CCCCCC[NH3+])[C@@H](C)CN1 ZINC000841849196 587977881 /nfs/dbraw/zinc/97/78/81/587977881.db2.gz BDYJILINOPUBTP-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO OCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842475345 588028602 /nfs/dbraw/zinc/02/86/02/588028602.db2.gz PKEUGXPHIHRQKV-CQSZACIVSA-N 1 3 240.391 1.615 20 0 BDADHO C[C@@H]1CCN[C@@H](C(=O)NCCCCCC[NH3+])C1 ZINC000843512347 588117887 /nfs/dbraw/zinc/11/78/87/588117887.db2.gz ZFSYNXIZHRMKGS-VXGBXAGGSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@](O)(CN[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000848719481 588408523 /nfs/dbraw/zinc/40/85/23/588408523.db2.gz GRLYRACWLDKKOF-ILXRZTDVSA-N 1 3 248.370 1.754 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000848987177 588426169 /nfs/dbraw/zinc/42/61/69/588426169.db2.gz LIVFUOJJZPJNQD-WDEREUQCSA-N 1 3 226.368 1.241 20 0 BDADHO C[C@@H]1CCN(CCNC(=[NH2+])NC2CCCC2)C1 ZINC000849004390 588431801 /nfs/dbraw/zinc/43/18/01/588431801.db2.gz OPBBWVSETMWOOO-LLVKDONJSA-N 1 3 238.379 1.385 20 0 BDADHO C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)CN(C)C ZINC000849030294 588442183 /nfs/dbraw/zinc/44/21/83/588442183.db2.gz JBZKTEARZCNZAX-LBPRGKRZSA-N 1 3 240.395 1.440 20 0 BDADHO CC[C@H](CNC1=[NH+]CCCCN1)N1CCCC1 ZINC000849215549 588462272 /nfs/dbraw/zinc/46/22/72/588462272.db2.gz PYSVXUJJMMMKJZ-GFCCVEGCSA-N 1 3 238.379 1.190 20 0 BDADHO CO[C@@H]1CC[C@@H](N(C)CCC[NH+]2CCCC2)C1 ZINC000852009088 588654553 /nfs/dbraw/zinc/65/45/53/588654553.db2.gz YCVPPNRWMYRLAV-ZIAGYGMSSA-N 1 3 240.391 1.972 20 0 BDADHO CCc1nocc1CN(C)C1CCC([NH3+])CC1 ZINC000852741264 588698345 /nfs/dbraw/zinc/69/83/45/588698345.db2.gz PIEJHPWJFWLBED-UHFFFAOYSA-N 1 3 237.347 1.939 20 0 BDADHO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCNC12CCC2 ZINC000863483216 589292650 /nfs/dbraw/zinc/29/26/50/589292650.db2.gz RRACLEQDUGDOLB-AGIUHOORSA-N 1 3 238.375 1.676 20 0 BDADHO CC[C@@H]1CCN(C(=[NH2+])NCCNC(C)(C)C)C1 ZINC000864457708 589367717 /nfs/dbraw/zinc/36/77/17/589367717.db2.gz GQFMXCCLRJMYGW-LLVKDONJSA-N 1 3 240.395 1.631 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@H]1CCCN(C)C1 ZINC000864459069 589368314 /nfs/dbraw/zinc/36/83/14/589368314.db2.gz ZSOSUDIXFBNXKM-LLVKDONJSA-N 1 3 240.395 1.631 20 0 BDADHO C[C@@H](CNC(=[NH2+])NCCC1CC1)CN(C)C ZINC000864465730 589371027 /nfs/dbraw/zinc/37/10/27/589371027.db2.gz BNKQHNWPEBPWND-JTQLQIEISA-N 1 3 226.368 1.098 20 0 BDADHO CCC(CC)NC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000864466341 589371478 /nfs/dbraw/zinc/37/14/78/589371478.db2.gz HZZMUNNJWKYLGZ-SNVBAGLBSA-N 1 3 228.384 1.487 20 0 BDADHO COCC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705033 589514387 /nfs/dbraw/zinc/51/43/87/589514387.db2.gz RWYLRAZPMIOOJU-LBPRGKRZSA-N 1 3 214.353 1.330 20 0 BDADHO COCC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866705033 589514388 /nfs/dbraw/zinc/51/43/88/589514388.db2.gz RWYLRAZPMIOOJU-LBPRGKRZSA-N 1 3 214.353 1.330 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988211 589706644 /nfs/dbraw/zinc/70/66/44/589706644.db2.gz JAIWMJXNUQNTSW-GXFFZTMASA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@](C[NH3+])(NC[C@@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141251 589881737 /nfs/dbraw/zinc/88/17/37/589881737.db2.gz AKPJMXDPQQHBHX-STQMWFEESA-N 1 3 238.375 1.663 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@@H]2CC3(CCC3)CO2)C1 ZINC000872141797 589882421 /nfs/dbraw/zinc/88/24/21/589882421.db2.gz TYXHQJXPBWBLBX-NEPJUHHUSA-N 1 3 224.348 1.226 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCOC2)C1 ZINC000872250917 589900345 /nfs/dbraw/zinc/90/03/45/589900345.db2.gz DTBMGGZYWORNNG-VXGBXAGGSA-N 1 3 226.364 1.533 20 0 BDADHO CN(CCNc1cc[nH+]cc1C1CC1)C1CC1 ZINC000872421608 589938562 /nfs/dbraw/zinc/93/85/62/589938562.db2.gz QEQODHWWSCPZIU-UHFFFAOYSA-N 1 3 231.343 1.887 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000873215246 589997984 /nfs/dbraw/zinc/99/79/84/589997984.db2.gz BOSXQUGZEJGJKO-AAVRWANBSA-N 1 3 240.391 1.718 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2C[C@@H](CN)[C@H](C)C2)CCO1 ZINC000873215246 589997985 /nfs/dbraw/zinc/99/79/85/589997985.db2.gz BOSXQUGZEJGJKO-AAVRWANBSA-N 1 3 240.391 1.718 20 0 BDADHO COCCC1([NH2+]CC(C)C)CCNCC1 ZINC000873224763 590000520 /nfs/dbraw/zinc/00/05/20/590000520.db2.gz KPECMKZBQFZHKE-UHFFFAOYSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H](CCCCO)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234028 590003457 /nfs/dbraw/zinc/00/34/57/590003457.db2.gz BFYLAGHYTPBCHU-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCC[C@@H]1F ZINC000873239062 590006044 /nfs/dbraw/zinc/00/60/44/590006044.db2.gz MZQOGNPKKOLENL-ZRUFSTJUSA-N 1 3 202.317 1.983 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1CCCC[C@@H]1F ZINC000873239060 590006091 /nfs/dbraw/zinc/00/60/91/590006091.db2.gz MZQOGNPKKOLENL-VPOLOUISSA-N 1 3 202.317 1.983 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000873244631 590006809 /nfs/dbraw/zinc/00/68/09/590006809.db2.gz TZTFPWDRNCXYJU-DCAQKATOSA-N 1 3 216.394 1.988 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)C1CNC1 ZINC000873249830 590007622 /nfs/dbraw/zinc/00/76/22/590007622.db2.gz CPWCZRMYMDOIPX-WCQYABFASA-N 1 3 238.375 1.391 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)C1CNC1 ZINC000873251131 590008060 /nfs/dbraw/zinc/00/80/60/590008060.db2.gz JIBCQHTYSVTALF-OSMZGAPFSA-N 1 3 238.375 1.247 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC(C)(C)CO1 ZINC000873282957 590019797 /nfs/dbraw/zinc/01/97/97/590019797.db2.gz XQPHJPDBIRYQMD-GARJFASQSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000877095717 590281919 /nfs/dbraw/zinc/28/19/19/590281919.db2.gz PKCBOPOKLKISIC-GVXVVHGQSA-N 1 3 249.358 1.128 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877740197 590406558 /nfs/dbraw/zinc/40/65/58/590406558.db2.gz IZNRYHIWUBCHTL-QWHCGFSZSA-N 1 3 240.391 1.685 20 0 BDADHO COCC(C)(C)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877740197 590406560 /nfs/dbraw/zinc/40/65/60/590406560.db2.gz IZNRYHIWUBCHTL-QWHCGFSZSA-N 1 3 240.391 1.685 20 0 BDADHO CC[C@](C)(CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1)OC ZINC000877743481 590410745 /nfs/dbraw/zinc/41/07/45/590410745.db2.gz WGQPEGDZYBIFOT-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@](C)(CN1CC[C@H]2[C@H](CC[N@H+]2C)C1)OC ZINC000877743481 590410746 /nfs/dbraw/zinc/41/07/46/590410746.db2.gz WGQPEGDZYBIFOT-HZSPNIEDSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21 ZINC000879573755 590811726 /nfs/dbraw/zinc/81/17/26/590811726.db2.gz QWJXWJANJWPUAJ-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC000879573755 590811728 /nfs/dbraw/zinc/81/17/28/590811728.db2.gz QWJXWJANJWPUAJ-CHWSQXEVSA-N 1 3 208.349 1.813 20 0 BDADHO CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879578616 590819034 /nfs/dbraw/zinc/81/90/34/590819034.db2.gz FZHFTUVJLJFSLP-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879578616 590819037 /nfs/dbraw/zinc/81/90/37/590819037.db2.gz FZHFTUVJLJFSLP-AGIUHOORSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258564 590979187 /nfs/dbraw/zinc/97/91/87/590979187.db2.gz IPYXCKLOTCUJME-GXTWGEPZSA-N 1 3 249.358 1.363 20 0 BDADHO COC[C@@H](C)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259711 590980590 /nfs/dbraw/zinc/98/05/90/590980590.db2.gz ZNZWPALFQOLHSA-QWHCGFSZSA-N 1 3 249.358 1.627 20 0 BDADHO CC1(N2CCC2)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000880469967 591051576 /nfs/dbraw/zinc/05/15/76/591051576.db2.gz FOSUTQNKDZBAJE-CYBMUJFWSA-N 1 3 238.375 1.726 20 0 BDADHO CN(C/C=C\Cl)C1CCC([NH3+])CC1 ZINC000211492838 591177747 /nfs/dbraw/zinc/17/77/47/591177747.db2.gz RAUNPALCOBHGGX-UQCOIBPSSA-N 1 3 202.729 1.941 20 0 BDADHO C[NH2+]CCCN1CCN(c2ccncc2)[C@H](C)C1 ZINC000883447820 591670740 /nfs/dbraw/zinc/67/07/40/591670740.db2.gz MRSMENSNZJNAEN-CYBMUJFWSA-N 1 3 248.374 1.202 20 0 BDADHO CC1(C)[C@H](NC(=O)c2cccc(CN)c2)C[C@@H]1[NH3+] ZINC000884358634 591912586 /nfs/dbraw/zinc/91/25/86/591912586.db2.gz USLIKIQOBWPGIU-NWDGAFQWSA-N 1 3 247.342 1.001 20 0 BDADHO CCC1(N2CCC2)CC[NH+](CCCCO)CC1 ZINC000886711027 592309280 /nfs/dbraw/zinc/30/92/80/592309280.db2.gz LQYVYPYAZQMGEV-UHFFFAOYSA-N 1 3 240.391 1.709 20 0 BDADHO CCC1(N2CCC2)CC[NH+](CC[C@@H](C)O)CC1 ZINC000886717581 592310835 /nfs/dbraw/zinc/31/08/35/592310835.db2.gz CTDJVXRFUSZGAB-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886839842 592360506 /nfs/dbraw/zinc/36/05/06/592360506.db2.gz NGVKUTUNNVNHHS-MBNYWOFBSA-N 1 3 238.375 1.391 20 0 BDADHO COCCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873956 592377159 /nfs/dbraw/zinc/37/71/59/592377159.db2.gz CIWXNGBSQKRUSP-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO Cn1nccc1CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300064745 592502622 /nfs/dbraw/zinc/50/26/22/592502622.db2.gz MMPSGKNJRDOAKP-JSGCOSHPSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1nccc1CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300064745 592502624 /nfs/dbraw/zinc/50/26/24/592502624.db2.gz MMPSGKNJRDOAKP-JSGCOSHPSA-N 1 3 248.374 1.179 20 0 BDADHO C[C@H](COCC1CC1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925703350 634379086 /nfs/dbraw/zinc/37/90/86/634379086.db2.gz TWKQQWLZSNJJOB-WXHSDQCUSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](COCC1CC1)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925703350 634379092 /nfs/dbraw/zinc/37/90/92/634379092.db2.gz TWKQQWLZSNJJOB-WXHSDQCUSA-N 1 3 238.375 1.661 20 0 BDADHO CCCN1CC[C@@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925708246 634399251 /nfs/dbraw/zinc/39/92/51/634399251.db2.gz REBWWOABXNGTOX-VXGBXAGGSA-N 1 3 225.380 1.201 20 0 BDADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NCc1ncccn1 ZINC000925711663 634412593 /nfs/dbraw/zinc/41/25/93/634412593.db2.gz ZLVAGDJDQCREAE-KCXRBIIJSA-N 1 3 246.358 1.472 20 0 BDADHO Cc1cn(C)nc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000257700074 634473752 /nfs/dbraw/zinc/47/37/52/634473752.db2.gz PVUISJLYDHXNDF-UHFFFAOYSA-N 1 3 248.374 1.304 20 0 BDADHO Cc1[nH]ncc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000257723640 634481609 /nfs/dbraw/zinc/48/16/09/634481609.db2.gz VZHLPYUWPUBMDA-GFCCVEGCSA-N 1 3 220.320 1.046 20 0 BDADHO C[NH2+]CCCN1CCN(C)C[C@@H]1CC(C)C ZINC000257771706 634496871 /nfs/dbraw/zinc/49/68/71/634496871.db2.gz DAOVUABLGMWXHZ-ZDUSSCGKSA-N 1 3 227.396 1.258 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000925730172 634554650 /nfs/dbraw/zinc/55/46/50/634554650.db2.gz OHDCFJGXWJJSQU-KVSVUVNWSA-N 1 3 238.375 1.124 20 0 BDADHO COc1ccc(C[NH2+]CC2(N)CC2)cc1Cl ZINC000259079654 635241487 /nfs/dbraw/zinc/24/14/87/635241487.db2.gz MOKSNBXXDHQPGT-UHFFFAOYSA-N 1 3 240.734 1.930 20 0 BDADHO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)n1 ZINC000107830175 635486755 /nfs/dbraw/zinc/48/67/55/635486755.db2.gz CZBHGXOQQSNSSI-WDEREUQCSA-N 1 3 247.346 1.406 20 0 BDADHO Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)n1 ZINC000107830175 635486762 /nfs/dbraw/zinc/48/67/62/635486762.db2.gz CZBHGXOQQSNSSI-WDEREUQCSA-N 1 3 247.346 1.406 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCCCO ZINC000236200944 635597143 /nfs/dbraw/zinc/59/71/43/635597143.db2.gz HJZAQTYHJLTYEH-OLZOCXBDSA-N 1 3 228.380 1.646 20 0 BDADHO Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2N)nc1 ZINC000925878218 635606352 /nfs/dbraw/zinc/60/63/52/635606352.db2.gz RRZUJOJEOFKCNG-VXGBXAGGSA-N 1 3 234.347 1.271 20 0 BDADHO [NH3+]CCCNC[C@H](O)c1ccc2ccccc2c1 ZINC000051356165 631567630 /nfs/dbraw/zinc/56/76/30/631567630.db2.gz AXEZEKUEJFOZMO-HNNXBMFYSA-N 1 3 244.338 1.812 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251784757 631681544 /nfs/dbraw/zinc/68/15/44/631681544.db2.gz UHOFJGCSUPNFGM-AGIUHOORSA-N 1 3 236.363 1.379 20 0 BDADHO CSCC[C@@H](C)N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000235041477 631864338 /nfs/dbraw/zinc/86/43/38/631864338.db2.gz OHKDYJMHJDDJHS-UTUOFQBUSA-N 1 3 230.421 1.915 20 0 BDADHO [NH2+]=C(NCCN1CCCCCC1)NC1CC1 ZINC000052043201 632053750 /nfs/dbraw/zinc/05/37/50/632053750.db2.gz NEORLSGWYWGTQT-UHFFFAOYSA-N 1 3 224.352 1.139 20 0 BDADHO C1C[NH2+][C@@H]([C@@H]2CCC[C@H]2N[C@@H]2CCCOC2)C1 ZINC000250672286 632544729 /nfs/dbraw/zinc/54/47/29/632544729.db2.gz VLLHPIXBQIXUPB-XJFOESAGSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](N(C)C[C@@H](O)C[NH+]1CCCC1)C1(C)CC1 ZINC000309983080 632690095 /nfs/dbraw/zinc/69/00/95/632690095.db2.gz GJRNJCBDBJNOBE-QWHCGFSZSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@H+](CCCN1CCCC1)C[C@H](O)C1CC1 ZINC000162562274 633031034 /nfs/dbraw/zinc/03/10/34/633031034.db2.gz DKFFJNFBVDZLFS-ZDUSSCGKSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+](CCCN1CCCC1)C[C@H](O)C1CC1 ZINC000162562274 633031039 /nfs/dbraw/zinc/03/10/39/633031039.db2.gz DKFFJNFBVDZLFS-ZDUSSCGKSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(c2ccncc2CO)C1 ZINC000892730803 633204973 /nfs/dbraw/zinc/20/49/73/633204973.db2.gz KKIYIHBAAXWVFZ-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(c2ccncc2CO)C1 ZINC000892730803 633204980 /nfs/dbraw/zinc/20/49/80/633204980.db2.gz KKIYIHBAAXWVFZ-LBPRGKRZSA-N 1 3 249.358 1.352 20 0 BDADHO CCN1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925509918 633848980 /nfs/dbraw/zinc/84/89/80/633848980.db2.gz PVMWKUDOETYUTQ-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO CCN1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925509919 633849278 /nfs/dbraw/zinc/84/92/78/633849278.db2.gz PVMWKUDOETYUTQ-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000053196307 634069805 /nfs/dbraw/zinc/06/98/05/634069805.db2.gz VFEJOARJEMMJPT-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000053196307 634069812 /nfs/dbraw/zinc/06/98/12/634069812.db2.gz VFEJOARJEMMJPT-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925642177 634190259 /nfs/dbraw/zinc/19/02/59/634190259.db2.gz ROGXIURUVWFVEK-YYAQPZEXSA-N 1 3 224.348 1.173 20 0 BDADHO C/C=C\C[C@H](CO)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925642177 634190261 /nfs/dbraw/zinc/19/02/61/634190261.db2.gz ROGXIURUVWFVEK-YYAQPZEXSA-N 1 3 224.348 1.173 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925645210 634197821 /nfs/dbraw/zinc/19/78/21/634197821.db2.gz OSFXFJSYYKNPEP-MRVWCRGKSA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@H](C)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925645210 634197824 /nfs/dbraw/zinc/19/78/24/634197824.db2.gz OSFXFJSYYKNPEP-MRVWCRGKSA-N 1 3 240.391 1.779 20 0 BDADHO Cc1nccnc1CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925677724 634272631 /nfs/dbraw/zinc/27/26/31/634272631.db2.gz ZLPJSRAKIFABRM-STQMWFEESA-N 1 3 246.358 1.187 20 0 BDADHO COCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000925688104 634305392 /nfs/dbraw/zinc/30/53/92/634305392.db2.gz BOGFDOQPZZXFSD-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO CC1(C)C[C@@H](N[C@H]2C[C@@H](O)C2)C[C@@H]([NH3+])C1 ZINC000925695461 634348322 /nfs/dbraw/zinc/34/83/22/634348322.db2.gz XASBXICYWZDQEM-ZNSHCXBVSA-N 1 3 212.337 1.005 20 0 BDADHO C[C@H](NCC1(C)CC[NH2+]CC1)c1ncc[nH]1 ZINC000925697320 634359807 /nfs/dbraw/zinc/35/98/07/634359807.db2.gz DLOQYPZZOAMUJJ-JTQLQIEISA-N 1 3 222.336 1.450 20 0 BDADHO C[C@@H]1C[C@@H](NCC[C@@H]2C[NH2+]C[C@H]2C)c2nccn21 ZINC000925801581 635349041 /nfs/dbraw/zinc/34/90/41/635349041.db2.gz BLPXMPBCCBVOKP-FDYHWXHSSA-N 1 3 248.374 1.724 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1CCn2ccnc21 ZINC000925802031 635350080 /nfs/dbraw/zinc/35/00/80/635350080.db2.gz CRAVEWZPMGRFKW-UTUOFQBUSA-N 1 3 234.347 1.163 20 0 BDADHO C[N@H+](CC1CCOCC1)C[C@]1(C)CCCNC1 ZINC000111179326 636966335 /nfs/dbraw/zinc/96/63/35/636966335.db2.gz RKYDDMJUJUNAGY-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO C[N@@H+](CC1CCOCC1)C[C@]1(C)CCCNC1 ZINC000111179326 636966340 /nfs/dbraw/zinc/96/63/40/636966340.db2.gz RKYDDMJUJUNAGY-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C1CC1 ZINC000903412041 637359600 /nfs/dbraw/zinc/35/96/00/637359600.db2.gz RXGGECQKXSFZCD-RBKKPWLPSA-N 1 3 238.375 1.077 20 0 BDADHO [NH3+]C1CCC([NH2+]Cc2cncc([O-])c2)CC1 ZINC000904432837 637400325 /nfs/dbraw/zinc/40/03/25/637400325.db2.gz HNFSDXBNAJBJCT-UHFFFAOYSA-N 1 3 221.304 1.147 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@H]2CNCC2(C)C)CCO1 ZINC000904461276 637404750 /nfs/dbraw/zinc/40/47/50/637404750.db2.gz GXTNVEQTAQBBFQ-XQQFMLRXSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CNCC2(C)C)CCO1 ZINC000904461277 637405172 /nfs/dbraw/zinc/40/51/72/637405172.db2.gz GXTNVEQTAQBBFQ-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO COC(=O)c1ccc(C[NH2+]CC2(N)CC2)cc1 ZINC000904449037 637415127 /nfs/dbraw/zinc/41/51/27/637415127.db2.gz DOKRAGQWHUNVRH-UHFFFAOYSA-N 1 3 234.299 1.054 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C2CC(N)C2)CCO1 ZINC000906510128 638183714 /nfs/dbraw/zinc/18/37/14/638183714.db2.gz NDEVMAFQERYNKY-WNYYMSAVSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H](C[NH2+]C1CC(N)C1)Cc1ccccc1 ZINC000906510954 638184151 /nfs/dbraw/zinc/18/41/51/638184151.db2.gz OBXUYIBPPCCRHG-LMWSTFAQSA-N 1 3 218.344 1.945 20 0 BDADHO C[C@@H](CNC1CC([NH3+])C1)Cc1ccccc1 ZINC000906510954 638184153 /nfs/dbraw/zinc/18/41/53/638184153.db2.gz OBXUYIBPPCCRHG-LMWSTFAQSA-N 1 3 218.344 1.945 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712743 639739621 /nfs/dbraw/zinc/73/96/21/639739621.db2.gz DCAWRLADWIGDDR-TUAOUCFPSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000911764470 639791769 /nfs/dbraw/zinc/79/17/69/639791769.db2.gz TWNRTKMVXWHCPA-RYUDHWBXSA-N 1 3 243.395 1.254 20 0 BDADHO Cc1nccn1CC[N@H+]1CC[C@@H](N(C)C)[C@H]1C ZINC000931038483 640033018 /nfs/dbraw/zinc/03/30/18/640033018.db2.gz RPAJRLHOEDIIQD-DGCLKSJQSA-N 1 3 236.363 1.216 20 0 BDADHO Cc1nccn1CC[N@@H+]1CC[C@@H](N(C)C)[C@H]1C ZINC000931038483 640033021 /nfs/dbraw/zinc/03/30/21/640033021.db2.gz RPAJRLHOEDIIQD-DGCLKSJQSA-N 1 3 236.363 1.216 20 0 BDADHO C[C@H]1OCC[C@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931355988 640169473 /nfs/dbraw/zinc/16/94/73/640169473.db2.gz XMAWTLURBTUZGW-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H]1OCC[C@H]1CN1CCC(C)([NH+](C)C)CC1 ZINC000931355988 640169481 /nfs/dbraw/zinc/16/94/81/640169481.db2.gz XMAWTLURBTUZGW-OLZOCXBDSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440354 640206437 /nfs/dbraw/zinc/20/64/37/640206437.db2.gz WPVPKGKOUCYNEW-RDBSUJKOSA-N 1 3 220.360 1.979 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440354 640206443 /nfs/dbraw/zinc/20/64/43/640206443.db2.gz WPVPKGKOUCYNEW-RDBSUJKOSA-N 1 3 220.360 1.979 20 0 BDADHO CCN(CCC[NH+](C)C)c1cc(C)nc(N)n1 ZINC000230743978 641091637 /nfs/dbraw/zinc/09/16/37/641091637.db2.gz MGTVGJADFQEXDW-UHFFFAOYSA-N 1 3 237.351 1.145 20 0 BDADHO C[C@]1(CN2CCCSCC2)CCC[NH2+]C1 ZINC000062862413 641100722 /nfs/dbraw/zinc/10/07/22/641100722.db2.gz BPSLBDLQICEJLG-LBPRGKRZSA-N 1 3 228.405 1.815 20 0 BDADHO CN1CCC[C@H](C[NH2+]Cc2ccoc2)C1 ZINC000063047461 641121802 /nfs/dbraw/zinc/12/18/02/641121802.db2.gz JVLQRCFROWJGAL-LLVKDONJSA-N 1 3 208.305 1.711 20 0 BDADHO C([C@@H]1CCOC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257687938 642499318 /nfs/dbraw/zinc/49/93/18/642499318.db2.gz MSEHDPXMNMKDSJ-QWHCGFSZSA-N 1 3 224.348 1.241 20 0 BDADHO C([C@@H]1CCOC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257687938 642499325 /nfs/dbraw/zinc/49/93/25/642499325.db2.gz MSEHDPXMNMKDSJ-QWHCGFSZSA-N 1 3 224.348 1.241 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]C2CCNCC2)C1(C)C ZINC000233762433 642691365 /nfs/dbraw/zinc/69/13/65/642691365.db2.gz DCYAHDZGSJRFIQ-RYUDHWBXSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)S[C@@H](C)C1 ZINC000069910130 642932673 /nfs/dbraw/zinc/93/26/73/642932673.db2.gz HZLSABUIZNZRBW-WYUUTHIRSA-N 1 3 228.405 1.668 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCCCCCO)C1 ZINC000175778448 643295640 /nfs/dbraw/zinc/29/56/40/643295640.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000175778448 643295642 /nfs/dbraw/zinc/29/56/42/643295642.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCCCCCO)C1 ZINC000175778448 643295647 /nfs/dbraw/zinc/29/56/47/643295647.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCCCCCO)C1 ZINC000175778448 643295651 /nfs/dbraw/zinc/29/56/51/643295651.db2.gz XJFACZQKOALODH-CQSZACIVSA-N 1 3 242.407 1.813 20 0 BDADHO C[C@@H](CNCc1cc[nH]c(=O)c1)C[NH+]1CCCC1 ZINC000921551283 643603356 /nfs/dbraw/zinc/60/33/56/643603356.db2.gz BYXVBVKTQJRXDS-LBPRGKRZSA-N 1 3 249.358 1.609 20 0 BDADHO C[C@H](N[C@H]1CCC[C@@H]1C[NH3+])c1cccnc1 ZINC000084218082 643651854 /nfs/dbraw/zinc/65/18/54/643651854.db2.gz YQIUCTPMCLRTPT-LOWVWBTDSA-N 1 3 219.332 1.860 20 0 BDADHO CCc1onc(C)c1CN1CCC(C[NH3+])CC1 ZINC000923277101 644309872 /nfs/dbraw/zinc/30/98/72/644309872.db2.gz JCQRQPJCSOJVEF-UHFFFAOYSA-N 1 3 237.347 1.716 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923280906 644313465 /nfs/dbraw/zinc/31/34/65/644313465.db2.gz JTCQATBAZRIOBN-RYUDHWBXSA-N 1 3 214.353 1.064 20 0 BDADHO C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000923291431 644317154 /nfs/dbraw/zinc/31/71/54/644317154.db2.gz SGYSPEZMXQWBAF-SNPRPXQTSA-N 1 3 248.370 1.259 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923287395 644320525 /nfs/dbraw/zinc/32/05/25/644320525.db2.gz DROOUVPBZRZJJV-RWMBFGLXSA-N 1 3 228.380 1.453 20 0 BDADHO NC1(C[NH2+]C[C@@H]2COc3ccccc3O2)CCC1 ZINC000923330936 644350332 /nfs/dbraw/zinc/35/03/32/644350332.db2.gz DHRZJSLADZXGGV-LLVKDONJSA-N 1 3 248.326 1.297 20 0 BDADHO CCN(C[C@H](O)CSC)[C@H]1CCC[NH2+]CC1 ZINC000923336141 644357049 /nfs/dbraw/zinc/35/70/49/644357049.db2.gz QMCKFQBAJLFPQI-RYUDHWBXSA-N 1 3 246.420 1.174 20 0 BDADHO C[C@H](NC(CN)C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000923351874 644370426 /nfs/dbraw/zinc/37/04/26/644370426.db2.gz PGVOPEOLBUZGKA-NSHDSACASA-N 1 3 249.402 1.921 20 0 BDADHO CC(C)OCC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923366935 644378762 /nfs/dbraw/zinc/37/87/62/644378762.db2.gz BFRRMDBCVXHIHY-RYUDHWBXSA-N 1 3 246.395 1.125 20 0 BDADHO CC(C)CC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923369682 644381626 /nfs/dbraw/zinc/38/16/26/644381626.db2.gz LGILNBPWNMXHFB-RYUDHWBXSA-N 1 3 230.396 1.747 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H](O)CC1CCCC1 ZINC000923370717 644381704 /nfs/dbraw/zinc/38/17/04/644381704.db2.gz QJWFYNSOLVJKJP-QWHCGFSZSA-N 1 3 242.407 1.891 20 0 BDADHO CC(C)CC[C@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923368346 644382045 /nfs/dbraw/zinc/38/20/45/644382045.db2.gz AWJKUZHNOYPQIG-STQMWFEESA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)CC[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923368346 644382052 /nfs/dbraw/zinc/38/20/52/644382052.db2.gz AWJKUZHNOYPQIG-STQMWFEESA-N 1 3 242.407 1.761 20 0 BDADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H](O)CC1CCCC1 ZINC000923380651 644393906 /nfs/dbraw/zinc/39/39/06/644393906.db2.gz APJHNWDQPSKKSM-MGPQQGTHSA-N 1 3 240.391 1.787 20 0 BDADHO CN1CCN(CCC[NH2+]C2CC2)C(C)(C)C1 ZINC000923399979 644406734 /nfs/dbraw/zinc/40/67/34/644406734.db2.gz VLPAEIGVKPTASO-UHFFFAOYSA-N 1 3 225.380 1.155 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000923422884 644418531 /nfs/dbraw/zinc/41/85/31/644418531.db2.gz URXRBSIDSBZJCY-XQQFMLRXSA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)CC1CCCC1 ZINC000923422884 644418538 /nfs/dbraw/zinc/41/85/38/644418538.db2.gz URXRBSIDSBZJCY-XQQFMLRXSA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1N ZINC000923431865 644424816 /nfs/dbraw/zinc/42/48/16/644424816.db2.gz YAPMXWJSJTYUTC-KBPBESRZSA-N 1 3 248.370 1.259 20 0 BDADHO CC1(C)C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1N ZINC000923431865 644424821 /nfs/dbraw/zinc/42/48/21/644424821.db2.gz YAPMXWJSJTYUTC-KBPBESRZSA-N 1 3 248.370 1.259 20 0 BDADHO CCc1ncc(CN2CC[C@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493775 644469925 /nfs/dbraw/zinc/46/99/25/644469925.db2.gz VEKRNWSREHVWKS-WDEREUQCSA-N 1 3 237.347 1.654 20 0 BDADHO Cc1nc([C@H](C)N2CC[C@H](C[NH3+])[C@H](C)C2)n[nH]1 ZINC000923493486 644470224 /nfs/dbraw/zinc/47/02/24/644470224.db2.gz HEXPXLGRNDXCPR-WCABBAIRSA-N 1 3 237.351 1.091 20 0 BDADHO Cc1cnc(CN2CC[C@H](C[NH3+])[C@H](C)C2)cn1 ZINC000923500859 644476437 /nfs/dbraw/zinc/47/64/37/644476437.db2.gz PPXJUXGMZIOESH-ZYHUDNBSSA-N 1 3 234.347 1.202 20 0 BDADHO Cc1csc(C[C@H]2CCN(CCC[NH3+])C2)n1 ZINC000923552669 644496374 /nfs/dbraw/zinc/49/63/74/644496374.db2.gz XZXRUIIQHRRSNN-LLVKDONJSA-N 1 3 239.388 1.665 20 0 BDADHO NCCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923550479 644497831 /nfs/dbraw/zinc/49/78/31/644497831.db2.gz YCVGOXWEWWWFMA-ZDUSSCGKSA-N 1 3 226.364 1.474 20 0 BDADHO NCCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000923550479 644497833 /nfs/dbraw/zinc/49/78/33/644497833.db2.gz YCVGOXWEWWWFMA-ZDUSSCGKSA-N 1 3 226.364 1.474 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250457341 644760116 /nfs/dbraw/zinc/76/01/16/644760116.db2.gz IZLQCRPEUYXUOL-XDQVBPFNSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250457341 644760123 /nfs/dbraw/zinc/76/01/23/644760123.db2.gz IZLQCRPEUYXUOL-XDQVBPFNSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000250457338 644760370 /nfs/dbraw/zinc/76/03/70/644760370.db2.gz IZLQCRPEUYXUOL-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000250457338 644760376 /nfs/dbraw/zinc/76/03/76/644760376.db2.gz IZLQCRPEUYXUOL-RFQIPJPRSA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000250507371 644761168 /nfs/dbraw/zinc/76/11/68/644761168.db2.gz NPFLSUMEJCTTDD-ZIAGYGMSSA-N 1 3 238.375 1.999 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CNC[C@H]2CCC=CO2)C1 ZINC000250507371 644761174 /nfs/dbraw/zinc/76/11/74/644761174.db2.gz NPFLSUMEJCTTDD-ZIAGYGMSSA-N 1 3 238.375 1.999 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CN ZINC000253112773 644936724 /nfs/dbraw/zinc/93/67/24/644936724.db2.gz YLOIYLKVEODUIB-NOOOWODRSA-N 1 3 226.364 1.253 20 0 BDADHO CC(C)N(C)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924616682 646079911 /nfs/dbraw/zinc/07/99/11/646079911.db2.gz FMJDBTJEFXCBFB-STQMWFEESA-N 1 3 242.407 1.977 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697322 646091030 /nfs/dbraw/zinc/09/10/30/646091030.db2.gz KTERKOAZRBAXJX-YNEHKIRRSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697322 646091034 /nfs/dbraw/zinc/09/10/34/646091034.db2.gz KTERKOAZRBAXJX-YNEHKIRRSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697320 646091162 /nfs/dbraw/zinc/09/11/62/646091162.db2.gz KTERKOAZRBAXJX-RWMBFGLXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)CO ZINC000924697320 646091168 /nfs/dbraw/zinc/09/11/68/646091168.db2.gz KTERKOAZRBAXJX-RWMBFGLXSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)C1(Cl)CC1 ZINC000924757421 646102731 /nfs/dbraw/zinc/10/27/31/646102731.db2.gz OQWVTSCKOCWYDC-GHMZBOCLSA-N 1 3 246.782 1.193 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2COC[C@H]2C)C1 ZINC000924959679 646144694 /nfs/dbraw/zinc/14/46/94/646144694.db2.gz LEFPRQIJNGFDGM-RDBSUJKOSA-N 1 3 240.391 1.731 20 0 BDADHO C1CC1[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925492831 646292583 /nfs/dbraw/zinc/29/25/83/646292583.db2.gz IIYQQHLOCHWNMW-STQMWFEESA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](O)CC[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925499031 646304508 /nfs/dbraw/zinc/30/45/08/646304508.db2.gz LRSMJBRUWMAUNR-USZNOCQGSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H](O)CCN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925499031 646304511 /nfs/dbraw/zinc/30/45/11/646304511.db2.gz LRSMJBRUWMAUNR-USZNOCQGSA-N 1 3 226.364 1.124 20 0 BDADHO C[C@H]([NH3+])[C@@H](NCCN1CCCC1)c1ccccc1 ZINC000925509861 646307806 /nfs/dbraw/zinc/30/78/06/646307806.db2.gz RJELIEFRWMHDAZ-DZGCQCFKSA-N 1 3 247.386 1.760 20 0 BDADHO C1C[C@@H]2CC[C@H](N[C@H]3C[NH2+]CCOC3)C[C@H]2C1 ZINC000925515064 646310582 /nfs/dbraw/zinc/31/05/82/646310582.db2.gz SEOVGSREPXFREA-MQYQWHSLSA-N 1 3 238.375 1.533 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925525646 646318401 /nfs/dbraw/zinc/31/84/01/646318401.db2.gz DKEXVMZYTRZCOD-HZSPNIEDSA-N 1 3 242.407 1.761 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2(C)C)CN1C1CC1 ZINC000925542194 646323445 /nfs/dbraw/zinc/32/34/45/646323445.db2.gz NZMZVCXGVNYZIW-WZRBSPASSA-N 1 3 237.391 1.342 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCF ZINC000925557916 646333855 /nfs/dbraw/zinc/33/38/55/646333855.db2.gz RLJJLXWRRXWERC-ZACCUICWSA-N 1 3 200.301 1.276 20 0 BDADHO Cc1ccc(CCN[C@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925573240 646342538 /nfs/dbraw/zinc/34/25/38/646342538.db2.gz NIWJXHUTAHPWLL-KBPBESRZSA-N 1 3 245.370 1.792 20 0 BDADHO CC1(C)C[C@H]1C[NH2+][C@@H]1CCNC12CCC2 ZINC000925597676 646350461 /nfs/dbraw/zinc/35/04/61/646350461.db2.gz RAUOFEMLOFRTDX-WDEREUQCSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@H](CO)[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000929847191 646357716 /nfs/dbraw/zinc/35/77/16/646357716.db2.gz LUYRGRCWVXRWIU-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](CO)[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000929847191 646357722 /nfs/dbraw/zinc/35/77/22/646357722.db2.gz LUYRGRCWVXRWIU-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925646967 646386782 /nfs/dbraw/zinc/38/67/82/646386782.db2.gz YNMACCAQSUVXRF-VLEAKVRGSA-N 1 3 212.337 1.269 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925646967 646386786 /nfs/dbraw/zinc/38/67/86/646386786.db2.gz YNMACCAQSUVXRF-VLEAKVRGSA-N 1 3 212.337 1.269 20 0 BDADHO FCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925674877 646404615 /nfs/dbraw/zinc/40/46/15/646404615.db2.gz DJQWSWCGNIPHDT-JTQLQIEISA-N 1 3 200.301 1.610 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CCC2)C12CCC2 ZINC000925675309 646404827 /nfs/dbraw/zinc/40/48/27/646404827.db2.gz VJXAOQVEBQFMRK-XQQFMLRXSA-N 1 3 238.375 1.397 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CCC2)C12CCC2 ZINC000925675308 646405751 /nfs/dbraw/zinc/40/57/51/646405751.db2.gz VJXAOQVEBQFMRK-UPJWGTAASA-N 1 3 238.375 1.397 20 0 BDADHO C1[C@@H]2[C@H]1CCC[C@@H]2N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925686999 646413217 /nfs/dbraw/zinc/41/32/17/646413217.db2.gz YJPYBZRQASGGJS-DYSYMWPPSA-N 1 3 232.371 1.761 20 0 BDADHO CNC(=O)C[C@H](C)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925690409 646415825 /nfs/dbraw/zinc/41/58/25/646415825.db2.gz VEQIMPZIWSHKGB-DCAQKATOSA-N 1 3 241.379 1.007 20 0 BDADHO COCC1(CC[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925704701 646429287 /nfs/dbraw/zinc/42/92/87/646429287.db2.gz JHSGHXRUDBRINS-GFCCVEGCSA-N 1 3 238.375 1.677 20 0 BDADHO Cc1cncc(CC[NH2+][C@H]2C[C@@H](N)C23CCC3)n1 ZINC000925705937 646430336 /nfs/dbraw/zinc/43/03/36/646430336.db2.gz JCELPVSRLWFSRU-OLZOCXBDSA-N 1 3 246.358 1.187 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2C[C@@H](N)C23CCC3)n1 ZINC000925705934 646430635 /nfs/dbraw/zinc/43/06/35/646430635.db2.gz JCELPVSRLWFSRU-CHWSQXEVSA-N 1 3 246.358 1.187 20 0 BDADHO C(C[C@H]1CCCOC1)[NH2+][C@H]1CCNC12CCC2 ZINC000925720434 646446393 /nfs/dbraw/zinc/44/63/93/646446393.db2.gz HLQRHRMXTPDSJG-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO COCC(C)(C)CC[NH2+][C@H]1CCNC12CCC2 ZINC000925728167 646451067 /nfs/dbraw/zinc/45/10/67/646451067.db2.gz BLYVCSOUDMEAGX-LBPRGKRZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccns1 ZINC000925731425 646453901 /nfs/dbraw/zinc/45/39/01/646453901.db2.gz KKTMGNNETYFEEM-CMPLNLGQSA-N 1 3 239.388 1.663 20 0 BDADHO C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCCO1 ZINC000925781588 646477613 /nfs/dbraw/zinc/47/76/13/646477613.db2.gz IPJUMMLGFYJGSW-HBNTYKKESA-N 1 3 248.317 1.388 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829072 646499754 /nfs/dbraw/zinc/49/97/54/646499754.db2.gz AUOCEYZAJOOUKP-XHJNMGKDSA-N 1 3 236.359 1.295 20 0 BDADHO Cc1cc(CCN[C@@H]2CCC[NH2+]CC2)nn1C ZINC000925831202 646501711 /nfs/dbraw/zinc/50/17/11/646501711.db2.gz CVRJVBFILFRISM-GFCCVEGCSA-N 1 3 236.363 1.003 20 0 BDADHO CO[C@@H](C)[C@@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840519 646506604 /nfs/dbraw/zinc/50/66/04/646506604.db2.gz AZAQKGVWKFSTMO-YVECIDJPSA-N 1 3 226.364 1.532 20 0 BDADHO CCC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000925859788 646512439 /nfs/dbraw/zinc/51/24/39/646512439.db2.gz SBUXKTXAFIJBND-RWMBFGLXSA-N 1 3 228.380 1.645 20 0 BDADHO Cc1ccc(NCCN[C@H](C)[C@@H]2CC[NH2+]C2)nc1 ZINC000925878004 646527213 /nfs/dbraw/zinc/52/72/13/646527213.db2.gz OQIILEGTYDBHQX-CHWSQXEVSA-N 1 3 248.374 1.390 20 0 BDADHO CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000926469215 646652628 /nfs/dbraw/zinc/65/26/28/646652628.db2.gz GODNUZQXVXDHJR-RDBSUJKOSA-N 1 3 242.407 1.835 20 0 BDADHO COC/C(C)=C/C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000930555336 711696813 /nfs/dbraw/zinc/69/68/13/711696813.db2.gz MFTOZBUEUAYOLV-QJIMOZNHSA-N 1 3 238.375 1.607 20 0 BDADHO COC/C(C)=C/C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000930555336 711696816 /nfs/dbraw/zinc/69/68/16/711696816.db2.gz MFTOZBUEUAYOLV-QJIMOZNHSA-N 1 3 238.375 1.607 20 0 BDADHO C(N[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000232459139 711760489 /nfs/dbraw/zinc/76/04/89/711760489.db2.gz KMDSGCAGALXXPS-RTXFEEFZSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H](CC[NH2+]C1CCC(C)(O)CC1)N(C)C ZINC000703004229 712064126 /nfs/dbraw/zinc/06/41/26/712064126.db2.gz XDUHQEFWOBAKCU-PNESKVBLSA-N 1 3 228.380 1.610 20 0 BDADHO COC1CC(C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000703121657 712066692 /nfs/dbraw/zinc/06/66/92/712066692.db2.gz VKOIIMGBMYHJSZ-HTAVTVPLSA-N 1 3 226.364 1.389 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCSC1 ZINC000704813539 712118542 /nfs/dbraw/zinc/11/85/42/712118542.db2.gz IIEMOSUYGYBFKN-WOPDTQHZSA-N 1 3 228.405 1.847 20 0 BDADHO CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@@H]2CN)C1 ZINC000708330378 712186955 /nfs/dbraw/zinc/18/69/55/712186955.db2.gz INTZXGMGFUJPKT-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO CC1(C)CO[C@@H](C[N@H+]2CCCC[C@@H]2CN)C1 ZINC000708330378 712186957 /nfs/dbraw/zinc/18/69/57/712186957.db2.gz INTZXGMGFUJPKT-VXGBXAGGSA-N 1 3 226.364 1.615 20 0 BDADHO CN(C)C1(C)CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000709776354 712225274 /nfs/dbraw/zinc/22/52/74/712225274.db2.gz SJPRPNGWSIBXEI-GFCCVEGCSA-N 1 3 242.407 1.810 20 0 BDADHO C[C@H]1COC[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878215 712260745 /nfs/dbraw/zinc/26/07/45/712260745.db2.gz YZDFCQHKTVCPAE-JQWIXIFHSA-N 1 3 240.391 1.920 20 0 BDADHO CC[N@H+]1CC[C@H](CNC[C@H]2COC(C)(C)O2)C1 ZINC000715115877 712510605 /nfs/dbraw/zinc/51/06/05/712510605.db2.gz QYAMETMYWMYPKB-NEPJUHHUSA-N 1 3 242.363 1.069 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000715509652 712524696 /nfs/dbraw/zinc/52/46/96/712524696.db2.gz NWCWXGUUHZIJIW-HZSPNIEDSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CC(C)(C)CO1 ZINC000717370386 712652726 /nfs/dbraw/zinc/65/27/26/712652726.db2.gz CZIQWUIOCRVRHM-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@](C[NH3+])(NC[C@H]1CC(C)(C)CO1)C1CC1 ZINC000717650953 712663373 /nfs/dbraw/zinc/66/33/73/712663373.db2.gz MFYXHVDDVARRRN-YPMHNXCESA-N 1 3 226.364 1.519 20 0 BDADHO Cc1nc(C)c(CN2CCC(C[NH3+])CC2)o1 ZINC000723623010 710729290 /nfs/dbraw/zinc/72/92/90/710729290.db2.gz XSJDFDAGTGNOLW-UHFFFAOYSA-N 1 3 223.320 1.462 20 0 BDADHO C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000382945703 710975562 /nfs/dbraw/zinc/97/55/62/710975562.db2.gz SCJCZKIDQQJNFZ-HZSPNIEDSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H](NCc1cn(C)cn1)C1CC[NH+](C)CC1 ZINC000396455786 711221245 /nfs/dbraw/zinc/22/12/45/711221245.db2.gz MOSZUTDVZSKQAP-NSHDSACASA-N 1 3 236.363 1.240 20 0 BDADHO CSC(C)(C)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396639638 711357108 /nfs/dbraw/zinc/35/71/08/711357108.db2.gz IKHSXEFJMRQDRI-ZJUUUORDSA-N 1 3 216.394 1.858 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CCCO1 ZINC000396606865 711358443 /nfs/dbraw/zinc/35/84/43/711358443.db2.gz PGDFWGAINMCOBV-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CCCO1 ZINC000396606872 711359312 /nfs/dbraw/zinc/35/93/12/711359312.db2.gz PGDFWGAINMCOBV-TUAOUCFPSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCCOC(F)F ZINC000398273104 711406870 /nfs/dbraw/zinc/40/68/70/711406870.db2.gz HGIUBMYAMNTTSX-RKDXNWHRSA-N 1 3 222.279 1.346 20 0 BDADHO Cc1nc(CNCC[C@@H]2C[NH2+]C[C@H]2C)cs1 ZINC000722522949 710715118 /nfs/dbraw/zinc/71/51/18/710715118.db2.gz AKIXWCNNXZUCNZ-MWLCHTKSSA-N 1 3 239.388 1.787 20 0 BDADHO FC1(F)CC(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000383195290 710978865 /nfs/dbraw/zinc/97/88/65/710978865.db2.gz XQVHLCQQYVYDJT-RNWYCLNJSA-N 1 3 242.313 1.618 20 0 BDADHO C[C@H]1C[C@@H](NCc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000392645025 711150322 /nfs/dbraw/zinc/15/03/22/711150322.db2.gz RADFWXWGXKPCIK-JQWIXIFHSA-N 1 3 235.331 1.360 20 0 BDADHO C[C@H]1C[C@@H](NCc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000392645025 711150324 /nfs/dbraw/zinc/15/03/24/711150324.db2.gz RADFWXWGXKPCIK-JQWIXIFHSA-N 1 3 235.331 1.360 20 0 BDADHO CN(C[C@@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394330027 711189523 /nfs/dbraw/zinc/18/95/23/711189523.db2.gz OHRQYFYZINBXBU-QNMSZWNNSA-N 1 3 238.375 1.314 20 0 BDADHO CN(C[C@@H](O)C1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394330027 711189524 /nfs/dbraw/zinc/18/95/24/711189524.db2.gz OHRQYFYZINBXBU-QNMSZWNNSA-N 1 3 238.375 1.314 20 0 BDADHO CCC1(CN[C@H]2CCC[NH2+][C@H]2C)COC1 ZINC000396705447 711367109 /nfs/dbraw/zinc/36/71/09/711367109.db2.gz JCKKCYKUPOWCMF-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723670498 711533494 /nfs/dbraw/zinc/53/34/94/711533494.db2.gz SZTGZICRLJBKRY-NSHDSACASA-N 1 3 235.331 1.266 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CC[C@H](CC[NH3+])C2)n1 ZINC000723670498 711533497 /nfs/dbraw/zinc/53/34/97/711533497.db2.gz SZTGZICRLJBKRY-NSHDSACASA-N 1 3 235.331 1.266 20 0 BDADHO C[C@H](CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CC1 ZINC000382219630 711613979 /nfs/dbraw/zinc/61/39/79/711613979.db2.gz MRIVEJOQHHJSEQ-IGEOAAGFSA-N 1 3 220.360 1.619 20 0 BDADHO Cn1cnnc1[C@@H]1CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000311230794 711682970 /nfs/dbraw/zinc/68/29/70/711682970.db2.gz SWSUMXJTEWNXOV-WOPDTQHZSA-N 1 3 249.362 1.079 20 0 BDADHO CC1(C)[C@H](NC[C@@H]2CCCO2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925502999 711692801 /nfs/dbraw/zinc/69/28/01/711692801.db2.gz MJKVLGJZSSXZSG-QNWHQSFQSA-N 1 3 238.375 1.532 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@]12C[C@H]1CCC2 ZINC000925880310 711762132 /nfs/dbraw/zinc/76/21/32/711762132.db2.gz IZYUFFCFEDEJCP-NDBYEHHHSA-N 1 3 208.349 1.894 20 0 BDADHO Cc1ccncc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000162656975 711797260 /nfs/dbraw/zinc/79/72/60/711797260.db2.gz YGJNSJNUMYWQSO-TZMCWYRMSA-N 1 3 233.359 1.997 20 0 BDADHO COC1CC(C[NH2+][C@H]2CCNCC2(C)C)C1 ZINC000703121658 712066617 /nfs/dbraw/zinc/06/66/17/712066617.db2.gz VKOIIMGBMYHJSZ-MCIGGMRASA-N 1 3 226.364 1.389 20 0 BDADHO Cc1nccnc1CN(C)CCCCCC[NH3+] ZINC000703868630 712091697 /nfs/dbraw/zinc/09/16/97/712091697.db2.gz FGQVYKUUWBLRSD-UHFFFAOYSA-N 1 3 236.363 1.736 20 0 BDADHO C(C[C@@H]1CCSC1)[NH2+]C1CCNCC1 ZINC000704870454 712119711 /nfs/dbraw/zinc/11/97/11/712119711.db2.gz JWKLANGYNGMIRX-SNVBAGLBSA-N 1 3 214.378 1.471 20 0 BDADHO C[NH+]1C[C@@]2(C)CN(CCCCO)C[C@]2(C)C1 ZINC000705659411 712134773 /nfs/dbraw/zinc/13/47/73/712134773.db2.gz NFCNMKOHFRDFPR-STQMWFEESA-N 1 3 226.364 1.033 20 0 BDADHO C(C[NH2+]C1CC1)CN1CC[C@@]2(CCOC2)C1 ZINC000707649612 712176465 /nfs/dbraw/zinc/17/64/65/712176465.db2.gz GDWMUDLHILPISF-CYBMUJFWSA-N 1 3 224.348 1.241 20 0 BDADHO CN[C@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681284 712215632 /nfs/dbraw/zinc/21/56/32/712215632.db2.gz BBOUTSAKQSOYBG-NEPJUHHUSA-N 1 3 240.391 1.874 20 0 BDADHO CN[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681284 712215633 /nfs/dbraw/zinc/21/56/33/712215633.db2.gz BBOUTSAKQSOYBG-NEPJUHHUSA-N 1 3 240.391 1.874 20 0 BDADHO COCC1(CN[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000709285907 712219401 /nfs/dbraw/zinc/21/94/01/712219401.db2.gz QQLJPQCYWUSPIB-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCCOC1)[NH2+]2 ZINC000709447040 712222107 /nfs/dbraw/zinc/22/21/07/712222107.db2.gz DYCPQVFOXOROTN-KSSYENDESA-N 1 3 224.348 1.284 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2ccns2)CC[N@@H+]1C ZINC000709826013 712228681 /nfs/dbraw/zinc/22/86/81/712228681.db2.gz OSWSUXXEHZAVER-MNOVXSKESA-N 1 3 239.388 1.758 20 0 BDADHO C[C@@H]1C[C@@H](NCCc2ccns2)CC[N@H+]1C ZINC000709826013 712228684 /nfs/dbraw/zinc/22/86/84/712228684.db2.gz OSWSUXXEHZAVER-MNOVXSKESA-N 1 3 239.388 1.758 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1COC[C@H]1C ZINC000710852599 712259207 /nfs/dbraw/zinc/25/92/07/712259207.db2.gz MCSOUBSSCNXZGD-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000711110254 712281465 /nfs/dbraw/zinc/28/14/65/712281465.db2.gz PCDKUMJLPNSCCS-RFGFWPKPSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1COC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000711110254 712281467 /nfs/dbraw/zinc/28/14/67/712281467.db2.gz PCDKUMJLPNSCCS-RFGFWPKPSA-N 1 3 238.375 1.628 20 0 BDADHO FC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000711443566 712300522 /nfs/dbraw/zinc/30/05/22/712300522.db2.gz MWGHIYCOWGNNQZ-MNOVXSKESA-N 1 3 200.301 1.277 20 0 BDADHO C[C@]1(CN2CC[C@@H](CF)C2)CC[NH2+]C1 ZINC000711519707 712308653 /nfs/dbraw/zinc/30/86/53/712308653.db2.gz NAEZQEBNVKTJPY-QWRGUYRKSA-N 1 3 200.301 1.277 20 0 BDADHO C[C@H]1CCN(CCOC2CC2)C[C@H]1C[NH3+] ZINC000711754307 712324933 /nfs/dbraw/zinc/32/49/33/712324933.db2.gz UDRAYRKKLQBKEE-WDEREUQCSA-N 1 3 212.337 1.082 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@@H](N)CC(F)F)C[C@@H]21 ZINC000379559843 712388086 /nfs/dbraw/zinc/38/80/86/712388086.db2.gz POZAHDZBJHQYJG-XHNCKOQMSA-N 1 3 218.291 1.557 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@@H](N)CC(F)F)C[C@@H]21 ZINC000379559843 712388087 /nfs/dbraw/zinc/38/80/87/712388087.db2.gz POZAHDZBJHQYJG-XHNCKOQMSA-N 1 3 218.291 1.557 20 0 BDADHO CCOCC[N@@H+]1CCNCCC1(C)C ZINC000712540089 712443272 /nfs/dbraw/zinc/44/32/72/712443272.db2.gz KZZQFFSGJCATKS-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO CCOCC[N@H+]1CCNCCC1(C)C ZINC000712540089 712443273 /nfs/dbraw/zinc/44/32/73/712443273.db2.gz KZZQFFSGJCATKS-UHFFFAOYSA-N 1 3 200.326 1.097 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713588923 712466067 /nfs/dbraw/zinc/46/60/67/712466067.db2.gz YGWQFHOKMFDBJT-GXTWGEPZSA-N 1 3 240.391 1.862 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@H]2COC(C)(C)O2)C1 ZINC000715115877 712510601 /nfs/dbraw/zinc/51/06/01/712510601.db2.gz QYAMETMYWMYPKB-NEPJUHHUSA-N 1 3 242.363 1.069 20 0 BDADHO CC[N@@H+]1CC[C@H](CNC[C@H]2COC(C)(C)O2)C1 ZINC000715115877 712510603 /nfs/dbraw/zinc/51/06/03/712510603.db2.gz QYAMETMYWMYPKB-NEPJUHHUSA-N 1 3 242.363 1.069 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCS1 ZINC000715750844 712531292 /nfs/dbraw/zinc/53/12/92/712531292.db2.gz BWQYMJDCZJWGKX-TUAOUCFPSA-N 1 3 228.405 1.989 20 0 BDADHO CN1CCC([NH2+]C[C@@H]2CCN(C3CC3)C2)CC1 ZINC000037649341 712734034 /nfs/dbraw/zinc/73/40/34/712734034.db2.gz NLZDIUPJHJJLMS-LBPRGKRZSA-N 1 3 237.391 1.155 20 0 BDADHO c1cc(CN[C@]23C[C@H]2COC3)c2c(c1)C[NH2+]CC2 ZINC000718062821 712739806 /nfs/dbraw/zinc/73/98/06/712739806.db2.gz IWVXZEZLHASWDT-ZFWWWQNUSA-N 1 3 244.338 1.211 20 0 BDADHO CCCN1CCC([NH2+][C@@H]2CCN(C)[C@@H]2C)CC1 ZINC000719649015 712820468 /nfs/dbraw/zinc/82/04/68/712820468.db2.gz SDOPBEGBXYCUBE-TZMCWYRMSA-N 1 3 239.407 1.543 20 0 BDADHO CC[C@H](C)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000720291368 712830446 /nfs/dbraw/zinc/83/04/46/712830446.db2.gz FBCGRZRNLHQDFX-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO Cc1cc(CN2CCC(C[NH3+])CC2)c(C)nn1 ZINC000720584847 712854748 /nfs/dbraw/zinc/85/47/48/712854748.db2.gz VQDISHLLLRIBBM-UHFFFAOYSA-N 1 3 234.347 1.264 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788232 712865233 /nfs/dbraw/zinc/86/52/33/712865233.db2.gz IUZIJSBIPIDZJG-FVCCEPFGSA-N 1 3 224.348 1.367 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788232 712865235 /nfs/dbraw/zinc/86/52/35/712865235.db2.gz IUZIJSBIPIDZJG-FVCCEPFGSA-N 1 3 224.348 1.367 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000720870796 712871683 /nfs/dbraw/zinc/87/16/83/712871683.db2.gz LPTZYMWRLUTZQS-XJFOESAGSA-N 1 3 238.375 1.615 20 0 BDADHO C[C@]1(C[NH3+])CCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720870795 712871916 /nfs/dbraw/zinc/87/19/16/712871916.db2.gz LPTZYMWRLUTZQS-XDQVBPFNSA-N 1 3 238.375 1.615 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000720873537 712873506 /nfs/dbraw/zinc/87/35/06/712873506.db2.gz QNLUBGZUGDVYCV-XUXIUFHCSA-N 1 3 238.375 1.615 20 0 BDADHO NC[C@H]1CCCC[N@H+](CCCCCO)C1 ZINC000308850325 959526930 /nfs/dbraw/zinc/52/69/30/959526930.db2.gz MOIMCJLHCSKMAM-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO NC[C@H]1CCCC[N@@H+](CCCCCO)C1 ZINC000308850325 959526953 /nfs/dbraw/zinc/52/69/53/959526953.db2.gz MOIMCJLHCSKMAM-GFCCVEGCSA-N 1 3 214.353 1.210 20 0 BDADHO C(C[N@@H+]1CCCNCC1)C1CCOCC1 ZINC000308971093 959553709 /nfs/dbraw/zinc/55/37/09/959553709.db2.gz PLQDBCQYVCVICQ-UHFFFAOYSA-N 1 3 212.337 1.098 20 0 BDADHO C(C[N@H+]1CCCNCC1)C1CCOCC1 ZINC000308971093 959553727 /nfs/dbraw/zinc/55/37/27/959553727.db2.gz PLQDBCQYVCVICQ-UHFFFAOYSA-N 1 3 212.337 1.098 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCCOCC1 ZINC000710454340 962383749 /nfs/dbraw/zinc/38/37/49/962383749.db2.gz LTUJFPWQXNYCQW-OLZOCXBDSA-N 1 3 226.364 1.629 20 0 BDADHO Cc1cc(CN2CCC[C@](F)(C[NH3+])CC2)[nH]n1 ZINC001205545521 967692998 /nfs/dbraw/zinc/69/29/98/967692998.db2.gz IWIWQVDGPAPBNY-GFCCVEGCSA-N 1 3 240.326 1.371 20 0 BDADHO C[NH+]1CCC(CCN2CC[C@H](F)C2)CC1 ZINC001207480184 968799053 /nfs/dbraw/zinc/79/90/53/968799053.db2.gz WIGKOYGFIDOJRI-LBPRGKRZSA-N 1 3 214.328 1.762 20 0 BDADHO CCC[N@H+]1C[C@H]2CN(CC3(C)COC3)C[C@H]2C1 ZINC001207800392 968888467 /nfs/dbraw/zinc/88/84/67/968888467.db2.gz QDLHEMPTTCKWOU-BETUJISGSA-N 1 3 238.375 1.297 20 0 BDADHO CCC[N@@H+]1C[C@H]2CN(CC3(C)COC3)C[C@H]2C1 ZINC001207800392 968888472 /nfs/dbraw/zinc/88/84/72/968888472.db2.gz QDLHEMPTTCKWOU-BETUJISGSA-N 1 3 238.375 1.297 20 0 BDADHO CCN1C[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@H]2C1 ZINC001207896185 968907941 /nfs/dbraw/zinc/90/79/41/968907941.db2.gz KYSONYZUGVKSNK-UPJWGTAASA-N 1 3 224.348 1.049 20 0 BDADHO CC(=O)[C@@H]1CCC[N@H+]1CC1(C)CCN(C)CC1 ZINC001208115773 969006968 /nfs/dbraw/zinc/00/69/68/969006968.db2.gz NPDKDBNYAJXGAG-ZDUSSCGKSA-N 1 3 238.375 1.772 20 0 BDADHO CC(=O)[C@@H]1CCC[N@@H+]1CC1(C)CCN(C)CC1 ZINC001208115773 969006975 /nfs/dbraw/zinc/00/69/75/969006975.db2.gz NPDKDBNYAJXGAG-ZDUSSCGKSA-N 1 3 238.375 1.772 20 0 BDADHO CC(=O)[C@@H]1CCCN1CC1(C)CC[NH+](C)CC1 ZINC001208115773 969006976 /nfs/dbraw/zinc/00/69/76/969006976.db2.gz NPDKDBNYAJXGAG-ZDUSSCGKSA-N 1 3 238.375 1.772 20 0 BDADHO CO[C@H]1CCN(CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185044 969117316 /nfs/dbraw/zinc/11/73/16/969117316.db2.gz URXRYFQATQIZPT-ZDUSSCGKSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CCC[C@@H](C[NH+]2CCC3(COC3)CC2)C1 ZINC001208605102 969158148 /nfs/dbraw/zinc/15/81/48/969158148.db2.gz YTWVIPKNJYZIDS-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2CCC3(COC3)CC2)C1 ZINC001208605102 969158151 /nfs/dbraw/zinc/15/81/51/969158151.db2.gz YTWVIPKNJYZIDS-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2CCC3(COC3)CC2)C1 ZINC001208605102 969158153 /nfs/dbraw/zinc/15/81/53/969158153.db2.gz YTWVIPKNJYZIDS-CYBMUJFWSA-N 1 3 238.375 1.441 20 0 BDADHO CCN1CCC[N@@H+]([C@@H]2CCCN(C)CC2)CC1 ZINC001254517869 969698436 /nfs/dbraw/zinc/69/84/36/969698436.db2.gz ZHQOIXGWRFVYEZ-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CCC[N@H+]([C@@H]2CCCN(C)CC2)CC1 ZINC001254517869 969698456 /nfs/dbraw/zinc/69/84/56/969698456.db2.gz ZHQOIXGWRFVYEZ-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC001255533187 970294847 /nfs/dbraw/zinc/29/48/47/970294847.db2.gz WSARAIVVAHXENG-GHMZBOCLSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC001255533187 970294850 /nfs/dbraw/zinc/29/48/50/970294850.db2.gz WSARAIVVAHXENG-GHMZBOCLSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1N ZINC001255645587 970421250 /nfs/dbraw/zinc/42/12/50/970421250.db2.gz GIIJSTGAXRVCRP-GJMOJQLCSA-N 1 3 210.243 1.797 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC[C@H](C)O ZINC001255950741 970563613 /nfs/dbraw/zinc/56/36/13/970563613.db2.gz KOSJEKZFTWJVBI-NEPJUHHUSA-N 1 3 216.369 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOC ZINC001255939586 970572419 /nfs/dbraw/zinc/57/24/19/970572419.db2.gz HVEBDGHFFHMQRO-GFCCVEGCSA-N 1 3 216.369 1.733 20 0 BDADHO Cc1nc(CN[C@@H](C)C2CC[NH2+]CC2)cs1 ZINC000400323928 970577871 /nfs/dbraw/zinc/57/78/71/970577871.db2.gz BWZJEBRFBIUXRX-VIFPVBQESA-N 1 3 239.388 1.929 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H](C)CO ZINC001255942267 970577981 /nfs/dbraw/zinc/57/79/81/970577981.db2.gz DXKUVHUAXIYTJV-RYUDHWBXSA-N 1 3 216.369 1.325 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NC[C@H](O)C1CC1 ZINC001255949995 970582233 /nfs/dbraw/zinc/58/22/33/970582233.db2.gz DOQAPAAOPPONEM-YPMHNXCESA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H](O)C1CC1 ZINC001255949995 970582242 /nfs/dbraw/zinc/58/22/42/970582242.db2.gz DOQAPAAOPPONEM-YPMHNXCESA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CCCOCCO ZINC001255950751 970582892 /nfs/dbraw/zinc/58/28/92/970582892.db2.gz KUPHGNKYAIUJPA-CYBMUJFWSA-N 1 3 246.395 1.095 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC1CC(O)C1 ZINC001255946334 970584192 /nfs/dbraw/zinc/58/41/92/970584192.db2.gz SLLGWNDVBIVSOK-HIFPTAJRSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CCC(N)=O)[C@H](C)CC[NH+](CC)CC ZINC001255961110 970602388 /nfs/dbraw/zinc/60/23/88/970602388.db2.gz KQBZINLEVMFDDS-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+](CC)CCC(N)=O ZINC001255961110 970602420 /nfs/dbraw/zinc/60/24/20/970602420.db2.gz KQBZINLEVMFDDS-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+](CC)CCC(N)=O ZINC001255961110 970602428 /nfs/dbraw/zinc/60/24/28/970602428.db2.gz KQBZINLEVMFDDS-GFCCVEGCSA-N 1 3 243.395 1.304 20 0 BDADHO CCN(CC)CC[C@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC001255962901 970604195 /nfs/dbraw/zinc/60/41/95/970604195.db2.gz BWAYYGFXNKKVIK-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CC[C@H](C)[N@H+]1CCC[C@](C)(O)C1 ZINC001255962901 970604204 /nfs/dbraw/zinc/60/42/04/970604204.db2.gz BWAYYGFXNKKVIK-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO C[NH+]1CCC(N2CC(N3CCCCC3)C2)CC1 ZINC001256208636 970712862 /nfs/dbraw/zinc/71/28/62/970712862.db2.gz KOMDGHNPTSMVKQ-UHFFFAOYSA-N 1 3 237.391 1.251 20 0 BDADHO C[NH+](C)[C@@H]1C[C@@H](NCC2(O)CCC2)C1(C)C ZINC001335520782 977116009 /nfs/dbraw/zinc/11/60/09/977116009.db2.gz VMDVKARDINQISE-GHMZBOCLSA-N 1 3 226.364 1.220 20 0 BDADHO CCO[C@H](CNCC1(OC)CCC1)C[NH+](C)C ZINC001336854975 978006144 /nfs/dbraw/zinc/00/61/44/978006144.db2.gz SSEYGBARVNWYJJ-GFCCVEGCSA-N 1 3 244.379 1.112 20 0 BDADHO CC[N@H+](C1CCOCC1)[C@@H]1CCN[C@@H](C)C1 ZINC000716444050 979659257 /nfs/dbraw/zinc/65/92/57/979659257.db2.gz TULYSDCXXGUVLI-WCQYABFASA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@@H+](C1CCOCC1)[C@@H]1CCN[C@@H](C)C1 ZINC000716444050 979659262 /nfs/dbraw/zinc/65/92/62/979659262.db2.gz TULYSDCXXGUVLI-WCQYABFASA-N 1 3 226.364 1.628 20 0 BDADHO CC[NH+]1C[C@@H]2CN(CCCCCO)C[C@H]2C1 ZINC001236950270 979798101 /nfs/dbraw/zinc/79/81/01/979798101.db2.gz KXQVLVSFHHIKDX-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001343714233 980216672 /nfs/dbraw/zinc/21/66/72/980216672.db2.gz LXXPKCSXDQMBNA-TUAOUCFPSA-N 1 3 241.379 1.101 20 0 BDADHO c1nc(CNC2CCC2)c2n1CCC[NH2+]C2 ZINC001239332980 980538844 /nfs/dbraw/zinc/53/88/44/980538844.db2.gz KXJVVECVDFUBCH-UHFFFAOYSA-N 1 3 220.320 1.019 20 0 BDADHO C[C@@]1(CO)CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345159169 980570844 /nfs/dbraw/zinc/57/08/44/980570844.db2.gz CRRPWARGEOOJAP-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO CCNC(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC000848981052 983597297 /nfs/dbraw/zinc/59/72/97/983597297.db2.gz BHWDGMWNEALEMH-UHFFFAOYSA-N 1 3 226.368 1.385 20 0 BDADHO CCCCC[C@H](CCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587827 972977987 /nfs/dbraw/zinc/97/79/87/972977987.db2.gz VOZCRQFYGMHNEC-MELADBBJSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246587827 972978003 /nfs/dbraw/zinc/97/80/03/972978003.db2.gz VOZCRQFYGMHNEC-MELADBBJSA-N 1 3 242.407 1.987 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H](C)[C@H]1CCCO1 ZINC001329022578 973433456 /nfs/dbraw/zinc/43/34/56/973433456.db2.gz FUIGSHKGYDFYLE-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO C[N@H+]([C@H]1CCOC1)C1CCN(C(C)(C)C)CC1 ZINC001256574159 970865494 /nfs/dbraw/zinc/86/54/94/970865494.db2.gz UZORNGPDDZTNMF-ZDUSSCGKSA-N 1 3 240.391 1.970 20 0 BDADHO C[N@@H+]([C@H]1CCOC1)C1CCN(C(C)(C)C)CC1 ZINC001256574159 970865496 /nfs/dbraw/zinc/86/54/96/970865496.db2.gz UZORNGPDDZTNMF-ZDUSSCGKSA-N 1 3 240.391 1.970 20 0 BDADHO FCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678932 970918917 /nfs/dbraw/zinc/91/89/17/970918917.db2.gz VZBNPTQPGOTIDC-UHFFFAOYSA-N 1 3 230.327 1.189 20 0 BDADHO C[C@@H](Cc1ccncc1)NC(C)(C)C[NH3+] ZINC001256719453 970937397 /nfs/dbraw/zinc/93/73/97/970937397.db2.gz PYCKHVUOMBMCSB-JTQLQIEISA-N 1 3 207.321 1.340 20 0 BDADHO CCC[N@H+](CCCN)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503116 971001966 /nfs/dbraw/zinc/00/19/66/971001966.db2.gz COHBSQHVMRFINS-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCC[N@@H+](CCCN)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170503116 971001975 /nfs/dbraw/zinc/00/19/75/971001975.db2.gz COHBSQHVMRFINS-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO NCc1cn([C@@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC001256894454 971015633 /nfs/dbraw/zinc/01/56/33/971015633.db2.gz KHTXMNVXOIABSJ-CQSZACIVSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1cn([C@@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC001256894454 971015648 /nfs/dbraw/zinc/01/56/48/971015648.db2.gz KHTXMNVXOIABSJ-CQSZACIVSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1cn([C@H]2CCC[N@@H+](C3CCCC3)C2)cn1 ZINC001256894453 971016254 /nfs/dbraw/zinc/01/62/54/971016254.db2.gz KHTXMNVXOIABSJ-AWEZNQCLSA-N 1 3 248.374 1.921 20 0 BDADHO NCc1cn([C@H]2CCC[N@H+](C3CCCC3)C2)cn1 ZINC001256894453 971016261 /nfs/dbraw/zinc/01/62/61/971016261.db2.gz KHTXMNVXOIABSJ-AWEZNQCLSA-N 1 3 248.374 1.921 20 0 BDADHO CNc1cc(Nc2ccncc2C)cc[nH+]1 ZINC001216331018 971039116 /nfs/dbraw/zinc/03/91/16/971039116.db2.gz IOPIPCDYJKYCEJ-UHFFFAOYSA-N 1 3 214.272 1.992 20 0 BDADHO CC(C)[NH+]1CCC(N2CCC3(COC3)C2)CC1 ZINC001257214307 971126011 /nfs/dbraw/zinc/12/60/11/971126011.db2.gz AVHBOGZRGSMIPX-UHFFFAOYSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@H](Cn1cccn1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405241211 971222832 /nfs/dbraw/zinc/22/28/32/971222832.db2.gz BDOKMRMSCOUXNY-GRYCIOLGSA-N 1 3 234.347 1.131 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405241211 971222841 /nfs/dbraw/zinc/22/28/41/971222841.db2.gz BDOKMRMSCOUXNY-GRYCIOLGSA-N 1 3 234.347 1.131 20 0 BDADHO CC(C)CCOCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405343703 971243642 /nfs/dbraw/zinc/24/36/42/971243642.db2.gz JPQVVFLNGSOHEP-STQMWFEESA-N 1 3 240.391 1.909 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1C[C@@H](N)C12CCC2)C1CC1 ZINC000405376584 971246554 /nfs/dbraw/zinc/24/65/54/971246554.db2.gz BNXRSQTVNUZZGN-WOPDTQHZSA-N 1 3 224.348 1.007 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCC2=CCOCC2)C12CCC2 ZINC000405411355 971255664 /nfs/dbraw/zinc/25/56/64/971255664.db2.gz ULAGDIOAHFKMQN-NEPJUHHUSA-N 1 3 222.332 1.193 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]CC2=CCOCC2)C12CCC2 ZINC000405411355 971255674 /nfs/dbraw/zinc/25/56/74/971255674.db2.gz ULAGDIOAHFKMQN-NEPJUHHUSA-N 1 3 222.332 1.193 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)[C@@H](C)O1 ZINC000405445787 971261788 /nfs/dbraw/zinc/26/17/88/971261788.db2.gz WPJBZFWODPRMEK-LDMBFOFVSA-N 1 3 224.348 1.412 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](N)C23CCC3)[C@@H](C)O1 ZINC000405445787 971261795 /nfs/dbraw/zinc/26/17/95/971261795.db2.gz WPJBZFWODPRMEK-LDMBFOFVSA-N 1 3 224.348 1.412 20 0 BDADHO CC(C)(C)C[C@H](CO)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405501186 971262867 /nfs/dbraw/zinc/26/28/67/971262867.db2.gz QXPGBZKFJSJMSU-WOPDTQHZSA-N 1 3 240.391 1.643 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217789682 971408436 /nfs/dbraw/zinc/40/84/36/971408436.db2.gz QCMCNUJRWMTNQR-UTUOFQBUSA-N 1 3 242.363 1.116 20 0 BDADHO C[NH2+][C@H]1C[C@@H](Oc2cccc3c2CNC3)C1 ZINC001217957906 971545849 /nfs/dbraw/zinc/54/58/49/971545849.db2.gz WMJOEVCHRZSBAX-PHIMTYICSA-N 1 3 218.300 1.419 20 0 BDADHO CC(C)C[NH+]1CCC(NC2(CO)CCC2)CC1 ZINC001258004877 971554681 /nfs/dbraw/zinc/55/46/81/971554681.db2.gz KMBMUXGKRRYPBK-UHFFFAOYSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)C[NH+]1CCC(n2cncc2CN)CC1 ZINC001258001092 971553090 /nfs/dbraw/zinc/55/30/90/971553090.db2.gz ASWMQGBAIZKJAF-UHFFFAOYSA-N 1 3 236.363 1.635 20 0 BDADHO CC(C)C[NH+]1CCC(N2CC[C@@](C)(O)C2)CC1 ZINC001258013444 971555199 /nfs/dbraw/zinc/55/51/99/971555199.db2.gz RBYBDFQHJIUQPU-CQSZACIVSA-N 1 3 240.391 1.564 20 0 BDADHO c1cc2c(c(O[C@@H]3CCC34C[NH2+]C4)c1)CNC2 ZINC001218243010 971650656 /nfs/dbraw/zinc/65/06/56/971650656.db2.gz VQSNKLQZLYBPPN-CYBMUJFWSA-N 1 3 230.311 1.421 20 0 BDADHO C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2c1CNC2 ZINC001218411753 971783227 /nfs/dbraw/zinc/78/32/27/971783227.db2.gz AOTMHAZXUDSFJM-GWCFXTLKSA-N 1 3 232.327 1.667 20 0 BDADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2c(c1)N=NC2 ZINC001219414446 972009084 /nfs/dbraw/zinc/00/90/84/972009084.db2.gz AIHYBTRPNAVRJK-SNVBAGLBSA-N 1 3 247.302 1.289 20 0 BDADHO COCc1ccc(N[C@@H](N)CCC[NH3+])cc1 ZINC001170900995 972068186 /nfs/dbraw/zinc/06/81/86/972068186.db2.gz SRWFGMSNJYMIMX-GFCCVEGCSA-N 1 3 223.320 1.269 20 0 BDADHO Cc1cc(N[C@@H](N)CCC[NH3+])cc2cccnc12 ZINC001170901055 972069758 /nfs/dbraw/zinc/06/97/58/972069758.db2.gz VDIFGRXLCJURDT-CYBMUJFWSA-N 1 3 244.342 1.979 20 0 BDADHO Cc1cc(N[C@H](N)CCC[NH3+])cc2cc[nH]c21 ZINC001170902529 972078351 /nfs/dbraw/zinc/07/83/51/972078351.db2.gz FLHRLXMIKGKHDQ-LBPRGKRZSA-N 1 3 232.331 1.912 20 0 BDADHO C=CC(=O)Oc1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170904777 972080272 /nfs/dbraw/zinc/08/02/72/972080272.db2.gz PAIXWRCDOLSCSW-LBPRGKRZSA-N 1 3 249.314 1.214 20 0 BDADHO C[C@H]([NH3+])CCNC[C@@H](O)c1ccccc1 ZINC001245990737 972111713 /nfs/dbraw/zinc/11/17/13/972111713.db2.gz AOMIJOVFCUQXMW-CMPLNLGQSA-N 1 3 208.305 1.047 20 0 BDADHO C[C@H]1CC[C@H](NC2C[C@@H]3C=C[C@H](C2)O3)C[NH2+]1 ZINC001246078007 972131623 /nfs/dbraw/zinc/13/16/23/972131623.db2.gz AOVORGASSOZPHU-PBYDBYKOSA-N 1 3 222.332 1.203 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@](C)(O)CC2)CCN1 ZINC001246090449 972144433 /nfs/dbraw/zinc/14/44/33/972144433.db2.gz XPKSUJGPKJSMNU-RVMXOQNASA-N 1 3 226.364 1.410 20 0 BDADHO C[C@H](Cc1ccccn1)NC[C@@H]1C[NH2+]CC[C@H]1C ZINC001246108601 972172332 /nfs/dbraw/zinc/17/23/32/972172332.db2.gz CNXWMXYSVDHHTH-MCIONIFRSA-N 1 3 247.386 1.848 20 0 BDADHO C[C@@H]1CC[C@@H](CNC2CCSCC2)[NH2+]C1 ZINC001246110169 972174625 /nfs/dbraw/zinc/17/46/25/972174625.db2.gz HLLOJDCNLCWBAW-PWSUYJOCSA-N 1 3 228.405 1.860 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170968341 972182987 /nfs/dbraw/zinc/18/29/87/972182987.db2.gz DLHFOHMKCFZULX-ZYHUDNBSSA-N 1 3 236.334 1.867 20 0 BDADHO CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CNCC34CC4)C[C@@H]21 ZINC001246131380 972188779 /nfs/dbraw/zinc/18/87/79/972188779.db2.gz JQQUMNIMCRABDS-YFKTTZPYSA-N 1 3 220.360 1.763 20 0 BDADHO CC(C)([NH3+])CNc1ncccc1CN1CCCC1 ZINC001160031709 972208946 /nfs/dbraw/zinc/20/89/46/972208946.db2.gz FSOLWWSXJNSMIJ-UHFFFAOYSA-N 1 3 248.374 1.827 20 0 BDADHO COC(=O)[C@H]1CCC[C@@H](NCC[C@H](C)[NH3+])C1 ZINC001246307613 972269485 /nfs/dbraw/zinc/26/94/85/972269485.db2.gz ZJOFHXHOAPFIBB-GARJFASQSA-N 1 3 228.336 1.045 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H]2COCC2(C)C)C1 ZINC000693025893 957512501 /nfs/dbraw/zinc/51/25/01/957512501.db2.gz GEOMFLJSCXFHQK-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H]2COCC2(C)C)C1 ZINC000693025893 957512510 /nfs/dbraw/zinc/51/25/10/957512510.db2.gz GEOMFLJSCXFHQK-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000693025893 957512514 /nfs/dbraw/zinc/51/25/14/957512514.db2.gz GEOMFLJSCXFHQK-OLZOCXBDSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]CC[C@H](C)N[C@@H]1CNc2ccccc2C1 ZINC001246316999 972277687 /nfs/dbraw/zinc/27/76/87/972277687.db2.gz PYMDMUGMNPJLNZ-AAEUAGOBSA-N 1 3 233.359 1.611 20 0 BDADHO CSC[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405327636 959438188 /nfs/dbraw/zinc/43/81/88/959438188.db2.gz VBSHWMXPAUYSSD-AEJSXWLSSA-N 1 3 214.378 1.597 20 0 BDADHO Cc1nc(CN(C)CC2CC[NH+](C)CC2)c[nH]1 ZINC000724777811 959443216 /nfs/dbraw/zinc/44/32/16/959443216.db2.gz IBAVOVVSNQBGHP-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO CCSC[C@@H](C)[N@@H+]1CC[C@@](C)(N)C1 ZINC001246530860 972437145 /nfs/dbraw/zinc/43/71/45/972437145.db2.gz OOWWVOZOEHXRQF-NXEZZACHSA-N 1 3 202.367 1.551 20 0 BDADHO CCSC[C@@H](C)[N@H+]1CC[C@@](C)(N)C1 ZINC001246530860 972437148 /nfs/dbraw/zinc/43/71/48/972437148.db2.gz OOWWVOZOEHXRQF-NXEZZACHSA-N 1 3 202.367 1.551 20 0 BDADHO CC1(C)[NH2+]C[C@@H](CN2CCC3(CCC3)CC2)O1 ZINC001222346374 972440590 /nfs/dbraw/zinc/44/05/90/972440590.db2.gz QXTSGYYMAFCAJZ-LBPRGKRZSA-N 1 3 238.375 1.977 20 0 BDADHO c1cc2c(cn1)CN(CC1CC[NH2+]CC1)CC2 ZINC001207438040 960095427 /nfs/dbraw/zinc/09/54/27/960095427.db2.gz RZJUIVCAXCPYIZ-UHFFFAOYSA-N 1 3 231.343 1.439 20 0 BDADHO O=C1C[C@H]2CCC[C@@H](C1)N2CC1CC[NH2+]CC1 ZINC001207439674 960103651 /nfs/dbraw/zinc/10/36/51/960103651.db2.gz ZABFEAVYPKXHAJ-BETUJISGSA-N 1 3 236.359 1.572 20 0 BDADHO Cc1ccc(CNC(CN)C[NH3+])c(Cl)c1 ZINC000695309224 960196019 /nfs/dbraw/zinc/19/60/19/960196019.db2.gz BEDLDPFXFDNIMA-UHFFFAOYSA-N 1 3 227.739 1.024 20 0 BDADHO C[C@@H]1CCCCN1CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925549970 960324823 /nfs/dbraw/zinc/32/48/23/960324823.db2.gz JYNBHWZWBURKAV-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO C[NH+]1CCC(CCN2CC(C)(CO)C2)CC1 ZINC001207479427 960353941 /nfs/dbraw/zinc/35/39/41/960353941.db2.gz IQGVSMGRXLLACU-UHFFFAOYSA-N 1 3 226.364 1.033 20 0 BDADHO COCC1(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603498 960436930 /nfs/dbraw/zinc/43/69/30/960436930.db2.gz NQWPUYHMGKSGHV-MNOVXSKESA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](C)C2)CCN1 ZINC000709265344 960463589 /nfs/dbraw/zinc/46/35/89/960463589.db2.gz MGJWVRZSRZLTNS-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@@H]1CC[C@@H](O)CN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709280096 960468147 /nfs/dbraw/zinc/46/81/47/960468147.db2.gz FAQVOHFPDQFLJW-OCIKQUFWSA-N 1 3 224.348 1.115 20 0 BDADHO CC[C@H](C)C[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491432 972514756 /nfs/dbraw/zinc/51/47/56/972514756.db2.gz AUHZYXGEFJAERY-AVGNSLFASA-N 1 3 225.380 1.058 20 0 BDADHO CC[C@H](C)C[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222491432 972514766 /nfs/dbraw/zinc/51/47/66/972514766.db2.gz AUHZYXGEFJAERY-AVGNSLFASA-N 1 3 225.380 1.058 20 0 BDADHO CC(C)CC[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222492188 972515070 /nfs/dbraw/zinc/51/50/70/972515070.db2.gz QCIKLNCQIWNFTR-STQMWFEESA-N 1 3 225.380 1.058 20 0 BDADHO CC(C)CC[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001222492188 972515080 /nfs/dbraw/zinc/51/50/80/972515080.db2.gz QCIKLNCQIWNFTR-STQMWFEESA-N 1 3 225.380 1.058 20 0 BDADHO CC(C)CCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492188 972515090 /nfs/dbraw/zinc/51/50/90/972515090.db2.gz QCIKLNCQIWNFTR-STQMWFEESA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CCN1 ZINC000709448246 960613214 /nfs/dbraw/zinc/61/32/14/960613214.db2.gz LCVDBZASSXOCLA-KKOKHZNYSA-N 1 3 208.349 1.715 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CCN1 ZINC000709448246 960613219 /nfs/dbraw/zinc/61/32/19/960613219.db2.gz LCVDBZASSXOCLA-KKOKHZNYSA-N 1 3 208.349 1.715 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CO)CC2)CCN1 ZINC000709467563 960615601 /nfs/dbraw/zinc/61/56/01/960615601.db2.gz UOZFVKAPBBTGBR-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CO)CC2)CCN1 ZINC000709467563 960615609 /nfs/dbraw/zinc/61/56/09/960615609.db2.gz UOZFVKAPBBTGBR-FRRDWIJNSA-N 1 3 226.364 1.221 20 0 BDADHO CN1CCCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709486737 960623198 /nfs/dbraw/zinc/62/31/98/960623198.db2.gz GNDGUXYPGXAQHD-PIGZVRMJSA-N 1 3 237.391 1.343 20 0 BDADHO Cn1cccc1CN1CCC(F)(C[NH3+])CC1 ZINC001222531229 960681019 /nfs/dbraw/zinc/68/10/19/960681019.db2.gz AAPHDWHRGOEZFS-UHFFFAOYSA-N 1 3 225.311 1.288 20 0 BDADHO Cc1nc(N)ccc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206632180 962122048 /nfs/dbraw/zinc/12/20/48/962122048.db2.gz GVKATBJWARVRKX-GFCCVEGCSA-N 1 3 248.374 1.533 20 0 BDADHO CN(C)Cc1ccnc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001154990941 962934371 /nfs/dbraw/zinc/93/43/71/962934371.db2.gz ZEYQMWSEGNYUGM-OLZOCXBDSA-N 1 3 248.374 1.825 20 0 BDADHO Cc1cc(C)nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155479826 963084279 /nfs/dbraw/zinc/08/42/79/963084279.db2.gz HBTLEIRCNLECOZ-JHJVBQTASA-N 1 3 247.342 1.345 20 0 BDADHO C[C@H]1[C@@H]([NH3+])CCCN1c1cc(N(C)C)ccn1 ZINC001157740968 963713725 /nfs/dbraw/zinc/71/37/25/963713725.db2.gz JAVCCNFHCNZFPP-JQWIXIFHSA-N 1 3 234.347 1.464 20 0 BDADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)CN)C2 ZINC001168245443 964059383 /nfs/dbraw/zinc/05/93/83/964059383.db2.gz YXCUKFQFWTYAMT-MFKMUULPSA-N 1 3 234.343 1.347 20 0 BDADHO C[NH+](C)C1CCC(N2CCOCC23CC3)CC1 ZINC001168328265 964461669 /nfs/dbraw/zinc/46/16/69/964461669.db2.gz BZRQYOPEUDSAMY-UHFFFAOYSA-N 1 3 238.375 1.724 20 0 BDADHO CN(C(=O)[C@H](N)C(C)(C)C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161062915 964509662 /nfs/dbraw/zinc/50/96/62/964509662.db2.gz LARZZJHWSFFBIC-MXWKQRLJSA-N 1 3 241.379 1.088 20 0 BDADHO C[C@H](CC[NH2+][C@H]1CS[C@H](C)C1)N(C)C ZINC000697872905 964599103 /nfs/dbraw/zinc/59/91/03/964599103.db2.gz SETARAPDQSRLIY-GMTAPVOTSA-N 1 3 216.394 1.810 20 0 BDADHO C[C@H](CCN[C@@H](C)[C@@H]1CCCO1)[NH+](C)C ZINC000697892052 964650201 /nfs/dbraw/zinc/65/02/01/964650201.db2.gz ZJQZVDWINFLJPI-WOPDTQHZSA-N 1 3 214.353 1.484 20 0 BDADHO OCC1(NC2CC[NH+](CC3CC3)CC2)CCC1 ZINC001168363383 964678473 /nfs/dbraw/zinc/67/84/73/964678473.db2.gz ZIVDONBUYBYIHW-UHFFFAOYSA-N 1 3 238.375 1.365 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(n2)CNCC3)C1 ZINC001162393958 964953470 /nfs/dbraw/zinc/95/34/70/964953470.db2.gz NXGYIJGNENSYEG-NWDGAFQWSA-N 1 3 246.358 1.409 20 0 BDADHO C[C@H]([NH3+])c1ccc(-n2nccc2CN)cc1 ZINC001162593664 965070220 /nfs/dbraw/zinc/07/02/20/965070220.db2.gz ONOPKSYGASIRLY-VIFPVBQESA-N 1 3 216.288 1.351 20 0 BDADHO CN1C[C@@H]2C[C@H]1CN2C1CC[NH+](CC2CC2)CC1 ZINC001168388013 965115950 /nfs/dbraw/zinc/11/59/50/965115950.db2.gz ZQQJWCWUXZOWPM-GJZGRUSLSA-N 1 3 249.402 1.249 20 0 BDADHO CN(C)Cc1ccnc(N(C)CC[NH+](C)C)c1 ZINC001163591113 965472945 /nfs/dbraw/zinc/47/29/45/965472945.db2.gz PNDKVXCGFORFIU-UHFFFAOYSA-N 1 3 236.363 1.141 20 0 BDADHO CN1CCC[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000714983983 965580831 /nfs/dbraw/zinc/58/08/31/965580831.db2.gz SKZZEBHWHFWMPC-GFCCVEGCSA-N 1 3 235.331 1.361 20 0 BDADHO C[C@H]1CC[C@H](C[NH3+])N(c2cc(N(C)C)ccn2)C1 ZINC001164070934 965727777 /nfs/dbraw/zinc/72/77/77/965727777.db2.gz QKWBFEHLDNSRQZ-WCQYABFASA-N 1 3 248.374 1.711 20 0 BDADHO Cc1cnc(N2C[C@@H](C)CC[C@H]2C[NH3+])cc1N ZINC001164073548 965732380 /nfs/dbraw/zinc/73/23/80/965732380.db2.gz MCNAJOZALGBSPL-ONGXEEELSA-N 1 3 234.347 1.536 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2cccc3[nH]cnc32)CC1 ZINC001205109745 965833432 /nfs/dbraw/zinc/83/34/32/965833432.db2.gz KYYVHRUZHPUGTB-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO C(C1CCCCC1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056278 965998879 /nfs/dbraw/zinc/99/88/79/965998879.db2.gz XKGOQCCUNUTHAG-AWEZNQCLSA-N 1 3 237.391 1.204 20 0 BDADHO CO[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1C ZINC000300005155 966490989 /nfs/dbraw/zinc/49/09/89/966490989.db2.gz KZCFNPJKNPMZGZ-BFHYXJOUSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715560864 967184703 /nfs/dbraw/zinc/18/47/03/967184703.db2.gz GDTCHPVFXRTYLB-GRYCIOLGSA-N 1 3 214.353 1.220 20 0 BDADHO Nc1nc2cc(-c3cncc(C[NH3+])c3)ccc2[nH]1 ZINC001239799024 967193361 /nfs/dbraw/zinc/19/33/61/967193361.db2.gz WHYRUXFIAPYKBV-UHFFFAOYSA-N 1 3 239.282 1.666 20 0 BDADHO Nc1nc2ccc(-c3cncc(C[NH3+])c3)cc2[nH]1 ZINC001239799024 967193366 /nfs/dbraw/zinc/19/33/66/967193366.db2.gz WHYRUXFIAPYKBV-UHFFFAOYSA-N 1 3 239.282 1.666 20 0 BDADHO COc1ccc(CN2CCC(C[NH3+])CC2)nc1 ZINC001205046314 967301754 /nfs/dbraw/zinc/30/17/54/967301754.db2.gz CRVRNZSCNPQNKZ-UHFFFAOYSA-N 1 3 235.331 1.261 20 0 BDADHO C[C@@H]1CC[N@H+](Cc2cncc([O-])c2)CC[C@H]1C[NH3+] ZINC001205639015 967733337 /nfs/dbraw/zinc/73/33/37/967733337.db2.gz UTDCVVVQFLZTHR-YPMHNXCESA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CC[N@@H+](Cc2cncc([O-])c2)CC[C@H]1C[NH3+] ZINC001205639015 967733340 /nfs/dbraw/zinc/73/33/40/967733340.db2.gz UTDCVVVQFLZTHR-YPMHNXCESA-N 1 3 249.358 1.594 20 0 BDADHO C[C@@H]1CCN(Cc2cc3c[nH]ccc-3n2)C[C@@H]1[NH3+] ZINC001205881368 967870050 /nfs/dbraw/zinc/87/00/50/967870050.db2.gz ZLLCYBPBYCSCJC-MFKMUULPSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]1CCN(Cc2cc3cnccc3[nH]2)C[C@@H]1[NH3+] ZINC001205881368 967870060 /nfs/dbraw/zinc/87/00/60/967870060.db2.gz ZLLCYBPBYCSCJC-MFKMUULPSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@H]1CN(Cc2nccn2C)CCC[C@@H]1C[NH3+] ZINC001205996736 967946335 /nfs/dbraw/zinc/94/63/35/967946335.db2.gz XZVSMFPHAPTWGE-NWDGAFQWSA-N 1 3 236.363 1.227 20 0 BDADHO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206163904 968104398 /nfs/dbraw/zinc/10/43/98/968104398.db2.gz HQHNESMKHWZCQD-NEPJUHHUSA-N 1 3 240.326 1.288 20 0 BDADHO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206163904 968104412 /nfs/dbraw/zinc/10/44/12/968104412.db2.gz HQHNESMKHWZCQD-NEPJUHHUSA-N 1 3 240.326 1.288 20 0 BDADHO Cc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)ccn1 ZINC001206164813 968104588 /nfs/dbraw/zinc/10/45/88/968104588.db2.gz LLJMZVQROSPNDD-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)ccn1 ZINC001206164813 968104594 /nfs/dbraw/zinc/10/45/94/968104594.db2.gz LLJMZVQROSPNDD-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO CN(C)c1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC001331821959 968251858 /nfs/dbraw/zinc/25/18/58/968251858.db2.gz OTNCYAZWYBCFQT-GJZGRUSLSA-N 1 3 247.386 1.765 20 0 BDADHO Cc1cccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206464849 968325912 /nfs/dbraw/zinc/32/59/12/968325912.db2.gz UMPDQDZEADUKIW-UONOGXRCSA-N 1 3 234.343 1.055 20 0 BDADHO C[C@H](O)CNC1CC[NH+](CC(C)(C)C)CC1 ZINC001251973981 968414975 /nfs/dbraw/zinc/41/49/75/968414975.db2.gz QHTVLNSHKYKTLV-NSHDSACASA-N 1 3 228.380 1.467 20 0 BDADHO N[C@H]1CN(CCC2CC[NH2+]CC2)CCC1(F)F ZINC001206649260 968426992 /nfs/dbraw/zinc/42/69/92/968426992.db2.gz RZSQLQHALNISMT-NSHDSACASA-N 1 3 247.333 1.044 20 0 BDADHO Cc1ncc(CN2CCC3(C[NH+](C)C3)CC2)n1C ZINC001206796170 968480823 /nfs/dbraw/zinc/48/08/23/968480823.db2.gz VYTGSVOWAGGLHM-UHFFFAOYSA-N 1 3 248.374 1.256 20 0 BDADHO C[NH+]1CCC2(CN(Cc3ccc[nH]c3=O)C2)CC1 ZINC001207009739 968547831 /nfs/dbraw/zinc/54/78/31/968547831.db2.gz YEVIKNVFPDVBPH-UHFFFAOYSA-N 1 3 247.342 1.315 20 0 BDADHO CCCC[C@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001252093977 968571430 /nfs/dbraw/zinc/57/14/30/968571430.db2.gz KWZBDDNFFUTDHO-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CCCC[C@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001252093977 968571435 /nfs/dbraw/zinc/57/14/35/968571435.db2.gz KWZBDDNFFUTDHO-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CCCC[C@H](O)C[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001252096458 968578226 /nfs/dbraw/zinc/57/82/26/968578226.db2.gz CCGDDXIOIIEQIY-MJBXVCDLSA-N 1 3 240.391 1.421 20 0 BDADHO CCCC[C@H](O)C[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001252096458 968578234 /nfs/dbraw/zinc/57/82/34/968578234.db2.gz CCGDDXIOIIEQIY-MJBXVCDLSA-N 1 3 240.391 1.421 20 0 BDADHO CCCC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001252118733 968603528 /nfs/dbraw/zinc/60/35/28/968603528.db2.gz JZJJMEJXDCZPQB-IHRRRGAJSA-N 1 3 242.407 2.000 20 0 BDADHO C[NH+]1CCC(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001207395267 968749567 /nfs/dbraw/zinc/74/95/67/968749567.db2.gz ROLFPZNOWFSEJT-RWMBFGLXSA-N 1 3 226.339 1.618 20 0 BDADHO CN1CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001207398673 968750635 /nfs/dbraw/zinc/75/06/35/968750635.db2.gz HNVSXMNQHJULSD-BETUJISGSA-N 1 3 236.359 1.239 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001207398673 968750642 /nfs/dbraw/zinc/75/06/42/968750642.db2.gz HNVSXMNQHJULSD-BETUJISGSA-N 1 3 236.359 1.239 20 0 BDADHO CC(=O)[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC001207399405 968751877 /nfs/dbraw/zinc/75/18/77/968751877.db2.gz MPNHFXOPMRCBML-ZDUSSCGKSA-N 1 3 224.348 1.239 20 0 BDADHO CC(=O)[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC001207399405 968751883 /nfs/dbraw/zinc/75/18/83/968751883.db2.gz MPNHFXOPMRCBML-ZDUSSCGKSA-N 1 3 224.348 1.239 20 0 BDADHO C[NH+]1CCC(CN2CCCCC23COC3)CC1 ZINC001207398393 968753328 /nfs/dbraw/zinc/75/33/28/968753328.db2.gz MEDXEVNVTASTJG-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO c1cnc([C@H]2CCCN2CC2CC[NH2+]CC2)nc1 ZINC001207443176 968775449 /nfs/dbraw/zinc/77/54/49/968775449.db2.gz OQGIBBNYCIPLJH-CYBMUJFWSA-N 1 3 246.358 1.613 20 0 BDADHO CCC[C@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001252789253 968965149 /nfs/dbraw/zinc/96/51/49/968965149.db2.gz OZFCNSDLDQFMOT-LBPRGKRZSA-N 1 3 226.364 1.175 20 0 BDADHO CC[NH+]1CCC(CN2CC[C@](F)(CO)C2)CC1 ZINC001208592049 969146646 /nfs/dbraw/zinc/14/66/46/969146646.db2.gz BWTQBRVPEAIREY-CYBMUJFWSA-N 1 3 244.354 1.125 20 0 BDADHO CC(C)(C)C[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384487 969149416 /nfs/dbraw/zinc/14/94/16/969149416.db2.gz VNOXMAOFDVAQLH-JTQLQIEISA-N 1 3 216.369 1.371 20 0 BDADHO CC(C)(C)CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253384487 969149420 /nfs/dbraw/zinc/14/94/20/969149420.db2.gz VNOXMAOFDVAQLH-JTQLQIEISA-N 1 3 216.369 1.371 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CCC1CCC1 ZINC001253406233 969164117 /nfs/dbraw/zinc/16/41/17/969164117.db2.gz DKAYBLRAEODGEJ-LBPRGKRZSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCC1CCC1 ZINC001253406233 969164123 /nfs/dbraw/zinc/16/41/23/969164123.db2.gz DKAYBLRAEODGEJ-LBPRGKRZSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001253411174 969166803 /nfs/dbraw/zinc/16/68/03/969166803.db2.gz DWDIJFQELLDVSE-MROQNXINSA-N 1 3 240.391 1.514 20 0 BDADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C[C@@H](O)C(C)(C)C)C2 ZINC001253731116 969354041 /nfs/dbraw/zinc/35/40/41/969354041.db2.gz LYUSOEWKBVPNFX-YRGRVCCFSA-N 1 3 240.391 1.277 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)C2 ZINC001169099157 969389981 /nfs/dbraw/zinc/38/99/81/969389981.db2.gz OHXFURQORISAIS-CLLJXQQHSA-N 1 3 247.342 1.502 20 0 BDADHO COCCCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209219134 969404712 /nfs/dbraw/zinc/40/47/12/969404712.db2.gz GYRYGNNKDZGPCL-UHFFFAOYSA-N 1 3 226.364 1.441 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1COC(C)(C)C1)C2 ZINC001169112678 969457218 /nfs/dbraw/zinc/45/72/18/969457218.db2.gz RQXKNYCOWZQRBD-LPWJVIDDSA-N 1 3 238.375 1.769 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1COC(C)(C)C1)C2 ZINC001169112678 969457226 /nfs/dbraw/zinc/45/72/26/969457226.db2.gz RQXKNYCOWZQRBD-LPWJVIDDSA-N 1 3 238.375 1.769 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CSC3)C1)C2 ZINC001169154245 969473814 /nfs/dbraw/zinc/47/38/14/969473814.db2.gz OYHCFXLPIJORKZ-ZSBIGDGJSA-N 1 3 238.400 1.660 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209430014 969502978 /nfs/dbraw/zinc/50/29/78/969502978.db2.gz IYICIFHLGUBVEF-XDQVBPFNSA-N 1 3 222.376 1.916 20 0 BDADHO CCCN1C[C@@H]2C[N@H+](C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001209430014 969502987 /nfs/dbraw/zinc/50/29/87/969502987.db2.gz IYICIFHLGUBVEF-XDQVBPFNSA-N 1 3 222.376 1.916 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254381913 969597197 /nfs/dbraw/zinc/59/71/97/969597197.db2.gz ZIIUQBHBTJLOBJ-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCOC3)C[C@@H]2C1 ZINC001254381913 969597201 /nfs/dbraw/zinc/59/72/01/969597201.db2.gz ZIIUQBHBTJLOBJ-FRRDWIJNSA-N 1 3 224.348 1.049 20 0 BDADHO C[N@@H+]1CCC[C@@H](n2ncc3c2CCNC3)CC1 ZINC001254518974 969699324 /nfs/dbraw/zinc/69/93/24/969699324.db2.gz FVRYOKFKZYSHKV-GFCCVEGCSA-N 1 3 234.347 1.186 20 0 BDADHO C[N@H+]1CCC[C@@H](n2ncc3c2CCNC3)CC1 ZINC001254518974 969699330 /nfs/dbraw/zinc/69/93/30/969699330.db2.gz FVRYOKFKZYSHKV-GFCCVEGCSA-N 1 3 234.347 1.186 20 0 BDADHO CN(C[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C)CC1 ZINC001254522580 969710106 /nfs/dbraw/zinc/71/01/06/969710106.db2.gz HKIXQACJLYXNDO-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN(C[C@@H]1CCCCO1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254522580 969710111 /nfs/dbraw/zinc/71/01/11/969710111.db2.gz HKIXQACJLYXNDO-KBPBESRZSA-N 1 3 240.391 1.972 20 0 BDADHO CN1CCC[C@H]([NH+]2CCC3(CCO3)CC2)CC1 ZINC001254526298 969718422 /nfs/dbraw/zinc/71/84/22/969718422.db2.gz QLUQZAMDVBTKCO-ZDUSSCGKSA-N 1 3 238.375 1.726 20 0 BDADHO NCc1cccc(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169568646 969765881 /nfs/dbraw/zinc/76/58/81/969765881.db2.gz FNLREHLKUZLIOO-SNVBAGLBSA-N 1 3 220.320 1.094 20 0 BDADHO Cn1cncc1NCC12CC[NH+](CC1)CC2 ZINC001169795113 969861307 /nfs/dbraw/zinc/86/13/07/969861307.db2.gz HFRSJQSJPQITDB-UHFFFAOYSA-N 1 3 220.320 1.318 20 0 BDADHO CN1CC[C@@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC001255417726 970140055 /nfs/dbraw/zinc/14/00/55/970140055.db2.gz OOLREYJBMVFDBZ-CYBMUJFWSA-N 1 3 237.391 1.297 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2CCC[N@H+](C)C2)n1 ZINC001255471833 970192233 /nfs/dbraw/zinc/19/22/33/970192233.db2.gz HUYBLKQSSORFEY-NXEZZACHSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2CCC[N@@H+](C)C2)n1 ZINC001255471833 970192236 /nfs/dbraw/zinc/19/22/36/970192236.db2.gz HUYBLKQSSORFEY-NXEZZACHSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@@H]1CC[C@H]([NH+](CCN(C)C)CCN(C)C)C1 ZINC001170145693 970434617 /nfs/dbraw/zinc/43/46/17/970434617.db2.gz VVWKHJVEAQDVSL-KGLIPLIRSA-N 1 3 241.423 1.600 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCCO ZINC001255939532 970570009 /nfs/dbraw/zinc/57/00/09/970570009.db2.gz GJCLOKFPYCQUQK-NSHDSACASA-N 1 3 202.342 1.079 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1C[C@H](O)C1(C)C ZINC001255949848 970584877 /nfs/dbraw/zinc/58/48/77/970584877.db2.gz BUDOJMOQWUPZDG-AVGNSLFASA-N 1 3 242.407 1.856 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC[C@@H](C)CO ZINC001255953360 970585749 /nfs/dbraw/zinc/58/57/49/970585749.db2.gz ZYPHVZROPPSHGP-CHWSQXEVSA-N 1 3 230.396 1.715 20 0 BDADHO NCc1cncn1C1CC[NH+](C2CC2)CC1 ZINC001256066419 970630948 /nfs/dbraw/zinc/63/09/48/970630948.db2.gz BKKFDHQHBPDNOZ-UHFFFAOYSA-N 1 3 220.320 1.141 20 0 BDADHO CN1CCC([NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC001256198746 970692963 /nfs/dbraw/zinc/69/29/63/970692963.db2.gz SWTRGEUPTVYDLD-AWEZNQCLSA-N 1 3 237.391 1.155 20 0 BDADHO C[NH+]1CCC(N2CCC[C@H](n3ccnn3)C2)CC1 ZINC001256209220 970712779 /nfs/dbraw/zinc/71/27/79/970712779.db2.gz PJYURKYLEHZJCQ-ZDUSSCGKSA-N 1 3 249.362 1.009 20 0 BDADHO CO[C@@H](C)C1CN(C2CC[NH+](C)CC2)C1 ZINC001256211487 970719391 /nfs/dbraw/zinc/71/93/91/970719391.db2.gz YIMOTUQXFOCMPS-JTQLQIEISA-N 1 3 212.337 1.047 20 0 BDADHO [NH3+][C@@H]1CCCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001246550967 972722020 /nfs/dbraw/zinc/72/20/20/972722020.db2.gz ZNIUGIKXECLFAR-IJLUTSLNSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@@H]1CCC[N@@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001246550967 972722038 /nfs/dbraw/zinc/72/20/38/972722038.db2.gz ZNIUGIKXECLFAR-IJLUTSLNSA-N 1 3 236.359 1.557 20 0 BDADHO N[C@@H]1CCC[N@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001246550967 972722044 /nfs/dbraw/zinc/72/20/44/972722044.db2.gz ZNIUGIKXECLFAR-IJLUTSLNSA-N 1 3 236.359 1.557 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)CCN1 ZINC001246552780 972737823 /nfs/dbraw/zinc/73/78/23/972737823.db2.gz VEVBGGIMLQNCJZ-DGAVXFQQSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@H](C)[C@@](C)(O)CC2)CCN1 ZINC001246552780 972737843 /nfs/dbraw/zinc/73/78/43/972737843.db2.gz VEVBGGIMLQNCJZ-DGAVXFQQSA-N 1 3 240.391 1.610 20 0 BDADHO COC(=O)CCCC[C@H](C)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001246568891 972826623 /nfs/dbraw/zinc/82/66/23/972826623.db2.gz SUFKVGFAVDXRJW-GRYCIOLGSA-N 1 3 242.363 1.387 20 0 BDADHO CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579873 972914321 /nfs/dbraw/zinc/91/43/21/972914321.db2.gz HMMUSGYRGBYLFM-MROQNXINSA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579873 972914327 /nfs/dbraw/zinc/91/43/27/972914327.db2.gz HMMUSGYRGBYLFM-MROQNXINSA-N 1 3 228.380 1.453 20 0 BDADHO CC1(C)CCC[C@H]([N@@H+]2C[C@H](O)[C@@H](CN)C2)C1 ZINC001246586955 972981840 /nfs/dbraw/zinc/98/18/40/972981840.db2.gz UWFWWDCRMNCIBR-SRVKXCTJSA-N 1 3 226.364 1.207 20 0 BDADHO CC1(C)CCC[C@H]([N@H+]2C[C@H](O)[C@@H](CN)C2)C1 ZINC001246586955 972981863 /nfs/dbraw/zinc/98/18/63/972981863.db2.gz UWFWWDCRMNCIBR-SRVKXCTJSA-N 1 3 226.364 1.207 20 0 BDADHO COC(=O)[C@H]1CCC[N@H+](C2CCNCC2)[C@H]1C ZINC001246825095 973118410 /nfs/dbraw/zinc/11/84/10/973118410.db2.gz UCJVQJKUDVHCJW-JQWIXIFHSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)[C@H]1C ZINC001246825095 973118421 /nfs/dbraw/zinc/11/84/21/973118421.db2.gz UCJVQJKUDVHCJW-JQWIXIFHSA-N 1 3 240.347 1.012 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN[C@H](C)C1 ZINC001246875725 973307772 /nfs/dbraw/zinc/30/77/72/973307772.db2.gz LIWMOJBHNZBWTM-RQICVUQASA-N 1 3 238.375 1.769 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN[C@H](C)C1 ZINC001246875725 973307791 /nfs/dbraw/zinc/30/77/91/973307791.db2.gz LIWMOJBHNZBWTM-RQICVUQASA-N 1 3 238.375 1.769 20 0 BDADHO C[N@H+](CCO)C1CCN(C(C)(C)C)CC1 ZINC001246914014 973444211 /nfs/dbraw/zinc/44/42/11/973444211.db2.gz RUYMDNSXIJAOMJ-UHFFFAOYSA-N 1 3 214.353 1.173 20 0 BDADHO C[N@@H+](CCO)C1CCN(C(C)(C)C)CC1 ZINC001246914014 973444217 /nfs/dbraw/zinc/44/42/17/973444217.db2.gz RUYMDNSXIJAOMJ-UHFFFAOYSA-N 1 3 214.353 1.173 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1(C)C ZINC000234858806 973777874 /nfs/dbraw/zinc/77/78/74/973777874.db2.gz JOUPHPIVWJOOLU-FVCCEPFGSA-N 1 3 240.391 1.907 20 0 BDADHO C/C=C(\NC=[NH2+])NC(=N)c1cccnc1Cl ZINC001171347067 973932594 /nfs/dbraw/zinc/93/25/94/973932594.db2.gz QJBWPPONVDNNMG-KRXBUXKQSA-N 1 3 237.694 1.708 20 0 BDADHO N[C@@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152797 974226854 /nfs/dbraw/zinc/22/68/54/974226854.db2.gz AWUXWEBDQYYLDZ-CHWSQXEVSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@H]1F ZINC001206152797 974226866 /nfs/dbraw/zinc/22/68/66/974226866.db2.gz AWUXWEBDQYYLDZ-CHWSQXEVSA-N 1 3 238.306 1.653 20 0 BDADHO N[C@H]1CC[N@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152800 974231380 /nfs/dbraw/zinc/23/13/80/974231380.db2.gz AWUXWEBDQYYLDZ-STQMWFEESA-N 1 3 238.306 1.653 20 0 BDADHO N[C@H]1CC[N@@H+](Cc2cccc(O)c2)CC[C@@H]1F ZINC001206152800 974231397 /nfs/dbraw/zinc/23/13/97/974231397.db2.gz AWUXWEBDQYYLDZ-STQMWFEESA-N 1 3 238.306 1.653 20 0 BDADHO CN1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172126880 974352813 /nfs/dbraw/zinc/35/28/13/974352813.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 1 3 249.402 1.390 20 0 BDADHO CN1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172126880 974352824 /nfs/dbraw/zinc/35/28/24/974352824.db2.gz ZCYCRIOTUDWTNY-AICCOOGYSA-N 1 3 249.402 1.390 20 0 BDADHO CC[NH+]1CCC(N(C)[C@H]2COC(C)(C)C2)CC1 ZINC001172287599 974551304 /nfs/dbraw/zinc/55/13/04/974551304.db2.gz YESFZKQBMFHLDV-CYBMUJFWSA-N 1 3 240.391 1.970 20 0 BDADHO CC(C)OCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001172439529 974794989 /nfs/dbraw/zinc/79/49/89/974794989.db2.gz FEYGSTPYWSIBRY-WDEREUQCSA-N 1 3 202.342 1.374 20 0 BDADHO CCN1CC[C@@H]([NH2+]C(C)(C)CCN(C)C)C1 ZINC001173355716 975309703 /nfs/dbraw/zinc/30/97/03/975309703.db2.gz UTKGWRGXSPEARF-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CC[N@@H+]1CC[C@@H](N2CCN3CCCC[C@@H]3C2)C1 ZINC001173362430 975337561 /nfs/dbraw/zinc/33/75/61/975337561.db2.gz HBQUPSOPLBNRDG-ZIAGYGMSSA-N 1 3 237.391 1.251 20 0 BDADHO CC[N@H+]1CC[C@@H](N2CCN3CCCC[C@@H]3C2)C1 ZINC001173362430 975337568 /nfs/dbraw/zinc/33/75/68/975337568.db2.gz HBQUPSOPLBNRDG-ZIAGYGMSSA-N 1 3 237.391 1.251 20 0 BDADHO COC(=O)CCCC[C@H](C)[NH2+]C[C@H](C)CN ZINC001173446500 975389285 /nfs/dbraw/zinc/38/92/85/975389285.db2.gz WDIZMMFUBVTFDQ-MNOVXSKESA-N 1 3 230.352 1.293 20 0 BDADHO C[C@H](N)C[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164012 975527993 /nfs/dbraw/zinc/52/79/93/975527993.db2.gz ZGZDMSOQPQRPBT-WDEREUQCSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@H](N)C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164012 975528004 /nfs/dbraw/zinc/52/80/04/975528004.db2.gz ZGZDMSOQPQRPBT-WDEREUQCSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@@H]([NH2+]CCCN1CCCC1)C(C)(C)CO ZINC001333555827 975847009 /nfs/dbraw/zinc/84/70/09/975847009.db2.gz ROZXEHXOYLVPTB-GFCCVEGCSA-N 1 3 228.380 1.469 20 0 BDADHO CC[N@@H+]1CCC[C@H](CNc2ccncc2CO)C1 ZINC001333645280 975926844 /nfs/dbraw/zinc/92/68/44/975926844.db2.gz DSHWCLPJLMPSPF-GFCCVEGCSA-N 1 3 249.358 1.140 20 0 BDADHO CC[N@H+]1CCC[C@H](CNc2ccncc2CO)C1 ZINC001333645280 975926855 /nfs/dbraw/zinc/92/68/55/975926855.db2.gz DSHWCLPJLMPSPF-GFCCVEGCSA-N 1 3 249.358 1.140 20 0 BDADHO C[NH+](C)[C@H]1C[C@H](NCC2(O)CCC2)C1(C)C ZINC001335520784 977113577 /nfs/dbraw/zinc/11/35/77/977113577.db2.gz VMDVKARDINQISE-QWRGUYRKSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@@H](O)C1CC1 ZINC001335930574 977369211 /nfs/dbraw/zinc/36/92/11/977369211.db2.gz VEDGFGRYZUBFKH-GXTWGEPZSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H]1CCCC[N@H+]1CCCNC[C@@H](O)C1CC1 ZINC001335930574 977369215 /nfs/dbraw/zinc/36/92/15/977369215.db2.gz VEDGFGRYZUBFKH-GXTWGEPZSA-N 1 3 240.391 1.611 20 0 BDADHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H](O)C1CC1 ZINC001335930574 977369223 /nfs/dbraw/zinc/36/92/23/977369223.db2.gz VEDGFGRYZUBFKH-GXTWGEPZSA-N 1 3 240.391 1.611 20 0 BDADHO C[NH+](C)C1(C)CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001232016195 977845224 /nfs/dbraw/zinc/84/52/24/977845224.db2.gz UJZYUCZHQPIJEE-UHFFFAOYSA-N 1 3 244.342 1.699 20 0 BDADHO Cc1nc(CN2CCC3(C[NH+](C)C3)CC2)c[nH]1 ZINC001232465179 978113721 /nfs/dbraw/zinc/11/37/21/978113721.db2.gz XKNZXWIWPVEBSY-UHFFFAOYSA-N 1 3 234.347 1.246 20 0 BDADHO [NH3+]C1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001337804650 978504630 /nfs/dbraw/zinc/50/46/30/978504630.db2.gz DUMCAFIEBWQIAM-GFCCVEGCSA-N 1 3 236.746 1.888 20 0 BDADHO CCOCC[NH+]1CCC2(CN(C)C2)CC1 ZINC001277856190 978834104 /nfs/dbraw/zinc/83/41/04/978834104.db2.gz HYQSTBKZETYFDM-UHFFFAOYSA-N 1 3 212.337 1.051 20 0 BDADHO OCCCCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235041447 978958942 /nfs/dbraw/zinc/95/89/42/978958942.db2.gz QIKUSFZRZWPUCS-ZDUSSCGKSA-N 1 3 226.364 1.367 20 0 BDADHO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc3c[nH]ccc-3n2)C1 ZINC001206437478 978970196 /nfs/dbraw/zinc/97/01/96/978970196.db2.gz WCUARTLVPUKJIW-WDEREUQCSA-N 1 3 248.305 1.434 20 0 BDADHO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc3cnccc3[nH]2)C1 ZINC001206437478 978970200 /nfs/dbraw/zinc/97/02/00/978970200.db2.gz WCUARTLVPUKJIW-WDEREUQCSA-N 1 3 248.305 1.434 20 0 BDADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3CC[NH3+])o1 ZINC001235491899 979055218 /nfs/dbraw/zinc/05/52/18/979055218.db2.gz SDHPHXFRLFOMGD-KGLIPLIRSA-N 1 3 249.358 1.195 20 0 BDADHO C[C@H](C[N@@H+]1C[C@@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206454237 979132521 /nfs/dbraw/zinc/13/25/21/979132521.db2.gz CKTICMCSWGAUAK-KWCYVHTRSA-N 1 3 234.343 1.042 20 0 BDADHO C[C@H](C[N@H+]1C[C@@H](O)[C@@H](CN)C1)c1ccccc1 ZINC001206454237 979132529 /nfs/dbraw/zinc/13/25/29/979132529.db2.gz CKTICMCSWGAUAK-KWCYVHTRSA-N 1 3 234.343 1.042 20 0 BDADHO C[NH2+]CCCC(=O)Nc1cccc2c1CNC2 ZINC001340881931 979138513 /nfs/dbraw/zinc/13/85/13/979138513.db2.gz QNALFLHMGYFASM-UHFFFAOYSA-N 1 3 233.315 1.228 20 0 BDADHO COC(C)(C)[C@H]1CCCN1C[C@H](C)[NH3+] ZINC001235827842 979152836 /nfs/dbraw/zinc/15/28/36/979152836.db2.gz RCPBRFOTBHPJSM-VHSXEESVSA-N 1 3 200.326 1.223 20 0 BDADHO CC[C@@H]([NH2+]C)C(=O)Nc1cccc2c1CNC2 ZINC001340994592 979188552 /nfs/dbraw/zinc/18/85/52/979188552.db2.gz MNZABLNRAQEOGY-LLVKDONJSA-N 1 3 233.315 1.226 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001342161765 979684180 /nfs/dbraw/zinc/68/41/80/979684180.db2.gz YRGQPECMSUKHGD-YFKTTZPYSA-N 1 3 241.379 1.088 20 0 BDADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc[nH]c2=O)C1 ZINC001206549652 979700714 /nfs/dbraw/zinc/70/07/14/979700714.db2.gz POFZAENXFPLJFV-AWEZNQCLSA-N 1 3 249.358 1.738 20 0 BDADHO CCC(=O)C(C)(C)C[N@H+](C)C[C@@H](N)CC ZINC001236859150 979765185 /nfs/dbraw/zinc/76/51/85/979765185.db2.gz IFURNAJZYHSFJO-JTQLQIEISA-N 1 3 214.353 1.661 20 0 BDADHO CCC(=O)C(C)(C)C[N@@H+](C)C[C@@H](N)CC ZINC001236859150 979765181 /nfs/dbraw/zinc/76/51/81/979765181.db2.gz IFURNAJZYHSFJO-JTQLQIEISA-N 1 3 214.353 1.661 20 0 BDADHO C[C@]1([NH3+])CCCN(Cc2cc[nH]c(=O)c2)CC1 ZINC001205264278 979810641 /nfs/dbraw/zinc/81/06/41/979810641.db2.gz IUIKZSFGSJUBCZ-ZDUSSCGKSA-N 1 3 235.331 1.491 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001237457621 979901659 /nfs/dbraw/zinc/90/16/59/979901659.db2.gz YEDSVAZYOZFXPL-AVGNSLFASA-N 1 3 243.370 1.232 20 0 BDADHO O[C@]1(CN[C@@H]2CCC23CCCC3)CC[NH2+]C1 ZINC001580880739 981690596 /nfs/dbraw/zinc/69/05/96/981690596.db2.gz XDTGQRKXWSHPDS-DGCLKSJQSA-N 1 3 224.348 1.023 20 0 BDADHO COC1(C[NH2+]C[C@H]2CCCCN(C)C2)CCC1 ZINC001352874602 982613875 /nfs/dbraw/zinc/61/38/75/982613875.db2.gz ANBLYCBXZHVBBS-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CCC[N@@H+]1CC[C@H]2[C@H]1CCN2CCN(C)C ZINC001201642425 983399414 /nfs/dbraw/zinc/39/94/14/983399414.db2.gz YCJPAHYCHNRTAC-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO CCC[N@H+]1CC[C@H]2[C@H]1CCN2CCN(C)C ZINC001201642425 983399423 /nfs/dbraw/zinc/39/94/23/983399423.db2.gz YCJPAHYCHNRTAC-OLZOCXBDSA-N 1 3 225.380 1.107 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc[nH]n3)C[C@@H]2C1 ZINC001355374931 983481740 /nfs/dbraw/zinc/48/17/40/983481740.db2.gz WCNKMRYJLALQRJ-SGMGOOAPSA-N 1 3 248.374 1.572 20 0 BDADHO COCC[C@H]([NH3+])CN[C@H]1C[C@@](C)(OC)C1(C)C ZINC001579001569 984246518 /nfs/dbraw/zinc/24/65/18/984246518.db2.gz JIPLAFKQQHZILB-GMXVVIOVSA-N 1 3 244.379 1.143 20 0 BDADHO CC[N@H+](C1CCOCC1)[C@@H]1CCN[C@H](C)C1 ZINC000716444049 984367552 /nfs/dbraw/zinc/36/75/52/984367552.db2.gz TULYSDCXXGUVLI-DGCLKSJQSA-N 1 3 226.364 1.628 20 0 BDADHO CC[N@@H+](C1CCOCC1)[C@@H]1CCN[C@H](C)C1 ZINC000716444049 984367559 /nfs/dbraw/zinc/36/75/59/984367559.db2.gz TULYSDCXXGUVLI-DGCLKSJQSA-N 1 3 226.364 1.628 20 0 BDADHO CC[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001275309514 984534219 /nfs/dbraw/zinc/53/42/19/984534219.db2.gz APXUGHPEMYQBQY-NSHDSACASA-N 1 3 243.395 1.079 20 0 BDADHO CC[N@H+](CC[C@@H](O)C(C)C)C1CCNCC1 ZINC001577710833 984647524 /nfs/dbraw/zinc/64/75/24/984647524.db2.gz CRDIWZNBXKPQOY-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CC[N@@H+](CC[C@@H](O)C(C)C)C1CCNCC1 ZINC001577710833 984647551 /nfs/dbraw/zinc/64/75/51/984647551.db2.gz CRDIWZNBXKPQOY-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC[C@@H](O)C(C)C)C1CC[NH2+]CC1 ZINC001577710833 984647569 /nfs/dbraw/zinc/64/75/69/984647569.db2.gz CRDIWZNBXKPQOY-CYBMUJFWSA-N 1 3 228.380 1.467 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093276 984846561 /nfs/dbraw/zinc/84/65/61/984846561.db2.gz GORUZEDORXTPCM-KXNHARMFSA-N 1 3 224.348 1.413 20 0 BDADHO CCOC(=O)[C@H]1CC[C@@H](NC(C)(C)C[NH3+])C1 ZINC001257034655 984846842 /nfs/dbraw/zinc/84/68/42/984846842.db2.gz XSBCYLKHYPCFGZ-VHSXEESVSA-N 1 3 228.336 1.045 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)[C@H]1OC ZINC001578148907 984854855 /nfs/dbraw/zinc/85/48/55/984854855.db2.gz NQBGFSOIQYGMRQ-UJPOAAIJSA-N 1 3 242.363 1.038 20 0 BDADHO CCC[C@H](CC)[NH+](CCN(C)C)CCN(C)C ZINC001257262585 984861503 /nfs/dbraw/zinc/86/15/03/984861503.db2.gz CRUVPQATRVGFHD-AWEZNQCLSA-N 1 3 243.439 1.990 20 0 BDADHO CN(C)C1(C(=O)NCCC(C)(C)[NH3+])CCCC1 ZINC001578409374 985044459 /nfs/dbraw/zinc/04/44/59/985044459.db2.gz XQODZITVNOUMPE-UHFFFAOYSA-N 1 3 241.379 1.104 20 0 BDADHO O[C@H](CN1CCC2(CC2)CC1)C[NH+]1CCCC1 ZINC000686607208 985154130 /nfs/dbraw/zinc/15/41/30/985154130.db2.gz QPPBAKCVTAOQAF-ZDUSSCGKSA-N 1 3 238.375 1.319 20 0 BDADHO CN1CCC[C@@H]1C[NH2+]C[C@@H](N)CCC(C)(C)C ZINC001578530215 985155576 /nfs/dbraw/zinc/15/55/76/985155576.db2.gz BYYRSXQVFYJPDR-QWHCGFSZSA-N 1 3 241.423 1.824 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H](C)CC(C)(C)CC(=O)OC ZINC001578638546 985245973 /nfs/dbraw/zinc/24/59/73/985245973.db2.gz PGTFEWIHKQQGLX-QWRGUYRKSA-N 1 3 244.379 1.552 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@H](C)CC(C)(C)CC(=O)OC ZINC001578638544 985248984 /nfs/dbraw/zinc/24/89/84/985248984.db2.gz PGTFEWIHKQQGLX-GHMZBOCLSA-N 1 3 244.379 1.552 20 0 BDADHO C[NH2+]C[C@H](O)CN(C)C[C@@H]1CCCC[C@H]1C ZINC001578652174 985256301 /nfs/dbraw/zinc/25/63/01/985256301.db2.gz FWYVCEYMVVEWSW-AGIUHOORSA-N 1 3 228.380 1.325 20 0 BDADHO C[NH2+]C[C@@H](O)CN(C)CC1CCCCCC1 ZINC001578651982 985264449 /nfs/dbraw/zinc/26/44/49/985264449.db2.gz CGNRRPLPXVMPGE-CYBMUJFWSA-N 1 3 228.380 1.469 20 0 BDADHO C[NH2+]CC[C@@H]1CCCCN1C[C@@H](O)CSC ZINC001578677184 985291828 /nfs/dbraw/zinc/29/18/28/985291828.db2.gz YNGPPRDAFJNLIQ-NWDGAFQWSA-N 1 3 246.420 1.174 20 0 BDADHO COC(=O)CC1CCC([NH2+][C@H]2C[C@@H](N)C2)CC1 ZINC001578803742 985375136 /nfs/dbraw/zinc/37/51/36/985375136.db2.gz YIEGWPSJVJUDEH-NGMURSQQSA-N 1 3 240.347 1.188 20 0 BDADHO CCOC(=O)CCC[C@@H](C)[NH2+]C[C@@H](C)CN ZINC001258113603 985422274 /nfs/dbraw/zinc/42/22/74/985422274.db2.gz WTFYIANTQHUOGH-WDEREUQCSA-N 1 3 230.352 1.293 20 0 BDADHO CO[C@@H](C)CNC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001578900965 985489811 /nfs/dbraw/zinc/48/98/11/985489811.db2.gz ITMGQJPHUNPZSJ-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO CO[C@H](CN1CC[C@@H]2CC[C@]21C[NH3+])C1CC1 ZINC001578908635 985504073 /nfs/dbraw/zinc/50/40/73/985504073.db2.gz BTZUPFODQLBBJK-XQQFMLRXSA-N 1 3 224.348 1.225 20 0 BDADHO C(=C/C1CC[NH2+]CC1)\c1ccc2c(n1)CNCC2 ZINC001243895224 985579903 /nfs/dbraw/zinc/57/99/03/985579903.db2.gz WBXHRHHGBUEDGB-HNQUOIGGSA-N 1 3 243.354 1.740 20 0 BDADHO COCC[C@@H](N)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001579002722 985654863 /nfs/dbraw/zinc/65/48/63/985654863.db2.gz SWWDGERBSQPFRU-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO COCC[C@@H](N)C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001579002722 985654872 /nfs/dbraw/zinc/65/48/72/985654872.db2.gz SWWDGERBSQPFRU-IJLUTSLNSA-N 1 3 212.337 1.225 20 0 BDADHO COCC[C@H]([NH3+])CNC[C@H](C)c1ccccn1 ZINC001579003061 985664412 /nfs/dbraw/zinc/66/44/12/985664412.db2.gz XISIKYNTZVQJFC-RYUDHWBXSA-N 1 3 237.347 1.139 20 0 BDADHO COCC[C@@H](N)C[NH2+]Cc1ccc(OC)cc1 ZINC001579004982 985669352 /nfs/dbraw/zinc/66/93/52/985669352.db2.gz ZEVFKUBYJMPETI-GFCCVEGCSA-N 1 3 238.331 1.149 20 0 BDADHO CSCC[N@@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001579374955 985864702 /nfs/dbraw/zinc/86/47/02/985864702.db2.gz ZVIXDOYDHIEZOT-VXGBXAGGSA-N 1 3 228.405 1.800 20 0 BDADHO CSCC[N@H+]1C[C@H]2CCCC[C@@]2(CN)C1 ZINC001579374955 985864709 /nfs/dbraw/zinc/86/47/09/985864709.db2.gz ZVIXDOYDHIEZOT-VXGBXAGGSA-N 1 3 228.405 1.800 20 0 BDADHO NC[C@H]1CCCC[N@H+](CCCn2cccn2)C1 ZINC001206606365 985899641 /nfs/dbraw/zinc/89/96/41/985899641.db2.gz LWISGAYNSLNYOL-CYBMUJFWSA-N 1 3 236.363 1.334 20 0 BDADHO NC[C@H]1CCCC[N@@H+](CCCn2cccn2)C1 ZINC001206606365 985899652 /nfs/dbraw/zinc/89/96/52/985899652.db2.gz LWISGAYNSLNYOL-CYBMUJFWSA-N 1 3 236.363 1.334 20 0 BDADHO Cc1cc(CN(C)CC2CC[NH2+]CC2)ncn1 ZINC001579593064 986105281 /nfs/dbraw/zinc/10/52/81/986105281.db2.gz UCFNOOGCJCWQRJ-UHFFFAOYSA-N 1 3 234.347 1.216 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@H]21 ZINC001461829135 986197184 /nfs/dbraw/zinc/19/71/84/986197184.db2.gz KTWUGHDCQMHURJ-YNEHKIRRSA-N 1 3 240.391 1.589 20 0 BDADHO Cc1cccc(C[C@@H](C)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001579759529 986207639 /nfs/dbraw/zinc/20/76/39/986207639.db2.gz LXVWQNUVDKTYDH-BPLDGKMQSA-N 1 3 248.370 1.096 20 0 BDADHO CC[C@H](C)C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001462638350 986480988 /nfs/dbraw/zinc/48/09/88/986480988.db2.gz YGGFNQSMYIDLGP-AAEUAGOBSA-N 1 3 210.365 1.964 20 0 BDADHO N[C@@H](C[NH2+][C@@H]1CCCC[C@H]1F)CC(F)F ZINC001580131578 986603199 /nfs/dbraw/zinc/60/31/99/986603199.db2.gz FMIDGDLWBPFEPB-IWSPIJDZSA-N 1 3 224.270 1.839 20 0 BDADHO [NH3+]C1CC2(C1)CC(N[C@@H]1CCn3ccnc31)C2 ZINC001580167009 986640925 /nfs/dbraw/zinc/64/09/25/986640925.db2.gz ZJWSMSKTIBCJHA-XPOXDWOYSA-N 1 3 232.331 1.187 20 0 BDADHO CN1CCC[C@H]([NH+]2CC3(CSC3)C2)CC1 ZINC001254529029 986674052 /nfs/dbraw/zinc/67/40/52/986674052.db2.gz BYKBTYCKCIFRQM-NSHDSACASA-N 1 3 226.389 1.520 20 0 BDADHO NCC1(C[NH2+][C@@H](CCO)C2CCCC2)CCC1 ZINC001580244120 986697625 /nfs/dbraw/zinc/69/76/25/986697625.db2.gz PQZYQLPSOASDTA-ZDUSSCGKSA-N 1 3 240.391 1.646 20 0 BDADHO CN(C)[C@H]1CC[N@@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254853873 986730903 /nfs/dbraw/zinc/73/09/03/986730903.db2.gz SYHDMBAOPLKMGU-UONOGXRCSA-N 1 3 237.391 1.107 20 0 BDADHO CN(C)[C@H]1CC[N@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254853873 986730918 /nfs/dbraw/zinc/73/09/18/986730918.db2.gz SYHDMBAOPLKMGU-UONOGXRCSA-N 1 3 237.391 1.107 20 0 BDADHO CN(C)[C@H]1CC[N@@H+]([C@H]2CC3CCN(CC3)C2)C1 ZINC001254853872 986733433 /nfs/dbraw/zinc/73/34/33/986733433.db2.gz SYHDMBAOPLKMGU-KBPBESRZSA-N 1 3 237.391 1.107 20 0 BDADHO CN(C)[C@H]1CC[N@H+]([C@H]2CC3CCN(CC3)C2)C1 ZINC001254853872 986733441 /nfs/dbraw/zinc/73/34/41/986733441.db2.gz SYHDMBAOPLKMGU-KBPBESRZSA-N 1 3 237.391 1.107 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580430787 986847494 /nfs/dbraw/zinc/84/74/94/986847494.db2.gz ZPOXHQZKSCVOSD-VLJOUNFMSA-N 1 3 236.359 1.413 20 0 BDADHO [NH3+][C@H]1C[C@H](N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC001580430787 986847496 /nfs/dbraw/zinc/84/74/96/986847496.db2.gz ZPOXHQZKSCVOSD-VLJOUNFMSA-N 1 3 236.359 1.413 20 0 BDADHO CCC[C@H](O)CNC[C@H]1CCC[NH2+][C@@H]1C ZINC001245981548 987256313 /nfs/dbraw/zinc/25/63/13/987256313.db2.gz HZPXYOZOVRYYHB-UTUOFQBUSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC001245999675 987287361 /nfs/dbraw/zinc/28/73/61/987287361.db2.gz BZEHMDDYAURORH-OLZOCXBDSA-N 1 3 222.332 1.221 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CCN1 ZINC001246073236 987359481 /nfs/dbraw/zinc/35/94/81/987359481.db2.gz RSDLDCLGUIFKNF-BJDJZHNGSA-N 1 3 212.337 1.020 20 0 BDADHO CCOC(=O)CC[C@H](C)NC1CC[NH2+]CC1 ZINC001246077736 987368041 /nfs/dbraw/zinc/36/80/41/987368041.db2.gz KAVWODJHYBFHOY-JTQLQIEISA-N 1 3 228.336 1.060 20 0 BDADHO CCOC(=O)CC[C@H](C)[NH2+]C1CCNCC1 ZINC001246077736 987368046 /nfs/dbraw/zinc/36/80/46/987368046.db2.gz KAVWODJHYBFHOY-JTQLQIEISA-N 1 3 228.336 1.060 20 0 BDADHO C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000699314181 987372908 /nfs/dbraw/zinc/37/29/08/987372908.db2.gz IUIALRAWVUTQQA-WODVXLOZSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CCN1 ZINC001246090741 987396555 /nfs/dbraw/zinc/39/65/55/987396555.db2.gz YQISGFPRSHYVQF-QCNOEVLYSA-N 1 3 214.328 1.997 20 0 BDADHO CC(C)COCC[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246096824 987409364 /nfs/dbraw/zinc/40/93/64/987409364.db2.gz MWGLYBDRFOKHJZ-RWMBFGLXSA-N 1 3 246.370 1.727 20 0 BDADHO C[C@@H](Cc1ccccn1)NC[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001246099671 987419541 /nfs/dbraw/zinc/41/95/41/987419541.db2.gz MHGKPVFXXNFLMN-IHRRRGAJSA-N 1 3 247.386 1.848 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCN(C)C2)[NH2+]C1 ZINC001246111286 987444827 /nfs/dbraw/zinc/44/48/27/987444827.db2.gz JATSZAKHKONSFN-JHJVBQTASA-N 1 3 225.380 1.058 20 0 BDADHO C[C@@H](N)c1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC001246121887 987467357 /nfs/dbraw/zinc/46/73/57/987467357.db2.gz UYTBTCKRFYUYIB-GHMZBOCLSA-N 1 3 244.342 1.981 20 0 BDADHO CC1CCC([NH2+][C@H]2CNCC23CC3)CC1 ZINC001246135806 987486644 /nfs/dbraw/zinc/48/66/44/987486644.db2.gz VOBZQYOATFOSOG-MCIGGMRASA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@H](C[C@@H](C)CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134593 987486886 /nfs/dbraw/zinc/48/68/86/987486886.db2.gz NUDOHTPFSHYQBS-RYMFRWLXSA-N 1 3 240.391 1.778 20 0 BDADHO CCCC[C@@H](CCC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246135933 987493668 /nfs/dbraw/zinc/49/36/68/987493668.db2.gz SSRXLSSHLIYNLR-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCC(=O)OC(C)(C)C)CN1 ZINC001246155766 987516435 /nfs/dbraw/zinc/51/64/35/987516435.db2.gz XMKFBCXHYSYGRS-MNOVXSKESA-N 1 3 242.363 1.448 20 0 BDADHO NCc1c(F)cccc1NC1CC[NH2+]CC1 ZINC001246169750 987533957 /nfs/dbraw/zinc/53/39/57/987533957.db2.gz JRDJGCOJZVXSKX-UHFFFAOYSA-N 1 3 223.295 1.448 20 0 BDADHO C[C@H]1C[C@@H](Nc2cccc(F)c2CN)CC[NH2+]1 ZINC001246173818 987538130 /nfs/dbraw/zinc/53/81/30/987538130.db2.gz VTUTWHIRYGSFSZ-UWVGGRQHSA-N 1 3 237.322 1.837 20 0 BDADHO C[C@@H]1CC[C@@H](Nc2cccc(F)c2CN)C[NH2+]1 ZINC001246175436 987541857 /nfs/dbraw/zinc/54/18/57/987541857.db2.gz ZFWQODIUROUHGA-NXEZZACHSA-N 1 3 237.322 1.837 20 0 BDADHO CCOC(=O)C[C@@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246194028 987583103 /nfs/dbraw/zinc/58/31/03/987583103.db2.gz QBTJGLFBYJZIPI-GMTAPVOTSA-N 1 3 228.336 1.058 20 0 BDADHO C[C@H]1C[C@@H](NCC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197206 987589994 /nfs/dbraw/zinc/58/99/94/987589994.db2.gz ZJCIKRYAXOSANI-RYUDHWBXSA-N 1 3 248.374 1.484 20 0 BDADHO COC(=O)CCCCC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246203004 987598808 /nfs/dbraw/zinc/59/88/08/987598808.db2.gz UXAPPCVZCYRNEK-VXGBXAGGSA-N 1 3 242.363 1.450 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](F)C2)CCN1 ZINC001246216826 987614720 /nfs/dbraw/zinc/61/47/20/987614720.db2.gz IYRNZLDJNGYRBY-XWLWVQCSSA-N 1 3 200.301 1.465 20 0 BDADHO OCC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246202586 987599542 /nfs/dbraw/zinc/59/95/42/987599542.db2.gz JYYIVXIYNNXLKQ-FOSCPWQOSA-N 1 3 224.348 1.164 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)CCN1 ZINC001246218103 987618309 /nfs/dbraw/zinc/61/83/09/987618309.db2.gz LHVKJBGWSDHBDT-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[Si](C)(C)C)CCN1 ZINC001246265524 987659852 /nfs/dbraw/zinc/65/98/52/987659852.db2.gz HULQKPPLNXKXTO-NXEZZACHSA-N 1 3 200.402 1.594 20 0 BDADHO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)NC2)C1 ZINC001246266811 987662232 /nfs/dbraw/zinc/66/22/32/987662232.db2.gz PUIBRWPEFSZZSE-WYUUTHIRSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@H]1CC[C@H](NC23CCC(O)(CC2)CC3)C[NH2+]1 ZINC001246266778 987663302 /nfs/dbraw/zinc/66/33/02/987663302.db2.gz PNVMYQIRBNGVPP-FEPKRQSRSA-N 1 3 238.375 1.554 20 0 BDADHO CCOC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C)NC2)C1 ZINC001246266809 987663738 /nfs/dbraw/zinc/66/37/38/987663738.db2.gz PUIBRWPEFSZZSE-NNYUYHANSA-N 1 3 240.347 1.058 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(=O)C2)CCN1 ZINC001246308351 987707553 /nfs/dbraw/zinc/70/75/53/987707553.db2.gz PYWYGCUXPFRMAO-GMTAPVOTSA-N 1 3 210.321 1.228 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCCC(=O)C2)CC[NH2+]1 ZINC001246308351 987707563 /nfs/dbraw/zinc/70/75/63/987707563.db2.gz PYWYGCUXPFRMAO-GMTAPVOTSA-N 1 3 210.321 1.228 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccncc1 ZINC001246312133 987717586 /nfs/dbraw/zinc/71/75/86/987717586.db2.gz GCQYYGVXCWHUAM-CMPLNLGQSA-N 1 3 207.321 1.340 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001246312092 987717666 /nfs/dbraw/zinc/71/76/66/987717666.db2.gz FPOGXOITVCTBDU-OUAUKWLOSA-N 1 3 228.336 1.045 20 0 BDADHO CCCc1cc(CN)nn1[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246324684 987732474 /nfs/dbraw/zinc/73/24/74/987732474.db2.gz ZFSYOJJBWHHEHW-GXFFZTMASA-N 1 3 236.363 1.607 20 0 BDADHO C[C@@H]1CC[C@H](NCCC2CCC(O)CC2)C[NH2+]1 ZINC001246333254 987741256 /nfs/dbraw/zinc/74/12/56/987741256.db2.gz KGIGFMVYIWKUPS-ZIHBUVQPSA-N 1 3 240.391 1.658 20 0 BDADHO CC(=O)NCCCCC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246335831 987744633 /nfs/dbraw/zinc/74/46/33/987744633.db2.gz MNDPDRYFLUHCCB-DGCLKSJQSA-N 1 3 241.379 1.023 20 0 BDADHO CCC[C@H](CC)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246419375 987787386 /nfs/dbraw/zinc/78/73/86/987787386.db2.gz UOAYJRAMVNCIFE-QWRGUYRKSA-N 1 3 229.368 1.138 20 0 BDADHO CCCCC[C@@H](C)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415714 987790040 /nfs/dbraw/zinc/79/00/40/987790040.db2.gz JYLALINWXWTSLU-NEPJUHHUSA-N 1 3 243.395 1.528 20 0 BDADHO C[C@H]1CCC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)C1 ZINC001246412368 987790149 /nfs/dbraw/zinc/79/01/49/987790149.db2.gz CCLYATWGFWPCKV-TUAOUCFPSA-N 1 3 241.379 1.138 20 0 BDADHO CCC1CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246447240 987804991 /nfs/dbraw/zinc/80/49/91/987804991.db2.gz UVAJBOHGALNCBX-HTAVTVPLSA-N 1 3 208.349 1.907 20 0 BDADHO CCC1CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246447240 987804993 /nfs/dbraw/zinc/80/49/93/987804993.db2.gz UVAJBOHGALNCBX-HTAVTVPLSA-N 1 3 208.349 1.907 20 0 BDADHO COC(=O)CCCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246446790 987806219 /nfs/dbraw/zinc/80/62/19/987806219.db2.gz UCFOXRBAJSGMLY-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO COC(=O)CCCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246446790 987806223 /nfs/dbraw/zinc/80/62/23/987806223.db2.gz UCFOXRBAJSGMLY-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC23CNC3)cc1 ZINC001246448391 987806563 /nfs/dbraw/zinc/80/65/63/987806563.db2.gz YHLVGCZMIFPSOK-JSGCOSHPSA-N 1 3 230.355 1.878 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246454028 987808441 /nfs/dbraw/zinc/80/84/41/987808441.db2.gz BXLPBDGIAYMQSM-FPYNETTCSA-N 1 3 208.349 1.905 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001474759641 987818397 /nfs/dbraw/zinc/81/83/97/987818397.db2.gz RYCIKIKYRNLBCB-YIYPIFLZSA-N 1 3 240.391 1.731 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001474759639 987819069 /nfs/dbraw/zinc/81/90/69/987819069.db2.gz RYCIKIKYRNLBCB-MQYQWHSLSA-N 1 3 240.391 1.731 20 0 BDADHO COc1cnccc1CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246474884 987832621 /nfs/dbraw/zinc/83/26/21/987832621.db2.gz CDMBPBJRJYRPSU-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO COc1cnccc1CC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246474884 987832624 /nfs/dbraw/zinc/83/26/24/987832624.db2.gz CDMBPBJRJYRPSU-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO [NH3+][C@@H]1CCCC[C@@H]1N[C@@H]1CCSC1 ZINC001246475346 987832780 /nfs/dbraw/zinc/83/27/80/987832780.db2.gz FZMBMJOCUMIKPQ-BBBLOLIVSA-N 1 3 200.351 1.351 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC001246500058 987854558 /nfs/dbraw/zinc/85/45/58/987854558.db2.gz NYDDPDBFCYJZRD-LPWJVIDDSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCCO1 ZINC001246522574 987873058 /nfs/dbraw/zinc/87/30/58/987873058.db2.gz DEOYSYIDAHYXJM-RHYQMDGZSA-N 1 3 212.337 1.284 20 0 BDADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)[C@@H]1CCCO1 ZINC001246522574 987873061 /nfs/dbraw/zinc/87/30/61/987873061.db2.gz DEOYSYIDAHYXJM-RHYQMDGZSA-N 1 3 212.337 1.284 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246531355 987885408 /nfs/dbraw/zinc/88/54/08/987885408.db2.gz PWMOYYZMTSBCRJ-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246531355 987885409 /nfs/dbraw/zinc/88/54/09/987885409.db2.gz PWMOYYZMTSBCRJ-MNOVXSKESA-N 1 3 200.326 1.225 20 0 BDADHO CO[C@H]1CCC[C@@H](N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541333 987908784 /nfs/dbraw/zinc/90/87/84/987908784.db2.gz GPSUYIVVVBSXFX-WISYIIOYSA-N 1 3 212.337 1.366 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@H](O)CC2)CCN1 ZINC001246557671 987974869 /nfs/dbraw/zinc/97/48/69/987974869.db2.gz NVVWNFMKJMAQBY-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@H](O)CC2)CCN1 ZINC001246557671 987974877 /nfs/dbraw/zinc/97/48/77/987974877.db2.gz NVVWNFMKJMAQBY-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)CC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578059 988088472 /nfs/dbraw/zinc/08/84/72/988088472.db2.gz FKQJAIQZGRHFLS-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)CC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246578059 988088487 /nfs/dbraw/zinc/08/84/87/988088487.db2.gz FKQJAIQZGRHFLS-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO COC(=O)CC[C@H](C)N1CCCC[C@H](C[NH3+])C1 ZINC001246581972 988107837 /nfs/dbraw/zinc/10/78/37/988107837.db2.gz LTLJAXORMFMKDI-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO CC[C@@H](C)C[C@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582771 988121586 /nfs/dbraw/zinc/12/15/86/988121586.db2.gz HMMUSGYRGBYLFM-VOAKCMCISA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@@H](C)C[C@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582771 988121605 /nfs/dbraw/zinc/12/16/05/988121605.db2.gz HMMUSGYRGBYLFM-VOAKCMCISA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)CCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586209 988143385 /nfs/dbraw/zinc/14/33/85/988143385.db2.gz ROHJQCLRVVRJRT-AVGNSLFASA-N 1 3 228.380 1.453 20 0 BDADHO CC(C)CCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246586209 988143396 /nfs/dbraw/zinc/14/33/96/988143396.db2.gz ROHJQCLRVVRJRT-AVGNSLFASA-N 1 3 228.380 1.453 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC(C)(C)C[C@@]2(C)CO)CCN1 ZINC001246588098 988154104 /nfs/dbraw/zinc/15/41/04/988154104.db2.gz JHEFWSRSBLQCKY-DYEKYZERSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC(C)(C)C[C@@]2(C)CO)CCN1 ZINC001246588098 988154110 /nfs/dbraw/zinc/15/41/10/988154110.db2.gz JHEFWSRSBLQCKY-DYEKYZERSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246590331 988166569 /nfs/dbraw/zinc/16/65/69/988166569.db2.gz SKCKKNFFUBYMSJ-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)(O)[C@H](C)C2)CCN1 ZINC001246590331 988166577 /nfs/dbraw/zinc/16/65/77/988166577.db2.gz SKCKKNFFUBYMSJ-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@@](C)(O)[C@H](C)C2)CC[NH2+]1 ZINC001246590331 988166580 /nfs/dbraw/zinc/16/65/80/988166580.db2.gz SKCKKNFFUBYMSJ-FVCCEPFGSA-N 1 3 226.364 1.220 20 0 BDADHO C1C[N@H+]([C@H]2CCCOCC2)[C@]2(C1)CCCNC2 ZINC001246606319 988228337 /nfs/dbraw/zinc/22/83/37/988228337.db2.gz DSKHWVQDVGCRCY-KBPBESRZSA-N 1 3 238.375 1.774 20 0 BDADHO C1C[N@@H+]([C@H]2CCCOCC2)[C@]2(C1)CCCNC2 ZINC001246606319 988228358 /nfs/dbraw/zinc/22/83/58/988228358.db2.gz DSKHWVQDVGCRCY-KBPBESRZSA-N 1 3 238.375 1.774 20 0 BDADHO C1C[N@H+]([C@@H]2CCCOCC2)[C@]2(C1)CCCNC2 ZINC001246606321 988229056 /nfs/dbraw/zinc/22/90/56/988229056.db2.gz DSKHWVQDVGCRCY-KGLIPLIRSA-N 1 3 238.375 1.774 20 0 BDADHO C1C[N@@H+]([C@@H]2CCCOCC2)[C@]2(C1)CCCNC2 ZINC001246606321 988229085 /nfs/dbraw/zinc/22/90/85/988229085.db2.gz DSKHWVQDVGCRCY-KGLIPLIRSA-N 1 3 238.375 1.774 20 0 BDADHO CCC[C@@H](CC)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246616854 988259355 /nfs/dbraw/zinc/25/93/55/988259355.db2.gz FSJCPSNNOHTYEJ-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CCC[C@@H](CC)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246616854 988259374 /nfs/dbraw/zinc/25/93/74/988259374.db2.gz FSJCPSNNOHTYEJ-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO CO[C@H]1CCC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001246641528 988347395 /nfs/dbraw/zinc/34/73/95/988347395.db2.gz JAMYRKQKNUTUBY-ZDEQEGDKSA-N 1 3 224.348 1.380 20 0 BDADHO CCCC[C@@H](C)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246645075 988353468 /nfs/dbraw/zinc/35/34/68/988353468.db2.gz SUDBVWPDLYQOBX-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO F[C@@H]1C[C@@H]2C[C@H]1CN2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246771204 988456040 /nfs/dbraw/zinc/45/60/40/988456040.db2.gz WKJHOBFUIGINRQ-YCPHOFJISA-N 1 3 224.323 1.702 20 0 BDADHO CCCCN1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246787479 988467322 /nfs/dbraw/zinc/46/73/22/988467322.db2.gz DSHVDRREUZQUDE-KGLIPLIRSA-N 1 3 239.407 1.545 20 0 BDADHO COC(=O)[C@@]1(C)CCCN(C2CC[NH2+]CC2)C1 ZINC001246831714 988527899 /nfs/dbraw/zinc/52/78/99/988527899.db2.gz KGEWQQKUZYEVIB-ZDUSSCGKSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)[C@@]1(C)CCC[N@@H+](C2CCNCC2)C1 ZINC001246831714 988527906 /nfs/dbraw/zinc/52/79/06/988527906.db2.gz KGEWQQKUZYEVIB-ZDUSSCGKSA-N 1 3 240.347 1.014 20 0 BDADHO COC(=O)[C@@]1(C)CCC[N@H+](C2CCNCC2)C1 ZINC001246831714 988527911 /nfs/dbraw/zinc/52/79/11/988527911.db2.gz KGEWQQKUZYEVIB-ZDUSSCGKSA-N 1 3 240.347 1.014 20 0 BDADHO CCCCC(CCCC)N1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001246847643 988562725 /nfs/dbraw/zinc/56/27/25/988562725.db2.gz WKTQGGRSPRUWHN-QWHCGFSZSA-N 1 3 228.380 1.739 20 0 BDADHO C[C@H](Cc1cccnc1)[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246854947 988575681 /nfs/dbraw/zinc/57/56/81/988575681.db2.gz RNDDUGTVWUFNSA-BNOWGMLFSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1cccnc1)[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246854947 988575693 /nfs/dbraw/zinc/57/56/93/988575693.db2.gz RNDDUGTVWUFNSA-BNOWGMLFSA-N 1 3 231.343 1.436 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H]3CC[C@]3(N)C1)C2 ZINC001246856305 988576375 /nfs/dbraw/zinc/57/63/75/988576375.db2.gz WTQBASGZKWHPEG-AHDPXTMNSA-N 1 3 249.402 1.425 20 0 BDADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H]3CC[C@]3(N)C1)C2 ZINC001246856305 988576383 /nfs/dbraw/zinc/57/63/83/988576383.db2.gz WTQBASGZKWHPEG-AHDPXTMNSA-N 1 3 249.402 1.425 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)CCN1 ZINC001246855070 988580089 /nfs/dbraw/zinc/58/00/89/988580089.db2.gz SGLCLDWCIZICLW-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCOC3)CCN1 ZINC001246855070 988580095 /nfs/dbraw/zinc/58/00/95/988580095.db2.gz SGLCLDWCIZICLW-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858367 988593282 /nfs/dbraw/zinc/59/32/82/988593282.db2.gz GASNYFMBGSQHJV-LVEVGFFFSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858367 988593290 /nfs/dbraw/zinc/59/32/90/988593290.db2.gz GASNYFMBGSQHJV-LVEVGFFFSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@H](Cc1ccncc1)[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246862088 988600382 /nfs/dbraw/zinc/60/03/82/988600382.db2.gz PWJAKPINCZCQMN-BNOWGMLFSA-N 1 3 231.343 1.436 20 0 BDADHO C[C@H](Cc1ccncc1)[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001246862088 988600388 /nfs/dbraw/zinc/60/03/88/988600388.db2.gz PWJAKPINCZCQMN-BNOWGMLFSA-N 1 3 231.343 1.436 20 0 BDADHO CN[C@@H]1CCN1[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246895854 988671268 /nfs/dbraw/zinc/67/12/68/988671268.db2.gz FXIBHASZYQUISD-KKUMJFAQSA-N 1 3 245.370 1.731 20 0 BDADHO CCN(CCC(=O)OC)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246918546 988717378 /nfs/dbraw/zinc/71/73/78/988717378.db2.gz FGPQZOLLUVRGHH-GHMZBOCLSA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@H+](CCC(=O)OC)[C@@H]1CCN[C@H](C)C1 ZINC001246918546 988717389 /nfs/dbraw/zinc/71/73/89/988717389.db2.gz FGPQZOLLUVRGHH-GHMZBOCLSA-N 1 3 228.336 1.012 20 0 BDADHO CC[N@@H+](CCC(=O)OC)[C@@H]1CCN[C@H](C)C1 ZINC001246918546 988717398 /nfs/dbraw/zinc/71/73/98/988717398.db2.gz FGPQZOLLUVRGHH-GHMZBOCLSA-N 1 3 228.336 1.012 20 0 BDADHO CC(C)[N@H+](CCCCCO)[C@@H]1CCN[C@H](C)C1 ZINC001246925068 988752258 /nfs/dbraw/zinc/75/22/58/988752258.db2.gz KULQREPLQKLFCQ-ZIAGYGMSSA-N 1 3 242.407 2.000 20 0 BDADHO CC(C)[N@@H+](CCCCCO)[C@@H]1CCN[C@H](C)C1 ZINC001246925068 988752266 /nfs/dbraw/zinc/75/22/66/988752266.db2.gz KULQREPLQKLFCQ-ZIAGYGMSSA-N 1 3 242.407 2.000 20 0 BDADHO CO[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)[C@@H](C)C1 ZINC001246997258 988828663 /nfs/dbraw/zinc/82/86/63/988828663.db2.gz TVMHHUMKYQECOM-MROQNXINSA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)[C@@H](C)C1 ZINC001246997258 988828667 /nfs/dbraw/zinc/82/86/67/988828667.db2.gz TVMHHUMKYQECOM-MROQNXINSA-N 1 3 226.364 1.626 20 0 BDADHO c1ccc([C@H]2C[C@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246994388 988830003 /nfs/dbraw/zinc/83/00/03/988830003.db2.gz PRBQBNPQOYJRKC-ZIAGYGMSSA-N 1 3 231.343 1.342 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001121985968 990168396 /nfs/dbraw/zinc/16/83/96/990168396.db2.gz FEFOFXYIDJMSSF-AXFHLTTASA-N 1 3 243.395 1.240 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N(CC[NH2+]C)C(C)C ZINC001122174271 990276894 /nfs/dbraw/zinc/27/68/94/990276894.db2.gz TZBNKHXTFIGBNF-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@@H](CC1CC1)[NH+](CCN(C)C)CCN(C)C ZINC001258463056 991418413 /nfs/dbraw/zinc/41/84/13/991418413.db2.gz LJZDXSIRXNXGLE-ZDUSSCGKSA-N 1 3 241.423 1.600 20 0 BDADHO CN(Cc1cccnn1)CC1CC[NH+](C)CC1 ZINC001139972772 991444559 /nfs/dbraw/zinc/44/45/59/991444559.db2.gz FSGWFFJNBVLPKC-UHFFFAOYSA-N 1 3 234.347 1.250 20 0 BDADHO CCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001317468288 991534804 /nfs/dbraw/zinc/53/48/04/991534804.db2.gz VGZUEQPNXUESJQ-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO CCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001317468288 991534816 /nfs/dbraw/zinc/53/48/16/991534816.db2.gz VGZUEQPNXUESJQ-GFCCVEGCSA-N 1 3 243.395 1.031 20 0 BDADHO C[C@@H](Cc1cccc(Cl)c1)NC[C@H](O)C[NH3+] ZINC001258739359 991690304 /nfs/dbraw/zinc/69/03/04/991690304.db2.gz XLJLRNSEXHGIAZ-JOYOIKCWSA-N 1 3 242.750 1.180 20 0 BDADHO CC1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)C1 ZINC001561052893 991705811 /nfs/dbraw/zinc/70/58/11/991705811.db2.gz OCHPPFKFGFCHAP-NPBHJFFNSA-N 1 3 208.349 1.715 20 0 BDADHO CCC[NH+]1CCC(n2ccc([C@H](C)N)n2)CC1 ZINC001258766865 991727229 /nfs/dbraw/zinc/72/72/29/991727229.db2.gz GXVXLLKCOMHWFT-NSHDSACASA-N 1 3 236.363 1.950 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](O)C[C@@H]2C)CC1 ZINC001258775402 991735689 /nfs/dbraw/zinc/73/56/89/991735689.db2.gz NPXLECKOQLGCBO-GXTWGEPZSA-N 1 3 240.391 1.706 20 0 BDADHO CC[NH+](CC)CCC[C@H](C)N[C@@H]1COC[C@@H]1F ZINC001258907215 991896340 /nfs/dbraw/zinc/89/63/40/991896340.db2.gz OQZHGXVFUHNROP-RWMBFGLXSA-N 1 3 246.370 1.823 20 0 BDADHO C[NH2+][C@H](C)CCN[C@@H]1C[C@@H](C)O[C@H]1C ZINC001261424593 992292721 /nfs/dbraw/zinc/29/27/21/992292721.db2.gz YOYPVKCFINRBME-CHWFTXMASA-N 1 3 200.326 1.140 20 0 BDADHO CC(C)[C@@H]([NH2+][C@H]1CCNC1)[C@@H](CO)C(C)C ZINC001573490787 992618108 /nfs/dbraw/zinc/61/81/08/992618108.db2.gz DJIOJBOVCOAOOI-RWMBFGLXSA-N 1 3 228.380 1.227 20 0 BDADHO CC(C)([NH3+])CCNC(=O)C[C@H](N)c1ccccc1 ZINC001262043072 992629421 /nfs/dbraw/zinc/62/94/21/992629421.db2.gz GVCMIHDCXBFEEL-LBPRGKRZSA-N 1 3 249.358 1.320 20 0 BDADHO C1C[C@]2(C[NH2+]1)CCCCN([C@@H]1CCOC1)C2 ZINC001574801088 992913978 /nfs/dbraw/zinc/91/39/78/992913978.db2.gz NCRIOGFGOSLOBZ-OLZOCXBDSA-N 1 3 224.348 1.241 20 0 BDADHO CC(C)(CN)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC001575314926 993009378 /nfs/dbraw/zinc/00/93/78/993009378.db2.gz DJBJYFJXMSFWDP-OLZOCXBDSA-N 1 3 240.391 1.358 20 0 BDADHO CC(C)(CN)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC001575314927 993011616 /nfs/dbraw/zinc/01/16/16/993011616.db2.gz DJBJYFJXMSFWDP-QWHCGFSZSA-N 1 3 240.391 1.358 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+]CC[C@H](O)C1CCCC1 ZINC001575423058 993039684 /nfs/dbraw/zinc/03/96/84/993039684.db2.gz OPJSWQYAZQYPHR-KBPBESRZSA-N 1 3 242.407 1.748 20 0 BDADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@@H]([S@](C)=O)C1 ZINC001575423076 993042264 /nfs/dbraw/zinc/04/22/64/993042264.db2.gz OROZVAWEIIBOFU-QHSOUUPTSA-N 1 3 246.420 1.107 20 0 BDADHO CC(C)C[C@@H](CO)N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC001575546132 993068548 /nfs/dbraw/zinc/06/85/48/993068548.db2.gz SXNXCXWMHICNKB-AGIUHOORSA-N 1 3 228.380 1.181 20 0 BDADHO CC(C)CC[C@@H](O)CN[C@H](C[NH3+])C1CC1 ZINC001575566273 993072951 /nfs/dbraw/zinc/07/29/51/993072951.db2.gz SLUZDJJWCRCUFL-VXGBXAGGSA-N 1 3 214.353 1.110 20 0 BDADHO CC(C)N1CCCC[C@@H]1C[NH2+][C@@H](CN)C1CC1 ZINC001575700275 993099568 /nfs/dbraw/zinc/09/95/68/993099568.db2.gz OVUAWZVIDCPJJN-KGLIPLIRSA-N 1 3 239.407 1.576 20 0 BDADHO CC(C)n1ncnc1CNC[C@H]1CC[C@@H]([NH3+])C1 ZINC001575909466 993123074 /nfs/dbraw/zinc/12/30/74/993123074.db2.gz KKUZSOMXLHNKEN-WDEREUQCSA-N 1 3 237.351 1.076 20 0 BDADHO C[C@H](CCN)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC001575962351 993141693 /nfs/dbraw/zinc/14/16/93/993141693.db2.gz PUVHYXULYNBYRX-JIMTYQMOSA-N 1 3 224.348 1.127 20 0 BDADHO C[C@H](CCO)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC001575967389 993143250 /nfs/dbraw/zinc/14/32/50/993143250.db2.gz MXGFJQFHBRDZKE-OCCSQVGLSA-N 1 3 236.359 1.307 20 0 BDADHO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc2c1CNC2 ZINC001263185302 993155335 /nfs/dbraw/zinc/15/53/35/993155335.db2.gz WHAPAPLHIBZREX-JTQLQIEISA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H](N)C[N@@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001576157662 993199186 /nfs/dbraw/zinc/19/91/86/993199186.db2.gz UEOGTCFNEUEONF-TZMCWYRMSA-N 1 3 234.343 1.317 20 0 BDADHO C[C@@H](N)C[N@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001576157662 993199190 /nfs/dbraw/zinc/19/91/90/993199190.db2.gz UEOGTCFNEUEONF-TZMCWYRMSA-N 1 3 234.343 1.317 20 0 BDADHO C[C@@H](O)C(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576263229 993241624 /nfs/dbraw/zinc/24/16/24/993241624.db2.gz GTTNGOBZXUWWMM-YIBTVLSRSA-N 1 3 226.364 1.266 20 0 BDADHO CC(C)(C)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000379747991 993275943 /nfs/dbraw/zinc/27/59/43/993275943.db2.gz AXIUVLNFDGMYNT-SNVBAGLBSA-N 1 3 249.349 1.385 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380558 993284278 /nfs/dbraw/zinc/28/42/78/993284278.db2.gz UNHBTLRZPDXCMR-LXUNUROVSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001576380558 993284293 /nfs/dbraw/zinc/28/42/93/993284293.db2.gz UNHBTLRZPDXCMR-LXUNUROVSA-N 1 3 210.321 1.022 20 0 BDADHO CC1(C)C[C@@H](O)CN(CC2(C[NH3+])CCC2)C1 ZINC001576395183 993297239 /nfs/dbraw/zinc/29/72/39/993297239.db2.gz YXBFPZKRAPZROB-LLVKDONJSA-N 1 3 226.364 1.208 20 0 BDADHO CC1(C)[C@H]2[C@H](CCCN2C[C@@H]2CC[NH2+]C2)[C@@H]1O ZINC001576495418 993322588 /nfs/dbraw/zinc/32/25/88/993322588.db2.gz TWCAUYLVVLXFPE-XQHKEYJVSA-N 1 3 238.375 1.077 20 0 BDADHO CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)COC1 ZINC001576503351 993324070 /nfs/dbraw/zinc/32/40/70/993324070.db2.gz PDMOLBFNFJTZSD-AAEUAGOBSA-N 1 3 224.348 1.084 20 0 BDADHO CC1(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)COC1 ZINC001576503351 993324073 /nfs/dbraw/zinc/32/40/73/993324073.db2.gz PDMOLBFNFJTZSD-AAEUAGOBSA-N 1 3 224.348 1.084 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@@H](CN)C1 ZINC000380684775 993342651 /nfs/dbraw/zinc/34/26/51/993342651.db2.gz HFWVMXWZQLDURQ-RYUDHWBXSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@@H](CN)C1 ZINC000380684775 993342653 /nfs/dbraw/zinc/34/26/53/993342653.db2.gz HFWVMXWZQLDURQ-RYUDHWBXSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@]1(C)CCCNC1 ZINC001576572301 993351358 /nfs/dbraw/zinc/35/13/58/993351358.db2.gz KOCRCHYSYNXENY-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@H](CO)CC[N@H+]1C[C@@]1(C)CCCNC1 ZINC001576572301 993351364 /nfs/dbraw/zinc/35/13/64/993351364.db2.gz KOCRCHYSYNXENY-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H]1CC[C@@H](CN2C[C@H]3CC[NH2+]C[C@H]3C2)O1 ZINC001576648962 993384325 /nfs/dbraw/zinc/38/43/25/993384325.db2.gz CNTRSWCCAVRNNT-RNJOBUHISA-N 1 3 224.348 1.095 20 0 BDADHO C[C@@H]1CCC[C@@H]1C[NH2+]CC12CC(C1)CN2 ZINC001576681774 993393911 /nfs/dbraw/zinc/39/39/11/993393911.db2.gz NGEVARSRVMXKIU-CQLXCSJHSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H]1CCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC001576681774 993393915 /nfs/dbraw/zinc/39/39/15/993393915.db2.gz NGEVARSRVMXKIU-CQLXCSJHSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@H]1CN(C[C@@H]2C[C@H]2c2cnn(C)c2)CC[C@H]1[NH3+] ZINC001576806038 993429081 /nfs/dbraw/zinc/42/90/81/993429081.db2.gz ALWITKBWAFVTNM-CDGCEXEKSA-N 1 3 248.374 1.193 20 0 BDADHO CCC(CC)(CN)C[NH2+]C[C@@H](O)C1CC1 ZINC001577051923 993490198 /nfs/dbraw/zinc/49/01/98/993490198.db2.gz GOZQBZBCHXMUMA-LLVKDONJSA-N 1 3 214.353 1.112 20 0 BDADHO CCC(CC)(CN)C[NH2+]CC1(C(=O)OC)CC1 ZINC001577052400 993491442 /nfs/dbraw/zinc/49/14/42/993491442.db2.gz RTZXKEDWUIMEGW-UHFFFAOYSA-N 1 3 242.363 1.294 20 0 BDADHO CC[C@H](COC)NC[C@H]([NH3+])CC(F)(F)F ZINC001577093061 993502896 /nfs/dbraw/zinc/50/28/96/993502896.db2.gz NYUKWCWQGJPJLQ-HTQZYQBOSA-N 1 3 228.258 1.281 20 0 BDADHO COc1cncc(CN2CCC(C[NH3+])CC2)c1 ZINC000700018935 993819480 /nfs/dbraw/zinc/81/94/80/993819480.db2.gz SXBZJAHZATWSNS-UHFFFAOYSA-N 1 3 235.331 1.261 20 0 BDADHO C[C@@H]1CC[N@H+](CCC2CCOCC2)C[C@@H]1N ZINC000393749631 994001587 /nfs/dbraw/zinc/00/15/87/994001587.db2.gz NHEUTIZAAWZKQB-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CC[N@@H+](CCC2CCOCC2)C[C@@H]1N ZINC000393749631 994001601 /nfs/dbraw/zinc/00/16/01/994001601.db2.gz NHEUTIZAAWZKQB-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO CC[NH2+]CCC[C@H](C)NC(=O)[C@H](CC)N(C)C ZINC001283238378 994268138 /nfs/dbraw/zinc/26/81/38/994268138.db2.gz HNQZVZTZHPYKAY-RYUDHWBXSA-N 1 3 243.395 1.221 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000563201401 398146439 /nfs/dbraw/zinc/14/64/39/398146439.db2.gz UDIVDUDBZVDEGY-IJLUTSLNSA-N 1 3 241.379 1.103 20 0 BDADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000563201401 398146440 /nfs/dbraw/zinc/14/64/40/398146440.db2.gz UDIVDUDBZVDEGY-IJLUTSLNSA-N 1 3 241.379 1.103 20 0 BDADHO C[C@@H](N)C[N@@H+]1CCCc2ccccc2C1 ZINC000062944506 349502523 /nfs/dbraw/zinc/50/25/23/349502523.db2.gz AWVFWDVKAYHZNO-LLVKDONJSA-N 1 3 204.317 1.782 20 0 BDADHO C[C@@H](N)C[N@H+]1CCCc2ccccc2C1 ZINC000062944506 349502525 /nfs/dbraw/zinc/50/25/25/349502525.db2.gz AWVFWDVKAYHZNO-LLVKDONJSA-N 1 3 204.317 1.782 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)Cc1cccs1 ZINC000379574830 398152824 /nfs/dbraw/zinc/15/28/24/398152824.db2.gz LAHAQUUTDFAWQL-ZJUUUORDSA-N 1 3 212.362 1.864 20 0 BDADHO COC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000422939739 398158514 /nfs/dbraw/zinc/15/85/14/398158514.db2.gz RNRJZSUDMKAEQG-DRZSPHRISA-N 1 3 226.364 1.389 20 0 BDADHO COC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CC1 ZINC000422939739 398158518 /nfs/dbraw/zinc/15/85/18/398158518.db2.gz RNRJZSUDMKAEQG-DRZSPHRISA-N 1 3 226.364 1.389 20 0 BDADHO C([C@@H]1CCC[NH2+]C1)N1CCCSCC1 ZINC000042444854 398171747 /nfs/dbraw/zinc/17/17/47/398171747.db2.gz HQDBBMASHLGAQK-LLVKDONJSA-N 1 3 214.378 1.425 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1CCCSCC1 ZINC000042444854 398171749 /nfs/dbraw/zinc/17/17/49/398171749.db2.gz HQDBBMASHLGAQK-LLVKDONJSA-N 1 3 214.378 1.425 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1CCCSCC1 ZINC000042444854 398171752 /nfs/dbraw/zinc/17/17/52/398171752.db2.gz HQDBBMASHLGAQK-LLVKDONJSA-N 1 3 214.378 1.425 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOCC1CCCC1 ZINC000313278283 398182254 /nfs/dbraw/zinc/18/22/54/398182254.db2.gz FQGTXZIBHKHEQI-KBPBESRZSA-N 1 3 240.391 1.910 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOCC1CCCC1 ZINC000313278283 398182258 /nfs/dbraw/zinc/18/22/58/398182258.db2.gz FQGTXZIBHKHEQI-KBPBESRZSA-N 1 3 240.391 1.910 20 0 BDADHO COCC[C@](C)(O)CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422976804 398161327 /nfs/dbraw/zinc/16/13/27/398161327.db2.gz JBBXVBLYPUBIMM-AVGNSLFASA-N 1 3 244.379 1.024 20 0 BDADHO C[C@@H](N[C@@H](CO)CC1CCCC1)C1C[NH2+]C1 ZINC000423023513 398163031 /nfs/dbraw/zinc/16/30/31/398163031.db2.gz JUFWMLGWHQZWCL-ZWNOBZJWSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)C1CNC1 ZINC000423023513 398163033 /nfs/dbraw/zinc/16/30/33/398163033.db2.gz JUFWMLGWHQZWCL-ZWNOBZJWSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H](N[C@H](CO)CC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000423023699 398163277 /nfs/dbraw/zinc/16/32/77/398163277.db2.gz KELJSRRPHJMFFE-UBHSHLNASA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]([NH2+]CC1CCC(F)CC1)C1CNC1 ZINC000647803996 398214571 /nfs/dbraw/zinc/21/45/71/398214571.db2.gz HFPCJWGHMLZJFI-GRZMOONWSA-N 1 3 214.328 1.712 20 0 BDADHO COC[C@H](C)CN(C)CC(C)(C)C[NH3+] ZINC000163548956 538929265 /nfs/dbraw/zinc/92/92/65/538929265.db2.gz PTSRMFSCLXFFMS-SNVBAGLBSA-N 1 3 202.342 1.186 20 0 BDADHO C[C@H](CNC(=O)CCC[NH3+])N1CCCC[C@H]1C ZINC000430766224 398232057 /nfs/dbraw/zinc/23/20/57/398232057.db2.gz WMPMCXXZNBIQAR-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000252786297 136227078 /nfs/dbraw/zinc/22/70/78/136227078.db2.gz POGIJXCSSGIMQV-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO COCC1([NH2+]CCNC(C)(C)C)CCCC1 ZINC000576598724 365636837 /nfs/dbraw/zinc/63/68/37/365636837.db2.gz WGTRXJAKUJANCH-UHFFFAOYSA-N 1 3 228.380 1.923 20 0 BDADHO CNC[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000576708102 365665545 /nfs/dbraw/zinc/66/55/45/365665545.db2.gz DKQLMQUQAIADNT-RVMXOQNASA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@@H](C)C[NH2+]CCCN1CCCN(C)CC1 ZINC000180233803 538957109 /nfs/dbraw/zinc/95/71/09/538957109.db2.gz XZLVDYMLNCJZCK-CQSZACIVSA-N 1 3 241.423 1.650 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[N@H+](C)C(C)C ZINC000166566243 361853439 /nfs/dbraw/zinc/85/34/39/361853439.db2.gz JOYACOLPGACSIP-NWDGAFQWSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@H](C)[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000166566243 361853444 /nfs/dbraw/zinc/85/34/44/361853444.db2.gz JOYACOLPGACSIP-NWDGAFQWSA-N 1 3 216.369 1.730 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000166566243 361853451 /nfs/dbraw/zinc/85/34/51/361853451.db2.gz JOYACOLPGACSIP-NWDGAFQWSA-N 1 3 216.369 1.730 20 0 BDADHO CCN(CC)CCC[N@H+](CC)C[C@H](C)O ZINC000167199340 361861634 /nfs/dbraw/zinc/86/16/34/361861634.db2.gz LZCVNQZFKSRMPX-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](CC)C[C@H](C)O ZINC000167199340 361861637 /nfs/dbraw/zinc/86/16/37/361861637.db2.gz LZCVNQZFKSRMPX-LBPRGKRZSA-N 1 3 216.369 1.421 20 0 BDADHO CC[C@H]1COCCN1CCC1CC[NH2+]CC1 ZINC000036326758 342809289 /nfs/dbraw/zinc/80/92/89/342809289.db2.gz UFSOZDICZMQRGN-ZDUSSCGKSA-N 1 3 226.364 1.487 20 0 BDADHO [NH3+]CCCN[C@@H]1CCc2c1cccc2F ZINC000214684019 342839732 /nfs/dbraw/zinc/83/97/32/342839732.db2.gz QQUDTZRIKSEJPY-GFCCVEGCSA-N 1 3 208.280 1.751 20 0 BDADHO Nc1cccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000351482149 136245949 /nfs/dbraw/zinc/24/59/49/136245949.db2.gz ZEYLLXFXAUNSGR-IACUBPJLSA-N 1 3 231.343 1.438 20 0 BDADHO CC[NH2+]CCCN[C@@H]1C[C@H](OCC)C1(C)C ZINC000233510772 342910130 /nfs/dbraw/zinc/91/01/30/342910130.db2.gz GOCJIGTUJLKIGF-NEPJUHHUSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@]1(O)CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000495260839 529442512 /nfs/dbraw/zinc/44/25/12/529442512.db2.gz HZFZFUUGRZVZRN-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CC[C@]1(O)CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000495260839 529442514 /nfs/dbraw/zinc/44/25/14/529442514.db2.gz HZFZFUUGRZVZRN-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CC(C)(C)CCCN1CCCO[C@@H](C[NH3+])C1 ZINC000313355435 259333639 /nfs/dbraw/zinc/33/36/39/259333639.db2.gz PNMWHGDZXFCBQM-LBPRGKRZSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccco1 ZINC000308806307 259340894 /nfs/dbraw/zinc/34/08/94/259340894.db2.gz AGHFJGGGMFXACZ-QWRGUYRKSA-N 1 3 210.321 1.785 20 0 BDADHO CCCCOCC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000386545899 343072151 /nfs/dbraw/zinc/07/21/51/343072151.db2.gz FSOHFVCQFWIZAK-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000562959593 323035281 /nfs/dbraw/zinc/03/52/81/323035281.db2.gz KWEKIQPRCLMGDW-CHWSQXEVSA-N 1 3 219.332 1.402 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000562959600 323035340 /nfs/dbraw/zinc/03/53/40/323035340.db2.gz KWEKIQPRCLMGDW-QWHCGFSZSA-N 1 3 219.332 1.402 20 0 BDADHO CC[C@@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000236865604 343113653 /nfs/dbraw/zinc/11/36/53/343113653.db2.gz DEMGRSBIPSXISF-LLVKDONJSA-N 1 3 221.304 1.082 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](c2ccccc2)C1 ZINC000576881309 365712709 /nfs/dbraw/zinc/71/27/09/365712709.db2.gz YULQIDGKPCZJJC-LSDHHAIUSA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881309 365712711 /nfs/dbraw/zinc/71/27/11/365712711.db2.gz YULQIDGKPCZJJC-LSDHHAIUSA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881309 365712712 /nfs/dbraw/zinc/71/27/12/365712712.db2.gz YULQIDGKPCZJJC-LSDHHAIUSA-N 1 3 248.370 1.446 20 0 BDADHO COCCCCN1CCC[C@H](C[NH3+])C1 ZINC000158503895 343200885 /nfs/dbraw/zinc/20/08/85/343200885.db2.gz HNQNGJQBXOVTHK-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO COCCCC[N@@H+]1CCC[C@H](CN)C1 ZINC000158503895 343200888 /nfs/dbraw/zinc/20/08/88/343200888.db2.gz HNQNGJQBXOVTHK-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO COCCCC[N@H+]1CCC[C@H](CN)C1 ZINC000158503895 343200891 /nfs/dbraw/zinc/20/08/91/343200891.db2.gz HNQNGJQBXOVTHK-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091296 136284513 /nfs/dbraw/zinc/28/45/13/136284513.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091296 136284514 /nfs/dbraw/zinc/28/45/14/136284514.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091296 136284515 /nfs/dbraw/zinc/28/45/15/136284515.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091296 136284516 /nfs/dbraw/zinc/28/45/16/136284516.db2.gz NETAXUXTSYKSQU-FRRDWIJNSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCCCC[C@H](N)C2)O1 ZINC000634687916 343245455 /nfs/dbraw/zinc/24/54/55/343245455.db2.gz CXMLMCSGLYLOTI-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCCCC[C@H](N)C2)O1 ZINC000634687916 343245457 /nfs/dbraw/zinc/24/54/57/343245457.db2.gz CXMLMCSGLYLOTI-FRRDWIJNSA-N 1 3 226.364 1.757 20 0 BDADHO COC[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC000308572450 488209129 /nfs/dbraw/zinc/20/91/29/488209129.db2.gz CKBPUJUSXPSNHZ-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000308572450 488209132 /nfs/dbraw/zinc/20/91/32/488209132.db2.gz CKBPUJUSXPSNHZ-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO COC[C@@H](C)NCC[C@H]1CCC[N@H+]1C ZINC000308572450 488209135 /nfs/dbraw/zinc/20/91/35/488209135.db2.gz CKBPUJUSXPSNHZ-GHMZBOCLSA-N 1 3 200.326 1.095 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)o1 ZINC000572986028 323040063 /nfs/dbraw/zinc/04/00/63/323040063.db2.gz ZEEXCXJFRVHSSL-NWDGAFQWSA-N 1 3 222.332 1.990 20 0 BDADHO Cc1nccn1CCC[NH2+][C@](C)(CN)C1CC1 ZINC000348753840 136296688 /nfs/dbraw/zinc/29/66/88/136296688.db2.gz YBDCWHVTVPVWDK-CYBMUJFWSA-N 1 3 236.363 1.299 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000348757896 136297145 /nfs/dbraw/zinc/29/71/45/136297145.db2.gz YZSWXPLHWHAWAU-ZDUSSCGKSA-N 1 3 236.363 1.252 20 0 BDADHO Cc1nccn1CCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000348757896 136297146 /nfs/dbraw/zinc/29/71/46/136297146.db2.gz YZSWXPLHWHAWAU-ZDUSSCGKSA-N 1 3 236.363 1.252 20 0 BDADHO CN(C)[C@H](CNC(=O)C(C)(C)[NH3+])c1ccccc1 ZINC000040925000 343411302 /nfs/dbraw/zinc/41/13/02/343411302.db2.gz UADXULZKWPJLDV-GFCCVEGCSA-N 1 3 249.358 1.143 20 0 BDADHO CN(C[C@H]1CCCOC1)C1CC[NH2+]CC1 ZINC000082544751 343446889 /nfs/dbraw/zinc/44/68/89/343446889.db2.gz WXPMJPRKELCERN-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CC(C)([NH3+])CNC[C@@H](N)c1ccccc1 ZINC000576992572 365745427 /nfs/dbraw/zinc/74/54/27/365745427.db2.gz ULTHBOMLENPXKP-LLVKDONJSA-N 1 3 207.321 1.013 20 0 BDADHO CSC[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261542345 136374427 /nfs/dbraw/zinc/37/44/27/136374427.db2.gz GSWVJVZDUFGBSN-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO CC(C)C[C@H]([NH3+])CNC[C@@]1(C)CCCO1 ZINC000087255781 343641750 /nfs/dbraw/zinc/64/17/50/343641750.db2.gz DEGZUUOBRFDZMH-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000580580368 365790541 /nfs/dbraw/zinc/79/05/41/365790541.db2.gz AQHIBLMTDOKWFL-YVECIDJPSA-N 1 3 242.363 1.040 20 0 BDADHO COCC1(N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000309064538 349829895 /nfs/dbraw/zinc/82/98/95/349829895.db2.gz YOJJJLQBFCOQFU-QWRGUYRKSA-N 1 3 212.337 1.238 20 0 BDADHO COCC1(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000309064538 349829897 /nfs/dbraw/zinc/82/98/97/349829897.db2.gz YOJJJLQBFCOQFU-QWRGUYRKSA-N 1 3 212.337 1.238 20 0 BDADHO COCC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429538485 537807125 /nfs/dbraw/zinc/80/71/25/537807125.db2.gz SVVJTLMQVXFJPC-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429538485 537807137 /nfs/dbraw/zinc/80/71/37/537807137.db2.gz SVVJTLMQVXFJPC-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO COCC[C@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429538485 537807144 /nfs/dbraw/zinc/80/71/44/537807144.db2.gz SVVJTLMQVXFJPC-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511606980 529930552 /nfs/dbraw/zinc/93/05/52/529930552.db2.gz QRINWZYJSIESRI-YNEHKIRRSA-N 1 3 226.364 1.316 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000511606980 529930553 /nfs/dbraw/zinc/93/05/53/529930553.db2.gz QRINWZYJSIESRI-YNEHKIRRSA-N 1 3 226.364 1.316 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000634733162 344108477 /nfs/dbraw/zinc/10/84/77/344108477.db2.gz YPEJXUYWBAJJLF-GFCCVEGCSA-N 1 3 226.364 1.533 20 0 BDADHO C(C[C@@H]1CCOC1)[NH2+][C@]12CCC[C@@H]1CNC2 ZINC000634733672 344113941 /nfs/dbraw/zinc/11/39/41/344113941.db2.gz KWBFXWVRNXKIAR-UPJWGTAASA-N 1 3 224.348 1.145 20 0 BDADHO Cc1cn[nH]c1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634733868 344114655 /nfs/dbraw/zinc/11/46/55/344114655.db2.gz PZEYTUJELLWAJE-LLVKDONJSA-N 1 3 236.363 1.586 20 0 BDADHO CSCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084216898 344255118 /nfs/dbraw/zinc/25/51/18/344255118.db2.gz OVBLCCPUNLJXQZ-ZJUUUORDSA-N 1 3 202.367 1.457 20 0 BDADHO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093215723 344312518 /nfs/dbraw/zinc/31/25/18/344312518.db2.gz PMHQSYSVHCCGRZ-QWHCGFSZSA-N 1 3 236.363 1.510 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ccccc2)C1 ZINC000093215583 344312659 /nfs/dbraw/zinc/31/26/59/344312659.db2.gz NGUVXYXLLWIWLO-OLZOCXBDSA-N 1 3 234.343 1.925 20 0 BDADHO C[C@H]1OCC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000584268101 344372728 /nfs/dbraw/zinc/37/27/28/344372728.db2.gz JVECTAQGGBZQHM-BXUZGUMPSA-N 1 3 238.375 1.628 20 0 BDADHO COc1ccc(C[C@H](C)NCC[NH3+])cc1OC ZINC000037712671 344572693 /nfs/dbraw/zinc/57/26/93/344572693.db2.gz CDBNLAZIWVXPGU-JTQLQIEISA-N 1 3 238.331 1.183 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CO ZINC000577382995 344526414 /nfs/dbraw/zinc/52/64/14/344526414.db2.gz IMLYCSKVDLUQGK-HUUCEWRRSA-N 1 3 248.370 1.929 20 0 BDADHO COC(=O)CCCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152449875 344568616 /nfs/dbraw/zinc/56/86/16/344568616.db2.gz SAEBZPZWYBKAIS-GFCCVEGCSA-N 1 3 242.363 1.213 20 0 BDADHO COC(=O)CCCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152449875 344568618 /nfs/dbraw/zinc/56/86/18/344568618.db2.gz SAEBZPZWYBKAIS-GFCCVEGCSA-N 1 3 242.363 1.213 20 0 BDADHO C[NH+]1CCC(NC/C=C\c2ccncc2)CC1 ZINC000486935605 530050645 /nfs/dbraw/zinc/05/06/45/530050645.db2.gz JNVPJUJAODJTGH-IHWYPQMZSA-N 1 3 231.343 1.779 20 0 BDADHO CN1CCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000300408972 530057989 /nfs/dbraw/zinc/05/79/89/530057989.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 1 3 237.391 1.297 20 0 BDADHO CN1CCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300408972 530057990 /nfs/dbraw/zinc/05/79/90/530057990.db2.gz WMABSQNIQCQQLA-BFHYXJOUSA-N 1 3 237.391 1.297 20 0 BDADHO CC1(C)NCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000335646057 534986055 /nfs/dbraw/zinc/98/60/55/534986055.db2.gz KEBGTYOMYZSIKO-GHMZBOCLSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000156554820 345175770 /nfs/dbraw/zinc/17/57/70/345175770.db2.gz JDNMREHDHUXTKN-AAVRWANBSA-N 1 3 239.407 1.541 20 0 BDADHO C[C@@H]1C[C@H](NC[C@]2(C)CC[NH2+]C2)[C@@H](C)O1 ZINC000635001722 345202077 /nfs/dbraw/zinc/20/20/77/345202077.db2.gz ZBLWCPGKDKVUOH-WISYIIOYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1cnccn1 ZINC000635007277 345202608 /nfs/dbraw/zinc/20/26/08/345202608.db2.gz OVQVJQQDSCFNRZ-SRVKXCTJSA-N 1 3 234.347 1.645 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC(C)(C)F ZINC000635005565 345210109 /nfs/dbraw/zinc/21/01/09/345210109.db2.gz VDHXWKFOCROORL-GUBZILKMSA-N 1 3 218.316 1.076 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158634823 345358039 /nfs/dbraw/zinc/35/80/39/345358039.db2.gz OQBXLCQPYUAFCY-YNEHKIRRSA-N 1 3 224.348 1.239 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158634823 345358040 /nfs/dbraw/zinc/35/80/40/345358040.db2.gz OQBXLCQPYUAFCY-YNEHKIRRSA-N 1 3 224.348 1.239 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CCOC1 ZINC000158634823 345358041 /nfs/dbraw/zinc/35/80/41/345358041.db2.gz OQBXLCQPYUAFCY-YNEHKIRRSA-N 1 3 224.348 1.239 20 0 BDADHO CC(C)OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158748904 345373886 /nfs/dbraw/zinc/37/38/86/345373886.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158748904 345373888 /nfs/dbraw/zinc/37/38/88/345373888.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158748904 345373889 /nfs/dbraw/zinc/37/38/89/345373889.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000158748904 345373890 /nfs/dbraw/zinc/37/38/90/345373890.db2.gz WRYCUMFPGAYTPL-ZIAGYGMSSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@@H](O)CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000531378753 323088286 /nfs/dbraw/zinc/08/82/86/323088286.db2.gz WGFRVINCPZRPLK-FRRDWIJNSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@@H](O)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000531378753 323088287 /nfs/dbraw/zinc/08/82/87/323088287.db2.gz WGFRVINCPZRPLK-FRRDWIJNSA-N 1 3 228.380 1.562 20 0 BDADHO CCN1CCCC[C@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000248836732 345717528 /nfs/dbraw/zinc/71/75/28/345717528.db2.gz DFIAOTSRUDMDDJ-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO Cn1cc(C[C@@H]2CC[N@H+](CC(C)(C)N)C2)cn1 ZINC000563137706 323094777 /nfs/dbraw/zinc/09/47/77/323094777.db2.gz JGTAOEAJDGXJQL-NSHDSACASA-N 1 3 236.363 1.022 20 0 BDADHO Cn1cc(C[C@@H]2CC[N@@H+](CC(C)(C)N)C2)cn1 ZINC000563137706 323094778 /nfs/dbraw/zinc/09/47/78/323094778.db2.gz JGTAOEAJDGXJQL-NSHDSACASA-N 1 3 236.363 1.022 20 0 BDADHO CSC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000307605387 345845779 /nfs/dbraw/zinc/84/57/79/345845779.db2.gz YIEHJLMKKVJUCJ-UWVGGRQHSA-N 1 3 212.362 1.033 20 0 BDADHO CC(C)OCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397392269 323108167 /nfs/dbraw/zinc/10/81/67/323108167.db2.gz NZGPOMKLSBCKGI-XQQFMLRXSA-N 1 3 228.380 1.717 20 0 BDADHO C[C@@H](N)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000037901338 346254744 /nfs/dbraw/zinc/25/47/44/346254744.db2.gz QVDOGJPTCIERHN-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H](N)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901338 346254750 /nfs/dbraw/zinc/25/47/50/346254750.db2.gz QVDOGJPTCIERHN-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO OC1(CNC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000531715639 323112145 /nfs/dbraw/zinc/11/21/45/323112145.db2.gz WXPOEQPSMHWFGH-UHFFFAOYSA-N 1 3 238.375 1.365 20 0 BDADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](N)C1 ZINC000122156506 179035397 /nfs/dbraw/zinc/03/53/97/179035397.db2.gz XEDKZRGSVYYFOR-LBPRGKRZSA-N 1 3 204.317 1.836 20 0 BDADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](N)C1 ZINC000122156506 179035399 /nfs/dbraw/zinc/03/53/99/179035399.db2.gz XEDKZRGSVYYFOR-LBPRGKRZSA-N 1 3 204.317 1.836 20 0 BDADHO CC[C@H](C)CN[C@@H](CO)CC[NH+](CC)CC ZINC000641773665 362712786 /nfs/dbraw/zinc/71/27/86/362712786.db2.gz ZAXWPYRJICBPDS-QWHCGFSZSA-N 1 3 230.396 1.715 20 0 BDADHO COC1(C[NH2+][C@@H]2CCNC[C@@H]2C)CCCC1 ZINC000381604582 346416494 /nfs/dbraw/zinc/41/64/94/346416494.db2.gz PMZFXKROUKRXCD-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO COC1(CN[C@@H]2CC[NH2+]C[C@@H]2C)CCCC1 ZINC000381604582 346416499 /nfs/dbraw/zinc/41/64/99/346416499.db2.gz PMZFXKROUKRXCD-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000300362961 346432002 /nfs/dbraw/zinc/43/20/02/346432002.db2.gz ROZWIIOHVIXSBP-QJPTWQEYSA-N 1 3 212.337 1.273 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000641803938 362761868 /nfs/dbraw/zinc/76/18/68/362761868.db2.gz WEZJPDOKIJIBME-NEPJUHHUSA-N 1 3 236.363 1.297 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)C1CNC1 ZINC000580075688 346513392 /nfs/dbraw/zinc/51/33/92/346513392.db2.gz QCQHKFJBBANRHZ-JMJZKYOTSA-N 1 3 200.301 1.465 20 0 BDADHO CN(CCN[C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641801843 362758278 /nfs/dbraw/zinc/75/82/78/362758278.db2.gz FRFFKYJQMZHHTD-UONOGXRCSA-N 1 3 247.386 1.838 20 0 BDADHO CN(CC[NH2+][C@@H]1C[C@H](N)C1(C)C)c1ccccc1 ZINC000641801843 362758285 /nfs/dbraw/zinc/75/82/85/362758285.db2.gz FRFFKYJQMZHHTD-UONOGXRCSA-N 1 3 247.386 1.838 20 0 BDADHO CSC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000300897336 346526488 /nfs/dbraw/zinc/52/64/88/346526488.db2.gz VJYCRJZKXBSDRH-GFCCVEGCSA-N 1 3 228.405 1.813 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C1 ZINC000300377538 346530900 /nfs/dbraw/zinc/53/09/00/346530900.db2.gz QZTKOVMFJQZVJE-QNWHQSFQSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc2c[nH]nc21 ZINC000580326336 347131575 /nfs/dbraw/zinc/13/15/75/347131575.db2.gz OJPBKWLOLSPTJG-ZJUUUORDSA-N 1 3 232.331 1.778 20 0 BDADHO N[C@H]1CCCCC[N@H+](CCc2cn[nH]c2)C1 ZINC000641824656 362774208 /nfs/dbraw/zinc/77/42/08/362774208.db2.gz WPAIVGVSPBWREI-LBPRGKRZSA-N 1 3 222.336 1.156 20 0 BDADHO N[C@H]1CCCCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000641824656 362774214 /nfs/dbraw/zinc/77/42/14/362774214.db2.gz WPAIVGVSPBWREI-LBPRGKRZSA-N 1 3 222.336 1.156 20 0 BDADHO CCCCOCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000300820810 347261367 /nfs/dbraw/zinc/26/13/67/347261367.db2.gz IRMNLSSPKBJQRI-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO CCCCOCC[NH2+][C@@H]1CCNCC1(C)C ZINC000300820810 347261368 /nfs/dbraw/zinc/26/13/68/347261368.db2.gz IRMNLSSPKBJQRI-GFCCVEGCSA-N 1 3 228.380 1.781 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC000581499794 347338993 /nfs/dbraw/zinc/33/89/93/347338993.db2.gz SGWDEAUVURLXSN-JHJVBQTASA-N 1 3 242.363 1.042 20 0 BDADHO C[C@@H]1CC[C@H](CN2C[C@H](C[NH3+])C[C@H]2C)O1 ZINC000251694543 362899626 /nfs/dbraw/zinc/89/96/26/362899626.db2.gz HJFQXFQBAMJLED-WISYIIOYSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](CN)C[C@H]2C)O1 ZINC000251694543 362899631 /nfs/dbraw/zinc/89/96/31/362899631.db2.gz HJFQXFQBAMJLED-WISYIIOYSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2C[C@H](CN)C[C@H]2C)O1 ZINC000251694543 362899635 /nfs/dbraw/zinc/89/96/35/362899635.db2.gz HJFQXFQBAMJLED-WISYIIOYSA-N 1 3 212.337 1.223 20 0 BDADHO C[C@H]([NH3+])CCC(=O)Nc1ccc(CN(C)C)cc1 ZINC000070315878 349993513 /nfs/dbraw/zinc/99/35/13/349993513.db2.gz BNLVHOVLSMLQDV-NSHDSACASA-N 1 3 249.358 1.814 20 0 BDADHO CSCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000596653050 348607347 /nfs/dbraw/zinc/60/73/47/348607347.db2.gz YZXRTFQVUOTSBZ-SDDRHHMPSA-N 1 3 244.404 1.096 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CO[C@H](C)C2)CC1 ZINC000401891841 348607748 /nfs/dbraw/zinc/60/77/48/348607748.db2.gz ONNOFHFXSGYRPT-YPMHNXCESA-N 1 3 226.364 1.628 20 0 BDADHO CC[NH+]1CCC(CNCc2cncs2)CC1 ZINC000054788388 349079283 /nfs/dbraw/zinc/07/92/83/349079283.db2.gz XEEVTHTTXNCZBS-UHFFFAOYSA-N 1 3 239.388 1.965 20 0 BDADHO COCCC1CCN([C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000530209405 323209786 /nfs/dbraw/zinc/20/97/86/323209786.db2.gz HENUZDRJAUKZOO-TZMCWYRMSA-N 1 3 240.391 1.733 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000249103386 349155347 /nfs/dbraw/zinc/15/53/47/349155347.db2.gz VADRAAFRJVPMJX-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000249103386 349155349 /nfs/dbraw/zinc/15/53/49/349155349.db2.gz VADRAAFRJVPMJX-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CCC[NH+]1CCC(NC[C@H](O)C2CC2)CC1 ZINC000070879999 490243033 /nfs/dbraw/zinc/24/30/33/490243033.db2.gz LDIOFZHDHWSFSE-ZDUSSCGKSA-N 1 3 226.364 1.221 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CCCN)C12CCCC2 ZINC000082945705 349350662 /nfs/dbraw/zinc/35/06/62/349350662.db2.gz RIJRECGOLWECED-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH3+])C12CCCC2 ZINC000082945705 349350665 /nfs/dbraw/zinc/35/06/65/349350665.db2.gz RIJRECGOLWECED-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO CC[NH+]1CCC(CN[C@H](C)c2cnccn2)CC1 ZINC000070479539 350014130 /nfs/dbraw/zinc/01/41/30/350014130.db2.gz OSISIYXGDHSWOV-GFCCVEGCSA-N 1 3 248.374 1.859 20 0 BDADHO C[N@@H+]1CC[C@H](NCCc2cn[nH]c2)CC1(C)C ZINC000623527928 362948169 /nfs/dbraw/zinc/94/81/69/362948169.db2.gz OJCICGLPSVUNQX-LBPRGKRZSA-N 1 3 236.363 1.415 20 0 BDADHO C[N@H+]1CC[C@H](NCCc2cn[nH]c2)CC1(C)C ZINC000623527928 362948171 /nfs/dbraw/zinc/94/81/71/362948171.db2.gz OJCICGLPSVUNQX-LBPRGKRZSA-N 1 3 236.363 1.415 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000302378304 350083443 /nfs/dbraw/zinc/08/34/43/350083443.db2.gz SOHGIIYXDXBFGE-AGIUHOORSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000302378304 350083447 /nfs/dbraw/zinc/08/34/47/350083447.db2.gz SOHGIIYXDXBFGE-AGIUHOORSA-N 1 3 240.391 1.515 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000131403356 191011655 /nfs/dbraw/zinc/01/16/55/191011655.db2.gz FOSBCYOIAIXDRD-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000302378306 350083815 /nfs/dbraw/zinc/08/38/15/350083815.db2.gz SOHGIIYXDXBFGE-UPJWGTAASA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCCC[C@H]1O ZINC000302378306 350083816 /nfs/dbraw/zinc/08/38/16/350083816.db2.gz SOHGIIYXDXBFGE-UPJWGTAASA-N 1 3 240.391 1.515 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422723766 192442633 /nfs/dbraw/zinc/44/26/33/192442633.db2.gz SIYTTXGMMMEFGS-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO C(C[NH2+][C@H]1CCCOCC1)CN1CCCC1 ZINC000083424638 350204281 /nfs/dbraw/zinc/20/42/81/350204281.db2.gz UNVFMJOVBIHKLI-ZDUSSCGKSA-N 1 3 226.364 1.631 20 0 BDADHO CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422746796 192450793 /nfs/dbraw/zinc/45/07/93/192450793.db2.gz OHEBRSFNKYRBIC-IJLUTSLNSA-N 1 3 214.353 1.519 20 0 BDADHO Cc1nccn1CC[N@H+]1CCN(C)CC1(C)C ZINC000336353141 180253748 /nfs/dbraw/zinc/25/37/48/180253748.db2.gz VEAUEPPMQYDMQH-UHFFFAOYSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CC[N@@H+]1CCN(C)CC1(C)C ZINC000336353141 180253750 /nfs/dbraw/zinc/25/37/50/180253750.db2.gz VEAUEPPMQYDMQH-UHFFFAOYSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CCN1CC[N@@H+](C)CC1(C)C ZINC000336353141 180253752 /nfs/dbraw/zinc/25/37/52/180253752.db2.gz VEAUEPPMQYDMQH-UHFFFAOYSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CCN1CC[N@H+](C)CC1(C)C ZINC000336353141 180253755 /nfs/dbraw/zinc/25/37/55/180253755.db2.gz VEAUEPPMQYDMQH-UHFFFAOYSA-N 1 3 236.363 1.218 20 0 BDADHO CCN1CCC([NH2+]C2CCN(CC)CC2)CC1 ZINC000037977185 350297790 /nfs/dbraw/zinc/29/77/90/350297790.db2.gz QUGDNJXSHDCYJD-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO C[C@H](CCc1ccco1)[NH2+]C1CCNCC1 ZINC000038040723 350303037 /nfs/dbraw/zinc/30/30/37/350303037.db2.gz PJIQOZFBDDZXKN-LLVKDONJSA-N 1 3 222.332 1.942 20 0 BDADHO C[C@H](CCc1ccco1)NC1CC[NH2+]CC1 ZINC000038040723 350303039 /nfs/dbraw/zinc/30/30/39/350303039.db2.gz PJIQOZFBDDZXKN-LLVKDONJSA-N 1 3 222.332 1.942 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2COc3ccccc3C2)C1 ZINC000328144063 350376290 /nfs/dbraw/zinc/37/62/90/350376290.db2.gz RCVBJMBTLVVSTK-HZSPNIEDSA-N 1 3 246.354 1.850 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H]1CCCC[C@@H]1O ZINC000328166087 350376980 /nfs/dbraw/zinc/37/69/80/350376980.db2.gz IXJMVKMMLOXKKG-RYUDHWBXSA-N 1 3 214.353 1.079 20 0 BDADHO CC(C)(CO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128085923 490571900 /nfs/dbraw/zinc/57/19/00/490571900.db2.gz FHJANRABLLOVGM-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)(CO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128085923 490571904 /nfs/dbraw/zinc/57/19/04/490571904.db2.gz FHJANRABLLOVGM-VXGBXAGGSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+]1CC[C@@H](N[C@@H]2COCC2(C)C)CC1(C)C ZINC000623541684 362960048 /nfs/dbraw/zinc/96/00/48/362960048.db2.gz TWFZMRDYPGWJTN-VXGBXAGGSA-N 1 3 240.391 1.874 20 0 BDADHO C[N@H+]1CC[C@@H](N[C@@H]2COCC2(C)C)CC1(C)C ZINC000623541684 362960054 /nfs/dbraw/zinc/96/00/54/362960054.db2.gz TWFZMRDYPGWJTN-VXGBXAGGSA-N 1 3 240.391 1.874 20 0 BDADHO CCc1cc(CNC2CCC(C[NH3+])CC2)on1 ZINC000577482225 365963622 /nfs/dbraw/zinc/96/36/22/365963622.db2.gz LFNRAVGHUZYWNL-UHFFFAOYSA-N 1 3 237.347 1.844 20 0 BDADHO C(C1CC1)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@@H]2C1 ZINC000361303307 191117755 /nfs/dbraw/zinc/11/77/55/191117755.db2.gz HSSLLSURFGAWNQ-MELADBBJSA-N 1 3 220.360 1.813 20 0 BDADHO C(C1CC1)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@@H]2C1 ZINC000361303307 191117757 /nfs/dbraw/zinc/11/77/57/191117757.db2.gz HSSLLSURFGAWNQ-MELADBBJSA-N 1 3 220.360 1.813 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000251929355 362987649 /nfs/dbraw/zinc/98/76/49/362987649.db2.gz YPLLHDHUWPWLPF-UTUOFQBUSA-N 1 3 212.337 1.225 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[C@H](C)O2)CC[C@H]1[NH3+] ZINC000251865289 350905825 /nfs/dbraw/zinc/90/58/25/350905825.db2.gz TZBXVQJDUAHLEG-QNWHQSFQSA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637817358 351661757 /nfs/dbraw/zinc/66/17/57/351661757.db2.gz UQKXFLCSLOAYNQ-RYUDHWBXSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000637818781 351658926 /nfs/dbraw/zinc/65/89/26/351658926.db2.gz FPAOWIUGJVJHPZ-HTAVTVPLSA-N 1 3 241.379 1.136 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000637844415 351700076 /nfs/dbraw/zinc/70/00/76/351700076.db2.gz NNNBNVWUSGLLMT-NEPJUHHUSA-N 1 3 243.395 1.240 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CCC(C)C ZINC000637858486 351720245 /nfs/dbraw/zinc/72/02/45/351720245.db2.gz FKYBLXWFCJMJBA-LLVKDONJSA-N 1 3 243.395 1.384 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CCC(C)C ZINC000637867599 351731330 /nfs/dbraw/zinc/73/13/30/351731330.db2.gz VUMAHSJMVMMIGU-NEPJUHHUSA-N 1 3 243.395 1.384 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000638196213 352060485 /nfs/dbraw/zinc/06/04/85/352060485.db2.gz QRUVSXWNUIOXMR-NSHDSACASA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638175102 352040902 /nfs/dbraw/zinc/04/09/02/352040902.db2.gz WMHHZPZHJNWWHM-ZDUSSCGKSA-N 1 3 249.358 1.847 20 0 BDADHO CO[C@@]1(C[NH2+]CCCN(C)C(C)C)CCOC1 ZINC000638337195 352156204 /nfs/dbraw/zinc/15/62/04/352156204.db2.gz CQTIDRWAEVRHHP-CYBMUJFWSA-N 1 3 244.379 1.112 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000638381347 352193471 /nfs/dbraw/zinc/19/34/71/352193471.db2.gz KIWYSVDBZDIRDN-JSGCOSHPSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000638396223 352203157 /nfs/dbraw/zinc/20/31/57/352203157.db2.gz JEJDSWWIDASWKN-SRVKXCTJSA-N 1 3 241.379 1.088 20 0 BDADHO C[C@H](CCN(C)C)[NH2+]Cc1cccc(F)c1N ZINC000638466246 352277737 /nfs/dbraw/zinc/27/77/37/352277737.db2.gz IGTBRLVMHIDKHI-SNVBAGLBSA-N 1 3 239.338 1.838 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414949124 352370327 /nfs/dbraw/zinc/37/03/27/352370327.db2.gz NBQLRGSMQBOANU-AVGNSLFASA-N 1 3 228.380 1.778 20 0 BDADHO COC[C@H](CC(C)C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414949124 352370331 /nfs/dbraw/zinc/37/03/31/352370331.db2.gz NBQLRGSMQBOANU-AVGNSLFASA-N 1 3 228.380 1.778 20 0 BDADHO CC(C)COCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261589649 535177648 /nfs/dbraw/zinc/17/76/48/535177648.db2.gz UAFWAMOFMXWPNY-AVGNSLFASA-N 1 3 226.364 1.328 20 0 BDADHO CCSCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000405468467 352381802 /nfs/dbraw/zinc/38/18/02/352381802.db2.gz KJGBJRLTEOWGKZ-RKDXNWHRSA-N 1 3 202.367 1.455 20 0 BDADHO CCSCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405468467 352381803 /nfs/dbraw/zinc/38/18/03/352381803.db2.gz KJGBJRLTEOWGKZ-RKDXNWHRSA-N 1 3 202.367 1.455 20 0 BDADHO Cc1cc(C[NH2+][C@H](C)[C@H](C)N)ccc1F ZINC000415011568 352546503 /nfs/dbraw/zinc/54/65/03/352546503.db2.gz QSTIOKFLYWBPCL-VHSXEESVSA-N 1 3 210.296 1.959 20 0 BDADHO C[C@@H]1[C@@H](CO)CCCN1CC[C@H]1CCC[N@@H+]1C ZINC000412079249 191253850 /nfs/dbraw/zinc/25/38/50/191253850.db2.gz LCEIAKSSWIXSJR-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1[C@@H](CO)CCCN1CC[C@H]1CCC[N@H+]1C ZINC000412079249 191253852 /nfs/dbraw/zinc/25/38/52/191253852.db2.gz LCEIAKSSWIXSJR-MGPQQGTHSA-N 1 3 240.391 1.564 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638815219 352996582 /nfs/dbraw/zinc/99/65/82/352996582.db2.gz BHHULMMZQDXKCY-SRVKXCTJSA-N 1 3 241.379 1.090 20 0 BDADHO COC1CCC([NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000414846928 259434123 /nfs/dbraw/zinc/43/41/23/259434123.db2.gz FMBDTUCZTMSXQB-KBHBFKLGSA-N 1 3 240.391 1.922 20 0 BDADHO CCN1CCCC[C@@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000193309782 353589607 /nfs/dbraw/zinc/58/96/07/353589607.db2.gz DFIAOTSRUDMDDJ-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)COCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000232663759 353752866 /nfs/dbraw/zinc/75/28/66/353752866.db2.gz KYZHLJMLJQLVOZ-OLZOCXBDSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[NH+](CCC)CCCNC(=O)C(C)(C)N ZINC000165833239 353741993 /nfs/dbraw/zinc/74/19/93/353741993.db2.gz PVOQHLCSWKDAFJ-UHFFFAOYSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@@H](C[NH2+]C1CCOCC1)CN1CCCCC1 ZINC000038041968 358481734 /nfs/dbraw/zinc/48/17/34/358481734.db2.gz LWTNIMAQRBBMFN-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000344068297 354131306 /nfs/dbraw/zinc/13/13/06/354131306.db2.gz VGXPXKODCKVSGM-MELADBBJSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@H](C)[N@H+](C)CCCN(C)CCN(C)C ZINC000344029799 354092237 /nfs/dbraw/zinc/09/22/37/354092237.db2.gz AVPNDGJKVNVBHE-ZDUSSCGKSA-N 1 3 229.412 1.600 20 0 BDADHO CC[C@H](C)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344029799 354092239 /nfs/dbraw/zinc/09/22/39/354092239.db2.gz AVPNDGJKVNVBHE-ZDUSSCGKSA-N 1 3 229.412 1.600 20 0 BDADHO CCN1C[C@H]([NH2+]CC2=CCN(C)CC2)[C@@H](C)C1 ZINC000344304467 354215230 /nfs/dbraw/zinc/21/52/30/354215230.db2.gz UKIMGRNKFYCXTD-JSGCOSHPSA-N 1 3 237.391 1.178 20 0 BDADHO CC[N@@H+]1CC[C@H](NCC2=CCCOC2)[C@H](C)C1 ZINC000344511177 354291387 /nfs/dbraw/zinc/29/13/87/354291387.db2.gz IINBRCMIBPJHGX-OCCSQVGLSA-N 1 3 238.375 1.653 20 0 BDADHO CC[N@H+]1CC[C@H](NCC2=CCCOC2)[C@H](C)C1 ZINC000344511177 354291390 /nfs/dbraw/zinc/29/13/90/354291390.db2.gz IINBRCMIBPJHGX-OCCSQVGLSA-N 1 3 238.375 1.653 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NC2CC(F)(F)C2)C1 ZINC000577963763 366148891 /nfs/dbraw/zinc/14/88/91/366148891.db2.gz MZEQJUZZKBTGNR-YUMQZZPRSA-N 1 3 204.264 1.644 20 0 BDADHO C[C@H](O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334624979 354365163 /nfs/dbraw/zinc/36/51/63/354365163.db2.gz SEEGXRPWHTWIFS-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@H](O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334624979 354365166 /nfs/dbraw/zinc/36/51/66/354365166.db2.gz SEEGXRPWHTWIFS-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO CCc1cnc(CNCCCC[NH3+])s1 ZINC000234145869 363415935 /nfs/dbraw/zinc/41/59/35/363415935.db2.gz QWSUSDRTQCFGHO-UHFFFAOYSA-N 1 3 213.350 1.534 20 0 BDADHO CC[C@H](CNC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000346000987 354837309 /nfs/dbraw/zinc/83/73/09/354837309.db2.gz BVRCKROUPYLCER-YUELXQCFSA-N 1 3 248.370 1.350 20 0 BDADHO COCCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000234630624 363425986 /nfs/dbraw/zinc/42/59/86/363425986.db2.gz ZLLBIQTZYZHOSA-NEPJUHHUSA-N 1 3 214.353 1.520 20 0 BDADHO CCc1ncc(CN2CCC(C[NH3+])CC2)s1 ZINC000346690650 355075438 /nfs/dbraw/zinc/07/54/38/355075438.db2.gz UMSNMZKXUDYKTI-UHFFFAOYSA-N 1 3 239.388 1.876 20 0 BDADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2C)CC1 ZINC000346695265 355077287 /nfs/dbraw/zinc/07/72/87/355077287.db2.gz ZKPRFMYSKRQXQJ-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO CC/C=C/CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639227342 355068558 /nfs/dbraw/zinc/06/85/58/355068558.db2.gz LKDCYULFKKNSQS-AATRIKPKSA-N 1 3 240.391 1.778 20 0 BDADHO COC(=O)CCC(C)(C)NC[C@H]1CCC[NH2+]C1 ZINC000346974052 355209173 /nfs/dbraw/zinc/20/91/73/355209173.db2.gz JBYUDZKSOHYZHB-NSHDSACASA-N 1 3 242.363 1.307 20 0 BDADHO COC(=O)CCC(C)(C)[NH2+]C[C@H]1CCCNC1 ZINC000346974052 355209176 /nfs/dbraw/zinc/20/91/76/355209176.db2.gz JBYUDZKSOHYZHB-NSHDSACASA-N 1 3 242.363 1.307 20 0 BDADHO Cc1cc(CN)cc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000335241874 355176481 /nfs/dbraw/zinc/17/64/81/355176481.db2.gz QCCNHKSXKYIFPJ-UHFFFAOYSA-N 1 3 247.342 1.392 20 0 BDADHO Cc1cc(N)cc(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000335241884 355176633 /nfs/dbraw/zinc/17/66/33/355176633.db2.gz QDKFQUPDSKIUJS-CQSZACIVSA-N 1 3 233.359 1.809 20 0 BDADHO COCCCCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000412970946 191345474 /nfs/dbraw/zinc/34/54/74/191345474.db2.gz IXNZVBNDSNTULI-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO COCCCCN(C)CC[C@H]1CCC[N@H+]1C ZINC000412970946 191345476 /nfs/dbraw/zinc/34/54/76/191345476.db2.gz IXNZVBNDSNTULI-CYBMUJFWSA-N 1 3 228.380 1.829 20 0 BDADHO CCCCOCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113516117 355252736 /nfs/dbraw/zinc/25/27/36/355252736.db2.gz ICJAZTPLRUNNPB-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO CCCCOCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113516117 355252737 /nfs/dbraw/zinc/25/27/37/355252737.db2.gz ICJAZTPLRUNNPB-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO C[C@@H](NC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000389107883 355677272 /nfs/dbraw/zinc/67/72/72/355677272.db2.gz MKVPZFJLQHDQAW-SYQHCUMBSA-N 1 3 240.391 1.922 20 0 BDADHO C/C=C\CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639352231 355801306 /nfs/dbraw/zinc/80/13/06/355801306.db2.gz FPGDKXNPRHDRHQ-PLNGDYQASA-N 1 3 226.364 1.387 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccnn1C ZINC000192249738 356078295 /nfs/dbraw/zinc/07/82/95/356078295.db2.gz JRCNPMXQMBPFOY-VXGBXAGGSA-N 1 3 248.374 1.555 20 0 BDADHO C[C@H]1CN(CCCc2ccncc2)CC[C@@H]1[NH3+] ZINC000420297283 192205659 /nfs/dbraw/zinc/20/56/59/192205659.db2.gz YLIKLFWDRXQHQC-JSGCOSHPSA-N 1 3 233.359 1.683 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000336119422 134089653 /nfs/dbraw/zinc/08/96/53/134089653.db2.gz NPVWLSQENNORMR-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000336119422 134089654 /nfs/dbraw/zinc/08/96/54/134089654.db2.gz NPVWLSQENNORMR-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)OC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000420286393 192200931 /nfs/dbraw/zinc/20/09/31/192200931.db2.gz GGHJIFLRGNKGQY-LBPRGKRZSA-N 1 3 244.379 1.633 20 0 BDADHO CO[C@]1(C)C[C@H]([N@H+](C)CCCN)C1(C)C ZINC000420308441 192210639 /nfs/dbraw/zinc/21/06/39/192210639.db2.gz SGDZPQCRRXVZJW-CMPLNLGQSA-N 1 3 214.353 1.471 20 0 BDADHO CO[C@]1(C)C[C@H]([N@@H+](C)CCCN)C1(C)C ZINC000420308441 192210642 /nfs/dbraw/zinc/21/06/42/192210642.db2.gz SGDZPQCRRXVZJW-CMPLNLGQSA-N 1 3 214.353 1.471 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000420311132 192211673 /nfs/dbraw/zinc/21/16/73/192211673.db2.gz GVJLWCMFDISWLQ-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CCCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000420311132 192211675 /nfs/dbraw/zinc/21/16/75/192211675.db2.gz GVJLWCMFDISWLQ-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO CCN(CCC(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000420321385 192227685 /nfs/dbraw/zinc/22/76/85/192227685.db2.gz ZYXBILNHAVVMQR-NSHDSACASA-N 1 3 228.336 1.014 20 0 BDADHO COC(=O)CC1(CN[C@@](C)(C[NH3+])C(C)C)CC1 ZINC000420325053 192229442 /nfs/dbraw/zinc/22/94/42/192229442.db2.gz WBBQBFNPTRQEFL-LBPRGKRZSA-N 1 3 242.363 1.293 20 0 BDADHO CN(C[C@H](O)C[NH3+])[C@H]1CCCc2ccccc21 ZINC000420356621 192220171 /nfs/dbraw/zinc/22/01/71/192220171.db2.gz RCCOURJRCBQFBS-OCCSQVGLSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@H+](C[C@H](O)CN)[C@H]1CCCc2ccccc21 ZINC000420356621 192220174 /nfs/dbraw/zinc/22/01/74/192220174.db2.gz RCCOURJRCBQFBS-OCCSQVGLSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@@H+](C[C@H](O)CN)[C@H]1CCCc2ccccc21 ZINC000420356621 192220175 /nfs/dbraw/zinc/22/01/75/192220175.db2.gz RCCOURJRCBQFBS-OCCSQVGLSA-N 1 3 234.343 1.315 20 0 BDADHO CCOC(=O)[C@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420360305 192221174 /nfs/dbraw/zinc/22/11/74/192221174.db2.gz LWCFOSDSDGRJTF-NWDGAFQWSA-N 1 3 240.347 1.014 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@@H+]1CCCc1ccncc1 ZINC000420360556 192221521 /nfs/dbraw/zinc/22/15/21/192221521.db2.gz XCMVJIREKAXVFK-AAEUAGOBSA-N 1 3 219.332 1.436 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@H+]1CCCc1ccncc1 ZINC000420360556 192221525 /nfs/dbraw/zinc/22/15/25/192221525.db2.gz XCMVJIREKAXVFK-AAEUAGOBSA-N 1 3 219.332 1.436 20 0 BDADHO C[NH2+]CCCN(C)CCCCCOC ZINC000420392940 192236062 /nfs/dbraw/zinc/23/60/62/192236062.db2.gz WQDMXXQIZZVEPD-UHFFFAOYSA-N 1 3 202.342 1.344 20 0 BDADHO CNCCC[N@H+](C)CCCCCOC ZINC000420392940 192236065 /nfs/dbraw/zinc/23/60/65/192236065.db2.gz WQDMXXQIZZVEPD-UHFFFAOYSA-N 1 3 202.342 1.344 20 0 BDADHO CNCCC[N@@H+](C)CCCCCOC ZINC000420392940 192236067 /nfs/dbraw/zinc/23/60/67/192236067.db2.gz WQDMXXQIZZVEPD-UHFFFAOYSA-N 1 3 202.342 1.344 20 0 BDADHO C[NH2+]CCCN[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000420393476 192236731 /nfs/dbraw/zinc/23/67/31/192236731.db2.gz CDPGFOXIUJUZOZ-LSDHHAIUSA-N 1 3 247.386 1.631 20 0 BDADHO C[NH2+]CCCN(C)CCCc1ccncc1 ZINC000420389903 192237392 /nfs/dbraw/zinc/23/73/92/192237392.db2.gz MKOJDFIAMMHOJQ-UHFFFAOYSA-N 1 3 221.348 1.556 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000420409375 192239645 /nfs/dbraw/zinc/23/96/45/192239645.db2.gz QNRLWGWNWFWWCV-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO CNCCC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000420409375 192239646 /nfs/dbraw/zinc/23/96/46/192239646.db2.gz QNRLWGWNWFWWCV-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO COCC[C@H](C)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420375781 192232420 /nfs/dbraw/zinc/23/24/20/192232420.db2.gz UMIDWCYVTHAVHO-FIQHERPVSA-N 1 3 214.353 1.388 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC[C@@H]1CCCCO1 ZINC000420381231 192233214 /nfs/dbraw/zinc/23/32/14/192233214.db2.gz ZBIQHUHURXHPAP-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917131 192273076 /nfs/dbraw/zinc/27/30/76/192273076.db2.gz QPJJZVAFIALZDT-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1C[C@@H](O)C1 ZINC000420917131 192273079 /nfs/dbraw/zinc/27/30/79/192273079.db2.gz QPJJZVAFIALZDT-MELADBBJSA-N 1 3 240.391 1.564 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420930882 192286855 /nfs/dbraw/zinc/28/68/55/192286855.db2.gz CTYRZQZBXVDJLP-UONOGXRCSA-N 1 3 242.407 1.669 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420930882 192286856 /nfs/dbraw/zinc/28/68/56/192286856.db2.gz CTYRZQZBXVDJLP-UONOGXRCSA-N 1 3 242.407 1.669 20 0 BDADHO C[C@H]1OCC[C@@H]1CN(C)CCC[NH+]1CCCC1 ZINC000639621961 356540700 /nfs/dbraw/zinc/54/07/00/356540700.db2.gz CCKAZQXSOXCXNA-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CCC([NH2+]CCN2CCCC2(C)C)CC1 ZINC000449781670 202035698 /nfs/dbraw/zinc/03/56/98/202035698.db2.gz JCFFFZXJGUYMIA-UHFFFAOYSA-N 1 3 239.407 1.545 20 0 BDADHO CO[C@@H]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423013727 192540852 /nfs/dbraw/zinc/54/08/52/192540852.db2.gz GLSSKKNAPJYIFG-BEUHCMRWSA-N 1 3 238.375 1.674 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H](CO)Cc1ccccc1 ZINC000423056784 192553900 /nfs/dbraw/zinc/55/39/00/192553900.db2.gz GGZRUESVYYMBOJ-OBJOEFQTSA-N 1 3 236.359 1.305 20 0 BDADHO C[C@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000167640947 134153325 /nfs/dbraw/zinc/15/33/25/134153325.db2.gz LLWSBTZKBUWYNG-TUAOUCFPSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CNC1 ZINC000423116285 192574551 /nfs/dbraw/zinc/57/45/51/192574551.db2.gz PEYVNBKLFNGXAH-RNJOBUHISA-N 1 3 240.391 1.778 20 0 BDADHO C[NH+](C)CCCNCc1cccc2n[nH]cc21 ZINC000623336206 356723242 /nfs/dbraw/zinc/72/32/42/356723242.db2.gz BWFQHXWFKIIVFG-UHFFFAOYSA-N 1 3 232.331 1.604 20 0 BDADHO CC[C@H](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160937 192598688 /nfs/dbraw/zinc/59/86/88/192598688.db2.gz RIYWSVOWDJHTJZ-MWWBDVBNSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000423174002 192608892 /nfs/dbraw/zinc/60/88/92/192608892.db2.gz AWVRVFMPFCVCBU-RFGFWPKPSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCCC[C@H]2O)C[C@@H]1CN ZINC000393358739 357307929 /nfs/dbraw/zinc/30/79/29/357307929.db2.gz RNTPFJANOVWFOQ-ZOBORPQBSA-N 1 3 240.391 1.454 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C[C@@H]1CN ZINC000393358739 357307934 /nfs/dbraw/zinc/30/79/34/357307934.db2.gz RNTPFJANOVWFOQ-ZOBORPQBSA-N 1 3 240.391 1.454 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000393434831 357309020 /nfs/dbraw/zinc/30/90/20/357309020.db2.gz WLXZWDSRDQKEQU-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000423285312 192678387 /nfs/dbraw/zinc/67/83/87/192678387.db2.gz ZINLJTWXOLGYCA-SRVKXCTJSA-N 1 3 216.344 1.960 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000230489531 357526724 /nfs/dbraw/zinc/52/67/24/357526724.db2.gz GWWFJJGUSHFLBX-HZSPNIEDSA-N 1 3 242.407 1.891 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188558242 357562015 /nfs/dbraw/zinc/56/20/15/357562015.db2.gz XBAZIKGNRDDGIH-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000188558242 357562016 /nfs/dbraw/zinc/56/20/16/357562016.db2.gz XBAZIKGNRDDGIH-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)CCOCCN1CC[C@](C)(C[NH3+])C1 ZINC000232566885 357671068 /nfs/dbraw/zinc/67/10/68/357671068.db2.gz ITJMLIDMHSMKBN-CYBMUJFWSA-N 1 3 228.380 1.720 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000398494303 357886189 /nfs/dbraw/zinc/88/61/89/357886189.db2.gz UOYYBTMZHQPLRL-WOPDTQHZSA-N 1 3 214.353 1.397 20 0 BDADHO CC[C@H](O)CNCC[C@H](C)[NH+]1CCCCC1 ZINC000583318111 357901075 /nfs/dbraw/zinc/90/10/75/357901075.db2.gz QXKCHCXGGLVLGB-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO CC[C@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000583318111 357901078 /nfs/dbraw/zinc/90/10/78/357901078.db2.gz QXKCHCXGGLVLGB-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000217537893 357909242 /nfs/dbraw/zinc/90/92/42/357909242.db2.gz ZRUHHLMXGSBVML-IJLUTSLNSA-N 1 3 225.380 1.329 20 0 BDADHO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000386560244 357930642 /nfs/dbraw/zinc/93/06/42/357930642.db2.gz IXLINWAGASNMSG-NOOOWODRSA-N 1 3 246.420 1.219 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)[C@H](CO)C1 ZINC000639936196 357932289 /nfs/dbraw/zinc/93/22/89/357932289.db2.gz AJLMBTWJROFWTO-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)[C@H](CO)C1 ZINC000639936196 357932291 /nfs/dbraw/zinc/93/22/91/357932291.db2.gz AJLMBTWJROFWTO-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937761 357939149 /nfs/dbraw/zinc/93/91/49/357939149.db2.gz WWAYCEBJIFIHIA-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937761 357939151 /nfs/dbraw/zinc/93/91/51/357939151.db2.gz WWAYCEBJIFIHIA-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CS[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000169077233 134248693 /nfs/dbraw/zinc/24/86/93/134248693.db2.gz HEDDJLBPEWILIN-OPRDCNLKSA-N 1 3 202.367 1.455 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)[C@H](C)CO ZINC000450736278 202246348 /nfs/dbraw/zinc/24/63/48/202246348.db2.gz FCWLHOYLGMWJQY-UTUOFQBUSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)[C@H](C)CO ZINC000450736277 202251549 /nfs/dbraw/zinc/25/15/49/202251549.db2.gz FCWLHOYLGMWJQY-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCCCO)C1 ZINC000229106715 358344899 /nfs/dbraw/zinc/34/48/99/358344899.db2.gz ROCOLGQTIBMMFJ-MNOVXSKESA-N 1 3 200.326 1.009 20 0 BDADHO COCCCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000227257083 358352275 /nfs/dbraw/zinc/35/22/75/358352275.db2.gz BNMZFLFIBLBRDU-RYUDHWBXSA-N 1 3 214.353 1.615 20 0 BDADHO CC(C)(CCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000227905689 358365917 /nfs/dbraw/zinc/36/59/17/358365917.db2.gz KUBVSPNWFAVNAL-WDEREUQCSA-N 1 3 214.353 1.255 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000230209557 358396373 /nfs/dbraw/zinc/39/63/73/358396373.db2.gz DLYYIGLMBAYDTF-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO CCC(CC)(CO)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000230209557 358396376 /nfs/dbraw/zinc/39/63/76/358396376.db2.gz DLYYIGLMBAYDTF-RYUDHWBXSA-N 1 3 228.380 1.645 20 0 BDADHO CSC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000229350008 358402638 /nfs/dbraw/zinc/40/26/38/358402638.db2.gz ASGIFFBKSUQOAI-AEJSXWLSSA-N 1 3 202.367 1.597 20 0 BDADHO CSC[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000229350008 358402641 /nfs/dbraw/zinc/40/26/41/358402641.db2.gz ASGIFFBKSUQOAI-AEJSXWLSSA-N 1 3 202.367 1.597 20 0 BDADHO CCCC[C@H](C)[NH2+]CCOCCN(C)C ZINC000219316362 134281606 /nfs/dbraw/zinc/28/16/06/134281606.db2.gz GZWSKVDLDZTIGZ-LBPRGKRZSA-N 1 3 216.369 1.733 20 0 BDADHO Cc1nccn1CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000130154590 358610431 /nfs/dbraw/zinc/61/04/31/358610431.db2.gz QBKNZEFZMHJDCV-AAEUAGOBSA-N 1 3 236.363 1.121 20 0 BDADHO CCCC[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575514 358695274 /nfs/dbraw/zinc/69/52/74/358695274.db2.gz BJCQDSUXOBGTDY-LBPRGKRZSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H]1OCC[C@H]1NCCC[NH+]1CCCCC1 ZINC000133959723 358774631 /nfs/dbraw/zinc/77/46/31/358774631.db2.gz PTUHJZRPYXOAMY-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO CC(C)N1CC[C@@H](C[NH2+]C2CSC2)C1 ZINC000308549923 491136953 /nfs/dbraw/zinc/13/69/53/491136953.db2.gz XCIDBDGNPHZILU-JTQLQIEISA-N 1 3 214.378 1.422 20 0 BDADHO COCCCCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578323819 366512364 /nfs/dbraw/zinc/51/23/64/366512364.db2.gz XUOCDGMRCDMDIK-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO COCCCC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000578323819 366512366 /nfs/dbraw/zinc/51/23/66/366512366.db2.gz XUOCDGMRCDMDIK-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO COCCCC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000578323819 366512370 /nfs/dbraw/zinc/51/23/70/366512370.db2.gz XUOCDGMRCDMDIK-ZDUSSCGKSA-N 1 3 226.364 1.489 20 0 BDADHO CNCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000578324050 366512526 /nfs/dbraw/zinc/51/25/26/366512526.db2.gz HKNCSHDTFIEIPA-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CCO1 ZINC000069859066 359034712 /nfs/dbraw/zinc/03/47/12/359034712.db2.gz KIZBMCGXARNUJA-QWHCGFSZSA-N 1 3 226.364 1.629 20 0 BDADHO C1CC2(C1)CCC[C@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422884 192751079 /nfs/dbraw/zinc/75/10/79/192751079.db2.gz CYJIHERABMLUSX-KXNHARMFSA-N 1 3 206.333 1.517 20 0 BDADHO C[C@@H](CC(C)(C)C)NC[C@@H]1C[NH2+]CCCO1 ZINC000423495739 192794474 /nfs/dbraw/zinc/79/44/74/192794474.db2.gz VEGBYMBAEREAIX-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO CCN(CC)CCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191154101 359533471 /nfs/dbraw/zinc/53/34/71/359533471.db2.gz DECTWJYGMJTJDV-STQMWFEESA-N 1 3 242.407 1.952 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000580465334 359570237 /nfs/dbraw/zinc/57/02/37/359570237.db2.gz FANCYJCFSJRYQW-ZOBORPQBSA-N 1 3 238.375 1.804 20 0 BDADHO CN1CC[C@@H]([NH2+]CCN2CCC2)CC1(C)C ZINC000623470210 359769203 /nfs/dbraw/zinc/76/92/03/359769203.db2.gz FEINWZMIYPQKAW-GFCCVEGCSA-N 1 3 225.380 1.155 20 0 BDADHO C[N@@H+]1CC[C@@H](NCCN2CCC2)CC1(C)C ZINC000623470210 359769208 /nfs/dbraw/zinc/76/92/08/359769208.db2.gz FEINWZMIYPQKAW-GFCCVEGCSA-N 1 3 225.380 1.155 20 0 BDADHO C[N@H+]1CC[C@@H](NCCN2CCC2)CC1(C)C ZINC000623470210 359769213 /nfs/dbraw/zinc/76/92/13/359769213.db2.gz FEINWZMIYPQKAW-GFCCVEGCSA-N 1 3 225.380 1.155 20 0 BDADHO COCC1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000451171038 202368970 /nfs/dbraw/zinc/36/89/70/202368970.db2.gz HGJLSWHFFACBLU-IYXRBSQSSA-N 1 3 242.407 1.979 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCOC1(C)C ZINC000451241295 202384902 /nfs/dbraw/zinc/38/49/02/202384902.db2.gz JBJGNFQEGNVXBU-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@H]1CCOC1(C)C ZINC000451241295 202384906 /nfs/dbraw/zinc/38/49/06/202384906.db2.gz JBJGNFQEGNVXBU-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@H]1CCOC1(C)C ZINC000451241295 202384909 /nfs/dbraw/zinc/38/49/09/202384909.db2.gz JBJGNFQEGNVXBU-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO COC[C@@H](NCC(C)(C)C[NH+](C)C)C1CC1 ZINC000087477021 359914529 /nfs/dbraw/zinc/91/45/29/359914529.db2.gz ZWHCJNYIPHNBRW-GFCCVEGCSA-N 1 3 228.380 1.589 20 0 BDADHO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCCN(CC)CC ZINC000451260887 202390384 /nfs/dbraw/zinc/39/03/84/202390384.db2.gz VDMSMDZFOJZUIJ-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCCN(CC)CC ZINC000451260887 202390386 /nfs/dbraw/zinc/39/03/86/202390386.db2.gz VDMSMDZFOJZUIJ-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@@H]1[C@@H](CO)CCN1CCC[NH+](CC)CC ZINC000451260887 202390390 /nfs/dbraw/zinc/39/03/90/202390390.db2.gz VDMSMDZFOJZUIJ-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO COCCOCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089140596 359992649 /nfs/dbraw/zinc/99/26/49/359992649.db2.gz UDIOZNVQLZJIDW-CHWSQXEVSA-N 1 3 244.379 1.147 20 0 BDADHO COc1cc(CN[C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000089146310 359992704 /nfs/dbraw/zinc/99/27/04/359992704.db2.gz WQNJWAPADNKPNZ-STQMWFEESA-N 1 3 249.358 1.697 20 0 BDADHO C1C[C@@H]2C[C@@H]([NH2+]C3CCOCC3)CCN2C1 ZINC000090714581 360084720 /nfs/dbraw/zinc/08/47/20/360084720.db2.gz BVZBHRHPPHGKLX-QWHCGFSZSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@@H](NC3CCOCC3)CC[N@@H+]2C1 ZINC000090714581 360084726 /nfs/dbraw/zinc/08/47/26/360084726.db2.gz BVZBHRHPPHGKLX-QWHCGFSZSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@@H]2C[C@@H](NC3CCOCC3)CC[N@H+]2C1 ZINC000090714581 360084730 /nfs/dbraw/zinc/08/47/30/360084730.db2.gz BVZBHRHPPHGKLX-QWHCGFSZSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@H](CO)N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488556 360251138 /nfs/dbraw/zinc/25/11/38/360251138.db2.gz PUXUXUZWSPHCIN-YIYPIFLZSA-N 1 3 240.391 1.658 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000629390941 361046014 /nfs/dbraw/zinc/04/60/14/361046014.db2.gz ZTYKKNMQZUBPLR-IFWUJCSASA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]1C[C@H](N[C@H]2CC[C@@H](C)[NH2+]C2)CN1C1CC1 ZINC000629411966 361060506 /nfs/dbraw/zinc/06/05/06/361060506.db2.gz JEIWQKPBBJEQSF-VOAKCMCISA-N 1 3 237.391 1.342 20 0 BDADHO CCO[C@H](CN1CCC[C@@H](C[NH2+]C)C1)C1CC1 ZINC000629507240 361105929 /nfs/dbraw/zinc/10/59/29/361105929.db2.gz AVAOPDNTQNQSGO-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCO[C@@H](CN1CCC[C@H](C[NH2+]C)C1)C1CC1 ZINC000629507242 361106059 /nfs/dbraw/zinc/10/60/59/361106059.db2.gz AVAOPDNTQNQSGO-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1cccc(C)c1 ZINC000629528932 361138010 /nfs/dbraw/zinc/13/80/10/361138010.db2.gz NHNTWBZEOGPQRH-CYBMUJFWSA-N 1 3 236.359 1.882 20 0 BDADHO CCSCC[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000158562711 361203823 /nfs/dbraw/zinc/20/38/23/361203823.db2.gz XGXNPNJTYKMUJU-MNOVXSKESA-N 1 3 216.394 1.941 20 0 BDADHO CCSCC[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000158562711 361203826 /nfs/dbraw/zinc/20/38/26/361203826.db2.gz XGXNPNJTYKMUJU-MNOVXSKESA-N 1 3 216.394 1.941 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CC1(F)F ZINC000622044079 370675380 /nfs/dbraw/zinc/67/53/80/370675380.db2.gz UIFJDDFKJMTOGK-IVZWLZJFSA-N 1 3 218.291 1.749 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CNC1 ZINC000622043945 370675819 /nfs/dbraw/zinc/67/58/19/370675819.db2.gz PZKQEVWOYJKVJA-CBAPKCEASA-N 1 3 204.264 1.229 20 0 BDADHO CC[NH+]1CCC(CN[C@@H](C)c2cn[nH]c2)CC1 ZINC000379722695 361358491 /nfs/dbraw/zinc/35/84/91/361358491.db2.gz JTENMIRZDPYZEZ-NSHDSACASA-N 1 3 236.363 1.792 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)N(CC)CC ZINC000429166719 201076961 /nfs/dbraw/zinc/07/69/61/201076961.db2.gz WZYSQKRIGFEYNR-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]C)N(CC)CC ZINC000429220711 201081053 /nfs/dbraw/zinc/08/10/53/201081053.db2.gz HLMXVKYWFXYIDV-VXGBXAGGSA-N 1 3 243.395 1.079 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429387059 201105988 /nfs/dbraw/zinc/10/59/88/201105988.db2.gz YJPTWDSFHYTXFI-WCQYABFASA-N 1 3 241.379 1.010 20 0 BDADHO CCC[C@@](C)(N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429387058 201106242 /nfs/dbraw/zinc/10/62/42/201106242.db2.gz YJPTWDSFHYTXFI-DGCLKSJQSA-N 1 3 241.379 1.010 20 0 BDADHO CCO[C@H](C[NH2+][C@H]1CCNCC1(C)C)C1CC1 ZINC000629537700 361401249 /nfs/dbraw/zinc/40/12/49/361401249.db2.gz PVAUUQYKQKGCME-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@H](CN[C@H]1CC[NH2+]CC1(C)C)C1CC1 ZINC000629537700 361401250 /nfs/dbraw/zinc/40/12/50/361401250.db2.gz PVAUUQYKQKGCME-OLZOCXBDSA-N 1 3 240.391 1.779 20 0 BDADHO Cc1cncc([C@@H](C)NCCOCCC[NH3+])c1 ZINC000629537686 361401312 /nfs/dbraw/zinc/40/13/12/361401312.db2.gz KOXOOSFRVJYUSP-GFCCVEGCSA-N 1 3 237.347 1.406 20 0 BDADHO Cc1cc([C@@H](C)NCCOCCC[NH3+])oc1C ZINC000629539994 361412862 /nfs/dbraw/zinc/41/28/62/361412862.db2.gz RLZMQIGRWJYDPA-LLVKDONJSA-N 1 3 240.347 1.912 20 0 BDADHO [NH3+]CCCOCCN[C@@H]1CCCc2occc21 ZINC000629539614 361407146 /nfs/dbraw/zinc/40/71/46/361407146.db2.gz QQNBJZUYKPJZTF-GFCCVEGCSA-N 1 3 238.331 1.612 20 0 BDADHO CCC[C@@H](C)CCCNC1(CO)CC[NH2+]CC1 ZINC000629547492 361430311 /nfs/dbraw/zinc/43/03/11/361430311.db2.gz TXYHGSYNZDKEKL-CYBMUJFWSA-N 1 3 242.407 1.907 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN[C@H]1C ZINC000629547124 361430490 /nfs/dbraw/zinc/43/04/90/361430490.db2.gz RPPKCBOJNDQKED-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN(C)CC(F)F ZINC000629554697 361435297 /nfs/dbraw/zinc/43/52/97/361435297.db2.gz NQBRBZNQWWWJBE-WDEREUQCSA-N 1 3 249.349 1.161 20 0 BDADHO C[C@H]1CN(CCOCC[NH3+])C[C@H](C)C1(F)F ZINC000629552275 361435610 /nfs/dbraw/zinc/43/56/10/361435610.db2.gz GRASXKNWWBAGPK-UWVGGRQHSA-N 1 3 236.306 1.185 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000629555009 361436492 /nfs/dbraw/zinc/43/64/92/361436492.db2.gz PXRYQQCFCFMZGX-FVCCEPFGSA-N 1 3 226.364 1.519 20 0 BDADHO CN(CCN[C@@H]1CCC[C@@H]([NH3+])C1)CC(F)F ZINC000629555358 361447790 /nfs/dbraw/zinc/44/77/90/361447790.db2.gz VIXRZCPURKZACI-NXEZZACHSA-N 1 3 235.322 1.043 20 0 BDADHO C[C@@H](NCCOCCC[NH3+])c1cccnc1 ZINC000629541868 361418143 /nfs/dbraw/zinc/41/81/43/361418143.db2.gz SOQGEJCDVWSZNK-LLVKDONJSA-N 1 3 223.320 1.098 20 0 BDADHO Cc1cccc([C@H](C)N(C)CCOCC[NH3+])c1 ZINC000629579909 361465699 /nfs/dbraw/zinc/46/56/99/361465699.db2.gz YAHYFZLJVXKNGL-ZDUSSCGKSA-N 1 3 236.359 1.963 20 0 BDADHO C[NH2+]CCOCCN(C)[C@@H](C)c1ccccc1 ZINC000629565818 361457057 /nfs/dbraw/zinc/45/70/57/361457057.db2.gz HMTMNNPQNMYBKF-ZDUSSCGKSA-N 1 3 236.359 1.915 20 0 BDADHO C[NH2+]CCOCCN(C)CCc1ccccc1 ZINC000629566235 361457858 /nfs/dbraw/zinc/45/78/58/361457858.db2.gz IMYUJRXJYTWRTQ-UHFFFAOYSA-N 1 3 236.359 1.397 20 0 BDADHO CC[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C ZINC000629611886 361502658 /nfs/dbraw/zinc/50/26/58/361502658.db2.gz JHJQMBCUOLTVKZ-NEPJUHHUSA-N 1 3 243.395 1.158 20 0 BDADHO Cn1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000629647232 361536637 /nfs/dbraw/zinc/53/66/37/361536637.db2.gz NONKBFWHJWHQJY-MELADBBJSA-N 1 3 233.359 1.584 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccn(C)c2)C1 ZINC000629647550 361538255 /nfs/dbraw/zinc/53/82/55/361538255.db2.gz ZEPWVRTZKWQOJP-CMPLNLGQSA-N 1 3 207.321 1.194 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000629650816 361547419 /nfs/dbraw/zinc/54/74/19/361547419.db2.gz FUSMNUZGOHOUMS-LLVKDONJSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH2+]CCOCCN(C)Cc1cccc(O)c1 ZINC000629652250 361549799 /nfs/dbraw/zinc/54/97/99/361549799.db2.gz DSGCZFUAVQRCNW-UHFFFAOYSA-N 1 3 238.331 1.060 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CC3=CCCOC3)C[C@H]21 ZINC000629646700 361532502 /nfs/dbraw/zinc/53/25/02/361532502.db2.gz CHBGIHXVFWPJEL-BFHYXJOUSA-N 1 3 236.359 1.392 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739543 361574557 /nfs/dbraw/zinc/57/45/57/361574557.db2.gz ZREMEQCTKKJMGV-QWHCGFSZSA-N 1 3 224.348 1.440 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCC1=CCCOC1 ZINC000379739543 361574561 /nfs/dbraw/zinc/57/45/61/361574561.db2.gz ZREMEQCTKKJMGV-QWHCGFSZSA-N 1 3 224.348 1.440 20 0 BDADHO C[C@H]([NH3+])CCC(=O)NCCN1CCCC[C@H]1C ZINC000434671576 201232325 /nfs/dbraw/zinc/23/23/25/201232325.db2.gz IMCNOUKNDVXQMA-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO CCOCCN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000161908136 201240392 /nfs/dbraw/zinc/24/03/92/201240392.db2.gz NKUDENWXOTXFOW-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CCOCCN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000161908136 201240394 /nfs/dbraw/zinc/24/03/94/201240394.db2.gz NKUDENWXOTXFOW-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CN[C@@H](CO)c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723591 361665795 /nfs/dbraw/zinc/66/57/95/361665795.db2.gz PXMHBJFFFPEXDC-AWEZNQCLSA-N 1 3 232.327 1.316 20 0 BDADHO CCN(CCOCC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627465 201278993 /nfs/dbraw/zinc/27/89/93/201278993.db2.gz NOCXXTQTJYQDBR-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@H+](CCCCOC)[C@H]1CCCNCC1 ZINC000435614261 201280433 /nfs/dbraw/zinc/28/04/33/201280433.db2.gz LYGXYGZUVGTSLS-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CC[N@@H+](CCCCOC)[C@H]1CCCNCC1 ZINC000435614261 201280438 /nfs/dbraw/zinc/28/04/38/201280438.db2.gz LYGXYGZUVGTSLS-ZDUSSCGKSA-N 1 3 228.380 1.877 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000154558668 201282686 /nfs/dbraw/zinc/28/26/86/201282686.db2.gz ANAPOPCTAAQWFF-CMPLNLGQSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000154558668 201282689 /nfs/dbraw/zinc/28/26/89/201282689.db2.gz ANAPOPCTAAQWFF-CMPLNLGQSA-N 1 3 241.379 1.103 20 0 BDADHO CNCCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000435873144 201290667 /nfs/dbraw/zinc/29/06/67/201290667.db2.gz TYHNYAPAZZVXPW-TZMCWYRMSA-N 1 3 242.407 1.763 20 0 BDADHO C[NH2+]CCCN[C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000435873144 201290668 /nfs/dbraw/zinc/29/06/68/201290668.db2.gz TYHNYAPAZZVXPW-TZMCWYRMSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@H]1OCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000133960781 364380182 /nfs/dbraw/zinc/38/01/82/364380182.db2.gz WOHQUHBXFDHEBR-NEPJUHHUSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@H]1OCC[C@@H]1NCCC[NH+]1CCCC1 ZINC000133960781 364380188 /nfs/dbraw/zinc/38/01/88/364380188.db2.gz WOHQUHBXFDHEBR-NEPJUHHUSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CCCOC1 ZINC000398976433 364401365 /nfs/dbraw/zinc/40/13/65/364401365.db2.gz CYZPNRXIIJAHMT-XQHKEYJVSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](CCCCO)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398996351 364667411 /nfs/dbraw/zinc/66/74/11/364667411.db2.gz ABZANKVCYRDBBM-GRYCIOLGSA-N 1 3 214.353 1.268 20 0 BDADHO C[C@H](O)CCNC1CC[NH+](CC2CC2)CC1 ZINC000167740769 364807552 /nfs/dbraw/zinc/80/75/52/364807552.db2.gz AJCZZXZBAJNCMJ-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C1 ZINC000573696604 364896952 /nfs/dbraw/zinc/89/69/52/364896952.db2.gz KNZDFSMCYAABPQ-MLGHIDQZSA-N 1 3 224.348 1.413 20 0 BDADHO N[C@H]1CCCc2cn(CCC3CC[NH2+]CC3)nc21 ZINC000573833874 364927000 /nfs/dbraw/zinc/92/70/00/364927000.db2.gz HMMLAAUEBJBQAM-ZDUSSCGKSA-N 1 3 248.374 1.609 20 0 BDADHO CC[NH2+]CCCN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000574440887 365059125 /nfs/dbraw/zinc/05/91/25/365059125.db2.gz PLLZPFDOANPWRD-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOC[C@@H]1CCCO1 ZINC000575060265 365182716 /nfs/dbraw/zinc/18/27/16/365182716.db2.gz ARJWHJYZKZGABV-QWHCGFSZSA-N 1 3 244.379 1.145 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000575402116 365311252 /nfs/dbraw/zinc/31/12/52/365311252.db2.gz DPWKGPKETONNEN-LLVKDONJSA-N 1 3 221.304 1.082 20 0 BDADHO CCn1ccnc1CNCC1(C)CC[NH2+]CC1 ZINC000580536533 365338497 /nfs/dbraw/zinc/33/84/97/365338497.db2.gz PJOPJTBMRLITBM-UHFFFAOYSA-N 1 3 236.363 1.382 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCOC[C@@H]2CCCO2)C1 ZINC000576002860 365444913 /nfs/dbraw/zinc/44/49/13/365444913.db2.gz FOYNVVVQKXQVLW-AGIUHOORSA-N 1 3 242.363 1.042 20 0 BDADHO [NH3+]CCCNC1(c2ccccc2)CCOCC1 ZINC000576209482 365522132 /nfs/dbraw/zinc/52/21/32/365522132.db2.gz YHBZMWJCRVPJCX-UHFFFAOYSA-N 1 3 234.343 1.631 20 0 BDADHO COCCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702410 367140731 /nfs/dbraw/zinc/14/07/31/367140731.db2.gz ZRNOQLKCFAGNSP-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COCCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702410 367140736 /nfs/dbraw/zinc/14/07/36/367140736.db2.gz ZRNOQLKCFAGNSP-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO COCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185702410 367140738 /nfs/dbraw/zinc/14/07/38/367140738.db2.gz ZRNOQLKCFAGNSP-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000580893225 367200364 /nfs/dbraw/zinc/20/03/64/367200364.db2.gz YXFWVZVYGJRLOQ-UHFFFAOYSA-N 1 3 249.358 1.780 20 0 BDADHO CC[NH2+]CCCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000581125272 367270283 /nfs/dbraw/zinc/27/02/83/367270283.db2.gz FHVHUXHKTLHIKD-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO CCNCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000581125272 367270288 /nfs/dbraw/zinc/27/02/88/367270288.db2.gz FHVHUXHKTLHIKD-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)NC1CC1 ZINC000581370379 367402209 /nfs/dbraw/zinc/40/22/09/367402209.db2.gz SNBDEPJCUFBJAT-SNVBAGLBSA-N 1 3 247.342 1.485 20 0 BDADHO C[C@@H]([NH2+]CCCNC1CC1)C1CCOCC1 ZINC000382581145 367545539 /nfs/dbraw/zinc/54/55/39/367545539.db2.gz MDSVFZVQDPJSHN-LLVKDONJSA-N 1 3 226.364 1.533 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000382384084 367513445 /nfs/dbraw/zinc/51/34/45/367513445.db2.gz KWUKGRHOVGOBNB-IHRRRGAJSA-N 1 3 240.391 1.741 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000382384084 367513446 /nfs/dbraw/zinc/51/34/46/367513446.db2.gz KWUKGRHOVGOBNB-IHRRRGAJSA-N 1 3 240.391 1.741 20 0 BDADHO [NH3+]CCCN1CC[C@H](COCc2ccccc2)C1 ZINC000383939413 367661243 /nfs/dbraw/zinc/66/12/43/367661243.db2.gz KZXGOLXDKKPFTI-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000383939413 367661248 /nfs/dbraw/zinc/66/12/48/367661248.db2.gz KZXGOLXDKKPFTI-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000383939413 367661253 /nfs/dbraw/zinc/66/12/53/367661253.db2.gz KZXGOLXDKKPFTI-HNNXBMFYSA-N 1 3 248.370 1.874 20 0 BDADHO CCO[C@@H]1C[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000581720383 367783103 /nfs/dbraw/zinc/78/31/03/367783103.db2.gz PYGDJBGEBGJAPM-FIQHERPVSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@H](NC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386091897 367911173 /nfs/dbraw/zinc/91/11/73/367911173.db2.gz IGVNRCQBDQLONM-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CC[C@H](NCC[C@@H]2CCOC2)C[NH2+]1 ZINC000399238936 367911562 /nfs/dbraw/zinc/91/15/62/367911562.db2.gz STVXVGRIHLCGJO-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@@H](CO)C1)[C@@H]1CCCC[NH2+]1 ZINC000385956251 367889305 /nfs/dbraw/zinc/88/93/05/367889305.db2.gz DMIXETXWUMXWIN-DGAVXFQQSA-N 1 3 240.391 1.658 20 0 BDADHO COCC(C)(C)CN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386547554 367990870 /nfs/dbraw/zinc/99/08/70/367990870.db2.gz GDFMNZYNIAMNQU-VXGBXAGGSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](NC[C@@H]1CCSC1)[C@H]1CCCC[NH2+]1 ZINC000386598726 368000443 /nfs/dbraw/zinc/00/04/43/368000443.db2.gz UCTBKQQUKXKCMU-SDDRHHMPSA-N 1 3 228.405 1.860 20 0 BDADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)n(C)n1 ZINC000089183518 368938342 /nfs/dbraw/zinc/93/83/42/368938342.db2.gz HYCOHVFTEFDLTH-LBPRGKRZSA-N 1 3 236.363 1.160 20 0 BDADHO CN1CCCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000623656372 368993286 /nfs/dbraw/zinc/99/32/86/368993286.db2.gz SSVPHBIYFNJAGY-GFCCVEGCSA-N 1 3 226.364 1.487 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC[C@@H](C)O ZINC000459407341 203277807 /nfs/dbraw/zinc/27/78/07/203277807.db2.gz LXPSYKMCRJPCMG-MCIONIFRSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)O ZINC000459407341 203277811 /nfs/dbraw/zinc/27/78/11/203277811.db2.gz LXPSYKMCRJPCMG-MCIONIFRSA-N 1 3 242.407 1.857 20 0 BDADHO C[C@H](c1cccnc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000252699923 370117159 /nfs/dbraw/zinc/11/71/59/370117159.db2.gz WYJDESBQTYMWOO-UTUOFQBUSA-N 1 3 219.332 1.812 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295337 326342988 /nfs/dbraw/zinc/34/29/88/326342988.db2.gz YMBVTIMQPGHXTD-KXNHARMFSA-N 1 3 212.337 1.007 20 0 BDADHO Cc1ncc(C[NH2+]C[C@@H]2CCCN(C)C2)n1C ZINC000568414582 326356391 /nfs/dbraw/zinc/35/63/91/326356391.db2.gz OXLDFBFDCDGAMP-LBPRGKRZSA-N 1 3 236.363 1.160 20 0 BDADHO CCn1cc(CCN2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775220 370521777 /nfs/dbraw/zinc/52/17/77/370521777.db2.gz IVMVTYVVQCDKJE-AAEUAGOBSA-N 1 3 236.363 1.115 20 0 BDADHO [NH3+][C@@]12CCC[C@H]1CN(CC1CCOCC1)C2 ZINC000621780569 370528482 /nfs/dbraw/zinc/52/84/82/370528482.db2.gz SQPMTSCEMBATGK-QWHCGFSZSA-N 1 3 224.348 1.226 20 0 BDADHO O=c1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000631040035 370997832 /nfs/dbraw/zinc/99/78/32/370997832.db2.gz NZYHDSBFOIFZLX-GFCCVEGCSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c[nH]1 ZINC000631040035 370997833 /nfs/dbraw/zinc/99/78/33/370997833.db2.gz NZYHDSBFOIFZLX-GFCCVEGCSA-N 1 3 247.342 1.361 20 0 BDADHO O=c1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c[nH]1 ZINC000631040035 370997834 /nfs/dbraw/zinc/99/78/34/370997834.db2.gz NZYHDSBFOIFZLX-GFCCVEGCSA-N 1 3 247.342 1.361 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCCCO1 ZINC000623928211 371155908 /nfs/dbraw/zinc/15/59/08/371155908.db2.gz HYZDGAVUUMICPG-OCCSQVGLSA-N 1 3 238.375 1.796 20 0 BDADHO C[C@@](C[NH3+])(NC[C@H]1CCCCO1)C1CC1 ZINC000631823152 372600857 /nfs/dbraw/zinc/60/08/57/372600857.db2.gz XKTFYJCXFZYACF-NEPJUHHUSA-N 1 3 212.337 1.273 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000631823864 372601637 /nfs/dbraw/zinc/60/16/37/372601637.db2.gz PMOQNGJMNMKDAO-AVGNSLFASA-N 1 3 224.348 1.097 20 0 BDADHO C[C@@H]1OCC[C@@H]1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631822583 372598318 /nfs/dbraw/zinc/59/83/18/372598318.db2.gz IOBZWEQGVQWDTH-IZXDZPFWSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000631829658 372612711 /nfs/dbraw/zinc/61/27/11/372612711.db2.gz WZYAIWYTKQNGMI-ZOBORPQBSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000631829658 372612716 /nfs/dbraw/zinc/61/27/16/372612716.db2.gz WZYAIWYTKQNGMI-ZOBORPQBSA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1CN ZINC000631838634 372633360 /nfs/dbraw/zinc/63/33/60/372633360.db2.gz RXFUTSRGOYQZLY-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@H]1CN ZINC000631838634 372633366 /nfs/dbraw/zinc/63/33/66/372633366.db2.gz RXFUTSRGOYQZLY-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631842786 372641244 /nfs/dbraw/zinc/64/12/44/372641244.db2.gz FSDDHOORHKTCAZ-TZMCWYRMSA-N 1 3 248.370 1.764 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@@H](CN)[C@H](C)C2)cc1 ZINC000631842786 372641250 /nfs/dbraw/zinc/64/12/50/372641250.db2.gz FSDDHOORHKTCAZ-TZMCWYRMSA-N 1 3 248.370 1.764 20 0 BDADHO COc1ccc(CCN2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000631842786 372641256 /nfs/dbraw/zinc/64/12/56/372641256.db2.gz FSDDHOORHKTCAZ-TZMCWYRMSA-N 1 3 248.370 1.764 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000459734495 206014143 /nfs/dbraw/zinc/01/41/43/206014143.db2.gz CMJJGXCPQQZYMX-FQUUOJAGSA-N 1 3 238.375 1.770 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459734495 206014147 /nfs/dbraw/zinc/01/41/47/206014147.db2.gz CMJJGXCPQQZYMX-FQUUOJAGSA-N 1 3 238.375 1.770 20 0 BDADHO O[C@@H](CN[C@@H]1CCC12CCC2)C[NH+]1CCCC1 ZINC000337533450 183179820 /nfs/dbraw/zinc/17/98/20/183179820.db2.gz WJJCQCQQUROCLI-QWHCGFSZSA-N 1 3 238.375 1.365 20 0 BDADHO CCCN(C)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000359248227 169075768 /nfs/dbraw/zinc/07/57/68/169075768.db2.gz HAKRKFSDSFKWBV-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[NH+]1CCC(NCCn2cccn2)CC1 ZINC000042538632 169187793 /nfs/dbraw/zinc/18/77/93/169187793.db2.gz PKHJMUPRZNAUBG-UHFFFAOYSA-N 1 3 236.363 1.347 20 0 BDADHO CCCN1CCC([NH2+]CCN(CC)CC)CC1 ZINC000019919200 169188937 /nfs/dbraw/zinc/18/89/37/169188937.db2.gz OBWIYVGVRPATMD-UHFFFAOYSA-N 1 3 241.423 1.792 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000340205430 169208270 /nfs/dbraw/zinc/20/82/70/169208270.db2.gz XLRPLHCBTBMFGD-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCOC2(C)C)C1 ZINC000340205430 169208272 /nfs/dbraw/zinc/20/82/72/169208272.db2.gz XLRPLHCBTBMFGD-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCOC2(C)C)C1 ZINC000340205430 169208274 /nfs/dbraw/zinc/20/82/74/169208274.db2.gz XLRPLHCBTBMFGD-CHWSQXEVSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256495 169210380 /nfs/dbraw/zinc/21/03/80/169210380.db2.gz LGGQIRCURAUPAC-AGIUHOORSA-N 1 3 208.349 1.813 20 0 BDADHO CCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256495 169210381 /nfs/dbraw/zinc/21/03/81/169210381.db2.gz LGGQIRCURAUPAC-AGIUHOORSA-N 1 3 208.349 1.813 20 0 BDADHO CCC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309235283 169370121 /nfs/dbraw/zinc/37/01/21/169370121.db2.gz XKCDFLOIWFNLRF-LLVKDONJSA-N 1 3 214.353 1.221 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831330 169389867 /nfs/dbraw/zinc/38/98/67/169389867.db2.gz MHNMVVKCUUSUKV-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042514 169391620 /nfs/dbraw/zinc/39/16/20/169391620.db2.gz KISDDWZTWDSEIN-CYBMUJFWSA-N 1 3 249.358 1.814 20 0 BDADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)CN(C)C ZINC000360185003 169398984 /nfs/dbraw/zinc/39/89/84/169398984.db2.gz OMBWHNRIHDACHZ-VXGBXAGGSA-N 1 3 243.395 1.219 20 0 BDADHO CC[C@@]1(C)CC[N@H+](C[C@](C)(O)CNC)C1 ZINC000518547196 383997008 /nfs/dbraw/zinc/99/70/08/383997008.db2.gz YDTZXNKERHOTQT-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@]1(C)CC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000518547196 383997012 /nfs/dbraw/zinc/99/70/12/383997012.db2.gz YDTZXNKERHOTQT-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CC[C@@]1(C)CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000518547196 383997016 /nfs/dbraw/zinc/99/70/16/383997016.db2.gz YDTZXNKERHOTQT-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CN1CCC(O)(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000336466448 383958369 /nfs/dbraw/zinc/95/83/69/383958369.db2.gz XTTIAMNPFUIJIR-UHFFFAOYSA-N 1 3 238.375 1.365 20 0 BDADHO CO[C@@H](CC(C)C)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642680559 384043505 /nfs/dbraw/zinc/04/35/05/384043505.db2.gz ZCHRIMQSPJKDJY-XQQFMLRXSA-N 1 3 226.364 1.199 20 0 BDADHO C[C@@H]1C[C@H](NCC(C)(C)C[NH+](C)C)CO1 ZINC000401800783 384043469 /nfs/dbraw/zinc/04/34/69/384043469.db2.gz TTXPQCBIOMDRNU-MNOVXSKESA-N 1 3 214.353 1.341 20 0 BDADHO CCOC[C@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC000313250738 384154486 /nfs/dbraw/zinc/15/44/86/384154486.db2.gz SWKHRQJCLCCVFD-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000313250738 384154490 /nfs/dbraw/zinc/15/44/90/384154490.db2.gz SWKHRQJCLCCVFD-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CCOC[C@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000313250738 384154496 /nfs/dbraw/zinc/15/44/96/384154496.db2.gz SWKHRQJCLCCVFD-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000040809186 384165667 /nfs/dbraw/zinc/16/56/67/384165667.db2.gz UFVIRDAWUUETSN-STQMWFEESA-N 1 3 249.358 1.143 20 0 BDADHO C[C@@H]1OCC[C@H]1[NH2+]CC(C)(C)CN1CCCC1 ZINC000357851196 384213880 /nfs/dbraw/zinc/21/38/80/384213880.db2.gz NNSXPMXQPHVHAV-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1OCC[C@H]1NCC(C)(C)C[NH+]1CCCC1 ZINC000357851196 384213885 /nfs/dbraw/zinc/21/38/85/384213885.db2.gz NNSXPMXQPHVHAV-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3cccc(O)c3)C[C@H]21 ZINC000228535601 384273723 /nfs/dbraw/zinc/27/37/23/384273723.db2.gz NYESHHZTXMSUHL-NWANDNLSSA-N 1 3 246.354 1.951 20 0 BDADHO C[C@@H](NC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000335434666 384274888 /nfs/dbraw/zinc/27/48/88/384274888.db2.gz IWWYYBNJOCARRB-PWSUYJOCSA-N 1 3 212.337 1.286 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@]1(OC)CCOC1 ZINC000401935774 384313857 /nfs/dbraw/zinc/31/38/57/384313857.db2.gz PAAPLLYLMOQQQH-CYBMUJFWSA-N 1 3 244.379 1.113 20 0 BDADHO CC[N@H+](CCCN)CCc1ccccc1 ZINC000036731802 384456171 /nfs/dbraw/zinc/45/61/71/384456171.db2.gz YCZRSOZRMZWOID-UHFFFAOYSA-N 1 3 206.333 1.900 20 0 BDADHO CC[N@@H+](CCCN)CCc1ccccc1 ZINC000036731802 384456178 /nfs/dbraw/zinc/45/61/78/384456178.db2.gz YCZRSOZRMZWOID-UHFFFAOYSA-N 1 3 206.333 1.900 20 0 BDADHO CCN(C[C@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000647513883 384428483 /nfs/dbraw/zinc/42/84/83/384428483.db2.gz NFWMBXGGVCMTOG-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000648146620 384490076 /nfs/dbraw/zinc/49/00/76/384490076.db2.gz WVASGROHFLWLJC-LBPRGKRZSA-N 1 3 247.342 1.343 20 0 BDADHO C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000085128538 384491718 /nfs/dbraw/zinc/49/17/18/384491718.db2.gz PIRXISANJDUUPT-IJLUTSLNSA-N 1 3 214.353 1.112 20 0 BDADHO COC1(C[N@@H+]2CC[C@H](C)[C@H](CN)C2)CCCC1 ZINC000319853986 384515199 /nfs/dbraw/zinc/51/51/99/384515199.db2.gz LGMOUGNTDUVWLS-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO COC1(C[N@H+]2CC[C@H](C)[C@H](CN)C2)CCCC1 ZINC000319853986 384515203 /nfs/dbraw/zinc/51/52/03/384515203.db2.gz LGMOUGNTDUVWLS-QWHCGFSZSA-N 1 3 240.391 1.862 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCCOC1 ZINC000161723015 384518636 /nfs/dbraw/zinc/51/86/36/384518636.db2.gz OQRWKVHAZRFHTH-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCCOC1 ZINC000161723015 384518642 /nfs/dbraw/zinc/51/86/42/384518642.db2.gz OQRWKVHAZRFHTH-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO Cc1cccc(CCN[C@H](C)C[C@H](C)[NH3+])n1 ZINC000423090695 384564429 /nfs/dbraw/zinc/56/44/29/384564429.db2.gz YGIXQSNCALWCDJ-CMPLNLGQSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccc(CC[NH2+][C@H](C)C[C@H](C)N)n1 ZINC000423090695 384564436 /nfs/dbraw/zinc/56/44/36/384564436.db2.gz YGIXQSNCALWCDJ-CMPLNLGQSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1CC=CCC1 ZINC000359075418 384719847 /nfs/dbraw/zinc/71/98/47/384719847.db2.gz ZIBLBICMTMDSFS-KBPBESRZSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1CC=CCC1 ZINC000359075418 384719850 /nfs/dbraw/zinc/71/98/50/384719850.db2.gz ZIBLBICMTMDSFS-KBPBESRZSA-N 1 3 237.391 1.178 20 0 BDADHO C[C@@H]1C[C@H](NCC2CC[NH+](C)CC2)c2nccn21 ZINC000335953527 384736047 /nfs/dbraw/zinc/73/60/47/384736047.db2.gz BMIYTZQFCJAVIT-YPMHNXCESA-N 1 3 248.374 1.820 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2c(c1)ncn2C ZINC000647552261 384758587 /nfs/dbraw/zinc/75/85/87/384758587.db2.gz NUDLTIWKZDTFDM-QWRGUYRKSA-N 1 3 246.358 1.789 20 0 BDADHO CCC[C@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000309998705 384770771 /nfs/dbraw/zinc/77/07/71/384770771.db2.gz DAALAVUGFGAKOI-LBPRGKRZSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H]([NH2+]C1CCN(C)CC1)[C@H]1CCCCN1 ZINC000335026802 384772850 /nfs/dbraw/zinc/77/28/50/384772850.db2.gz ALJPZWWIQNAQTD-WCQYABFASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)O1 ZINC000398163897 384823090 /nfs/dbraw/zinc/82/30/90/384823090.db2.gz LTAYRMMKXPPLGP-KKOKHZNYSA-N 1 3 212.337 1.271 20 0 BDADHO NC1(C(=O)NCc2ccc(C[NH3+])cc2)CCCC1 ZINC000648201718 384824752 /nfs/dbraw/zinc/82/47/52/384824752.db2.gz GDNBFLFHCZWRQV-UHFFFAOYSA-N 1 3 247.342 1.033 20 0 BDADHO C[C@H](C[NH2+]C[C@@H]1CCSC1)CN(C)C ZINC000308592421 384835351 /nfs/dbraw/zinc/83/53/51/384835351.db2.gz WGWJWZMIPPTZGD-MNOVXSKESA-N 1 3 216.394 1.527 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CN)O1 ZINC000398082007 384797199 /nfs/dbraw/zinc/79/71/99/384797199.db2.gz KIGAVIPITPKULS-LPWJVIDDSA-N 1 3 226.364 1.661 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000220677382 384874421 /nfs/dbraw/zinc/87/44/21/384874421.db2.gz SDAYOXYNBIWXAI-HBNTYKKESA-N 1 3 214.378 1.599 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000398207580 384841690 /nfs/dbraw/zinc/84/16/90/384841690.db2.gz CDTAZJGFMMXDAR-DTWKUNHWSA-N 1 3 240.269 1.630 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOC(F)(F)F ZINC000398207580 384841698 /nfs/dbraw/zinc/84/16/98/384841698.db2.gz CDTAZJGFMMXDAR-DTWKUNHWSA-N 1 3 240.269 1.630 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000398207585 384841928 /nfs/dbraw/zinc/84/19/28/384841928.db2.gz CDTAZJGFMMXDAR-RKDXNWHRSA-N 1 3 240.269 1.630 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOC(F)(F)F ZINC000398207585 384841934 /nfs/dbraw/zinc/84/19/34/384841934.db2.gz CDTAZJGFMMXDAR-RKDXNWHRSA-N 1 3 240.269 1.630 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000163987479 384891003 /nfs/dbraw/zinc/89/10/03/384891003.db2.gz HNZZFHSYVRSVSB-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO c1cc(CCCN2CC[C@]3(CC[NH2+]C3)C2)ccn1 ZINC000257650799 384922044 /nfs/dbraw/zinc/92/20/44/384922044.db2.gz DIIOZTDPGYVLFC-HNNXBMFYSA-N 1 3 245.370 1.700 20 0 BDADHO C[C@H](C[NH2+]CC1(O)CCC1)CN1CCCCC1 ZINC000644525802 384935260 /nfs/dbraw/zinc/93/52/60/384935260.db2.gz JLNBOWSUQMOEPR-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H](CNCC1(O)CCC1)C[NH+]1CCCCC1 ZINC000644525802 384935265 /nfs/dbraw/zinc/93/52/65/384935265.db2.gz JLNBOWSUQMOEPR-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1ccc(F)c(F)c1 ZINC000258751819 384939445 /nfs/dbraw/zinc/93/94/45/384939445.db2.gz ADFNZPNAWBIPRR-OLZOCXBDSA-N 1 3 240.297 1.977 20 0 BDADHO Cc1ccc(CNC[C@@H](C)C[NH3+])cc1C ZINC000258741680 384940545 /nfs/dbraw/zinc/94/05/45/384940545.db2.gz KZFLYEMKAGWVJI-JTQLQIEISA-N 1 3 206.333 1.988 20 0 BDADHO Cc1ccc(C)c(CNC[C@H](C)C[NH3+])c1 ZINC000258760866 384941258 /nfs/dbraw/zinc/94/12/58/384941258.db2.gz NCEGJIDBQHWNDS-LLVKDONJSA-N 1 3 206.333 1.988 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCCc1cccc(F)c1 ZINC000259026910 384960338 /nfs/dbraw/zinc/96/03/38/384960338.db2.gz OOSWRNXEAWWVHD-OLZOCXBDSA-N 1 3 222.307 1.838 20 0 BDADHO c1cncc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000127952028 384968227 /nfs/dbraw/zinc/96/82/27/384968227.db2.gz NNGFNXBMGMWBOO-LSDHHAIUSA-N 1 3 245.370 1.841 20 0 BDADHO c1cncc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127952028 384968235 /nfs/dbraw/zinc/96/82/35/384968235.db2.gz NNGFNXBMGMWBOO-LSDHHAIUSA-N 1 3 245.370 1.841 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCN(C[C@](C)(O)CC)C1 ZINC000249428414 384985323 /nfs/dbraw/zinc/98/53/23/384985323.db2.gz YOLRWPQHFYBJCG-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000249428414 384985329 /nfs/dbraw/zinc/98/53/29/384985329.db2.gz YOLRWPQHFYBJCG-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000249428414 384985335 /nfs/dbraw/zinc/98/53/35/384985335.db2.gz YOLRWPQHFYBJCG-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO COC[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226438068 385021963 /nfs/dbraw/zinc/02/19/63/385021963.db2.gz DJWXGWALWMAJOS-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226438068 385021968 /nfs/dbraw/zinc/02/19/68/385021968.db2.gz DJWXGWALWMAJOS-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO COC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438068 385021975 /nfs/dbraw/zinc/02/19/75/385021975.db2.gz DJWXGWALWMAJOS-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@@H](O)CNC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000644588781 384990600 /nfs/dbraw/zinc/99/06/00/384990600.db2.gz UFEXGGTVMBMSQI-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@@H](O)CNC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000644588781 384990605 /nfs/dbraw/zinc/99/06/05/384990605.db2.gz UFEXGGTVMBMSQI-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO CC[C@@H](O)C[NH2+]C[C@@H]1CCN(CC(C)C)C1 ZINC000644588781 384990610 /nfs/dbraw/zinc/99/06/10/384990610.db2.gz UFEXGGTVMBMSQI-QWHCGFSZSA-N 1 3 228.380 1.325 20 0 BDADHO COC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000249894083 385007144 /nfs/dbraw/zinc/00/71/44/385007144.db2.gz RDRKDGINXGQPTI-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000310367241 385008079 /nfs/dbraw/zinc/00/80/79/385008079.db2.gz WNBJQRLDPRZVHT-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO CO[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000310367241 385008084 /nfs/dbraw/zinc/00/80/84/385008084.db2.gz WNBJQRLDPRZVHT-MELADBBJSA-N 1 3 240.391 1.874 20 0 BDADHO CCN1CCC([N@@H+]2CCCN(CC)CC2)CC1 ZINC000336312253 385015477 /nfs/dbraw/zinc/01/54/77/385015477.db2.gz DHWPOHFPPIHFRH-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO CCN1CCC([N@H+]2CCCN(CC)CC2)CC1 ZINC000336312253 385015482 /nfs/dbraw/zinc/01/54/82/385015482.db2.gz DHWPOHFPPIHFRH-UHFFFAOYSA-N 1 3 239.407 1.498 20 0 BDADHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1 ZINC000291663480 385084255 /nfs/dbraw/zinc/08/42/55/385084255.db2.gz FILRZXZYMKGOKD-LBPRGKRZSA-N 1 3 236.359 1.983 20 0 BDADHO CCn1nccc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000157066583 385066584 /nfs/dbraw/zinc/06/65/84/385066584.db2.gz RXAUPBHIKBLDIR-NSHDSACASA-N 1 3 236.363 1.462 20 0 BDADHO C1CC1[C@H]1CC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423543436 385025002 /nfs/dbraw/zinc/02/50/02/385025002.db2.gz BVMKTESVILOPQP-YNEHKIRRSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000644622731 385031020 /nfs/dbraw/zinc/03/10/20/385031020.db2.gz LNUCIXZFWVRRHY-LLVKDONJSA-N 1 3 214.353 1.079 20 0 BDADHO C(CN1CCC[C@@H]2CCC[C@@H]21)N1CC[NH2+]CC1 ZINC000227167822 385101307 /nfs/dbraw/zinc/10/13/07/385101307.db2.gz XYLYITNETPZYED-KBPBESRZSA-N 1 3 237.391 1.156 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422715475 385195086 /nfs/dbraw/zinc/19/50/86/385195086.db2.gz MHVAQNMIELSCDK-MELADBBJSA-N 1 3 241.423 1.966 20 0 BDADHO CC1(C)COC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000313014948 385147759 /nfs/dbraw/zinc/14/77/59/385147759.db2.gz WZUUOYDAZPPBIS-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO CC1(C)COC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000313014948 385147765 /nfs/dbraw/zinc/14/77/65/385147765.db2.gz WZUUOYDAZPPBIS-UPJWGTAASA-N 1 3 238.375 1.628 20 0 BDADHO C1CC12C[C@@H]2N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370096 385151162 /nfs/dbraw/zinc/15/11/62/385151162.db2.gz CQWAEUVCAKKULF-RVMXOQNASA-N 1 3 236.359 1.286 20 0 BDADHO C1CC12C[C@H]2N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370097 385152110 /nfs/dbraw/zinc/15/21/10/385152110.db2.gz CQWAEUVCAKKULF-WUHRBBMRSA-N 1 3 236.359 1.286 20 0 BDADHO [NH3+]CCCN(Cc1ccccc1)C[C@H]1CCOC1 ZINC000230001137 385157308 /nfs/dbraw/zinc/15/73/08/385157308.db2.gz CTNYPMQFSNATPF-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@@H+](Cc1ccccc1)C[C@H]1CCOC1 ZINC000230001137 385157314 /nfs/dbraw/zinc/15/73/14/385157314.db2.gz CTNYPMQFSNATPF-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO NCCC[N@H+](Cc1ccccc1)C[C@H]1CCOC1 ZINC000230001137 385157318 /nfs/dbraw/zinc/15/73/18/385157318.db2.gz CTNYPMQFSNATPF-OAHLLOKOSA-N 1 3 248.370 1.874 20 0 BDADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)N)c1 ZINC000165953870 385210919 /nfs/dbraw/zinc/21/09/19/385210919.db2.gz QHCXMEOCGUUYGZ-NSHDSACASA-N 1 3 249.358 1.102 20 0 BDADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)N)c1 ZINC000165953870 385210923 /nfs/dbraw/zinc/21/09/23/385210923.db2.gz QHCXMEOCGUUYGZ-NSHDSACASA-N 1 3 249.358 1.102 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccn(C)c1 ZINC000252711549 385212063 /nfs/dbraw/zinc/21/20/63/385212063.db2.gz JWHMCUBBZNEYLN-WCQYABFASA-N 1 3 221.348 1.455 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccn(C)c1 ZINC000252711549 385212068 /nfs/dbraw/zinc/21/20/68/385212068.db2.gz JWHMCUBBZNEYLN-WCQYABFASA-N 1 3 221.348 1.455 20 0 BDADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000252712656 385214287 /nfs/dbraw/zinc/21/42/87/385214287.db2.gz MZQCBTLRXTZREW-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO COC[C@H](NC[C@@H](C)C[NH+](C)C)C1CC1 ZINC000308902999 385274587 /nfs/dbraw/zinc/27/45/87/385274587.db2.gz KQPVYRUOAKCURK-PWSUYJOCSA-N 1 3 214.353 1.199 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(N)nc2)CC1 ZINC000647491932 385290402 /nfs/dbraw/zinc/29/04/02/385290402.db2.gz ZWTKNJQLCKTUBN-SNVBAGLBSA-N 1 3 234.347 1.053 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157840286 385296387 /nfs/dbraw/zinc/29/63/87/385296387.db2.gz WAFJYAZLLNGTOU-WOPDTQHZSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157840286 385296394 /nfs/dbraw/zinc/29/63/94/385296394.db2.gz WAFJYAZLLNGTOU-WOPDTQHZSA-N 1 3 241.379 1.103 20 0 BDADHO COC[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000019904391 385297900 /nfs/dbraw/zinc/29/79/00/385297900.db2.gz RCSVQWFNWFIBJH-LLVKDONJSA-N 1 3 214.353 1.484 20 0 BDADHO CO[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168273 385326734 /nfs/dbraw/zinc/32/67/34/385326734.db2.gz MCXUCKVLLWXSAE-FZMZJTMJSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168273 385326741 /nfs/dbraw/zinc/32/67/41/385326741.db2.gz MCXUCKVLLWXSAE-FZMZJTMJSA-N 1 3 238.375 1.485 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCC[C@H]1CCCCO1 ZINC000405249345 385399118 /nfs/dbraw/zinc/39/91/18/385399118.db2.gz IZBUJABJPKLUGP-IJLUTSLNSA-N 1 3 226.364 1.661 20 0 BDADHO CC[C@H]1CN(CC(C)(C)COC)CC[C@@H]1[NH3+] ZINC000647497868 385408056 /nfs/dbraw/zinc/40/80/56/385408056.db2.gz YLSMGJYOPYQVMY-RYUDHWBXSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@H]1C[N@H+](CC(C)(C)COC)CC[C@@H]1N ZINC000647497868 385408059 /nfs/dbraw/zinc/40/80/59/385408059.db2.gz YLSMGJYOPYQVMY-RYUDHWBXSA-N 1 3 228.380 1.718 20 0 BDADHO CC[C@H]1C[N@@H+](CC(C)(C)COC)CC[C@@H]1N ZINC000647497868 385408060 /nfs/dbraw/zinc/40/80/60/385408060.db2.gz YLSMGJYOPYQVMY-RYUDHWBXSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCN(C)CC2)[C@H]1C ZINC000309093029 385413967 /nfs/dbraw/zinc/41/39/67/385413967.db2.gz BWFGOBDUUKZOTJ-NTZNESFSSA-N 1 3 208.349 1.882 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)OC)[C@H](C)C1 ZINC000182342235 385442189 /nfs/dbraw/zinc/44/21/89/385442189.db2.gz IOFRTIOQOZPPFE-UPJWGTAASA-N 1 3 228.380 1.683 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)OC)[C@H](C)C1 ZINC000182342235 385442192 /nfs/dbraw/zinc/44/21/92/385442192.db2.gz IOFRTIOQOZPPFE-UPJWGTAASA-N 1 3 228.380 1.683 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2C[C@H]([NH3+])C2(C)C)O1 ZINC000405287713 385448784 /nfs/dbraw/zinc/44/87/84/385448784.db2.gz HIORGWXNWOFIDT-CHWFTXMASA-N 1 3 212.337 1.269 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](N)C2(C)C)O1 ZINC000405287713 385448787 /nfs/dbraw/zinc/44/87/87/385448787.db2.gz HIORGWXNWOFIDT-CHWFTXMASA-N 1 3 212.337 1.269 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1ccccc1 ZINC000405285596 385452149 /nfs/dbraw/zinc/45/21/49/385452149.db2.gz FXDBFMNTBHJGAP-CHWSQXEVSA-N 1 3 234.343 1.781 20 0 BDADHO C[N@@H+]1CCC[C@H](NC2CSC2)CC1 ZINC000258052390 385529556 /nfs/dbraw/zinc/52/95/56/385529556.db2.gz KBOMJYDHHGLQET-VIFPVBQESA-N 1 3 200.351 1.176 20 0 BDADHO C[N@H+]1CCC[C@H](NC2CSC2)CC1 ZINC000258052390 385529559 /nfs/dbraw/zinc/52/95/59/385529559.db2.gz KBOMJYDHHGLQET-VIFPVBQESA-N 1 3 200.351 1.176 20 0 BDADHO CCN(CC)CCC[NH2+]CC[C@@H]1CCOC1 ZINC000309479661 385605760 /nfs/dbraw/zinc/60/57/60/385605760.db2.gz SRQBONUUMYHTTB-CYBMUJFWSA-N 1 3 228.380 1.735 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@H](C)[C@@H]1CCCO1 ZINC000309453976 385591424 /nfs/dbraw/zinc/59/14/24/385591424.db2.gz QNFHLZMKVOBNQY-OLZOCXBDSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@H](C)[C@@H]1CCCO1 ZINC000309453976 385591427 /nfs/dbraw/zinc/59/14/27/385591427.db2.gz QNFHLZMKVOBNQY-OLZOCXBDSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309453976 385591433 /nfs/dbraw/zinc/59/14/33/385591433.db2.gz QNFHLZMKVOBNQY-OLZOCXBDSA-N 1 3 228.380 1.874 20 0 BDADHO Cc1c[nH]nc1CNCC1CC[NH+](C)CC1 ZINC000309497192 385618211 /nfs/dbraw/zinc/61/82/11/385618211.db2.gz YRQSGMAAJOYNPS-UHFFFAOYSA-N 1 3 222.336 1.150 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000082645560 385627126 /nfs/dbraw/zinc/62/71/26/385627126.db2.gz HZUHCUBNNLRXTF-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000082645560 385627129 /nfs/dbraw/zinc/62/71/29/385627129.db2.gz HZUHCUBNNLRXTF-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CC(C)N1CCN(CCC[N@H+](C)C2CC2)CC1 ZINC000337340516 385610015 /nfs/dbraw/zinc/61/00/15/385610015.db2.gz STOXNJAGODQLTQ-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)N1CCN(CCC[N@@H+](C)C2CC2)CC1 ZINC000337340516 385610016 /nfs/dbraw/zinc/61/00/16/385610016.db2.gz STOXNJAGODQLTQ-UHFFFAOYSA-N 1 3 239.407 1.497 20 0 BDADHO CC1(C)CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309517033 385649371 /nfs/dbraw/zinc/64/93/71/385649371.db2.gz YYRHCJVNMARZHG-GFCCVEGCSA-N 1 3 226.364 1.221 20 0 BDADHO Fc1cccnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794157 385733170 /nfs/dbraw/zinc/73/31/70/385733170.db2.gz SEDCIVXFVBRMFH-SDDRHHMPSA-N 1 3 249.333 1.698 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414860711 385743060 /nfs/dbraw/zinc/74/30/60/385743060.db2.gz QIYZDKXSDGUWNR-IJLUTSLNSA-N 1 3 224.348 1.143 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414860711 385743067 /nfs/dbraw/zinc/74/30/67/385743067.db2.gz QIYZDKXSDGUWNR-IJLUTSLNSA-N 1 3 224.348 1.143 20 0 BDADHO CCC[NH2+]CCNC[C@H]1CCO[C@@H](CC)C1 ZINC000414865482 385769401 /nfs/dbraw/zinc/76/94/01/385769401.db2.gz FPLIRUOBICVXJD-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO CNCCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000414856910 385722369 /nfs/dbraw/zinc/72/23/69/385722369.db2.gz BLOOQNDNHUTUJG-UHFFFAOYSA-N 1 3 240.391 1.925 20 0 BDADHO COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000336713167 385807369 /nfs/dbraw/zinc/80/73/69/385807369.db2.gz OFLDRIRUZXMPLC-NWDGAFQWSA-N 1 3 236.359 1.811 20 0 BDADHO COc1ccccc1C[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000336713167 385807374 /nfs/dbraw/zinc/80/73/74/385807374.db2.gz OFLDRIRUZXMPLC-NWDGAFQWSA-N 1 3 236.359 1.811 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC[C@H]2C)CCO1 ZINC000414950195 385816755 /nfs/dbraw/zinc/81/67/55/385816755.db2.gz FZXMFPLQYGYRMW-AAVRWANBSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H](CN1CC[C@@H](C[NH+](C)C)C1)OC ZINC000412977982 385824402 /nfs/dbraw/zinc/82/44/02/385824402.db2.gz OLRSFUNAKCPWSH-NWDGAFQWSA-N 1 3 214.353 1.295 20 0 BDADHO C[NH2+][C@H](C)CNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000261681372 385827460 /nfs/dbraw/zinc/82/74/60/385827460.db2.gz HOGBHBHQTYRSJS-WZRBSPASSA-N 1 3 249.358 1.047 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCN[C@H](C)C2)CCO1 ZINC000414954325 385835912 /nfs/dbraw/zinc/83/59/12/385835912.db2.gz SOCSITFHXMAWHB-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000336656786 385794517 /nfs/dbraw/zinc/79/45/17/385794517.db2.gz MCIMHNARHSTRLR-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+]C1(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CCC1 ZINC000414874649 385886924 /nfs/dbraw/zinc/88/69/24/385886924.db2.gz IRGAAONMTRSFRC-QJPTWQEYSA-N 1 3 236.359 1.415 20 0 BDADHO COc1ccccc1CCC[N@H+](C)CCCN ZINC000647847240 385896689 /nfs/dbraw/zinc/89/66/89/385896689.db2.gz IPVNMYSOSMDLDV-UHFFFAOYSA-N 1 3 236.359 1.908 20 0 BDADHO COc1ccccc1CCC[N@@H+](C)CCCN ZINC000647847240 385896692 /nfs/dbraw/zinc/89/66/92/385896692.db2.gz IPVNMYSOSMDLDV-UHFFFAOYSA-N 1 3 236.359 1.908 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000414963469 385898263 /nfs/dbraw/zinc/89/82/63/385898263.db2.gz XNEXHEDZXKEIPV-MQYQWHSLSA-N 1 3 240.391 1.920 20 0 BDADHO CCOc1cc(C[NH2+][C@@H](C)CN)ccc1OC ZINC000414964693 385909760 /nfs/dbraw/zinc/90/97/60/385909760.db2.gz YUAZBBWIDYUTHF-JTQLQIEISA-N 1 3 238.331 1.531 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](N)c1ccccc1 ZINC000262575473 385862291 /nfs/dbraw/zinc/86/22/91/385862291.db2.gz JDYUJGKJNTURTQ-JSGCOSHPSA-N 1 3 249.358 1.320 20 0 BDADHO C[C@H](NC1Cc2ccccc2C1)C1C[NH2+]C1 ZINC000335038278 385927703 /nfs/dbraw/zinc/92/77/03/385927703.db2.gz IUVUCTVKQIJRBY-JTQLQIEISA-N 1 3 216.328 1.351 20 0 BDADHO C[C@H]([NH2+]C1Cc2ccccc2C1)C1CNC1 ZINC000335038278 385927704 /nfs/dbraw/zinc/92/77/04/385927704.db2.gz IUVUCTVKQIJRBY-JTQLQIEISA-N 1 3 216.328 1.351 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1Cc2ccccc2O1 ZINC000250860467 385928252 /nfs/dbraw/zinc/92/82/52/385928252.db2.gz SKEVRIHLDJNTOL-BFHYXJOUSA-N 1 3 246.354 1.707 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000250860467 385928260 /nfs/dbraw/zinc/92/82/60/385928260.db2.gz SKEVRIHLDJNTOL-BFHYXJOUSA-N 1 3 246.354 1.707 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228557910 385878505 /nfs/dbraw/zinc/87/85/05/385878505.db2.gz WSAWIJNFIBIFSG-GARJFASQSA-N 1 3 214.378 1.457 20 0 BDADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000338355405 385977518 /nfs/dbraw/zinc/97/75/18/385977518.db2.gz JJHKGQBUTSPWPV-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000338355405 385977521 /nfs/dbraw/zinc/97/75/21/385977521.db2.gz JJHKGQBUTSPWPV-OLZOCXBDSA-N 1 3 228.380 1.421 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000295151804 385978718 /nfs/dbraw/zinc/97/87/18/385978718.db2.gz CSLHTGACHDYOFC-DRZSPHRISA-N 1 3 249.358 1.176 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000338304875 385951428 /nfs/dbraw/zinc/95/14/28/385951428.db2.gz PWNPPOMHRFFMGI-MELADBBJSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000338304875 385951436 /nfs/dbraw/zinc/95/14/36/385951436.db2.gz PWNPPOMHRFFMGI-MELADBBJSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000338304872 385951529 /nfs/dbraw/zinc/95/15/29/385951529.db2.gz PWNPPOMHRFFMGI-IHRRRGAJSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000338304872 385951536 /nfs/dbraw/zinc/95/15/36/385951536.db2.gz PWNPPOMHRFFMGI-IHRRRGAJSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H](C[NH3+])CNCc1cccc2c[nH]nc21 ZINC000414879479 385952293 /nfs/dbraw/zinc/95/22/93/385952293.db2.gz PMKRZZWJCQRUJG-SECBINFHSA-N 1 3 218.304 1.247 20 0 BDADHO CC[NH+](CC)CCCN(C[C@H](C)O)C(C)C ZINC000338308832 385957229 /nfs/dbraw/zinc/95/72/29/385957229.db2.gz SREQKTCPVIMDFN-ZDUSSCGKSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@H+](C[C@H](C)O)C(C)C ZINC000338308832 385957236 /nfs/dbraw/zinc/95/72/36/385957236.db2.gz SREQKTCPVIMDFN-ZDUSSCGKSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@@H+](C[C@H](C)O)C(C)C ZINC000338308832 385957243 /nfs/dbraw/zinc/95/72/43/385957243.db2.gz SREQKTCPVIMDFN-ZDUSSCGKSA-N 1 3 230.396 1.810 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CCCCO1 ZINC000251258768 385961131 /nfs/dbraw/zinc/96/11/31/385961131.db2.gz VUCBFOFLXBMSIT-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CCNC1 ZINC000414880168 385961575 /nfs/dbraw/zinc/96/15/75/385961575.db2.gz JRCJUDLIBVHHEI-JGVFFNPUSA-N 1 3 210.243 1.669 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000220690618 385975268 /nfs/dbraw/zinc/97/52/68/385975268.db2.gz DHNAFYYILJJUMF-GXSJLCMTSA-N 1 3 214.378 1.599 20 0 BDADHO COC[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000336770496 386009219 /nfs/dbraw/zinc/00/92/19/386009219.db2.gz SZDDXKVHMBAKSK-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO COC[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000336770496 386009225 /nfs/dbraw/zinc/00/92/25/386009225.db2.gz SZDDXKVHMBAKSK-GFCCVEGCSA-N 1 3 228.380 1.733 20 0 BDADHO CC(=O)Nc1ccc(CNC[C@@H](C)C[NH3+])cc1 ZINC000414882780 386020908 /nfs/dbraw/zinc/02/09/08/386020908.db2.gz UJRSGNKEDVZBNW-JTQLQIEISA-N 1 3 235.331 1.329 20 0 BDADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000336753422 386023369 /nfs/dbraw/zinc/02/33/69/386023369.db2.gz WHUOGMQLKARIIQ-NXEZZACHSA-N 1 3 236.306 1.063 20 0 BDADHO c1ccc(CNCCC[C@@H]2CCC[NH2+]2)nc1 ZINC000414979466 386045423 /nfs/dbraw/zinc/04/54/23/386045423.db2.gz VEMRTOSOZJCPHT-GFCCVEGCSA-N 1 3 219.332 1.703 20 0 BDADHO C[NH2+]CCC1CCN(Cc2[nH]ncc2C)CC1 ZINC000414664945 386109247 /nfs/dbraw/zinc/10/92/47/386109247.db2.gz UTZBJPIUUPMMOQ-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CCc2ccc(OC)cc2C1 ZINC000414986858 386114573 /nfs/dbraw/zinc/11/45/73/386114573.db2.gz JQXDLIKDHKELNA-UONOGXRCSA-N 1 3 248.370 1.879 20 0 BDADHO CC(C)[C@](C)(O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365407094 386082104 /nfs/dbraw/zinc/08/21/04/386082104.db2.gz YYQFKIJQRPGXSJ-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@](C)(O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365407094 386082108 /nfs/dbraw/zinc/08/21/08/386082108.db2.gz YYQFKIJQRPGXSJ-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[C@](C)(O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365407094 386082115 /nfs/dbraw/zinc/08/21/15/386082115.db2.gz YYQFKIJQRPGXSJ-ZIAGYGMSSA-N 1 3 242.407 1.810 20 0 BDADHO CCOc1cccc(CN[C@H](C)CC[NH3+])c1 ZINC000414886921 386086877 /nfs/dbraw/zinc/08/68/77/386086877.db2.gz QDLCBFIIZZZJLT-LLVKDONJSA-N 1 3 222.332 1.912 20 0 BDADHO CC[C@H]([NH3+])CN[C@H]1CCc2c(cccc2OC)C1 ZINC000414992460 386155617 /nfs/dbraw/zinc/15/56/17/386155617.db2.gz RPEFJYAGZDGQEC-STQMWFEESA-N 1 3 248.370 1.879 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1CCc2ccccc2C1 ZINC000414988492 386133500 /nfs/dbraw/zinc/13/35/00/386133500.db2.gz LZDUIUONXQVHBS-UONOGXRCSA-N 1 3 218.344 1.871 20 0 BDADHO CC(C)C[C@H]([NH3+])CN1CCN(C)CC1(C)C ZINC000414691373 386189233 /nfs/dbraw/zinc/18/92/33/386189233.db2.gz BKBGKRSMMYZLFV-LBPRGKRZSA-N 1 3 227.396 1.386 20 0 BDADHO COC(=O)CCC(C)(C)NC[C@@H]([NH3+])CC(C)C ZINC000414710523 386224247 /nfs/dbraw/zinc/22/42/47/386224247.db2.gz LDTCCQZMFOJVQS-NSHDSACASA-N 1 3 244.379 1.681 20 0 BDADHO CC(C)[C@H]1CN(CCC[NH3+])CCS1 ZINC000414713412 386233479 /nfs/dbraw/zinc/23/34/79/386233479.db2.gz VSRLLLFFSAUXKS-SNVBAGLBSA-N 1 3 202.367 1.409 20 0 BDADHO CC[C@](C)(CCO)NC[C@H]([NH3+])CC(C)C ZINC000414713859 386235998 /nfs/dbraw/zinc/23/59/98/386235998.db2.gz URYJMQRIXBKVSB-VXGBXAGGSA-N 1 3 216.369 1.501 20 0 BDADHO CC(C)[C@@H]1CN(C)CCN1CC[NH2+]C(C)(C)C ZINC000414716708 386237579 /nfs/dbraw/zinc/23/75/79/386237579.db2.gz SSAUGICRCZSOQD-ZDUSSCGKSA-N 1 3 241.423 1.647 20 0 BDADHO COC(=O)[C@]1(C)CC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414714087 386239118 /nfs/dbraw/zinc/23/91/18/386239118.db2.gz WZBYINXMVXJPGA-DGCLKSJQSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)[C@]1(C)CC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414714087 386239119 /nfs/dbraw/zinc/23/91/19/386239119.db2.gz WZBYINXMVXJPGA-DGCLKSJQSA-N 1 3 242.363 1.245 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)N(C)C ZINC000353512494 386251841 /nfs/dbraw/zinc/25/18/41/386251841.db2.gz CXBKVGMKIJWWJR-SYQHCUMBSA-N 1 3 239.407 1.399 20 0 BDADHO CCOC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647885773 386285789 /nfs/dbraw/zinc/28/57/89/386285789.db2.gz OMXNPAQXFVMKGP-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)[C@@H]1CN(CC[NH2+]C(C)(C)C)CCN1C ZINC000414733289 386295824 /nfs/dbraw/zinc/29/58/24/386295824.db2.gz DPKUCWMZYRNURB-ZDUSSCGKSA-N 1 3 241.423 1.647 20 0 BDADHO Cc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)nc1 ZINC000415006533 386321830 /nfs/dbraw/zinc/32/18/30/386321830.db2.gz KMHMJEZDEKKSGS-LSDHHAIUSA-N 1 3 245.370 1.868 20 0 BDADHO [NH3+]CCOCCN1CCCc2sccc2C1 ZINC000647884665 386263131 /nfs/dbraw/zinc/26/31/31/386263131.db2.gz VLCBZBCUGCIJQD-UHFFFAOYSA-N 1 3 240.372 1.472 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000414746595 386345817 /nfs/dbraw/zinc/34/58/17/386345817.db2.gz SLFKVKJNSBQEQR-SDDRHHMPSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000414746595 386345822 /nfs/dbraw/zinc/34/58/22/386345822.db2.gz SLFKVKJNSBQEQR-SDDRHHMPSA-N 1 3 214.353 1.063 20 0 BDADHO CC1(C)[C@H](NCC[C@H]2CCC[NH2+]2)[C@H]2CCO[C@H]21 ZINC000414904916 386359052 /nfs/dbraw/zinc/35/90/52/386359052.db2.gz MVEUWZUUEZPYNJ-FDYHWXHSSA-N 1 3 238.375 1.532 20 0 BDADHO [NH3+]CCCN1CCC(OCC2CC2)CC1 ZINC000414749826 386367687 /nfs/dbraw/zinc/36/76/87/386367687.db2.gz WRZILMXMSWKLOW-UHFFFAOYSA-N 1 3 212.337 1.226 20 0 BDADHO COC1CC(N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000347379752 386374598 /nfs/dbraw/zinc/37/45/98/386374598.db2.gz WLBUGWBKHQDSMX-LKSINWNRSA-N 1 3 238.375 1.770 20 0 BDADHO COC1CC(N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000347379752 386374603 /nfs/dbraw/zinc/37/46/03/386374603.db2.gz WLBUGWBKHQDSMX-LKSINWNRSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CC2(CN1Cc1cncn1C)CC[NH2+]CC2 ZINC000335276483 386337988 /nfs/dbraw/zinc/33/79/88/386337988.db2.gz DWFLPMSEEDQMAC-GFCCVEGCSA-N 1 3 248.374 1.384 20 0 BDADHO C[C@@H](O)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000336703719 386390398 /nfs/dbraw/zinc/39/03/98/386390398.db2.gz BQJAMSMSJSVKOC-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](O)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000336703719 386390404 /nfs/dbraw/zinc/39/04/04/386390404.db2.gz BQJAMSMSJSVKOC-KGLIPLIRSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](Cc1cnccn1)N[C@@H](C)CC[NH+](C)C ZINC000347353321 386391732 /nfs/dbraw/zinc/39/17/32/386391732.db2.gz ACEOAHOWRPPUNT-NWDGAFQWSA-N 1 3 236.363 1.337 20 0 BDADHO COC[C@@H](CC(C)C)NCC[C@H]1CCC[NH2+]1 ZINC000414908969 386403274 /nfs/dbraw/zinc/40/32/74/386403274.db2.gz SGFYXRKITBFGDF-CHWSQXEVSA-N 1 3 228.380 1.779 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000391121258 386409578 /nfs/dbraw/zinc/40/95/78/386409578.db2.gz BJCOWZQQWNUUOV-QWRGUYRKSA-N 1 3 239.388 1.793 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCCc1ccccn1 ZINC000093462306 386417291 /nfs/dbraw/zinc/41/72/91/386417291.db2.gz QKVNAHRSROSOSH-OCCSQVGLSA-N 1 3 233.359 1.744 20 0 BDADHO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](C)N ZINC000442663576 386418694 /nfs/dbraw/zinc/41/86/94/386418694.db2.gz HVCRIZULYNQSAJ-PWSUYJOCSA-N 1 3 222.336 1.003 20 0 BDADHO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](C)N ZINC000442663576 386418699 /nfs/dbraw/zinc/41/86/99/386418699.db2.gz HVCRIZULYNQSAJ-PWSUYJOCSA-N 1 3 222.336 1.003 20 0 BDADHO CCOC(=O)[C@@]1(C(C)C)CCN(CCC[NH3+])C1 ZINC000414763277 386427276 /nfs/dbraw/zinc/42/72/76/386427276.db2.gz XGYBDTOOOCGDBI-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCCN)C1 ZINC000414763277 386427281 /nfs/dbraw/zinc/42/72/81/386427281.db2.gz XGYBDTOOOCGDBI-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCN)C1 ZINC000414763277 386427287 /nfs/dbraw/zinc/42/72/87/386427287.db2.gz XGYBDTOOOCGDBI-ZDUSSCGKSA-N 1 3 242.363 1.246 20 0 BDADHO CCC1(CC)CC[N@H+](CCN2CCNCC2)C1 ZINC000094803565 386469289 /nfs/dbraw/zinc/46/92/89/386469289.db2.gz WCKVQFPRNYEHQI-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO CCC1(CC)CC[N@@H+](CCN2CCNCC2)C1 ZINC000094803565 386469292 /nfs/dbraw/zinc/46/92/92/386469292.db2.gz WCKVQFPRNYEHQI-UHFFFAOYSA-N 1 3 239.407 1.404 20 0 BDADHO COc1cccc(C[C@@H](C)NC2CC[NH2+]CC2)n1 ZINC000414776497 386478540 /nfs/dbraw/zinc/47/85/40/386478540.db2.gz FIPRCTWGTIZCCH-LLVKDONJSA-N 1 3 249.358 1.363 20 0 BDADHO COc1cccc(C[C@@H](C)[NH2+]C2CCNCC2)n1 ZINC000414776497 386478543 /nfs/dbraw/zinc/47/85/43/386478543.db2.gz FIPRCTWGTIZCCH-LLVKDONJSA-N 1 3 249.358 1.363 20 0 BDADHO CCc1cnc(CN[C@@H]2CC[C@@H](C[NH3+])C2)s1 ZINC000415042403 386528915 /nfs/dbraw/zinc/52/89/15/386528915.db2.gz QSJZTLATNSEPBO-NXEZZACHSA-N 1 3 239.388 1.923 20 0 BDADHO CCCC[C@H](COC)[NH2+]C1CCNCC1 ZINC000414787945 386529299 /nfs/dbraw/zinc/52/92/99/386529299.db2.gz ZUVFLHSILIHYMK-GFCCVEGCSA-N 1 3 214.353 1.533 20 0 BDADHO CCCC[C@H](COC)NC1CC[NH2+]CC1 ZINC000414787945 386529304 /nfs/dbraw/zinc/52/93/04/386529304.db2.gz ZUVFLHSILIHYMK-GFCCVEGCSA-N 1 3 214.353 1.533 20 0 BDADHO COC[C@H](CC(C)C)N[C@H](C)[C@@H](C)[NH3+] ZINC000415013147 386494915 /nfs/dbraw/zinc/49/49/15/386494915.db2.gz KIXUXOWJIALDGE-MXWKQRLJSA-N 1 3 202.342 1.373 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+]CC[C@H]1CCCN1C ZINC000340371807 386515827 /nfs/dbraw/zinc/51/58/27/386515827.db2.gz QDYOJEIWTKMTRF-QWHCGFSZSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@@H](Cn1cccn1)NCC[C@H]1CCC[N@@H+]1C ZINC000340371807 386515834 /nfs/dbraw/zinc/51/58/34/386515834.db2.gz QDYOJEIWTKMTRF-QWHCGFSZSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@@H](Cn1cccn1)NCC[C@H]1CCC[N@H+]1C ZINC000340371807 386515839 /nfs/dbraw/zinc/51/58/39/386515839.db2.gz QDYOJEIWTKMTRF-QWHCGFSZSA-N 1 3 236.363 1.346 20 0 BDADHO C[C@@H]1CCC[C@@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415033998 386522489 /nfs/dbraw/zinc/52/24/89/386522489.db2.gz JITPPCPISYQULP-KVSVUVNWSA-N 1 3 208.349 1.620 20 0 BDADHO C(CC1CCCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415037363 386524263 /nfs/dbraw/zinc/52/42/63/386524263.db2.gz KZOCHMXVFUTGCT-AWEZNQCLSA-N 1 3 240.391 1.925 20 0 BDADHO CC[C@H]1CN(CCCOC(C)C)CC[C@@H]1[NH3+] ZINC000647936459 386525710 /nfs/dbraw/zinc/52/57/10/386525710.db2.gz FJBMZKJLKOXXFW-STQMWFEESA-N 1 3 228.380 1.861 20 0 BDADHO Cc1ncccc1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414803320 386598575 /nfs/dbraw/zinc/59/85/75/386598575.db2.gz NQLOHOBDOAAZAK-GXTWGEPZSA-N 1 3 233.359 1.997 20 0 BDADHO COCc1cccc(C[NH2+]C[C@@H](N)C(C)C)c1 ZINC000414801120 386591385 /nfs/dbraw/zinc/59/13/85/386591385.db2.gz TVTYFIOVDWXMJS-CQSZACIVSA-N 1 3 236.359 1.906 20 0 BDADHO C[C@@H](CCC(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415045140 386531398 /nfs/dbraw/zinc/53/13/98/386531398.db2.gz VZJCTFHWGBSNDB-RBXMUDONSA-N 1 3 222.254 1.525 20 0 BDADHO C[C@@H](CC1CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415047731 386534910 /nfs/dbraw/zinc/53/49/10/386534910.db2.gz WHIPYOKYZRARMB-JQWIXIFHSA-N 1 3 212.337 1.143 20 0 BDADHO CCOC[C@H](C)N[C@H](C[NH3+])C1CCCC1 ZINC000415067426 386548998 /nfs/dbraw/zinc/54/89/98/386548998.db2.gz PDZCJKQCGOREBP-CMPLNLGQSA-N 1 3 214.353 1.519 20 0 BDADHO CCc1ccccc1[C@@H](N)CNCC1(C[NH3+])CC1 ZINC000415069416 386550261 /nfs/dbraw/zinc/55/02/61/386550261.db2.gz SNOIPXIXTMGJOV-AWEZNQCLSA-N 1 3 247.386 1.577 20 0 BDADHO CCOC[C@H](C)[NH2+][C@H]1CCCCNC1 ZINC000415067905 386550638 /nfs/dbraw/zinc/55/06/38/386550638.db2.gz LPBORQMXDBIGDQ-QWRGUYRKSA-N 1 3 200.326 1.143 20 0 BDADHO CCc1ccccc1[C@@H](N)CN[C@H]1CC[NH2+]C1 ZINC000415067842 386550997 /nfs/dbraw/zinc/55/09/97/386550997.db2.gz QBQIXZHONYMHQL-JSGCOSHPSA-N 1 3 233.359 1.200 20 0 BDADHO CC(C)(N)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414795970 386563393 /nfs/dbraw/zinc/56/33/93/386563393.db2.gz BGALDFPTNJOETR-UHFFFAOYSA-N 1 3 244.342 1.699 20 0 BDADHO C[C@H](CC1CCOCC1)N[C@H]1CCCC[NH2+]C1 ZINC000415074404 386565521 /nfs/dbraw/zinc/56/55/21/386565521.db2.gz PIWRXWLEOMGGAO-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H]1CCC[C@H](CN(C)C[C@H](O)C[NH3+])C1 ZINC000415073866 386570687 /nfs/dbraw/zinc/57/06/87/386570687.db2.gz YZGYODJPVZMNFR-FRRDWIJNSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@@H](CO)[N@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000415103775 386623395 /nfs/dbraw/zinc/62/33/95/386623395.db2.gz JYDJQHKJPHNOKJ-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H](CO)[N@@H+](CC1CCC1)C[C@H]1CCCNC1 ZINC000415103775 386623400 /nfs/dbraw/zinc/62/34/00/386623400.db2.gz JYDJQHKJPHNOKJ-JSGCOSHPSA-N 1 3 240.391 1.469 20 0 BDADHO CCCC[C@H](COC)N[C@H](C[NH3+])C1CC1 ZINC000414814037 386636756 /nfs/dbraw/zinc/63/67/56/386636756.db2.gz RHQLWOUVDOTDIG-VXGBXAGGSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000415139986 386638812 /nfs/dbraw/zinc/63/88/12/386638812.db2.gz MLGRUQRRYVFGLM-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@H](CO)CCC[N@H+]1C[C@H]1CCCNC1 ZINC000415139986 386638820 /nfs/dbraw/zinc/63/88/20/386638820.db2.gz MLGRUQRRYVFGLM-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@H](CO)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000415139986 386638827 /nfs/dbraw/zinc/63/88/27/386638827.db2.gz MLGRUQRRYVFGLM-AGIUHOORSA-N 1 3 226.364 1.079 20 0 BDADHO C1C[C@@H]2[C@H](CCC[C@H]2[NH2+][C@@H]2CCCNCC2)O1 ZINC000415082212 386599172 /nfs/dbraw/zinc/59/91/72/386599172.db2.gz CSLMNUWKIFOOAW-RQJABVFESA-N 1 3 238.375 1.676 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+]C[C@H](N)CC(C)C ZINC000415082016 386599712 /nfs/dbraw/zinc/59/97/12/386599712.db2.gz NQMBSOUVPKFAGY-ZIAGYGMSSA-N 1 3 241.423 1.824 20 0 BDADHO C[C@]1(CNC[C@H]2CCCCO2)CC[NH2+]C1 ZINC000062912053 386655034 /nfs/dbraw/zinc/65/50/34/386655034.db2.gz FOJFSDNPZGRIHB-NEPJUHHUSA-N 1 3 212.337 1.145 20 0 BDADHO c1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)on1 ZINC000647978653 386612783 /nfs/dbraw/zinc/61/27/83/386612783.db2.gz WHAVLIWMDKXFCC-OLZOCXBDSA-N 1 3 249.358 1.886 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCCN1 ZINC000414820082 386663603 /nfs/dbraw/zinc/66/36/03/386663603.db2.gz AFHVMFKJZVFHSZ-WCQYABFASA-N 1 3 226.364 1.533 20 0 BDADHO COc1ccc2c(c1)C[C@@H](N[C@H](C)C[NH3+])CC2 ZINC000414926778 386673826 /nfs/dbraw/zinc/67/38/26/386673826.db2.gz KWXBKOXUIRDNNO-MFKMUULPSA-N 1 3 234.343 1.489 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc2cncn2c1 ZINC000335530630 386679137 /nfs/dbraw/zinc/67/91/37/386679137.db2.gz AWNZLUPDCQLRET-OLZOCXBDSA-N 1 3 230.315 1.304 20 0 BDADHO C[C@@H]1c2ccccc2CCN1CCOCC[NH3+] ZINC000357073507 386711571 /nfs/dbraw/zinc/71/15/71/386711571.db2.gz LWDHNKLEYVMJQP-GFCCVEGCSA-N 1 3 234.343 1.581 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNC[C@H](N)c1ccccc1 ZINC000414828070 386698749 /nfs/dbraw/zinc/69/87/49/386698749.db2.gz IINHLBDWSCSIHN-KGLIPLIRSA-N 1 3 235.375 1.649 20 0 BDADHO CC(C)C[C@H](CN)[NH2+]Cc1cccnc1 ZINC000414836051 386731733 /nfs/dbraw/zinc/73/17/33/386731733.db2.gz HYBCGVXUJGPRCG-GFCCVEGCSA-N 1 3 207.321 1.545 20 0 BDADHO CC(C)OCC(C)(C)NC[C@@H]1CCC[NH2+]C1 ZINC000396411903 386738003 /nfs/dbraw/zinc/73/80/03/386738003.db2.gz GWKHXMTZXMJICN-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)OCC(C)(C)[NH2+]C[C@@H]1CCCNC1 ZINC000396411903 386738007 /nfs/dbraw/zinc/73/80/07/386738007.db2.gz GWKHXMTZXMJICN-GFCCVEGCSA-N 1 3 228.380 1.779 20 0 BDADHO COCC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414836235 386728622 /nfs/dbraw/zinc/72/86/22/386728622.db2.gz UPZDYLTUCZFQRW-FOSCPWQOSA-N 1 3 226.364 1.532 20 0 BDADHO C[NH2+]C[C@@H](C)CNC1Cc2ccccc2C1 ZINC000414841388 386754912 /nfs/dbraw/zinc/75/49/12/386754912.db2.gz NVDLEEYWPRJWBF-LLVKDONJSA-N 1 3 218.344 1.599 20 0 BDADHO C[C@]1(CN2CCC(CCCO)CC2)CC[NH2+]C1 ZINC000340712744 386761607 /nfs/dbraw/zinc/76/16/07/386761607.db2.gz QEAMVSCJGJOZQB-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO c1ncc(CNCCCCC[NH+]2CCCC2)cn1 ZINC000292995294 386761804 /nfs/dbraw/zinc/76/18/04/386761804.db2.gz MPXDKARUEDHLSW-UHFFFAOYSA-N 1 3 248.374 1.832 20 0 BDADHO C[NH+](C)CC1CCC(NCc2cocn2)CC1 ZINC000192335443 386764353 /nfs/dbraw/zinc/76/43/53/386764353.db2.gz LJQLHRFYJUVHLZ-UHFFFAOYSA-N 1 3 237.347 1.885 20 0 BDADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357358884 386768204 /nfs/dbraw/zinc/76/82/04/386768204.db2.gz XNDPCNJYRUXMMF-LBPRGKRZSA-N 1 3 241.379 1.057 20 0 BDADHO N[C@@H](CNC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000414838915 386742683 /nfs/dbraw/zinc/74/26/83/386742683.db2.gz VXJGBLQAOSRJBV-OCCSQVGLSA-N 1 3 233.359 1.276 20 0 BDADHO CCc1ccccc1[C@@H](N)CNC(=O)C[C@H](C)[NH3+] ZINC000417832316 386793003 /nfs/dbraw/zinc/79/30/03/386793003.db2.gz LFHDPVSXMCGGFO-GWCFXTLKSA-N 1 3 249.358 1.102 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000020439800 386793409 /nfs/dbraw/zinc/79/34/09/386793409.db2.gz KVSXYXMZLSWKBW-LBPRGKRZSA-N 1 3 219.332 1.642 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCOC1 ZINC000396601778 386783609 /nfs/dbraw/zinc/78/36/09/386783609.db2.gz NIASZBCYGJDHRV-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO CCc1cc(N2CCCN(C)CC2)cc[nH+]1 ZINC000334773582 386824602 /nfs/dbraw/zinc/82/46/02/386824602.db2.gz SEXIRSVHCQVDND-UHFFFAOYSA-N 1 3 219.332 1.786 20 0 BDADHO C[C@@H](C[NH3+])N[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414936936 386843125 /nfs/dbraw/zinc/84/31/25/386843125.db2.gz CNXUTTSPUVEWBB-QPUJVOFHSA-N 1 3 224.735 1.744 20 0 BDADHO CC[C@H](O)CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000398595285 386850257 /nfs/dbraw/zinc/85/02/57/386850257.db2.gz WWGVOLFNSZWCTP-AVGNSLFASA-N 1 3 228.380 1.645 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000334845286 386892121 /nfs/dbraw/zinc/89/21/21/386892121.db2.gz FDHXNJDUHJFVQS-CQLXCSJHSA-N 1 3 226.364 1.804 20 0 BDADHO CC[NH+]1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000334833035 386870780 /nfs/dbraw/zinc/87/07/80/386870780.db2.gz LYLNHECFXKSMGJ-NSHDSACASA-N 1 3 247.333 1.058 20 0 BDADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1cccnc1 ZINC000051919447 386872433 /nfs/dbraw/zinc/87/24/33/386872433.db2.gz DSXLOAXSQLBCCE-CYBMUJFWSA-N 1 3 233.359 1.903 20 0 BDADHO CC1([NH2+]Cc2ccc3c[nH]nc3c2)CCNCC1 ZINC000334840229 386884743 /nfs/dbraw/zinc/88/47/43/386884743.db2.gz BQMURXCGIDNYPE-UHFFFAOYSA-N 1 3 244.342 1.795 20 0 BDADHO Cc1cn[nH]c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000334870979 386931088 /nfs/dbraw/zinc/93/10/88/386931088.db2.gz VXBIMFAHJURHJN-OCCSQVGLSA-N 1 3 248.374 1.682 20 0 BDADHO c1ccc2c(c1)CCN[C@@H]2CN[C@H]1CCC[NH2+]C1 ZINC000334820757 386950164 /nfs/dbraw/zinc/95/01/64/386950164.db2.gz TUBDEWILTSGPAQ-DZGCQCFKSA-N 1 3 245.370 1.215 20 0 BDADHO CC(C)(CN[C@H]1CCCCC[C@@H]1[NH3+])C(N)=O ZINC000332058568 386951720 /nfs/dbraw/zinc/95/17/20/386951720.db2.gz XYWBJVYADPOVPA-UWVGGRQHSA-N 1 3 227.352 1.797 20 0 BDADHO C[C@@H]1CCN[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000334955598 387034309 /nfs/dbraw/zinc/03/43/09/387034309.db2.gz MCRFHUXTSVSVLQ-ZWNOBZJWSA-N 1 3 247.342 1.472 20 0 BDADHO CC(C)(CO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000168597292 387036897 /nfs/dbraw/zinc/03/68/97/387036897.db2.gz SCDDMVXOQUBKGQ-QWRGUYRKSA-N 1 3 214.353 1.112 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccs1 ZINC000126711661 387051646 /nfs/dbraw/zinc/05/16/46/387051646.db2.gz NDKVMJFEXHNQOS-NXEZZACHSA-N 1 3 210.346 1.917 20 0 BDADHO CC(C)C[C@H](CN(C)C)NC(=O)CC[C@H](C)[NH3+] ZINC000070315057 387064009 /nfs/dbraw/zinc/06/40/09/387064009.db2.gz FSRZWLNFPASERK-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000228084168 387065592 /nfs/dbraw/zinc/06/55/92/387065592.db2.gz BNBMLJVEASXZRL-PDWCTOEPSA-N 1 3 240.391 1.656 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000333281897 387025041 /nfs/dbraw/zinc/02/50/41/387025041.db2.gz MQHGKIRLNAYKIN-UHTWSYAYSA-N 1 3 248.374 1.374 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000228329637 387082096 /nfs/dbraw/zinc/08/20/96/387082096.db2.gz ZGAXGIOKAZGFNJ-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO CCCC[C@H](N)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000228329637 387082097 /nfs/dbraw/zinc/08/20/97/387082097.db2.gz ZGAXGIOKAZGFNJ-NEPJUHHUSA-N 1 3 243.395 1.350 20 0 BDADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH3+])N(CC)CC ZINC000359431069 387100589 /nfs/dbraw/zinc/10/05/89/387100589.db2.gz TYKLYHCNUSWQNN-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CC(C)[C@]1(C)C[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000397243689 387109811 /nfs/dbraw/zinc/10/98/11/387109811.db2.gz SNWCORYAFJBABM-MJBXVCDLSA-N 1 3 240.391 1.466 20 0 BDADHO CC(C)[C@]1(C)C[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000397243689 387109814 /nfs/dbraw/zinc/10/98/14/387109814.db2.gz SNWCORYAFJBABM-MJBXVCDLSA-N 1 3 240.391 1.466 20 0 BDADHO CC(C)[C@H](NC[C@H](C)C[NH3+])c1cccnc1 ZINC000423299411 387128940 /nfs/dbraw/zinc/12/89/40/387128940.db2.gz QCUVLMGNILGPPV-YPMHNXCESA-N 1 3 221.348 1.963 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000423298877 387129782 /nfs/dbraw/zinc/12/97/82/387129782.db2.gz PBLZOVWFHYUUPX-MGPQQGTHSA-N 1 3 241.423 1.824 20 0 BDADHO CC[C@H]([NH2+]C[C@@H](C)CN)C1(C(=O)OC)CCC1 ZINC000423299564 387130015 /nfs/dbraw/zinc/13/00/15/387130015.db2.gz BWRRIARKUKGBNB-QWRGUYRKSA-N 1 3 242.363 1.293 20 0 BDADHO C[C@@H]([NH2+]CC1CNC1)[C@H](C)c1ccccc1 ZINC000423306203 387141348 /nfs/dbraw/zinc/14/13/48/387141348.db2.gz SMIHNUIZAUIUHN-NWDGAFQWSA-N 1 3 218.344 1.988 20 0 BDADHO C[C@@H](NCC1C[NH2+]C1)[C@H](C)c1ccccc1 ZINC000423306203 387141351 /nfs/dbraw/zinc/14/13/51/387141351.db2.gz SMIHNUIZAUIUHN-NWDGAFQWSA-N 1 3 218.344 1.988 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN)[C@H]1C ZINC000423306528 387141499 /nfs/dbraw/zinc/14/14/99/387141499.db2.gz LPUFMOJXCDJZNZ-RHYQMDGZSA-N 1 3 242.363 1.149 20 0 BDADHO CCC[NH2+]CCN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000423309926 387145145 /nfs/dbraw/zinc/14/51/45/387145145.db2.gz MPHOIDWJNFUNLY-AAEUAGOBSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000423312446 387148414 /nfs/dbraw/zinc/14/84/14/387148414.db2.gz VEZLMUKHUZKUKA-CHWSQXEVSA-N 1 3 235.375 1.977 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)C1CCSCC1 ZINC000423310922 387149644 /nfs/dbraw/zinc/14/96/44/387149644.db2.gz SPLZNCOGZIKXDQ-ZJUUUORDSA-N 1 3 216.394 1.703 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN ZINC000423312477 387151143 /nfs/dbraw/zinc/15/11/43/387151143.db2.gz VFTQUVKBDAKCFH-WOPDTQHZSA-N 1 3 214.353 1.376 20 0 BDADHO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423314641 387153179 /nfs/dbraw/zinc/15/31/79/387153179.db2.gz YQKBDLKUXDFSJY-SCRDCRAPSA-N 1 3 236.359 1.947 20 0 BDADHO C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CNC1 ZINC000423314100 387153917 /nfs/dbraw/zinc/15/39/17/387153917.db2.gz GNHLAMLTRSZOFU-FRRDWIJNSA-N 1 3 236.359 1.143 20 0 BDADHO C(N[C@H]1[C@H]2CCO[C@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423314100 387153924 /nfs/dbraw/zinc/15/39/24/387153924.db2.gz GNHLAMLTRSZOFU-FRRDWIJNSA-N 1 3 236.359 1.143 20 0 BDADHO COC[C@H](NC[C@@H]([NH3+])C1CC1)C1CCCC1 ZINC000423314206 387154560 /nfs/dbraw/zinc/15/45/60/387154560.db2.gz GUJXGEHLDCFRTB-OLZOCXBDSA-N 1 3 226.364 1.519 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CCC[C@H]1CCOC ZINC000423316872 387156048 /nfs/dbraw/zinc/15/60/48/387156048.db2.gz YIRHWXBWBJQNQS-QWHCGFSZSA-N 1 3 228.380 1.781 20 0 BDADHO CCC[NH2+]CCN[C@@H]1CCC[C@@H]1CCOC ZINC000423316870 387156214 /nfs/dbraw/zinc/15/62/14/387156214.db2.gz YIRHWXBWBJQNQS-CHWSQXEVSA-N 1 3 228.380 1.781 20 0 BDADHO C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1CC[NH2+]C1 ZINC000423329908 387172244 /nfs/dbraw/zinc/17/22/44/387172244.db2.gz FOUJEODIFJIARY-UMSGYPCISA-N 1 3 236.359 1.143 20 0 BDADHO CCCCOCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000229341062 387173954 /nfs/dbraw/zinc/17/39/54/387173954.db2.gz JUDBVFMRIZMLKY-CHWSQXEVSA-N 1 3 228.380 1.910 20 0 BDADHO CC(C)[C@H](Cn1cccn1)NC[C@@H]([NH3+])C1CC1 ZINC000423338331 387188705 /nfs/dbraw/zinc/18/87/05/387188705.db2.gz YUUFLJSGGQIOAO-OLZOCXBDSA-N 1 3 236.363 1.235 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)CCN(C)C1CC1 ZINC000186792275 387135150 /nfs/dbraw/zinc/13/51/50/387135150.db2.gz VZJMDYHMUYXWHB-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)CCN(C)C1CC1 ZINC000186792275 387135153 /nfs/dbraw/zinc/13/51/53/387135153.db2.gz VZJMDYHMUYXWHB-ZDUSSCGKSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccccc1 ZINC000423301478 387135414 /nfs/dbraw/zinc/13/54/14/387135414.db2.gz TWGNDMZAFSYMDK-NEPJUHHUSA-N 1 3 249.358 1.588 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423301478 387135418 /nfs/dbraw/zinc/13/54/18/387135418.db2.gz TWGNDMZAFSYMDK-NEPJUHHUSA-N 1 3 249.358 1.588 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000423305034 387139344 /nfs/dbraw/zinc/13/93/44/387139344.db2.gz ZZNQAERXMFOKPV-RWMBFGLXSA-N 1 3 227.396 1.576 20 0 BDADHO C[C@@H](CCc1cccc(F)c1)NCC1C[NH2+]C1 ZINC000423305289 387140126 /nfs/dbraw/zinc/14/01/26/387140126.db2.gz QKNCBVWIQCMIDE-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO C[C@@H](CCc1cccc(F)c1)[NH2+]CC1CNC1 ZINC000423305289 387140132 /nfs/dbraw/zinc/14/01/32/387140132.db2.gz QKNCBVWIQCMIDE-NSHDSACASA-N 1 3 236.334 1.956 20 0 BDADHO [NH3+][C@@H]1C[C@H](NCCCCCO)c2ccccc21 ZINC000229108680 387141135 /nfs/dbraw/zinc/14/11/35/387141135.db2.gz FHKVJWKMLLKFKT-KGLIPLIRSA-N 1 3 234.343 1.883 20 0 BDADHO C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCOC1 ZINC000423356847 387206645 /nfs/dbraw/zinc/20/66/45/387206645.db2.gz HHAHSCUENOMZDC-RWMBFGLXSA-N 1 3 226.364 1.533 20 0 BDADHO Cc1ccnc([C@@H](C)NCC2=CC[NH2+]CC2)c1 ZINC000423355799 387208425 /nfs/dbraw/zinc/20/84/25/387208425.db2.gz PMQKPGRCBRNZRM-GFCCVEGCSA-N 1 3 231.343 1.960 20 0 BDADHO CCOC[C@H]1CCC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423359772 387210980 /nfs/dbraw/zinc/21/09/80/387210980.db2.gz PNQPUFPZAPUQDI-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+]CCOCCN(C)C)[C@H]1C ZINC000300425003 387211831 /nfs/dbraw/zinc/21/18/31/387211831.db2.gz OXEHLQLLBOYZAB-RDBSUJKOSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423362087 387212830 /nfs/dbraw/zinc/21/28/30/387212830.db2.gz MSRUHQHVSUMVMI-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(CC)CC ZINC000423360674 387213838 /nfs/dbraw/zinc/21/38/38/387213838.db2.gz GDWOLBIZHJALJN-QJPTWQEYSA-N 1 3 228.380 1.907 20 0 BDADHO CO[C@@H]1[C@@H](C)[C@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364471 387215177 /nfs/dbraw/zinc/21/51/77/387215177.db2.gz OOTBVGFHSJWPNB-QNWHQSFQSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366716 387219118 /nfs/dbraw/zinc/21/91/18/387219118.db2.gz QIBWBPVFYUMHEF-BZPMIXESSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423365929 387219313 /nfs/dbraw/zinc/21/93/13/387219313.db2.gz CFFKMOJDJLFMHK-HKUMRIAESA-N 1 3 237.391 1.199 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]1COCC ZINC000423367737 387220900 /nfs/dbraw/zinc/22/09/00/387220900.db2.gz ALXFQKJLEMABRS-JHJVBQTASA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](NC[C@@H]1NCCc2ccccc21)C1C[NH2+]C1 ZINC000423424945 387252983 /nfs/dbraw/zinc/25/29/83/387252983.db2.gz LYLTYJCRDSIHRM-NHYWBVRUSA-N 1 3 245.370 1.071 20 0 BDADHO C[NH2+][C@@H](C)CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423397615 387232961 /nfs/dbraw/zinc/23/29/61/387232961.db2.gz SRLZUOFRNJPFRM-QNWHQSFQSA-N 1 3 238.375 1.532 20 0 BDADHO Nc1cccc(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000352488282 387248038 /nfs/dbraw/zinc/24/80/38/387248038.db2.gz OHNNXDYOUXIHNQ-CQSZACIVSA-N 1 3 233.359 1.972 20 0 BDADHO FCC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423422375 387250705 /nfs/dbraw/zinc/25/07/05/387250705.db2.gz CQFXFGTVBDAXGZ-HHHUOAJASA-N 1 3 212.312 1.322 20 0 BDADHO C[C@H](C[NH3+])CNC(=O)c1ccccc1CN(C)C ZINC000423461667 387311022 /nfs/dbraw/zinc/31/10/22/387311022.db2.gz SYNDONZPKUJVLY-LLVKDONJSA-N 1 3 249.358 1.073 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1cccs1 ZINC000643498333 387271538 /nfs/dbraw/zinc/27/15/38/387271538.db2.gz YIMSCZFQFFRJTD-SNVBAGLBSA-N 1 3 212.362 1.878 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000161851667 387273925 /nfs/dbraw/zinc/27/39/25/387273925.db2.gz DMAMVTJHHTVAJB-ZDUSSCGKSA-N 1 3 235.375 1.847 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1C[C@H]1c1ccccc1 ZINC000423433597 387283287 /nfs/dbraw/zinc/28/32/87/387283287.db2.gz PIIIFVIHZFXJQK-UUQGLZGGSA-N 1 3 242.366 1.986 20 0 BDADHO Cn1cc(CNCC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000459746136 387284442 /nfs/dbraw/zinc/28/44/42/387284442.db2.gz YZRJKOQLMIZNQE-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO Cn1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459746136 387284447 /nfs/dbraw/zinc/28/44/47/387284447.db2.gz YZRJKOQLMIZNQE-LBPRGKRZSA-N 1 3 236.363 1.242 20 0 BDADHO CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC1(C)C ZINC000423434081 387285643 /nfs/dbraw/zinc/28/56/43/387285643.db2.gz PSMXKHRBJKDFEJ-KZZRWZIVSA-N 1 3 208.349 1.619 20 0 BDADHO COC[C@]1(CN[C@@H](C)C2CCCC2)CCC[NH2+]1 ZINC000423439090 387288613 /nfs/dbraw/zinc/28/86/13/387288613.db2.gz VEXFYDRLDBOVJD-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423527239 387356225 /nfs/dbraw/zinc/35/62/25/387356225.db2.gz MCUNTUVGWFCISZ-PWSUYJOCSA-N 1 3 241.379 1.138 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423481548 387364522 /nfs/dbraw/zinc/36/45/22/387364522.db2.gz WVPXGTNHHCKIJT-YFKTTZPYSA-N 1 3 226.364 1.517 20 0 BDADHO COCC1CCC(NC[C@H]2CCCC[NH2+]2)CC1 ZINC000643502229 387364655 /nfs/dbraw/zinc/36/46/55/387364655.db2.gz AMCSRHGVJYDNKE-JXQTWKCFSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1COCC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423568583 387377076 /nfs/dbraw/zinc/37/70/76/387377076.db2.gz VPTRFWIYWYLVLH-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423566316 387377751 /nfs/dbraw/zinc/37/77/51/387377751.db2.gz UBUYHDUNTBABQD-YRGRVCCFSA-N 1 3 237.391 1.201 20 0 BDADHO c1cn(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000336495830 387321196 /nfs/dbraw/zinc/32/11/96/387321196.db2.gz DDRCJMGVYWGWBO-CYBMUJFWSA-N 1 3 248.374 1.520 20 0 BDADHO c1cn(C2CC[NH+](C[C@@H]3CCCNC3)CC2)cn1 ZINC000336495830 387321199 /nfs/dbraw/zinc/32/11/99/387321199.db2.gz DDRCJMGVYWGWBO-CYBMUJFWSA-N 1 3 248.374 1.520 20 0 BDADHO C[C@@H](NCCC[C@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477559 387324857 /nfs/dbraw/zinc/32/48/57/387324857.db2.gz KAZCUCGWWUVCHS-NEPJUHHUSA-N 1 3 236.363 1.603 20 0 BDADHO Cc1cc(N)cc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000423483112 387330150 /nfs/dbraw/zinc/33/01/50/387330150.db2.gz RZZHDQOXVCYQRT-OCCSQVGLSA-N 1 3 233.359 1.794 20 0 BDADHO CCN(C[C@H](O)C[N@H+](C)CC)C1CC(C)(C)C1 ZINC000515069390 387331336 /nfs/dbraw/zinc/33/13/36/387331336.db2.gz INYWWGKEMPALEN-CYBMUJFWSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(C[C@H](O)C[N@@H+](C)CC)C1CC(C)(C)C1 ZINC000515069390 387331337 /nfs/dbraw/zinc/33/13/37/387331337.db2.gz INYWWGKEMPALEN-CYBMUJFWSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(C[C@@H](O)C[N@H+](C)CC)C1CC(C)(C)C1 ZINC000515069395 387331479 /nfs/dbraw/zinc/33/14/79/387331479.db2.gz INYWWGKEMPALEN-ZDUSSCGKSA-N 1 3 242.407 1.810 20 0 BDADHO CCN(C[C@@H](O)C[N@@H+](C)CC)C1CC(C)(C)C1 ZINC000515069395 387331483 /nfs/dbraw/zinc/33/14/83/387331483.db2.gz INYWWGKEMPALEN-ZDUSSCGKSA-N 1 3 242.407 1.810 20 0 BDADHO CCc1ccccc1[C@@H](N)CN[C@H](C)C1C[NH2+]C1 ZINC000423494893 387338726 /nfs/dbraw/zinc/33/87/26/387338726.db2.gz BFKSTDDLDMPEMD-ABAIWWIYSA-N 1 3 247.386 1.446 20 0 BDADHO CC[NH+]1CCC(CCNCc2cnccn2)CC1 ZINC000516006261 387447403 /nfs/dbraw/zinc/44/74/03/387447403.db2.gz XBEZVVBAYYNAGW-UHFFFAOYSA-N 1 3 248.374 1.688 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCC1(CO)CCCCC1 ZINC000643466261 387386434 /nfs/dbraw/zinc/38/64/34/387386434.db2.gz NNSJSLLVFCYVKY-RYUDHWBXSA-N 1 3 226.364 1.399 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CC1(CO)CCCCC1 ZINC000643466295 387387649 /nfs/dbraw/zinc/38/76/49/387387649.db2.gz XBCYPFRVOFWJAS-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCC1(CO)CCCCC1 ZINC000643466295 387387656 /nfs/dbraw/zinc/38/76/56/387387656.db2.gz XBCYPFRVOFWJAS-NWDGAFQWSA-N 1 3 228.380 1.645 20 0 BDADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N(CC)CC ZINC000423655032 387391610 /nfs/dbraw/zinc/39/16/10/387391610.db2.gz UPXBHZLMYCQKFE-SDDRHHMPSA-N 1 3 241.379 1.055 20 0 BDADHO CC1(C)C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CO1 ZINC000396841612 387500635 /nfs/dbraw/zinc/50/06/35/387500635.db2.gz HXGYJXVASMDDFT-RWMBFGLXSA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CO1 ZINC000396841612 387500638 /nfs/dbraw/zinc/50/06/38/387500638.db2.gz HXGYJXVASMDDFT-RWMBFGLXSA-N 1 3 238.375 1.770 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396846549 387501061 /nfs/dbraw/zinc/50/10/61/387501061.db2.gz HECIXRUTPKRIIL-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396846549 387501065 /nfs/dbraw/zinc/50/10/65/387501065.db2.gz HECIXRUTPKRIIL-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396846549 387501072 /nfs/dbraw/zinc/50/10/72/387501072.db2.gz HECIXRUTPKRIIL-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000396846551 387501607 /nfs/dbraw/zinc/50/16/07/387501607.db2.gz HECIXRUTPKRIIL-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396846551 387501611 /nfs/dbraw/zinc/50/16/11/387501611.db2.gz HECIXRUTPKRIIL-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000396846551 387501612 /nfs/dbraw/zinc/50/16/12/387501612.db2.gz HECIXRUTPKRIIL-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000192795674 387535093 /nfs/dbraw/zinc/53/50/93/387535093.db2.gz BIOQTTJBFYCJEW-FRRDWIJNSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192795674 387535094 /nfs/dbraw/zinc/53/50/94/387535094.db2.gz BIOQTTJBFYCJEW-FRRDWIJNSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192795674 387535096 /nfs/dbraw/zinc/53/50/96/387535096.db2.gz BIOQTTJBFYCJEW-FRRDWIJNSA-N 1 3 240.391 1.610 20 0 BDADHO CCC1(O)CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000643474164 387488909 /nfs/dbraw/zinc/48/89/09/387488909.db2.gz LGMZRBFJWQJLLW-ZFDZMSFRSA-N 1 3 228.380 1.786 20 0 BDADHO C[C@H](N[C@@H](CO)[C@@H](C)c1ccccc1)C1C[NH2+]C1 ZINC000643474453 387490308 /nfs/dbraw/zinc/49/03/08/387490308.db2.gz PLFDAOFLLPBVCR-HUBLWGQQSA-N 1 3 248.370 1.349 20 0 BDADHO C[C@@H](c1ccccc1)[C@H](CO)[NH2+][C@@H](C)C1CNC1 ZINC000643474453 387490316 /nfs/dbraw/zinc/49/03/16/387490316.db2.gz PLFDAOFLLPBVCR-HUBLWGQQSA-N 1 3 248.370 1.349 20 0 BDADHO CCCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000304585936 387493560 /nfs/dbraw/zinc/49/35/60/387493560.db2.gz OVXHUNQVBDBGNR-CYBMUJFWSA-N 1 3 225.380 1.156 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000375851002 387586960 /nfs/dbraw/zinc/58/69/60/387586960.db2.gz KJUVZUYVYPQCMD-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000422541998 387596465 /nfs/dbraw/zinc/59/64/65/387596465.db2.gz PFTARSCFOBSEEZ-TVQRCGJNSA-N 1 3 247.342 1.772 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000422541996 387596741 /nfs/dbraw/zinc/59/67/41/387596741.db2.gz PFTARSCFOBSEEZ-NOZJJQNGSA-N 1 3 247.342 1.772 20 0 BDADHO C[C@H](Cc1cccs1)NCC1C[NH2+]C1 ZINC000643515977 387616760 /nfs/dbraw/zinc/61/67/60/387616760.db2.gz FDBUSAMLUXOYTB-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO C[C@H](Cc1cccs1)[NH2+]CC1CNC1 ZINC000643515977 387616763 /nfs/dbraw/zinc/61/67/63/387616763.db2.gz FDBUSAMLUXOYTB-SECBINFHSA-N 1 3 210.346 1.488 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422706622 387620660 /nfs/dbraw/zinc/62/06/60/387620660.db2.gz FNPZVIMJYIDTGH-LNFKQOIKSA-N 1 3 202.342 1.109 20 0 BDADHO CCCCN(C)CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422708262 387622760 /nfs/dbraw/zinc/62/27/60/387622760.db2.gz ISTVTSITBPASTD-NWDGAFQWSA-N 1 3 213.369 1.188 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000422711748 387625316 /nfs/dbraw/zinc/62/53/16/387625316.db2.gz GCEPGSARTABADA-WCQYABFASA-N 1 3 236.363 1.169 20 0 BDADHO Cc1nccn1CCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422711748 387625321 /nfs/dbraw/zinc/62/53/21/387625321.db2.gz GCEPGSARTABADA-WCQYABFASA-N 1 3 236.363 1.169 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNc1ccccn1 ZINC000361881824 387548462 /nfs/dbraw/zinc/54/84/62/387548462.db2.gz WXZISAPZROZEBG-STQMWFEESA-N 1 3 248.374 1.423 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNc1ccccn1 ZINC000361881824 387548466 /nfs/dbraw/zinc/54/84/66/387548466.db2.gz WXZISAPZROZEBG-STQMWFEESA-N 1 3 248.374 1.423 20 0 BDADHO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037648929 387565673 /nfs/dbraw/zinc/56/56/73/387565673.db2.gz XGENSPMQPNYQJL-LBPRGKRZSA-N 1 3 248.374 1.600 20 0 BDADHO CN(C)CCN(C(=O)CCC[NH3+])C1CCCC1 ZINC000037825048 387567176 /nfs/dbraw/zinc/56/71/76/387567176.db2.gz HTPMDYLVRFLVTF-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO CN(CCN1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430614288 387632922 /nfs/dbraw/zinc/63/29/22/387632922.db2.gz XWFVYIRGBNKRSW-CQSZACIVSA-N 1 3 247.386 1.794 20 0 BDADHO COCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422728058 387635422 /nfs/dbraw/zinc/63/54/22/387635422.db2.gz DWWZNNKVSAEFDO-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO C[C@@H](NCCc1ccc2c(c1)CCO2)C1C[NH2+]C1 ZINC000422733736 387640552 /nfs/dbraw/zinc/64/05/52/387640552.db2.gz RKZISDGZKRUWGR-LLVKDONJSA-N 1 3 246.354 1.362 20 0 BDADHO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)C1CNC1 ZINC000422733736 387640556 /nfs/dbraw/zinc/64/05/56/387640556.db2.gz RKZISDGZKRUWGR-LLVKDONJSA-N 1 3 246.354 1.362 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@]1(C)CCOC1 ZINC000422736321 387643032 /nfs/dbraw/zinc/64/30/32/387643032.db2.gz VXGBTNLSKIMGIB-IJLUTSLNSA-N 1 3 212.337 1.001 20 0 BDADHO CC[NH+](CC)CCCCNC(=O)[C@H](N)C(C)C ZINC000430716948 387643251 /nfs/dbraw/zinc/64/32/51/387643251.db2.gz ULFHXJBJFHPMPW-GFCCVEGCSA-N 1 3 243.395 1.208 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(CO)c1 ZINC000422736564 387643885 /nfs/dbraw/zinc/64/38/85/387643885.db2.gz GOFWVVQGWZIDGH-MNOVXSKESA-N 1 3 222.332 1.394 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](O)Cc1ccccc1 ZINC000422736237 387644150 /nfs/dbraw/zinc/64/41/50/387644150.db2.gz FZZJUDFXOWLTGS-KKUMJFAQSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422736237 387644152 /nfs/dbraw/zinc/64/41/52/387644152.db2.gz FZZJUDFXOWLTGS-KKUMJFAQSA-N 1 3 248.370 1.307 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)N(C)C ZINC000422740382 387648405 /nfs/dbraw/zinc/64/84/05/387648405.db2.gz MPWSUOVKIHZFRU-UTUOFQBUSA-N 1 3 213.369 1.057 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000422746142 387650460 /nfs/dbraw/zinc/65/04/60/387650460.db2.gz VZYODZUUPXZBKQ-BZPMIXESSA-N 1 3 237.391 1.201 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000430795688 387650910 /nfs/dbraw/zinc/65/09/10/387650910.db2.gz HKONPHPLPALHIG-TUAOUCFPSA-N 1 3 241.379 1.055 20 0 BDADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000430795688 387650913 /nfs/dbraw/zinc/65/09/13/387650913.db2.gz HKONPHPLPALHIG-TUAOUCFPSA-N 1 3 241.379 1.055 20 0 BDADHO C[C@@H](CCCCO)[NH2+]C[C@@]1(C)CCCNC1 ZINC000643518696 387652382 /nfs/dbraw/zinc/65/23/82/387652382.db2.gz LZNPGWZXVDIFCG-STQMWFEESA-N 1 3 228.380 1.517 20 0 BDADHO CSCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422749784 387655586 /nfs/dbraw/zinc/65/55/86/387655586.db2.gz AXHGXFSAOVTZDJ-MNOVXSKESA-N 1 3 216.394 1.717 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000422750267 387656331 /nfs/dbraw/zinc/65/63/31/387656331.db2.gz AJTWHVSZHYVMHJ-QJPTWQEYSA-N 1 3 248.326 1.296 20 0 BDADHO CN(C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422757862 387661940 /nfs/dbraw/zinc/66/19/40/387661940.db2.gz NDSKSBRZGBLAMX-RBSFLKMASA-N 1 3 247.386 1.759 20 0 BDADHO CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1N)c1ccccc1 ZINC000422757862 387661943 /nfs/dbraw/zinc/66/19/43/387661943.db2.gz NDSKSBRZGBLAMX-RBSFLKMASA-N 1 3 247.386 1.759 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422764154 387665330 /nfs/dbraw/zinc/66/53/30/387665330.db2.gz URLJKORSICJFGJ-GARJFASQSA-N 1 3 216.394 1.716 20 0 BDADHO CSC[C@H](C)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422764154 387665332 /nfs/dbraw/zinc/66/53/32/387665332.db2.gz URLJKORSICJFGJ-GARJFASQSA-N 1 3 216.394 1.716 20 0 BDADHO C[C@@H](NCCCNc1ccccc1)C1C[NH2+]C1 ZINC000422763675 387665932 /nfs/dbraw/zinc/66/59/32/387665932.db2.gz UITWXELRXPFETL-GFCCVEGCSA-N 1 3 233.359 1.686 20 0 BDADHO C[C@@H]([NH2+]CCCNc1ccccc1)C1CNC1 ZINC000422763675 387665939 /nfs/dbraw/zinc/66/59/39/387665939.db2.gz UITWXELRXPFETL-GFCCVEGCSA-N 1 3 233.359 1.686 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOC1CCCC1 ZINC000422766511 387667921 /nfs/dbraw/zinc/66/79/21/387667921.db2.gz QEMYJKZVBHXPLE-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1cn[nH]c1 ZINC000305952320 387668307 /nfs/dbraw/zinc/66/83/07/387668307.db2.gz NFKXYUFEGZVZPR-LLVKDONJSA-N 1 3 236.363 1.792 20 0 BDADHO FC(F)COCCN1CCC2(CC[NH2+]C2)CC1 ZINC000431038630 387673714 /nfs/dbraw/zinc/67/37/14/387673714.db2.gz TZYMLVMPEMFDIU-UHFFFAOYSA-N 1 3 248.317 1.344 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)[C@@H]1CCOC1 ZINC000422779134 387677437 /nfs/dbraw/zinc/67/74/37/387677437.db2.gz BNARPHNPRRZJLX-RQJABVFESA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000422781061 387681740 /nfs/dbraw/zinc/68/17/40/387681740.db2.gz KDEIHARKUHFWGZ-FIQHERPVSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCC[C@H]1O ZINC000422781061 387681744 /nfs/dbraw/zinc/68/17/44/387681744.db2.gz KDEIHARKUHFWGZ-FIQHERPVSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2N)CCN1C ZINC000422784074 387684399 /nfs/dbraw/zinc/68/43/99/387684399.db2.gz PFYHGSQHOQRGNX-MQYQWHSLSA-N 1 3 239.407 1.719 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422785004 387684749 /nfs/dbraw/zinc/68/47/49/387684749.db2.gz QLOWDFNWVOZHLU-IJLUTSLNSA-N 1 3 214.353 1.110 20 0 BDADHO CN(C)C1(C[NH2+][C@H]2CCC[C@@H]2N)CCCC1 ZINC000422786438 387685916 /nfs/dbraw/zinc/68/59/16/387685916.db2.gz ORQDCXIKGGNQAZ-RYUDHWBXSA-N 1 3 225.380 1.330 20 0 BDADHO CC1(C)[C@H]([NH2+]C2CCNCC2)[C@H]2CCCO[C@@H]21 ZINC000422788466 387689666 /nfs/dbraw/zinc/68/96/66/387689666.db2.gz VLKTTZFLJNLFTO-UPJWGTAASA-N 1 3 238.375 1.532 20 0 BDADHO CC1(C)[C@H](NC2CC[NH2+]CC2)[C@H]2CCCO[C@@H]21 ZINC000422788466 387689670 /nfs/dbraw/zinc/68/96/70/387689670.db2.gz VLKTTZFLJNLFTO-UPJWGTAASA-N 1 3 238.375 1.532 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422742842 387690748 /nfs/dbraw/zinc/69/07/48/387690748.db2.gz QTNLCCUISWUGEA-QWHCGFSZSA-N 1 3 220.316 1.148 20 0 BDADHO C[C@@H](N[C@H]1CCN(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422743781 387691082 /nfs/dbraw/zinc/69/10/82/387691082.db2.gz RVJYPWFCLFLZBD-MBNYWOFBSA-N 1 3 237.391 1.343 20 0 BDADHO CCOC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044690635 387692415 /nfs/dbraw/zinc/69/24/15/387692415.db2.gz INOFYHHNEKSBIL-WODVXLOZSA-N 1 3 226.364 1.626 20 0 BDADHO CCOC[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044690635 387692422 /nfs/dbraw/zinc/69/24/22/387692422.db2.gz INOFYHHNEKSBIL-WODVXLOZSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@H]1CCNC[C@H]1[NH2+]Cc1cccc(CO)c1 ZINC000422744859 387692465 /nfs/dbraw/zinc/69/24/65/387692465.db2.gz UGIQLWVHJWFPNH-SMDDNHRTSA-N 1 3 234.343 1.267 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCC[C@@H](C)C1 ZINC000422868276 387749454 /nfs/dbraw/zinc/74/94/54/387749454.db2.gz UTCMOWBVFJMMON-FRRDWIJNSA-N 1 3 227.396 1.434 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@H](C)C1C[NH2+]C1 ZINC000422796276 387700097 /nfs/dbraw/zinc/70/00/97/387700097.db2.gz YBEIFGLXSUAMHU-ADEWGFFLSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C1CNC1 ZINC000422796276 387700100 /nfs/dbraw/zinc/70/01/00/387700100.db2.gz YBEIFGLXSUAMHU-ADEWGFFLSA-N 1 3 212.337 1.142 20 0 BDADHO CCC(CC)(CCO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422806578 387705606 /nfs/dbraw/zinc/70/56/06/387705606.db2.gz IHKJZFYWSPESPV-CHWSQXEVSA-N 1 3 242.407 1.892 20 0 BDADHO COCc1ccccc1C[NH2+][C@H]1CCC[C@@H]1N ZINC000422806860 387706564 /nfs/dbraw/zinc/70/65/64/387706564.db2.gz NZNGIQFJAODQNQ-KBPBESRZSA-N 1 3 234.343 1.802 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000422811569 387710455 /nfs/dbraw/zinc/71/04/55/387710455.db2.gz PEUKPKYPUDRXNQ-STQMWFEESA-N 1 3 236.363 1.251 20 0 BDADHO CC[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816314 387714329 /nfs/dbraw/zinc/71/43/29/387714329.db2.gz ZLQZQZPMFRMQSN-YUTCNCBUSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCN1)C1CCOCC1 ZINC000422816314 387714332 /nfs/dbraw/zinc/71/43/32/387714332.db2.gz ZLQZQZPMFRMQSN-YUTCNCBUSA-N 1 3 240.391 1.922 20 0 BDADHO N[C@H]1CCCCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422814783 387715490 /nfs/dbraw/zinc/71/54/90/387715490.db2.gz WBMPQYICCJVQIP-UONOGXRCSA-N 1 3 239.407 1.722 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CCCCC1 ZINC000422814783 387715496 /nfs/dbraw/zinc/71/54/96/387715496.db2.gz WBMPQYICCJVQIP-UONOGXRCSA-N 1 3 239.407 1.722 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790426 387715554 /nfs/dbraw/zinc/71/55/54/387715554.db2.gz OGEZLYQZONGGLN-CEUNDQEZSA-N 1 3 236.359 1.382 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C12CC(C1)CO2 ZINC000527790426 387715561 /nfs/dbraw/zinc/71/55/61/387715561.db2.gz OGEZLYQZONGGLN-CEUNDQEZSA-N 1 3 236.359 1.382 20 0 BDADHO Cc1nc(CCN[C@H](C)C[C@@H](C)[NH3+])cs1 ZINC000422821907 387716778 /nfs/dbraw/zinc/71/67/78/387716778.db2.gz ZEQWAXABDCBPON-RKDXNWHRSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1cn2ccccc2n1 ZINC000422820448 387717499 /nfs/dbraw/zinc/71/74/99/387717499.db2.gz QPZBZAAGISSCET-VXGBXAGGSA-N 1 3 246.358 1.592 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000422820448 387717503 /nfs/dbraw/zinc/71/75/03/387717503.db2.gz QPZBZAAGISSCET-VXGBXAGGSA-N 1 3 246.358 1.592 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCOCc1ccccc1 ZINC000422825001 387720825 /nfs/dbraw/zinc/72/08/25/387720825.db2.gz OVRAXVUOGNXEFO-STQMWFEESA-N 1 3 236.359 1.919 20 0 BDADHO CCCN(CC)CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422828116 387723769 /nfs/dbraw/zinc/72/37/69/387723769.db2.gz SVVDCGCXIUNUDV-UONOGXRCSA-N 1 3 241.423 1.968 20 0 BDADHO COCCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422830681 387724059 /nfs/dbraw/zinc/72/40/59/387724059.db2.gz WCHOXZZGJQUXGD-STQMWFEESA-N 1 3 228.380 1.781 20 0 BDADHO C[C@H](Cc1ccncc1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422832819 387726155 /nfs/dbraw/zinc/72/61/55/387726155.db2.gz GDSSAGYDJFEBHU-SDDRHHMPSA-N 1 3 221.348 1.728 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422832819 387726158 /nfs/dbraw/zinc/72/61/58/387726158.db2.gz GDSSAGYDJFEBHU-SDDRHHMPSA-N 1 3 221.348 1.728 20 0 BDADHO CO[C@@H]1C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1(C)C ZINC000422850835 387735501 /nfs/dbraw/zinc/73/55/01/387735501.db2.gz OFDPRBHWTTVWKQ-VPOLOUISSA-N 1 3 214.353 1.515 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1(C)C ZINC000422850835 387735506 /nfs/dbraw/zinc/73/55/06/387735506.db2.gz OFDPRBHWTTVWKQ-VPOLOUISSA-N 1 3 214.353 1.515 20 0 BDADHO CC(C)N(C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128029621 387735684 /nfs/dbraw/zinc/73/56/84/387735684.db2.gz HHZSKLWNHDFVEZ-UONOGXRCSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)N(C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128029621 387735690 /nfs/dbraw/zinc/73/56/90/387735690.db2.gz HHZSKLWNHDFVEZ-UONOGXRCSA-N 1 3 239.407 1.543 20 0 BDADHO Cc1cccc(CCN[C@@H](C)C2C[NH2+]C2)c1 ZINC000422852985 387738137 /nfs/dbraw/zinc/73/81/37/387738137.db2.gz YMYYUAZDRAKLPV-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO Cc1cccc(CC[NH2+][C@@H](C)C2CNC2)c1 ZINC000422852985 387738141 /nfs/dbraw/zinc/73/81/41/387738141.db2.gz YMYYUAZDRAKLPV-LBPRGKRZSA-N 1 3 218.344 1.735 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)CN1C1CC1 ZINC000422851725 387738428 /nfs/dbraw/zinc/73/84/28/387738428.db2.gz FVBVFBWYTGCGIB-UPJWGTAASA-N 1 3 237.391 1.343 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000643524232 387739002 /nfs/dbraw/zinc/73/90/02/387739002.db2.gz XBFLSVBUTRCPKP-QNWHQSFQSA-N 1 3 226.364 1.804 20 0 BDADHO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422892043 387763599 /nfs/dbraw/zinc/76/35/99/387763599.db2.gz LWASCNCEWQBUGW-NTZNESFSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCN1)C1CCOCC1 ZINC000422892043 387763602 /nfs/dbraw/zinc/76/36/02/387763602.db2.gz LWASCNCEWQBUGW-NTZNESFSSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H](NC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422896422 387765691 /nfs/dbraw/zinc/76/56/91/387765691.db2.gz IGVNRCQBDQLONM-UTUOFQBUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422898011 387765708 /nfs/dbraw/zinc/76/57/08/387765708.db2.gz DGWCMBYSWKVCGX-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422910282 387768863 /nfs/dbraw/zinc/76/88/63/387768863.db2.gz QDIWCILGBBICFQ-YNEHKIRRSA-N 1 3 227.396 1.576 20 0 BDADHO C[C@@H]([NH3+])CNC1CCN(c2ccccc2)CC1 ZINC000643528757 387772441 /nfs/dbraw/zinc/77/24/41/387772441.db2.gz OEPAFBNNLBYINE-GFCCVEGCSA-N 1 3 233.359 1.592 20 0 BDADHO C[C@H](N)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000643528922 387773436 /nfs/dbraw/zinc/77/34/36/387773436.db2.gz QVJVRDCYEFOLPG-KCQAQPDRSA-N 1 3 247.386 1.444 20 0 BDADHO C[C@H]([NH3+])CN[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000643528922 387773439 /nfs/dbraw/zinc/77/34/39/387773439.db2.gz QVJVRDCYEFOLPG-KCQAQPDRSA-N 1 3 247.386 1.444 20 0 BDADHO C[C@H](O)CC(C)(C)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422916166 387774057 /nfs/dbraw/zinc/77/40/57/387774057.db2.gz CNRMXAMKIBDUBV-WOPDTQHZSA-N 1 3 228.380 1.371 20 0 BDADHO Cc1cccc(NCCN[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422923077 387778385 /nfs/dbraw/zinc/77/83/85/387778385.db2.gz VCTQIACFEKLIQI-OLZOCXBDSA-N 1 3 248.374 1.519 20 0 BDADHO Cc1cccc(NCC[NH2+][C@H]2CCC[C@@H]2CN)n1 ZINC000422923077 387778390 /nfs/dbraw/zinc/77/83/90/387778390.db2.gz VCTQIACFEKLIQI-OLZOCXBDSA-N 1 3 248.374 1.519 20 0 BDADHO Cc1cccc(NCCN[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000422923076 387778481 /nfs/dbraw/zinc/77/84/81/387778481.db2.gz VCTQIACFEKLIQI-CHWSQXEVSA-N 1 3 248.374 1.519 20 0 BDADHO Cc1cccc(NCC[NH2+][C@@H]2CCC[C@@H]2CN)n1 ZINC000422923076 387778485 /nfs/dbraw/zinc/77/84/85/387778485.db2.gz VCTQIACFEKLIQI-CHWSQXEVSA-N 1 3 248.374 1.519 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCC(C)(C)C ZINC000422925925 387779256 /nfs/dbraw/zinc/77/92/56/387779256.db2.gz BWUJKIULOOOYEQ-TUAOUCFPSA-N 1 3 228.380 1.765 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947869 387784826 /nfs/dbraw/zinc/78/48/26/387784826.db2.gz QPPXJGAOHFOMIN-STQMWFEESA-N 1 3 238.306 1.674 20 0 BDADHO OC1CC(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000432408933 387787047 /nfs/dbraw/zinc/78/70/47/387787047.db2.gz DJDBOEGSUPEKGV-DKNRTOFZSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000432408933 387787051 /nfs/dbraw/zinc/78/70/51/387787051.db2.gz DJDBOEGSUPEKGV-DKNRTOFZSA-N 1 3 238.375 1.364 20 0 BDADHO OC1CC(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000432408933 387787056 /nfs/dbraw/zinc/78/70/56/387787056.db2.gz DJDBOEGSUPEKGV-DKNRTOFZSA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422903632 387787033 /nfs/dbraw/zinc/78/70/33/387787033.db2.gz OQHBDOKJWHFESR-QNWHQSFQSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422982241 387794157 /nfs/dbraw/zinc/79/41/57/387794157.db2.gz WHXOGHJOLULUJC-MCIONIFRSA-N 1 3 242.407 1.891 20 0 BDADHO Oc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422985272 387795050 /nfs/dbraw/zinc/79/50/50/387795050.db2.gz CXEZQJUYLUORFT-PBWFPOADSA-N 1 3 246.354 1.807 20 0 BDADHO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)CCO1 ZINC000422985364 387796343 /nfs/dbraw/zinc/79/63/43/387796343.db2.gz DKEQRJVCSDOLES-ZDEQEGDKSA-N 1 3 228.380 1.905 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(CCO)CCC1 ZINC000422993097 387801074 /nfs/dbraw/zinc/80/10/74/387801074.db2.gz SIMBTVVBGMRRGL-NEPJUHHUSA-N 1 3 226.364 1.127 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1ccccn1 ZINC000423000040 387804325 /nfs/dbraw/zinc/80/43/25/387804325.db2.gz ULKDPPQFERMXHI-VXGBXAGGSA-N 1 3 221.348 1.730 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1ccccn1 ZINC000423000040 387804327 /nfs/dbraw/zinc/80/43/27/387804327.db2.gz ULKDPPQFERMXHI-VXGBXAGGSA-N 1 3 221.348 1.730 20 0 BDADHO COc1cccc(C[C@H](C)N[C@H](C)C2C[NH2+]C2)c1 ZINC000422952228 387806775 /nfs/dbraw/zinc/80/67/75/387806775.db2.gz AMKXEKHINKBETA-NWDGAFQWSA-N 1 3 248.370 1.824 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+][C@H](C)C2CNC2)c1 ZINC000422952228 387806779 /nfs/dbraw/zinc/80/67/79/387806779.db2.gz AMKXEKHINKBETA-NWDGAFQWSA-N 1 3 248.370 1.824 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNc1ccccn1 ZINC000423001946 387806997 /nfs/dbraw/zinc/80/69/97/387806997.db2.gz FJARAAIDSJSRCF-QWHCGFSZSA-N 1 3 248.374 1.601 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423001946 387806999 /nfs/dbraw/zinc/80/69/99/387806999.db2.gz FJARAAIDSJSRCF-QWHCGFSZSA-N 1 3 248.374 1.601 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000422951890 387807224 /nfs/dbraw/zinc/80/72/24/387807224.db2.gz AQOQOUBPVPMZGV-XQQFMLRXSA-N 1 3 240.391 1.909 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442603005 387807417 /nfs/dbraw/zinc/80/74/17/387807417.db2.gz JOYDQIZOSOJPLL-RYUDHWBXSA-N 1 3 241.379 1.091 20 0 BDADHO Cc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1N ZINC000422949131 387807369 /nfs/dbraw/zinc/80/73/69/387807369.db2.gz SXEAOARCCSPUHE-CHWSQXEVSA-N 1 3 234.343 1.843 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442604250 387807524 /nfs/dbraw/zinc/80/75/24/387807524.db2.gz XKYPZUMCSWWSBS-YPMHNXCESA-N 1 3 241.379 1.091 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCCC1 ZINC000422965263 387813535 /nfs/dbraw/zinc/81/35/35/387813535.db2.gz OFIZJJDCORFBGH-JHJVBQTASA-N 1 3 225.380 1.330 20 0 BDADHO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422974567 387822880 /nfs/dbraw/zinc/82/28/80/387822880.db2.gz FJPQQSRCVKVCGJ-AGIUHOORSA-N 1 3 228.380 1.371 20 0 BDADHO CCC(O)(CC)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422973657 387823480 /nfs/dbraw/zinc/82/34/80/387823480.db2.gz PFAWALWHMUAVDR-UWVGGRQHSA-N 1 3 200.326 1.007 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422975462 387824681 /nfs/dbraw/zinc/82/46/81/387824681.db2.gz GUPLPVVXPSDNHT-FIQHERPVSA-N 1 3 246.420 1.077 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[C@H](O)C1 ZINC000423003564 387825985 /nfs/dbraw/zinc/82/59/85/387825985.db2.gz HXWKKHKFXUJYRP-NDBYEHHHSA-N 1 3 226.364 1.125 20 0 BDADHO CCOCCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000423004022 387827304 /nfs/dbraw/zinc/82/73/04/387827304.db2.gz OCCVVRQQHRAEDR-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO COC[C@H](N[C@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005888 387828121 /nfs/dbraw/zinc/82/81/21/387828121.db2.gz NLXKHBJQFBZIOP-PWSUYJOCSA-N 1 3 240.347 1.993 20 0 BDADHO COc1cccc(CCN[C@H]2CCC[NH2+]CC2)n1 ZINC000423007364 387828195 /nfs/dbraw/zinc/82/81/95/387828195.db2.gz QMABSSKSQGJHPR-LBPRGKRZSA-N 1 3 249.358 1.364 20 0 BDADHO COC[C@@H](N[C@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005889 387829064 /nfs/dbraw/zinc/82/90/64/387829064.db2.gz NLXKHBJQFBZIOP-ZYHUDNBSSA-N 1 3 240.347 1.993 20 0 BDADHO CC(C)CSCCN[C@H]1CCC[C@H]1[NH3+] ZINC000423009105 387831438 /nfs/dbraw/zinc/83/14/38/387831438.db2.gz CEUZBCLYSTXSCN-MNOVXSKESA-N 1 3 216.394 1.845 20 0 BDADHO Cc1cnccc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423009338 387831813 /nfs/dbraw/zinc/83/18/13/387831813.db2.gz CSOYRVVJFJFOFA-VXGBXAGGSA-N 1 3 221.348 1.648 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCNc1ccccn1 ZINC000423009636 387833334 /nfs/dbraw/zinc/83/33/34/387833334.db2.gz WBYIAJVCMMKAHR-VXGBXAGGSA-N 1 3 234.347 1.211 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423009636 387833336 /nfs/dbraw/zinc/83/33/36/387833336.db2.gz WBYIAJVCMMKAHR-VXGBXAGGSA-N 1 3 234.347 1.211 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000423010790 387833411 /nfs/dbraw/zinc/83/34/11/387833411.db2.gz YIQCIHYQFBEVQM-JSGCOSHPSA-N 1 3 233.359 1.602 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccncc1 ZINC000423010790 387833414 /nfs/dbraw/zinc/83/34/14/387833414.db2.gz YIQCIHYQFBEVQM-JSGCOSHPSA-N 1 3 233.359 1.602 20 0 BDADHO CC(C)CSCCN[C@H](C)C1C[NH2+]C1 ZINC000423010054 387833494 /nfs/dbraw/zinc/83/34/94/387833494.db2.gz FRQZYVHOYCZTGK-SNVBAGLBSA-N 1 3 216.394 1.573 20 0 BDADHO CC(C)CSCC[NH2+][C@H](C)C1CNC1 ZINC000423010054 387833497 /nfs/dbraw/zinc/83/34/97/387833497.db2.gz FRQZYVHOYCZTGK-SNVBAGLBSA-N 1 3 216.394 1.573 20 0 BDADHO CC[C@H](CSC)N[C@H](C)C1C[NH2+]C1 ZINC000423013986 387835410 /nfs/dbraw/zinc/83/54/10/387835410.db2.gz HFQOCWSJQQWTSF-PSASIEDQSA-N 1 3 202.367 1.326 20 0 BDADHO CC[C@H](CSC)[NH2+][C@H](C)C1CNC1 ZINC000423013986 387835414 /nfs/dbraw/zinc/83/54/14/387835414.db2.gz HFQOCWSJQQWTSF-PSASIEDQSA-N 1 3 202.367 1.326 20 0 BDADHO Cc1cnccc1CC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423012553 387836166 /nfs/dbraw/zinc/83/61/66/387836166.db2.gz KWNLIQCRHOQURD-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cnccc1CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423012553 387836172 /nfs/dbraw/zinc/83/61/72/387836172.db2.gz KWNLIQCRHOQURD-SWLSCSKDSA-N 1 3 247.386 1.910 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCC1(CO)CC1 ZINC000643459330 387836436 /nfs/dbraw/zinc/83/64/36/387836436.db2.gz NZNXRPVDMCFLQH-GHMZBOCLSA-N 1 3 212.337 1.009 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423014393 387838205 /nfs/dbraw/zinc/83/82/05/387838205.db2.gz IIRNMYWAURMSNZ-DDHJBXDOSA-N 1 3 212.337 1.142 20 0 BDADHO Cc1ccsc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000423015837 387839432 /nfs/dbraw/zinc/83/94/32/387839432.db2.gz LKDSSVULQOYWQC-JTQLQIEISA-N 1 3 224.373 1.797 20 0 BDADHO Cc1ccsc1CC[NH2+][C@@H](C)C1CNC1 ZINC000423015837 387839437 /nfs/dbraw/zinc/83/94/37/387839437.db2.gz LKDSSVULQOYWQC-JTQLQIEISA-N 1 3 224.373 1.797 20 0 BDADHO C[C@@H](CO)CCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423015795 387839644 /nfs/dbraw/zinc/83/96/44/387839644.db2.gz RTIQGVUEINFNPF-JHJVBQTASA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@H](NCC1=CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019113 387841205 /nfs/dbraw/zinc/84/12/05/387841205.db2.gz UAKWZUZJHYCFJJ-KGLIPLIRSA-N 1 3 237.391 1.369 20 0 BDADHO CCC(CC)(CN[C@@H](C)C[C@@H](C)[NH3+])C(=O)OC ZINC000423030317 387845734 /nfs/dbraw/zinc/84/57/34/387845734.db2.gz BETLKNBVXCPYOP-MNOVXSKESA-N 1 3 244.379 1.681 20 0 BDADHO CCC(CC)(C[NH2+][C@@H](C)C[C@@H](C)N)C(=O)OC ZINC000423030317 387845739 /nfs/dbraw/zinc/84/57/39/387845739.db2.gz BETLKNBVXCPYOP-MNOVXSKESA-N 1 3 244.379 1.681 20 0 BDADHO CC[C@@H](Cc1cccs1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000643533403 387846681 /nfs/dbraw/zinc/84/66/81/387846681.db2.gz RCRQBCHSOYWCMQ-FTYKPCCVSA-N 1 3 236.384 1.877 20 0 BDADHO C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000423032427 387848715 /nfs/dbraw/zinc/84/87/15/387848715.db2.gz MSKFOGCTURNMKS-UMSGYPCISA-N 1 3 225.380 1.057 20 0 BDADHO CCC(O)(CC)CC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423073361 387873912 /nfs/dbraw/zinc/87/39/12/387873912.db2.gz RDWSTJCJWQXVMQ-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CCC(O)(CC)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423073361 387873915 /nfs/dbraw/zinc/87/39/15/387873915.db2.gz RDWSTJCJWQXVMQ-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CC1=CCN(CCN[C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000423032179 387849513 /nfs/dbraw/zinc/84/95/13/387849513.db2.gz DZXWABZCQJUVST-KGLIPLIRSA-N 1 3 237.391 1.226 20 0 BDADHO C[C@H](CN[C@H]1CCC[NH2+]CC1)c1ccncc1 ZINC000643460221 387874178 /nfs/dbraw/zinc/87/41/78/387874178.db2.gz CLRAPLOSYCZCHK-OCCSQVGLSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCCNCC1)c1ccncc1 ZINC000643460221 387874182 /nfs/dbraw/zinc/87/41/82/387874182.db2.gz CLRAPLOSYCZCHK-OCCSQVGLSA-N 1 3 233.359 1.917 20 0 BDADHO CC1=CCN(CCN[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000423039273 387853663 /nfs/dbraw/zinc/85/36/63/387853663.db2.gz QAKLMLZJFXKBAP-CHWSQXEVSA-N 1 3 225.380 1.354 20 0 BDADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCO1 ZINC000423043942 387855766 /nfs/dbraw/zinc/85/57/66/387855766.db2.gz QEGSGEZCKZNPCH-YIPFDTCYSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](CCO)C(C)(C)C ZINC000423041156 387856152 /nfs/dbraw/zinc/85/61/52/387856152.db2.gz WGFMUNZZNLDVIH-AXFHLTTASA-N 1 3 216.369 1.499 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000423046141 387856786 /nfs/dbraw/zinc/85/67/86/387856786.db2.gz DVMOCIBSHOGBOR-ZZVYKPCYSA-N 1 3 238.375 1.532 20 0 BDADHO C[C@@H](CN[C@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000423048775 387857831 /nfs/dbraw/zinc/85/78/31/387857831.db2.gz ITXIQYPDZKCIJF-IUCAKERBSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H]1CCCCO1 ZINC000423051014 387860517 /nfs/dbraw/zinc/86/05/17/387860517.db2.gz ZLNKGRILUBWWAU-NNYUYHANSA-N 1 3 214.353 1.659 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423051461 387860844 /nfs/dbraw/zinc/86/08/44/387860844.db2.gz NJWHGJCFGRTCMQ-YUTCNCBUSA-N 1 3 240.391 1.778 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423051461 387860846 /nfs/dbraw/zinc/86/08/46/387860846.db2.gz NJWHGJCFGRTCMQ-YUTCNCBUSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)C(F)(F)F ZINC000423056109 387861799 /nfs/dbraw/zinc/86/17/99/387861799.db2.gz XCQUYNODEVGDER-XHNCKOQMSA-N 1 3 224.270 1.772 20 0 BDADHO C[C@H](N[C@@H]1CCC[C@H]1CCO)[C@H]1CCCC[NH2+]1 ZINC000423060344 387865534 /nfs/dbraw/zinc/86/55/34/387865534.db2.gz HVOLBTJFLHMPTI-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000423059218 387865629 /nfs/dbraw/zinc/86/56/29/387865629.db2.gz FIHJZLVYPXSGDJ-RQJABVFESA-N 1 3 240.391 1.645 20 0 BDADHO CC[C@@H](CO)N[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423058259 387865908 /nfs/dbraw/zinc/86/59/08/387865908.db2.gz JBXBRAWXSMFJCA-XBFCOCLRSA-N 1 3 236.359 1.305 20 0 BDADHO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@@H]1CCCCN1 ZINC000423061975 387868056 /nfs/dbraw/zinc/86/80/56/387868056.db2.gz LXVXXQXYICLIRO-AVGNSLFASA-N 1 3 248.374 1.318 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000423066547 387869262 /nfs/dbraw/zinc/86/92/62/387869262.db2.gz XAJHJONNXFLHIG-RFGFWPKPSA-N 1 3 240.391 1.515 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423065208 387869554 /nfs/dbraw/zinc/86/95/54/387869554.db2.gz BBPXBPYSDRJTRM-GHMZBOCLSA-N 1 3 214.353 1.397 20 0 BDADHO CO[C@@H]1CC[C@@H](N[C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000423066006 387870714 /nfs/dbraw/zinc/87/07/14/387870714.db2.gz COVBNHSHWQUBHU-LPWJVIDDSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000423069037 387871988 /nfs/dbraw/zinc/87/19/88/387871988.db2.gz LIABQFNUOBZGQH-CHWFTXMASA-N 1 3 200.326 1.269 20 0 BDADHO C[C@@H](NC[C@@H]1CCCCN1C1CC1)C1C[NH2+]C1 ZINC000423069742 387872236 /nfs/dbraw/zinc/87/22/36/387872236.db2.gz BSKUBOJFAWAYJV-RISCZKNCSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)CO ZINC000422966453 387817317 /nfs/dbraw/zinc/81/73/17/387817317.db2.gz ACBVTKIODDVOTQ-SCRDCRAPSA-N 1 3 236.359 1.163 20 0 BDADHO FC(F)O[C@@H]1CCC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000423103471 387889804 /nfs/dbraw/zinc/88/98/04/387889804.db2.gz ARIKBGSYANTICY-GMTAPVOTSA-N 1 3 248.317 1.878 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CC=CCC1 ZINC000423106247 387890978 /nfs/dbraw/zinc/89/09/78/387890978.db2.gz ZLHXKHAPJRRQPY-ZIAGYGMSSA-N 1 3 237.391 1.226 20 0 BDADHO CCOC1CC(CC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423075552 387875266 /nfs/dbraw/zinc/87/52/66/387875266.db2.gz XINXIGMGFRDVIR-FKZOYECMSA-N 1 3 240.391 1.909 20 0 BDADHO COCC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423117868 387899033 /nfs/dbraw/zinc/89/90/33/387899033.db2.gz XQAGOKOXQQUJLP-FUNVUKJBSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@@H](NCCC1CC(O)C1)[C@@H]1CCCC[NH2+]1 ZINC000423075872 387876054 /nfs/dbraw/zinc/87/60/54/387876054.db2.gz POOVNXKZWNCKFK-XVSSEFHLSA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423099028 387886861 /nfs/dbraw/zinc/88/68/61/387886861.db2.gz ABHOXLUJXYFAHI-RWMBFGLXSA-N 1 3 228.380 1.229 20 0 BDADHO CC[C@H](NC[C@@H]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423116070 387898767 /nfs/dbraw/zinc/89/87/67/387898767.db2.gz ZKBFSTWKUFASRD-RFGFWPKPSA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)[C@@H]1CCCN1 ZINC000423116070 387898771 /nfs/dbraw/zinc/89/87/71/387898771.db2.gz ZKBFSTWKUFASRD-RFGFWPKPSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH2+]CC1C(C)(C)C1(C)C)C1CNC1 ZINC000423098553 387887673 /nfs/dbraw/zinc/88/76/73/387887673.db2.gz SEUKIXDDQVBSHS-VIFPVBQESA-N 1 3 210.365 1.866 20 0 BDADHO CC(C)SCCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423103234 387889170 /nfs/dbraw/zinc/88/91/70/387889170.db2.gz GAIAWYHUNKYZNW-VHSXEESVSA-N 1 3 202.367 1.597 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000423115969 387899322 /nfs/dbraw/zinc/89/93/22/387899322.db2.gz ZHBDJRLKFDUFQD-KATARQTJSA-N 1 3 202.367 1.453 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CSC[C@H]1C ZINC000423115969 387899325 /nfs/dbraw/zinc/89/93/25/387899325.db2.gz ZHBDJRLKFDUFQD-KATARQTJSA-N 1 3 202.367 1.453 20 0 BDADHO [NH3+][C@H]1CCCCC[C@@H]1N[C@H]1CCCOC1 ZINC000423118902 387900218 /nfs/dbraw/zinc/90/02/18/387900218.db2.gz CODPDARBERRPKO-SRVKXCTJSA-N 1 3 212.337 1.415 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423123832 387903219 /nfs/dbraw/zinc/90/32/19/387903219.db2.gz FIGBBCICXFGZPD-RYUDHWBXSA-N 1 3 228.380 1.637 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCC1(F)CCC1 ZINC000423127303 387904660 /nfs/dbraw/zinc/90/46/60/387904660.db2.gz PFPGKQRXDLECKQ-VHSXEESVSA-N 1 3 202.317 1.984 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCC1(F)CCC1 ZINC000423127303 387904662 /nfs/dbraw/zinc/90/46/62/387904662.db2.gz PFPGKQRXDLECKQ-VHSXEESVSA-N 1 3 202.317 1.984 20 0 BDADHO CCOCC(C)(C)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423128047 387904846 /nfs/dbraw/zinc/90/48/46/387904846.db2.gz UTPDVFHAWRUFJH-RYUDHWBXSA-N 1 3 228.380 1.637 20 0 BDADHO CC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)OC ZINC000423133824 387912344 /nfs/dbraw/zinc/91/23/44/387912344.db2.gz DDAXNKAQAWMBJM-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1CCNCC[C@H]1C)OC ZINC000423133824 387912346 /nfs/dbraw/zinc/91/23/46/387912346.db2.gz DDAXNKAQAWMBJM-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CO[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)C1CC1 ZINC000423133448 387912461 /nfs/dbraw/zinc/91/24/61/387912461.db2.gz KMNCWPMVABKWOE-WCFLWFBJSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCNCC[C@@H]1C)C1CC1 ZINC000423133448 387912463 /nfs/dbraw/zinc/91/24/63/387912463.db2.gz KMNCWPMVABKWOE-WCFLWFBJSA-N 1 3 226.364 1.389 20 0 BDADHO C[C@H](F)CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423138928 387916586 /nfs/dbraw/zinc/91/65/86/387916586.db2.gz UKLJPHNWMRVWBD-OUAUKWLOSA-N 1 3 202.317 1.712 20 0 BDADHO COc1ncccc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423141701 387917664 /nfs/dbraw/zinc/91/76/64/387917664.db2.gz RJWGSVZTFQWCLO-CHWSQXEVSA-N 1 3 249.358 1.350 20 0 BDADHO COc1ncccc1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423141701 387917667 /nfs/dbraw/zinc/91/76/67/387917667.db2.gz RJWGSVZTFQWCLO-CHWSQXEVSA-N 1 3 249.358 1.350 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424224627 387937288 /nfs/dbraw/zinc/93/72/88/387937288.db2.gz OECOGFRKFQEZKO-GXFFZTMASA-N 1 3 249.358 1.766 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000423153261 387932649 /nfs/dbraw/zinc/93/26/49/387932649.db2.gz HENHQHSDZSADFK-MCIONIFRSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1(CF)CCOCC1 ZINC000423152710 387932774 /nfs/dbraw/zinc/93/27/74/387932774.db2.gz MAUZPWYFCVICCJ-RYUDHWBXSA-N 1 3 244.354 1.340 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423155990 387933698 /nfs/dbraw/zinc/93/36/98/387933698.db2.gz KJTCLAPGLDPNNC-AGIUHOORSA-N 1 3 228.380 1.373 20 0 BDADHO Cc1cc(CN)cc(NC(=O)CCC[NH3+])c1 ZINC000424219639 387936176 /nfs/dbraw/zinc/93/61/76/387936176.db2.gz BCMJHQKHTYDKEZ-UHFFFAOYSA-N 1 3 221.304 1.131 20 0 BDADHO CCC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])OC ZINC000423144171 387921146 /nfs/dbraw/zinc/92/11/46/387921146.db2.gz GFGWTFPZTBVXAY-UMSGYPCISA-N 1 3 244.379 1.143 20 0 BDADHO Cc1ncsc1CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423148412 387925789 /nfs/dbraw/zinc/92/57/89/387925789.db2.gz FVQCVTYTCKXLNR-BDAKNGLRSA-N 1 3 227.377 1.709 20 0 BDADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCC[C@H]1O ZINC000423167036 387951825 /nfs/dbraw/zinc/95/18/25/387951825.db2.gz RUHMOQDRRYRKSS-REWJHTLYSA-N 1 3 240.391 1.800 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCc1ccc2cncn2c1 ZINC000423167897 387952709 /nfs/dbraw/zinc/95/27/09/387952709.db2.gz FZOKAXLTRYAAGE-QWRGUYRKSA-N 1 3 232.331 1.550 20 0 BDADHO CCC[C@H](N)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424222490 387937679 /nfs/dbraw/zinc/93/76/79/387937679.db2.gz JCWDUQKSKKHVDR-LBPRGKRZSA-N 1 3 235.331 1.520 20 0 BDADHO COc1cccc2c1C[C@H](N[C@H]1CCC[C@@H]1[NH3+])C2 ZINC000423170912 387956074 /nfs/dbraw/zinc/95/60/74/387956074.db2.gz NDEKUZZXBKJJLT-XBFCOCLRSA-N 1 3 246.354 1.632 20 0 BDADHO CC[C@@H](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000423160939 387940571 /nfs/dbraw/zinc/94/05/71/387940571.db2.gz RIYWSVOWDJHTJZ-YIPFDTCYSA-N 1 3 240.391 1.920 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000423159758 387941652 /nfs/dbraw/zinc/94/16/52/387941652.db2.gz GGBSONZHUJGTER-ZDEQEGDKSA-N 1 3 208.349 1.750 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCC[C@H]1O ZINC000423163115 387945272 /nfs/dbraw/zinc/94/52/72/387945272.db2.gz QTEPXAWQKDQFSW-IRCOFANPSA-N 1 3 212.337 1.007 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCC[C@@H]1CCOC1 ZINC000423163654 387946198 /nfs/dbraw/zinc/94/61/98/387946198.db2.gz RFOATUAFLMFXKC-QJPTWQEYSA-N 1 3 214.353 1.519 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000423164678 387947965 /nfs/dbraw/zinc/94/79/65/387947965.db2.gz OSOIMYLURCYHLX-MQYQWHSLSA-N 1 3 240.391 1.920 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000423164678 387947969 /nfs/dbraw/zinc/94/79/69/387947969.db2.gz OSOIMYLURCYHLX-MQYQWHSLSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCCO1 ZINC000423164565 387948909 /nfs/dbraw/zinc/94/89/09/387948909.db2.gz WXQAPKIGNZUZBM-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000423164565 387948911 /nfs/dbraw/zinc/94/89/11/387948911.db2.gz WXQAPKIGNZUZBM-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO COCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCCC1 ZINC000423166183 387949691 /nfs/dbraw/zinc/94/96/91/387949691.db2.gz QUVRZTLDGUOGBF-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CC[C@H](C)O1 ZINC000423166165 387950079 /nfs/dbraw/zinc/95/00/79/387950079.db2.gz QTLQKQVXHIDEJV-NAKRPEOUSA-N 1 3 200.326 1.269 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000423166232 387950902 /nfs/dbraw/zinc/95/09/02/387950902.db2.gz QZIISFOYKGVMDD-WHOHXGKFSA-N 1 3 214.353 1.658 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2CN)nc1 ZINC000423165822 387950955 /nfs/dbraw/zinc/95/09/55/387950955.db2.gz QJWHLHVADGFVIW-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1ccc(CCN[C@@H]2CCC[C@H]2C[NH3+])nc1 ZINC000423165822 387950956 /nfs/dbraw/zinc/95/09/56/387950956.db2.gz QJWHLHVADGFVIW-GXTWGEPZSA-N 1 3 233.359 1.650 20 0 BDADHO C[C@@H](CCC[NH3+])[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000423172749 387959683 /nfs/dbraw/zinc/95/96/83/387959683.db2.gz UZBWAODQTBXXEJ-VIFPVBQESA-N 1 3 239.367 1.319 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1nnc(C(C)(C)C)[nH]1 ZINC000423172749 387959684 /nfs/dbraw/zinc/95/96/84/387959684.db2.gz UZBWAODQTBXXEJ-VIFPVBQESA-N 1 3 239.367 1.319 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423172371 387960030 /nfs/dbraw/zinc/96/00/30/387960030.db2.gz SMOBSKQHIRILRP-XQQFMLRXSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CS[C@H](C)C1 ZINC000423179718 387965330 /nfs/dbraw/zinc/96/53/30/387965330.db2.gz JVCLDKRTELVFPO-QEYWKRMJSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CS[C@@H](C)C1 ZINC000423179716 387966348 /nfs/dbraw/zinc/96/63/48/387966348.db2.gz JVCLDKRTELVFPO-AATLWQCWSA-N 1 3 202.367 1.596 20 0 BDADHO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCN)cc1 ZINC000423183062 387967647 /nfs/dbraw/zinc/96/76/47/387967647.db2.gz KYVKGAYPRRYIOL-LLVKDONJSA-N 1 3 244.342 1.790 20 0 BDADHO NCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423197447 387981172 /nfs/dbraw/zinc/98/11/72/387981172.db2.gz ZMAJTZPXRKGWPD-YNEHKIRRSA-N 1 3 226.364 1.520 20 0 BDADHO CN(CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCOC1 ZINC000245697964 387973413 /nfs/dbraw/zinc/97/34/13/387973413.db2.gz XDQHLDHDYZSLRV-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CN(CC[C@H]1CCC[N@H+]1C)C[C@H]1CCOC1 ZINC000245697964 387973416 /nfs/dbraw/zinc/97/34/16/387973416.db2.gz XDQHLDHDYZSLRV-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@H](NC[C@@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000423188860 387974692 /nfs/dbraw/zinc/97/46/92/387974692.db2.gz QRIQWRFYRWXHDV-DGTMBMJNSA-N 1 3 240.391 1.920 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CCCN1 ZINC000423188860 387974698 /nfs/dbraw/zinc/97/46/98/387974698.db2.gz QRIQWRFYRWXHDV-DGTMBMJNSA-N 1 3 240.391 1.920 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000423192314 387977520 /nfs/dbraw/zinc/97/75/20/387977520.db2.gz ULXTXPUJQBAINX-SVNGYHJRSA-N 1 3 214.353 1.515 20 0 BDADHO C[NH2+]CCCN[C@H](Cn1cccn1)C(C)C ZINC000423202271 387988421 /nfs/dbraw/zinc/98/84/21/387988421.db2.gz QNVBAJVLNLVNNN-GFCCVEGCSA-N 1 3 224.352 1.107 20 0 BDADHO CNCCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423202271 387988425 /nfs/dbraw/zinc/98/84/25/387988425.db2.gz QNVBAJVLNLVNNN-GFCCVEGCSA-N 1 3 224.352 1.107 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1C ZINC000424376493 387998404 /nfs/dbraw/zinc/99/84/04/387998404.db2.gz PKGURUYHTJNCMX-WUHRBBMRSA-N 1 3 225.380 1.329 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCNC1 ZINC000423216599 388000017 /nfs/dbraw/zinc/00/00/17/388000017.db2.gz RWTGPVVEYPTMTG-RDBSUJKOSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423223175 388004492 /nfs/dbraw/zinc/00/44/92/388004492.db2.gz FDXITHQVQZZEPR-XDQVBPFNSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](N)CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423226414 388008793 /nfs/dbraw/zinc/00/87/93/388008793.db2.gz QPZRDRRWOQUKMS-IRCOFANPSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H]([NH3+])CCN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000423226414 388008796 /nfs/dbraw/zinc/00/87/96/388008796.db2.gz QPZRDRRWOQUKMS-IRCOFANPSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@H](NC[C@H](N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423241589 388023847 /nfs/dbraw/zinc/02/38/47/388023847.db2.gz DHXWAKYHQVPOKZ-UBHSHLNASA-N 1 3 233.359 1.417 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C[C@@H](N)c1ccccc1 ZINC000423232315 388017308 /nfs/dbraw/zinc/01/73/08/388017308.db2.gz BWNKOHWGOWEWIM-BPLDGKMQSA-N 1 3 247.386 1.616 20 0 BDADHO C[C@H](NCC[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423252010 388032955 /nfs/dbraw/zinc/03/29/55/388032955.db2.gz SUKJAYYKTUDFQU-WDEREUQCSA-N 1 3 208.305 1.930 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423251028 388033545 /nfs/dbraw/zinc/03/35/45/388033545.db2.gz VJGGAJAHOUCUHU-BFHYXJOUSA-N 1 3 240.391 1.781 20 0 BDADHO N[C@@H](CN[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000423254582 388035528 /nfs/dbraw/zinc/03/55/28/388035528.db2.gz YOWGDDSIFNXSKR-IHRRRGAJSA-N 1 3 233.359 1.403 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CNC ZINC000423255526 388037390 /nfs/dbraw/zinc/03/73/90/388037390.db2.gz AHNYZVDOVKNEPG-AVGNSLFASA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@@H](N[C@@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261987 388039805 /nfs/dbraw/zinc/03/98/05/388039805.db2.gz LGTRLADKUQYDBB-VXGBXAGGSA-N 1 3 214.353 1.374 20 0 BDADHO COC[C@H](N[C@@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261984 388039844 /nfs/dbraw/zinc/03/98/44/388039844.db2.gz LGTRLADKUQYDBB-NEPJUHHUSA-N 1 3 214.353 1.374 20 0 BDADHO COC[C@@H](N[C@H](C[NH3+])CC(C)C)C1CC1 ZINC000423261985 388040289 /nfs/dbraw/zinc/04/02/89/388040289.db2.gz LGTRLADKUQYDBB-NWDGAFQWSA-N 1 3 214.353 1.374 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)[C@H]1CCOC1 ZINC000423245033 388028724 /nfs/dbraw/zinc/02/87/24/388028724.db2.gz YAROSUBSCYKAJP-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO C[NH2+]CCN[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423246583 388029549 /nfs/dbraw/zinc/02/95/49/388029549.db2.gz NZXRWDFDARJOPK-RWMBFGLXSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000083683314 388058866 /nfs/dbraw/zinc/05/88/66/388058866.db2.gz MMJPWRUCOVCUFQ-AEGPPILISA-N 1 3 230.355 1.941 20 0 BDADHO CCC([NH3+])(CC)CN[C@H](C)[C@@H](C)OC ZINC000423282215 388063581 /nfs/dbraw/zinc/06/35/81/388063581.db2.gz CLFXMKJIZFPLCG-NXEZZACHSA-N 1 3 202.342 1.517 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H](C)[C@@H](C)OC ZINC000423282215 388063582 /nfs/dbraw/zinc/06/35/82/388063582.db2.gz CLFXMKJIZFPLCG-NXEZZACHSA-N 1 3 202.342 1.517 20 0 BDADHO CCO[C@@H]1C[C@@H](NC[C@@H](C)C[NH2+]C)C12CCC2 ZINC000423285041 388069815 /nfs/dbraw/zinc/06/98/15/388069815.db2.gz ZFADSKDUEDFEEO-YNEHKIRRSA-N 1 3 240.391 1.779 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423287490 388071023 /nfs/dbraw/zinc/07/10/23/388071023.db2.gz MPSZHEIWGAYNHG-WCQYABFASA-N 1 3 239.407 1.576 20 0 BDADHO CCC([NH3+])(CC)CN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423287490 388071027 /nfs/dbraw/zinc/07/10/27/388071027.db2.gz MPSZHEIWGAYNHG-WCQYABFASA-N 1 3 239.407 1.576 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423287488 388072111 /nfs/dbraw/zinc/07/21/11/388072111.db2.gz MPSZHEIWGAYNHG-AAEUAGOBSA-N 1 3 239.407 1.576 20 0 BDADHO CCC([NH3+])(CC)CN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000423287488 388072112 /nfs/dbraw/zinc/07/21/12/388072112.db2.gz MPSZHEIWGAYNHG-AAEUAGOBSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC(C)(C)N ZINC000423288640 388072723 /nfs/dbraw/zinc/07/27/23/388072723.db2.gz UBJPOOQXOOUBSJ-NSHDSACASA-N 1 3 249.358 1.731 20 0 BDADHO CC(C)([NH3+])CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423289321 388074655 /nfs/dbraw/zinc/07/46/55/388074655.db2.gz WTQBLWRGYPYSTG-GRYCIOLGSA-N 1 3 238.375 1.661 20 0 BDADHO CCC(N)(CC)C[NH2+][C@H](COC)C(C)C ZINC000423289726 388074845 /nfs/dbraw/zinc/07/48/45/388074845.db2.gz XWXPUMYOBUNEGR-LLVKDONJSA-N 1 3 216.369 1.765 20 0 BDADHO CCC([NH3+])(CC)CN[C@H](COC)C(C)C ZINC000423289726 388074849 /nfs/dbraw/zinc/07/48/49/388074849.db2.gz XWXPUMYOBUNEGR-LLVKDONJSA-N 1 3 216.369 1.765 20 0 BDADHO CCC(N)(CC)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000423291390 388075823 /nfs/dbraw/zinc/07/58/23/388075823.db2.gz ICRMPNPMWLPBRR-HBNTYKKESA-N 1 3 214.353 1.659 20 0 BDADHO COc1cccc2c1CC[C@H]2NC[C@H](C)C[NH3+] ZINC000423297299 388078976 /nfs/dbraw/zinc/07/89/76/388078976.db2.gz JRKCQDAVKVCULF-ZWNOBZJWSA-N 1 3 234.343 1.867 20 0 BDADHO Cn1nccc1CNCCCC[N@H+](C)C1CC1 ZINC000453602558 388090962 /nfs/dbraw/zinc/09/09/62/388090962.db2.gz WVBMRJGVQKTMDA-UHFFFAOYSA-N 1 3 236.363 1.384 20 0 BDADHO Cn1nccc1CNCCCC[N@@H+](C)C1CC1 ZINC000453602558 388090964 /nfs/dbraw/zinc/09/09/64/388090964.db2.gz WVBMRJGVQKTMDA-UHFFFAOYSA-N 1 3 236.363 1.384 20 0 BDADHO CNC[C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267477 388046088 /nfs/dbraw/zinc/04/60/88/388046088.db2.gz FEMNKDLDPNNREA-QNWHQSFQSA-N 1 3 238.375 1.389 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423267477 388046092 /nfs/dbraw/zinc/04/60/92/388046092.db2.gz FEMNKDLDPNNREA-QNWHQSFQSA-N 1 3 238.375 1.389 20 0 BDADHO CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250354309 388174688 /nfs/dbraw/zinc/17/46/88/388174688.db2.gz BHQASQCQSITTFV-QWRGUYRKSA-N 1 3 214.378 1.423 20 0 BDADHO C[N@H+](C[C@H]1CCCNC1)[C@H]1CCSC1 ZINC000250354309 388174689 /nfs/dbraw/zinc/17/46/89/388174689.db2.gz BHQASQCQSITTFV-QWRGUYRKSA-N 1 3 214.378 1.423 20 0 BDADHO C[N@@H+](C[C@H]1CCCNC1)[C@H]1CCSC1 ZINC000250354309 388174690 /nfs/dbraw/zinc/17/46/90/388174690.db2.gz BHQASQCQSITTFV-QWRGUYRKSA-N 1 3 214.378 1.423 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)NC2CC2)cc1 ZINC000449129239 388145987 /nfs/dbraw/zinc/14/59/87/388145987.db2.gz URFZSJYFJCJKIA-NXEZZACHSA-N 1 3 247.342 1.785 20 0 BDADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000449569337 388235341 /nfs/dbraw/zinc/23/53/41/388235341.db2.gz BEBNIGLPCXUSRY-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC000449605708 388240405 /nfs/dbraw/zinc/24/04/05/388240405.db2.gz WZRIGPWVFMTVSW-GHMZBOCLSA-N 1 3 249.358 1.214 20 0 BDADHO CCCC[C@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449622165 388244464 /nfs/dbraw/zinc/24/44/64/388244464.db2.gz CSLVEJPFPQNQSU-ZDUSSCGKSA-N 1 3 249.358 1.862 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449631360 388246226 /nfs/dbraw/zinc/24/62/26/388246226.db2.gz KNUCGNPVKAUGGD-MDZLAQPJSA-N 1 3 241.379 1.138 20 0 BDADHO CC[NH+](CC)CCCN(C)[C@@H](C)C(C)(C)O ZINC000451364577 388264828 /nfs/dbraw/zinc/26/48/28/388264828.db2.gz CYLWOOHJPYEFDE-LBPRGKRZSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@@H](C)C(C)(C)O ZINC000451364577 388264830 /nfs/dbraw/zinc/26/48/30/388264830.db2.gz CYLWOOHJPYEFDE-LBPRGKRZSA-N 1 3 230.396 1.810 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000451364577 388264832 /nfs/dbraw/zinc/26/48/32/388264832.db2.gz CYLWOOHJPYEFDE-LBPRGKRZSA-N 1 3 230.396 1.810 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000233764498 388348721 /nfs/dbraw/zinc/34/87/21/388348721.db2.gz JUEMYVUTQZZUES-GUBZILKMSA-N 1 3 200.326 1.127 20 0 BDADHO C[C@@H]1C[C@@H](NCCOC(C)(C)C)CC[N@@H+]1C ZINC000163719577 388366697 /nfs/dbraw/zinc/36/66/97/388366697.db2.gz HIAMMBXPBMBMSD-NEPJUHHUSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H]1C[C@@H](NCCOC(C)(C)C)CC[N@H+]1C ZINC000163719577 388366699 /nfs/dbraw/zinc/36/66/99/388366699.db2.gz HIAMMBXPBMBMSD-NEPJUHHUSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@@H](CO)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500949 388367984 /nfs/dbraw/zinc/36/79/84/388367984.db2.gz LLWSBTZKBUWYNG-SRVKXCTJSA-N 1 3 214.353 1.268 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCCN1C(C)C ZINC000572760947 388374107 /nfs/dbraw/zinc/37/41/07/388374107.db2.gz KMEVKWBCBXRJOK-RYUDHWBXSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236763456 388382394 /nfs/dbraw/zinc/38/23/94/388382394.db2.gz RPXOWALFSQICFL-WOPDTQHZSA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000393374030 388383841 /nfs/dbraw/zinc/38/38/41/388383841.db2.gz IZVMSUUCAJLOKS-QWHCGFSZSA-N 1 3 242.407 1.892 20 0 BDADHO N[C@@H](CC(F)F)C(=O)Nc1cccc(C[NH3+])c1 ZINC000646578704 388388404 /nfs/dbraw/zinc/38/84/04/388388404.db2.gz BIMIZWQWZBUZNZ-VIFPVBQESA-N 1 3 243.257 1.066 20 0 BDADHO FC1(F)CC[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854766 388398645 /nfs/dbraw/zinc/39/86/45/388398645.db2.gz KBDMWJWNVKUEOE-GARJFASQSA-N 1 3 230.302 1.573 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393903055 388445780 /nfs/dbraw/zinc/44/57/80/388445780.db2.gz ITHHUOWOUMUFOI-KJPMQGKISA-N 1 3 232.318 1.958 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1N[C@H]1C[C@@H]1C(F)F ZINC000393903055 388445783 /nfs/dbraw/zinc/44/57/83/388445783.db2.gz ITHHUOWOUMUFOI-KJPMQGKISA-N 1 3 232.318 1.958 20 0 BDADHO CC(C)[C@@](C)(O)C[NH2+][C@H]1CCCNCC1 ZINC000261538934 135176896 /nfs/dbraw/zinc/17/68/96/135176896.db2.gz ZVZODYJYCKYJOZ-RYUDHWBXSA-N 1 3 214.353 1.125 20 0 BDADHO CC(C)[C@@](C)(O)CN[C@H]1CCC[NH2+]CC1 ZINC000261538934 135176897 /nfs/dbraw/zinc/17/68/97/135176897.db2.gz ZVZODYJYCKYJOZ-RYUDHWBXSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000339075575 388479702 /nfs/dbraw/zinc/47/97/02/388479702.db2.gz PKHIRWCOAYHIIC-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOC1 ZINC000339075575 388479704 /nfs/dbraw/zinc/47/97/04/388479704.db2.gz PKHIRWCOAYHIIC-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCN3CCC[C@H]3C2)CCOC1 ZINC000339075575 388479705 /nfs/dbraw/zinc/47/97/05/388479705.db2.gz PKHIRWCOAYHIIC-HZSPNIEDSA-N 1 3 238.375 1.629 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522305 388432527 /nfs/dbraw/zinc/43/25/27/388432527.db2.gz QGSOOUUZVCNUDB-RCWTZXSCSA-N 1 3 232.318 1.960 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@H]2C[C@@H]2C(F)F)[C@H](C)C1 ZINC000393522305 388432529 /nfs/dbraw/zinc/43/25/29/388432529.db2.gz QGSOOUUZVCNUDB-RCWTZXSCSA-N 1 3 232.318 1.960 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CC[C@@H]1CCOC1 ZINC000339409390 388482840 /nfs/dbraw/zinc/48/28/40/388482840.db2.gz LZIWAJMCJBPEEM-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CCC[NH+]1CCC(NCC2=CCOCC2)CC1 ZINC000397837598 388504640 /nfs/dbraw/zinc/50/46/40/388504640.db2.gz NGPYJELQHHDEIE-UHFFFAOYSA-N 1 3 238.375 1.797 20 0 BDADHO CSC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000517127826 256815755 /nfs/dbraw/zinc/81/57/55/256815755.db2.gz PIEGYJCWUBBEPD-SDDRHHMPSA-N 1 3 246.420 1.173 20 0 BDADHO CSC[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000517127826 256815756 /nfs/dbraw/zinc/81/57/56/256815756.db2.gz PIEGYJCWUBBEPD-SDDRHHMPSA-N 1 3 246.420 1.173 20 0 BDADHO CCCCN(C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000649312806 388600340 /nfs/dbraw/zinc/60/03/40/388600340.db2.gz XWVKSGYSJKGPDZ-UHFFFAOYSA-N 1 3 243.395 1.352 20 0 BDADHO CC[C@H](O)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358173428 388555150 /nfs/dbraw/zinc/55/51/50/388555150.db2.gz UZRALGLTAWINLP-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@H](O)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358173428 388555152 /nfs/dbraw/zinc/55/51/52/388555152.db2.gz UZRALGLTAWINLP-MCIONIFRSA-N 1 3 240.391 1.754 20 0 BDADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)C(F)F ZINC000520878340 388557764 /nfs/dbraw/zinc/55/77/64/388557764.db2.gz VVLIUSPRXBZMAL-LLVKDONJSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)N(C)C1CC1 ZINC000361183621 388559809 /nfs/dbraw/zinc/55/98/09/388559809.db2.gz ZGMDOTDAWXQROL-MBNYWOFBSA-N 1 3 239.407 1.399 20 0 BDADHO COC[C@@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000247690087 388668328 /nfs/dbraw/zinc/66/83/28/388668328.db2.gz VTMUJJHESIKAFA-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO COC[C@@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247690087 388668332 /nfs/dbraw/zinc/66/83/32/388668332.db2.gz VTMUJJHESIKAFA-NEPJUHHUSA-N 1 3 214.353 1.295 20 0 BDADHO CO[C@H](C)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000248421416 388679178 /nfs/dbraw/zinc/67/91/78/388679178.db2.gz MGQNXKAREBZZKD-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO CO[C@H](C)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000248421416 388679181 /nfs/dbraw/zinc/67/91/81/388679181.db2.gz MGQNXKAREBZZKD-CHWSQXEVSA-N 1 3 228.380 1.828 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530178815 388621336 /nfs/dbraw/zinc/62/13/36/388621336.db2.gz OBCCBQVVVNSLAT-MRVWCRGKSA-N 1 3 249.402 1.343 20 0 BDADHO C[C@@H](C[NH2+]C1CCNCC1)c1ccncc1 ZINC000530222581 388633170 /nfs/dbraw/zinc/63/31/70/388633170.db2.gz RPXKZNATGZRKEG-NSHDSACASA-N 1 3 219.332 1.527 20 0 BDADHO C[C@@H](CNC1CC[NH2+]CC1)c1ccncc1 ZINC000530222581 388633171 /nfs/dbraw/zinc/63/31/71/388633171.db2.gz RPXKZNATGZRKEG-NSHDSACASA-N 1 3 219.332 1.527 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](CC)COC)C1 ZINC000247017792 388657578 /nfs/dbraw/zinc/65/75/78/388657578.db2.gz LPHFMGBGUXOLAQ-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)COC)C1 ZINC000247017792 388657580 /nfs/dbraw/zinc/65/75/80/388657580.db2.gz LPHFMGBGUXOLAQ-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@H](CC)COC)C1 ZINC000247017792 388657583 /nfs/dbraw/zinc/65/75/83/388657583.db2.gz LPHFMGBGUXOLAQ-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO C[NH+](C)C[C@H]1CCN([C@@H]2C=CCCC2)C1 ZINC000247213710 388660499 /nfs/dbraw/zinc/66/04/99/388660499.db2.gz MAVGQAZEPRSWMW-CHWSQXEVSA-N 1 3 208.349 1.979 20 0 BDADHO CO[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)CC[C@@H]1C ZINC000251795812 388753602 /nfs/dbraw/zinc/75/36/02/388753602.db2.gz MBPUVDPJNCNBIO-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[C@@H]1C ZINC000251795812 388753606 /nfs/dbraw/zinc/75/36/06/388753606.db2.gz MBPUVDPJNCNBIO-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000249072748 388706808 /nfs/dbraw/zinc/70/68/08/388706808.db2.gz QPPZVSCGZFRGRE-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000249072748 388706810 /nfs/dbraw/zinc/70/68/10/388706810.db2.gz QPPZVSCGZFRGRE-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO C[NH+](C)C[C@@H]1CCN(CC[C@H]2CCCO2)C1 ZINC000249289082 388715396 /nfs/dbraw/zinc/71/53/96/388715396.db2.gz MCBKVEJMAGFNAQ-QWHCGFSZSA-N 1 3 226.364 1.439 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC000127480787 388724506 /nfs/dbraw/zinc/72/45/06/388724506.db2.gz NUXPMRKTGBOCEM-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](CC)N(C)C ZINC000127480787 388724510 /nfs/dbraw/zinc/72/45/10/388724510.db2.gz NUXPMRKTGBOCEM-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229966951 388806077 /nfs/dbraw/zinc/80/60/77/388806077.db2.gz VTIFRUBFSBJSOY-QNWHQSFQSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC(C)(C)N(C)C ZINC000252710300 388773917 /nfs/dbraw/zinc/77/39/17/388773917.db2.gz GGPOPSWOPDXTKN-NWDGAFQWSA-N 1 3 227.396 1.256 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCN(C)C)CCN1C ZINC000129553269 388851886 /nfs/dbraw/zinc/85/18/86/388851886.db2.gz XSCJRQGGNYXKLC-VXGBXAGGSA-N 1 3 213.369 1.010 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)C2(N)CCC2)c1 ZINC000564946989 388900323 /nfs/dbraw/zinc/90/03/23/388900323.db2.gz FBXIRUOCLCKMGS-UHFFFAOYSA-N 1 3 233.315 1.226 20 0 BDADHO Cn1ccc(CNCCC[NH+]2CCC2)c1 ZINC000565218072 388927249 /nfs/dbraw/zinc/92/72/49/388927249.db2.gz WDISOCHQHNOMEE-UHFFFAOYSA-N 1 3 207.321 1.211 20 0 BDADHO CCC[C@H](C)C[NH+](CCN(C)C)CCN(C)C ZINC000565508301 388950239 /nfs/dbraw/zinc/95/02/39/388950239.db2.gz POXHOTFPOUCBAI-AWEZNQCLSA-N 1 3 243.439 1.848 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCNc2ccccn2)C1 ZINC000565843429 388973579 /nfs/dbraw/zinc/97/35/79/388973579.db2.gz NTNYDCSNKZMIEW-NEPJUHHUSA-N 1 3 234.347 1.353 20 0 BDADHO CCNCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000566004138 388982649 /nfs/dbraw/zinc/98/26/49/388982649.db2.gz WNYQZSYZZCUVIS-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO CC[NH2+]CCCN[C@H]1CCO[C@H](C(C)C)C1 ZINC000566004138 388982652 /nfs/dbraw/zinc/98/26/52/388982652.db2.gz WNYQZSYZZCUVIS-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO C[N@H+]1CC=C(CNCc2cccnc2)CC1 ZINC000271824142 389026713 /nfs/dbraw/zinc/02/67/13/389026713.db2.gz DBBQNGQDNRKLKA-UHFFFAOYSA-N 1 3 217.316 1.433 20 0 BDADHO C[N@@H+]1CC=C(CNCc2cccnc2)CC1 ZINC000271824142 389026719 /nfs/dbraw/zinc/02/67/19/389026719.db2.gz DBBQNGQDNRKLKA-UHFFFAOYSA-N 1 3 217.316 1.433 20 0 BDADHO C[C@@H](NCCN1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000400720067 533394629 /nfs/dbraw/zinc/39/46/29/533394629.db2.gz OGDBREQXZZXCSF-OLZOCXBDSA-N 1 3 225.380 1.202 20 0 BDADHO Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)cc[nH+]1 ZINC000292909366 132219271 /nfs/dbraw/zinc/21/92/71/132219271.db2.gz XICWKKGEBTXAEF-TXEJJXNPSA-N 1 3 219.332 1.919 20 0 BDADHO CC[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960344 132343128 /nfs/dbraw/zinc/34/31/28/132343128.db2.gz WLXKMTXACMMUOK-GFCCVEGCSA-N 1 3 249.358 1.411 20 0 BDADHO C[C@]1(CN[C@@H]2CCC[NH2+]CC2)CCCO1 ZINC000168771223 134247688 /nfs/dbraw/zinc/24/76/88/134247688.db2.gz LPPUDGLYOBDEQU-VXGBXAGGSA-N 1 3 212.337 1.287 20 0 BDADHO C[C@]1(C[NH2+][C@@H]2CCCNCC2)CCCO1 ZINC000168771223 134247689 /nfs/dbraw/zinc/24/76/89/134247689.db2.gz LPPUDGLYOBDEQU-VXGBXAGGSA-N 1 3 212.337 1.287 20 0 BDADHO Cc1ccc(CN[C@@H](C)CC[NH3+])cc1F ZINC000220523386 134309611 /nfs/dbraw/zinc/30/96/11/134309611.db2.gz QMRBKRKWKZXHGP-JTQLQIEISA-N 1 3 210.296 1.961 20 0 BDADHO C[C@H]1COC[C@H](C)N1CC1CC[NH2+]CC1 ZINC000178974770 134313867 /nfs/dbraw/zinc/31/38/67/134313867.db2.gz IEBGETRPCQVODL-QWRGUYRKSA-N 1 3 212.337 1.095 20 0 BDADHO COC1CC([NH2+]CCCN2CCC(C)CC2)C1 ZINC000220829055 134316038 /nfs/dbraw/zinc/31/60/38/134316038.db2.gz FBFDJRBGXYPUNO-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO COC1CC(NCCC[NH+]2CCC(C)CC2)C1 ZINC000220829055 134316039 /nfs/dbraw/zinc/31/60/39/134316039.db2.gz FBFDJRBGXYPUNO-UHFFFAOYSA-N 1 3 240.391 1.875 20 0 BDADHO CO[C@@H](C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182192177 134342316 /nfs/dbraw/zinc/34/23/16/134342316.db2.gz UCXHGHSCVIZLOD-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CO[C@@H](C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000182192177 134342317 /nfs/dbraw/zinc/34/23/17/134342317.db2.gz UCXHGHSCVIZLOD-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248987378 135029554 /nfs/dbraw/zinc/02/95/54/135029554.db2.gz XBAZIKGNRDDGIH-RDBSUJKOSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000248987378 135029557 /nfs/dbraw/zinc/02/95/57/135029557.db2.gz XBAZIKGNRDDGIH-RDBSUJKOSA-N 1 3 240.391 1.828 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456038 135055183 /nfs/dbraw/zinc/05/51/83/135055183.db2.gz IKABRSCPQHLURP-RDBSUJKOSA-N 1 3 238.375 1.628 20 0 BDADHO COC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000250456038 135055185 /nfs/dbraw/zinc/05/51/85/135055185.db2.gz IKABRSCPQHLURP-RDBSUJKOSA-N 1 3 238.375 1.628 20 0 BDADHO CCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000238850438 135078590 /nfs/dbraw/zinc/07/85/90/135078590.db2.gz BOMXMNITEGNHQL-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO CCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000238850438 135078592 /nfs/dbraw/zinc/07/85/92/135078592.db2.gz BOMXMNITEGNHQL-IJLUTSLNSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1c2ccsc2CCN1CCOCC[NH3+] ZINC000086435566 135084133 /nfs/dbraw/zinc/08/41/33/135084133.db2.gz MEDRGRRPUUAQLI-SNVBAGLBSA-N 1 3 240.372 1.643 20 0 BDADHO Cc1ccc(CN(C)CCOCC[NH3+])cc1 ZINC000086435364 135084739 /nfs/dbraw/zinc/08/47/39/135084739.db2.gz XSUXVZXIONLUKH-UHFFFAOYSA-N 1 3 222.332 1.402 20 0 BDADHO CC[C@H](CO)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500772 135087506 /nfs/dbraw/zinc/08/75/06/135087506.db2.gz QTRHBJHFRCLFQJ-UPJWGTAASA-N 1 3 228.380 1.658 20 0 BDADHO CCOCCN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000086500997 135087629 /nfs/dbraw/zinc/08/76/29/135087629.db2.gz KKRXMIXOWUASTG-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO COCCCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251888205 135094249 /nfs/dbraw/zinc/09/42/49/135094249.db2.gz VICKWRAWTYSDCB-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000252768518 135108102 /nfs/dbraw/zinc/10/81/02/135108102.db2.gz RWLBRHLFSADBKK-YFKTTZPYSA-N 1 3 214.353 1.253 20 0 BDADHO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000258811939 135134582 /nfs/dbraw/zinc/13/45/82/135134582.db2.gz CPAAMCHTHUNDIQ-QWHCGFSZSA-N 1 3 204.317 1.964 20 0 BDADHO CC(C)SCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000261527405 135151892 /nfs/dbraw/zinc/15/18/92/135151892.db2.gz AUCNTZVSKBYIFJ-MNOVXSKESA-N 1 3 216.394 1.845 20 0 BDADHO COCC(C)(C)CN1CCC([NH3+])CC1 ZINC000261529748 135156309 /nfs/dbraw/zinc/15/63/09/135156309.db2.gz UZJGODHIFMEMSU-UHFFFAOYSA-N 1 3 200.326 1.082 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)C1(C)C ZINC000261532967 135164036 /nfs/dbraw/zinc/16/40/36/135164036.db2.gz DZUIBLWIQLLHOE-SDDRHHMPSA-N 1 3 226.364 1.532 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCNCC2)C1(C)C ZINC000261532967 135164037 /nfs/dbraw/zinc/16/40/37/135164037.db2.gz DZUIBLWIQLLHOE-SDDRHHMPSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)COCC[N@@H+]1CCC[C@@H](C)[C@H]1CN ZINC000261534096 135166083 /nfs/dbraw/zinc/16/60/83/135166083.db2.gz MZEBVXMZNIOXST-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)COCC[N@H+]1CCC[C@@H](C)[C@H]1CN ZINC000261534096 135166084 /nfs/dbraw/zinc/16/60/84/135166084.db2.gz MZEBVXMZNIOXST-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CC1(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000261534694 135167527 /nfs/dbraw/zinc/16/75/27/135167527.db2.gz MXSSEKWTNDCVIZ-VXGBXAGGSA-N 1 3 208.349 1.860 20 0 BDADHO COC[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261535248 135169689 /nfs/dbraw/zinc/16/96/89/135169689.db2.gz XGIVGZHYCHZQTP-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CCN(CCN[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000261535250 135169898 /nfs/dbraw/zinc/16/98/98/135169898.db2.gz XGKPLESKBAKPOU-AAEUAGOBSA-N 1 3 225.380 1.188 20 0 BDADHO COc1cccc(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000261535865 135170460 /nfs/dbraw/zinc/17/04/60/135170460.db2.gz PMLPSDMUCDYHGL-UWVGGRQHSA-N 1 3 208.305 1.521 20 0 BDADHO C[C@@H]1CCSCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261544522 135186241 /nfs/dbraw/zinc/18/62/41/135186241.db2.gz IYRKAOYZBPUQBP-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO CCC1(C[N@@H+]2CC[C@@H](CNC)C2)CCOCC1 ZINC000261552281 135190994 /nfs/dbraw/zinc/19/09/94/135190994.db2.gz MVTZNLHRQVTHEL-ZDUSSCGKSA-N 1 3 240.391 1.735 20 0 BDADHO CCC1(C[N@H+]2CC[C@@H](CNC)C2)CCOCC1 ZINC000261552281 135190995 /nfs/dbraw/zinc/19/09/95/135190995.db2.gz MVTZNLHRQVTHEL-ZDUSSCGKSA-N 1 3 240.391 1.735 20 0 BDADHO CC(C)CCOCCN[C@H]1CCC[C@H]1C[NH3+] ZINC000084221196 135193333 /nfs/dbraw/zinc/19/33/33/135193333.db2.gz DNFFLKNMIQHJKZ-STQMWFEESA-N 1 3 228.380 1.766 20 0 BDADHO CC(C)CCOCC[NH2+][C@H]1CCC[C@H]1CN ZINC000084221196 135193335 /nfs/dbraw/zinc/19/33/35/135193335.db2.gz DNFFLKNMIQHJKZ-STQMWFEESA-N 1 3 228.380 1.766 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000261564139 135205882 /nfs/dbraw/zinc/20/58/82/135205882.db2.gz XNCGGGYEBSGQIF-RQJABVFESA-N 1 3 240.391 1.645 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NCCOCC1CC1 ZINC000261567548 135209839 /nfs/dbraw/zinc/20/98/39/135209839.db2.gz DZEVXZATWWZFSN-LBPRGKRZSA-N 1 3 214.353 1.376 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000261568429 135210743 /nfs/dbraw/zinc/21/07/43/135210743.db2.gz FPHHKUPJVOQIHW-RWMBFGLXSA-N 1 3 226.364 1.663 20 0 BDADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1cn[nH]c1 ZINC000261573840 135216046 /nfs/dbraw/zinc/21/60/46/135216046.db2.gz IZYMRRLVZRNZIU-NHCYSSNCSA-N 1 3 222.336 1.578 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000084384445 135218189 /nfs/dbraw/zinc/21/81/89/135218189.db2.gz WJPBEEFZFZURDJ-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO COCc1cccc(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000261585096 135226077 /nfs/dbraw/zinc/22/60/77/135226077.db2.gz QDQCCKYEPQDKAM-MNOVXSKESA-N 1 3 222.332 1.658 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000261592023 135232765 /nfs/dbraw/zinc/23/27/65/135232765.db2.gz VRJOJFSEFVCFKC-CHWSQXEVSA-N 1 3 226.364 1.520 20 0 BDADHO CC1(C)CNCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000261593582 135234530 /nfs/dbraw/zinc/23/45/30/135234530.db2.gz WYHCBKHEUUYBEP-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@@]1(CN)CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000261596169 135235628 /nfs/dbraw/zinc/23/56/28/135235628.db2.gz YOVHKFXWZPGIFH-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000261596169 135235629 /nfs/dbraw/zinc/23/56/29/135235629.db2.gz YOVHKFXWZPGIFH-NEPJUHHUSA-N 1 3 212.337 1.084 20 0 BDADHO CCC[N@H+](C[C@H](C)N)C[C@H]1CCCCO1 ZINC000261597451 135236638 /nfs/dbraw/zinc/23/66/38/135236638.db2.gz ZBOFNCOLHONRMP-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO CCC[N@@H+](C[C@H](C)N)C[C@H]1CCCCO1 ZINC000261597451 135236639 /nfs/dbraw/zinc/23/66/39/135236639.db2.gz ZBOFNCOLHONRMP-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@H]1CCOC1 ZINC000261598026 135236650 /nfs/dbraw/zinc/23/66/50/135236650.db2.gz ZIQAQOVCWOCWCQ-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@H]1CCOC1 ZINC000261598026 135236652 /nfs/dbraw/zinc/23/66/52/135236652.db2.gz ZIQAQOVCWOCWCQ-WOPDTQHZSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H](CN(C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000261547177 135240001 /nfs/dbraw/zinc/24/00/01/135240001.db2.gz LZCJRMHMIYKEGF-ZFWWWQNUSA-N 1 3 247.386 1.458 20 0 BDADHO CC(C)N(C)CCC[NH2+]C1CCOCC1 ZINC000164422635 135252021 /nfs/dbraw/zinc/25/20/21/135252021.db2.gz SCXIUNAOSGRTSS-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO COC(=O)C[C@H]1CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000261879623 135259228 /nfs/dbraw/zinc/25/92/28/135259228.db2.gz QREZMKGUZROSEW-YPMHNXCESA-N 1 3 240.347 1.014 20 0 BDADHO CCc1nc(CNCC[C@H]2CC[NH2+]C2)cs1 ZINC000261893418 135260819 /nfs/dbraw/zinc/26/08/19/135260819.db2.gz AKWQNWPAFSUNIQ-SNVBAGLBSA-N 1 3 239.388 1.795 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342752432 135311431 /nfs/dbraw/zinc/31/14/31/135311431.db2.gz OVDAUHUMQALNDG-OLZOCXBDSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@@H]1NCCN(C(=O)CCCCCC[NH3+])[C@H]1C ZINC000262698007 135314402 /nfs/dbraw/zinc/31/44/02/135314402.db2.gz AEFLDIMOWPKAAC-RYUDHWBXSA-N 1 3 241.379 1.104 20 0 BDADHO c1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c[nH]1 ZINC000080773801 135384863 /nfs/dbraw/zinc/38/48/63/135384863.db2.gz KZXYKJJOJGOHSW-LBPRGKRZSA-N 1 3 219.332 1.589 20 0 BDADHO CCCCN(CCO)CC[C@H]1CCC[N@@H+]1C ZINC000348080874 136034309 /nfs/dbraw/zinc/03/43/09/136034309.db2.gz NGWXKVHZGYPDON-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO CCCCN(CCO)CC[C@H]1CCC[N@H+]1C ZINC000348080874 136034310 /nfs/dbraw/zinc/03/43/10/136034310.db2.gz NGWXKVHZGYPDON-CYBMUJFWSA-N 1 3 228.380 1.565 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[C@@H]1C(F)F ZINC000348152233 136039624 /nfs/dbraw/zinc/03/96/24/136039624.db2.gz BJZBRVIRAMHDRS-XFWSIPNHSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@@H]1C(F)F ZINC000348152233 136039625 /nfs/dbraw/zinc/03/96/25/136039625.db2.gz BJZBRVIRAMHDRS-XFWSIPNHSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1C(F)F ZINC000348152230 136040025 /nfs/dbraw/zinc/04/00/25/136040025.db2.gz BJZBRVIRAMHDRS-DOLQZWNJSA-N 1 3 218.291 1.570 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C[C@H]1C(F)F ZINC000348152230 136040026 /nfs/dbraw/zinc/04/00/26/136040026.db2.gz BJZBRVIRAMHDRS-DOLQZWNJSA-N 1 3 218.291 1.570 20 0 BDADHO CSCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335571589 136109998 /nfs/dbraw/zinc/10/99/98/136109998.db2.gz MKXMYUDVHFZZHI-LLVKDONJSA-N 1 3 214.378 1.377 20 0 BDADHO CSCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335571589 136109999 /nfs/dbraw/zinc/10/99/99/136109999.db2.gz MKXMYUDVHFZZHI-LLVKDONJSA-N 1 3 214.378 1.377 20 0 BDADHO COCC[C@@H](C)[NH2+]CCCN(C)CC(C)C ZINC000650130471 397938191 /nfs/dbraw/zinc/93/81/91/397938191.db2.gz WWJZTXJOLZVYER-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO COCC[C@@H](C)NCCC[N@H+](C)CC(C)C ZINC000650130471 397938193 /nfs/dbraw/zinc/93/81/93/397938193.db2.gz WWJZTXJOLZVYER-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO COCC[C@@H](C)NCCC[N@@H+](C)CC(C)C ZINC000650130471 397938195 /nfs/dbraw/zinc/93/81/95/397938195.db2.gz WWJZTXJOLZVYER-CYBMUJFWSA-N 1 3 230.396 1.979 20 0 BDADHO [NH3+]CCCN1CC[C@@H](Nc2ccccc2)C1 ZINC000414689080 398018921 /nfs/dbraw/zinc/01/89/21/398018921.db2.gz FOCJDYAKEQMXSO-CYBMUJFWSA-N 1 3 219.332 1.522 20 0 BDADHO CC(C)C[C@@H]([NH3+])CN1CCN(C)CC[C@@H]1C ZINC000414690017 398019937 /nfs/dbraw/zinc/01/99/37/398019937.db2.gz HFLVHVMSLWPQMG-QWHCGFSZSA-N 1 3 227.396 1.386 20 0 BDADHO CCc1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000071563557 397975549 /nfs/dbraw/zinc/97/55/49/397975549.db2.gz OIMKSCMBSIKWJK-UHFFFAOYSA-N 1 3 248.370 1.535 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384711457 398103243 /nfs/dbraw/zinc/10/32/43/398103243.db2.gz GKZAHRRNLAQORW-NAWOPXAZSA-N 1 3 226.364 1.673 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)O1 ZINC000384735919 398103772 /nfs/dbraw/zinc/10/37/72/398103772.db2.gz KPXOWCSAPUFSEB-OOCWMUITSA-N 1 3 212.337 1.412 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906138 398118798 /nfs/dbraw/zinc/11/87/98/398118798.db2.gz BAVRBHCOWLQPJT-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCO1 ZINC000245906138 398118800 /nfs/dbraw/zinc/11/88/00/398118800.db2.gz BAVRBHCOWLQPJT-HZSPNIEDSA-N 1 3 238.375 1.772 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000245907603 398119505 /nfs/dbraw/zinc/11/95/05/398119505.db2.gz BKWOOHWOWJEPAX-OLZOCXBDSA-N 1 3 240.391 1.754 20 0 BDADHO CCC(O)(CC)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000245907603 398119510 /nfs/dbraw/zinc/11/95/10/398119510.db2.gz BKWOOHWOWJEPAX-OLZOCXBDSA-N 1 3 240.391 1.754 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414948260 398121863 /nfs/dbraw/zinc/12/18/63/398121863.db2.gz LYHVJAXHLXMOIQ-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO CC(C)NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000228332340 167043935 /nfs/dbraw/zinc/04/39/35/167043935.db2.gz IEDZLQPEHCUIGZ-NEPJUHHUSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)NC(=O)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000228332340 167043938 /nfs/dbraw/zinc/04/39/38/167043938.db2.gz IEDZLQPEHCUIGZ-NEPJUHHUSA-N 1 3 241.379 1.008 20 0 BDADHO CCOc1ccc(CNC[C@H](C)C[NH3+])cc1 ZINC000258799960 322876171 /nfs/dbraw/zinc/87/61/71/322876171.db2.gz REHJBYMXMSRQDM-LLVKDONJSA-N 1 3 222.332 1.770 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000383099282 487586452 /nfs/dbraw/zinc/58/64/52/487586452.db2.gz ZOELDUUMQACSGO-CRWXNKLISA-N 1 3 240.391 1.597 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000383099282 487586457 /nfs/dbraw/zinc/58/64/57/487586457.db2.gz ZOELDUUMQACSGO-CRWXNKLISA-N 1 3 240.391 1.597 20 0 BDADHO C[C@@](C[NH3+])(NCCOCc1ccccc1)C1CC1 ZINC000662247906 409543819 /nfs/dbraw/zinc/54/38/19/409543819.db2.gz OLIZSVIPSLPTMC-HNNXBMFYSA-N 1 3 248.370 1.920 20 0 BDADHO C[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662253735 409552432 /nfs/dbraw/zinc/55/24/32/409552432.db2.gz CAMVOEVSNSBECC-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662253735 409552438 /nfs/dbraw/zinc/55/24/38/409552438.db2.gz CAMVOEVSNSBECC-JHJVBQTASA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H](N)C(C)C ZINC000653176039 410153427 /nfs/dbraw/zinc/15/34/27/410153427.db2.gz IPXTXLOUUJXGHL-GFCCVEGCSA-N 1 3 243.395 1.064 20 0 BDADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H](N)C(C)C ZINC000653176039 410153434 /nfs/dbraw/zinc/15/34/34/410153434.db2.gz IPXTXLOUUJXGHL-GFCCVEGCSA-N 1 3 243.395 1.064 20 0 BDADHO NCc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000655411822 410216178 /nfs/dbraw/zinc/21/61/78/410216178.db2.gz XRTWTHJSSMZMGP-UHFFFAOYSA-N 1 3 233.315 1.226 20 0 BDADHO C[NH2+]Cc1ccccc1CNCC1(F)CC1 ZINC000650719978 410357632 /nfs/dbraw/zinc/35/76/32/410357632.db2.gz BFGMCNVJPOPBNF-UHFFFAOYSA-N 1 3 222.307 1.998 20 0 BDADHO FC1(F)C[C@]12CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000650725325 410363924 /nfs/dbraw/zinc/36/39/24/410363924.db2.gz YJTIKALRTMHOKO-MNOVXSKESA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@]12CC[N@H+](C[C@@H]1CCCNC1)C2 ZINC000650725325 410363927 /nfs/dbraw/zinc/36/39/27/410363927.db2.gz YJTIKALRTMHOKO-MNOVXSKESA-N 1 3 230.302 1.717 20 0 BDADHO FC1(F)C[C@]12CC[N@@H+](C[C@@H]1CCCNC1)C2 ZINC000650725325 410363934 /nfs/dbraw/zinc/36/39/34/410363934.db2.gz YJTIKALRTMHOKO-MNOVXSKESA-N 1 3 230.302 1.717 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CNc2ccccc2C1 ZINC000650747464 410387164 /nfs/dbraw/zinc/38/71/64/410387164.db2.gz AKGHBJDWZDZHAG-LOWVWBTDSA-N 1 3 233.359 1.739 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccn(C)n1 ZINC000650748107 410388130 /nfs/dbraw/zinc/38/81/30/410388130.db2.gz NAYNWGPFOADCBM-JTQLQIEISA-N 1 3 222.336 1.200 20 0 BDADHO C[C@H](NCCC1CC[NH2+]CC1)c1ccn(C)n1 ZINC000650761509 410408915 /nfs/dbraw/zinc/40/89/15/410408915.db2.gz AQWYKTQTBIKDPZ-NSHDSACASA-N 1 3 236.363 1.460 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)N(C)CCN1CCCCC1 ZINC000653274850 410555112 /nfs/dbraw/zinc/55/51/12/410555112.db2.gz QFQYCTQHBHJZQO-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CN(CCN1CCCCC1)C(=O)CC(C)(C)[NH3+] ZINC000653274926 410557568 /nfs/dbraw/zinc/55/75/68/410557568.db2.gz RZHUYQBKWWRCPY-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000665230708 410724361 /nfs/dbraw/zinc/72/43/61/410724361.db2.gz UIAVCGMRKBAYDT-POOIEITISA-N 1 3 226.364 1.519 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CCCC2)[C@H](C)O1 ZINC000665246268 410729793 /nfs/dbraw/zinc/72/97/93/410729793.db2.gz AKKRYKHEFRCVEL-OUAUKWLOSA-N 1 3 212.337 1.413 20 0 BDADHO CCCN1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000665273839 410744288 /nfs/dbraw/zinc/74/42/88/410744288.db2.gz FLIVTRNSRDDYQT-TUAOUCFPSA-N 1 3 213.369 1.186 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@@H](C)CCCCO ZINC000665282379 410760928 /nfs/dbraw/zinc/76/09/28/410760928.db2.gz WSHXSCNBCQCRDT-NWDGAFQWSA-N 1 3 216.369 1.501 20 0 BDADHO CC(C)[C@H](N)CC[NH2+][C@H](C)CCCCO ZINC000665282380 410761529 /nfs/dbraw/zinc/76/15/29/410761529.db2.gz WSHXSCNBCQCRDT-VXGBXAGGSA-N 1 3 216.369 1.501 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C)[C@@H](C)[C@@H]1C ZINC000338284549 169772284 /nfs/dbraw/zinc/77/22/84/169772284.db2.gz QYLHTCMTYPCQLH-KBPBESRZSA-N 1 3 241.423 1.743 20 0 BDADHO CC(C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000037482878 167102061 /nfs/dbraw/zinc/10/20/61/167102061.db2.gz MANSBMMQUFKIJX-CHWSQXEVSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[NH2+]CCN[C@@H]1CCCC12CCOCC2 ZINC000370305010 167107206 /nfs/dbraw/zinc/10/72/06/167107206.db2.gz FDSCSMXWPKVECB-CYBMUJFWSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000051548743 167120727 /nfs/dbraw/zinc/12/07/27/167120727.db2.gz VPWMTDCMAPKVTO-UHFFFAOYSA-N 1 3 237.347 1.520 20 0 BDADHO CC(C)OCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000122347389 167236665 /nfs/dbraw/zinc/23/66/65/167236665.db2.gz LHPYLYUZHBXRHI-MNOVXSKESA-N 1 3 200.326 1.081 20 0 BDADHO COCc1ccccc1CNCCC[NH3+] ZINC000083968975 487619637 /nfs/dbraw/zinc/61/96/37/487619637.db2.gz DQIBWDUNTSGNEM-UHFFFAOYSA-N 1 3 208.305 1.271 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000651865712 411147879 /nfs/dbraw/zinc/14/78/79/411147879.db2.gz FMLKVAFEARLMQW-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CCN(CC)CCC[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661626312 411092452 /nfs/dbraw/zinc/09/24/52/411092452.db2.gz NWZIVPBIDVSJFB-WDNDVIMCSA-N 1 3 242.407 1.667 20 0 BDADHO CCN(CC)CCC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661626312 411092455 /nfs/dbraw/zinc/09/24/55/411092455.db2.gz NWZIVPBIDVSJFB-WDNDVIMCSA-N 1 3 242.407 1.667 20 0 BDADHO CCC(C)(C)N1CCN(C[C@@H](C)[NH3+])CC1 ZINC000655948084 411161372 /nfs/dbraw/zinc/16/13/72/411161372.db2.gz XRIOCKGAXNCMKH-LLVKDONJSA-N 1 3 213.369 1.140 20 0 BDADHO FC1(F)CC[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000300854765 411126928 /nfs/dbraw/zinc/12/69/28/411126928.db2.gz KBDMWJWNVKUEOE-DCAQKATOSA-N 1 3 230.302 1.573 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657937652 411173485 /nfs/dbraw/zinc/17/34/85/411173485.db2.gz KBMKAFTUCXYMJP-CYBMUJFWSA-N 1 3 236.359 1.550 20 0 BDADHO Cc1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000401136200 411177677 /nfs/dbraw/zinc/17/76/77/411177677.db2.gz QRUOHPOQWSRJBX-SDDRHHMPSA-N 1 3 235.331 1.461 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2COC[C@]2(C)C1 ZINC000661701985 411201245 /nfs/dbraw/zinc/20/12/45/411201245.db2.gz UFLMNFJFECZFSC-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H]2COC[C@]2(C)C1 ZINC000661701985 411201246 /nfs/dbraw/zinc/20/12/46/411201246.db2.gz UFLMNFJFECZFSC-MJBXVCDLSA-N 1 3 238.375 1.439 20 0 BDADHO Cc1nccnc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199080 411201496 /nfs/dbraw/zinc/20/14/96/411201496.db2.gz KFTLZHUVKYQGHY-VXGBXAGGSA-N 1 3 234.347 1.187 20 0 BDADHO Cc1cnc(CC[NH2+][C@H]2CCC[C@H]2CN)c(C)c1 ZINC000656199753 411204369 /nfs/dbraw/zinc/20/43/69/411204369.db2.gz BXSVYDYFZNUCHT-ZFWWWQNUSA-N 1 3 247.386 1.958 20 0 BDADHO Cc1cnc(CCN[C@H]2CCC[C@H]2C[NH3+])c(C)c1 ZINC000656199753 411204372 /nfs/dbraw/zinc/20/43/72/411204372.db2.gz BXSVYDYFZNUCHT-ZFWWWQNUSA-N 1 3 247.386 1.958 20 0 BDADHO C[C@H]1CCCN(Cc2ccnc(N)c2)[C@H]1CC[NH3+] ZINC000652355988 411214433 /nfs/dbraw/zinc/21/44/33/411214433.db2.gz ORGBXZSNNQZVMK-AAEUAGOBSA-N 1 3 248.374 1.443 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000310226849 411226954 /nfs/dbraw/zinc/22/69/54/411226954.db2.gz GXBCTAHBSTYIQL-QWHCGFSZSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)C1(C)CC1 ZINC000310226849 411226956 /nfs/dbraw/zinc/22/69/56/411226956.db2.gz GXBCTAHBSTYIQL-QWHCGFSZSA-N 1 3 242.407 1.808 20 0 BDADHO C[C@@H]1CCC[C@H](C)N1CC[NH2+][C@H]1CCC[C@H]1N ZINC000422884898 411233155 /nfs/dbraw/zinc/23/31/55/411233155.db2.gz FVDZGMWWIFECDP-RQJABVFESA-N 1 3 239.407 1.719 20 0 BDADHO CCN(CC[NH2+][C@@H]1CCCCC[C@H]1N)C(C)C ZINC000422883832 411233279 /nfs/dbraw/zinc/23/32/79/411233279.db2.gz VRFNWXHDOFNGTP-ZIAGYGMSSA-N 1 3 241.423 1.966 20 0 BDADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H](CCCO)c1ccccc1 ZINC000422976200 411235403 /nfs/dbraw/zinc/23/54/03/411235403.db2.gz IBKPEEDPPVZVBF-ILXRZTDVSA-N 1 3 248.370 1.970 20 0 BDADHO C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173579 411236176 /nfs/dbraw/zinc/23/61/76/411236176.db2.gz ZGYOWLUECJAZIS-BNDIWNMDSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCN1 ZINC000423173579 411236178 /nfs/dbraw/zinc/23/61/78/411236178.db2.gz ZGYOWLUECJAZIS-BNDIWNMDSA-N 1 3 208.349 1.905 20 0 BDADHO CCCCCN(CCO)C[C@@H]1CC[NH2+]C1 ZINC000309838531 411267916 /nfs/dbraw/zinc/26/79/16/411267916.db2.gz NAQRBEWVMMXZCZ-GFCCVEGCSA-N 1 3 214.353 1.080 20 0 BDADHO CC(C)(C)[C@@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466717 411279551 /nfs/dbraw/zinc/27/95/51/411279551.db2.gz HHYCOTMEKSVXTH-KOLCDFICSA-N 1 3 237.351 1.249 20 0 BDADHO CC[N@@H+]1CC[C@@H](NC[C@H](C)OC)[C@@H](C)C1 ZINC000658170725 411279841 /nfs/dbraw/zinc/27/98/41/411279841.db2.gz MVYMPXPVNGPWEO-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@@H](NC[C@H](C)OC)[C@@H](C)C1 ZINC000658170725 411279844 /nfs/dbraw/zinc/27/98/44/411279844.db2.gz MVYMPXPVNGPWEO-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO Cn1cc(CCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000310782116 411285173 /nfs/dbraw/zinc/28/51/73/411285173.db2.gz RWEIVPYMIDFOCC-KBPBESRZSA-N 1 3 248.374 1.023 20 0 BDADHO Cn1cc(CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cn1 ZINC000310782116 411285179 /nfs/dbraw/zinc/28/51/79/411285179.db2.gz RWEIVPYMIDFOCC-KBPBESRZSA-N 1 3 248.374 1.023 20 0 BDADHO Cn1cc(CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cn1 ZINC000310782116 411285184 /nfs/dbraw/zinc/28/51/84/411285184.db2.gz RWEIVPYMIDFOCC-KBPBESRZSA-N 1 3 248.374 1.023 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000309801967 411252722 /nfs/dbraw/zinc/25/27/22/411252722.db2.gz WRATVHIIMPGLIZ-FRRDWIJNSA-N 1 3 228.380 1.731 20 0 BDADHO CC(C)NC1(CO)CC[NH+](C2CCCC2)CC1 ZINC000653727568 411258039 /nfs/dbraw/zinc/25/80/39/411258039.db2.gz GDLIYRQXQPFDJE-UHFFFAOYSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000660145529 411260929 /nfs/dbraw/zinc/26/09/29/411260929.db2.gz XFOIVUOPMHSMKQ-CYBMUJFWSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H](CNC[C@]1(C)CC[NH2+]C1)c1ccccn1 ZINC000656783966 411361733 /nfs/dbraw/zinc/36/17/33/411361733.db2.gz WXRSRTMXUOKTBK-GXTWGEPZSA-N 1 3 233.359 1.774 20 0 BDADHO C[C@H](CN[C@@H]1CCC[NH2+]CC1)c1ccccn1 ZINC000656784143 411361845 /nfs/dbraw/zinc/36/18/45/411361845.db2.gz YZSQHANTOIHJDR-CHWSQXEVSA-N 1 3 233.359 1.917 20 0 BDADHO C[C@@]1(CN2C[C@]3(C)COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656787231 411365711 /nfs/dbraw/zinc/36/57/11/411365711.db2.gz HPVJNCCCVBEUMJ-MCIONIFRSA-N 1 3 238.375 1.344 20 0 BDADHO CC(C)(N)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788002 411367717 /nfs/dbraw/zinc/36/77/17/411367717.db2.gz FXDAPONAJADTMU-TXEJJXNPSA-N 1 3 212.337 1.082 20 0 BDADHO CC(C)(N)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000656788002 411367718 /nfs/dbraw/zinc/36/77/18/411367718.db2.gz FXDAPONAJADTMU-TXEJJXNPSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@H](COC)NCC1([NH3+])CCCC1 ZINC000656789099 411368817 /nfs/dbraw/zinc/36/88/17/411368817.db2.gz JAWRXJVTNWZFCZ-SNVBAGLBSA-N 1 3 200.326 1.273 20 0 BDADHO CC[C@H](COC)[NH2+]CC1(N)CCCC1 ZINC000656789099 411368820 /nfs/dbraw/zinc/36/88/20/411368820.db2.gz JAWRXJVTNWZFCZ-SNVBAGLBSA-N 1 3 200.326 1.273 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000656791611 411370489 /nfs/dbraw/zinc/37/04/89/411370489.db2.gz IINJFQVVANAQJC-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@H+](C[C@@H](O)CNC[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711503 411337197 /nfs/dbraw/zinc/33/71/97/411337197.db2.gz STXQZEUCGSDJGG-WDEREUQCSA-N 1 3 248.317 1.076 20 0 BDADHO C[N@@H+](C[C@@H](O)CNC[C@@]1(C)CC1(F)F)C1CC1 ZINC000656711503 411337202 /nfs/dbraw/zinc/33/72/02/411337202.db2.gz STXQZEUCGSDJGG-WDEREUQCSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@H](O)CCCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665078 411376901 /nfs/dbraw/zinc/37/69/01/411376901.db2.gz TZMVRWAJJYYAOP-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](O)CCCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665078 411376907 /nfs/dbraw/zinc/37/69/07/411376907.db2.gz TZMVRWAJJYYAOP-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC(C)[C@@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662434 411376039 /nfs/dbraw/zinc/37/60/39/411376039.db2.gz KDQUBGKKSSUHEG-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662434 411376042 /nfs/dbraw/zinc/37/60/42/411376042.db2.gz KDQUBGKKSSUHEG-UONOGXRCSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)OCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404360394 411391712 /nfs/dbraw/zinc/39/17/12/411391712.db2.gz DYDWUVATLQFHTA-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404360394 411391716 /nfs/dbraw/zinc/39/17/16/411391716.db2.gz DYDWUVATLQFHTA-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404360394 411391718 /nfs/dbraw/zinc/39/17/18/411391718.db2.gz DYDWUVATLQFHTA-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO COC(=O)C(C)(C)CCNC[C@H]1CCC[NH2+]C1 ZINC000414865759 411455433 /nfs/dbraw/zinc/45/54/33/411455433.db2.gz ZSOGRGOCXQOMFO-NSHDSACASA-N 1 3 242.363 1.165 20 0 BDADHO COCCOCCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404384918 411392740 /nfs/dbraw/zinc/39/27/40/411392740.db2.gz NWOVVTMSFZSPSD-CHWSQXEVSA-N 1 3 244.379 1.099 20 0 BDADHO COCCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404427703 411396764 /nfs/dbraw/zinc/39/67/64/411396764.db2.gz MRNCJLMHBREFJU-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO COCCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404427703 411396768 /nfs/dbraw/zinc/39/67/68/411396768.db2.gz MRNCJLMHBREFJU-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO CCO[C@@H]1C[N@H+](CCC(C)C)C[C@H]1CN ZINC000405399031 411427069 /nfs/dbraw/zinc/42/70/69/411427069.db2.gz VHFNKWFIBYOPGC-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO CCO[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1CN ZINC000405399031 411427070 /nfs/dbraw/zinc/42/70/70/411427070.db2.gz VHFNKWFIBYOPGC-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO CCO[C@@H]1CN(CCC(C)C)C[C@H]1C[NH3+] ZINC000405399031 411427073 /nfs/dbraw/zinc/42/70/73/411427073.db2.gz VHFNKWFIBYOPGC-VXGBXAGGSA-N 1 3 214.353 1.328 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(CO)CC1 ZINC000122356740 411430659 /nfs/dbraw/zinc/43/06/59/411430659.db2.gz HPUCVGGNSLVZEG-STQMWFEESA-N 1 3 240.391 1.659 20 0 BDADHO C[C@H]([C@H]1Cc2ccccc2O1)N(C)CCC[NH3+] ZINC000414707655 411440703 /nfs/dbraw/zinc/44/07/03/411440703.db2.gz MZECKIKSLLHUOZ-BXUZGUMPSA-N 1 3 234.343 1.659 20 0 BDADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000414707576 411440751 /nfs/dbraw/zinc/44/07/51/411440751.db2.gz IAVBJZRVQBKPPF-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO CC(C)C[C@H](N)C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000414707576 411440753 /nfs/dbraw/zinc/44/07/53/411440753.db2.gz IAVBJZRVQBKPPF-WOPDTQHZSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@@H]1C[C@@H](N[C@@H](C)CC[NH+](C)C)CO1 ZINC000657334427 411463591 /nfs/dbraw/zinc/46/35/91/411463591.db2.gz ABURESFQPAFJEK-QJPTWQEYSA-N 1 3 214.353 1.484 20 0 BDADHO CC(C)(CCN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000405972854 411448436 /nfs/dbraw/zinc/44/84/36/411448436.db2.gz VVFHRZRCNCRECG-VXGBXAGGSA-N 1 3 222.376 1.964 20 0 BDADHO C[NH+]1CCC(CNCc2cnc3n2CCC3)CC1 ZINC000657350009 411475474 /nfs/dbraw/zinc/47/54/74/411475474.db2.gz XKCDYWXUWTVWLY-UHFFFAOYSA-N 1 3 248.374 1.261 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H](C)C[NH+](C)C)CO1 ZINC000657472178 411523333 /nfs/dbraw/zinc/52/33/33/411523333.db2.gz OHMVYJCHFVXXLW-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO CC[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000657483149 411528726 /nfs/dbraw/zinc/52/87/26/411528726.db2.gz KUFJLTWDULRXNI-ZGHZMMAESA-N 1 3 238.375 1.769 20 0 BDADHO CC[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000657483149 411528728 /nfs/dbraw/zinc/52/87/28/411528728.db2.gz KUFJLTWDULRXNI-ZGHZMMAESA-N 1 3 238.375 1.769 20 0 BDADHO Cc1nc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)cs1 ZINC000655826739 411529753 /nfs/dbraw/zinc/52/97/53/411529753.db2.gz XYSXGKIJHWCACF-KLPPZKSPSA-N 1 3 239.388 1.881 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@@H](CC)C2)C1 ZINC000657327169 411466036 /nfs/dbraw/zinc/46/60/36/411466036.db2.gz ZCOLYUNJPWJDSC-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CO[C@@H](CC)C2)C1 ZINC000657327169 411466038 /nfs/dbraw/zinc/46/60/38/411466038.db2.gz ZCOLYUNJPWJDSC-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](CC)C2)C1 ZINC000657327169 411466039 /nfs/dbraw/zinc/46/60/39/411466039.db2.gz ZCOLYUNJPWJDSC-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](COC)CC(C)C)C1 ZINC000360412253 170010148 /nfs/dbraw/zinc/01/01/48/170010148.db2.gz GAANYNLLNBBEQI-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000309469009 170016845 /nfs/dbraw/zinc/01/68/45/170016845.db2.gz UARYFVHIBRTFGB-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000309469009 170016846 /nfs/dbraw/zinc/01/68/46/170016846.db2.gz UARYFVHIBRTFGB-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCO2)C1 ZINC000309469009 170016847 /nfs/dbraw/zinc/01/68/47/170016847.db2.gz UARYFVHIBRTFGB-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000336712194 170018826 /nfs/dbraw/zinc/01/88/26/170018826.db2.gz RPLOZQBBNNFJSL-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000336712194 170018827 /nfs/dbraw/zinc/01/88/27/170018827.db2.gz RPLOZQBBNNFJSL-IHRRRGAJSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000657563689 411552468 /nfs/dbraw/zinc/55/24/68/411552468.db2.gz UDDYPJQOELPLTJ-CYBMUJFWSA-N 1 3 239.407 1.543 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)[C@@H](N)C(C)C)c1 ZINC000131647237 170128659 /nfs/dbraw/zinc/12/86/59/170128659.db2.gz MKHXFXGSVWFZTE-ZDUSSCGKSA-N 1 3 249.358 1.718 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657620907 411566189 /nfs/dbraw/zinc/56/61/89/411566189.db2.gz SIUSUDKEISOSDJ-SRVKXCTJSA-N 1 3 212.337 1.238 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657620907 411566191 /nfs/dbraw/zinc/56/61/91/411566191.db2.gz SIUSUDKEISOSDJ-SRVKXCTJSA-N 1 3 212.337 1.238 20 0 BDADHO CCOCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000369736042 170398660 /nfs/dbraw/zinc/39/86/60/170398660.db2.gz LVDZANIPQRBFNA-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO CCOCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000369736042 170398661 /nfs/dbraw/zinc/39/86/61/170398661.db2.gz LVDZANIPQRBFNA-GFCCVEGCSA-N 1 3 214.353 1.439 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(CC1(C)COC1)C2 ZINC000660660453 411614885 /nfs/dbraw/zinc/61/48/85/411614885.db2.gz VSHOCMIKNYZZKR-AWEZNQCLSA-N 1 3 238.375 1.441 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(CC1(C)COC1)C2 ZINC000660660453 411614887 /nfs/dbraw/zinc/61/48/87/411614887.db2.gz VSHOCMIKNYZZKR-AWEZNQCLSA-N 1 3 238.375 1.441 20 0 BDADHO CO[C@H](C)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665120 411615599 /nfs/dbraw/zinc/61/55/99/411615599.db2.gz UMBIYJKXVPAACV-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@H](C)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665120 411615600 /nfs/dbraw/zinc/61/56/00/411615600.db2.gz UMBIYJKXVPAACV-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@@H](C)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665123 411616060 /nfs/dbraw/zinc/61/60/60/411616060.db2.gz UMBIYJKXVPAACV-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CO[C@@H](C)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665123 411616061 /nfs/dbraw/zinc/61/60/61/411616061.db2.gz UMBIYJKXVPAACV-STQMWFEESA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CNC1(C2CCC2)CC1 ZINC000660921207 411672111 /nfs/dbraw/zinc/67/21/11/411672111.db2.gz VBUSDWKNSHOXPO-CYBMUJFWSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CNC1(C2CCC2)CC1 ZINC000660921207 411672116 /nfs/dbraw/zinc/67/21/16/411672116.db2.gz VBUSDWKNSHOXPO-CYBMUJFWSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@H](CCC1CC1)[NH2+]CC12CC(C1)CN2 ZINC000663498339 411681199 /nfs/dbraw/zinc/68/11/99/411681199.db2.gz OYFWZXNYMWETPZ-QFWMXSHPSA-N 1 3 208.349 1.907 20 0 BDADHO CCOC[C@H](C)NCC[C@@H]([NH3+])C(C)C ZINC000663498697 411682353 /nfs/dbraw/zinc/68/23/53/411682353.db2.gz DKLCJRIHRJLHMX-WDEREUQCSA-N 1 3 202.342 1.374 20 0 BDADHO Cc1cn[nH]c1CNCC[C@@H]([NH3+])C(C)C ZINC000663502947 411688572 /nfs/dbraw/zinc/68/85/72/411688572.db2.gz JNRGTPHNSRDLAZ-SNVBAGLBSA-N 1 3 210.325 1.181 20 0 BDADHO CC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)N(C)C ZINC000126395833 170664250 /nfs/dbraw/zinc/66/42/50/170664250.db2.gz PPPCXGGHYXPDPF-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO O[C@@H]1CC[N@@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000662153748 412009186 /nfs/dbraw/zinc/00/91/86/412009186.db2.gz ULDBRDRRTVYQGS-CQSZACIVSA-N 1 3 238.375 1.460 20 0 BDADHO O[C@@H]1CC[N@H+](C2CCN(C3CCCC3)CC2)C1 ZINC000662153748 412009191 /nfs/dbraw/zinc/00/91/91/412009191.db2.gz ULDBRDRRTVYQGS-CQSZACIVSA-N 1 3 238.375 1.460 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247552 412045250 /nfs/dbraw/zinc/04/52/50/412045250.db2.gz XICWIYNTAGLARJ-RVMXOQNASA-N 1 3 208.349 1.574 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662247552 412045252 /nfs/dbraw/zinc/04/52/52/412045252.db2.gz XICWIYNTAGLARJ-RVMXOQNASA-N 1 3 208.349 1.574 20 0 BDADHO CN(CCO[C@H]1CC1(F)F)CC(C)(C)C[NH3+] ZINC000662248266 412047770 /nfs/dbraw/zinc/04/77/70/412047770.db2.gz XNRPPQINDKVMJA-VIFPVBQESA-N 1 3 236.306 1.327 20 0 BDADHO CC(C)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662250770 412049019 /nfs/dbraw/zinc/04/90/19/412049019.db2.gz NOXIQUQKTABHQS-STQMWFEESA-N 1 3 238.375 1.628 20 0 BDADHO CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662250770 412049020 /nfs/dbraw/zinc/04/90/20/412049020.db2.gz NOXIQUQKTABHQS-STQMWFEESA-N 1 3 238.375 1.628 20 0 BDADHO CCCC[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662252232 412049232 /nfs/dbraw/zinc/04/92/32/412049232.db2.gz MXNKWVQXAIOFQN-CYBMUJFWSA-N 1 3 238.375 1.772 20 0 BDADHO CCCC[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662252232 412049235 /nfs/dbraw/zinc/04/92/35/412049235.db2.gz MXNKWVQXAIOFQN-CYBMUJFWSA-N 1 3 238.375 1.772 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255349 412051421 /nfs/dbraw/zinc/05/14/21/412051421.db2.gz OSMFCFXVUMGXMX-FRRDWIJNSA-N 1 3 236.359 1.239 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000662255349 412051423 /nfs/dbraw/zinc/05/14/23/412051423.db2.gz OSMFCFXVUMGXMX-FRRDWIJNSA-N 1 3 236.359 1.239 20 0 BDADHO CC[C@]1(C)CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258695 412053344 /nfs/dbraw/zinc/05/33/44/412053344.db2.gz ZCDBKUDNOPYZGB-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@]1(C)CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258695 412053346 /nfs/dbraw/zinc/05/33/46/412053346.db2.gz ZCDBKUDNOPYZGB-CHWSQXEVSA-N 1 3 238.375 1.629 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@@H]3CCC4(CNC4)O3)C[C@@H]21 ZINC000662258291 412053415 /nfs/dbraw/zinc/05/34/15/412053415.db2.gz VGOKSBNDRLQILG-SDDRHHMPSA-N 1 3 236.359 1.095 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@@H]3CCC4(CNC4)O3)C[C@@H]21 ZINC000662258291 412053418 /nfs/dbraw/zinc/05/34/18/412053418.db2.gz VGOKSBNDRLQILG-SDDRHHMPSA-N 1 3 236.359 1.095 20 0 BDADHO CO[C@H](C[N@@H+]1C[C@@H](CN)C[C@@H]1C)C1CCCC1 ZINC000662266429 412057377 /nfs/dbraw/zinc/05/73/77/412057377.db2.gz YZCZLOVVKCDGMO-OUCADQQQSA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H](C[N@H+]1C[C@@H](CN)C[C@@H]1C)C1CCCC1 ZINC000662266429 412057378 /nfs/dbraw/zinc/05/73/78/412057378.db2.gz YZCZLOVVKCDGMO-OUCADQQQSA-N 1 3 240.391 1.861 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NCCO[C@H]1CC1(F)F ZINC000662277904 412069869 /nfs/dbraw/zinc/06/98/69/412069869.db2.gz TWUKGNZEIPJMCX-BDAKNGLRSA-N 1 3 236.306 1.374 20 0 BDADHO C[C@H]1CCCC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662279007 412070753 /nfs/dbraw/zinc/07/07/53/412070753.db2.gz DYEJXHZEOFTFDQ-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1CCCC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662279007 412070755 /nfs/dbraw/zinc/07/07/55/412070755.db2.gz DYEJXHZEOFTFDQ-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1CCCC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662279008 412071448 /nfs/dbraw/zinc/07/14/48/412071448.db2.gz DYEJXHZEOFTFDQ-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1CCCC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662279008 412071450 /nfs/dbraw/zinc/07/14/50/412071450.db2.gz DYEJXHZEOFTFDQ-STQMWFEESA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@H](C(=O)N(CC)CCC[NH+](C)C)N(C)C ZINC000338893699 171222821 /nfs/dbraw/zinc/22/28/21/171222821.db2.gz YBEOFIOCALYKEU-GFCCVEGCSA-N 1 3 243.395 1.127 20 0 BDADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH3+])N(CC)CC ZINC000359431087 171224924 /nfs/dbraw/zinc/22/49/24/171224924.db2.gz TYKLYHCNUSWQNN-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO C[N@H+](CCC(C)(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662283547 412074873 /nfs/dbraw/zinc/07/48/73/412074873.db2.gz AERHNJYWZYWMJE-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+](CCC(C)(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662283547 412074875 /nfs/dbraw/zinc/07/48/75/412074875.db2.gz AERHNJYWZYWMJE-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+](CCC(C)(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662283548 412075740 /nfs/dbraw/zinc/07/57/40/412075740.db2.gz AERHNJYWZYWMJE-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+](CCC(C)(C)C)C[C@@H]1CCC2(CNC2)O1 ZINC000662283548 412075744 /nfs/dbraw/zinc/07/57/44/412075744.db2.gz AERHNJYWZYWMJE-LBPRGKRZSA-N 1 3 240.391 1.875 20 0 BDADHO C[NH2+]CCCN1CCC[C@H](C)[C@H]1CCO ZINC000662303108 412083345 /nfs/dbraw/zinc/08/33/45/412083345.db2.gz SPXMLBWJDPVAKO-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000662303108 412083348 /nfs/dbraw/zinc/08/33/48/412083348.db2.gz SPXMLBWJDPVAKO-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO CNCCC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000662303108 412083352 /nfs/dbraw/zinc/08/33/52/412083352.db2.gz SPXMLBWJDPVAKO-NWDGAFQWSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)[C@@H]1CCO ZINC000662302860 412084942 /nfs/dbraw/zinc/08/49/42/412084942.db2.gz OOXGVBJLEGGRDF-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[NH2+]CCCN1CCC[C@@H](CCF)C1 ZINC000662311634 412094503 /nfs/dbraw/zinc/09/45/03/412094503.db2.gz VCLMSDPYQHMQCE-NSHDSACASA-N 1 3 202.317 1.668 20 0 BDADHO CNCCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000662311634 412094504 /nfs/dbraw/zinc/09/45/04/412094504.db2.gz VCLMSDPYQHMQCE-NSHDSACASA-N 1 3 202.317 1.668 20 0 BDADHO CNCCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000662311634 412094506 /nfs/dbraw/zinc/09/45/06/412094506.db2.gz VCLMSDPYQHMQCE-NSHDSACASA-N 1 3 202.317 1.668 20 0 BDADHO [NH3+]CCCN1CC2CC1(c1ccccc1)C2 ZINC000662328510 412105338 /nfs/dbraw/zinc/10/53/38/412105338.db2.gz RIYJTWWYLSZCEG-UHFFFAOYSA-N 1 3 216.328 1.956 20 0 BDADHO C[N@H+](C[C@H]1CC1(C)C)C[C@@H]1CCCNC1 ZINC000662332786 412105904 /nfs/dbraw/zinc/10/59/04/412105904.db2.gz XJBNUDGDBHHUOR-VXGBXAGGSA-N 1 3 210.365 1.964 20 0 BDADHO C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CCCNC1 ZINC000662332786 412105908 /nfs/dbraw/zinc/10/59/08/412105908.db2.gz XJBNUDGDBHHUOR-VXGBXAGGSA-N 1 3 210.365 1.964 20 0 BDADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCCNC1 ZINC000662332783 412106300 /nfs/dbraw/zinc/10/63/00/412106300.db2.gz XJBNUDGDBHHUOR-NEPJUHHUSA-N 1 3 210.365 1.964 20 0 BDADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@@H]1CCCNC1 ZINC000662332783 412106307 /nfs/dbraw/zinc/10/63/07/412106307.db2.gz XJBNUDGDBHHUOR-NEPJUHHUSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCCO1 ZINC000665236943 412175696 /nfs/dbraw/zinc/17/56/96/412175696.db2.gz WXQAPKIGNZUZBM-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000665236943 412175699 /nfs/dbraw/zinc/17/56/99/412175699.db2.gz WXQAPKIGNZUZBM-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO CC[C@H](COCC1CC1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000665236169 412176982 /nfs/dbraw/zinc/17/69/82/412176982.db2.gz ISFBPQQGPRLXOK-GMXVVIOVSA-N 1 3 228.380 1.907 20 0 BDADHO CC[C@H](C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000665237512 412178461 /nfs/dbraw/zinc/17/84/61/412178461.db2.gz CDDKAPGRRLPIGE-ZDEQEGDKSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H](CN1CCC(C)CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000665272444 412214483 /nfs/dbraw/zinc/21/44/83/412214483.db2.gz FOKNHGMUDPUNGJ-OLZOCXBDSA-N 1 3 239.407 1.304 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000665238933 412179874 /nfs/dbraw/zinc/17/98/74/412179874.db2.gz HVXJERDIVZNXPF-UKRRQHHQSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000665238933 412179875 /nfs/dbraw/zinc/17/98/75/412179875.db2.gz HVXJERDIVZNXPF-UKRRQHHQSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccncc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000665238998 412179924 /nfs/dbraw/zinc/17/99/24/412179924.db2.gz JWVOIECIKRKHQL-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccncc1CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000665238998 412179928 /nfs/dbraw/zinc/17/99/28/412179928.db2.gz JWVOIECIKRKHQL-ZIAGYGMSSA-N 1 3 233.359 1.792 20 0 BDADHO C1C[C@H]([NH2+][C@H]2CCC[C@@H]([C@H]3CCOC3)C2)CN1 ZINC000665242161 412184093 /nfs/dbraw/zinc/18/40/93/412184093.db2.gz MGHJNHAPLLYXMD-RFGFWPKPSA-N 1 3 238.375 1.533 20 0 BDADHO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1C)C1CNC1 ZINC000665244123 412186886 /nfs/dbraw/zinc/18/68/86/412186886.db2.gz GNXDBLOQPCBPSE-ZIBATOQPSA-N 1 3 230.355 1.912 20 0 BDADHO C[C@H](N[C@@H]1Cc2ccccc2[C@@H]1C)C1C[NH2+]C1 ZINC000665244123 412186890 /nfs/dbraw/zinc/18/68/90/412186890.db2.gz GNXDBLOQPCBPSE-ZIBATOQPSA-N 1 3 230.355 1.912 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCO[C@@H]1CC1(F)F ZINC000665244522 412187176 /nfs/dbraw/zinc/18/71/76/412187176.db2.gz POVZNIBHIMSRPI-LPEHRKFASA-N 1 3 234.290 1.128 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244522 412187179 /nfs/dbraw/zinc/18/71/79/412187179.db2.gz POVZNIBHIMSRPI-LPEHRKFASA-N 1 3 234.290 1.128 20 0 BDADHO C[C@@H]([NH2+]CC1(N)CCCC1)[C@@H]1CCCO1 ZINC000665247976 412193502 /nfs/dbraw/zinc/19/35/02/412193502.db2.gz MXPNGGBNYFCZFZ-MNOVXSKESA-N 1 3 212.337 1.415 20 0 BDADHO C[C@@H](NCC1([NH3+])CCCC1)[C@@H]1CCCO1 ZINC000665247976 412193504 /nfs/dbraw/zinc/19/35/04/412193504.db2.gz MXPNGGBNYFCZFZ-MNOVXSKESA-N 1 3 212.337 1.415 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCC(C)(C)F ZINC000665261971 412203678 /nfs/dbraw/zinc/20/36/78/412203678.db2.gz PZULSBYTFYMFPR-HBNTYKKESA-N 1 3 232.343 1.467 20 0 BDADHO COCc1csc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000665263684 412206732 /nfs/dbraw/zinc/20/67/32/412206732.db2.gz RXIZEJJDDRZRQI-NEPJUHHUSA-N 1 3 240.372 1.864 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000665264732 412207407 /nfs/dbraw/zinc/20/74/07/412207407.db2.gz HBWFECMEDNJKLS-DGAVXFQQSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNCC[C@@H]2C)O1 ZINC000665264732 412207412 /nfs/dbraw/zinc/20/74/12/412207412.db2.gz HBWFECMEDNJKLS-DGAVXFQQSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)O1 ZINC000665264733 412207800 /nfs/dbraw/zinc/20/78/00/412207800.db2.gz HBWFECMEDNJKLS-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)O1 ZINC000665264733 412207802 /nfs/dbraw/zinc/20/78/02/412207802.db2.gz HBWFECMEDNJKLS-REWJHTLYSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)O1 ZINC000665265063 412208614 /nfs/dbraw/zinc/20/86/14/412208614.db2.gz OMRKNQAYRKSCJI-YIPFDTCYSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[C@H](C)O1 ZINC000665265116 412209203 /nfs/dbraw/zinc/20/92/03/412209203.db2.gz PRCQIFYBYSHCPM-BJDJZHNGSA-N 1 3 214.353 1.659 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCC[C@@H](C)O1 ZINC000665265119 412209213 /nfs/dbraw/zinc/20/92/13/412209213.db2.gz PRCQIFYBYSHCPM-YFKTTZPYSA-N 1 3 214.353 1.659 20 0 BDADHO CC[NH2+]CCCNC(=O)c1cccc2c1CNC2 ZINC000662399765 412148936 /nfs/dbraw/zinc/14/89/36/412148936.db2.gz SYYFNSOEXNZKJN-UHFFFAOYSA-N 1 3 247.342 1.019 20 0 BDADHO CCCN1CC[C@@H](N[C@@H](CC)[C@@H]2CCC[NH2+]2)C1 ZINC000665273865 412215813 /nfs/dbraw/zinc/21/58/13/412215813.db2.gz FVMIYVUEDBIGAR-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO [NH3+]C1(CC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000662417240 412158604 /nfs/dbraw/zinc/15/86/04/412158604.db2.gz FOCWIIRIZGLFPE-UHFFFAOYSA-N 1 3 245.326 1.152 20 0 BDADHO CC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000662419110 412159392 /nfs/dbraw/zinc/15/93/92/412159392.db2.gz WJDCVUYLWKGMFR-CYBMUJFWSA-N 1 3 247.342 1.269 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748083 412173365 /nfs/dbraw/zinc/17/33/65/412173365.db2.gz RVTYXAUTYQXZPN-VEGXAWMVSA-N 1 3 224.348 1.413 20 0 BDADHO CC[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665277940 412220752 /nfs/dbraw/zinc/22/07/52/412220752.db2.gz PYOYDBFKJIWMDY-CMOBGSAGSA-N 1 3 208.349 1.907 20 0 BDADHO CC[C@H]1CCC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277940 412220756 /nfs/dbraw/zinc/22/07/56/412220756.db2.gz PYOYDBFKJIWMDY-CMOBGSAGSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]([NH2+]CCOCCF)[C@H]1CCCCN1 ZINC000665299147 412248241 /nfs/dbraw/zinc/24/82/41/412248241.db2.gz HNWMOQDARGICSK-GHMZBOCLSA-N 1 3 218.316 1.093 20 0 BDADHO C[NH2+]Cc1ccc(NC(=O)CNC(C)C)cc1 ZINC000662783839 412301756 /nfs/dbraw/zinc/30/17/56/412301756.db2.gz RSAGMWKEKVGBIC-UHFFFAOYSA-N 1 3 235.331 1.343 20 0 BDADHO CCn1cc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000336521448 172162747 /nfs/dbraw/zinc/16/27/47/172162747.db2.gz XAYLWYUEQZYTEH-UHFFFAOYSA-N 1 3 248.374 1.479 20 0 BDADHO CCn1cc(CNCC2=CC[N@H+](C)CC2)cn1 ZINC000271849923 172170564 /nfs/dbraw/zinc/17/05/64/172170564.db2.gz SPUXEHGGGIWAQW-UHFFFAOYSA-N 1 3 234.347 1.255 20 0 BDADHO CCn1cc(CNCC2=CC[N@@H+](C)CC2)cn1 ZINC000271849923 172170568 /nfs/dbraw/zinc/17/05/68/172170568.db2.gz SPUXEHGGGIWAQW-UHFFFAOYSA-N 1 3 234.347 1.255 20 0 BDADHO C[NH+]1CCC2(CCCN(Cc3ccno3)C2)CC1 ZINC000367199188 173002949 /nfs/dbraw/zinc/00/29/49/173002949.db2.gz INZDUWVFGWWVFS-UHFFFAOYSA-N 1 3 249.358 1.982 20 0 BDADHO CN(CCc1ccncc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842511 173042343 /nfs/dbraw/zinc/04/23/43/173042343.db2.gz SFVXJDLONWYDER-HNNXBMFYSA-N 1 3 247.386 1.898 20 0 BDADHO CN(CCc1ccncc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842511 173042344 /nfs/dbraw/zinc/04/23/44/173042344.db2.gz SFVXJDLONWYDER-HNNXBMFYSA-N 1 3 247.386 1.898 20 0 BDADHO CN1CC[C@@]2(CC[N@H+](CCOCC3CC3)C2)C1 ZINC000336684177 173137905 /nfs/dbraw/zinc/13/79/05/173137905.db2.gz FOSDVWZTUWXGJK-CQSZACIVSA-N 1 3 238.375 1.441 20 0 BDADHO CN1CC[C@@]2(CC[N@@H+](CCOCC3CC3)C2)C1 ZINC000336684177 173137907 /nfs/dbraw/zinc/13/79/07/173137907.db2.gz FOSDVWZTUWXGJK-CQSZACIVSA-N 1 3 238.375 1.441 20 0 BDADHO C[NH2+]CCCC(=O)N(CCN(C)C)CC(C)C ZINC000037825197 173342744 /nfs/dbraw/zinc/34/27/44/173342744.db2.gz PBEUNULMNNXZHA-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO C[NH2+]CCCN(C)C(=O)C[C@H](N)c1ccccc1 ZINC000124617979 173346265 /nfs/dbraw/zinc/34/62/65/173346265.db2.gz NXHRQTQYCZHTLU-ZDUSSCGKSA-N 1 3 249.358 1.144 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](C)NC2CC2)c1 ZINC000296241882 173389674 /nfs/dbraw/zinc/38/96/74/173389674.db2.gz CQVHVZOQOMHAGE-SNVBAGLBSA-N 1 3 247.342 1.485 20 0 BDADHO CNCc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000296578330 173389756 /nfs/dbraw/zinc/38/97/56/173389756.db2.gz WRQSXELRMQWITP-GFCCVEGCSA-N 1 3 247.342 1.344 20 0 BDADHO COCCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000082645400 174230402 /nfs/dbraw/zinc/23/04/02/174230402.db2.gz PDWIDPNMDMEYEO-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCOCCN(C)C)C[C@H]1C ZINC000300421018 176233043 /nfs/dbraw/zinc/23/30/43/176233043.db2.gz COVYQVZPPVGPAQ-MCIONIFRSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCC1=CCCOC1 ZINC000335606859 176271181 /nfs/dbraw/zinc/27/11/81/176271181.db2.gz YWAQYMGCMNPTKH-DGCLKSJQSA-N 1 3 224.348 1.263 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1=CCCOC1 ZINC000335606859 176271183 /nfs/dbraw/zinc/27/11/83/176271183.db2.gz YWAQYMGCMNPTKH-DGCLKSJQSA-N 1 3 224.348 1.263 20 0 BDADHO C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)N(C)C ZINC000038087811 176278321 /nfs/dbraw/zinc/27/83/21/176278321.db2.gz XMVYJXFRDBCHPA-LPWJVIDDSA-N 1 3 227.396 1.255 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCn1cccn1 ZINC000042539464 176278743 /nfs/dbraw/zinc/27/87/43/176278743.db2.gz VCHCBWVGOFMDHZ-UPJWGTAASA-N 1 3 236.363 1.201 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCn1cccn1 ZINC000042539464 176278744 /nfs/dbraw/zinc/27/87/44/176278744.db2.gz VCHCBWVGOFMDHZ-UPJWGTAASA-N 1 3 236.363 1.201 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1=CCCOC1 ZINC000348222938 176279030 /nfs/dbraw/zinc/27/90/30/176279030.db2.gz WSLQDOZHSFCYCA-BZPMIXESSA-N 1 3 238.375 1.651 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1=CCCOC1 ZINC000348222938 176279031 /nfs/dbraw/zinc/27/90/31/176279031.db2.gz WSLQDOZHSFCYCA-BZPMIXESSA-N 1 3 238.375 1.651 20 0 BDADHO C[C@@H]1C[C@@H](CN(C)Cc2ccccn2)CC[NH2+]1 ZINC000235379833 176367304 /nfs/dbraw/zinc/36/73/04/176367304.db2.gz CVVUTSXZVYSSHJ-OLZOCXBDSA-N 1 3 233.359 1.902 20 0 BDADHO C[C@H](O)[C@@H]1CCCCN1CC[C@@H]1CCC[N@@H+]1C ZINC000336679957 177008316 /nfs/dbraw/zinc/00/83/16/177008316.db2.gz CHYPEJYCABLDJB-IHRRRGAJSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H](O)[C@@H]1CCCCN1CC[C@@H]1CCC[N@H+]1C ZINC000336679957 177008318 /nfs/dbraw/zinc/00/83/18/177008318.db2.gz CHYPEJYCABLDJB-IHRRRGAJSA-N 1 3 240.391 1.706 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNc1ccccn1 ZINC000361881823 177234157 /nfs/dbraw/zinc/23/41/57/177234157.db2.gz WXZISAPZROZEBG-QWHCGFSZSA-N 1 3 248.374 1.423 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNc1ccccn1 ZINC000361881823 177234159 /nfs/dbraw/zinc/23/41/59/177234159.db2.gz WXZISAPZROZEBG-QWHCGFSZSA-N 1 3 248.374 1.423 20 0 BDADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(CO)c1 ZINC000361184539 177234528 /nfs/dbraw/zinc/23/45/28/177234528.db2.gz SIWYSGKGQUFRHK-SWLSCSKDSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(CO)c1 ZINC000361184539 177234530 /nfs/dbraw/zinc/23/45/30/177234530.db2.gz SIWYSGKGQUFRHK-SWLSCSKDSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@H]1CN(CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000026515244 177246419 /nfs/dbraw/zinc/24/64/19/177246419.db2.gz VAXHDQLLHKKJFR-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC(C)(C)O1 ZINC000051919614 177254201 /nfs/dbraw/zinc/25/42/01/177254201.db2.gz OEKOXZOGQCYOCW-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000051918896 177254611 /nfs/dbraw/zinc/25/46/11/177254611.db2.gz PRXNNBAHHAVDAE-XQQFMLRXSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@@H](NCCCC[NH+](C)C)c2nccn21 ZINC000345364583 177331497 /nfs/dbraw/zinc/33/14/97/177331497.db2.gz XTBTYIRRKSQQEO-NWDGAFQWSA-N 1 3 236.363 1.820 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc2c[nH]nc21 ZINC000334143249 177361198 /nfs/dbraw/zinc/36/11/98/177361198.db2.gz RAPFSMSVVRMCSR-WDEREUQCSA-N 1 3 244.342 1.732 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](C)CC1 ZINC000393873844 487644988 /nfs/dbraw/zinc/64/49/88/487644988.db2.gz CAJYJAFICOUKEV-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H](C)CC1 ZINC000393873844 487644994 /nfs/dbraw/zinc/64/49/94/487644994.db2.gz CAJYJAFICOUKEV-KBPBESRZSA-N 1 3 242.407 1.810 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000494352625 226264191 /nfs/dbraw/zinc/26/41/91/226264191.db2.gz VLRYLMVIPQAHKR-ZDUSSCGKSA-N 1 3 242.407 1.981 20 0 BDADHO Cn1cncc1CCC[N@H+](C)CC(C)(C)CN ZINC000314899688 487670197 /nfs/dbraw/zinc/67/01/97/487670197.db2.gz NDSXAOFDOILPHR-UHFFFAOYSA-N 1 3 238.379 1.269 20 0 BDADHO Cn1cncc1CCC[N@@H+](C)CC(C)(C)CN ZINC000314899688 487670201 /nfs/dbraw/zinc/67/02/01/487670201.db2.gz NDSXAOFDOILPHR-UHFFFAOYSA-N 1 3 238.379 1.269 20 0 BDADHO CN(CCCc1cncn1C)CC(C)(C)C[NH3+] ZINC000314899688 487670203 /nfs/dbraw/zinc/67/02/03/487670203.db2.gz NDSXAOFDOILPHR-UHFFFAOYSA-N 1 3 238.379 1.269 20 0 BDADHO FCCCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000088026318 487699680 /nfs/dbraw/zinc/69/96/80/487699680.db2.gz SOPUWIHJXOQWAU-NEPJUHHUSA-N 1 3 214.328 1.810 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000082645538 487704686 /nfs/dbraw/zinc/70/46/86/487704686.db2.gz PURVJFXYJLCJNY-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@H](C)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376060 584567851 /nfs/dbraw/zinc/56/78/51/584567851.db2.gz HXASIFBYSYSEIW-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO COC[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251023862 487746650 /nfs/dbraw/zinc/74/66/50/487746650.db2.gz ZXOFPQQLHQYSMJ-RWMBFGLXSA-N 1 3 226.364 1.485 20 0 BDADHO COCC[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251269228 487752293 /nfs/dbraw/zinc/75/22/93/487752293.db2.gz XFOAUPHLXATCJG-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798319 /nfs/dbraw/zinc/79/83/19/487798319.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO CN1CCC[C@@H]2C[N@H+]([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798323 /nfs/dbraw/zinc/79/83/23/487798323.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798328 /nfs/dbraw/zinc/79/83/28/487798328.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCOC3)CC[C@H]21 ZINC000675983300 487798333 /nfs/dbraw/zinc/79/83/33/487798333.db2.gz PBERLFULPMERJY-MGPQQGTHSA-N 1 3 238.375 1.582 20 0 BDADHO CO[C@@H](C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224011104 487815068 /nfs/dbraw/zinc/81/50/68/487815068.db2.gz IAHRMIUQCXLUEJ-AGIUHOORSA-N 1 3 228.380 1.922 20 0 BDADHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN)C12CCC2 ZINC000414697662 487818033 /nfs/dbraw/zinc/81/80/33/487818033.db2.gz CPYGIKOGVPLZCR-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN)C12CCC2 ZINC000414697662 487818037 /nfs/dbraw/zinc/81/80/37/487818037.db2.gz CPYGIKOGVPLZCR-NEPJUHHUSA-N 1 3 226.364 1.615 20 0 BDADHO CCC1CCC([N@H+](CCO)CCCN)CC1 ZINC000414755273 487821388 /nfs/dbraw/zinc/82/13/88/487821388.db2.gz OTFAOJCDJNCNAF-UHFFFAOYSA-N 1 3 228.380 1.598 20 0 BDADHO CCC1CCC([N@@H+](CCO)CCCN)CC1 ZINC000414755273 487821392 /nfs/dbraw/zinc/82/13/92/487821392.db2.gz OTFAOJCDJNCNAF-UHFFFAOYSA-N 1 3 228.380 1.598 20 0 BDADHO CCCC[C@H](CN)[NH2+]Cc1ccc(C)nc1 ZINC000414814449 487825294 /nfs/dbraw/zinc/82/52/94/487825294.db2.gz NRQORQYHOYJLMD-CYBMUJFWSA-N 1 3 221.348 1.997 20 0 BDADHO CC(C)(CO)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252722464 487831010 /nfs/dbraw/zinc/83/10/10/487831010.db2.gz QPEUSBGGYGHMHJ-JHJVBQTASA-N 1 3 240.391 1.515 20 0 BDADHO COCCCCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252724369 487831218 /nfs/dbraw/zinc/83/12/18/487831218.db2.gz XCGTXMZQEZCTMS-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO CCCN1CC[C@H](NC(=O)[C@@](C)([NH3+])CCC)C1 ZINC000389737943 487832530 /nfs/dbraw/zinc/83/25/30/487832530.db2.gz LFSZXPAVXYCAOZ-AAEUAGOBSA-N 1 3 241.379 1.104 20 0 BDADHO CC(C)c1nc(CCNCCC[NH3+])cs1 ZINC000415122083 487838445 /nfs/dbraw/zinc/83/84/45/487838445.db2.gz ZPKUUAMGFLYEBZ-UHFFFAOYSA-N 1 3 227.377 1.747 20 0 BDADHO CC(C)c1nc(CC[NH2+]CCCN)cs1 ZINC000415122083 487838449 /nfs/dbraw/zinc/83/84/49/487838449.db2.gz ZPKUUAMGFLYEBZ-UHFFFAOYSA-N 1 3 227.377 1.747 20 0 BDADHO CC(C)[C@@](C)(C[NH3+])NCCOC(F)F ZINC000852741663 588698324 /nfs/dbraw/zinc/69/83/24/588698324.db2.gz YVUQTAMYJOOFEC-SECBINFHSA-N 1 3 210.268 1.189 20 0 BDADHO [NH3+]CC[C@H]1CCCN(CCOC(F)F)C1 ZINC000852748441 588699552 /nfs/dbraw/zinc/69/95/52/588699552.db2.gz VVKHQWKKOYFRDJ-SECBINFHSA-N 1 3 222.279 1.286 20 0 BDADHO COC[C@H](C)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000253126518 487855488 /nfs/dbraw/zinc/85/54/88/487855488.db2.gz RLWNKAQYLLBYLB-HZSPNIEDSA-N 1 3 240.391 1.733 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000234691288 487856588 /nfs/dbraw/zinc/85/65/88/487856588.db2.gz DQKWXTDPTDQLAK-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+]CCCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000666689054 487860528 /nfs/dbraw/zinc/86/05/28/487860528.db2.gz XDXQFFLIUFEFNZ-CYBMUJFWSA-N 1 3 220.316 1.878 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000564456830 322957029 /nfs/dbraw/zinc/95/70/29/322957029.db2.gz ZSGTVUCMWVWNBK-VHSXEESVSA-N 1 3 247.342 1.145 20 0 BDADHO CC(C)([NH3+])CNC[C@@H]1CCOc2ccccc21 ZINC000666751860 487871792 /nfs/dbraw/zinc/87/17/92/487871792.db2.gz IYOIYHJCARVHFH-NSHDSACASA-N 1 3 234.343 1.880 20 0 BDADHO CC(C)[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000666770216 487877661 /nfs/dbraw/zinc/87/76/61/487877661.db2.gz PKDDYKOAJYXNEK-IHRRRGAJSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993843 487902025 /nfs/dbraw/zinc/90/20/25/487902025.db2.gz NXTKYPWVADBOKJ-IJLUTSLNSA-N 1 3 208.349 1.907 20 0 BDADHO Oc1cccc(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666950960 487913014 /nfs/dbraw/zinc/91/30/14/487913014.db2.gz UBZKMXMPVICAAP-CYBMUJFWSA-N 1 3 232.327 1.624 20 0 BDADHO COCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404296308 487917451 /nfs/dbraw/zinc/91/74/51/487917451.db2.gz NZYGJVJYSQZYJF-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO COCC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000404296308 487917454 /nfs/dbraw/zinc/91/74/54/487917454.db2.gz NZYGJVJYSQZYJF-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO COCCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404296308 487917458 /nfs/dbraw/zinc/91/74/58/487917458.db2.gz NZYGJVJYSQZYJF-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO C[C@@H](Cn1cccn1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995024 487924845 /nfs/dbraw/zinc/92/48/45/487924845.db2.gz AJPUQLYFYVDWIY-STQMWFEESA-N 1 3 248.374 1.536 20 0 BDADHO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000666995024 487924849 /nfs/dbraw/zinc/92/48/49/487924849.db2.gz AJPUQLYFYVDWIY-STQMWFEESA-N 1 3 248.374 1.536 20 0 BDADHO CC[NH2+]CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000561182825 322996613 /nfs/dbraw/zinc/99/66/13/322996613.db2.gz UGMRQQMCDHUPTE-ZDUSSCGKSA-N 1 3 249.358 1.192 20 0 BDADHO COC[C@H](C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570092895 323050010 /nfs/dbraw/zinc/05/00/10/323050010.db2.gz AVNRUJDLJLZNEM-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccoc1 ZINC000570153688 323051089 /nfs/dbraw/zinc/05/10/89/323051089.db2.gz YCRPOLCYFFUPCA-GFCCVEGCSA-N 1 3 237.347 1.226 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOCC1CCC1 ZINC000570389079 323058137 /nfs/dbraw/zinc/05/81/37/323058137.db2.gz OWHCBUHZWOMDQV-OLZOCXBDSA-N 1 3 226.364 1.520 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOCC1CCC1 ZINC000570389079 323058138 /nfs/dbraw/zinc/05/81/38/323058138.db2.gz OWHCBUHZWOMDQV-OLZOCXBDSA-N 1 3 226.364 1.520 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000567683544 323059744 /nfs/dbraw/zinc/05/97/44/323059744.db2.gz QRVXOGAZPKTSTG-NWDGAFQWSA-N 1 3 226.364 1.364 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](NCC2(O)CCC2)C1 ZINC000567683544 323059745 /nfs/dbraw/zinc/05/97/45/323059745.db2.gz QRVXOGAZPKTSTG-NWDGAFQWSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H]([NH2+]CCCNC(C)C)[C@@H]1CCOC1 ZINC000570562025 323063171 /nfs/dbraw/zinc/06/31/71/323063171.db2.gz HDLXEQIRPWFMDR-OLZOCXBDSA-N 1 3 228.380 1.779 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CSC)C1 ZINC000562984713 323078121 /nfs/dbraw/zinc/07/81/21/323078121.db2.gz FMFLQCHANWEYTF-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CSC)C1 ZINC000562984713 323078122 /nfs/dbraw/zinc/07/81/22/323078122.db2.gz FMFLQCHANWEYTF-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CSC)C1 ZINC000562984713 323078123 /nfs/dbraw/zinc/07/81/23/323078123.db2.gz FMFLQCHANWEYTF-NEPJUHHUSA-N 1 3 246.420 1.032 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)[C@H](C)O1 ZINC000563423633 323124335 /nfs/dbraw/zinc/12/43/35/323124335.db2.gz HRXLUPGPCDOHRH-NZEXEKPDSA-N 1 3 226.364 1.659 20 0 BDADHO CN(C)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000563429680 323125072 /nfs/dbraw/zinc/12/50/72/323125072.db2.gz KYRBGVAFJAIGHO-OLZOCXBDSA-N 1 3 248.374 1.507 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH+](C)C)[C@H](C)O1 ZINC000395014600 323185102 /nfs/dbraw/zinc/18/51/02/323185102.db2.gz NBFXKBCXZGOVLG-VWYCJHECSA-N 1 3 200.326 1.094 20 0 BDADHO COCCC1CCN([C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000530209404 323209380 /nfs/dbraw/zinc/20/93/80/323209380.db2.gz HENUZDRJAUKZOO-OCCSQVGLSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@H](NCC12CC(C1)CO2)[C@@H]1CCC[NH2+]C1 ZINC000530218331 323217611 /nfs/dbraw/zinc/21/76/11/323217611.db2.gz FMSDWQNSUOJTBO-GMKTYKIGSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CCCNC1 ZINC000530218331 323217614 /nfs/dbraw/zinc/21/76/14/323217614.db2.gz FMSDWQNSUOJTBO-GMKTYKIGSA-N 1 3 224.348 1.143 20 0 BDADHO CO[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000572497339 324134066 /nfs/dbraw/zinc/13/40/66/324134066.db2.gz LPQVIYNSHPYTGX-GRYCIOLGSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000530220018 324538114 /nfs/dbraw/zinc/53/81/14/324538114.db2.gz AYDQNHJYUZHNFU-UQPICLANSA-N 1 3 214.353 1.514 20 0 BDADHO C[C@H](CCC[NH3+])N[C@H]1Cc2ccccc2NC1=O ZINC000530224861 324544743 /nfs/dbraw/zinc/54/47/43/324544743.db2.gz MWNTVBCSLSBIEW-MFKMUULPSA-N 1 3 247.342 1.267 20 0 BDADHO C[C@@H](CN(C)C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000130157729 325018960 /nfs/dbraw/zinc/01/89/60/325018960.db2.gz MTROGMRTUGCPBV-TUAOUCFPSA-N 1 3 213.369 1.009 20 0 BDADHO CN(C)Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000130493204 325058115 /nfs/dbraw/zinc/05/81/15/325058115.db2.gz IELPFAOPXOTICH-UHFFFAOYSA-N 1 3 249.358 1.040 20 0 BDADHO C([NH2+][C@H]1CCC12CCOCC2)[C@H]1CCCNC1 ZINC000564791796 325809574 /nfs/dbraw/zinc/80/95/74/325809574.db2.gz HORZWISPGZLWIK-STQMWFEESA-N 1 3 238.375 1.535 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000565150551 325862383 /nfs/dbraw/zinc/86/23/83/325862383.db2.gz LSGPZEGNIUHOBA-ZDUSSCGKSA-N 1 3 241.379 1.091 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@H]2C[C@@H]2C(F)F)C1 ZINC000565430173 325910413 /nfs/dbraw/zinc/91/04/13/325910413.db2.gz CQTFCUVBAVTZIH-JBDRJPRFSA-N 1 3 204.264 1.500 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCC[C@H]2F)C1 ZINC000565549777 325927134 /nfs/dbraw/zinc/92/71/34/325927134.db2.gz RYMGLNWJUBUONJ-DBIOUOCHSA-N 1 3 200.301 1.737 20 0 BDADHO CC[N@@H+]1CC[C@H](N[C@@H]2CO[C@@H](C)C2)[C@@H](C)C1 ZINC000566216245 326016446 /nfs/dbraw/zinc/01/64/46/326016446.db2.gz XDIOLUBRNQEHKK-CYDGBPFRSA-N 1 3 226.364 1.484 20 0 BDADHO CC[N@H+]1CC[C@H](N[C@@H]2CO[C@@H](C)C2)[C@@H](C)C1 ZINC000566216245 326016448 /nfs/dbraw/zinc/01/64/48/326016448.db2.gz XDIOLUBRNQEHKK-CYDGBPFRSA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2cnc(N)s2)CC1 ZINC000566226142 326018288 /nfs/dbraw/zinc/01/82/88/326018288.db2.gz YQXKMDZOWYNVNE-MRVPVSSYSA-N 1 3 240.376 1.115 20 0 BDADHO CC[NH+](CC)CCCN1CCNC[C@H]1C(F)F ZINC000567235511 326146484 /nfs/dbraw/zinc/14/64/84/326146484.db2.gz NARFBKPMBSPFIM-NSHDSACASA-N 1 3 249.349 1.257 20 0 BDADHO COCCC[C@@H](C)[NH2+]CCCNC(C)C ZINC000567639073 326236138 /nfs/dbraw/zinc/23/61/38/326236138.db2.gz QIJRIZFQKCAVAC-GFCCVEGCSA-N 1 3 216.369 1.779 20 0 BDADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000567837949 326267146 /nfs/dbraw/zinc/26/71/46/326267146.db2.gz DOSGOMTYFMKLFW-RYUDHWBXSA-N 1 3 241.379 1.103 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000568864492 326379863 /nfs/dbraw/zinc/37/98/63/326379863.db2.gz BGOBVPDEHHFTDY-MFKMUULPSA-N 1 3 247.342 1.390 20 0 BDADHO Cc1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000569228142 326396328 /nfs/dbraw/zinc/39/63/28/326396328.db2.gz IGGLIGICCVQAIJ-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)cn1 ZINC000569228142 326396329 /nfs/dbraw/zinc/39/63/29/326396329.db2.gz IGGLIGICCVQAIJ-IUODEOHRSA-N 1 3 247.386 1.910 20 0 BDADHO C[N@H+](CCCN)C[C@@H]1CCOc2ccccc21 ZINC000158990899 487985455 /nfs/dbraw/zinc/98/54/55/487985455.db2.gz OHOMVCNIBPZQRT-LBPRGKRZSA-N 1 3 234.343 1.833 20 0 BDADHO C[N@@H+](CCCN)C[C@@H]1CCOc2ccccc21 ZINC000158990899 487985458 /nfs/dbraw/zinc/98/54/58/487985458.db2.gz OHOMVCNIBPZQRT-LBPRGKRZSA-N 1 3 234.343 1.833 20 0 BDADHO CC[C@@H](C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682074986 487989705 /nfs/dbraw/zinc/98/97/05/487989705.db2.gz ZLDAVZOBNKKBPF-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H](C)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682074986 487989710 /nfs/dbraw/zinc/98/97/10/487989710.db2.gz ZLDAVZOBNKKBPF-KGLIPLIRSA-N 1 3 239.407 1.497 20 0 BDADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)CO ZINC000135082298 488013753 /nfs/dbraw/zinc/01/37/53/488013753.db2.gz GLLLMQMEFQCJKF-STQMWFEESA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000229966947 488015942 /nfs/dbraw/zinc/01/59/42/488015942.db2.gz VTIFRUBFSBJSOY-FVCCEPFGSA-N 1 3 226.364 1.268 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)CC(C)(C)[NH3+] ZINC000084182640 488034049 /nfs/dbraw/zinc/03/40/49/488034049.db2.gz VVOVIHPQEUJPBT-UHFFFAOYSA-N 1 3 243.395 1.160 20 0 BDADHO CNCc1cccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000669509260 488108827 /nfs/dbraw/zinc/10/88/27/488108827.db2.gz VWNSTDKCOCIONG-MFKMUULPSA-N 1 3 247.342 1.343 20 0 BDADHO NCc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000669508355 488109369 /nfs/dbraw/zinc/10/93/69/488109369.db2.gz NSOANRKHPKFAJX-VXGBXAGGSA-N 1 3 247.342 1.601 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792812 488122439 /nfs/dbraw/zinc/12/24/39/488122439.db2.gz JYHIIETUSBQHAU-BNOWGMLFSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792812 488122443 /nfs/dbraw/zinc/12/24/43/488122443.db2.gz JYHIIETUSBQHAU-BNOWGMLFSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667792812 488122448 /nfs/dbraw/zinc/12/24/48/488122448.db2.gz JYHIIETUSBQHAU-BNOWGMLFSA-N 1 3 238.375 1.485 20 0 BDADHO CN(C(=O)CCC(C)(C)[NH3+])C1CCN(C)CC1 ZINC000070086511 487537952 /nfs/dbraw/zinc/53/79/52/487537952.db2.gz HMIHSDVZSZZJGD-UHFFFAOYSA-N 1 3 241.379 1.057 20 0 BDADHO CCC[NH+]1CCC(N(C)C[C@H](C)CO)CC1 ZINC000121133933 490077020 /nfs/dbraw/zinc/07/70/20/490077020.db2.gz DEHKDNPKYWTONO-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CN(C)C[C@@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC000070088424 487547832 /nfs/dbraw/zinc/54/78/32/487547832.db2.gz FXYZEPUREQDQKK-NSHDSACASA-N 1 3 241.379 1.057 20 0 BDADHO C[NH+]1CCC([C@H]2CCN(Cc3cn[nH]c3)C2)CC1 ZINC000685462819 487530534 /nfs/dbraw/zinc/53/05/34/487530534.db2.gz MQPQZGULLOQQOZ-AWEZNQCLSA-N 1 3 248.374 1.573 20 0 BDADHO C[C@@H]1CC[C@H](CN2CC[C@@H]([NH3+])C[C@@H]2C)O1 ZINC000227061060 487491503 /nfs/dbraw/zinc/49/15/03/487491503.db2.gz LVMUFSPIZVWESH-IRCOFANPSA-N 1 3 212.337 1.366 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662257607 487493751 /nfs/dbraw/zinc/49/37/51/487493751.db2.gz DYNTWWBBJDSQHD-TUAOUCFPSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662257607 487493757 /nfs/dbraw/zinc/49/37/57/487493757.db2.gz DYNTWWBBJDSQHD-TUAOUCFPSA-N 1 3 224.348 1.380 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H](C)C1CC1 ZINC000381031937 487493748 /nfs/dbraw/zinc/49/37/48/487493748.db2.gz DMAPIFOYUSIELJ-YPMHNXCESA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C1CC1 ZINC000381031937 487493753 /nfs/dbraw/zinc/49/37/53/487493753.db2.gz DMAPIFOYUSIELJ-YPMHNXCESA-N 1 3 228.380 1.418 20 0 BDADHO COCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086403751 487500963 /nfs/dbraw/zinc/50/09/63/487500963.db2.gz NGGREKFTHFPBCG-GHMZBOCLSA-N 1 3 200.326 1.273 20 0 BDADHO [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCCN2)c1 ZINC000169815785 487508429 /nfs/dbraw/zinc/50/84/29/487508429.db2.gz WLYBAARZFQXJOG-LBPRGKRZSA-N 1 3 233.315 1.226 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCCC[C@@H]1C ZINC000379889107 488155013 /nfs/dbraw/zinc/15/50/13/488155013.db2.gz ADRDSKJYWXIRQL-UONOGXRCSA-N 1 3 242.407 1.952 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCCC[C@@H]1C ZINC000379889107 488155014 /nfs/dbraw/zinc/15/50/14/488155014.db2.gz ADRDSKJYWXIRQL-UONOGXRCSA-N 1 3 242.407 1.952 20 0 BDADHO CCOCCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000390590269 488168797 /nfs/dbraw/zinc/16/87/97/488168797.db2.gz SEAMYCZTOPDPJH-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO CCOCCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000390590269 488168802 /nfs/dbraw/zinc/16/88/02/488168802.db2.gz SEAMYCZTOPDPJH-STQMWFEESA-N 1 3 226.364 1.474 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC000403799449 487889203 /nfs/dbraw/zinc/88/92/03/487889203.db2.gz DYKNGEOJCKJKGV-REWJHTLYSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CCN1C ZINC000397780384 488149328 /nfs/dbraw/zinc/14/93/28/488149328.db2.gz ORKLILSFYLHUBB-NWDGAFQWSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC000230745399 488150339 /nfs/dbraw/zinc/15/03/39/488150339.db2.gz YUFSOXGFYOSGNG-VXGBXAGGSA-N 1 3 236.363 1.022 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CC1CCOCC1)C2 ZINC000379839096 488153292 /nfs/dbraw/zinc/15/32/92/488153292.db2.gz ZYLODVWXZHJPPI-KBPBESRZSA-N 1 3 238.375 1.474 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CC1CCOCC1)C2 ZINC000379839096 488153295 /nfs/dbraw/zinc/15/32/95/488153295.db2.gz ZYLODVWXZHJPPI-KBPBESRZSA-N 1 3 238.375 1.474 20 0 BDADHO CN(C)Cc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000398152672 488212961 /nfs/dbraw/zinc/21/29/61/488212961.db2.gz HDBARZIJXNHAMI-UHFFFAOYSA-N 1 3 247.342 1.568 20 0 BDADHO CN(Cc1cn[nH]c1)CC1CC[NH+](C)CC1 ZINC000678238675 488222854 /nfs/dbraw/zinc/22/28/54/488222854.db2.gz CDDCZALORCYCQE-UHFFFAOYSA-N 1 3 222.336 1.183 20 0 BDADHO c1cc2cccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)c2[nH]1 ZINC000678342922 488243279 /nfs/dbraw/zinc/24/32/79/488243279.db2.gz HQCHLYCVBBIYAQ-KBPBESRZSA-N 1 3 241.338 1.819 20 0 BDADHO COCC(C)(C)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396721986 490220456 /nfs/dbraw/zinc/22/04/56/490220456.db2.gz WNZVTHGMNSXTOY-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000086402618 490414518 /nfs/dbraw/zinc/41/45/18/490414518.db2.gz YMYTZHFKQOGAMO-NEPJUHHUSA-N 1 3 222.336 1.133 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000125477371 490436303 /nfs/dbraw/zinc/43/63/03/490436303.db2.gz APCWHHAHDHABCF-OLZOCXBDSA-N 1 3 240.391 1.789 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCC2(CO)CCCCC2)C1 ZINC000125477371 490436313 /nfs/dbraw/zinc/43/63/13/490436313.db2.gz APCWHHAHDHABCF-OLZOCXBDSA-N 1 3 240.391 1.789 20 0 BDADHO CC[C@@H]1C[N@@H+]([C@H](C)CCOC)CC[C@H]1N ZINC000251793298 491080505 /nfs/dbraw/zinc/08/05/05/491080505.db2.gz NRTYXJHIPUHBGY-IJLUTSLNSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1C[N@H+]([C@H](C)CCOC)CC[C@H]1N ZINC000251793298 491080506 /nfs/dbraw/zinc/08/05/06/491080506.db2.gz NRTYXJHIPUHBGY-IJLUTSLNSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@@H]1CN([C@H](C)CCOC)CC[C@H]1[NH3+] ZINC000251793298 491080507 /nfs/dbraw/zinc/08/05/07/491080507.db2.gz NRTYXJHIPUHBGY-IJLUTSLNSA-N 1 3 214.353 1.471 20 0 BDADHO Cc1cccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000090320632 491124435 /nfs/dbraw/zinc/12/44/35/491124435.db2.gz VLTOXGJKLZXXNQ-HUUCEWRRSA-N 1 3 230.355 1.955 20 0 BDADHO CCOCCCN1CCC(C)([NH3+])CC1 ZINC000309126939 491129064 /nfs/dbraw/zinc/12/90/64/491129064.db2.gz QBEQTXFEGSNAAP-UHFFFAOYSA-N 1 3 200.326 1.226 20 0 BDADHO CC[C@@H]1COCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261533656 535834226 /nfs/dbraw/zinc/83/42/26/535834226.db2.gz JJWPHLROIHTELN-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000495108819 528367558 /nfs/dbraw/zinc/36/75/58/528367558.db2.gz DBUQEAMRLSJIIC-RYUDHWBXSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@H]1CCCN(C(C)(C)CNC(N)=[NH2+])C1 ZINC000304052644 529216569 /nfs/dbraw/zinc/21/65/69/529216569.db2.gz LHLQBZMMIJVXJN-JTQLQIEISA-N 1 3 226.368 1.370 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000167203039 535653879 /nfs/dbraw/zinc/65/38/79/535653879.db2.gz YGLKODRVZILGKG-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000167203039 535653881 /nfs/dbraw/zinc/65/38/81/535653881.db2.gz YGLKODRVZILGKG-VXGBXAGGSA-N 1 3 243.395 1.206 20 0 BDADHO CC[NH+](CC)[C@@H](CNC(=O)CNC)CC(C)C ZINC000164407853 535654468 /nfs/dbraw/zinc/65/44/68/535654468.db2.gz VZLCURDEHRZDIZ-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO CCSCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000252696685 535684977 /nfs/dbraw/zinc/68/49/77/535684977.db2.gz BUYKMHWTIYKDDE-ZJUUUORDSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000252696685 535684980 /nfs/dbraw/zinc/68/49/80/535684980.db2.gz BUYKMHWTIYKDDE-ZJUUUORDSA-N 1 3 202.367 1.409 20 0 BDADHO CCSCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000252696685 535684983 /nfs/dbraw/zinc/68/49/83/535684983.db2.gz BUYKMHWTIYKDDE-ZJUUUORDSA-N 1 3 202.367 1.409 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091297 535813631 /nfs/dbraw/zinc/81/36/31/535813631.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091297 535813632 /nfs/dbraw/zinc/81/36/32/535813632.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091297 535813633 /nfs/dbraw/zinc/81/36/33/535813633.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091297 535813634 /nfs/dbraw/zinc/81/36/34/535813634.db2.gz NETAXUXTSYKSQU-JHJVBQTASA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@](C)(O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249309649 536002898 /nfs/dbraw/zinc/00/28/98/536002898.db2.gz DNJLPYQXCCNXQR-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@](C)(O)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249309649 536002903 /nfs/dbraw/zinc/00/29/03/536002903.db2.gz DNJLPYQXCCNXQR-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@@](C)(O)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249309649 536002908 /nfs/dbraw/zinc/00/29/08/536002908.db2.gz DNJLPYQXCCNXQR-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703315 536098745 /nfs/dbraw/zinc/09/87/45/536098745.db2.gz UJDVILIIVPKLJE-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703315 536098749 /nfs/dbraw/zinc/09/87/49/536098749.db2.gz UJDVILIIVPKLJE-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](CCO)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252703315 536098753 /nfs/dbraw/zinc/09/87/53/536098753.db2.gz UJDVILIIVPKLJE-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[N@H+](CCC1CCCCC1)C[C@@H](O)CN ZINC000258773049 536322897 /nfs/dbraw/zinc/32/28/97/536322897.db2.gz BCVNVAAXGHYJBC-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO C[N@@H+](CCC1CCCCC1)C[C@@H](O)CN ZINC000258773049 536322899 /nfs/dbraw/zinc/32/28/99/536322899.db2.gz BCVNVAAXGHYJBC-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO CN(CCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000258773049 536322901 /nfs/dbraw/zinc/32/29/01/536322901.db2.gz BCVNVAAXGHYJBC-LBPRGKRZSA-N 1 3 214.353 1.208 20 0 BDADHO CN(CCC[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000227745532 536342383 /nfs/dbraw/zinc/34/23/83/536342383.db2.gz WPXPKEXSJKMIPW-CQSZACIVSA-N 1 3 218.344 1.825 20 0 BDADHO C[N@H+](CCCN)[C@@H]1CCc2ccccc2C1 ZINC000227745532 536342385 /nfs/dbraw/zinc/34/23/85/536342385.db2.gz WPXPKEXSJKMIPW-CQSZACIVSA-N 1 3 218.344 1.825 20 0 BDADHO C[N@@H+](CCCN)[C@@H]1CCc2ccccc2C1 ZINC000227745532 536342387 /nfs/dbraw/zinc/34/23/87/536342387.db2.gz WPXPKEXSJKMIPW-CQSZACIVSA-N 1 3 218.344 1.825 20 0 BDADHO CO[C@@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000261975429 536514252 /nfs/dbraw/zinc/51/42/52/536514252.db2.gz FTUCYSMDRGAKGI-NEPJUHHUSA-N 1 3 212.337 1.143 20 0 BDADHO COCCCN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500634 536589872 /nfs/dbraw/zinc/58/98/72/536589872.db2.gz FCPMHAXNEHBALT-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO CN1CCC(O)(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348105154 566264948 /nfs/dbraw/zinc/26/49/48/566264948.db2.gz FSOXVFMBKOTXLC-STQMWFEESA-N 1 3 238.375 1.221 20 0 BDADHO CC(C)[C@H](N)CC[NH2+]C[C@H]1CCCOC1 ZINC000853247435 588729024 /nfs/dbraw/zinc/72/90/24/588729024.db2.gz PJCUUANPKRTIJW-VXGBXAGGSA-N 1 3 214.353 1.376 20 0 BDADHO C1=C[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000854221804 588780405 /nfs/dbraw/zinc/78/04/05/588780405.db2.gz VRUNRWJBEAEJNI-REWJHTLYSA-N 1 3 236.359 1.452 20 0 BDADHO C[C@@H](CNc1cc(N)ncc1Cl)[NH+](C)C ZINC000892027772 582765152 /nfs/dbraw/zinc/76/51/52/582765152.db2.gz JDVXTFMYINWGDP-ZETCQYMHSA-N 1 3 228.727 1.679 20 0 BDADHO C[C@@H]1CSCC[N@H+]1CC1CCN(C)CC1 ZINC000892046102 582771306 /nfs/dbraw/zinc/77/13/06/582771306.db2.gz NLMGGZFYDFLLBC-LLVKDONJSA-N 1 3 228.405 1.766 20 0 BDADHO C[C@@H]1CSCC[N@@H+]1CC1CCN(C)CC1 ZINC000892046102 582771303 /nfs/dbraw/zinc/77/13/03/582771303.db2.gz NLMGGZFYDFLLBC-LLVKDONJSA-N 1 3 228.405 1.766 20 0 BDADHO C[NH+]1CCC(CN2CCOC[C@H]2C2CC2)CC1 ZINC000892106097 582792754 /nfs/dbraw/zinc/79/27/54/582792754.db2.gz UERFTPMHVMVODW-AWEZNQCLSA-N 1 3 238.375 1.439 20 0 BDADHO C[C@H](CNC(=[NH2+])N1CCC1)N1CCC[C@@H](C)C1 ZINC000848986960 582817826 /nfs/dbraw/zinc/81/78/26/582817826.db2.gz BREVXVCFWDEHMO-VXGBXAGGSA-N 1 3 238.379 1.337 20 0 BDADHO C/C=C\C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893660811 583189726 /nfs/dbraw/zinc/18/97/26/583189726.db2.gz KSLIKMSZOJKPND-GSBQVRRJSA-N 1 3 238.375 1.528 20 0 BDADHO C/C=C\C[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893660811 583189727 /nfs/dbraw/zinc/18/97/27/583189727.db2.gz KSLIKMSZOJKPND-GSBQVRRJSA-N 1 3 238.375 1.528 20 0 BDADHO CC[C@]1(CO)CCC[N@@H+]1CC1CCN(C)CC1 ZINC000893908205 583248845 /nfs/dbraw/zinc/24/88/45/583248845.db2.gz OXGSGIRDXYJAQT-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@]1(CO)CCC[N@H+]1CC1CCN(C)CC1 ZINC000893908205 583248847 /nfs/dbraw/zinc/24/88/47/583248847.db2.gz OXGSGIRDXYJAQT-CQSZACIVSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1COC(C)(C)CN1CC1CC[NH+](C)CC1 ZINC000894010019 583271459 /nfs/dbraw/zinc/27/14/59/583271459.db2.gz RGXOYKOJAZPFFJ-LBPRGKRZSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1C[C@@H]1C[NH2+]CCCN1CCCN(C)CC1 ZINC000894377756 583442120 /nfs/dbraw/zinc/44/21/20/583442120.db2.gz FWZZOIKECRLHAT-ZIAGYGMSSA-N 1 3 239.407 1.260 20 0 BDADHO COC[C@@]1(C)CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894671742 583504121 /nfs/dbraw/zinc/50/41/21/583504121.db2.gz QOOCYUYKELQHHD-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@@]1(C)CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894671742 583504123 /nfs/dbraw/zinc/50/41/23/583504123.db2.gz QOOCYUYKELQHHD-AWEZNQCLSA-N 1 3 240.391 1.687 20 0 BDADHO C[N@H+](CCCCNCc1c[nH]cn1)C1CC1 ZINC000894968000 583560657 /nfs/dbraw/zinc/56/06/57/583560657.db2.gz RYEOOIVKXXHBJW-UHFFFAOYSA-N 1 3 222.336 1.374 20 0 BDADHO C[N@@H+](CCCCNCc1c[nH]cn1)C1CC1 ZINC000894968000 583560660 /nfs/dbraw/zinc/56/06/60/583560660.db2.gz RYEOOIVKXXHBJW-UHFFFAOYSA-N 1 3 222.336 1.374 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(c3ccncc3CO)CC[C@@H]21 ZINC000895022065 583569521 /nfs/dbraw/zinc/56/95/21/583569521.db2.gz JYDGGGJQCVRBSZ-AAEUAGOBSA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@H]2CN(c3ccncc3CO)CC[C@@H]21 ZINC000895022065 583569522 /nfs/dbraw/zinc/56/95/22/583569522.db2.gz JYDGGGJQCVRBSZ-AAEUAGOBSA-N 1 3 247.342 1.104 20 0 BDADHO C[NH+](C)CCCCN[C@H]1CCCc2c[nH]nc21 ZINC000857851942 588912734 /nfs/dbraw/zinc/91/27/34/588912734.db2.gz SSLHKWCLQIUOKW-LBPRGKRZSA-N 1 3 236.363 1.719 20 0 BDADHO CN1CCC(C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000895451045 583676552 /nfs/dbraw/zinc/67/65/52/583676552.db2.gz SCOAUXALXKJPAO-UHFFFAOYSA-N 1 3 224.348 1.051 20 0 BDADHO CN1CCC(C[N@H+]2CCC3(COC3)C2)CC1 ZINC000895451045 583676554 /nfs/dbraw/zinc/67/65/54/583676554.db2.gz SCOAUXALXKJPAO-UHFFFAOYSA-N 1 3 224.348 1.051 20 0 BDADHO CN1CCC(C[NH+]2CCC(F)CC2)CC1 ZINC000896000638 583760210 /nfs/dbraw/zinc/76/02/10/583760210.db2.gz VFUYWLQXOVQRFS-UHFFFAOYSA-N 1 3 214.328 1.762 20 0 BDADHO CC(C)N1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000020188973 583908447 /nfs/dbraw/zinc/90/84/47/583908447.db2.gz RRCHDIHFKWFWJB-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H](CCCCO)[NH2+]CC1=CCN(C)CC1 ZINC000393737187 583920258 /nfs/dbraw/zinc/92/02/58/583920258.db2.gz AQGKRUYKHZHLNT-LBPRGKRZSA-N 1 3 226.364 1.389 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840928 584053332 /nfs/dbraw/zinc/05/33/32/584053332.db2.gz JORIJCPRGBQJCO-ATWGWHJKSA-N 1 3 238.375 1.362 20 0 BDADHO C[N@H+]1CC[C@H](N[C@H]2CC23CC(O)C3)CC1(C)C ZINC000897840928 584053333 /nfs/dbraw/zinc/05/33/33/584053333.db2.gz JORIJCPRGBQJCO-ATWGWHJKSA-N 1 3 238.375 1.362 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840934 584053659 /nfs/dbraw/zinc/05/36/59/584053659.db2.gz JORIJCPRGBQJCO-WDBLDGLGSA-N 1 3 238.375 1.362 20 0 BDADHO C[N@H+]1CC[C@H](N[C@@H]2CC23CC(O)C3)CC1(C)C ZINC000897840934 584053660 /nfs/dbraw/zinc/05/36/60/584053660.db2.gz JORIJCPRGBQJCO-WDBLDGLGSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H]1C[C@@H](Nc2ccnc(CO)c2)CC[N@@H+]1C ZINC000858423317 588953149 /nfs/dbraw/zinc/95/31/49/588953149.db2.gz CRWQHHQKAJDRRW-PWSUYJOCSA-N 1 3 235.331 1.469 20 0 BDADHO C[C@@H]1C[C@@H](Nc2ccnc(CO)c2)CC[N@H+]1C ZINC000858423317 588953150 /nfs/dbraw/zinc/95/31/50/588953150.db2.gz CRWQHHQKAJDRRW-PWSUYJOCSA-N 1 3 235.331 1.469 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873282259 584129131 /nfs/dbraw/zinc/12/91/31/584129131.db2.gz SIZNVAMONOLIMY-IEECTRCBSA-N 1 3 226.364 1.659 20 0 BDADHO C[C@H](CCO)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000858490083 588960258 /nfs/dbraw/zinc/96/02/58/588960258.db2.gz AXOUBGPBPJTZEJ-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@@H](CNC(=[NH2+])N[C@@H](C)C1CC1)N1CCCC1 ZINC000899266752 584190115 /nfs/dbraw/zinc/19/01/15/584190115.db2.gz XDVYWGKVPNWTIT-QWRGUYRKSA-N 1 3 238.379 1.383 20 0 BDADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899263756 584191060 /nfs/dbraw/zinc/19/10/60/584191060.db2.gz MWUDEOBIUMCXKL-CMPLNLGQSA-N 1 3 238.379 1.383 20 0 BDADHO C[C@@H](NC(=[NH2+])NCCN1CC[C@H](C)C1)C1CC1 ZINC000899267645 584193075 /nfs/dbraw/zinc/19/30/75/584193075.db2.gz RAKJFNDXXCNUQQ-WDEREUQCSA-N 1 3 238.379 1.241 20 0 BDADHO CCC[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320221 584552266 /nfs/dbraw/zinc/55/22/66/584552266.db2.gz OYVSEJJGJLLEPH-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@@H](O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902320221 584552268 /nfs/dbraw/zinc/55/22/68/584552268.db2.gz OYVSEJJGJLLEPH-NWDGAFQWSA-N 1 3 228.380 1.515 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000902338834 584556857 /nfs/dbraw/zinc/55/68/57/584556857.db2.gz XZFHEEYESODGKM-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](C[C@H](C)O)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902371747 584566505 /nfs/dbraw/zinc/56/65/05/584566505.db2.gz UOYCUDGQOMJBRR-WOPDTQHZSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@H](C[C@H](C)O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902371747 584566509 /nfs/dbraw/zinc/56/65/09/584566509.db2.gz UOYCUDGQOMJBRR-WOPDTQHZSA-N 1 3 228.380 1.514 20 0 BDADHO C[C@@H](CO)CCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902372665 584566698 /nfs/dbraw/zinc/56/66/98/584566698.db2.gz UHMPENNAXMWOIJ-OLZOCXBDSA-N 1 3 242.407 1.763 20 0 BDADHO CC1(C)[C@@H](O)C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376325 584567948 /nfs/dbraw/zinc/56/79/48/584567948.db2.gz JGZWSFGMNLBASF-SRVKXCTJSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)C(C)(C)O ZINC000902388400 584579611 /nfs/dbraw/zinc/57/96/11/584579611.db2.gz PKQYKKSJPLAGOM-NEPJUHHUSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)O1 ZINC000902390032 584581117 /nfs/dbraw/zinc/58/11/17/584581117.db2.gz FSCPPWAOCNERAK-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NCC2=CCOCC2)C1 ZINC000902389781 584581186 /nfs/dbraw/zinc/58/11/86/584581186.db2.gz YINTUEBRGVLTLY-CYBMUJFWSA-N 1 3 238.375 1.701 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902391481 584582215 /nfs/dbraw/zinc/58/22/15/584582215.db2.gz XOYPZQRBSKUMQX-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCNCC(C)(C)C2)C1 ZINC000902391481 584582217 /nfs/dbraw/zinc/58/22/17/584582217.db2.gz XOYPZQRBSKUMQX-RWMBFGLXSA-N 1 3 240.391 1.922 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CC23CC3)C1 ZINC000902395140 584584279 /nfs/dbraw/zinc/58/42/79/584584279.db2.gz ZRUCSDWAILKVLT-QWRGUYRKSA-N 1 3 208.349 1.907 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCNCC(C)(C)C2)C1 ZINC000902394806 584584426 /nfs/dbraw/zinc/58/44/26/584584426.db2.gz DKVFFRWUYWOXOX-RWMBFGLXSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](Cc1cccs1)NCC1([NH3+])CC1 ZINC000902415830 584590696 /nfs/dbraw/zinc/59/06/96/584590696.db2.gz KQAUOPDRDFBUFW-SECBINFHSA-N 1 3 210.346 1.760 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000902432719 584595362 /nfs/dbraw/zinc/59/53/62/584595362.db2.gz WVEJIXPCZSFCJX-DJIHRAIXSA-N 1 3 226.364 1.659 20 0 BDADHO CCC1(CC)[C@H](NCC2([NH3+])CC2)C[C@@H]1OC ZINC000902414042 584599860 /nfs/dbraw/zinc/59/98/60/584599860.db2.gz RATFZZAFCJJPPS-MNOVXSKESA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](CCCCO)[NH2+][C@H]1CNCC1(C)C ZINC000902449466 584605961 /nfs/dbraw/zinc/60/59/61/584605961.db2.gz OUSBHBJGWHEQBT-MNOVXSKESA-N 1 3 214.353 1.125 20 0 BDADHO COC[C@H](CCC[NH3+])N[C@H](C)c1cncs1 ZINC000902454479 584608940 /nfs/dbraw/zinc/60/89/40/584608940.db2.gz HWIOAYFIDOOZPK-ZJUUUORDSA-N 1 3 243.376 1.548 20 0 BDADHO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902464264 584613557 /nfs/dbraw/zinc/61/35/57/584613557.db2.gz AWJMYYYNLJTCQN-RYMFRWLXSA-N 1 3 238.375 1.673 20 0 BDADHO COC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)C1CCCC1 ZINC000902466244 584613810 /nfs/dbraw/zinc/61/38/10/584613810.db2.gz KYLLOXHYJFFDQL-RQJABVFESA-N 1 3 238.375 1.674 20 0 BDADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902469226 584615305 /nfs/dbraw/zinc/61/53/05/584615305.db2.gz ZHLKRBOALATZSU-QNWJLWSRSA-N 1 3 208.349 1.904 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902471232 584616212 /nfs/dbraw/zinc/61/62/12/584616212.db2.gz KQBDHXUECULBAZ-YBXAARCKSA-N 1 3 210.321 1.036 20 0 BDADHO C1CC1[C@@H]1CC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470257 584616314 /nfs/dbraw/zinc/61/63/14/584616314.db2.gz VNFWWUHNTLXKQT-KIJLLGNVSA-N 1 3 206.333 1.658 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902471230 584616389 /nfs/dbraw/zinc/61/63/89/584616389.db2.gz KQBDHXUECULBAZ-KKJSVHSVSA-N 1 3 210.321 1.036 20 0 BDADHO CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470390 584616917 /nfs/dbraw/zinc/61/69/17/584616917.db2.gz WIEBLKPKJPFEFO-DGAVXFQQSA-N 1 3 248.374 1.390 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902502885 584620550 /nfs/dbraw/zinc/62/05/50/584620550.db2.gz HEIVZNXYAKKGEN-AVGNSLFASA-N 1 3 226.364 1.255 20 0 BDADHO CC1(C)C[NH2+]CC[C@H](NCC[C@@H](O)C2CC2)C1 ZINC000902501457 584620625 /nfs/dbraw/zinc/62/06/25/584620625.db2.gz BJZNXFRBKSHWCK-QWHCGFSZSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)CNCC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000902501457 584620626 /nfs/dbraw/zinc/62/06/26/584620626.db2.gz BJZNXFRBKSHWCK-QWHCGFSZSA-N 1 3 240.391 1.515 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCCCN1 ZINC000902482995 584623986 /nfs/dbraw/zinc/62/39/86/584623986.db2.gz ONEYNNYPFQHRFV-TUAOUCFPSA-N 1 3 214.353 1.532 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCCCN1 ZINC000902482994 584624231 /nfs/dbraw/zinc/62/42/31/584624231.db2.gz ONEYNNYPFQHRFV-QJPTWQEYSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccccn1 ZINC000902487117 584626284 /nfs/dbraw/zinc/62/62/84/584626284.db2.gz JTLPISRWHWXPNA-GMTAPVOTSA-N 1 3 205.305 1.470 20 0 BDADHO CCn1ccnc1[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487343 584626802 /nfs/dbraw/zinc/62/68/02/584626802.db2.gz TXASXLUEQCZZEV-DCAQKATOSA-N 1 3 222.336 1.291 20 0 BDADHO Cc1ncccc1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000902514165 584629600 /nfs/dbraw/zinc/62/96/00/584629600.db2.gz RJQRHBJGVACJNK-QWHCGFSZSA-N 1 3 219.332 1.402 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1O ZINC000902517014 584630209 /nfs/dbraw/zinc/63/02/09/584630209.db2.gz GCGMTLMIKICLBZ-FAAHXZRKSA-N 1 3 246.354 1.362 20 0 BDADHO N[C@@H]1CCCCC[C@H]1[NH2+]C/C=C\Cl ZINC000902518136 584630824 /nfs/dbraw/zinc/63/08/24/584630824.db2.gz KXCQDYQBPHESMJ-UFUMDNBCSA-N 1 3 202.729 1.989 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2COC[C@@H]2C2CC2)C1 ZINC000902522023 584631642 /nfs/dbraw/zinc/63/16/42/584631642.db2.gz VEWZLXYNGAESFD-YVECIDJPSA-N 1 3 224.348 1.271 20 0 BDADHO CC(C)(C)[C@H](C[NH3+])NCCOC1CC1 ZINC000903455086 584773184 /nfs/dbraw/zinc/77/31/84/584773184.db2.gz PNYUIERNZNIEQR-JTQLQIEISA-N 1 3 200.326 1.128 20 0 BDADHO C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)OC1CC1 ZINC000903454450 584773465 /nfs/dbraw/zinc/77/34/65/584773465.db2.gz ZWSXQYQELAFJEZ-JSGCOSHPSA-N 1 3 238.375 1.629 20 0 BDADHO COC[C@H](C[NH2+][C@@H]1CCNC12CCC2)C(C)C ZINC000903470426 584774739 /nfs/dbraw/zinc/77/47/39/584774739.db2.gz BLWUGEBKONUVCG-QWHCGFSZSA-N 1 3 240.391 1.779 20 0 BDADHO CC1CC(CN2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000903744385 584796490 /nfs/dbraw/zinc/79/64/90/584796490.db2.gz RMSZICUPDYYZBQ-WXRRBKDZSA-N 1 3 208.349 1.718 20 0 BDADHO NCCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000903825704 584804712 /nfs/dbraw/zinc/80/47/12/584804712.db2.gz CPSLQPLZJGPEMU-NSHDSACASA-N 1 3 214.378 1.553 20 0 BDADHO NCCC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000903825704 584804714 /nfs/dbraw/zinc/80/47/14/584804714.db2.gz CPSLQPLZJGPEMU-NSHDSACASA-N 1 3 214.378 1.553 20 0 BDADHO [NH3+]CCCN1CCCSC[C@H]1C1CC1 ZINC000903825704 584804715 /nfs/dbraw/zinc/80/47/15/584804715.db2.gz CPSLQPLZJGPEMU-NSHDSACASA-N 1 3 214.378 1.553 20 0 BDADHO [NH3+]C[C@@]12CC[C@@H]1CCN2CCCCCCO ZINC000903857446 584809945 /nfs/dbraw/zinc/80/99/45/584809945.db2.gz VHJLBKXALSRGQB-OLZOCXBDSA-N 1 3 226.364 1.352 20 0 BDADHO CO[C@H](CN1CC[C@@H]2CC[C@@]21C[NH3+])C1CCC1 ZINC000903859845 584811066 /nfs/dbraw/zinc/81/10/66/584811066.db2.gz OZQYDALPEKYYTA-BFHYXJOUSA-N 1 3 238.375 1.615 20 0 BDADHO CO[C@H]1C[C@@H](CN2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000903860990 584812479 /nfs/dbraw/zinc/81/24/79/584812479.db2.gz VERDMQJFKHRPRN-WUHRBBMRSA-N 1 3 224.348 1.225 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+]CCC(C)(C)N)CCO1 ZINC000903939182 584823427 /nfs/dbraw/zinc/82/34/27/584823427.db2.gz SXZKUJBQOHUALU-RYUDHWBXSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+][C@@H](CNCCc1ccccc1)CC(F)F ZINC000903923556 584823597 /nfs/dbraw/zinc/82/35/97/584823597.db2.gz XASGFAZNEYLYAB-LLVKDONJSA-N 1 3 228.286 1.801 20 0 BDADHO COC[C@@H](C)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903959909 584827411 /nfs/dbraw/zinc/82/74/11/584827411.db2.gz RPMCFGJTLHBBJR-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO Nc1ccnc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000903954778 584832037 /nfs/dbraw/zinc/83/20/37/584832037.db2.gz VJLBNYJVTFYQDH-ONGXEEELSA-N 1 3 220.320 1.023 20 0 BDADHO C[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CNC[C@H]1C ZINC000903964791 584834408 /nfs/dbraw/zinc/83/44/08/584834408.db2.gz VYZQKMPZTJKNQH-HRDYMLBCSA-N 1 3 224.270 1.915 20 0 BDADHO C[C@@]1(CN2CCC(CCO)CC2)CCC[NH2+]C1 ZINC000904307275 584862534 /nfs/dbraw/zinc/86/25/34/584862534.db2.gz OBEINANEGUELLI-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@]1(C[NH+]2CCC(CCO)CC2)CCCNC1 ZINC000904307275 584862535 /nfs/dbraw/zinc/86/25/35/584862535.db2.gz OBEINANEGUELLI-CQSZACIVSA-N 1 3 240.391 1.471 20 0 BDADHO CC(C)OC(=O)[C@@H]1CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904324552 584864528 /nfs/dbraw/zinc/86/45/28/584864528.db2.gz XYDAAVCNVZOJHJ-TUAOUCFPSA-N 1 3 240.347 1.140 20 0 BDADHO C[C@@H](O)C(C)(C)NC[C@H]([NH3+])CCC(C)(C)C ZINC000904330077 584865752 /nfs/dbraw/zinc/86/57/52/584865752.db2.gz YLRWVBZAYZTLOC-GHMZBOCLSA-N 1 3 230.396 1.889 20 0 BDADHO CC1(C)C[N@H+](C[C@@]2(C)CCCNC2)CC[C@H]1O ZINC000904339982 584866838 /nfs/dbraw/zinc/86/68/38/584866838.db2.gz CGUZIDHUWHGJJO-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO CC1(C)C[N@@H+](C[C@@]2(C)CCCNC2)CC[C@H]1O ZINC000904339982 584866839 /nfs/dbraw/zinc/86/68/39/584866839.db2.gz CGUZIDHUWHGJJO-OCCSQVGLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)[C@H](C)O1 ZINC000904345700 584868444 /nfs/dbraw/zinc/86/84/44/584868444.db2.gz IZMPNKNBJDHSEG-IIRVCBMXSA-N 1 3 212.337 1.221 20 0 BDADHO CC[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1O ZINC000904346569 584868658 /nfs/dbraw/zinc/86/86/58/584868658.db2.gz UFGAJKAFTLMTJX-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)C[C@H]1O ZINC000904346569 584868660 /nfs/dbraw/zinc/86/86/60/584868660.db2.gz UFGAJKAFTLMTJX-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)C[C@H]1O ZINC000904346569 584868661 /nfs/dbraw/zinc/86/86/61/584868661.db2.gz UFGAJKAFTLMTJX-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@]1(CNC[C@H](N)c2ccccc2)CCC[NH2+]C1 ZINC000904353202 584869736 /nfs/dbraw/zinc/86/97/36/584869736.db2.gz IJZZDTAEQAQDBO-LSDHHAIUSA-N 1 3 247.386 1.666 20 0 BDADHO Cc1nc(CNC2CC(C[NH3+])C2)sc1C ZINC000904362976 584874497 /nfs/dbraw/zinc/87/44/97/584874497.db2.gz VPABNNIYZWZDSU-UHFFFAOYSA-N 1 3 225.361 1.587 20 0 BDADHO CC[N@H+](CCC(N)=O)C[C@H](N)CCC(C)(C)C ZINC000904388590 584874801 /nfs/dbraw/zinc/87/48/01/584874801.db2.gz LFPCHFCVPNSOAL-LLVKDONJSA-N 1 3 243.395 1.337 20 0 BDADHO CC[N@@H+](CCC(N)=O)C[C@H](N)CCC(C)(C)C ZINC000904388590 584874802 /nfs/dbraw/zinc/87/48/02/584874802.db2.gz LFPCHFCVPNSOAL-LLVKDONJSA-N 1 3 243.395 1.337 20 0 BDADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@@H]1CO ZINC000904381588 584877486 /nfs/dbraw/zinc/87/74/86/584877486.db2.gz ZERDAMOKVKWUSE-MGPQQGTHSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@]2(C)CCCNC2)C[C@@H]1CO ZINC000904381588 584877487 /nfs/dbraw/zinc/87/74/87/584877487.db2.gz ZERDAMOKVKWUSE-MGPQQGTHSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@]2(C)CCCNC2)C[C@@H]1CO ZINC000904381588 584877488 /nfs/dbraw/zinc/87/74/88/584877488.db2.gz ZERDAMOKVKWUSE-MGPQQGTHSA-N 1 3 240.391 1.326 20 0 BDADHO C[C@@]1(CNCc2cc(N)ccn2)CCC[NH2+]C1 ZINC000904386301 584878004 /nfs/dbraw/zinc/87/80/04/584878004.db2.gz VVBBCMOHHMMBBP-CYBMUJFWSA-N 1 3 234.347 1.143 20 0 BDADHO CCOc1cccc(CN2CC[C@H](CC[NH3+])C2)n1 ZINC000904405667 584878750 /nfs/dbraw/zinc/87/87/50/584878750.db2.gz MHQLGHYYWCWWTA-LBPRGKRZSA-N 1 3 249.358 1.651 20 0 BDADHO CC(C)NC(=O)CN(C)CCCCCCC[NH3+] ZINC000842471719 584897415 /nfs/dbraw/zinc/89/74/15/584897415.db2.gz VCNSULUNZWVWRM-UHFFFAOYSA-N 1 3 243.395 1.352 20 0 BDADHO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000817913698 584991333 /nfs/dbraw/zinc/99/13/33/584991333.db2.gz QUCNESMWVSAIAF-MGPQQGTHSA-N 1 3 239.407 1.720 20 0 BDADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838864224 585075973 /nfs/dbraw/zinc/07/59/73/585075973.db2.gz GXFOKTDAYLNRTP-TZMCWYRMSA-N 1 3 240.391 1.421 20 0 BDADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)C2CC2)C1 ZINC000838864224 585075974 /nfs/dbraw/zinc/07/59/74/585075974.db2.gz GXFOKTDAYLNRTP-TZMCWYRMSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000838864224 585075975 /nfs/dbraw/zinc/07/59/75/585075975.db2.gz GXFOKTDAYLNRTP-TZMCWYRMSA-N 1 3 240.391 1.421 20 0 BDADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000838864224 585075976 /nfs/dbraw/zinc/07/59/76/585075976.db2.gz GXFOKTDAYLNRTP-TZMCWYRMSA-N 1 3 240.391 1.421 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C2CC2)C[C@@H]1C ZINC000838863813 585076181 /nfs/dbraw/zinc/07/61/81/585076181.db2.gz QCQZZJACCVALTD-UBHSHLNASA-N 1 3 240.391 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)C2CC2)C[C@@H]1C ZINC000838863813 585076182 /nfs/dbraw/zinc/07/61/82/585076182.db2.gz QCQZZJACCVALTD-UBHSHLNASA-N 1 3 240.391 1.562 20 0 BDADHO C[C@@H](CCO)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000753767915 585268644 /nfs/dbraw/zinc/26/86/44/585268644.db2.gz GGYIOUJCQMVNIP-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO C[C@@H](CCO)NCC[C@H](C)[NH+]1CCCCC1 ZINC000753767915 585268645 /nfs/dbraw/zinc/26/86/45/585268645.db2.gz GGYIOUJCQMVNIP-STQMWFEESA-N 1 3 228.380 1.611 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CCCCCCO)CC1 ZINC000759976924 585383596 /nfs/dbraw/zinc/38/35/96/585383596.db2.gz NANVBWDDFJPMRD-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CCCCCCO)CC1 ZINC000759976924 585383597 /nfs/dbraw/zinc/38/35/97/585383597.db2.gz NANVBWDDFJPMRD-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO C[NH+](C)[C@@H]1CCCN(CCCCCCO)CC1 ZINC000759976924 585383598 /nfs/dbraw/zinc/38/35/98/585383598.db2.gz NANVBWDDFJPMRD-CQSZACIVSA-N 1 3 242.407 1.955 20 0 BDADHO CCN1CCN(CC[NH+]2CCCC2)C[C@@H]1C ZINC000760886190 585401145 /nfs/dbraw/zinc/40/11/45/585401145.db2.gz MIAKPXKFASBOQW-ZDUSSCGKSA-N 1 3 225.380 1.108 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOC2CCC2)[C@H](C)C1 ZINC000777119737 585708862 /nfs/dbraw/zinc/70/88/62/585708862.db2.gz CQQROETWMFFOTO-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOC2CCC2)[C@H](C)C1 ZINC000777119737 585708863 /nfs/dbraw/zinc/70/88/63/585708863.db2.gz CQQROETWMFFOTO-OCCSQVGLSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(CC)CCC[NH2+][C@H](C)CCO ZINC000779337764 585751625 /nfs/dbraw/zinc/75/16/25/585751625.db2.gz DHQOKAMUNBJTRZ-LLVKDONJSA-N 1 3 202.342 1.079 20 0 BDADHO CC[NH+](CC)CCCN[C@H](C)CCO ZINC000779337764 585751626 /nfs/dbraw/zinc/75/16/26/585751626.db2.gz DHQOKAMUNBJTRZ-LLVKDONJSA-N 1 3 202.342 1.079 20 0 BDADHO C[C@H](C[NH2+][C@H](C)CCO)CN1CCCC1 ZINC000779340699 585751710 /nfs/dbraw/zinc/75/17/10/585751710.db2.gz IZTPHCWBQQQRSB-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](CN[C@H](C)CCO)C[NH+]1CCCC1 ZINC000779340699 585751711 /nfs/dbraw/zinc/75/17/11/585751711.db2.gz IZTPHCWBQQQRSB-VXGBXAGGSA-N 1 3 214.353 1.079 20 0 BDADHO C[C@H](C[NH2+][C@H](C)CCO)CN1CCCCC1 ZINC000779393285 585753012 /nfs/dbraw/zinc/75/30/12/585753012.db2.gz RDPZRCHTMZVALF-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@H](CN[C@H](C)CCO)C[NH+]1CCCCC1 ZINC000779393285 585753013 /nfs/dbraw/zinc/75/30/13/585753013.db2.gz RDPZRCHTMZVALF-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779411702 585753995 /nfs/dbraw/zinc/75/39/95/585753995.db2.gz GPKLMHJNPRJDIE-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H](C)CCO)C1 ZINC000779411702 585753996 /nfs/dbraw/zinc/75/39/96/585753996.db2.gz GPKLMHJNPRJDIE-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)CCO)C1 ZINC000779411702 585753997 /nfs/dbraw/zinc/75/39/97/585753997.db2.gz GPKLMHJNPRJDIE-UONOGXRCSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH+]1CCC(CN2CCOC(C)(C)C2)CC1 ZINC000788468977 585925115 /nfs/dbraw/zinc/92/51/15/585925115.db2.gz CPGAJJAQUIVFBD-UHFFFAOYSA-N 1 3 226.364 1.439 20 0 BDADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC(C)(C)O ZINC000795156061 586069875 /nfs/dbraw/zinc/06/98/75/586069875.db2.gz BGIBPNAZHJNSIU-GFCCVEGCSA-N 1 3 249.358 1.363 20 0 BDADHO CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)C(C)C)N(C)C ZINC000840344939 586815023 /nfs/dbraw/zinc/81/50/23/586815023.db2.gz MWPATCXORKBGRV-RYUDHWBXSA-N 1 3 243.395 1.029 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000817892513 586832978 /nfs/dbraw/zinc/83/29/78/586832978.db2.gz ASNQGQDHARRQBK-ZLKJLUDKSA-N 1 3 234.343 1.709 20 0 BDADHO c1ccc2c(c1)C[C@H](C[NH2+]C1CCNCC1)CO2 ZINC000817892635 586833004 /nfs/dbraw/zinc/83/30/04/586833004.db2.gz VTDCKOGZGZXMEU-GFCCVEGCSA-N 1 3 246.354 1.579 20 0 BDADHO c1ccc2c(c1)C[C@H](CNC1CC[NH2+]CC1)CO2 ZINC000817892635 586833006 /nfs/dbraw/zinc/83/30/06/586833006.db2.gz VTDCKOGZGZXMEU-GFCCVEGCSA-N 1 3 246.354 1.579 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CSCCS1 ZINC000817897799 586835163 /nfs/dbraw/zinc/83/51/63/586835163.db2.gz BCKRLOSKGYZCIX-AEJSXWLSSA-N 1 3 234.434 1.550 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000817901466 586836369 /nfs/dbraw/zinc/83/63/69/586836369.db2.gz VUVOMOJGESVGBB-HBNTYKKESA-N 1 3 246.420 1.470 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000817905128 586836960 /nfs/dbraw/zinc/83/69/60/586836960.db2.gz BLBQBPHBYIMWIB-YNEHKIRRSA-N 1 3 228.380 1.643 20 0 BDADHO C[C@@H](NC[C@H](C)N1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000817913187 586838136 /nfs/dbraw/zinc/83/81/36/586838136.db2.gz HHVFZHVXUMJGRW-MJBXVCDLSA-N 1 3 239.407 1.591 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](O)c1ccco1 ZINC000817912329 586838532 /nfs/dbraw/zinc/83/85/32/586838532.db2.gz ABKRUQWMRKIQBX-SRVKXCTJSA-N 1 3 238.331 1.420 20 0 BDADHO Cc1ccc([C@H](O)CN[C@@H]2CCC[C@@H]2C[NH3+])o1 ZINC000817913693 586839759 /nfs/dbraw/zinc/83/97/59/586839759.db2.gz QSNMHUUATSVCAZ-IJLUTSLNSA-N 1 3 238.331 1.338 20 0 BDADHO CC1(C[NH2+][C@@H]2CCCCC[C@@H]2N)OCCCO1 ZINC000817926415 586841307 /nfs/dbraw/zinc/84/13/07/586841307.db2.gz IFIGTENZPAYTAA-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO C[C@@H](CSC(C)(C)C)[NH2+]CCCN ZINC000817938100 586844577 /nfs/dbraw/zinc/84/45/77/586844577.db2.gz DLNCZDNMKRNBKM-VIFPVBQESA-N 1 3 204.383 1.845 20 0 BDADHO C[C@@H](CSC(C)(C)C)NCCC[NH3+] ZINC000817938100 586844579 /nfs/dbraw/zinc/84/45/79/586844579.db2.gz DLNCZDNMKRNBKM-VIFPVBQESA-N 1 3 204.383 1.845 20 0 BDADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000818984904 586919109 /nfs/dbraw/zinc/91/91/09/586919109.db2.gz MUABTTZSSVDASO-OCCSQVGLSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)C2CC2)C1 ZINC000818984904 586919111 /nfs/dbraw/zinc/91/91/11/586919111.db2.gz MUABTTZSSVDASO-OCCSQVGLSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)C2CC2)C1 ZINC000818984904 586919113 /nfs/dbraw/zinc/91/91/13/586919113.db2.gz MUABTTZSSVDASO-OCCSQVGLSA-N 1 3 240.391 1.467 20 0 BDADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000818981218 586919868 /nfs/dbraw/zinc/91/98/68/586919868.db2.gz STIIILNIMOIQIB-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC000818981218 586919870 /nfs/dbraw/zinc/91/98/70/586919870.db2.gz STIIILNIMOIQIB-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC000818981218 586919871 /nfs/dbraw/zinc/91/98/71/586919871.db2.gz STIIILNIMOIQIB-WCQYABFASA-N 1 3 226.364 1.079 20 0 BDADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC000819151910 586933611 /nfs/dbraw/zinc/93/36/11/586933611.db2.gz HSICJGYVBPFAKW-GXTWGEPZSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](O)C2CC2)C1 ZINC000819151910 586933612 /nfs/dbraw/zinc/93/36/12/586933612.db2.gz HSICJGYVBPFAKW-GXTWGEPZSA-N 1 3 240.391 1.325 20 0 BDADHO CC(C)CN1CC[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000819151910 586933613 /nfs/dbraw/zinc/93/36/13/586933613.db2.gz HSICJGYVBPFAKW-GXTWGEPZSA-N 1 3 240.391 1.325 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115199 /nfs/dbraw/zinc/11/51/99/587115199.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115201 /nfs/dbraw/zinc/11/52/01/587115201.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115202 /nfs/dbraw/zinc/11/52/02/587115202.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CC[C@@H](OC)C2)C1 ZINC000821386127 587115204 /nfs/dbraw/zinc/11/52/04/587115204.db2.gz IWWLWPDNHFTZCL-BFHYXJOUSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)(C)[NH2+]CCNC(=O)c1cccc(CN)c1 ZINC000830170971 587540003 /nfs/dbraw/zinc/54/00/03/587540003.db2.gz PXCXMDMOWKMVHP-UHFFFAOYSA-N 1 3 249.358 1.263 20 0 BDADHO CCC[C@@](C)([NH3+])C(=O)NCCN1CCC[C@H]1C ZINC000831971247 587640340 /nfs/dbraw/zinc/64/03/40/587640340.db2.gz UHTVMTQBSFPQAG-DGCLKSJQSA-N 1 3 241.379 1.104 20 0 BDADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000832243984 587652336 /nfs/dbraw/zinc/65/23/36/587652336.db2.gz CPTWVHHUJOWIJJ-GFCCVEGCSA-N 1 3 241.379 1.058 20 0 BDADHO CC[NH+](CC)CCCNC[C@@H](O)C1CC1 ZINC000840733293 587918599 /nfs/dbraw/zinc/91/85/99/587918599.db2.gz PUIJQXKPKTXISG-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO CCN(CC)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000840733293 587918600 /nfs/dbraw/zinc/91/86/00/587918600.db2.gz PUIJQXKPKTXISG-GFCCVEGCSA-N 1 3 214.353 1.079 20 0 BDADHO c1cn2c(n1)[C@H](N[C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000843341089 588101214 /nfs/dbraw/zinc/10/12/14/588101214.db2.gz ZEIZKACYKIUGIK-UMSGYPCISA-N 1 3 246.358 1.306 20 0 BDADHO C[C@](CN)([NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC000843355133 588103348 /nfs/dbraw/zinc/10/33/48/588103348.db2.gz CCWRFQBDLSUMIE-GFCCVEGCSA-N 1 3 239.750 1.952 20 0 BDADHO Cc1ncc(CCN[C@H]2CCC[C@H]([NH3+])C2)s1 ZINC000848719447 588408631 /nfs/dbraw/zinc/40/86/31/588408631.db2.gz FKWKNGFBFNIQQV-QWRGUYRKSA-N 1 3 239.388 1.854 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](CC(C)C)N1CCCC1 ZINC000848984163 588424851 /nfs/dbraw/zinc/42/48/51/588424851.db2.gz VCFAADJTTDIRGX-GFCCVEGCSA-N 1 3 240.395 1.631 20 0 BDADHO CCNC(=[NH2+])NC[C@@H](C(C)C)N1CCCC1 ZINC000848984207 588425008 /nfs/dbraw/zinc/42/50/08/588425008.db2.gz YYZIHOBWQFUMRA-NSHDSACASA-N 1 3 226.368 1.241 20 0 BDADHO C[C@@H](CNC(=[NH2+])Nc1ccccn1)N1CCCC1 ZINC000848986700 588425940 /nfs/dbraw/zinc/42/59/40/588425940.db2.gz VQHBOJQBLZWNHM-NSHDSACASA-N 1 3 247.346 1.502 20 0 BDADHO C[C@@H](CNC(=[NH2+])N(C)C)N1CCCC[C@H]1C ZINC000848987407 588426403 /nfs/dbraw/zinc/42/64/03/588426403.db2.gz ULAKZQIIFHUNMV-MNOVXSKESA-N 1 3 226.368 1.335 20 0 BDADHO CCNC(=[NH2+])NCC(C)(C)N1CCC[C@H](C)C1 ZINC000848997226 588429654 /nfs/dbraw/zinc/42/96/54/588429654.db2.gz LVHJSCYINYHMGR-NSHDSACASA-N 1 3 240.395 1.631 20 0 BDADHO C[C@@H](CNC(=[NH2+])NCC1CCC1)CN(C)C ZINC000849030791 588442899 /nfs/dbraw/zinc/44/28/99/588442899.db2.gz XEUWANPAFJGDRG-JTQLQIEISA-N 1 3 226.368 1.098 20 0 BDADHO CC1(C)CCCN1CCNC1=[NH+]CCCCN1 ZINC000849216632 588462747 /nfs/dbraw/zinc/46/27/47/588462747.db2.gz NWZPAJJOXMXXDJ-UHFFFAOYSA-N 1 3 238.379 1.190 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)C1CC1)C2 ZINC000852107451 588664137 /nfs/dbraw/zinc/66/41/37/588664137.db2.gz LLNVHQWJLKBRTB-UONOGXRCSA-N 1 3 238.375 1.175 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)C1CC1)C2 ZINC000852107451 588664138 /nfs/dbraw/zinc/66/41/38/588664138.db2.gz LLNVHQWJLKBRTB-UONOGXRCSA-N 1 3 238.375 1.175 20 0 BDADHO CN(C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CC1(C)C ZINC000852774788 588701884 /nfs/dbraw/zinc/70/18/84/588701884.db2.gz ZFWFTWXKBNSFQE-QWHCGFSZSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000863484014 589293118 /nfs/dbraw/zinc/29/31/18/589293118.db2.gz GKMIVWRBORKBAP-AAVRWANBSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCN[C@H]2C)CCO1 ZINC000863486626 589293406 /nfs/dbraw/zinc/29/34/06/589293406.db2.gz BISCXHXFCKUFSF-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CC[C@H]2C2CC2)C[NH2+]1 ZINC000863546212 589296121 /nfs/dbraw/zinc/29/61/21/589296121.db2.gz JZOCDUFOCCFXOM-IXOXFDKPSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCc2[nH]ncc21 ZINC000863543714 589296893 /nfs/dbraw/zinc/29/68/93/589296893.db2.gz WIYMJYNFIRGFHL-DMDPSCGWSA-N 1 3 234.347 1.517 20 0 BDADHO C[C@@H]([NH3+])c1ccc(-c2cnn3c2CNCC3)cc1 ZINC000863713620 589312592 /nfs/dbraw/zinc/31/25/92/589312592.db2.gz PDQUWKPDIOUTJN-SNVBAGLBSA-N 1 3 242.326 1.673 20 0 BDADHO CN(C)CC(C)(C)CNC(=[NH2+])NCCC1CC1 ZINC000864451439 589364877 /nfs/dbraw/zinc/36/48/77/589364877.db2.gz GQCQIUXFCSNQSX-UHFFFAOYSA-N 1 3 240.395 1.488 20 0 BDADHO C[C@H](CNC(=[NH2+])NCCC1CC1)CN(C)C ZINC000864465735 589370906 /nfs/dbraw/zinc/37/09/06/589370906.db2.gz BNKQHNWPEBPWND-SNVBAGLBSA-N 1 3 226.368 1.098 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(c3ccnc(CO)c3)CC[C@H]21 ZINC000866208967 589480551 /nfs/dbraw/zinc/48/05/51/589480551.db2.gz MCFQAXQLYLPDSV-SMDDNHRTSA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@H]2CN(c3ccnc(CO)c3)CC[C@H]21 ZINC000866208967 589480552 /nfs/dbraw/zinc/48/05/52/589480552.db2.gz MCFQAXQLYLPDSV-SMDDNHRTSA-N 1 3 247.342 1.104 20 0 BDADHO [NH3+]CCCN1CC[C@H]2CSC[C@H]2C1 ZINC000866704198 589513861 /nfs/dbraw/zinc/51/38/61/589513861.db2.gz RJSDDRIZNCHHFZ-VHSXEESVSA-N 1 3 200.351 1.020 20 0 BDADHO COCC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705029 589514200 /nfs/dbraw/zinc/51/42/00/589514200.db2.gz RWYLRAZPMIOOJU-GFCCVEGCSA-N 1 3 214.353 1.330 20 0 BDADHO COCC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866705029 589514201 /nfs/dbraw/zinc/51/42/01/589514201.db2.gz RWYLRAZPMIOOJU-GFCCVEGCSA-N 1 3 214.353 1.330 20 0 BDADHO CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)C1(N)CC1 ZINC000867988708 589542723 /nfs/dbraw/zinc/54/27/23/589542723.db2.gz SGUBOUMGNCWPMR-NSHDSACASA-N 1 3 245.326 1.303 20 0 BDADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)CC[NH3+] ZINC000867988372 589542766 /nfs/dbraw/zinc/54/27/66/589542766.db2.gz KXLSMJFPWBNKMW-LBPRGKRZSA-N 1 3 233.315 1.160 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1CCCOC1 ZINC000872073527 589864987 /nfs/dbraw/zinc/86/49/87/589864987.db2.gz QINMHNYYHZHVOY-MJBXVCDLSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@](C[NH3+])(NC[C@@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141250 589881584 /nfs/dbraw/zinc/88/15/84/589881584.db2.gz AKPJMXDPQQHBHX-QWHCGFSZSA-N 1 3 238.375 1.663 20 0 BDADHO C[C@@](C[NH3+])(NC[C@H]1CC2(CCC2)CO1)C1CC1 ZINC000872141249 589881892 /nfs/dbraw/zinc/88/18/92/589881892.db2.gz AKPJMXDPQQHBHX-OLZOCXBDSA-N 1 3 238.375 1.663 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872141906 589882117 /nfs/dbraw/zinc/88/21/17/589882117.db2.gz ZCLSFPLDWDJWAM-VXGBXAGGSA-N 1 3 224.348 1.369 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000872141906 589882119 /nfs/dbraw/zinc/88/21/19/589882119.db2.gz ZCLSFPLDWDJWAM-VXGBXAGGSA-N 1 3 224.348 1.369 20 0 BDADHO CC(C)([NH3+])CNCc1cc2c(s1)CCNC2 ZINC000873210696 589995355 /nfs/dbraw/zinc/99/53/55/589995355.db2.gz ORPCLVYYEYQCOM-UHFFFAOYSA-N 1 3 239.388 1.221 20 0 BDADHO C1O[C@@H]2[C@H](N[C@@H]3CCC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217714 589998197 /nfs/dbraw/zinc/99/81/97/589998197.db2.gz QDLZMMFYZYBTFZ-VPCRRHSYSA-N 1 3 236.359 1.142 20 0 BDADHO C1O[C@@H]2[C@H]([NH2+][C@@H]3CCCNCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873217714 589998199 /nfs/dbraw/zinc/99/81/99/589998199.db2.gz QDLZMMFYZYBTFZ-VPCRRHSYSA-N 1 3 236.359 1.142 20 0 BDADHO CC(C)C[C@H]([NH3+])CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873218048 589999027 /nfs/dbraw/zinc/99/90/27/589999027.db2.gz XVPFTYOBFVHPPM-SNIKSBKOSA-N 1 3 238.375 1.373 20 0 BDADHO COCCC1([NH2+]C[C@H](C)COC)CCNCC1 ZINC000873225727 590001075 /nfs/dbraw/zinc/00/10/75/590001075.db2.gz YNJIDZMARWQSKE-LBPRGKRZSA-N 1 3 244.379 1.017 20 0 BDADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCC[C@@H]1F ZINC000873239602 590005891 /nfs/dbraw/zinc/00/58/91/590005891.db2.gz YWGYBIBCELVLTF-JZRPKSSGSA-N 1 3 244.354 1.609 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC[C@H]1CCCS1 ZINC000873243465 590006609 /nfs/dbraw/zinc/00/66/09/590006609.db2.gz LLKNSWRKZQYJNR-UTUOFQBUSA-N 1 3 228.405 1.860 20 0 BDADHO Cc1ccc([C@H](C)NC[C@H]2C[C@@H]([NH3+])C2)o1 ZINC000873254990 590010507 /nfs/dbraw/zinc/01/05/07/590010507.db2.gz CLCJCWJQWAMKMI-GARJFASQSA-N 1 3 208.305 1.976 20 0 BDADHO C[C@@H](NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1nccn1C ZINC000873263524 590014083 /nfs/dbraw/zinc/01/40/83/590014083.db2.gz IXUSEAPYCGNFNV-FVCCEPFGSA-N 1 3 248.374 1.601 20 0 BDADHO COCC(C)(C)CC[NH2+][C@@H](C)C[C@@H](C)N ZINC000873281285 590019044 /nfs/dbraw/zinc/01/90/44/590019044.db2.gz HLCHYKHPSGHEMJ-MNOVXSKESA-N 1 3 216.369 1.765 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000877106906 590285186 /nfs/dbraw/zinc/28/51/86/590285186.db2.gz XVPCRJZSPYHYSE-GWCFXTLKSA-N 1 3 247.342 1.027 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877136496 590290855 /nfs/dbraw/zinc/29/08/55/590290855.db2.gz GZIBILVTVCKOOV-QJPTWQEYSA-N 1 3 233.315 1.177 20 0 BDADHO CC(C)[C@H](O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000878125201 590501635 /nfs/dbraw/zinc/50/16/35/590501635.db2.gz NVLUDHBEVPCPRL-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CC(C)[C@H](O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000878125201 590501638 /nfs/dbraw/zinc/50/16/38/590501638.db2.gz NVLUDHBEVPCPRL-UONOGXRCSA-N 1 3 242.407 1.667 20 0 BDADHO CN1CC[C@H]2C[N@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574272 590815114 /nfs/dbraw/zinc/81/51/14/590815114.db2.gz YWKIONMQJYZVGP-NWDGAFQWSA-N 1 3 224.348 1.049 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CC3(C)COC3)CC[C@H]21 ZINC000879574272 590815118 /nfs/dbraw/zinc/81/51/18/590815118.db2.gz YWKIONMQJYZVGP-NWDGAFQWSA-N 1 3 224.348 1.049 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815215 /nfs/dbraw/zinc/81/52/15/590815215.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 1 3 248.374 1.299 20 0 BDADHO C[N@H+]1CC[C@H]2CN(CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815218 /nfs/dbraw/zinc/81/52/18/590815218.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815221 /nfs/dbraw/zinc/81/52/21/590815221.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 1 3 248.374 1.299 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCCn3ccnc3)CC[C@H]21 ZINC000879577843 590815223 /nfs/dbraw/zinc/81/52/23/590815223.db2.gz MXWCKGPUVHOSOI-UONOGXRCSA-N 1 3 248.374 1.299 20 0 BDADHO CC[C@H](O)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258565 590978864 /nfs/dbraw/zinc/97/88/64/590978864.db2.gz IPYXCKLOTCUJME-JSGCOSHPSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@H]1CN(CCCF)CCN1c1cc[nH+]cc1 ZINC000880260910 590980378 /nfs/dbraw/zinc/98/03/78/590980378.db2.gz GPGHQLMJFVQXIZ-LBPRGKRZSA-N 1 3 237.322 1.952 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](CF)C1 ZINC000880297218 590990523 /nfs/dbraw/zinc/99/05/23/590990523.db2.gz KXMIQQDFWBVRRX-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](CF)C1 ZINC000880297218 590990525 /nfs/dbraw/zinc/99/05/25/590990525.db2.gz KXMIQQDFWBVRRX-NWDGAFQWSA-N 1 3 214.328 1.762 20 0 BDADHO CC[C@@H](C)NC(=O)CCN[C@@H]1CCC[NH2+]CC1 ZINC000129159102 591260694 /nfs/dbraw/zinc/26/06/94/591260694.db2.gz FHPSHTVIXQJRPV-VXGBXAGGSA-N 1 3 241.379 1.023 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000131112172 591554228 /nfs/dbraw/zinc/55/42/28/591554228.db2.gz ROSPFJYZWWZHMW-QWRGUYRKSA-N 1 3 212.337 1.009 20 0 BDADHO CCCCOC(=O)CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000883442855 591670053 /nfs/dbraw/zinc/67/00/53/591670053.db2.gz UOMCBEDNSDWBKQ-GHMZBOCLSA-N 1 3 242.363 1.435 20 0 BDADHO CCCCOC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000883442855 591670056 /nfs/dbraw/zinc/67/00/56/591670056.db2.gz UOMCBEDNSDWBKQ-GHMZBOCLSA-N 1 3 242.363 1.435 20 0 BDADHO CN1CC[C@]2(CC[N@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215882 592177948 /nfs/dbraw/zinc/17/79/48/592177948.db2.gz SLNMWNNUTQRBOH-RYUDHWBXSA-N 1 3 248.317 1.030 20 0 BDADHO CN1CC[C@]2(CC[N@@H+](C[C@](C)(O)C(F)F)C2)C1 ZINC000886215882 592177950 /nfs/dbraw/zinc/17/79/50/592177950.db2.gz SLNMWNNUTQRBOH-RYUDHWBXSA-N 1 3 248.317 1.030 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1C[C@@]12CCOC2 ZINC000886829751 592351492 /nfs/dbraw/zinc/35/14/92/592351492.db2.gz GPDFOAYGMYOVIF-BFHYXJOUSA-N 1 3 240.391 1.718 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@@H]1CN ZINC000886840344 592361737 /nfs/dbraw/zinc/36/17/37/592361737.db2.gz ZMGWDPQWFMAMKV-RFGFWPKPSA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@@H]1CN ZINC000886840344 592361742 /nfs/dbraw/zinc/36/17/42/592361742.db2.gz ZMGWDPQWFMAMKV-RFGFWPKPSA-N 1 3 238.375 1.330 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859987 592371185 /nfs/dbraw/zinc/37/11/85/592371185.db2.gz MTKZMKDEVHIIPC-AGIUHOORSA-N 1 3 224.348 1.097 20 0 BDADHO C[C@H]1C[C@H](NC[C@@H](O)c2ccccc2)CC[N@H+]1C ZINC000221734968 592445311 /nfs/dbraw/zinc/44/53/11/592445311.db2.gz MMILFXRAWYPNRF-NWANDNLSSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@H]1C[C@H](NC[C@@H](O)c2ccccc2)CC[N@@H+]1C ZINC000221734968 592445309 /nfs/dbraw/zinc/44/53/09/592445309.db2.gz MMILFXRAWYPNRF-NWANDNLSSA-N 1 3 248.370 1.792 20 0 BDADHO CC[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133075 592449076 /nfs/dbraw/zinc/44/90/76/592449076.db2.gz SSEAZDWVQVJRAU-JSGCOSHPSA-N 1 3 249.358 1.363 20 0 BDADHO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000300386900 592509829 /nfs/dbraw/zinc/50/98/29/592509829.db2.gz MALQGEAISUPWEJ-KXNHARMFSA-N 1 3 228.405 1.988 20 0 BDADHO CC[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000925704916 634385940 /nfs/dbraw/zinc/38/59/40/634385940.db2.gz IJTWOSULIQQXOO-LOWDOPEQSA-N 1 3 226.364 1.674 20 0 BDADHO COC1CC(CC[NH2+][C@H]2CCNC23CCC3)C1 ZINC000925714915 634435733 /nfs/dbraw/zinc/43/57/33/634435733.db2.gz ZBUBQEPCKYPPOM-BPCQOVAHSA-N 1 3 238.375 1.676 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1CC[C@]2(C1)CCCCN2 ZINC000257697475 634471140 /nfs/dbraw/zinc/47/11/40/634471140.db2.gz PDWQJIFTQFDFOB-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1CC[C@]2(C1)CCCCN2 ZINC000257697475 634471146 /nfs/dbraw/zinc/47/11/46/634471146.db2.gz PDWQJIFTQFDFOB-KBPBESRZSA-N 1 3 238.375 1.631 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N)n1 ZINC000107830171 635485195 /nfs/dbraw/zinc/48/51/95/635485195.db2.gz CZBHGXOQQSNSSI-GHMZBOCLSA-N 1 3 247.346 1.406 20 0 BDADHO Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N)n1 ZINC000107830171 635485200 /nfs/dbraw/zinc/48/52/00/635485200.db2.gz CZBHGXOQQSNSSI-GHMZBOCLSA-N 1 3 247.346 1.406 20 0 BDADHO Cc1cc(N)nc(NCC(C)(C)C[NH+](C)C)n1 ZINC000891440144 631285622 /nfs/dbraw/zinc/28/56/22/631285622.db2.gz IFYLJWBRAZTWST-UHFFFAOYSA-N 1 3 237.351 1.367 20 0 BDADHO COC[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062078983 631646942 /nfs/dbraw/zinc/64/69/42/631646942.db2.gz MYOLWZJPMDVLOR-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062078983 631646947 /nfs/dbraw/zinc/64/69/47/631646947.db2.gz MYOLWZJPMDVLOR-NEPJUHHUSA-N 1 3 214.353 1.343 20 0 BDADHO CC(C)CCN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056615 631833308 /nfs/dbraw/zinc/83/33/08/631833308.db2.gz QPWAYDLRONBAOO-ZDUSSCGKSA-N 1 3 228.380 1.421 20 0 BDADHO Cc1cc(NCC2([NH+](C)C)CCCC2)nc(N)n1 ZINC000051964673 632029285 /nfs/dbraw/zinc/02/92/85/632029285.db2.gz VEMJCVITYHJQDA-UHFFFAOYSA-N 1 3 249.362 1.654 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000156741808 632401074 /nfs/dbraw/zinc/40/10/74/632401074.db2.gz CVKCXMJDZZCYSN-VXGBXAGGSA-N 1 3 226.364 1.256 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@H]2CN)CCCS1 ZINC000250791487 632543841 /nfs/dbraw/zinc/54/38/41/632543841.db2.gz JIXMTYUDMHKPPU-SDDRHHMPSA-N 1 3 228.405 1.989 20 0 BDADHO C1C[NH2+][C@@H]([C@H]2CCC[C@H]2N[C@@H]2CCCOC2)C1 ZINC000250672284 632545157 /nfs/dbraw/zinc/54/51/57/632545157.db2.gz VLLHPIXBQIXUPB-AAVRWANBSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@]1(CNC[C@@H]([NH3+])CC(F)F)CCCO1 ZINC000309044878 632624015 /nfs/dbraw/zinc/62/40/15/632624015.db2.gz MKLPPAHONNQFJN-WCBMZHEXSA-N 1 3 222.279 1.128 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)C1CCOCC1 ZINC000235536594 632779184 /nfs/dbraw/zinc/77/91/84/632779184.db2.gz YVGZDIXEOAOPIS-UHTWSYAYSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H]1CC[N@H+](CCCCCCO)C[C@@H]1CN ZINC000235552479 632781809 /nfs/dbraw/zinc/78/18/09/632781809.db2.gz HZCTXNOLPAMVSO-STQMWFEESA-N 1 3 228.380 1.456 20 0 BDADHO C[C@H]1CC[N@@H+](CCCCCCO)C[C@@H]1CN ZINC000235552479 632781815 /nfs/dbraw/zinc/78/18/15/632781815.db2.gz HZCTXNOLPAMVSO-STQMWFEESA-N 1 3 228.380 1.456 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229621663 632982620 /nfs/dbraw/zinc/98/26/20/632982620.db2.gz RSUHEZZYLHZUQD-MCIONIFRSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229621663 632982623 /nfs/dbraw/zinc/98/26/23/632982623.db2.gz RSUHEZZYLHZUQD-MCIONIFRSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)CCN1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC000925069121 635889716 /nfs/dbraw/zinc/88/97/16/635889716.db2.gz FSYWUMXSSIRQRU-CYBMUJFWSA-N 1 3 242.407 1.857 20 0 BDADHO C[C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328565775 633777253 /nfs/dbraw/zinc/77/72/53/633777253.db2.gz LYVWNHHRWBVENH-VTAXGKEESA-N 1 3 220.360 1.761 20 0 BDADHO COC[C@H](C)NCCC[NH+]1CCC(C)CC1 ZINC000053172611 633877523 /nfs/dbraw/zinc/87/75/23/633877523.db2.gz UMNFEARMHZPTFA-ZDUSSCGKSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC1(CCO)CCCC1 ZINC000925525603 633904576 /nfs/dbraw/zinc/90/45/76/633904576.db2.gz DHAZXVWJPWLRFE-STQMWFEESA-N 1 3 240.391 1.659 20 0 BDADHO C[NH+](C)CCC1CCN(CC2OCCO2)CC1 ZINC000182073546 633933601 /nfs/dbraw/zinc/93/36/01/633933601.db2.gz FLDYQEUKEYKKGF-UHFFFAOYSA-N 1 3 242.363 1.023 20 0 BDADHO CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925565755 634060084 /nfs/dbraw/zinc/06/00/84/634060084.db2.gz XSXYQKCQQUIVHM-CHWSQXEVSA-N 1 3 237.391 1.345 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616230 634161540 /nfs/dbraw/zinc/16/15/40/634161540.db2.gz LLCUSLYVGIRMFA-KBPBESRZSA-N 1 3 246.354 1.794 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)n[nH]1 ZINC000925617678 634166796 /nfs/dbraw/zinc/16/67/96/634166796.db2.gz DXDHQFXQCIBDGY-XHVZSJERSA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)[nH]n1 ZINC000925617678 634166803 /nfs/dbraw/zinc/16/68/03/634166803.db2.gz DXDHQFXQCIBDGY-XHVZSJERSA-N 1 3 236.363 1.379 20 0 BDADHO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCN[C@H]2C)[nH]n1 ZINC000925617678 634166809 /nfs/dbraw/zinc/16/68/09/634166809.db2.gz DXDHQFXQCIBDGY-XHVZSJERSA-N 1 3 236.363 1.379 20 0 BDADHO CC(C)(CO)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925618643 634172993 /nfs/dbraw/zinc/17/29/93/634172993.db2.gz VXWLVKKOXIEOKL-WOPDTQHZSA-N 1 3 240.391 1.371 20 0 BDADHO CC(C)(CO)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925618643 634172997 /nfs/dbraw/zinc/17/29/97/634172997.db2.gz VXWLVKKOXIEOKL-WOPDTQHZSA-N 1 3 240.391 1.371 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925645018 634199046 /nfs/dbraw/zinc/19/90/46/634199046.db2.gz OYFNWXMBSCAGOF-BJDJZHNGSA-N 1 3 224.348 1.149 20 0 BDADHO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925661953 634225561 /nfs/dbraw/zinc/22/55/61/634225561.db2.gz FTSVTDKEGDEKLF-ZDEQEGDKSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H](NCC[C@H]1CC[NH2+]C1)c1ncc[nH]1 ZINC000925689464 634308825 /nfs/dbraw/zinc/30/88/25/634308825.db2.gz AAIDLAQBPJFQGN-NXEZZACHSA-N 1 3 208.309 1.060 20 0 BDADHO CC1(C)C[C@@H]([NH3+])C[C@H](N[C@H]2C[C@@H](O)C2)C1 ZINC000925695459 634348402 /nfs/dbraw/zinc/34/84/02/634348402.db2.gz XASBXICYWZDQEM-XWLWVQCSSA-N 1 3 212.337 1.005 20 0 BDADHO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925701790 634376265 /nfs/dbraw/zinc/37/62/65/634376265.db2.gz FTSVTDKEGDEKLF-FVCCEPFGSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H](NCC[C@@H]1C[NH2+]C[C@H]1C)c1ccn(C)n1 ZINC000925791593 635319257 /nfs/dbraw/zinc/31/92/57/635319257.db2.gz BOIPLNIBTSAJBR-GRYCIOLGSA-N 1 3 236.363 1.316 20 0 BDADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C)C2)[C@@H](C)C1 ZINC000223194625 635364307 /nfs/dbraw/zinc/36/43/07/635364307.db2.gz CTSPHQPWKALSII-XQQFMLRXSA-N 1 3 225.380 1.010 20 0 BDADHO CC(C)(C)CC[C@@H](N)C[NH2+][C@@]1(C)CCNC1=O ZINC000904469177 637422268 /nfs/dbraw/zinc/42/22/68/637422268.db2.gz JDQROVRTXGEOQE-MFKMUULPSA-N 1 3 241.379 1.008 20 0 BDADHO CC[C@@H](CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1)OC ZINC000931317048 640142768 /nfs/dbraw/zinc/14/27/68/640142768.db2.gz MNQAMVPLZCLQRE-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO CC[C@@H](CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1)OC ZINC000931317048 640142776 /nfs/dbraw/zinc/14/27/76/640142776.db2.gz MNQAMVPLZCLQRE-MELADBBJSA-N 1 3 240.391 1.685 20 0 BDADHO C[C@@H]1C[C@H]([NH+]2CCC(C)(N(C)C)CC2)CCO1 ZINC000931354986 640167685 /nfs/dbraw/zinc/16/76/85/640167685.db2.gz NEJBAIHDZZMLMN-CHWSQXEVSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1C[C@H](N2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000931354986 640167692 /nfs/dbraw/zinc/16/76/92/640167692.db2.gz NEJBAIHDZZMLMN-CHWSQXEVSA-N 1 3 240.391 1.970 20 0 BDADHO COC/C(C)=C\CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931443447 640208032 /nfs/dbraw/zinc/20/80/32/640208032.db2.gz YEDRCFBMRBPHKC-IZWIXQHKSA-N 1 3 238.375 1.463 20 0 BDADHO COC/C(C)=C\CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931443447 640208036 /nfs/dbraw/zinc/20/80/36/640208036.db2.gz YEDRCFBMRBPHKC-IZWIXQHKSA-N 1 3 238.375 1.463 20 0 BDADHO CC[C@H](CO)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000931763350 640356141 /nfs/dbraw/zinc/35/61/41/640356141.db2.gz GLSXFWDHJLNGMF-QWHCGFSZSA-N 1 3 249.358 1.363 20 0 BDADHO C[NH+]1CCC(C)(CNCc2cnccn2)CC1 ZINC000226345664 640749795 /nfs/dbraw/zinc/74/97/95/640749795.db2.gz AHUBXZWJSJPARW-UHFFFAOYSA-N 1 3 234.347 1.298 20 0 BDADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000227536218 640838863 /nfs/dbraw/zinc/83/88/63/640838863.db2.gz USSFRRDPOWPLCP-AXTRIDKLSA-N 1 3 206.289 1.102 20 0 BDADHO C[C@H](C[NH2+]C1CC(N)C1)c1ccccc1 ZINC000087651226 640957326 /nfs/dbraw/zinc/95/73/26/640957326.db2.gz BZQALMTUINOYSR-QFWMXSHPSA-N 1 3 204.317 1.869 20 0 BDADHO C[C@H](CNC1CC([NH3+])C1)c1ccccc1 ZINC000087651226 640957329 /nfs/dbraw/zinc/95/73/29/640957329.db2.gz BZQALMTUINOYSR-QFWMXSHPSA-N 1 3 204.317 1.869 20 0 BDADHO CC(C)N1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062862096 641100420 /nfs/dbraw/zinc/10/04/20/641100420.db2.gz RFLISIZKYWPOKY-AWEZNQCLSA-N 1 3 239.407 1.402 20 0 BDADHO CN1CCC[C@@H](C[NH2+]Cc2ccoc2)C1 ZINC000063047462 641122173 /nfs/dbraw/zinc/12/21/73/641122173.db2.gz JVLQRCFROWJGAL-NSHDSACASA-N 1 3 208.305 1.711 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231940092 641218283 /nfs/dbraw/zinc/21/82/83/641218283.db2.gz VUXLGQRQFKHDCF-HTQZYQBOSA-N 1 3 242.310 1.956 20 0 BDADHO CSCC(C)(C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000934674516 641242125 /nfs/dbraw/zinc/24/21/25/641242125.db2.gz BMPISFPQKIPABB-LLVKDONJSA-N 1 3 246.420 1.174 20 0 BDADHO C[C@@H]1CCC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925472140 642391280 /nfs/dbraw/zinc/39/12/80/642391280.db2.gz AWBHLRUIHTXBOU-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H](O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500939 644144235 /nfs/dbraw/zinc/14/42/35/644144235.db2.gz XOSLWBJEDOSSKX-TUAOUCFPSA-N 1 3 214.353 1.268 20 0 BDADHO CN(CCC[NH3+])C[C@H](O)CCc1ccccc1 ZINC000923291526 644317877 /nfs/dbraw/zinc/31/78/77/644317877.db2.gz PHNDNMZWCQJIFL-CQSZACIVSA-N 1 3 236.359 1.261 20 0 BDADHO CC(C)OCC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294521 644331710 /nfs/dbraw/zinc/33/17/10/644331710.db2.gz MWYYCRJPWFTPOW-GFCCVEGCSA-N 1 3 246.395 1.079 20 0 BDADHO CC[C@@H]1CN(C[C@@H](O)CCC(C)C)CC[C@H]1[NH3+] ZINC000923346012 644364535 /nfs/dbraw/zinc/36/45/35/644364535.db2.gz SWQQHKQQXKEVMD-HZSPNIEDSA-N 1 3 242.407 1.843 20 0 BDADHO CC(C)OCC[C@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923381585 644394711 /nfs/dbraw/zinc/39/47/11/644394711.db2.gz JNWPBUHXGFSQMA-YNEHKIRRSA-N 1 3 244.379 1.022 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H](O)Cc1ccccc1 ZINC000923393292 644403253 /nfs/dbraw/zinc/40/32/53/644403253.db2.gz OBIGSSRMDYBPJQ-SNPRPXQTSA-N 1 3 248.370 1.402 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000923422883 644418650 /nfs/dbraw/zinc/41/86/50/644418650.db2.gz URXRBSIDSBZJCY-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)CC1CCCC1 ZINC000923422883 644418654 /nfs/dbraw/zinc/41/86/54/644418654.db2.gz URXRBSIDSBZJCY-UPJWGTAASA-N 1 3 240.391 1.643 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccncc1 ZINC000084215721 644420690 /nfs/dbraw/zinc/42/06/90/644420690.db2.gz MYQOIQDYXODKDU-QWHCGFSZSA-N 1 3 219.332 1.689 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccco1 ZINC000084215983 644421337 /nfs/dbraw/zinc/42/13/37/644421337.db2.gz UDCAOJYQQWQFPN-YPMHNXCESA-N 1 3 222.332 1.929 20 0 BDADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(F)(C3CC3)CC2)C1 ZINC000923442035 644433779 /nfs/dbraw/zinc/43/37/79/644433779.db2.gz QWAPJEUQZJVBLU-SRVKXCTJSA-N 1 3 242.338 1.051 20 0 BDADHO C[C@@H]1CN(Cc2cc(C3CC3)no2)CC[C@@H]1C[NH3+] ZINC000923489404 644465763 /nfs/dbraw/zinc/46/57/63/644465763.db2.gz JNROOINFZBCKNR-ZYHUDNBSSA-N 1 3 249.358 1.969 20 0 BDADHO Cc1cc(CN2CC[C@H](C[NH3+])[C@H](C)C2)nc(C)n1 ZINC000923492697 644468117 /nfs/dbraw/zinc/46/81/17/644468117.db2.gz CAHMSHVSMKXWBA-ZWNOBZJWSA-N 1 3 248.374 1.510 20 0 BDADHO Cc1nc([C@H](C)N2CC[C@H](C[NH3+])[C@@H](C)C2)n[nH]1 ZINC000923493484 644470421 /nfs/dbraw/zinc/47/04/21/644470421.db2.gz HEXPXLGRNDXCPR-ATZCPNFKSA-N 1 3 237.351 1.091 20 0 BDADHO CCc1ncc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)o1 ZINC000923493773 644471128 /nfs/dbraw/zinc/47/11/28/644471128.db2.gz VEKRNWSREHVWKS-QWRGUYRKSA-N 1 3 237.347 1.654 20 0 BDADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)ncn1 ZINC000923493493 644471170 /nfs/dbraw/zinc/47/11/70/644471170.db2.gz HFJMTEISVLECLT-JQWIXIFHSA-N 1 3 234.347 1.202 20 0 BDADHO Cn1ncc2c1CCC[C@@H]2N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089149229 644536869 /nfs/dbraw/zinc/53/68/69/644536869.db2.gz NXNMEUCUOLVXPH-WXHSDQCUSA-N 1 3 248.374 1.515 20 0 BDADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C(C)(C)CO ZINC000926751988 645403803 /nfs/dbraw/zinc/40/38/03/645403803.db2.gz BWDAUVRIPRBPCH-CHWSQXEVSA-N 1 3 242.407 1.715 20 0 BDADHO CN1CC[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)C1 ZINC000925487228 645463819 /nfs/dbraw/zinc/46/38/19/645463819.db2.gz LYJLVFDMTFCKSB-RNJOBUHISA-N 1 3 237.391 1.057 20 0 BDADHO COCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925500793 645943247 /nfs/dbraw/zinc/94/32/47/645943247.db2.gz FJBJJGWWXKGGRD-QWHCGFSZSA-N 1 3 226.364 1.391 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924529605 646050583 /nfs/dbraw/zinc/05/05/83/646050583.db2.gz VYQUIHFZKGTUAR-WDNDVIMCSA-N 1 3 242.407 1.979 20 0 BDADHO COC/C(C)=C\C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000929637260 646216728 /nfs/dbraw/zinc/21/67/28/646216728.db2.gz GAHXWTVOVVDKMV-QWGHSUKYSA-N 1 3 226.364 1.463 20 0 BDADHO COC/C(C)=C\C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000929637260 646216732 /nfs/dbraw/zinc/21/67/32/646216732.db2.gz GAHXWTVOVVDKMV-QWGHSUKYSA-N 1 3 226.364 1.463 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(C)CCCO1 ZINC000925247896 646221055 /nfs/dbraw/zinc/22/10/55/646221055.db2.gz CSIFGDIHWILSAO-PIGZVRMJSA-N 1 3 238.375 1.485 20 0 BDADHO CC[C@H](CO)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929689127 646247105 /nfs/dbraw/zinc/24/71/05/646247105.db2.gz BWJPJHIFSDRIBD-ZIAGYGMSSA-N 1 3 240.391 1.708 20 0 BDADHO CCN1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925510339 646309091 /nfs/dbraw/zinc/30/90/91/646309091.db2.gz UZNVRUWGBQKIGY-QWHCGFSZSA-N 1 3 237.391 1.345 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1(C)C ZINC000925553421 646329112 /nfs/dbraw/zinc/32/91/12/646329112.db2.gz RHYXSSPCLPPLBQ-KGYLQXTDSA-N 1 3 237.391 1.199 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@H]1CCNC12CCC2 ZINC000925614454 646362992 /nfs/dbraw/zinc/36/29/92/646362992.db2.gz IWDTXZHWKSNXSF-LBPRGKRZSA-N 1 3 240.391 1.659 20 0 BDADHO Cc1cnccc1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925627460 646373454 /nfs/dbraw/zinc/37/34/54/646373454.db2.gz YZKIMQLKIMCTPV-KGLIPLIRSA-N 1 3 245.370 1.792 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000925641443 646382052 /nfs/dbraw/zinc/38/20/52/646382052.db2.gz YCQMYOUUCDOYKT-DOERSZECSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@@H](C)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925645339 646387009 /nfs/dbraw/zinc/38/70/09/646387009.db2.gz PLJSLOUCZBIQGI-WHOHXGKFSA-N 1 3 226.364 1.388 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C[C@H]1C ZINC000925648869 646389145 /nfs/dbraw/zinc/38/91/45/646389145.db2.gz YHACYBHANSKKOE-NDBYEHHHSA-N 1 3 226.364 1.389 20 0 BDADHO CCC(O)(CC)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925650195 646389639 /nfs/dbraw/zinc/38/96/39/646389639.db2.gz RXNTVFVFORAOCM-VXGBXAGGSA-N 1 3 240.391 1.787 20 0 BDADHO C[C@@H]1CC[C@@H](CN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925662010 646397237 /nfs/dbraw/zinc/39/72/37/646397237.db2.gz GAEVMCWRBPYOMN-IJLUTSLNSA-N 1 3 212.337 1.001 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CCC2)C12CCC2 ZINC000925675307 646404509 /nfs/dbraw/zinc/40/45/09/646404509.db2.gz VJXAOQVEBQFMRK-JHJVBQTASA-N 1 3 238.375 1.397 20 0 BDADHO C[C@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCC[C@@H]1O ZINC000925688113 646414121 /nfs/dbraw/zinc/41/41/21/646414121.db2.gz CZYHGRIWPOWXIY-NDBYEHHHSA-N 1 3 226.364 1.268 20 0 BDADHO CCCN1CC[C@H](N[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925708244 646432795 /nfs/dbraw/zinc/43/27/95/646432795.db2.gz REBWWOABXNGTOX-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO CCCN1CC[C@@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925708243 646432814 /nfs/dbraw/zinc/43/28/14/646432814.db2.gz REBWWOABXNGTOX-NEPJUHHUSA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@@H](O)C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925709841 646434714 /nfs/dbraw/zinc/43/47/14/646434714.db2.gz OSVKUIGAZXRPPU-MGPQQGTHSA-N 1 3 240.391 1.515 20 0 BDADHO FC1(F)C[C@H]1CC[NH2+][C@@H]1CCNC12CCC2 ZINC000925720065 646443902 /nfs/dbraw/zinc/44/39/02/646443902.db2.gz FDOLMKSWGRXABI-NXEZZACHSA-N 1 3 230.302 1.906 20 0 BDADHO C[C@H](NCCC(C)(C)[NH3+])c1cnccc1N ZINC000925737369 646459959 /nfs/dbraw/zinc/45/99/59/646459959.db2.gz NKLBITFVIHEWQO-VIFPVBQESA-N 1 3 222.336 1.272 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925735777 646461202 /nfs/dbraw/zinc/46/12/02/646461202.db2.gz IGGVJNAPVMNBMO-IJLUTSLNSA-N 1 3 224.348 1.286 20 0 BDADHO Nc1ccnc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)c1 ZINC000925768083 646469490 /nfs/dbraw/zinc/46/94/90/646469490.db2.gz SFUGGVMWHYEDCY-NWDGAFQWSA-N 1 3 232.331 1.023 20 0 BDADHO COC[C@H](C)[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000925771653 646473453 /nfs/dbraw/zinc/47/34/53/646473453.db2.gz ZLKMLBNGOOHDOG-UWVGGRQHSA-N 1 3 237.347 1.534 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000925779210 646476871 /nfs/dbraw/zinc/47/68/71/646476871.db2.gz ICESJGGNPANLAT-XVIXHAIJSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1CN ZINC000925824477 646496667 /nfs/dbraw/zinc/49/66/67/646496667.db2.gz UDSVGOCJUPCZEO-NMIFLECGSA-N 1 3 208.349 1.748 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000925832423 646501306 /nfs/dbraw/zinc/50/13/06/646501306.db2.gz PPPYDECMORAQQY-AXTSPUMRSA-N 1 3 236.281 1.902 20 0 BDADHO CCOCCOCC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000925875385 646524250 /nfs/dbraw/zinc/52/42/50/646524250.db2.gz SIZNNMYUYVREQP-OLZOCXBDSA-N 1 3 244.379 1.160 20 0 BDADHO Cc1ccc(NCCN[C@@H]2CCC[C@@H]2C[NH3+])nc1 ZINC000925877044 646527353 /nfs/dbraw/zinc/52/73/53/646527353.db2.gz DNKGVHCNNKYVMA-CHWSQXEVSA-N 1 3 248.374 1.519 20 0 BDADHO C1CC1(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000925893125 646534750 /nfs/dbraw/zinc/53/47/50/646534750.db2.gz LKRVIQIKQHOBGS-STQMWFEESA-N 1 3 238.375 1.820 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CCO)CC1 ZINC000926229018 646600013 /nfs/dbraw/zinc/60/00/13/646600013.db2.gz RKLBVBXYEFLCPI-FUNVUKJBSA-N 1 3 238.375 1.079 20 0 BDADHO CC(C)[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000926469213 646652145 /nfs/dbraw/zinc/65/21/45/646652145.db2.gz GODNUZQXVXDHJR-MGPQQGTHSA-N 1 3 242.407 1.835 20 0 BDADHO C[C@@H](C[NH2+][C@@H](C)c1cc[nH]c(=O)c1)CN(C)C ZINC000926475790 646653430 /nfs/dbraw/zinc/65/34/30/646653430.db2.gz WYARVTMCCIPXPJ-QWRGUYRKSA-N 1 3 237.347 1.636 20 0 BDADHO C[C@@H](CN[C@@H](C)c1cc[nH]c(=O)c1)C[NH+](C)C ZINC000926475790 646653434 /nfs/dbraw/zinc/65/34/34/646653434.db2.gz WYARVTMCCIPXPJ-QWRGUYRKSA-N 1 3 237.347 1.636 20 0 BDADHO CCC(CC)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000382202530 711553317 /nfs/dbraw/zinc/55/33/17/711553317.db2.gz JOZPEPFKWIJJNK-WXDOIIRRSA-N 1 3 208.349 1.761 20 0 BDADHO [NH3+]C[C@@H]1CN(CCCC2CC2)CCCO1 ZINC000313348410 711718722 /nfs/dbraw/zinc/71/87/22/711718722.db2.gz UEZPRZDCBFBULJ-GFCCVEGCSA-N 1 3 212.337 1.226 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622187 711771100 /nfs/dbraw/zinc/77/11/00/711771100.db2.gz IVJRZULEFHURKF-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879622187 711771101 /nfs/dbraw/zinc/77/11/01/711771101.db2.gz IVJRZULEFHURKF-OLZOCXBDSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CCCSC1)N(C)C ZINC000700490164 711994666 /nfs/dbraw/zinc/99/46/66/711994666.db2.gz YHTSFEPBMUQARA-QWRGUYRKSA-N 1 3 216.394 1.812 20 0 BDADHO COc1cc(CN(C)C2CCC([NH3+])CC2)on1 ZINC000705594053 712131864 /nfs/dbraw/zinc/13/18/64/712131864.db2.gz UXEJDLZKFPGXQF-UHFFFAOYSA-N 1 3 239.319 1.385 20 0 BDADHO CN(C[C@H]1CC(C)(C)CO1)CC(C)(C)C[NH3+] ZINC000708338523 712188952 /nfs/dbraw/zinc/18/89/52/712188952.db2.gz DLQLYUGQQBEQRL-LLVKDONJSA-N 1 3 228.380 1.718 20 0 BDADHO COC1(OC)CC[C@@H]1[NH2+][C@H](C)CCN(C)C ZINC000710962439 712269131 /nfs/dbraw/zinc/26/91/31/712269131.db2.gz SRBNHCCZKLCQHK-MNOVXSKESA-N 1 3 230.352 1.068 20 0 BDADHO COC1(OC)CC[C@H]1[NH2+]CC(C)(C)CN(C)C ZINC000710985681 712271789 /nfs/dbraw/zinc/27/17/89/712271789.db2.gz CHCFYKRRFXOXIP-LLVKDONJSA-N 1 3 244.379 1.315 20 0 BDADHO CC[C@H]1COC[C@H]1NCC(C)(C)C[NH+](C)C ZINC000711105698 712280692 /nfs/dbraw/zinc/28/06/92/712280692.db2.gz CZGCUNRSOLPHCD-NWDGAFQWSA-N 1 3 228.380 1.589 20 0 BDADHO CCC[N@H+](CCOC1CC1)C1CCNCC1 ZINC000711760304 712326396 /nfs/dbraw/zinc/32/63/96/712326396.db2.gz SOELSNOOYXSEBT-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CCC[N@@H+](CCOC1CC1)C1CCNCC1 ZINC000711760304 712326397 /nfs/dbraw/zinc/32/63/97/712326397.db2.gz SOELSNOOYXSEBT-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CCCN(CCOC1CC1)C1CC[NH2+]CC1 ZINC000711760304 712326398 /nfs/dbraw/zinc/32/63/98/712326398.db2.gz SOELSNOOYXSEBT-UHFFFAOYSA-N 1 3 226.364 1.629 20 0 BDADHO CCCN1CCC([NH2+]C[C@@H]2CCN2C)CC1 ZINC000712554356 712444951 /nfs/dbraw/zinc/44/49/51/712444951.db2.gz BKKJLJZWMSKLDC-ZDUSSCGKSA-N 1 3 225.380 1.155 20 0 BDADHO CSCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000719297466 712804080 /nfs/dbraw/zinc/80/40/80/712804080.db2.gz CGEPICPHKLDFIL-LBPRGKRZSA-N 1 3 228.405 1.671 20 0 BDADHO Cc1nccn1CCC[NH2+]Cc1c[nH]cn1 ZINC000381402684 710633424 /nfs/dbraw/zinc/63/34/24/710633424.db2.gz RNHTUVZJOSLIFQ-UHFFFAOYSA-N 1 3 219.292 1.095 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CC23CC(O)C3)CC1 ZINC000724991146 710752957 /nfs/dbraw/zinc/75/29/57/710752957.db2.gz AZJHVPZGFVRDRD-MOKVOYLWSA-N 1 3 238.375 1.362 20 0 BDADHO Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000380641781 712902140 /nfs/dbraw/zinc/90/21/40/712902140.db2.gz UFCMEQGVYUJDKI-AGUYFDCRSA-N 1 3 248.374 1.406 20 0 BDADHO CCCCOCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396638322 711361529 /nfs/dbraw/zinc/36/15/29/711361529.db2.gz LZUUOTHJXCEISR-STQMWFEESA-N 1 3 228.380 1.923 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CCCCO1 ZINC000396602617 711358425 /nfs/dbraw/zinc/35/84/25/711358425.db2.gz NVNJLCCCBIMLJO-XQQFMLRXSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCC1(C2CC2)CC1 ZINC000396708655 711364465 /nfs/dbraw/zinc/36/44/65/711364465.db2.gz OKBOFTFNFROMII-ZYHUDNBSSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC(C)(C)CCO ZINC000396698884 711367545 /nfs/dbraw/zinc/36/75/45/711367545.db2.gz MRPYEBXFHMTUOQ-QWRGUYRKSA-N 1 3 214.353 1.125 20 0 BDADHO Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723670496 711533360 /nfs/dbraw/zinc/53/33/60/711533360.db2.gz SZTGZICRLJBKRY-LLVKDONJSA-N 1 3 235.331 1.266 20 0 BDADHO Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CC[NH3+])C2)n1 ZINC000723670496 711533362 /nfs/dbraw/zinc/53/33/62/711533362.db2.gz SZTGZICRLJBKRY-LLVKDONJSA-N 1 3 235.331 1.266 20 0 BDADHO [NH3+]CC[C@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC000723712205 711535946 /nfs/dbraw/zinc/53/59/46/711535946.db2.gz OASZNFGKRUCLLH-JTQLQIEISA-N 1 3 239.750 1.906 20 0 BDADHO Cc1csc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000723908329 711544900 /nfs/dbraw/zinc/54/49/00/711544900.db2.gz HMFNQZQJUOFSQW-MWLCHTKSSA-N 1 3 239.388 1.868 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CNc2ccncc2CO)C1 ZINC000891967021 711562810 /nfs/dbraw/zinc/56/28/10/711562810.db2.gz CNQDIYXDBBOIHK-LBPRGKRZSA-N 1 3 249.358 1.140 20 0 BDADHO CCC[N@H+]1CC[C@@H](CNc2ccncc2CO)C1 ZINC000891967021 711562813 /nfs/dbraw/zinc/56/28/13/711562813.db2.gz CNQDIYXDBBOIHK-LBPRGKRZSA-N 1 3 249.358 1.140 20 0 BDADHO COC[C@H](CN1CC2CC1(C[NH3+])C2)C(C)C ZINC000721709126 711707090 /nfs/dbraw/zinc/70/70/90/711707090.db2.gz UXGUXUUENZEUFY-CPCZMJQVSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@H](NC[C@@H]1CC[C@@H](C2CC2)O1)C1C[NH2+]C1 ZINC000722325350 711737475 /nfs/dbraw/zinc/73/74/75/711737475.db2.gz PPAAEPCRZLBFCZ-XDTLVQLUSA-N 1 3 224.348 1.142 20 0 BDADHO COC[C@@H](C[NH+]1CCC(N)CC1)C(C)C ZINC000721916483 711918805 /nfs/dbraw/zinc/91/88/05/711918805.db2.gz XPCZCUBYAUXDOL-LLVKDONJSA-N 1 3 214.353 1.328 20 0 BDADHO COC[C@@H](CN1CCC([NH3+])CC1)C(C)C ZINC000721916483 711918806 /nfs/dbraw/zinc/91/88/06/711918806.db2.gz XPCZCUBYAUXDOL-LLVKDONJSA-N 1 3 214.353 1.328 20 0 BDADHO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)[C@@H](CN)C2)C1 ZINC000721928810 711938029 /nfs/dbraw/zinc/93/80/29/711938029.db2.gz VQDLSSMZUJPJGR-NDBYEHHHSA-N 1 3 226.364 1.328 20 0 BDADHO CO[C@H]1C[C@@H](C[N@H+]2CC[C@@H](C)[C@@H](CN)C2)C1 ZINC000721928810 711938031 /nfs/dbraw/zinc/93/80/31/711938031.db2.gz VQDLSSMZUJPJGR-NDBYEHHHSA-N 1 3 226.364 1.328 20 0 BDADHO CO[C@H](C)[C@@H](C)NCC[C@H](C)[NH+](C)C ZINC000700488162 711994251 /nfs/dbraw/zinc/99/42/51/711994251.db2.gz CZHAYYLNLSLOCO-HBNTYKKESA-N 1 3 202.342 1.340 20 0 BDADHO CO[C@H](C)[C@H](C)NCC[C@H](C)[NH+](C)C ZINC000700488159 711994849 /nfs/dbraw/zinc/99/48/49/711994849.db2.gz CZHAYYLNLSLOCO-GARJFASQSA-N 1 3 202.342 1.340 20 0 BDADHO CSC1CC([NH2+]C[C@H](C)CN(C)C)C1 ZINC000706775010 712155359 /nfs/dbraw/zinc/15/53/59/712155359.db2.gz JCPUTZYOXKDGCS-WHXUTIOJSA-N 1 3 216.394 1.668 20 0 BDADHO C[C@@]1(C[N@@H+]2CC[C@]3(CCOC3)C2)CCCNC1 ZINC000707211443 712167211 /nfs/dbraw/zinc/16/72/11/712167211.db2.gz BFNTYUCBULXXIG-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO C[C@@]1(C[N@H+]2CC[C@]3(CCOC3)C2)CCCNC1 ZINC000707211443 712167213 /nfs/dbraw/zinc/16/72/13/712167213.db2.gz BFNTYUCBULXXIG-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO CN[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681291 712215612 /nfs/dbraw/zinc/21/56/12/712215612.db2.gz BBOUTSAKQSOYBG-VXGBXAGGSA-N 1 3 240.391 1.874 20 0 BDADHO CN[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681291 712215613 /nfs/dbraw/zinc/21/56/13/712215613.db2.gz BBOUTSAKQSOYBG-VXGBXAGGSA-N 1 3 240.391 1.874 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCc1ccns1 ZINC000709824814 712228586 /nfs/dbraw/zinc/22/85/86/712228586.db2.gz JBPGDLPIQFNBCI-CMPLNLGQSA-N 1 3 239.388 1.793 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC000709824814 712228587 /nfs/dbraw/zinc/22/85/87/712228587.db2.gz JBPGDLPIQFNBCI-CMPLNLGQSA-N 1 3 239.388 1.793 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCc1ccns1 ZINC000709968001 712235803 /nfs/dbraw/zinc/23/58/03/712235803.db2.gz UNWIWBBUVBVDCO-NXEZZACHSA-N 1 3 225.361 1.401 20 0 BDADHO CC[C@@H]1COC[C@@H]1NC[C@@H](C)C[NH+](C)C ZINC000711075137 712279143 /nfs/dbraw/zinc/27/91/43/712279143.db2.gz OZTHGTJNVVOIPF-UTUOFQBUSA-N 1 3 214.353 1.199 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCC2(CCC2)O1 ZINC000711428556 712299045 /nfs/dbraw/zinc/29/90/45/712299045.db2.gz ZLWMXYMFTRZHHW-IJLUTSLNSA-N 1 3 238.375 1.804 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711428556 712299047 /nfs/dbraw/zinc/29/90/47/712299047.db2.gz ZLWMXYMFTRZHHW-IJLUTSLNSA-N 1 3 238.375 1.804 20 0 BDADHO C(C[NH2+]C1CC1)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711550504 712309044 /nfs/dbraw/zinc/30/90/44/712309044.db2.gz FFDVVHDCOZWIET-PHIMTYICSA-N 1 3 226.389 1.423 20 0 BDADHO C(CNC1CC1)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711550504 712309046 /nfs/dbraw/zinc/30/90/46/712309046.db2.gz FFDVVHDCOZWIET-PHIMTYICSA-N 1 3 226.389 1.423 20 0 BDADHO C(CNC1CC1)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711550504 712309047 /nfs/dbraw/zinc/30/90/47/712309047.db2.gz FFDVVHDCOZWIET-PHIMTYICSA-N 1 3 226.389 1.423 20 0 BDADHO [NH3+]C1CCC(NCc2nccn2C2CC2)CC1 ZINC000711748692 712324227 /nfs/dbraw/zinc/32/42/27/712324227.db2.gz IAVFHUQRTHKOCU-UHFFFAOYSA-N 1 3 234.347 1.578 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712438279 712429814 /nfs/dbraw/zinc/42/98/14/712429814.db2.gz OASJFDLRVUFNBC-RWMBFGLXSA-N 1 3 238.375 1.757 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712581739 712433323 /nfs/dbraw/zinc/43/33/23/712433323.db2.gz NSJVOPDBIAWRDN-MELADBBJSA-N 1 3 237.391 1.297 20 0 BDADHO CCN1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712581739 712433324 /nfs/dbraw/zinc/43/33/24/712433324.db2.gz NSJVOPDBIAWRDN-MELADBBJSA-N 1 3 237.391 1.297 20 0 BDADHO C=C/C=C/CCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000713751701 712471009 /nfs/dbraw/zinc/47/10/09/712471009.db2.gz ZXMXYLCVSNPBKW-RDFMZFSFSA-N 1 3 235.375 1.098 20 0 BDADHO C[NH2+]CCCN(C)CC[C@@H]1C[C@H]1C1CC1 ZINC000714844086 712501915 /nfs/dbraw/zinc/50/19/15/712501915.db2.gz ANMVFPKAKWEKMX-OLZOCXBDSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715562832 712528939 /nfs/dbraw/zinc/52/89/39/712528939.db2.gz RKBPVHXUYSWXLK-VOAKCMCISA-N 1 3 226.364 1.484 20 0 BDADHO C[C@@H]1COC[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715562832 712528940 /nfs/dbraw/zinc/52/89/40/712528940.db2.gz RKBPVHXUYSWXLK-VOAKCMCISA-N 1 3 226.364 1.484 20 0 BDADHO Cc1n[nH]c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1C ZINC000716463543 712562732 /nfs/dbraw/zinc/56/27/32/712562732.db2.gz NXSNFUGLXNCSFP-BXKDBHETSA-N 1 3 236.363 1.599 20 0 BDADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CN ZINC000716549092 712567554 /nfs/dbraw/zinc/56/75/54/712567554.db2.gz ZFMGNBZYNKXRPO-HUXGKSLCSA-N 1 3 222.376 1.996 20 0 BDADHO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[C@H]1CN ZINC000716549096 712567567 /nfs/dbraw/zinc/56/75/67/712567567.db2.gz ZFMGNBZYNKXRPO-WZBKEBKWSA-N 1 3 222.376 1.996 20 0 BDADHO CC1(C)CO[C@H](CC[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000717282047 712644705 /nfs/dbraw/zinc/64/47/05/712644705.db2.gz FWZOXMFFAWVCDN-XQQFMLRXSA-N 1 3 240.391 1.909 20 0 BDADHO CC1(C)CO[C@H](CN[C@@H]2CC[NH2+]CC2(C)C)C1 ZINC000717318089 712646779 /nfs/dbraw/zinc/64/67/79/712646779.db2.gz NMTLTXPDYZUNEM-NWDGAFQWSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)CO[C@H](C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000717318089 712646780 /nfs/dbraw/zinc/64/67/80/712646780.db2.gz NMTLTXPDYZUNEM-NWDGAFQWSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)CO[C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000717612275 712662515 /nfs/dbraw/zinc/66/25/15/712662515.db2.gz DSGYBBQMGLIHCJ-SRVKXCTJSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)CO[C@H](C[NH2+][C@H]2C[C@H](N)C23CCC3)C1 ZINC000717612275 712662516 /nfs/dbraw/zinc/66/25/16/712662516.db2.gz DSGYBBQMGLIHCJ-SRVKXCTJSA-N 1 3 238.375 1.661 20 0 BDADHO CCC[N@H+](C[C@@H](O)CC)C1CCNCC1 ZINC000037689211 712738931 /nfs/dbraw/zinc/73/89/31/712738931.db2.gz RZJUQESPWWKARS-LBPRGKRZSA-N 1 3 214.353 1.221 20 0 BDADHO CCC[N@@H+](C[C@@H](O)CC)C1CCNCC1 ZINC000037689211 712738934 /nfs/dbraw/zinc/73/89/34/712738934.db2.gz RZJUQESPWWKARS-LBPRGKRZSA-N 1 3 214.353 1.221 20 0 BDADHO CC(C)CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874202 712873121 /nfs/dbraw/zinc/87/31/21/712873121.db2.gz WSGJTCHDZYFEGV-DTWKUNHWSA-N 1 3 224.270 1.711 20 0 BDADHO COC1CC(C[NH2+][C@@H]2CCN[C@H](C)C2)C1 ZINC000705481732 957268076 /nfs/dbraw/zinc/26/80/76/957268076.db2.gz KRQZONJTCUDQFD-QTAHKJALSA-N 1 3 212.337 1.142 20 0 BDADHO Cc1c[nH+]c(N2CCN(CC(C)C)CC2)cc1N ZINC000133179559 719336633 /nfs/dbraw/zinc/33/66/33/719336633.db2.gz DBNCUJPAIMMCBG-UHFFFAOYSA-N 1 3 248.374 1.750 20 0 BDADHO CC1(C)CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000382670365 958713264 /nfs/dbraw/zinc/71/32/64/958713264.db2.gz QNVAZDFJQUXMCQ-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H](C)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152427231 962428156 /nfs/dbraw/zinc/42/81/56/962428156.db2.gz USVKXLRHUSAREV-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO CSCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396545388 963557545 /nfs/dbraw/zinc/55/75/45/963557545.db2.gz DPPICZYYTSIWLM-VHSXEESVSA-N 1 3 202.367 1.470 20 0 BDADHO C[C@H](CCNC[C@H]1CCC=CO1)[NH+](C)C ZINC000697877622 964603144 /nfs/dbraw/zinc/60/31/44/964603144.db2.gz CCZZVLPGPCBZLG-VXGBXAGGSA-N 1 3 212.337 1.609 20 0 BDADHO CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001483505069 965027289 /nfs/dbraw/zinc/02/72/89/965027289.db2.gz PUHWDPKZNMYKTP-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H](C)CN ZINC001168465169 965805238 /nfs/dbraw/zinc/80/52/38/965805238.db2.gz PKSWMNCVIMNELF-WDEREUQCSA-N 1 3 224.323 1.941 20 0 BDADHO CCC[C@H](O)C[N@H+](C)CCCN1CCCC1 ZINC001252783677 968956027 /nfs/dbraw/zinc/95/60/27/968956027.db2.gz IQVQZERLLXFCLC-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CCC[C@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC001252783677 968956034 /nfs/dbraw/zinc/95/60/34/968956034.db2.gz IQVQZERLLXFCLC-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CC1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253383677 969146934 /nfs/dbraw/zinc/14/69/34/969146934.db2.gz HZBGLDAJAINYHJ-BPCQOVAHSA-N 1 3 242.407 1.904 20 0 BDADHO CC[NH+]1CCC(CN2CC[C@@H](F)C2)CC1 ZINC001208593131 969152809 /nfs/dbraw/zinc/15/28/09/969152809.db2.gz OBPIDKWRJHOLJF-GFCCVEGCSA-N 1 3 214.328 1.762 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1C[C@@H]1CCCN(C)C1 ZINC001208606735 969164997 /nfs/dbraw/zinc/16/49/97/969164997.db2.gz GTYYZVCLFZZMCL-BFHYXJOUSA-N 1 3 239.407 1.353 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C[C@@H]1CCCN(C)C1 ZINC001208606735 969165003 /nfs/dbraw/zinc/16/50/03/969165003.db2.gz GTYYZVCLFZZMCL-BFHYXJOUSA-N 1 3 239.407 1.353 20 0 BDADHO CCOC(C)(C)CN1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209077102 969348489 /nfs/dbraw/zinc/34/84/89/969348489.db2.gz YGIAVBZUYLYSFW-TZMCWYRMSA-N 1 3 240.391 1.685 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCSCC1)C2 ZINC001169129130 969438148 /nfs/dbraw/zinc/43/81/48/969438148.db2.gz GYVFDRNNNNLVKZ-GDNZZTSVSA-N 1 3 226.389 1.660 20 0 BDADHO CCN1CCC([N@H+](C)[C@@H]2CCN(C)C2)CC1 ZINC001169258733 969544500 /nfs/dbraw/zinc/54/45/00/969544500.db2.gz PJVJMLGVCRBDKA-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CCN1CCC([N@@H+](C)[C@@H]2CCN(C)C2)CC1 ZINC001169258733 969544509 /nfs/dbraw/zinc/54/45/09/969544509.db2.gz PJVJMLGVCRBDKA-CYBMUJFWSA-N 1 3 225.380 1.107 20 0 BDADHO CCN(CCC[NH+](C)C)[C@@H]1CCSC1 ZINC001255295184 970058036 /nfs/dbraw/zinc/05/80/36/970058036.db2.gz VQGZAEWFBOTICZ-LLVKDONJSA-N 1 3 216.394 1.766 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001255945443 970566078 /nfs/dbraw/zinc/56/60/78/970566078.db2.gz FYOYADVXGCYKAL-WUHRBBMRSA-N 1 3 226.364 1.341 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC001255945443 970566083 /nfs/dbraw/zinc/56/60/83/970566083.db2.gz FYOYADVXGCYKAL-WUHRBBMRSA-N 1 3 226.364 1.341 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(O)CCC1 ZINC001255947171 970583381 /nfs/dbraw/zinc/58/33/81/970583381.db2.gz OZKIIIIZJSOVRF-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCC1(O)CCC1 ZINC001255947171 970583400 /nfs/dbraw/zinc/58/34/00/970583400.db2.gz OZKIIIIZJSOVRF-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N1CCC[C@H](O)CC1 ZINC001255956030 970596845 /nfs/dbraw/zinc/59/68/45/970596845.db2.gz GBFKHZTWRLHYJE-KBPBESRZSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@H](C[NH3+])CNC1Cc2cc(F)c(F)cc2C1 ZINC001173476727 975380523 /nfs/dbraw/zinc/38/05/23/975380523.db2.gz TUEWSEDIGFHGPR-QMMMGPOBSA-N 1 3 240.297 1.616 20 0 BDADHO C[C@@H](CN)C[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476727 975380527 /nfs/dbraw/zinc/38/05/27/975380527.db2.gz TUEWSEDIGFHGPR-QMMMGPOBSA-N 1 3 240.297 1.616 20 0 BDADHO CC1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)OCCO1 ZINC001334391650 976487229 /nfs/dbraw/zinc/48/72/29/976487229.db2.gz WZKLARCMLBETRZ-GHMZBOCLSA-N 1 3 242.363 1.245 20 0 BDADHO C[NH+](C)[C@@H]1C[C@H](NC[C@@H](O)C2CC2)C1(C)C ZINC001335469586 977081686 /nfs/dbraw/zinc/08/16/86/977081686.db2.gz NSQQIWKXBVMAFR-GRYCIOLGSA-N 1 3 226.364 1.076 20 0 BDADHO CC1(CN2C[C@@H]3CC[C@@]3([NH3+])C2)CCOCC1 ZINC001235980868 979257122 /nfs/dbraw/zinc/25/71/22/979257122.db2.gz RYIFFDCKNHANHJ-WCQYABFASA-N 1 3 224.348 1.226 20 0 BDADHO CC1(CN2C[C@@H]3CC[C@]3([NH3+])C2)CCOCC1 ZINC001235980865 979255702 /nfs/dbraw/zinc/25/57/02/979255702.db2.gz RYIFFDCKNHANHJ-AAEUAGOBSA-N 1 3 224.348 1.226 20 0 BDADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC001199842933 983024923 /nfs/dbraw/zinc/02/49/23/983024923.db2.gz JNRWPRJZKMAPQZ-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CC(C)(C)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000200043613 983944244 /nfs/dbraw/zinc/94/42/44/983944244.db2.gz WFSBDUPRTQFXTA-GFCCVEGCSA-N 1 3 226.364 1.316 20 0 BDADHO CC(C)(C)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000200043613 983944259 /nfs/dbraw/zinc/94/42/59/983944259.db2.gz WFSBDUPRTQFXTA-GFCCVEGCSA-N 1 3 226.364 1.316 20 0 BDADHO CCOCC[C@H](C)N1CCC([NH+]2CCC2)CC1 ZINC001172430930 974713755 /nfs/dbraw/zinc/71/37/55/974713755.db2.gz KGFSFYGRCDKIKC-ZDUSSCGKSA-N 1 3 240.391 1.972 20 0 BDADHO CC(C)COCC[C@H](C)[NH2+]C[C@@H](C)CN ZINC001172463389 974828123 /nfs/dbraw/zinc/82/81/23/974828123.db2.gz NQGZHEINWXIKAG-RYUDHWBXSA-N 1 3 216.369 1.622 20 0 BDADHO CCCCCC[C@@H](C)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582472 972945468 /nfs/dbraw/zinc/94/54/68/972945468.db2.gz ZJIWXNJURGZAOU-AGIUHOORSA-N 1 3 228.380 1.597 20 0 BDADHO COC(=O)[C@H]1CCC[N@H+](C2CCNCC2)[C@@H]1C ZINC001246825096 973120799 /nfs/dbraw/zinc/12/07/99/973120799.db2.gz UCJVQJKUDVHCJW-PWSUYJOCSA-N 1 3 240.347 1.012 20 0 BDADHO COC(=O)[C@H]1CCC[N@@H+](C2CCNCC2)[C@@H]1C ZINC001246825096 973120824 /nfs/dbraw/zinc/12/08/24/973120824.db2.gz UCJVQJKUDVHCJW-PWSUYJOCSA-N 1 3 240.347 1.012 20 0 BDADHO C[C@H](Cc1ccccn1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001256420152 970826197 /nfs/dbraw/zinc/82/61/97/970826197.db2.gz BFZRQBDBXXFPAK-MCIONIFRSA-N 1 3 245.370 1.506 20 0 BDADHO C[C@H](Cc1ccccn1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001256420152 970826201 /nfs/dbraw/zinc/82/62/01/970826201.db2.gz BFZRQBDBXXFPAK-MCIONIFRSA-N 1 3 245.370 1.506 20 0 BDADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](C)CC)N(C)C ZINC001130203303 970947674 /nfs/dbraw/zinc/94/76/74/970947674.db2.gz IYEYQJWSIWRJFZ-NWDGAFQWSA-N 1 3 243.395 1.079 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@](C)(CO)C2)CC1 ZINC001257214299 971125986 /nfs/dbraw/zinc/12/59/86/971125986.db2.gz AAWHBXWWVKZINM-CQSZACIVSA-N 1 3 240.391 1.564 20 0 BDADHO CC(C)[NH+]1CCC(n2ccc([C@@H](C)N)n2)CC1 ZINC001257207706 971127358 /nfs/dbraw/zinc/12/73/58/971127358.db2.gz DGFAQJHSCYVYSF-LLVKDONJSA-N 1 3 236.363 1.948 20 0 BDADHO CO[C@H](C[NH2+][C@H]1C[C@@H](N)C12CCC2)C(C)C ZINC000405214803 971207002 /nfs/dbraw/zinc/20/70/02/971207002.db2.gz JPKWJFKNCINXJB-UTUOFQBUSA-N 1 3 226.364 1.517 20 0 BDADHO CO[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)C(C)C ZINC000405214803 971207012 /nfs/dbraw/zinc/20/70/12/971207012.db2.gz JPKWJFKNCINXJB-UTUOFQBUSA-N 1 3 226.364 1.517 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@H](N)C12CCC2)OC ZINC000405215554 971207332 /nfs/dbraw/zinc/20/73/32/971207332.db2.gz JUQZVMAZRNYVGD-CYDGBPFRSA-N 1 3 240.391 1.907 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)OC ZINC000405215554 971207337 /nfs/dbraw/zinc/20/73/37/971207337.db2.gz JUQZVMAZRNYVGD-CYDGBPFRSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405203601 971207370 /nfs/dbraw/zinc/20/73/70/971207370.db2.gz CCJQYMPDPYDYBT-XWLWVQCSSA-N 1 3 212.337 1.005 20 0 BDADHO CC[C@H]([NH2+][C@@H]1C[C@H](N)C12CCC2)[C@H](C)O ZINC000405237106 971216756 /nfs/dbraw/zinc/21/67/56/971216756.db2.gz FGDYUZJBMLLUDK-XWLWVQCSSA-N 1 3 212.337 1.005 20 0 BDADHO CC[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405316510 971231915 /nfs/dbraw/zinc/23/19/15/971231915.db2.gz RRYGEXINEUJMOP-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)OC ZINC000405316510 971231921 /nfs/dbraw/zinc/23/19/21/971231921.db2.gz RRYGEXINEUJMOP-GMTAPVOTSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CCCCO2)C12CCC2 ZINC000405367920 971242488 /nfs/dbraw/zinc/24/24/88/971242488.db2.gz XKURVDCOKOXVPE-UTUOFQBUSA-N 1 3 224.348 1.415 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C12CCC2 ZINC000405367920 971242498 /nfs/dbraw/zinc/24/24/98/971242498.db2.gz XKURVDCOKOXVPE-UTUOFQBUSA-N 1 3 224.348 1.415 20 0 BDADHO CCC[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)OC ZINC000405392337 971247321 /nfs/dbraw/zinc/24/73/21/971247321.db2.gz HBSKLVSDDGMTKC-IJLUTSLNSA-N 1 3 226.364 1.661 20 0 BDADHO CCC[C@H](C[NH2+][C@@H]1C[C@@H](N)C12CCC2)OC ZINC000405392337 971247325 /nfs/dbraw/zinc/24/73/25/971247325.db2.gz HBSKLVSDDGMTKC-IJLUTSLNSA-N 1 3 226.364 1.661 20 0 BDADHO CC(C)OCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405351473 971243391 /nfs/dbraw/zinc/24/33/91/971243391.db2.gz OKTGMWMTTPZUKO-QWRGUYRKSA-N 1 3 212.337 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CCCCO2)C12CCC2 ZINC000405367913 971244067 /nfs/dbraw/zinc/24/40/67/971244067.db2.gz XKURVDCOKOXVPE-IJLUTSLNSA-N 1 3 224.348 1.415 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C12CCC2 ZINC000405367913 971244077 /nfs/dbraw/zinc/24/40/77/971244077.db2.gz XKURVDCOKOXVPE-IJLUTSLNSA-N 1 3 224.348 1.415 20 0 BDADHO CCCCOCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405394002 971248271 /nfs/dbraw/zinc/24/82/71/971248271.db2.gz HRJBIIZPVRJZOA-NWDGAFQWSA-N 1 3 226.364 1.663 20 0 BDADHO CSCC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405395430 971249076 /nfs/dbraw/zinc/24/90/76/971249076.db2.gz IFUGMXRZGVKPSN-DTWKUNHWSA-N 1 3 200.351 1.209 20 0 BDADHO CSCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405395430 971249080 /nfs/dbraw/zinc/24/90/80/971249080.db2.gz IFUGMXRZGVKPSN-DTWKUNHWSA-N 1 3 200.351 1.209 20 0 BDADHO COC[C@H]([NH2+][C@H]1C[C@@H](N)C12CCC2)C(C)C ZINC000405444215 971256506 /nfs/dbraw/zinc/25/65/06/971256506.db2.gz WDSVYIBCCRMXOU-TUAOUCFPSA-N 1 3 226.364 1.517 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@H]1OC[C@H]1COC(C)(C)N1 ZINC001217782513 971402779 /nfs/dbraw/zinc/40/27/79/971402779.db2.gz VXBQVYGPEJSLGZ-GRYCIOLGSA-N 1 3 242.363 1.116 20 0 BDADHO C[C@@H]1C[NH2+]CCC[C@@H]1OC[C@@H]1COC(C)(C)N1 ZINC001217782517 971403398 /nfs/dbraw/zinc/40/33/98/971403398.db2.gz VXBQVYGPEJSLGZ-UTUOFQBUSA-N 1 3 242.363 1.116 20 0 BDADHO COC(=O)C1CCC([N@@H+]2CCC[C@@H](N)C2)CC1 ZINC001257854667 971504492 /nfs/dbraw/zinc/50/44/92/971504492.db2.gz GPOQIXALODRGDR-MOENNCHZSA-N 1 3 240.347 1.141 20 0 BDADHO COC(=O)C1CCC([N@H+]2CCC[C@@H](N)C2)CC1 ZINC001257854667 971504498 /nfs/dbraw/zinc/50/44/98/971504498.db2.gz GPOQIXALODRGDR-MOENNCHZSA-N 1 3 240.347 1.141 20 0 BDADHO Cc1ccc(F)cc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218809776 971942029 /nfs/dbraw/zinc/94/20/29/971942029.db2.gz QCVHKUYKNFAQOY-JTQLQIEISA-N 1 3 239.294 1.139 20 0 BDADHO C=Cc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218841729 971953774 /nfs/dbraw/zinc/95/37/74/971953774.db2.gz SKXFTYDNMCRWED-ZDUSSCGKSA-N 1 3 247.342 1.724 20 0 BDADHO N[C@@H](CCC[NH3+])C(=O)Nc1cccc2cc[nH]c21 ZINC001219110133 971984402 /nfs/dbraw/zinc/98/44/02/971984402.db2.gz MHMKBJLDUZPARB-JTQLQIEISA-N 1 3 246.314 1.173 20 0 BDADHO CC(C)[C@@H](C)NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001219551722 972021617 /nfs/dbraw/zinc/02/16/17/972021617.db2.gz HJSDXMXCLFKSNE-NEPJUHHUSA-N 1 3 243.395 1.206 20 0 BDADHO N[C@H](CCC[NH3+])Nc1ccc(OC2CC2)cc1 ZINC001170899945 972064066 /nfs/dbraw/zinc/06/40/66/972064066.db2.gz GVJWRHGJLLLHNJ-ZDUSSCGKSA-N 1 3 235.331 1.663 20 0 BDADHO N[C@@H](CCC[NH3+])N[C@H](F)c1ccnc(Cl)c1 ZINC001159784468 972110622 /nfs/dbraw/zinc/11/06/22/972110622.db2.gz JBRDUKWUOSLBHW-ZJUUUORDSA-N 1 3 246.717 1.316 20 0 BDADHO C[C@H](N)c1nccn1[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246079660 972131015 /nfs/dbraw/zinc/13/10/15/972131015.db2.gz DWWCZYGKBPSNRQ-UTLUCORTSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170968337 972182314 /nfs/dbraw/zinc/18/23/14/972182314.db2.gz DLHFOHMKCFZULX-CMPLNLGQSA-N 1 3 236.334 1.867 20 0 BDADHO CC(C)CCC[C@H](C)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220250262 972199351 /nfs/dbraw/zinc/19/93/51/972199351.db2.gz URUTUDWBZPUWDI-RYUDHWBXSA-N 1 3 243.395 1.384 20 0 BDADHO CCOC(=O)CCCC[NH2+]C1CCNCC1 ZINC001246188279 972212548 /nfs/dbraw/zinc/21/25/48/972212548.db2.gz RTIAESPLOOZDEK-UHFFFAOYSA-N 1 3 228.336 1.061 20 0 BDADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](C)N ZINC001220384487 972218802 /nfs/dbraw/zinc/21/88/02/972218802.db2.gz VVQHPMDFYGSWMH-PWSUYJOCSA-N 1 3 247.342 1.469 20 0 BDADHO CN1CCC[C@@H](C[N@@H+]2CCOCC23CCC3)C1 ZINC001208613128 957097750 /nfs/dbraw/zinc/09/77/50/957097750.db2.gz PQZXYJXMVLZAAY-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@@H](C[N@H+]2CCOCC23CCC3)C1 ZINC001208613128 957097762 /nfs/dbraw/zinc/09/77/62/957097762.db2.gz PQZXYJXMVLZAAY-CYBMUJFWSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@H](C[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001208614981 957108685 /nfs/dbraw/zinc/10/86/85/957108685.db2.gz GJMSPUQLBIYRGY-ZDUSSCGKSA-N 1 3 239.407 1.354 20 0 BDADHO CN1CCC[C@H](C[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001208614981 957108695 /nfs/dbraw/zinc/10/86/95/957108695.db2.gz GJMSPUQLBIYRGY-ZDUSSCGKSA-N 1 3 239.407 1.354 20 0 BDADHO C[C@H]1C[C@@H]1C[NH+]1CCC2(CN(C)C2)CC1 ZINC001209426966 957450526 /nfs/dbraw/zinc/45/05/26/957450526.db2.gz HAIBRSPHLRUTQB-NWDGAFQWSA-N 1 3 208.349 1.670 20 0 BDADHO CC(C)P(CCNC(=O)[C@@H]1CC[NH2+]1)C(C)C ZINC001221254629 972305305 /nfs/dbraw/zinc/30/53/05/972305305.db2.gz RPMRWVCGSBGRCP-NSHDSACASA-N 1 3 244.319 1.763 20 0 BDADHO Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246445462 972313791 /nfs/dbraw/zinc/31/37/91/972313791.db2.gz OHLLIHQZAFXKRY-HUUCEWRRSA-N 1 3 242.366 1.804 20 0 BDADHO Cc1cccc2c1CC[C@H]([NH2+][C@@H]1CC13CNC3)C2 ZINC001246443094 972315170 /nfs/dbraw/zinc/31/51/70/972315170.db2.gz FTAWLQSUEJKCQT-DZGCQCFKSA-N 1 3 242.366 1.804 20 0 BDADHO C[C@@H]1CC[C@@H](NCCCn2ccnc2)C[NH2+]1 ZINC000398958841 958458230 /nfs/dbraw/zinc/45/82/30/958458230.db2.gz KNUCZKHGMUJXIK-VXGBXAGGSA-N 1 3 222.336 1.003 20 0 BDADHO CC1CCN(CCN[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004417 958482034 /nfs/dbraw/zinc/48/20/34/958482034.db2.gz WCPNRRKYOVUOTC-ZIAGYGMSSA-N 1 3 239.407 1.448 20 0 BDADHO [NH3+]Cc1cccn1-c1c[nH]cc2ccnc1-2 ZINC001167593612 958994936 /nfs/dbraw/zinc/99/49/36/958994936.db2.gz VTMWXQRDBLBIOQ-UHFFFAOYSA-N 1 3 212.256 1.812 20 0 BDADHO [NH3+]Cc1cccn1-c1cncc2cc[nH]c21 ZINC001167593612 958994959 /nfs/dbraw/zinc/99/49/59/958994959.db2.gz VTMWXQRDBLBIOQ-UHFFFAOYSA-N 1 3 212.256 1.812 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)[C@@H]1C ZINC000405693563 959485990 /nfs/dbraw/zinc/48/59/90/959485990.db2.gz WZSOTOSJLIHNBO-XHJNMGKDSA-N 1 3 238.375 1.626 20 0 BDADHO C[C@@H]1OC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1C ZINC000405693563 959485997 /nfs/dbraw/zinc/48/59/97/959485997.db2.gz WZSOTOSJLIHNBO-XHJNMGKDSA-N 1 3 238.375 1.626 20 0 BDADHO CCSC[C@@H](C)[N@@H+]1CC[C@](C)(N)C1 ZINC001246530879 972437224 /nfs/dbraw/zinc/43/72/24/972437224.db2.gz OOWWVOZOEHXRQF-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO CCSC[C@@H](C)[N@H+]1CC[C@](C)(N)C1 ZINC001246530879 972437226 /nfs/dbraw/zinc/43/72/26/972437226.db2.gz OOWWVOZOEHXRQF-ZJUUUORDSA-N 1 3 202.367 1.551 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CCN1 ZINC000709329909 959601822 /nfs/dbraw/zinc/60/18/22/959601822.db2.gz JJHJJQYAOOMECO-PSASIEDQSA-N 1 3 218.291 1.762 20 0 BDADHO C[C@H]1CC[C@@H](Oc2cccc3c2CNC3)C[NH2+]1 ZINC001218402820 960064299 /nfs/dbraw/zinc/06/42/99/960064299.db2.gz WJYAWNIBEDHEHH-CMPLNLGQSA-N 1 3 232.327 1.809 20 0 BDADHO CCCCCC[NH+]1CCC(NCCO)CC1 ZINC000686197744 960196092 /nfs/dbraw/zinc/19/60/92/960196092.db2.gz ZDFODONEGBIWGP-UHFFFAOYSA-N 1 3 228.380 1.613 20 0 BDADHO C[C@@H]1CCCCN1CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925549984 960326037 /nfs/dbraw/zinc/32/60/37/960326037.db2.gz JYNBHWZWBURKAV-RDBSUJKOSA-N 1 3 239.407 1.591 20 0 BDADHO COCC1(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925603501 960437330 /nfs/dbraw/zinc/43/73/30/960437330.db2.gz NQWPUYHMGKSGHV-QWRGUYRKSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@H](CC[NH+](C)C)NC[C@H]1COC(C)(C)O1 ZINC000695837495 960498318 /nfs/dbraw/zinc/49/83/18/960498318.db2.gz YCGGAXRBIBHUFB-MNOVXSKESA-N 1 3 230.352 1.068 20 0 BDADHO C[C@H]1C[C@H](NCC2SCCS2)CC[N@@H+]1C ZINC000692903991 961210787 /nfs/dbraw/zinc/21/07/87/961210787.db2.gz HKTWVIVLDSJLIG-VHSXEESVSA-N 1 3 246.445 1.865 20 0 BDADHO C[C@H]1C[C@H](NCC2SCCS2)CC[N@H+]1C ZINC000692903991 961210805 /nfs/dbraw/zinc/21/08/05/961210805.db2.gz HKTWVIVLDSJLIG-VHSXEESVSA-N 1 3 246.445 1.865 20 0 BDADHO N[C@@H]1CCC[N@@H+]([C@H]2CCCSC2)CC1 ZINC000725661331 961385256 /nfs/dbraw/zinc/38/52/56/961385256.db2.gz MJYXLKQMIYFGTB-MNOVXSKESA-N 1 3 214.378 1.695 20 0 BDADHO N[C@@H]1CCC[N@H+]([C@H]2CCCSC2)CC1 ZINC000725661331 961385279 /nfs/dbraw/zinc/38/52/79/961385279.db2.gz MJYXLKQMIYFGTB-MNOVXSKESA-N 1 3 214.378 1.695 20 0 BDADHO CCc1cc(NC(=N)SCC[NH3+])ccn1 ZINC001167915026 961839714 /nfs/dbraw/zinc/83/97/14/961839714.db2.gz DKKNSBGXYOTEBP-UHFFFAOYSA-N 1 3 224.333 1.104 20 0 BDADHO CCCC[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001268661949 962258699 /nfs/dbraw/zinc/25/86/99/962258699.db2.gz QEIQAEOBUTUDLV-NEPJUHHUSA-N 1 3 243.395 1.221 20 0 BDADHO COCCN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000688048908 962842386 /nfs/dbraw/zinc/84/23/86/962842386.db2.gz NMTBLCIVVGMYGP-UHFFFAOYSA-N 1 3 240.372 1.472 20 0 BDADHO [NH3+]Cc1cn(-c2cc3[nH]ccc3cn2)cn1 ZINC001154905476 962890697 /nfs/dbraw/zinc/89/06/97/962890697.db2.gz IZVDEXWGNOZHON-UHFFFAOYSA-N 1 3 213.244 1.207 20 0 BDADHO CN(C)c1cc[nH+]c(N[C@H]2CN3CCC2CC3)c1 ZINC001155668391 963153962 /nfs/dbraw/zinc/15/39/62/963153962.db2.gz VSUPOWVRWYLUGR-ZDUSSCGKSA-N 1 3 246.358 1.654 20 0 BDADHO Cc1nc(NC2(C)CC[NH2+]CC2)cc(N(C)C)n1 ZINC001157397972 963598840 /nfs/dbraw/zinc/59/88/40/963598840.db2.gz ZZYYJEFYJAENBK-UHFFFAOYSA-N 1 3 249.362 1.405 20 0 BDADHO C[C@@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CCO1 ZINC001168135920 963831671 /nfs/dbraw/zinc/83/16/71/963831671.db2.gz HYKLVLUXKRKXJD-CHWSQXEVSA-N 1 3 238.375 1.582 20 0 BDADHO CN(C)c1cccc(N2CCC[C@](C)(C[NH3+])C2)n1 ZINC001158675325 963900179 /nfs/dbraw/zinc/90/01/79/963900179.db2.gz LJVBMYCIMVSYRX-CQSZACIVSA-N 1 3 248.374 1.713 20 0 BDADHO C[NH+](C)CCC(C)(C)Nc1cccc(N)n1 ZINC001158756861 963917402 /nfs/dbraw/zinc/91/74/02/963917402.db2.gz FLFNQVGNLXCZRV-UHFFFAOYSA-N 1 3 222.336 1.806 20 0 BDADHO CC[C@@H]1CN(CCc2cccnc2)CC[C@@H]1[NH3+] ZINC000147518177 964014641 /nfs/dbraw/zinc/01/46/41/964014641.db2.gz HVBFUIDPJCYZCG-KGLIPLIRSA-N 1 3 233.359 1.683 20 0 BDADHO c1c(NC2=CNCCC2)onc1[C@H]1CCC[NH2+]1 ZINC001159308727 964055807 /nfs/dbraw/zinc/05/58/07/964055807.db2.gz MGDZEVRHCYXLIR-SNVBAGLBSA-N 1 3 234.303 1.736 20 0 BDADHO CCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160434604 964304245 /nfs/dbraw/zinc/30/42/45/964304245.db2.gz SPUXMRDERBACBG-LBPRGKRZSA-N 1 3 243.395 1.079 20 0 BDADHO C[C@@H](N)c1nccn1C1CCC([NH+](C)C)CC1 ZINC001168290369 964384378 /nfs/dbraw/zinc/38/43/78/964384378.db2.gz IIUKRIYRKRMSJK-VOMCLLRMSA-N 1 3 236.363 1.948 20 0 BDADHO C[C@H](N)c1ccn(C2CC[NH+](CC3CC3)CC2)n1 ZINC001168360645 964574746 /nfs/dbraw/zinc/57/47/46/964574746.db2.gz UVQJHVNRTAGXPP-NSHDSACASA-N 1 3 248.374 1.950 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+]CC[C@H](C)N(C)C)CCO1 ZINC000697911258 964677451 /nfs/dbraw/zinc/67/74/51/964677451.db2.gz YQEDWPQXWZFPOU-YNEHKIRRSA-N 1 3 228.380 1.874 20 0 BDADHO NCc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC001162400289 964960177 /nfs/dbraw/zinc/96/01/77/964960177.db2.gz GUCRULBWQKKLEV-ZJUUUORDSA-N 1 3 220.320 1.222 20 0 BDADHO CC(C)(C)C(=[NH2+])Nc1cnc(CN)nc1 ZINC001162664817 965097865 /nfs/dbraw/zinc/09/78/65/965097865.db2.gz QCYNGUWHVDXCLX-UHFFFAOYSA-N 1 3 207.281 1.371 20 0 BDADHO CC(C)(C)[C@H](O)CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000714960810 965569664 /nfs/dbraw/zinc/56/96/64/965569664.db2.gz JUZKDJJJDYCNEI-RWMBFGLXSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H]1CC[C@H](C[NH3+])N(c2cc(N)ccn2)C1 ZINC001164063300 965725308 /nfs/dbraw/zinc/72/53/08/965725308.db2.gz RJXPLFMVDJJYSF-MWLCHTKSSA-N 1 3 220.320 1.227 20 0 BDADHO CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715176508 965769939 /nfs/dbraw/zinc/76/99/39/965769939.db2.gz DZMJOJRMFKERAZ-XQQFMLRXSA-N 1 3 228.380 1.610 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2c[nH]c3cnccc23)CC1 ZINC001205109062 965824439 /nfs/dbraw/zinc/82/44/39/965824439.db2.gz ACWMFSHPEJIQNT-GFCCVEGCSA-N 1 3 244.342 1.876 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2cccc3cncn32)CC1 ZINC001205124011 965888425 /nfs/dbraw/zinc/88/84/25/965888425.db2.gz IMPCGQUXNRRXJH-LBPRGKRZSA-N 1 3 244.342 1.648 20 0 BDADHO CN(C)c1cc[nH+]c(N2CC(C)(N(C)C)C2)c1 ZINC001165117984 965965044 /nfs/dbraw/zinc/96/50/44/965965044.db2.gz MBEMFZSQKTWYAY-UHFFFAOYSA-N 1 3 234.347 1.288 20 0 BDADHO Cn1cncc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165272408 966016915 /nfs/dbraw/zinc/01/69/15/966016915.db2.gz HVHRDPIWNQLQPW-LLVKDONJSA-N 1 3 222.336 1.564 20 0 BDADHO Cn1cncc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165272408 966016922 /nfs/dbraw/zinc/01/69/22/966016922.db2.gz HVHRDPIWNQLQPW-LLVKDONJSA-N 1 3 222.336 1.564 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000699773185 966081452 /nfs/dbraw/zinc/08/14/52/966081452.db2.gz GBCAESTZWRYOFE-QQUHWDOBSA-N 1 3 232.327 1.756 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000699826999 966122774 /nfs/dbraw/zinc/12/27/74/966122774.db2.gz AHCMTRNEZKTBEE-LBPRGKRZSA-N 1 3 236.363 1.251 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000699826999 966122785 /nfs/dbraw/zinc/12/27/85/966122785.db2.gz AHCMTRNEZKTBEE-LBPRGKRZSA-N 1 3 236.363 1.251 20 0 BDADHO C[C@@H]1[C@H](N)CC[N@@H+]1CCCc1ccncc1 ZINC001205171754 966205868 /nfs/dbraw/zinc/20/58/68/966205868.db2.gz XCMVJIREKAXVFK-DGCLKSJQSA-N 1 3 219.332 1.436 20 0 BDADHO C[C@@H]1[C@H](N)CC[N@H+]1CCCc1ccncc1 ZINC001205171754 966205878 /nfs/dbraw/zinc/20/58/78/966205878.db2.gz XCMVJIREKAXVFK-DGCLKSJQSA-N 1 3 219.332 1.436 20 0 BDADHO CN(C)c1cccc(N(C)C[C@@H]2CC[NH2+]C2)n1 ZINC001166955267 966480297 /nfs/dbraw/zinc/48/02/97/966480297.db2.gz UJUUDAYMAQZQTM-LLVKDONJSA-N 1 3 234.347 1.193 20 0 BDADHO C[C@@H](Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CNCCO1 ZINC000169193333 967217707 /nfs/dbraw/zinc/21/77/07/967217707.db2.gz HBWSLHAERGLKOX-YGRLFVJLSA-N 1 3 247.342 1.079 20 0 BDADHO [NH3+]CC1CCN(Cc2cc(O)cc(O)c2)CC1 ZINC001205033855 967296579 /nfs/dbraw/zinc/29/65/79/967296579.db2.gz XAJGVSLYIHUVNI-UHFFFAOYSA-N 1 3 236.315 1.269 20 0 BDADHO CCC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CCC ZINC001485947038 967314968 /nfs/dbraw/zinc/31/49/68/967314968.db2.gz GHDVSAKTGUWMIY-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1cccc2[nH]cnc21 ZINC001205074990 967325828 /nfs/dbraw/zinc/32/58/28/967325828.db2.gz DJWCZJCLCANFGG-JQWIXIFHSA-N 1 3 244.342 1.875 20 0 BDADHO C[C@H]1CC[C@@H](CN)[N@H+]1Cc1cccc2[nH]cnc21 ZINC001205074990 967325832 /nfs/dbraw/zinc/32/58/32/967325832.db2.gz DJWCZJCLCANFGG-JQWIXIFHSA-N 1 3 244.342 1.875 20 0 BDADHO C[C@H]1CN(Cc2cccc3nonc32)C[C@H]1C[NH3+] ZINC001205131169 967378292 /nfs/dbraw/zinc/37/82/92/967378292.db2.gz SDJZCQJBNZWUAX-GXSJLCMTSA-N 1 3 246.314 1.249 20 0 BDADHO C[C@H]1C[N@H+](C[C@H]2CC=CCC2)C[C@H]1CN ZINC001205130554 967379088 /nfs/dbraw/zinc/37/90/88/967379088.db2.gz IKGHRVKZSBBVEQ-RWMBFGLXSA-N 1 3 208.349 1.869 20 0 BDADHO C[C@H]1C[N@@H+](C[C@H]2CC=CCC2)C[C@H]1CN ZINC001205130554 967379098 /nfs/dbraw/zinc/37/90/98/967379098.db2.gz IKGHRVKZSBBVEQ-RWMBFGLXSA-N 1 3 208.349 1.869 20 0 BDADHO CN1CCN(CCCc2ccc(C[NH3+])cc2)CC1 ZINC001250228531 967544693 /nfs/dbraw/zinc/54/46/93/967544693.db2.gz CFPBRCOSAVMCOO-UHFFFAOYSA-N 1 3 247.386 1.325 20 0 BDADHO CCc1[nH]ncc1CN1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205855617 967857405 /nfs/dbraw/zinc/85/74/05/967857405.db2.gz OJBXYPQMRNNKKP-ZYHUDNBSSA-N 1 3 236.363 1.531 20 0 BDADHO C[C@H]1CN(Cc2ccn(C)n2)CCC[C@H]1C[NH3+] ZINC001205996161 967947588 /nfs/dbraw/zinc/94/75/88/967947588.db2.gz VOHAPINWGRKFRN-RYUDHWBXSA-N 1 3 236.363 1.227 20 0 BDADHO Cc1c[nH]c(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)n1 ZINC001206004182 967960825 /nfs/dbraw/zinc/96/08/25/967960825.db2.gz RALPPUSIXISPAO-CMPLNLGQSA-N 1 3 236.363 1.525 20 0 BDADHO C(C[NH+]1CCCC1)O[C@@H]1CN2CCC1CC2 ZINC001206310059 968217320 /nfs/dbraw/zinc/21/73/20/968217320.db2.gz ZVSJQQZEQQJNFY-CYBMUJFWSA-N 1 3 224.348 1.193 20 0 BDADHO CCCC[N@H+](C)CCCNC[C@H](O)CC ZINC001251799877 968338074 /nfs/dbraw/zinc/33/80/74/968338074.db2.gz YXWSQNVXKUSWIN-GFCCVEGCSA-N 1 3 216.369 1.469 20 0 BDADHO CCCC[N@@H+](C)CCCNC[C@H](O)CC ZINC001251799877 968338083 /nfs/dbraw/zinc/33/80/83/968338083.db2.gz YXWSQNVXKUSWIN-GFCCVEGCSA-N 1 3 216.369 1.469 20 0 BDADHO CCCCN(C)CCC[NH2+]C[C@H](O)CC ZINC001251799877 968338095 /nfs/dbraw/zinc/33/80/95/968338095.db2.gz YXWSQNVXKUSWIN-GFCCVEGCSA-N 1 3 216.369 1.469 20 0 BDADHO Cc1cc(C)c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(C)c1 ZINC001206512648 968346265 /nfs/dbraw/zinc/34/62/65/968346265.db2.gz SJHHEYAYJYAXBF-ZFWWWQNUSA-N 1 3 248.370 1.363 20 0 BDADHO [NH3+]C[C@H]1CN(Cc2cccc3ccoc32)C[C@@H]1O ZINC001206535612 968364141 /nfs/dbraw/zinc/36/41/41/968364141.db2.gz NQTSVRQTYGWTRU-STQMWFEESA-N 1 3 246.310 1.184 20 0 BDADHO CCCC[C@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001252093480 968573866 /nfs/dbraw/zinc/57/38/66/968573866.db2.gz HSIYCSVPAIIDPR-XQQFMLRXSA-N 1 3 226.364 1.031 20 0 BDADHO CCCC[C@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001252093480 968573878 /nfs/dbraw/zinc/57/38/78/968573878.db2.gz HSIYCSVPAIIDPR-XQQFMLRXSA-N 1 3 226.364 1.031 20 0 BDADHO CC(C)N1CCN(CC(C)(C)C[NH+](C)C)CC1 ZINC001207274736 968708190 /nfs/dbraw/zinc/70/81/90/968708190.db2.gz FWOUGDSBKUFMKV-UHFFFAOYSA-N 1 3 241.423 1.600 20 0 BDADHO C[NH+](C)CC(C)(C)CN1CCC[C@H]1CO ZINC001207278893 968709880 /nfs/dbraw/zinc/70/98/80/968709880.db2.gz GFOBXYWVQGBHMV-NSHDSACASA-N 1 3 214.353 1.031 20 0 BDADHO CN1C[C@@H]2CC[C@H]([NH2+][C@H]3CCSC3)[C@H]2C1 ZINC001207838133 968897491 /nfs/dbraw/zinc/89/74/91/968897491.db2.gz WGTUKRFCNHMBNZ-BJDJZHNGSA-N 1 3 226.389 1.422 20 0 BDADHO CC(=O)[C@@H]1CC[N@@H+](CC2(C)CCN(C)CC2)C1 ZINC001208112253 969007121 /nfs/dbraw/zinc/00/71/21/969007121.db2.gz UKJPFUZVWSAJOD-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO CC(=O)[C@@H]1CC[N@H+](CC2(C)CCN(C)CC2)C1 ZINC001208112253 969007130 /nfs/dbraw/zinc/00/71/30/969007130.db2.gz UKJPFUZVWSAJOD-CYBMUJFWSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CN(CC2(C)CC[NH+](C)CC2)[C@@H](C)CO1 ZINC001208110825 969010486 /nfs/dbraw/zinc/01/04/86/969010486.db2.gz HALLVBAMHAOGEN-QWHCGFSZSA-N 1 3 240.391 1.828 20 0 BDADHO Cc1cnccc1O[C@H]1CC[N@@H+](CCN(C)C)C1 ZINC001208132841 969028951 /nfs/dbraw/zinc/02/89/51/969028951.db2.gz WEMGNZRBUGEACG-ZDUSSCGKSA-N 1 3 249.358 1.405 20 0 BDADHO Cc1cnccc1O[C@H]1CC[N@H+](CCN(C)C)C1 ZINC001208132841 969028958 /nfs/dbraw/zinc/02/89/58/969028958.db2.gz WEMGNZRBUGEACG-ZDUSSCGKSA-N 1 3 249.358 1.405 20 0 BDADHO CC(C)[C@@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253384472 969148349 /nfs/dbraw/zinc/14/83/49/969148349.db2.gz VCDBRNLJFLTTHD-MNOVXSKESA-N 1 3 216.369 1.370 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@@H]1CC[C@@H](F)C1 ZINC001253405589 969159629 /nfs/dbraw/zinc/15/96/29/969159629.db2.gz HXTUCPREPQNIQE-MXWKQRLJSA-N 1 3 232.343 1.216 20 0 BDADHO CCC[C@H](C)[NH2+]C[C@H](O)CNC(C)(C)C ZINC001253406397 969162098 /nfs/dbraw/zinc/16/20/98/969162098.db2.gz JMNQDNMBTKWVLY-QWRGUYRKSA-N 1 3 216.369 1.514 20 0 BDADHO CCC[C@H](C)NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253406397 969162103 /nfs/dbraw/zinc/16/21/03/969162103.db2.gz JMNQDNMBTKWVLY-QWRGUYRKSA-N 1 3 216.369 1.514 20 0 BDADHO CN(CCC[NH+](C)C)CC1COC(C)(C)OC1 ZINC001209191075 969382968 /nfs/dbraw/zinc/38/29/68/969382968.db2.gz FQZZIKIHUALLNP-UHFFFAOYSA-N 1 3 244.379 1.269 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nccc1CN)C2 ZINC001169077865 969398024 /nfs/dbraw/zinc/39/80/24/969398024.db2.gz AVFRMBNICLJBQO-IAZYJMLFSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1nccc1CN)C2 ZINC001169077865 969398031 /nfs/dbraw/zinc/39/80/31/969398031.db2.gz AVFRMBNICLJBQO-IAZYJMLFSA-N 1 3 220.320 1.140 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1F)C2 ZINC001169101505 969399189 /nfs/dbraw/zinc/39/91/89/969399189.db2.gz SYWYNAHVZIPPQV-FPYNETTCSA-N 1 3 242.338 1.328 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(CN)n1)C2 ZINC001169092087 969410717 /nfs/dbraw/zinc/41/07/17/969410717.db2.gz XCSIALHXOFQGCM-ZSBIGDGJSA-N 1 3 220.320 1.140 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1ccc(CN)n1)C2 ZINC001169092087 969410721 /nfs/dbraw/zinc/41/07/21/969410721.db2.gz XCSIALHXOFQGCM-ZSBIGDGJSA-N 1 3 220.320 1.140 20 0 BDADHO C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCO1 ZINC001169125379 969429144 /nfs/dbraw/zinc/42/91/44/969429144.db2.gz HMHNDUAAMNJCKF-FQUUOJAGSA-N 1 3 238.375 1.722 20 0 BDADHO C[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCO1 ZINC001169125379 969429147 /nfs/dbraw/zinc/42/91/47/969429147.db2.gz HMHNDUAAMNJCKF-FQUUOJAGSA-N 1 3 238.375 1.722 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc3c1CNCC3)C2 ZINC001169126512 969429931 /nfs/dbraw/zinc/42/99/31/969429931.db2.gz VOXYWARMTFOMKH-GDNZZTSVSA-N 1 3 246.358 1.327 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc3c1CNCC3)C2 ZINC001169126512 969429936 /nfs/dbraw/zinc/42/99/36/969429936.db2.gz VOXYWARMTFOMKH-GDNZZTSVSA-N 1 3 246.358 1.327 20 0 BDADHO CCc1cc(-n2ccc([C@H](C)[NH3+])n2)ccn1 ZINC001169234335 969513064 /nfs/dbraw/zinc/51/30/64/969513064.db2.gz HBIFZUKLDLDNDM-VIFPVBQESA-N 1 3 216.288 1.849 20 0 BDADHO CC[NH+]1CCC(N2CCC[C@@]3(CCO3)C2)CC1 ZINC001169264546 969518012 /nfs/dbraw/zinc/51/80/12/969518012.db2.gz HPIQVMCFRUHXKJ-CQSZACIVSA-N 1 3 238.375 1.726 20 0 BDADHO [NH3+]CCN1CCN(C2CCC(F)(F)CC2)CC1 ZINC001254208516 969535958 /nfs/dbraw/zinc/53/59/58/969535958.db2.gz QABCRIIJMSRPRI-UHFFFAOYSA-N 1 3 247.333 1.141 20 0 BDADHO Cc1cc(CN)nn1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254835353 969799368 /nfs/dbraw/zinc/79/93/68/969799368.db2.gz GICLJARHJINAGI-ZDUSSCGKSA-N 1 3 234.347 1.307 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254937189 969827649 /nfs/dbraw/zinc/82/76/49/969827649.db2.gz ZNZJKGBEMFYDMU-WYUUTHIRSA-N 1 3 236.359 1.604 20 0 BDADHO CO[C@H](C)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000167053962 969975452 /nfs/dbraw/zinc/97/54/52/969975452.db2.gz FTHPECVVFVDSKA-NEPJUHHUSA-N 1 3 214.353 1.341 20 0 BDADHO CO[C@H](C)CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000167053962 969975460 /nfs/dbraw/zinc/97/54/60/969975460.db2.gz FTHPECVVFVDSKA-NEPJUHHUSA-N 1 3 214.353 1.341 20 0 BDADHO CCN(CCC[NH+](C)C)[C@H]1CCSC1 ZINC001255295185 970061111 /nfs/dbraw/zinc/06/11/11/970061111.db2.gz VQGZAEWFBOTICZ-NSHDSACASA-N 1 3 216.394 1.766 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@H](NC(C)(C)C[NH3+])C1 ZINC001255337111 970120199 /nfs/dbraw/zinc/12/01/99/970120199.db2.gz AEWPWFUJNRHGOT-MNOVXSKESA-N 1 3 242.363 1.435 20 0 BDADHO C[C@H](N)c1ccn([C@H]2CCC[N@H+](C)C2)n1 ZINC001255471834 970195308 /nfs/dbraw/zinc/19/53/08/970195308.db2.gz HUYBLKQSSORFEY-UWVGGRQHSA-N 1 3 208.309 1.170 20 0 BDADHO C[C@H](N)c1ccn([C@H]2CCC[N@@H+](C)C2)n1 ZINC001255471834 970195311 /nfs/dbraw/zinc/19/53/11/970195311.db2.gz HUYBLKQSSORFEY-UWVGGRQHSA-N 1 3 208.309 1.170 20 0 BDADHO CN(C)CCC(C)(C)[NH2+][C@@H]1CCCN(C)C1 ZINC001255472043 970200289 /nfs/dbraw/zinc/20/02/89/970200289.db2.gz MFTDMLFFTWETSX-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CC(C)[N@H+]([C@H]1CCCN(C)C1)C(C)(C)CN ZINC001255479482 970209413 /nfs/dbraw/zinc/20/94/13/970209413.db2.gz IWNYAPWUKICSFV-LBPRGKRZSA-N 1 3 227.396 1.528 20 0 BDADHO CC(C)[N@@H+]([C@H]1CCCN(C)C1)C(C)(C)CN ZINC001255479482 970209417 /nfs/dbraw/zinc/20/94/17/970209417.db2.gz IWNYAPWUKICSFV-LBPRGKRZSA-N 1 3 227.396 1.528 20 0 BDADHO CCN1CCC[N@@H+]([C@@H]2CCCN(C)C2)CC1 ZINC001255480964 970216241 /nfs/dbraw/zinc/21/62/41/970216241.db2.gz NAEKXVXTWYHIKX-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO CCN1CCC[N@H+]([C@@H]2CCCN(C)C2)CC1 ZINC001255480964 970216248 /nfs/dbraw/zinc/21/62/48/970216248.db2.gz NAEKXVXTWYHIKX-CYBMUJFWSA-N 1 3 225.380 1.108 20 0 BDADHO C1=C(c2cncc(CN3CCCC3)c2)C[NH2+]C1 ZINC001243111890 970358664 /nfs/dbraw/zinc/35/86/64/970358664.db2.gz VDGPWCOZBWEBQH-UHFFFAOYSA-N 1 3 229.327 1.664 20 0 BDADHO CC[NH+](CC)CC[C@H](C)NCCC(=O)N(C)C ZINC001255940390 970570454 /nfs/dbraw/zinc/57/04/54/970570454.db2.gz BEUKATKAXBNECO-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H](CO)C(C)C ZINC001255941652 970571541 /nfs/dbraw/zinc/57/15/41/970571541.db2.gz WCKKKGWNIHGOLP-QWHCGFSZSA-N 1 3 230.396 1.713 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCC[C@H]1CO ZINC001255951373 970586534 /nfs/dbraw/zinc/58/65/34/970586534.db2.gz JNMCPZALVMHOHB-RDBSUJKOSA-N 1 3 242.407 1.857 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@H]1CO[C@H](C)C1 ZINC000401903148 970744569 /nfs/dbraw/zinc/74/45/69/970744569.db2.gz GGAYTNXSAWBLQV-GMTAPVOTSA-N 1 3 200.326 1.094 20 0 BDADHO CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246547434 972672396 /nfs/dbraw/zinc/67/23/96/972672396.db2.gz PQABBCIVICXZBW-NEPJUHHUSA-N 1 3 226.364 1.757 20 0 BDADHO CC1(C)C[C@@H]([N@H+]2CCC[C@@H](N)CC2)CCO1 ZINC001246547434 972672402 /nfs/dbraw/zinc/67/24/02/972672402.db2.gz PQABBCIVICXZBW-NEPJUHHUSA-N 1 3 226.364 1.757 20 0 BDADHO CN(C)Cc1ccc(NCC(C)(C)[NH3+])nc1 ZINC001171190796 972838303 /nfs/dbraw/zinc/83/83/03/972838303.db2.gz BLRCVRKQIHKLAE-UHFFFAOYSA-N 1 3 222.336 1.292 20 0 BDADHO CCCCCC[C@@H](CC)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246579729 972915937 /nfs/dbraw/zinc/91/59/37/972915937.db2.gz GTCPLXZXBROAEL-MJBXVCDLSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCCC[C@@H](CC)[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246579729 972915949 /nfs/dbraw/zinc/91/59/49/972915949.db2.gz GTCPLXZXBROAEL-MJBXVCDLSA-N 1 3 242.407 1.987 20 0 BDADHO CC[C@@H](C)C[C@@H](CC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579875 972917137 /nfs/dbraw/zinc/91/71/37/972917137.db2.gz HMMUSGYRGBYLFM-YVECIDJPSA-N 1 3 228.380 1.453 20 0 BDADHO CC[C@@H](C)C[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246579875 972917143 /nfs/dbraw/zinc/91/71/43/972917143.db2.gz HMMUSGYRGBYLFM-YVECIDJPSA-N 1 3 228.380 1.453 20 0 BDADHO CCCCCC[C@@H](C)[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001246582472 972945450 /nfs/dbraw/zinc/94/54/50/972945450.db2.gz ZJIWXNJURGZAOU-AGIUHOORSA-N 1 3 228.380 1.597 20 0 BDADHO CC(C)N1CCN([C@H]2CC[NH2+][C@H](C)C2)C[C@@H]1C ZINC001246977590 973715123 /nfs/dbraw/zinc/71/51/23/973715123.db2.gz DYMPVEDJQFRBAZ-RDBSUJKOSA-N 1 3 239.407 1.541 20 0 BDADHO CCCN(C)CC(=O)NCC[NH2+]CCC(C)C ZINC001148654987 973874485 /nfs/dbraw/zinc/87/44/85/973874485.db2.gz DKCFGSXPGYGDCX-UHFFFAOYSA-N 1 3 243.395 1.080 20 0 BDADHO CC[NH+](CC)CCO[C@@H]1CN2CCC1CC2 ZINC001224927257 974077657 /nfs/dbraw/zinc/07/76/57/974077657.db2.gz GOCQQGHJQOUGAM-CYBMUJFWSA-N 1 3 226.364 1.439 20 0 BDADHO CN(C)CCNC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171617483 974114558 /nfs/dbraw/zinc/11/45/58/974114558.db2.gz MAVHPXTWDFHEBC-UHFFFAOYSA-N 1 3 241.423 1.789 20 0 BDADHO Cc1ccc(CC[C@H](C)NC[C@H](O)C[NH3+])cc1 ZINC001171654969 974119248 /nfs/dbraw/zinc/11/92/48/974119248.db2.gz DBEQXIIUIUVXKH-GXTWGEPZSA-N 1 3 236.359 1.225 20 0 BDADHO C[C@H]1C[C@H](NOCC[NH3+])CN1Cc1ccccc1 ZINC001171726599 974139658 /nfs/dbraw/zinc/13/96/58/974139658.db2.gz YOELVLBONYBIDD-JSGCOSHPSA-N 1 3 249.358 1.129 20 0 BDADHO CN1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172126882 974349729 /nfs/dbraw/zinc/34/97/29/974349729.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 1 3 249.402 1.390 20 0 BDADHO CN1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172126882 974349734 /nfs/dbraw/zinc/34/97/34/974349734.db2.gz ZCYCRIOTUDWTNY-QRTUWBSPSA-N 1 3 249.402 1.390 20 0 BDADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)[nH]1 ZINC001206163883 974514598 /nfs/dbraw/zinc/51/45/98/974514598.db2.gz HBCHXEUUOMYQEE-VXGBXAGGSA-N 1 3 239.338 1.893 20 0 BDADHO Cc1cc(C)c(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)[nH]1 ZINC001206163883 974514605 /nfs/dbraw/zinc/51/46/05/974514605.db2.gz HBCHXEUUOMYQEE-VXGBXAGGSA-N 1 3 239.338 1.893 20 0 BDADHO CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H](C)CN ZINC001172327199 974540261 /nfs/dbraw/zinc/54/02/61/974540261.db2.gz DFUYXYNSQVSYRS-WOPDTQHZSA-N 1 3 216.369 1.765 20 0 BDADHO CCOCC[C@@H](C)[N@@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172422314 974697319 /nfs/dbraw/zinc/69/73/19/974697319.db2.gz ZDSZDSCNJKUCLO-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CCOCC[C@@H](C)[N@H+]1C[C@H]2CCN(C)C[C@H]2C1 ZINC001172422314 974697321 /nfs/dbraw/zinc/69/73/21/974697321.db2.gz ZDSZDSCNJKUCLO-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO C[NH2+][C@@H](C)CCNCC1(OC)CCCC1 ZINC001331847600 974837475 /nfs/dbraw/zinc/83/74/75/974837475.db2.gz OGXJHBKIMULNDP-NSHDSACASA-N 1 3 214.353 1.533 20 0 BDADHO Cc1cccnc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206165556 974875639 /nfs/dbraw/zinc/87/56/39/974875639.db2.gz OANWUIQGHXVKNB-RYUDHWBXSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cccnc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206165556 974875642 /nfs/dbraw/zinc/87/56/42/974875642.db2.gz OANWUIQGHXVKNB-RYUDHWBXSA-N 1 3 237.322 1.651 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)N(C)C[C@@H](C)C[NH3+] ZINC001172745813 974919609 /nfs/dbraw/zinc/91/96/09/974919609.db2.gz KSBBYMZLOJOLRG-NWDGAFQWSA-N 1 3 244.379 1.633 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@H+](C)C[C@@H](C)CN ZINC001172745813 974919615 /nfs/dbraw/zinc/91/96/15/974919615.db2.gz KSBBYMZLOJOLRG-NWDGAFQWSA-N 1 3 244.379 1.633 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN2C)CCO1 ZINC001173170095 975062411 /nfs/dbraw/zinc/06/24/11/975062411.db2.gz XSROZSUXWIDVPT-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H](N)C[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164011 975529527 /nfs/dbraw/zinc/52/95/27/975529527.db2.gz ZGZDMSOQPQRPBT-GHMZBOCLSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@@H](N)C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC001333164011 975529540 /nfs/dbraw/zinc/52/95/40/975529540.db2.gz ZGZDMSOQPQRPBT-GHMZBOCLSA-N 1 3 214.353 1.613 20 0 BDADHO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232012219 977839529 /nfs/dbraw/zinc/83/95/29/977839529.db2.gz WHZWCKJULLIFPQ-GWCFXTLKSA-N 1 3 245.326 1.766 20 0 BDADHO C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc3cnccc3[nH]2)C1 ZINC001232012219 977839532 /nfs/dbraw/zinc/83/95/32/977839532.db2.gz WHZWCKJULLIFPQ-GWCFXTLKSA-N 1 3 245.326 1.766 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C)C2)C1 ZINC000328202061 978208021 /nfs/dbraw/zinc/20/80/21/978208021.db2.gz SEEPTPOQGYXJDX-STQMWFEESA-N 1 3 225.380 1.012 20 0 BDADHO Cn1cncc1N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001277769412 978472797 /nfs/dbraw/zinc/47/27/97/978472797.db2.gz BQEXRTPUHGPLFO-UHFFFAOYSA-N 1 3 246.358 1.627 20 0 BDADHO Cn1cncc1N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001277769412 978472802 /nfs/dbraw/zinc/47/28/02/978472802.db2.gz BQEXRTPUHGPLFO-UHFFFAOYSA-N 1 3 246.358 1.627 20 0 BDADHO N[C@@]12C[C@@H]1CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001235156235 978982033 /nfs/dbraw/zinc/98/20/33/978982033.db2.gz NHQKHUSSZYMOCH-FRRDWIJNSA-N 1 3 206.333 1.766 20 0 BDADHO N[C@@]12C[C@@H]1CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001235156235 978982039 /nfs/dbraw/zinc/98/20/39/978982039.db2.gz NHQKHUSSZYMOCH-FRRDWIJNSA-N 1 3 206.333 1.766 20 0 BDADHO C[NH2+]CCCN1CCN[C@H](c2ccccc2)C1 ZINC001235860751 979172721 /nfs/dbraw/zinc/17/27/21/979172721.db2.gz WSCJERDKCNKTAS-AWEZNQCLSA-N 1 3 233.359 1.242 20 0 BDADHO Cc1ccccc1CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993616 979287972 /nfs/dbraw/zinc/28/79/72/979287972.db2.gz SICGSZDTOZNFRT-YIONKMFJSA-N 1 3 246.354 1.401 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996661 979291688 /nfs/dbraw/zinc/29/16/88/979291688.db2.gz YNJVMYRILMWBER-FZMZJTMJSA-N 1 3 242.326 1.486 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](Cc1cccc3n[nH]cc31)C2 ZINC001235996661 979291702 /nfs/dbraw/zinc/29/17/02/979291702.db2.gz YNJVMYRILMWBER-FZMZJTMJSA-N 1 3 242.326 1.486 20 0 BDADHO NC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2 ZINC001236251398 979473691 /nfs/dbraw/zinc/47/36/91/979473691.db2.gz SWCDOTYVIRHRRK-CQSZACIVSA-N 1 3 245.370 1.968 20 0 BDADHO NC[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCCN2 ZINC001236251398 979473692 /nfs/dbraw/zinc/47/36/92/979473692.db2.gz SWCDOTYVIRHRRK-CQSZACIVSA-N 1 3 245.370 1.968 20 0 BDADHO [O-]c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236321660 979532118 /nfs/dbraw/zinc/53/21/18/979532118.db2.gz KGMSGDIDMWQAHA-TXEJJXNPSA-N 1 3 247.342 1.219 20 0 BDADHO [O-]c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236321660 979532124 /nfs/dbraw/zinc/53/21/24/979532124.db2.gz KGMSGDIDMWQAHA-TXEJJXNPSA-N 1 3 247.342 1.219 20 0 BDADHO Cc1cnc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc1 ZINC001236320450 979533869 /nfs/dbraw/zinc/53/38/69/979533869.db2.gz HDDYSKJGSLSNHF-BETUJISGSA-N 1 3 246.358 1.216 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341893136 979586970 /nfs/dbraw/zinc/58/69/70/979586970.db2.gz JNZOGOBWUVLUES-WHOHXGKFSA-N 1 3 241.379 1.136 20 0 BDADHO CCOC(=O)CN(CCCC[NH3+])C1CCCC1 ZINC001236438553 979600828 /nfs/dbraw/zinc/60/08/28/979600828.db2.gz ZZAXPMIWJTWKSR-UHFFFAOYSA-N 1 3 242.363 1.533 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001342161759 979684091 /nfs/dbraw/zinc/68/40/91/979684091.db2.gz YRGQPECMSUKHGD-BJDJZHNGSA-N 1 3 241.379 1.088 20 0 BDADHO CC[C@H](N)C[N@H+](C)CCCC(C)(C)OC(C)=O ZINC001236860589 979764024 /nfs/dbraw/zinc/76/40/24/979764024.db2.gz RMNDHYDMGDVQCM-LBPRGKRZSA-N 1 3 244.379 1.777 20 0 BDADHO CC[C@H](N)C[N@@H+](C)CCCC(C)(C)OC(C)=O ZINC001236860589 979764034 /nfs/dbraw/zinc/76/40/34/979764034.db2.gz RMNDHYDMGDVQCM-LBPRGKRZSA-N 1 3 244.379 1.777 20 0 BDADHO C1=C2NCCN(CC[C@H]3CCCC[NH2+]3)[C@H]2CCC1 ZINC001237220502 979850640 /nfs/dbraw/zinc/85/06/40/979850640.db2.gz RQVJFZFKLINPCZ-HIFRSBDPSA-N 1 3 249.402 1.860 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056994 980327382 /nfs/dbraw/zinc/32/73/82/980327382.db2.gz BERAAWPZTFVZOX-UTUOFQBUSA-N 1 3 243.395 1.240 20 0 BDADHO c1nc(CNC2CCCC2)c2n1CCC[NH2+]C2 ZINC001239333749 980540681 /nfs/dbraw/zinc/54/06/81/980540681.db2.gz RBEOHJRWAVQGEC-UHFFFAOYSA-N 1 3 234.347 1.409 20 0 BDADHO C[C@]1(CO)CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001345159166 980569086 /nfs/dbraw/zinc/56/90/86/980569086.db2.gz CRRPWARGEOOJAP-KBPBESRZSA-N 1 3 240.391 1.471 20 0 BDADHO [NH3+]C[C@@]1(F)CCCN(Cc2cncs2)CC1 ZINC001205545999 980945140 /nfs/dbraw/zinc/94/51/40/980945140.db2.gz OGVCXOPBORPQQB-LLVKDONJSA-N 1 3 243.351 1.796 20 0 BDADHO C(c1cccnc1OC1CNC1)=C1CC[NH2+]CC1 ZINC001240877425 981929411 /nfs/dbraw/zinc/92/94/11/981929411.db2.gz JPIIEFOXZZZTLO-UHFFFAOYSA-N 1 3 245.326 1.199 20 0 BDADHO CN1CC=C(c2ccnc(C[NH3+])c2)CC1 ZINC001241328001 982487886 /nfs/dbraw/zinc/48/78/86/982487886.db2.gz VHXOUQKUGSTEPV-UHFFFAOYSA-N 1 3 203.289 1.259 20 0 BDADHO C[C@H]([NH3+])c1ccc(C2=CCCN(C)C2)cn1 ZINC001241572272 982826849 /nfs/dbraw/zinc/82/68/49/982826849.db2.gz RMCULDRRAYHQKX-JTQLQIEISA-N 1 3 217.316 1.820 20 0 BDADHO CCCCN1CCN(CC[NH+](CC)CC)CC1 ZINC001201700563 983411717 /nfs/dbraw/zinc/41/17/17/983411717.db2.gz QQSVWWCXWRNODT-UHFFFAOYSA-N 1 3 241.423 1.746 20 0 BDADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cc3cc[nH]n3)C[C@H]2C1 ZINC001355374928 983481861 /nfs/dbraw/zinc/48/18/61/983481861.db2.gz WCNKMRYJLALQRJ-OUCADQQQSA-N 1 3 248.374 1.572 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC001357475439 983728831 /nfs/dbraw/zinc/72/88/31/983728831.db2.gz XASRGYKTGZFBEM-WDEREUQCSA-N 1 3 243.395 1.384 20 0 BDADHO CCCN1C[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2C1 ZINC001202530997 983876747 /nfs/dbraw/zinc/87/67/47/983876747.db2.gz YGJHOUIBSANXSD-MGPQQGTHSA-N 1 3 238.375 1.297 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001253180990 984013028 /nfs/dbraw/zinc/01/30/28/984013028.db2.gz NHRODVXYKGCABD-OLZOCXBDSA-N 1 3 246.370 1.371 20 0 BDADHO CCN(CC)C[C@@H](O)C[N@H+]1CC[C@@](C)(CF)C1 ZINC001253180990 984013038 /nfs/dbraw/zinc/01/30/38/984013038.db2.gz NHRODVXYKGCABD-OLZOCXBDSA-N 1 3 246.370 1.371 20 0 BDADHO C([C@H]1CC[NH2+]C1)N1CCCC[C@]12CCOC2 ZINC001574799665 984118555 /nfs/dbraw/zinc/11/85/55/984118555.db2.gz FHXHCMHTUDSGER-QWHCGFSZSA-N 1 3 224.348 1.241 20 0 BDADHO C[C@H](CCc1ccccc1)NC[C@]1(O)CC[NH2+]C1 ZINC001575966480 984141746 /nfs/dbraw/zinc/14/17/46/984141746.db2.gz ORUCWAGHOBLKCF-HIFRSBDPSA-N 1 3 248.370 1.322 20 0 BDADHO CCCC[C@@H](COC)N[C@H]1C[C@H]([NH3+])C1 ZINC001577400924 984195725 /nfs/dbraw/zinc/19/57/25/984195725.db2.gz PJUPVGKDRPPULV-DCAQKATOSA-N 1 3 200.326 1.271 20 0 BDADHO CCOC(=O)CN(CCC1C[NH2+]C1)CC(C)C ZINC001577951062 984203864 /nfs/dbraw/zinc/20/38/64/984203864.db2.gz ADLKNVVPLHRIQQ-UHFFFAOYSA-N 1 3 242.363 1.117 20 0 BDADHO CO[C@@]1(C)CCC[N@H+](C[C@@H]2CCCNC2)CC1 ZINC001578924960 984235789 /nfs/dbraw/zinc/23/57/89/984235789.db2.gz WGJODFXKBNNELH-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@@]1(C)CCC[N@@H+](C[C@@H]2CCCNC2)CC1 ZINC001578924960 984235820 /nfs/dbraw/zinc/23/58/20/984235820.db2.gz WGJODFXKBNNELH-KGLIPLIRSA-N 1 3 240.391 1.877 20 0 BDADHO COCC[C@H]([NH3+])CN[C@H](C)[C@](C)(OC)C1CC1 ZINC001579001816 984245334 /nfs/dbraw/zinc/24/53/34/984245334.db2.gz LXXJJDAYVJPTCV-WXHSDQCUSA-N 1 3 244.379 1.143 20 0 BDADHO COCC[C@H]([NH3+])CNCC1(OC)CCCCC1 ZINC001579004380 984248742 /nfs/dbraw/zinc/24/87/42/984248742.db2.gz SYRHIFKTZNBCRF-LBPRGKRZSA-N 1 3 244.379 1.289 20 0 BDADHO COCC[C@H]([NH3+])CN[C@H]1C[C@](C)(OC)C1(C)C ZINC001579001571 984250739 /nfs/dbraw/zinc/25/07/39/984250739.db2.gz JIPLAFKQQHZILB-GVXVVHGQSA-N 1 3 244.379 1.143 20 0 BDADHO C[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275044912 984445516 /nfs/dbraw/zinc/44/55/16/984445516.db2.gz HMARQDLNUCTAQH-BETUJISGSA-N 1 3 234.347 1.183 20 0 BDADHO C[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275044912 984445525 /nfs/dbraw/zinc/44/55/25/984445525.db2.gz HMARQDLNUCTAQH-BETUJISGSA-N 1 3 234.347 1.183 20 0 BDADHO NCC1(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC001580243394 984470680 /nfs/dbraw/zinc/47/06/80/984470680.db2.gz FHDZRXUIGGBJMU-QWHCGFSZSA-N 1 3 238.375 1.112 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC001580423032 984531389 /nfs/dbraw/zinc/53/13/89/984531389.db2.gz MOKDWOPEJYVHBV-OBPIAQAESA-N 1 3 224.348 1.271 20 0 BDADHO C1=C(c2ccc(CN3CCC3)cc2)C[NH2+]C1 ZINC001243110113 984566160 /nfs/dbraw/zinc/56/61/60/984566160.db2.gz AQYUZNOKMGDQBF-UHFFFAOYSA-N 1 3 214.312 1.879 20 0 BDADHO CC[NH+](CC)[C@H](C)CNC[C@@H]1COC(C)(C)N1 ZINC001577697693 984637776 /nfs/dbraw/zinc/63/77/76/984637776.db2.gz QJVXLILVOZZVPG-VXGBXAGGSA-N 1 3 243.395 1.031 20 0 BDADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC001275871374 984716317 /nfs/dbraw/zinc/71/63/17/984716317.db2.gz XIXBXPWPSFKZQD-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO C[N@H+]1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC001275871374 984716330 /nfs/dbraw/zinc/71/63/30/984716330.db2.gz XIXBXPWPSFKZQD-UHFFFAOYSA-N 1 3 245.370 1.999 20 0 BDADHO CCN1CCC[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC001577770854 984776850 /nfs/dbraw/zinc/77/68/50/984776850.db2.gz ONSPCUQBLWZXQW-JHJVBQTASA-N 1 3 225.380 1.201 20 0 BDADHO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC1(CN)CCC1 ZINC001577908431 984816638 /nfs/dbraw/zinc/81/66/38/984816638.db2.gz IVEATRGMRUTVPU-MNOVXSKESA-N 1 3 242.363 1.293 20 0 BDADHO CCOC(=O)[C@@H](C)[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001577908375 984819868 /nfs/dbraw/zinc/81/98/68/984819868.db2.gz HIROBLYPYLJCFO-RHYQMDGZSA-N 1 3 242.363 1.019 20 0 BDADHO CCOC(=O)[C@H]1CCCN1C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578026104 984837143 /nfs/dbraw/zinc/83/71/43/984837143.db2.gz PTYKBYOKEQSSJU-QJPTWQEYSA-N 1 3 240.347 1.141 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C2)C12CCC2 ZINC001578093282 984845532 /nfs/dbraw/zinc/84/55/32/984845532.db2.gz GORUZEDORXTPCM-WRWGMCAJSA-N 1 3 224.348 1.413 20 0 BDADHO CCOCC(C)(C)C[NH2+]CC1(CN)CC1 ZINC001578100436 984852832 /nfs/dbraw/zinc/85/28/32/984852832.db2.gz UOQPISOGZHJASW-UHFFFAOYSA-N 1 3 214.353 1.378 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@H](C)[NH3+])[C@]12CCCO2 ZINC001578149165 984858317 /nfs/dbraw/zinc/85/83/17/984858317.db2.gz WYYQTPXVJKZFHY-UMSGYPCISA-N 1 3 242.363 1.040 20 0 BDADHO CCO[C@@]1(C)C[C@H]1NCC(C)(C)C[NH3+] ZINC001578161391 984864095 /nfs/dbraw/zinc/86/40/95/984864095.db2.gz PTZIWCHEAFZVLN-KOLCDFICSA-N 1 3 200.326 1.128 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001578160825 984865647 /nfs/dbraw/zinc/86/56/47/984865647.db2.gz FBTJODMNPGHGCV-QCNOEVLYSA-N 1 3 212.337 1.413 20 0 BDADHO CN(C[C@@H](O)C1CC1)C1(C[NH3+])CCCCC1 ZINC001578441713 985069766 /nfs/dbraw/zinc/06/97/66/985069766.db2.gz IBPRNGLJJZATNG-GFCCVEGCSA-N 1 3 226.364 1.351 20 0 BDADHO CN1CCC[C@H]1C[NH2+]C[C@@H](N)CCC(C)(C)C ZINC001578530216 985153740 /nfs/dbraw/zinc/15/37/40/985153740.db2.gz BYYRSXQVFYJPDR-STQMWFEESA-N 1 3 241.423 1.824 20 0 BDADHO O[C@@H](CN1CCC2(CC2)CC1)C[NH+]1CCCC1 ZINC000686607207 985155925 /nfs/dbraw/zinc/15/59/25/985155925.db2.gz QPPBAKCVTAOQAF-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001578790679 985359627 /nfs/dbraw/zinc/35/96/27/985359627.db2.gz VUCZEBMZFIUNKB-IYKVGLELSA-N 1 3 240.347 1.044 20 0 BDADHO CCCC[NH+]1CCC(N[C@@H]2COC[C@H]2C)CC1 ZINC000688026635 985501005 /nfs/dbraw/zinc/50/10/05/985501005.db2.gz WASNEEUGQPWJDM-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO COc1ccc(CCN[C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC001579209110 985821076 /nfs/dbraw/zinc/82/10/76/985821076.db2.gz IPYAOWTWPQIIBG-RYUDHWBXSA-N 1 3 249.358 1.348 20 0 BDADHO COC(=O)CC[C@@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001258347167 985823342 /nfs/dbraw/zinc/82/33/42/985823342.db2.gz HLJFMKDOERWAOC-OUAUKWLOSA-N 1 3 228.336 1.188 20 0 BDADHO C[C@@H]1CN(CCN(C)Cc2ccccc2)C[C@H]1[NH3+] ZINC001579440500 985927850 /nfs/dbraw/zinc/92/78/50/985927850.db2.gz FLHNGTQKHWPUCO-UKRRQHHQSA-N 1 3 247.386 1.397 20 0 BDADHO NC[C@H]1CCCC[N@H+](CCCC2OCCO2)C1 ZINC001206606768 985935475 /nfs/dbraw/zinc/93/54/75/985935475.db2.gz RSNYJXSESZIQTB-GFCCVEGCSA-N 1 3 242.363 1.200 20 0 BDADHO NC[C@H]1CCCC[N@@H+](CCCC2OCCO2)C1 ZINC001206606768 985935488 /nfs/dbraw/zinc/93/54/88/985935488.db2.gz RSNYJXSESZIQTB-GFCCVEGCSA-N 1 3 242.363 1.200 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)OCC[C@H]1C ZINC001579455757 985949334 /nfs/dbraw/zinc/94/93/34/985949334.db2.gz QOAYGNNZEGJKMO-LPWJVIDDSA-N 1 3 226.364 1.341 20 0 BDADHO Cc1cn[nH]c1CNC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001579547601 986080050 /nfs/dbraw/zinc/08/00/50/986080050.db2.gz PECHCNZKBGCDKL-CHWSQXEVSA-N 1 3 234.347 1.340 20 0 BDADHO Cc1cc(CNC2CC3(CC([NH3+])C3)C2)on1 ZINC001579601539 986128361 /nfs/dbraw/zinc/12/83/61/986128361.db2.gz UAWSWHHSSYGNKO-UHFFFAOYSA-N 1 3 221.304 1.343 20 0 BDADHO CCC[NH+]1CCC(N2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001258772553 986153183 /nfs/dbraw/zinc/15/31/83/986153183.db2.gz SPQACOFPGACSSK-TZMCWYRMSA-N 1 3 240.391 1.564 20 0 BDADHO Cc1ncc(C[NH2+][C@@](C)(CN)C(C)C)n1C ZINC001579878835 986296309 /nfs/dbraw/zinc/29/63/09/986296309.db2.gz YZOPTRXNOTZGMQ-LBPRGKRZSA-N 1 3 224.352 1.192 20 0 BDADHO CSC1(C[NH2+][C@@H]2CC[C@H]3CN(C)C[C@@H]32)CC1 ZINC001462663615 986494883 /nfs/dbraw/zinc/49/48/83/986494883.db2.gz FJLVMZACWACTNW-SDDRHHMPSA-N 1 3 240.416 1.812 20 0 BDADHO [NH3+][C@H](CN[C@@H]1C[C@@H]2CC[C@H]1O2)CC(F)(F)F ZINC001580131095 986600487 /nfs/dbraw/zinc/60/04/87/986600487.db2.gz ACUNRVVAYKTINZ-RBXMUDONSA-N 1 3 238.253 1.176 20 0 BDADHO [NH3+]C1CC(N[C@H](CO)CC2CCCC2)C1 ZINC001580162516 986636174 /nfs/dbraw/zinc/63/61/74/986636174.db2.gz BFUVFJPYYWPVEQ-MCIGGMRASA-N 1 3 212.337 1.007 20 0 BDADHO C[N@@H+]1CCC[C@H](N2CC(N3CCCC3)C2)CC1 ZINC001254522003 986670467 /nfs/dbraw/zinc/67/04/67/986670467.db2.gz AQRNUKZYKXKWNC-ZDUSSCGKSA-N 1 3 237.391 1.251 20 0 BDADHO C[N@H+]1CCC[C@H](N2CC(N3CCCC3)C2)CC1 ZINC001254522003 986670477 /nfs/dbraw/zinc/67/04/77/986670477.db2.gz AQRNUKZYKXKWNC-ZDUSSCGKSA-N 1 3 237.391 1.251 20 0 BDADHO C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)CC2)C[C@@H]1F ZINC001254515784 986671889 /nfs/dbraw/zinc/67/18/89/986671889.db2.gz CUVKYFYTKBAVIS-UTUOFQBUSA-N 1 3 214.328 1.761 20 0 BDADHO C[C@@H]1C[N@H+]([C@@H]2CCCN(C)CC2)C[C@@H]1F ZINC001254515784 986671896 /nfs/dbraw/zinc/67/18/96/986671896.db2.gz CUVKYFYTKBAVIS-UTUOFQBUSA-N 1 3 214.328 1.761 20 0 BDADHO [NH3+]C[C@@H](NCc1cc[nH]c(=O)c1)C1CCCC1 ZINC001580230070 986681285 /nfs/dbraw/zinc/68/12/85/986681285.db2.gz YOMTUXNTXUVKEB-GFCCVEGCSA-N 1 3 235.331 1.394 20 0 BDADHO [NH3+]C[C@@]12CC[C@H]1CCN2CC1=CCCC1 ZINC001580253039 986702229 /nfs/dbraw/zinc/70/22/29/986702229.db2.gz GCPOKINQCHOFLV-STQMWFEESA-N 1 3 206.333 1.910 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001580423030 986840910 /nfs/dbraw/zinc/84/09/10/986840910.db2.gz MOKDWOPEJYVHBV-JZRPKSSGSA-N 1 3 224.348 1.271 20 0 BDADHO [NH3+][C@H]1C[C@H](NCc2cccc3n[nH]cc32)C1 ZINC001580431324 986849732 /nfs/dbraw/zinc/84/97/32/986849732.db2.gz FNJZDCTWQNBAQN-MGCOHNPYSA-N 1 3 216.288 1.142 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]C1CC2(COC2)C1 ZINC001255945469 987077589 /nfs/dbraw/zinc/07/75/89/987077589.db2.gz LBIMLPJSZJZHJU-GFCCVEGCSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@](O)(CNC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001245983765 987266148 /nfs/dbraw/zinc/26/61/48/987266148.db2.gz URFGOWUSPVGIFF-ZFWWWQNUSA-N 1 3 248.370 1.483 20 0 BDADHO CCCC[C@H](O)CNC[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001245995088 987279770 /nfs/dbraw/zinc/27/97/70/987279770.db2.gz SOZSAEOJKVBVDF-XQQFMLRXSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H]([NH3+])CCNC[C@](C)(O)c1ccccc1 ZINC001245999812 987285545 /nfs/dbraw/zinc/28/55/45/987285545.db2.gz KEWUSSUSIRQJTD-AAEUAGOBSA-N 1 3 222.332 1.221 20 0 BDADHO CC[C@H](N)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001245999676 987285717 /nfs/dbraw/zinc/28/57/17/987285717.db2.gz BZEHMDDYAURORH-QWHCGFSZSA-N 1 3 222.332 1.221 20 0 BDADHO C[C@@](O)(CN1CCC[C@@H]([NH3+])CC1)c1ccccc1 ZINC001246015839 987294705 /nfs/dbraw/zinc/29/47/05/987294705.db2.gz HQAVRWIYQPOWHL-HUUCEWRRSA-N 1 3 248.370 1.707 20 0 BDADHO C[C@H](CCCO)[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000693708481 987312184 /nfs/dbraw/zinc/31/21/84/987312184.db2.gz SQVBIQNSRWYNDJ-FVCCEPFGSA-N 1 3 240.391 1.514 20 0 BDADHO C[C@@H]1CC[C@H](C[NH3+])N(C[C@H](O)C(C)(C)C)C1 ZINC001246023358 987314852 /nfs/dbraw/zinc/31/48/52/987314852.db2.gz POFYMBKXUNEIED-UTUOFQBUSA-N 1 3 228.380 1.453 20 0 BDADHO CCCC[C@H](O)C[N@@H+]1CCCC[C@](C)(CN)C1 ZINC001246025345 987317521 /nfs/dbraw/zinc/31/75/21/987317521.db2.gz WWWSCXFZBIBQBA-UONOGXRCSA-N 1 3 242.407 1.988 20 0 BDADHO CCCC[C@H](O)C[N@H+]1CCCC[C@](C)(CN)C1 ZINC001246025345 987317530 /nfs/dbraw/zinc/31/75/30/987317530.db2.gz WWWSCXFZBIBQBA-UONOGXRCSA-N 1 3 242.407 1.988 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CCCOCC1)N(C)C ZINC000697888949 987364785 /nfs/dbraw/zinc/36/47/85/987364785.db2.gz JWDHPVPZROAJSC-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C2CCNCC2)CCO1 ZINC001246080564 987376699 /nfs/dbraw/zinc/37/66/99/987376699.db2.gz RKCFQYWMGGUFPH-NWDGAFQWSA-N 1 3 212.337 1.286 20 0 BDADHO Cc1cc(C)n(CCN[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246086221 987385321 /nfs/dbraw/zinc/38/53/21/987385321.db2.gz SNIBYIPIIDBIJY-GWCFXTLKSA-N 1 3 236.363 1.230 20 0 BDADHO CCC[NH+]1CCC(N[C@@H]2CCNC[C@H]2F)CC1 ZINC001246087458 987386540 /nfs/dbraw/zinc/38/65/40/987386540.db2.gz OINRTHCZVJIKII-CHWSQXEVSA-N 1 3 243.370 1.150 20 0 BDADHO CCOCC[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001246098851 987412533 /nfs/dbraw/zinc/41/25/33/987412533.db2.gz PVEKIOMWNXCFIQ-HBNTYKKESA-N 1 3 218.316 1.091 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC2CCN(CC2)C1 ZINC001246101343 987424128 /nfs/dbraw/zinc/42/41/28/987424128.db2.gz KIORFHXEYRZCGP-KWCYVHTRSA-N 1 3 237.391 1.058 20 0 BDADHO CO[C@@H]1CCC[C@H](NC[C@@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246103226 987426564 /nfs/dbraw/zinc/42/65/64/987426564.db2.gz GSGOTMNTIBRBPA-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H](C)OCC[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001246103010 987426610 /nfs/dbraw/zinc/42/66/10/987426610.db2.gz XUKFDXXLACDIIX-ZDEQEGDKSA-N 1 3 246.370 1.870 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C[C@@H]1C ZINC001246132025 987483739 /nfs/dbraw/zinc/48/37/39/987483739.db2.gz CGOPSMMAUQDLIE-KLVXDSBYSA-N 1 3 238.375 1.388 20 0 BDADHO CC[C@@H](C)C[C@H](CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134597 987487916 /nfs/dbraw/zinc/48/79/16/987487916.db2.gz NUDOHTPFSHYQBS-XVIXHAIJSA-N 1 3 240.391 1.778 20 0 BDADHO CC1(C)CCC[C@H](N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)C1 ZINC001246133016 987488083 /nfs/dbraw/zinc/48/80/83/987488083.db2.gz HPLPEKMKFLPIJH-UMSGYPCISA-N 1 3 238.375 1.532 20 0 BDADHO CC[C@@H](C)C[C@@H](CC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246134588 987489820 /nfs/dbraw/zinc/48/98/20/987489820.db2.gz NUDOHTPFSHYQBS-DHGKCCLASA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H]1CC[C@H](NC2(C3CCOCC3)CC2)C[NH2+]1 ZINC001246194221 987584113 /nfs/dbraw/zinc/58/41/13/987584113.db2.gz GRDJPUQWDMGSPO-YPMHNXCESA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H]1C[C@H](NCC(C)(C)c2cnccn2)CC[NH2+]1 ZINC001246197205 987590751 /nfs/dbraw/zinc/59/07/51/987590751.db2.gz ZJCIKRYAXOSANI-NWDGAFQWSA-N 1 3 248.374 1.484 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001246206330 987602530 /nfs/dbraw/zinc/60/25/30/987602530.db2.gz ZNZJKGBEMFYDMU-DDHJBXDOSA-N 1 3 236.359 1.604 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CCN1 ZINC001246219998 987616870 /nfs/dbraw/zinc/61/68/70/987616870.db2.gz BXLPBDGIAYMQSM-RXGFPQBGSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C2CCC(=O)CC2)CCN1 ZINC001246229091 987624715 /nfs/dbraw/zinc/62/47/15/987624715.db2.gz KBAVBKPZJHGTET-MWLCHTKSSA-N 1 3 210.321 1.228 20 0 BDADHO C[C@@H](Cc1cnccn1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246237418 987635903 /nfs/dbraw/zinc/63/59/03/987635903.db2.gz OBGJRXFAVAZWLN-GRYCIOLGSA-N 1 3 234.347 1.138 20 0 BDADHO c1cncc(CCC[NH2+]C2CCNCC2)c1 ZINC001246240128 987639068 /nfs/dbraw/zinc/63/90/68/987639068.db2.gz PIDNGIVWQLCJMX-UHFFFAOYSA-N 1 3 219.332 1.356 20 0 BDADHO C[C@@H]1C[C@H](NCC2(c3ccccn3)CC2)CC[NH2+]1 ZINC001246276031 987670166 /nfs/dbraw/zinc/67/01/66/987670166.db2.gz ALTKBRPTKLCVFR-CHWSQXEVSA-N 1 3 245.370 1.843 20 0 BDADHO CC(C)CC(CC(C)C)[NH2+][C@@H]1CNC[C@@H]1CO ZINC001246309719 987709681 /nfs/dbraw/zinc/70/96/81/987709681.db2.gz SSJRWEWKSUUPNG-TZMCWYRMSA-N 1 3 242.407 1.617 20 0 BDADHO C[C@@H]1C[C@H](Nc2ccc(CN)nc2)CC[NH2+]1 ZINC001246327056 987735069 /nfs/dbraw/zinc/73/50/69/987735069.db2.gz RANGECWUIRQMDC-NXEZZACHSA-N 1 3 220.320 1.093 20 0 BDADHO C[C@H]1CC[C@H](NCCC2CCC(O)CC2)C[NH2+]1 ZINC001246333251 987743423 /nfs/dbraw/zinc/74/34/23/987743423.db2.gz KGIGFMVYIWKUPS-AHPWVWPOSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCO[C@H](C)C2)CCN1 ZINC001246395418 987782644 /nfs/dbraw/zinc/78/26/44/987782644.db2.gz MGJWVRZSRZLTNS-WYUUTHIRSA-N 1 3 212.337 1.284 20 0 BDADHO CCOC(=O)CCC[C@H](C)[NH2+][C@H]1CC12CNC2 ZINC001246442128 987797694 /nfs/dbraw/zinc/79/76/94/987797694.db2.gz BZNMBOOWERXKTE-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO CCOC(=O)CCC[C@H](C)N[C@H]1CC12C[NH2+]C2 ZINC001246442128 987797701 /nfs/dbraw/zinc/79/77/01/987797701.db2.gz BZNMBOOWERXKTE-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO CC1(C)CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246441903 987798434 /nfs/dbraw/zinc/79/84/34/987798434.db2.gz ARNGSGGEXKNFGB-NSHDSACASA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246441903 987798442 /nfs/dbraw/zinc/79/84/42/987798442.db2.gz ARNGSGGEXKNFGB-NSHDSACASA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2CN(C)C[C@@H]12 ZINC001474756800 987818730 /nfs/dbraw/zinc/81/87/30/987818730.db2.gz MCLGHCQIIOLCCO-AAVRWANBSA-N 1 3 248.374 1.201 20 0 BDADHO C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COc3cnccc32)CN1 ZINC001246472008 987827612 /nfs/dbraw/zinc/82/76/12/987827612.db2.gz WNQOPRIZGSTFKJ-IJLUTSLNSA-N 1 3 247.342 1.288 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]C[C@H]2COc3cnccc32)CN1 ZINC001246472010 987829191 /nfs/dbraw/zinc/82/91/91/987829191.db2.gz WNQOPRIZGSTFKJ-WOPDTQHZSA-N 1 3 247.342 1.288 20 0 BDADHO COC(=O)CC[C@H](C)N[C@H]1CCCC[C@H]1[NH3+] ZINC001246477215 987834104 /nfs/dbraw/zinc/83/41/04/987834104.db2.gz HKXSOZJFYGIAJT-AXFHLTTASA-N 1 3 228.336 1.188 20 0 BDADHO CCC1(CC[NH2+][C@H]2CCN[C@@H](C)C2)OCCO1 ZINC001246516255 987865534 /nfs/dbraw/zinc/86/55/34/987865534.db2.gz QYFYLMBPNGEVGO-RYUDHWBXSA-N 1 3 242.363 1.260 20 0 BDADHO CCCC[C@@H]1C[C@@H](N2C[C@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246533762 987891509 /nfs/dbraw/zinc/89/15/09/987891509.db2.gz NZQQLHGNIDZUOT-VOAKCMCISA-N 1 3 243.370 1.278 20 0 BDADHO [NH3+][C@@H]1CN(C2CCCCCCC2)C[C@H]1O ZINC001246560973 987992116 /nfs/dbraw/zinc/99/21/16/987992116.db2.gz WIKCNGNYDWAUPX-VXGBXAGGSA-N 1 3 212.337 1.103 20 0 BDADHO CCOCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566547 988028556 /nfs/dbraw/zinc/02/85/56/988028556.db2.gz SEDUXZNRRXTTMT-WOPDTQHZSA-N 1 3 214.353 1.471 20 0 BDADHO CCOCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](N)C1 ZINC001246566547 988028573 /nfs/dbraw/zinc/02/85/73/988028573.db2.gz SEDUXZNRRXTTMT-WOPDTQHZSA-N 1 3 214.353 1.471 20 0 BDADHO CC[C@H](CC(C)C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582499 988110054 /nfs/dbraw/zinc/11/00/54/988110054.db2.gz ZSZKXBDZDYLCPH-QJPTWQEYSA-N 1 3 214.353 1.063 20 0 BDADHO CC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246582499 988110058 /nfs/dbraw/zinc/11/00/58/988110058.db2.gz ZSZKXBDZDYLCPH-QJPTWQEYSA-N 1 3 214.353 1.063 20 0 BDADHO COC(=O)CC[C@@H](C)N1CCCC[C@@H](C[NH3+])C1 ZINC001246581970 988117843 /nfs/dbraw/zinc/11/78/43/988117843.db2.gz LTLJAXORMFMKDI-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CSC(C)(C)C[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246586418 988144557 /nfs/dbraw/zinc/14/45/57/988144557.db2.gz QFNCUKLFWVLWIJ-OUAUKWLOSA-N 1 3 246.420 1.158 20 0 BDADHO CSC(C)(C)C[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246586418 988144571 /nfs/dbraw/zinc/14/45/71/988144571.db2.gz QFNCUKLFWVLWIJ-OUAUKWLOSA-N 1 3 246.420 1.158 20 0 BDADHO CCCCCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246589193 988158460 /nfs/dbraw/zinc/15/84/60/988158460.db2.gz ZJIWXNJURGZAOU-FRRDWIJNSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246589193 988158482 /nfs/dbraw/zinc/15/84/82/988158482.db2.gz ZJIWXNJURGZAOU-FRRDWIJNSA-N 1 3 228.380 1.597 20 0 BDADHO C[C@H]1CC[C@H]([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618525 988252368 /nfs/dbraw/zinc/25/23/68/988252368.db2.gz LQLYAAPFAFINLG-XUXIUFHCSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@H]1CC[C@H]([N@H+]2CCN[C@H]3CCNCC[C@@H]32)C1 ZINC001246618525 988252391 /nfs/dbraw/zinc/25/23/91/988252391.db2.gz LQLYAAPFAFINLG-XUXIUFHCSA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)CCN1 ZINC001246645507 988362797 /nfs/dbraw/zinc/36/27/97/988362797.db2.gz BSJWYXHYNVWVKC-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCC[C@@]3(CCOC3)C2)CCN1 ZINC001246645507 988362810 /nfs/dbraw/zinc/36/28/10/988362810.db2.gz BSJWYXHYNVWVKC-MGPQQGTHSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@]3(CC3(F)F)C2)CC[NH2+]1 ZINC001246806237 988492335 /nfs/dbraw/zinc/49/23/35/988492335.db2.gz HDVMBYIRCBFAOE-MXWKQRLJSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)CCN1 ZINC001246806237 988492340 /nfs/dbraw/zinc/49/23/40/988492340.db2.gz HDVMBYIRCBFAOE-MXWKQRLJSA-N 1 3 230.302 1.858 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC3(F)F)C2)CCN1 ZINC001246806237 988492348 /nfs/dbraw/zinc/49/23/48/988492348.db2.gz HDVMBYIRCBFAOE-MXWKQRLJSA-N 1 3 230.302 1.858 20 0 BDADHO COC(C)(C)[C@@H]1CCC[N@@H+]1[C@H]1CCCNC1 ZINC001246812332 988496664 /nfs/dbraw/zinc/49/66/64/988496664.db2.gz YUIFUENSWDECDY-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H]1CCCNC1 ZINC001246812332 988496675 /nfs/dbraw/zinc/49/66/75/988496675.db2.gz YUIFUENSWDECDY-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO c1ccc([C@H]2CN([C@@H]3CCC[NH2+]C3)CCN2)cc1 ZINC001246827969 988514657 /nfs/dbraw/zinc/51/46/57/988514657.db2.gz PBTQHMGLNJYFCU-HUUCEWRRSA-N 1 3 245.370 1.385 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858364 988590211 /nfs/dbraw/zinc/59/02/11/988590211.db2.gz GASNYFMBGSQHJV-DGORSVRFSA-N 1 3 212.312 1.559 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)CCN1 ZINC001246858364 988590222 /nfs/dbraw/zinc/59/02/22/988590222.db2.gz GASNYFMBGSQHJV-DGORSVRFSA-N 1 3 212.312 1.559 20 0 BDADHO CN[C@H]1CCN1C1CCC2(CC[NH2+]CC2)CC1 ZINC001246901407 988675753 /nfs/dbraw/zinc/67/57/53/988675753.db2.gz XCDZINGIEHKADL-CYBMUJFWSA-N 1 3 237.391 1.550 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@@H+]1CCC[C@@H]1CN ZINC001246913711 988697232 /nfs/dbraw/zinc/69/72/32/988697232.db2.gz KMTWEAMZPHUCNE-WDEREUQCSA-N 1 3 228.336 1.141 20 0 BDADHO CCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@H]1CN ZINC001246913711 988697241 /nfs/dbraw/zinc/69/72/41/988697241.db2.gz KMTWEAMZPHUCNE-WDEREUQCSA-N 1 3 228.336 1.141 20 0 BDADHO C[N@H+](CCO)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246911665 988699343 /nfs/dbraw/zinc/69/93/43/988699343.db2.gz IHPICQCMAQKWRM-HUUCEWRRSA-N 1 3 248.370 1.274 20 0 BDADHO C[N@@H+](CCO)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246911665 988699351 /nfs/dbraw/zinc/69/93/51/988699351.db2.gz IHPICQCMAQKWRM-HUUCEWRRSA-N 1 3 248.370 1.274 20 0 BDADHO C[C@H](N)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001118932739 988715215 /nfs/dbraw/zinc/71/52/15/988715215.db2.gz CHCKVXWYROSWQG-GUBZILKMSA-N 1 3 200.351 1.019 20 0 BDADHO C[C@H](N)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC001118932739 988715232 /nfs/dbraw/zinc/71/52/32/988715232.db2.gz CHCKVXWYROSWQG-GUBZILKMSA-N 1 3 200.351 1.019 20 0 BDADHO CCN1CCN([C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC001246997928 988833924 /nfs/dbraw/zinc/83/39/24/988833924.db2.gz WDWGGQBVTRAPLR-YNEHKIRRSA-N 1 3 225.380 1.153 20 0 BDADHO [NH3+]C[C@H](NCCc1ccc(F)cc1F)C1CC1 ZINC001326073910 989363666 /nfs/dbraw/zinc/36/36/66/989363666.db2.gz BAQYHURBQCPBQE-ZDUSSCGKSA-N 1 3 240.297 1.834 20 0 BDADHO CC(C)C[NH2+]CC(=O)Nc1ccc2c(c1)CNC2 ZINC001326595023 989619877 /nfs/dbraw/zinc/61/98/77/989619877.db2.gz FRNLVCIFBHMSLJ-UHFFFAOYSA-N 1 3 247.342 1.474 20 0 BDADHO CCCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC001326688030 989653830 /nfs/dbraw/zinc/65/38/30/989653830.db2.gz MZZSKYQQHYKABO-NEPJUHHUSA-N 1 3 241.379 1.104 20 0 BDADHO CSC[C@@H](O)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001120485544 989665548 /nfs/dbraw/zinc/66/55/48/989665548.db2.gz OQVJSJYQYAOVFH-NEPJUHHUSA-N 1 3 246.420 1.030 20 0 BDADHO CSC[C@@H](O)CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC001120485544 989665554 /nfs/dbraw/zinc/66/55/54/989665554.db2.gz OQVJSJYQYAOVFH-NEPJUHHUSA-N 1 3 246.420 1.030 20 0 BDADHO CC(C)[N@H+](C)CCCNC[C@H](O)C1CC1 ZINC001120569579 989737292 /nfs/dbraw/zinc/73/72/92/989737292.db2.gz BYNJXMYVYAFRPT-LBPRGKRZSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+](C)CCCNC[C@H](O)C1CC1 ZINC001120569579 989737301 /nfs/dbraw/zinc/73/73/01/989737301.db2.gz BYNJXMYVYAFRPT-LBPRGKRZSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)N(C)CCC[NH2+]C[C@H](O)C1CC1 ZINC001120569579 989737319 /nfs/dbraw/zinc/73/73/19/989737319.db2.gz BYNJXMYVYAFRPT-LBPRGKRZSA-N 1 3 214.353 1.077 20 0 BDADHO CCC[NH2+][C@@H](C)C(=O)Nc1cccc2c1CNC2 ZINC001522512512 989860274 /nfs/dbraw/zinc/86/02/74/989860274.db2.gz ROTWJOALUZFDMP-JTQLQIEISA-N 1 3 247.342 1.616 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001122017895 990187273 /nfs/dbraw/zinc/18/72/73/990187273.db2.gz ZCZMAXDIYXEFHY-BJDJZHNGSA-N 1 3 241.379 1.136 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@@H+]1CCC[C@H](N)C1 ZINC001258105961 991015825 /nfs/dbraw/zinc/01/58/25/991015825.db2.gz VFOBLPUGDMYOLU-RYUDHWBXSA-N 1 3 242.363 1.531 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@H+]1CCC[C@H](N)C1 ZINC001258105961 991015839 /nfs/dbraw/zinc/01/58/39/991015839.db2.gz VFOBLPUGDMYOLU-RYUDHWBXSA-N 1 3 242.363 1.531 20 0 BDADHO Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2CN(C)C[C@@H]21 ZINC001308555394 991037501 /nfs/dbraw/zinc/03/75/01/991037501.db2.gz VOMWUDIWFOBCSF-SOUVJXGZSA-N 1 3 245.370 1.820 20 0 BDADHO CCC[N@H+](CCCN)[C@@H](C)CCC(=O)OC ZINC001258346345 991272209 /nfs/dbraw/zinc/27/22/09/991272209.db2.gz BXKCOSMCJKDURY-NSHDSACASA-N 1 3 230.352 1.389 20 0 BDADHO CCC[N@@H+](CCCN)[C@@H](C)CCC(=O)OC ZINC001258346345 991272221 /nfs/dbraw/zinc/27/22/21/991272221.db2.gz BXKCOSMCJKDURY-NSHDSACASA-N 1 3 230.352 1.389 20 0 BDADHO CC(C)[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001317268244 991485161 /nfs/dbraw/zinc/48/51/61/991485161.db2.gz YKKKTHLMUFBQEL-VXGBXAGGSA-N 1 3 243.395 1.075 20 0 BDADHO CC1CC([NH2+][C@@H]2CC[C@@H]3CN(C)C[C@H]23)C1 ZINC001561052894 991705050 /nfs/dbraw/zinc/70/50/50/991705050.db2.gz OCHPPFKFGFCHAP-ZWMSFMBMSA-N 1 3 208.349 1.715 20 0 BDADHO CC1CC([NH2+][C@@H]2CC[C@H]3CN(C)C[C@H]32)C1 ZINC001561052891 991706187 /nfs/dbraw/zinc/70/61/87/991706187.db2.gz OCHPPFKFGFCHAP-BEZKJRAVSA-N 1 3 208.349 1.715 20 0 BDADHO CCC[NH+]1CCC(NC[C@@H]2CCO2)CC1 ZINC001258766460 991726526 /nfs/dbraw/zinc/72/65/26/991726526.db2.gz VATGYZGZXKLCHD-LBPRGKRZSA-N 1 3 212.337 1.239 20 0 BDADHO CCCN1CCC([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001258766790 991728416 /nfs/dbraw/zinc/72/84/16/991728416.db2.gz AILQLYDHSJIQNY-STQMWFEESA-N 1 3 244.354 1.577 20 0 BDADHO COc1ccccc1C[C@H](C)NC(C)(C)C[NH3+] ZINC001258879181 991888918 /nfs/dbraw/zinc/88/89/18/991888918.db2.gz CNKAHEDFXPSOHA-NSHDSACASA-N 1 3 236.359 1.953 20 0 BDADHO CC(C)(C)O[C@@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC001573469114 992615453 /nfs/dbraw/zinc/61/54/53/992615453.db2.gz JIRCBKSPGATXLV-NXEZZACHSA-N 1 3 214.353 1.517 20 0 BDADHO C1SCC12CCC([NH2+][C@H]1CCNC1)CC2 ZINC001574817353 992919887 /nfs/dbraw/zinc/91/98/87/992919887.db2.gz ZKIUERFDLUYYDO-NSHDSACASA-N 1 3 226.389 1.614 20 0 BDADHO CC(C)(C)OC(=O)CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001575161150 993001843 /nfs/dbraw/zinc/00/18/43/993001843.db2.gz WINLFMHETPAMLF-ZJUUUORDSA-N 1 3 242.363 1.434 20 0 BDADHO CC(C)(CN)C[NH2+]C[C@]1(C)CCCCO1 ZINC001575315894 993003452 /nfs/dbraw/zinc/00/34/52/993003452.db2.gz ZTIHIUHCONZANI-LBPRGKRZSA-N 1 3 214.353 1.520 20 0 BDADHO CC(C)(C)OC1CC(NC(C)(C)C[NH3+])C1 ZINC001575317495 993009804 /nfs/dbraw/zinc/00/98/04/993009804.db2.gz DALWFLYEKHROLS-UHFFFAOYSA-N 1 3 214.353 1.659 20 0 BDADHO CC(C)(CN)C[NH2+]C1Cc2ccccc2C1 ZINC001575315088 993011143 /nfs/dbraw/zinc/01/11/43/993011143.db2.gz HECOCHFYJLNIPS-UHFFFAOYSA-N 1 3 218.344 1.728 20 0 BDADHO CC(C)[C@H](O)CC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC001575472978 993050842 /nfs/dbraw/zinc/05/08/42/993050842.db2.gz ROGJPFGAHPOYFH-YNEHKIRRSA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)[C@H](O)CC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC001575472978 993050850 /nfs/dbraw/zinc/05/08/50/993050850.db2.gz ROGJPFGAHPOYFH-YNEHKIRRSA-N 1 3 226.364 1.207 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC001575473355 993052407 /nfs/dbraw/zinc/05/24/07/993052407.db2.gz UMNQUFIBOONIPI-GXTWGEPZSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC001575473355 993052412 /nfs/dbraw/zinc/05/24/12/993052412.db2.gz UMNQUFIBOONIPI-GXTWGEPZSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)[C@@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC001575473357 993054766 /nfs/dbraw/zinc/05/47/66/993054766.db2.gz UMNQUFIBOONIPI-JSGCOSHPSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)[C@@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC001575473357 993054771 /nfs/dbraw/zinc/05/47/71/993054771.db2.gz UMNQUFIBOONIPI-JSGCOSHPSA-N 1 3 242.407 1.700 20 0 BDADHO CC(C)C[C@@](C)(C[NH3+])C(=O)N(C)CCN(C)C ZINC001575523112 993062656 /nfs/dbraw/zinc/06/26/56/993062656.db2.gz QRGRDEDGWKBIPP-ZDUSSCGKSA-N 1 3 243.395 1.018 20 0 BDADHO CC(C)OC[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001576040640 993165728 /nfs/dbraw/zinc/16/57/28/993165728.db2.gz KLSLOUMRLOPDHN-WOPDTQHZSA-N 1 3 214.353 1.245 20 0 BDADHO C[C@H](Cc1ccno1)N[C@@H]1CCC[NH2+]CC1 ZINC001576067758 993170356 /nfs/dbraw/zinc/17/03/56/993170356.db2.gz ZXYDDXVHUVEPEZ-GHMZBOCLSA-N 1 3 223.320 1.337 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC001576385057 993292780 /nfs/dbraw/zinc/29/27/80/993292780.db2.gz WVJCHQYNSDOWFN-OPRDCNLKSA-N 1 3 247.333 1.041 20 0 BDADHO CC1(C)CC2(CC([NH2+][C@H]3C[C@H](N)C3)C2)CO1 ZINC001576404684 993297832 /nfs/dbraw/zinc/29/78/32/993297832.db2.gz JWGOXADUNDBNQI-QHQXYLSRSA-N 1 3 224.348 1.413 20 0 BDADHO CC1(C)CC2(CC(N[C@H]3C[C@H]([NH3+])C3)C2)CO1 ZINC001576404684 993297842 /nfs/dbraw/zinc/29/78/42/993297842.db2.gz JWGOXADUNDBNQI-QHQXYLSRSA-N 1 3 224.348 1.413 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CN(C)CC(C)C ZINC000379993864 993303390 /nfs/dbraw/zinc/30/33/90/993303390.db2.gz YZZOOZGDHQOROA-LBPRGKRZSA-N 1 3 216.369 1.277 20 0 BDADHO Cc1cccnc1CN1CCCC[C@@H](C[NH3+])C1 ZINC000379939631 993298728 /nfs/dbraw/zinc/29/87/28/993298728.db2.gz WYUBNFWCSUNJIF-ZDUSSCGKSA-N 1 3 233.359 1.951 20 0 BDADHO CC1(C)CCC[C@@H](CNC[C@@H]2CCC[NH2+]C2)O1 ZINC001576426510 993298892 /nfs/dbraw/zinc/29/88/92/993298892.db2.gz JQMIMJQQVRPNTR-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO NC[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC000380034370 993305947 /nfs/dbraw/zinc/30/59/47/993305947.db2.gz QAGWQEYIBUVLKJ-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO NC[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1 ZINC000380034370 993305960 /nfs/dbraw/zinc/30/59/60/993305960.db2.gz QAGWQEYIBUVLKJ-AWEZNQCLSA-N 1 3 240.391 1.864 20 0 BDADHO CC12CC(CN3CCC(C)([NH3+])CC3)(C1)CO2 ZINC001576531589 993333713 /nfs/dbraw/zinc/33/37/13/993333713.db2.gz UULLQBLPPWWOBH-UHFFFAOYSA-N 1 3 224.348 1.369 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC001576623383 993373246 /nfs/dbraw/zinc/37/32/46/993373246.db2.gz KQBDHXUECULBAZ-GCHJQGSQSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1COC(C)(C)O1 ZINC001576622417 993374419 /nfs/dbraw/zinc/37/44/19/993374419.db2.gz DNCUTAXEBRBDSZ-DDHJBXDOSA-N 1 3 242.363 1.257 20 0 BDADHO C[C@H]1CC2(CC([NH2+][C@H]3C[C@H](N)C3)C2)CO1 ZINC001576637872 993381219 /nfs/dbraw/zinc/38/12/19/993381219.db2.gz XCMSAZSOUPAIDV-JCZBKMKOSA-N 1 3 210.321 1.023 20 0 BDADHO C[C@H]1CC2(CC(N[C@H]3C[C@H]([NH3+])C3)C2)CO1 ZINC001576637872 993381223 /nfs/dbraw/zinc/38/12/23/993381223.db2.gz XCMSAZSOUPAIDV-JCZBKMKOSA-N 1 3 210.321 1.023 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC000381323904 993385444 /nfs/dbraw/zinc/38/54/44/993385444.db2.gz QBRFFFWPUSBYNZ-RWMBFGLXSA-N 1 3 228.380 1.730 20 0 BDADHO COC[C@H](C)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC000381323904 993385451 /nfs/dbraw/zinc/38/54/51/993385451.db2.gz QBRFFFWPUSBYNZ-RWMBFGLXSA-N 1 3 228.380 1.730 20 0 BDADHO C[C@H](O)[C@@H]1C[C@H](C)CCN1CCC[NH2+]C1CC1 ZINC001576730986 993407742 /nfs/dbraw/zinc/40/77/42/993407742.db2.gz BPRBWXUQKRSAAB-DYEKYZERSA-N 1 3 240.391 1.610 20 0 BDADHO C/C=C/C[C@H](CO)[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC001576914768 993449130 /nfs/dbraw/zinc/44/91/30/993449130.db2.gz NGOIACOOZCYFJS-VMZVSEJASA-N 1 3 212.337 1.029 20 0 BDADHO C/C=C/C[C@H](CO)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001576914768 993449135 /nfs/dbraw/zinc/44/91/35/993449135.db2.gz NGOIACOOZCYFJS-VMZVSEJASA-N 1 3 212.337 1.029 20 0 BDADHO CC[C@@H](C)[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC001576961015 993469666 /nfs/dbraw/zinc/46/96/66/993469666.db2.gz KLHTZZWSPFYAET-NDBYEHHHSA-N 1 3 226.364 1.199 20 0 BDADHO CC[C@H](C)C[C@H](CO)[NH2+]CC(C)(C)CN ZINC001576971451 993475895 /nfs/dbraw/zinc/47/58/95/993475895.db2.gz PJFDDOABFSIGQF-WDEREUQCSA-N 1 3 216.369 1.358 20 0 BDADHO CC[C@@H](C)[C@H](CN[C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973666 993478669 /nfs/dbraw/zinc/47/86/69/993478669.db2.gz YGSQWFXBDMAIDF-ZNSHCXBVSA-N 1 3 200.326 1.127 20 0 BDADHO CC[C@H](CO)[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001577090100 993498867 /nfs/dbraw/zinc/49/88/67/993498867.db2.gz PKQVVAFVISCWLI-YNEHKIRRSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](CO)[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001577090100 993498869 /nfs/dbraw/zinc/49/88/69/993498869.db2.gz PKQVVAFVISCWLI-YNEHKIRRSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](COC)NC[C@@H]([NH3+])CC(F)(F)F ZINC001577093062 993504127 /nfs/dbraw/zinc/50/41/27/993504127.db2.gz NYUKWCWQGJPJLQ-JGVFFNPUSA-N 1 3 228.258 1.281 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](C)[C@H]1COc2ccccc2C1 ZINC001577124436 993511013 /nfs/dbraw/zinc/51/10/13/993511013.db2.gz APPQYBVDUPVGFO-BNOWGMLFSA-N 1 3 248.370 1.953 20 0 BDADHO CC[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001577182821 993536009 /nfs/dbraw/zinc/53/60/09/993536009.db2.gz SZDBUPONQGQPQA-RWMBFGLXSA-N 1 3 226.364 1.208 20 0 BDADHO CC[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]2(CN)C1 ZINC001577182821 993536018 /nfs/dbraw/zinc/53/60/18/993536018.db2.gz SZDBUPONQGQPQA-RWMBFGLXSA-N 1 3 226.364 1.208 20 0 BDADHO COC1(C)CC[NH+](C2CCNCC2)CC1 ZINC000389722988 993764701 /nfs/dbraw/zinc/76/47/01/993764701.db2.gz PZAQAOUTCDBGPA-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO COC1(C)CCN(C2CC[NH2+]CC2)CC1 ZINC000389722988 993764710 /nfs/dbraw/zinc/76/47/10/993764710.db2.gz PZAQAOUTCDBGPA-UHFFFAOYSA-N 1 3 212.337 1.239 20 0 BDADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC001308253878 995601127 /nfs/dbraw/zinc/60/11/27/995601127.db2.gz CTOAKDBNFFSCHZ-ZDUSSCGKSA-N 1 3 240.391 1.875 20 0 BDADHO C([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1CCCN1 ZINC000325083970 490105900 /nfs/dbraw/zinc/10/59/00/490105900.db2.gz ZRQOXLQYFKKVJB-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO C(N[C@@H](C1CC1)C1CCC1)[C@H]1CCC[NH2+]1 ZINC000325083970 490105891 /nfs/dbraw/zinc/10/58/91/490105891.db2.gz ZRQOXLQYFKKVJB-CHWSQXEVSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1cc(CNC2CCC([NH+](C)C)CC2)no1 ZINC000353506789 178018159 /nfs/dbraw/zinc/01/81/59/178018159.db2.gz ZRDFEJLMKPJRPX-UHFFFAOYSA-N 1 3 237.347 1.945 20 0 BDADHO CC(C)C[C@H](N)C[NH2+][C@H]1COc2ccccc2C1 ZINC000415088462 398157875 /nfs/dbraw/zinc/15/78/75/398157875.db2.gz XNWNMAFJVVBENR-UONOGXRCSA-N 1 3 248.370 1.953 20 0 BDADHO COC[C@@H]([NH2+]C[C@@]1(C)CCCNC1)C(C)C ZINC000423327080 398166498 /nfs/dbraw/zinc/16/64/98/398166498.db2.gz LAXBZELUTFBZHZ-OLZOCXBDSA-N 1 3 228.380 1.637 20 0 BDADHO COC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000423327080 398166505 /nfs/dbraw/zinc/16/65/05/398166505.db2.gz LAXBZELUTFBZHZ-OLZOCXBDSA-N 1 3 228.380 1.637 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC2(COC)CCC2)C1 ZINC000380230095 398192368 /nfs/dbraw/zinc/19/23/68/398192368.db2.gz XXPUHSJCQPQSLO-ZDUSSCGKSA-N 1 3 240.391 1.735 20 0 BDADHO Cc1cc(N2CC[C@H]3CCN(C)C[C@H]32)cc[nH+]1 ZINC000274814454 178120042 /nfs/dbraw/zinc/12/00/42/178120042.db2.gz YSVSNVOVMJPPAQ-TZMCWYRMSA-N 1 3 231.343 1.920 20 0 BDADHO CN(CCC1CC[NH2+]CC1)Cc1cn[nH]c1 ZINC000649413541 398212040 /nfs/dbraw/zinc/21/20/40/398212040.db2.gz FZWRKXNQPCGAIT-UHFFFAOYSA-N 1 3 222.336 1.231 20 0 BDADHO CN(CCCO)C1CC[NH+](CC2(C)CC2)CC1 ZINC000515954565 398213022 /nfs/dbraw/zinc/21/30/22/398213022.db2.gz OHAVNQSVYIQGDJ-UHFFFAOYSA-N 1 3 240.391 1.565 20 0 BDADHO Cc1ncsc1CCN[C@@](C)(C[NH3+])C1CC1 ZINC000430557958 398227872 /nfs/dbraw/zinc/22/78/72/398227872.db2.gz OURMVGWDDXHEGA-LBPRGKRZSA-N 1 3 239.388 1.711 20 0 BDADHO Cn1ncnc1CNC(C)(C)CCC[NH+](C)C ZINC000387191513 398228214 /nfs/dbraw/zinc/22/82/14/398228214.db2.gz GGBZKBUACXMQDJ-UHFFFAOYSA-N 1 3 239.367 1.025 20 0 BDADHO CC(C)N1CCN([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000229542206 538939384 /nfs/dbraw/zinc/93/93/84/538939384.db2.gz LUWLMFFPWHXYGN-QWHCGFSZSA-N 1 3 225.380 1.153 20 0 BDADHO CC(C)[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCS1 ZINC000390756817 398247189 /nfs/dbraw/zinc/24/71/89/398247189.db2.gz IIYBACMEANFYOM-VXGBXAGGSA-N 1 3 228.405 1.669 20 0 BDADHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)[C@@H]1CCOC1 ZINC000344330989 365684017 /nfs/dbraw/zinc/68/40/17/365684017.db2.gz OIQVDRRYAOOOLT-ZIAGYGMSSA-N 1 3 238.375 1.653 20 0 BDADHO CCC(CC)N(CCC[NH2+]C)CCOC ZINC000042681312 168372977 /nfs/dbraw/zinc/37/29/77/168372977.db2.gz PLQUFJFQPDUDQG-UHFFFAOYSA-N 1 3 216.369 1.733 20 0 BDADHO CCC(CC)[N@H+](CCCNC)CCOC ZINC000042681312 168372979 /nfs/dbraw/zinc/37/29/79/168372979.db2.gz PLQUFJFQPDUDQG-UHFFFAOYSA-N 1 3 216.369 1.733 20 0 BDADHO CCC(CC)[N@@H+](CCCNC)CCOC ZINC000042681312 168372981 /nfs/dbraw/zinc/37/29/81/168372981.db2.gz PLQUFJFQPDUDQG-UHFFFAOYSA-N 1 3 216.369 1.733 20 0 BDADHO CC1([NH3+])CCN(CC[C@H]2CCOC2)CC1 ZINC000381787900 398272138 /nfs/dbraw/zinc/27/21/38/398272138.db2.gz ZGULFASOGNEOPG-NSHDSACASA-N 1 3 212.337 1.226 20 0 BDADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000583937442 342728614 /nfs/dbraw/zinc/72/86/14/342728614.db2.gz NCVIGRJXTAOGCY-QJPTWQEYSA-N 1 3 241.379 1.103 20 0 BDADHO CC(C)N1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040671739 538972129 /nfs/dbraw/zinc/97/21/29/538972129.db2.gz AEAJNPVYSVIWHT-AWEZNQCLSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(C)C2)CC1 ZINC000040671739 538972130 /nfs/dbraw/zinc/97/21/30/538972130.db2.gz AEAJNPVYSVIWHT-AWEZNQCLSA-N 1 3 239.407 1.543 20 0 BDADHO C(C[NH2+][C@H]1CCO[C@@H]1C1CC1)CN1CCCC1 ZINC000232457498 342834876 /nfs/dbraw/zinc/83/48/76/342834876.db2.gz RKFXHUOZCBERMB-UONOGXRCSA-N 1 3 238.375 1.629 20 0 BDADHO C(CN[C@H]1CCO[C@@H]1C1CC1)C[NH+]1CCCC1 ZINC000232457498 342834877 /nfs/dbraw/zinc/83/48/77/342834877.db2.gz RKFXHUOZCBERMB-UONOGXRCSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)[C@H]1CCCNC1 ZINC000583988665 342829950 /nfs/dbraw/zinc/82/99/50/342829950.db2.gz PCBHIYZCNCPQCB-AVGNSLFASA-N 1 3 242.407 1.761 20 0 BDADHO Cc1cc(CN[C@@H](C)C2CC[NH+](C)CC2)on1 ZINC000044986336 538991015 /nfs/dbraw/zinc/99/10/15/538991015.db2.gz IHUPTFHFGFQZGN-NSHDSACASA-N 1 3 237.347 1.803 20 0 BDADHO CN1CC[C@@H](NC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000335626075 136240740 /nfs/dbraw/zinc/24/07/40/136240740.db2.gz XDYWCVFTUKMIKG-UKRRQHHQSA-N 1 3 245.370 1.383 20 0 BDADHO c1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000335633528 136241757 /nfs/dbraw/zinc/24/17/57/136241757.db2.gz IYFFDWFRSNFCQM-VXGBXAGGSA-N 1 3 234.347 1.231 20 0 BDADHO Cn1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000335634085 136241833 /nfs/dbraw/zinc/24/18/33/136241833.db2.gz MBAJEZLMRACDHQ-ZIAGYGMSSA-N 1 3 248.374 1.242 20 0 BDADHO C[C@@H](C[NH2+]C1CSC1)CN1CCCCC1 ZINC000389955106 539018753 /nfs/dbraw/zinc/01/87/53/539018753.db2.gz UBECKVZFWIYGEC-NSHDSACASA-N 1 3 228.405 1.813 20 0 BDADHO C1CC(N[C@H]2CCCC[NH2+]C2)CCS1 ZINC000335644860 136243169 /nfs/dbraw/zinc/24/31/69/136243169.db2.gz VUHVXAJIVXELFC-NSHDSACASA-N 1 3 214.378 1.614 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000335646745 136244008 /nfs/dbraw/zinc/24/40/08/136244008.db2.gz MILUSJLVGCIJMV-ZJUUUORDSA-N 1 3 214.378 1.470 20 0 BDADHO CN(CCC[NH3+])CC[C@H]1CCCCO1 ZINC000382082873 398304821 /nfs/dbraw/zinc/30/48/21/398304821.db2.gz QNZCQNVNSSNSBC-LLVKDONJSA-N 1 3 200.326 1.226 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1CC[C@H]1CCOC1 ZINC000300361418 259326996 /nfs/dbraw/zinc/32/69/96/259326996.db2.gz DLPNGUFMUNWONJ-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC[C@H]1CCOC1 ZINC000300361418 259326997 /nfs/dbraw/zinc/32/69/97/259326997.db2.gz DLPNGUFMUNWONJ-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC[C@H]1CCOC1 ZINC000300361418 259326998 /nfs/dbraw/zinc/32/69/98/259326998.db2.gz DLPNGUFMUNWONJ-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[NH+](C)C1CCC(NCc2cc[nH]n2)CC1 ZINC000309911822 398326040 /nfs/dbraw/zinc/32/60/40/398326040.db2.gz NCIHZYJKZKCTMA-UHFFFAOYSA-N 1 3 222.336 1.372 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000300360084 398343801 /nfs/dbraw/zinc/34/38/01/398343801.db2.gz SWPBKKKDAUYUAN-OLZOCXBDSA-N 1 3 228.380 1.874 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccccc2N(C)C)C1 ZINC000351856752 136258060 /nfs/dbraw/zinc/25/80/60/136258060.db2.gz WATJLUKKLBQJAV-QWHCGFSZSA-N 1 3 247.386 1.922 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](c2ccccc2)C1 ZINC000576881308 365712788 /nfs/dbraw/zinc/71/27/88/365712788.db2.gz YULQIDGKPCZJJC-HUUCEWRRSA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881308 365712792 /nfs/dbraw/zinc/71/27/92/365712792.db2.gz YULQIDGKPCZJJC-HUUCEWRRSA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000576881308 365712795 /nfs/dbraw/zinc/71/27/95/365712795.db2.gz YULQIDGKPCZJJC-HUUCEWRRSA-N 1 3 248.370 1.446 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](c2ccccc2)C1 ZINC000576881307 365712981 /nfs/dbraw/zinc/71/29/81/365712981.db2.gz YULQIDGKPCZJJC-GJZGRUSLSA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881307 365712986 /nfs/dbraw/zinc/71/29/86/365712986.db2.gz YULQIDGKPCZJJC-GJZGRUSLSA-N 1 3 248.370 1.446 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000576881307 365712992 /nfs/dbraw/zinc/71/29/92/365712992.db2.gz YULQIDGKPCZJJC-GJZGRUSLSA-N 1 3 248.370 1.446 20 0 BDADHO COC[C@H](C)CN(C)CCC[NH+]1CCCC1 ZINC000120562390 343127199 /nfs/dbraw/zinc/12/71/99/343127199.db2.gz MPKLCWJWKGOZPX-CYBMUJFWSA-N 1 3 228.380 1.687 20 0 BDADHO COCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062079374 136271966 /nfs/dbraw/zinc/27/19/66/136271966.db2.gz MVQRHWBRCGSAPA-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CN1CCC[C@@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000088091301 136284369 /nfs/dbraw/zinc/28/43/69/136284369.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CN1CCC[C@@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000088091301 136284370 /nfs/dbraw/zinc/28/43/70/136284370.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+]1CCC[C@@H]2CN(CCCCO)CC[C@@H]21 ZINC000088091301 136284371 /nfs/dbraw/zinc/28/43/71/136284371.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCC[C@@H]2CN(CCCCO)CC[C@@H]21 ZINC000088091301 136284372 /nfs/dbraw/zinc/28/43/72/136284372.db2.gz YEAFRILIHGCUDH-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H]1CC[C@H](CN2CCC[C@H]3C[NH2+]CC[C@@H]32)O1 ZINC000634688509 343248171 /nfs/dbraw/zinc/24/81/71/343248171.db2.gz VBFUBPYLCHSQQP-RQJABVFESA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]3CNCC[C@@H]32)O1 ZINC000634688509 343248173 /nfs/dbraw/zinc/24/81/73/343248173.db2.gz VBFUBPYLCHSQQP-RQJABVFESA-N 1 3 238.375 1.628 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]3CNCC[C@@H]32)O1 ZINC000634688509 343248174 /nfs/dbraw/zinc/24/81/74/343248174.db2.gz VBFUBPYLCHSQQP-RQJABVFESA-N 1 3 238.375 1.628 20 0 BDADHO CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084222831 136290720 /nfs/dbraw/zinc/29/07/20/136290720.db2.gz GLDKJIBSYCWSSP-GHMZBOCLSA-N 1 3 214.353 1.255 20 0 BDADHO c1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000335636018 136300721 /nfs/dbraw/zinc/30/07/21/136300721.db2.gz SYTYKEJGYILEHP-KBPBESRZSA-N 1 3 245.370 1.903 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCSCC1 ZINC000335639517 136303636 /nfs/dbraw/zinc/30/36/36/136303636.db2.gz VIGJXCBXGJZTJB-MWLCHTKSSA-N 1 3 214.378 1.470 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)C2(N)CC2)c1 ZINC000122944420 343391502 /nfs/dbraw/zinc/39/15/02/343391502.db2.gz LZQKOKQRZFXHDU-UHFFFAOYSA-N 1 3 233.315 1.226 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)C2(N)CC2)cc1 ZINC000335682580 136329245 /nfs/dbraw/zinc/32/92/45/136329245.db2.gz CESJOVWJOAGFCC-QMMMGPOBSA-N 1 3 219.288 1.136 20 0 BDADHO COCCN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500488 536894324 /nfs/dbraw/zinc/89/43/24/536894324.db2.gz IHYPBBQQEGLNNX-NEPJUHHUSA-N 1 3 214.353 1.533 20 0 BDADHO COC[C@@H](C)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570092902 323049898 /nfs/dbraw/zinc/04/98/98/323049898.db2.gz AVNRUJDLJLZNEM-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccsc1 ZINC000379621689 343585780 /nfs/dbraw/zinc/58/57/80/343585780.db2.gz GFJWXSHIRCTXHE-NXEZZACHSA-N 1 3 212.362 1.864 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccsc1 ZINC000379621689 343585784 /nfs/dbraw/zinc/58/57/84/343585784.db2.gz GFJWXSHIRCTXHE-NXEZZACHSA-N 1 3 212.362 1.864 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccco1 ZINC000308806305 259367510 /nfs/dbraw/zinc/36/75/10/259367510.db2.gz AGHFJGGGMFXACZ-GHMZBOCLSA-N 1 3 210.321 1.785 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)C1(C)C ZINC000300625160 537813131 /nfs/dbraw/zinc/81/31/31/537813131.db2.gz FGUCJAKYVZFUQI-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCNCC2)C1(C)C ZINC000300625160 537813136 /nfs/dbraw/zinc/81/31/36/537813136.db2.gz FGUCJAKYVZFUQI-YNEHKIRRSA-N 1 3 240.391 1.922 20 0 BDADHO CCOCC1CC[NH+](C2CCNCC2)CC1 ZINC000409425409 343819402 /nfs/dbraw/zinc/81/94/02/343819402.db2.gz FSRKUIUVHVBOIF-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO CCOCC1CCN(C2CC[NH2+]CC2)CC1 ZINC000409425409 343819404 /nfs/dbraw/zinc/81/94/04/343819404.db2.gz FSRKUIUVHVBOIF-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO Cc1cccc(C)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000096811121 343904284 /nfs/dbraw/zinc/90/42/84/343904284.db2.gz MDOCYSXRSQJNGP-ZIAGYGMSSA-N 1 3 230.355 1.955 20 0 BDADHO COCC[C@H](C)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782929 343904672 /nfs/dbraw/zinc/90/46/72/343904672.db2.gz UZMFPIIKNPWEJW-SRVKXCTJSA-N 1 3 212.337 1.225 20 0 BDADHO COCCCC[N@@H+]1CCCC[C@@H]1CCN ZINC000131057987 344227284 /nfs/dbraw/zinc/22/72/84/344227284.db2.gz DXFLODLBLCXZCW-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO COCCCC[N@H+]1CCCC[C@@H]1CCN ZINC000131057987 344227288 /nfs/dbraw/zinc/22/72/88/344227288.db2.gz DXFLODLBLCXZCW-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO COCCCCN1CCCC[C@@H]1CC[NH3+] ZINC000131057987 344227291 /nfs/dbraw/zinc/22/72/91/344227291.db2.gz DXFLODLBLCXZCW-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000600700822 344359910 /nfs/dbraw/zinc/35/99/10/344359910.db2.gz FICUQDFAXZWNPZ-NWDGAFQWSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000600700822 344359913 /nfs/dbraw/zinc/35/99/13/344359913.db2.gz FICUQDFAXZWNPZ-NWDGAFQWSA-N 1 3 242.363 1.531 20 0 BDADHO CC[C@@H]1CN(CCCCC(=O)OC)CC[C@@H]1[NH3+] ZINC000600709269 344360931 /nfs/dbraw/zinc/36/09/31/344360931.db2.gz IBDBCZHFLRJOPW-NEPJUHHUSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000133009266 344310333 /nfs/dbraw/zinc/31/03/33/344310333.db2.gz BPCGSVXIIZWKGY-WDEREUQCSA-N 1 3 202.342 1.341 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1CCCSCC1 ZINC000042444874 344454107 /nfs/dbraw/zinc/45/41/07/344454107.db2.gz GQUVTCJTZJTTSM-LLVKDONJSA-N 1 3 216.394 1.799 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1CCCSCC1 ZINC000042444874 344454109 /nfs/dbraw/zinc/45/41/09/344454109.db2.gz GQUVTCJTZJTTSM-LLVKDONJSA-N 1 3 216.394 1.799 20 0 BDADHO Cc1csc(CNCC2CC[NH2+]CC2)n1 ZINC000049539095 344651739 /nfs/dbraw/zinc/65/17/39/344651739.db2.gz QUDRAVULAVQBMF-UHFFFAOYSA-N 1 3 225.361 1.541 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000234768064 537872952 /nfs/dbraw/zinc/87/29/52/537872952.db2.gz ZKHYSUYSCUDEHC-QWHCGFSZSA-N 1 3 244.379 1.112 20 0 BDADHO OC1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000155799439 345104308 /nfs/dbraw/zinc/10/43/08/345104308.db2.gz YKQGSUPOBNAGAZ-YIFLHPOLSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000155799439 345104310 /nfs/dbraw/zinc/10/43/10/345104310.db2.gz YKQGSUPOBNAGAZ-YIFLHPOLSA-N 1 3 238.375 1.506 20 0 BDADHO OC1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000155799439 345104311 /nfs/dbraw/zinc/10/43/11/345104311.db2.gz YKQGSUPOBNAGAZ-YIFLHPOLSA-N 1 3 238.375 1.506 20 0 BDADHO CCN1CCCC[C@@H]1CNCC12CC(C1)C[NH2+]2 ZINC000634995911 345185747 /nfs/dbraw/zinc/18/57/47/345185747.db2.gz SMXHQABHEQIPQC-ROKHWSDSSA-N 1 3 237.391 1.202 20 0 BDADHO CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)COC1 ZINC000156152576 345132834 /nfs/dbraw/zinc/13/28/34/345132834.db2.gz VRVOXQQZVTXNRN-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO CC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)COC1 ZINC000156152576 345132837 /nfs/dbraw/zinc/13/28/37/345132837.db2.gz VRVOXQQZVTXNRN-VXGBXAGGSA-N 1 3 224.348 1.239 20 0 BDADHO C([NH2+][C@]12C[C@H]1CCCC2)C12CC(C1)CN2 ZINC000635001315 345197028 /nfs/dbraw/zinc/19/70/28/345197028.db2.gz OAODLIJIAKIPIT-POOIEITISA-N 1 3 206.333 1.661 20 0 BDADHO CC(C)(F)C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000635002963 345205345 /nfs/dbraw/zinc/20/53/45/345205345.db2.gz CLAVCRIJHBFHRG-NXEZZACHSA-N 1 3 202.317 1.984 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000635004525 345207599 /nfs/dbraw/zinc/20/75/99/345207599.db2.gz IQOKZTVMCKJFSC-LADJIXMOSA-N 1 3 200.326 1.268 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CCCO1 ZINC000635011251 345212686 /nfs/dbraw/zinc/21/26/86/345212686.db2.gz MXFICXDIPYOPJU-XQQFMLRXSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@@H]1CCCO1 ZINC000635011251 345212687 /nfs/dbraw/zinc/21/26/87/345212687.db2.gz MXFICXDIPYOPJU-XQQFMLRXSA-N 1 3 240.391 1.922 20 0 BDADHO c1cc(C[NH2+]C2CCOCC2)c2c(c1)CNCC2 ZINC000635013258 345217707 /nfs/dbraw/zinc/21/77/07/345217707.db2.gz ZPRRSHFZENQNEL-UHFFFAOYSA-N 1 3 246.354 1.601 20 0 BDADHO COCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134903590 345425427 /nfs/dbraw/zinc/42/54/27/345425427.db2.gz JCXTUSMOVQFHGD-TZMCWYRMSA-N 1 3 238.375 1.582 20 0 BDADHO COCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134903590 345425430 /nfs/dbraw/zinc/42/54/30/345425430.db2.gz JCXTUSMOVQFHGD-TZMCWYRMSA-N 1 3 238.375 1.582 20 0 BDADHO C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000088728188 345544790 /nfs/dbraw/zinc/54/47/90/345544790.db2.gz BVPZRXMSXOFEBP-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159904190 345628241 /nfs/dbraw/zinc/62/82/41/345628241.db2.gz GJKWZWNUHFLVLG-MGPQQGTHSA-N 1 3 240.391 1.610 20 0 BDADHO CC(C)[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159904190 345628243 /nfs/dbraw/zinc/62/82/43/345628243.db2.gz GJKWZWNUHFLVLG-MGPQQGTHSA-N 1 3 240.391 1.610 20 0 BDADHO C[NH+](C)CCCCNCc1ccncc1F ZINC000390258009 259384236 /nfs/dbraw/zinc/38/42/36/259384236.db2.gz NSHDHDAPOVIZBW-UHFFFAOYSA-N 1 3 225.311 1.652 20 0 BDADHO C[NH+]1CCC(CCNCc2ccncc2N)CC1 ZINC000641718472 362634349 /nfs/dbraw/zinc/63/43/49/362634349.db2.gz YLJXEJANCAAGQF-UHFFFAOYSA-N 1 3 248.374 1.485 20 0 BDADHO CC(C)OCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397392267 323108113 /nfs/dbraw/zinc/10/81/13/323108113.db2.gz NZGPOMKLSBCKGI-UPJWGTAASA-N 1 3 228.380 1.717 20 0 BDADHO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000641802124 362757912 /nfs/dbraw/zinc/75/79/12/362757912.db2.gz XVRWGXVGLIGLOX-VXGBXAGGSA-N 1 3 238.375 1.770 20 0 BDADHO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000641802124 362757918 /nfs/dbraw/zinc/75/79/18/362757918.db2.gz XVRWGXVGLIGLOX-VXGBXAGGSA-N 1 3 238.375 1.770 20 0 BDADHO CN1CCCC[C@H](C[NH2+][C@H]2CCSC2)C1 ZINC000624119506 346650828 /nfs/dbraw/zinc/65/08/28/346650828.db2.gz DGBPMEPGIJMCHB-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO CC[NH+]1CCC(NCCOC(F)(F)F)CC1 ZINC000309669542 347132658 /nfs/dbraw/zinc/13/26/58/347132658.db2.gz VMJMISJAJROJQH-UHFFFAOYSA-N 1 3 240.269 1.597 20 0 BDADHO CCOCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000388382074 347375640 /nfs/dbraw/zinc/37/56/40/347375640.db2.gz RQMPSXVDXBJIFX-CHWSQXEVSA-N 1 3 228.380 1.910 20 0 BDADHO COC[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000053196490 347438454 /nfs/dbraw/zinc/43/84/54/347438454.db2.gz DKVITQHNNNYLDK-RYUDHWBXSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000053196490 347438455 /nfs/dbraw/zinc/43/84/55/347438455.db2.gz DKVITQHNNNYLDK-RYUDHWBXSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000053196490 347438457 /nfs/dbraw/zinc/43/84/57/347438457.db2.gz DKVITQHNNNYLDK-RYUDHWBXSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2CN)O1 ZINC000149750971 347509978 /nfs/dbraw/zinc/50/99/78/347509978.db2.gz JUBNNJOMWWZCGI-UTUOFQBUSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCCC[C@@H]2CN)O1 ZINC000149750971 347509981 /nfs/dbraw/zinc/50/99/81/347509981.db2.gz JUBNNJOMWWZCGI-UTUOFQBUSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2CN)O1 ZINC000149750573 347510139 /nfs/dbraw/zinc/51/01/39/347510139.db2.gz JUBNNJOMWWZCGI-IJLUTSLNSA-N 1 3 212.337 1.367 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CCCC[C@@H]2CN)O1 ZINC000149750573 347510141 /nfs/dbraw/zinc/51/01/41/347510141.db2.gz JUBNNJOMWWZCGI-IJLUTSLNSA-N 1 3 212.337 1.367 20 0 BDADHO CC[C@H](NC[C@@H](C)[NH3+])C1(C(=O)OC)CCC1 ZINC000591581388 347678835 /nfs/dbraw/zinc/67/88/35/347678835.db2.gz SZDJRNLPUGLBCE-ZJUUUORDSA-N 1 3 228.336 1.045 20 0 BDADHO C[C@@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000591886187 347711530 /nfs/dbraw/zinc/71/15/30/347711530.db2.gz SRQQUIUNNKFWPI-CYBMUJFWSA-N 1 3 248.370 1.621 20 0 BDADHO C[C@H]1C[C@H]([NH3+])CCN1CCCCCF ZINC000308458245 347669740 /nfs/dbraw/zinc/66/97/40/347669740.db2.gz FMBDFVUGSULKIB-WDEREUQCSA-N 1 3 202.317 1.938 20 0 BDADHO C[N@H+](C[C@@H]1CCCNC1)C[C@@H]1CCCOC1 ZINC000082544739 347795675 /nfs/dbraw/zinc/79/56/75/347795675.db2.gz JBSFWFKUWFUXIL-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[N@@H+](C[C@@H]1CCCNC1)C[C@@H]1CCCOC1 ZINC000082544739 347795676 /nfs/dbraw/zinc/79/56/76/347795676.db2.gz JBSFWFKUWFUXIL-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082544739 347795677 /nfs/dbraw/zinc/79/56/77/347795677.db2.gz JBSFWFKUWFUXIL-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO CN(CC1CCOCC1)C[C@@]1(C)CC[NH2+]C1 ZINC000082546003 347800638 /nfs/dbraw/zinc/80/06/38/347800638.db2.gz WPEDRHGQTYYNDK-ZDUSSCGKSA-N 1 3 226.364 1.344 20 0 BDADHO [NH3+]CCCCC(=O)NCCN1CCCCCC1 ZINC000070203110 349977303 /nfs/dbraw/zinc/97/73/03/349977303.db2.gz WHQJTXCPEHUWLP-UHFFFAOYSA-N 1 3 241.379 1.108 20 0 BDADHO CCOC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000593729074 347937854 /nfs/dbraw/zinc/93/78/54/347937854.db2.gz FFQDETIWYQRYGR-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO CCOC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000593729074 347937856 /nfs/dbraw/zinc/93/78/56/347937856.db2.gz FFQDETIWYQRYGR-RYUDHWBXSA-N 1 3 242.363 1.389 20 0 BDADHO C(COC1CCCCC1)[NH2+]C1CCNCC1 ZINC000082627288 348188922 /nfs/dbraw/zinc/18/89/22/348188922.db2.gz NNULZIWAEDQOLE-UHFFFAOYSA-N 1 3 226.364 1.677 20 0 BDADHO C[C@@H]1C[C@@H](NCCC[NH+](C)C)[C@H](C)O1 ZINC000395014598 323185196 /nfs/dbraw/zinc/18/51/96/323185196.db2.gz NBFXKBCXZGOVLG-OUAUKWLOSA-N 1 3 200.326 1.094 20 0 BDADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497131 362921071 /nfs/dbraw/zinc/92/10/71/362921071.db2.gz YEHJCAWXROBTPW-TUAOUCFPSA-N 1 3 240.391 1.608 20 0 BDADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@H](O)C2(C)C)CC1(C)C ZINC000623497131 362921077 /nfs/dbraw/zinc/92/10/77/362921077.db2.gz YEHJCAWXROBTPW-TUAOUCFPSA-N 1 3 240.391 1.608 20 0 BDADHO CSCCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598952588 349071539 /nfs/dbraw/zinc/07/15/39/349071539.db2.gz NKWGORCVBFUDGR-SNVBAGLBSA-N 1 3 216.394 1.812 20 0 BDADHO CSCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598952588 349071541 /nfs/dbraw/zinc/07/15/41/349071541.db2.gz NKWGORCVBFUDGR-SNVBAGLBSA-N 1 3 216.394 1.812 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250502143 349173920 /nfs/dbraw/zinc/17/39/20/349173920.db2.gz LTIRHYOKNSVPJE-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000070656683 350039869 /nfs/dbraw/zinc/03/98/69/350039869.db2.gz WQNKMXCKBMGFDT-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@H](COC)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000070656683 350039872 /nfs/dbraw/zinc/03/98/72/350039872.db2.gz WQNKMXCKBMGFDT-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO CC[C@H](COC)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000070656683 350039875 /nfs/dbraw/zinc/03/98/75/350039875.db2.gz WQNKMXCKBMGFDT-QWHCGFSZSA-N 1 3 228.380 1.731 20 0 BDADHO C([C@@H]1CCCNC1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000133344109 191040270 /nfs/dbraw/zinc/04/02/70/191040270.db2.gz WITPJCBORFEEBZ-UPJWGTAASA-N 1 3 208.349 1.718 20 0 BDADHO C([C@@H]1CCCNC1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000133344109 191040273 /nfs/dbraw/zinc/04/02/73/191040273.db2.gz WITPJCBORFEEBZ-UPJWGTAASA-N 1 3 208.349 1.718 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427128212 191054106 /nfs/dbraw/zinc/05/41/06/191054106.db2.gz KACBPKBLXWCOPV-NWDGAFQWSA-N 1 3 226.364 1.343 20 0 BDADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427312643 191058371 /nfs/dbraw/zinc/05/83/71/191058371.db2.gz HGINXKRJLBWJHS-JOYOIKCWSA-N 1 3 235.331 1.457 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000427312642 191058445 /nfs/dbraw/zinc/05/84/45/191058445.db2.gz HGINXKRJLBWJHS-BXKDBHETSA-N 1 3 235.331 1.457 20 0 BDADHO CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422746798 192451545 /nfs/dbraw/zinc/45/15/45/192451545.db2.gz OHEBRSFNKYRBIC-SDDRHHMPSA-N 1 3 214.353 1.519 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357089565 180239057 /nfs/dbraw/zinc/23/90/57/180239057.db2.gz QDYRXJSOPPUTPU-KBPBESRZSA-N 1 3 248.374 1.123 20 0 BDADHO Cc1nccn1CC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000336711619 180251888 /nfs/dbraw/zinc/25/18/88/180251888.db2.gz RLCSBNKPYSGEJK-ZDUSSCGKSA-N 1 3 236.363 1.218 20 0 BDADHO Cc1nccn1CC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000336711619 180251889 /nfs/dbraw/zinc/25/18/89/180251889.db2.gz RLCSBNKPYSGEJK-ZDUSSCGKSA-N 1 3 236.363 1.218 20 0 BDADHO C[NH+]1CCC(NCCC(F)(F)F)CC1 ZINC000059313341 350493372 /nfs/dbraw/zinc/49/33/72/350493372.db2.gz JHKZEGHAEHVKFC-UHFFFAOYSA-N 1 3 210.243 1.623 20 0 BDADHO CC[C@H]1CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000219320859 490566552 /nfs/dbraw/zinc/56/65/52/490566552.db2.gz MLWVUWFUXFAWJL-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@@H](NCCCC[NH+](C)C)c1cnccn1 ZINC000070025706 350496055 /nfs/dbraw/zinc/49/60/55/350496055.db2.gz UMNILMINJXNNTR-LLVKDONJSA-N 1 3 222.336 1.469 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000384745662 350501337 /nfs/dbraw/zinc/50/13/37/350501337.db2.gz LZXXYXASPGNHHV-OOCWMUITSA-N 1 3 212.337 1.140 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC[C@H]2C)[C@@H](C)O1 ZINC000384745662 350501342 /nfs/dbraw/zinc/50/13/42/350501342.db2.gz LZXXYXASPGNHHV-OOCWMUITSA-N 1 3 212.337 1.140 20 0 BDADHO C[N@@H+]1CC[C@@H](NC[C@@H](O)C2CCC2)CC1(C)C ZINC000623542949 362961231 /nfs/dbraw/zinc/96/12/31/362961231.db2.gz YGFFEUNKXOFSQC-CHWSQXEVSA-N 1 3 240.391 1.610 20 0 BDADHO C[N@H+]1CC[C@@H](NC[C@@H](O)C2CCC2)CC1(C)C ZINC000623542949 362961236 /nfs/dbraw/zinc/96/12/36/362961236.db2.gz YGFFEUNKXOFSQC-CHWSQXEVSA-N 1 3 240.391 1.610 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CC2=CCCOC2)C1 ZINC000337890911 350635971 /nfs/dbraw/zinc/63/59/71/350635971.db2.gz ZUGLSTINCPDWNU-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO CC[N@@H+]1CCC[C@H](CNCC2=CCCOC2)C1 ZINC000337890911 350635973 /nfs/dbraw/zinc/63/59/73/350635973.db2.gz ZUGLSTINCPDWNU-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO CC[N@H+]1CCC[C@H](CNCC2=CCCOC2)C1 ZINC000337890911 350635977 /nfs/dbraw/zinc/63/59/77/350635977.db2.gz ZUGLSTINCPDWNU-CYBMUJFWSA-N 1 3 238.375 1.655 20 0 BDADHO CC[C@@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623553214 362974430 /nfs/dbraw/zinc/97/44/30/362974430.db2.gz KQBFZPSNKGAIAY-WDEREUQCSA-N 1 3 214.353 1.220 20 0 BDADHO CC[C@@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623553214 362974432 /nfs/dbraw/zinc/97/44/32/362974432.db2.gz KQBFZPSNKGAIAY-WDEREUQCSA-N 1 3 214.353 1.220 20 0 BDADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cscn1 ZINC000584338992 351040008 /nfs/dbraw/zinc/04/00/08/351040008.db2.gz ZHQXPQZYCLXUPG-GJYTXDDASA-N 1 3 237.372 1.749 20 0 BDADHO COC[C@@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224221498 259418136 /nfs/dbraw/zinc/41/81/36/259418136.db2.gz HHTNNGLKCPWQDP-UPJWGTAASA-N 1 3 228.380 1.922 20 0 BDADHO C[C@@H]1C[C@@H](C[NH3+])CN1C[C@H]1CCCCO1 ZINC000252093430 363026580 /nfs/dbraw/zinc/02/65/80/363026580.db2.gz HLSTXJOTOCQHAY-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@H]1CCCCO1 ZINC000252093430 363026583 /nfs/dbraw/zinc/02/65/83/363026583.db2.gz HLSTXJOTOCQHAY-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@H]1CCCCO1 ZINC000252093430 363026585 /nfs/dbraw/zinc/02/65/85/363026585.db2.gz HLSTXJOTOCQHAY-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO CNCc1ccccc1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637807412 351644651 /nfs/dbraw/zinc/64/46/51/351644651.db2.gz HIUJSRZNYLFASY-GFCCVEGCSA-N 1 3 245.326 1.392 20 0 BDADHO CC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC000637809705 351646337 /nfs/dbraw/zinc/64/63/37/351646337.db2.gz WPEDIZKCKJFBNJ-UHFFFAOYSA-N 1 3 243.395 1.080 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000252727650 538101025 /nfs/dbraw/zinc/10/10/25/538101025.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000252727650 538101026 /nfs/dbraw/zinc/10/10/26/538101026.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000252727650 538101027 /nfs/dbraw/zinc/10/10/27/538101027.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 1 3 226.364 1.031 20 0 BDADHO C[C@H](CO)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000252727650 538101028 /nfs/dbraw/zinc/10/10/28/538101028.db2.gz LMAWHYNLKLPDIC-XQQFMLRXSA-N 1 3 226.364 1.031 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000637841546 351697649 /nfs/dbraw/zinc/69/76/49/351697649.db2.gz SUPVGYZRNRXXBJ-NSHDSACASA-N 1 3 241.379 1.138 20 0 BDADHO COC(=O)[C@@H]1CC[N@H+](C[C@H](N)CC(C)C)[C@H]1C ZINC000414764594 351700673 /nfs/dbraw/zinc/70/06/73/351700673.db2.gz YQLYWAOIPAFSGU-QJPTWQEYSA-N 1 3 242.363 1.243 20 0 BDADHO COC(=O)[C@@H]1CC[N@@H+](C[C@H](N)CC(C)C)[C@H]1C ZINC000414764594 351700676 /nfs/dbraw/zinc/70/06/76/351700676.db2.gz YQLYWAOIPAFSGU-QJPTWQEYSA-N 1 3 242.363 1.243 20 0 BDADHO CO[C@](C)(C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1)C1CC1 ZINC000638089000 351967603 /nfs/dbraw/zinc/96/76/03/351967603.db2.gz JKXHXRIKTIZRCH-IACUBPJLSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@](C)(C[N@H+]1C[C@@H]2CCCN[C@@H]2C1)C1CC1 ZINC000638089000 351967604 /nfs/dbraw/zinc/96/76/04/351967604.db2.gz JKXHXRIKTIZRCH-IACUBPJLSA-N 1 3 238.375 1.485 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000638131755 352001777 /nfs/dbraw/zinc/00/17/77/352001777.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(CCC[C@@H]2CCO2)C1 ZINC000638131755 352001779 /nfs/dbraw/zinc/00/17/79/352001779.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000638131755 352001780 /nfs/dbraw/zinc/00/17/80/352001780.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000638131755 352001781 /nfs/dbraw/zinc/00/17/81/352001781.db2.gz DRBJMQCOCROVAD-ZIAGYGMSSA-N 1 3 240.391 1.829 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638244700 352092402 /nfs/dbraw/zinc/09/24/02/352092402.db2.gz YCEBLNSSLFHNHW-RYUDHWBXSA-N 1 3 243.395 1.384 20 0 BDADHO CC(C)CC[C@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000638250898 352094488 /nfs/dbraw/zinc/09/44/88/352094488.db2.gz KVWZAXIRIGAYBW-NSHDSACASA-N 1 3 243.395 1.384 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)CN(C)CC(C)(C)C ZINC000638368353 352179337 /nfs/dbraw/zinc/17/93/37/352179337.db2.gz JKHZMEBOGVEXQR-WDEREUQCSA-N 1 3 243.395 1.206 20 0 BDADHO CCN[C@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000638382910 352192180 /nfs/dbraw/zinc/19/21/80/352192180.db2.gz YARKDPUVQTVAQJ-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO CCN[C@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000638382910 352192182 /nfs/dbraw/zinc/19/21/82/352192182.db2.gz YARKDPUVQTVAQJ-GFCCVEGCSA-N 1 3 243.395 1.079 20 0 BDADHO CCOC1CC(C[NH2+]C[C@@H]2CCN(CC)C2)C1 ZINC000638381951 352193801 /nfs/dbraw/zinc/19/38/01/352193801.db2.gz RDKFPOZPNKTARD-HSBZDZAISA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000638396224 352203073 /nfs/dbraw/zinc/20/30/73/352203073.db2.gz JEJDSWWIDASWKN-TUAOUCFPSA-N 1 3 241.379 1.088 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCC2(O)CCC2)C1 ZINC000411115904 191160423 /nfs/dbraw/zinc/16/04/23/191160423.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCC2(O)CCC2)C1 ZINC000411115904 191160425 /nfs/dbraw/zinc/16/04/25/191160425.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCC2(O)CCC2)C1 ZINC000411115904 191160428 /nfs/dbraw/zinc/16/04/28/191160428.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000411115904 191160431 /nfs/dbraw/zinc/16/04/31/191160431.db2.gz JFTZSLIHYKPYPK-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCCCO1 ZINC000252157887 363181477 /nfs/dbraw/zinc/18/14/77/363181477.db2.gz PKPAUSDVZPNXOB-GRYCIOLGSA-N 1 3 212.337 1.367 20 0 BDADHO CCCC[C@H](COC)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947270 352370678 /nfs/dbraw/zinc/37/06/78/352370678.db2.gz KOHOEHRTUUUUGX-JHJVBQTASA-N 1 3 228.380 1.922 20 0 BDADHO CCCC[C@H](COC)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414947270 352370679 /nfs/dbraw/zinc/37/06/79/352370679.db2.gz KOHOEHRTUUUUGX-JHJVBQTASA-N 1 3 228.380 1.922 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000638523005 352357208 /nfs/dbraw/zinc/35/72/08/352357208.db2.gz YURKGXAVOJXXGV-YPMHNXCESA-N 1 3 249.358 1.130 20 0 BDADHO CCN(CC[NH3+])C(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000638523002 352357429 /nfs/dbraw/zinc/35/74/29/352357429.db2.gz YURKGXAVOJXXGV-AAEUAGOBSA-N 1 3 249.358 1.130 20 0 BDADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CCC(C)C ZINC000638577023 352407662 /nfs/dbraw/zinc/40/76/62/352407662.db2.gz VOXNFMBFWBDBEX-GRYCIOLGSA-N 1 3 241.379 1.007 20 0 BDADHO C(C1CC[NH2+]CC1)N1CCO[C@@H]2CCC[C@H]21 ZINC000043427976 352637378 /nfs/dbraw/zinc/63/73/78/352637378.db2.gz NSKJYGFQPCMRSK-CHWSQXEVSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)[C@@H]1CCOC1 ZINC000336746153 352736779 /nfs/dbraw/zinc/73/67/79/352736779.db2.gz RBZLZAAZDBDVEM-YNEHKIRRSA-N 1 3 226.364 1.485 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412097247 191259928 /nfs/dbraw/zinc/25/99/28/191259928.db2.gz UZBQVCLYHVVSKF-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412097247 191259930 /nfs/dbraw/zinc/25/99/30/191259930.db2.gz UZBQVCLYHVVSKF-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000422816313 192477849 /nfs/dbraw/zinc/47/78/49/192477849.db2.gz ZLQZQZPMFRMQSN-XBFCOCLRSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCN1)C1CCOCC1 ZINC000422816313 192477851 /nfs/dbraw/zinc/47/78/51/192477851.db2.gz ZLQZQZPMFRMQSN-XBFCOCLRSA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C(C)(C)C ZINC000336759168 353168714 /nfs/dbraw/zinc/16/87/14/353168714.db2.gz ZYVSMKIMLNYMHZ-NSHDSACASA-N 1 3 228.380 1.467 20 0 BDADHO CCN1CCC(N(C)C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000070314966 353258774 /nfs/dbraw/zinc/25/87/74/353258774.db2.gz WVIQOCMMPGTECD-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@H](CCCO)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000227538413 363239750 /nfs/dbraw/zinc/23/97/50/363239750.db2.gz WEALGBUWPDUOEY-GMTAPVOTSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)COCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000232661136 353752627 /nfs/dbraw/zinc/75/26/27/353752627.db2.gz KYZHLJMLJQLVOZ-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)(N)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000334569556 354095094 /nfs/dbraw/zinc/09/50/94/354095094.db2.gz RGKALCXCECDJDX-UHFFFAOYSA-N 1 3 240.391 1.862 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+]C1CCNCC1 ZINC000230497884 363312591 /nfs/dbraw/zinc/31/25/91/363312591.db2.gz IMGKUXCEEGBIQU-GFCCVEGCSA-N 1 3 214.353 1.125 20 0 BDADHO CCC(CC)[C@H](O)CNC1CC[NH2+]CC1 ZINC000230497884 363312593 /nfs/dbraw/zinc/31/25/93/363312593.db2.gz IMGKUXCEEGBIQU-GFCCVEGCSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@@H]1C[C@H](CN2CCC([NH3+])CC2)CCO1 ZINC000334688985 354477500 /nfs/dbraw/zinc/47/75/00/354477500.db2.gz OEQXEXVNPYHGAV-DGCLKSJQSA-N 1 3 226.364 1.615 20 0 BDADHO CC(C)OCCN1CC[C@@](C)(C[NH3+])C1 ZINC000232701954 363379955 /nfs/dbraw/zinc/37/99/55/363379955.db2.gz RZCAMRWRKDHEBW-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)OCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000232701954 363379957 /nfs/dbraw/zinc/37/99/57/363379957.db2.gz RZCAMRWRKDHEBW-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)OCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000232701954 363379959 /nfs/dbraw/zinc/37/99/59/363379959.db2.gz RZCAMRWRKDHEBW-NSHDSACASA-N 1 3 200.326 1.082 20 0 BDADHO CC(C)[N@H+](C[C@H](C)O)C[C@H]1CCCNC1 ZINC000232754686 363382309 /nfs/dbraw/zinc/38/23/09/363382309.db2.gz ZEILZACDJMXSQA-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)[N@@H+](C[C@H](C)O)C[C@H]1CCCNC1 ZINC000232754686 363382313 /nfs/dbraw/zinc/38/23/13/363382313.db2.gz ZEILZACDJMXSQA-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO CC(C)N(C[C@H](C)O)C[C@H]1CCC[NH2+]C1 ZINC000232754686 363382317 /nfs/dbraw/zinc/38/23/17/363382317.db2.gz ZEILZACDJMXSQA-RYUDHWBXSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@H](CNC[C@H]1C[NH2+]C[C@@H]1O)Cc1ccccc1 ZINC000346005437 354837776 /nfs/dbraw/zinc/83/77/76/354837776.db2.gz GHZFTUQTETXHQV-QEJZJMRPSA-N 1 3 248.370 1.035 20 0 BDADHO CCOCCCN1CC[C@@H]([NH2+]CCF)[C@@H](C)C1 ZINC000346557826 354967620 /nfs/dbraw/zinc/96/76/20/354967620.db2.gz ITCLIZNYFYLSBD-QWHCGFSZSA-N 1 3 246.370 1.683 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000530220019 324537871 /nfs/dbraw/zinc/53/78/71/324537871.db2.gz AYDQNHJYUZHNFU-URIQBSJHSA-N 1 3 214.353 1.514 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346847440 355136448 /nfs/dbraw/zinc/13/64/48/355136448.db2.gz MMYREKXQFBMBMX-UBHSHLNASA-N 1 3 248.374 1.586 20 0 BDADHO Cc1n[nH]c(C)c1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346847435 355136891 /nfs/dbraw/zinc/13/68/91/355136891.db2.gz MMYREKXQFBMBMX-FPMFFAJLSA-N 1 3 248.374 1.586 20 0 BDADHO CCCCCN(CCO)C[C@@H]1CCC[NH2+]C1 ZINC000346848985 355137640 /nfs/dbraw/zinc/13/76/40/355137640.db2.gz GBQHZTHWUJQTDK-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO CCCCC[N@H+](CCO)C[C@@H]1CCCNC1 ZINC000346848985 355137644 /nfs/dbraw/zinc/13/76/44/355137644.db2.gz GBQHZTHWUJQTDK-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO CCCCC[N@@H+](CCO)C[C@@H]1CCCNC1 ZINC000346848985 355137648 /nfs/dbraw/zinc/13/76/48/355137648.db2.gz GBQHZTHWUJQTDK-CYBMUJFWSA-N 1 3 228.380 1.471 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000335290585 355264588 /nfs/dbraw/zinc/26/45/88/355264588.db2.gz GMHFMQMHMJZKGC-JTQLQIEISA-N 1 3 247.342 1.916 20 0 BDADHO C[C@@H]([NH3+])c1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000335290586 355264627 /nfs/dbraw/zinc/26/46/27/355264627.db2.gz GMHFMQMHMJZKGC-SNVBAGLBSA-N 1 3 247.342 1.916 20 0 BDADHO COc1ccc(OCC[NH2+]CC(C)(C)N)cc1 ZINC000415086502 191675274 /nfs/dbraw/zinc/67/52/74/191675274.db2.gz JSHFGFVQGMHXMF-UHFFFAOYSA-N 1 3 238.331 1.401 20 0 BDADHO COc1cccc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000216035385 355798628 /nfs/dbraw/zinc/79/86/28/355798628.db2.gz SQDDZDPJYZROHE-DGCLKSJQSA-N 1 3 234.343 1.864 20 0 BDADHO CC(C)(O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000389197675 355839479 /nfs/dbraw/zinc/83/94/79/355839479.db2.gz BMSUVYBKPRHEPB-UWVGGRQHSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)(O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000389197675 355839482 /nfs/dbraw/zinc/83/94/82/355839482.db2.gz BMSUVYBKPRHEPB-UWVGGRQHSA-N 1 3 200.326 1.007 20 0 BDADHO CC(C)(O)CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261547612 535292905 /nfs/dbraw/zinc/29/29/05/535292905.db2.gz IGBCSPZRKBMWGM-YNEHKIRRSA-N 1 3 240.391 1.658 20 0 BDADHO C1C[C@H]2C[C@H](N[C@H]3CCCOC3)CC[N@@H+]2C1 ZINC000381178091 355934950 /nfs/dbraw/zinc/93/49/50/355934950.db2.gz VPEYVKXRBBRSTR-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO C1C[C@H]2C[C@H](N[C@H]3CCCOC3)CC[N@H+]2C1 ZINC000381178091 355934958 /nfs/dbraw/zinc/93/49/58/355934958.db2.gz VPEYVKXRBBRSTR-AGIUHOORSA-N 1 3 224.348 1.382 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H](C[NH3+])C1 ZINC000420299777 192206905 /nfs/dbraw/zinc/20/69/05/192206905.db2.gz UKFXFTNPMFTOQU-NSHDSACASA-N 1 3 228.336 1.000 20 0 BDADHO CCOC(=O)CCCC[N@@H+]1CC[C@@H](CN)C1 ZINC000420299777 192206908 /nfs/dbraw/zinc/20/69/08/192206908.db2.gz UKFXFTNPMFTOQU-NSHDSACASA-N 1 3 228.336 1.000 20 0 BDADHO CCOC(=O)CCCC[N@H+]1CC[C@@H](CN)C1 ZINC000420299777 192206915 /nfs/dbraw/zinc/20/69/15/192206915.db2.gz UKFXFTNPMFTOQU-NSHDSACASA-N 1 3 228.336 1.000 20 0 BDADHO COc1ccccc1CCCN1CC[C@@H](C[NH3+])C1 ZINC000420287969 192200854 /nfs/dbraw/zinc/20/08/54/192200854.db2.gz GUOBEFYFRBLWKG-ZDUSSCGKSA-N 1 3 248.370 1.908 20 0 BDADHO Nc1cc(CN2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000420315982 192213051 /nfs/dbraw/zinc/21/30/51/192213051.db2.gz SLOSGRWSZBTSPN-LLVKDONJSA-N 1 3 234.347 1.055 20 0 BDADHO Cc1nccn1CCCN(C)C1(C[NH3+])CCC1 ZINC000420330570 192213748 /nfs/dbraw/zinc/21/37/48/192213748.db2.gz QEHNNTZTYIAFDD-UHFFFAOYSA-N 1 3 236.363 1.395 20 0 BDADHO C[C@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@@H+]1C ZINC000639509744 356339194 /nfs/dbraw/zinc/33/91/94/356339194.db2.gz LBXPBQYWMHPDNG-WCQYABFASA-N 1 3 249.358 1.702 20 0 BDADHO C[C@H]1C[C@H](N(C)Cc2cc[nH]c(=O)c2)CC[N@H+]1C ZINC000639509744 356339198 /nfs/dbraw/zinc/33/91/98/356339198.db2.gz LBXPBQYWMHPDNG-WCQYABFASA-N 1 3 249.358 1.702 20 0 BDADHO Cc1ccccc1CCCN(C)C[C@@H](O)C[NH3+] ZINC000420349603 192218327 /nfs/dbraw/zinc/21/83/27/192218327.db2.gz DHWKVIJJPSERBJ-AWEZNQCLSA-N 1 3 236.359 1.179 20 0 BDADHO Cc1ccccc1CCC[N@@H+](C)C[C@@H](O)CN ZINC000420349603 192218330 /nfs/dbraw/zinc/21/83/30/192218330.db2.gz DHWKVIJJPSERBJ-AWEZNQCLSA-N 1 3 236.359 1.179 20 0 BDADHO Cc1ccccc1CCC[N@H+](C)C[C@@H](O)CN ZINC000420349603 192218331 /nfs/dbraw/zinc/21/83/31/192218331.db2.gz DHWKVIJJPSERBJ-AWEZNQCLSA-N 1 3 236.359 1.179 20 0 BDADHO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCN)C1 ZINC000420303957 192207645 /nfs/dbraw/zinc/20/76/45/192207645.db2.gz OBIHMFYHNOWPRJ-AAEUAGOBSA-N 1 3 228.380 1.502 20 0 BDADHO CCN(CCCF)[C@@H]1CCC[NH2+]CC1 ZINC000420306437 192208671 /nfs/dbraw/zinc/20/86/71/192208671.db2.gz HLMOXKJSMCBRJP-LLVKDONJSA-N 1 3 202.317 1.810 20 0 BDADHO CC[N@H+](CCCF)[C@@H]1CCCNCC1 ZINC000420306437 192208673 /nfs/dbraw/zinc/20/86/73/192208673.db2.gz HLMOXKJSMCBRJP-LLVKDONJSA-N 1 3 202.317 1.810 20 0 BDADHO CC[N@@H+](CCCF)[C@@H]1CCCNCC1 ZINC000420306437 192208675 /nfs/dbraw/zinc/20/86/75/192208675.db2.gz HLMOXKJSMCBRJP-LLVKDONJSA-N 1 3 202.317 1.810 20 0 BDADHO CCOC(=O)CCCCN1CC[C@@H](C[NH2+]C)C1 ZINC000420305726 192209515 /nfs/dbraw/zinc/20/95/15/192209515.db2.gz ZEXNNTJCIXGLKW-LBPRGKRZSA-N 1 3 242.363 1.261 20 0 BDADHO C(CN1CCOC[C@@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000420370269 192227578 /nfs/dbraw/zinc/22/75/78/192227578.db2.gz YVVOSYSSFMQHAY-DGCLKSJQSA-N 1 3 224.348 1.097 20 0 BDADHO CC(C)COCCN[C@@](C)(C[NH3+])C(C)C ZINC000420322276 192228591 /nfs/dbraw/zinc/22/85/91/192228591.db2.gz SIFRMTIAPGVUDA-LBPRGKRZSA-N 1 3 216.369 1.622 20 0 BDADHO CCC[N@H+](Cc1ccnc(N)c1)C1CCNCC1 ZINC000420328272 192228793 /nfs/dbraw/zinc/22/87/93/192228793.db2.gz ZUSZGCQLFOZQLV-UHFFFAOYSA-N 1 3 248.374 1.458 20 0 BDADHO CCC[N@@H+](Cc1ccnc(N)c1)C1CCNCC1 ZINC000420328272 192228794 /nfs/dbraw/zinc/22/87/94/192228794.db2.gz ZUSZGCQLFOZQLV-UHFFFAOYSA-N 1 3 248.374 1.458 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H](CN)C(C)(C)C ZINC000420354893 192220211 /nfs/dbraw/zinc/22/02/11/192220211.db2.gz DHEYYXYDPCEAOK-GFCCVEGCSA-N 1 3 238.379 1.545 20 0 BDADHO [NH3+]C[C@@H](NCCn1cccn1)C1CCCCC1 ZINC000420365859 192224084 /nfs/dbraw/zinc/22/40/84/192224084.db2.gz LTOFDVTZWZWBAY-CYBMUJFWSA-N 1 3 236.363 1.380 20 0 BDADHO Cc1nccn1CCC[N@H+]1C[C@@H](C)NC[C@@H]1C ZINC000420394432 192237064 /nfs/dbraw/zinc/23/70/64/192237064.db2.gz KOMCDNUYDVKKQO-NEPJUHHUSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1C[C@@H](C)NC[C@@H]1C ZINC000420394432 192237065 /nfs/dbraw/zinc/23/70/65/192237065.db2.gz KOMCDNUYDVKKQO-NEPJUHHUSA-N 1 3 236.363 1.264 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C[C@@H]1CN ZINC000420411538 192239108 /nfs/dbraw/zinc/23/91/08/192239108.db2.gz RVFANXZISXYXND-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1CN ZINC000420411538 192239110 /nfs/dbraw/zinc/23/91/10/192239110.db2.gz RVFANXZISXYXND-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO C[C@@H]1CCN(CC[C@H]2CCCCO2)C[C@@H]1C[NH3+] ZINC000420411538 192239112 /nfs/dbraw/zinc/23/91/12/192239112.db2.gz RVFANXZISXYXND-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO c1c[nH]c([C@@H]2CCCN2CC[C@H]2CC[NH2+]C2)n1 ZINC000420376705 192231263 /nfs/dbraw/zinc/23/12/63/192231263.db2.gz QZEZZNFWDSGFKE-NEPJUHHUSA-N 1 3 234.347 1.546 20 0 BDADHO C[C@H](CO)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639704328 356610859 /nfs/dbraw/zinc/61/08/59/356610859.db2.gz QQLZEWFWIFBUSB-ZDUSSCGKSA-N 1 3 249.358 1.222 20 0 BDADHO C[C@H](CO)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639704328 356610863 /nfs/dbraw/zinc/61/08/63/356610863.db2.gz QQLZEWFWIFBUSB-ZDUSSCGKSA-N 1 3 249.358 1.222 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422975463 192533955 /nfs/dbraw/zinc/53/39/55/192533955.db2.gz GUPLPVVXPSDNHT-NNYUYHANSA-N 1 3 246.420 1.077 20 0 BDADHO COC[C@H](N[C@@H](C)CCC[NH3+])c1ccc(C)o1 ZINC000423005887 192534882 /nfs/dbraw/zinc/53/48/82/192534882.db2.gz NLXKHBJQFBZIOP-JQWIXIFHSA-N 1 3 240.347 1.993 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000423067752 192557243 /nfs/dbraw/zinc/55/72/43/192557243.db2.gz IHVLLOKAJCENAN-AXFHLTTASA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051717 192552727 /nfs/dbraw/zinc/55/27/27/192552727.db2.gz OEBRJGXECZBKHZ-CHWSQXEVSA-N 1 3 240.391 1.517 20 0 BDADHO CC(C)SCCN[C@H](C)C[C@@H](C)[NH3+] ZINC000423104538 192569604 /nfs/dbraw/zinc/56/96/04/192569604.db2.gz HDYQUCHWUFYREU-NXEZZACHSA-N 1 3 204.383 1.843 20 0 BDADHO CCC[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000450402268 202156172 /nfs/dbraw/zinc/15/61/72/202156172.db2.gz KQJNNGFGAXAYCL-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC(C)[C@@H]1C[C@H](C[NH2+][C@H](C)C2CNC2)CCO1 ZINC000423158134 192595450 /nfs/dbraw/zinc/59/54/50/192595450.db2.gz WJTCOUSWYSMCOB-BZPMIXESSA-N 1 3 240.391 1.635 20 0 BDADHO CC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358265393 356865439 /nfs/dbraw/zinc/86/54/39/356865439.db2.gz ZUZLJGGHBAKSTJ-HUUCEWRRSA-N 1 3 248.370 1.794 20 0 BDADHO CC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccccc1 ZINC000358265393 356865441 /nfs/dbraw/zinc/86/54/41/356865441.db2.gz ZUZLJGGHBAKSTJ-HUUCEWRRSA-N 1 3 248.370 1.794 20 0 BDADHO NCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000423179066 192612165 /nfs/dbraw/zinc/61/21/65/192612165.db2.gz CVRNERGYBQTSRH-CQSZACIVSA-N 1 3 218.344 1.946 20 0 BDADHO CN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623377274 356896796 /nfs/dbraw/zinc/89/67/96/356896796.db2.gz SPOMYXMGHMBXEO-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389788444 357032696 /nfs/dbraw/zinc/03/26/96/357032696.db2.gz NSMTXEWTVCRCMK-GZBFAFLISA-N 1 3 247.386 1.444 20 0 BDADHO CCN(CC)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523895 357012079 /nfs/dbraw/zinc/01/20/79/357012079.db2.gz YTBQUDKQJFNFCH-AGUYFDCRSA-N 1 3 239.407 1.543 20 0 BDADHO CCN(CC)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523895 357012084 /nfs/dbraw/zinc/01/20/84/357012084.db2.gz YTBQUDKQJFNFCH-AGUYFDCRSA-N 1 3 239.407 1.543 20 0 BDADHO Cc1nccnc1[C@@H](C)NCC[C@@H]1CCC[NH2+]C1 ZINC000423283974 192677123 /nfs/dbraw/zinc/67/71/23/192677123.db2.gz XVHZPHKGOZLECD-YPMHNXCESA-N 1 3 248.374 1.825 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC000628425598 357252263 /nfs/dbraw/zinc/25/22/63/357252263.db2.gz PWYMOGDTZQRBQG-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CN1CCCC[C@H](C[NH2+]C2CSC2)C1 ZINC000628425464 357252782 /nfs/dbraw/zinc/25/27/82/357252782.db2.gz LTEMAQFBAICVSL-SNVBAGLBSA-N 1 3 214.378 1.423 20 0 BDADHO C(CN1CCN(C2CCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000393188244 357278579 /nfs/dbraw/zinc/27/85/79/357278579.db2.gz QWYAKNREOZYWKB-CYBMUJFWSA-N 1 3 237.391 1.156 20 0 BDADHO C[C@H](O)[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000582541360 357340272 /nfs/dbraw/zinc/34/02/72/357340272.db2.gz AAUVFJIHPRUIQA-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO C[C@H](O)[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000582541360 357340276 /nfs/dbraw/zinc/34/02/76/357340276.db2.gz AAUVFJIHPRUIQA-RYUDHWBXSA-N 1 3 228.380 1.467 20 0 BDADHO C[NH+]1CCC(CNCc2cncc(F)c2)CC1 ZINC000230940256 357582335 /nfs/dbraw/zinc/58/23/35/357582335.db2.gz JMZLEKSSYXNVOM-UHFFFAOYSA-N 1 3 237.322 1.652 20 0 BDADHO C[C@H](CCO)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000397730458 357674088 /nfs/dbraw/zinc/67/40/88/357674088.db2.gz PXHNBLRBZCWBFF-TUAOUCFPSA-N 1 3 214.353 1.255 20 0 BDADHO CC[C@@]1(O)CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000640036879 358136986 /nfs/dbraw/zinc/13/69/86/358136986.db2.gz YOOIRUZQSVECBD-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CC[C@@]1(O)CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000640036879 358136988 /nfs/dbraw/zinc/13/69/88/358136988.db2.gz YOOIRUZQSVECBD-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO COC[C@@H](C)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000226703705 358343513 /nfs/dbraw/zinc/34/35/13/358343513.db2.gz DKVITQHNNNYLDK-VXGBXAGGSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@@H](C)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000226703705 358343516 /nfs/dbraw/zinc/34/35/16/358343516.db2.gz DKVITQHNNNYLDK-VXGBXAGGSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@@H](C)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000226703705 358343519 /nfs/dbraw/zinc/34/35/19/358343519.db2.gz DKVITQHNNNYLDK-VXGBXAGGSA-N 1 3 214.353 1.341 20 0 BDADHO COCCCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227257076 358352400 /nfs/dbraw/zinc/35/24/00/358352400.db2.gz BNMZFLFIBLBRDU-NWDGAFQWSA-N 1 3 214.353 1.615 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228334597 358373811 /nfs/dbraw/zinc/37/38/11/358373811.db2.gz PQNTXFRNHFLKMN-GHMZBOCLSA-N 1 3 241.379 1.151 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000228334597 358373815 /nfs/dbraw/zinc/37/38/15/358373815.db2.gz PQNTXFRNHFLKMN-GHMZBOCLSA-N 1 3 241.379 1.151 20 0 BDADHO CC[NH+]1CCC(CNCc2nccn2C)CC1 ZINC000044518693 358389780 /nfs/dbraw/zinc/38/97/80/358389780.db2.gz RENWWKPTTHSCAX-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO Cc1cc(CNCC2CC[NH2+]CC2)on1 ZINC000045011518 358398552 /nfs/dbraw/zinc/39/85/52/358398552.db2.gz HBKHOQFGTNFUQC-UHFFFAOYSA-N 1 3 209.293 1.072 20 0 BDADHO COCC[C@@H](C)[N@@H+]1CCC[C@H](CN)C1 ZINC000045044554 358400501 /nfs/dbraw/zinc/40/05/01/358400501.db2.gz HKDKBFXDGHKVAP-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[C@@H](C)[N@H+]1CCC[C@H](CN)C1 ZINC000045044554 358400505 /nfs/dbraw/zinc/40/05/05/358400505.db2.gz HKDKBFXDGHKVAP-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO COCC[C@@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000045044554 358400510 /nfs/dbraw/zinc/40/05/10/358400510.db2.gz HKDKBFXDGHKVAP-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO Cc1ccc(CCN2CC[C@H](C[NH3+])C2)cc1 ZINC000211429579 358447792 /nfs/dbraw/zinc/44/77/92/358447792.db2.gz OTQBYCYGCXSYOG-CQSZACIVSA-N 1 3 218.344 1.818 20 0 BDADHO Cc1ccc(CC[N@@H+]2CC[C@H](CN)C2)cc1 ZINC000211429579 358447797 /nfs/dbraw/zinc/44/77/97/358447797.db2.gz OTQBYCYGCXSYOG-CQSZACIVSA-N 1 3 218.344 1.818 20 0 BDADHO Cc1ccc(CC[N@H+]2CC[C@H](CN)C2)cc1 ZINC000211429579 358447802 /nfs/dbraw/zinc/44/78/02/358447802.db2.gz OTQBYCYGCXSYOG-CQSZACIVSA-N 1 3 218.344 1.818 20 0 BDADHO C[C@@H]1CCCC[C@H]1[NH2+]CCOCCN(C)C ZINC000219325181 134281584 /nfs/dbraw/zinc/28/15/84/134281584.db2.gz VLCQGQFNKMBRLC-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO CCCC[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575515 358695224 /nfs/dbraw/zinc/69/52/24/358695224.db2.gz BJCQDSUXOBGTDY-GFCCVEGCSA-N 1 3 241.379 1.106 20 0 BDADHO C[C@@H]1C[C@@H](C)CN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000219853593 134292262 /nfs/dbraw/zinc/29/22/62/134292262.db2.gz VBRYHUGSDUOQLK-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H](CN)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000423387773 192761254 /nfs/dbraw/zinc/76/12/54/192761254.db2.gz IFLAIDANBKGFGH-JOYOIKCWSA-N 1 3 220.316 1.706 20 0 BDADHO CC[C@H]([NH3+])CNC(=O)c1ccccc1CN(C)C ZINC000423684313 192823294 /nfs/dbraw/zinc/82/32/94/192823294.db2.gz RFYBYXDUMCFLOC-LBPRGKRZSA-N 1 3 249.358 1.215 20 0 BDADHO [NH3+]C[C@H]1CCCN(CCCc2ccncc2)C1 ZINC000580445853 359562782 /nfs/dbraw/zinc/56/27/82/359562782.db2.gz IWKUKRZZQHVVMF-CQSZACIVSA-N 1 3 233.359 1.685 20 0 BDADHO COC[C@@]1(CN[C@@H](C(C)C)C2CC2)CCC[NH2+]1 ZINC000578617340 366608545 /nfs/dbraw/zinc/60/85/45/366608545.db2.gz DFYSZQYRVKWXSU-KBPBESRZSA-N 1 3 240.391 1.779 20 0 BDADHO COc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147341 359993182 /nfs/dbraw/zinc/99/31/82/359993182.db2.gz OLFGNJKRKJXQKB-JSGCOSHPSA-N 1 3 234.343 1.912 20 0 BDADHO CC(C)N1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089424646 360020029 /nfs/dbraw/zinc/02/00/29/360020029.db2.gz WIUIKPHUUCAQNV-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)N1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089424646 360020031 /nfs/dbraw/zinc/02/00/31/360020031.db2.gz WIUIKPHUUCAQNV-AWEZNQCLSA-N 1 3 239.407 1.497 20 0 BDADHO CC(C)CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000089749410 360037262 /nfs/dbraw/zinc/03/72/62/360037262.db2.gz UNCGOKCDOYTMDH-CQSZACIVSA-N 1 3 239.407 1.260 20 0 BDADHO COCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000093488499 360250885 /nfs/dbraw/zinc/25/08/85/360250885.db2.gz WJCRKKMTMXPTBX-HZSPNIEDSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629410579 361060176 /nfs/dbraw/zinc/06/01/76/361060176.db2.gz HBWHGHPAIILXEY-KZVDOYCCSA-N 1 3 237.391 1.199 20 0 BDADHO CCO[C@H](C[N@@H+]1CC[C@@H](CN)C1)C1CC1 ZINC000629511913 361106293 /nfs/dbraw/zinc/10/62/93/361106293.db2.gz NJZRRDMHNVEJAS-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@H](C[N@H+]1CC[C@@H](CN)C1)C1CC1 ZINC000629511913 361106296 /nfs/dbraw/zinc/10/62/96/361106296.db2.gz NJZRRDMHNVEJAS-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO CCO[C@H](CN1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000629511913 361106300 /nfs/dbraw/zinc/10/63/00/361106300.db2.gz NJZRRDMHNVEJAS-CMPLNLGQSA-N 1 3 212.337 1.082 20 0 BDADHO CCC[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])OCC ZINC000629515385 361112502 /nfs/dbraw/zinc/11/25/02/361112502.db2.gz QXLLCWNUXCUWPN-GRYCIOLGSA-N 1 3 216.369 1.907 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424368144 200923098 /nfs/dbraw/zinc/92/30/98/200923098.db2.gz AREMZWHLJUZQPC-DIURFFJMSA-N 1 3 224.348 1.127 20 0 BDADHO C[NH2+]CCOCCN[C@@H](C)c1ccsc1 ZINC000629528877 361138124 /nfs/dbraw/zinc/13/81/24/361138124.db2.gz LZFCRPJTDUWDPX-JTQLQIEISA-N 1 3 228.361 1.635 20 0 BDADHO CCSCC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000158562563 361203721 /nfs/dbraw/zinc/20/37/21/361203721.db2.gz XGXNPNJTYKMUJU-GHMZBOCLSA-N 1 3 216.394 1.941 20 0 BDADHO CCSCC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000158562563 361203725 /nfs/dbraw/zinc/20/37/25/361203725.db2.gz XGXNPNJTYKMUJU-GHMZBOCLSA-N 1 3 216.394 1.941 20 0 BDADHO COCCCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000158708337 361210189 /nfs/dbraw/zinc/21/01/89/361210189.db2.gz YMLZEYJKBHTYDD-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO COCCCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000158708337 361210192 /nfs/dbraw/zinc/21/01/92/361210192.db2.gz YMLZEYJKBHTYDD-MNOVXSKESA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000622044039 370673367 /nfs/dbraw/zinc/67/33/67/370673367.db2.gz SEMBPWLOZQAZTG-XHNCKOQMSA-N 1 3 206.280 1.747 20 0 BDADHO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CNC1 ZINC000622043947 370676017 /nfs/dbraw/zinc/67/60/17/370676017.db2.gz PZKQEVWOYJKVJA-VXNVDRBHSA-N 1 3 204.264 1.229 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739541 361387160 /nfs/dbraw/zinc/38/71/60/361387160.db2.gz ZREMEQCTKKJMGV-CHWSQXEVSA-N 1 3 224.348 1.440 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCC1=CCCOC1 ZINC000379739541 361387161 /nfs/dbraw/zinc/38/71/61/361387161.db2.gz ZREMEQCTKKJMGV-CHWSQXEVSA-N 1 3 224.348 1.440 20 0 BDADHO CC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)N(CC)CC ZINC000429166720 201076620 /nfs/dbraw/zinc/07/66/20/201076620.db2.gz WZYSQKRIGFEYNR-NWDGAFQWSA-N 1 3 243.395 1.206 20 0 BDADHO COCC(C)(C)N(C)CC[C@H]1CCC[N@@H+]1C ZINC000429270600 201085158 /nfs/dbraw/zinc/08/51/58/201085158.db2.gz XVOCAJVSTSIEMX-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO COCC(C)(C)N(C)CC[C@H]1CCC[N@H+]1C ZINC000429270600 201085160 /nfs/dbraw/zinc/08/51/60/201085160.db2.gz XVOCAJVSTSIEMX-GFCCVEGCSA-N 1 3 228.380 1.828 20 0 BDADHO Cc1ncc([C@@H](C)NCCOCCC[NH3+])s1 ZINC000629536943 361399507 /nfs/dbraw/zinc/39/95/07/361399507.db2.gz ISPJZXBVAVIBNK-SECBINFHSA-N 1 3 243.376 1.468 20 0 BDADHO COCCC[C@H](C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534863 361408421 /nfs/dbraw/zinc/40/84/21/361408421.db2.gz BDQZPHTUYOJENX-GRYCIOLGSA-N 1 3 214.353 1.532 20 0 BDADHO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@H]1CCCCN1 ZINC000629545824 361426691 /nfs/dbraw/zinc/42/66/91/361426691.db2.gz CTINFGMDYXOXRH-DEQVHRJGSA-N 1 3 238.375 1.674 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000629554617 361437488 /nfs/dbraw/zinc/43/74/88/361437488.db2.gz KVQOJACLCLJAAU-DBIOUOCHSA-N 1 3 200.326 1.127 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000629554503 361442640 /nfs/dbraw/zinc/44/26/40/361442640.db2.gz JXSXJRJQXVERBR-WYUUTHIRSA-N 1 3 212.337 1.271 20 0 BDADHO CCO[C@H](CN1CC[C@H]([NH3+])C[C@H]1C)C1CC1 ZINC000629550544 361443162 /nfs/dbraw/zinc/44/31/62/361443162.db2.gz ZEMIMVZAXGQMFV-KGYLQXTDSA-N 1 3 226.364 1.613 20 0 BDADHO CC[C@@H](C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629594999 361481575 /nfs/dbraw/zinc/48/15/75/361481575.db2.gz LGKLCVJZZCRHPF-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO C[NH2+]CCCN1CCCc2cccc(CN)c21 ZINC000629560052 361455357 /nfs/dbraw/zinc/45/53/57/361455357.db2.gz IGSKUEYEHGUGKZ-UHFFFAOYSA-N 1 3 233.359 1.507 20 0 BDADHO C(CN1CCO[C@@H]2CCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000629566797 361457618 /nfs/dbraw/zinc/45/76/18/361457618.db2.gz HVSZJRVVXBQCTK-FRRDWIJNSA-N 1 3 224.348 1.239 20 0 BDADHO CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccccc1)N(C)C ZINC000629615569 361505544 /nfs/dbraw/zinc/50/55/44/361505544.db2.gz VEILJXIFVJNNID-STQMWFEESA-N 1 3 249.358 1.143 20 0 BDADHO CC[C@H]([NH2+]CCCN(C)C)c1cnn(C)c1 ZINC000151907214 201186830 /nfs/dbraw/zinc/18/68/30/201186830.db2.gz JVDKUPAGIRDUEV-LBPRGKRZSA-N 1 3 224.352 1.413 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1CC1=CCCOC1 ZINC000629646807 361535532 /nfs/dbraw/zinc/53/55/32/361535532.db2.gz FDQRENKHNGAKRU-JQWIXIFHSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1=CCCOC1 ZINC000629646807 361535539 /nfs/dbraw/zinc/53/55/39/361535539.db2.gz FDQRENKHNGAKRU-JQWIXIFHSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1=CCCOC1 ZINC000629646807 361535542 /nfs/dbraw/zinc/53/55/42/361535542.db2.gz FDQRENKHNGAKRU-JQWIXIFHSA-N 1 3 210.321 1.002 20 0 BDADHO CS[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000448545868 201197899 /nfs/dbraw/zinc/19/78/99/201197899.db2.gz NWQWRBHOJPNUGX-NEPJUHHUSA-N 1 3 228.405 1.908 20 0 BDADHO CS[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000448545868 201197900 /nfs/dbraw/zinc/19/79/00/201197900.db2.gz NWQWRBHOJPNUGX-NEPJUHHUSA-N 1 3 228.405 1.908 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccn(C)c2)C1 ZINC000629647553 361538085 /nfs/dbraw/zinc/53/80/85/361538085.db2.gz ZEPWVRTZKWQOJP-ZYHUDNBSSA-N 1 3 207.321 1.194 20 0 BDADHO COCc1ccc(CNCC[C@@H]2CC[NH2+]C2)o1 ZINC000629647957 361539895 /nfs/dbraw/zinc/53/98/95/361539895.db2.gz LXYLPVIQQFGZHO-NSHDSACASA-N 1 3 238.331 1.515 20 0 BDADHO C[C@H](N(C)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)O ZINC000448546767 201202776 /nfs/dbraw/zinc/20/27/76/201202776.db2.gz MFMPEHSLLNKQFI-RYUDHWBXSA-N 1 3 228.380 1.562 20 0 BDADHO C[C@H](N(C)CC[C@@H]1CCC[N@H+]1C)C(C)(C)O ZINC000448546767 201202779 /nfs/dbraw/zinc/20/27/79/201202779.db2.gz MFMPEHSLLNKQFI-RYUDHWBXSA-N 1 3 228.380 1.562 20 0 BDADHO COC1(C[NH2+][C@@H]2CCN[C@H](C)C2)CCCC1 ZINC000629649510 361545133 /nfs/dbraw/zinc/54/51/33/361545133.db2.gz UHWIUDBPIWMJGD-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO COC1(CN[C@@H]2CC[NH2+][C@H](C)C2)CCCC1 ZINC000629649510 361545135 /nfs/dbraw/zinc/54/51/35/361545135.db2.gz UHWIUDBPIWMJGD-VXGBXAGGSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000629651422 361556316 /nfs/dbraw/zinc/55/63/16/361556316.db2.gz FXCAHQFNJNHWNY-AAEUAGOBSA-N 1 3 224.348 1.535 20 0 BDADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CC1=CCCOC1 ZINC000629651422 361556320 /nfs/dbraw/zinc/55/63/20/361556320.db2.gz FXCAHQFNJNHWNY-AAEUAGOBSA-N 1 3 224.348 1.535 20 0 BDADHO C[C@@H]1C[C@H](CN2CCO[C@H](CCF)C2)CC[NH2+]1 ZINC000629666482 361587594 /nfs/dbraw/zinc/58/75/94/361587594.db2.gz REMFRRTWIXWUHB-JHJVBQTASA-N 1 3 244.354 1.435 20 0 BDADHO CC[N@H+](C[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000435626578 201279089 /nfs/dbraw/zinc/27/90/89/201279089.db2.gz OXKBLVGRDNFVGX-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000435626578 201279092 /nfs/dbraw/zinc/27/90/92/201279092.db2.gz OXKBLVGRDNFVGX-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO CC[N@H+](CCCCOC)[C@@H]1CCCNCC1 ZINC000435614260 201279920 /nfs/dbraw/zinc/27/99/20/201279920.db2.gz LYGXYGZUVGTSLS-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CC[N@@H+](CCCCOC)[C@@H]1CCCNCC1 ZINC000435614260 201279922 /nfs/dbraw/zinc/27/99/22/201279922.db2.gz LYGXYGZUVGTSLS-CYBMUJFWSA-N 1 3 228.380 1.877 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000154558561 201283280 /nfs/dbraw/zinc/28/32/80/201283280.db2.gz ANAPOPCTAAQWFF-JQWIXIFHSA-N 1 3 241.379 1.103 20 0 BDADHO CCCC[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000154558561 201283284 /nfs/dbraw/zinc/28/32/84/201283284.db2.gz ANAPOPCTAAQWFF-JQWIXIFHSA-N 1 3 241.379 1.103 20 0 BDADHO [NH3+]CCCC(=O)Nc1cccc2c1CNCC2 ZINC000367508278 181374063 /nfs/dbraw/zinc/37/40/63/181374063.db2.gz TVUOJXCBPMJUHC-UHFFFAOYSA-N 1 3 233.315 1.010 20 0 BDADHO CC(C)(CO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250686008 541440156 /nfs/dbraw/zinc/44/01/56/541440156.db2.gz FHJANRABLLOVGM-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)(CO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250686008 541440162 /nfs/dbraw/zinc/44/01/62/541440162.db2.gz FHJANRABLLOVGM-RYUDHWBXSA-N 1 3 226.364 1.221 20 0 BDADHO CC1=CCN(CCN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000574339288 365041366 /nfs/dbraw/zinc/04/13/66/365041366.db2.gz OWCNBUKDWVTJKC-KGLIPLIRSA-N 1 3 237.391 1.498 20 0 BDADHO [NH3+]CCN1CCCN(Cc2ccccc2)CC1 ZINC000037039698 181392264 /nfs/dbraw/zinc/39/22/64/181392264.db2.gz VCQMPPXYHFFWJX-UHFFFAOYSA-N 1 3 233.359 1.153 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000575071801 365189251 /nfs/dbraw/zinc/18/92/51/365189251.db2.gz HQHTYQKNDDHBSS-XQQFMLRXSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000575071801 365189254 /nfs/dbraw/zinc/18/92/54/365189254.db2.gz HQHTYQKNDDHBSS-XQQFMLRXSA-N 1 3 240.391 1.643 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000575882026 365405153 /nfs/dbraw/zinc/40/51/53/365405153.db2.gz GJWVMTQVHASRCB-HTOAHKCRSA-N 1 3 238.375 1.804 20 0 BDADHO CC(C)[NH2+]CCCN[C@H]1CN(C2CC2)C[C@H]1C ZINC000575980128 365432062 /nfs/dbraw/zinc/43/20/62/365432062.db2.gz UTHDCHIRKXVEBU-OCCSQVGLSA-N 1 3 239.407 1.447 20 0 BDADHO CN[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000579614103 366909953 /nfs/dbraw/zinc/90/99/53/366909953.db2.gz QSAHFIXZWAHQBQ-BDAKNGLRSA-N 1 3 221.304 1.253 20 0 BDADHO CC[C@@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000564943812 325830601 /nfs/dbraw/zinc/83/06/01/325830601.db2.gz QXULFWZDEVLAAP-BXKDBHETSA-N 1 3 235.331 1.060 20 0 BDADHO C[NH2+]C[C@H]1CCN(CCCc2ccncc2)C1 ZINC000579713022 366989454 /nfs/dbraw/zinc/98/94/54/366989454.db2.gz WBRBRQQEZOFLIT-CQSZACIVSA-N 1 3 233.359 1.556 20 0 BDADHO CC[NH+](CC)CCOCCNCC1(F)CC1 ZINC000381739502 367453449 /nfs/dbraw/zinc/45/34/49/367453449.db2.gz OSAJWNYFDGTHDF-UHFFFAOYSA-N 1 3 232.343 1.437 20 0 BDADHO CC(C)[NH2+]CCCN[C@@H]1CCO[C@H]1C ZINC000581661124 367661183 /nfs/dbraw/zinc/66/11/83/367661183.db2.gz NPBJOTWRYYVTCS-WDEREUQCSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)CN1CCCC1 ZINC000384871277 367746967 /nfs/dbraw/zinc/74/69/67/367746967.db2.gz ILMAGUZIKLLHBZ-YIYPIFLZSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](CN[C@@H]1C[C@@H](C)O[C@H]1C)C[NH+]1CCCC1 ZINC000384871277 367746974 /nfs/dbraw/zinc/74/69/74/367746974.db2.gz ILMAGUZIKLLHBZ-YIYPIFLZSA-N 1 3 240.391 1.874 20 0 BDADHO Cc1cnccc1CNCCOCC[NH+](C)C ZINC000384953241 367764167 /nfs/dbraw/zinc/76/41/67/367764167.db2.gz MAPSWIWEFVCUFU-UHFFFAOYSA-N 1 3 237.347 1.058 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](C)O1 ZINC000385224284 367810883 /nfs/dbraw/zinc/81/08/83/367810883.db2.gz SXHNDPGLPRQNQY-ITGHMWBKSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](C)O1 ZINC000385224284 367810889 /nfs/dbraw/zinc/81/08/89/367810889.db2.gz SXHNDPGLPRQNQY-ITGHMWBKSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)[C@H](C)O1 ZINC000385098819 367790448 /nfs/dbraw/zinc/79/04/48/367790448.db2.gz HHWORCLBQKTIBX-BJJPWKGXSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)[C@H](C)O1 ZINC000385098819 367790451 /nfs/dbraw/zinc/79/04/51/367790451.db2.gz HHWORCLBQKTIBX-BJJPWKGXSA-N 1 3 238.375 1.769 20 0 BDADHO OC[C@@H]([NH2+]C1CCNCC1)C1CCCCC1 ZINC000386201356 367928585 /nfs/dbraw/zinc/92/85/85/367928585.db2.gz FRYSNIKDYIMECN-CYBMUJFWSA-N 1 3 226.364 1.269 20 0 BDADHO OC[C@@H](NC1CC[NH2+]CC1)C1CCCCC1 ZINC000386201356 367928590 /nfs/dbraw/zinc/92/85/90/367928590.db2.gz FRYSNIKDYIMECN-CYBMUJFWSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@H](CO)CCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386592536 367998748 /nfs/dbraw/zinc/99/87/48/367998748.db2.gz RTIQGVUEINFNPF-RWMBFGLXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](NC[C@@H]1CCCN1C)[C@H]1CCCC[NH2+]1 ZINC000386430090 367970348 /nfs/dbraw/zinc/97/03/48/367970348.db2.gz LFZCXGQSDWFIDM-RWMBFGLXSA-N 1 3 225.380 1.201 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000566423171 326044248 /nfs/dbraw/zinc/04/42/48/326044248.db2.gz BZAKABKPWMNPFX-WOPDTQHZSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1C[C@H](O)C1(C)C ZINC000566423171 326044250 /nfs/dbraw/zinc/04/42/50/326044250.db2.gz BZAKABKPWMNPFX-WOPDTQHZSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1C[C@H](O)C1(C)C ZINC000566423171 326044253 /nfs/dbraw/zinc/04/42/53/326044253.db2.gz BZAKABKPWMNPFX-WOPDTQHZSA-N 1 3 226.364 1.220 20 0 BDADHO CC[C@@H](CO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000164017742 202837326 /nfs/dbraw/zinc/83/73/26/202837326.db2.gz QTRHBJHFRCLFQJ-FRRDWIJNSA-N 1 3 228.380 1.658 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2ccccn2)C1 ZINC000086401859 368878567 /nfs/dbraw/zinc/87/85/67/368878567.db2.gz YEAISPSFPMKMBW-YPMHNXCESA-N 1 3 219.332 1.484 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000086401859 368878574 /nfs/dbraw/zinc/87/85/74/368878574.db2.gz YEAISPSFPMKMBW-YPMHNXCESA-N 1 3 219.332 1.484 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821747 368974421 /nfs/dbraw/zinc/97/44/21/368974421.db2.gz HYNWUVIMRGDYNC-LOWDOPEQSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000631821747 368974425 /nfs/dbraw/zinc/97/44/25/368974425.db2.gz HYNWUVIMRGDYNC-LOWDOPEQSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](C)C2)[C@@H](C)O1 ZINC000623657133 368997326 /nfs/dbraw/zinc/99/73/26/368997326.db2.gz KIPXFXNWIXXATD-MQYQWHSLSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)[C@@H](C)O1 ZINC000623657133 368997332 /nfs/dbraw/zinc/99/73/32/368997332.db2.gz KIPXFXNWIXXATD-MQYQWHSLSA-N 1 3 240.391 1.874 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000623657120 368998166 /nfs/dbraw/zinc/99/81/66/368998166.db2.gz KBUIMCWZGVFGOO-LBPRGKRZSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)CO1 ZINC000623657773 368999023 /nfs/dbraw/zinc/99/90/23/368999023.db2.gz YRGAZRNQCVHIRL-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657773 368999026 /nfs/dbraw/zinc/99/90/26/368999026.db2.gz YRGAZRNQCVHIRL-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657773 368999033 /nfs/dbraw/zinc/99/90/33/368999033.db2.gz YRGAZRNQCVHIRL-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO CN(C)CC(C)(C)[NH2+]CC[C@H]1CCCN1C ZINC000459551564 203299685 /nfs/dbraw/zinc/29/96/85/203299685.db2.gz SFUWGQBPACLPQI-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000459631824 203322993 /nfs/dbraw/zinc/32/29/93/203322993.db2.gz KSEZDVZKHZGETA-MQYQWHSLSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000459631824 203322995 /nfs/dbraw/zinc/32/29/95/203322995.db2.gz KSEZDVZKHZGETA-MQYQWHSLSA-N 1 3 238.375 1.770 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000568295338 326343064 /nfs/dbraw/zinc/34/30/64/326343064.db2.gz YMBVTIMQPGHXTD-RHYQMDGZSA-N 1 3 212.337 1.007 20 0 BDADHO N[C@]12CCC[C@H]1C[N@H+](CCCCCF)C2 ZINC000621784036 370535448 /nfs/dbraw/zinc/53/54/48/370535448.db2.gz IQQOOCCWWKJPGW-RYUDHWBXSA-N 1 3 214.328 1.939 20 0 BDADHO N[C@]12CCC[C@H]1C[N@@H+](CCCCCF)C2 ZINC000621784036 370535450 /nfs/dbraw/zinc/53/54/50/370535450.db2.gz IQQOOCCWWKJPGW-RYUDHWBXSA-N 1 3 214.328 1.939 20 0 BDADHO COCC[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121317 371321855 /nfs/dbraw/zinc/32/18/55/371321855.db2.gz SZQOJTOIUDOCBT-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO C[C@H](CCCCO)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624122165 371322845 /nfs/dbraw/zinc/32/28/45/371322845.db2.gz LIXDBDKMRTXLPI-ZIAGYGMSSA-N 1 3 242.407 1.859 20 0 BDADHO C[C@@H]1OCC[C@H]1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000631823865 372602035 /nfs/dbraw/zinc/60/20/35/372602035.db2.gz PMOQNGJMNMKDAO-RWMBFGLXSA-N 1 3 224.348 1.097 20 0 BDADHO [NH3+]C[C@@H]1CCN(Cc2cccc3c2CCOC3)C1 ZINC000631820490 372593788 /nfs/dbraw/zinc/59/37/88/372593788.db2.gz AXGGHBKZSJJKOF-LBPRGKRZSA-N 1 3 246.354 1.540 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000631828449 372608836 /nfs/dbraw/zinc/60/88/36/372608836.db2.gz PGVHPCOJPVSGSX-FVCCEPFGSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000631828449 372608840 /nfs/dbraw/zinc/60/88/40/372608840.db2.gz PGVHPCOJPVSGSX-FVCCEPFGSA-N 1 3 226.364 1.328 20 0 BDADHO FCCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000631837219 372627913 /nfs/dbraw/zinc/62/79/13/372627913.db2.gz PFBJJHMDKGWHMK-LBPRGKRZSA-N 1 3 214.328 1.668 20 0 BDADHO C[C@H]1CN(Cc2ccccc2N(C)C)C[C@H]1C[NH3+] ZINC000631838186 372631446 /nfs/dbraw/zinc/63/14/46/372631446.db2.gz KHLFIITZNQJKLN-GXTWGEPZSA-N 1 3 247.386 1.779 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)CC[C@H]1N ZINC000631824807 372604608 /nfs/dbraw/zinc/60/46/08/372604608.db2.gz QTTPCWQSEHPCJK-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)CC[C@H]1N ZINC000631824807 372604614 /nfs/dbraw/zinc/60/46/14/372604614.db2.gz QTTPCWQSEHPCJK-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCO[C@H]2C)CC[C@H]1[NH3+] ZINC000631824807 372604619 /nfs/dbraw/zinc/60/46/19/372604619.db2.gz QTTPCWQSEHPCJK-QNWHQSFQSA-N 1 3 226.364 1.471 20 0 BDADHO CC(C)=CCC[NH+]1CCC(NCCO)CC1 ZINC000631861642 372663134 /nfs/dbraw/zinc/66/31/34/372663134.db2.gz GGYNQROEAREHAC-UHFFFAOYSA-N 1 3 226.364 1.389 20 0 BDADHO OCC[NH2+]C1CCN(C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000631862975 372664609 /nfs/dbraw/zinc/66/46/09/372664609.db2.gz VRQLLUBXTOJSKN-CLLJXQQHSA-N 1 3 238.375 1.079 20 0 BDADHO C[C@@H](N[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CCCC[NH2+]1 ZINC000424381372 206038930 /nfs/dbraw/zinc/03/89/30/206038930.db2.gz QSESBEREOPLHAC-UJPOAAIJSA-N 1 3 208.349 1.905 20 0 BDADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000359267308 169071253 /nfs/dbraw/zinc/07/12/53/169071253.db2.gz VEYDCPJQSFRFDR-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000359267308 169071255 /nfs/dbraw/zinc/07/12/55/169071255.db2.gz VEYDCPJQSFRFDR-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO CCCN(C)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000359248230 169073631 /nfs/dbraw/zinc/07/36/31/169073631.db2.gz HAKRKFSDSFKWBV-LBPRGKRZSA-N 1 3 243.395 1.175 20 0 BDADHO O[C@@H]1C[N@H+](CCCN2CCCCC2)CC12CC2 ZINC000364602480 183205852 /nfs/dbraw/zinc/20/58/52/183205852.db2.gz RHPNJRKQRJWULZ-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO O[C@@H]1C[N@@H+](CCCN2CCCCC2)CC12CC2 ZINC000364602480 183205853 /nfs/dbraw/zinc/20/58/53/183205853.db2.gz RHPNJRKQRJWULZ-CYBMUJFWSA-N 1 3 238.375 1.319 20 0 BDADHO CCCN(CC(=O)OCC)CC1CC[NH2+]CC1 ZINC000094025640 169101580 /nfs/dbraw/zinc/10/15/80/169101580.db2.gz WKYDGHQCPDFOLV-UHFFFAOYSA-N 1 3 242.363 1.261 20 0 BDADHO CCCN(C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000309405878 169173520 /nfs/dbraw/zinc/17/35/20/169173520.db2.gz JPQJUABNSPOYGW-CYBMUJFWSA-N 1 3 226.364 1.316 20 0 BDADHO CCCN(C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000309405878 169173522 /nfs/dbraw/zinc/17/35/22/169173522.db2.gz JPQJUABNSPOYGW-CYBMUJFWSA-N 1 3 226.364 1.316 20 0 BDADHO CCCN1CCC([NH2+]C[C@@H](C)N(C)C)CC1 ZINC000038089002 169188158 /nfs/dbraw/zinc/18/81/58/169188158.db2.gz MMPQYBSAECUXMZ-GFCCVEGCSA-N 1 3 227.396 1.401 20 0 BDADHO CCCN1CCC([NH2+][C@H](C)CCN(C)C)CC1 ZINC000049551870 169189604 /nfs/dbraw/zinc/18/96/04/169189604.db2.gz BXESLJQZCXZUQI-CYBMUJFWSA-N 1 3 241.423 1.791 20 0 BDADHO CCCN1CC[C@H](C[NH2+]C[C@H]2C[C@@H]2C)C1 ZINC000336764433 169208616 /nfs/dbraw/zinc/20/86/16/169208616.db2.gz PXSSUWJPSMANDS-YNEHKIRRSA-N 1 3 210.365 1.964 20 0 BDADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000295310920 169284710 /nfs/dbraw/zinc/28/47/10/169284710.db2.gz YJJJNLZCIPVIBP-YPMHNXCESA-N 1 3 249.358 1.191 20 0 BDADHO CCCN[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295188064 169285321 /nfs/dbraw/zinc/28/53/21/169285321.db2.gz WVJZSXQGWUCAMJ-SNVBAGLBSA-N 1 3 235.331 1.472 20 0 BDADHO CCC[C@@H](CC)[NH2+]CC1(O)CCN(C)CC1 ZINC000336744409 169378091 /nfs/dbraw/zinc/37/80/91/169378091.db2.gz UWLSNDUIOKYVCT-GFCCVEGCSA-N 1 3 228.380 1.611 20 0 BDADHO C[NH2+]CCCN(C)C[C@H]1CCC(F)(F)C1 ZINC000301004577 383829935 /nfs/dbraw/zinc/82/99/35/383829935.db2.gz WLXWNGDPFYOGNM-JTQLQIEISA-N 1 3 220.307 1.963 20 0 BDADHO CNCCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000301004577 383829939 /nfs/dbraw/zinc/82/99/39/383829939.db2.gz WLXWNGDPFYOGNM-JTQLQIEISA-N 1 3 220.307 1.963 20 0 BDADHO CNCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000301004577 383829944 /nfs/dbraw/zinc/82/99/44/383829944.db2.gz WLXWNGDPFYOGNM-JTQLQIEISA-N 1 3 220.307 1.963 20 0 BDADHO C[C@@H]1OCC[C@@H]1NC1CC[NH+](C2CCC2)CC1 ZINC000336420610 383832468 /nfs/dbraw/zinc/83/24/68/383832468.db2.gz WPWOAJWJVJIADI-FZMZJTMJSA-N 1 3 238.375 1.770 20 0 BDADHO CCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000036908717 383921790 /nfs/dbraw/zinc/92/17/90/383921790.db2.gz BOMXMNITEGNHQL-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO CCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000036908717 383921794 /nfs/dbraw/zinc/92/17/94/383921794.db2.gz BOMXMNITEGNHQL-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO COC[C@H](C)C[NH2+]CCCN(C)C(C)C ZINC000220565419 383882648 /nfs/dbraw/zinc/88/26/48/383882648.db2.gz BAKNOOMEROTBOI-GFCCVEGCSA-N 1 3 216.369 1.589 20 0 BDADHO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545783 384014537 /nfs/dbraw/zinc/01/45/37/384014537.db2.gz CGPCTHDVJFXODK-UTUOFQBUSA-N 1 3 226.364 1.674 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643545783 384014542 /nfs/dbraw/zinc/01/45/42/384014542.db2.gz CGPCTHDVJFXODK-UTUOFQBUSA-N 1 3 226.364 1.674 20 0 BDADHO CCOC[C@H]1CCCCN1C[C@]1(C)CC[NH2+]C1 ZINC000313216733 384054070 /nfs/dbraw/zinc/05/40/70/384054070.db2.gz RSTMMMSNHRYIDJ-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000569503111 384135968 /nfs/dbraw/zinc/13/59/68/384135968.db2.gz NUIYAPVASXGNNK-IJLUTSLNSA-N 1 3 214.353 1.253 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000569503111 384135971 /nfs/dbraw/zinc/13/59/71/384135971.db2.gz NUIYAPVASXGNNK-IJLUTSLNSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOc2ccccc2)C1 ZINC000163205738 384164470 /nfs/dbraw/zinc/16/44/70/384164470.db2.gz UWJSIAYIXWCVSO-CHWSQXEVSA-N 1 3 234.343 1.735 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CO1 ZINC000401909515 384246371 /nfs/dbraw/zinc/24/63/71/384246371.db2.gz VWQFWHIFIKIBBB-RYUDHWBXSA-N 1 3 212.337 1.239 20 0 BDADHO C[C@H]1C[C@H](NCCC[NH+]2CCCC2)CO1 ZINC000401909515 384246377 /nfs/dbraw/zinc/24/63/77/384246377.db2.gz VWQFWHIFIKIBBB-RYUDHWBXSA-N 1 3 212.337 1.239 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC2(OC)CCCC2)C1 ZINC000319461189 384251149 /nfs/dbraw/zinc/25/11/49/384251149.db2.gz OZHIJWLRROJZPT-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CNC[C@H]1CCC[N@H+](CC2(OC)CCCC2)C1 ZINC000319461189 384251156 /nfs/dbraw/zinc/25/11/56/384251156.db2.gz OZHIJWLRROJZPT-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO CNC[C@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000319461189 384251164 /nfs/dbraw/zinc/25/11/64/384251164.db2.gz OZHIJWLRROJZPT-CYBMUJFWSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](NC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000335434665 384274152 /nfs/dbraw/zinc/27/41/52/384274152.db2.gz IWWYYBNJOCARRB-JQWIXIFHSA-N 1 3 212.337 1.286 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000228552421 384276645 /nfs/dbraw/zinc/27/66/45/384276645.db2.gz LDITTWBDXHXOMJ-HBNTYKKESA-N 1 3 214.378 1.599 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CCCOC)C1 ZINC000173890204 384278843 /nfs/dbraw/zinc/27/88/43/384278843.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CCCOC)C1 ZINC000173890204 384278845 /nfs/dbraw/zinc/27/88/45/384278845.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CCCOC)C1 ZINC000173890204 384278847 /nfs/dbraw/zinc/27/88/47/384278847.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CCCOC)C1 ZINC000173890204 384278850 /nfs/dbraw/zinc/27/88/50/384278850.db2.gz AYRVSWKYAIPKJR-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO C[C@@H](O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000305661122 384293012 /nfs/dbraw/zinc/29/30/12/384293012.db2.gz XYTBPAGTCRULQY-TZMCWYRMSA-N 1 3 240.391 1.564 20 0 BDADHO Cc1ccc(CN2CCC[C@H](CC[NH3+])C2)cn1 ZINC000228858819 384346528 /nfs/dbraw/zinc/34/65/28/384346528.db2.gz UYWHNJYQXAGSIS-CYBMUJFWSA-N 1 3 233.359 1.951 20 0 BDADHO CC1(C)[C@H](NCCOCC(F)(F)F)C[C@@H]1[NH3+] ZINC000405479348 384368955 /nfs/dbraw/zinc/36/89/55/384368955.db2.gz MTCHZHMVAIYMKW-JGVFFNPUSA-N 1 3 240.269 1.281 20 0 BDADHO CC1(C)[C@H]([NH2+]CCOCC(F)(F)F)C[C@@H]1N ZINC000405479348 384368961 /nfs/dbraw/zinc/36/89/61/384368961.db2.gz MTCHZHMVAIYMKW-JGVFFNPUSA-N 1 3 240.269 1.281 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647175053 384470790 /nfs/dbraw/zinc/47/07/90/384470790.db2.gz VULXZARSXZTNAU-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000647175053 384470799 /nfs/dbraw/zinc/47/07/99/384470799.db2.gz VULXZARSXZTNAU-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000647175053 384470805 /nfs/dbraw/zinc/47/08/05/384470805.db2.gz VULXZARSXZTNAU-UPJWGTAASA-N 1 3 226.364 1.485 20 0 BDADHO NC[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000224609844 384478097 /nfs/dbraw/zinc/47/80/97/384478097.db2.gz ALGJTEJIFNXTPV-QWRGUYRKSA-N 1 3 214.378 1.410 20 0 BDADHO NC[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000224609844 384478100 /nfs/dbraw/zinc/47/81/00/384478100.db2.gz ALGJTEJIFNXTPV-QWRGUYRKSA-N 1 3 214.378 1.410 20 0 BDADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCSC2)C1 ZINC000224609844 384478105 /nfs/dbraw/zinc/47/81/05/384478105.db2.gz ALGJTEJIFNXTPV-QWRGUYRKSA-N 1 3 214.378 1.410 20 0 BDADHO COCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150816003 384514029 /nfs/dbraw/zinc/51/40/29/384514029.db2.gz NMMFYUSTYJQVJU-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO COCCC[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150816003 384514033 /nfs/dbraw/zinc/51/40/33/384514033.db2.gz NMMFYUSTYJQVJU-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO COCCC[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000150816003 384514036 /nfs/dbraw/zinc/51/40/36/384514036.db2.gz NMMFYUSTYJQVJU-ZDUSSCGKSA-N 1 3 226.364 1.441 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](CCCF)C1 ZINC000151431432 384574086 /nfs/dbraw/zinc/57/40/86/384574086.db2.gz NKQFPPZYPPPWKR-LLVKDONJSA-N 1 3 202.317 1.620 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](CCCF)C1 ZINC000151431432 384574091 /nfs/dbraw/zinc/57/40/91/384574091.db2.gz NKQFPPZYPPPWKR-LLVKDONJSA-N 1 3 202.317 1.620 20 0 BDADHO CCN(CC)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000236837588 384588574 /nfs/dbraw/zinc/58/85/74/384588574.db2.gz RPEDGLGBBYICMC-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO Cc1cccc(CCN[C@@H](C)C[C@@H](C)[NH3+])n1 ZINC000423090697 384565085 /nfs/dbraw/zinc/56/50/85/384565085.db2.gz YGIXQSNCALWCDJ-PWSUYJOCSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccc(CC[NH2+][C@@H](C)C[C@@H](C)N)n1 ZINC000423090697 384565090 /nfs/dbraw/zinc/56/50/90/384565090.db2.gz YGIXQSNCALWCDJ-PWSUYJOCSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000423085691 384566876 /nfs/dbraw/zinc/56/68/76/384566876.db2.gz LFDWMKZLRQDSCJ-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1cccc(CC[NH2+][C@H]2CCNCC[C@H]2C)n1 ZINC000423085691 384566882 /nfs/dbraw/zinc/56/68/82/384566882.db2.gz LFDWMKZLRQDSCJ-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO CO[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647538543 384665999 /nfs/dbraw/zinc/66/59/99/384665999.db2.gz XCHZEAIXLDRNOK-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000104138845 384657439 /nfs/dbraw/zinc/65/74/39/384657439.db2.gz QFGCXQSITLOXTJ-ZDUSSCGKSA-N 1 3 241.423 1.647 20 0 BDADHO CCOC(=O)CCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173525682 384687544 /nfs/dbraw/zinc/68/75/44/384687544.db2.gz QLYVITMIJBGUAO-NEPJUHHUSA-N 1 3 242.363 1.354 20 0 BDADHO CCOC(=O)CCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173525682 384687551 /nfs/dbraw/zinc/68/75/51/384687551.db2.gz QLYVITMIJBGUAO-NEPJUHHUSA-N 1 3 242.363 1.354 20 0 BDADHO C[C@@H]1CC2(C[N@@H+]1CCCN)CCOCC2 ZINC000647553102 384764056 /nfs/dbraw/zinc/76/40/56/384764056.db2.gz AZFFCUFVKWZNRK-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1CC2(C[N@H+]1CCCN)CCOCC2 ZINC000647553102 384764062 /nfs/dbraw/zinc/76/40/62/384764062.db2.gz AZFFCUFVKWZNRK-LLVKDONJSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCNC12CCCC2 ZINC000647553670 384768305 /nfs/dbraw/zinc/76/83/05/384768305.db2.gz GQUJKXPNVNAOBV-WOPDTQHZSA-N 1 3 208.349 1.907 20 0 BDADHO Cc1cccc2nc(CCNCCC[NH3+])cn21 ZINC000647554309 384772598 /nfs/dbraw/zinc/77/25/98/384772598.db2.gz WKEDLHVRKADHGO-UHFFFAOYSA-N 1 3 232.331 1.124 20 0 BDADHO Cc1cccc2nc(CC[NH2+]CCCN)cn21 ZINC000647554309 384772603 /nfs/dbraw/zinc/77/26/03/384772603.db2.gz WKEDLHVRKADHGO-UHFFFAOYSA-N 1 3 232.331 1.124 20 0 BDADHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H]1CCOC1 ZINC000309778347 384823689 /nfs/dbraw/zinc/82/36/89/384823689.db2.gz QKHGHSSIQYJDAH-AVGNSLFASA-N 1 3 228.380 1.589 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375854883 384827309 /nfs/dbraw/zinc/82/73/09/384827309.db2.gz WXGABCFMGVFOOP-LLVKDONJSA-N 1 3 222.336 1.328 20 0 BDADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CC[C@@H](C)O1 ZINC000398179708 384831688 /nfs/dbraw/zinc/83/16/88/384831688.db2.gz SBKFKQLHCZBTJM-FVCCEPFGSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCOC2)C[C@H]1CN ZINC000397331975 384797064 /nfs/dbraw/zinc/79/70/64/384797064.db2.gz RHHZQBMFDJUKJK-YVECIDJPSA-N 1 3 226.364 1.328 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCOC2)C[C@H]1CN ZINC000397331975 384797068 /nfs/dbraw/zinc/79/70/68/384797068.db2.gz RHHZQBMFDJUKJK-YVECIDJPSA-N 1 3 226.364 1.328 20 0 BDADHO COC[C@@H]([NH2+]CC1(N)CCCCC1)C1CC1 ZINC000398121944 384811103 /nfs/dbraw/zinc/81/11/03/384811103.db2.gz QQIKAUHBJOCWJG-GFCCVEGCSA-N 1 3 226.364 1.663 20 0 BDADHO COC[C@@H](NCC1([NH3+])CCCCC1)C1CC1 ZINC000398121944 384811113 /nfs/dbraw/zinc/81/11/13/384811113.db2.gz QQIKAUHBJOCWJG-GFCCVEGCSA-N 1 3 226.364 1.663 20 0 BDADHO Cc1ccc(CN[C@H](C)CCC[NH3+])nc1C ZINC000314184093 384847657 /nfs/dbraw/zinc/84/76/57/384847657.db2.gz OUCDSCKBYIRHMV-LLVKDONJSA-N 1 3 221.348 1.915 20 0 BDADHO CC(C)CN(CCN(C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000156663400 384918929 /nfs/dbraw/zinc/91/89/29/384918929.db2.gz QGRXGHKHYFEEMV-RYUDHWBXSA-N 1 3 243.395 1.016 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOCC1CCC1 ZINC000518360349 384977633 /nfs/dbraw/zinc/97/76/33/384977633.db2.gz VOTNWWAODCMYJH-ZIAGYGMSSA-N 1 3 240.391 1.910 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOCC1CCC1 ZINC000518360349 384977640 /nfs/dbraw/zinc/97/76/40/384977640.db2.gz VOTNWWAODCMYJH-ZIAGYGMSSA-N 1 3 240.391 1.910 20 0 BDADHO Cc1nc(CCNC[C@@]2(C)CC[NH2+]C2)cs1 ZINC000226467889 385018029 /nfs/dbraw/zinc/01/80/29/385018029.db2.gz DSCBBBRTZOWWLO-GFCCVEGCSA-N 1 3 239.388 1.583 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@H](N)CC(C)C)[C@@H](C)C1 ZINC000300930202 385055275 /nfs/dbraw/zinc/05/52/75/385055275.db2.gz QXAYOJNPSRTURZ-YNEHKIRRSA-N 1 3 228.380 1.859 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@H](N)CC(C)C)[C@@H](C)C1 ZINC000300930202 385055284 /nfs/dbraw/zinc/05/52/84/385055284.db2.gz QXAYOJNPSRTURZ-YNEHKIRRSA-N 1 3 228.380 1.859 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCc1cccnc1 ZINC000404779046 385056131 /nfs/dbraw/zinc/05/61/31/385056131.db2.gz MMTLHIAGJGTHDP-VXGBXAGGSA-N 1 3 219.332 1.340 20 0 BDADHO CO[C@@H](CNC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000340487052 385071892 /nfs/dbraw/zinc/07/18/92/385071892.db2.gz LFKLZRMEEVWBHQ-AWEZNQCLSA-N 1 3 240.391 1.874 20 0 BDADHO C1CC1[C@@H]1CC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423543433 385024295 /nfs/dbraw/zinc/02/42/95/385024295.db2.gz BVMKTESVILOPQP-RWMBFGLXSA-N 1 3 208.349 1.907 20 0 BDADHO C1CC1[C@@H]1CC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423543432 385025937 /nfs/dbraw/zinc/02/59/37/385025937.db2.gz BVMKTESVILOPQP-AVGNSLFASA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)CCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000310536679 385109698 /nfs/dbraw/zinc/10/96/98/385109698.db2.gz RLFHAYQBMCWSJB-IHRRRGAJSA-N 1 3 240.391 1.718 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647002204 385138275 /nfs/dbraw/zinc/13/82/75/385138275.db2.gz XKXBTNLRYRXIMH-LOWVWBTDSA-N 1 3 241.379 1.090 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000252715788 385225100 /nfs/dbraw/zinc/22/51/00/385225100.db2.gz WSXZCYPCPYIJKV-CHWSQXEVSA-N 1 3 227.396 1.256 20 0 BDADHO C[C@H](C[NH2+]C[C@H]1CCCOC1)CN(C)C ZINC000308898797 385252807 /nfs/dbraw/zinc/25/28/07/385252807.db2.gz JOJMHXQLTFAVBC-VXGBXAGGSA-N 1 3 214.353 1.200 20 0 BDADHO FC(F)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000409424366 385332042 /nfs/dbraw/zinc/33/20/42/385332042.db2.gz BRRHOYYZCXVRPM-VIFPVBQESA-N 1 3 218.291 1.716 20 0 BDADHO FC(F)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000409424366 385332045 /nfs/dbraw/zinc/33/20/45/385332045.db2.gz BRRHOYYZCXVRPM-VIFPVBQESA-N 1 3 218.291 1.716 20 0 BDADHO CNCc1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000647654915 385344717 /nfs/dbraw/zinc/34/47/17/385344717.db2.gz AYVINDFDQWLANK-GFCCVEGCSA-N 1 3 233.315 1.097 20 0 BDADHO [NH3+]Cc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000131739153 385357753 /nfs/dbraw/zinc/35/77/53/385357753.db2.gz JGVRGHYQIKEEEG-UHFFFAOYSA-N 1 3 233.315 1.083 20 0 BDADHO C=Cn1cc(CN(C)CC2CC[NH+](C)CC2)cn1 ZINC000193880087 385416474 /nfs/dbraw/zinc/41/64/74/385416474.db2.gz AFPJMEYNLFLMIT-UHFFFAOYSA-N 1 3 248.374 1.757 20 0 BDADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC000182215708 385434356 /nfs/dbraw/zinc/43/43/56/385434356.db2.gz SHSOXAKXSQBCLE-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC000182215708 385434359 /nfs/dbraw/zinc/43/43/59/385434359.db2.gz SHSOXAKXSQBCLE-VXGBXAGGSA-N 1 3 214.353 1.295 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000309354279 385546479 /nfs/dbraw/zinc/54/64/79/385546479.db2.gz NTFXIMITUYGZCR-FZMZJTMJSA-N 1 3 218.344 1.728 20 0 BDADHO CCN(CC)CCC[NH2+]CC[C@H]1CCOC1 ZINC000309479663 385605069 /nfs/dbraw/zinc/60/50/69/385605069.db2.gz SRQBONUUMYHTTB-ZDUSSCGKSA-N 1 3 228.380 1.735 20 0 BDADHO Cc1ccc(CNCC[C@H]2CCC[NH2+]C2)nc1 ZINC000414847812 385605335 /nfs/dbraw/zinc/60/53/35/385605335.db2.gz JQRCVELCCSIYBO-CYBMUJFWSA-N 1 3 233.359 1.869 20 0 BDADHO Fc1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000647789595 385618620 /nfs/dbraw/zinc/61/86/20/385618620.db2.gz HWZJSVGVSYOARE-NQBHXWOUSA-N 1 3 249.333 1.698 20 0 BDADHO C[C@H](NCCC[NH+](C)C)[C@H]1CCCO1 ZINC000122602147 385696396 /nfs/dbraw/zinc/69/63/96/385696396.db2.gz SDIWSHIGBCBRIN-WDEREUQCSA-N 1 3 200.326 1.095 20 0 BDADHO CN(C[C@H]1CCSC1)C1CC([NH3+])C1 ZINC000307223214 385668771 /nfs/dbraw/zinc/66/87/71/385668771.db2.gz RMIZAIDTXJWESO-XNWIYYODSA-N 1 3 200.351 1.161 20 0 BDADHO C[N@H+](C[C@H]1CCSC1)C1CC(N)C1 ZINC000307223214 385668773 /nfs/dbraw/zinc/66/87/73/385668773.db2.gz RMIZAIDTXJWESO-XNWIYYODSA-N 1 3 200.351 1.161 20 0 BDADHO C[N@@H+](C[C@H]1CCSC1)C1CC(N)C1 ZINC000307223214 385668778 /nfs/dbraw/zinc/66/87/78/385668778.db2.gz RMIZAIDTXJWESO-XNWIYYODSA-N 1 3 200.351 1.161 20 0 BDADHO CC(C)[NH+]1CCC(N[C@H]2C[C@H](O)C2(C)C)CC1 ZINC000129222658 385740458 /nfs/dbraw/zinc/74/04/58/385740458.db2.gz SAMVTZULLWRYJN-STQMWFEESA-N 1 3 240.391 1.608 20 0 BDADHO CN1CC=C(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000309615185 385744849 /nfs/dbraw/zinc/74/48/49/385744849.db2.gz COVPQOMSAMBRLE-ZDUSSCGKSA-N 1 3 224.348 1.407 20 0 BDADHO CN(C)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000309648205 385767070 /nfs/dbraw/zinc/76/70/70/385767070.db2.gz MZPKXGUHUDYNGI-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000309648205 385767076 /nfs/dbraw/zinc/76/70/76/385767076.db2.gz MZPKXGUHUDYNGI-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO CN(C)CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309648205 385767080 /nfs/dbraw/zinc/76/70/80/385767080.db2.gz MZPKXGUHUDYNGI-UPJWGTAASA-N 1 3 225.380 1.010 20 0 BDADHO CNCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000414857255 385724020 /nfs/dbraw/zinc/72/40/20/385724020.db2.gz CFSFBGFOVFXRCC-NSHDSACASA-N 1 3 214.353 1.391 20 0 BDADHO COC[C@]1(CN[C@@H]2CCC[C@H]2C)CCC[NH2+]1 ZINC000414945311 385800836 /nfs/dbraw/zinc/80/08/36/385800836.db2.gz PZQOJFXGGLCZMY-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C)CCO1 ZINC000414950200 385817383 /nfs/dbraw/zinc/81/73/83/385817383.db2.gz FZXMFPLQYGYRMW-REWJHTLYSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)CN(C)C ZINC000336737792 385822010 /nfs/dbraw/zinc/82/20/10/385822010.db2.gz JRNWDGQNTHPWOD-UPJWGTAASA-N 1 3 227.396 1.114 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)CN(C)C ZINC000336737791 385823105 /nfs/dbraw/zinc/82/31/05/385823105.db2.gz JRNWDGQNTHPWOD-JHJVBQTASA-N 1 3 227.396 1.114 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)CO1 ZINC000647804809 385839059 /nfs/dbraw/zinc/83/90/59/385839059.db2.gz ZYHHOMSGCGHXDN-WISYIIOYSA-N 1 3 212.337 1.142 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CCC[NH2+]1 ZINC000647804545 385841436 /nfs/dbraw/zinc/84/14/36/385841436.db2.gz UANPTJLPGMHWBC-JZRPKSSGSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CCCN1 ZINC000647804545 385841439 /nfs/dbraw/zinc/84/14/39/385841439.db2.gz UANPTJLPGMHWBC-JZRPKSSGSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]1SCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000647804410 385841553 /nfs/dbraw/zinc/84/15/53/385841553.db2.gz PYFLYCFFYYAVSE-LAVVOLMRSA-N 1 3 226.389 1.753 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc2c1NCC2 ZINC000414870654 385849347 /nfs/dbraw/zinc/84/93/47/385849347.db2.gz CCCCUOAITXUDEI-JTQLQIEISA-N 1 3 219.332 1.339 20 0 BDADHO C[C@@H](CN)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000414870824 385851004 /nfs/dbraw/zinc/85/10/04/385851004.db2.gz CORCOXBOLRCHED-UBHSHLNASA-N 1 3 218.344 1.975 20 0 BDADHO CCc1ncc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000647798670 385797713 /nfs/dbraw/zinc/79/77/13/385797713.db2.gz VJKWEEPBWDVEDJ-GRYCIOLGSA-N 1 3 249.358 1.715 20 0 BDADHO CC(C)n1ccc(C[C@H](C)NC[C@@H](C)C[NH3+])n1 ZINC000414876552 385909698 /nfs/dbraw/zinc/90/96/98/385909698.db2.gz LNUPJGBKGLBTKW-RYUDHWBXSA-N 1 3 238.379 1.579 20 0 BDADHO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H](C)CN)n1 ZINC000414876552 385909699 /nfs/dbraw/zinc/90/96/99/385909699.db2.gz LNUPJGBKGLBTKW-RYUDHWBXSA-N 1 3 238.379 1.579 20 0 BDADHO C[C@]1(CN2CCN3CCCC[C@H]3C2)CC[NH2+]C1 ZINC000250815482 385926923 /nfs/dbraw/zinc/92/69/23/385926923.db2.gz WVLSQKIHKONWAE-KBPBESRZSA-N 1 3 237.391 1.156 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](N)c1ccccc1 ZINC000262575476 385862541 /nfs/dbraw/zinc/86/25/41/385862541.db2.gz JDYUJGKJNTURTQ-OCCSQVGLSA-N 1 3 249.358 1.320 20 0 BDADHO COC[C@]1(C[NH2+]C2CC(C)C2)CCCN1 ZINC000414959265 385873863 /nfs/dbraw/zinc/87/38/63/385873863.db2.gz SFMGQWWDIXDBCQ-HTAVTVPLSA-N 1 3 212.337 1.143 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CC[C@H]2CCCCO2)C1 ZINC000647827193 385875099 /nfs/dbraw/zinc/87/50/99/385875099.db2.gz VRZCSGFFYLMHKL-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000647827193 385875101 /nfs/dbraw/zinc/87/51/01/385875101.db2.gz VRZCSGFFYLMHKL-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000647827193 385875103 /nfs/dbraw/zinc/87/51/03/385875103.db2.gz VRZCSGFFYLMHKL-QWHCGFSZSA-N 1 3 226.364 1.616 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000228557898 385877895 /nfs/dbraw/zinc/87/78/95/385877895.db2.gz WSAWIJNFIBIFSG-DCAQKATOSA-N 1 3 214.378 1.457 20 0 BDADHO CN(C)Cc1cccc(C[NH2+]CC2(C)COC2)c1 ZINC000285592223 385946235 /nfs/dbraw/zinc/94/62/35/385946235.db2.gz XRXGOKCZOYROMR-UHFFFAOYSA-N 1 3 248.370 1.874 20 0 BDADHO CC[NH+](CC)CCCN(C)C[C@H]1C[C@@H](O)C1 ZINC000643250833 385955735 /nfs/dbraw/zinc/95/57/35/385955735.db2.gz NUNRXBYWRCVPKZ-BETUJISGSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000643250833 385955743 /nfs/dbraw/zinc/95/57/43/385955743.db2.gz NUNRXBYWRCVPKZ-BETUJISGSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)CCC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000643250833 385955744 /nfs/dbraw/zinc/95/57/44/385955744.db2.gz NUNRXBYWRCVPKZ-BETUJISGSA-N 1 3 228.380 1.421 20 0 BDADHO COC1(C[NH2+]C[C@@H]2CCCNC2)CCCC1 ZINC000309487794 386011939 /nfs/dbraw/zinc/01/19/39/386011939.db2.gz HFCDPPYBLPNEHH-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO COC1(CNC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000309487794 386011942 /nfs/dbraw/zinc/01/19/42/386011942.db2.gz HFCDPPYBLPNEHH-GFCCVEGCSA-N 1 3 226.364 1.535 20 0 BDADHO CN(C[C@H](O)C[NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000336753424 386023812 /nfs/dbraw/zinc/02/38/12/386023812.db2.gz WHUOGMQLKARIIQ-VHSXEESVSA-N 1 3 236.306 1.063 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000237007816 259680423 /nfs/dbraw/zinc/68/04/23/259680423.db2.gz QGVUFAYQTURSRV-ZWNOBZJWSA-N 1 3 249.358 1.718 20 0 BDADHO Cc1nc(CNCC[C@@H]2CCC[NH2+]C2)cs1 ZINC000054309202 386117629 /nfs/dbraw/zinc/11/76/29/386117629.db2.gz SPXIELFEQODXTP-NSHDSACASA-N 1 3 239.388 1.931 20 0 BDADHO CO[C@H](C)[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000336753533 386063850 /nfs/dbraw/zinc/06/38/50/386063850.db2.gz GXPPLVZSPYUQFS-WDEREUQCSA-N 1 3 212.337 1.261 20 0 BDADHO CC[C@@H]([NH3+])CN[C@@H](C)Cc1ccccc1OC ZINC000414982263 386065412 /nfs/dbraw/zinc/06/54/12/386065412.db2.gz CNTFSNPUYVRCGS-WCQYABFASA-N 1 3 236.359 1.953 20 0 BDADHO CO[C@H](C)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404144 386077316 /nfs/dbraw/zinc/07/73/16/386077316.db2.gz OUJYRWYDGFKLSK-VXGBXAGGSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@H](C)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404144 386077323 /nfs/dbraw/zinc/07/73/23/386077323.db2.gz OUJYRWYDGFKLSK-VXGBXAGGSA-N 1 3 214.353 1.437 20 0 BDADHO COCc1cccc(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000414894751 386179998 /nfs/dbraw/zinc/17/99/98/386179998.db2.gz LQCODWAAQIQFHE-AWEZNQCLSA-N 1 3 234.343 1.660 20 0 BDADHO [NH3+]CCCN(CCO)[C@@H]1CCc2ccccc21 ZINC000414692698 386183152 /nfs/dbraw/zinc/18/31/52/386183152.db2.gz KVSICMFXBXAMOP-CQSZACIVSA-N 1 3 234.343 1.317 20 0 BDADHO [NH3+][C@H](CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000414890735 386130431 /nfs/dbraw/zinc/13/04/31/386130431.db2.gz MZTXKRQNDJWUAF-LPWJVIDDSA-N 1 3 236.359 1.271 20 0 BDADHO CN(C[C@@H]1CC[NH2+]C1)C1Cc2ccccc2C1 ZINC000647881635 386212116 /nfs/dbraw/zinc/21/21/16/386212116.db2.gz XNDCZTMOHWKTMJ-GFCCVEGCSA-N 1 3 230.355 1.695 20 0 BDADHO CC[N@H+](CCOC)CC[C@@H]1CCCN1C ZINC000336643895 386242862 /nfs/dbraw/zinc/24/28/62/386242862.db2.gz FASCGJODYGCFBN-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CC[N@@H+](CCOC)CC[C@@H]1CCCN1C ZINC000336643895 386242868 /nfs/dbraw/zinc/24/28/68/386242868.db2.gz FASCGJODYGCFBN-LBPRGKRZSA-N 1 3 214.353 1.439 20 0 BDADHO CC[C@H](O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000339126524 386251542 /nfs/dbraw/zinc/25/15/42/386251542.db2.gz YXMMLEPQTZSFRR-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000339126524 386251547 /nfs/dbraw/zinc/25/15/47/386251547.db2.gz YXMMLEPQTZSFRR-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000339126524 386251557 /nfs/dbraw/zinc/25/15/57/386251557.db2.gz YXMMLEPQTZSFRR-NEPJUHHUSA-N 1 3 214.353 1.173 20 0 BDADHO CC[C@@H]1C[C@@H](CN2CCC([NH2+]C)CC2)CCO1 ZINC000347140054 386256817 /nfs/dbraw/zinc/25/68/17/386256817.db2.gz WAJCXGKJWXBESZ-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH+]2CCC(NC)CC2)CCO1 ZINC000347140054 386256821 /nfs/dbraw/zinc/25/68/21/386256821.db2.gz WAJCXGKJWXBESZ-GXTWGEPZSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000415005172 386297839 /nfs/dbraw/zinc/29/78/39/386297839.db2.gz ISGCDIBWIVWTAS-GHMZBOCLSA-N 1 3 245.330 1.093 20 0 BDADHO CCO[C@@H]1C[C@H](N(C)C[C@H]2CC[NH2+]C2)C1(C)C ZINC000647886671 386300231 /nfs/dbraw/zinc/30/02/31/386300231.db2.gz HDTOPBWGMPDFNO-RWMBFGLXSA-N 1 3 240.391 1.731 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCC([C@@H]2CCCO2)CC1 ZINC000647988759 386318421 /nfs/dbraw/zinc/31/84/21/386318421.db2.gz IGFJSTFNIFFJTI-OCCSQVGLSA-N 1 3 238.375 1.487 20 0 BDADHO CN1CCC[C@H]2C[N@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277174 386340257 /nfs/dbraw/zinc/34/02/57/386340257.db2.gz DCHLUXBCKKIRRF-STQMWFEESA-N 1 3 238.375 1.318 20 0 BDADHO CN1CCC[C@H]2C[N@@H+](CC3(O)CCC3)CC[C@@H]21 ZINC000335277174 386340261 /nfs/dbraw/zinc/34/02/61/386340261.db2.gz DCHLUXBCKKIRRF-STQMWFEESA-N 1 3 238.375 1.318 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CCC[C@]2(CCCOC2)C1 ZINC000647888187 386341700 /nfs/dbraw/zinc/34/17/00/386341700.db2.gz YBGXHYDCAGNJES-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO CC1(C)[C@@H](NCC[C@H]2CCC[NH2+]2)[C@@H]2CCO[C@@H]21 ZINC000414904918 386360029 /nfs/dbraw/zinc/36/00/29/386360029.db2.gz MVEUWZUUEZPYNJ-VOAKCMCISA-N 1 3 238.375 1.532 20 0 BDADHO C(OC1CCN(C[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000647890007 386362031 /nfs/dbraw/zinc/36/20/31/386362031.db2.gz FJALMQSSBSYOQU-CYBMUJFWSA-N 1 3 238.375 1.487 20 0 BDADHO CC[C@H](C(=O)N1CCC[C@H]([NH3+])C1)N(CC)CC ZINC000347362624 386364524 /nfs/dbraw/zinc/36/45/24/386364524.db2.gz CJMUAVZVOHSXMF-NWDGAFQWSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@@H](COC)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414906209 386371559 /nfs/dbraw/zinc/37/15/59/386371559.db2.gz MFIUHUWLXZVAHY-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CC[C@@H](COC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414906209 386371561 /nfs/dbraw/zinc/37/15/61/386371561.db2.gz MFIUHUWLXZVAHY-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCOC1 ZINC000336718827 386445273 /nfs/dbraw/zinc/44/52/73/386445273.db2.gz XIGIDLCRUHVMAK-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCOC1 ZINC000336718827 386445277 /nfs/dbraw/zinc/44/52/77/386445277.db2.gz XIGIDLCRUHVMAK-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@@H](O)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000336703725 386390954 /nfs/dbraw/zinc/39/09/54/386390954.db2.gz BQJAMSMSJSVKOC-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](O)CC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000336703725 386390958 /nfs/dbraw/zinc/39/09/58/386390958.db2.gz BQJAMSMSJSVKOC-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO COC[C@H]1CCCC[N@H+](CCCN)C1 ZINC000414754053 386391559 /nfs/dbraw/zinc/39/15/59/386391559.db2.gz FOGTYWQLMTZVAD-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO COC[C@H]1CCCC[N@@H+](CCCN)C1 ZINC000414754053 386391560 /nfs/dbraw/zinc/39/15/60/386391560.db2.gz FOGTYWQLMTZVAD-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO CC[C@](C)(CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336704236 386393469 /nfs/dbraw/zinc/39/34/69/386393469.db2.gz PTAFEPPPCQQHOD-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336704236 386393471 /nfs/dbraw/zinc/39/34/71/386393471.db2.gz PTAFEPPPCQQHOD-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@](C)(CO)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000336704236 386393473 /nfs/dbraw/zinc/39/34/73/386393473.db2.gz PTAFEPPPCQQHOD-FRRDWIJNSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1(C)CC1 ZINC000336732533 386400251 /nfs/dbraw/zinc/40/02/51/386400251.db2.gz FXZPNPAISJVLMO-NSHDSACASA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1NC[C@H]1CC[NH2+]C1 ZINC000647992257 386451431 /nfs/dbraw/zinc/45/14/31/386451431.db2.gz YDSSBHHKPOZCPP-IHRRRGAJSA-N 1 3 240.391 1.779 20 0 BDADHO c1ccc2c(c1)nccc2NC[C@@H]1C[NH2+]CCO1 ZINC000134273891 386405975 /nfs/dbraw/zinc/40/59/75/386405975.db2.gz PDCBDHYPQGPDKB-NSHDSACASA-N 1 3 243.310 1.635 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@@H](CN)C[C@H]2C)cn1 ZINC000339407085 386410201 /nfs/dbraw/zinc/41/02/01/386410201.db2.gz KWWDFFBUYCNOTN-UKRRQHHQSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@@H](CN)C[C@H]2C)cn1 ZINC000339407085 386410205 /nfs/dbraw/zinc/41/02/05/386410205.db2.gz KWWDFFBUYCNOTN-UKRRQHHQSA-N 1 3 247.386 1.992 20 0 BDADHO Cc1ccc(CCCN2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000339407085 386410214 /nfs/dbraw/zinc/41/02/14/386410214.db2.gz KWWDFFBUYCNOTN-UKRRQHHQSA-N 1 3 247.386 1.992 20 0 BDADHO Oc1cccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009333 386418277 /nfs/dbraw/zinc/41/82/77/386418277.db2.gz NWSMLEOQQORFRS-LSDHHAIUSA-N 1 3 246.354 1.870 20 0 BDADHO C[C@H](O)CCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339427789 386420518 /nfs/dbraw/zinc/42/05/18/386420518.db2.gz BOZFJUJYPPSTQH-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H](O)CCCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339427789 386420520 /nfs/dbraw/zinc/42/05/20/386420520.db2.gz BOZFJUJYPPSTQH-KBPBESRZSA-N 1 3 240.391 1.565 20 0 BDADHO CN(CC[C@H]1CCCC[N@@H+]1C)CC1(O)CCC1 ZINC000336713548 386431112 /nfs/dbraw/zinc/43/11/12/386431112.db2.gz PUHPKFMATMKKQU-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CN(CC[C@H]1CCCC[N@H+]1C)CC1(O)CCC1 ZINC000336713548 386431115 /nfs/dbraw/zinc/43/11/15/386431115.db2.gz PUHPKFMATMKKQU-CYBMUJFWSA-N 1 3 240.391 1.708 20 0 BDADHO CC(C)(C)[NH2+]CCN1CCNC[C@@](C)(F)C1 ZINC000414775707 386475056 /nfs/dbraw/zinc/47/50/56/386475056.db2.gz MNVADFQXHZCMIO-GFCCVEGCSA-N 1 3 231.359 1.008 20 0 BDADHO Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000335365190 386477043 /nfs/dbraw/zinc/47/70/43/386477043.db2.gz ZCSLSGGQAOQCDP-QWHCGFSZSA-N 1 3 219.332 1.547 20 0 BDADHO Cc1ncsc1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000391204693 386480642 /nfs/dbraw/zinc/48/06/42/386480642.db2.gz ZHADTGRMVYDSQH-MNOVXSKESA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncsc1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000391204693 386480647 /nfs/dbraw/zinc/48/06/47/386480647.db2.gz ZHADTGRMVYDSQH-MNOVXSKESA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncsc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000391204692 386481353 /nfs/dbraw/zinc/48/13/53/386481353.db2.gz ZHADTGRMVYDSQH-GHMZBOCLSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1ncsc1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000391204692 386481359 /nfs/dbraw/zinc/48/13/59/386481359.db2.gz ZHADTGRMVYDSQH-GHMZBOCLSA-N 1 3 239.388 1.711 20 0 BDADHO CC1(C)NCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000415042989 386528940 /nfs/dbraw/zinc/52/89/40/386528940.db2.gz RADUBOQFRVTKTN-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]1C[C@H]1C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414780330 386495196 /nfs/dbraw/zinc/49/51/96/386495196.db2.gz LIKUCWYIHKKDKM-AGIUHOORSA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H]1C[C@H]1C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000414780330 386495201 /nfs/dbraw/zinc/49/52/01/386495201.db2.gz LIKUCWYIHKKDKM-AGIUHOORSA-N 1 3 238.375 1.330 20 0 BDADHO C[C@@H](CCC[NH3+])NCc1nc2ccccc2n1C ZINC000415016481 386502225 /nfs/dbraw/zinc/50/22/25/386502225.db2.gz CIAPJUDAHJMBOJ-NSHDSACASA-N 1 3 246.358 1.790 20 0 BDADHO C[C@H](CCC[NH3+])[NH2+]Cc1cc([O-])cc(F)c1 ZINC000415017787 386502454 /nfs/dbraw/zinc/50/24/54/386502454.db2.gz GCXCVLSCEVAPFI-SECBINFHSA-N 1 3 226.295 1.748 20 0 BDADHO CCc1nc(CN[C@@H]2CC[C@H](C[NH3+])C2)cs1 ZINC000415044471 386529728 /nfs/dbraw/zinc/52/97/28/386529728.db2.gz SRPABBULEBVJLW-VHSXEESVSA-N 1 3 239.388 1.923 20 0 BDADHO Cn1ncc(Cl)c1CN[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415051899 386509182 /nfs/dbraw/zinc/50/91/82/386509182.db2.gz ZZBGAFYEXSDVIX-DTWKUNHWSA-N 1 3 242.754 1.291 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415033997 386521217 /nfs/dbraw/zinc/52/12/17/386521217.db2.gz JITPPCPISYQULP-FHUSYTEZSA-N 1 3 208.349 1.620 20 0 BDADHO C[C@@H](CCc1ccc(F)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037667 386523341 /nfs/dbraw/zinc/52/33/41/386523341.db2.gz NAELLECIRUOMKD-BSLXNSKLSA-N 1 3 248.345 1.954 20 0 BDADHO C(C[C@H]1CCOC1)N[C@@H]1CCCC[NH2+]C1 ZINC000415076240 386579437 /nfs/dbraw/zinc/57/94/37/386579437.db2.gz RWHFNQODAPUKNF-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CCN1CCCC[C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000415083292 386595124 /nfs/dbraw/zinc/59/51/24/386595124.db2.gz PQMJGMSTQHUKGS-ZIAGYGMSSA-N 1 3 239.407 1.450 20 0 BDADHO CCCC[C@H](COC)[NH2+]C[C@H]1CNCCCO1 ZINC000415045154 386532065 /nfs/dbraw/zinc/53/20/65/386532065.db2.gz SPTJHFXFGLEKMW-CHWSQXEVSA-N 1 3 244.379 1.160 20 0 BDADHO CC(C)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000062911263 386532341 /nfs/dbraw/zinc/53/23/41/386532341.db2.gz YAAJZYXOEXTJTE-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO COCC(C)(C)C[NH2+]C[C@@]1(C)CCCNC1 ZINC000414917289 386533115 /nfs/dbraw/zinc/53/31/15/386533115.db2.gz RDYIQROEDWYCFQ-ZDUSSCGKSA-N 1 3 228.380 1.638 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1C ZINC000415054111 386537747 /nfs/dbraw/zinc/53/77/47/386537747.db2.gz FDMSCGIGXIAPPN-PTEOKISQSA-N 1 3 208.349 1.619 20 0 BDADHO CC[C@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415057912 386538605 /nfs/dbraw/zinc/53/86/05/386538605.db2.gz HMDRKUCFZVKHEH-OBPIAQAESA-N 1 3 208.349 1.763 20 0 BDADHO C[C@@H](Cc1ccccc1)CN(C)C[C@@H](O)C[NH3+] ZINC000415068005 386552444 /nfs/dbraw/zinc/55/24/44/386552444.db2.gz LXWYNIGBTQBTJK-JSGCOSHPSA-N 1 3 236.359 1.117 20 0 BDADHO C[C@@H](CCN(C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000415072568 386563412 /nfs/dbraw/zinc/56/34/12/386563412.db2.gz WUSWUYDDFLREDZ-GXTWGEPZSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@@H](CC[N@H+](C)C[C@H](O)CN)c1ccccc1 ZINC000415072568 386563418 /nfs/dbraw/zinc/56/34/18/386563418.db2.gz WUSWUYDDFLREDZ-GXTWGEPZSA-N 1 3 236.359 1.432 20 0 BDADHO C[C@@H](CC[N@@H+](C)C[C@H](O)CN)c1ccccc1 ZINC000415072568 386563429 /nfs/dbraw/zinc/56/34/29/386563429.db2.gz WUSWUYDDFLREDZ-GXTWGEPZSA-N 1 3 236.359 1.432 20 0 BDADHO CCC(CC)(CCO)CNC[C@@]1(C)CC[NH2+]C1 ZINC000415075955 386571924 /nfs/dbraw/zinc/57/19/24/386571924.db2.gz BWCREUGFZBLXBT-ZDUSSCGKSA-N 1 3 242.407 1.764 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H](O)CC1 ZINC000339779888 386628631 /nfs/dbraw/zinc/62/86/31/386628631.db2.gz MPQQZDVBIHETGP-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H](O)CC1 ZINC000339779888 386628636 /nfs/dbraw/zinc/62/86/36/386628636.db2.gz MPQQZDVBIHETGP-ZDUSSCGKSA-N 1 3 228.380 1.565 20 0 BDADHO Cc1ccc(C[C@@H](CO)[NH2+]C2CCNCC2)cc1 ZINC000415115996 386629782 /nfs/dbraw/zinc/62/97/82/386629782.db2.gz YUSKZBOTZSKJBA-HNNXBMFYSA-N 1 3 248.370 1.240 20 0 BDADHO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000415139988 386638321 /nfs/dbraw/zinc/63/83/21/386638321.db2.gz MLGRUQRRYVFGLM-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@@H](CO)CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000415139988 386638325 /nfs/dbraw/zinc/63/83/25/386638325.db2.gz MLGRUQRRYVFGLM-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1[C@@H](CO)CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000415139988 386638332 /nfs/dbraw/zinc/63/83/32/386638332.db2.gz MLGRUQRRYVFGLM-JHJVBQTASA-N 1 3 226.364 1.079 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@H](C)COCC ZINC000414816340 386645359 /nfs/dbraw/zinc/64/53/59/386645359.db2.gz PMJXYLPSGDOHAW-MNOVXSKESA-N 1 3 202.342 1.519 20 0 BDADHO C([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)[C@@H]1CCCNC1 ZINC000415091792 386609453 /nfs/dbraw/zinc/60/94/53/386609453.db2.gz QWVXIGOCAXUFGH-RQJABVFESA-N 1 3 238.375 1.533 20 0 BDADHO Cc1cn[nH]c1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000414807855 386611901 /nfs/dbraw/zinc/61/19/01/386611901.db2.gz RPNJBTPMTTYTEF-QWRGUYRKSA-N 1 3 222.336 1.325 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000335468116 386682898 /nfs/dbraw/zinc/68/28/98/386682898.db2.gz LDKVJQNAXFCYSV-NOZJJQNGSA-N 1 3 220.316 1.706 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCc1ccc2cncn2c1 ZINC000335530629 386677147 /nfs/dbraw/zinc/67/71/47/386677147.db2.gz AWNZLUPDCQLRET-CHWSQXEVSA-N 1 3 230.315 1.304 20 0 BDADHO CCCC[C@@H](C[NH3+])N[C@H](CC)COC ZINC000414816747 386658962 /nfs/dbraw/zinc/65/89/62/386658962.db2.gz QKMFIXLRIDDQGB-MNOVXSKESA-N 1 3 202.342 1.519 20 0 BDADHO C(C1CC1)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000042491259 386684926 /nfs/dbraw/zinc/68/49/26/386684926.db2.gz DCXFOENXZGGJLQ-CQSZACIVSA-N 1 3 237.391 1.014 20 0 BDADHO CCCC[C@H](COC)NCC[C@H](C)[NH3+] ZINC000414825556 386691957 /nfs/dbraw/zinc/69/19/57/386691957.db2.gz TTWBIGLVDSYGJN-WDEREUQCSA-N 1 3 202.342 1.519 20 0 BDADHO Cc1n[nH]c(C)c1CN1CCC([C@H](C)[NH3+])CC1 ZINC000335480716 386707275 /nfs/dbraw/zinc/70/72/75/386707275.db2.gz OURIRDNRUZEJMO-VIFPVBQESA-N 1 3 236.363 1.586 20 0 BDADHO C[C@H](N[C@@H]1CCCc2cc(N)ccc21)C1C[NH2+]C1 ZINC000335480958 386707856 /nfs/dbraw/zinc/70/78/56/386707856.db2.gz OMWXPQCEMDPECQ-ZUZCIYMTSA-N 1 3 245.370 1.844 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)C1CNC1 ZINC000335480958 386707862 /nfs/dbraw/zinc/70/78/62/386707862.db2.gz OMWXPQCEMDPECQ-ZUZCIYMTSA-N 1 3 245.370 1.844 20 0 BDADHO CC[NH2+]CCNC[C@@H](C)CC1CCOCC1 ZINC000414837438 386734280 /nfs/dbraw/zinc/73/42/80/386734280.db2.gz XKOTWCUHYANQQW-LBPRGKRZSA-N 1 3 228.380 1.638 20 0 BDADHO C1CC1[C@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000335483602 386713004 /nfs/dbraw/zinc/71/30/04/386713004.db2.gz ORXWETOVCJOJFX-OLZOCXBDSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](Cn1cccn1)[NH2+]CC1(N)CCCCC1 ZINC000414838801 386740221 /nfs/dbraw/zinc/74/02/21/386740221.db2.gz IRRPFVLOCCGGHG-GFCCVEGCSA-N 1 3 236.363 1.523 20 0 BDADHO C[C@H]1CCC[C@@H]1[NH2+]CCCN(C)CCN(C)C ZINC000623087812 386724254 /nfs/dbraw/zinc/72/42/54/386724254.db2.gz JOQWKUWIDPCZEK-KBPBESRZSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H]1CC2(CN1Cc1nccn1C)CC[NH2+]CC2 ZINC000335543947 386727903 /nfs/dbraw/zinc/72/79/03/386727903.db2.gz NVHWXGPTBRPXEZ-GFCCVEGCSA-N 1 3 248.374 1.384 20 0 BDADHO CC[C@@H](COC)N[C@H](C[NH3+])CC(C)C ZINC000414840096 386746802 /nfs/dbraw/zinc/74/68/02/386746802.db2.gz MGNHPSLKPZHIFU-QWRGUYRKSA-N 1 3 202.342 1.374 20 0 BDADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCCSC1 ZINC000414840811 386751941 /nfs/dbraw/zinc/75/19/41/386751941.db2.gz NMNPIMOBNFTWSD-NXEZZACHSA-N 1 3 202.367 1.327 20 0 BDADHO CNC[C@@H](C)C[NH2+][C@@H]1CCCSC1 ZINC000414840811 386751945 /nfs/dbraw/zinc/75/19/45/386751945.db2.gz NMNPIMOBNFTWSD-NXEZZACHSA-N 1 3 202.367 1.327 20 0 BDADHO COCc1ccc(C[NH2+][C@@H]2CNCC[C@@H]2C)cc1 ZINC000414931563 386764387 /nfs/dbraw/zinc/76/43/87/386764387.db2.gz QEJVJOARNUUMOL-SWLSCSKDSA-N 1 3 248.370 1.921 20 0 BDADHO COC[C@@H]([NH2+]CC1=CCN(C)CC1)C(C)C ZINC000336761488 386764995 /nfs/dbraw/zinc/76/49/95/386764995.db2.gz KOIIQQSHFBUTNO-CYBMUJFWSA-N 1 3 226.364 1.509 20 0 BDADHO CC[C@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357361145 386766993 /nfs/dbraw/zinc/76/69/93/386766993.db2.gz DVJYMPGFSAGPJP-LBPRGKRZSA-N 1 3 241.379 1.091 20 0 BDADHO [NH3+]CC[C@H]1CCCN(Cc2ccccn2)C1 ZINC000020439804 386794913 /nfs/dbraw/zinc/79/49/13/386794913.db2.gz KVSXYXMZLSWKBW-GFCCVEGCSA-N 1 3 219.332 1.642 20 0 BDADHO CC[C@@H]1C[C@@H](C[NH2+]C2(C)CCNCC2)CCO1 ZINC000414936114 386821731 /nfs/dbraw/zinc/82/17/31/386821731.db2.gz GOPQDPZPZPODIV-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H]1CCC[C@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000334787863 386849415 /nfs/dbraw/zinc/84/94/15/386849415.db2.gz YPSNOVMPDQIKDL-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@H]1CCC[C@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000334787863 386849417 /nfs/dbraw/zinc/84/94/17/386849417.db2.gz YPSNOVMPDQIKDL-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000334845288 386891776 /nfs/dbraw/zinc/89/17/76/386891776.db2.gz FDHXNJDUHJFVQS-GMKTYKIGSA-N 1 3 226.364 1.804 20 0 BDADHO COC1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000334845290 386892159 /nfs/dbraw/zinc/89/21/59/386892159.db2.gz FDHXNJDUHJFVQS-IGJPJIBNSA-N 1 3 226.364 1.804 20 0 BDADHO Cc1ncccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334845196 386892735 /nfs/dbraw/zinc/89/27/35/386892735.db2.gz JOFPFTFREVLZSF-CHWSQXEVSA-N 1 3 219.332 1.750 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]CC1(N)CCCCCC1 ZINC000334835861 386877045 /nfs/dbraw/zinc/87/70/45/386877045.db2.gz BIMKXCBROKKOOR-RYUDHWBXSA-N 1 3 226.364 1.805 20 0 BDADHO COC(=O)[C@H]1CC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC000331664599 386878626 /nfs/dbraw/zinc/87/86/26/386878626.db2.gz QUDVBWWNNGTRIX-QJPTWQEYSA-N 1 3 240.347 1.060 20 0 BDADHO C[C@@H](NC1CC[NH2+]CC1)[C@H]1COc2ccccc21 ZINC000334848843 386896731 /nfs/dbraw/zinc/89/67/31/386896731.db2.gz LVDLNYHEIKJFPG-BXUZGUMPSA-N 1 3 246.354 1.893 20 0 BDADHO C[C@@H]([NH2+]C1CCNCC1)[C@H]1COc2ccccc21 ZINC000334848843 386896736 /nfs/dbraw/zinc/89/67/36/386896736.db2.gz LVDLNYHEIKJFPG-BXUZGUMPSA-N 1 3 246.354 1.893 20 0 BDADHO C[C@@H](CN[C@@H](C)C[NH3+])c1ccc(F)cc1 ZINC000414943083 386896908 /nfs/dbraw/zinc/89/69/08/386896908.db2.gz LJUFRBHWBFWJER-UWVGGRQHSA-N 1 3 210.296 1.866 20 0 BDADHO CC[C@H](O)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000331903129 386924018 /nfs/dbraw/zinc/92/40/18/386924018.db2.gz FJMLYWRIQJIRDM-TUAOUCFPSA-N 1 3 214.353 1.397 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2cccnc2)C1 ZINC000161708997 386927448 /nfs/dbraw/zinc/92/74/48/386927448.db2.gz JVPXDOPBNYMPKD-YPMHNXCESA-N 1 3 219.332 1.293 20 0 BDADHO CS[C@H]1CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000425353842 386963549 /nfs/dbraw/zinc/96/35/49/386963549.db2.gz NJYSVHUZTDGBFC-NEPJUHHUSA-N 1 3 226.389 1.732 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+]1CCOCC2(CC2)C1 ZINC000334898500 386972841 /nfs/dbraw/zinc/97/28/41/386972841.db2.gz IAOOHEGOHZJTFQ-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC[C@H]1CC[N@H+]1CCOCC2(CC2)C1 ZINC000334898500 386972843 /nfs/dbraw/zinc/97/28/43/386972843.db2.gz IAOOHEGOHZJTFQ-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CCCCN1 ZINC000332644899 386996335 /nfs/dbraw/zinc/99/63/35/386996335.db2.gz SJHJZITWOZNBSS-RAIGVLPGSA-N 1 3 248.374 1.387 20 0 BDADHO Cc1cn[nH]c1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000334820661 386949799 /nfs/dbraw/zinc/94/97/99/386949799.db2.gz MECNUFBBIDXEOP-ONGXEEELSA-N 1 3 222.336 1.135 20 0 BDADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1CCC[NH2+]C1 ZINC000334820764 386949886 /nfs/dbraw/zinc/94/98/86/386949886.db2.gz TUBDEWILTSGPAQ-UKRRQHHQSA-N 1 3 245.370 1.215 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369654303 387057365 /nfs/dbraw/zinc/05/73/65/387057365.db2.gz CPUYYNNVOGNHHE-XJFOESAGSA-N 1 3 238.375 1.173 20 0 BDADHO CC[C@H](O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369654303 387057370 /nfs/dbraw/zinc/05/73/70/387057370.db2.gz CPUYYNNVOGNHHE-XJFOESAGSA-N 1 3 238.375 1.173 20 0 BDADHO C[C@H](CN1CCCCC1)NC(=O)CC[C@H](C)[NH3+] ZINC000070315026 387063833 /nfs/dbraw/zinc/06/38/33/387063833.db2.gz QROIDWRQEBUHEL-NWDGAFQWSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](N[C@@H]1CC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000333241590 387023588 /nfs/dbraw/zinc/02/35/88/387023588.db2.gz DYVPCAXTRPDTFZ-NNYUYHANSA-N 1 3 239.363 1.811 20 0 BDADHO CCN(CC)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000341691962 387028069 /nfs/dbraw/zinc/02/80/69/387028069.db2.gz CYSIYUXKVLCUKT-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CCCCN1 ZINC000333344067 387028166 /nfs/dbraw/zinc/02/81/66/387028166.db2.gz YTPWISBWASLALW-DRZSPHRISA-N 1 3 248.374 1.387 20 0 BDADHO CCc1ccc(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359326167 387085526 /nfs/dbraw/zinc/08/55/26/387085526.db2.gz WZPRHYYPFSEPKD-HZPDHXFCSA-N 1 3 244.382 1.943 20 0 BDADHO C1C[C@]2(CS1)CCC[N@@H+](C1CCNCC1)C2 ZINC000335010168 387104217 /nfs/dbraw/zinc/10/42/17/387104217.db2.gz PBDVOUGJKKVQIB-CYBMUJFWSA-N 1 3 240.416 1.958 20 0 BDADHO C1C[C@]2(CS1)CCC[N@H+](C1CCNCC1)C2 ZINC000335010168 387104221 /nfs/dbraw/zinc/10/42/21/387104221.db2.gz PBDVOUGJKKVQIB-CYBMUJFWSA-N 1 3 240.416 1.958 20 0 BDADHO C1C[C@]2(CS1)CCCN(C1CC[NH2+]CC1)C2 ZINC000335010168 387104225 /nfs/dbraw/zinc/10/42/25/387104225.db2.gz PBDVOUGJKKVQIB-CYBMUJFWSA-N 1 3 240.416 1.958 20 0 BDADHO C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CNC1 ZINC000423300999 387132294 /nfs/dbraw/zinc/13/22/94/387132294.db2.gz GNHLAMLTRSZOFU-JHJVBQTASA-N 1 3 236.359 1.143 20 0 BDADHO C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423300999 387132296 /nfs/dbraw/zinc/13/22/96/387132296.db2.gz GNHLAMLTRSZOFU-JHJVBQTASA-N 1 3 236.359 1.143 20 0 BDADHO CC(C)[C@@H](NC[C@@H](C)C[NH3+])c1cccnc1 ZINC000423299410 387128738 /nfs/dbraw/zinc/12/87/38/387128738.db2.gz QCUVLMGNILGPPV-WCQYABFASA-N 1 3 221.348 1.963 20 0 BDADHO C[C@@H](NCC1=CC[NH2+]CC1)c1cccc(O)c1 ZINC000423344436 387192267 /nfs/dbraw/zinc/19/22/67/387192267.db2.gz MUPKBBOBSUNJKT-LLVKDONJSA-N 1 3 232.327 1.963 20 0 BDADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN)[C@@H]1C ZINC000423306530 387142303 /nfs/dbraw/zinc/14/23/03/387142303.db2.gz LPUFMOJXCDJZNZ-WYUUTHIRSA-N 1 3 242.363 1.149 20 0 BDADHO CCC[NH2+]CCN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423312175 387147760 /nfs/dbraw/zinc/14/77/60/387147760.db2.gz RKDYXFSBQPJKTA-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO C([NH2+]C(C1CCC1)C1CCC1)C1CNC1 ZINC000423312197 387147836 /nfs/dbraw/zinc/14/78/36/387147836.db2.gz CTXPNCGOQXHULN-UHFFFAOYSA-N 1 3 208.349 1.764 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000423312454 387149271 /nfs/dbraw/zinc/14/92/71/387149271.db2.gz VEZLMUKHUZKUKA-STQMWFEESA-N 1 3 235.375 1.977 20 0 BDADHO CCO[C@H]1C[C@H](NCC2C[NH2+]C2)C1(CC)CC ZINC000423300100 387133465 /nfs/dbraw/zinc/13/34/65/387133465.db2.gz DHELWANEVVCYBV-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO CCO[C@H]1C[C@H]([NH2+]CC2CNC2)C1(CC)CC ZINC000423300100 387133469 /nfs/dbraw/zinc/13/34/69/387133469.db2.gz DHELWANEVVCYBV-STQMWFEESA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]([NH2+]CC1CNC1)C1C(C)(C)C1(C)C ZINC000423302196 387135336 /nfs/dbraw/zinc/13/53/36/387135336.db2.gz JFWPJFOTBZYEOD-SECBINFHSA-N 1 3 210.365 1.866 20 0 BDADHO C[C@H](CN)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423305047 387140378 /nfs/dbraw/zinc/14/03/78/387140378.db2.gz KAJOYTAACUWRRW-FVCCEPFGSA-N 1 3 238.375 1.519 20 0 BDADHO C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)[C@@H](C)O1 ZINC000423356215 387208684 /nfs/dbraw/zinc/20/86/84/387208684.db2.gz JPAJQDISIGUYAO-KKOKHZNYSA-N 1 3 212.337 1.284 20 0 BDADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000336381655 387211182 /nfs/dbraw/zinc/21/11/82/387211182.db2.gz XNJQCYYDLLTLML-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000336381655 387211184 /nfs/dbraw/zinc/21/11/84/387211184.db2.gz XNJQCYYDLLTLML-QWHCGFSZSA-N 1 3 226.364 1.582 20 0 BDADHO CC(C)CO[C@@H]1C[C@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000423360996 387212580 /nfs/dbraw/zinc/21/25/80/387212580.db2.gz GKGVJPKEKJRYKH-SDDRHHMPSA-N 1 3 228.380 1.763 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1CSCCc2ccccc21 ZINC000423360343 387212918 /nfs/dbraw/zinc/21/29/18/387212918.db2.gz FIRJNQHPFAOAFF-GWCFXTLKSA-N 1 3 236.384 1.954 20 0 BDADHO CN1CCCC[C@@H]1CC[N@H+](C)C1CC(O)C1 ZINC000353498378 387215670 /nfs/dbraw/zinc/21/56/70/387215670.db2.gz VCELLXASVXWPAF-PNESKVBLSA-N 1 3 226.364 1.316 20 0 BDADHO CN1CCCC[C@@H]1CC[N@@H+](C)C1CC(O)C1 ZINC000353498378 387215673 /nfs/dbraw/zinc/21/56/73/387215673.db2.gz VCELLXASVXWPAF-PNESKVBLSA-N 1 3 226.364 1.316 20 0 BDADHO CO[C@@H]1[C@@H](C)[C@@H](NCC[C@H]2CCC[NH2+]2)C1(C)C ZINC000423364473 387216300 /nfs/dbraw/zinc/21/63/00/387216300.db2.gz OOTBVGFHSJWPNB-UMSGYPCISA-N 1 3 240.391 1.778 20 0 BDADHO C1CC([N@H+]2C[C@H]3[C@@H](CN4CCCC[C@@H]34)C2)C1 ZINC000371464175 387219427 /nfs/dbraw/zinc/21/94/27/387219427.db2.gz PHLILYKYWVXWME-UBHSHLNASA-N 1 3 220.360 1.955 20 0 BDADHO C1CC([N@@H+]2C[C@H]3[C@@H](CN4CCCC[C@@H]34)C2)C1 ZINC000371464175 387219430 /nfs/dbraw/zinc/21/94/30/387219430.db2.gz PHLILYKYWVXWME-UBHSHLNASA-N 1 3 220.360 1.955 20 0 BDADHO Cc1ncc(CNCCOCC[NH+](C)C)s1 ZINC000230004538 387223297 /nfs/dbraw/zinc/22/32/97/387223297.db2.gz PRDISVDAIOBFAS-UHFFFAOYSA-N 1 3 243.376 1.119 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H](C)CCCOC ZINC000423372983 387225559 /nfs/dbraw/zinc/22/55/59/387225559.db2.gz GMWLVPKJRJDYBB-WDEREUQCSA-N 1 3 202.342 1.389 20 0 BDADHO COCCCN(CCC[NH3+])Cc1ccccc1 ZINC000230030291 387229552 /nfs/dbraw/zinc/22/95/52/387229552.db2.gz SDEVBJKWOQZVMF-UHFFFAOYSA-N 1 3 236.359 1.874 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000423373288 387230227 /nfs/dbraw/zinc/23/02/27/387230227.db2.gz JCGRYNCUQGGILQ-XWUBHJNHSA-N 1 3 237.391 1.199 20 0 BDADHO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000393673904 387230669 /nfs/dbraw/zinc/23/06/69/387230669.db2.gz SCJOQYHKMRJNOF-NWDGAFQWSA-N 1 3 242.407 1.891 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000300709485 387238625 /nfs/dbraw/zinc/23/86/25/387238625.db2.gz GWWFJJGUSHFLBX-BFHYXJOUSA-N 1 3 242.407 1.891 20 0 BDADHO COC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)C(C)C ZINC000423403575 387239875 /nfs/dbraw/zinc/23/98/75/387239875.db2.gz YOZMGIPTIBMQMM-TUAOUCFPSA-N 1 3 214.353 1.388 20 0 BDADHO COC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000423403575 387239877 /nfs/dbraw/zinc/23/98/77/387239877.db2.gz YOZMGIPTIBMQMM-TUAOUCFPSA-N 1 3 214.353 1.388 20 0 BDADHO C[C@H](Cc1ccoc1)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423405833 387243185 /nfs/dbraw/zinc/24/31/85/387243185.db2.gz UBKXGZYHJRTWRO-LOWVWBTDSA-N 1 3 222.332 1.798 20 0 BDADHO C[C@H](Cc1ccoc1)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423405833 387243191 /nfs/dbraw/zinc/24/31/91/387243191.db2.gz UBKXGZYHJRTWRO-LOWVWBTDSA-N 1 3 222.332 1.798 20 0 BDADHO CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)C1CCC1 ZINC000423414579 387246427 /nfs/dbraw/zinc/24/64/27/387246427.db2.gz NERMOHBJMCANIO-ZIAGYGMSSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](O)CC[N@H+](C)CCCN1CCCC1 ZINC000120590155 387255786 /nfs/dbraw/zinc/25/57/86/387255786.db2.gz LUXXPNCMTHHOSC-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO C[C@H](O)CC[N@@H+](C)CCCN1CCCC1 ZINC000120590155 387255790 /nfs/dbraw/zinc/25/57/90/387255790.db2.gz LUXXPNCMTHHOSC-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO C1CC([C@H]2CC[C@@H]2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423469134 387317078 /nfs/dbraw/zinc/31/70/78/387317078.db2.gz YNDCKTUWZDAIST-BNDIWNMDSA-N 1 3 206.333 1.373 20 0 BDADHO C[C@H]([NH2+]Cc1ccc2c(c1)CNC2)[C@@H]1CCCO1 ZINC000423391157 387277016 /nfs/dbraw/zinc/27/70/16/387277016.db2.gz PKSPOKCJBYXZNT-NHYWBVRUSA-N 1 3 246.354 1.947 20 0 BDADHO Cc1cc(N)cc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000423469322 387318001 /nfs/dbraw/zinc/31/80/01/387318001.db2.gz CAASAQXUGICNHD-GHMZBOCLSA-N 1 3 221.348 1.793 20 0 BDADHO FCCC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423434776 387285612 /nfs/dbraw/zinc/28/56/12/387285612.db2.gz QPFRBXQDQDUEEH-IEECTRCBSA-N 1 3 226.339 1.712 20 0 BDADHO Cc1cc([C@@H](C)N[C@@H](C)CCCC[NH3+])nn1C ZINC000423437035 387286286 /nfs/dbraw/zinc/28/62/86/387286286.db2.gz QGQGDHAFSHCRDI-CMPLNLGQSA-N 1 3 238.379 1.897 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@H](CCO)c2ccccc2)C1 ZINC000514799064 387293903 /nfs/dbraw/zinc/29/39/03/387293903.db2.gz SQWYXVUCEQXAFL-RRFJBIMHSA-N 1 3 248.370 1.970 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1NCCc2ccccc21 ZINC000423447546 387296430 /nfs/dbraw/zinc/29/64/30/387296430.db2.gz ZVCULGLTHOOHBB-YWPYICTPSA-N 1 3 247.386 1.589 20 0 BDADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000423448936 387297856 /nfs/dbraw/zinc/29/78/56/387297856.db2.gz QVXJDTOPYYFKRQ-NGDQXYMTSA-N 1 3 224.348 1.269 20 0 BDADHO FCCC[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423458958 387306047 /nfs/dbraw/zinc/30/60/47/387306047.db2.gz QPFRBXQDQDUEEH-LBELIVKGSA-N 1 3 226.339 1.712 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CNCCC1(F)F ZINC000514931721 387307381 /nfs/dbraw/zinc/30/73/81/387307381.db2.gz VXNUGPGBQLNVCL-MXWKQRLJSA-N 1 3 247.333 1.233 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccncc1 ZINC000423459805 387309198 /nfs/dbraw/zinc/30/91/98/387309198.db2.gz IKAXYTNULFOKIK-UMNHJUIQSA-N 1 3 207.321 1.858 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)[C@H](N)CC1CCCCC1 ZINC000423527240 387355829 /nfs/dbraw/zinc/35/58/29/387355829.db2.gz MCUNTUVGWFCISZ-ZYHUDNBSSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)CN1C1CC1 ZINC000423530347 387358684 /nfs/dbraw/zinc/35/86/84/387358684.db2.gz RCRZALNDGWIEDD-YPMHNXCESA-N 1 3 237.391 1.343 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCCNC2)C1(C)C ZINC000423544427 387367546 /nfs/dbraw/zinc/36/75/46/387367546.db2.gz DANCANUIFGNDDE-FRRDWIJNSA-N 1 3 240.391 1.922 20 0 BDADHO CCOC[C@H]1CCC[C@H]1[NH2+]CCCNC1CC1 ZINC000423554129 387373774 /nfs/dbraw/zinc/37/37/74/387373774.db2.gz LBCIRYMMECJNSO-TZMCWYRMSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423475394 387322439 /nfs/dbraw/zinc/32/24/39/387322439.db2.gz HWJPTOUECIOJGG-OUAUKWLOSA-N 1 3 247.333 1.104 20 0 BDADHO C[C@@H](NCCC[C@@H]1CCC[NH2+]1)c1ccn(C)n1 ZINC000423477564 387324106 /nfs/dbraw/zinc/32/41/06/387324106.db2.gz KAZCUCGWWUVCHS-VXGBXAGGSA-N 1 3 236.363 1.603 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)c1ccccc1CN(C)C ZINC000423496284 387337622 /nfs/dbraw/zinc/33/76/22/387337622.db2.gz GKOKHENYMOPWSX-LLVKDONJSA-N 1 3 249.358 1.215 20 0 BDADHO CCc1ccccc1[C@@H](N)CN[C@@H](C)C1C[NH2+]C1 ZINC000423494995 387339122 /nfs/dbraw/zinc/33/91/22/387339122.db2.gz BFKSTDDLDMPEMD-NHYWBVRUSA-N 1 3 247.386 1.446 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCCC[NH2+]C1CC1 ZINC000423519238 387352452 /nfs/dbraw/zinc/35/24/52/387352452.db2.gz DBSPKLNHGHWUIS-ZJUUUORDSA-N 1 3 200.326 1.142 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCNC1CC1 ZINC000423519238 387352458 /nfs/dbraw/zinc/35/24/58/387352458.db2.gz DBSPKLNHGHWUIS-ZJUUUORDSA-N 1 3 200.326 1.142 20 0 BDADHO C[C@@H](Cn1cccn1)NCC(C)(C)C[NH+](C)C ZINC000121855109 387424449 /nfs/dbraw/zinc/42/44/49/387424449.db2.gz IQDHSPZBMUWXGU-LBPRGKRZSA-N 1 3 238.379 1.449 20 0 BDADHO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CCO1 ZINC000515870080 387439667 /nfs/dbraw/zinc/43/96/67/387439667.db2.gz RBSNISWNQOXALV-UMSGYPCISA-N 1 3 226.364 1.804 20 0 BDADHO Cn1ncc2ccc(C[NH2+][C@H]3CCC[C@@H]3N)cc21 ZINC000515634236 387404573 /nfs/dbraw/zinc/40/45/73/387404573.db2.gz TVBQFEMSHJDSBF-STQMWFEESA-N 1 3 244.342 1.543 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CCc2c[nH]nc2C1 ZINC000515634615 387404930 /nfs/dbraw/zinc/40/49/30/387404930.db2.gz UNWDAGQBPRRPSD-XQQFMLRXSA-N 1 3 248.374 1.517 20 0 BDADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN ZINC000423741935 387407668 /nfs/dbraw/zinc/40/76/68/387407668.db2.gz KTYIBNLVIUTUPE-UHFFFAOYSA-N 1 3 249.358 1.055 20 0 BDADHO CC1(C)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CO1 ZINC000396841602 387501695 /nfs/dbraw/zinc/50/16/95/387501695.db2.gz HXGYJXVASMDDFT-AGIUHOORSA-N 1 3 238.375 1.770 20 0 BDADHO CC1(C)C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CO1 ZINC000396841602 387501701 /nfs/dbraw/zinc/50/17/01/387501701.db2.gz HXGYJXVASMDDFT-AGIUHOORSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCNC2)C1 ZINC000643475345 387509335 /nfs/dbraw/zinc/50/93/35/387509335.db2.gz JDMUGOPPIQHIOC-XDQVBPFNSA-N 1 3 240.391 1.922 20 0 BDADHO CCC[C@H](C)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000310090713 387534901 /nfs/dbraw/zinc/53/49/01/387534901.db2.gz DWXRQGADYNOEMS-KBPBESRZSA-N 1 3 239.407 1.402 20 0 BDADHO CCC1(O)CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000643474268 387488712 /nfs/dbraw/zinc/48/87/12/387488712.db2.gz ZGWJMJVAGSEDDB-ZIHBUVQPSA-N 1 3 240.391 1.787 20 0 BDADHO CCC[C@H](C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336691987 387581110 /nfs/dbraw/zinc/58/11/10/387581110.db2.gz HJFZVSAQRLUAMC-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO CCC[C@H](C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336691987 387581113 /nfs/dbraw/zinc/58/11/13/387581113.db2.gz HJFZVSAQRLUAMC-UONOGXRCSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1CCC[N@H+](CCOCC2CC2)[C@H]1CN ZINC000430544294 387628503 /nfs/dbraw/zinc/62/85/03/387628503.db2.gz FUBHLVBWQIBGOL-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCC[N@@H+](CCOCC2CC2)[C@H]1CN ZINC000430544294 387628506 /nfs/dbraw/zinc/62/85/06/387628506.db2.gz FUBHLVBWQIBGOL-YPMHNXCESA-N 1 3 226.364 1.472 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422698705 387614773 /nfs/dbraw/zinc/61/47/73/387614773.db2.gz APEIROXVHHAFAO-UTUOFQBUSA-N 1 3 214.353 1.247 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422700555 387615875 /nfs/dbraw/zinc/61/58/75/387615875.db2.gz ACFSPLNNBJDNBS-CKYFFXLPSA-N 1 3 216.369 1.499 20 0 BDADHO CC[C@@H](Cc1cccs1)NCC1C[NH2+]C1 ZINC000643516029 387620100 /nfs/dbraw/zinc/62/01/00/387620100.db2.gz OVPFPRXVMUTZSG-NSHDSACASA-N 1 3 224.373 1.878 20 0 BDADHO CC[C@@H](Cc1cccs1)[NH2+]CC1CNC1 ZINC000643516029 387620101 /nfs/dbraw/zinc/62/01/01/387620101.db2.gz OVPFPRXVMUTZSG-NSHDSACASA-N 1 3 224.373 1.878 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620186 /nfs/dbraw/zinc/62/01/86/387620186.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620189 /nfs/dbraw/zinc/62/01/89/387620189.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620193 /nfs/dbraw/zinc/62/01/93/387620193.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCC[C@H]1O ZINC000305636545 387620197 /nfs/dbraw/zinc/62/01/97/387620197.db2.gz ORZLZNOGZKVUTC-HZSPNIEDSA-N 1 3 240.391 1.564 20 0 BDADHO CCCCN(C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422707205 387620787 /nfs/dbraw/zinc/62/07/87/387620787.db2.gz GSTHYIVRRXRSJG-ZIAGYGMSSA-N 1 3 241.423 1.696 20 0 BDADHO CC[C@H](C)[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422705179 387621397 /nfs/dbraw/zinc/62/13/97/387621397.db2.gz BIIGEBPYAYSDGL-GVWAJWJKSA-N 1 3 226.364 1.266 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CNCC[C@@H]1C ZINC000422711746 387624560 /nfs/dbraw/zinc/62/45/60/387624560.db2.gz GCEPGSARTABADA-AAEUAGOBSA-N 1 3 236.363 1.169 20 0 BDADHO Cc1nccn1CCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422711746 387624567 /nfs/dbraw/zinc/62/45/67/387624567.db2.gz GCEPGSARTABADA-AAEUAGOBSA-N 1 3 236.363 1.169 20 0 BDADHO Cc1nccn1CCC[NH2+][C@H]1CNCC[C@H]1C ZINC000422711749 387625194 /nfs/dbraw/zinc/62/51/94/387625194.db2.gz GCEPGSARTABADA-YPMHNXCESA-N 1 3 236.363 1.169 20 0 BDADHO Cc1nccn1CCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422711749 387625198 /nfs/dbraw/zinc/62/51/98/387625198.db2.gz GCEPGSARTABADA-YPMHNXCESA-N 1 3 236.363 1.169 20 0 BDADHO CCCCN(C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422711398 387626503 /nfs/dbraw/zinc/62/65/03/387626503.db2.gz NBAPKSXJPDGYKY-STQMWFEESA-N 1 3 227.396 1.448 20 0 BDADHO CN1CC[C@@H](C[N@H+](C)C/C=C\c2ccncc2)C1 ZINC000426168153 387546821 /nfs/dbraw/zinc/54/68/21/387546821.db2.gz XYVVEFSUGNBQHN-JZIMQPMSSA-N 1 3 245.370 1.978 20 0 BDADHO CN1CC[C@@H](C[N@@H+](C)C/C=C\c2ccncc2)C1 ZINC000426168153 387546824 /nfs/dbraw/zinc/54/68/24/387546824.db2.gz XYVVEFSUGNBQHN-JZIMQPMSSA-N 1 3 245.370 1.978 20 0 BDADHO CC(C)[C@H](O)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422791557 387694411 /nfs/dbraw/zinc/69/44/11/387694411.db2.gz YQLUZCCCNJWEJZ-YNEHKIRRSA-N 1 3 228.380 1.643 20 0 BDADHO CC(C)C[C@@H](CN(C)C)N[C@@H](C)C1C[NH2+]C1 ZINC000422717106 387630228 /nfs/dbraw/zinc/63/02/28/387630228.db2.gz OGIVESAQWRURFA-AAEUAGOBSA-N 1 3 227.396 1.160 20 0 BDADHO C[C@@H](NC[C@H]1CCCOC1)[C@@H]1CCCC[NH2+]1 ZINC000422721843 387632455 /nfs/dbraw/zinc/63/24/55/387632455.db2.gz WDKOPOCBQHBDJH-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO CN(C)c1cccc(C[NH2+][C@H]2CCC[C@H]2N)c1 ZINC000422721621 387632475 /nfs/dbraw/zinc/63/24/75/387632475.db2.gz VVCFBPMYIRYRKJ-KGLIPLIRSA-N 1 3 233.359 1.722 20 0 BDADHO C[C@@H](NC[C@H]1CCCOC1)[C@H]1CCCC[NH2+]1 ZINC000422721842 387633299 /nfs/dbraw/zinc/63/32/99/387633299.db2.gz WDKOPOCBQHBDJH-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CCCCN(C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422719457 387633983 /nfs/dbraw/zinc/63/39/83/387633983.db2.gz YEIBNUNKEXZUFT-OLZOCXBDSA-N 1 3 227.396 1.306 20 0 BDADHO Cc1nccn1CCCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422726414 387636155 /nfs/dbraw/zinc/63/61/55/387636155.db2.gz ZUMNBXDAOBPYAB-YPMHNXCESA-N 1 3 236.363 1.312 20 0 BDADHO CC[C@@H]1CCCCN1CCN[C@H](C)C1C[NH2+]C1 ZINC000422729321 387638372 /nfs/dbraw/zinc/63/83/72/387638372.db2.gz KKICXXWOTUECHC-TZMCWYRMSA-N 1 3 239.407 1.448 20 0 BDADHO CCC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422733328 387640193 /nfs/dbraw/zinc/64/01/93/387640193.db2.gz QTNFXOUZOAEKOK-VIFPVBQESA-N 1 3 207.321 1.909 20 0 BDADHO CCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422732036 387640974 /nfs/dbraw/zinc/64/09/74/387640974.db2.gz NDEIVSQBIITESC-GMTAPVOTSA-N 1 3 200.326 1.128 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](O)Cc1ccccc1 ZINC000422736238 387643540 /nfs/dbraw/zinc/64/35/40/387643540.db2.gz FZZJUDFXOWLTGS-RRFJBIMHSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422736238 387643543 /nfs/dbraw/zinc/64/35/43/387643543.db2.gz FZZJUDFXOWLTGS-RRFJBIMHSA-N 1 3 248.370 1.307 20 0 BDADHO CC[C@@H](NCCN(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422748700 387652634 /nfs/dbraw/zinc/65/26/34/387652634.db2.gz VRFPWYQMNRGFHO-OLZOCXBDSA-N 1 3 227.396 1.448 20 0 BDADHO C[C@H](NC1CC(C)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000643491409 387654748 /nfs/dbraw/zinc/65/47/48/387654748.db2.gz OMNDIYGENUCCCR-JYBOHDQNSA-N 1 3 214.328 1.855 20 0 BDADHO C[C@H]([NH2+]C1CC(C)(F)C1)[C@H]1CCCNC1 ZINC000643491409 387654751 /nfs/dbraw/zinc/65/47/51/387654751.db2.gz OMNDIYGENUCCCR-JYBOHDQNSA-N 1 3 214.328 1.855 20 0 BDADHO [NH3+][C@H]1CCC[C@H]1NCCCNc1ccccc1 ZINC000422756474 387661157 /nfs/dbraw/zinc/66/11/57/387661157.db2.gz LNWPQPFTCUAZHM-UONOGXRCSA-N 1 3 233.359 1.958 20 0 BDADHO Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000422759066 387661595 /nfs/dbraw/zinc/66/15/95/387661595.db2.gz OUOZLLBIUWAUFE-ZIAGYGMSSA-N 1 3 234.343 1.843 20 0 BDADHO CC(C)OCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422760289 387663114 /nfs/dbraw/zinc/66/31/14/387663114.db2.gz LSTBEVCNVXFLBY-VXGBXAGGSA-N 1 3 214.353 1.389 20 0 BDADHO CN(CCCN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000422763481 387664696 /nfs/dbraw/zinc/66/46/96/387664696.db2.gz OSLAWVLVMDYTTL-HUUCEWRRSA-N 1 3 247.386 1.982 20 0 BDADHO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cnccc1N ZINC000422763138 387665990 /nfs/dbraw/zinc/66/59/90/387665990.db2.gz SYJXDQNEJWWMIS-RYUDHWBXSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cnccc1N ZINC000422763138 387665992 /nfs/dbraw/zinc/66/59/92/387665992.db2.gz SYJXDQNEJWWMIS-RYUDHWBXSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cnccc1N ZINC000422763138 387665996 /nfs/dbraw/zinc/66/59/96/387665996.db2.gz SYJXDQNEJWWMIS-RYUDHWBXSA-N 1 3 248.374 1.629 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cnccc1N ZINC000422763139 387666454 /nfs/dbraw/zinc/66/64/54/387666454.db2.gz SYJXDQNEJWWMIS-VXGBXAGGSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cnccc1N ZINC000422763139 387666455 /nfs/dbraw/zinc/66/64/55/387666455.db2.gz SYJXDQNEJWWMIS-VXGBXAGGSA-N 1 3 248.374 1.629 20 0 BDADHO CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cnccc1N ZINC000422763139 387666458 /nfs/dbraw/zinc/66/64/58/387666458.db2.gz SYJXDQNEJWWMIS-VXGBXAGGSA-N 1 3 248.374 1.629 20 0 BDADHO CCN1CCC([NH2+][C@@H](C)c2cnccc2N)CC1 ZINC000422768843 387668576 /nfs/dbraw/zinc/66/85/76/387668576.db2.gz OEOUDMNXFRMQJG-NSHDSACASA-N 1 3 248.374 1.629 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCn1cnc2ccccc21 ZINC000422772154 387671324 /nfs/dbraw/zinc/67/13/24/387671324.db2.gz YXGCTWPWRGRIDU-NWDGAFQWSA-N 1 3 246.358 1.752 20 0 BDADHO CCCCOCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422776538 387673337 /nfs/dbraw/zinc/67/33/37/387673337.db2.gz CVTHXIIOKTYXJF-JHJVBQTASA-N 1 3 244.379 1.145 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N1CCC(C)CC1 ZINC000422777773 387675713 /nfs/dbraw/zinc/67/57/13/387675713.db2.gz GNPUAAYXSBKKSE-MGPQQGTHSA-N 1 3 239.407 1.576 20 0 BDADHO C[C@H](NCCc1cccc(F)c1)C1C[NH2+]C1 ZINC000422782306 387681823 /nfs/dbraw/zinc/68/18/23/387681823.db2.gz JTELBRZJIKBVIZ-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO C[C@H]([NH2+]CCc1cccc(F)c1)C1CNC1 ZINC000422782306 387681827 /nfs/dbraw/zinc/68/18/27/387681827.db2.gz JTELBRZJIKBVIZ-JTQLQIEISA-N 1 3 222.307 1.566 20 0 BDADHO CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422785005 387683842 /nfs/dbraw/zinc/68/38/42/387683842.db2.gz QLOWDFNWVOZHLU-QJPTWQEYSA-N 1 3 214.353 1.110 20 0 BDADHO CC(C)[C@H](O)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422791554 387693094 /nfs/dbraw/zinc/69/30/94/387693094.db2.gz YQLUZCCCNJWEJZ-RWMBFGLXSA-N 1 3 228.380 1.643 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN[C@@H](C)C2)C1 ZINC000643526027 387754646 /nfs/dbraw/zinc/75/46/46/387754646.db2.gz NYDDPDBFCYJZRD-WUHRBBMRSA-N 1 3 226.364 1.674 20 0 BDADHO CC(=O)Nc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422802601 387701111 /nfs/dbraw/zinc/70/11/11/387701111.db2.gz HOWPJGSCFUAYEA-WDEREUQCSA-N 1 3 249.358 1.860 20 0 BDADHO CO[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422806366 387706257 /nfs/dbraw/zinc/70/62/57/387706257.db2.gz KMRXSBOXCGKSBI-YNEHKIRRSA-N 1 3 228.380 1.635 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCNCC[C@@H]1C)C(C)C ZINC000422806366 387706259 /nfs/dbraw/zinc/70/62/59/387706259.db2.gz KMRXSBOXCGKSBI-YNEHKIRRSA-N 1 3 228.380 1.635 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])C(C)(C)C ZINC000422806898 387706539 /nfs/dbraw/zinc/70/65/39/387706539.db2.gz IWWDIMFAIYLITC-GMTAPVOTSA-N 1 3 216.369 1.763 20 0 BDADHO COCc1ccccc1C[NH2+][C@@H]1CNCC[C@H]1C ZINC000422808949 387709525 /nfs/dbraw/zinc/70/95/25/387709525.db2.gz QZDYWKGDRMNRCY-IUODEOHRSA-N 1 3 248.370 1.921 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCn1cccn1 ZINC000422811568 387710904 /nfs/dbraw/zinc/71/09/04/387710904.db2.gz PEUKPKYPUDRXNQ-QWHCGFSZSA-N 1 3 236.363 1.251 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000127490753 387714391 /nfs/dbraw/zinc/71/43/91/387714391.db2.gz HQXKSUSEKWSSAB-MGPQQGTHSA-N 1 3 241.423 1.789 20 0 BDADHO CCC(CC)(CCO)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422814673 387714886 /nfs/dbraw/zinc/71/48/86/387714886.db2.gz VWLMGXNAVRDEHA-CHWSQXEVSA-N 1 3 242.407 1.763 20 0 BDADHO CCO[C@H](CC[NH2+][C@H](C)C1CNC1)C(C)C ZINC000422815560 387714998 /nfs/dbraw/zinc/71/49/98/387714998.db2.gz XXCOMHHLWVHWNK-DGCLKSJQSA-N 1 3 228.380 1.635 20 0 BDADHO CCO[C@H](CCN[C@H](C)C1C[NH2+]C1)C(C)C ZINC000422815560 387715001 /nfs/dbraw/zinc/71/50/01/387715001.db2.gz XXCOMHHLWVHWNK-DGCLKSJQSA-N 1 3 228.380 1.635 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000127568307 387717891 /nfs/dbraw/zinc/71/78/91/387717891.db2.gz YSQPBSRTIRMHFU-BFHYXJOUSA-N 1 3 241.423 1.647 20 0 BDADHO CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N(C)C ZINC000422820709 387717930 /nfs/dbraw/zinc/71/79/30/387717930.db2.gz RYVQEAZLXUHSHX-AGIUHOORSA-N 1 3 227.396 1.432 20 0 BDADHO CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N(C)C ZINC000422820711 387718426 /nfs/dbraw/zinc/71/84/26/387718426.db2.gz RYVQEAZLXUHSHX-JHJVBQTASA-N 1 3 227.396 1.432 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1cccnc1 ZINC000422824014 387720733 /nfs/dbraw/zinc/72/07/33/387720733.db2.gz FXTSLLYVHCYBKK-KGLIPLIRSA-N 1 3 233.359 1.874 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422830293 387723025 /nfs/dbraw/zinc/72/30/25/387723025.db2.gz CKFKHSUWXSZXDK-QWHCGFSZSA-N 1 3 236.363 1.441 20 0 BDADHO Cc1nccn1CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422830293 387723031 /nfs/dbraw/zinc/72/30/31/387723031.db2.gz CKFKHSUWXSZXDK-QWHCGFSZSA-N 1 3 236.363 1.441 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]CCCNc1ccccn1 ZINC000422831122 387723205 /nfs/dbraw/zinc/72/32/05/387723205.db2.gz JETWGUIKDSVOFS-NWDGAFQWSA-N 1 3 236.363 1.599 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCCNc1ccccn1 ZINC000422831122 387723211 /nfs/dbraw/zinc/72/32/11/387723211.db2.gz JETWGUIKDSVOFS-NWDGAFQWSA-N 1 3 236.363 1.599 20 0 BDADHO COC[C@H]([NH2+][C@H]1CCCNCC1)C1CCCC1 ZINC000643523199 387723885 /nfs/dbraw/zinc/72/38/85/387723885.db2.gz XLTYNTNXPSOLHH-KBPBESRZSA-N 1 3 240.391 1.923 20 0 BDADHO COC[C@H](N[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000643523199 387723889 /nfs/dbraw/zinc/72/38/89/387723889.db2.gz XLTYNTNXPSOLHH-KBPBESRZSA-N 1 3 240.391 1.923 20 0 BDADHO CCN(C)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367549892 387724093 /nfs/dbraw/zinc/72/40/93/387724093.db2.gz HPITZKCKVRGVRT-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO COC1CCC(C[NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000422836941 387729261 /nfs/dbraw/zinc/72/92/61/387729261.db2.gz LAPIXOROGSYFQF-GNRIBBGQSA-N 1 3 240.391 1.909 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422876213 387755749 /nfs/dbraw/zinc/75/57/49/387755749.db2.gz FHHXSCIQAKZTKP-CHWSQXEVSA-N 1 3 227.396 1.576 20 0 BDADHO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCNC[C@H]2C)C1 ZINC000643524447 387738660 /nfs/dbraw/zinc/73/86/60/387738660.db2.gz FSQJFAUZUMRQPA-YVECIDJPSA-N 1 3 226.364 1.532 20 0 BDADHO COCCC1(C[NH2+][C@H]2CCC[C@@H]2CN)CCC1 ZINC000422890630 387764358 /nfs/dbraw/zinc/76/43/58/387764358.db2.gz SRPQNPRORKUEMP-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO CC(C)O[C@@H]1C[C@H](NC[C@H](C)[NH3+])C1(C)C ZINC000643527517 387764786 /nfs/dbraw/zinc/76/47/86/387764786.db2.gz NWAGCCZMUOYEQZ-GARJFASQSA-N 1 3 214.353 1.515 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422898008 387765282 /nfs/dbraw/zinc/76/52/82/387765282.db2.gz DGWCMBYSWKVCGX-CRWXNKLISA-N 1 3 240.391 1.922 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1CCCC1 ZINC000422904375 387767533 /nfs/dbraw/zinc/76/75/33/387767533.db2.gz XGHQNYVDGHVBEX-UHTWSYAYSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCNC(=O)c1ccccc1 ZINC000422914073 387771203 /nfs/dbraw/zinc/77/12/03/387771203.db2.gz RKSZWYYXYQJKBD-NWDGAFQWSA-N 1 3 249.358 1.132 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422900942 387784489 /nfs/dbraw/zinc/78/44/89/387784489.db2.gz KJUYHTWXNQQSSY-YFKTTZPYSA-N 1 3 214.353 1.659 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CCC)N(C)C ZINC000422900910 387784504 /nfs/dbraw/zinc/78/45/04/387784504.db2.gz KHZJJHONDZPAHT-NWDGAFQWSA-N 1 3 243.395 1.350 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc(F)c1 ZINC000422947866 387785020 /nfs/dbraw/zinc/78/50/20/387785020.db2.gz QPPXJGAOHFOMIN-CHWSQXEVSA-N 1 3 238.306 1.674 20 0 BDADHO CC[C@H](CCO)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422981443 387791516 /nfs/dbraw/zinc/79/15/16/387791516.db2.gz SVCUTSXMPUNFJN-QJPTWQEYSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)N[C@H](C)C1C[NH2+]C1 ZINC000422980546 387791823 /nfs/dbraw/zinc/79/18/23/387791823.db2.gz QINNTZBMFTUPEA-GHMZBOCLSA-N 1 3 234.343 1.521 20 0 BDADHO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)C1CNC1 ZINC000422980546 387791825 /nfs/dbraw/zinc/79/18/25/387791825.db2.gz QINNTZBMFTUPEA-GHMZBOCLSA-N 1 3 234.343 1.521 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)N[C@@H](C)C1C[NH2+]C1 ZINC000422980548 387791896 /nfs/dbraw/zinc/79/18/96/387791896.db2.gz QINNTZBMFTUPEA-QWRGUYRKSA-N 1 3 234.343 1.521 20 0 BDADHO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)C1CNC1 ZINC000422980548 387791899 /nfs/dbraw/zinc/79/18/99/387791899.db2.gz QINNTZBMFTUPEA-QWRGUYRKSA-N 1 3 234.343 1.521 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422981815 387793037 /nfs/dbraw/zinc/79/30/37/387793037.db2.gz UMVFBJJDEWZMHG-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422981815 387793040 /nfs/dbraw/zinc/79/30/40/387793040.db2.gz UMVFBJJDEWZMHG-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](CCC[NH3+])N[C@@H](CO)c1cccc(F)c1 ZINC000422985618 387795601 /nfs/dbraw/zinc/79/56/01/387795601.db2.gz FMFQKNWAACZWSF-GWCFXTLKSA-N 1 3 240.322 1.576 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(O)cc1 ZINC000422985312 387796528 /nfs/dbraw/zinc/79/65/28/387796528.db2.gz DBTFGLGSXWIEMK-DOMZBBRYSA-N 1 3 248.370 1.912 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422992612 387800177 /nfs/dbraw/zinc/80/01/77/387800177.db2.gz RPDXAAFVFHUOHY-RYUDHWBXSA-N 1 3 226.364 1.256 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527975284 387813304 /nfs/dbraw/zinc/81/33/04/387813304.db2.gz UAWZIGMUIPGTIQ-RVMXOQNASA-N 1 3 226.364 1.484 20 0 BDADHO CCO[C@@]1(C)C[C@H]1N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000527975284 387813307 /nfs/dbraw/zinc/81/33/07/387813307.db2.gz UAWZIGMUIPGTIQ-RVMXOQNASA-N 1 3 226.364 1.484 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H](C)COCC(F)(F)F ZINC000422949174 387807696 /nfs/dbraw/zinc/80/76/96/387807696.db2.gz UHDZPAXZOYOTBY-YIZRAAEISA-N 1 3 242.285 1.669 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000422955123 387808791 /nfs/dbraw/zinc/80/87/91/387808791.db2.gz IRIVEFQYRXZPOH-PEDHHIEDSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H](NC[C@@H]1CCOc2ccccc21)C1C[NH2+]C1 ZINC000422885825 387759456 /nfs/dbraw/zinc/75/94/56/387759456.db2.gz HGVHOOJLPGINFJ-NEPJUHHUSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)C1CNC1 ZINC000422885825 387759462 /nfs/dbraw/zinc/75/94/62/387759462.db2.gz HGVHOOJLPGINFJ-NEPJUHHUSA-N 1 3 246.354 1.750 20 0 BDADHO C[C@@H](N)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000442665919 387819913 /nfs/dbraw/zinc/81/99/13/387819913.db2.gz RKIYHBPHUINVLB-DOMZBBRYSA-N 1 3 248.370 1.706 20 0 BDADHO C[C@@H](N)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000442665919 387819916 /nfs/dbraw/zinc/81/99/16/387819916.db2.gz RKIYHBPHUINVLB-DOMZBBRYSA-N 1 3 248.370 1.706 20 0 BDADHO CS[C@H](CO)[C@H](C)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422975465 387824744 /nfs/dbraw/zinc/82/47/44/387824744.db2.gz GUPLPVVXPSDNHT-WRWGMCAJSA-N 1 3 246.420 1.077 20 0 BDADHO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)[C@H]1CCCN1 ZINC000423004078 387825721 /nfs/dbraw/zinc/82/57/21/387825721.db2.gz JCMPIHOPPVFZLQ-ZDEQEGDKSA-N 1 3 226.364 1.268 20 0 BDADHO COc1cccc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000423003619 387825840 /nfs/dbraw/zinc/82/58/40/387825840.db2.gz IGZUEUWJEUJNLM-NWDGAFQWSA-N 1 3 249.358 1.220 20 0 BDADHO CCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])CCCC ZINC000442711676 387825989 /nfs/dbraw/zinc/82/59/89/387825989.db2.gz FBYZIYDMBMHVRG-GHMZBOCLSA-N 1 3 229.368 1.138 20 0 BDADHO COc1cccc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)n1 ZINC000423003621 387826254 /nfs/dbraw/zinc/82/62/54/387826254.db2.gz IGZUEUWJEUJNLM-VXGBXAGGSA-N 1 3 249.358 1.220 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CCCC ZINC000442711677 387826330 /nfs/dbraw/zinc/82/63/30/387826330.db2.gz FBYZIYDMBMHVRG-MNOVXSKESA-N 1 3 229.368 1.138 20 0 BDADHO CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000423004021 387826457 /nfs/dbraw/zinc/82/64/57/387826457.db2.gz OCCVVRQQHRAEDR-CHWSQXEVSA-N 1 3 240.391 1.910 20 0 BDADHO C[NH2+]C[C@@](C)(O)CN(C)CCC1CCCCC1 ZINC000564095307 387826651 /nfs/dbraw/zinc/82/66/51/387826651.db2.gz ZSIXVOSOBONAEY-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CNC[C@@](C)(O)C[N@H+](C)CCC1CCCCC1 ZINC000564095307 387826656 /nfs/dbraw/zinc/82/66/56/387826656.db2.gz ZSIXVOSOBONAEY-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CNC[C@@](C)(O)C[N@@H+](C)CCC1CCCCC1 ZINC000564095307 387826661 /nfs/dbraw/zinc/82/66/61/387826661.db2.gz ZSIXVOSOBONAEY-CQSZACIVSA-N 1 3 242.407 1.859 20 0 BDADHO CCC[C@H](CCO)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423007522 387828085 /nfs/dbraw/zinc/82/80/85/387828085.db2.gz QUBBOKFUKCPODU-XQQFMLRXSA-N 1 3 228.380 1.373 20 0 BDADHO C[C@H](N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423005225 387828386 /nfs/dbraw/zinc/82/83/86/387828386.db2.gz LXYUMJQNINQUKO-XUXIUFHCSA-N 1 3 240.391 1.658 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccncc1 ZINC000423007156 387829032 /nfs/dbraw/zinc/82/90/32/387829032.db2.gz QAENYUXSQPBXEA-ZIAGYGMSSA-N 1 3 233.359 1.874 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1c[nH]c2ncccc12 ZINC000423005607 387829456 /nfs/dbraw/zinc/82/94/56/387829456.db2.gz SKYLTZIALDKPDY-STQMWFEESA-N 1 3 244.342 1.575 20 0 BDADHO CC(C)CSCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423009104 387831146 /nfs/dbraw/zinc/83/11/46/387831146.db2.gz CEUZBCLYSTXSCN-GHMZBOCLSA-N 1 3 216.394 1.845 20 0 BDADHO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000423011197 387833754 /nfs/dbraw/zinc/83/37/54/387833754.db2.gz APROJLBOGHVRNY-UPJWGTAASA-N 1 3 240.391 1.501 20 0 BDADHO COC[C@@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423014010 387836535 /nfs/dbraw/zinc/83/65/35/387836535.db2.gz HHTNNGLKCPWQDP-JHJVBQTASA-N 1 3 228.380 1.922 20 0 BDADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423014290 387836645 /nfs/dbraw/zinc/83/66/45/387836645.db2.gz OSZAQIPXGLEPNZ-ZIAGYGMSSA-N 1 3 233.359 1.650 20 0 BDADHO C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423014396 387837962 /nfs/dbraw/zinc/83/79/62/387837962.db2.gz IIRNMYWAURMSNZ-QCNOEVLYSA-N 1 3 212.337 1.142 20 0 BDADHO CC(C)[C@H](O)C1(CN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423018261 387841041 /nfs/dbraw/zinc/84/10/41/387841041.db2.gz QNSZNGZNKGFHDI-SRVKXCTJSA-N 1 3 228.380 1.499 20 0 BDADHO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)C2CNC2)C1(C)C ZINC000423016696 387841052 /nfs/dbraw/zinc/84/10/52/387841052.db2.gz NEOXOUWVCBWLHA-RBLKWDMZSA-N 1 3 226.364 1.243 20 0 BDADHO CO[C@@H]1[C@H](C)[C@@H](N[C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000423016696 387841059 /nfs/dbraw/zinc/84/10/59/387841059.db2.gz NEOXOUWVCBWLHA-RBLKWDMZSA-N 1 3 226.364 1.243 20 0 BDADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCO1 ZINC000423016412 387841471 /nfs/dbraw/zinc/84/14/71/387841471.db2.gz SVZSKOWKJIORPH-AEBFUODCSA-N 1 3 238.375 1.817 20 0 BDADHO CC[C@H](NCC1=CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423019112 387841616 /nfs/dbraw/zinc/84/16/16/387841616.db2.gz UAKWZUZJHYCFJJ-KBPBESRZSA-N 1 3 237.391 1.369 20 0 BDADHO C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1C ZINC000423034158 387848593 /nfs/dbraw/zinc/84/85/93/387848593.db2.gz PMIFKRZYGLBJDQ-MWWBDVBNSA-N 1 3 237.391 1.342 20 0 BDADHO CC1=CCN(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000423032180 387849191 /nfs/dbraw/zinc/84/91/91/387849191.db2.gz DZXWABZCQJUVST-UONOGXRCSA-N 1 3 237.391 1.226 20 0 BDADHO CC1=CCN(CCN[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000423039276 387853636 /nfs/dbraw/zinc/85/36/36/387853636.db2.gz QAKLMLZJFXKBAP-STQMWFEESA-N 1 3 225.380 1.354 20 0 BDADHO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CNC2)CCO1 ZINC000423039928 387854169 /nfs/dbraw/zinc/85/41/69/387854169.db2.gz GFRFJGXFGOJQHH-FPMFFAJLSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCO1 ZINC000423043939 387854760 /nfs/dbraw/zinc/85/47/60/387854760.db2.gz QEGSGEZCKZNPCH-BEUHCMRWSA-N 1 3 238.375 1.817 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC000423043582 387855756 /nfs/dbraw/zinc/85/57/56/387855756.db2.gz PDZSDXADORFORR-SDDRHHMPSA-N 1 3 214.353 1.661 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000423051819 387860896 /nfs/dbraw/zinc/86/08/96/387860896.db2.gz OEBRJGXECZBKHZ-QWHCGFSZSA-N 1 3 240.391 1.517 20 0 BDADHO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)[C@H]1CCCCN1 ZINC000423061976 387867520 /nfs/dbraw/zinc/86/75/20/387867520.db2.gz LXVXXQXYICLIRO-FRRDWIJNSA-N 1 3 248.374 1.318 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000423067755 387869371 /nfs/dbraw/zinc/86/93/71/387869371.db2.gz IHVLLOKAJCENAN-HBNTYKKESA-N 1 3 200.326 1.142 20 0 BDADHO CC1(C)CCCN(CC[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000423070514 387872154 /nfs/dbraw/zinc/87/21/54/387872154.db2.gz CYLYFIVCZFSKIJ-CHWSQXEVSA-N 1 3 239.407 1.578 20 0 BDADHO CC1(C)CCCN(CCN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000423070514 387872156 /nfs/dbraw/zinc/87/21/56/387872156.db2.gz CYLYFIVCZFSKIJ-CHWSQXEVSA-N 1 3 239.407 1.578 20 0 BDADHO C[C@@H](N)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000442659425 387814750 /nfs/dbraw/zinc/81/47/50/387814750.db2.gz KMUBIIRZYIBXAK-OCCSQVGLSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H](N)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000442659425 387814755 /nfs/dbraw/zinc/81/47/55/387814755.db2.gz KMUBIIRZYIBXAK-OCCSQVGLSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H](N)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663169 387816320 /nfs/dbraw/zinc/81/63/20/387816320.db2.gz IZGKWEQLWLYUMH-HIFRSBDPSA-N 1 3 247.386 1.934 20 0 BDADHO C[C@@H](N)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000442663169 387816322 /nfs/dbraw/zinc/81/63/22/387816322.db2.gz IZGKWEQLWLYUMH-HIFRSBDPSA-N 1 3 247.386 1.934 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccccc1O ZINC000422967221 387816753 /nfs/dbraw/zinc/81/67/53/387816753.db2.gz BSSWQIHBADUVSM-GXTWGEPZSA-N 1 3 248.370 1.912 20 0 BDADHO CCC(CC)(CO)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423002877 387819276 /nfs/dbraw/zinc/81/92/76/387819276.db2.gz KFWFSSHTSKDJHR-MNOVXSKESA-N 1 3 216.369 1.501 20 0 BDADHO CCC(CC)(CO)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423002877 387819280 /nfs/dbraw/zinc/81/92/80/387819280.db2.gz KFWFSSHTSKDJHR-MNOVXSKESA-N 1 3 216.369 1.501 20 0 BDADHO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423101409 387889485 /nfs/dbraw/zinc/88/94/85/387889485.db2.gz CWINPDHIWIHZCO-FDYHWXHSSA-N 1 3 226.364 1.376 20 0 BDADHO C[C@H](NC[C@H]1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000423105380 387890811 /nfs/dbraw/zinc/89/08/11/387890811.db2.gz IIWJBYHCRASBLV-RQJABVFESA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1CSC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423107589 387890922 /nfs/dbraw/zinc/89/09/22/387890922.db2.gz KZOGGVKIZJWVAA-ARHMULMVSA-N 1 3 226.389 1.611 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000423106909 387891487 /nfs/dbraw/zinc/89/14/87/387891487.db2.gz RQHKINRYOXASCU-OBJOEFQTSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](CO)CC1CCCC1 ZINC000423106909 387891489 /nfs/dbraw/zinc/89/14/89/387891489.db2.gz RQHKINRYOXASCU-OBJOEFQTSA-N 1 3 242.407 1.891 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1C ZINC000423109763 387892404 /nfs/dbraw/zinc/89/24/04/387892404.db2.gz URSSJXMGGNYMNO-QMVSFRDZSA-N 1 3 240.391 1.765 20 0 BDADHO CCCN1CCC[C@H]1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423116114 387898042 /nfs/dbraw/zinc/89/80/42/387898042.db2.gz ZPJMGJAPMFLHLB-HZSPNIEDSA-N 1 3 239.407 1.591 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H](CO)Cc1ccccc1 ZINC000236178404 387875141 /nfs/dbraw/zinc/87/51/41/387875141.db2.gz AFJDUXITULVNIY-KKUMJFAQSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000236178404 387875148 /nfs/dbraw/zinc/87/51/48/387875148.db2.gz AFJDUXITULVNIY-KKUMJFAQSA-N 1 3 248.370 1.307 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000423082913 387878125 /nfs/dbraw/zinc/87/81/25/387878125.db2.gz FEQBEHRTVLWSSP-WOPDTQHZSA-N 1 3 228.405 1.717 20 0 BDADHO CCN(CC)[C@H](C)C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423082937 387879107 /nfs/dbraw/zinc/87/91/07/387879107.db2.gz FHGUHLBZIBCYAX-RDBSUJKOSA-N 1 3 241.423 1.966 20 0 BDADHO CSC1(CN[C@H]2CCC[C@@H]2[NH3+])CCC1 ZINC000423089889 387882582 /nfs/dbraw/zinc/88/25/82/387882582.db2.gz TZSWVQQZHPSCCE-UWVGGRQHSA-N 1 3 214.378 1.742 20 0 BDADHO CCSCCCN[C@@H]1CCC[C@H]1[NH3+] ZINC000423116963 387899131 /nfs/dbraw/zinc/89/91/31/387899131.db2.gz SGGHRPCKKFBVEQ-NXEZZACHSA-N 1 3 202.367 1.599 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[C@H](F)C1 ZINC000423120284 387901698 /nfs/dbraw/zinc/90/16/98/387901698.db2.gz GRQDVQFSFGNJHN-YTWAJWBKSA-N 1 3 200.301 1.465 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H](CO)CC1CCC1 ZINC000423130152 387908317 /nfs/dbraw/zinc/90/83/17/387908317.db2.gz MOXQEZIWFNJWIA-NHCYSSNCSA-N 1 3 214.353 1.253 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](F)C1 ZINC000423132815 387908927 /nfs/dbraw/zinc/90/89/27/387908927.db2.gz UYZSOUWVLIZPTE-NAKRPEOUSA-N 1 3 200.301 1.594 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)c1cc[nH]c(=O)c1 ZINC000423131753 387909239 /nfs/dbraw/zinc/90/92/39/387909239.db2.gz IKQYVZSMZGIQFZ-GUBZILKMSA-N 1 3 223.320 1.564 20 0 BDADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCCF ZINC000423132122 387909809 /nfs/dbraw/zinc/90/98/09/387909809.db2.gz BORCZYCRWRYQGM-WDEREUQCSA-N 1 3 202.317 1.714 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](F)C1 ZINC000423135931 387913339 /nfs/dbraw/zinc/91/33/39/387913339.db2.gz YKHIEJRUXKDHDS-USZNOCQGSA-N 1 3 214.328 1.984 20 0 BDADHO Cc1cccnc1C(C)(C)CN[C@@H](C)C1C[NH2+]C1 ZINC000423138011 387916366 /nfs/dbraw/zinc/91/63/66/387916366.db2.gz ISZZGAVIIHDJNA-LBPRGKRZSA-N 1 3 247.386 1.865 20 0 BDADHO Cc1cccnc1C(C)(C)C[NH2+][C@@H](C)C1CNC1 ZINC000423138011 387916371 /nfs/dbraw/zinc/91/63/71/387916371.db2.gz ISZZGAVIIHDJNA-LBPRGKRZSA-N 1 3 247.386 1.865 20 0 BDADHO OC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCC1 ZINC000423137933 387917171 /nfs/dbraw/zinc/91/71/71/387917171.db2.gz IJTLQZVOVGBOQM-PIGZVRMJSA-N 1 3 238.375 1.410 20 0 BDADHO C[C@@H](N)C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423154840 387933974 /nfs/dbraw/zinc/93/39/74/387933974.db2.gz KDEIHARKUHFWGZ-KXNHARMFSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NC[C@H]1CCCC[C@@H]1O ZINC000423154840 387933980 /nfs/dbraw/zinc/93/39/80/387933980.db2.gz KDEIHARKUHFWGZ-KXNHARMFSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H](CCCO)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423155991 387934902 /nfs/dbraw/zinc/93/49/02/387934902.db2.gz KJTCLAPGLDPNNC-FRRDWIJNSA-N 1 3 228.380 1.373 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCC1(F)F ZINC000423154926 387935361 /nfs/dbraw/zinc/93/53/61/387935361.db2.gz PPYXYFNQDCPBGO-AEJSXWLSSA-N 1 3 218.291 1.891 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423157617 387936402 /nfs/dbraw/zinc/93/64/02/387936402.db2.gz BHGFTUDYXOHAKT-NNYUYHANSA-N 1 3 212.337 1.271 20 0 BDADHO CC[C@@H]([NH2+]CC[C@@H](C)CCO)[C@@H]1CCCN1 ZINC000423147350 387926015 /nfs/dbraw/zinc/92/60/15/387926015.db2.gz RUFMSFQSDIOCTN-UPJWGTAASA-N 1 3 228.380 1.515 20 0 BDADHO COCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCCC1 ZINC000423169895 387954616 /nfs/dbraw/zinc/95/46/16/387954616.db2.gz WVRXKOSMDHNEGB-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C1C[NH2+]C1 ZINC000423169181 387955693 /nfs/dbraw/zinc/95/56/93/387955693.db2.gz VPQHOXMGHFEEOT-CYZMBNFOSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C1CNC1 ZINC000423169181 387955696 /nfs/dbraw/zinc/95/56/96/387955696.db2.gz VPQHOXMGHFEEOT-CYZMBNFOSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])O1 ZINC000423160783 387940652 /nfs/dbraw/zinc/94/06/52/387940652.db2.gz HVONGXSCTFCEJM-NDBYEHHHSA-N 1 3 226.364 1.804 20 0 BDADHO Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCCCN2)cn1 ZINC000423159562 387941454 /nfs/dbraw/zinc/94/14/54/387941454.db2.gz FXPVETIJAAMJAA-JSGCOSHPSA-N 1 3 248.374 1.448 20 0 BDADHO CCC1(CN[C@H]2C[NH2+]CC[C@H]2C)COC1 ZINC000423161653 387943230 /nfs/dbraw/zinc/94/32/30/387943230.db2.gz NYKBXEYBBBKEKD-MNOVXSKESA-N 1 3 212.337 1.001 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CC=CCC1 ZINC000392241313 387944891 /nfs/dbraw/zinc/94/48/91/387944891.db2.gz KLSKHFSDKFFDCE-KGLIPLIRSA-N 1 3 237.391 1.355 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392241313 387944895 /nfs/dbraw/zinc/94/48/95/387944895.db2.gz KLSKHFSDKFFDCE-KGLIPLIRSA-N 1 3 237.391 1.355 20 0 BDADHO C[C@@H]1C[C@H](NC2CCC([NH3+])CC2)c2nccn21 ZINC000329257056 387947785 /nfs/dbraw/zinc/94/77/85/387947785.db2.gz DUPKSXVPPMPCLD-YYJSSNLHSA-N 1 3 234.347 1.748 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCN2CC=CCC2)C1 ZINC000392280703 387949335 /nfs/dbraw/zinc/94/93/35/387949335.db2.gz HOMAEYQOLUUERF-OLZOCXBDSA-N 1 3 223.364 1.108 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCN2CC=CCC2)C1 ZINC000392280704 387949876 /nfs/dbraw/zinc/94/98/76/387949876.db2.gz HOMAEYQOLUUERF-QWHCGFSZSA-N 1 3 223.364 1.108 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000423166674 387950669 /nfs/dbraw/zinc/95/06/69/387950669.db2.gz VRLUZAMIMVJPDT-NDBYEHHHSA-N 1 3 226.364 1.255 20 0 BDADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](O)C(C)C ZINC000423179209 387966792 /nfs/dbraw/zinc/96/67/92/387966792.db2.gz JFEZYOUJDDYFBG-QZQCMHJZSA-N 1 3 240.391 1.655 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2CN)[C@H](C)O1 ZINC000423182295 387967234 /nfs/dbraw/zinc/96/72/34/387967234.db2.gz LKQZNOZQHHJJKU-MBJXGIAVSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@@H](C)[C@@H](C)NCC1([NH3+])CCCCC1 ZINC000423181319 387968177 /nfs/dbraw/zinc/96/81/77/387968177.db2.gz OTZNMYMLNNLEOK-MNOVXSKESA-N 1 3 214.353 1.661 20 0 BDADHO CO[C@@H](C)[C@@H](C)[NH2+]CC1(N)CCCCC1 ZINC000423181319 387968180 /nfs/dbraw/zinc/96/81/80/387968180.db2.gz OTZNMYMLNNLEOK-MNOVXSKESA-N 1 3 214.353 1.661 20 0 BDADHO C[C@@H]([NH2+]CCCN)C1CCSCC1 ZINC000423186049 387969252 /nfs/dbraw/zinc/96/92/52/387969252.db2.gz JWCQZGXFAKRVOP-SECBINFHSA-N 1 3 202.367 1.457 20 0 BDADHO CCO[C@H]1C[C@@H]([NH2+]CCCN)C1(CC)CC ZINC000423184363 387970396 /nfs/dbraw/zinc/97/03/96/387970396.db2.gz IMMOBDLHSFRARB-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO CCO[C@H]1C[C@@H](NCCC[NH3+])C1(CC)CC ZINC000423184363 387970398 /nfs/dbraw/zinc/97/03/98/387970398.db2.gz IMMOBDLHSFRARB-NEPJUHHUSA-N 1 3 228.380 1.909 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCCN1CCCC1(C)C ZINC000423171332 387956815 /nfs/dbraw/zinc/95/68/15/387956815.db2.gz ZVABEJWSWUQHHJ-QWHCGFSZSA-N 1 3 239.407 1.448 20 0 BDADHO CCCCO[C@@H]1C[C@@H](NCC[NH3+])C1(C)C ZINC000423191999 387978303 /nfs/dbraw/zinc/97/83/03/387978303.db2.gz UZDWNJPHHNVZJI-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO CC[C@H](NCCC[NH2+]C)C1(C(=O)OC)CCC1 ZINC000423201651 387987779 /nfs/dbraw/zinc/98/77/79/387987779.db2.gz PJSJULSSQVXPNU-NSHDSACASA-N 1 3 242.363 1.307 20 0 BDADHO CC[C@H]([NH2+]CCCNC)C1(C(=O)OC)CCC1 ZINC000423201651 387987781 /nfs/dbraw/zinc/98/77/81/387987781.db2.gz PJSJULSSQVXPNU-NSHDSACASA-N 1 3 242.363 1.307 20 0 BDADHO C[NH2+]CCCN[C@@H](C)Cc1ccc(OC)nc1 ZINC000423208567 387993070 /nfs/dbraw/zinc/99/30/70/387993070.db2.gz ZFEUSLQXBYOXJQ-NSHDSACASA-N 1 3 237.347 1.220 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2[NH3+])CS1 ZINC000423196148 387982239 /nfs/dbraw/zinc/98/22/39/387982239.db2.gz ZBNCHCXPMSAESG-UTINFBMNSA-N 1 3 200.351 1.350 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1N[C@@H]1CCCC[C@H]1F ZINC000423196179 387982324 /nfs/dbraw/zinc/98/23/24/387982324.db2.gz ZEQKNGMYUISLOH-DDHJBXDOSA-N 1 3 214.328 1.984 20 0 BDADHO Cc1ccc([C@H](C)NCCN2CC[NH2+]CC2)o1 ZINC000423199706 387985347 /nfs/dbraw/zinc/98/53/47/387985347.db2.gz CEKDPHPGYDQMCM-LBPRGKRZSA-N 1 3 237.347 1.144 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000424373581 387997786 /nfs/dbraw/zinc/99/77/86/387997786.db2.gz JTFSDXAQQHUTNC-UMSGYPCISA-N 1 3 225.380 1.186 20 0 BDADHO C[C@@H](N[C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000423215793 387997834 /nfs/dbraw/zinc/99/78/34/387997834.db2.gz NNLDFNWZDYEMHZ-LBELIVKGSA-N 1 3 226.364 1.530 20 0 BDADHO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CCCNC1 ZINC000423215793 387997839 /nfs/dbraw/zinc/99/78/39/387997839.db2.gz NNLDFNWZDYEMHZ-LBELIVKGSA-N 1 3 226.364 1.530 20 0 BDADHO COCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000423215782 387998280 /nfs/dbraw/zinc/99/82/80/387998280.db2.gz OVPFNSUURLNVGT-SDDRHHMPSA-N 1 3 212.337 1.143 20 0 BDADHO COCCCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000420406771 387999997 /nfs/dbraw/zinc/99/99/97/387999997.db2.gz NZAONISLAMLHRK-OLZOCXBDSA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000420406771 388000002 /nfs/dbraw/zinc/00/00/02/388000002.db2.gz NZAONISLAMLHRK-OLZOCXBDSA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420406771 388000005 /nfs/dbraw/zinc/00/00/05/388000005.db2.gz NZAONISLAMLHRK-OLZOCXBDSA-N 1 3 228.380 1.720 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246061450 388006024 /nfs/dbraw/zinc/00/60/24/388006024.db2.gz ZEQLVQKLKQDWLQ-MROQNXINSA-N 1 3 238.375 1.362 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246061450 388006029 /nfs/dbraw/zinc/00/60/29/388006029.db2.gz ZEQLVQKLKQDWLQ-MROQNXINSA-N 1 3 238.375 1.362 20 0 BDADHO C[C@@H](NC[C@@H](N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423241588 388023652 /nfs/dbraw/zinc/02/36/52/388023652.db2.gz DHXWAKYHQVPOKZ-MRVWCRGKSA-N 1 3 233.359 1.417 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]1CCOC ZINC000423230211 388015124 /nfs/dbraw/zinc/01/51/24/388015124.db2.gz CYLGHOJHGBUGQM-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO C[NH2+]CCN[C@H]1CCC[C@H]1CCCF ZINC000423237802 388021203 /nfs/dbraw/zinc/02/12/03/388021203.db2.gz DVQQKYADCGLPBC-QWRGUYRKSA-N 1 3 202.317 1.714 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCC[C@@H]1COCC ZINC000423249847 388032042 /nfs/dbraw/zinc/03/20/42/388032042.db2.gz SOKKUEOFNYBSAY-VXGBXAGGSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@H](NCC[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423252009 388034145 /nfs/dbraw/zinc/03/41/45/388034145.db2.gz SUKJAYYKTUDFQU-QWRGUYRKSA-N 1 3 208.305 1.930 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](N)c1ccccc1 ZINC000423254098 388035805 /nfs/dbraw/zinc/03/58/05/388035805.db2.gz XCYIHHKLBGNCAY-BPLDGKMQSA-N 1 3 247.386 1.664 20 0 BDADHO CNC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000423255959 388036635 /nfs/dbraw/zinc/03/66/35/388036635.db2.gz BBFUDAZJYOXTMN-RWMBFGLXSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159981200 388040931 /nfs/dbraw/zinc/04/09/31/388040931.db2.gz KQFXAKGHKYXZFF-JHJVBQTASA-N 1 3 226.364 1.220 20 0 BDADHO CC(C)[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159981200 388040934 /nfs/dbraw/zinc/04/09/34/388040934.db2.gz KQFXAKGHKYXZFF-JHJVBQTASA-N 1 3 226.364 1.220 20 0 BDADHO COC[C@H](NC[C@H]([NH3+])C(C)C)C1CCCC1 ZINC000423263256 388042659 /nfs/dbraw/zinc/04/26/59/388042659.db2.gz ANFOEDWXLZCSFB-STQMWFEESA-N 1 3 228.380 1.765 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1CCCN1)C1CCSCC1 ZINC000423246343 388029978 /nfs/dbraw/zinc/02/99/78/388029978.db2.gz ZENHJMQWNAJABX-PWSUYJOCSA-N 1 3 228.405 1.860 20 0 BDADHO CCO[C@H]1C[C@H](NCC(C)(C)[NH3+])C12CCC2 ZINC000423286857 388070877 /nfs/dbraw/zinc/07/08/77/388070877.db2.gz JDGFZFKOCHIISQ-QWRGUYRKSA-N 1 3 226.364 1.661 20 0 BDADHO CCCCOCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084216366 388074666 /nfs/dbraw/zinc/07/46/66/388074666.db2.gz RJMHDMDKFSENPY-CHWSQXEVSA-N 1 3 228.380 1.910 20 0 BDADHO CCCCOCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216366 388074668 /nfs/dbraw/zinc/07/46/68/388074668.db2.gz RJMHDMDKFSENPY-CHWSQXEVSA-N 1 3 228.380 1.910 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000423296963 388078375 /nfs/dbraw/zinc/07/83/75/388078375.db2.gz ICOJFBMLOXDIKI-IGQOVBAYSA-N 1 3 241.423 1.822 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000423297958 388080115 /nfs/dbraw/zinc/08/01/15/388080115.db2.gz MNZTUHFRTUXDCD-XQQFMLRXSA-N 1 3 227.396 1.434 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@@H](C)[C@H](C)OC ZINC000423298332 388080185 /nfs/dbraw/zinc/08/01/85/388080185.db2.gz OCCOFGMYWXOACU-GARJFASQSA-N 1 3 202.342 1.517 20 0 BDADHO CN(C)CCOCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000447595102 388080573 /nfs/dbraw/zinc/08/05/73/388080573.db2.gz LCMUAFHEVNDSEK-KGLIPLIRSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000423268127 388048162 /nfs/dbraw/zinc/04/81/62/388048162.db2.gz GBSBTFYVQLHLBL-FZMZJTMJSA-N 1 3 236.359 1.813 20 0 BDADHO C[C@@H]1[C@@H](CO)CCN1CCC[NH+]1CCCCC1 ZINC000488750522 388193897 /nfs/dbraw/zinc/19/38/97/388193897.db2.gz UMCUWDLYZCPCGF-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO COC1CCC([N@H+](C)CCCN)CC1 ZINC000164303522 388211143 /nfs/dbraw/zinc/21/11/43/388211143.db2.gz AYHLISYZEGZTBA-UHFFFAOYSA-N 1 3 200.326 1.225 20 0 BDADHO COC1CCC([N@@H+](C)CCCN)CC1 ZINC000164303522 388211146 /nfs/dbraw/zinc/21/11/46/388211146.db2.gz AYHLISYZEGZTBA-UHFFFAOYSA-N 1 3 200.326 1.225 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000489480026 388216458 /nfs/dbraw/zinc/21/64/58/388216458.db2.gz PADGRNAUSWYYDK-JOYOIKCWSA-N 1 3 235.331 1.772 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000449574043 388236443 /nfs/dbraw/zinc/23/64/43/388236443.db2.gz VGLWZLWOUDXBMN-WOPDTQHZSA-N 1 3 241.379 1.103 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H]1COCC1(C)C ZINC000451813591 388298008 /nfs/dbraw/zinc/29/80/08/388298008.db2.gz RGAJWKZKVPSARJ-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@H]1COCC1(C)C ZINC000451813591 388298009 /nfs/dbraw/zinc/29/80/09/388298009.db2.gz RGAJWKZKVPSARJ-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@H]1COCC1(C)C ZINC000451813591 388298010 /nfs/dbraw/zinc/29/80/10/388298010.db2.gz RGAJWKZKVPSARJ-RYUDHWBXSA-N 1 3 226.364 1.485 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@@H](C)C[NH3+])C1(C)C ZINC000233749299 388348686 /nfs/dbraw/zinc/34/86/86/388348686.db2.gz JUEMYVUTQZZUES-IVZWLZJFSA-N 1 3 200.326 1.127 20 0 BDADHO COc1ccccc1C[C@H](C)N[C@H](C)C[NH3+] ZINC000234909153 388363206 /nfs/dbraw/zinc/36/32/06/388363206.db2.gz WRAPVMHIPPPZGR-WDEREUQCSA-N 1 3 222.332 1.563 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)Nc1cccc(CN)c1 ZINC000646578831 388389172 /nfs/dbraw/zinc/38/91/72/388389172.db2.gz GZLAPCAFTGBFBF-SECBINFHSA-N 1 3 221.304 1.211 20 0 BDADHO Cc1c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cnn1C ZINC000335268096 388449306 /nfs/dbraw/zinc/44/93/06/388449306.db2.gz ARGWFTDOWRTJLB-BETUJISGSA-N 1 3 248.374 1.160 20 0 BDADHO C[C@@H]1C[C@H](C)N(CCn2cccn2)C[C@H]1C[NH3+] ZINC000397352822 388463671 /nfs/dbraw/zinc/46/36/71/388463671.db2.gz DCRHRIXNHKQUBQ-FRRDWIJNSA-N 1 3 236.363 1.188 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213039 388432907 /nfs/dbraw/zinc/43/29/07/388432907.db2.gz TVNYUCQZQVWYAC-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000573213039 388432908 /nfs/dbraw/zinc/43/29/08/388432908.db2.gz TVNYUCQZQVWYAC-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](CC(C)C)C1 ZINC000573213039 388432910 /nfs/dbraw/zinc/43/29/10/388432910.db2.gz TVNYUCQZQVWYAC-KGLIPLIRSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000339075574 388480229 /nfs/dbraw/zinc/48/02/29/388480229.db2.gz PKHIRWCOAYHIIC-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOC1 ZINC000339075574 388480232 /nfs/dbraw/zinc/48/02/32/388480232.db2.gz PKHIRWCOAYHIIC-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCN3CCC[C@@H]3C2)CCOC1 ZINC000339075574 388480233 /nfs/dbraw/zinc/48/02/33/388480233.db2.gz PKHIRWCOAYHIIC-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H](O)CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921679 388541573 /nfs/dbraw/zinc/54/15/73/388541573.db2.gz KCPMUAHSLYFXKH-HABKJSAYSA-N 1 3 240.391 1.704 20 0 BDADHO C[C@@H](O)CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921679 388541575 /nfs/dbraw/zinc/54/15/75/388541575.db2.gz KCPMUAHSLYFXKH-HABKJSAYSA-N 1 3 240.391 1.704 20 0 BDADHO C[C@H](N[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCCC[NH2+]1 ZINC000397677116 388489644 /nfs/dbraw/zinc/48/96/44/388489644.db2.gz QSESBEREOPLHAC-WJTVCTBASA-N 1 3 208.349 1.905 20 0 BDADHO CC(C)[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348257872 388527588 /nfs/dbraw/zinc/52/75/88/388527588.db2.gz TZCBCYMSDIAWRP-MELADBBJSA-N 1 3 240.391 1.467 20 0 BDADHO CC(C)[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348257872 388527591 /nfs/dbraw/zinc/52/75/91/388527591.db2.gz TZCBCYMSDIAWRP-MELADBBJSA-N 1 3 240.391 1.467 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)C(C)C ZINC000362977210 388562770 /nfs/dbraw/zinc/56/27/70/388562770.db2.gz PLKXQJCIYVGDEK-JHJVBQTASA-N 1 3 228.380 1.765 20 0 BDADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000248055837 388673277 /nfs/dbraw/zinc/67/32/77/388673277.db2.gz XHVBYHSOUQQFBS-HZSPNIEDSA-N 1 3 239.407 1.543 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2F)C1 ZINC000522014323 388674614 /nfs/dbraw/zinc/67/46/14/388674614.db2.gz RYMGLNWJUBUONJ-VPOLOUISSA-N 1 3 200.301 1.737 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530214167 388629542 /nfs/dbraw/zinc/62/95/42/388629542.db2.gz BRFLHMQVDRHVAF-YPMHNXCESA-N 1 3 208.349 1.930 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCNC12CCC2)[C@H]1C[C@H]1C ZINC000530216469 388630372 /nfs/dbraw/zinc/63/03/72/388630372.db2.gz PDVIIQJZFPALBC-WISYIIOYSA-N 1 3 208.349 1.905 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cn1 ZINC000530218107 388630923 /nfs/dbraw/zinc/63/09/23/388630923.db2.gz FDSDLAGQZBNMAC-VXGBXAGGSA-N 1 3 235.331 1.102 20 0 BDADHO c1cc2c(cc1NC1CC[NH2+]CC1)OCCNC2 ZINC000530246925 388639515 /nfs/dbraw/zinc/63/95/15/388639515.db2.gz NBOAHEAQIBCUGT-UHFFFAOYSA-N 1 3 247.342 1.333 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000251469885 388644484 /nfs/dbraw/zinc/64/44/84/388644484.db2.gz VRLUZAMIMVJPDT-ZDEQEGDKSA-N 1 3 226.364 1.255 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(C3CC3)C2)C1 ZINC000250660256 388738795 /nfs/dbraw/zinc/73/87/95/388738795.db2.gz POWJVUFHJJXYND-WOPDTQHZSA-N 1 3 223.364 1.083 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCOC1 ZINC000250832560 388741577 /nfs/dbraw/zinc/74/15/77/388741577.db2.gz JPXKDXXEUODRLV-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000250832560 388741579 /nfs/dbraw/zinc/74/15/79/388741579.db2.gz JPXKDXXEUODRLV-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NCCc2cccnc2)C1 ZINC000086403256 388687216 /nfs/dbraw/zinc/68/72/16/388687216.db2.gz JUEFAQSFQTXMDC-OLZOCXBDSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000086403256 388687220 /nfs/dbraw/zinc/68/72/20/388687220.db2.gz JUEFAQSFQTXMDC-OLZOCXBDSA-N 1 3 219.332 1.484 20 0 BDADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000423372222 388691634 /nfs/dbraw/zinc/69/16/34/388691634.db2.gz GXFAWKORQFTFES-XQQFMLRXSA-N 1 3 236.363 1.731 20 0 BDADHO Cc1ccc(CNCC2CC[NH+](C)CC2)nc1 ZINC000127024447 388711506 /nfs/dbraw/zinc/71/15/06/388711506.db2.gz JMZJFFFOMIUALI-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO C[C@@H]1C[N@H+](CCCN2CCCCC2)CC[C@H]1O ZINC000249297557 388716474 /nfs/dbraw/zinc/71/64/74/388716474.db2.gz BNUSZNCXPSGADQ-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1C[N@@H+](CCCN2CCCCC2)CC[C@H]1O ZINC000249297557 388716475 /nfs/dbraw/zinc/71/64/75/388716475.db2.gz BNUSZNCXPSGADQ-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H](C[NH3+])CNC(=O)c1ccc(CN(C)C)cc1 ZINC000646872305 388719058 /nfs/dbraw/zinc/71/90/58/388719058.db2.gz OZYXLQUTSUYNRF-NSHDSACASA-N 1 3 249.358 1.073 20 0 BDADHO CC[C@@H](C)C[NH2+]CCOCCN(C)C ZINC000230005088 388809961 /nfs/dbraw/zinc/80/99/61/388809961.db2.gz SNISLUNOISTKEU-LLVKDONJSA-N 1 3 202.342 1.200 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](N[C@H]2C[C@@H]2C(F)F)C1 ZINC000565430175 388944892 /nfs/dbraw/zinc/94/48/92/388944892.db2.gz CQTFCUVBAVTZIH-KZVJFYERSA-N 1 3 204.264 1.500 20 0 BDADHO [NH3+][C@H]1CCC[C@H](N[C@H]2CCC[C@H]2F)C1 ZINC000565549778 388953965 /nfs/dbraw/zinc/95/39/65/388953965.db2.gz RYMGLNWJUBUONJ-MMWGEVLESA-N 1 3 200.301 1.737 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2F)C1 ZINC000565549779 388954441 /nfs/dbraw/zinc/95/44/41/388954441.db2.gz RYMGLNWJUBUONJ-YTWAJWBKSA-N 1 3 200.301 1.737 20 0 BDADHO COCc1ccc(CNCCCC[NH+](C)C)o1 ZINC000268789959 389004724 /nfs/dbraw/zinc/00/47/24/389004724.db2.gz LRAOWWKGSGXMKN-UHFFFAOYSA-N 1 3 240.347 1.857 20 0 BDADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451240 533370774 /nfs/dbraw/zinc/37/07/74/533370774.db2.gz VBKYCHRLJVRKNW-YNEHKIRRSA-N 1 3 240.416 1.956 20 0 BDADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451240 533370777 /nfs/dbraw/zinc/37/07/77/533370777.db2.gz VBKYCHRLJVRKNW-YNEHKIRRSA-N 1 3 240.416 1.956 20 0 BDADHO C([NH2+][C@@H]1CCN2CCC[C@@H]2C1)[C@@H]1CCSC1 ZINC000224451240 533370779 /nfs/dbraw/zinc/37/07/79/533370779.db2.gz VBKYCHRLJVRKNW-YNEHKIRRSA-N 1 3 240.416 1.956 20 0 BDADHO C[C@@H](NCCN1CCC(C)CC1)[C@H]1CCC[NH2+]1 ZINC000400764523 533393493 /nfs/dbraw/zinc/39/34/93/533393493.db2.gz YZOCQUYGBWYLQV-ZIAGYGMSSA-N 1 3 239.407 1.448 20 0 BDADHO C[N@H+](CCO)CC1CCN(c2ccncc2)CC1 ZINC000367884184 132282583 /nfs/dbraw/zinc/28/25/83/132282583.db2.gz FVKVDDDGCDQAQM-UHFFFAOYSA-N 1 3 249.358 1.222 20 0 BDADHO C[N@@H+](CCO)CC1CCN(c2ccncc2)CC1 ZINC000367884184 132282585 /nfs/dbraw/zinc/28/25/85/132282585.db2.gz FVKVDDDGCDQAQM-UHFFFAOYSA-N 1 3 249.358 1.222 20 0 BDADHO OCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000034978940 132337394 /nfs/dbraw/zinc/33/73/94/132337394.db2.gz XAVXTSQMTOKKJI-UHFFFAOYSA-N 1 3 235.331 1.022 20 0 BDADHO CC[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000036960342 132343111 /nfs/dbraw/zinc/34/31/11/132343111.db2.gz WLXKMTXACMMUOK-LBPRGKRZSA-N 1 3 249.358 1.411 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)[C@H](C)CN1C ZINC000351925671 134007381 /nfs/dbraw/zinc/00/73/81/134007381.db2.gz FHQYIAVJIWIBDQ-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)[C@H](C)CN1C ZINC000351925671 134007382 /nfs/dbraw/zinc/00/73/82/134007382.db2.gz FHQYIAVJIWIBDQ-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO CCCN(CCO)CC[C@H]1CCC[N@@H+]1C ZINC000305707178 134160856 /nfs/dbraw/zinc/16/08/56/134160856.db2.gz YVGWAXIDRBFTEG-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO CCCN(CCO)CC[C@H]1CCC[N@H+]1C ZINC000305707178 134160857 /nfs/dbraw/zinc/16/08/57/134160857.db2.gz YVGWAXIDRBFTEG-GFCCVEGCSA-N 1 3 214.353 1.175 20 0 BDADHO OC1(C[NH2+][C@@H]2CCCNCC2)CCCCC1 ZINC000168763803 134247968 /nfs/dbraw/zinc/24/79/68/134247968.db2.gz AJGNGFLHUACGIN-GFCCVEGCSA-N 1 3 226.364 1.413 20 0 BDADHO OC1(CN[C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000168763803 134247969 /nfs/dbraw/zinc/24/79/69/134247969.db2.gz AJGNGFLHUACGIN-GFCCVEGCSA-N 1 3 226.364 1.413 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCOCCN(C)C)[C@@H](C)C1 ZINC000219322743 134281283 /nfs/dbraw/zinc/28/12/83/134281283.db2.gz OOEVUCUEQCJXDK-RDBSUJKOSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@](C)(CCO)[NH2+]C[C@H]1CCCNC1 ZINC000220390396 134306363 /nfs/dbraw/zinc/30/63/63/134306363.db2.gz LAHGVJFWPFSMAO-NWDGAFQWSA-N 1 3 214.353 1.127 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223925947 134343569 /nfs/dbraw/zinc/34/35/69/134343569.db2.gz SPEJUXBDBMSOIX-IRCOFANPSA-N 1 3 214.353 1.340 20 0 BDADHO CO[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223925947 134343570 /nfs/dbraw/zinc/34/35/70/134343570.db2.gz SPEJUXBDBMSOIX-IRCOFANPSA-N 1 3 214.353 1.340 20 0 BDADHO C[NH2+]CCCN(C)C[C@@H]1CCSC1 ZINC000224620196 134349501 /nfs/dbraw/zinc/34/95/01/134349501.db2.gz GTUGJRDUHMXNIE-JTQLQIEISA-N 1 3 202.367 1.281 20 0 BDADHO CNCCC[N@H+](C)C[C@@H]1CCSC1 ZINC000224620196 134349502 /nfs/dbraw/zinc/34/95/02/134349502.db2.gz GTUGJRDUHMXNIE-JTQLQIEISA-N 1 3 202.367 1.281 20 0 BDADHO CNCCC[N@@H+](C)C[C@@H]1CCSC1 ZINC000224620196 134349503 /nfs/dbraw/zinc/34/95/03/134349503.db2.gz GTUGJRDUHMXNIE-JTQLQIEISA-N 1 3 202.367 1.281 20 0 BDADHO CC(C)OCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000224989386 134352210 /nfs/dbraw/zinc/35/22/10/134352210.db2.gz XNZGBETVCPVEQX-CHWSQXEVSA-N 1 3 228.380 1.909 20 0 BDADHO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000227430359 134380271 /nfs/dbraw/zinc/38/02/71/134380271.db2.gz LWYXLIKNPJKLRU-JHJVBQTASA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227824307 134389215 /nfs/dbraw/zinc/38/92/15/134389215.db2.gz UZMLCYFRVLLQKE-RVMXOQNASA-N 1 3 224.348 1.380 20 0 BDADHO C[C@@H]1OCC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227824307 134389216 /nfs/dbraw/zinc/38/92/16/134389216.db2.gz UZMLCYFRVLLQKE-RVMXOQNASA-N 1 3 224.348 1.380 20 0 BDADHO CN(C)C(C)(C)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250681776 135057939 /nfs/dbraw/zinc/05/79/39/135057939.db2.gz ACADFWCLNGWPQD-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C(C)(C)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250681776 135057941 /nfs/dbraw/zinc/05/79/41/135057941.db2.gz ACADFWCLNGWPQD-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO COC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000251080347 135063042 /nfs/dbraw/zinc/06/30/42/135063042.db2.gz HMSPJKQFWJVXSM-WOPDTQHZSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251113394 135064364 /nfs/dbraw/zinc/06/43/64/135064364.db2.gz PJLBJCAMTRHNSM-IGQOVBAYSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000251113394 135064365 /nfs/dbraw/zinc/06/43/65/135064365.db2.gz PJLBJCAMTRHNSM-IGQOVBAYSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251228821 135065812 /nfs/dbraw/zinc/06/58/12/135065812.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251228821 135065814 /nfs/dbraw/zinc/06/58/14/135065814.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000251228821 135065817 /nfs/dbraw/zinc/06/58/17/135065817.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000251228821 135065818 /nfs/dbraw/zinc/06/58/18/135065818.db2.gz PUHGDRDOVSKPQF-XQQFMLRXSA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](CCO)N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000251207047 135066422 /nfs/dbraw/zinc/06/64/22/135066422.db2.gz LSFZVQPSOKPXHW-ZOBORPQBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000251207047 135066423 /nfs/dbraw/zinc/06/64/23/135066423.db2.gz LSFZVQPSOKPXHW-ZOBORPQBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](CCO)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251243117 135067277 /nfs/dbraw/zinc/06/72/77/135067277.db2.gz SMIMYGBSKZNCEU-JHJVBQTASA-N 1 3 228.380 1.658 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000252716811 135102704 /nfs/dbraw/zinc/10/27/04/135102704.db2.gz ZECGGVQOYGZCFW-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H](C)OC)C1 ZINC000252716811 135102706 /nfs/dbraw/zinc/10/27/06/135102706.db2.gz ZECGGVQOYGZCFW-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H](C)OC)C1 ZINC000252716811 135102709 /nfs/dbraw/zinc/10/27/09/135102709.db2.gz ZECGGVQOYGZCFW-SDDRHHMPSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc2c(c1)OCCO2 ZINC000258842937 135104199 /nfs/dbraw/zinc/10/41/99/135104199.db2.gz WLXUCKXAMVTYSL-JTQLQIEISA-N 1 3 236.315 1.142 20 0 BDADHO CSC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000252917612 135116743 /nfs/dbraw/zinc/11/67/43/135116743.db2.gz XLVXGWUHFDDXOW-LPEHRKFASA-N 1 3 202.367 1.455 20 0 BDADHO C([C@H]1CCCOC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000257673714 135138532 /nfs/dbraw/zinc/13/85/32/135138532.db2.gz JEOCGPBGTNUWTB-KGLIPLIRSA-N 1 3 238.375 1.489 20 0 BDADHO Cc1noc(C)c1CN1CCC2(C1)CC[NH2+]CC2 ZINC000257654709 135138726 /nfs/dbraw/zinc/13/87/26/135138726.db2.gz FAICCJGJKUSOCJ-UHFFFAOYSA-N 1 3 249.358 1.867 20 0 BDADHO Cc1nn(C)cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000257741650 135140662 /nfs/dbraw/zinc/14/06/62/135140662.db2.gz ZAELQRPRSRJINM-UHFFFAOYSA-N 1 3 248.374 1.304 20 0 BDADHO C([C@@H]1CCCOC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257741631 135140983 /nfs/dbraw/zinc/14/09/83/135140983.db2.gz YZNVDTSEKMVKHY-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO Cc1cc(C)c(C[N@H+](C)C[C@@H](O)CN)c(C)c1 ZINC000259221199 135141936 /nfs/dbraw/zinc/14/19/36/135141936.db2.gz XOJFJHJZEZSKDL-ZDUSSCGKSA-N 1 3 236.359 1.363 20 0 BDADHO Cc1cc(C)c(C[N@@H+](C)C[C@@H](O)CN)c(C)c1 ZINC000259221199 135141937 /nfs/dbraw/zinc/14/19/37/135141937.db2.gz XOJFJHJZEZSKDL-ZDUSSCGKSA-N 1 3 236.359 1.363 20 0 BDADHO N[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000261527803 135152770 /nfs/dbraw/zinc/15/27/70/135152770.db2.gz HIAGPPAMAFRAHG-ZJUUUORDSA-N 1 3 200.351 1.163 20 0 BDADHO N[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261527803 135152771 /nfs/dbraw/zinc/15/27/71/135152771.db2.gz HIAGPPAMAFRAHG-ZJUUUORDSA-N 1 3 200.351 1.163 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000261530377 135157367 /nfs/dbraw/zinc/15/73/67/135157367.db2.gz ZDILWBHXJZHVMM-LPEHRKFASA-N 1 3 200.351 1.209 20 0 BDADHO CC[C@H](COC)NC[C@@H]1CCC[NH2+]C1 ZINC000087647339 135161169 /nfs/dbraw/zinc/16/11/69/135161169.db2.gz OJJMUJLZDZGFOM-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO CC[C@H](COC)[NH2+]C[C@@H]1CCCNC1 ZINC000087647339 135161171 /nfs/dbraw/zinc/16/11/71/135161171.db2.gz OJJMUJLZDZGFOM-GHMZBOCLSA-N 1 3 200.326 1.001 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000087667676 135162261 /nfs/dbraw/zinc/16/22/61/135162261.db2.gz LYHXPYPYOBLPQZ-SRVKXCTJSA-N 1 3 228.405 1.989 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261532135 135162671 /nfs/dbraw/zinc/16/26/71/135162671.db2.gz JHCGBMNTONWLLS-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)CC[C@H]1N ZINC000261532135 135162673 /nfs/dbraw/zinc/16/26/73/135162673.db2.gz JHCGBMNTONWLLS-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)CC[C@H]1N ZINC000261532135 135162675 /nfs/dbraw/zinc/16/26/75/135162675.db2.gz JHCGBMNTONWLLS-IJLUTSLNSA-N 1 3 212.337 1.082 20 0 BDADHO CN(CC[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000261533689 135165661 /nfs/dbraw/zinc/16/56/61/135165661.db2.gz KAQNKDPROJECQL-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[N@H+](CC[C@@H]1CCCO1)C[C@H]1CCCNC1 ZINC000261533689 135165662 /nfs/dbraw/zinc/16/56/62/135165662.db2.gz KAQNKDPROJECQL-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[N@@H+](CC[C@@H]1CCCO1)C[C@H]1CCCNC1 ZINC000261533689 135165664 /nfs/dbraw/zinc/16/56/64/135165664.db2.gz KAQNKDPROJECQL-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000261534249 135166414 /nfs/dbraw/zinc/16/64/14/135166414.db2.gz OYWQAZLMGWDNNL-MROQNXINSA-N 1 3 226.364 1.532 20 0 BDADHO CC1(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000261534692 135168198 /nfs/dbraw/zinc/16/81/98/135168198.db2.gz MXSSEKWTNDCVIZ-RYUDHWBXSA-N 1 3 208.349 1.860 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCOC1 ZINC000087783690 135169713 /nfs/dbraw/zinc/16/97/13/135169713.db2.gz NIMMBYUPDUNYNV-KKOKHZNYSA-N 1 3 212.337 1.094 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCOC1 ZINC000087783690 135169714 /nfs/dbraw/zinc/16/97/14/135169714.db2.gz NIMMBYUPDUNYNV-KKOKHZNYSA-N 1 3 212.337 1.094 20 0 BDADHO C[C@H]([NH2+][C@H]1CCC[C@H]1CN)C1CCOCC1 ZINC000261535433 135169918 /nfs/dbraw/zinc/16/99/18/135169918.db2.gz YVGZDIXEOAOPIS-DRZSPHRISA-N 1 3 226.364 1.519 20 0 BDADHO Cc1ccccc1C[N@H+]1CC[C@@H](N)[C@@H]1C ZINC000261536394 135172145 /nfs/dbraw/zinc/17/21/45/135172145.db2.gz ROLNNQWVQFDLHN-WCQYABFASA-N 1 3 204.317 1.917 20 0 BDADHO Cc1ccccc1C[N@@H+]1CC[C@@H](N)[C@@H]1C ZINC000261536394 135172147 /nfs/dbraw/zinc/17/21/47/135172147.db2.gz ROLNNQWVQFDLHN-WCQYABFASA-N 1 3 204.317 1.917 20 0 BDADHO Cc1noc(C)c1CNCC[C@@H]1CCC[NH2+]C1 ZINC000261538150 135175935 /nfs/dbraw/zinc/17/59/35/135175935.db2.gz JMDYZTNZTCAARQ-LBPRGKRZSA-N 1 3 237.347 1.771 20 0 BDADHO COC(=O)C(C)(C)CN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000261540964 135180173 /nfs/dbraw/zinc/18/01/73/135180173.db2.gz ASKKACRIPZFZER-MNOVXSKESA-N 1 3 242.363 1.306 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOCC2CC2)C1 ZINC000261551045 135190500 /nfs/dbraw/zinc/19/05/00/135190500.db2.gz PZWIUMPATRHCCO-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOCC(F)(F)F ZINC000084222084 135192671 /nfs/dbraw/zinc/19/26/71/135192671.db2.gz LUSSOFCNCGCDJO-DTWKUNHWSA-N 1 3 240.269 1.282 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000084222084 135192673 /nfs/dbraw/zinc/19/26/73/135192673.db2.gz LUSSOFCNCGCDJO-DTWKUNHWSA-N 1 3 240.269 1.282 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000084217635 135192904 /nfs/dbraw/zinc/19/29/04/135192904.db2.gz MJWVYQZVSVNYLY-KBPBESRZSA-N 1 3 218.344 1.946 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000084216858 135193269 /nfs/dbraw/zinc/19/32/69/135193269.db2.gz XLHLPRFAKBDXPV-STQMWFEESA-N 1 3 226.364 1.520 20 0 BDADHO Cc1ccc(O)c(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000261554640 135194695 /nfs/dbraw/zinc/19/46/95/135194695.db2.gz BAAHUFOLXLNSFE-SDDRHHMPSA-N 1 3 247.342 1.265 20 0 BDADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccccc3)C[C@@H]12 ZINC000261558205 135198488 /nfs/dbraw/zinc/19/84/88/135198488.db2.gz CZMBIXKLBILUPF-BPLDGKMQSA-N 1 3 246.354 1.735 20 0 BDADHO C[C@@H]1CCSCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261557881 135198743 /nfs/dbraw/zinc/19/87/43/135198743.db2.gz XTXLFYRUZHDCGQ-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CCSCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261557881 135198746 /nfs/dbraw/zinc/19/87/46/135198746.db2.gz XTXLFYRUZHDCGQ-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1CCSCCN1C[C@@H]1CCC[NH2+]C1 ZINC000261557881 135198747 /nfs/dbraw/zinc/19/87/47/135198747.db2.gz XTXLFYRUZHDCGQ-VXGBXAGGSA-N 1 3 228.405 1.813 20 0 BDADHO COCC1(C[NH2+][C@H]2CCCC[C@@H]2CN)CCC1 ZINC000261565081 135206849 /nfs/dbraw/zinc/20/68/49/135206849.db2.gz YESHHEZOPFKLMZ-OLZOCXBDSA-N 1 3 240.391 1.910 20 0 BDADHO Nc1cccc(CN2CC[C@H](C[NH3+])C2)c1 ZINC000261586520 135227760 /nfs/dbraw/zinc/22/77/60/135227760.db2.gz RDJOZSDHYRJWRQ-LLVKDONJSA-N 1 3 205.305 1.049 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261591163 135231810 /nfs/dbraw/zinc/23/18/10/135231810.db2.gz VCQZCABLUQSLFG-XQQFMLRXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC000261591163 135231811 /nfs/dbraw/zinc/23/18/11/135231811.db2.gz VCQZCABLUQSLFG-XQQFMLRXSA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CN ZINC000261591084 135231821 /nfs/dbraw/zinc/23/18/21/135231821.db2.gz UYGCTBQJFWYTSU-VOAKCMCISA-N 1 3 226.364 1.519 20 0 BDADHO CCC1(CO)CC[NH+](CC(C)(C)N)CC1 ZINC000261599723 135237921 /nfs/dbraw/zinc/23/79/21/135237921.db2.gz ZZBZGPBSAYHMPC-UHFFFAOYSA-N 1 3 214.353 1.208 20 0 BDADHO Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261547812 135241108 /nfs/dbraw/zinc/24/11/08/135241108.db2.gz IOYNKAGDZPKHKC-QWHCGFSZSA-N 1 3 236.363 1.299 20 0 BDADHO CC1(C[N@@H+]2CC[C@@H](N3CCNCC3)C2)CCC1 ZINC000261548232 135242147 /nfs/dbraw/zinc/24/21/47/135242147.db2.gz JDRDJBIMYGLKSF-CYBMUJFWSA-N 1 3 237.391 1.156 20 0 BDADHO CC1(C[N@H+]2CC[C@@H](N3CCNCC3)C2)CCC1 ZINC000261548232 135242148 /nfs/dbraw/zinc/24/21/48/135242148.db2.gz JDRDJBIMYGLKSF-CYBMUJFWSA-N 1 3 237.391 1.156 20 0 BDADHO CC[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261782121 135252948 /nfs/dbraw/zinc/25/29/48/135252948.db2.gz FLQVKWLWDABNJI-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCCNCC1 ZINC000261782121 135252950 /nfs/dbraw/zinc/25/29/50/135252950.db2.gz FLQVKWLWDABNJI-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO c1nc(C2CCN(C[C@@H]3CCC[NH2+]C3)CC2)c[nH]1 ZINC000261790366 135253379 /nfs/dbraw/zinc/25/33/79/135253379.db2.gz GDWJZDZXOZVHFF-GFCCVEGCSA-N 1 3 248.374 1.589 20 0 BDADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H]1CCCNC1 ZINC000261831540 135256191 /nfs/dbraw/zinc/25/61/91/135256191.db2.gz JCDBMTOAFZEQDD-SYQHCUMBSA-N 1 3 240.391 1.467 20 0 BDADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H]1CCCNC1 ZINC000261831540 135256193 /nfs/dbraw/zinc/25/61/93/135256193.db2.gz JCDBMTOAFZEQDD-SYQHCUMBSA-N 1 3 240.391 1.467 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(CC[C@@H]2CCOC2)C1 ZINC000261827443 135256522 /nfs/dbraw/zinc/25/65/22/135256522.db2.gz IVWQYMLMGCGOSX-OLZOCXBDSA-N 1 3 226.364 1.344 20 0 BDADHO C[C@@]1(CN2CC[C@]3(CCOC3)C2)CC[NH2+]C1 ZINC000261882890 135259758 /nfs/dbraw/zinc/25/97/58/135259758.db2.gz RINBNJCQOCZPQN-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO CC(C)[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCN1C ZINC000261936998 135264701 /nfs/dbraw/zinc/26/47/01/135264701.db2.gz MFDGBZADELVYAV-KBPBESRZSA-N 1 3 239.407 1.258 20 0 BDADHO CN(CC[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261948454 135265131 /nfs/dbraw/zinc/26/51/31/135265131.db2.gz FQPVHTSTAKKGPG-QWHCGFSZSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000262046559 135275865 /nfs/dbraw/zinc/27/58/65/135275865.db2.gz YZBGGKAOJAXBEZ-AVGNSLFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000262046559 135275867 /nfs/dbraw/zinc/27/58/67/135275867.db2.gz YZBGGKAOJAXBEZ-AVGNSLFASA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000262046562 135276224 /nfs/dbraw/zinc/27/62/24/135276224.db2.gz YZBGGKAOJAXBEZ-RWMBFGLXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000262046562 135276226 /nfs/dbraw/zinc/27/62/26/135276226.db2.gz YZBGGKAOJAXBEZ-RWMBFGLXSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H](C(=O)NC(C)(C)C[NH3+])N1CCCCCC1 ZINC000262513962 135303451 /nfs/dbraw/zinc/30/34/51/135303451.db2.gz QHSFPUAJAXALBD-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000262718091 135315412 /nfs/dbraw/zinc/31/54/12/135315412.db2.gz WZJKEBFEAOFQHO-YPMHNXCESA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H]1CCC[C@H](C)N1CCNC1=[NH+]CCCN1 ZINC000263161823 135336402 /nfs/dbraw/zinc/33/64/02/135336402.db2.gz OZRXGLWVANIZTE-RYUDHWBXSA-N 1 3 238.379 1.188 20 0 BDADHO C([C@@H]1CCCOC1)[N@@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000299893955 135381211 /nfs/dbraw/zinc/38/12/11/135381211.db2.gz QWILHNZOHWUPLU-YNEHKIRRSA-N 1 3 224.348 1.097 20 0 BDADHO C([C@@H]1CCCOC1)[N@H+]1C[C@H]2CCCN[C@@H]2C1 ZINC000299893955 135381213 /nfs/dbraw/zinc/38/12/13/135381213.db2.gz QWILHNZOHWUPLU-YNEHKIRRSA-N 1 3 224.348 1.097 20 0 BDADHO Cc1cn[nH]c1CN1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335349023 136068033 /nfs/dbraw/zinc/06/80/33/136068033.db2.gz OAXNZQDYFNNMPM-ZYHUDNBSSA-N 1 3 222.336 1.135 20 0 BDADHO Cn1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000335372282 136083900 /nfs/dbraw/zinc/08/39/00/136083900.db2.gz QEVIWASSZVEWTL-CQSZACIVSA-N 1 3 248.374 1.242 20 0 BDADHO Clc1ccc2c(c1)C[C@@H](NCC1C[NH2+]C1)C2 ZINC000335553431 136098597 /nfs/dbraw/zinc/09/85/97/136098597.db2.gz WAMISJZVLZAGPO-ZDUSSCGKSA-N 1 3 236.746 1.616 20 0 BDADHO Clc1ccc2c(c1)C[C@@H]([NH2+]CC1CNC1)C2 ZINC000335553431 136098598 /nfs/dbraw/zinc/09/85/98/136098598.db2.gz WAMISJZVLZAGPO-ZDUSSCGKSA-N 1 3 236.746 1.616 20 0 BDADHO CO[C@H](C)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335571675 136109747 /nfs/dbraw/zinc/10/97/47/136109747.db2.gz ZNIKERQHRUTZGJ-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO CO[C@H](C)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335571675 136109748 /nfs/dbraw/zinc/10/97/48/136109748.db2.gz ZNIKERQHRUTZGJ-NEPJUHHUSA-N 1 3 212.337 1.049 20 0 BDADHO CCN1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000383887215 398047758 /nfs/dbraw/zinc/04/77/58/398047758.db2.gz TXEYVJPFKJNIPF-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO CC(C)OCCC[N@H+](C)CC(C)(C)N ZINC000382856207 397984448 /nfs/dbraw/zinc/98/44/48/397984448.db2.gz LIPYKQOYMRVBMC-UHFFFAOYSA-N 1 3 202.342 1.471 20 0 BDADHO CC(C)OCCC[N@@H+](C)CC(C)(C)N ZINC000382856207 397984449 /nfs/dbraw/zinc/98/44/49/397984449.db2.gz LIPYKQOYMRVBMC-UHFFFAOYSA-N 1 3 202.342 1.471 20 0 BDADHO C[NH2+]CCCN[C@@H](COC)CC(C)C ZINC000414857871 398066013 /nfs/dbraw/zinc/06/60/13/398066013.db2.gz GJKUFSFANLKXIN-LLVKDONJSA-N 1 3 202.342 1.247 20 0 BDADHO CNCCC[NH2+][C@@H](COC)CC(C)C ZINC000414857871 398066017 /nfs/dbraw/zinc/06/60/17/398066017.db2.gz GJKUFSFANLKXIN-LLVKDONJSA-N 1 3 202.342 1.247 20 0 BDADHO COCc1cccc(C[NH2+]CC2(N)CCC2)c1 ZINC000414879674 398078934 /nfs/dbraw/zinc/07/89/34/398078934.db2.gz IPLMEKKFSOHNMN-UHFFFAOYSA-N 1 3 234.343 1.804 20 0 BDADHO Fc1ccccc1CNCC[C@@H]1CC[NH2+]C1 ZINC000258891296 322878104 /nfs/dbraw/zinc/87/81/04/322878104.db2.gz CNSFICZTVDLLQA-NSHDSACASA-N 1 3 222.307 1.915 20 0 BDADHO CC(C)NCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037610311 487560904 /nfs/dbraw/zinc/56/09/04/487560904.db2.gz XQBNXZSXMLUWLL-UHFFFAOYSA-N 1 3 249.358 1.685 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CC)C2)CCO1 ZINC000070356918 487589353 /nfs/dbraw/zinc/58/93/53/487589353.db2.gz OZQWIKWLHYHXBE-MELADBBJSA-N 1 3 240.391 1.875 20 0 BDADHO c1csc(CNCCC[C@H]2CCC[NH2+]2)n1 ZINC000308975733 487603309 /nfs/dbraw/zinc/60/33/09/487603309.db2.gz GOIYUSLENFKYBF-JTQLQIEISA-N 1 3 225.361 1.765 20 0 BDADHO CO[C@H](C[N@@H+]1CCCNCC1)C1CCCCC1 ZINC000662241719 409528847 /nfs/dbraw/zinc/52/88/47/409528847.db2.gz WBNRDFGZOPJERN-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO CO[C@H](C[N@H+]1CCCNCC1)C1CCCCC1 ZINC000662241719 409528852 /nfs/dbraw/zinc/52/88/52/409528852.db2.gz WBNRDFGZOPJERN-CQSZACIVSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@](C[NH3+])(NCCO[C@H]1CC1(F)F)C1CC1 ZINC000662246649 409544665 /nfs/dbraw/zinc/54/46/65/409544665.db2.gz ADZXQJRVCBUIOA-UWVGGRQHSA-N 1 3 234.290 1.128 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@@H](OC)C2CCC2)C1 ZINC000662247162 409545191 /nfs/dbraw/zinc/54/51/91/409545191.db2.gz UKRGGAIIMMZYNE-WCQYABFASA-N 1 3 226.364 1.343 20 0 BDADHO CC(C)[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256058 409551282 /nfs/dbraw/zinc/55/12/82/409551282.db2.gz IZHHWEZDQJOHJN-ZDUSSCGKSA-N 1 3 238.375 1.770 20 0 BDADHO CC(C)[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256058 409551292 /nfs/dbraw/zinc/55/12/92/409551292.db2.gz IZHHWEZDQJOHJN-ZDUSSCGKSA-N 1 3 238.375 1.770 20 0 BDADHO CO[C@H](CN1CCC(C)([NH3+])CC1)C1CCC1 ZINC000662271464 409575445 /nfs/dbraw/zinc/57/54/45/409575445.db2.gz UUOWTWFBJPXWOP-GFCCVEGCSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@H](C[NH2+][C@H](C)[C@@H](C)O)CN1CCCC1 ZINC000087129793 487612061 /nfs/dbraw/zinc/61/20/61/487612061.db2.gz YMZQAYTXLQNXTI-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@H](CN[C@H](C)[C@@H](C)O)C[NH+]1CCCC1 ZINC000087129793 487612067 /nfs/dbraw/zinc/61/20/67/487612067.db2.gz YMZQAYTXLQNXTI-IJLUTSLNSA-N 1 3 214.353 1.077 20 0 BDADHO c1ccc2c(c1)CNCCN2C[C@]12C[C@H]1C[NH2+]C2 ZINC000663495483 410274602 /nfs/dbraw/zinc/27/46/02/410274602.db2.gz YFTSUELNMQBVIC-DZGCQCFKSA-N 1 3 243.354 1.206 20 0 BDADHO Cc1nc(CNCCC2(C[NH3+])CC2)cs1 ZINC000650711949 410343118 /nfs/dbraw/zinc/34/31/18/410343118.db2.gz KRCTYKRBJILYSU-UHFFFAOYSA-N 1 3 225.361 1.670 20 0 BDADHO C[C@]1(CN[C@H]2CNc3ccccc3C2)CC[NH2+]C1 ZINC000650714987 410346761 /nfs/dbraw/zinc/34/67/61/410346761.db2.gz KLGBGXKZIMYQKT-HIFRSBDPSA-N 1 3 245.370 1.612 20 0 BDADHO C[C@@H]1CNC[C@H]([NH2+][C@@H]2CNc3ccccc3C2)C1 ZINC000650715314 410350747 /nfs/dbraw/zinc/35/07/47/410350747.db2.gz XXORCFSNTIXIBP-YUTCNCBUSA-N 1 3 245.370 1.611 20 0 BDADHO CC[C@@H](COC)NCc1ccccc1C[NH2+]C ZINC000650720173 410358489 /nfs/dbraw/zinc/35/84/89/410358489.db2.gz HAABUZPQSRCYBI-AWEZNQCLSA-N 1 3 236.359 1.921 20 0 BDADHO C[C@H](NCCC1(C[NH3+])CC1)c1ccccn1 ZINC000650745638 410383057 /nfs/dbraw/zinc/38/30/57/410383057.db2.gz KWYRVYMAWCEPJG-NSHDSACASA-N 1 3 219.332 1.861 20 0 BDADHO Cc1nccnc1[C@@H](C)NCCC1(C[NH3+])CC1 ZINC000650747276 410387316 /nfs/dbraw/zinc/38/73/16/410387316.db2.gz WNDTXMLIWSZSEZ-SNVBAGLBSA-N 1 3 234.347 1.565 20 0 BDADHO CO[C@@H](C)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665244495 410729623 /nfs/dbraw/zinc/72/96/23/410729623.db2.gz OYWQAZLMGWDNNL-ZDEQEGDKSA-N 1 3 226.364 1.532 20 0 BDADHO CCCN1CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000665273841 410743142 /nfs/dbraw/zinc/74/31/42/410743142.db2.gz FLIVTRNSRDDYQT-WOPDTQHZSA-N 1 3 213.369 1.186 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H]1CCCO1 ZINC000665282381 410760113 /nfs/dbraw/zinc/76/01/13/410760113.db2.gz WTDJSUXIZRFQSW-IJLUTSLNSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc(N)c1 ZINC000653299416 410818632 /nfs/dbraw/zinc/81/86/32/410818632.db2.gz SUAAUWQMZRGCLT-GXFFZTMASA-N 1 3 219.332 1.580 20 0 BDADHO [NH3+]CCCN1CCC[C@@H](OC2CCC2)C1 ZINC000655946497 411161018 /nfs/dbraw/zinc/16/10/18/411161018.db2.gz MGOMUSSGZAFDGC-GFCCVEGCSA-N 1 3 212.337 1.369 20 0 BDADHO COC[C@H](NCCC[N@H+](C)CC(C)C)C1CC1 ZINC000652221973 411175733 /nfs/dbraw/zinc/17/57/33/411175733.db2.gz BCWRHCRBDCUXOX-AWEZNQCLSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H](NCCC[N@@H+](C)CC(C)C)C1CC1 ZINC000652221973 411175735 /nfs/dbraw/zinc/17/57/35/411175735.db2.gz BCWRHCRBDCUXOX-AWEZNQCLSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H]([NH2+]CCCN(C)CC(C)C)C1CC1 ZINC000652221973 411175738 /nfs/dbraw/zinc/17/57/38/411175738.db2.gz BCWRHCRBDCUXOX-AWEZNQCLSA-N 1 3 242.407 1.979 20 0 BDADHO CCC(C)(C)N1CCN(CC(C)(C)[NH3+])CC1 ZINC000656193412 411198167 /nfs/dbraw/zinc/19/81/67/411198167.db2.gz KVDKQCREHAWRHI-UHFFFAOYSA-N 1 3 227.396 1.530 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CNc3ccccc3C2)C1 ZINC000656193779 411199422 /nfs/dbraw/zinc/19/94/22/411199422.db2.gz RPZLELKLJOKLEP-RDBSUJKOSA-N 1 3 245.370 1.883 20 0 BDADHO CCC1(O)CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000656198195 411203010 /nfs/dbraw/zinc/20/30/10/411203010.db2.gz MKGMHEBMVJEMAR-RJZJGCCBSA-N 1 3 240.391 1.930 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000656198155 411203232 /nfs/dbraw/zinc/20/32/32/411203232.db2.gz HUNOTZJMADKSIZ-NDBYEHHHSA-N 1 3 226.364 1.397 20 0 BDADHO COCC1(CN[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000656200021 411205074 /nfs/dbraw/zinc/20/50/74/411205074.db2.gz IJVHIZPPNUNCQR-QWRGUYRKSA-N 1 3 212.337 1.001 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000310226847 411227127 /nfs/dbraw/zinc/22/71/27/411227127.db2.gz GXBCTAHBSTYIQL-CHWSQXEVSA-N 1 3 242.407 1.808 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C1(C)CC1 ZINC000310226847 411227129 /nfs/dbraw/zinc/22/71/29/411227129.db2.gz GXBCTAHBSTYIQL-CHWSQXEVSA-N 1 3 242.407 1.808 20 0 BDADHO C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000423173582 411235933 /nfs/dbraw/zinc/23/59/33/411235933.db2.gz ZGYOWLUECJAZIS-NAWOPXAZSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCN1 ZINC000423173582 411235939 /nfs/dbraw/zinc/23/59/39/411235939.db2.gz ZGYOWLUECJAZIS-NAWOPXAZSA-N 1 3 208.349 1.905 20 0 BDADHO CC[C@@H](NC[C@@H](C)CCOC)[C@@H]1CCC[NH2+]1 ZINC000423173520 411236265 /nfs/dbraw/zinc/23/62/65/411236265.db2.gz ZCAIKETZOZKWET-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO CC[C@@H]([NH2+]C[C@@H](C)CCOC)[C@@H]1CCCN1 ZINC000423173520 411236269 /nfs/dbraw/zinc/23/62/69/411236269.db2.gz ZCAIKETZOZKWET-XQQFMLRXSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)(C)[C@@H](N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457226 411266233 /nfs/dbraw/zinc/26/62/33/411266233.db2.gz TUMPKXJWLARLDT-NSHDSACASA-N 1 3 237.351 1.249 20 0 BDADHO CCO[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000051889762 411285858 /nfs/dbraw/zinc/28/58/58/411285858.db2.gz QMIRMCQQHAWJDK-NEPJUHHUSA-N 1 3 212.337 1.097 20 0 BDADHO CC[N@H+](C[C@H](N)CC(C)C)[C@H]1CCCOC1 ZINC000402727408 411310506 /nfs/dbraw/zinc/31/05/06/411310506.db2.gz ZTBTWJHDXFSOGJ-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO CC[N@@H+](C[C@H](N)CC(C)C)[C@H]1CCCOC1 ZINC000402727408 411310508 /nfs/dbraw/zinc/31/05/08/411310508.db2.gz ZTBTWJHDXFSOGJ-OLZOCXBDSA-N 1 3 228.380 1.861 20 0 BDADHO NCc1cccc2c1N(CCC[NH3+])CCC2 ZINC000629558958 411324463 /nfs/dbraw/zinc/32/44/63/411324463.db2.gz BKJMDAFVKILWEX-UHFFFAOYSA-N 1 3 219.332 1.247 20 0 BDADHO C[NH+](C)CCCCN[C@@H]1CCCn2ccnc21 ZINC000655702920 411253199 /nfs/dbraw/zinc/25/31/99/411253199.db2.gz GJPIMQGZJVHVCH-GFCCVEGCSA-N 1 3 236.363 1.649 20 0 BDADHO [NH3+]CCCN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656792153 411372788 /nfs/dbraw/zinc/37/27/88/411372788.db2.gz OOMZNBCICUNZAE-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656792153 411372790 /nfs/dbraw/zinc/37/27/90/411372790.db2.gz OOMZNBCICUNZAE-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO NCCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000656792153 411372794 /nfs/dbraw/zinc/37/27/94/411372794.db2.gz OOMZNBCICUNZAE-CHWSQXEVSA-N 1 3 226.364 1.616 20 0 BDADHO CC[C@@H]1CN(CCC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000403851489 411363460 /nfs/dbraw/zinc/36/34/60/411363460.db2.gz WRCSRLIGLWIKNJ-TZMCWYRMSA-N 1 3 240.391 1.875 20 0 BDADHO CC(C)([NH3+])CNc1ccc([C@H]2CNCCO2)cc1 ZINC000656791395 411369989 /nfs/dbraw/zinc/36/99/89/411369989.db2.gz FDZSXRMKWNKMFT-CYBMUJFWSA-N 1 3 249.358 1.497 20 0 BDADHO [NH3+]CCCN1CCC([C@@H]2CCCCO2)CC1 ZINC000656791496 411370721 /nfs/dbraw/zinc/37/07/21/411370721.db2.gz HXSKAFQZCKBNTG-ZDUSSCGKSA-N 1 3 226.364 1.616 20 0 BDADHO [NH3+]CCCN1CCC([C@H]2CCCCO2)CC1 ZINC000656791494 411371137 /nfs/dbraw/zinc/37/11/37/411371137.db2.gz HXSKAFQZCKBNTG-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO CC(C)N(C)C[C@H](O)C[NH2+]CCc1ccoc1 ZINC000656714146 411338413 /nfs/dbraw/zinc/33/84/13/411338413.db2.gz LSLYYWPTBUSWIQ-CYBMUJFWSA-N 1 3 240.347 1.113 20 0 BDADHO CC1(C)[C@@H]2CN(C[C@@]3(C)CC[NH2+]C3)C[C@@H]21 ZINC000261555108 168012463 /nfs/dbraw/zinc/01/24/63/168012463.db2.gz URZTWXFQMHGSRS-LOWVWBTDSA-N 1 3 208.349 1.574 20 0 BDADHO Cc1cnccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000129720018 411377533 /nfs/dbraw/zinc/37/75/33/411377533.db2.gz CBUATVDLMMHOCK-QWHCGFSZSA-N 1 3 219.332 1.750 20 0 BDADHO CC1CCN(CCNC2CC[NH2+]CC2)CC1 ZINC000040772212 168180861 /nfs/dbraw/zinc/18/08/61/168180861.db2.gz FBFOIZVYHALEBF-UHFFFAOYSA-N 1 3 225.380 1.060 20 0 BDADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)CN(C)C ZINC000346285343 168301334 /nfs/dbraw/zinc/30/13/34/168301334.db2.gz YNSWBCDCQLWJRW-MNOVXSKESA-N 1 3 243.395 1.219 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CO1 ZINC000657308328 411457845 /nfs/dbraw/zinc/45/78/45/411457845.db2.gz ZLDKPKVDGYBSDE-MBNYWOFBSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)CO1 ZINC000657308328 411457846 /nfs/dbraw/zinc/45/78/46/411457846.db2.gz ZLDKPKVDGYBSDE-MBNYWOFBSA-N 1 3 238.375 1.628 20 0 BDADHO COCCOCCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404384940 411392606 /nfs/dbraw/zinc/39/26/06/411392606.db2.gz NWOVVTMSFZSPSD-STQMWFEESA-N 1 3 244.379 1.099 20 0 BDADHO COCCCC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404427705 411396115 /nfs/dbraw/zinc/39/61/15/411396115.db2.gz MRNCJLMHBREFJU-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO COCCCC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000404427705 411396117 /nfs/dbraw/zinc/39/61/17/411396117.db2.gz MRNCJLMHBREFJU-STQMWFEESA-N 1 3 228.380 1.862 20 0 BDADHO COC[C@H](C)C[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404491664 411399118 /nfs/dbraw/zinc/39/91/18/411399118.db2.gz BGEWAIGNIFYKKZ-FRRDWIJNSA-N 1 3 228.380 1.718 20 0 BDADHO COC[C@H](C)C[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000404491664 411399120 /nfs/dbraw/zinc/39/91/20/411399120.db2.gz BGEWAIGNIFYKKZ-FRRDWIJNSA-N 1 3 228.380 1.718 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CCC2(CC2)CC1 ZINC000653593572 411427755 /nfs/dbraw/zinc/42/77/55/411427755.db2.gz GAKVCCUTEQSPCU-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CCC2(CC2)CC1 ZINC000653593572 411427757 /nfs/dbraw/zinc/42/77/57/411427757.db2.gz GAKVCCUTEQSPCU-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@@H]1C[C@H](N[C@@H](C)CC[NH+](C)C)CO1 ZINC000657334428 411464072 /nfs/dbraw/zinc/46/40/72/411464072.db2.gz ABURESFQPAFJEK-SDDRHHMPSA-N 1 3 214.353 1.484 20 0 BDADHO CC[C@H]1C[C@H]([NH2+]CCCN2CCCC2)CO1 ZINC000657295824 411454135 /nfs/dbraw/zinc/45/41/35/411454135.db2.gz JRDJXCXRVRHRIL-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO CC[C@H]1C[C@H](NCCC[NH+]2CCCC2)CO1 ZINC000657295824 411454138 /nfs/dbraw/zinc/45/41/38/411454138.db2.gz JRDJXCXRVRHRIL-STQMWFEESA-N 1 3 226.364 1.629 20 0 BDADHO CO[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1 ZINC000659850907 411476924 /nfs/dbraw/zinc/47/69/24/411476924.db2.gz WONXYAVVUSYQHF-MJBXVCDLSA-N 1 3 238.375 1.343 20 0 BDADHO CC[C@H](N)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414978534 411478300 /nfs/dbraw/zinc/47/83/00/411478300.db2.gz MGXCAAKIUWFZAB-LBPRGKRZSA-N 1 3 245.330 1.094 20 0 BDADHO c1cc(N2CCC([NH2+][C@@H]3CCOC3)CC2)ccn1 ZINC000131352355 411490263 /nfs/dbraw/zinc/49/02/63/411490263.db2.gz HTBXPBWHRMZRDU-CYBMUJFWSA-N 1 3 247.342 1.429 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CN ZINC000306285659 411508972 /nfs/dbraw/zinc/50/89/72/411508972.db2.gz JXUADLHGQYTHAD-NAKRPEOUSA-N 1 3 214.378 1.597 20 0 BDADHO Cc1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nn1C ZINC000655825155 411527065 /nfs/dbraw/zinc/52/70/65/411527065.db2.gz YNOCCWRBUAZWRR-BJHJDKERSA-N 1 3 236.363 1.158 20 0 BDADHO Cc1noc(C)c1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826465 411529803 /nfs/dbraw/zinc/52/98/03/411529803.db2.gz WSJIAWQMAGQWPP-TXEJJXNPSA-N 1 3 237.347 1.721 20 0 BDADHO CC[N@H+]1CC[C@@H](N(C)CCCO)C[C@@H]1C ZINC000336650803 170009223 /nfs/dbraw/zinc/00/92/23/170009223.db2.gz TVUZJAMTSLRBLA-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CCN1CC[C@@H](C[NH2+]Cc2cccn2C)C1 ZINC000050595869 170008101 /nfs/dbraw/zinc/00/81/01/170008101.db2.gz HFPNKLHBXNRHLT-LBPRGKRZSA-N 1 3 221.348 1.457 20 0 BDADHO CCN1CC[C@@H](C[NH2+]CC2(OC)CCCC2)C1 ZINC000319508464 170008676 /nfs/dbraw/zinc/00/86/76/170008676.db2.gz XGCGZMJGKOGPLT-ZDUSSCGKSA-N 1 3 240.391 1.877 20 0 BDADHO CC[N@@H+]1CC[C@@H](N(C)CCCO)C[C@@H]1C ZINC000336650803 170009222 /nfs/dbraw/zinc/00/92/22/170009222.db2.gz TVUZJAMTSLRBLA-NWDGAFQWSA-N 1 3 214.353 1.173 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)C(C)C)C[C@@H]1C ZINC000336710123 170018063 /nfs/dbraw/zinc/01/80/63/170018063.db2.gz OUVFDSAHVKAFNK-IHRRRGAJSA-N 1 3 242.407 1.808 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)C(C)C)C[C@@H]1C ZINC000336710123 170018064 /nfs/dbraw/zinc/01/80/64/170018064.db2.gz OUVFDSAHVKAFNK-IHRRRGAJSA-N 1 3 242.407 1.808 20 0 BDADHO CC[N@@H+]1CC[C@H](NCCOC(C)C)[C@H](C)C1 ZINC000120531694 170020821 /nfs/dbraw/zinc/02/08/21/170020821.db2.gz DUSBSCPYPNTXIF-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CC[N@H+]1CC[C@H](NCCOC(C)C)[C@H](C)C1 ZINC000120531694 170020824 /nfs/dbraw/zinc/02/08/24/170020824.db2.gz DUSBSCPYPNTXIF-OLZOCXBDSA-N 1 3 228.380 1.731 20 0 BDADHO CCOCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336655777 170374803 /nfs/dbraw/zinc/37/48/03/170374803.db2.gz AAMJCZMEFGUDAM-GFCCVEGCSA-N 1 3 212.337 1.098 20 0 BDADHO COC[C@@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659189 411614417 /nfs/dbraw/zinc/61/44/17/411614417.db2.gz NLYSBKXYQBSYSD-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO COC[C@@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659189 411614418 /nfs/dbraw/zinc/61/44/18/411614418.db2.gz NLYSBKXYQBSYSD-CHWSQXEVSA-N 1 3 226.364 1.439 20 0 BDADHO CC[C@H](O)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660022 411615257 /nfs/dbraw/zinc/61/52/57/411615257.db2.gz SLEBMCJAUFAYRZ-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@H](O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660022 411615258 /nfs/dbraw/zinc/61/52/58/411615258.db2.gz SLEBMCJAUFAYRZ-QWHCGFSZSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCCCCO)C2 ZINC000660658160 411615376 /nfs/dbraw/zinc/61/53/76/411615376.db2.gz DAZQKWLUHQUFEA-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCCCCO)C2 ZINC000660658160 411615378 /nfs/dbraw/zinc/61/53/78/411615378.db2.gz DAZQKWLUHQUFEA-CQSZACIVSA-N 1 3 240.391 1.567 20 0 BDADHO CN1CC[C@H]([NH2+]CCOCCF)[C@H]2CCC[C@H]21 ZINC000663459426 411661911 /nfs/dbraw/zinc/66/19/11/411661911.db2.gz CEJQNCUAHUTXNH-FRRDWIJNSA-N 1 3 244.354 1.435 20 0 BDADHO C[N@@H+]1CC[C@H](NCCOCCF)[C@H]2CCC[C@H]21 ZINC000663459426 411661915 /nfs/dbraw/zinc/66/19/15/411661915.db2.gz CEJQNCUAHUTXNH-FRRDWIJNSA-N 1 3 244.354 1.435 20 0 BDADHO C[N@H+]1CC[C@H](NCCOCCF)[C@H]2CCC[C@H]21 ZINC000663459426 411661918 /nfs/dbraw/zinc/66/19/18/411661918.db2.gz CEJQNCUAHUTXNH-FRRDWIJNSA-N 1 3 244.354 1.435 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCCF)CC[N@@H+]1C ZINC000663460672 411662548 /nfs/dbraw/zinc/66/25/48/411662548.db2.gz CMFSLRZFOUERLC-MNOVXSKESA-N 1 3 218.316 1.045 20 0 BDADHO C[C@@H]1C[C@@H](NCCOCCF)CC[N@H+]1C ZINC000663460672 411662552 /nfs/dbraw/zinc/66/25/52/411662552.db2.gz CMFSLRZFOUERLC-MNOVXSKESA-N 1 3 218.316 1.045 20 0 BDADHO CN1CC[C@H]([NH2+]CCOCCF)[C@H]2CCC[C@@H]21 ZINC000663459424 411662996 /nfs/dbraw/zinc/66/29/96/411662996.db2.gz CEJQNCUAHUTXNH-AGIUHOORSA-N 1 3 244.354 1.435 20 0 BDADHO C[N@@H+]1CC[C@H](NCCOCCF)[C@H]2CCC[C@@H]21 ZINC000663459424 411663000 /nfs/dbraw/zinc/66/30/00/411663000.db2.gz CEJQNCUAHUTXNH-AGIUHOORSA-N 1 3 244.354 1.435 20 0 BDADHO C[N@H+]1CC[C@H](NCCOCCF)[C@H]2CCC[C@@H]21 ZINC000663459424 411663013 /nfs/dbraw/zinc/66/30/13/411663013.db2.gz CEJQNCUAHUTXNH-AGIUHOORSA-N 1 3 244.354 1.435 20 0 BDADHO CC(C)(C)N1CCC([NH2+]CCOCCF)CC1 ZINC000663462779 411665492 /nfs/dbraw/zinc/66/54/92/411665492.db2.gz HBQJTEIRIKWCNT-UHFFFAOYSA-N 1 3 246.370 1.825 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000663497318 411679015 /nfs/dbraw/zinc/67/90/15/411679015.db2.gz DQZCBHCEGQCUHQ-CQLXCSJHSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CCC[C@@H](NCC23CC(C2)C[NH2+]3)C1 ZINC000663497318 411679017 /nfs/dbraw/zinc/67/90/17/411679017.db2.gz DQZCBHCEGQCUHQ-CQLXCSJHSA-N 1 3 208.349 1.907 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@H](C)CC1CCOCC1 ZINC000663512091 411694921 /nfs/dbraw/zinc/69/49/21/411694921.db2.gz FHYDBRYJKDZTPR-GHMZBOCLSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@@H](C)CCC(F)(F)F ZINC000663513537 411695052 /nfs/dbraw/zinc/69/50/52/411695052.db2.gz KZHLXOQOUQXBAQ-JGVFFNPUSA-N 1 3 212.259 1.915 20 0 BDADHO CC(C)CC1(NC[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000662066335 411967819 /nfs/dbraw/zinc/96/78/19/411967819.db2.gz JQQCRLGCZGKHOJ-ZDUSSCGKSA-N 1 3 242.407 1.856 20 0 BDADHO CC(C)CC1(NC[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000662066335 411967824 /nfs/dbraw/zinc/96/78/24/411967824.db2.gz JQQCRLGCZGKHOJ-ZDUSSCGKSA-N 1 3 242.407 1.856 20 0 BDADHO CCC[C@@H](C)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151735 412008559 /nfs/dbraw/zinc/00/85/59/412008559.db2.gz JWZXLWYWXYJAMT-OCCSQVGLSA-N 1 3 240.391 1.706 20 0 BDADHO CCC[C@@H](C)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151735 412008560 /nfs/dbraw/zinc/00/85/60/412008560.db2.gz JWZXLWYWXYJAMT-OCCSQVGLSA-N 1 3 240.391 1.706 20 0 BDADHO Cn1cncc1CCC[NH2+][C@@](C)(CN)C1CC1 ZINC000662248183 412047737 /nfs/dbraw/zinc/04/77/37/412047737.db2.gz VVPLJXRUFRIAMF-ZDUSSCGKSA-N 1 3 236.363 1.070 20 0 BDADHO CC(C)C[N@H+](C[C@@H]1CCC2(CNC2)O1)C(C)C ZINC000662253454 412049367 /nfs/dbraw/zinc/04/93/67/412049367.db2.gz WBKXNSPXHZYRMJ-ZDUSSCGKSA-N 1 3 240.391 1.874 20 0 BDADHO CC(C)C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C(C)C ZINC000662253454 412049371 /nfs/dbraw/zinc/04/93/71/412049371.db2.gz WBKXNSPXHZYRMJ-ZDUSSCGKSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]([N@H+](C)C[C@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253135 412049429 /nfs/dbraw/zinc/04/94/29/412049429.db2.gz WLSDUSCUYILEOF-VXGBXAGGSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]([N@@H+](C)C[C@H]1CCC2(CNC2)O1)C(C)(C)C ZINC000662253135 412049432 /nfs/dbraw/zinc/04/94/32/412049432.db2.gz WLSDUSCUYILEOF-VXGBXAGGSA-N 1 3 240.391 1.874 20 0 BDADHO CC[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253474 412049990 /nfs/dbraw/zinc/04/99/90/412049990.db2.gz WGZCHNKODHACDB-MNOVXSKESA-N 1 3 212.337 1.238 20 0 BDADHO CC[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662253474 412049991 /nfs/dbraw/zinc/04/99/91/412049991.db2.gz WGZCHNKODHACDB-MNOVXSKESA-N 1 3 212.337 1.238 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[N@@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255412 412050928 /nfs/dbraw/zinc/05/09/28/412050928.db2.gz OZKKJVVAZYSICU-FRRDWIJNSA-N 1 3 236.359 1.524 20 0 BDADHO C([C@H]1CCC2(CNC2)O1)[N@H+]1[C@H]2CC[C@@H]1CCC2 ZINC000662255412 412050931 /nfs/dbraw/zinc/05/09/31/412050931.db2.gz OZKKJVVAZYSICU-FRRDWIJNSA-N 1 3 236.359 1.524 20 0 BDADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662255472 412051054 /nfs/dbraw/zinc/05/10/54/412051054.db2.gz PTTWEOACDYWJSY-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662255472 412051056 /nfs/dbraw/zinc/05/10/56/412051056.db2.gz PTTWEOACDYWJSY-NEPJUHHUSA-N 1 3 226.364 1.485 20 0 BDADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662257450 412052309 /nfs/dbraw/zinc/05/23/09/412052309.db2.gz SDPUCDSOJXLNGA-LBPRGKRZSA-N 1 3 224.348 1.382 20 0 BDADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662257450 412052313 /nfs/dbraw/zinc/05/23/13/412052313.db2.gz SDPUCDSOJXLNGA-LBPRGKRZSA-N 1 3 224.348 1.382 20 0 BDADHO Cc1nocc1CN1CCC[C@H](CC[NH3+])C1 ZINC000662270960 412062628 /nfs/dbraw/zinc/06/26/28/412062628.db2.gz COMSRNSBFTXPIW-LLVKDONJSA-N 1 3 223.320 1.544 20 0 BDADHO CO[C@@H](C[N@@H+]1CC[C@@](C)(CN)C1)C1CCC1 ZINC000662272270 412063505 /nfs/dbraw/zinc/06/35/05/412063505.db2.gz DAFKUWGNXWOPDZ-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@@H](C[N@H+]1CC[C@@](C)(CN)C1)C1CCC1 ZINC000662272270 412063511 /nfs/dbraw/zinc/06/35/11/412063511.db2.gz DAFKUWGNXWOPDZ-STQMWFEESA-N 1 3 226.364 1.472 20 0 BDADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662280441 412071166 /nfs/dbraw/zinc/07/11/66/412071166.db2.gz DNPZAIXKCHWEHI-QJPTWQEYSA-N 1 3 226.364 1.532 20 0 BDADHO COC[C@H](C[N@@H+]1CCC[C@H](C)[C@@H]1CCN)OC ZINC000662285311 412077149 /nfs/dbraw/zinc/07/71/49/412077149.db2.gz JJFNYFSUVPYCRL-AVGNSLFASA-N 1 3 244.379 1.097 20 0 BDADHO COC[C@H](C[N@H+]1CCC[C@H](C)[C@@H]1CCN)OC ZINC000662285311 412077154 /nfs/dbraw/zinc/07/71/54/412077154.db2.gz JJFNYFSUVPYCRL-AVGNSLFASA-N 1 3 244.379 1.097 20 0 BDADHO CO[C@H](CN[C@@H]1CCCC[C@H]1[NH3+])C1CCC1 ZINC000662283905 412075532 /nfs/dbraw/zinc/07/55/32/412075532.db2.gz RJHWWHFAQNIITK-JHJVBQTASA-N 1 3 226.364 1.661 20 0 BDADHO CCO[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000662283591 412076058 /nfs/dbraw/zinc/07/60/58/412076058.db2.gz AYPVMNQLDHNEER-XVIXHAIJSA-N 1 3 238.375 1.328 20 0 BDADHO CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1CN ZINC000662283591 412076063 /nfs/dbraw/zinc/07/60/63/412076063.db2.gz AYPVMNQLDHNEER-XVIXHAIJSA-N 1 3 238.375 1.328 20 0 BDADHO CC[C@H](NC)C(=O)Nc1cccc(C[NH3+])c1 ZINC000662393280 412143114 /nfs/dbraw/zinc/14/31/14/412143114.db2.gz SHKUZWWESRTAMV-NSHDSACASA-N 1 3 221.304 1.082 20 0 BDADHO FCC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000662312187 412094123 /nfs/dbraw/zinc/09/41/23/412094123.db2.gz XAZLQCWLYBTLIF-NWDGAFQWSA-N 1 3 214.328 1.668 20 0 BDADHO CC[C@H](C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321250 412099779 /nfs/dbraw/zinc/09/97/79/412099779.db2.gz ABDOHHFZIOJOOE-STQMWFEESA-N 1 3 228.380 1.828 20 0 BDADHO CC(C)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319928 412100700 /nfs/dbraw/zinc/10/07/00/412100700.db2.gz QSWXCPJDBLBMOX-LBPRGKRZSA-N 1 3 214.353 1.437 20 0 BDADHO CO[C@@H](C)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000665244728 412189510 /nfs/dbraw/zinc/18/95/10/412189510.db2.gz VBSACFWNWZXJHX-TVYUQYBPSA-N 1 3 220.316 1.756 20 0 BDADHO C[C@H](CC[NH3+])NC(=O)C[C@H]1NCc2ccccc21 ZINC000662552895 412214966 /nfs/dbraw/zinc/21/49/66/412214966.db2.gz UZORQYZPQKSTQM-ZWNOBZJWSA-N 1 3 247.342 1.075 20 0 BDADHO COC[C@@H](NCC1([NH3+])CCCC1)C(C)C ZINC000665248949 412195512 /nfs/dbraw/zinc/19/55/12/412195512.db2.gz GJUAOZSMZUQNFQ-LLVKDONJSA-N 1 3 214.353 1.519 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665263553 412207199 /nfs/dbraw/zinc/20/71/99/412207199.db2.gz OZIJIFRGYMDWDF-NEPJUHHUSA-N 1 3 208.305 1.539 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NCCc1ccoc1 ZINC000665263553 412207203 /nfs/dbraw/zinc/20/72/03/412207203.db2.gz OZIJIFRGYMDWDF-NEPJUHHUSA-N 1 3 208.305 1.539 20 0 BDADHO NC[C@@H]1CCC[C@H]1[NH2+]CCc1ccoc1 ZINC000665263554 412208005 /nfs/dbraw/zinc/20/80/05/412208005.db2.gz OZIJIFRGYMDWDF-NWDGAFQWSA-N 1 3 208.305 1.539 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCc1ccoc1 ZINC000665263554 412208007 /nfs/dbraw/zinc/20/80/07/412208007.db2.gz OZIJIFRGYMDWDF-NWDGAFQWSA-N 1 3 208.305 1.539 20 0 BDADHO COCc1csc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000665263687 412208091 /nfs/dbraw/zinc/20/80/91/412208091.db2.gz RXIZEJJDDRZRQI-VXGBXAGGSA-N 1 3 240.372 1.864 20 0 BDADHO C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(F)F ZINC000665265565 412208652 /nfs/dbraw/zinc/20/86/52/412208652.db2.gz YJATZHISLJTOOW-KJLIAQIISA-N 1 3 230.302 1.904 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1ccccc1C[NH2+]C ZINC000662399251 412147119 /nfs/dbraw/zinc/14/71/19/412147119.db2.gz QOGOJEORKRDBPS-LLVKDONJSA-N 1 3 235.331 1.343 20 0 BDADHO Cc1cncc(CCN[C@H](C)C[C@H](C)[NH3+])n1 ZINC000665273780 412213890 /nfs/dbraw/zinc/21/38/90/412213890.db2.gz DFUSNABRKRTYTE-VHSXEESVSA-N 1 3 222.336 1.043 20 0 BDADHO CN(C)CCNc1ccc(C2=CC[NH2+]CC2)cn1 ZINC000629722848 412161913 /nfs/dbraw/zinc/16/19/13/412161913.db2.gz FMRYQAZOEJXODZ-UHFFFAOYSA-N 1 3 246.358 1.432 20 0 BDADHO COC1CC(CC[NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000665229774 412168701 /nfs/dbraw/zinc/16/87/01/412168701.db2.gz CHOBACVEXJFRDT-QYNFOATHSA-N 1 3 214.353 1.517 20 0 BDADHO C[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccn1 ZINC000665232633 412169969 /nfs/dbraw/zinc/16/99/69/412169969.db2.gz QPYRGZBCDAYYFG-NTZNESFSSA-N 1 3 219.332 1.655 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000422748082 412173453 /nfs/dbraw/zinc/17/34/53/412173453.db2.gz RVTYXAUTYQXZPN-OFTGVCEQSA-N 1 3 224.348 1.413 20 0 BDADHO CCCN1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000665274610 412216993 /nfs/dbraw/zinc/21/69/93/412216993.db2.gz UKMZCXYTGMCUMS-XQQFMLRXSA-N 1 3 225.380 1.201 20 0 BDADHO CCCN1CC[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000665274244 412217227 /nfs/dbraw/zinc/21/72/27/412217227.db2.gz MGQZTSFFPDPSFV-HZSPNIEDSA-N 1 3 239.407 1.448 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)C1CCCC1 ZINC000665275272 412219005 /nfs/dbraw/zinc/21/90/05/412219005.db2.gz GLCOPAVVXMGGQT-HZSPNIEDSA-N 1 3 240.391 1.909 20 0 BDADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])C1CCCC1 ZINC000665275203 412219720 /nfs/dbraw/zinc/21/97/20/412219720.db2.gz FFIBBJZQQOCHCN-DMDPSCGWSA-N 1 3 228.380 1.907 20 0 BDADHO CO[C@H](CN[C@@H](C)C1C[NH2+]C1)C1CCCC1 ZINC000665275524 412219982 /nfs/dbraw/zinc/21/99/82/412219982.db2.gz MJOYAWJSWIAWCJ-GXFFZTMASA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@H](C[NH2+][C@@H](C)C1CNC1)C1CCCC1 ZINC000665275524 412219986 /nfs/dbraw/zinc/21/99/86/412219986.db2.gz MJOYAWJSWIAWCJ-GXFFZTMASA-N 1 3 226.364 1.389 20 0 BDADHO CC(C)[C@@H]([NH2+]CC12CC(C1)CN2)C1CC1 ZINC000665277492 412221917 /nfs/dbraw/zinc/22/19/17/412221917.db2.gz CPGUEFOTICTBGW-YXMLORGKSA-N 1 3 208.349 1.763 20 0 BDADHO CC(C)[C@@H](NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000665277492 412221921 /nfs/dbraw/zinc/22/19/21/412221921.db2.gz CPGUEFOTICTBGW-YXMLORGKSA-N 1 3 208.349 1.763 20 0 BDADHO CO[C@H]1CCC[C@@H]([NH2+]CC23CC(C2)CN3)C1 ZINC000665279986 412224210 /nfs/dbraw/zinc/22/42/10/412224210.db2.gz QUGQVWIKVSTXKP-QBHFIFKDSA-N 1 3 224.348 1.286 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)c1cnccc1N ZINC000665281367 412226759 /nfs/dbraw/zinc/22/67/59/412226759.db2.gz AJVUNRNIVBBOBL-CMPLNLGQSA-N 1 3 236.363 1.518 20 0 BDADHO COCCC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665280856 412227040 /nfs/dbraw/zinc/22/70/40/412227040.db2.gz NCQUTENIUKVBRK-VXGBXAGGSA-N 1 3 216.369 1.765 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@@H](C)C1CCSCC1 ZINC000665297955 412245187 /nfs/dbraw/zinc/24/51/87/412245187.db2.gz PAJVBALAMSJBOO-ZJUUUORDSA-N 1 3 216.394 1.716 20 0 BDADHO C[NH2+]C[C@H](C)N[C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000665298126 412246313 /nfs/dbraw/zinc/24/63/13/412246313.db2.gz SEXXYDTXBKJJCX-RFQIPJPRSA-N 1 3 240.391 1.779 20 0 BDADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000662927168 412348625 /nfs/dbraw/zinc/34/86/25/412348625.db2.gz UOJVWMAIEUDHLJ-VXGBXAGGSA-N 1 3 243.395 1.062 20 0 BDADHO CN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352669586 173004405 /nfs/dbraw/zinc/00/44/05/173004405.db2.gz BBJDJFMQACOZJA-MGPQQGTHSA-N 1 3 240.391 1.706 20 0 BDADHO CN(CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[C@H]1O ZINC000352669586 173004408 /nfs/dbraw/zinc/00/44/08/173004408.db2.gz BBJDJFMQACOZJA-MGPQQGTHSA-N 1 3 240.391 1.706 20 0 BDADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361590999 173028102 /nfs/dbraw/zinc/02/81/02/173028102.db2.gz WZFICYAFDFFQHX-KGLIPLIRSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000361590999 173028104 /nfs/dbraw/zinc/02/81/04/173028104.db2.gz WZFICYAFDFFQHX-KGLIPLIRSA-N 1 3 248.374 1.614 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)[C@H]1CCOC1 ZINC000336644558 173050556 /nfs/dbraw/zinc/05/05/56/173050556.db2.gz GPYLKKFCILDCJS-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)[C@H]1CCOC1 ZINC000336644558 173050561 /nfs/dbraw/zinc/05/05/61/173050561.db2.gz GPYLKKFCILDCJS-RYUDHWBXSA-N 1 3 212.337 1.191 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H](CO)C(C)(C)C ZINC000309555869 173054565 /nfs/dbraw/zinc/05/45/65/173054565.db2.gz JQRFOFSOCJEKHK-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@H](CO)C(C)(C)C ZINC000309555869 173054567 /nfs/dbraw/zinc/05/45/67/173054567.db2.gz JQRFOFSOCJEKHK-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@H](CO)C(C)(C)C ZINC000309555869 173054569 /nfs/dbraw/zinc/05/45/69/173054569.db2.gz JQRFOFSOCJEKHK-NWDGAFQWSA-N 1 3 228.380 1.467 20 0 BDADHO CN1C[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2C1 ZINC000376504935 173198240 /nfs/dbraw/zinc/19/82/40/173198240.db2.gz FMXWDRXGKHARKZ-TXEJJXNPSA-N 1 3 224.348 1.049 20 0 BDADHO CN1C[C@@H]2C[N@H+](CCOC3CCC3)C[C@@H]2C1 ZINC000376504935 173198245 /nfs/dbraw/zinc/19/82/45/173198245.db2.gz FMXWDRXGKHARKZ-TXEJJXNPSA-N 1 3 224.348 1.049 20 0 BDADHO CNC(=O)C(C)(C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000331978370 173220381 /nfs/dbraw/zinc/22/03/81/173220381.db2.gz MDSYIZVRTQUHON-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO C[NH2+]C1CCN(C[C@@H]2CCCOC2)CC1 ZINC000044981993 173322477 /nfs/dbraw/zinc/32/24/77/173322477.db2.gz DSXCRIOWPUWFOH-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO CNC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000044981993 173322478 /nfs/dbraw/zinc/32/24/78/173322478.db2.gz DSXCRIOWPUWFOH-NSHDSACASA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]CC(=O)Nc1ccc(C)cc1CN(C)C ZINC000237281077 173333622 /nfs/dbraw/zinc/33/36/22/173333622.db2.gz KSYJSJDHMMAZSO-UHFFFAOYSA-N 1 3 235.331 1.215 20 0 BDADHO C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC000121181656 173349146 /nfs/dbraw/zinc/34/91/46/173349146.db2.gz OSZZQIIJOBRINZ-UHFFFAOYSA-N 1 3 249.358 1.088 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000234683735 174143837 /nfs/dbraw/zinc/14/38/37/174143837.db2.gz CLANIFQQQCRZFA-VXGBXAGGSA-N 1 3 228.380 1.766 20 0 BDADHO COCCCCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000336745057 174179161 /nfs/dbraw/zinc/17/91/61/174179161.db2.gz QMJXUTWMQSSCLL-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000336745057 174179163 /nfs/dbraw/zinc/17/91/63/174179163.db2.gz QMJXUTWMQSSCLL-NEPJUHHUSA-N 1 3 214.353 1.472 20 0 BDADHO COCCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368319260 174232283 /nfs/dbraw/zinc/23/22/83/174232283.db2.gz WATKNMNSGGZRFY-LBPRGKRZSA-N 1 3 212.337 1.051 20 0 BDADHO COCCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368319260 174232286 /nfs/dbraw/zinc/23/22/86/174232286.db2.gz WATKNMNSGGZRFY-LBPRGKRZSA-N 1 3 212.337 1.051 20 0 BDADHO COc1ccc(C[NH2+]CCCN(C)C)cc1F ZINC000036923668 175106769 /nfs/dbraw/zinc/10/67/69/175106769.db2.gz SFKIBWDPEOYIKG-UHFFFAOYSA-N 1 3 240.322 1.876 20 0 BDADHO C[C@@H](c1cccnc1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000122318668 176030636 /nfs/dbraw/zinc/03/06/36/176030636.db2.gz WYJDESBQTYMWOO-WOPDTQHZSA-N 1 3 219.332 1.812 20 0 BDADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(CO)c1 ZINC000361184538 176270973 /nfs/dbraw/zinc/27/09/73/176270973.db2.gz SIWYSGKGQUFRHK-IUODEOHRSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(CO)c1 ZINC000361184538 176270975 /nfs/dbraw/zinc/27/09/75/176270975.db2.gz SIWYSGKGQUFRHK-IUODEOHRSA-N 1 3 248.370 1.609 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000251630634 176294086 /nfs/dbraw/zinc/29/40/86/176294086.db2.gz IJCXMGYUXOSRLV-JHJVBQTASA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000251581777 176294815 /nfs/dbraw/zinc/29/48/15/176294815.db2.gz FBMCHMWCWZBNHS-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000227645991 176294891 /nfs/dbraw/zinc/29/48/91/176294891.db2.gz WJPBEEFZFZURDJ-IJLUTSLNSA-N 1 3 212.337 1.095 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1C[C@@H]1CCSC1 ZINC000224622268 176367423 /nfs/dbraw/zinc/36/74/23/176367423.db2.gz AVZOJQYGYCJSHS-VWYCJHECSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1C[C@@H]1CCSC1 ZINC000224622268 176367425 /nfs/dbraw/zinc/36/74/25/176367425.db2.gz AVZOJQYGYCJSHS-VWYCJHECSA-N 1 3 214.378 1.409 20 0 BDADHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)C1CCOCC1 ZINC000235523104 176919623 /nfs/dbraw/zinc/91/96/23/176919623.db2.gz RZDRSMSCOIAQDU-YUTCNCBUSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](c1ccc(F)cc1)N(C)CCOCC[NH3+] ZINC000357031647 177033897 /nfs/dbraw/zinc/03/38/97/177033897.db2.gz RATGSEXHLMIOLH-LLVKDONJSA-N 1 3 240.322 1.794 20 0 BDADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)N ZINC000040920154 177075847 /nfs/dbraw/zinc/07/58/47/177075847.db2.gz CYBUXGHQQNBAOZ-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(C)(C)N ZINC000040920154 177075849 /nfs/dbraw/zinc/07/58/49/177075849.db2.gz CYBUXGHQQNBAOZ-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000308900428 487692889 /nfs/dbraw/zinc/69/28/89/487692889.db2.gz DVSSEIQTJWBEFJ-WHOHXGKFSA-N 1 3 228.405 1.988 20 0 BDADHO C[C@@H](CC(=O)N(C)C)[NH2+]CC1(N)CCCCC1 ZINC000414837994 487693847 /nfs/dbraw/zinc/69/38/47/487693847.db2.gz HXNVJWCFEVWXCU-NSHDSACASA-N 1 3 241.379 1.104 20 0 BDADHO COc1ccccc1CCNCCC[NH3+] ZINC000163279924 487708153 /nfs/dbraw/zinc/70/81/53/487708153.db2.gz NPPAXMRKZDKQGC-UHFFFAOYSA-N 1 3 208.305 1.176 20 0 BDADHO COc1ccccc1CC[NH2+]CCCN ZINC000163279924 487708163 /nfs/dbraw/zinc/70/81/63/487708163.db2.gz NPPAXMRKZDKQGC-UHFFFAOYSA-N 1 3 208.305 1.176 20 0 BDADHO COCC[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336717784 487721137 /nfs/dbraw/zinc/72/11/37/487721137.db2.gz YHQAWUMSEZQVSP-VXGBXAGGSA-N 1 3 212.337 1.097 20 0 BDADHO CC[C@H](O)CNC1CC[NH+](CC(C)C)CC1 ZINC000234060332 487759125 /nfs/dbraw/zinc/75/91/25/487759125.db2.gz XWHIZTMYXDHHDU-ZDUSSCGKSA-N 1 3 228.380 1.467 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253200576 487763175 /nfs/dbraw/zinc/76/31/75/487763175.db2.gz XCXTZMWZWJIXEH-GRYCIOLGSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253200576 487763176 /nfs/dbraw/zinc/76/31/76/487763176.db2.gz XCXTZMWZWJIXEH-GRYCIOLGSA-N 1 3 214.353 1.186 20 0 BDADHO Cn1cccc1[C@H]1CCCN1CCC[NH3+] ZINC000414685452 487817721 /nfs/dbraw/zinc/81/77/21/487817721.db2.gz ZFOCYALGLSHCHQ-GFCCVEGCSA-N 1 3 207.321 1.511 20 0 BDADHO C[C@H]1CCN(CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000414709018 487818572 /nfs/dbraw/zinc/81/85/72/487818572.db2.gz OKPLVPBWFGQAKQ-RYUDHWBXSA-N 1 3 222.336 1.115 20 0 BDADHO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCN ZINC000681639861 487825622 /nfs/dbraw/zinc/82/56/22/487825622.db2.gz HBZDSCJOPJFMNU-CYBMUJFWSA-N 1 3 233.359 1.676 20 0 BDADHO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCN ZINC000681639861 487825625 /nfs/dbraw/zinc/82/56/25/487825625.db2.gz HBZDSCJOPJFMNU-CYBMUJFWSA-N 1 3 233.359 1.676 20 0 BDADHO OCC1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000252697141 487829488 /nfs/dbraw/zinc/82/94/88/487829488.db2.gz FPQMGPQBOGQSKO-YNEHKIRRSA-N 1 3 238.375 1.269 20 0 BDADHO C[C@H](CO)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000121029994 490073655 /nfs/dbraw/zinc/07/36/55/490073655.db2.gz RKGFBIOCJDOXAH-QWHCGFSZSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@H](CO)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121029994 490073659 /nfs/dbraw/zinc/07/36/59/490073659.db2.gz RKGFBIOCJDOXAH-QWHCGFSZSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@H](CO)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000121029994 490073664 /nfs/dbraw/zinc/07/36/64/490073664.db2.gz RKGFBIOCJDOXAH-QWHCGFSZSA-N 1 3 226.364 1.033 20 0 BDADHO CCc1ccccc1[C@H](N)CNCCC[NH3+] ZINC000415063275 487835151 /nfs/dbraw/zinc/83/51/51/487835151.db2.gz HNSWIVCZYUWEAI-CYBMUJFWSA-N 1 3 221.348 1.187 20 0 BDADHO Cc1cccc(C)c1CC[NH2+]CCCN ZINC000415091306 487837372 /nfs/dbraw/zinc/83/73/72/487837372.db2.gz YWNTZIOHIMLVHG-UHFFFAOYSA-N 1 3 206.333 1.784 20 0 BDADHO Cc1cccc(C)c1CCNCCC[NH3+] ZINC000415091306 487837378 /nfs/dbraw/zinc/83/73/78/487837378.db2.gz YWNTZIOHIMLVHG-UHFFFAOYSA-N 1 3 206.333 1.784 20 0 BDADHO [NH3+]CCCNCc1ccc(Cn2cccn2)cc1 ZINC000415122100 487838389 /nfs/dbraw/zinc/83/83/89/487838389.db2.gz NJESHPFTPHLCOK-UHFFFAOYSA-N 1 3 244.342 1.370 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNC1(CO)CCCCC1 ZINC000666654899 487851929 /nfs/dbraw/zinc/85/19/29/487851929.db2.gz CVPYBOZGVNVLOT-GFCCVEGCSA-N 1 3 228.380 1.645 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253200577 487858216 /nfs/dbraw/zinc/85/82/16/487858216.db2.gz XCXTZMWZWJIXEH-IJLUTSLNSA-N 1 3 214.353 1.186 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253200577 487858218 /nfs/dbraw/zinc/85/82/18/487858218.db2.gz XCXTZMWZWJIXEH-IJLUTSLNSA-N 1 3 214.353 1.186 20 0 BDADHO C[C@H]1COCCC[N@@H+]1CCCN1CCCCC1 ZINC000682029258 487883416 /nfs/dbraw/zinc/88/34/16/487883416.db2.gz UBWJKJZNSRGEOL-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO C[C@H]1COCCC[N@H+]1CCCN1CCCCC1 ZINC000682029258 487883419 /nfs/dbraw/zinc/88/34/19/487883419.db2.gz UBWJKJZNSRGEOL-AWEZNQCLSA-N 1 3 240.391 1.973 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCc2cnc3ccccn23)C1 ZINC000666852278 487890698 /nfs/dbraw/zinc/89/06/98/487890698.db2.gz YLVAJBNTNDYOJV-RYUDHWBXSA-N 1 3 244.342 1.694 20 0 BDADHO c1cc(CN[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000666950753 487913070 /nfs/dbraw/zinc/91/30/70/487913070.db2.gz DPTOXEOIMNNALB-LLVKDONJSA-N 1 3 222.357 1.980 20 0 BDADHO C1CC2(CCOCC2)[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000562962887 323036820 /nfs/dbraw/zinc/03/68/20/323036820.db2.gz XVESFSVTBMBPMV-VXGBXAGGSA-N 1 3 224.348 1.287 20 0 BDADHO CC(C)[NH+](CCCN[C@@H](C)[C@H](C)O)C(C)C ZINC000570156009 323051269 /nfs/dbraw/zinc/05/12/69/323051269.db2.gz UOHNIINQXBBSSV-STQMWFEESA-N 1 3 230.396 1.854 20 0 BDADHO Cc1cccc(NC(=O)C[C@H](C)NCCC[NH3+])c1 ZINC000570199902 323052652 /nfs/dbraw/zinc/05/26/52/323052652.db2.gz DVXNTNPZRZAFGS-LBPRGKRZSA-N 1 3 249.358 1.651 20 0 BDADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCN)c1 ZINC000570199902 323052653 /nfs/dbraw/zinc/05/26/53/323052653.db2.gz DVXNTNPZRZAFGS-LBPRGKRZSA-N 1 3 249.358 1.651 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000571103605 323135665 /nfs/dbraw/zinc/13/56/65/323135665.db2.gz FBJPZWLWNHAPQF-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000571103605 323135666 /nfs/dbraw/zinc/13/56/66/323135666.db2.gz FBJPZWLWNHAPQF-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO COCC1(CCN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000571284814 323140296 /nfs/dbraw/zinc/14/02/96/323140296.db2.gz QMGYHQBBHTZSEA-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO Cc1noc(C)c1CC[NH2+]CC(C)(C)N ZINC000571523202 323146703 /nfs/dbraw/zinc/14/67/03/323146703.db2.gz GGYVNCVDHZZOCB-UHFFFAOYSA-N 1 3 211.309 1.161 20 0 BDADHO COC(=O)CCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397263375 323152489 /nfs/dbraw/zinc/15/24/89/323152489.db2.gz IECPHKZERVVSHC-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO COC(=O)CCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397263375 323152490 /nfs/dbraw/zinc/15/24/90/323152490.db2.gz IECPHKZERVVSHC-TUAOUCFPSA-N 1 3 242.363 1.245 20 0 BDADHO CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000395063883 323186731 /nfs/dbraw/zinc/18/67/31/323186731.db2.gz ANPGCXPGAVECGI-NWDGAFQWSA-N 1 3 214.353 1.532 20 0 BDADHO CC[C@H](CCO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395140098 323188707 /nfs/dbraw/zinc/18/87/07/323188707.db2.gz GSXBLUAZKJHEMO-YNEHKIRRSA-N 1 3 228.380 1.515 20 0 BDADHO COC(C)(C)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000535764274 323190771 /nfs/dbraw/zinc/19/07/71/323190771.db2.gz PRABPWFHAVGDKB-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO COC(C)(C)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000535764274 323190772 /nfs/dbraw/zinc/19/07/72/323190772.db2.gz PRABPWFHAVGDKB-LBPRGKRZSA-N 1 3 228.380 1.828 20 0 BDADHO C[N@H+](C[C@@H]1CCCC[C@H]1O)C1CCNCC1 ZINC000328460291 323252221 /nfs/dbraw/zinc/25/22/21/323252221.db2.gz GYGFEHSPBDWGQJ-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CCNCC1 ZINC000328460291 323252223 /nfs/dbraw/zinc/25/22/23/323252223.db2.gz GYGFEHSPBDWGQJ-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO CN(C[C@@H]1CCCC[C@H]1O)C1CC[NH2+]CC1 ZINC000328460291 323252226 /nfs/dbraw/zinc/25/22/26/323252226.db2.gz GYGFEHSPBDWGQJ-WCQYABFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H]1CC([NH2+][C@@H]2CCC[C@H](N)C2)C[C@@H](C)O1 ZINC000572463992 323642223 /nfs/dbraw/zinc/64/22/23/323642223.db2.gz MTLQLNRMAVHJNA-WISYIIOYSA-N 1 3 226.364 1.802 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000227504164 487962267 /nfs/dbraw/zinc/96/22/67/487962267.db2.gz XYMOCFXISOBEHS-TUAOUCFPSA-N 1 3 228.405 1.812 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000530210280 324527111 /nfs/dbraw/zinc/52/71/11/324527111.db2.gz JADDFWCNVDASLC-JHJVBQTASA-N 1 3 226.364 1.663 20 0 BDADHO CC[C@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000253025789 325704051 /nfs/dbraw/zinc/70/40/51/325704051.db2.gz NCFAYMQSUVPCPF-IGQOVBAYSA-N 1 3 240.391 1.658 20 0 BDADHO CCC[C@@](C)(N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000565150550 325862387 /nfs/dbraw/zinc/86/23/87/325862387.db2.gz LSGPZEGNIUHOBA-CYBMUJFWSA-N 1 3 241.379 1.091 20 0 BDADHO N[C@H]1CCCc2cn(CC[C@@H]3CC[NH2+]C3)nc21 ZINC000567673765 326242837 /nfs/dbraw/zinc/24/28/37/326242837.db2.gz GTXMZBORJWTSNR-JQWIXIFHSA-N 1 3 234.347 1.219 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1NCCCC1(C)C ZINC000567925221 326284218 /nfs/dbraw/zinc/28/42/18/326284218.db2.gz GFUPKAUBUADJBY-AXFHLTTASA-N 1 3 241.379 1.007 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CCCc2ccccc2C1 ZINC000568050818 326300090 /nfs/dbraw/zinc/30/00/90/326300090.db2.gz HGZYKVCISPARFD-HNNXBMFYSA-N 1 3 248.370 1.405 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CCCc2ccccc2C1 ZINC000568050818 326300091 /nfs/dbraw/zinc/30/00/91/326300091.db2.gz HGZYKVCISPARFD-HNNXBMFYSA-N 1 3 248.370 1.405 20 0 BDADHO Cc1ncc(C[NH2+]C[C@H]2CCCN(C)C2)n1C ZINC000568414581 326356272 /nfs/dbraw/zinc/35/62/72/326356272.db2.gz OXLDFBFDCDGAMP-GFCCVEGCSA-N 1 3 236.363 1.160 20 0 BDADHO CCCN1CC[C@H](N[C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000400468350 487980403 /nfs/dbraw/zinc/98/04/03/487980403.db2.gz UKMZCXYTGMCUMS-FRRDWIJNSA-N 1 3 225.380 1.201 20 0 BDADHO CC[C@@H](C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682075002 487990332 /nfs/dbraw/zinc/99/03/32/487990332.db2.gz ZLDAVZOBNKKBPF-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CC[C@@H](C)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682075002 487990341 /nfs/dbraw/zinc/99/03/41/487990341.db2.gz ZLDAVZOBNKKBPF-ZIAGYGMSSA-N 1 3 239.407 1.497 20 0 BDADHO CCN1CCN(CC[NH+]2CCCCC2)C[C@H]1C ZINC000677197239 488003107 /nfs/dbraw/zinc/00/31/07/488003107.db2.gz YAUISLOUOPQOLJ-CQSZACIVSA-N 1 3 239.407 1.498 20 0 BDADHO CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)C[C@@H](C)CN ZINC001172745813 974919619 /nfs/dbraw/zinc/91/96/19/974919619.db2.gz KSBBYMZLOJOLRG-NWDGAFQWSA-N 1 3 244.379 1.633 20 0 BDADHO CCOCCN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147435907 488023408 /nfs/dbraw/zinc/02/34/08/488023408.db2.gz YRYLSENWZNCVFI-QWRGUYRKSA-N 1 3 200.326 1.082 20 0 BDADHO C[NH+](C)CC(C)(C)CN[C@H]1COC(C)(C)C1 ZINC000396900361 488062018 /nfs/dbraw/zinc/06/20/18/488062018.db2.gz WIXGQIMDLAROTA-LLVKDONJSA-N 1 3 228.380 1.731 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200680 488066308 /nfs/dbraw/zinc/06/63/08/488066308.db2.gz UFRNJRBXXMIVRV-OOCWMUITSA-N 1 3 210.321 1.166 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000656200682 488066391 /nfs/dbraw/zinc/06/63/91/488066391.db2.gz UFRNJRBXXMIVRV-ROHXPCBUSA-N 1 3 210.321 1.166 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCC1(CO)CCC1 ZINC000643480602 488069639 /nfs/dbraw/zinc/06/96/39/488069639.db2.gz FMTMABVEGOUUDD-NEPJUHHUSA-N 1 3 226.364 1.399 20 0 BDADHO C([C@@H]1CCOC1)[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000257651315 488074732 /nfs/dbraw/zinc/07/47/32/488074732.db2.gz DIZMWEKKWPSAKQ-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO C([C@@H]1CCOC1)[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000257651315 488074727 /nfs/dbraw/zinc/07/47/27/488074727.db2.gz DIZMWEKKWPSAKQ-QWHCGFSZSA-N 1 3 224.348 1.098 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000683110340 488111190 /nfs/dbraw/zinc/11/11/90/488111190.db2.gz MLPJNRMKPAOPIS-CHWSQXEVSA-N 1 3 231.343 1.860 20 0 BDADHO NC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403457659 488124312 /nfs/dbraw/zinc/12/43/12/488124312.db2.gz ZMNYFHPFCFMXIS-GRYCIOLGSA-N 1 3 208.349 1.846 20 0 BDADHO [NH3+]C1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403457659 488124314 /nfs/dbraw/zinc/12/43/14/488124314.db2.gz ZMNYFHPFCFMXIS-GRYCIOLGSA-N 1 3 208.349 1.846 20 0 BDADHO CCN1CCC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000070086534 487537514 /nfs/dbraw/zinc/53/75/14/487537514.db2.gz DCNVHKRCSFVOMG-LLVKDONJSA-N 1 3 241.379 1.104 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+]([C@H]2CCCOC2)CC1 ZINC000683228093 488133965 /nfs/dbraw/zinc/13/39/65/488133965.db2.gz SMXQBZSNOLNVNJ-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+]([C@H]2CCCOC2)CC1 ZINC000683228093 488133970 /nfs/dbraw/zinc/13/39/70/488133970.db2.gz SMXQBZSNOLNVNJ-OLZOCXBDSA-N 1 3 226.364 1.582 20 0 BDADHO [NH3+]C[C@]12CCC[C@H]1CN(CCc1cccnc1)C2 ZINC000394151512 487542589 /nfs/dbraw/zinc/54/25/89/487542589.db2.gz JSBRBMVBGPQSMZ-GJZGRUSLSA-N 1 3 245.370 1.685 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@H+](CCc1cccnc1)C2 ZINC000394151512 487542594 /nfs/dbraw/zinc/54/25/94/487542594.db2.gz JSBRBMVBGPQSMZ-GJZGRUSLSA-N 1 3 245.370 1.685 20 0 BDADHO NC[C@]12CCC[C@H]1C[N@@H+](CCc1cccnc1)C2 ZINC000394151512 487542601 /nfs/dbraw/zinc/54/26/01/487542601.db2.gz JSBRBMVBGPQSMZ-GJZGRUSLSA-N 1 3 245.370 1.685 20 0 BDADHO C[C@@H]1C[C@@H]1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785262 487531483 /nfs/dbraw/zinc/53/14/83/487531483.db2.gz OZEINANGRPAZCA-MCIONIFRSA-N 1 3 240.391 1.685 20 0 BDADHO CCO[C@@H]1C[N@H+](CCC2CCC2)C[C@H]1CN ZINC000405237712 487477071 /nfs/dbraw/zinc/47/70/71/487477071.db2.gz ZNBUFLUTXOHPIZ-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1CN ZINC000405237712 487477079 /nfs/dbraw/zinc/47/70/79/487477079.db2.gz ZNBUFLUTXOHPIZ-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@@H]1CN(CCC2CCC2)C[C@H]1C[NH3+] ZINC000405237712 487477084 /nfs/dbraw/zinc/47/70/84/487477084.db2.gz ZNBUFLUTXOHPIZ-CHWSQXEVSA-N 1 3 226.364 1.472 20 0 BDADHO Cc1nnc(CCN[C@@H]2CCC[C@H]([NH3+])C2)s1 ZINC000391805613 487493333 /nfs/dbraw/zinc/49/33/33/487493333.db2.gz GCTVNRKQMRRUBX-VHSXEESVSA-N 1 3 240.376 1.249 20 0 BDADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCC1(C)C ZINC000381061222 487494358 /nfs/dbraw/zinc/49/43/58/487494358.db2.gz LCTXCTDCWCEFLE-LBPRGKRZSA-N 1 3 228.380 1.562 20 0 BDADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCC1(C)C ZINC000381061222 487494359 /nfs/dbraw/zinc/49/43/59/487494359.db2.gz LCTXCTDCWCEFLE-LBPRGKRZSA-N 1 3 228.380 1.562 20 0 BDADHO CC[C@H](C)CN(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000381070532 487494932 /nfs/dbraw/zinc/49/49/32/487494932.db2.gz ODOVMOSXVAJKIG-QWHCGFSZSA-N 1 3 230.396 1.665 20 0 BDADHO CC[C@H](C)CN(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381070532 487494937 /nfs/dbraw/zinc/49/49/37/487494937.db2.gz ODOVMOSXVAJKIG-QWHCGFSZSA-N 1 3 230.396 1.665 20 0 BDADHO Cc1csc(CCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000086404113 487501002 /nfs/dbraw/zinc/50/10/02/487501002.db2.gz NIQUAPMBFMVWSY-QWRGUYRKSA-N 1 3 239.388 1.854 20 0 BDADHO O[C@H]1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000668779304 487525266 /nfs/dbraw/zinc/52/52/66/487525266.db2.gz BOOFRSJHHVINKQ-MQMHXKEQSA-N 1 3 247.342 1.163 20 0 BDADHO CCN(CC)CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667927905 488160813 /nfs/dbraw/zinc/16/08/13/488160813.db2.gz JVJUTJJAMKDIHT-KGLIPLIRSA-N 1 3 240.391 1.875 20 0 BDADHO COCCCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252418983 487823965 /nfs/dbraw/zinc/82/39/65/487823965.db2.gz XPNLBAOBDMKBDB-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC(C)C[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000669520683 488141850 /nfs/dbraw/zinc/14/18/50/488141850.db2.gz ZPJNKEGCGHLPQU-NWDGAFQWSA-N 1 3 241.379 1.008 20 0 BDADHO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657859292 488153165 /nfs/dbraw/zinc/15/31/65/488153165.db2.gz RYOCUQNBYTZTMP-NWDGAFQWSA-N 1 3 236.363 1.648 20 0 BDADHO C[C@H](CO)CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000678043401 488178450 /nfs/dbraw/zinc/17/84/50/488178450.db2.gz CETILBKSRGGCDZ-GXTWGEPZSA-N 1 3 240.391 1.279 20 0 BDADHO C[C@H](CO)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000678043401 488178455 /nfs/dbraw/zinc/17/84/55/488178455.db2.gz CETILBKSRGGCDZ-GXTWGEPZSA-N 1 3 240.391 1.279 20 0 BDADHO C(C[N@@H+]1CC[C@@H](N2CCNCC2)C1)C1CCC1 ZINC000398671444 488222840 /nfs/dbraw/zinc/22/28/40/488222840.db2.gz SJDDHUPAUGBHOP-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO C(C[N@H+]1CC[C@@H](N2CCNCC2)C1)C1CCC1 ZINC000398671444 488222842 /nfs/dbraw/zinc/22/28/42/488222842.db2.gz SJDDHUPAUGBHOP-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO OC[C@H](CC1CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000678604993 488270863 /nfs/dbraw/zinc/27/08/63/488270863.db2.gz BIQNWGTWGALADC-MELADBBJSA-N 1 3 238.375 1.364 20 0 BDADHO OC[C@H](CC1CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000678604993 488270865 /nfs/dbraw/zinc/27/08/65/488270865.db2.gz BIQNWGTWGALADC-MELADBBJSA-N 1 3 238.375 1.364 20 0 BDADHO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2N)c(C)c1 ZINC000517731011 490144580 /nfs/dbraw/zinc/14/45/80/490144580.db2.gz ZXDUTONVOWBXME-ZIAGYGMSSA-N 1 3 234.343 1.973 20 0 BDADHO COC[C@@H](NCC1([NH3+])CCCC1)C1CC1 ZINC000397996579 490562990 /nfs/dbraw/zinc/56/29/90/490562990.db2.gz CBBVIVFFAQRAPF-LLVKDONJSA-N 1 3 212.337 1.273 20 0 BDADHO COC[C@@H]([NH2+]CC1(N)CCCC1)C1CC1 ZINC000397996579 490562988 /nfs/dbraw/zinc/56/29/88/490562988.db2.gz CBBVIVFFAQRAPF-LLVKDONJSA-N 1 3 212.337 1.273 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000088536901 491104764 /nfs/dbraw/zinc/10/47/64/491104764.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000088536901 491104766 /nfs/dbraw/zinc/10/47/66/491104766.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536901 491104767 /nfs/dbraw/zinc/10/47/67/491104767.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)CCOC)C1 ZINC000088536901 491104768 /nfs/dbraw/zinc/10/47/68/491104768.db2.gz KNKPKLVGKRDNCM-STQMWFEESA-N 1 3 228.380 1.685 20 0 BDADHO Cc1cccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000090320633 491124402 /nfs/dbraw/zinc/12/44/02/491124402.db2.gz VLTOXGJKLZXXNQ-GJZGRUSLSA-N 1 3 230.355 1.955 20 0 BDADHO C[C@H](N[C@H](CCO)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000400704969 533994523 /nfs/dbraw/zinc/99/45/23/533994523.db2.gz KRTRCZFLRYNUHE-QJPTWQEYSA-N 1 3 228.380 1.371 20 0 BDADHO CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220946809 535813698 /nfs/dbraw/zinc/81/36/98/535813698.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220946809 535813699 /nfs/dbraw/zinc/81/36/99/535813699.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220946809 535813700 /nfs/dbraw/zinc/81/37/00/535813700.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CC[C@@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220946809 535813701 /nfs/dbraw/zinc/81/37/01/535813701.db2.gz NETAXUXTSYKSQU-YNEHKIRRSA-N 1 3 226.364 1.173 20 0 BDADHO CCC[C@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000892067870 582784481 /nfs/dbraw/zinc/78/44/81/582784481.db2.gz BELZPHCDMJVGQW-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CN(CCC1CCOCC1)C[C@]1(C)CC[NH2+]C1 ZINC000262111035 536326603 /nfs/dbraw/zinc/32/66/03/536326603.db2.gz WMXJBFPVZHNJJP-CQSZACIVSA-N 1 3 240.391 1.735 20 0 BDADHO CC/C=C/CNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849035254 582836500 /nfs/dbraw/zinc/83/65/00/582836500.db2.gz BOHZEJXIUCABCB-BTDICHCPSA-N 1 3 238.379 1.551 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000226069881 534651644 /nfs/dbraw/zinc/65/16/44/534651644.db2.gz RQUBEKBRZFNOQO-WOPDTQHZSA-N 1 3 228.380 1.501 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@H](CCO)C(C)(C)C ZINC000183686211 536370118 /nfs/dbraw/zinc/37/01/18/536370118.db2.gz CIBRJPTYKNOBCG-CHWSQXEVSA-N 1 3 242.407 1.857 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510106939 528100212 /nfs/dbraw/zinc/10/02/12/528100212.db2.gz WIWZQAZZTHLDOR-BETUJISGSA-N 1 3 228.380 1.828 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510106939 528100213 /nfs/dbraw/zinc/10/02/13/528100213.db2.gz WIWZQAZZTHLDOR-BETUJISGSA-N 1 3 228.380 1.828 20 0 BDADHO CC(C)C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N(C)C ZINC000400758833 528531371 /nfs/dbraw/zinc/53/13/71/528531371.db2.gz XRFIBLPGOHNZBG-BFHYXJOUSA-N 1 3 241.423 1.693 20 0 BDADHO CCN1CCN(CCC[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488422814 529144883 /nfs/dbraw/zinc/14/48/83/529144883.db2.gz ZAQRQXNKENLRAV-UONOGXRCSA-N 1 3 239.407 1.260 20 0 BDADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000252714953 534957649 /nfs/dbraw/zinc/95/76/49/534957649.db2.gz UEARPKZPHJVKFD-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H](C)OC)C1 ZINC000252714953 534957651 /nfs/dbraw/zinc/95/76/51/534957651.db2.gz UEARPKZPHJVKFD-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H](C)OC)C1 ZINC000252714953 534957654 /nfs/dbraw/zinc/95/76/54/534957654.db2.gz UEARPKZPHJVKFD-JHJVBQTASA-N 1 3 228.380 1.731 20 0 BDADHO CC1(C)[C@@H]2C[N@@H+](C[C@H]3CCCNC3)C[C@@H]21 ZINC000261544562 535040474 /nfs/dbraw/zinc/04/04/74/535040474.db2.gz JAYABBOJOOEABU-SDDRHHMPSA-N 1 3 208.349 1.574 20 0 BDADHO CC1(C)[C@@H]2C[N@H+](C[C@H]3CCCNC3)C[C@@H]21 ZINC000261544562 535040476 /nfs/dbraw/zinc/04/04/76/535040476.db2.gz JAYABBOJOOEABU-SDDRHHMPSA-N 1 3 208.349 1.574 20 0 BDADHO CC(C)COCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261540677 535177352 /nfs/dbraw/zinc/17/73/52/535177352.db2.gz HBYNSQKINFBVAB-MJBXVCDLSA-N 1 3 240.391 1.718 20 0 BDADHO CC(C)(N)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261978166 535197816 /nfs/dbraw/zinc/19/78/16/535197816.db2.gz RBMURRHPGLKTIB-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO CC(C)(N)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000261978166 535197822 /nfs/dbraw/zinc/19/78/22/535197822.db2.gz RBMURRHPGLKTIB-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO CCOCC(C)(C)C[NH2+]C1CCNCC1 ZINC000261531739 535433137 /nfs/dbraw/zinc/43/31/37/535433137.db2.gz HSIGXOXRXAGZOT-UHFFFAOYSA-N 1 3 214.353 1.391 20 0 BDADHO CCC[C@@](C)(N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000262598926 535522122 /nfs/dbraw/zinc/52/21/22/535522122.db2.gz NLGFCEMGGAAWEY-DGCLKSJQSA-N 1 3 243.395 1.336 20 0 BDADHO CCOCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093451105 535550114 /nfs/dbraw/zinc/55/01/14/535550114.db2.gz NOPXQGZKWNOZFH-MJBXVCDLSA-N 1 3 240.391 1.923 20 0 BDADHO CCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262441382 535679795 /nfs/dbraw/zinc/67/97/95/535679795.db2.gz NHXSAEYHHMFSMJ-NWDGAFQWSA-N 1 3 241.379 1.138 20 0 BDADHO COCCCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000086495106 536591974 /nfs/dbraw/zinc/59/19/74/536591974.db2.gz PIGAQTYFOWDENW-GHMZBOCLSA-N 1 3 200.326 1.143 20 0 BDADHO COCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250443233 536590311 /nfs/dbraw/zinc/59/03/11/536590311.db2.gz BNBFGNSLVOSRKB-JHJVBQTASA-N 1 3 226.364 1.533 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C1CC1 ZINC000261967512 536647157 /nfs/dbraw/zinc/64/71/57/536647157.db2.gz BSSYFLCJQOIDJX-SDDRHHMPSA-N 1 3 212.337 1.128 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@H](C)c2c[nH]nc2C)C1 ZINC000245949248 537960743 /nfs/dbraw/zinc/96/07/43/537960743.db2.gz KWZYMDKSFGCKAN-PWSUYJOCSA-N 1 3 236.363 1.711 20 0 BDADHO CN1CC=C(C[NH2+][C@@H]2CCCOC2)CC1 ZINC000335600552 566405049 /nfs/dbraw/zinc/40/50/49/566405049.db2.gz QADNGQCGBYAZGH-GFCCVEGCSA-N 1 3 210.321 1.017 20 0 BDADHO C[C@@H](NCCCCCC[NH3+])c1nccn1C ZINC000843342037 582486453 /nfs/dbraw/zinc/48/64/53/582486453.db2.gz MZGFAEALKGVIAC-LLVKDONJSA-N 1 3 224.352 1.590 20 0 BDADHO C[C@H](CCCCO)[NH2+]CC1=CCN(C)CC1 ZINC000393737186 582921562 /nfs/dbraw/zinc/92/15/62/582921562.db2.gz AQGKRUYKHZHLNT-GFCCVEGCSA-N 1 3 226.364 1.389 20 0 BDADHO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000851985998 582990225 /nfs/dbraw/zinc/99/02/25/582990225.db2.gz YHEGXZMGQVULRG-MELADBBJSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@H](N(C)C)CC2)C1 ZINC000851985998 582990228 /nfs/dbraw/zinc/99/02/28/582990228.db2.gz YHEGXZMGQVULRG-MELADBBJSA-N 1 3 240.391 1.970 20 0 BDADHO COC1(C)CC[NH+](CC2CCN(C)CC2)CC1 ZINC000893426736 583141367 /nfs/dbraw/zinc/14/13/67/583141367.db2.gz DMDQJABGAXVPHX-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)N1CCCCC1 ZINC000222971203 583179659 /nfs/dbraw/zinc/17/96/59/583179659.db2.gz NBKANAZULQYDFC-MCIONIFRSA-N 1 3 239.407 1.720 20 0 BDADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000893888604 583243671 /nfs/dbraw/zinc/24/36/71/583243671.db2.gz KPRGVRGOJDUPGD-AGIUHOORSA-N 1 3 240.391 1.826 20 0 BDADHO Cc1cc(N)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000894427781 583457130 /nfs/dbraw/zinc/45/71/30/583457130.db2.gz MVAPEISGBRRGRJ-AOOOYVTPSA-N 1 3 235.335 1.119 20 0 BDADHO C[NH+]1CCC(CN2CC[C@@H](F)C2)CC1 ZINC000894670664 583503612 /nfs/dbraw/zinc/50/36/12/583503612.db2.gz KGCMGETXVSRFTE-LLVKDONJSA-N 1 3 200.301 1.372 20 0 BDADHO COC[C@]1(C)CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894671744 583504331 /nfs/dbraw/zinc/50/43/31/583504331.db2.gz QOOCYUYKELQHHD-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@]1(C)CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894671744 583504332 /nfs/dbraw/zinc/50/43/32/583504332.db2.gz QOOCYUYKELQHHD-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H]1CCCC[N@@H+]1CC1CCN(C)CC1 ZINC000894784826 583521588 /nfs/dbraw/zinc/52/15/88/583521588.db2.gz QOOCRTXBWCICCJ-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO COC[C@H]1CCCC[N@H+]1CC1CCN(C)CC1 ZINC000894784826 583521589 /nfs/dbraw/zinc/52/15/89/583521589.db2.gz QOOCRTXBWCICCJ-CQSZACIVSA-N 1 3 240.391 1.829 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNCc2c[nH]cn2)C1 ZINC000894986951 583565464 /nfs/dbraw/zinc/56/54/64/583565464.db2.gz WZABZUONDBLMKY-LLVKDONJSA-N 1 3 222.336 1.231 20 0 BDADHO C[N@H+]1CCC[C@H](CCNCc2c[nH]cn2)C1 ZINC000894986951 583565466 /nfs/dbraw/zinc/56/54/66/583565466.db2.gz WZABZUONDBLMKY-LLVKDONJSA-N 1 3 222.336 1.231 20 0 BDADHO CC[C@H]1CN(CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000895146278 583604471 /nfs/dbraw/zinc/60/44/71/583604471.db2.gz DQBAFBZPNCTSJE-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO C[NH+]1CCC(CN2CCN(C3CC3)CC2)CC1 ZINC000788013869 583636321 /nfs/dbraw/zinc/63/63/21/583636321.db2.gz UFXSKRWIWZJMMI-UHFFFAOYSA-N 1 3 237.391 1.108 20 0 BDADHO C[C@@H](CCn1cccn1)[NH2+]CC[C@H](C)N(C)C ZINC000895293642 583639380 /nfs/dbraw/zinc/63/93/80/583639380.db2.gz ITCVHFMCFHBTSV-STQMWFEESA-N 1 3 238.379 1.592 20 0 BDADHO CN1CCC(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000895849324 583736427 /nfs/dbraw/zinc/73/64/27/583736427.db2.gz UCOLQKDVOXEGFP-ZDUSSCGKSA-N 1 3 240.391 1.421 20 0 BDADHO CN1CCC(C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000895849324 583736428 /nfs/dbraw/zinc/73/64/28/583736428.db2.gz UCOLQKDVOXEGFP-ZDUSSCGKSA-N 1 3 240.391 1.421 20 0 BDADHO CO[C@H]1CC[C@@H](C)[N@H+](CC2CCN(C)CC2)C1 ZINC000896074701 583769041 /nfs/dbraw/zinc/76/90/41/583769041.db2.gz CNLKLSGMVFCMHX-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO CO[C@H]1CC[C@@H](C)[N@@H+](CC2CCN(C)CC2)C1 ZINC000896074701 583769042 /nfs/dbraw/zinc/76/90/42/583769042.db2.gz CNLKLSGMVFCMHX-OCCSQVGLSA-N 1 3 240.391 1.828 20 0 BDADHO CCO[C@H](CNc1cc[nH+]cc1C)CN(C)C ZINC000896113883 583771439 /nfs/dbraw/zinc/77/14/39/583771439.db2.gz UGQKYAVDYGKZCS-GFCCVEGCSA-N 1 3 237.347 1.191 20 0 BDADHO CCC[N@@H+]1CC[C@H](CNc2ccnc(CO)c2)C1 ZINC000858361119 588949003 /nfs/dbraw/zinc/94/90/03/588949003.db2.gz HTFOYYVFEHCCSI-GFCCVEGCSA-N 1 3 249.358 1.718 20 0 BDADHO CCC[N@H+]1CC[C@H](CNc2ccnc(CO)c2)C1 ZINC000858361119 588949005 /nfs/dbraw/zinc/94/90/05/588949005.db2.gz HTFOYYVFEHCCSI-GFCCVEGCSA-N 1 3 249.358 1.718 20 0 BDADHO CC[N@H+](C)C[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858430335 588953912 /nfs/dbraw/zinc/95/39/12/588953912.db2.gz UCTBLWZKKNBHQM-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO CC[N@@H+](C)C[C@H]1CCN(c2ccnc(CO)c2)C1 ZINC000858430335 588953913 /nfs/dbraw/zinc/95/39/13/588953913.db2.gz UCTBLWZKKNBHQM-GFCCVEGCSA-N 1 3 249.358 1.352 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841049837 584124777 /nfs/dbraw/zinc/12/47/77/584124777.db2.gz WSJNZBVKFIIVCR-GWOFURMSSA-N 1 3 246.445 1.550 20 0 BDADHO C[C@@H](N[C@H]1CC[C@H](C[NH3+])CC1)c1ncc[nH]1 ZINC000873238638 584128180 /nfs/dbraw/zinc/12/81/80/584128180.db2.gz DDOGPVMORZPFSJ-GMTAPVOTSA-N 1 3 222.336 1.578 20 0 BDADHO CC[C@@H](N)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899741284 584233452 /nfs/dbraw/zinc/23/34/52/584233452.db2.gz OPOSZPHTTOGMOK-GHMZBOCLSA-N 1 3 237.351 1.078 20 0 BDADHO C[C@@]1(C[NH2+][C@H]2CCNCC(C)(C)C2)CCOC1 ZINC000902321932 584551411 /nfs/dbraw/zinc/55/14/11/584551411.db2.gz ZFNYMNSDBDTNJX-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902320220 584552026 /nfs/dbraw/zinc/55/20/26/584552026.db2.gz OYVSEJJGJLLEPH-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902320220 584552027 /nfs/dbraw/zinc/55/20/27/584552027.db2.gz OYVSEJJGJLLEPH-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@H](O)CCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348404 584559013 /nfs/dbraw/zinc/55/90/13/584559013.db2.gz LMJSEHJRAKZXNR-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@H](O)CC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902348404 584559014 /nfs/dbraw/zinc/55/90/14/584559014.db2.gz LMJSEHJRAKZXNR-VXGBXAGGSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902326047 584560442 /nfs/dbraw/zinc/56/04/42/584560442.db2.gz BLIZVKMOGBNLRU-RWMBFGLXSA-N 1 3 242.407 1.761 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902376322 584568235 /nfs/dbraw/zinc/56/82/35/584568235.db2.gz JGZWSFGMNLBASF-SDDRHHMPSA-N 1 3 240.391 1.514 20 0 BDADHO CC[C@](C)(O)C[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902359227 584570556 /nfs/dbraw/zinc/57/05/56/584570556.db2.gz GNTNGQNDZUPLAR-YPMHNXCESA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@](C)(O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902359227 584570558 /nfs/dbraw/zinc/57/05/58/584570558.db2.gz GNTNGQNDZUPLAR-YPMHNXCESA-N 1 3 228.380 1.515 20 0 BDADHO COc1ccc(C[C@@H](C)NCC2([NH3+])CC2)cn1 ZINC000902407781 584574848 /nfs/dbraw/zinc/57/48/48/584574848.db2.gz UKDNTJIELQPVET-SNVBAGLBSA-N 1 3 235.331 1.102 20 0 BDADHO CC1(C)CNCC[C@@H]([NH2+]CCCCCO)C1 ZINC000902381100 584576945 /nfs/dbraw/zinc/57/69/45/584576945.db2.gz CWSAVOCFYLXVJQ-GFCCVEGCSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@H](O)CCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902385347 584578272 /nfs/dbraw/zinc/57/82/72/584578272.db2.gz ZUYNUWWMYKIEPH-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@H](O)CCCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902385347 584578273 /nfs/dbraw/zinc/57/82/73/584578273.db2.gz ZUYNUWWMYKIEPH-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@H]([NH2+][C@@H]1CCNCC(C)(C)C1)[C@H](C)O ZINC000902389168 584580664 /nfs/dbraw/zinc/58/06/64/584580664.db2.gz VOFBRGPQNLNTDZ-TUAOUCFPSA-N 1 3 228.380 1.514 20 0 BDADHO CC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](C)O ZINC000902389168 584580665 /nfs/dbraw/zinc/58/06/65/584580665.db2.gz VOFBRGPQNLNTDZ-TUAOUCFPSA-N 1 3 228.380 1.514 20 0 BDADHO CC[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902400986 584587740 /nfs/dbraw/zinc/58/77/40/584587740.db2.gz ZBRMZTCHANSTIV-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO CC[C@@H](O)C[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902400986 584587741 /nfs/dbraw/zinc/58/77/41/584587741.db2.gz ZBRMZTCHANSTIV-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCC[C@@H]2O)C1 ZINC000902428336 584594825 /nfs/dbraw/zinc/59/48/25/584594825.db2.gz CEXPHKXXUFQPGP-CRWXNKLISA-N 1 3 240.391 1.787 20 0 BDADHO C[C@H]([NH2+]CC[C@@H]1CCC(C)(C)CO1)C1CNC1 ZINC000902432803 584595671 /nfs/dbraw/zinc/59/56/71/584595671.db2.gz YDTLYOOYVVKDHF-AAEUAGOBSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H](NCC[C@@H]1CCC(C)(C)CO1)C1C[NH2+]C1 ZINC000902432803 584595672 /nfs/dbraw/zinc/59/56/72/584595672.db2.gz YDTLYOOYVVKDHF-AAEUAGOBSA-N 1 3 240.391 1.779 20 0 BDADHO CC1(C)[NH2+]CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902433313 584595990 /nfs/dbraw/zinc/59/59/90/584595990.db2.gz JGIWBTLVBDWVPS-MGPQQGTHSA-N 1 3 245.370 1.341 20 0 BDADHO CC1(C)[NH2+]CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902433310 584596158 /nfs/dbraw/zinc/59/61/58/584596158.db2.gz JGIWBTLVBDWVPS-HZSPNIEDSA-N 1 3 245.370 1.341 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436571 584596388 /nfs/dbraw/zinc/59/63/88/584596388.db2.gz ZWDQIYDJYCQVQF-OADPDTJPSA-N 1 3 245.370 1.199 20 0 BDADHO C[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)[C@@H]1CCC[NH2+]1 ZINC000902435824 584596420 /nfs/dbraw/zinc/59/64/20/584596420.db2.gz VMBMRMRTWHLNKS-BSLXNSKLSA-N 1 3 245.370 1.341 20 0 BDADHO CCO[C@H]1C[C@H](NCC2([NH3+])CC2)C12CCC2 ZINC000902413576 584599734 /nfs/dbraw/zinc/59/97/34/584599734.db2.gz OBORVLIJJYISAK-QWRGUYRKSA-N 1 3 224.348 1.415 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452865 584607944 /nfs/dbraw/zinc/60/79/44/584607944.db2.gz MTGRGFATDMFNEI-GYFJUXSHSA-N 1 3 234.343 1.022 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C12CCC2 ZINC000902452865 584607945 /nfs/dbraw/zinc/60/79/45/584607945.db2.gz MTGRGFATDMFNEI-GYFJUXSHSA-N 1 3 234.343 1.022 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902454786 584609623 /nfs/dbraw/zinc/60/96/23/584609623.db2.gz VQMFLDLOOAPDJK-NKBRPRPESA-N 1 3 236.359 1.412 20 0 BDADHO C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)C1CNC1 ZINC000902455850 584609848 /nfs/dbraw/zinc/60/98/48/584609848.db2.gz ZLPZRLIIEGCDER-ONGXEEELSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc2nonc2c1 ZINC000902456500 584610285 /nfs/dbraw/zinc/61/02/85/584610285.db2.gz PJZXFSUJIJBNJT-DTWKUNHWSA-N 1 3 234.303 1.438 20 0 BDADHO CC1(C)CCN(CCN[C@H]2CC[NH2+]C2(C)C)C1 ZINC000902458470 584610908 /nfs/dbraw/zinc/61/09/08/584610908.db2.gz XZWKVUXLJFABJL-LBPRGKRZSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H](NC[C@H]1CCCC(C)(C)O1)C1C[NH2+]C1 ZINC000902461540 584611811 /nfs/dbraw/zinc/61/18/11/584611811.db2.gz ONERMZIBKQHWCE-CMPLNLGQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCC(C)(C)O1)C1CNC1 ZINC000902461540 584611814 /nfs/dbraw/zinc/61/18/14/584611814.db2.gz ONERMZIBKQHWCE-CMPLNLGQSA-N 1 3 226.364 1.532 20 0 BDADHO CC(C)C1CC([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)C1 ZINC000902469485 584615417 /nfs/dbraw/zinc/61/54/17/584615417.db2.gz RJJNCUVHTLQVRW-BEZKJRAVSA-N 1 3 208.349 1.904 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CCO1 ZINC000902471229 584616767 /nfs/dbraw/zinc/61/67/67/584616767.db2.gz KQBDHXUECULBAZ-IYKVGLELSA-N 1 3 210.321 1.036 20 0 BDADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cncs1 ZINC000902491385 584617882 /nfs/dbraw/zinc/61/78/82/584617882.db2.gz WSBAXIVHTYLLOX-IWSPIJDZSA-N 1 3 211.334 1.531 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cncs1 ZINC000902491384 584617982 /nfs/dbraw/zinc/61/79/82/584617982.db2.gz WSBAXIVHTYLLOX-CIUDSAMLSA-N 1 3 211.334 1.531 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCCN1)[C@@H]1CCCO1 ZINC000902482468 584623750 /nfs/dbraw/zinc/62/37/50/584623750.db2.gz LPHAMVIOGVLLRU-XQQFMLRXSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1COC[C@H]1C1CC1 ZINC000902517535 584630204 /nfs/dbraw/zinc/63/02/04/584630204.db2.gz JBVCWMMCCFPNHV-VZZFWQQMSA-N 1 3 238.375 1.389 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902517535 584630205 /nfs/dbraw/zinc/63/02/05/584630205.db2.gz JBVCWMMCCFPNHV-VZZFWQQMSA-N 1 3 238.375 1.389 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902518154 584631020 /nfs/dbraw/zinc/63/10/20/584631020.db2.gz LCOZYAZPXHWGBE-CRWXNKLISA-N 1 3 238.375 1.519 20 0 BDADHO N[C@@H]1C[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)C12CCC2 ZINC000902521704 584631517 /nfs/dbraw/zinc/63/15/17/584631517.db2.gz STHMBWDUTQXJEC-RVMXOQNASA-N 1 3 236.359 1.271 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2COC[C@H]2C2CC2)C12CCC2 ZINC000902521704 584631518 /nfs/dbraw/zinc/63/15/18/584631518.db2.gz STHMBWDUTQXJEC-RVMXOQNASA-N 1 3 236.359 1.271 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1COC[C@H]1C1CC1 ZINC000902522110 584631869 /nfs/dbraw/zinc/63/18/69/584631869.db2.gz WKDCMRFKUZVPPI-RFQIPJPRSA-N 1 3 238.375 1.661 20 0 BDADHO CN(C)CCOCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902971182 584712542 /nfs/dbraw/zinc/71/25/42/584712542.db2.gz UICWWXSIFKDVAR-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO CC(C)CO[C@@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903441489 584763742 /nfs/dbraw/zinc/76/37/42/584763742.db2.gz USVTZVYEAUNTRU-HZSPNIEDSA-N 1 3 240.391 1.589 20 0 BDADHO COCCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000903469957 584774519 /nfs/dbraw/zinc/77/45/19/584774519.db2.gz DPWXGJMTZDAEKS-LBPRGKRZSA-N 1 3 226.364 1.677 20 0 BDADHO c1ccc([C@]23C[C@H]2CN(C[C@H]2CC[NH2+]C2)C3)cc1 ZINC000903491217 584780899 /nfs/dbraw/zinc/78/08/99/584780899.db2.gz ZNSVZSAMKHZJDM-CWRNSKLLSA-N 1 3 242.366 1.869 20 0 BDADHO CCOC(=O)[C@@H]1C[C@H]1CN[C@H](C[NH3+])C(C)(C)C ZINC000903752658 584795299 /nfs/dbraw/zinc/79/52/99/584795299.db2.gz PBPOCWBXQHLGOB-HBNTYKKESA-N 1 3 242.363 1.149 20 0 BDADHO C[C@]12COC[C@@H]1CN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903767423 584797735 /nfs/dbraw/zinc/79/77/35/584797735.db2.gz XIQVRSRCDKXPQQ-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@@H]1C[N@H+](C[C@H]1CCCCNC1)C2 ZINC000903767423 584797737 /nfs/dbraw/zinc/79/77/37/584797737.db2.gz XIQVRSRCDKXPQQ-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1CCCCNC1)C2 ZINC000903767423 584797738 /nfs/dbraw/zinc/79/77/38/584797738.db2.gz XIQVRSRCDKXPQQ-IHRRRGAJSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCCCNC1)[C@@H]1CCCOC1 ZINC000903758516 584798832 /nfs/dbraw/zinc/79/88/32/584798832.db2.gz LQRIMCNUZKDSER-MELADBBJSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@]12C[N@H+](CCCN)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825684 584804542 /nfs/dbraw/zinc/80/45/42/584804542.db2.gz CLSJGBCBUKVDGP-QNWHQSFQSA-N 1 3 208.349 1.703 20 0 BDADHO C[C@]12C[N@@H+](CCCN)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000903825684 584804544 /nfs/dbraw/zinc/80/45/44/584804544.db2.gz CLSJGBCBUKVDGP-QNWHQSFQSA-N 1 3 208.349 1.703 20 0 BDADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCc1ccns1)C2 ZINC000903840722 584807323 /nfs/dbraw/zinc/80/73/23/584807323.db2.gz TZPKJIDEQPYVJP-AXFHLTTASA-N 1 3 237.372 1.497 20 0 BDADHO [NH3+]C[C@]12CC[C@H]1CCN2CCCCCF ZINC000903859000 584810614 /nfs/dbraw/zinc/81/06/14/584810614.db2.gz KTUKCXXGSAPRFK-NWDGAFQWSA-N 1 3 214.328 1.939 20 0 BDADHO CO[C@H](CN1CC[C@@H]2CC[C@]21C[NH3+])C1CCC1 ZINC000903859850 584810924 /nfs/dbraw/zinc/81/09/24/584810924.db2.gz OZQYDALPEKYYTA-MJBXVCDLSA-N 1 3 238.375 1.615 20 0 BDADHO CCCC[C@@H](COC)NCCC(C)(C)[NH3+] ZINC000903939518 584822266 /nfs/dbraw/zinc/82/22/66/584822266.db2.gz IDLVOLFIROQNSQ-NSHDSACASA-N 1 3 216.369 1.909 20 0 BDADHO CC[C@H](C)[NH2+]C[C@H](CN)Cc1cnn(C)c1C ZINC000903925892 584823578 /nfs/dbraw/zinc/82/35/78/584823578.db2.gz ISYADHQOKFTSGL-JQWIXIFHSA-N 1 3 238.379 1.234 20 0 BDADHO Cc1c(C[C@H](CN)C[NH2+]CC(C)C)cnn1C ZINC000903924286 584823670 /nfs/dbraw/zinc/82/36/70/584823670.db2.gz BJSNCDZXSKKNQG-GFCCVEGCSA-N 1 3 238.379 1.092 20 0 BDADHO C[C@H](CNC[C@H]([NH3+])CC(F)F)c1ccncc1 ZINC000903935511 584825925 /nfs/dbraw/zinc/82/59/25/584825925.db2.gz QVOZZYQXCNBYAX-MWLCHTKSSA-N 1 3 243.301 1.757 20 0 BDADHO C[C@H]1CN(CC(C)(C)[NH3+])CCN1c1ccncc1 ZINC000903937433 584826176 /nfs/dbraw/zinc/82/61/76/584826176.db2.gz KSGKTFHOMZNXHR-LBPRGKRZSA-N 1 3 248.374 1.329 20 0 BDADHO N[C@H](CNC[C@H]([NH3+])CC(F)F)c1ccccc1 ZINC000903918044 584827082 /nfs/dbraw/zinc/82/70/82/584827082.db2.gz QYPUHQUBVTYHMG-GHMZBOCLSA-N 1 3 243.301 1.259 20 0 BDADHO CC1(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903974682 584832476 /nfs/dbraw/zinc/83/24/76/584832476.db2.gz WBXBLZSLXNBJAN-GFCCVEGCSA-N 1 3 238.375 1.535 20 0 BDADHO CC1(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC000903974683 584832764 /nfs/dbraw/zinc/83/27/64/584832764.db2.gz WBXBLZSLXNBJAN-LBPRGKRZSA-N 1 3 238.375 1.535 20 0 BDADHO CCCCN(CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904302242 584861938 /nfs/dbraw/zinc/86/19/38/584861938.db2.gz UDANZNDWIJEPKR-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CCCC[N@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904302242 584861940 /nfs/dbraw/zinc/86/19/40/584861940.db2.gz UDANZNDWIJEPKR-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CCCC[N@@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904302242 584861942 /nfs/dbraw/zinc/86/19/42/584861942.db2.gz UDANZNDWIJEPKR-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CCCCCN(CCO)C[C@@]1(C)CCC[NH2+]C1 ZINC000904307076 584862355 /nfs/dbraw/zinc/86/23/55/584862355.db2.gz KCHZTUKAJROQFC-AWEZNQCLSA-N 1 3 242.407 1.861 20 0 BDADHO CCCCC[N@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904307076 584862356 /nfs/dbraw/zinc/86/23/56/584862356.db2.gz KCHZTUKAJROQFC-AWEZNQCLSA-N 1 3 242.407 1.861 20 0 BDADHO CCCCC[N@@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904307076 584862357 /nfs/dbraw/zinc/86/23/57/584862357.db2.gz KCHZTUKAJROQFC-AWEZNQCLSA-N 1 3 242.407 1.861 20 0 BDADHO Cc1cc([C@H]2CCCN2C[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000904309237 584862511 /nfs/dbraw/zinc/86/25/11/584862511.db2.gz DYUZFCCHSJTAOU-NTZNESFSSA-N 1 3 235.331 1.857 20 0 BDADHO COc1ccc(CN(C)C[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000904332164 584866115 /nfs/dbraw/zinc/86/61/15/584866115.db2.gz NTVSQCNRZJSMNZ-TXEJJXNPSA-N 1 3 235.331 1.259 20 0 BDADHO C[C@@H]1CN(C[C@]2(C)CCC[NH2+]C2)CC[C@@H]1O ZINC000904341480 584867073 /nfs/dbraw/zinc/86/70/73/584867073.db2.gz RWKLUHKDQLUERY-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)CC[C@@H]1O ZINC000904341480 584867074 /nfs/dbraw/zinc/86/70/74/584867074.db2.gz RWKLUHKDQLUERY-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)CC[C@@H]1O ZINC000904341480 584867076 /nfs/dbraw/zinc/86/70/76/584867076.db2.gz RWKLUHKDQLUERY-FRRDWIJNSA-N 1 3 226.364 1.079 20 0 BDADHO [NH3+]CC1CC(Nc2ccc3c(c2)CNCCO3)C1 ZINC000904354661 584870904 /nfs/dbraw/zinc/87/09/04/584870904.db2.gz IPJSJLRBGZMMJW-UHFFFAOYSA-N 1 3 247.342 1.318 20 0 BDADHO C[C@@H](CN1CCNCC[NH2+]CC1)c1ccccc1 ZINC000904397062 584875436 /nfs/dbraw/zinc/87/54/36/584875436.db2.gz XQRKOUMWIPUWJH-AWEZNQCLSA-N 1 3 247.386 1.285 20 0 BDADHO C[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C2(CCC2)CO1 ZINC000904375679 584875549 /nfs/dbraw/zinc/87/55/49/584875549.db2.gz FENNSHORGMWHIL-UTUOFQBUSA-N 1 3 224.348 1.367 20 0 BDADHO [NH3+]CC1(CCNCc2nccn2C2CC2)CC1 ZINC000904376234 584876030 /nfs/dbraw/zinc/87/60/30/584876030.db2.gz NCBXAECVKJGLBN-UHFFFAOYSA-N 1 3 234.347 1.437 20 0 BDADHO C[C@H]1CN(CC2(F)CC2)CC[C@@H]1C[NH3+] ZINC000904409745 584878976 /nfs/dbraw/zinc/87/89/76/584878976.db2.gz HMDWKTTZKSMIMH-VHSXEESVSA-N 1 3 200.301 1.405 20 0 BDADHO Cc1n[nH]cc1CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000904412326 584879734 /nfs/dbraw/zinc/87/97/34/584879734.db2.gz SCVUIHPXPRRHSU-MWLCHTKSSA-N 1 3 222.336 1.135 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H](O)C2CC2)C1 ZINC000838859181 585075766 /nfs/dbraw/zinc/07/57/66/585075766.db2.gz DGCOSJJRXHWWJZ-JSGCOSHPSA-N 1 3 240.391 1.421 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000838859181 585075767 /nfs/dbraw/zinc/07/57/67/585075767.db2.gz DGCOSJJRXHWWJZ-JSGCOSHPSA-N 1 3 240.391 1.421 20 0 BDADHO C[C@H]1CN(CC[NH+]2CCCC2)[C@@H](C)CN1C ZINC000768770515 585543369 /nfs/dbraw/zinc/54/33/69/585543369.db2.gz HNIMBBVEVZZZMV-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO COC[C@@H]1CCC[N@H+](CC2CCN(C)CC2)C1 ZINC000788484020 585925140 /nfs/dbraw/zinc/92/51/40/585925140.db2.gz UQOJIVGLJMXITK-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@@H]1CCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000788484020 585925141 /nfs/dbraw/zinc/92/51/41/585925141.db2.gz UQOJIVGLJMXITK-CQSZACIVSA-N 1 3 240.391 1.687 20 0 BDADHO CC[C@H]1CN(CC2CC[NH+](C)CC2)CCO1 ZINC000788474877 585925391 /nfs/dbraw/zinc/92/53/91/585925391.db2.gz LCCLGPHFQYEJQX-ZDUSSCGKSA-N 1 3 226.364 1.439 20 0 BDADHO CN1CCC(C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000788489127 585925586 /nfs/dbraw/zinc/92/55/86/585925586.db2.gz VOHDITQIOJLIKC-CQSZACIVSA-N 1 3 238.375 1.441 20 0 BDADHO CN1CCC(C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000788489127 585925587 /nfs/dbraw/zinc/92/55/87/585925587.db2.gz VOHDITQIOJLIKC-CQSZACIVSA-N 1 3 238.375 1.441 20 0 BDADHO CC[NH+](CC)[C@H](C)CNc1cc(C)nc(N)n1 ZINC000795208394 586072145 /nfs/dbraw/zinc/07/21/45/586072145.db2.gz PUQZTGUUPSLZKC-SNVBAGLBSA-N 1 3 237.351 1.509 20 0 BDADHO C[C@@H]1CN(CC[NH+]2CCCC2)C[C@H](C)N1C ZINC000815180898 586672797 /nfs/dbraw/zinc/67/27/97/586672797.db2.gz YXMLLFKSKFCUPR-BETUJISGSA-N 1 3 225.380 1.107 20 0 BDADHO CCc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])n[nH]1 ZINC000817891564 586833393 /nfs/dbraw/zinc/83/33/93/586833393.db2.gz DFEWCEVRJBJPSO-BXKDBHETSA-N 1 3 222.336 1.189 20 0 BDADHO CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000817893236 586833941 /nfs/dbraw/zinc/83/39/41/586833941.db2.gz CZJQTYLBJVVSLX-YNEHKIRRSA-N 1 3 228.380 1.909 20 0 BDADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1cccnc1 ZINC000817894431 586834005 /nfs/dbraw/zinc/83/40/05/586834005.db2.gz YTEMFCZULAGTOQ-TZMCWYRMSA-N 1 3 249.358 1.568 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000817898636 586834780 /nfs/dbraw/zinc/83/47/80/586834780.db2.gz IKTDKELPHVPBRW-IUCAKERBSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H](O)c1ccc(F)cc1 ZINC000817901546 586835710 /nfs/dbraw/zinc/83/57/10/586835710.db2.gz WTZQFJKOPBZGBH-OUJBWJOFSA-N 1 3 240.322 1.575 20 0 BDADHO C[C@H](C[C@H](O)c1ccccc1)N[C@@H](C)C1C[NH2+]C1 ZINC000817905245 586837394 /nfs/dbraw/zinc/83/73/94/586837394.db2.gz KYVZDLJUIMBASC-XUJVJEKNSA-N 1 3 248.370 1.696 20 0 BDADHO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)C1CNC1 ZINC000817905245 586837396 /nfs/dbraw/zinc/83/73/96/586837396.db2.gz KYVZDLJUIMBASC-XUJVJEKNSA-N 1 3 248.370 1.696 20 0 BDADHO Cc1cccc([C@H](O)CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000817910549 586838286 /nfs/dbraw/zinc/83/82/86/586838286.db2.gz VUMBNBXUZAIFJW-RRFJBIMHSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1N)c1cccs1 ZINC000817913293 586839164 /nfs/dbraw/zinc/83/91/64/586839164.db2.gz NHBALKMMAQCTAH-SCVCMEIPSA-N 1 3 240.372 1.425 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@]1(O)CCc2ccccc21 ZINC000817916168 586839275 /nfs/dbraw/zinc/83/92/75/586839275.db2.gz AOHBZBWOKUJDIZ-ZOWXZIJZSA-N 1 3 248.370 1.536 20 0 BDADHO C[C@H]1CCCN1CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000817913651 586839559 /nfs/dbraw/zinc/83/95/59/586839559.db2.gz PNMXYOWBRRLMLB-HZSPNIEDSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000817913806 586839702 /nfs/dbraw/zinc/83/97/02/586839702.db2.gz SWADAPKEYKFGFC-NELGMTEASA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1COC2(CCCC2)O1 ZINC000817917286 586840107 /nfs/dbraw/zinc/84/01/07/586840107.db2.gz ANANEGMRBBFHEV-TUAOUCFPSA-N 1 3 242.363 1.388 20 0 BDADHO C[C@@H](NCC[C@@](C)(O)c1ccccc1)C1C[NH2+]C1 ZINC000817923944 586841457 /nfs/dbraw/zinc/84/14/57/586841457.db2.gz ITLMSBPKNRVUKD-IUODEOHRSA-N 1 3 248.370 1.482 20 0 BDADHO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)C1CNC1 ZINC000817923944 586841459 /nfs/dbraw/zinc/84/14/59/586841459.db2.gz ITLMSBPKNRVUKD-IUODEOHRSA-N 1 3 248.370 1.482 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC=CO1 ZINC000817924719 586841717 /nfs/dbraw/zinc/84/17/17/586841717.db2.gz VGVGKNHYVAFIOT-YNEHKIRRSA-N 1 3 224.348 1.929 20 0 BDADHO C(N[C@H]1CCC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000817950819 586847134 /nfs/dbraw/zinc/84/71/34/586847134.db2.gz ZTWYFWOFPITHAW-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO C[NH+](C)CCCCNCc1cc(F)ncc1F ZINC000823736413 587238555 /nfs/dbraw/zinc/23/85/55/587238555.db2.gz ARJGVUXRBWTTIR-UHFFFAOYSA-N 1 3 243.301 1.791 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000841031523 587936257 /nfs/dbraw/zinc/93/62/57/587936257.db2.gz UTURVNBXKVFALF-OPRDCNLKSA-N 1 3 246.445 1.693 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCC1CCOCC1 ZINC000841064239 587941263 /nfs/dbraw/zinc/94/12/63/587941263.db2.gz WMOUCGVDLBJMAI-GXTWGEPZSA-N 1 3 240.391 1.923 20 0 BDADHO COCCC1(CN[C@@H]2CCC[NH2+][C@@H]2C)CCC1 ZINC000841064212 587941430 /nfs/dbraw/zinc/94/14/30/587941430.db2.gz VSXPVSBJFWLATM-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+]CC1(CNc2ccc3c(c2)CNCCO3)CC1 ZINC000841081861 587944865 /nfs/dbraw/zinc/94/48/65/587944865.db2.gz HEFLGQOTRZOGHA-UHFFFAOYSA-N 1 3 247.342 1.319 20 0 BDADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cccnc2Cl)C1 ZINC000841084439 587945568 /nfs/dbraw/zinc/94/55/68/587945568.db2.gz JKMHMTKHZBBIIL-MWLCHTKSSA-N 1 3 239.750 1.952 20 0 BDADHO CCCC[C@@H](C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000841848426 587977121 /nfs/dbraw/zinc/97/71/21/587977121.db2.gz KVOWYQQPLFPFKQ-ZDUSSCGKSA-N 1 3 249.358 1.393 20 0 BDADHO c1cn2c(n1)[C@H](N[C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000843341091 588100927 /nfs/dbraw/zinc/10/09/27/588100927.db2.gz ZEIZKACYKIUGIK-YVECIDJPSA-N 1 3 246.358 1.306 20 0 BDADHO C[C@H](NCCCCCC[NH3+])c1ncc[nH]1 ZINC000843340835 588101105 /nfs/dbraw/zinc/10/11/05/588101105.db2.gz FSFKVSYXDIXMHS-JTQLQIEISA-N 1 3 210.325 1.579 20 0 BDADHO CCCCOC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362616 588104290 /nfs/dbraw/zinc/10/42/90/588104290.db2.gz LENQZZPCENNHAH-NWDGAFQWSA-N 1 3 242.363 1.389 20 0 BDADHO FCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843386058 588105845 /nfs/dbraw/zinc/10/58/45/588105845.db2.gz BISCPNFQVISLMP-VXGBXAGGSA-N 1 3 214.328 1.668 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848717266 588407820 /nfs/dbraw/zinc/40/78/20/588407820.db2.gz PUTRIVXEOOFGNB-QLFBSQMISA-N 1 3 248.370 1.888 20 0 BDADHO CCNC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000848987175 588426148 /nfs/dbraw/zinc/42/61/48/588426148.db2.gz LIVFUOJJZPJNQD-MNOVXSKESA-N 1 3 226.368 1.241 20 0 BDADHO C[C@H]1CCN(CCNC(=[NH2+])NCC2CCC2)C1 ZINC000849004216 588431766 /nfs/dbraw/zinc/43/17/66/588431766.db2.gz HXQSAAFKEMYFFB-NSHDSACASA-N 1 3 238.379 1.242 20 0 BDADHO CCCCN(C)CCNC(=[NH2+])Nc1ccccn1 ZINC000849005868 588432425 /nfs/dbraw/zinc/43/24/25/588432425.db2.gz YWNXTZDTEZJWFX-UHFFFAOYSA-N 1 3 249.362 1.750 20 0 BDADHO CCCCCCNC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030362 588442172 /nfs/dbraw/zinc/44/21/72/588442172.db2.gz LNYYPOMIAAOUMI-LBPRGKRZSA-N 1 3 242.411 1.878 20 0 BDADHO CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030005 588442289 /nfs/dbraw/zinc/44/22/89/588442289.db2.gz CLJOYGKJFYJLMF-NXEZZACHSA-N 1 3 214.357 1.097 20 0 BDADHO CCCCNC(=[NH2+])NCCN1CCCC1(C)C ZINC000849039038 588446885 /nfs/dbraw/zinc/44/68/85/588446885.db2.gz FABGPJUFEWACJR-UHFFFAOYSA-N 1 3 240.395 1.775 20 0 BDADHO CO[C@H](CN1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000852743874 588697841 /nfs/dbraw/zinc/69/78/41/588697841.db2.gz MRJRCHCWRVDIOA-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@H](CN)C1)C1CCC1 ZINC000852743874 588697842 /nfs/dbraw/zinc/69/78/42/588697842.db2.gz MRJRCHCWRVDIOA-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@H](CN)C1)C1CCC1 ZINC000852743874 588697843 /nfs/dbraw/zinc/69/78/43/588697843.db2.gz MRJRCHCWRVDIOA-DGCLKSJQSA-N 1 3 226.364 1.472 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOC(F)F)C[C@@H]21 ZINC000852746630 588698973 /nfs/dbraw/zinc/69/89/73/588698973.db2.gz MUWRXALALMMDTH-KXUCPTDWSA-N 1 3 234.290 1.285 20 0 BDADHO NCc1cccc(C(=O)NCC2([NH3+])CCCC2)c1 ZINC000852852037 588708412 /nfs/dbraw/zinc/70/84/12/588708412.db2.gz MSHFFPLHENFOOP-UHFFFAOYSA-N 1 3 247.342 1.147 20 0 BDADHO CC1(C[NH2+][C@H]2CCNC23CCC3)CCOCC1 ZINC000863483266 589293439 /nfs/dbraw/zinc/29/34/39/589293439.db2.gz TYSZXLHFOQIRCJ-LBPRGKRZSA-N 1 3 238.375 1.677 20 0 BDADHO COC[C@@]1(C)CN(CCCCCC[NH3+])CCO1 ZINC000863575143 589301430 /nfs/dbraw/zinc/30/14/30/589301430.db2.gz FEPJUQUYXUSIQN-CYBMUJFWSA-N 1 3 244.379 1.243 20 0 BDADHO [NH3+]C[C@@H]1CCCN(CC2=CCCOC2)C1 ZINC000863642094 589305983 /nfs/dbraw/zinc/30/59/83/589305983.db2.gz PYPKAKDXAYDHAP-NSHDSACASA-N 1 3 210.321 1.004 20 0 BDADHO CC(C)N(CCNC(=[NH2+])N[C@H]1C[C@@H]1C)C(C)C ZINC000864453096 589365783 /nfs/dbraw/zinc/36/57/83/589365783.db2.gz XBVLJCKPXHBTPB-RYUDHWBXSA-N 1 3 240.395 1.628 20 0 BDADHO C[N@@H+]1CC[C@H]2CN(c3ccnc(CO)c3)CC[C@@H]21 ZINC000866208965 589480599 /nfs/dbraw/zinc/48/05/99/589480599.db2.gz MCFQAXQLYLPDSV-FZMZJTMJSA-N 1 3 247.342 1.104 20 0 BDADHO C[N@H+]1CC[C@H]2CN(c3ccnc(CO)c3)CC[C@@H]21 ZINC000866208965 589480600 /nfs/dbraw/zinc/48/06/00/589480600.db2.gz MCFQAXQLYLPDSV-FZMZJTMJSA-N 1 3 247.342 1.104 20 0 BDADHO C[C@](C[NH3+])(NC[C@H]1CCC(C)(C)CO1)C1CC1 ZINC000866661397 589508955 /nfs/dbraw/zinc/50/89/55/589508955.db2.gz OPOFHXXTVJGYDS-TZMCWYRMSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000866665091 589509770 /nfs/dbraw/zinc/50/97/70/589509770.db2.gz SPAMCXRPFUWDTO-MELADBBJSA-N 1 3 238.375 1.487 20 0 BDADHO C[C@@H]1OCC[C@H]1C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000866665091 589509772 /nfs/dbraw/zinc/50/97/72/589509772.db2.gz SPAMCXRPFUWDTO-MELADBBJSA-N 1 3 238.375 1.487 20 0 BDADHO [NH3+]CCCN1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704202 589513484 /nfs/dbraw/zinc/51/34/84/589513484.db2.gz RJSDDRIZNCHHFZ-ZJUUUORDSA-N 1 3 200.351 1.020 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CC2(CCC2)CO1 ZINC000872141815 589882218 /nfs/dbraw/zinc/88/22/18/589882218.db2.gz URENPENCVXGHOE-STQMWFEESA-N 1 3 240.391 1.909 20 0 BDADHO [NH3+]C[C@@H]1CCN(C[C@H]2CC3(CCC3)CO2)C1 ZINC000872141798 589882541 /nfs/dbraw/zinc/88/25/41/589882541.db2.gz TYXHQJXPBWBLBX-NWDGAFQWSA-N 1 3 224.348 1.226 20 0 BDADHO COCC1(N(C)C[C@@H]2CC[NH2+]C2)CCC1 ZINC000872157656 589885724 /nfs/dbraw/zinc/88/57/24/589885724.db2.gz PNONJEXPZWMGDG-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO CCC1(C[NH2+][C@@H]2CCNCC(C)(C)C2)COC1 ZINC000872251560 589900410 /nfs/dbraw/zinc/90/04/10/589900410.db2.gz MFOGWJUTJLKVQT-GFCCVEGCSA-N 1 3 240.391 1.781 20 0 BDADHO CN(C)CCNc1cc[nH+]cc1C1CC1 ZINC000872386773 589930011 /nfs/dbraw/zinc/93/00/11/589930011.db2.gz BIHMWKDDWDZUOP-UHFFFAOYSA-N 1 3 205.305 1.354 20 0 BDADHO CCN(CC[NH3+])Cc1cc2c(s1)CCNC2 ZINC000873212834 589997556 /nfs/dbraw/zinc/99/75/56/589997556.db2.gz UIBITKMNAZXOMD-UHFFFAOYSA-N 1 3 239.388 1.174 20 0 BDADHO CC(C)(C)NCC[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873215922 589997993 /nfs/dbraw/zinc/99/79/93/589997993.db2.gz HKTYCPCLDSBLJP-JZRPKSSGSA-N 1 3 238.375 1.388 20 0 BDADHO COCCC1([NH2+]C[C@@H]2C[C@H]2C)CCNCC1 ZINC000873224472 590001145 /nfs/dbraw/zinc/00/11/45/590001145.db2.gz CMABJLYWNGBFHI-NEPJUHHUSA-N 1 3 226.364 1.391 20 0 BDADHO Cn1ccnc1[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000873249494 590007354 /nfs/dbraw/zinc/00/73/54/590007354.db2.gz ANMXXKVQPQVOJU-WCQGTBRESA-N 1 3 234.347 1.198 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@H]2C[C@H]([NH3+])C2)c2nccn21 ZINC000873255896 590010689 /nfs/dbraw/zinc/01/06/89/590010689.db2.gz KDZFXTJOGXDJIV-GWOFURMSSA-N 1 3 220.320 1.216 20 0 BDADHO Cc1cc([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)nn1C ZINC000873255505 590010964 /nfs/dbraw/zinc/01/09/64/590010964.db2.gz GOXRVEAKIPZJNC-GMTAPVOTSA-N 1 3 222.336 1.116 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000873282260 590018746 /nfs/dbraw/zinc/01/87/46/590018746.db2.gz GPRYQPFWHLBSIS-SRVKXCTJSA-N 1 3 240.347 1.047 20 0 BDADHO COCC(C)(C)CC[NH2+][C@@H](C)C[C@H](C)N ZINC000873281289 590018848 /nfs/dbraw/zinc/01/88/48/590018848.db2.gz HLCHYKHPSGHEMJ-QWRGUYRKSA-N 1 3 216.369 1.765 20 0 BDADHO Nc1cc(F)cc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000873288913 590022123 /nfs/dbraw/zinc/02/21/23/590022123.db2.gz CGGPXGNYYOJYLR-ZWNOBZJWSA-N 1 3 237.322 1.625 20 0 BDADHO Nc1cc(F)cc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000873288911 590022218 /nfs/dbraw/zinc/02/22/18/590022218.db2.gz CGGPXGNYYOJYLR-GXFFZTMASA-N 1 3 237.322 1.625 20 0 BDADHO CC(C)C[C@H](C[NH2+]C1CCN(C)CC1)N(C)C ZINC000020201146 590085190 /nfs/dbraw/zinc/08/51/90/590085190.db2.gz CUGNDAUCDFOLOQ-CQSZACIVSA-N 1 3 241.423 1.647 20 0 BDADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000877103534 590284322 /nfs/dbraw/zinc/28/43/22/590284322.db2.gz WYBSHRHMRBYFFH-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CN(CCCCCC[NH3+])C(=O)[C@@H](N)C(C)(C)C ZINC000877444158 590328863 /nfs/dbraw/zinc/32/88/63/590328863.db2.gz JSSPBZCBPHHFBR-LLVKDONJSA-N 1 3 243.395 1.337 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877740196 590407623 /nfs/dbraw/zinc/40/76/23/590407623.db2.gz IZNRYHIWUBCHTL-OLZOCXBDSA-N 1 3 240.391 1.685 20 0 BDADHO COCC(C)(C)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877740196 590407625 /nfs/dbraw/zinc/40/76/25/590407625.db2.gz IZNRYHIWUBCHTL-OLZOCXBDSA-N 1 3 240.391 1.685 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000877743781 590411284 /nfs/dbraw/zinc/41/12/84/590411284.db2.gz YGSSTQGRIFIXCK-RDBSUJKOSA-N 1 3 236.359 1.705 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@@H]3CCC=CO3)CC[C@@H]21 ZINC000877743781 590411286 /nfs/dbraw/zinc/41/12/86/590411286.db2.gz YGSSTQGRIFIXCK-RDBSUJKOSA-N 1 3 236.359 1.705 20 0 BDADHO CN1CC[C@@H]2C[N@H+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000877743777 590411332 /nfs/dbraw/zinc/41/13/32/590411332.db2.gz YGSSTQGRIFIXCK-MCIONIFRSA-N 1 3 236.359 1.705 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](C[C@H]3CCC=CO3)CC[C@@H]21 ZINC000877743777 590411333 /nfs/dbraw/zinc/41/13/33/590411333.db2.gz YGSSTQGRIFIXCK-MCIONIFRSA-N 1 3 236.359 1.705 20 0 BDADHO CC(C)[C@H](O)CC[NH+]1CCC(N(C)C)CC1 ZINC000877959694 590458379 /nfs/dbraw/zinc/45/83/79/590458379.db2.gz RDLQVPFQJRDOGH-CYBMUJFWSA-N 1 3 228.380 1.419 20 0 BDADHO CC(C)[C@@H](O)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000878105160 590495141 /nfs/dbraw/zinc/49/51/41/590495141.db2.gz XFEWNDVNBZFSOG-STQMWFEESA-N 1 3 228.380 1.277 20 0 BDADHO CN1CC[C@@H]2C[N@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812618 /nfs/dbraw/zinc/81/26/18/590812618.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CC[C@@H]2C[N@@H+](CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812620 /nfs/dbraw/zinc/81/26/20/590812620.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812622 /nfs/dbraw/zinc/81/26/22/590812622.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(CCC(C)(C)O)CC[C@@H]21 ZINC000879573992 590812623 /nfs/dbraw/zinc/81/26/23/590812623.db2.gz VJZRZARIKPKRBS-NEPJUHHUSA-N 1 3 226.364 1.173 20 0 BDADHO CN1CC[C@H]2C[N@H+](CCCF)CC[C@@H]21 ZINC000879577551 590813209 /nfs/dbraw/zinc/81/32/09/590813209.db2.gz YANASPRHYZRBCW-QWRGUYRKSA-N 1 3 200.301 1.372 20 0 BDADHO CN1CC[C@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC000879577551 590813214 /nfs/dbraw/zinc/81/32/14/590813214.db2.gz YANASPRHYZRBCW-QWRGUYRKSA-N 1 3 200.301 1.372 20 0 BDADHO C[N@@H+]1CC[C@@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000879573797 590813728 /nfs/dbraw/zinc/81/37/28/590813728.db2.gz RQVHPTOFXJPRHP-VXGBXAGGSA-N 1 3 226.440 1.890 20 0 BDADHO C[N@H+]1CC[C@@H]2CN(C[Si](C)(C)C)CC[C@H]21 ZINC000879573797 590813732 /nfs/dbraw/zinc/81/37/32/590813732.db2.gz RQVHPTOFXJPRHP-VXGBXAGGSA-N 1 3 226.440 1.890 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880142970 590944677 /nfs/dbraw/zinc/94/46/77/590944677.db2.gz WYABWXQEBJVFQF-MGPQQGTHSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880142970 590944680 /nfs/dbraw/zinc/94/46/80/590944680.db2.gz WYABWXQEBJVFQF-MGPQQGTHSA-N 1 3 237.391 1.249 20 0 BDADHO CC1(N2CCC2)CC[NH+](CCCF)CC1 ZINC000880473138 591053791 /nfs/dbraw/zinc/05/37/91/591053791.db2.gz QFYDOVMCEGJILW-UHFFFAOYSA-N 1 3 214.328 1.906 20 0 BDADHO CC1(N2CCC2)CC[NH+](CCCCO)CC1 ZINC000880471946 591052808 /nfs/dbraw/zinc/05/28/08/591052808.db2.gz BDMYZESHZXSVPO-UHFFFAOYSA-N 1 3 226.364 1.319 20 0 BDADHO C(CN1CCCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000129177393 591267007 /nfs/dbraw/zinc/26/70/07/591267007.db2.gz SLSBVNJCKTZJDB-CQSZACIVSA-N 1 3 239.407 1.594 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H](O)c2ccccc2)CC[N@@H+]1C ZINC000129610962 591339678 /nfs/dbraw/zinc/33/96/78/591339678.db2.gz MMILFXRAWYPNRF-YUELXQCFSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@@H]1C[C@H](NC[C@H](O)c2ccccc2)CC[N@H+]1C ZINC000129610962 591339682 /nfs/dbraw/zinc/33/96/82/591339682.db2.gz MMILFXRAWYPNRF-YUELXQCFSA-N 1 3 248.370 1.792 20 0 BDADHO CCN1CC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC000882958635 591483813 /nfs/dbraw/zinc/48/38/13/591483813.db2.gz GIGMDBPEVYSDJH-LBPRGKRZSA-N 1 3 231.343 1.887 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CC2(CCC2)CO1 ZINC000883441767 591669995 /nfs/dbraw/zinc/66/99/95/591669995.db2.gz XCKUNLKNKUTRHH-UTUOFQBUSA-N 1 3 238.375 1.661 20 0 BDADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000883441767 591669997 /nfs/dbraw/zinc/66/99/97/591669997.db2.gz XCKUNLKNKUTRHH-UTUOFQBUSA-N 1 3 238.375 1.661 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H](C)CCO)CC1 ZINC000132247927 591695813 /nfs/dbraw/zinc/69/58/13/591695813.db2.gz TUOSUCSOLQESEG-GFCCVEGCSA-N 1 3 228.380 1.467 20 0 BDADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000133809790 591861003 /nfs/dbraw/zinc/86/10/03/591861003.db2.gz SAQSZIBOWJSVDB-IJLUTSLNSA-N 1 3 243.395 1.062 20 0 BDADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000133809392 591861144 /nfs/dbraw/zinc/86/11/44/591861144.db2.gz SAQSZIBOWJSVDB-QJPTWQEYSA-N 1 3 243.395 1.062 20 0 BDADHO Cc1ccncc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000135499810 592015024 /nfs/dbraw/zinc/01/50/24/592015024.db2.gz PGKPKHKJZAVSDI-LBPRGKRZSA-N 1 3 233.359 1.949 20 0 BDADHO CN(C)C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885953863 592114923 /nfs/dbraw/zinc/11/49/23/592114923.db2.gz HRLCZPHNMSLKFM-JSGCOSHPSA-N 1 3 238.375 1.439 20 0 BDADHO C[NH+](C)C1CCN(C[C@@H]2C[C@]23CCOC3)CC1 ZINC000885953863 592114925 /nfs/dbraw/zinc/11/49/25/592114925.db2.gz HRLCZPHNMSLKFM-JSGCOSHPSA-N 1 3 238.375 1.439 20 0 BDADHO C(=C/C[N@@H+]1C[C@@H]2C[C@@H]2C1)\CN1C[C@@H]2C[C@@H]2C1 ZINC000886345194 592212748 /nfs/dbraw/zinc/21/27/48/592212748.db2.gz UNBVVPDDALPJSF-DFNZGJFHSA-N 1 3 218.344 1.446 20 0 BDADHO C(=C/C[N@H+]1C[C@@H]2C[C@@H]2C1)\CN1C[C@@H]2C[C@@H]2C1 ZINC000886345194 592212751 /nfs/dbraw/zinc/21/27/51/592212751.db2.gz UNBVVPDDALPJSF-DFNZGJFHSA-N 1 3 218.344 1.446 20 0 BDADHO CCC1(N2CCC2)CC[NH+]([C@H](C)COC)CC1 ZINC000886711400 592309318 /nfs/dbraw/zinc/30/93/18/592309318.db2.gz VMDKNTYPOAJAMQ-CYBMUJFWSA-N 1 3 240.391 1.972 20 0 BDADHO CO[C@@H](C)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134462 592449477 /nfs/dbraw/zinc/44/94/77/592449477.db2.gz KAXHYOGAJARLKV-STQMWFEESA-N 1 3 249.358 1.627 20 0 BDADHO CN1CCC[C@H]1CC[N@H+](C)CCCF ZINC000887141341 592457470 /nfs/dbraw/zinc/45/74/70/592457470.db2.gz OZPNHCIBJPAVMV-NSHDSACASA-N 1 3 202.317 1.762 20 0 BDADHO CN1CCC[C@H]1CC[N@@H+](C)CCCF ZINC000887141341 592457471 /nfs/dbraw/zinc/45/74/71/592457471.db2.gz OZPNHCIBJPAVMV-NSHDSACASA-N 1 3 202.317 1.762 20 0 BDADHO CN(C)CC(C)(C)CNC(=[NH2+])NCC1CC1 ZINC000887345985 592483887 /nfs/dbraw/zinc/48/38/87/592483887.db2.gz MGRJHVLMEUTISW-UHFFFAOYSA-N 1 3 226.368 1.098 20 0 BDADHO CC[C@@H]1C[C@H](N[C@@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000925704918 634385773 /nfs/dbraw/zinc/38/57/73/634385773.db2.gz IJTWOSULIQQXOO-UMSGYPCISA-N 1 3 226.364 1.674 20 0 BDADHO Cc1[nH]ncc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000257723643 634481806 /nfs/dbraw/zinc/48/18/06/634481806.db2.gz VZHLPYUWPUBMDA-LBPRGKRZSA-N 1 3 220.320 1.046 20 0 BDADHO Cc1cc(CCN[C@H]2CCC[C@H]([NH3+])C2)nn1C ZINC000925831215 635467865 /nfs/dbraw/zinc/46/78/65/635467865.db2.gz CZXWXCUCDWRJTO-RYUDHWBXSA-N 1 3 236.363 1.131 20 0 BDADHO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCO1 ZINC000925839863 635503810 /nfs/dbraw/zinc/50/38/10/635503810.db2.gz FCRAHJDAGJOHFG-AAVRWANBSA-N 1 3 238.375 1.676 20 0 BDADHO CC[NH+](CC)CCCNc1ccncc1CO ZINC000891433686 631243332 /nfs/dbraw/zinc/24/33/32/631243332.db2.gz DBPQXCWVMZEIHT-UHFFFAOYSA-N 1 3 237.347 1.140 20 0 BDADHO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000235087396 631941716 /nfs/dbraw/zinc/94/17/16/631941716.db2.gz ZILWMZWCUSNJNF-GHMZBOCLSA-N 1 3 228.405 1.989 20 0 BDADHO CC(C)CNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000052040839 632051631 /nfs/dbraw/zinc/05/16/31/632051631.db2.gz CBPQLDZFKDURJZ-UHFFFAOYSA-N 1 3 242.411 1.875 20 0 BDADHO CCCNC(=[NH2+])NCCN1CCCCCC1 ZINC000052043198 632053226 /nfs/dbraw/zinc/05/32/26/632053226.db2.gz MSMVPGRVQFGGRO-UHFFFAOYSA-N 1 3 226.368 1.386 20 0 BDADHO CC[C@@H](NC(CN)C[NH3+])c1ccccc1 ZINC000309452824 632099077 /nfs/dbraw/zinc/09/90/77/632099077.db2.gz MXECDPZYUONEMZ-GFCCVEGCSA-N 1 3 207.321 1.013 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CCO1 ZINC000235379243 632681651 /nfs/dbraw/zinc/68/16/51/632681651.db2.gz MUBYGEHTHXMTSC-FDYHWXHSSA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN1CCCC1 ZINC000310310794 632718735 /nfs/dbraw/zinc/71/87/35/632718735.db2.gz WMEOQIKXHRHKPD-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H]1C[C@@H](NC[C@H]2C[C@@H]([NH+](C)C)C2)c2ncnn21 ZINC000926666356 632793863 /nfs/dbraw/zinc/79/38/63/632793863.db2.gz SWFLNFXPVPELKO-NNYUYHANSA-N 1 3 249.362 1.214 20 0 BDADHO C[N@H+](CCCN1CCCC1)C[C@@H](O)C1CC1 ZINC000162562392 633031368 /nfs/dbraw/zinc/03/13/68/633031368.db2.gz DKFFJNFBVDZLFS-CYBMUJFWSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+](CCCN1CCCC1)C[C@@H](O)C1CC1 ZINC000162562392 633031374 /nfs/dbraw/zinc/03/13/74/633031374.db2.gz DKFFJNFBVDZLFS-CYBMUJFWSA-N 1 3 226.364 1.175 20 0 BDADHO C1=CC[C@H](N[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328461089 633767030 /nfs/dbraw/zinc/76/70/30/633767030.db2.gz URGKJZJTVFCLOP-VZKILSJISA-N 1 3 218.344 1.681 20 0 BDADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)[C@H]1CCSC1 ZINC000328444632 633767062 /nfs/dbraw/zinc/76/70/62/633767062.db2.gz NRGUXHYWNBZYEW-KQAFNVIJSA-N 1 3 238.400 1.326 20 0 BDADHO CCN1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328546027 633772796 /nfs/dbraw/zinc/77/27/96/633772796.db2.gz NHNBUTJCHWHBFB-UJOWSUJOSA-N 1 3 249.402 1.057 20 0 BDADHO [NH3+][C@H]1C[C@@H](NCCNc2ccccc2)C12CCC2 ZINC000925537576 633940902 /nfs/dbraw/zinc/94/09/02/633940902.db2.gz MHJUGFUDEALUNY-UONOGXRCSA-N 1 3 245.370 1.958 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]CCc2ccccc2O)C12CCC2 ZINC000925616236 634160114 /nfs/dbraw/zinc/16/01/14/634160114.db2.gz LLCUSLYVGIRMFA-ZIAGYGMSSA-N 1 3 246.354 1.794 20 0 BDADHO OC[C@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925617196 634167856 /nfs/dbraw/zinc/16/78/56/634167856.db2.gz VUJOJSWPPTVNAQ-JHJVBQTASA-N 1 3 238.375 1.412 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643425 634196741 /nfs/dbraw/zinc/19/67/41/634196741.db2.gz IMRCISFMKNRCND-QJPTWQEYSA-N 1 3 246.358 1.057 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)C12CCC2 ZINC000925643425 634196743 /nfs/dbraw/zinc/19/67/43/634196743.db2.gz IMRCISFMKNRCND-QJPTWQEYSA-N 1 3 246.358 1.057 20 0 BDADHO C[C@H](Cc1cnn(C)c1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925687571 634304614 /nfs/dbraw/zinc/30/46/14/634304614.db2.gz CUPWYYZDVVGERO-WXHSDQCUSA-N 1 3 248.374 1.211 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000925695723 634349017 /nfs/dbraw/zinc/34/90/17/634349017.db2.gz WFJFKOVHDYMBSL-RWMBFGLXSA-N 1 3 226.364 1.391 20 0 BDADHO c1ccc(CN2CC[C@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000094079588 635179543 /nfs/dbraw/zinc/17/95/43/635179543.db2.gz IDHKQPPDNXBEFW-CABCVRRESA-N 1 3 245.370 1.212 20 0 BDADHO C[C@H](Cc1cnccn1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000925777499 635261731 /nfs/dbraw/zinc/26/17/31/635261731.db2.gz FBFQNJUEIONYBD-WOPDTQHZSA-N 1 3 234.347 1.267 20 0 BDADHO C[C@@H]1CNC[C@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000925782765 635280417 /nfs/dbraw/zinc/28/04/17/635280417.db2.gz HQDNSRHTUNVIIM-WRWGMCAJSA-N 1 3 214.328 1.712 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CCN[C@H]1C[C@H](C)n2ccnc21 ZINC000925801583 635346887 /nfs/dbraw/zinc/34/68/87/635346887.db2.gz BLPXMPBCCBVOKP-XQHKEYJVSA-N 1 3 248.374 1.724 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2cnn(C)c2)C1 ZINC000226422541 636416838 /nfs/dbraw/zinc/41/68/38/636416838.db2.gz LKLUOWMHUZADJF-WCQYABFASA-N 1 3 236.363 1.022 20 0 BDADHO C[N@@H+]1C[C@@H]2CN(C[C@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621569 636826612 /nfs/dbraw/zinc/82/66/12/636826612.db2.gz IWFDHTCLBVQDKU-MCIONIFRSA-N 1 3 236.359 1.563 20 0 BDADHO C[N@H+]1C[C@@H]2CN(C[C@H]3CCC=CO3)C[C@]2(C)C1 ZINC000897621569 636826615 /nfs/dbraw/zinc/82/66/15/636826615.db2.gz IWFDHTCLBVQDKU-MCIONIFRSA-N 1 3 236.359 1.563 20 0 BDADHO CCO[C@H](CN[C@H](C)[C@H]1CCCO1)C[NH+](C)C ZINC000926960819 636972230 /nfs/dbraw/zinc/97/22/30/636972230.db2.gz NNAVWDGLXFLQEM-JHJVBQTASA-N 1 3 244.379 1.110 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924706591 637015802 /nfs/dbraw/zinc/01/58/02/637015802.db2.gz QEDGGYVBSQOTEG-VXGBXAGGSA-N 1 3 228.380 1.325 20 0 BDADHO CCCCCN(CCO)C[C@H]1CCCC[NH2+]C1 ZINC000903725091 637378449 /nfs/dbraw/zinc/37/84/49/637378449.db2.gz WKMDSPNGTQAONI-AWEZNQCLSA-N 1 3 242.407 1.861 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+][C@@]1(C)CCNC1=O ZINC000904469175 637424155 /nfs/dbraw/zinc/42/41/55/637424155.db2.gz JDQROVRTXGEOQE-GWCFXTLKSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)(C)NCc1cn(C2CC[NH2+]CC2)nn1 ZINC000905057260 637594509 /nfs/dbraw/zinc/59/45/09/637594509.db2.gz NXLNBFOTBMIGJO-UHFFFAOYSA-N 1 3 237.351 1.091 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000906500769 638195257 /nfs/dbraw/zinc/19/52/57/638195257.db2.gz NNGJWHXGCDSOGU-WCQYABFASA-N 1 3 248.374 1.203 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)C[C@@H](C)CC ZINC000911881402 639866561 /nfs/dbraw/zinc/86/65/61/639866561.db2.gz QXQKOOSLAAHFTP-TUAOUCFPSA-N 1 3 243.395 1.384 20 0 BDADHO CO[C@@H]1CC[C@@H](N2CCC(C)([NH+](C)C)CC2)C1 ZINC000931354612 640167481 /nfs/dbraw/zinc/16/74/81/640167481.db2.gz KZOZXVYBMJSJJT-CHWSQXEVSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@@H]([NH+]2CCC(C)(N(C)C)CC2)C1 ZINC000931354612 640167484 /nfs/dbraw/zinc/16/74/84/640167484.db2.gz KZOZXVYBMJSJJT-CHWSQXEVSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@H]1OCC[C@@H]1C[NH+]1CCC(C)(N(C)C)CC1 ZINC000931355987 640171023 /nfs/dbraw/zinc/17/10/23/640171023.db2.gz XMAWTLURBTUZGW-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@H]1OCC[C@@H]1CN1CCC(C)([NH+](C)C)CC1 ZINC000931355987 640171027 /nfs/dbraw/zinc/17/10/27/640171027.db2.gz XMAWTLURBTUZGW-CHWSQXEVSA-N 1 3 240.391 1.828 20 0 BDADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440353 640206483 /nfs/dbraw/zinc/20/64/83/640206483.db2.gz WPVPKGKOUCYNEW-HZSPNIEDSA-N 1 3 220.360 1.979 20 0 BDADHO CN1CC[C@@H]2C[N@H+]([C@@H]3C=CCCC3)C[C@@H]2C1 ZINC000931440353 640206485 /nfs/dbraw/zinc/20/64/85/640206485.db2.gz WPVPKGKOUCYNEW-HZSPNIEDSA-N 1 3 220.360 1.979 20 0 BDADHO C[N@@H+]1C[C@@H]2CN(CCCF)C[C@]2(C)C1 ZINC000933740034 640757157 /nfs/dbraw/zinc/75/71/57/640757157.db2.gz NXBMASIDILJOJA-MNOVXSKESA-N 1 3 200.301 1.230 20 0 BDADHO C[N@H+]1C[C@@H]2CN(CCCF)C[C@]2(C)C1 ZINC000933740034 640757160 /nfs/dbraw/zinc/75/71/60/640757160.db2.gz NXBMASIDILJOJA-MNOVXSKESA-N 1 3 200.301 1.230 20 0 BDADHO CCC[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734195 640758523 /nfs/dbraw/zinc/75/85/23/640758523.db2.gz PYASNVDQBLEHQU-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO CCC[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734195 640758545 /nfs/dbraw/zinc/75/85/45/640758545.db2.gz PYASNVDQBLEHQU-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229216453 640934658 /nfs/dbraw/zinc/93/46/58/640934658.db2.gz SCGXFQKVRUYMPM-NEPJUHHUSA-N 1 3 228.405 1.847 20 0 BDADHO C[C@@]1(CNC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000062862300 641101618 /nfs/dbraw/zinc/10/16/18/641101618.db2.gz CKQGKNZSKRGYIF-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO [NH3+]C[C@H]1CCCN(C[C@@H](O)CC2CCCC2)C1 ZINC000232148406 641249987 /nfs/dbraw/zinc/24/99/87/641249987.db2.gz JMZAMOFSPQOQHK-KGLIPLIRSA-N 1 3 240.391 1.598 20 0 BDADHO Cc1cc(NCC2([NH+](C)C)CCC2)nc(N)n1 ZINC000097936505 642641176 /nfs/dbraw/zinc/64/11/76/642641176.db2.gz PGDLEXMBCHPDAD-UHFFFAOYSA-N 1 3 235.335 1.263 20 0 BDADHO CCO[C@H]1C[C@@H](NCC2([NH3+])CC2)C1(C)C ZINC000233769660 642693976 /nfs/dbraw/zinc/69/39/76/642693976.db2.gz IIASQRCDESJCGX-ZJUUUORDSA-N 1 3 212.337 1.271 20 0 BDADHO CCCCN1CCCC[C@H]1CNC(NC)=[NH+]C ZINC000066245829 643165338 /nfs/dbraw/zinc/16/53/38/643165338.db2.gz TYSPCZOHENPYQX-LBPRGKRZSA-N 1 3 240.395 1.436 20 0 BDADHO COC[C@@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000081051442 643492237 /nfs/dbraw/zinc/49/22/37/643492237.db2.gz SBPJLSLOSYTOPE-LLVKDONJSA-N 1 3 212.337 1.097 20 0 BDADHO C[C@H](CNCc1cc[nH]c(=O)c1)C[NH+]1CCCC1 ZINC000921551281 643602912 /nfs/dbraw/zinc/60/29/12/643602912.db2.gz BYXVBVKTQJRXDS-GFCCVEGCSA-N 1 3 249.358 1.609 20 0 BDADHO C[C@H]1[C@@H](NCc2cnccc2N(C)C)CC[N@@H+]1C ZINC000922558809 644021507 /nfs/dbraw/zinc/02/15/07/644021507.db2.gz XDPZFYPIUFONNT-AAEUAGOBSA-N 1 3 248.374 1.330 20 0 BDADHO C[C@H]1[C@@H](NCc2cnccc2N(C)C)CC[N@H+]1C ZINC000922558809 644021510 /nfs/dbraw/zinc/02/15/10/644021510.db2.gz XDPZFYPIUFONNT-AAEUAGOBSA-N 1 3 248.374 1.330 20 0 BDADHO C[C@@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000086500941 644144718 /nfs/dbraw/zinc/14/47/18/644144718.db2.gz XOSLWBJEDOSSKX-UTUOFQBUSA-N 1 3 214.353 1.268 20 0 BDADHO CC(C)CC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000923335177 644357508 /nfs/dbraw/zinc/35/75/08/644357508.db2.gz LXGFTRMHODGCBD-KGLIPLIRSA-N 1 3 242.407 1.857 20 0 BDADHO C[C@@H](NC(CN)C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000923351873 644370661 /nfs/dbraw/zinc/37/06/61/644370661.db2.gz PGVOPEOLBUZGKA-LLVKDONJSA-N 1 3 249.402 1.921 20 0 BDADHO CC(C)CC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923356776 644375885 /nfs/dbraw/zinc/37/58/85/644375885.db2.gz ULHGJWLONJUHDK-QWHCGFSZSA-N 1 3 228.380 1.454 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000923367878 644378214 /nfs/dbraw/zinc/37/82/14/644378214.db2.gz KKCSFTIIIZXDDW-CFVMTHIKSA-N 1 3 248.370 1.402 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@H+]1C[C@H](O)CCc1ccccc1 ZINC000923367878 644378217 /nfs/dbraw/zinc/37/82/17/644378217.db2.gz KKCSFTIIIZXDDW-CFVMTHIKSA-N 1 3 248.370 1.402 20 0 BDADHO CC(C)CC[C@@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923368343 644380237 /nfs/dbraw/zinc/38/02/37/644380237.db2.gz AWJKUZHNOYPQIG-CHWSQXEVSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)CC[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923368343 644380245 /nfs/dbraw/zinc/38/02/45/644380245.db2.gz AWJKUZHNOYPQIG-CHWSQXEVSA-N 1 3 242.407 1.761 20 0 BDADHO CC(C)OCC[C@@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923381565 644394681 /nfs/dbraw/zinc/39/46/81/644394681.db2.gz JNWPBUHXGFSQMA-JHJVBQTASA-N 1 3 244.379 1.022 20 0 BDADHO Cc1ccc(CC[NH+]2CCNCCNCC2)cc1 ZINC000923461783 644445264 /nfs/dbraw/zinc/44/52/64/644445264.db2.gz VUEBEOZGNCSVAU-UHFFFAOYSA-N 1 3 247.386 1.032 20 0 BDADHO CCOC(=O)[C@H](CC)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496343 644462137 /nfs/dbraw/zinc/46/21/37/644462137.db2.gz HMVDQEBVHKXWBM-SRVKXCTJSA-N 1 3 242.363 1.245 20 0 BDADHO COc1ccc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)cn1 ZINC000923492129 644468287 /nfs/dbraw/zinc/46/82/87/644468287.db2.gz WFECFTXNQIEJHZ-AAEUAGOBSA-N 1 3 249.358 1.507 20 0 BDADHO Cc1cc(CN2CC[C@@H](C[NH3+])[C@@H](C)C2)on1 ZINC000923499554 644471828 /nfs/dbraw/zinc/47/18/28/644471828.db2.gz SNCJDJOIQJKOHV-ONGXEEELSA-N 1 3 223.320 1.400 20 0 BDADHO O[C@H](CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000923515582 644479814 /nfs/dbraw/zinc/47/98/14/644479814.db2.gz HREQYDVBBNWBFH-RRFJBIMHSA-N 1 3 246.354 1.261 20 0 BDADHO CC(C)C[C@@H]1CN(C)CCN1C[C@H]1CCC[NH2+]1 ZINC000923554715 644498653 /nfs/dbraw/zinc/49/86/53/644498653.db2.gz OLMKIYZZYSDUMB-ZIAGYGMSSA-N 1 3 239.407 1.401 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H]1CC1(F)F ZINC000926738555 645395222 /nfs/dbraw/zinc/39/52/22/645395222.db2.gz ULEQUGXJYXZFMD-PSIUFMSWSA-N 1 3 244.329 1.962 20 0 BDADHO CCN1CCC[C@H](N[C@H]2CC[NH2+]C2(C)C)C1 ZINC000925494106 645730106 /nfs/dbraw/zinc/73/01/06/645730106.db2.gz NJDVRGXIMUDFOB-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)C[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000122598016 645744079 /nfs/dbraw/zinc/74/40/79/645744079.db2.gz MFDUYTCGKJSEIU-AWEZNQCLSA-N 1 3 242.407 1.856 20 0 BDADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccnnc1 ZINC000924648597 646085916 /nfs/dbraw/zinc/08/59/16/646085916.db2.gz MFVAUZWVLVHGHH-RYUDHWBXSA-N 1 3 246.358 1.612 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C(C)(C)CO)C1 ZINC000924755828 646102608 /nfs/dbraw/zinc/10/26/08/646102608.db2.gz XKCSKRVWFZTUCZ-OLZOCXBDSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@H]1NCCC[C@@H]1[NH2+]CCOc1cccnc1 ZINC000925487025 646296285 /nfs/dbraw/zinc/29/62/85/646296285.db2.gz ARLOHWDIXCQNMZ-YPMHNXCESA-N 1 3 235.331 1.191 20 0 BDADHO C1C[C@@H]2CC[C@H](N[C@@H]3C[NH2+]CCOC3)C[C@@H]2C1 ZINC000925515067 646310149 /nfs/dbraw/zinc/31/01/49/646310149.db2.gz SEOVGSREPXFREA-ZOBORPQBSA-N 1 3 238.375 1.533 20 0 BDADHO CO[C@H](C[NH2+][C@@H]1C[C@H](N)C12CCC2)C(C)(C)C ZINC000925525931 646316707 /nfs/dbraw/zinc/31/67/07/646316707.db2.gz GIMULOBUXAJPQA-QJPTWQEYSA-N 1 3 240.391 1.907 20 0 BDADHO CO[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)C(C)(C)C ZINC000925525931 646316711 /nfs/dbraw/zinc/31/67/11/646316711.db2.gz GIMULOBUXAJPQA-QJPTWQEYSA-N 1 3 240.391 1.907 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCNc1ccccn1 ZINC000925538568 646322014 /nfs/dbraw/zinc/32/20/14/646322014.db2.gz VBSHFOLRUGPWMU-QWHCGFSZSA-N 1 3 248.374 1.614 20 0 BDADHO C[C@@H]1CCCN(CCN[C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925548491 646326436 /nfs/dbraw/zinc/32/64/36/646326436.db2.gz CITWUOKPZTVIDN-CHWSQXEVSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925550838 646329925 /nfs/dbraw/zinc/32/99/25/646329925.db2.gz DJTQVXPLFCNYQI-CABNGKKXSA-N 1 3 249.402 1.329 20 0 BDADHO C[C@H]1CCCN1CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925621835 646367189 /nfs/dbraw/zinc/36/71/89/646367189.db2.gz GZAVALVXRJSMKU-NWDGAFQWSA-N 1 3 225.380 1.201 20 0 BDADHO CCOCCC1(CN[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925622452 646369299 /nfs/dbraw/zinc/36/92/99/646369299.db2.gz NLFORUADXYTNDD-OLZOCXBDSA-N 1 3 240.391 1.923 20 0 BDADHO CCOCCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925622454 646370020 /nfs/dbraw/zinc/37/00/20/646370020.db2.gz NLFORUADXYTNDD-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO OCCCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925654123 646392072 /nfs/dbraw/zinc/39/20/72/646392072.db2.gz PYRHELAUNJYTQJ-LLVKDONJSA-N 1 3 212.337 1.023 20 0 BDADHO OCCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925656225 646394795 /nfs/dbraw/zinc/39/47/95/646394795.db2.gz JBKROEWPUYEISY-KBPBESRZSA-N 1 3 240.391 1.517 20 0 BDADHO [NH3+][C@H]1C[C@@H](N[C@H]2CCCOC2)C12CCC2 ZINC000925675093 646404846 /nfs/dbraw/zinc/40/48/46/646404846.db2.gz UWHFAFOSQSTVLJ-GARJFASQSA-N 1 3 210.321 1.025 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCCOC2)C12CCC2 ZINC000925675093 646404849 /nfs/dbraw/zinc/40/48/49/646404849.db2.gz UWHFAFOSQSTVLJ-GARJFASQSA-N 1 3 210.321 1.025 20 0 BDADHO C(N[C@H]1C[NH2+]CCOC1)C1CCCCCC1 ZINC000925683034 646405571 /nfs/dbraw/zinc/40/55/71/646405571.db2.gz JOWXRFLRUHKIHR-ZDUSSCGKSA-N 1 3 226.364 1.535 20 0 BDADHO C(N[C@@H]1C[NH2+]CCOC1)C1CCCCCC1 ZINC000925683033 646405816 /nfs/dbraw/zinc/40/58/16/646405816.db2.gz JOWXRFLRUHKIHR-CYBMUJFWSA-N 1 3 226.364 1.535 20 0 BDADHO C[C@@H](N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CC1 ZINC000925678922 646407664 /nfs/dbraw/zinc/40/76/64/646407664.db2.gz AWWZANVYOIMZMF-JMYYVLRJSA-N 1 3 206.333 1.371 20 0 BDADHO CO[C@@H](C)CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925712096 646435855 /nfs/dbraw/zinc/43/58/55/646435855.db2.gz OSFXFJSYYKNPEP-UBHSHLNASA-N 1 3 240.391 1.779 20 0 BDADHO CO[C@@H](C)C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925712096 646435860 /nfs/dbraw/zinc/43/58/60/646435860.db2.gz OSFXFJSYYKNPEP-UBHSHLNASA-N 1 3 240.391 1.779 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cccc(N)c1 ZINC000925714801 646439374 /nfs/dbraw/zinc/43/93/74/646439374.db2.gz WWJVCRNWLOZKJS-GWCFXTLKSA-N 1 3 219.332 1.499 20 0 BDADHO C[C@@H](CN[C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925716436 646441096 /nfs/dbraw/zinc/44/10/96/646441096.db2.gz QQUYIGUTBCOWFR-JSGCOSHPSA-N 1 3 240.391 1.781 20 0 BDADHO C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CN1 ZINC000925717862 646442832 /nfs/dbraw/zinc/44/28/32/646442832.db2.gz IKDLSDAPGWVDFN-FDYHWXHSSA-N 1 3 224.348 1.143 20 0 BDADHO C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC2(CCC2)CO1 ZINC000925772145 646473964 /nfs/dbraw/zinc/47/39/64/646473964.db2.gz GEPNJLQPKXFEEW-OLZOCXBDSA-N 1 3 238.375 1.677 20 0 BDADHO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNC[C@H]1C ZINC000925785607 646481938 /nfs/dbraw/zinc/48/19/38/646481938.db2.gz PYOPGUFSUZPAAM-MROQNXINSA-N 1 3 226.364 1.389 20 0 BDADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1C[NH2+]C[C@H]1C ZINC000925786708 646483029 /nfs/dbraw/zinc/48/30/29/646483029.db2.gz VDVOHIOMPJTHOC-OLUVUFQESA-N 1 3 248.374 1.107 20 0 BDADHO CO[C@@H](C)[C@H](C)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925840516 646506306 /nfs/dbraw/zinc/50/63/06/646506306.db2.gz AZAQKGVWKFSTMO-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925860421 646512921 /nfs/dbraw/zinc/51/29/21/646512921.db2.gz YKCALEIQDZKPFL-SDDRHHMPSA-N 1 3 226.364 1.397 20 0 BDADHO CCOCCOCC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000925875386 646523742 /nfs/dbraw/zinc/52/37/42/646523742.db2.gz SIZNNMYUYVREQP-QWHCGFSZSA-N 1 3 244.379 1.160 20 0 BDADHO CCOCCOCC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000925875384 646524721 /nfs/dbraw/zinc/52/47/21/646524721.db2.gz SIZNNMYUYVREQP-CHWSQXEVSA-N 1 3 244.379 1.160 20 0 BDADHO Cc1cc(CN2C[C@@H](C)[C@H](CC[NH3+])C2)nn1C ZINC000723886000 711543219 /nfs/dbraw/zinc/54/32/19/711543219.db2.gz FPRMZNLTTCPOTA-ZYHUDNBSSA-N 1 3 236.363 1.145 20 0 BDADHO CCCCC1(NC[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000934203628 711575166 /nfs/dbraw/zinc/57/51/66/711575166.db2.gz TWRYJIUUYULTOO-CYBMUJFWSA-N 1 3 242.407 2.000 20 0 BDADHO CCCCC1(NC[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000934203628 711575168 /nfs/dbraw/zinc/57/51/68/711575168.db2.gz TWRYJIUUYULTOO-CYBMUJFWSA-N 1 3 242.407 2.000 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCC2=CCCC2)C12CCC2 ZINC000702365263 712048628 /nfs/dbraw/zinc/04/86/28/712048628.db2.gz VMTOCLJYXUNOBZ-VXGBXAGGSA-N 1 3 206.333 1.956 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+]CC2=CCCC2)C12CCC2 ZINC000702365263 712048630 /nfs/dbraw/zinc/04/86/30/712048630.db2.gz VMTOCLJYXUNOBZ-VXGBXAGGSA-N 1 3 206.333 1.956 20 0 BDADHO C[C@H](NCCC1CC[NH2+]CC1)c1ncc[nH]1 ZINC000702670287 712057887 /nfs/dbraw/zinc/05/78/87/712057887.db2.gz VPFZYUAPFSYBGL-JTQLQIEISA-N 1 3 222.336 1.450 20 0 BDADHO CC1(C)C[C@@H](C[N@@H+]2CC[C@H](CN)C2)C(C)(C)O1 ZINC000709687389 712215495 /nfs/dbraw/zinc/21/54/95/712215495.db2.gz PRRAMGNZXOOCNC-NEPJUHHUSA-N 1 3 240.391 1.861 20 0 BDADHO CC1(C)C[C@@H](C[N@H+]2CC[C@H](CN)C2)C(C)(C)O1 ZINC000709687389 712215497 /nfs/dbraw/zinc/21/54/97/712215497.db2.gz PRRAMGNZXOOCNC-NEPJUHHUSA-N 1 3 240.391 1.861 20 0 BDADHO C=C/C=C/CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000713730612 712470838 /nfs/dbraw/zinc/47/08/38/712470838.db2.gz DBGIYVSFHUWHAJ-OOPCZODUSA-N 1 3 206.333 1.804 20 0 BDADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CC(C)(C)CO1 ZINC000717647068 712663397 /nfs/dbraw/zinc/66/33/97/712663397.db2.gz BOWAAIKNICMSHS-GHMZBOCLSA-N 1 3 228.380 1.765 20 0 BDADHO CO[C@H](C)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396544580 710906888 /nfs/dbraw/zinc/90/68/88/710906888.db2.gz BPOBAGGWMGOPOS-OUAUKWLOSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H](CCO)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396716764 710907661 /nfs/dbraw/zinc/90/76/61/710907661.db2.gz UEBIIDMRLFSDES-QJPTWQEYSA-N 1 3 214.353 1.125 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](CCO)C1CC1 ZINC000393775704 711174071 /nfs/dbraw/zinc/17/40/71/711174071.db2.gz KIXKAPUYEAXBSS-ZDUSSCGKSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[C@@H](CO)C1 ZINC000396570264 711355298 /nfs/dbraw/zinc/35/52/98/711355298.db2.gz AJWPNBWJWKPXCO-LOWDOPEQSA-N 1 3 226.364 1.268 20 0 BDADHO CCOCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396579219 711357347 /nfs/dbraw/zinc/35/73/47/711357347.db2.gz ONUPWWFJCMVXKD-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO C[N@H+](C[C@@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000398879132 711416328 /nfs/dbraw/zinc/41/63/28/711416328.db2.gz GSPFETAAMVEQQJ-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO C[N@@H+](C[C@@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000398879132 711416329 /nfs/dbraw/zinc/41/63/29/711416329.db2.gz GSPFETAAMVEQQJ-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000398879132 711416330 /nfs/dbraw/zinc/41/63/30/711416330.db2.gz GSPFETAAMVEQQJ-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CC[C@@H]1C[C@H]1CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000723054916 711498051 /nfs/dbraw/zinc/49/80/51/711498051.db2.gz GGYYCXFWAHQMRD-RQJABVFESA-N 1 3 222.376 1.964 20 0 BDADHO CCOC(=O)[C@H](CC)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723892292 711543791 /nfs/dbraw/zinc/54/37/91/711543791.db2.gz QYXKSQPQWIGNIL-UTUOFQBUSA-N 1 3 242.363 1.245 20 0 BDADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CCCOC1 ZINC000723957059 711547487 /nfs/dbraw/zinc/54/74/87/711547487.db2.gz SYOZPSRLIDWIKG-MQYQWHSLSA-N 1 3 240.391 1.922 20 0 BDADHO CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000229085102 711837596 /nfs/dbraw/zinc/83/75/96/711837596.db2.gz FCWOXVWPHBUIIZ-NXEZZACHSA-N 1 3 216.394 1.845 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925473659 711878822 /nfs/dbraw/zinc/87/88/22/711878822.db2.gz NWXRYPJMMRHPPA-CHWSQXEVSA-N 1 3 248.374 1.441 20 0 BDADHO C[C@H]1CN(C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405968 711991977 /nfs/dbraw/zinc/99/19/77/711991977.db2.gz UOCVIOKPQWZAEK-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H](CC[NH2+][C@H]1CCSC1)N(C)C ZINC000700508760 711995061 /nfs/dbraw/zinc/99/50/61/711995061.db2.gz YLWHJXMYYYZGDK-UWVGGRQHSA-N 1 3 202.367 1.422 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]C[C@H]2CCCOC2)C1 ZINC000700819906 712007651 /nfs/dbraw/zinc/00/76/51/712007651.db2.gz VZDMRZJXJLUGKI-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1(Cl)CC1 ZINC000702264792 712043320 /nfs/dbraw/zinc/04/33/20/712043320.db2.gz WCURNUOVTFRIPO-JTQLQIEISA-N 1 3 246.782 1.193 20 0 BDADHO CC(C)(NC[C@H]1C[C@@H]([NH3+])C1)c1nccs1 ZINC000703488480 712076758 /nfs/dbraw/zinc/07/67/58/712076758.db2.gz VRULNEPHCDYCRA-DTORHVGOSA-N 1 3 225.361 1.705 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCC(C)(O)CC1 ZINC000703603709 712082260 /nfs/dbraw/zinc/08/22/60/712082260.db2.gz FLWAUWVMWVNPBE-QCXCNERSSA-N 1 3 226.364 1.410 20 0 BDADHO CC1(O)CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000703602930 712082306 /nfs/dbraw/zinc/08/23/06/712082306.db2.gz MSSUJIPRKNXHKK-CQLXCSJHSA-N 1 3 226.364 1.397 20 0 BDADHO CN[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681286 712215167 /nfs/dbraw/zinc/21/51/67/712215167.db2.gz BBOUTSAKQSOYBG-NWDGAFQWSA-N 1 3 240.391 1.874 20 0 BDADHO CN[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000709681286 712215168 /nfs/dbraw/zinc/21/51/68/712215168.db2.gz BBOUTSAKQSOYBG-NWDGAFQWSA-N 1 3 240.391 1.874 20 0 BDADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCOc1ccccc1)C2 ZINC000709851719 712229776 /nfs/dbraw/zinc/22/97/76/712229776.db2.gz DTOFRJOZYHWFSU-IHRRRGAJSA-N 1 3 246.354 1.877 20 0 BDADHO C[C@H]1COC[C@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000710878213 712260729 /nfs/dbraw/zinc/26/07/29/712260729.db2.gz YZDFCQHKTVCPAE-CMPLNLGQSA-N 1 3 240.391 1.920 20 0 BDADHO COC1(OC)CC[C@@H]1[NH2+][C@@H](C)CCN(C)C ZINC000710962951 712268820 /nfs/dbraw/zinc/26/88/20/712268820.db2.gz SRBNHCCZKLCQHK-QWRGUYRKSA-N 1 3 230.352 1.068 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@@H+]2CCNCCC23CCC3)O1 ZINC000713209540 712455171 /nfs/dbraw/zinc/45/51/71/712455171.db2.gz CIKWYQYNKAOPDM-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1CC[C@@H](C[N@H+]2CCNCCC23CCC3)O1 ZINC000713209540 712455172 /nfs/dbraw/zinc/45/51/72/712455172.db2.gz CIKWYQYNKAOPDM-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO Cc1cc(NC2CCC([NH+](C)C)CC2)nc(N)n1 ZINC000715580873 712527223 /nfs/dbraw/zinc/52/72/23/712527223.db2.gz ZFTGTTLUJWANFG-UHFFFAOYSA-N 1 3 249.362 1.652 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1[C@H]1C[C@H]1C)C1CNC1 ZINC000716666361 712568895 /nfs/dbraw/zinc/56/88/95/712568895.db2.gz XVQSKHYYDLLOJZ-SFBVEUQXSA-N 1 3 208.349 1.476 20 0 BDADHO Cc1cc(CN2CCC([C@H](C)[NH3+])CC2)c(C)nn1 ZINC000720569848 712852248 /nfs/dbraw/zinc/85/22/48/712852248.db2.gz NDUMZFCXOXEMDY-NSHDSACASA-N 1 3 248.374 1.653 20 0 BDADHO CCN(C)C1CC[NH+]([C@H]2CCO[C@H](C)C2)CC1 ZINC001168141804 963847445 /nfs/dbraw/zinc/84/74/45/963847445.db2.gz JZUVISBUAOHDIO-OCCSQVGLSA-N 1 3 240.391 1.970 20 0 BDADHO CSC1(C[NH2+]CC[C@H](C)N(C)C)CC1 ZINC000697868697 964596092 /nfs/dbraw/zinc/59/60/92/964596092.db2.gz CLHZIWXDSRQHMB-JTQLQIEISA-N 1 3 216.394 1.812 20 0 BDADHO C[C@]1(NC2CC[NH+](CC3CC3)CC2)CCOC1 ZINC001168368938 964887546 /nfs/dbraw/zinc/88/75/46/964887546.db2.gz TWBBMBFOVIYFMJ-AWEZNQCLSA-N 1 3 238.375 1.629 20 0 BDADHO CCCC[C@@H](CC)C[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206507053 968347556 /nfs/dbraw/zinc/34/75/56/968347556.db2.gz YPHOMGXKAWJBQP-AGIUHOORSA-N 1 3 228.380 1.454 20 0 BDADHO CCCC[C@@H](CC)C[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206507053 968347566 /nfs/dbraw/zinc/34/75/66/968347566.db2.gz YPHOMGXKAWJBQP-AGIUHOORSA-N 1 3 228.380 1.454 20 0 BDADHO CCN1C[C@@H]2C[C@H]1CN2CC(C)(C)C[NH+](C)C ZINC001207284159 968715055 /nfs/dbraw/zinc/71/50/55/968715055.db2.gz KRKBYOYMIRAXHT-STQMWFEESA-N 1 3 239.407 1.353 20 0 BDADHO CC[N@H+](CCCN(C)C)C[C@@H]1CCCCO1 ZINC001207961754 968961089 /nfs/dbraw/zinc/96/10/89/968961089.db2.gz ATVSPPXEKRNHTI-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CC[N@@H+](CCCN(C)C)C[C@@H]1CCCCO1 ZINC001207961754 968961097 /nfs/dbraw/zinc/96/10/97/968961097.db2.gz ATVSPPXEKRNHTI-ZDUSSCGKSA-N 1 3 228.380 1.829 20 0 BDADHO CC[NH+](CC)C[C@@H](O)CNC1(CC2CC2)CC1 ZINC001253214054 969114653 /nfs/dbraw/zinc/11/46/53/969114653.db2.gz NFNVDJXSOVDHGK-ZDUSSCGKSA-N 1 3 240.391 1.611 20 0 BDADHO CC[NH+]1CCC(CN2CC[C@H](F)C2)CC1 ZINC001208593133 969150134 /nfs/dbraw/zinc/15/01/34/969150134.db2.gz OBPIDKWRJHOLJF-LBPRGKRZSA-N 1 3 214.328 1.762 20 0 BDADHO CC[NH+]1CCC(CN2CCOC3(CC3)C2)CC1 ZINC001208602792 969155680 /nfs/dbraw/zinc/15/56/80/969155680.db2.gz NEHCOXGARVWLRW-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CC(C)(C)[NH2+]C[C@@H](O)CN[C@H]1CC[C@@H](F)C1 ZINC001253405590 969159485 /nfs/dbraw/zinc/15/94/85/969159485.db2.gz HXTUCPREPQNIQE-VWYCJHECSA-N 1 3 232.343 1.216 20 0 BDADHO C[C@H]1CCC[C@@H]([NH2+]C[C@H](O)CNC(C)(C)C)C1 ZINC001253405501 969160374 /nfs/dbraw/zinc/16/03/74/969160374.db2.gz DRZMDJDQNZXWKW-XQQFMLRXSA-N 1 3 242.407 1.904 20 0 BDADHO CC[NH+]1CCC(N2CCCO[C@@H](C)C2)CC1 ZINC001169246669 969536463 /nfs/dbraw/zinc/53/64/63/969536463.db2.gz UFSVQUCRBWJHHF-LBPRGKRZSA-N 1 3 226.364 1.582 20 0 BDADHO CN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C)CC2)C1 ZINC001254522586 969704427 /nfs/dbraw/zinc/70/44/27/969704427.db2.gz HLAMNBCSPUGKEG-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO CN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C)CC2)C1 ZINC001254522586 969704433 /nfs/dbraw/zinc/70/44/33/969704433.db2.gz HLAMNBCSPUGKEG-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO CCOC(=O)[C@H]1CCC[C@H](NC(C)(C)C[NH3+])C1 ZINC001255337112 970120806 /nfs/dbraw/zinc/12/08/06/970120806.db2.gz AEWPWFUJNRHGOT-QWRGUYRKSA-N 1 3 242.363 1.435 20 0 BDADHO [NH3+][C@@H]1CCN(C[C@@H]2CC3CCC2CC3)C1 ZINC000400134197 970555558 /nfs/dbraw/zinc/55/55/58/970555558.db2.gz WNNQSYDYQQUPCO-IFWUJCSASA-N 1 3 208.349 1.846 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC001255942065 970574899 /nfs/dbraw/zinc/57/48/99/970574899.db2.gz BTZLDEIDDZQBCT-AVGNSLFASA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H](C)CO ZINC001255942261 970574966 /nfs/dbraw/zinc/57/49/66/970574966.db2.gz DXKUVHUAXIYTJV-NEPJUHHUSA-N 1 3 216.369 1.325 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC001255951042 970580628 /nfs/dbraw/zinc/58/06/28/970580628.db2.gz MASLLZBCAIHTLO-AAEUAGOBSA-N 1 3 228.380 1.467 20 0 BDADHO CC[NH+](CC)CC[C@H](C)N[C@@H](CO)C1CC1 ZINC001255951042 970580636 /nfs/dbraw/zinc/58/06/36/970580636.db2.gz MASLLZBCAIHTLO-AAEUAGOBSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC001255946337 970583065 /nfs/dbraw/zinc/58/30/65/970583065.db2.gz SLLGWNDVBIVSOK-RWMBFGLXSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC001255954783 970589455 /nfs/dbraw/zinc/58/94/55/970589455.db2.gz HZIWPJQBRBHNGM-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CC[C@@H](C)[N@H+]1CCC[C@H](CO)C1 ZINC001255954783 970589467 /nfs/dbraw/zinc/58/94/67/970589467.db2.gz HZIWPJQBRBHNGM-KGLIPLIRSA-N 1 3 242.407 1.811 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)N1CCC[C@@H](O)CC1 ZINC001255956033 970598447 /nfs/dbraw/zinc/59/84/47/970598447.db2.gz GBFKHZTWRLHYJE-ZIAGYGMSSA-N 1 3 242.407 1.954 20 0 BDADHO C[NH+](C)[C@@H]1C[C@H](NCC2(O)CCC2)C1(C)C ZINC001335520785 977115351 /nfs/dbraw/zinc/11/53/51/977115351.db2.gz VMDVKARDINQISE-WDEREUQCSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(CC(C)(C)CO)C2 ZINC001277962531 979123577 /nfs/dbraw/zinc/12/35/77/979123577.db2.gz AQXPKRFCTLFNGD-AWEZNQCLSA-N 1 3 240.391 1.423 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(CC(C)(C)CO)C2 ZINC001277962531 979123584 /nfs/dbraw/zinc/12/35/84/979123584.db2.gz AQXPKRFCTLFNGD-AWEZNQCLSA-N 1 3 240.391 1.423 20 0 BDADHO C[C@@]1(CO)CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC001345159171 980569530 /nfs/dbraw/zinc/56/95/30/980569530.db2.gz CRRPWARGEOOJAP-ZIAGYGMSSA-N 1 3 240.391 1.471 20 0 BDADHO C[NH2+][C@@H](C)CCN[C@H](COC)C1CCCC1 ZINC001345482162 980618680 /nfs/dbraw/zinc/61/86/80/980618680.db2.gz KSPPGHHKVNMBKQ-WCQYABFASA-N 1 3 228.380 1.779 20 0 BDADHO Cc1nc2ccc(NCC[NH+](C)C)cc2[nH]1 ZINC000082597455 983103620 /nfs/dbraw/zinc/10/36/20/983103620.db2.gz IEURUDIXJMHVBW-UHFFFAOYSA-N 1 3 218.304 1.845 20 0 BDADHO CCCC[C@@H](O)C[NH2+]CCCN1CCCC1 ZINC001252078497 983307110 /nfs/dbraw/zinc/30/71/10/983307110.db2.gz SJURHQHLFNPSHE-CYBMUJFWSA-N 1 3 228.380 1.613 20 0 BDADHO CCCC[C@@H](O)CNCCC[NH+]1CCCC1 ZINC001252078497 983307117 /nfs/dbraw/zinc/30/71/17/983307117.db2.gz SJURHQHLFNPSHE-CYBMUJFWSA-N 1 3 228.380 1.613 20 0 BDADHO CC[N@H+]1C[C@H]2CN(CCCSC)C[C@H]2C1 ZINC001201698023 983413888 /nfs/dbraw/zinc/41/38/88/983413888.db2.gz VBFKJMHPTIRFDV-TXEJJXNPSA-N 1 3 228.405 1.623 20 0 BDADHO CC[N@@H+]1C[C@H]2CN(CCCSC)C[C@H]2C1 ZINC001201698023 983413891 /nfs/dbraw/zinc/41/38/91/983413891.db2.gz VBFKJMHPTIRFDV-TXEJJXNPSA-N 1 3 228.405 1.623 20 0 BDADHO CCN(C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001202528725 983869580 /nfs/dbraw/zinc/86/95/80/983869580.db2.gz FDFIXGLBZWVXCR-GFCCVEGCSA-N 1 3 226.364 1.439 20 0 BDADHO CCOCC[C@H](C)N1CCC(C)([NH3+])CC1 ZINC001172418906 974691126 /nfs/dbraw/zinc/69/11/26/974691126.db2.gz HQQBHYSMSLCWPO-NSHDSACASA-N 1 3 214.353 1.615 20 0 BDADHO Cc1cccnc1CN1CCC(F)(C[NH3+])CC1 ZINC001222532550 972551695 /nfs/dbraw/zinc/55/16/95/972551695.db2.gz NDHDYILIUJHPFB-UHFFFAOYSA-N 1 3 237.322 1.653 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](C)(O)C2)CCN1 ZINC001246548270 972681724 /nfs/dbraw/zinc/68/17/24/972681724.db2.gz JYPVBDCPYCPAND-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CCCC[C@@](C)(O)C2)CCN1 ZINC001246548270 972681730 /nfs/dbraw/zinc/68/17/30/972681730.db2.gz JYPVBDCPYCPAND-JHJVBQTASA-N 1 3 226.364 1.364 20 0 BDADHO C[N@H+]([C@@H]1CCOC1)C1CCN(C(C)(C)C)CC1 ZINC001256574158 970868019 /nfs/dbraw/zinc/86/80/19/970868019.db2.gz UZORNGPDDZTNMF-CYBMUJFWSA-N 1 3 240.391 1.970 20 0 BDADHO C[N@@H+]([C@@H]1CCOC1)C1CCN(C(C)(C)C)CC1 ZINC001256574158 970868023 /nfs/dbraw/zinc/86/80/23/970868023.db2.gz UZORNGPDDZTNMF-CYBMUJFWSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H](N)c1nccn1C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256612438 970879128 /nfs/dbraw/zinc/87/91/28/970879128.db2.gz GGHLZEQTCVLAKE-YIBTVLSRSA-N 1 3 234.347 1.701 20 0 BDADHO C[C@@H](N)c1nccn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256612438 970879129 /nfs/dbraw/zinc/87/91/29/970879129.db2.gz GGHLZEQTCVLAKE-YIBTVLSRSA-N 1 3 234.347 1.701 20 0 BDADHO CC[C@@H](C)CN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403216711 970892108 /nfs/dbraw/zinc/89/21/08/970892108.db2.gz GUHCHZMXIDPGAF-NXEZZACHSA-N 1 3 220.307 1.948 20 0 BDADHO C1[C@H]2CC[C@@H](N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C[C@@H]12 ZINC000403359925 970917515 /nfs/dbraw/zinc/91/75/15/970917515.db2.gz HIMGUIXIMFZBSA-MHUBZUKDSA-N 1 3 232.371 1.761 20 0 BDADHO C[C@H](Cc1ccncc1)[NH2+]C[C@@H](C)CN ZINC001256730958 970947295 /nfs/dbraw/zinc/94/72/95/970947295.db2.gz YPOVQHZYZVYUQV-WDEREUQCSA-N 1 3 207.321 1.197 20 0 BDADHO CC(C)[NH+]1CCC(N2CC[C@@H](O)[C@H](C)C2)CC1 ZINC001257214344 971128968 /nfs/dbraw/zinc/12/89/68/971128968.db2.gz BRYZUXBJYIHLOH-TZMCWYRMSA-N 1 3 240.391 1.562 20 0 BDADHO C[N@@H+]1CCC[C@H]1CO[C@H]1CN2CCC1CC2 ZINC001224817204 973991894 /nfs/dbraw/zinc/99/18/94/973991894.db2.gz JLRZCWWDCULSCZ-STQMWFEESA-N 1 3 224.348 1.191 20 0 BDADHO C[N@H+]1CCC[C@H]1CO[C@H]1CN2CCC1CC2 ZINC001224817204 973991910 /nfs/dbraw/zinc/99/19/10/973991910.db2.gz JLRZCWWDCULSCZ-STQMWFEESA-N 1 3 224.348 1.191 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCCc2ccco2)C12CCC2 ZINC000405259768 971222664 /nfs/dbraw/zinc/22/26/64/971222664.db2.gz IIIFNZMLTFNVLP-VXGBXAGGSA-N 1 3 220.316 1.682 20 0 BDADHO CO[C@@H]([C@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2)C1CC1 ZINC000405284907 971226951 /nfs/dbraw/zinc/22/69/51/971226951.db2.gz VMQFKVUBCGFIFF-BQUFFADESA-N 1 3 238.375 1.659 20 0 BDADHO CC(C)SCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405313016 971231234 /nfs/dbraw/zinc/23/12/34/971231234.db2.gz PULOIZGVCFUOBG-GHMZBOCLSA-N 1 3 228.405 1.988 20 0 BDADHO CC(C)SCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405313016 971231239 /nfs/dbraw/zinc/23/12/39/971231239.db2.gz PULOIZGVCFUOBG-GHMZBOCLSA-N 1 3 228.405 1.988 20 0 BDADHO CCC(CC)[C@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405368360 971240420 /nfs/dbraw/zinc/24/04/20/971240420.db2.gz XQZRBCIQSDMAEM-AGIUHOORSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)CCOCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405343689 971243075 /nfs/dbraw/zinc/24/30/75/971243075.db2.gz JPQVVFLNGSOHEP-CHWSQXEVSA-N 1 3 240.391 1.909 20 0 BDADHO CC(C)(C)C[C@H](O)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405348639 971243879 /nfs/dbraw/zinc/24/38/79/971243879.db2.gz MNIQCELYOZZYKI-SRVKXCTJSA-N 1 3 240.391 1.643 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405348639 971243887 /nfs/dbraw/zinc/24/38/87/971243887.db2.gz MNIQCELYOZZYKI-SRVKXCTJSA-N 1 3 240.391 1.643 20 0 BDADHO CSCC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000405395435 971247487 /nfs/dbraw/zinc/24/74/87/971247487.db2.gz IFUGMXRZGVKPSN-RKDXNWHRSA-N 1 3 200.351 1.209 20 0 BDADHO CSCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405395435 971247498 /nfs/dbraw/zinc/24/74/98/971247498.db2.gz IFUGMXRZGVKPSN-RKDXNWHRSA-N 1 3 200.351 1.209 20 0 BDADHO N[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)C12CCC2 ZINC000405451322 971258975 /nfs/dbraw/zinc/25/89/75/971258975.db2.gz GQUZGEBJLIPHQK-TUAOUCFPSA-N 1 3 224.348 1.007 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCN(C3CC3)C2)C12CCC2 ZINC000405483154 971265191 /nfs/dbraw/zinc/26/51/91/971265191.db2.gz NLNHPKNTGXLEIM-RAIGVLPGSA-N 1 3 235.375 1.083 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)C1 ZINC000405694492 971294357 /nfs/dbraw/zinc/29/43/57/971294357.db2.gz XPCINSWCSVVHGF-WUHRBBMRSA-N 1 3 226.364 1.341 20 0 BDADHO C[C@@H](CCO)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619495 974116472 /nfs/dbraw/zinc/11/64/72/974116472.db2.gz MTJWVRYBTMOHJW-NSHDSACASA-N 1 3 242.407 1.998 20 0 BDADHO C[C@@H](CN)C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783040 974174472 /nfs/dbraw/zinc/17/44/72/974174472.db2.gz IRWZGSMIHVUEMT-ONGXEEELSA-N 1 3 222.307 1.477 20 0 BDADHO C[C@H](CN)C[NH2+]C1CCC2(COC2)CC1 ZINC001257900638 971535412 /nfs/dbraw/zinc/53/54/12/971535412.db2.gz GVOBPJYXVRPAMK-SNVBAGLBSA-N 1 3 212.337 1.130 20 0 BDADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCCOCC1 ZINC001170792821 971831534 /nfs/dbraw/zinc/83/15/34/971831534.db2.gz TXSNANOTDBPMGD-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCCOCC1 ZINC001170792821 971831545 /nfs/dbraw/zinc/83/15/45/971831545.db2.gz TXSNANOTDBPMGD-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc2[nH]ccc2c1 ZINC001218807182 971943340 /nfs/dbraw/zinc/94/33/40/971943340.db2.gz PRPKVGIUCMFLHB-LLVKDONJSA-N 1 3 246.314 1.173 20 0 BDADHO Cc1c2cc[nH]c2ncc1N[C@H](N)CCC[NH3+] ZINC001170898590 972060086 /nfs/dbraw/zinc/06/00/86/972060086.db2.gz FLQVMSIFJLQAGR-NSHDSACASA-N 1 3 233.319 1.259 20 0 BDADHO CC(C)Oc1cc(N[C@@H](N)CCC[NH3+])ccn1 ZINC001170899009 972061009 /nfs/dbraw/zinc/06/10/09/972061009.db2.gz GOWWOURTEYURGL-LLVKDONJSA-N 1 3 238.335 1.304 20 0 BDADHO CC(C)Oc1ccc(N[C@H](N)CCC[NH3+])cc1 ZINC001170900558 972063629 /nfs/dbraw/zinc/06/36/29/972063629.db2.gz WBNKHKAWASAKRM-ZDUSSCGKSA-N 1 3 237.347 1.909 20 0 BDADHO CCSC[C@@H](C)NCC1([NH3+])CCCC1 ZINC001246075671 972130973 /nfs/dbraw/zinc/13/09/73/972130973.db2.gz MHICDIRUOQDTDJ-SNVBAGLBSA-N 1 3 216.394 1.989 20 0 BDADHO [NH3+]C1(CN[C@H]2CCSC2)CCCC1 ZINC001246077694 972132116 /nfs/dbraw/zinc/13/21/16/972132116.db2.gz XFSBRUUVEDAVDQ-VIFPVBQESA-N 1 3 200.351 1.353 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)C[C@@H]1C ZINC001246140157 972194527 /nfs/dbraw/zinc/19/45/27/972194527.db2.gz ZFZFCYXPTUHIIO-KLVXDSBYSA-N 1 3 238.375 1.388 20 0 BDADHO COCC(C)(C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246177271 972207817 /nfs/dbraw/zinc/20/78/17/972207817.db2.gz IBJSMGONHBTQRY-NXEZZACHSA-N 1 3 200.326 1.142 20 0 BDADHO COCC(C)(C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246177271 972207821 /nfs/dbraw/zinc/20/78/21/972207821.db2.gz IBJSMGONHBTQRY-NXEZZACHSA-N 1 3 200.326 1.142 20 0 BDADHO C[N@@H+]1CCC[C@H](CN2CCCOCC2)C1 ZINC001208603286 957083850 /nfs/dbraw/zinc/08/38/50/957083850.db2.gz ABFJGWFQJRWMJP-LBPRGKRZSA-N 1 3 212.337 1.051 20 0 BDADHO C[N@H+]1CCC[C@H](CN2CCCOCC2)C1 ZINC001208603286 957083863 /nfs/dbraw/zinc/08/38/63/957083863.db2.gz ABFJGWFQJRWMJP-LBPRGKRZSA-N 1 3 212.337 1.051 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]CCCc2cccnc2)CCN1 ZINC001246241609 972246110 /nfs/dbraw/zinc/24/61/10/972246110.db2.gz YPECKYMHGRHDCV-TZMCWYRMSA-N 1 3 233.359 1.744 20 0 BDADHO CC(C)C[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC001266362755 957371862 /nfs/dbraw/zinc/37/18/62/957371862.db2.gz SWWMRKUUCVMQJG-UHFFFAOYSA-N 1 3 243.395 1.031 20 0 BDADHO CC(C)C[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC001266362755 957371876 /nfs/dbraw/zinc/37/18/76/957371876.db2.gz SWWMRKUUCVMQJG-UHFFFAOYSA-N 1 3 243.395 1.031 20 0 BDADHO CCC[C@@H](CCO)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246358432 972302915 /nfs/dbraw/zinc/30/29/15/972302915.db2.gz FFSMSIJLNXZKOP-GRYCIOLGSA-N 1 3 214.353 1.268 20 0 BDADHO Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13CNC3)CC2 ZINC001246445469 972312951 /nfs/dbraw/zinc/31/29/51/972312951.db2.gz OHLLIHQZAFXKRY-LSDHHAIUSA-N 1 3 242.366 1.804 20 0 BDADHO C[C@@H]1CC[C@@H](N[C@@]2(C)CCCN(C)C2)C[NH2+]1 ZINC001246464690 972338607 /nfs/dbraw/zinc/33/86/07/972338607.db2.gz SNIAJACDFCIFSS-UPJWGTAASA-N 1 3 225.380 1.201 20 0 BDADHO C[C@@H]1C[C@@H](N2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033037 958489717 /nfs/dbraw/zinc/48/97/17/958489717.db2.gz MUZGLSWZSPBXGG-TUAOUCFPSA-N 1 3 212.337 1.095 20 0 BDADHO CN(C)Cc1ccc(-n2cccc2C[NH3+])nc1 ZINC001167585618 958965538 /nfs/dbraw/zinc/96/55/38/958965538.db2.gz DGQBOMGOHCQCSK-UHFFFAOYSA-N 1 3 230.315 1.393 20 0 BDADHO CCOCC[C@@H](C)[NH2+]CC[C@H]1CCCN1C ZINC001172409866 974671340 /nfs/dbraw/zinc/67/13/40/974671340.db2.gz ALKCRLYXKFYOHK-CHWSQXEVSA-N 1 3 228.380 1.875 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H](O)CC1CCCC1 ZINC000300029137 959813613 /nfs/dbraw/zinc/81/36/13/959813613.db2.gz LAHRMNJAYXJZCG-MRVWCRGKSA-N 1 3 240.391 1.739 20 0 BDADHO COCc1ccc(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000708829778 959860224 /nfs/dbraw/zinc/86/02/24/959860224.db2.gz GPFKWYCVHUJIME-SWLSCSKDSA-N 1 3 248.370 1.860 20 0 BDADHO C[C@H]1C[N@@H+](C2C[C@@H](C)O[C@H](C)C2)C[C@H]1CN ZINC000708876873 960011393 /nfs/dbraw/zinc/01/13/93/960011393.db2.gz YBFIBKKXXOYUNK-IRCOFANPSA-N 1 3 226.364 1.469 20 0 BDADHO C[C@H]1C[N@H+](C2C[C@@H](C)O[C@H](C)C2)C[C@H]1CN ZINC000708876873 960011408 /nfs/dbraw/zinc/01/14/08/960011408.db2.gz YBFIBKKXXOYUNK-IRCOFANPSA-N 1 3 226.364 1.469 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CCN1 ZINC000709329910 960515477 /nfs/dbraw/zinc/51/54/77/960515477.db2.gz JJHJJQYAOOMECO-SCZZXKLOSA-N 1 3 218.291 1.762 20 0 BDADHO C[C@H]1C[C@@H](NCCN2CCCCC2)CC[NH2+]1 ZINC000709376324 960535651 /nfs/dbraw/zinc/53/56/51/960535651.db2.gz PLXJOLCHFCRFPS-STQMWFEESA-N 1 3 225.380 1.202 20 0 BDADHO c1cncc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000709445194 960616327 /nfs/dbraw/zinc/61/63/27/960616327.db2.gz IMOLMDADIBBXBT-PBWFPOADSA-N 1 3 231.343 1.497 20 0 BDADHO Cc1cc(CN2CCC(C[NH+](C)C)CC2)n[nH]1 ZINC001203075798 960679168 /nfs/dbraw/zinc/67/91/68/960679168.db2.gz OYSIBTRRXWZCLU-UHFFFAOYSA-N 1 3 236.363 1.492 20 0 BDADHO C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104877 962209658 /nfs/dbraw/zinc/20/96/58/962209658.db2.gz CVNLSBBFGXEMPL-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@H]1C[C@H]([N@H+]2CCC3(C2)CCOCC3)CCN1 ZINC000383104877 962209688 /nfs/dbraw/zinc/20/96/88/962209688.db2.gz CVNLSBBFGXEMPL-QWHCGFSZSA-N 1 3 238.375 1.629 20 0 BDADHO N[C@@H]1CN(CCCCCC[NH3+])CCC1(F)F ZINC001206657030 963126419 /nfs/dbraw/zinc/12/64/19/963126419.db2.gz OGAQMZITPMFSMH-SNVBAGLBSA-N 1 3 235.322 1.174 20 0 BDADHO Cc1nc(N2CC[C@@H]([NH3+])C2)cc2[nH]ccc21 ZINC001156226225 963289817 /nfs/dbraw/zinc/28/98/17/963289817.db2.gz JDDJQXLUOVJRNT-SECBINFHSA-N 1 3 216.288 1.409 20 0 BDADHO Cc1nc(N2CC[C@H]([NH3+])C2)cc2[nH]ccc21 ZINC001156226230 963291085 /nfs/dbraw/zinc/29/10/85/963291085.db2.gz JDDJQXLUOVJRNT-VIFPVBQESA-N 1 3 216.288 1.409 20 0 BDADHO C[N@@H+]1CCC[C@H](CCNc2cccc(N)n2)C1 ZINC001156378498 963324722 /nfs/dbraw/zinc/32/47/22/963324722.db2.gz MMXAZTNASWQFHY-LLVKDONJSA-N 1 3 234.347 1.808 20 0 BDADHO C[N@H+]1CCC[C@H](CCNc2cccc(N)n2)C1 ZINC001156378498 963324733 /nfs/dbraw/zinc/32/47/33/963324733.db2.gz MMXAZTNASWQFHY-LLVKDONJSA-N 1 3 234.347 1.808 20 0 BDADHO CN(C)Cc1ccnc(NC2(C)CC[NH2+]CC2)c1 ZINC001157405192 963597627 /nfs/dbraw/zinc/59/76/27/963597627.db2.gz AXIGJYMOBFOVQC-UHFFFAOYSA-N 1 3 248.374 1.697 20 0 BDADHO Cc1cnc(N2CCC[C@H]([NH3+])[C@H]2C)cc1N ZINC001157742933 963713796 /nfs/dbraw/zinc/71/37/96/963713796.db2.gz GIRYPBOAYLHLOP-ZJUUUORDSA-N 1 3 220.320 1.288 20 0 BDADHO C[C@@H]1[C@H]([NH3+])CCCN1c1cc(CN(C)C)ccn1 ZINC001157746814 963716490 /nfs/dbraw/zinc/71/64/90/963716490.db2.gz NWDJMIGVZOGOCS-DGCLKSJQSA-N 1 3 248.374 1.459 20 0 BDADHO C[C@@H]1CN(c2cc(CN(C)C)ccn2)C[C@H](C)[NH2+]1 ZINC001158187334 963822453 /nfs/dbraw/zinc/82/24/53/963822453.db2.gz YVCPKUBPSLVDHU-TXEJJXNPSA-N 1 3 248.374 1.330 20 0 BDADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CCO1 ZINC001168135921 963831327 /nfs/dbraw/zinc/83/13/27/963831327.db2.gz HYKLVLUXKRKXJD-OLZOCXBDSA-N 1 3 238.375 1.582 20 0 BDADHO CN(C)Cc1ccc(NC2(C)CC[NH2+]CC2)nc1 ZINC001168183421 963938240 /nfs/dbraw/zinc/93/82/40/963938240.db2.gz GFFLUMAKPNCPNM-UHFFFAOYSA-N 1 3 248.374 1.697 20 0 BDADHO C[NH+](C)C1CCC(N2CCOCC2)CC1 ZINC001168314980 964426166 /nfs/dbraw/zinc/42/61/66/964426166.db2.gz JRORLUOSWMWFDB-UHFFFAOYSA-N 1 3 212.337 1.191 20 0 BDADHO C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCO1 ZINC001168356440 964512288 /nfs/dbraw/zinc/51/22/88/964512288.db2.gz RWCDXPHRHJBTQY-ZDUSSCGKSA-N 1 3 224.348 1.239 20 0 BDADHO C[C@@H](CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC000697910841 964677514 /nfs/dbraw/zinc/67/75/14/964677514.db2.gz VTNFMTNMFMPIKP-RVMXOQNASA-N 1 3 228.380 1.872 20 0 BDADHO NCc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC001162400284 964959555 /nfs/dbraw/zinc/95/95/55/964959555.db2.gz GUCRULBWQKKLEV-UWVGGRQHSA-N 1 3 220.320 1.222 20 0 BDADHO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccnc(CN)c1 ZINC001162468264 964989051 /nfs/dbraw/zinc/98/90/51/964989051.db2.gz WEPUYBXSDCXMQW-RYUDHWBXSA-N 1 3 248.374 1.588 20 0 BDADHO NCc1ccnn1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001162593230 965066103 /nfs/dbraw/zinc/06/61/03/965066103.db2.gz DHJYWRYUFZBWMG-AWEZNQCLSA-N 1 3 242.326 1.756 20 0 BDADHO Nc1ccnc2cc(-n3nccc3C[NH3+])ccc12 ZINC001162597870 965068331 /nfs/dbraw/zinc/06/83/31/965068331.db2.gz MBKFSOFGSXBJLL-UHFFFAOYSA-N 1 3 239.282 1.461 20 0 BDADHO CN(C)c1ccnc(NCC2([NH3+])CCC2)c1 ZINC001163321013 965332063 /nfs/dbraw/zinc/33/20/63/965332063.db2.gz IUVBHZPECFVBEY-UHFFFAOYSA-N 1 3 220.320 1.441 20 0 BDADHO CN(C)C1CN(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001163940805 965650106 /nfs/dbraw/zinc/65/01/06/965650106.db2.gz UTYOFMUYZVJICT-UHFFFAOYSA-N 1 3 246.358 1.432 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2cc[nH]c(=O)c2)CC1 ZINC001205094195 965725615 /nfs/dbraw/zinc/72/56/15/965725615.db2.gz KCAKEMNKSSQHKL-LLVKDONJSA-N 1 3 221.304 1.100 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2ccc[nH]c2=O)CC1 ZINC001205094975 965733556 /nfs/dbraw/zinc/73/35/56/965733556.db2.gz SFKPFQKDQKRBKE-LLVKDONJSA-N 1 3 221.304 1.100 20 0 BDADHO [NH3+][C@@H]1CCCN(Cc2cccc3c2CCO3)CC1 ZINC001205117803 965869584 /nfs/dbraw/zinc/86/95/84/965869584.db2.gz VUCQUUWADRUHEP-CYBMUJFWSA-N 1 3 246.354 1.935 20 0 BDADHO CC[C@@H]1COC[C@H]1[NH2+]C[C@@H](C)CN1CCCC1 ZINC000699542214 965953666 /nfs/dbraw/zinc/95/36/66/965953666.db2.gz KUTBNTSAZNBUOH-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO CC[C@@H]1COC[C@H]1NC[C@@H](C)C[NH+]1CCCC1 ZINC000699542214 965953675 /nfs/dbraw/zinc/95/36/75/965953675.db2.gz KUTBNTSAZNBUOH-MGPQQGTHSA-N 1 3 240.391 1.733 20 0 BDADHO Cc1nc(N2C[C@@H]3C[C@]3([NH3+])C2)cc2[nH]ccc21 ZINC001165316833 966049170 /nfs/dbraw/zinc/04/91/70/966049170.db2.gz QYRPQGRXMQYMIA-ZANVPECISA-N 1 3 228.299 1.409 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000699773183 966084604 /nfs/dbraw/zinc/08/46/04/966084604.db2.gz GBCAESTZWRYOFE-PCDDKUFXSA-N 1 3 232.327 1.756 20 0 BDADHO CC(C)C[NH+]1CCC(N[C@H]2COC[C@H]2C)CC1 ZINC000699804786 966096644 /nfs/dbraw/zinc/09/66/44/966096644.db2.gz IIMCICXDNASSMV-OCCSQVGLSA-N 1 3 240.391 1.731 20 0 BDADHO c1cnc(OC2CNC2)c(C2=CCC[NH2+]CC2)c1 ZINC001238944483 966798008 /nfs/dbraw/zinc/79/80/08/966798008.db2.gz AVMWZWAFXQABJN-UHFFFAOYSA-N 1 3 245.326 1.199 20 0 BDADHO C[C@H]1C[C@@H](NCC2SCCS2)CC[N@@H+]1C ZINC000692903989 966980195 /nfs/dbraw/zinc/98/01/95/966980195.db2.gz HKTWVIVLDSJLIG-UWVGGRQHSA-N 1 3 246.445 1.865 20 0 BDADHO C[C@H]1C[C@@H](NCC2SCCS2)CC[N@H+]1C ZINC000692903989 966980198 /nfs/dbraw/zinc/98/01/98/966980198.db2.gz HKTWVIVLDSJLIG-UWVGGRQHSA-N 1 3 246.445 1.865 20 0 BDADHO C[C@@H]1CCCN(C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204599387 967100316 /nfs/dbraw/zinc/10/03/16/967100316.db2.gz YYNFQSOYSRSFII-MNOVXSKESA-N 1 3 212.337 1.443 20 0 BDADHO [NH3+][C@H]1CCCN(Cc2ccc3c(c2)NCC3)CC1 ZINC001205124114 967372722 /nfs/dbraw/zinc/37/27/22/967372722.db2.gz KIMNKRHSYXLDGG-AWEZNQCLSA-N 1 3 245.370 1.968 20 0 BDADHO C[C@@H](CN1C[C@H](C)[C@H](C[NH3+])C1)C(F)(F)F ZINC001205130853 967376800 /nfs/dbraw/zinc/37/68/00/967376800.db2.gz MJOCPMIJZASZSG-XHNCKOQMSA-N 1 3 224.270 1.711 20 0 BDADHO Cc1cc(C)c(CN2C[C@H](C)[C@H](C[NH3+])C2)[nH]1 ZINC001205136271 967383929 /nfs/dbraw/zinc/38/39/29/967383929.db2.gz UBBRQRWEBHFUDY-CMPLNLGQSA-N 1 3 221.348 1.658 20 0 BDADHO C[C@H]1CN(Cc2c[nH]c3cccnc23)C[C@H]1C[NH3+] ZINC001205146112 967390490 /nfs/dbraw/zinc/39/04/90/967390490.db2.gz OSSMMRWPNPJZHE-WDEREUQCSA-N 1 3 244.342 1.590 20 0 BDADHO Cc1ncc(CN2CCC[C@](C)([NH3+])CC2)[nH]1 ZINC001205281286 967470404 /nfs/dbraw/zinc/47/04/04/967470404.db2.gz RODPIQBXPHPGBM-LBPRGKRZSA-N 1 3 222.336 1.421 20 0 BDADHO CS[C@@H](C)CCN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205057981 967860125 /nfs/dbraw/zinc/86/01/25/967860125.db2.gz BLXUNBKAPSEMFI-DCAQKATOSA-N 1 3 216.394 1.940 20 0 BDADHO Cc1nc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)co1 ZINC001205992548 967941507 /nfs/dbraw/zinc/94/15/07/967941507.db2.gz FFOMAJGNAAAODP-ZYHUDNBSSA-N 1 3 237.347 1.790 20 0 BDADHO C[C@H]1CN(Cc2nccn2C)CCC[C@H]1C[NH3+] ZINC001205996737 967951105 /nfs/dbraw/zinc/95/11/05/967951105.db2.gz XZVSMFPHAPTWGE-RYUDHWBXSA-N 1 3 236.363 1.227 20 0 BDADHO C[C@@H]1CN(Cc2ccon2)CCC[C@@H]1C[NH3+] ZINC001205996559 967952555 /nfs/dbraw/zinc/95/25/55/967952555.db2.gz XGPOYRVXVRELQI-GHMZBOCLSA-N 1 3 223.320 1.481 20 0 BDADHO C[C@@H]1CN(Cc2ncco2)CCC[C@H]1C[NH3+] ZINC001206003763 967960155 /nfs/dbraw/zinc/96/01/55/967960155.db2.gz MHWLPEXEWKKADE-MNOVXSKESA-N 1 3 223.320 1.481 20 0 BDADHO Cc1cnccc1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206165781 968103620 /nfs/dbraw/zinc/10/36/20/968103620.db2.gz OTWFLEBDWBFWTE-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO Cc1cnccc1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206165781 968103626 /nfs/dbraw/zinc/10/36/26/968103626.db2.gz OTWFLEBDWBFWTE-STQMWFEESA-N 1 3 237.322 1.651 20 0 BDADHO C[C@@H]1CNCC[N@H+](Cc2cccc3c2CCN3)C1 ZINC001206276039 968189837 /nfs/dbraw/zinc/18/98/37/968189837.db2.gz AUMYWBMCENNBFN-GFCCVEGCSA-N 1 3 245.370 1.696 20 0 BDADHO C[C@@H]1CNCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC001206276039 968189846 /nfs/dbraw/zinc/18/98/46/968189846.db2.gz AUMYWBMCENNBFN-GFCCVEGCSA-N 1 3 245.370 1.696 20 0 BDADHO Cc1ccc(CN2CCCC[C@H](C[NH3+])C2)[nH]1 ZINC001206616937 968420098 /nfs/dbraw/zinc/42/00/98/968420098.db2.gz URRPJHZMTKTKKU-GFCCVEGCSA-N 1 3 221.348 1.884 20 0 BDADHO CCN1C[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@H]2C1 ZINC001207012807 968548829 /nfs/dbraw/zinc/54/88/29/968548829.db2.gz ZAAVISJAPDTUAN-CHWSQXEVSA-N 1 3 247.342 1.171 20 0 BDADHO CCN1C[C@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207125764 968641681 /nfs/dbraw/zinc/64/16/81/968641681.db2.gz LQGWGHSSNUZISE-STQMWFEESA-N 1 3 247.342 1.171 20 0 BDADHO C[NH+]1CCC(CN2CCOC3(CC3)C2)CC1 ZINC001207401722 968749547 /nfs/dbraw/zinc/74/95/47/968749547.db2.gz SHIVTIBAHIDOHD-UHFFFAOYSA-N 1 3 224.348 1.193 20 0 BDADHO CN1CC=C(c2ccc(C[NH3+])nc2)CC1 ZINC001241321719 968974545 /nfs/dbraw/zinc/97/45/45/968974545.db2.gz BCHPSAXHZOXGQV-UHFFFAOYSA-N 1 3 203.289 1.259 20 0 BDADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1(C)CCCC1 ZINC001253385112 969148910 /nfs/dbraw/zinc/14/89/10/969148910.db2.gz UCHNWAPSXSEGCR-LBPRGKRZSA-N 1 3 242.407 1.905 20 0 BDADHO CCC1([NH2+]C[C@H](O)CNC(C)(C)C)CCC1 ZINC001253410630 969166888 /nfs/dbraw/zinc/16/68/88/969166888.db2.gz NTNJXRPQPNMZTG-LLVKDONJSA-N 1 3 228.380 1.658 20 0 BDADHO CCC1(NC[C@H](O)C[NH2+]C(C)(C)C)CCC1 ZINC001253410630 969166895 /nfs/dbraw/zinc/16/68/95/969166895.db2.gz NTNJXRPQPNMZTG-LLVKDONJSA-N 1 3 228.380 1.658 20 0 BDADHO C[N@@H+]1CCC[C@@H](CN2CC(N3CCCC3)C2)C1 ZINC001208609717 969169351 /nfs/dbraw/zinc/16/93/51/969169351.db2.gz WRPUBDFIYNSJSG-CYBMUJFWSA-N 1 3 237.391 1.108 20 0 BDADHO C[N@H+]1CCC[C@@H](CN2CC(N3CCCC3)C2)C1 ZINC001208609717 969169353 /nfs/dbraw/zinc/16/93/53/969169353.db2.gz WRPUBDFIYNSJSG-CYBMUJFWSA-N 1 3 237.391 1.108 20 0 BDADHO CCc1cc(NC2=CCN(C)CC2)cc[nH+]1 ZINC001208794619 969243969 /nfs/dbraw/zinc/24/39/69/969243969.db2.gz QPRBAGYMDFHHLW-UHFFFAOYSA-N 1 3 217.316 1.697 20 0 BDADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CCCN(C)C1)C2 ZINC001169095723 969384011 /nfs/dbraw/zinc/38/40/11/969384011.db2.gz SBEMULHCOIGAJT-XDQVBPFNSA-N 1 3 237.391 1.295 20 0 BDADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1cnccn1)C2 ZINC001169098926 969392977 /nfs/dbraw/zinc/39/29/77/969392977.db2.gz MMKWQFDWNSZAMB-BTTYYORXSA-N 1 3 246.358 1.234 20 0 BDADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1cnccn1)C2 ZINC001169098926 969392986 /nfs/dbraw/zinc/39/29/86/969392986.db2.gz MMKWQFDWNSZAMB-BTTYYORXSA-N 1 3 246.358 1.234 20 0 BDADHO COC[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169078357 969400587 /nfs/dbraw/zinc/40/05/87/969400587.db2.gz DKTIHLPDDWBLLX-WISYIIOYSA-N 1 3 212.337 1.236 20 0 BDADHO COC[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169078357 969400591 /nfs/dbraw/zinc/40/05/91/969400591.db2.gz DKTIHLPDDWBLLX-WISYIIOYSA-N 1 3 212.337 1.236 20 0 BDADHO COC(C)(C)CC[NH+]1CCC2(CN(C)C2)CC1 ZINC001209409859 969474852 /nfs/dbraw/zinc/47/48/52/969474852.db2.gz AMLSZAOOPBOZKH-UHFFFAOYSA-N 1 3 240.391 1.829 20 0 BDADHO CCN1CCC([N@H+](CC)CCCN(C)C)CC1 ZINC001169261713 969519298 /nfs/dbraw/zinc/51/92/98/969519298.db2.gz MJTFELRVSRRMMA-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO CCN1CCC([N@@H+](CC)CCCN(C)C)CC1 ZINC001169261713 969519306 /nfs/dbraw/zinc/51/93/06/969519306.db2.gz MJTFELRVSRRMMA-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO COC(=O)CC[N@H+](Cc1cnccc1N)C1CC1 ZINC001209732902 969594181 /nfs/dbraw/zinc/59/41/81/969594181.db2.gz NBASLBCMVUTPIK-UHFFFAOYSA-N 1 3 249.314 1.022 20 0 BDADHO COC(=O)CC[N@@H+](Cc1cnccc1N)C1CC1 ZINC001209732902 969594186 /nfs/dbraw/zinc/59/41/86/969594186.db2.gz NBASLBCMVUTPIK-UHFFFAOYSA-N 1 3 249.314 1.022 20 0 BDADHO [NH3+][C@@H]1CCN(C2CCc3ccccc3CC2)C1 ZINC001254450276 969643709 /nfs/dbraw/zinc/64/37/09/969643709.db2.gz LHEVSRNAXZEINH-CQSZACIVSA-N 1 3 230.355 1.967 20 0 BDADHO C[N@@H+]1CCC[C@H](NCCOc2ccncc2)CC1 ZINC001254515331 969691539 /nfs/dbraw/zinc/69/15/39/969691539.db2.gz WEYLHJWDHFQLBK-ZDUSSCGKSA-N 1 3 249.358 1.534 20 0 BDADHO C[N@H+]1CCC[C@H](NCCOc2ccncc2)CC1 ZINC001254515331 969691544 /nfs/dbraw/zinc/69/15/44/969691544.db2.gz WEYLHJWDHFQLBK-ZDUSSCGKSA-N 1 3 249.358 1.534 20 0 BDADHO CC(C)[N@H+](CCCN)[C@@H]1CCSC1 ZINC001255268468 970016524 /nfs/dbraw/zinc/01/65/24/970016524.db2.gz KJXUJPRSRUPLNK-SNVBAGLBSA-N 1 3 202.367 1.551 20 0 BDADHO CC(C)[N@@H+](CCCN)[C@@H]1CCSC1 ZINC001255268468 970016529 /nfs/dbraw/zinc/01/65/29/970016529.db2.gz KJXUJPRSRUPLNK-SNVBAGLBSA-N 1 3 202.367 1.551 20 0 BDADHO CCOC(=O)[C@@H]1CCC[C@@H](NC(C)(C)C[NH3+])C1 ZINC001255337110 970118442 /nfs/dbraw/zinc/11/84/42/970118442.db2.gz AEWPWFUJNRHGOT-GHMZBOCLSA-N 1 3 242.363 1.435 20 0 BDADHO C[C@@H](CN)C[N@H+](C)C1CCC2(CC1)OCCO2 ZINC001255617580 970402320 /nfs/dbraw/zinc/40/23/20/970402320.db2.gz OMJIEGYSIOKJGC-NSHDSACASA-N 1 3 242.363 1.199 20 0 BDADHO C[C@@H](CN)C[N@@H+](C)C1CCC2(CC1)OCCO2 ZINC001255617580 970402323 /nfs/dbraw/zinc/40/23/23/970402323.db2.gz OMJIEGYSIOKJGC-NSHDSACASA-N 1 3 242.363 1.199 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CC[C@@H](C)O ZINC001255950742 970564728 /nfs/dbraw/zinc/56/47/28/970564728.db2.gz KOSJEKZFTWJVBI-NWDGAFQWSA-N 1 3 216.369 1.467 20 0 BDADHO CC[NH+](CC)CC[C@@H](C)NCC1(O)CC1 ZINC001255941688 970568194 /nfs/dbraw/zinc/56/81/94/970568194.db2.gz XCGYQVARORYCFR-LLVKDONJSA-N 1 3 214.353 1.221 20 0 BDADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(O)CC1 ZINC001255941688 970568203 /nfs/dbraw/zinc/56/82/03/970568203.db2.gz XCGYQVARORYCFR-LLVKDONJSA-N 1 3 214.353 1.221 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCCCCO ZINC001255940465 970569211 /nfs/dbraw/zinc/56/92/11/970569211.db2.gz YSHNMOWCHSHHFL-ZDUSSCGKSA-N 1 3 230.396 1.859 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]C1CC(CO)C1 ZINC001255942066 970576487 /nfs/dbraw/zinc/57/64/87/970576487.db2.gz BTZLDEIDDZQBCT-HIFPTAJRSA-N 1 3 228.380 1.467 20 0 BDADHO CCN(CC)CC[C@H](C)[NH2+]CCC1COC1 ZINC001255945455 970576640 /nfs/dbraw/zinc/57/66/40/970576640.db2.gz GDDRGXGVKNDXAQ-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO C[NH+]1CCC(NCCOc2ccccn2)CC1 ZINC001256196258 970690683 /nfs/dbraw/zinc/69/06/83/970690683.db2.gz CWSCSWPWSXBCOT-UHFFFAOYSA-N 1 3 235.331 1.144 20 0 BDADHO C[NH+]1CCC(NCCOc2cccnc2)CC1 ZINC001256196708 970691651 /nfs/dbraw/zinc/69/16/51/970691651.db2.gz WDIUQXZLTINYJG-UHFFFAOYSA-N 1 3 235.331 1.144 20 0 BDADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000401868002 970744473 /nfs/dbraw/zinc/74/44/73/970744473.db2.gz AEFOSSZTUWHUGF-UPJWGTAASA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CO[C@H](C)C2)C1 ZINC000401868002 970744481 /nfs/dbraw/zinc/74/44/81/970744481.db2.gz AEFOSSZTUWHUGF-UPJWGTAASA-N 1 3 226.364 1.484 20 0 BDADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000401868002 970744488 /nfs/dbraw/zinc/74/44/88/970744488.db2.gz AEFOSSZTUWHUGF-UPJWGTAASA-N 1 3 226.364 1.484 20 0 BDADHO OCCC[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222596296 972596855 /nfs/dbraw/zinc/59/68/55/972596855.db2.gz UAYANOFKRFPYML-CQSZACIVSA-N 1 3 246.354 1.058 20 0 BDADHO OCCC[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222596296 972596862 /nfs/dbraw/zinc/59/68/62/972596862.db2.gz UAYANOFKRFPYML-CQSZACIVSA-N 1 3 246.354 1.058 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](C)(O)C2)CCN1 ZINC001246548268 972682472 /nfs/dbraw/zinc/68/24/72/972682472.db2.gz JYPVBDCPYCPAND-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](C)(O)C2)CCN1 ZINC001246548268 972682477 /nfs/dbraw/zinc/68/24/77/972682477.db2.gz JYPVBDCPYCPAND-AGIUHOORSA-N 1 3 226.364 1.364 20 0 BDADHO CO[C@H]1CCC[C@H](N2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001246637730 973053489 /nfs/dbraw/zinc/05/34/89/973053489.db2.gz JAMYRKQKNUTUBY-WUHRBBMRSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H]1C[C@H](N2CCN[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246947064 973651884 /nfs/dbraw/zinc/65/18/84/973651884.db2.gz TXGSZYRBVREYNM-QEJZJMRPSA-N 1 3 245.370 1.383 20 0 BDADHO C[C@H]1C[C@@H](N2CCN[C@H](c3ccccc3)C2)C[NH2+]1 ZINC001246947063 973653258 /nfs/dbraw/zinc/65/32/58/973653258.db2.gz TXGSZYRBVREYNM-CFVMTHIKSA-N 1 3 245.370 1.383 20 0 BDADHO C[C@@H](C[NH3+])CN[C@H]1Cc2cccc(F)c2C1 ZINC001171783040 974174463 /nfs/dbraw/zinc/17/44/63/974174463.db2.gz IRWZGSMIHVUEMT-ONGXEEELSA-N 1 3 222.307 1.477 20 0 BDADHO C[C@H](C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1)C(F)(F)F ZINC001206152768 974233100 /nfs/dbraw/zinc/23/31/00/974233100.db2.gz ARVNSVNSRHGJGT-HRDYMLBCSA-N 1 3 242.260 1.946 20 0 BDADHO C[C@H](C[N@H+]1CC[C@@H](N)[C@@H](F)CC1)C(F)(F)F ZINC001206152768 974233113 /nfs/dbraw/zinc/23/31/13/974233113.db2.gz ARVNSVNSRHGJGT-HRDYMLBCSA-N 1 3 242.260 1.946 20 0 BDADHO Cn1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cn1 ZINC001172099443 974339547 /nfs/dbraw/zinc/33/95/47/974339547.db2.gz HLWAKLYBNPZXDB-BTTYYORXSA-N 1 3 248.374 1.525 20 0 BDADHO NC1(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCC1 ZINC001330619766 974364904 /nfs/dbraw/zinc/36/49/04/974364904.db2.gz VKXZPUWPZSFYPK-NWDGAFQWSA-N 1 3 245.326 1.321 20 0 BDADHO CN(C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172113627 974378761 /nfs/dbraw/zinc/37/87/61/974378761.db2.gz LCMCLIWNBPCRAI-ITGUQSILSA-N 1 3 237.391 1.248 20 0 BDADHO CN(C)C1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172113627 974378773 /nfs/dbraw/zinc/37/87/73/974378773.db2.gz LCMCLIWNBPCRAI-ITGUQSILSA-N 1 3 237.391 1.248 20 0 BDADHO Cc1ccncc1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206173581 974902300 /nfs/dbraw/zinc/90/23/00/974902300.db2.gz IKGHEKKVVCVLSV-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ccncc1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206173581 974902308 /nfs/dbraw/zinc/90/23/08/974902308.db2.gz IKGHEKKVVCVLSV-CHWSQXEVSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ccncc1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206173582 974902999 /nfs/dbraw/zinc/90/29/99/974902999.db2.gz IKGHEKKVVCVLSV-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO Cc1ccncc1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206173582 974903001 /nfs/dbraw/zinc/90/30/01/974903001.db2.gz IKGHEKKVVCVLSV-OLZOCXBDSA-N 1 3 237.322 1.651 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173128145 975038861 /nfs/dbraw/zinc/03/88/61/975038861.db2.gz HJZBFCFFMUKCQE-DTWKUNHWSA-N 1 3 225.361 1.185 20 0 BDADHO CCSC[C@H](C)N1CCN(CCC[NH3+])CC1 ZINC001173291685 975268894 /nfs/dbraw/zinc/26/88/94/975268894.db2.gz PPEABBCBLAAOMJ-LBPRGKRZSA-N 1 3 245.436 1.094 20 0 BDADHO CCCN1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC001332980854 975354072 /nfs/dbraw/zinc/35/40/72/975354072.db2.gz IXTRMRDCJCYOFR-NEPJUHHUSA-N 1 3 241.379 1.057 20 0 BDADHO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC(N)C2)C1 ZINC001173638774 975493820 /nfs/dbraw/zinc/49/38/20/975493820.db2.gz ZQWBEQAESDNGLO-QTAHKJALSA-N 1 3 240.347 1.188 20 0 BDADHO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN)C1 ZINC001173649689 975515395 /nfs/dbraw/zinc/51/53/95/975515395.db2.gz HOVAHLVRTNLCFM-UTUOFQBUSA-N 1 3 242.363 1.293 20 0 BDADHO CC(=O)OC[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001335465602 977074405 /nfs/dbraw/zinc/07/44/05/977074405.db2.gz KJTXKLZABBCQBB-UMNHJUIQSA-N 1 3 228.336 1.010 20 0 BDADHO CC(=O)OC[C@H](C)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001335465602 977074408 /nfs/dbraw/zinc/07/44/08/977074408.db2.gz KJTXKLZABBCQBB-UMNHJUIQSA-N 1 3 228.336 1.010 20 0 BDADHO CO[C@@H](C)CNCC(C)(C)C[NH+]1CCCC1 ZINC001181426740 979085266 /nfs/dbraw/zinc/08/52/66/979085266.db2.gz COHFQUYKBGOWFC-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO CO[C@@H](C)C[NH2+]CC(C)(C)CN1CCCC1 ZINC001181426740 979085276 /nfs/dbraw/zinc/08/52/76/979085276.db2.gz COHFQUYKBGOWFC-LBPRGKRZSA-N 1 3 228.380 1.733 20 0 BDADHO COC(C)(C)[C@H]1CCCN1C[C@@H](C)[NH3+] ZINC001235827840 979153931 /nfs/dbraw/zinc/15/39/31/979153931.db2.gz RCPBRFOTBHPJSM-NXEZZACHSA-N 1 3 200.326 1.223 20 0 BDADHO N[C@]12CC[C@H]1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980489 979248435 /nfs/dbraw/zinc/24/84/35/979248435.db2.gz PRVNLFAJTBQILH-SRVKXCTJSA-N 1 3 208.305 1.102 20 0 BDADHO N[C@]12CC[C@H]1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC001235980489 979248450 /nfs/dbraw/zinc/24/84/50/979248450.db2.gz PRVNLFAJTBQILH-SRVKXCTJSA-N 1 3 208.305 1.102 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@H]3CC[C@@]3(N)C2)cc1 ZINC001235980596 979251557 /nfs/dbraw/zinc/25/15/57/979251557.db2.gz RDYMSRHPJFTMTP-UKRRQHHQSA-N 1 3 246.354 1.661 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@H]3CC[C@@]3(N)C2)cc1 ZINC001235980596 979251568 /nfs/dbraw/zinc/25/15/68/979251568.db2.gz RDYMSRHPJFTMTP-UKRRQHHQSA-N 1 3 246.354 1.661 20 0 BDADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457951 979265496 /nfs/dbraw/zinc/26/54/96/979265496.db2.gz VPPNACOKRJHPKT-ZOBORPQBSA-N 1 3 238.375 1.230 20 0 BDADHO CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001206457951 979265505 /nfs/dbraw/zinc/26/55/05/979265505.db2.gz VPPNACOKRJHPKT-ZOBORPQBSA-N 1 3 238.375 1.230 20 0 BDADHO [NH3+]CCCCN1CC2(C1)CC(F)(F)CS2 ZINC001235994749 979286913 /nfs/dbraw/zinc/28/69/13/979286913.db2.gz XBOWKADTPICZDJ-UHFFFAOYSA-N 1 3 236.331 1.552 20 0 BDADHO COc1cccc(CCC[N@@H+]2C[C@H]3C[C@@]3(N)C2)c1 ZINC001236017742 979305590 /nfs/dbraw/zinc/30/55/90/979305590.db2.gz SXEYVFFIIRCBFJ-UKRRQHHQSA-N 1 3 246.354 1.661 20 0 BDADHO COc1cccc(CCC[N@H+]2C[C@H]3C[C@@]3(N)C2)c1 ZINC001236017742 979305603 /nfs/dbraw/zinc/30/56/03/979305603.db2.gz SXEYVFFIIRCBFJ-UKRRQHHQSA-N 1 3 246.354 1.661 20 0 BDADHO CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206506835 979530648 /nfs/dbraw/zinc/53/06/48/979530648.db2.gz SDQXYULQSIYACY-IHRRRGAJSA-N 1 3 240.391 1.620 20 0 BDADHO CC(C)=CCC[C@H](C)C[N@H+]1C[C@H](O)[C@@H](CN)C1 ZINC001206506835 979530652 /nfs/dbraw/zinc/53/06/52/979530652.db2.gz SDQXYULQSIYACY-IHRRRGAJSA-N 1 3 240.391 1.620 20 0 BDADHO NCc1cccc(-c2cccc3c2CC[NH2+]C3)n1 ZINC001236342567 979541392 /nfs/dbraw/zinc/54/13/92/979541392.db2.gz BKGVWCDZDILAIY-UHFFFAOYSA-N 1 3 239.322 1.853 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC001341766311 979549990 /nfs/dbraw/zinc/54/99/90/979549990.db2.gz NOXHDGSLFHVKNN-QWRGUYRKSA-N 1 3 241.379 1.008 20 0 BDADHO Cc1nc(C)c(CN2CCC3(C[NH+](C)C3)CC2)o1 ZINC001236592511 979672827 /nfs/dbraw/zinc/67/28/27/979672827.db2.gz BTWAYDZYGBJZIU-UHFFFAOYSA-N 1 3 249.358 1.819 20 0 BDADHO O=C(CCC1C[NH2+]C1)Nc1cccc2c1CNC2 ZINC001342395975 979791516 /nfs/dbraw/zinc/79/15/16/979791516.db2.gz FBNRQUOIRAQUBK-UHFFFAOYSA-N 1 3 245.326 1.228 20 0 BDADHO C[C@@H](N)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001343011710 979976947 /nfs/dbraw/zinc/97/69/47/979976947.db2.gz LXBKUZCIQHHWSW-MRVPVSSYSA-N 1 3 221.304 1.166 20 0 BDADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001343714232 980215270 /nfs/dbraw/zinc/21/52/70/980215270.db2.gz LXXPKCSXDQMBNA-SRVKXCTJSA-N 1 3 241.379 1.101 20 0 BDADHO CC[C@H](C)C[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC001344056992 980328882 /nfs/dbraw/zinc/32/88/82/980328882.db2.gz BERAAWPZTFVZOX-TUAOUCFPSA-N 1 3 243.395 1.240 20 0 BDADHO c1cc(C2=CCC[NH2+]CC2)nc2c1CCNC2 ZINC001238936826 980373969 /nfs/dbraw/zinc/37/39/69/980373969.db2.gz OUMAJHXCOHUVNJ-UHFFFAOYSA-N 1 3 229.327 1.494 20 0 BDADHO CC1(C)[C@H]([NH2+]C[C@@H]2CCOC2)[C@@H]2CCCN[C@@H]21 ZINC001350954666 982134811 /nfs/dbraw/zinc/13/48/11/982134811.db2.gz DUOOWTDSXHDDNR-QNWHQSFQSA-N 1 3 238.375 1.389 20 0 BDADHO NC[C@@]12CC[C@@H]1CC[N@@H+]2CCOCC1CC1 ZINC001352777520 982573100 /nfs/dbraw/zinc/57/31/00/982573100.db2.gz GVIAQHWVIZPAPM-OLZOCXBDSA-N 1 3 224.348 1.226 20 0 BDADHO NC[C@@]12CC[C@@H]1CC[N@H+]2CCOCC1CC1 ZINC001352777520 982573106 /nfs/dbraw/zinc/57/31/06/982573106.db2.gz GVIAQHWVIZPAPM-OLZOCXBDSA-N 1 3 224.348 1.226 20 0 BDADHO C[C@@H]1COC[C@@H](C)C1[NH2+]CCCN1CCCC1 ZINC001354204314 983193882 /nfs/dbraw/zinc/19/38/82/983193882.db2.gz JAFUUMHSIFDSSI-CHWSQXEVSA-N 1 3 240.391 1.733 20 0 BDADHO CCCN(CCCC(=O)OC)CCC[NH+](C)C ZINC001202263123 983607013 /nfs/dbraw/zinc/60/70/13/983607013.db2.gz IAKPQGAIDWRRQF-UHFFFAOYSA-N 1 3 244.379 1.603 20 0 BDADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001357454411 983717868 /nfs/dbraw/zinc/71/78/68/983717868.db2.gz VJLNWFMMCDDQST-MFKMUULPSA-N 1 3 249.358 1.847 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001357484401 983730227 /nfs/dbraw/zinc/73/02/27/983730227.db2.gz FCAUSNMLUHIUDJ-AXFHLTTASA-N 1 3 241.379 1.007 20 0 BDADHO C([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@@H]1CCCCCN1 ZINC001574801598 984117811 /nfs/dbraw/zinc/11/78/11/984117811.db2.gz SHWFCJCQAAKQQF-VOAKCMCISA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H](N)C[NH2+]Cc1cccc2nsnc21 ZINC001576159746 984156999 /nfs/dbraw/zinc/15/69/99/984156999.db2.gz VVHDHCIMKQJVIG-SSDOTTSWSA-N 1 3 222.317 1.128 20 0 BDADHO CCC[C@@H](CCO)[NH2+]CC(C)(C)CN ZINC001577358161 984193151 /nfs/dbraw/zinc/19/31/51/984193151.db2.gz RVVYESONVSKWFT-JTQLQIEISA-N 1 3 202.342 1.112 20 0 BDADHO CCCN(CCC1C[NH2+]C1)[C@H](C)C(=O)OCC ZINC001577519244 984198610 /nfs/dbraw/zinc/19/86/10/984198610.db2.gz IVWBWCWUTCXDLD-LLVKDONJSA-N 1 3 242.363 1.260 20 0 BDADHO CCOC(=O)[C@@H](C)[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC001577908256 984201533 /nfs/dbraw/zinc/20/15/33/984201533.db2.gz DTTXFFXSSREBTE-SDDRHHMPSA-N 1 3 242.363 1.163 20 0 BDADHO CNC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654389 984219273 /nfs/dbraw/zinc/21/92/73/984219273.db2.gz OJNVNLDFPCWKMB-HUUCEWRRSA-N 1 3 248.370 1.794 20 0 BDADHO CNC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001578654389 984219282 /nfs/dbraw/zinc/21/92/82/984219282.db2.gz OJNVNLDFPCWKMB-HUUCEWRRSA-N 1 3 248.370 1.794 20 0 BDADHO CN1CCc2ccc(C3=CC[NH2+]C3)cc2C1 ZINC001243116091 984586658 /nfs/dbraw/zinc/58/66/58/984586658.db2.gz RFXUQGLQWJFXJD-UHFFFAOYSA-N 1 3 214.312 1.661 20 0 BDADHO O[C@@H](CNC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC001580884987 984617304 /nfs/dbraw/zinc/61/73/04/984617304.db2.gz YREZTMVMLNBMBE-HUUCEWRRSA-N 1 3 248.370 1.179 20 0 BDADHO CCN1CCC[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC001577770411 984785004 /nfs/dbraw/zinc/78/50/04/984785004.db2.gz HKRGHGVKRMLJMQ-JHJVBQTASA-N 1 3 225.380 1.330 20 0 BDADHO C[NH2+][C@@]12CC[C@@](NCc3cnc[nH]3)(C1)CCC2 ZINC001276202818 984827257 /nfs/dbraw/zinc/82/72/57/984827257.db2.gz DSDIFBUBYOGJRH-QWHCGFSZSA-N 1 3 234.347 1.564 20 0 BDADHO CCO[C@@H]1CCC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC001578098302 984848488 /nfs/dbraw/zinc/84/84/88/984848488.db2.gz WFGUPGIHSDILRJ-RWMBFGLXSA-N 1 3 226.364 1.676 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](N)CC)[C@]12CCCO2 ZINC001578148872 984855611 /nfs/dbraw/zinc/85/56/11/984855611.db2.gz MJPZOSONYWKOMF-WUHRBBMRSA-N 1 3 242.363 1.040 20 0 BDADHO CCO[C@@H]1CCCC[C@H]1NC[C@@H](C)[NH3+] ZINC001578148789 984856379 /nfs/dbraw/zinc/85/63/79/984856379.db2.gz JVFWOYRQZFMYBV-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)[C@H]1OC ZINC001578148617 984856420 /nfs/dbraw/zinc/85/64/20/984856420.db2.gz DMQFLCLGLOIWNP-KSSYENDESA-N 1 3 242.363 1.038 20 0 BDADHO CCn1cnc(CNC2CC3(CC([NH3+])C3)C2)c1 ZINC001578357262 984996183 /nfs/dbraw/zinc/99/61/83/984996183.db2.gz OYWBLKHTRBCJST-UHFFFAOYSA-N 1 3 234.347 1.263 20 0 BDADHO CCn1ccnc1[C@@H](C)NC1CC2(C[C@@H]2[NH3+])C1 ZINC001578357134 984998113 /nfs/dbraw/zinc/99/81/13/984998113.db2.gz NUVNGOCNXAJVGL-JJOYANBFSA-N 1 3 234.347 1.433 20 0 BDADHO C[N@H+](CC1(CN)CCC1)CC1(O)CCCC1 ZINC001578445208 985078102 /nfs/dbraw/zinc/07/81/02/985078102.db2.gz JSUXZQWINQBKSA-UHFFFAOYSA-N 1 3 226.364 1.352 20 0 BDADHO C[N@@H+](CC1(CN)CCC1)CC1(O)CCCC1 ZINC001578445208 985078112 /nfs/dbraw/zinc/07/81/12/985078112.db2.gz JSUXZQWINQBKSA-UHFFFAOYSA-N 1 3 226.364 1.352 20 0 BDADHO CN(CCCn1ccnc1)C[C@H]([NH3+])CC(F)F ZINC001578469055 985102071 /nfs/dbraw/zinc/10/20/71/985102071.db2.gz YKJXJQBTGYWVIY-SNVBAGLBSA-N 1 3 246.305 1.188 20 0 BDADHO C[N@H+](CCCn1ccnc1)C[C@H](N)CC(F)F ZINC001578469055 985102083 /nfs/dbraw/zinc/10/20/83/985102083.db2.gz YKJXJQBTGYWVIY-SNVBAGLBSA-N 1 3 246.305 1.188 20 0 BDADHO C[N@@H+](CCCn1ccnc1)C[C@H](N)CC(F)F ZINC001578469055 985102095 /nfs/dbraw/zinc/10/20/95/985102095.db2.gz YKJXJQBTGYWVIY-SNVBAGLBSA-N 1 3 246.305 1.188 20 0 BDADHO C[NH2+]C[C@H]1CCCN(CC[C@H](O)C(C)C)C1 ZINC001578656331 985272133 /nfs/dbraw/zinc/27/21/33/985272133.db2.gz IWBYACLFZIWTDK-OLZOCXBDSA-N 1 3 228.380 1.325 20 0 BDADHO CCOC(=O)CCC[C@H](C)[NH2+]C[C@H](C)CN ZINC001258113601 985420792 /nfs/dbraw/zinc/42/07/92/985420792.db2.gz WTFYIANTQHUOGH-MNOVXSKESA-N 1 3 230.352 1.293 20 0 BDADHO CO[C@H](CC(C)C)CN(C)CCC[NH3+] ZINC001578901241 985488258 /nfs/dbraw/zinc/48/82/58/985488258.db2.gz PZFLTHUCZYSIQA-LLVKDONJSA-N 1 3 202.342 1.328 20 0 BDADHO C[C@@H]1COC[C@@H]1[NH2+]CCCN1CCCC[C@@H]1C ZINC000688022588 985492842 /nfs/dbraw/zinc/49/28/42/985492842.db2.gz FIUQOVGXWBNFOW-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000688022588 985492876 /nfs/dbraw/zinc/49/28/76/985492876.db2.gz FIUQOVGXWBNFOW-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1COC[C@@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000688022588 985492905 /nfs/dbraw/zinc/49/29/05/985492905.db2.gz FIUQOVGXWBNFOW-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](O)[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001459524356 985518020 /nfs/dbraw/zinc/51/80/20/985518020.db2.gz CNLGMUNGMLZULD-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO COC1(CN[C@H]2C[C@H]([NH3+])C2)CCCCC1 ZINC001578928797 985533453 /nfs/dbraw/zinc/53/34/53/985533453.db2.gz BWDHGWJUCUSKOW-XYPYZODXSA-N 1 3 212.337 1.415 20 0 BDADHO COC[C@H](NC[C@@H]([NH3+])CC(F)F)C(C)C ZINC001578970601 985605738 /nfs/dbraw/zinc/60/57/38/985605738.db2.gz YFVYFJXVSFYIJV-IUCAKERBSA-N 1 3 224.295 1.230 20 0 BDADHO COCC[C@H]([NH3+])CN[C@@H]1C[C@@](C)(OC)C1(C)C ZINC001579001567 985656674 /nfs/dbraw/zinc/65/66/74/985656674.db2.gz JIPLAFKQQHZILB-DMDPSCGWSA-N 1 3 244.379 1.143 20 0 BDADHO CO[C@@]1(C)C[C@H]1N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC001579130310 985808675 /nfs/dbraw/zinc/80/86/75/985808675.db2.gz RQCORJKTNFTBSF-QCNOEVLYSA-N 1 3 212.337 1.142 20 0 BDADHO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](C)N ZINC001579132928 985809189 /nfs/dbraw/zinc/80/91/89/985809189.db2.gz IUJOCIRLPGACEQ-BIMULSAOSA-N 1 3 220.316 1.236 20 0 BDADHO COc1ccc(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC001579209111 985818829 /nfs/dbraw/zinc/81/88/29/985818829.db2.gz IPYAOWTWPQIIBG-VXGBXAGGSA-N 1 3 249.358 1.348 20 0 BDADHO C[C@H]1C[C@@H](O)CN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC001579496324 986025447 /nfs/dbraw/zinc/02/54/47/986025447.db2.gz RYKOVVDUKTUMCX-XQQFMLRXSA-N 1 3 226.364 1.079 20 0 BDADHO Cc1ncc(CNC2CC3(CC([NH3+])C3)C2)o1 ZINC001579878818 986293942 /nfs/dbraw/zinc/29/39/42/986293942.db2.gz YMEXXGXVGSTKGP-UHFFFAOYSA-N 1 3 221.304 1.343 20 0 BDADHO C[N@H+](CCCCN[C@@H]1CCn2ccnc21)C1CC1 ZINC001462312040 986347691 /nfs/dbraw/zinc/34/76/91/986347691.db2.gz VYSNFLJAFHUIFU-CYBMUJFWSA-N 1 3 248.374 1.792 20 0 BDADHO C[N@@H+](CCCCN[C@@H]1CCn2ccnc21)C1CC1 ZINC001462312040 986347699 /nfs/dbraw/zinc/34/76/99/986347699.db2.gz VYSNFLJAFHUIFU-CYBMUJFWSA-N 1 3 248.374 1.792 20 0 BDADHO Cn1cncc1C1CCN(CC2(C[NH3+])CC2)CC1 ZINC001579984830 986383335 /nfs/dbraw/zinc/38/33/35/986383335.db2.gz HZFQVNNZAIWZCS-UHFFFAOYSA-N 1 3 248.374 1.338 20 0 BDADHO C([NH2+]C[C@@H]1CN2CCC1CC2)[C@@H]1CCSC1 ZINC001462634073 986469187 /nfs/dbraw/zinc/46/91/87/986469187.db2.gz GWLIHICNOJGNPI-WCQYABFASA-N 1 3 240.416 1.671 20 0 BDADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163436 986638822 /nfs/dbraw/zinc/63/88/22/986638822.db2.gz AYOMFNWNVGDVMH-VSSNEEPJSA-N 1 3 222.332 1.166 20 0 BDADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)C12CCC2 ZINC001580163436 986638836 /nfs/dbraw/zinc/63/88/36/986638836.db2.gz AYOMFNWNVGDVMH-VSSNEEPJSA-N 1 3 222.332 1.166 20 0 BDADHO CN1CCC[C@@H]([N@@H+]2CC[C@H](F)C2)CC1 ZINC001254515861 986666901 /nfs/dbraw/zinc/66/69/01/986666901.db2.gz FJRFOTXMKSEJHV-WDEREUQCSA-N 1 3 200.301 1.515 20 0 BDADHO CN1CCC[C@@H]([N@H+]2CC[C@H](F)C2)CC1 ZINC001254515861 986666910 /nfs/dbraw/zinc/66/69/10/986666910.db2.gz FJRFOTXMKSEJHV-WDEREUQCSA-N 1 3 200.301 1.515 20 0 BDADHO [NH3+]C[C@H]1CCCC12CCN(Cc1cc[nH]n1)CC2 ZINC001580261172 986715161 /nfs/dbraw/zinc/71/51/61/986715161.db2.gz WVPDTMPODDQESI-GFCCVEGCSA-N 1 3 248.374 1.751 20 0 BDADHO N[C@H]1C[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC001580422814 986839691 /nfs/dbraw/zinc/83/96/91/986839691.db2.gz DYHVKPLDICUFMJ-OCAPTIKFSA-N 1 3 204.264 1.154 20 0 BDADHO [NH3+][C@H]1C[C@@H](NC2CC(CF)(CF)C2)C1 ZINC001580422814 986839696 /nfs/dbraw/zinc/83/96/96/986839696.db2.gz DYHVKPLDICUFMJ-OCAPTIKFSA-N 1 3 204.264 1.154 20 0 BDADHO C[N@@H+]1CCC[C@H](n2nc(CN)c3ccccc32)C1 ZINC001255469526 986974059 /nfs/dbraw/zinc/97/40/59/986974059.db2.gz CJNMEPQRPUJQLR-NSHDSACASA-N 1 3 244.342 1.762 20 0 BDADHO C[N@H+]1CCC[C@H](n2nc(CN)c3ccccc32)C1 ZINC001255469526 986974067 /nfs/dbraw/zinc/97/40/67/986974067.db2.gz CJNMEPQRPUJQLR-NSHDSACASA-N 1 3 244.342 1.762 20 0 BDADHO CC[C@@H](N)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001245999674 987285327 /nfs/dbraw/zinc/28/53/27/987285327.db2.gz BZEHMDDYAURORH-CHWSQXEVSA-N 1 3 222.332 1.221 20 0 BDADHO C[C@](O)(CN1CCC[C@@H]([NH3+])CC1)c1ccccc1 ZINC001246015832 987296305 /nfs/dbraw/zinc/29/63/05/987296305.db2.gz HQAVRWIYQPOWHL-CABCVRRESA-N 1 3 248.370 1.707 20 0 BDADHO CCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246045894 987341371 /nfs/dbraw/zinc/34/13/71/987341371.db2.gz LNULWJKFQLYCLQ-RWMBFGLXSA-N 1 3 226.364 1.351 20 0 BDADHO CCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001246045894 987341377 /nfs/dbraw/zinc/34/13/77/987341377.db2.gz LNULWJKFQLYCLQ-RWMBFGLXSA-N 1 3 226.364 1.351 20 0 BDADHO C[C@@H]1CCN(C[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000697036804 987346644 /nfs/dbraw/zinc/34/66/44/987346644.db2.gz MAPLQEMCPPZQHR-RDBSUJKOSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H](Cc1ccccn1)[NH2+]CC1(N)CCCC1 ZINC001246075593 987364862 /nfs/dbraw/zinc/36/48/62/987364862.db2.gz LCNLASGXYHFIEK-LBPRGKRZSA-N 1 3 233.359 1.874 20 0 BDADHO CC1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246080419 987371902 /nfs/dbraw/zinc/37/19/02/987371902.db2.gz GPFWJMPULAZSRJ-IFWUJCSASA-N 1 3 244.354 1.217 20 0 BDADHO CCC[C@@H](CC)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246085704 987387156 /nfs/dbraw/zinc/38/71/56/987387156.db2.gz YFSWQOLSXIVJMH-GRYCIOLGSA-N 1 3 232.343 1.217 20 0 BDADHO CC[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)C1 ZINC001246089385 987394100 /nfs/dbraw/zinc/39/41/00/987394100.db2.gz PNNUVZNVPPVEHU-MROQNXINSA-N 1 3 244.354 1.217 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](F)C2)CCN1 ZINC001246090740 987398582 /nfs/dbraw/zinc/39/85/82/987398582.db2.gz YQISGFPRSHYVQF-KKOKHZNYSA-N 1 3 214.328 1.997 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CCN1 ZINC001246095747 987406220 /nfs/dbraw/zinc/40/62/20/987406220.db2.gz RNXMAAPKBCVGHC-WISYIIOYSA-N 1 3 212.337 1.020 20 0 BDADHO C[C@@H]1CC[C@H](CNC2C[C@@H]3C=C[C@H](C2)O3)[NH2+]C1 ZINC001246107746 987437193 /nfs/dbraw/zinc/43/71/93/987437193.db2.gz UNTDHBSKJAVWDJ-DUJLVANISA-N 1 3 236.359 1.450 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1CN[C@@H]1CCCOC1 ZINC001246110939 987444988 /nfs/dbraw/zinc/44/49/88/987444988.db2.gz JSEQECNWIIVKAJ-IJLUTSLNSA-N 1 3 212.337 1.001 20 0 BDADHO COC(=O)CC[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1C ZINC001246117285 987457662 /nfs/dbraw/zinc/45/76/62/987457662.db2.gz YWSWLKPFDGGABV-SRVKXCTJSA-N 1 3 242.363 1.163 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+][C@H]2CNCC23CC3)C1 ZINC001246129754 987476996 /nfs/dbraw/zinc/47/69/96/987476996.db2.gz HVYKHKKGEDMLPD-WOPDTQHZSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CNCC23CC3)C1 ZINC001246129748 987478224 /nfs/dbraw/zinc/47/82/24/987478224.db2.gz HVYKHKKGEDMLPD-GRYCIOLGSA-N 1 3 208.349 1.907 20 0 BDADHO CCCC(CCC)N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001246133850 987487616 /nfs/dbraw/zinc/48/76/16/987487616.db2.gz KETHTLOCWAPNHI-JHJVBQTASA-N 1 3 226.364 1.532 20 0 BDADHO CCCC[C@@H](CC)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246147833 987502894 /nfs/dbraw/zinc/50/28/94/987502894.db2.gz KFACWCQGUZWIBY-RQJABVFESA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]1CC[C@@H](Nc2cccc(F)c2CN)C[NH2+]1 ZINC001246175438 987542741 /nfs/dbraw/zinc/54/27/41/987542741.db2.gz ZFWQODIUROUHGA-VHSXEESVSA-N 1 3 237.322 1.837 20 0 BDADHO c1ccn(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246175096 987543431 /nfs/dbraw/zinc/54/34/31/987543431.db2.gz SICUKCWGJPFXLU-FUNVUKJBSA-N 1 3 219.332 1.361 20 0 BDADHO c1cc(CCC[NH2+]C2CCNCC2)ccn1 ZINC001246176418 987545400 /nfs/dbraw/zinc/54/54/00/987545400.db2.gz QFDDECIVMABZGO-UHFFFAOYSA-N 1 3 219.332 1.356 20 0 BDADHO C1C[C@H]2CC[C@H]([NH2+]C3CCNCC3)[C@H]2C1 ZINC001246230980 987630345 /nfs/dbraw/zinc/63/03/45/987630345.db2.gz QEUKULKKAYBJHT-DRZSPHRISA-N 1 3 208.349 1.907 20 0 BDADHO COc1cc(CCN[C@H]2CC[NH2+][C@@H](C)C2)ccn1 ZINC001246241143 987641296 /nfs/dbraw/zinc/64/12/96/987641296.db2.gz QLTKOOSXJDPIBM-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO COc1cc(CC[NH2+][C@H]2CCN[C@@H](C)C2)ccn1 ZINC001246241143 987641299 /nfs/dbraw/zinc/64/12/99/987641299.db2.gz QLTKOOSXJDPIBM-AAEUAGOBSA-N 1 3 249.358 1.363 20 0 BDADHO C[C@@H](N)c1ccn([C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC001246251182 987647608 /nfs/dbraw/zinc/64/76/08/987647608.db2.gz YGWAHSNBBZUHMA-OPRDCNLKSA-N 1 3 208.309 1.216 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]C[Si](C)(C)C)CCN1 ZINC001246265525 987658005 /nfs/dbraw/zinc/65/80/05/987658005.db2.gz HULQKPPLNXKXTO-UWVGGRQHSA-N 1 3 200.402 1.594 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(CCF)CC2)CN1 ZINC001246273270 987666767 /nfs/dbraw/zinc/66/67/67/987666767.db2.gz PSRZEWJYEJQOPB-WCQYABFASA-N 1 3 243.370 1.150 20 0 BDADHO C[C@H]1CC[C@@H](NC2CCN(CCF)CC2)C[NH2+]1 ZINC001246273270 987666769 /nfs/dbraw/zinc/66/67/69/987666769.db2.gz PSRZEWJYEJQOPB-WCQYABFASA-N 1 3 243.370 1.150 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246310888 987712416 /nfs/dbraw/zinc/71/24/16/987712416.db2.gz OKVQYXWYCJDLFY-QCNOEVLYSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246310888 987712419 /nfs/dbraw/zinc/71/24/19/987712419.db2.gz OKVQYXWYCJDLFY-QCNOEVLYSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246310885 987712804 /nfs/dbraw/zinc/71/28/04/987712804.db2.gz OKVQYXWYCJDLFY-KKOKHZNYSA-N 1 3 240.347 1.058 20 0 BDADHO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246310885 987712811 /nfs/dbraw/zinc/71/28/11/987712811.db2.gz OKVQYXWYCJDLFY-KKOKHZNYSA-N 1 3 240.347 1.058 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H](C)Cc1ccncc1 ZINC001246312137 987716842 /nfs/dbraw/zinc/71/68/42/987716842.db2.gz GCQYYGVXCWHUAM-ZYHUDNBSSA-N 1 3 207.321 1.340 20 0 BDADHO N=C(N[C@@H]1CCC[NH2+]C1)c1cccnc1Cl ZINC001246322206 987727599 /nfs/dbraw/zinc/72/75/99/987727599.db2.gz GKNXFGAWTNDRJF-MRVPVSSYSA-N 1 3 238.722 1.402 20 0 BDADHO NCc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246325869 987731328 /nfs/dbraw/zinc/73/13/28/987731328.db2.gz KCORVTDUYWVVHT-HWYHXSKPSA-N 1 3 232.331 1.235 20 0 BDADHO C[C@H]1C[C@@H](Nc2ccc(CN)nc2)CC[NH2+]1 ZINC001246327057 987734309 /nfs/dbraw/zinc/73/43/09/987734309.db2.gz RANGECWUIRQMDC-UWVGGRQHSA-N 1 3 220.320 1.093 20 0 BDADHO OC1CCC(CCN[C@@H]2CCC[NH2+]C2)CC1 ZINC001246337897 987744519 /nfs/dbraw/zinc/74/45/19/987744519.db2.gz XHXMSJGIHBRDRV-OTTFEQOBSA-N 1 3 226.364 1.269 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CCC2CCC(O)CC2)CCN1 ZINC001246336604 987746544 /nfs/dbraw/zinc/74/65/44/987746544.db2.gz PRQUSJAVRUQCHJ-RJZJGCCBSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(N)c2)CCN1 ZINC001246347009 987757539 /nfs/dbraw/zinc/75/75/39/987757539.db2.gz FXILNZCSXHBTTG-DOMZBBRYSA-N 1 3 247.386 1.932 20 0 BDADHO CC[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CCO1 ZINC001246357776 987764920 /nfs/dbraw/zinc/76/49/20/987764920.db2.gz MDEAEKUMOUPLFY-IJLUTSLNSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H]1C[C@H]([NH2+]C(C)(C)C(C)(C)O)CCN1 ZINC001246391293 987780411 /nfs/dbraw/zinc/78/04/11/987780411.db2.gz SAMQUXQPLPPWJO-VHSXEESVSA-N 1 3 214.353 1.266 20 0 BDADHO C(C1CC1)C1([NH2+]C2CCNCC2)CCOCC1 ZINC001246409802 987786540 /nfs/dbraw/zinc/78/65/40/987786540.db2.gz HFTZUSGTQZHJNT-UHFFFAOYSA-N 1 3 238.375 1.677 20 0 BDADHO NC(=O)[C@@H](N)CCCC[NH2+]C1CCCCCC1 ZINC001246420074 987794075 /nfs/dbraw/zinc/79/40/75/987794075.db2.gz WFHQTKGITIEFLI-LBPRGKRZSA-N 1 3 241.379 1.282 20 0 BDADHO Fc1cccc2c1CC[C@H]([NH2+][C@@H]1CC13CNC3)C2 ZINC001246442190 987797633 /nfs/dbraw/zinc/79/76/33/987797633.db2.gz CHUIDAKVTGPRFA-SMDDNHRTSA-N 1 3 246.329 1.635 20 0 BDADHO CCC1(N[C@@H]2CC[C@H](C)[NH2+]C2)CCOCC1 ZINC001246442443 987797674 /nfs/dbraw/zinc/79/76/74/987797674.db2.gz SGKMPFVQGQLFJQ-NWDGAFQWSA-N 1 3 226.364 1.676 20 0 BDADHO CC1(C)CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246441902 987800797 /nfs/dbraw/zinc/80/07/97/987800797.db2.gz ARNGSGGEXKNFGB-LLVKDONJSA-N 1 3 208.349 1.907 20 0 BDADHO CC1(C)CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246441902 987800801 /nfs/dbraw/zinc/80/08/01/987800801.db2.gz ARNGSGGEXKNFGB-LLVKDONJSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CC23CNC3)C[C@H]1C ZINC001246446709 987806253 /nfs/dbraw/zinc/80/62/53/987806253.db2.gz TUYFHIMKKZHERY-WYUUTHIRSA-N 1 3 208.349 1.763 20 0 BDADHO C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)CCN1 ZINC001246454033 987810979 /nfs/dbraw/zinc/81/09/79/987810979.db2.gz BXLPBDGIAYMQSM-OBPIAQAESA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]1C[C@@H]([NH2+]CCc2cccc(N)c2)CCN1 ZINC001246465788 987825696 /nfs/dbraw/zinc/82/56/96/987825696.db2.gz LWKRNMVQCRFXIS-FZMZJTMJSA-N 1 3 233.359 1.541 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CNc3ccccc32)CC[NH2+]1 ZINC001246473963 987832415 /nfs/dbraw/zinc/83/24/15/987832415.db2.gz LVNSLLKIEGINQL-JHJVBQTASA-N 1 3 245.370 1.926 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNc3ccccc32)CCN1 ZINC001246473963 987832423 /nfs/dbraw/zinc/83/24/23/987832423.db2.gz LVNSLLKIEGINQL-JHJVBQTASA-N 1 3 245.370 1.926 20 0 BDADHO COc1ccc(C[C@@H](C)[NH2+]C2CCNCC2)cc1 ZINC001246477968 987833568 /nfs/dbraw/zinc/83/35/68/987833568.db2.gz LAGFCNYITCJYJU-GFCCVEGCSA-N 1 3 248.370 1.968 20 0 BDADHO CO[C@H]1CCC[C@@H](N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246498209 987852534 /nfs/dbraw/zinc/85/25/34/987852534.db2.gz GZCXZGAYQOGEGZ-NDBYEHHHSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@@]1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCOC1 ZINC001246508806 987861183 /nfs/dbraw/zinc/86/11/83/987861183.db2.gz DUJBCWINJWYRMF-ZGVCCVRISA-N 1 3 224.348 1.428 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@@H+]1CCCNCC1 ZINC001246522749 987871985 /nfs/dbraw/zinc/87/19/85/987871985.db2.gz GJOZGMJPTPENEY-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CCOC(=O)CCC[C@H](C)[N@H+]1CCCNCC1 ZINC001246522749 987871987 /nfs/dbraw/zinc/87/19/87/987871987.db2.gz GJOZGMJPTPENEY-LBPRGKRZSA-N 1 3 242.363 1.404 20 0 BDADHO CC[C@@H]1CC(N2C[C@@H](F)[C@@H](N)C2)C[C@@H](CC)[NH2+]1 ZINC001246527250 987881969 /nfs/dbraw/zinc/88/19/69/987881969.db2.gz SYSWMJVBUCOKQH-WFFHOREQSA-N 1 3 243.370 1.277 20 0 BDADHO CO[C@H]1CCC[C@H](N2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC001246541332 987911816 /nfs/dbraw/zinc/91/18/16/987911816.db2.gz GPSUYIVVVBSXFX-NOOOWODRSA-N 1 3 212.337 1.366 20 0 BDADHO CSCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542993 987912177 /nfs/dbraw/zinc/91/21/77/987912177.db2.gz QWVGDQBZCUZRCU-GARJFASQSA-N 1 3 216.394 1.655 20 0 BDADHO CSCC[C@H](C)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC001246542993 987912185 /nfs/dbraw/zinc/91/21/85/987912185.db2.gz QWVGDQBZCUZRCU-GARJFASQSA-N 1 3 216.394 1.655 20 0 BDADHO CC[C@H]1C[C@H]([N@@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC001246541475 987913736 /nfs/dbraw/zinc/91/37/36/987913736.db2.gz LSBPDULUYBABJV-LOWDOPEQSA-N 1 3 226.364 1.471 20 0 BDADHO CC[C@H]1C[C@H]([N@H+]2C[C@H](C)[C@H](CN)C2)CCO1 ZINC001246541475 987913740 /nfs/dbraw/zinc/91/37/40/987913740.db2.gz LSBPDULUYBABJV-LOWDOPEQSA-N 1 3 226.364 1.471 20 0 BDADHO CCO[C@@H]1C[C@@H](NCC[C@@H](C)[NH2+]C)C12CCC2 ZINC001118121216 988020254 /nfs/dbraw/zinc/02/02/54/988020254.db2.gz CBNSEXAHTMQRII-JHJVBQTASA-N 1 3 240.391 1.922 20 0 BDADHO CCCCC(CCCC)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246574638 988074167 /nfs/dbraw/zinc/07/41/67/988074167.db2.gz APUWKOWNOCRUBI-GXTWGEPZSA-N 1 3 242.407 1.987 20 0 BDADHO CCCCC(CCCC)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246574638 988074183 /nfs/dbraw/zinc/07/41/83/988074183.db2.gz APUWKOWNOCRUBI-GXTWGEPZSA-N 1 3 242.407 1.987 20 0 BDADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246580212 988110285 /nfs/dbraw/zinc/11/02/85/988110285.db2.gz LBKOUFCQXWAAIJ-NAWOPXAZSA-N 1 3 226.364 1.063 20 0 BDADHO C[C@@H]1CC[C@H]([N@H+]2C[C@@H](O)[C@@H](CN)C2)C[C@H]1C ZINC001246580212 988110291 /nfs/dbraw/zinc/11/02/91/988110291.db2.gz LBKOUFCQXWAAIJ-NAWOPXAZSA-N 1 3 226.364 1.063 20 0 BDADHO CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583031 988120247 /nfs/dbraw/zinc/12/02/47/988120247.db2.gz IJRSNOVVRGQGIN-ZOBORPQBSA-N 1 3 242.407 1.699 20 0 BDADHO CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246583031 988120255 /nfs/dbraw/zinc/12/02/55/988120255.db2.gz IJRSNOVVRGQGIN-ZOBORPQBSA-N 1 3 242.407 1.699 20 0 BDADHO CCCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246589194 988157579 /nfs/dbraw/zinc/15/75/79/988157579.db2.gz ZJIWXNJURGZAOU-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246589194 988157587 /nfs/dbraw/zinc/15/75/87/988157587.db2.gz ZJIWXNJURGZAOU-RWMBFGLXSA-N 1 3 228.380 1.597 20 0 BDADHO CCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588771 988159080 /nfs/dbraw/zinc/15/90/80/988159080.db2.gz XQTIKJSSXCLNDE-SDDRHHMPSA-N 1 3 214.353 1.207 20 0 BDADHO CCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CN)C1 ZINC001246588771 988159092 /nfs/dbraw/zinc/15/90/92/988159092.db2.gz XQTIKJSSXCLNDE-SDDRHHMPSA-N 1 3 214.353 1.207 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(O)[C@@H](C)C2)CCN1 ZINC001246590332 988164740 /nfs/dbraw/zinc/16/47/40/988164740.db2.gz SKCKKNFFUBYMSJ-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H]([N@H+]2CC[C@](C)(O)[C@@H](C)C2)CCN1 ZINC001246590332 988164745 /nfs/dbraw/zinc/16/47/45/988164745.db2.gz SKCKKNFFUBYMSJ-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@@H]1C[C@H](N2CC[C@](C)(O)[C@@H](C)C2)CC[NH2+]1 ZINC001246590332 988164748 /nfs/dbraw/zinc/16/47/48/988164748.db2.gz SKCKKNFFUBYMSJ-LOWDOPEQSA-N 1 3 226.364 1.220 20 0 BDADHO C1C[N@H+]([C@H]2CCCOCC2)[C@@]2(C1)CCCNC2 ZINC001246606323 988226000 /nfs/dbraw/zinc/22/60/00/988226000.db2.gz DSKHWVQDVGCRCY-UONOGXRCSA-N 1 3 238.375 1.774 20 0 BDADHO C1C[N@@H+]([C@H]2CCCOCC2)[C@@]2(C1)CCCNC2 ZINC001246606323 988226016 /nfs/dbraw/zinc/22/60/16/988226016.db2.gz DSKHWVQDVGCRCY-UONOGXRCSA-N 1 3 238.375 1.774 20 0 BDADHO CCC(CC)[N@@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246618455 988252176 /nfs/dbraw/zinc/25/21/76/988252176.db2.gz LEKBYORABAASMB-STQMWFEESA-N 1 3 225.380 1.201 20 0 BDADHO CCC(CC)[N@H+]1CCN[C@H]2CCNCC[C@@H]21 ZINC001246618455 988252199 /nfs/dbraw/zinc/25/21/99/988252199.db2.gz LEKBYORABAASMB-STQMWFEESA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC001495816827 988258017 /nfs/dbraw/zinc/25/80/17/988258017.db2.gz WFELWZWWZAHHBF-LBPRGKRZSA-N 1 3 243.395 1.077 20 0 BDADHO C[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCCO3)CC[NH2+]1 ZINC001246616253 988260782 /nfs/dbraw/zinc/26/07/82/988260782.db2.gz AKEKWACCMHHPTQ-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCCO3)CCN1 ZINC001246616253 988260798 /nfs/dbraw/zinc/26/07/98/988260798.db2.gz AKEKWACCMHHPTQ-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCCO3)CCN1 ZINC001246616253 988260816 /nfs/dbraw/zinc/26/08/16/988260816.db2.gz AKEKWACCMHHPTQ-RDBSUJKOSA-N 1 3 238.375 1.772 20 0 BDADHO CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)N(C)C ZINC001496213633 988289736 /nfs/dbraw/zinc/28/97/36/988289736.db2.gz QEDCCDOEHMEIQE-VXGBXAGGSA-N 1 3 243.395 1.173 20 0 BDADHO CC1(C)[C@@H]2C[C@H](N3CC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001246633220 988319629 /nfs/dbraw/zinc/31/96/29/988319629.db2.gz KTVRAWSLSRYGJP-FPYNETTCSA-N 1 3 220.360 1.857 20 0 BDADHO CCCC[C@H](C)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246645076 988355039 /nfs/dbraw/zinc/35/50/39/988355039.db2.gz SUDBVWPDLYQOBX-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO CCCC[C@@H]1C[C@H](N2C[C@@H](N)[C@@H](F)C2)CC[NH2+]1 ZINC001246820375 988508539 /nfs/dbraw/zinc/50/85/39/988508539.db2.gz NZQQLHGNIDZUOT-FVCCEPFGSA-N 1 3 243.370 1.278 20 0 BDADHO CC(C)[C@@H]1C[C@H](N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC001246832227 988526100 /nfs/dbraw/zinc/52/61/00/988526100.db2.gz AYFGMXLJZCGCGT-LPWJVIDDSA-N 1 3 243.370 1.134 20 0 BDADHO C[C@H]1C[C@H](N2CCC(n3ccnc3)CC2)CC[NH2+]1 ZINC001246847504 988567165 /nfs/dbraw/zinc/56/71/65/988567165.db2.gz SOLFSBKGYUZOPK-GXTWGEPZSA-N 1 3 248.374 1.661 20 0 BDADHO C[C@H]1C[C@H]([NH+]2CCC(n3ccnc3)CC2)CCN1 ZINC001246847504 988567178 /nfs/dbraw/zinc/56/71/78/988567178.db2.gz SOLFSBKGYUZOPK-GXTWGEPZSA-N 1 3 248.374 1.661 20 0 BDADHO CC(C)OCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246852653 988568272 /nfs/dbraw/zinc/56/82/72/988568272.db2.gz JIGNGHMGFMTYAX-AVGNSLFASA-N 1 3 226.364 1.613 20 0 BDADHO CC(C)OCC[C@H](C)[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001246852653 988568280 /nfs/dbraw/zinc/56/82/80/988568280.db2.gz JIGNGHMGFMTYAX-AVGNSLFASA-N 1 3 226.364 1.613 20 0 BDADHO N[C@]12CC[C@@H]1C[N@@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859879 988594229 /nfs/dbraw/zinc/59/42/29/988594229.db2.gz KYMIUEYJZAAFIM-RISCZKNCSA-N 1 3 235.375 1.036 20 0 BDADHO N[C@]12CC[C@@H]1C[N@H+](C1CCN(C3CC3)CC1)C2 ZINC001246859879 988594241 /nfs/dbraw/zinc/59/42/41/988594241.db2.gz KYMIUEYJZAAFIM-RISCZKNCSA-N 1 3 235.375 1.036 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCN[C@H](C)C1 ZINC001246875724 988643403 /nfs/dbraw/zinc/64/34/03/988643403.db2.gz LIWMOJBHNZBWTM-JABUTEAWSA-N 1 3 238.375 1.769 20 0 BDADHO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN[C@H](C)C1 ZINC001246875724 988643408 /nfs/dbraw/zinc/64/34/08/988643408.db2.gz LIWMOJBHNZBWTM-JABUTEAWSA-N 1 3 238.375 1.769 20 0 BDADHO C[C@H]1C[C@@H](N2CCC(C(N)=S)CC2)CC[NH2+]1 ZINC001246901144 988665964 /nfs/dbraw/zinc/66/59/64/988665964.db2.gz ZBLMNLMGZCPRMK-ONGXEEELSA-N 1 3 241.404 1.125 20 0 BDADHO C[C@H]1C[C@@H]([NH+]2CCC(C(N)=S)CC2)CCN1 ZINC001246901144 988665969 /nfs/dbraw/zinc/66/59/69/988665969.db2.gz ZBLMNLMGZCPRMK-ONGXEEELSA-N 1 3 241.404 1.125 20 0 BDADHO CCCC[C@@H]1C[C@@H](N2CCNC2)CC[NH2+]1 ZINC001246993517 988826618 /nfs/dbraw/zinc/82/66/18/988826618.db2.gz NVMSQSGGCVTCQM-NEPJUHHUSA-N 1 3 211.353 1.160 20 0 BDADHO CCN1CCN([C@H]2CC[C@@H](C)[NH2+]C2)C(C)(C)C1 ZINC001246996248 988828056 /nfs/dbraw/zinc/82/80/56/988828056.db2.gz WSHLPLDFTKJRBW-OLZOCXBDSA-N 1 3 239.407 1.543 20 0 BDADHO c1ccc([C@@H]2C[C@@H](N3CCNC3)CC[NH2+]2)cc1 ZINC001246994385 988829855 /nfs/dbraw/zinc/82/98/55/988829855.db2.gz PRBQBNPQOYJRKC-KBPBESRZSA-N 1 3 231.343 1.342 20 0 BDADHO CCN1CCN([C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC001246995259 988830253 /nfs/dbraw/zinc/83/02/53/988830253.db2.gz SNSVGWPSNXLGAU-LBPRGKRZSA-N 1 3 225.380 1.155 20 0 BDADHO C[NH+]1CCC2(CCCN2Cc2cnc[nH]2)CC1 ZINC001119447782 989081906 /nfs/dbraw/zinc/08/19/06/989081906.db2.gz AUNPGKSXEKVAMO-UHFFFAOYSA-N 1 3 234.347 1.470 20 0 BDADHO Cc1ccnc(N)c1CNCC1=CC[N@H+](C)CC1 ZINC001119510723 989115397 /nfs/dbraw/zinc/11/53/97/989115397.db2.gz ZCBWUNYDLMZOKD-UHFFFAOYSA-N 1 3 246.358 1.324 20 0 BDADHO Cc1ccnc(N)c1CNCC1=CC[N@@H+](C)CC1 ZINC001119510723 989115402 /nfs/dbraw/zinc/11/54/02/989115402.db2.gz ZCBWUNYDLMZOKD-UHFFFAOYSA-N 1 3 246.358 1.324 20 0 BDADHO CCN1C[C@@H](C)N(C[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001119693211 989342042 /nfs/dbraw/zinc/34/20/42/989342042.db2.gz WBGBXZNRAKJZEC-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO CCN1C[C@@H](C)N(C[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001119693211 989342045 /nfs/dbraw/zinc/34/20/45/989342045.db2.gz WBGBXZNRAKJZEC-MGPQQGTHSA-N 1 3 239.407 1.495 20 0 BDADHO C[NH2+][C@H](C)CCNC(=O)C[C@H](N)c1ccccc1 ZINC001326243442 989445477 /nfs/dbraw/zinc/44/54/77/989445477.db2.gz BDPVVXOWDAOKLI-YPMHNXCESA-N 1 3 249.358 1.191 20 0 BDADHO [NH3+]C1(CC(=O)Nc2cccc3c2CNC3)CCC1 ZINC001122136886 990255328 /nfs/dbraw/zinc/25/53/28/990255328.db2.gz GDEYWVZGXYGZAZ-UHFFFAOYSA-N 1 3 245.326 1.500 20 0 BDADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122392592 990369574 /nfs/dbraw/zinc/36/95/74/990369574.db2.gz WNIZHNFITKBVGO-NWDGAFQWSA-N 1 3 241.379 1.008 20 0 BDADHO CCn1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC001308450761 990997320 /nfs/dbraw/zinc/99/73/20/990997320.db2.gz QHJSMJZWSRCIIN-BJHJDKERSA-N 1 3 236.363 1.333 20 0 BDADHO CCC1(C[NH+]2CCC3(CN(C)C3)CC2)COC1 ZINC001202964727 991352493 /nfs/dbraw/zinc/35/24/93/991352493.db2.gz PUGFONHEWOYDQZ-UHFFFAOYSA-N 1 3 238.375 1.441 20 0 BDADHO CCOC(=O)CC[C@H](C)NC(C)(C)C[NH3+] ZINC001258472773 991440849 /nfs/dbraw/zinc/44/08/49/991440849.db2.gz HOBOBYZZCOGXPY-VIFPVBQESA-N 1 3 216.325 1.045 20 0 BDADHO CCC[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001567240887 991978538 /nfs/dbraw/zinc/97/85/38/991978538.db2.gz RFKLOWUOAHKHOA-LBPRGKRZSA-N 1 3 243.395 1.221 20 0 BDADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001261515286 992364944 /nfs/dbraw/zinc/36/49/44/992364944.db2.gz BORFXDWHWWVHNN-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001261515286 992364957 /nfs/dbraw/zinc/36/49/57/992364957.db2.gz BORFXDWHWWVHNN-MJBXVCDLSA-N 1 3 240.391 1.469 20 0 BDADHO CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001570653704 992494616 /nfs/dbraw/zinc/49/46/16/992494616.db2.gz VBNRUERVIHZCNL-NWDGAFQWSA-N 1 3 243.395 1.219 20 0 BDADHO C[C@@H]1CC[C@H]([NH2+]CCN)CN1Cc1ccccc1 ZINC001573640351 992663018 /nfs/dbraw/zinc/66/30/18/992663018.db2.gz HPWGUUNXUOPXPS-HIFRSBDPSA-N 1 3 247.386 1.588 20 0 BDADHO Oc1ccc2c(c1)CN(CC1CC[NH2+]CC1)C2 ZINC001574439605 992859630 /nfs/dbraw/zinc/85/96/30/992859630.db2.gz BICLNDRSLLERDJ-UHFFFAOYSA-N 1 3 232.327 1.707 20 0 BDADHO CC(C)(C)CC[C@H](N)C[NH2+]C1CSC1 ZINC001575130472 992993019 /nfs/dbraw/zinc/99/30/19/992993019.db2.gz NDWUOCRPHRRJOP-VIFPVBQESA-N 1 3 216.394 1.845 20 0 BDADHO CC(C)(C[NH2+]C[C@H]1CCN1)c1ccccc1 ZINC001575334517 993015399 /nfs/dbraw/zinc/01/53/99/993015399.db2.gz MAODBWJHWAYHSH-CYBMUJFWSA-N 1 3 218.344 1.916 20 0 BDADHO CC(C)([NH2+]CC12CC(C1)CN2)C1CCC1 ZINC001575377711 993026829 /nfs/dbraw/zinc/02/68/29/993026829.db2.gz DZEHPAGUPPZLHS-UHFFFAOYSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)(NCC12CC(C1)C[NH2+]2)C1CCC1 ZINC001575377711 993026835 /nfs/dbraw/zinc/02/68/35/993026835.db2.gz DZEHPAGUPPZLHS-UHFFFAOYSA-N 1 3 208.349 1.907 20 0 BDADHO CC(C)[C@@H](CN)C[NH2+]C[C@@H](CO)CC1CC1 ZINC001575422274 993040569 /nfs/dbraw/zinc/04/05/69/993040569.db2.gz GZLKZWSRQWWCCX-STQMWFEESA-N 1 3 228.380 1.216 20 0 BDADHO CC(C)CC[C@H](O)CN[C@H](C[NH3+])C1CC1 ZINC001575566271 993072794 /nfs/dbraw/zinc/07/27/94/993072794.db2.gz SLUZDJJWCRCUFL-NWDGAFQWSA-N 1 3 214.353 1.110 20 0 BDADHO CC(C)C1(C[NH+]2CCC(N)(CO)CC2)CC1 ZINC001575475112 993054384 /nfs/dbraw/zinc/05/43/84/993054384.db2.gz KJGMBIBSHSCNAY-UHFFFAOYSA-N 1 3 226.364 1.208 20 0 BDADHO CC(C)C[C@](C)(C[NH3+])C(=O)N(C)CCN(C)C ZINC001575522899 993062968 /nfs/dbraw/zinc/06/29/68/993062968.db2.gz QRGRDEDGWKBIPP-CYBMUJFWSA-N 1 3 243.395 1.018 20 0 BDADHO CC(C)CC1(C)CCN(C[C@@](C)(O)C[NH3+])CC1 ZINC001575550085 993069700 /nfs/dbraw/zinc/06/97/00/993069700.db2.gz YGVDHTFYZODDFM-AWEZNQCLSA-N 1 3 242.407 1.844 20 0 BDADHO CC(C)OC1CC(N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001575749635 993103335 /nfs/dbraw/zinc/10/33/35/993103335.db2.gz ICNSWRQAJQMUNJ-FIYWTHMPSA-N 1 3 226.364 1.802 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@H]1C[C@H](N)C1 ZINC001575940937 993132737 /nfs/dbraw/zinc/13/27/37/993132737.db2.gz FDXIXJHOGIYPBB-YUSALJHKSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H](CC1CCOCC1)[NH2+][C@H]1C[C@@H](N)C1 ZINC001575940938 993134376 /nfs/dbraw/zinc/13/43/76/993134376.db2.gz FDXIXJHOGIYPBB-ZMLRMANQSA-N 1 3 212.337 1.271 20 0 BDADHO CCC1([NH3+])CCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC001263182817 993152808 /nfs/dbraw/zinc/15/28/08/993152808.db2.gz ZKDRBRLGXVTAJF-LLVKDONJSA-N 1 3 241.379 1.090 20 0 BDADHO COC(C)(C)CC[N@@H+]1CCC[C@H](N)CC1 ZINC000378675955 993197852 /nfs/dbraw/zinc/19/78/52/993197852.db2.gz PCFGRGFAEHVXGW-NSHDSACASA-N 1 3 214.353 1.615 20 0 BDADHO COC(C)(C)CC[N@H+]1CCC[C@H](N)CC1 ZINC000378675955 993197854 /nfs/dbraw/zinc/19/78/54/993197854.db2.gz PCFGRGFAEHVXGW-NSHDSACASA-N 1 3 214.353 1.615 20 0 BDADHO C[C@@](O)(CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)C(F)F ZINC001576257629 993237000 /nfs/dbraw/zinc/23/70/00/993237000.db2.gz DTCUIFVHDSIEHA-WCQGTBRESA-N 1 3 248.317 1.063 20 0 BDADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@@H]1CCCNC1 ZINC001576273411 993252899 /nfs/dbraw/zinc/25/28/99/993252899.db2.gz VCQZCABLUQSLFG-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@@H](O)C[C@H]1CCC[N@H+]1C[C@@H]1CCCNC1 ZINC001576273411 993252904 /nfs/dbraw/zinc/25/29/04/993252904.db2.gz VCQZCABLUQSLFG-JHJVBQTASA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)(C)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000379747989 993273344 /nfs/dbraw/zinc/27/33/44/993273344.db2.gz AXIUVLNFDGMYNT-JTQLQIEISA-N 1 3 249.349 1.385 20 0 BDADHO CC1(C)[C@H](NC[C@H](O)Cc2ccccc2)C[C@@H]1[NH3+] ZINC001576380521 993286057 /nfs/dbraw/zinc/28/60/57/993286057.db2.gz TWUWCNWXICBORD-HZSPNIEDSA-N 1 3 248.370 1.305 20 0 BDADHO CC1(C)CC[C@H](CNCC[C@H]2CCOC2)[NH2+]C1 ZINC001576421956 993300905 /nfs/dbraw/zinc/30/09/05/993300905.db2.gz SNLLOHOYILQDMN-QWHCGFSZSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@]1(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC[NH2+]C1 ZINC001576525578 993331342 /nfs/dbraw/zinc/33/13/42/993331342.db2.gz GWMHAHQAUYALQK-QUGYJXMDSA-N 1 3 236.359 1.142 20 0 BDADHO C[C@]1(NCCC[NH2+]C2CC2)CCO[C@H]1C1CC1 ZINC001576545530 993336720 /nfs/dbraw/zinc/33/67/20/993336720.db2.gz NNDSSCFCROUGJL-KBPBESRZSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@]1([NH2+]CCCNC2CC2)CCO[C@H]1C1CC1 ZINC001576545530 993336727 /nfs/dbraw/zinc/33/67/27/993336727.db2.gz NNDSSCFCROUGJL-KBPBESRZSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@@H+]1CCCC[C@H](CN)C1 ZINC000380684770 993341061 /nfs/dbraw/zinc/34/10/61/993341061.db2.gz HFWVMXWZQLDURQ-NEPJUHHUSA-N 1 3 228.380 1.454 20 0 BDADHO CC(C)(C)[C@@H](O)C[N@H+]1CCCC[C@H](CN)C1 ZINC000380684770 993341065 /nfs/dbraw/zinc/34/10/65/993341065.db2.gz HFWVMXWZQLDURQ-NEPJUHHUSA-N 1 3 228.380 1.454 20 0 BDADHO CC[C@](C)(O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001576959320 993468515 /nfs/dbraw/zinc/46/85/15/993468515.db2.gz FFHIQPYUUVOWPX-STQMWFEESA-N 1 3 226.364 1.223 20 0 BDADHO CC[C@H](C)[C@@H](CN[C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973664 993476946 /nfs/dbraw/zinc/47/69/46/993476946.db2.gz YGSQWFXBDMAIDF-UKKRHICBSA-N 1 3 200.326 1.127 20 0 BDADHO CC[C@H](C)[C@H](CN[C@H]1C[C@@H]([NH3+])C1)OC ZINC001576973663 993477144 /nfs/dbraw/zinc/47/71/44/993477144.db2.gz YGSQWFXBDMAIDF-MMWGEVLESA-N 1 3 200.326 1.127 20 0 BDADHO CC[C@@H]1CN(CC)CCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC001577280094 993577647 /nfs/dbraw/zinc/57/76/47/993577647.db2.gz XLAZKSMKCORCGZ-HZSPNIEDSA-N 1 3 239.407 1.258 20 0 BDADHO CCC[C@@H](CN1C[C@H]2C[NH2+]C[C@@]2(C)C1)OC ZINC001577358208 993615742 /nfs/dbraw/zinc/61/57/42/993615742.db2.gz UCWKXNLGJVWQGL-AGIUHOORSA-N 1 3 226.364 1.343 20 0 BDADHO CCCSC[C@H](C)NCC1([NH3+])CCC1 ZINC001577597144 993689688 /nfs/dbraw/zinc/68/96/88/993689688.db2.gz SIJYPJUUPYXMDV-JTQLQIEISA-N 1 3 216.394 1.989 20 0 BDADHO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCN(C)CC2)C1 ZINC000389315888 993742966 /nfs/dbraw/zinc/74/29/66/993742966.db2.gz GPGNUTHYGYRUCU-KGLIPLIRSA-N 1 3 239.407 1.543 20 0 BDADHO CCO[C@@H]1CCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000701663921 993903086 /nfs/dbraw/zinc/90/30/86/993903086.db2.gz TZTHLPHQCPNWLT-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000701663921 993903097 /nfs/dbraw/zinc/90/30/97/993903097.db2.gz TZTHLPHQCPNWLT-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO CCO[C@@H]1CC[N@H+]([C@H]2CCN[C@H](C)C2)C1 ZINC000701663921 993903104 /nfs/dbraw/zinc/90/31/04/993903104.db2.gz TZTHLPHQCPNWLT-GRYCIOLGSA-N 1 3 212.337 1.238 20 0 BDADHO CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001265956406 993992485 /nfs/dbraw/zinc/99/24/85/993992485.db2.gz LVAVMWLLTZFFRO-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001265956406 993992503 /nfs/dbraw/zinc/99/25/03/993992503.db2.gz LVAVMWLLTZFFRO-LBPRGKRZSA-N 1 3 243.395 1.031 20 0 BDADHO CC[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001492424656 995052821 /nfs/dbraw/zinc/05/28/21/995052821.db2.gz SAEOYWJKAVALOE-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO CC[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001492424656 995052833 /nfs/dbraw/zinc/05/28/33/995052833.db2.gz SAEOYWJKAVALOE-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300976297 349486687 /nfs/dbraw/zinc/48/66/87/349486687.db2.gz HQSIIRQEPNCFOX-KXNHARMFSA-N 1 3 212.337 1.271 20 0 BDADHO CCC(CC)(CCO)C[NH2+]C1CCNCC1 ZINC000415088267 398157134 /nfs/dbraw/zinc/15/71/34/398157134.db2.gz WAWZSZBJOWUPKX-UHFFFAOYSA-N 1 3 228.380 1.517 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCc1ccccc1 ZINC000122371604 398178396 /nfs/dbraw/zinc/17/83/96/398178396.db2.gz RVXGLJDHMBPUSE-TZMCWYRMSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCc1ccccc1 ZINC000122371604 398178398 /nfs/dbraw/zinc/17/83/98/398178398.db2.gz RVXGLJDHMBPUSE-TZMCWYRMSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1ccccc1 ZINC000122371604 398178400 /nfs/dbraw/zinc/17/84/00/398178400.db2.gz RVXGLJDHMBPUSE-TZMCWYRMSA-N 1 3 218.344 1.898 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCc1ccccc1O ZINC000422976875 398161255 /nfs/dbraw/zinc/16/12/55/398161255.db2.gz VTBVDZKFBHYOLJ-GHMZBOCLSA-N 1 3 222.332 1.650 20 0 BDADHO COCC1CCC([NH2+][C@@H](C)[C@H]2CCCN2)CC1 ZINC000423174718 398163963 /nfs/dbraw/zinc/16/39/63/398163963.db2.gz COGSEAOSONJHTO-GFJIZPEISA-N 1 3 240.391 1.922 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3cn[nH]c3)C[C@H]21 ZINC000379746318 398164096 /nfs/dbraw/zinc/16/40/96/398164096.db2.gz BWXGSPNMMFCIMZ-YNEHKIRRSA-N 1 3 234.347 1.011 20 0 BDADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccccn1 ZINC000423174551 398164670 /nfs/dbraw/zinc/16/46/70/398164670.db2.gz BAGSFUTTWQZVOE-ZDUSSCGKSA-N 1 3 248.374 1.028 20 0 BDADHO C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C1CNC1 ZINC000647800522 398206178 /nfs/dbraw/zinc/20/61/78/398206178.db2.gz DTPXBQISVBQRLM-NJZAAPMLSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@H](NC[C@H]1C[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000647800522 398206181 /nfs/dbraw/zinc/20/61/81/398206181.db2.gz DTPXBQISVBQRLM-NJZAAPMLSA-N 1 3 230.355 1.988 20 0 BDADHO Cc1cc(C)n(CCN[C@@](C)(C[NH3+])C(C)C)n1 ZINC000649410681 398209025 /nfs/dbraw/zinc/20/90/25/398209025.db2.gz MVFPWGRDBTWPIM-ZDUSSCGKSA-N 1 3 238.379 1.463 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000647803969 398214647 /nfs/dbraw/zinc/21/46/47/398214647.db2.gz GGOCRYXUECNZOK-QEYWKRMJSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCS[C@@H]1C ZINC000647803969 398214654 /nfs/dbraw/zinc/21/46/54/398214654.db2.gz GGOCRYXUECNZOK-QEYWKRMJSA-N 1 3 202.367 1.596 20 0 BDADHO C[C@H]([NH3+])CN1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000649413850 398211963 /nfs/dbraw/zinc/21/19/63/398211963.db2.gz MWSCNIXEZNRQCS-DZGCQCFKSA-N 1 3 247.386 1.540 20 0 BDADHO CC[C@@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000576450961 365598383 /nfs/dbraw/zinc/59/83/83/365598383.db2.gz KVQNRECUZOGDIA-OLZOCXBDSA-N 1 3 249.358 1.320 20 0 BDADHO COC[C@@H](C)CN(C)CC(C)(C)C[NH3+] ZINC000163548884 538929190 /nfs/dbraw/zinc/92/91/90/538929190.db2.gz PTSRMFSCLXFFMS-JTQLQIEISA-N 1 3 202.342 1.186 20 0 BDADHO CCC(CC)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336687636 168352333 /nfs/dbraw/zinc/35/23/33/168352333.db2.gz FPKAYKOOYAIRKJ-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO CCC(CC)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000336687636 168352336 /nfs/dbraw/zinc/35/23/36/168352336.db2.gz FPKAYKOOYAIRKJ-CQSZACIVSA-N 1 3 239.407 1.402 20 0 BDADHO C[C@@H]1C[C@H]([N@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539049 538939623 /nfs/dbraw/zinc/93/96/23/538939623.db2.gz KBXISIOZTSHBLY-DGCLKSJQSA-N 1 3 225.380 1.153 20 0 BDADHO C[C@@H]1C[C@H]([N@@H+](C)C2CCN(C)CC2)CCN1 ZINC000229539049 538939624 /nfs/dbraw/zinc/93/96/24/538939624.db2.gz KBXISIOZTSHBLY-DGCLKSJQSA-N 1 3 225.380 1.153 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1N[C@H](CO)Cc1ccccc1 ZINC000089150661 259308110 /nfs/dbraw/zinc/30/81/10/259308110.db2.gz AFJDUXITULVNIY-ILXRZTDVSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+][C@H](CO)Cc1ccccc1 ZINC000089150661 259308111 /nfs/dbraw/zinc/30/81/11/259308111.db2.gz AFJDUXITULVNIY-ILXRZTDVSA-N 1 3 248.370 1.307 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000576634736 365643378 /nfs/dbraw/zinc/64/33/78/365643378.db2.gz FKIRRCOYGFFNNO-GWCFXTLKSA-N 1 3 241.379 1.090 20 0 BDADHO CC[C@@H](COC)NCCC[N@H+](C)C(C)C ZINC000166568403 361852851 /nfs/dbraw/zinc/85/28/51/361852851.db2.gz XZQRQOCCKRYUSJ-LBPRGKRZSA-N 1 3 216.369 1.731 20 0 BDADHO CC[C@@H](COC)NCCC[N@@H+](C)C(C)C ZINC000166568403 361852854 /nfs/dbraw/zinc/85/28/54/361852854.db2.gz XZQRQOCCKRYUSJ-LBPRGKRZSA-N 1 3 216.369 1.731 20 0 BDADHO CC[C@@H](COC)[NH2+]CCCN(C)C(C)C ZINC000166568403 361852857 /nfs/dbraw/zinc/85/28/57/361852857.db2.gz XZQRQOCCKRYUSJ-LBPRGKRZSA-N 1 3 216.369 1.731 20 0 BDADHO CC1(C)CN(CCC2CC[NH2+]CC2)CCO1 ZINC000036232624 342793024 /nfs/dbraw/zinc/79/30/24/342793024.db2.gz SENCJQCIGZLSGM-UHFFFAOYSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]1CC[C@@H](N(C)C2CCN(C)CC2)C[NH2+]1 ZINC000062948527 539017346 /nfs/dbraw/zinc/01/73/46/539017346.db2.gz VPNJDDBMHHSZJO-WCQYABFASA-N 1 3 225.380 1.153 20 0 BDADHO CCO[C@@H](C[NH+]1CCC(N(C)C)CC1)C1CC1 ZINC000625081401 342850219 /nfs/dbraw/zinc/85/02/19/342850219.db2.gz OOZWYUQXJMAVDJ-AWEZNQCLSA-N 1 3 240.391 1.828 20 0 BDADHO CC(C)(C)C[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300230571 259326975 /nfs/dbraw/zinc/32/69/75/259326975.db2.gz BIBQEOWUDDCYOX-SRVKXCTJSA-N 1 3 228.380 1.643 20 0 BDADHO CCN1CCC[C@@H]1CN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386046901 342905356 /nfs/dbraw/zinc/90/53/56/342905356.db2.gz UOBKQQRAOVDZPV-MCIONIFRSA-N 1 3 239.407 1.591 20 0 BDADHO COCC(C)(C)CN1CCC(C)([NH3+])CC1 ZINC000381290101 398339949 /nfs/dbraw/zinc/33/99/49/398339949.db2.gz CTJKKJQEAYXPAB-UHFFFAOYSA-N 1 3 214.353 1.472 20 0 BDADHO C1C[NH2+][C@H]([C@H]2CCC[C@@H]2N[C@@H]2CCCOC2)C1 ZINC000093453299 259333767 /nfs/dbraw/zinc/33/37/67/259333767.db2.gz VLLHPIXBQIXUPB-MQYQWHSLSA-N 1 3 238.375 1.676 20 0 BDADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391716 488191278 /nfs/dbraw/zinc/19/12/78/488191278.db2.gz DZSRNBWSOUUJKA-NSHDSACASA-N 1 3 236.363 1.935 20 0 BDADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ncc[nH]1 ZINC000453391716 488191281 /nfs/dbraw/zinc/19/12/81/488191281.db2.gz DZSRNBWSOUUJKA-NSHDSACASA-N 1 3 236.363 1.935 20 0 BDADHO CO[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@@H]1C ZINC000261534202 536729604 /nfs/dbraw/zinc/72/96/04/536729604.db2.gz ORDVUJSXEXLFQQ-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@H]2CCCNC2)CC[C@@H]1C ZINC000261534202 536729610 /nfs/dbraw/zinc/72/96/10/536729610.db2.gz ORDVUJSXEXLFQQ-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CC[C@@H]1C ZINC000261534202 536729612 /nfs/dbraw/zinc/72/96/12/536729612.db2.gz ORDVUJSXEXLFQQ-RWMBFGLXSA-N 1 3 226.364 1.343 20 0 BDADHO Cc1cccc(CN[C@@H](C)CCC[NH3+])n1 ZINC000308802699 259340710 /nfs/dbraw/zinc/34/07/10/259340710.db2.gz FFASYELYNNHTQU-JTQLQIEISA-N 1 3 207.321 1.607 20 0 BDADHO C[C@@H](NCC1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386372884 343051793 /nfs/dbraw/zinc/05/17/93/343051793.db2.gz BOUWEMJSCVRNHN-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO CN(CCC[NH3+])Cc1ccc(-n2ccnc2)cc1 ZINC000123313177 343161989 /nfs/dbraw/zinc/16/19/89/343161989.db2.gz FEWSVANWSSGWEL-UHFFFAOYSA-N 1 3 244.342 1.653 20 0 BDADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CN(C)C)cc1 ZINC000134103751 343186853 /nfs/dbraw/zinc/18/68/53/343186853.db2.gz YATOEEPIQUNSSZ-QWRGUYRKSA-N 1 3 249.358 1.670 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@](C)(C[NH3+])C2CC2)O1 ZINC000634687775 343241797 /nfs/dbraw/zinc/24/17/97/343241797.db2.gz YZFCCBWUDDOQJU-JLLWLGSASA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCC[C@H]2[NH3+])O1 ZINC000634688020 343245300 /nfs/dbraw/zinc/24/53/00/343245300.db2.gz FUZKZHXYPDVOSE-DDHJBXDOSA-N 1 3 212.337 1.413 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCN[C@H](C)[C@H]1C ZINC000348755681 136297729 /nfs/dbraw/zinc/29/77/29/136297729.db2.gz ILQJQDDWBBUYAJ-VXGBXAGGSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCN[C@H](C)[C@H]1C ZINC000348755681 136297730 /nfs/dbraw/zinc/29/77/30/136297730.db2.gz ILQJQDDWBBUYAJ-VXGBXAGGSA-N 1 3 236.363 1.264 20 0 BDADHO Cc1nccn1CCCN1CCCC[C@H]1C[NH3+] ZINC000348756165 136297828 /nfs/dbraw/zinc/29/78/28/136297828.db2.gz MNURTQLQIDZOKE-ZDUSSCGKSA-N 1 3 236.363 1.395 20 0 BDADHO Cc1nccn1CCC[N@@H+]1CCCC[C@H]1CN ZINC000348756165 136297829 /nfs/dbraw/zinc/29/78/29/136297829.db2.gz MNURTQLQIDZOKE-ZDUSSCGKSA-N 1 3 236.363 1.395 20 0 BDADHO Cc1nccn1CCC[N@H+]1CCCC[C@H]1CN ZINC000348756165 136297830 /nfs/dbraw/zinc/29/78/30/136297830.db2.gz MNURTQLQIDZOKE-ZDUSSCGKSA-N 1 3 236.363 1.395 20 0 BDADHO C[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+](C)C ZINC000038089266 343370473 /nfs/dbraw/zinc/37/04/73/343370473.db2.gz INPSIGVZKBUJBA-WCQYABFASA-N 1 3 249.358 1.143 20 0 BDADHO Cc1c[nH]nc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335635196 136300884 /nfs/dbraw/zinc/30/08/84/136300884.db2.gz QXEHSDVTOTWGAU-QWHCGFSZSA-N 1 3 248.374 1.540 20 0 BDADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)N(C)C ZINC000349147379 136325660 /nfs/dbraw/zinc/32/56/60/136325660.db2.gz XMTPYTLGZOJBCW-NWDGAFQWSA-N 1 3 243.395 1.029 20 0 BDADHO Cc1ccc(CCCN2CC[C@@H]([NH3+])[C@H](C)C2)cn1 ZINC000339411217 178528117 /nfs/dbraw/zinc/52/81/17/178528117.db2.gz VYFLHTYLEAVAAC-IUODEOHRSA-N 1 3 247.386 1.992 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN)C12CCC2 ZINC000083684779 343496122 /nfs/dbraw/zinc/49/61/22/343496122.db2.gz PCTQLCSVPWRHAL-GHMZBOCLSA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@@H]1C[C@@H](NCCC[NH3+])C12CCC2 ZINC000083684779 343496123 /nfs/dbraw/zinc/49/61/23/343496123.db2.gz PCTQLCSVPWRHAL-GHMZBOCLSA-N 1 3 212.337 1.273 20 0 BDADHO CCO[C@H]1C[C@@H](NCC[NH3+])C12CCCC2 ZINC000082945699 343472867 /nfs/dbraw/zinc/47/28/67/343472867.db2.gz QKUBZEFABWBVEL-MNOVXSKESA-N 1 3 212.337 1.273 20 0 BDADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C)C[NH3+] ZINC000262022674 178545042 /nfs/dbraw/zinc/54/50/42/178545042.db2.gz AOJALJOQXZBHEM-NSHDSACASA-N 1 3 249.358 1.590 20 0 BDADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2C[C@H]2C)C1 ZINC000309055978 346956831 /nfs/dbraw/zinc/95/68/31/346956831.db2.gz UKDGXTOYUHEIKS-UPJWGTAASA-N 1 3 210.365 1.964 20 0 BDADHO CCC(C)(C)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380182597 343688876 /nfs/dbraw/zinc/68/88/76/343688876.db2.gz GIKXCWZHNDMXRY-VXGBXAGGSA-N 1 3 210.365 1.964 20 0 BDADHO CCO[C@@H]1C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000576187633 343722433 /nfs/dbraw/zinc/72/24/33/343722433.db2.gz AARRYUZOEBRRAL-ZIAGYGMSSA-N 1 3 238.375 1.628 20 0 BDADHO CC[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000130560292 344148129 /nfs/dbraw/zinc/14/81/29/344148129.db2.gz PLMADMFFPHWGDA-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000130560292 344148130 /nfs/dbraw/zinc/14/81/30/344148130.db2.gz PLMADMFFPHWGDA-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCc2ccncc2)C1 ZINC000086403265 344216959 /nfs/dbraw/zinc/21/69/59/344216959.db2.gz FASHEOPOSCJVCF-QWHCGFSZSA-N 1 3 219.332 1.484 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000086403265 344216962 /nfs/dbraw/zinc/21/69/62/344216962.db2.gz FASHEOPOSCJVCF-QWHCGFSZSA-N 1 3 219.332 1.484 20 0 BDADHO CCN1CCC([NH2+][C@H](C)CN(C)C)CC1 ZINC000130196022 344219066 /nfs/dbraw/zinc/21/90/66/344219066.db2.gz CNFTVEHUUTXACF-LLVKDONJSA-N 1 3 213.369 1.010 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](C)[C@H](C)OC ZINC000131853891 344237273 /nfs/dbraw/zinc/23/72/73/344237273.db2.gz OFTNDFBXWVMHHY-RYUDHWBXSA-N 1 3 216.369 1.731 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](C)[C@H](C)OC ZINC000131853891 344237276 /nfs/dbraw/zinc/23/72/76/344237276.db2.gz OFTNDFBXWVMHHY-RYUDHWBXSA-N 1 3 216.369 1.731 20 0 BDADHO Cc1n[nH]cc1CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000093215725 344312316 /nfs/dbraw/zinc/31/23/16/344312316.db2.gz PMHQSYSVHCCGRZ-STQMWFEESA-N 1 3 236.363 1.510 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCCCn2ccnc2)C1 ZINC000093215677 344312338 /nfs/dbraw/zinc/31/23/38/344312338.db2.gz QPHJBRLOVFUCGT-QWHCGFSZSA-N 1 3 236.363 1.523 20 0 BDADHO COC(=O)CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000600700824 344360001 /nfs/dbraw/zinc/36/00/01/344360001.db2.gz FICUQDFAXZWNPZ-VXGBXAGGSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000600700824 344360002 /nfs/dbraw/zinc/36/00/02/344360002.db2.gz FICUQDFAXZWNPZ-VXGBXAGGSA-N 1 3 242.363 1.531 20 0 BDADHO COC(=O)CCCCN1CCC(C)([NH3+])CC1 ZINC000600709236 344360914 /nfs/dbraw/zinc/36/09/14/344360914.db2.gz GVABREFNTIKCOD-UHFFFAOYSA-N 1 3 228.336 1.143 20 0 BDADHO COC(=O)CCCC[N@@H+]1CCCC[C@H]1CCN ZINC000600712244 344361655 /nfs/dbraw/zinc/36/16/55/344361655.db2.gz VGWQDZVQJLVPTH-LBPRGKRZSA-N 1 3 242.363 1.533 20 0 BDADHO COC(=O)CCCC[N@H+]1CCCC[C@H]1CCN ZINC000600712244 344361657 /nfs/dbraw/zinc/36/16/57/344361657.db2.gz VGWQDZVQJLVPTH-LBPRGKRZSA-N 1 3 242.363 1.533 20 0 BDADHO COC(=O)CCCCN1CCCC[C@H]1CC[NH3+] ZINC000600712244 344361659 /nfs/dbraw/zinc/36/16/59/344361659.db2.gz VGWQDZVQJLVPTH-LBPRGKRZSA-N 1 3 242.363 1.533 20 0 BDADHO COC(=O)CCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000600712512 344361843 /nfs/dbraw/zinc/36/18/43/344361843.db2.gz XSYCTHCLANPDNO-QWRGUYRKSA-N 1 3 228.336 1.141 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000577280543 344490444 /nfs/dbraw/zinc/49/04/44/344490444.db2.gz WSPSVUIGRHHHKZ-GUBZILKMSA-N 1 3 202.367 1.455 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@@H+]1C ZINC000382006635 347053959 /nfs/dbraw/zinc/05/39/59/347053959.db2.gz BHJHPNKJPYHSFC-KATARQTJSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@@H]1C[C@@H](N[C@H]2C[C@@H]2C(F)F)CC[N@H+]1C ZINC000382006635 347053963 /nfs/dbraw/zinc/05/39/63/347053963.db2.gz BHJHPNKJPYHSFC-KATARQTJSA-N 1 3 218.291 1.712 20 0 BDADHO C[C@H]1C[C@@H]1C[NH2+]CCCCN1CCN(C)CC1 ZINC000583357554 344763022 /nfs/dbraw/zinc/76/30/22/344763022.db2.gz YSJSPQNRRKPCJB-UONOGXRCSA-N 1 3 239.407 1.260 20 0 BDADHO CC[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860139 344785980 /nfs/dbraw/zinc/78/59/80/344785980.db2.gz WRPDQJBPIOBNDP-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860139 344785982 /nfs/dbraw/zinc/78/59/82/344785982.db2.gz WRPDQJBPIOBNDP-STQMWFEESA-N 1 3 228.380 1.564 20 0 BDADHO CN(CCN[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000583391710 344878201 /nfs/dbraw/zinc/87/82/01/344878201.db2.gz DLCODUPQGSQOCF-UONOGXRCSA-N 1 3 247.386 1.982 20 0 BDADHO C([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)C12CC(C1)CN2 ZINC000634995512 345184998 /nfs/dbraw/zinc/18/49/98/345184998.db2.gz HDHBMELYFBHVOD-ANNIKCPVSA-N 1 3 236.359 1.286 20 0 BDADHO C(N[C@H]1CCC[C@H]2OCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634995512 345185001 /nfs/dbraw/zinc/18/50/01/345185001.db2.gz HDHBMELYFBHVOD-ANNIKCPVSA-N 1 3 236.359 1.286 20 0 BDADHO CC(C)[C@@H]1CN(CC23CC(C2)C[NH2+]3)CCN1C ZINC000634993661 345192138 /nfs/dbraw/zinc/19/21/38/345192138.db2.gz BDTSASGFHYEJKO-MOKVOYLWSA-N 1 3 237.391 1.010 20 0 BDADHO CCN1C[C@H](C)N(CC23CC(C2)C[NH2+]3)C[C@@H]1C ZINC000634994050 345192740 /nfs/dbraw/zinc/19/27/40/345192740.db2.gz PDZWPIMLCORFDQ-FEPKRQSRSA-N 1 3 237.391 1.153 20 0 BDADHO C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000634998600 345198089 /nfs/dbraw/zinc/19/80/89/345198089.db2.gz IFVKXWFXJCPTSG-GMTAPVOTSA-N 1 3 214.378 1.266 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@H]2CCSC2)C[C@H]1CN ZINC000634998600 345198090 /nfs/dbraw/zinc/19/80/90/345198090.db2.gz IFVKXWFXJCPTSG-GMTAPVOTSA-N 1 3 214.378 1.266 20 0 BDADHO CCC[C@H](CCO)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000635003696 345206877 /nfs/dbraw/zinc/20/68/77/345206877.db2.gz KJSNZCBWCIZNFW-OUAUKWLOSA-N 1 3 200.326 1.007 20 0 BDADHO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000635003900 345207021 /nfs/dbraw/zinc/20/70/21/345207021.db2.gz MJCMEXPPNSQOHM-QJPTWQEYSA-N 1 3 214.353 1.397 20 0 BDADHO CO[C@H](C)[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635007095 345211071 /nfs/dbraw/zinc/21/10/71/345211071.db2.gz ABHBAEYTAPHYHD-IJLUTSLNSA-N 1 3 228.380 1.778 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNCC(C)(C)C2)CCO1 ZINC000635012157 345214278 /nfs/dbraw/zinc/21/42/78/345214278.db2.gz REYHKMDFHOAOFN-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO CC(C)[C@@H](N)CC[N@H+](C)CC1CCOCC1 ZINC000133296755 345369226 /nfs/dbraw/zinc/36/92/26/345369226.db2.gz VVQMBDPFTYDTTQ-ZDUSSCGKSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)[C@@H](N)CC[N@@H+](C)CC1CCOCC1 ZINC000133296755 345369228 /nfs/dbraw/zinc/36/92/28/345369228.db2.gz VVQMBDPFTYDTTQ-ZDUSSCGKSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)[C@@H]([NH3+])CCN(C)CC1CCOCC1 ZINC000133296755 345369230 /nfs/dbraw/zinc/36/92/30/345369230.db2.gz VVQMBDPFTYDTTQ-ZDUSSCGKSA-N 1 3 228.380 1.718 20 0 BDADHO CC(C)[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000133766082 345385858 /nfs/dbraw/zinc/38/58/58/345385858.db2.gz PDOYSELHRFYACK-ZDUSSCGKSA-N 1 3 228.380 1.466 20 0 BDADHO COC(=O)[C@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000141313436 345841739 /nfs/dbraw/zinc/84/17/39/345841739.db2.gz KBJSCEJLQUGMHA-GFCCVEGCSA-N 1 3 240.347 1.014 20 0 BDADHO CC(C)OC(=O)CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000603432998 349953822 /nfs/dbraw/zinc/95/38/22/349953822.db2.gz LTUMDQMXBCAICY-ZJUUUORDSA-N 1 3 228.336 1.044 20 0 BDADHO CC(C)OC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000603432998 349953828 /nfs/dbraw/zinc/95/38/28/349953828.db2.gz LTUMDQMXBCAICY-ZJUUUORDSA-N 1 3 228.336 1.044 20 0 BDADHO Cn1cncc1CC[N@H+](C1CC1)C1CCNCC1 ZINC000641796014 362736706 /nfs/dbraw/zinc/73/67/06/362736706.db2.gz CWOPPDVCLTWNIZ-UHFFFAOYSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cncc1CC[N@@H+](C1CC1)C1CCNCC1 ZINC000641796014 362736708 /nfs/dbraw/zinc/73/67/08/362736708.db2.gz CWOPPDVCLTWNIZ-UHFFFAOYSA-N 1 3 248.374 1.179 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)CCc1cncn1C ZINC000641795941 362736726 /nfs/dbraw/zinc/73/67/26/362736726.db2.gz BQIXDNZDUGGTQV-CYBMUJFWSA-N 1 3 238.379 1.268 20 0 BDADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCO[C@@H]1CC1(F)F ZINC000641800728 362753114 /nfs/dbraw/zinc/75/31/14/362753114.db2.gz DRYMJTKGJHAKMM-IWSPIJDZSA-N 1 3 234.290 1.126 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000641800728 362753118 /nfs/dbraw/zinc/75/31/18/362753118.db2.gz DRYMJTKGJHAKMM-IWSPIJDZSA-N 1 3 234.290 1.126 20 0 BDADHO CC1(C)[C@H](N)C[C@H]1[NH2+]Cc1cccc(N)c1 ZINC000641802783 362760319 /nfs/dbraw/zinc/76/03/19/362760319.db2.gz OUGRQEDZDLZSBN-VXGBXAGGSA-N 1 3 219.332 1.484 20 0 BDADHO COCCCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000158523016 346535201 /nfs/dbraw/zinc/53/52/01/346535201.db2.gz FYFNDIISHNPASG-RYUDHWBXSA-N 1 3 214.353 1.472 20 0 BDADHO CC[NH+](CC)C[C@@H]1CCN(C[C@@H](C)COC)C1 ZINC000187373817 346571573 /nfs/dbraw/zinc/57/15/73/346571573.db2.gz TWPHLSBZCGCAJW-KGLIPLIRSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000187373817 346571575 /nfs/dbraw/zinc/57/15/75/346571575.db2.gz TWPHLSBZCGCAJW-KGLIPLIRSA-N 1 3 242.407 1.933 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000187373817 346571577 /nfs/dbraw/zinc/57/15/77/346571577.db2.gz TWPHLSBZCGCAJW-KGLIPLIRSA-N 1 3 242.407 1.933 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300399078 346613376 /nfs/dbraw/zinc/61/33/76/346613376.db2.gz YWENNPNZTZGLSX-SDDRHHMPSA-N 1 3 214.353 1.255 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCSC2)C1 ZINC000624119507 346650879 /nfs/dbraw/zinc/65/08/79/346650879.db2.gz DGBPMEPGIJMCHB-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(C)C2)CCN1C ZINC000247982332 323133968 /nfs/dbraw/zinc/13/39/68/323133968.db2.gz INDOTURNRCUUBV-MCIONIFRSA-N 1 3 239.407 1.401 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC000577191573 365870367 /nfs/dbraw/zinc/87/03/67/365870367.db2.gz PHRLLIJWKXSROF-JSGCOSHPSA-N 1 3 233.359 1.874 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCCc2ccccn2)C1 ZINC000577191573 365870370 /nfs/dbraw/zinc/87/03/70/365870370.db2.gz PHRLLIJWKXSROF-JSGCOSHPSA-N 1 3 233.359 1.874 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1cccc2c[nH]nc21 ZINC000580326335 347131573 /nfs/dbraw/zinc/13/15/73/347131573.db2.gz OJPBKWLOLSPTJG-VHSXEESVSA-N 1 3 232.331 1.778 20 0 BDADHO CCSCC[N@@H+]1CCCCC[C@H](N)C1 ZINC000601323507 347203454 /nfs/dbraw/zinc/20/34/54/347203454.db2.gz BAFPFIVDANXAFG-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CCSCC[N@H+]1CCCCC[C@H](N)C1 ZINC000601323507 347203458 /nfs/dbraw/zinc/20/34/58/347203458.db2.gz BAFPFIVDANXAFG-NSHDSACASA-N 1 3 216.394 1.943 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000388357846 347354450 /nfs/dbraw/zinc/35/44/50/347354450.db2.gz JWKSNYBVSCBHRQ-NEPJUHHUSA-N 1 3 214.353 1.520 20 0 BDADHO C(C[NH2+][C@@H]1CCSC1)CN1CCCC1 ZINC000020128941 347409155 /nfs/dbraw/zinc/40/91/55/347409155.db2.gz NQLDTFLDUZQIPB-LLVKDONJSA-N 1 3 214.378 1.567 20 0 BDADHO C(CN[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000020128941 347409159 /nfs/dbraw/zinc/40/91/59/347409159.db2.gz NQLDTFLDUZQIPB-LLVKDONJSA-N 1 3 214.378 1.567 20 0 BDADHO CCOCCCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000388383153 347375933 /nfs/dbraw/zinc/37/59/33/347375933.db2.gz VBDOMIMWZLQKFZ-CHWSQXEVSA-N 1 3 228.380 1.923 20 0 BDADHO Cc1c[nH+]ccc1N[C@H](C)CN1CCN(C)CC1 ZINC000192577341 347378153 /nfs/dbraw/zinc/37/81/53/347378153.db2.gz VAJOPNXPFXZRJP-CYBMUJFWSA-N 1 3 248.374 1.438 20 0 BDADHO C[C@@H]1CC[C@@H](CN2CCCC[C@@H]2CC[NH3+])O1 ZINC000149763563 347514238 /nfs/dbraw/zinc/51/42/38/347514238.db2.gz CUSAWALKDKAXSJ-UPJWGTAASA-N 1 3 226.364 1.757 20 0 BDADHO Cc1ccccc1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000037859815 179281356 /nfs/dbraw/zinc/28/13/56/179281356.db2.gz NVALXFOMYVRJAC-HNNXBMFYSA-N 1 3 248.370 1.541 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C[C@@H]1C ZINC000252981186 347832878 /nfs/dbraw/zinc/83/28/78/347832878.db2.gz QAZVJORZQAIJIY-AGIUHOORSA-N 1 3 210.365 1.964 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C[C@@H]1C ZINC000252981186 347832882 /nfs/dbraw/zinc/83/28/82/347832882.db2.gz QAZVJORZQAIJIY-AGIUHOORSA-N 1 3 210.365 1.964 20 0 BDADHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000577382994 365940556 /nfs/dbraw/zinc/94/05/56/365940556.db2.gz IMLYCSKVDLUQGK-GJZGRUSLSA-N 1 3 248.370 1.929 20 0 BDADHO CC[NH+](CC)CCCN1CCN(C(C)C)CC1 ZINC000113212707 323173581 /nfs/dbraw/zinc/17/35/81/323173581.db2.gz LZSAODTWLKGXEX-UHFFFAOYSA-N 1 3 241.423 1.744 20 0 BDADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCCCO2)C[C@H]1C[NH3+] ZINC000397485092 362888245 /nfs/dbraw/zinc/88/82/45/362888245.db2.gz UAKKSWCDRUVUSO-RQJABVFESA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCCO2)C[C@H]1CN ZINC000397485092 362888246 /nfs/dbraw/zinc/88/82/46/362888246.db2.gz UAKKSWCDRUVUSO-RQJABVFESA-N 1 3 240.391 1.861 20 0 BDADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCCO2)C[C@H]1CN ZINC000397485092 362888247 /nfs/dbraw/zinc/88/82/47/362888247.db2.gz UAKKSWCDRUVUSO-RQJABVFESA-N 1 3 240.391 1.861 20 0 BDADHO CCSC1(C[NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000596650068 348604977 /nfs/dbraw/zinc/60/49/77/348604977.db2.gz FREXRGDBFVYQQB-VHSXEESVSA-N 1 3 216.394 1.988 20 0 BDADHO CCSC1(CN[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000596650068 348604980 /nfs/dbraw/zinc/60/49/80/348604980.db2.gz FREXRGDBFVYQQB-VHSXEESVSA-N 1 3 216.394 1.988 20 0 BDADHO CSCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000596653049 348606720 /nfs/dbraw/zinc/60/67/20/348606720.db2.gz YZXRTFQVUOTSBZ-QJPTWQEYSA-N 1 3 244.404 1.096 20 0 BDADHO CC(C)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000053066880 323196504 /nfs/dbraw/zinc/19/65/04/323196504.db2.gz ZQCWATGBNSRBFL-UHFFFAOYSA-N 1 3 239.407 1.356 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000250636398 349177574 /nfs/dbraw/zinc/17/75/74/349177574.db2.gz FXCDOONSAHOQKH-IJLUTSLNSA-N 1 3 212.337 1.273 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000250667881 349177806 /nfs/dbraw/zinc/17/78/06/349177806.db2.gz SPKZMMKVYCVGSZ-WHOHXGKFSA-N 1 3 212.337 1.007 20 0 BDADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046491 538032907 /nfs/dbraw/zinc/03/29/07/538032907.db2.gz MXMPHEBCPCSQRV-TUAOUCFPSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)O ZINC000251046491 538032912 /nfs/dbraw/zinc/03/29/12/538032912.db2.gz MXMPHEBCPCSQRV-TUAOUCFPSA-N 1 3 226.364 1.362 20 0 BDADHO CCSCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308937370 349169288 /nfs/dbraw/zinc/16/92/88/349169288.db2.gz TXCRQRWYLNRWCV-RYUDHWBXSA-N 1 3 228.405 1.800 20 0 BDADHO CCSCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000308937370 349169291 /nfs/dbraw/zinc/16/92/91/349169291.db2.gz TXCRQRWYLNRWCV-RYUDHWBXSA-N 1 3 228.405 1.800 20 0 BDADHO COC[C@@H](C)CN(C)CC[C@H]([NH3+])C(C)C ZINC000253101087 349225598 /nfs/dbraw/zinc/22/55/98/349225598.db2.gz AKTLJMIKFZKEHB-RYUDHWBXSA-N 1 3 216.369 1.574 20 0 BDADHO CC[C@H](CO)[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000219374931 350124345 /nfs/dbraw/zinc/12/43/45/350124345.db2.gz DTQVZKCLGPXXKM-WQAKAFBOSA-N 1 3 220.316 1.492 20 0 BDADHO CC(C)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000036190216 191052281 /nfs/dbraw/zinc/05/22/81/191052281.db2.gz SLHLAKJKPFXYCM-CYBMUJFWSA-N 1 3 225.380 1.012 20 0 BDADHO Cc1ncsc1CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000228202119 180309192 /nfs/dbraw/zinc/30/91/92/180309192.db2.gz PXALRNXZOUZEDC-GXSJLCMTSA-N 1 3 239.388 1.663 20 0 BDADHO C[C@@]1(C[NH3+])CCN(C[C@H]2CCCCO2)C1 ZINC000300351762 490557832 /nfs/dbraw/zinc/55/78/32/490557832.db2.gz DIROSGDUAWTKKK-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(CN)CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000300351762 490557834 /nfs/dbraw/zinc/55/78/34/490557834.db2.gz DIROSGDUAWTKKK-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO C[C@@]1(CN)CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000300351762 490557839 /nfs/dbraw/zinc/55/78/39/490557839.db2.gz DIROSGDUAWTKKK-NEPJUHHUSA-N 1 3 212.337 1.226 20 0 BDADHO C(C[NH2+][C@@H]1CCCSC1)CN1CCCC1 ZINC000061571799 350518818 /nfs/dbraw/zinc/51/88/18/350518818.db2.gz NZVAHYDGYJNGHY-GFCCVEGCSA-N 1 3 228.405 1.958 20 0 BDADHO C(CN[C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000061571799 350518821 /nfs/dbraw/zinc/51/88/21/350518821.db2.gz NZVAHYDGYJNGHY-GFCCVEGCSA-N 1 3 228.405 1.958 20 0 BDADHO CC[C@@H]1CCC[C@H]1[NH2+]CCOCCN(C)C ZINC000219320830 490566257 /nfs/dbraw/zinc/56/62/57/490566257.db2.gz MLWVUWFUXFAWJL-CHWSQXEVSA-N 1 3 228.380 1.733 20 0 BDADHO FCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000128110035 490572025 /nfs/dbraw/zinc/57/20/25/490572025.db2.gz SICZQRYUZCWIGT-QWRGUYRKSA-N 1 3 200.301 1.562 20 0 BDADHO FCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000128110035 490572029 /nfs/dbraw/zinc/57/20/29/490572029.db2.gz SICZQRYUZCWIGT-QWRGUYRKSA-N 1 3 200.301 1.562 20 0 BDADHO C[C@@H]1C[C@@H](NCc2cc[nH]c2)CC[N@@H+]1C ZINC000094755101 350607312 /nfs/dbraw/zinc/60/73/12/350607312.db2.gz BGZZXNKGLNADOO-PWSUYJOCSA-N 1 3 207.321 1.587 20 0 BDADHO C[C@@H]1C[C@@H](NCc2cc[nH]c2)CC[N@H+]1C ZINC000094755101 350607314 /nfs/dbraw/zinc/60/73/14/350607314.db2.gz BGZZXNKGLNADOO-PWSUYJOCSA-N 1 3 207.321 1.587 20 0 BDADHO C[C@@H]1CC[C@H](CN[C@@H]2CC[NH2+]CC2(C)C)O1 ZINC000398097991 363005996 /nfs/dbraw/zinc/00/59/96/363005996.db2.gz QXNWNYKVNYDYSW-IJLUTSLNSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCNCC2(C)C)O1 ZINC000398097991 363006002 /nfs/dbraw/zinc/00/60/02/363006002.db2.gz QXNWNYKVNYDYSW-IJLUTSLNSA-N 1 3 226.364 1.532 20 0 BDADHO CCN(CC)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000036907815 358464953 /nfs/dbraw/zinc/46/49/53/358464953.db2.gz VBIBSXCZFKRXFQ-BFHYXJOUSA-N 1 3 241.423 1.647 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C1 ZINC000577626403 366024165 /nfs/dbraw/zinc/02/41/65/366024165.db2.gz DQBFGEZWFSPDKF-UTUOFQBUSA-N 1 3 234.347 1.127 20 0 BDADHO C[NH+](C)CC1(C(=O)Nc2cccc(CN)c2)CC1 ZINC000637802662 351637955 /nfs/dbraw/zinc/63/79/55/351637955.db2.gz YNKQCHOOXPLPTR-UHFFFAOYSA-N 1 3 247.342 1.426 20 0 BDADHO CC(C)CC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000637852234 351711568 /nfs/dbraw/zinc/71/15/68/351711568.db2.gz VCRNKUYXUYXGGQ-YPMHNXCESA-N 1 3 243.395 1.240 20 0 BDADHO CC[C@@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)N(C)C ZINC000637852666 351712617 /nfs/dbraw/zinc/71/26/17/351712617.db2.gz WSGATYSACRHUFF-WCQYABFASA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)C1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000638186445 352050989 /nfs/dbraw/zinc/05/09/89/352050989.db2.gz UBRMQBKQWIFBMN-VXGBXAGGSA-N 1 3 208.349 1.574 20 0 BDADHO C(C1CCSCC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000638186354 352051648 /nfs/dbraw/zinc/05/16/48/352051648.db2.gz RJWFVRKTRXBUIS-VXGBXAGGSA-N 1 3 226.389 1.281 20 0 BDADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000638208380 352070701 /nfs/dbraw/zinc/07/07/01/352070701.db2.gz FAQAEQIBPVETCB-WOPDTQHZSA-N 1 3 241.379 1.007 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638368350 352179567 /nfs/dbraw/zinc/17/95/67/352179567.db2.gz JKHZMEBOGVEXQR-GHMZBOCLSA-N 1 3 243.395 1.206 20 0 BDADHO CCCC[C@H](COC)N[C@H]1CCC[NH2+]CC1 ZINC000414918320 352274046 /nfs/dbraw/zinc/27/40/46/352274046.db2.gz RZXKRAVUBFHETK-QWHCGFSZSA-N 1 3 228.380 1.923 20 0 BDADHO CC[NH+]1CCC(N[C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000340451596 352369809 /nfs/dbraw/zinc/36/98/09/352369809.db2.gz ZFPWKJHNYXBEAV-LLVKDONJSA-N 1 3 249.358 1.922 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N)C1)C1CCOCC1 ZINC000300362911 352560268 /nfs/dbraw/zinc/56/02/68/352560268.db2.gz GMEWRQMIGWQJDX-WCFLWFBJSA-N 1 3 226.364 1.661 20 0 BDADHO C[N@@H+]1CCC[C@@]2(CCN(C[C@@H]3CCCO3)C2)C1 ZINC000334235413 352852666 /nfs/dbraw/zinc/85/26/66/352852666.db2.gz HAPWMTWYMUHVIK-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO C[N@H+]1CCC[C@@]2(CCN(C[C@@H]3CCCO3)C2)C1 ZINC000334235413 352852667 /nfs/dbraw/zinc/85/26/67/352852667.db2.gz HAPWMTWYMUHVIK-UONOGXRCSA-N 1 3 238.375 1.583 20 0 BDADHO CC(C)N(CC[NH2+][C@@H]1CN(C)C[C@H]1C)C(C)C ZINC000342852770 352875315 /nfs/dbraw/zinc/87/53/15/352875315.db2.gz RTHXDQYYVXHYCO-ZIAGYGMSSA-N 1 3 241.423 1.645 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412097256 191259615 /nfs/dbraw/zinc/25/96/15/191259615.db2.gz UZBQVCLYHVVSKF-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412097256 191259618 /nfs/dbraw/zinc/25/96/18/191259618.db2.gz UZBQVCLYHVVSKF-ZIAGYGMSSA-N 1 3 242.407 1.811 20 0 BDADHO CCCN(C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819548 352999725 /nfs/dbraw/zinc/99/97/25/352999725.db2.gz KKGHPMIUOPFLDN-LBPRGKRZSA-N 1 3 241.379 1.058 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638821914 353002848 /nfs/dbraw/zinc/00/28/48/353002848.db2.gz DDNXXAHVOQFWLX-YPMHNXCESA-N 1 3 241.379 1.234 20 0 BDADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000428213129 538107614 /nfs/dbraw/zinc/10/76/14/538107614.db2.gz QLNXVSNBQKHTQI-NSHDSACASA-N 1 3 236.363 1.792 20 0 BDADHO C[C@@H]([NH3+])C1CCN(Cc2cncs2)CC1 ZINC000166659670 133956116 /nfs/dbraw/zinc/95/61/16/133956116.db2.gz AAMRTYJAIAWMGZ-SECBINFHSA-N 1 3 225.361 1.702 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(CC)C[C@H]2C)C1 ZINC000343557949 353920920 /nfs/dbraw/zinc/92/09/20/353920920.db2.gz GOHAHIVIBIXIQJ-MGPQQGTHSA-N 1 3 239.407 1.258 20 0 BDADHO CN(C)CCC[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639168372 354072617 /nfs/dbraw/zinc/07/26/17/354072617.db2.gz RVWKRWYMSHCCKP-UHFFFAOYSA-N 1 3 223.320 1.171 20 0 BDADHO CN(C)CCC[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000639168372 354072620 /nfs/dbraw/zinc/07/26/20/354072620.db2.gz RVWKRWYMSHCCKP-UHFFFAOYSA-N 1 3 223.320 1.171 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000344068298 354131750 /nfs/dbraw/zinc/13/17/50/354131750.db2.gz VGXPXKODCKVSGM-RDBSUJKOSA-N 1 3 241.423 1.647 20 0 BDADHO CCOCCCN(C)[C@H]1CCC[NH2+]CC1 ZINC000231670580 363347377 /nfs/dbraw/zinc/34/73/77/363347377.db2.gz JCPOHFDDXMPZPX-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CCOCCC[N@H+](C)[C@H]1CCCNCC1 ZINC000231670580 363347381 /nfs/dbraw/zinc/34/73/81/363347381.db2.gz JCPOHFDDXMPZPX-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CCOCCC[N@@H+](C)[C@H]1CCCNCC1 ZINC000231670580 363347384 /nfs/dbraw/zinc/34/73/84/363347384.db2.gz JCPOHFDDXMPZPX-LBPRGKRZSA-N 1 3 214.353 1.487 20 0 BDADHO CCOCCCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231670575 363347595 /nfs/dbraw/zinc/34/75/95/363347595.db2.gz JCPOHFDDXMPZPX-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCOCCC[N@H+](C)[C@@H]1CCCNCC1 ZINC000231670575 363347599 /nfs/dbraw/zinc/34/75/99/363347599.db2.gz JCPOHFDDXMPZPX-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CCOCCC[N@@H+](C)[C@@H]1CCCNCC1 ZINC000231670575 363347601 /nfs/dbraw/zinc/34/76/01/363347601.db2.gz JCPOHFDDXMPZPX-GFCCVEGCSA-N 1 3 214.353 1.487 20 0 BDADHO CN(C)CCOCC[NH2+]C1CCSCC1 ZINC000231676645 363347646 /nfs/dbraw/zinc/34/76/46/363347646.db2.gz QVMAUHDRGATBAO-UHFFFAOYSA-N 1 3 232.393 1.050 20 0 BDADHO CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)N(CC)CC ZINC000344651841 354337793 /nfs/dbraw/zinc/33/77/93/354337793.db2.gz GKYTXSUSSFBRRG-RYUDHWBXSA-N 1 3 243.395 1.173 20 0 BDADHO C[C@H]([NH3+])c1ccc(NC(=O)CNC2CC2)cc1 ZINC000178907948 366180319 /nfs/dbraw/zinc/18/03/19/366180319.db2.gz FHMUJISGNHYLIA-VIFPVBQESA-N 1 3 233.315 1.397 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1ccsc1 ZINC000234796523 363431723 /nfs/dbraw/zinc/43/17/23/363431723.db2.gz JRLCETVQLSEWLR-NSHDSACASA-N 1 3 228.361 1.592 20 0 BDADHO CCC1(C[N@@H+]2CC[C@H]([C@@H](C)N)C2)CCOCC1 ZINC000346690753 355075237 /nfs/dbraw/zinc/07/52/37/355075237.db2.gz UVHRQNQSBCYTQX-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO CCC1(C[N@H+]2CC[C@H]([C@@H](C)N)C2)CCOCC1 ZINC000346690753 355075240 /nfs/dbraw/zinc/07/52/40/355075240.db2.gz UVHRQNQSBCYTQX-OLZOCXBDSA-N 1 3 240.391 1.862 20 0 BDADHO Cc1cc(CN)cc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000335237011 355098571 /nfs/dbraw/zinc/09/85/71/355098571.db2.gz KOZUNKRYBCVYRI-GFCCVEGCSA-N 1 3 247.342 1.392 20 0 BDADHO CCCCCN(CCO)C[C@H]1CCC[NH2+]C1 ZINC000346848986 355137772 /nfs/dbraw/zinc/13/77/72/355137772.db2.gz GBQHZTHWUJQTDK-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CCCCC[N@H+](CCO)C[C@H]1CCCNC1 ZINC000346848986 355137776 /nfs/dbraw/zinc/13/77/76/355137776.db2.gz GBQHZTHWUJQTDK-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CCCCC[N@@H+](CCO)C[C@H]1CCCNC1 ZINC000346848986 355137778 /nfs/dbraw/zinc/13/77/78/355137778.db2.gz GBQHZTHWUJQTDK-ZDUSSCGKSA-N 1 3 228.380 1.471 20 0 BDADHO CC[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000412974448 191344430 /nfs/dbraw/zinc/34/44/30/191344430.db2.gz AMZVDUCUIUZAST-PIGZVRMJSA-N 1 3 240.391 1.968 20 0 BDADHO CC[C@@H](CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000412974448 191344431 /nfs/dbraw/zinc/34/44/31/191344431.db2.gz AMZVDUCUIUZAST-PIGZVRMJSA-N 1 3 240.391 1.968 20 0 BDADHO CC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)OC ZINC000412975273 191345801 /nfs/dbraw/zinc/34/58/01/191345801.db2.gz FAUBFMJPSGBORE-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)OC ZINC000412975273 191345802 /nfs/dbraw/zinc/34/58/02/191345802.db2.gz FAUBFMJPSGBORE-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)OC ZINC000412975273 191345804 /nfs/dbraw/zinc/34/58/04/191345804.db2.gz FAUBFMJPSGBORE-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)OC ZINC000412975273 191345805 /nfs/dbraw/zinc/34/58/05/191345805.db2.gz FAUBFMJPSGBORE-MGPQQGTHSA-N 1 3 240.391 1.828 20 0 BDADHO CC[C@@H](C[N@@H+]1CC[C@@H](CN2CCCC2)C1)OC ZINC000412979007 191349297 /nfs/dbraw/zinc/34/92/97/191349297.db2.gz RQWOEEVTSFSGCO-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CC[C@@H](C[N@H+]1CC[C@@H](CN2CCCC2)C1)OC ZINC000412979007 191349299 /nfs/dbraw/zinc/34/92/99/191349299.db2.gz RQWOEEVTSFSGCO-KBPBESRZSA-N 1 3 240.391 1.829 20 0 BDADHO CCN1C[C@@H](C)[C@H](NCCC[NH+](CC)CC)C1 ZINC000347664121 355255206 /nfs/dbraw/zinc/25/52/06/355255206.db2.gz OUUBWNIOEFUOPT-ZIAGYGMSSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)CCO1 ZINC000388975915 355382295 /nfs/dbraw/zinc/38/22/95/355382295.db2.gz ZAIUJDDRNDOUKH-FVCCEPFGSA-N 1 3 226.364 1.661 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](N)C2)CCO1 ZINC000388975919 355382360 /nfs/dbraw/zinc/38/23/60/355382360.db2.gz ZAIUJDDRNDOUKH-LPWJVIDDSA-N 1 3 226.364 1.661 20 0 BDADHO O[C@@H]1C[NH2+]C[C@H]1CNCCC1CCCCCC1 ZINC000414778190 191567147 /nfs/dbraw/zinc/56/71/47/191567147.db2.gz DYCWTNKQZYLULR-ZIAGYGMSSA-N 1 3 240.391 1.517 20 0 BDADHO C1CC2(C1)[C@H]([NH2+]C1CCNCC1)[C@@H]1CCO[C@@H]12 ZINC000414784464 191567572 /nfs/dbraw/zinc/56/75/72/191567572.db2.gz SISMTPXGYQFRGM-XQQFMLRXSA-N 1 3 236.359 1.286 20 0 BDADHO C1CC2(C1)[C@H](NC1CC[NH2+]CC1)[C@@H]1CCO[C@@H]12 ZINC000414784464 191567575 /nfs/dbraw/zinc/56/75/75/191567575.db2.gz SISMTPXGYQFRGM-XQQFMLRXSA-N 1 3 236.359 1.286 20 0 BDADHO CC[C@@H]1C[C@H](C[NH2+][C@H]2CCNC2(C)C)CCO1 ZINC000415037982 191659731 /nfs/dbraw/zinc/65/97/31/191659731.db2.gz LRDCIOADEIILRO-UPJWGTAASA-N 1 3 240.391 1.922 20 0 BDADHO C[C@@H](F)CC[NH+]1CCC(N(C)CCO)CC1 ZINC000352050744 134046762 /nfs/dbraw/zinc/04/67/62/134046762.db2.gz UTLVMTLKEVASPX-LLVKDONJSA-N 1 3 232.343 1.123 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000167323193 355991489 /nfs/dbraw/zinc/99/14/89/355991489.db2.gz LHQXKQGUUUQKFD-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO CCC[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000167323193 355991491 /nfs/dbraw/zinc/99/14/91/355991491.db2.gz LHQXKQGUUUQKFD-VXGBXAGGSA-N 1 3 241.379 1.104 20 0 BDADHO C[NH+](C)CC1CCN(CCc2cnccn2)CC1 ZINC000639454409 356238733 /nfs/dbraw/zinc/23/87/33/356238733.db2.gz ZDLVUYUXDKKQOG-UHFFFAOYSA-N 1 3 248.374 1.293 20 0 BDADHO CC(C)OC(=O)CCN1CCC([C@H](C)[NH3+])CC1 ZINC000420291748 192203638 /nfs/dbraw/zinc/20/36/38/192203638.db2.gz KRCARJFEBDXKTB-NSHDSACASA-N 1 3 242.363 1.387 20 0 BDADHO COc1ccccc1CCCN1CC[C@H](C[NH3+])C1 ZINC000420287967 192201122 /nfs/dbraw/zinc/20/11/22/192201122.db2.gz GUOBEFYFRBLWKG-CYBMUJFWSA-N 1 3 248.370 1.908 20 0 BDADHO CCOC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000420288492 192201215 /nfs/dbraw/zinc/20/12/15/192201215.db2.gz IXZHENLOTXKNPB-NSHDSACASA-N 1 3 230.352 1.245 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC[C@@H]1CCCCO1 ZINC000420308132 192210005 /nfs/dbraw/zinc/21/00/05/192210005.db2.gz CLQPQEHGNOYPGN-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC[C@@H]1CCCCO1 ZINC000420308132 192210008 /nfs/dbraw/zinc/21/00/08/192210008.db2.gz CLQPQEHGNOYPGN-AGIUHOORSA-N 1 3 226.364 1.615 20 0 BDADHO CO[C@@]1(C)C[C@@H]([N@H+](C)CCCN)C1(C)C ZINC000420308445 192211630 /nfs/dbraw/zinc/21/16/30/192211630.db2.gz SGDZPQCRRXVZJW-PWSUYJOCSA-N 1 3 214.353 1.471 20 0 BDADHO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCN)C1(C)C ZINC000420308445 192211632 /nfs/dbraw/zinc/21/16/32/192211632.db2.gz SGDZPQCRRXVZJW-PWSUYJOCSA-N 1 3 214.353 1.471 20 0 BDADHO Cc1cnn(CCN[C@](C)(C[NH3+])C(C)C)c1 ZINC000420323442 192227847 /nfs/dbraw/zinc/22/78/47/192227847.db2.gz UHOBWANJVUJJCD-GFCCVEGCSA-N 1 3 224.352 1.155 20 0 BDADHO CN(C[C@H](O)C[NH3+])[C@@H]1CCCc2ccccc21 ZINC000420356624 192219338 /nfs/dbraw/zinc/21/93/38/192219338.db2.gz RCCOURJRCBQFBS-TZMCWYRMSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@H+](C[C@H](O)CN)[C@@H]1CCCc2ccccc21 ZINC000420356624 192219341 /nfs/dbraw/zinc/21/93/41/192219341.db2.gz RCCOURJRCBQFBS-TZMCWYRMSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@@H+](C[C@H](O)CN)[C@@H]1CCCc2ccccc21 ZINC000420356624 192219344 /nfs/dbraw/zinc/21/93/44/192219344.db2.gz RCCOURJRCBQFBS-TZMCWYRMSA-N 1 3 234.343 1.315 20 0 BDADHO C[N@H+](CCCN1CCCCC1)[C@@H]1CCCOC1 ZINC000352186143 134099839 /nfs/dbraw/zinc/09/98/39/134099839.db2.gz JHTJCFOBFUVANV-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO C[N@@H+](CCCN1CCCCC1)[C@@H]1CCCOC1 ZINC000352186143 134099840 /nfs/dbraw/zinc/09/98/40/134099840.db2.gz JHTJCFOBFUVANV-CQSZACIVSA-N 1 3 240.391 1.973 20 0 BDADHO CC(C)N(CCC[NH3+])CCc1nccs1 ZINC000420359959 192221223 /nfs/dbraw/zinc/22/12/23/192221223.db2.gz LHWTVPGBGQABSN-UHFFFAOYSA-N 1 3 227.377 1.745 20 0 BDADHO CCN1C[C@@H](C)N(CCC[NH2+]C)C[C@H]1C ZINC000420365785 192223350 /nfs/dbraw/zinc/22/33/50/192223350.db2.gz SOXMXINFNNPTTE-VXGBXAGGSA-N 1 3 213.369 1.010 20 0 BDADHO [NH3+]C[C@H](NCCn1cccn1)C1CCCCC1 ZINC000420365860 192223798 /nfs/dbraw/zinc/22/37/98/192223798.db2.gz LTOFDVTZWZWBAY-ZDUSSCGKSA-N 1 3 236.363 1.380 20 0 BDADHO CCOCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420381872 192234473 /nfs/dbraw/zinc/23/44/73/192234473.db2.gz CUMLKTUQZWFRLT-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO CN1CC[C@H](NCCC[NH3+])[C@H]1c1ccccc1 ZINC000420390634 192236268 /nfs/dbraw/zinc/23/62/68/192236268.db2.gz ABXPQFIKPOBOBX-UONOGXRCSA-N 1 3 233.359 1.370 20 0 BDADHO C[NH2+]CCCN[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000420393474 192236294 /nfs/dbraw/zinc/23/62/94/192236294.db2.gz CDPGFOXIUJUZOZ-GJZGRUSLSA-N 1 3 247.386 1.631 20 0 BDADHO COCCCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000420406770 192238809 /nfs/dbraw/zinc/23/88/09/192238809.db2.gz NZAONISLAMLHRK-CHWSQXEVSA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000420406770 192238811 /nfs/dbraw/zinc/23/88/11/192238811.db2.gz NZAONISLAMLHRK-CHWSQXEVSA-N 1 3 228.380 1.720 20 0 BDADHO COCCCCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420406770 192238814 /nfs/dbraw/zinc/23/88/14/192238814.db2.gz NZAONISLAMLHRK-CHWSQXEVSA-N 1 3 228.380 1.720 20 0 BDADHO COc1ccc(CC[N@@H+]2CCC[C@H](CN)C2)cc1 ZINC000011888448 356421401 /nfs/dbraw/zinc/42/14/01/356421401.db2.gz LEPQOVOSFZYGON-CQSZACIVSA-N 1 3 248.370 1.908 20 0 BDADHO COc1ccc(CC[N@H+]2CCC[C@H](CN)C2)cc1 ZINC000011888448 356421404 /nfs/dbraw/zinc/42/14/04/356421404.db2.gz LEPQOVOSFZYGON-CQSZACIVSA-N 1 3 248.370 1.908 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@@H]1NC[C@H](C)[NH3+] ZINC000420411528 192239099 /nfs/dbraw/zinc/23/90/99/192239099.db2.gz RTOPUFWRLFNPGC-SRVKXCTJSA-N 1 3 214.353 1.517 20 0 BDADHO C[NH2+]CCCN[C@H]1CCCO[C@H]1CC(C)C ZINC000420409687 192239151 /nfs/dbraw/zinc/23/91/51/192239151.db2.gz QNRLWGWNWFWWCV-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO CNCCC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000420409687 192239153 /nfs/dbraw/zinc/23/91/53/192239153.db2.gz QNRLWGWNWFWWCV-STQMWFEESA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](N)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000420412065 192239970 /nfs/dbraw/zinc/23/99/70/192239970.db2.gz SAMALEPZILWFLF-FPMFFAJLSA-N 1 3 234.343 1.701 20 0 BDADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC[C@@H]1CCCCO1 ZINC000420381235 192233479 /nfs/dbraw/zinc/23/34/79/192233479.db2.gz ZBIQHUHURXHPAP-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CC[C@@H](C)[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019505669 356484471 /nfs/dbraw/zinc/48/44/71/356484471.db2.gz BCPJNVPIQGSBGI-GHMZBOCLSA-N 1 3 243.395 1.064 20 0 BDADHO CC[C@@H](CO)N[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423058258 192554977 /nfs/dbraw/zinc/55/49/77/192554977.db2.gz JBXBRAWXSMFJCA-UBHSHLNASA-N 1 3 236.359 1.305 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCOC(F)F ZINC000423116745 192573975 /nfs/dbraw/zinc/57/39/75/192573975.db2.gz RKGNTIDYANVYNA-UWVGGRQHSA-N 1 3 236.306 1.593 20 0 BDADHO CCC[C@@H](O)CN(C)C1CC[NH+](CCC)CC1 ZINC000450473484 202178145 /nfs/dbraw/zinc/17/81/45/202178145.db2.gz ZRBSQVABUVQKLN-CQSZACIVSA-N 1 3 242.407 1.954 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423218662 192632368 /nfs/dbraw/zinc/63/23/68/192632368.db2.gz SFGPWMJKNDVCMX-RWMBFGLXSA-N 1 3 228.380 1.779 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN(C)CCC1CC1 ZINC000393730803 357294370 /nfs/dbraw/zinc/29/43/70/357294370.db2.gz GKVFROSZAZLYGS-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN(C)CCC1CC1 ZINC000393730803 357294374 /nfs/dbraw/zinc/29/43/74/357294374.db2.gz GKVFROSZAZLYGS-GFCCVEGCSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccoc1 ZINC000582480859 357316601 /nfs/dbraw/zinc/31/66/01/357316601.db2.gz ODZGHKKSKUTWRX-SNVBAGLBSA-N 1 3 206.289 1.850 20 0 BDADHO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)NC ZINC000584361113 357327234 /nfs/dbraw/zinc/32/72/34/357327234.db2.gz CXSCNDRJHDJMKK-JTQLQIEISA-N 1 3 235.331 1.343 20 0 BDADHO Cc1cnccc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000582857289 357421390 /nfs/dbraw/zinc/42/13/90/357421390.db2.gz ZOZMJAVBSPEBLT-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1cnccc1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000582857289 357421394 /nfs/dbraw/zinc/42/13/94/357421394.db2.gz ZOZMJAVBSPEBLT-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO C[N@@H+]1CC[C@@H](NCCOCC2CC2)CC1(C)C ZINC000623410101 357503796 /nfs/dbraw/zinc/50/37/96/357503796.db2.gz APHHAMTWAIAGPG-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO C[N@H+]1CC[C@@H](NCCOCC2CC2)CC1(C)C ZINC000623410101 357503801 /nfs/dbraw/zinc/50/38/01/357503801.db2.gz APHHAMTWAIAGPG-CYBMUJFWSA-N 1 3 240.391 1.875 20 0 BDADHO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000361152632 538868152 /nfs/dbraw/zinc/86/81/52/538868152.db2.gz JZFIPTHVXPAWAR-HZSPNIEDSA-N 1 3 241.423 1.647 20 0 BDADHO CN(C)CCOCC[NH2+]C[C@H]1CC=CCC1 ZINC000231676797 357619725 /nfs/dbraw/zinc/61/97/25/357619725.db2.gz WYOHEVQFLBHJCL-ZDUSSCGKSA-N 1 3 226.364 1.511 20 0 BDADHO N[C@H]1CCC[C@@H]([NH2+]CCC2(O)CCC2)C1 ZINC000397765916 357683277 /nfs/dbraw/zinc/68/32/77/357683277.db2.gz YWTCXTCBDUEEAI-WDEREUQCSA-N 1 3 212.337 1.151 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCC2(O)CCC2)C1 ZINC000397765916 357683278 /nfs/dbraw/zinc/68/32/78/357683278.db2.gz YWTCXTCBDUEEAI-WDEREUQCSA-N 1 3 212.337 1.151 20 0 BDADHO Cc1ccncc1CNCCOCC[NH+](C)C ZINC000234257679 357788351 /nfs/dbraw/zinc/78/83/51/357788351.db2.gz JWKAWYBXHOTIAA-UHFFFAOYSA-N 1 3 237.347 1.058 20 0 BDADHO Cc1c[nH+]ccc1N(C)CCN(C)C1CC1 ZINC000192777479 357851843 /nfs/dbraw/zinc/85/18/43/357851843.db2.gz UQDJVWIDLXANJI-UHFFFAOYSA-N 1 3 219.332 1.920 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623416863 357860408 /nfs/dbraw/zinc/86/04/08/357860408.db2.gz KDSANHGEKWJESO-RWMBFGLXSA-N 1 3 242.407 1.856 20 0 BDADHO CC[C@H](C)[C@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623416863 357860411 /nfs/dbraw/zinc/86/04/11/357860411.db2.gz KDSANHGEKWJESO-RWMBFGLXSA-N 1 3 242.407 1.856 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1cccc(F)c1 ZINC000234795069 357828954 /nfs/dbraw/zinc/82/89/54/357828954.db2.gz LBXQCQRJUGRHAH-ZDUSSCGKSA-N 1 3 240.322 1.669 20 0 BDADHO COC[C@@H](CCC[NH3+])NCc1ccccc1F ZINC000234732366 357833807 /nfs/dbraw/zinc/83/38/07/357833807.db2.gz JGHJHAAEMWXXMP-GFCCVEGCSA-N 1 3 240.322 1.669 20 0 BDADHO COCCN1CCC(Nc2cc[nH+]cc2C)CC1 ZINC000192531448 357843783 /nfs/dbraw/zinc/84/37/83/357843783.db2.gz GGOZKGLLBFIGGJ-UHFFFAOYSA-N 1 3 249.358 1.913 20 0 BDADHO C[C@H]1COCC[C@H]1[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000192604283 357846029 /nfs/dbraw/zinc/84/60/29/357846029.db2.gz JUWYQFPONZWPOL-RFQIPJPRSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@H](C[NH2+]C1CCC(O)CC1)CN1CCCC1 ZINC000235470684 357870993 /nfs/dbraw/zinc/87/09/93/357870993.db2.gz YUYZIUZEZJEBSC-IYXRBSQSSA-N 1 3 240.391 1.611 20 0 BDADHO CNC[C@@](C)(O)C[NH2+][C@@H]1CCCC1(C)C ZINC000584415531 357915995 /nfs/dbraw/zinc/91/59/95/357915995.db2.gz MQBFWHJYEGGUBL-ZYHUDNBSSA-N 1 3 214.353 1.125 20 0 BDADHO CCCN1CC[C@H](C[NH2+]CC2(O)CCCC2)C1 ZINC000583747933 357933120 /nfs/dbraw/zinc/93/31/20/357933120.db2.gz KEJRCTZVSXVYIF-CYBMUJFWSA-N 1 3 240.391 1.613 20 0 BDADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCO1 ZINC000168713225 134246659 /nfs/dbraw/zinc/24/66/59/134246659.db2.gz RIVKJPUIJOZSRG-QJPTWQEYSA-N 1 3 212.337 1.286 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@@H](O)C2CC2)CC1(C)C ZINC000623418117 358061981 /nfs/dbraw/zinc/06/19/81/358061981.db2.gz CGWKSIWNBXSCLN-NWDGAFQWSA-N 1 3 226.364 1.220 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@@H](O)C2CC2)CC1(C)C ZINC000623418117 358061982 /nfs/dbraw/zinc/06/19/82/358061982.db2.gz CGWKSIWNBXSCLN-NWDGAFQWSA-N 1 3 226.364 1.220 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000228278122 358372293 /nfs/dbraw/zinc/37/22/93/358372293.db2.gz YWENNPNZTZGLSX-QJPTWQEYSA-N 1 3 214.353 1.255 20 0 BDADHO CCN1CCC[C@H](C[NH2+]Cc2ccn(C)c2)C1 ZINC000124562728 358518300 /nfs/dbraw/zinc/51/83/00/358518300.db2.gz BWPOVNIOGIIFJR-CYBMUJFWSA-N 1 3 235.375 1.847 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1C ZINC000219306975 134281420 /nfs/dbraw/zinc/28/14/20/134281420.db2.gz OXEHLQLLBOYZAB-MGPQQGTHSA-N 1 3 242.407 1.979 20 0 BDADHO C[C@@H]1C[C@H](NCCc2ccco2)CC[N@@H+]1C ZINC000129668230 358592418 /nfs/dbraw/zinc/59/24/18/358592418.db2.gz OAWUAXKSRJLLKG-VXGBXAGGSA-N 1 3 222.332 1.894 20 0 BDADHO C[C@@H]1C[C@H](NCCc2ccco2)CC[N@H+]1C ZINC000129668230 358592421 /nfs/dbraw/zinc/59/24/21/358592421.db2.gz OAWUAXKSRJLLKG-VXGBXAGGSA-N 1 3 222.332 1.894 20 0 BDADHO FC(F)(F)COCCC[N@@H+]1CCCNCC1 ZINC000049311933 358681338 /nfs/dbraw/zinc/68/13/38/358681338.db2.gz JBNDMLYAWPONPQ-UHFFFAOYSA-N 1 3 240.269 1.251 20 0 BDADHO FC(F)(F)COCCC[N@H+]1CCCNCC1 ZINC000049311933 358681341 /nfs/dbraw/zinc/68/13/41/358681341.db2.gz JBNDMLYAWPONPQ-UHFFFAOYSA-N 1 3 240.269 1.251 20 0 BDADHO CN(CCCF)C[C@H]1CCC[N@H+](C)C1 ZINC000133426380 358753985 /nfs/dbraw/zinc/75/39/85/358753985.db2.gz JXRLASJSXSUHKE-NSHDSACASA-N 1 3 202.317 1.620 20 0 BDADHO CN(CCCF)C[C@H]1CCC[N@@H+](C)C1 ZINC000133426380 358753987 /nfs/dbraw/zinc/75/39/87/358753987.db2.gz JXRLASJSXSUHKE-NSHDSACASA-N 1 3 202.317 1.620 20 0 BDADHO CC(C)N(C)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000054111220 358852992 /nfs/dbraw/zinc/85/29/92/358852992.db2.gz IXZLIABVPNXCAQ-MGPQQGTHSA-N 1 3 241.423 1.645 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCO[C@H](C)C1)CN1CCCC1 ZINC000070361846 359051504 /nfs/dbraw/zinc/05/15/04/359051504.db2.gz IDQAXAAGGKVOFZ-MGPQQGTHSA-N 1 3 240.391 1.875 20 0 BDADHO COCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248177354 359258016 /nfs/dbraw/zinc/25/80/16/359258016.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO COCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248177354 359258019 /nfs/dbraw/zinc/25/80/19/359258019.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248177354 359258021 /nfs/dbraw/zinc/25/80/21/359258021.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO COCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000248177354 359258025 /nfs/dbraw/zinc/25/80/25/359258025.db2.gz VVVOQGMOJMVPQU-NWDGAFQWSA-N 1 3 212.337 1.049 20 0 BDADHO COCC1(N[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623452101 359349449 /nfs/dbraw/zinc/34/94/49/359349449.db2.gz XKQFQRKOHAQLGL-LLVKDONJSA-N 1 3 226.364 1.628 20 0 BDADHO COCC1(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623452101 359349451 /nfs/dbraw/zinc/34/94/51/359349451.db2.gz XKQFQRKOHAQLGL-LLVKDONJSA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H](CC[NH3+])NC(=O)c1ccccc1CN(C)C ZINC000423496285 192794817 /nfs/dbraw/zinc/79/48/17/192794817.db2.gz GKOKHENYMOPWSX-NSHDSACASA-N 1 3 249.358 1.215 20 0 BDADHO Cc1ncsc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000391126492 359624526 /nfs/dbraw/zinc/62/45/26/359624526.db2.gz DPIOXXBEUDTZFV-GHMZBOCLSA-N 1 3 239.388 1.854 20 0 BDADHO Cc1ccc(CNCCCC[NH+](C)C)nc1 ZINC000087782358 359927839 /nfs/dbraw/zinc/92/78/39/359927839.db2.gz BRFHXXGXQDFFJO-UHFFFAOYSA-N 1 3 221.348 1.821 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000578549639 366597739 /nfs/dbraw/zinc/59/77/39/366597739.db2.gz UNPJMOQACMBHGW-LPWJVIDDSA-N 1 3 226.364 1.804 20 0 BDADHO COc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147339 359993078 /nfs/dbraw/zinc/99/30/78/359993078.db2.gz OLFGNJKRKJXQKB-GXTWGEPZSA-N 1 3 234.343 1.912 20 0 BDADHO Cc1cc(CNCC2CC[NH+](C)CC2)n(C)n1 ZINC000089183509 359998033 /nfs/dbraw/zinc/99/80/33/359998033.db2.gz ARFVPMBEGUTTDA-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO COC[C@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000090585451 360078958 /nfs/dbraw/zinc/07/89/58/360078958.db2.gz XSDMVWLOTYMMDP-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585451 360078960 /nfs/dbraw/zinc/07/89/60/360078960.db2.gz XSDMVWLOTYMMDP-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO COC[C@H](C)[NH2+]C[C@H]1CCCN(CC(C)C)C1 ZINC000090585451 360078963 /nfs/dbraw/zinc/07/89/63/360078963.db2.gz XSDMVWLOTYMMDP-UONOGXRCSA-N 1 3 242.407 1.979 20 0 BDADHO CC[C@@H](C)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000093055851 360213623 /nfs/dbraw/zinc/21/36/23/360213623.db2.gz ACRQDLIKISWPEC-CYBMUJFWSA-N 1 3 241.423 1.648 20 0 BDADHO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN[C@H]1C ZINC000629408130 361056126 /nfs/dbraw/zinc/05/61/26/361056126.db2.gz QMICPQXGFWOAMU-NTZNESFSSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1cc(F)ccc1CNCCOCCC[NH3+] ZINC000629398943 361046981 /nfs/dbraw/zinc/04/69/81/361046981.db2.gz KABYCUWXJQJILT-UHFFFAOYSA-N 1 3 240.322 1.589 20 0 BDADHO [NH3+]CCCOCCNCc1ccccc1Cl ZINC000629397750 361047715 /nfs/dbraw/zinc/04/77/15/361047715.db2.gz CIHJZWGHMDXBQU-UHFFFAOYSA-N 1 3 242.750 1.795 20 0 BDADHO CCc1ncc(CNCCOCCC[NH3+])s1 ZINC000629399143 361048658 /nfs/dbraw/zinc/04/86/58/361048658.db2.gz MNXUUQIQPDFINQ-UHFFFAOYSA-N 1 3 243.376 1.161 20 0 BDADHO Cc1cc(CNCCOCCC[NH3+])c(C)s1 ZINC000629398354 361049033 /nfs/dbraw/zinc/04/90/33/361049033.db2.gz BSWONSOTSZRVQL-UHFFFAOYSA-N 1 3 242.388 1.820 20 0 BDADHO CCCC[C@H](COC)NCC1([NH3+])CCOCC1 ZINC000629521394 361117763 /nfs/dbraw/zinc/11/77/63/361117763.db2.gz OUFPUFUNRWHPNU-GFCCVEGCSA-N 1 3 244.379 1.289 20 0 BDADHO CCO[C@H](CN1CCC[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000629515950 361110340 /nfs/dbraw/zinc/11/03/40/361110340.db2.gz WQKCURUHOVFGIP-MRVWCRGKSA-N 1 3 240.391 1.861 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@H](C)C1CCOCC1 ZINC000629526181 361128367 /nfs/dbraw/zinc/12/83/67/361128367.db2.gz MKMXXDORQKJTJV-KGYLQXTDSA-N 1 3 226.364 1.532 20 0 BDADHO CC[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000629528457 361136601 /nfs/dbraw/zinc/13/66/01/361136601.db2.gz ZPIQQDHNXRCKAF-IGQOVBAYSA-N 1 3 240.391 1.922 20 0 BDADHO C[NH2+]CCOCCN[C@H](C)c1ccc(C)cc1 ZINC000629529183 361138257 /nfs/dbraw/zinc/13/82/57/361138257.db2.gz UQZXBQMPAIKFJY-CYBMUJFWSA-N 1 3 236.359 1.882 20 0 BDADHO CC[C@H](NCCOCC[NH2+]C)c1ccncc1 ZINC000629530316 361144462 /nfs/dbraw/zinc/14/44/62/361144462.db2.gz CJBZQPWGBQNSES-ZDUSSCGKSA-N 1 3 237.347 1.358 20 0 BDADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)N(CC)CC ZINC000429220710 201081075 /nfs/dbraw/zinc/08/10/75/201081075.db2.gz HLMXVKYWFXYIDV-RYUDHWBXSA-N 1 3 243.395 1.079 20 0 BDADHO [NH3+]C1(CNCCCOCC(F)(F)F)CCC1 ZINC000342121838 181332654 /nfs/dbraw/zinc/33/26/54/181332654.db2.gz GWLWXZHHXWXWMZ-UHFFFAOYSA-N 1 3 240.269 1.426 20 0 BDADHO C[C@H](O)CCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000429560505 201114427 /nfs/dbraw/zinc/11/44/27/201114427.db2.gz ZHVXYBQCALZFQP-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429560505 201114431 /nfs/dbraw/zinc/11/44/31/201114431.db2.gz ZHVXYBQCALZFQP-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H](O)CCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429560505 201114434 /nfs/dbraw/zinc/11/44/34/201114434.db2.gz ZHVXYBQCALZFQP-QWHCGFSZSA-N 1 3 228.380 1.564 20 0 BDADHO C[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1CCCCN1 ZINC000629545828 361426942 /nfs/dbraw/zinc/42/69/42/361426942.db2.gz CTINFGMDYXOXRH-PYJNHQTQSA-N 1 3 238.375 1.674 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000629548927 361434330 /nfs/dbraw/zinc/43/43/30/361434330.db2.gz OLFZUHWARZYFAK-YVECIDJPSA-N 1 3 224.348 1.413 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000629554619 361437121 /nfs/dbraw/zinc/43/71/21/361437121.db2.gz KVQOJACLCLJAAU-YTWAJWBKSA-N 1 3 200.326 1.127 20 0 BDADHO FCCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000629553191 361437866 /nfs/dbraw/zinc/43/78/66/361437866.db2.gz NLKILTPBWONLSC-UTUOFQBUSA-N 1 3 214.328 1.856 20 0 BDADHO CO[C@H]1C[C@@H](CN[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000629554355 361441932 /nfs/dbraw/zinc/44/19/32/361441932.db2.gz HYHXPJGKRGDGJE-WUHRBBMRSA-N 1 3 226.364 1.532 20 0 BDADHO CCO[C@H](CN1CC[C@@H]([NH3+])C[C@H]1C)C1CC1 ZINC000629550545 361443102 /nfs/dbraw/zinc/44/31/02/361443102.db2.gz ZEMIMVZAXGQMFV-RAIGVLPGSA-N 1 3 226.364 1.613 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000629554502 361443313 /nfs/dbraw/zinc/44/33/13/361443313.db2.gz JXSXJRJQXVERBR-NNYUYHANSA-N 1 3 212.337 1.271 20 0 BDADHO Cc1cccc2c1CC[C@H]2NCCOCCC[NH3+] ZINC000629542263 361419064 /nfs/dbraw/zinc/41/90/64/361419064.db2.gz XGQLADBIUCYYCM-OAHLLOKOSA-N 1 3 248.370 1.937 20 0 BDADHO Cc1cc(CN(C)CCOCC[NH3+])c(C)s1 ZINC000629578178 361465205 /nfs/dbraw/zinc/46/52/05/361465205.db2.gz HJZZQDULGVIQAZ-UHFFFAOYSA-N 1 3 242.388 1.772 20 0 BDADHO FCC[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000629580698 361469114 /nfs/dbraw/zinc/46/91/14/361469114.db2.gz DRCLVUXNQXSOAO-ZDUSSCGKSA-N 1 3 244.354 1.437 20 0 BDADHO CO[C@@H](CN(C)CCOCC[NH3+])C1CCCC1 ZINC000629581202 361471529 /nfs/dbraw/zinc/47/15/29/361471529.db2.gz RHAYYCRHZQCGEL-ZDUSSCGKSA-N 1 3 244.379 1.099 20 0 BDADHO [NH3+]CCOCCN1CCCC(F)(F)CC1 ZINC000629558167 361453089 /nfs/dbraw/zinc/45/30/89/361453089.db2.gz CGWVMCFPOZVPAH-UHFFFAOYSA-N 1 3 222.279 1.083 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CC1=CCCOC1 ZINC000629646806 361535290 /nfs/dbraw/zinc/53/52/90/361535290.db2.gz FDQRENKHNGAKRU-CMPLNLGQSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1=CCCOC1 ZINC000629646806 361535296 /nfs/dbraw/zinc/53/52/96/361535296.db2.gz FDQRENKHNGAKRU-CMPLNLGQSA-N 1 3 210.321 1.002 20 0 BDADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1=CCCOC1 ZINC000629646806 361535302 /nfs/dbraw/zinc/53/53/02/361535302.db2.gz FDQRENKHNGAKRU-CMPLNLGQSA-N 1 3 210.321 1.002 20 0 BDADHO COC1(CN2CCC(C)([NH3+])CC2)CCCC1 ZINC000629647308 361536224 /nfs/dbraw/zinc/53/62/24/361536224.db2.gz QGQXVWSABXQLQD-UHFFFAOYSA-N 1 3 226.364 1.759 20 0 BDADHO COC1(CN2CCC3(CC[NH2+]3)CC2)CCCC1 ZINC000629648087 361538856 /nfs/dbraw/zinc/53/88/56/361538856.db2.gz GYKRGLTUXNKMMG-UHFFFAOYSA-N 1 3 238.375 1.774 20 0 BDADHO C[NH2+]CCCNCC1(OC)CCCC1 ZINC000629647925 361539045 /nfs/dbraw/zinc/53/90/45/361539045.db2.gz KOYIUQPUOSILSY-UHFFFAOYSA-N 1 3 200.326 1.145 20 0 BDADHO CNCCC[NH2+]CC1(OC)CCCC1 ZINC000629647925 361539049 /nfs/dbraw/zinc/53/90/49/361539049.db2.gz KOYIUQPUOSILSY-UHFFFAOYSA-N 1 3 200.326 1.145 20 0 BDADHO C[C@H](C[NH3+])CNCC1=Cc2ccccc2OC1 ZINC000629648103 361539350 /nfs/dbraw/zinc/53/93/50/361539350.db2.gz OJEMDLCFOHLZJI-LLVKDONJSA-N 1 3 232.327 1.647 20 0 BDADHO C[C@H]1CCC[N@H+](CC2=CCCOC2)[C@H]1CCN ZINC000629650554 361547525 /nfs/dbraw/zinc/54/75/25/361547525.db2.gz VYTGZDOGCHKYDS-JSGCOSHPSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@H]1CCC[N@@H+](CC2=CCCOC2)[C@H]1CCN ZINC000629650554 361547528 /nfs/dbraw/zinc/54/75/28/361547528.db2.gz VYTGZDOGCHKYDS-JSGCOSHPSA-N 1 3 238.375 1.782 20 0 BDADHO C[C@H]1CCCN(CC2=CCCOC2)[C@H]1CC[NH3+] ZINC000629650554 361547533 /nfs/dbraw/zinc/54/75/33/361547533.db2.gz VYTGZDOGCHKYDS-JSGCOSHPSA-N 1 3 238.375 1.782 20 0 BDADHO CCC[N@H+](CC1=CCCOC1)C1CCNCC1 ZINC000629652043 361549686 /nfs/dbraw/zinc/54/96/86/361549686.db2.gz UFZJLYXLRPTZDD-UHFFFAOYSA-N 1 3 238.375 1.797 20 0 BDADHO CCC[N@@H+](CC1=CCCOC1)C1CCNCC1 ZINC000629652043 361549692 /nfs/dbraw/zinc/54/96/92/361549692.db2.gz UFZJLYXLRPTZDD-UHFFFAOYSA-N 1 3 238.375 1.797 20 0 BDADHO CCCN(CC1=CCCOC1)C1CC[NH2+]CC1 ZINC000629652043 361549697 /nfs/dbraw/zinc/54/96/97/361549697.db2.gz UFZJLYXLRPTZDD-UHFFFAOYSA-N 1 3 238.375 1.797 20 0 BDADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCSC1 ZINC000629651011 361555834 /nfs/dbraw/zinc/55/58/34/361555834.db2.gz NOIIQGKARIPXQM-WDEREUQCSA-N 1 3 226.389 1.614 20 0 BDADHO C[C@@H]([NH3+])[C@@H]1CCCN(CC2=CCCOC2)C1 ZINC000629651820 361557045 /nfs/dbraw/zinc/55/70/45/361557045.db2.gz KSTXVHOUUANYMK-DGCLKSJQSA-N 1 3 224.348 1.392 20 0 BDADHO C[C@]12C[NH2+]C[C@@]1(C)CN(CC[C@H]1CCOC1)C2 ZINC000629661596 361594433 /nfs/dbraw/zinc/59/44/33/361594433.db2.gz BMXQGJDEHFWWKR-MELADBBJSA-N 1 3 238.375 1.344 20 0 BDADHO CN(CCOCC[NH3+])Cc1coc2ccccc12 ZINC000629664831 361596899 /nfs/dbraw/zinc/59/68/99/361596899.db2.gz SCWGBZDWOYXCPU-UHFFFAOYSA-N 1 3 248.326 1.840 20 0 BDADHO CC[C@H](C)[NH2+]CCCN1CCN(CC)CC1 ZINC000154296399 201273003 /nfs/dbraw/zinc/27/30/03/201273003.db2.gz VXWXIGFDUIJDJY-ZDUSSCGKSA-N 1 3 227.396 1.402 20 0 BDADHO CCN(CCOC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623106 201279202 /nfs/dbraw/zinc/27/92/02/201279202.db2.gz BUNRMZFTNRJROX-ZDUSSCGKSA-N 1 3 228.380 1.875 20 0 BDADHO c1cc2c(c(C3=CC[NH2+]CC3)c1)CNC2 ZINC000629722492 361662681 /nfs/dbraw/zinc/66/26/81/361662681.db2.gz BBNRMNILUPIEJW-UHFFFAOYSA-N 1 3 200.285 1.667 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000438090049 201387989 /nfs/dbraw/zinc/38/79/89/201387989.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000438090049 201387990 /nfs/dbraw/zinc/38/79/90/201387990.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCOC2)C1 ZINC000438090049 201387993 /nfs/dbraw/zinc/38/79/93/201387993.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCOC2)C1 ZINC000438090049 201387995 /nfs/dbraw/zinc/38/79/95/201387995.db2.gz ACUGZUOHKYGAMX-KBPBESRZSA-N 1 3 240.391 1.687 20 0 BDADHO CC(C)[N@H+](C)CCCN[C@H]1CCOC1(C)C ZINC000328263985 363871416 /nfs/dbraw/zinc/87/14/16/363871416.db2.gz SRLONQARLCRWIM-LBPRGKRZSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)[N@@H+](C)CCCN[C@H]1CCOC1(C)C ZINC000328263985 363871420 /nfs/dbraw/zinc/87/14/20/363871420.db2.gz SRLONQARLCRWIM-LBPRGKRZSA-N 1 3 228.380 1.874 20 0 BDADHO CC(C)N(C)CCC[NH2+][C@H]1CCOC1(C)C ZINC000328263985 363871424 /nfs/dbraw/zinc/87/14/24/363871424.db2.gz SRLONQARLCRWIM-LBPRGKRZSA-N 1 3 228.380 1.874 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@](C)(CC)C1 ZINC000573574293 364866096 /nfs/dbraw/zinc/86/60/96/364866096.db2.gz QXCKUYGKNICCPR-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@](C)(CC)C1 ZINC000573574293 364866100 /nfs/dbraw/zinc/86/61/00/364866100.db2.gz QXCKUYGKNICCPR-UONOGXRCSA-N 1 3 242.407 1.811 20 0 BDADHO [NH3+]CCCCN1CCc2sccc2C1 ZINC000020072133 181375955 /nfs/dbraw/zinc/37/59/55/181375955.db2.gz GYIYBZJXVQOJGC-UHFFFAOYSA-N 1 3 210.346 1.845 20 0 BDADHO NCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000037713788 181383452 /nfs/dbraw/zinc/38/34/52/181383452.db2.gz ULNDGTBGXBLEII-ZDUSSCGKSA-N 1 3 204.317 1.482 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ccc(CO)o2)C1 ZINC000655827332 541482468 /nfs/dbraw/zinc/48/24/68/541482468.db2.gz SICOEDRAHRTVSW-PHIMTYICSA-N 1 3 238.331 1.202 20 0 BDADHO COCCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702393 367140788 /nfs/dbraw/zinc/14/07/88/367140788.db2.gz ZRNOQLKCFAGNSP-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO COCCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702393 367140791 /nfs/dbraw/zinc/14/07/91/367140791.db2.gz ZRNOQLKCFAGNSP-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO COCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185702393 367140795 /nfs/dbraw/zinc/14/07/95/367140795.db2.gz ZRNOQLKCFAGNSP-QWHCGFSZSA-N 1 3 240.391 1.875 20 0 BDADHO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000580963631 367220895 /nfs/dbraw/zinc/22/08/95/367220895.db2.gz VDDQLHKLHWDXDE-CHWSQXEVSA-N 1 3 236.363 1.441 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(O)c1 ZINC000383635160 367646317 /nfs/dbraw/zinc/64/63/17/367646317.db2.gz AIQHEYSUTMGFEA-GXTWGEPZSA-N 1 3 234.343 1.999 20 0 BDADHO C[C@H](NCC1(C)CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386058229 367904947 /nfs/dbraw/zinc/90/49/47/367904947.db2.gz WUAJEJOPSZPSTA-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](NCCC1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386067036 367907816 /nfs/dbraw/zinc/90/78/16/367907816.db2.gz YTROQXNWEAALTJ-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[C@H](N[C@H]2CCCOCC2)C[NH2+]1 ZINC000399219215 367908037 /nfs/dbraw/zinc/90/80/37/367908037.db2.gz JZQWGZSWKVCCEK-WOPDTQHZSA-N 1 3 212.337 1.286 20 0 BDADHO C[C@H](NCC[C@@H]1CCOC1)[C@H]1CCCC[NH2+]1 ZINC000386104483 367912629 /nfs/dbraw/zinc/91/26/29/367912629.db2.gz KISCTQCXYBDGDA-YNEHKIRRSA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H](N[C@@H]1CCO[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386136538 367917352 /nfs/dbraw/zinc/91/73/52/367917352.db2.gz PSJWPCNQLTZBIR-XQHKEYJVSA-N 1 3 226.364 1.674 20 0 BDADHO C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CCCCN1 ZINC000386018218 367899281 /nfs/dbraw/zinc/89/92/81/367899281.db2.gz ODGGMAOKXXUTDQ-QWHCGFSZSA-N 1 3 236.363 1.393 20 0 BDADHO C[C@H](NCCCn1ccnc1)[C@H]1CCCC[NH2+]1 ZINC000386018218 367899288 /nfs/dbraw/zinc/89/92/88/367899288.db2.gz ODGGMAOKXXUTDQ-QWHCGFSZSA-N 1 3 236.363 1.393 20 0 BDADHO [NH3+][C@H]1CCC[C@@H](NCCOCC(F)(F)F)C1 ZINC000086404273 368881452 /nfs/dbraw/zinc/88/14/52/368881452.db2.gz FPUISHNPRBJANS-DTWKUNHWSA-N 1 3 240.269 1.425 20 0 BDADHO CC[NH2+]CC1CCN(Cc2nccnc2C)CC1 ZINC000631821604 368973313 /nfs/dbraw/zinc/97/33/13/368973313.db2.gz CTLTUSFJZUOKPQ-UHFFFAOYSA-N 1 3 248.374 1.607 20 0 BDADHO CO[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623808718 368953913 /nfs/dbraw/zinc/95/39/13/368953913.db2.gz ALDXNUPTUNRCHO-FDYHWXHSSA-N 1 3 224.348 1.380 20 0 BDADHO CO[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623808718 368953916 /nfs/dbraw/zinc/95/39/16/368953916.db2.gz ALDXNUPTUNRCHO-FDYHWXHSSA-N 1 3 224.348 1.380 20 0 BDADHO CO[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623808720 368954053 /nfs/dbraw/zinc/95/40/53/368954053.db2.gz ALDXNUPTUNRCHO-RVMXOQNASA-N 1 3 224.348 1.380 20 0 BDADHO CO[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623808720 368954055 /nfs/dbraw/zinc/95/40/55/368954055.db2.gz ALDXNUPTUNRCHO-RVMXOQNASA-N 1 3 224.348 1.380 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)CO1 ZINC000623657770 368998909 /nfs/dbraw/zinc/99/89/09/368998909.db2.gz YRGAZRNQCVHIRL-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657770 368998912 /nfs/dbraw/zinc/99/89/12/368998912.db2.gz YRGAZRNQCVHIRL-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO CC[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657770 368998920 /nfs/dbraw/zinc/99/89/20/368998920.db2.gz YRGAZRNQCVHIRL-BFHYXJOUSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)CO1 ZINC000623657682 368999792 /nfs/dbraw/zinc/99/97/92/368999792.db2.gz WNNUXEHPIZMDFU-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](C)C2)CO1 ZINC000623657682 368999794 /nfs/dbraw/zinc/99/97/94/368999794.db2.gz WNNUXEHPIZMDFU-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)CO1 ZINC000623657682 368999796 /nfs/dbraw/zinc/99/97/96/368999796.db2.gz WNNUXEHPIZMDFU-AGIUHOORSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1CN ZINC000631836573 369077709 /nfs/dbraw/zinc/07/77/09/369077709.db2.gz BRMDMPLBFBSPFJ-XGFWRYKXSA-N 1 3 222.376 1.949 20 0 BDADHO C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@H]1CN ZINC000631836573 369077713 /nfs/dbraw/zinc/07/77/13/369077713.db2.gz BRMDMPLBFBSPFJ-XGFWRYKXSA-N 1 3 222.376 1.949 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000459631823 203323866 /nfs/dbraw/zinc/32/38/66/203323866.db2.gz KSEZDVZKHZGETA-IGQOVBAYSA-N 1 3 238.375 1.770 20 0 BDADHO CCO[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000459631823 203323872 /nfs/dbraw/zinc/32/38/72/203323872.db2.gz KSEZDVZKHZGETA-IGQOVBAYSA-N 1 3 238.375 1.770 20 0 BDADHO Cc1c(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cnn1C ZINC000252854468 370136489 /nfs/dbraw/zinc/13/64/89/370136489.db2.gz JTXDQJSPTCCSSA-UBHSHLNASA-N 1 3 248.374 1.288 20 0 BDADHO C[NH+]1CCC(CCNCc2cn[nH]c2)CC1 ZINC000309980710 370283993 /nfs/dbraw/zinc/28/39/93/370283993.db2.gz WAKLSIXQCJRUSG-UHFFFAOYSA-N 1 3 222.336 1.231 20 0 BDADHO Cc1cc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccn1 ZINC000621774947 370521940 /nfs/dbraw/zinc/52/19/40/370521940.db2.gz BAISFNJJKZPYQI-SOUVJXGZSA-N 1 3 245.370 1.949 20 0 BDADHO Cc1cc(CN2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000621775293 370523078 /nfs/dbraw/zinc/52/30/78/370523078.db2.gz LBEUEAMZUARWOA-CYBMUJFWSA-N 1 3 233.359 1.951 20 0 BDADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCF ZINC000569093430 326389314 /nfs/dbraw/zinc/38/93/14/326389314.db2.gz VIPYLJCLGTWEBZ-WCQYABFASA-N 1 3 224.323 1.894 20 0 BDADHO CC[C@H](COC)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624121036 371321132 /nfs/dbraw/zinc/32/11/32/371321132.db2.gz MGHJDPJMFCWMLI-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CC[C@H](COC)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121036 371321137 /nfs/dbraw/zinc/32/11/37/371321137.db2.gz MGHJDPJMFCWMLI-QWHCGFSZSA-N 1 3 228.380 1.733 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCOCC2)C1 ZINC000624122014 371322785 /nfs/dbraw/zinc/32/27/85/371322785.db2.gz ICDZMPQIUZSIAB-UONOGXRCSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCO1 ZINC000624122410 371322954 /nfs/dbraw/zinc/32/29/54/371322954.db2.gz QQXBFASUGHHXRZ-IHRRRGAJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000624122410 371322956 /nfs/dbraw/zinc/32/29/56/371322956.db2.gz QQXBFASUGHHXRZ-IHRRRGAJSA-N 1 3 240.391 1.875 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631823672 372587565 /nfs/dbraw/zinc/58/75/65/372587565.db2.gz KVZDCBNOLPCBEC-YFKTTZPYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H](N)[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000631823672 372587568 /nfs/dbraw/zinc/58/75/68/372587568.db2.gz KVZDCBNOLPCBEC-YFKTTZPYSA-N 1 3 212.337 1.081 20 0 BDADHO C[C@H]1OCC[C@H]1CN1CCC(C)([NH3+])CC1 ZINC000631824448 372589180 /nfs/dbraw/zinc/58/91/80/372589180.db2.gz GUCANGHXRSVJOQ-MNOVXSKESA-N 1 3 212.337 1.225 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000631827980 372609378 /nfs/dbraw/zinc/60/93/78/372609378.db2.gz BHTGVOBNCRJMJN-BJJPWKGXSA-N 1 3 240.391 1.717 20 0 BDADHO C[C@H]1OCC[C@H]1C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000631827980 372609379 /nfs/dbraw/zinc/60/93/79/372609379.db2.gz BHTGVOBNCRJMJN-BJJPWKGXSA-N 1 3 240.391 1.717 20 0 BDADHO Cc1cnccc1CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837458 372627884 /nfs/dbraw/zinc/62/78/84/372627884.db2.gz SLRPOPNZUSZDBJ-WCQYABFASA-N 1 3 219.332 1.417 20 0 BDADHO Nc1cccc(CN2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889694 372685198 /nfs/dbraw/zinc/68/51/98/372685198.db2.gz LOZCJTGBPAKXPT-ZFWWWQNUSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@@H+]2CCC[C@H]3CNCC[C@@H]32)c1 ZINC000631889694 372685202 /nfs/dbraw/zinc/68/52/02/372685202.db2.gz LOZCJTGBPAKXPT-ZFWWWQNUSA-N 1 3 245.370 1.843 20 0 BDADHO Nc1cccc(C[N@H+]2CCC[C@H]3CNCC[C@@H]32)c1 ZINC000631889694 372685204 /nfs/dbraw/zinc/68/52/04/372685204.db2.gz LOZCJTGBPAKXPT-ZFWWWQNUSA-N 1 3 245.370 1.843 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CCCO)[C@@H](C)C1 ZINC000304429106 170018895 /nfs/dbraw/zinc/01/88/95/170018895.db2.gz MBOCNAUSLMOGIJ-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CCCO)[C@@H](C)C1 ZINC000304429106 170018896 /nfs/dbraw/zinc/01/88/96/170018896.db2.gz MBOCNAUSLMOGIJ-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO CCCN(C)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000352380133 169071854 /nfs/dbraw/zinc/07/18/54/169071854.db2.gz GWOKFDXFJZTBFM-GFCCVEGCSA-N 1 3 243.395 1.175 20 0 BDADHO CCC[NH+]1CCC(NCC[C@H](C)O)CC1 ZINC000082992574 169188520 /nfs/dbraw/zinc/18/85/20/169188520.db2.gz OAPDDKIXWUVEAZ-NSHDSACASA-N 1 3 214.353 1.221 20 0 BDADHO c1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC000038040570 183392910 /nfs/dbraw/zinc/39/29/10/183392910.db2.gz XLNOCLAOGHGUJC-UHFFFAOYSA-N 1 3 204.317 1.571 20 0 BDADHO c1ccc(CCNC2CC[NH2+]CC2)cc1 ZINC000038040570 183392913 /nfs/dbraw/zinc/39/29/13/183392913.db2.gz XLNOCLAOGHGUJC-UHFFFAOYSA-N 1 3 204.317 1.571 20 0 BDADHO CCC[C@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236899545 169502456 /nfs/dbraw/zinc/50/24/56/169502456.db2.gz UYZPWHXFGLZTFT-QWRGUYRKSA-N 1 3 243.395 1.206 20 0 BDADHO CC(C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183868739 134357033 /nfs/dbraw/zinc/35/70/33/134357033.db2.gz KDKAEMHYMARTSQ-WVMKXHBISA-N 1 3 226.364 1.218 20 0 BDADHO CC(C)[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183868739 134357034 /nfs/dbraw/zinc/35/70/34/134357034.db2.gz KDKAEMHYMARTSQ-WVMKXHBISA-N 1 3 226.364 1.218 20 0 BDADHO CO[C@@H](CNC[C@@H]1CC[N@@H+](C(C)C)C1)C1CC1 ZINC000400177319 383826158 /nfs/dbraw/zinc/82/61/58/383826158.db2.gz PRDQSMFVPOPECY-JSGCOSHPSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@@H](CNC[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000400177319 383826165 /nfs/dbraw/zinc/82/61/65/383826165.db2.gz PRDQSMFVPOPECY-JSGCOSHPSA-N 1 3 240.391 1.731 20 0 BDADHO CO[C@@H](C[NH2+]C[C@@H]1CCN(C(C)C)C1)C1CC1 ZINC000400177319 383826174 /nfs/dbraw/zinc/82/61/74/383826174.db2.gz PRDQSMFVPOPECY-JSGCOSHPSA-N 1 3 240.391 1.731 20 0 BDADHO CCC[C@H](C)N1CCC([N@H+](C)CCCO)CC1 ZINC000187691071 383979055 /nfs/dbraw/zinc/97/90/55/383979055.db2.gz DILLHJIDAGKYMU-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@H](C)N1CCC([N@@H+](C)CCCO)CC1 ZINC000187691071 383979057 /nfs/dbraw/zinc/97/90/57/383979057.db2.gz DILLHJIDAGKYMU-ZDUSSCGKSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@@H]([NH3+])C1CCN(CCC(F)(F)F)CC1 ZINC000070911479 383960261 /nfs/dbraw/zinc/96/02/61/383960261.db2.gz ZQWWCAGQUKFESP-MRVPVSSYSA-N 1 3 224.270 1.998 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000401801472 384034806 /nfs/dbraw/zinc/03/48/06/384034806.db2.gz UQHJIHZYRCAPKE-RYUDHWBXSA-N 1 3 214.353 1.485 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)[C@H]1CCCO1 ZINC000643548652 384038869 /nfs/dbraw/zinc/03/88/69/384038869.db2.gz SRHVBAHKHBIEQB-RWMBFGLXSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCO1 ZINC000643548652 384038872 /nfs/dbraw/zinc/03/88/72/384038872.db2.gz SRHVBAHKHBIEQB-RWMBFGLXSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)[C@H]1CCCO1 ZINC000643548654 384039957 /nfs/dbraw/zinc/03/99/57/384039957.db2.gz SRHVBAHKHBIEQB-YNEHKIRRSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCCO1 ZINC000643548654 384039965 /nfs/dbraw/zinc/03/99/65/384039965.db2.gz SRHVBAHKHBIEQB-YNEHKIRRSA-N 1 3 238.375 1.818 20 0 BDADHO COc1ccc(CCN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000163173923 384069383 /nfs/dbraw/zinc/06/93/83/384069383.db2.gz UEDQHKLRBLINOO-TZMCWYRMSA-N 1 3 248.370 1.907 20 0 BDADHO C[C@H](CC[NH+](C)C)N[C@@H]1CCO[C@@H]1C ZINC000227833738 134389759 /nfs/dbraw/zinc/38/97/59/134389759.db2.gz YYTOYVZTUAUONB-GMTAPVOTSA-N 1 3 200.326 1.094 20 0 BDADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CO1 ZINC000401846946 384121038 /nfs/dbraw/zinc/12/10/38/384121038.db2.gz UUOLOCOEYLMSOH-AAGQIVHDSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CO1 ZINC000401846946 384121043 /nfs/dbraw/zinc/12/10/43/384121043.db2.gz UUOLOCOEYLMSOH-AAGQIVHDSA-N 1 3 224.348 1.379 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCN(CCOc2ccccc2)C1 ZINC000163205648 384164773 /nfs/dbraw/zinc/16/47/73/384164773.db2.gz UWJSIAYIXWCVSO-QWHCGFSZSA-N 1 3 234.343 1.735 20 0 BDADHO CC[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809189 384164810 /nfs/dbraw/zinc/16/48/10/384164810.db2.gz UFVIRDAWUUETSN-QWHCGFSZSA-N 1 3 249.358 1.143 20 0 BDADHO C[C@H](CCO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000132552240 384236335 /nfs/dbraw/zinc/23/63/35/384236335.db2.gz QTMYVJQQPASACE-GFCCVEGCSA-N 1 3 249.358 1.411 20 0 BDADHO [NH3+]CC[C@H]1CCCN(Cc2ccncc2)C1 ZINC000069626576 384247498 /nfs/dbraw/zinc/24/74/98/384247498.db2.gz BNGXQTPMSKCKFQ-GFCCVEGCSA-N 1 3 219.332 1.642 20 0 BDADHO Cc1nn(C)cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228535931 384274635 /nfs/dbraw/zinc/27/46/35/384274635.db2.gz HZOTVWLTQGAIMA-IACUBPJLSA-N 1 3 248.374 1.288 20 0 BDADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000237616708 384309117 /nfs/dbraw/zinc/30/91/17/384309117.db2.gz RUBNPIMIOAYDKZ-VXGBXAGGSA-N 1 3 241.379 1.057 20 0 BDADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000332469087 384313780 /nfs/dbraw/zinc/31/37/80/384313780.db2.gz MPLCQGHZNFPEMD-NEPJUHHUSA-N 1 3 226.364 1.399 20 0 BDADHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN)C1(C)C ZINC000300388073 384363829 /nfs/dbraw/zinc/36/38/29/384363829.db2.gz NQRLZTZMHOHKKL-GMTAPVOTSA-N 1 3 214.353 1.374 20 0 BDADHO CC(C)(CCO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000229622912 384396543 /nfs/dbraw/zinc/39/65/43/384396543.db2.gz GRIQLGRTLQTMKY-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO CC(C)(CCO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000229622912 384396546 /nfs/dbraw/zinc/39/65/46/384396546.db2.gz GRIQLGRTLQTMKY-CHWSQXEVSA-N 1 3 240.391 1.611 20 0 BDADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](C)C(C)(C)C1 ZINC000566416520 384413356 /nfs/dbraw/zinc/41/33/56/384413356.db2.gz MOIAQALPSUWGED-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)C(C)(C)C1 ZINC000566416520 384413359 /nfs/dbraw/zinc/41/33/59/384413359.db2.gz MOIAQALPSUWGED-STQMWFEESA-N 1 3 242.407 1.667 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCCN[C@@H]2C)CC1 ZINC000335644705 384418245 /nfs/dbraw/zinc/41/82/45/384418245.db2.gz YEZGSJPSONAFOY-YPMHNXCESA-N 1 3 225.380 1.201 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000335644702 384419566 /nfs/dbraw/zinc/41/95/66/384419566.db2.gz YEZGSJPSONAFOY-AAEUAGOBSA-N 1 3 225.380 1.201 20 0 BDADHO CCOCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084217912 384376845 /nfs/dbraw/zinc/37/68/45/384376845.db2.gz KOJDKZMTTXSZKC-GHMZBOCLSA-N 1 3 200.326 1.130 20 0 BDADHO C1CC([NH+]2CCC(N[C@H]3CCOC3)CC2)C1 ZINC000335607832 384386749 /nfs/dbraw/zinc/38/67/49/384386749.db2.gz LNCBMOINJOGKAH-LBPRGKRZSA-N 1 3 224.348 1.382 20 0 BDADHO CCN(C[C@@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000647513886 384428179 /nfs/dbraw/zinc/42/81/79/384428179.db2.gz NFWMBXGGVCMTOG-STQMWFEESA-N 1 3 226.364 1.344 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000564456828 384428328 /nfs/dbraw/zinc/42/83/28/384428328.db2.gz ZSGTVUCMWVWNBK-UWVGGRQHSA-N 1 3 247.342 1.145 20 0 BDADHO C[C@@]1(CN2CCC[C@@H](CCO)C2)CC[NH2+]C1 ZINC000647515912 384460130 /nfs/dbraw/zinc/46/01/30/384460130.db2.gz ZTZLPFHYKMVAOP-QWHCGFSZSA-N 1 3 226.364 1.080 20 0 BDADHO C[C@@H]1CSC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335660324 384461487 /nfs/dbraw/zinc/46/14/87/384461487.db2.gz CRDMLIOEUPJRPY-ZYHUDNBSSA-N 1 3 226.389 1.589 20 0 BDADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C(C)C ZINC000102478885 384472219 /nfs/dbraw/zinc/47/22/19/384472219.db2.gz OLCJVEQYKIBFHN-UHFFFAOYSA-N 1 3 243.395 1.173 20 0 BDADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C(C)C ZINC000102478885 384472227 /nfs/dbraw/zinc/47/22/27/384472227.db2.gz OLCJVEQYKIBFHN-UHFFFAOYSA-N 1 3 243.395 1.173 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000236713064 384556626 /nfs/dbraw/zinc/55/66/26/384556626.db2.gz OQKSSRZMUJCFNW-NWDGAFQWSA-N 1 3 243.395 1.208 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000236713064 384556633 /nfs/dbraw/zinc/55/66/33/384556633.db2.gz OQKSSRZMUJCFNW-NWDGAFQWSA-N 1 3 243.395 1.208 20 0 BDADHO CC(C)[C@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236784327 384579737 /nfs/dbraw/zinc/57/97/37/384579737.db2.gz PCJVPRNVXWPGBN-MNOVXSKESA-N 1 3 243.395 1.062 20 0 BDADHO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2CN)n1 ZINC000423086250 384565745 /nfs/dbraw/zinc/56/57/45/384565745.db2.gz MRDATPYGRWYDGZ-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccc(CCN[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000423086250 384565750 /nfs/dbraw/zinc/56/57/50/384565750.db2.gz MRDATPYGRWYDGZ-TZMCWYRMSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cccc(CCN[C@H](C)C[C@@H](C)[NH3+])n1 ZINC000423090698 384566787 /nfs/dbraw/zinc/56/67/87/384566787.db2.gz YGIXQSNCALWCDJ-ZYHUDNBSSA-N 1 3 221.348 1.648 20 0 BDADHO Cc1cccc(CC[NH2+][C@H](C)C[C@@H](C)N)n1 ZINC000423090698 384566788 /nfs/dbraw/zinc/56/67/88/384566788.db2.gz YGIXQSNCALWCDJ-ZYHUDNBSSA-N 1 3 221.348 1.648 20 0 BDADHO C[C@@H](C[NH2+]Cc1ccncc1)CN(C)C ZINC000291698640 384567220 /nfs/dbraw/zinc/56/72/20/384567220.db2.gz JZKIIPRARLCJJU-NSHDSACASA-N 1 3 207.321 1.369 20 0 BDADHO CO[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647538541 384668241 /nfs/dbraw/zinc/66/82/41/384668241.db2.gz XCHZEAIXLDRNOK-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H]1CC[C@@H](NC2CCSCC2)C[NH2+]1 ZINC000306686080 384660198 /nfs/dbraw/zinc/66/01/98/384660198.db2.gz JULUPLWTVGSGGB-GXSJLCMTSA-N 1 3 214.378 1.612 20 0 BDADHO CC(F)(F)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000357718275 384682256 /nfs/dbraw/zinc/68/22/56/384682256.db2.gz VIFWQDDOXUISBQ-DTWKUNHWSA-N 1 3 206.280 1.749 20 0 BDADHO CC(F)(F)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000357718275 384682270 /nfs/dbraw/zinc/68/22/70/384682270.db2.gz VIFWQDDOXUISBQ-DTWKUNHWSA-N 1 3 206.280 1.749 20 0 BDADHO COC[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000053172047 384765550 /nfs/dbraw/zinc/76/55/50/384765550.db2.gz BTDLLDDZCVDMKU-SNVBAGLBSA-N 1 3 202.342 1.199 20 0 BDADHO C[C@]1(CNCCOCc2ccccc2)CC[NH2+]C1 ZINC000390028421 384823687 /nfs/dbraw/zinc/82/36/87/384823687.db2.gz WKXXISKZOYJZFN-HNNXBMFYSA-N 1 3 248.370 1.792 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCSC1 ZINC000306617097 384788120 /nfs/dbraw/zinc/78/81/20/384788120.db2.gz QRKAZHKPMHMOIS-HBNTYKKESA-N 1 3 214.378 1.470 20 0 BDADHO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000308538036 384791071 /nfs/dbraw/zinc/79/10/71/384791071.db2.gz GSRJTRQJRYYWKB-GMTAPVOTSA-N 1 3 200.326 1.128 20 0 BDADHO CC[C@H](C)[C@H](C)NC[C@]1(COC)CCC[NH2+]1 ZINC000318834357 384791135 /nfs/dbraw/zinc/79/11/35/384791135.db2.gz AMCDKZHONGXYCH-AVGNSLFASA-N 1 3 228.380 1.779 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H]1NCC1(O)CCCCC1 ZINC000335040215 384814804 /nfs/dbraw/zinc/81/48/04/384814804.db2.gz CNDNDVJDCMPHFT-MNOVXSKESA-N 1 3 212.337 1.151 20 0 BDADHO COCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000423389234 384851253 /nfs/dbraw/zinc/85/12/53/384851253.db2.gz ODIAJXXWABMVJB-QJPTWQEYSA-N 1 3 214.353 1.661 20 0 BDADHO CSCCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061916 384855450 /nfs/dbraw/zinc/85/54/50/384855450.db2.gz VBHXDZSOMXARSU-GHMZBOCLSA-N 1 3 216.394 1.764 20 0 BDADHO CSCCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061916 384855460 /nfs/dbraw/zinc/85/54/60/384855460.db2.gz VBHXDZSOMXARSU-GHMZBOCLSA-N 1 3 216.394 1.764 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2cccn2C)C1 ZINC000175013598 384860434 /nfs/dbraw/zinc/86/04/34/384860434.db2.gz CGLURJJKFRSILV-QWHCGFSZSA-N 1 3 235.375 1.988 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(C3CC3)C2)C1 ZINC000086403757 384869498 /nfs/dbraw/zinc/86/94/98/384869498.db2.gz POWJVUFHJJXYND-IJLUTSLNSA-N 1 3 223.364 1.083 20 0 BDADHO CC1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000233021979 259659465 /nfs/dbraw/zinc/65/94/65/259659465.db2.gz QMQXUEVACWXPQZ-VXGBXAGGSA-N 1 3 226.364 1.663 20 0 BDADHO C(N1CC[C@H](N2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992552 384897733 /nfs/dbraw/zinc/89/77/33/384897733.db2.gz SWLSXXPFEVMZGQ-SLTAFYQDSA-N 1 3 249.402 1.299 20 0 BDADHO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000259214869 384958769 /nfs/dbraw/zinc/95/87/69/384958769.db2.gz XJCYNSHYVGNUHM-STQMWFEESA-N 1 3 220.316 1.665 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN(C)C)CCO1 ZINC000310238947 384923676 /nfs/dbraw/zinc/92/36/76/384923676.db2.gz LFJCDPTYELTWFZ-RDBSUJKOSA-N 1 3 242.407 1.977 20 0 BDADHO C[N@H+](CCCN[C@H]1CCOC1)Cc1ccccc1 ZINC000104063433 384925156 /nfs/dbraw/zinc/92/51/56/384925156.db2.gz HWCPJWLFPNIDIX-HNNXBMFYSA-N 1 3 248.370 1.887 20 0 BDADHO C[N@@H+](CCCN[C@H]1CCOC1)Cc1ccccc1 ZINC000104063433 384925166 /nfs/dbraw/zinc/92/51/66/384925166.db2.gz HWCPJWLFPNIDIX-HNNXBMFYSA-N 1 3 248.370 1.887 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NCCc1ccc(F)c(F)c1 ZINC000258751823 384940054 /nfs/dbraw/zinc/94/00/54/384940054.db2.gz ADFNZPNAWBIPRR-STQMWFEESA-N 1 3 240.297 1.977 20 0 BDADHO Cc1nocc1CNCC1CC[NH+](C)CC1 ZINC000339235493 384976394 /nfs/dbraw/zinc/97/63/94/384976394.db2.gz IQDOQTIXSBDHSF-UHFFFAOYSA-N 1 3 223.320 1.414 20 0 BDADHO Cc1nc(CCN[C@H]2CCC[C@H]2C[NH3+])cs1 ZINC000226324266 384978308 /nfs/dbraw/zinc/97/83/08/384978308.db2.gz GSEMUAPLLRXNKS-JQWIXIFHSA-N 1 3 239.388 1.711 20 0 BDADHO Cc1nc(CC[NH2+][C@H]2CCC[C@H]2CN)cs1 ZINC000226324266 384978315 /nfs/dbraw/zinc/97/83/15/384978315.db2.gz GSEMUAPLLRXNKS-JQWIXIFHSA-N 1 3 239.388 1.711 20 0 BDADHO CC(C)[C@@H]1CC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000423494611 385001106 /nfs/dbraw/zinc/00/11/06/385001106.db2.gz SIOZZULIONNINA-RWMBFGLXSA-N 1 3 226.364 1.389 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399635 385006889 /nfs/dbraw/zinc/00/68/89/385006889.db2.gz JFMWSKZWXFSPBK-ZWNOBZJWSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399635 385006893 /nfs/dbraw/zinc/00/68/93/385006893.db2.gz JFMWSKZWXFSPBK-ZWNOBZJWSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226399648 385008757 /nfs/dbraw/zinc/00/87/57/385008757.db2.gz JFMWSKZWXFSPBK-GWCFXTLKSA-N 1 3 241.379 1.103 20 0 BDADHO CCC[C@](C)(N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226399648 385008759 /nfs/dbraw/zinc/00/87/59/385008759.db2.gz JFMWSKZWXFSPBK-GWCFXTLKSA-N 1 3 241.379 1.103 20 0 BDADHO [NH3+][C@H]1CCC[C@H](NCCc2cccnc2)C1 ZINC000086403253 385012749 /nfs/dbraw/zinc/01/27/49/385012749.db2.gz JUEFAQSFQTXMDC-STQMWFEESA-N 1 3 219.332 1.484 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000086403253 385012753 /nfs/dbraw/zinc/01/27/53/385012753.db2.gz JUEFAQSFQTXMDC-STQMWFEESA-N 1 3 219.332 1.484 20 0 BDADHO CO[C@@H]1CC[N@H+](C[C@@H](N)CC(C)C)[C@@H](C)C1 ZINC000300930201 385054245 /nfs/dbraw/zinc/05/42/45/385054245.db2.gz QXAYOJNPSRTURZ-RWMBFGLXSA-N 1 3 228.380 1.859 20 0 BDADHO CO[C@@H]1CC[N@@H+](C[C@@H](N)CC(C)C)[C@@H](C)C1 ZINC000300930201 385054246 /nfs/dbraw/zinc/05/42/46/385054246.db2.gz QXAYOJNPSRTURZ-RWMBFGLXSA-N 1 3 228.380 1.859 20 0 BDADHO CC[C@@H](O)CNCC[C@@H](C)[NH+]1CCCCC1 ZINC000644621117 385028537 /nfs/dbraw/zinc/02/85/37/385028537.db2.gz QXKCHCXGGLVLGB-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO CC[C@@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000644621117 385028546 /nfs/dbraw/zinc/02/85/46/385028546.db2.gz QXKCHCXGGLVLGB-CHWSQXEVSA-N 1 3 228.380 1.611 20 0 BDADHO COCCN(C)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000156978730 385029900 /nfs/dbraw/zinc/02/99/00/385029900.db2.gz YGNPKMWBUXLGSF-CYBMUJFWSA-N 1 3 244.379 1.066 20 0 BDADHO COCCN(C)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000156978730 385029904 /nfs/dbraw/zinc/02/99/04/385029904.db2.gz YGNPKMWBUXLGSF-CYBMUJFWSA-N 1 3 244.379 1.066 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647002203 385137000 /nfs/dbraw/zinc/13/70/00/385137000.db2.gz XKXBTNLRYRXIMH-GVXVVHGQSA-N 1 3 241.379 1.090 20 0 BDADHO C1CC12C[C@H]2N[C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370098 385150940 /nfs/dbraw/zinc/15/09/40/385150940.db2.gz CQWAEUVCAKKULF-ZDEQEGDKSA-N 1 3 236.359 1.286 20 0 BDADHO CC(C)(C[N@@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000647481157 385178355 /nfs/dbraw/zinc/17/83/55/385178355.db2.gz IBNCBMWEOGMEQF-CYBMUJFWSA-N 1 3 218.344 1.997 20 0 BDADHO CC(C)(C[N@H+]1CC[C@@H](N)C1)c1ccccc1 ZINC000647481157 385178359 /nfs/dbraw/zinc/17/83/59/385178359.db2.gz IBNCBMWEOGMEQF-CYBMUJFWSA-N 1 3 218.344 1.997 20 0 BDADHO CC(C)[C@@H](CO)[NH2+]CC[C@@H]1CCCN1C ZINC000308850114 385209902 /nfs/dbraw/zinc/20/99/02/385209902.db2.gz NXWSYUHWDHIVPG-NWDGAFQWSA-N 1 3 214.353 1.077 20 0 BDADHO C[C@H](CCC[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000647064695 385210988 /nfs/dbraw/zinc/21/09/88/385210988.db2.gz PVQKFNFGLDTZCN-DGCLKSJQSA-N 1 3 249.358 1.320 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C[C@@H]1CN ZINC000164658510 385223316 /nfs/dbraw/zinc/22/33/16/385223316.db2.gz NPILWZJRIFCJCP-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1CN ZINC000164658510 385223319 /nfs/dbraw/zinc/22/33/19/385223319.db2.gz NPILWZJRIFCJCP-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1CCN(CC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000164658510 385223324 /nfs/dbraw/zinc/22/33/24/385223324.db2.gz NPILWZJRIFCJCP-AGIUHOORSA-N 1 3 226.364 1.472 20 0 BDADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2c(c1)CNC2 ZINC000647076331 385234289 /nfs/dbraw/zinc/23/42/89/385234289.db2.gz ZKIVUGSNIMPRNC-TVQRCGJNSA-N 1 3 245.326 1.226 20 0 BDADHO CC(C)(C[N@@H+]1CC[C@H](N)C1)c1ccccc1 ZINC000647486927 385247802 /nfs/dbraw/zinc/24/78/02/385247802.db2.gz IBNCBMWEOGMEQF-ZDUSSCGKSA-N 1 3 218.344 1.997 20 0 BDADHO CC(C)(C[N@H+]1CC[C@H](N)C1)c1ccccc1 ZINC000647486927 385247809 /nfs/dbraw/zinc/24/78/09/385247809.db2.gz IBNCBMWEOGMEQF-ZDUSSCGKSA-N 1 3 218.344 1.997 20 0 BDADHO C[C@H](N)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166742756 385278141 /nfs/dbraw/zinc/27/81/41/385278141.db2.gz PESKJIKAHSDKDU-JTQLQIEISA-N 1 3 235.331 1.076 20 0 BDADHO Cc1ccc(O)c(CN2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000228151804 385350063 /nfs/dbraw/zinc/35/00/63/385350063.db2.gz CUHYHOOCBKVKES-WDEREUQCSA-N 1 3 235.331 1.265 20 0 BDADHO CO[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000400168271 385326620 /nfs/dbraw/zinc/32/66/20/385326620.db2.gz MCXUCKVLLWXSAE-BXUZGUMPSA-N 1 3 238.375 1.485 20 0 BDADHO CO[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000400168271 385326624 /nfs/dbraw/zinc/32/66/24/385326624.db2.gz MCXUCKVLLWXSAE-BXUZGUMPSA-N 1 3 238.375 1.485 20 0 BDADHO COC1(CN2CC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000319151419 385551013 /nfs/dbraw/zinc/55/10/13/385551013.db2.gz JMMJKBZBIRNEGJ-CYBMUJFWSA-N 1 3 238.375 1.631 20 0 BDADHO COC(=O)C1CCC([NH2+]C[C@H]2CCCN2)CC1 ZINC000414849178 385626379 /nfs/dbraw/zinc/62/63/79/385626379.db2.gz QZVCPGLSCPGAPK-HTAVTVPLSA-N 1 3 240.347 1.060 20 0 BDADHO CC(C)c1ccc([C@H](N)CN[C@H]2CC[NH2+]C2)cc1 ZINC000414851335 385651649 /nfs/dbraw/zinc/65/16/49/385651649.db2.gz UBEGVIBWKDFRQI-LSDHHAIUSA-N 1 3 247.386 1.761 20 0 BDADHO CCN1CC[C@H]([NH2+]CCCN(C)C)[C@@H](C)C1 ZINC000221705942 385689242 /nfs/dbraw/zinc/68/92/42/385689242.db2.gz WHINNSFCBLSKAR-STQMWFEESA-N 1 3 227.396 1.258 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCOC1 ZINC000309580875 385713512 /nfs/dbraw/zinc/71/35/12/385713512.db2.gz QIGUBWUTYQDRQN-YPMHNXCESA-N 1 3 224.348 1.263 20 0 BDADHO CNCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414856485 385713755 /nfs/dbraw/zinc/71/37/55/385713755.db2.gz ALUHQBLHWUDWMW-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO C[NH2+]CCCN[C@@H]1CCO[C@H](C(C)C)C1 ZINC000414856485 385713757 /nfs/dbraw/zinc/71/37/57/385713757.db2.gz ALUHQBLHWUDWMW-NEPJUHHUSA-N 1 3 214.353 1.389 20 0 BDADHO CCN1CCC([NH2+][C@H]2CCN(C)C[C@@H]2C)CC1 ZINC000128525133 385728518 /nfs/dbraw/zinc/72/85/18/385728518.db2.gz RTSHKKDBNHYXKO-JSGCOSHPSA-N 1 3 239.407 1.401 20 0 BDADHO CNCCC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000414859778 385738453 /nfs/dbraw/zinc/73/84/53/385738453.db2.gz NSZCNFUVNRKEOV-GFCCVEGCSA-N 1 3 228.380 1.638 20 0 BDADHO COC[C@H](CCC[NH3+])NCc1occc1C ZINC000336654761 385741148 /nfs/dbraw/zinc/74/11/48/385741148.db2.gz KHGHWKNQKRGXNM-NSHDSACASA-N 1 3 226.320 1.432 20 0 BDADHO C[NH2+]CCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414860712 385744002 /nfs/dbraw/zinc/74/40/02/385744002.db2.gz QIYZDKXSDGUWNR-QJPTWQEYSA-N 1 3 224.348 1.143 20 0 BDADHO CNCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414860712 385744010 /nfs/dbraw/zinc/74/40/10/385744010.db2.gz QIYZDKXSDGUWNR-QJPTWQEYSA-N 1 3 224.348 1.143 20 0 BDADHO C[NH2+]CCCNCCCc1ccc2c(c1)CCO2 ZINC000414861623 385751465 /nfs/dbraw/zinc/75/14/65/385751465.db2.gz SILQRDMQUGCVNI-UHFFFAOYSA-N 1 3 248.370 1.753 20 0 BDADHO CNCCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000414861623 385751469 /nfs/dbraw/zinc/75/14/69/385751469.db2.gz SILQRDMQUGCVNI-UHFFFAOYSA-N 1 3 248.370 1.753 20 0 BDADHO CCC1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000309619455 385751982 /nfs/dbraw/zinc/75/19/82/385751982.db2.gz CUPZQTZITFTBBC-BPCQOVAHSA-N 1 3 226.364 1.221 20 0 BDADHO C[NH2+]CCCN[C@H](C)Cc1ccccc1F ZINC000414863192 385753539 /nfs/dbraw/zinc/75/35/39/385753539.db2.gz XBFJBOXRMABFAF-LLVKDONJSA-N 1 3 224.323 1.956 20 0 BDADHO CCn1ccc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647799875 385799068 /nfs/dbraw/zinc/79/90/68/385799068.db2.gz RYYWORHIAUISTB-JHJVBQTASA-N 1 3 248.374 1.381 20 0 BDADHO COC[C@H](CC(C)C)[NH2+][C@H]1CCNC[C@H]1C ZINC000414946656 385808949 /nfs/dbraw/zinc/80/89/49/385808949.db2.gz UQBUCIXKCRSAKJ-AGIUHOORSA-N 1 3 228.380 1.635 20 0 BDADHO COC[C@H](CC(C)C)N[C@H]1CC[NH2+]C[C@H]1C ZINC000414946656 385808951 /nfs/dbraw/zinc/80/89/51/385808951.db2.gz UQBUCIXKCRSAKJ-AGIUHOORSA-N 1 3 228.380 1.635 20 0 BDADHO CC[C@H](COC)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414949898 385815511 /nfs/dbraw/zinc/81/55/11/385815511.db2.gz NYUMJTYXCPLBNK-MXWKQRLJSA-N 1 3 200.326 1.142 20 0 BDADHO CC[C@H](COC)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414949898 385815514 /nfs/dbraw/zinc/81/55/14/385815514.db2.gz NYUMJTYXCPLBNK-MXWKQRLJSA-N 1 3 200.326 1.142 20 0 BDADHO CCCC[N@H+](C)CCNC(=O)CN(CC)CC ZINC000112308690 385837652 /nfs/dbraw/zinc/83/76/52/385837652.db2.gz SPGYMURAIPESQX-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO CCCC[N@@H+](C)CCNC(=O)CN(CC)CC ZINC000112308690 385837653 /nfs/dbraw/zinc/83/76/53/385837653.db2.gz SPGYMURAIPESQX-UHFFFAOYSA-N 1 3 243.395 1.176 20 0 BDADHO C[C@@H](C[NH3+])CNCc1ccc2c[nH]nc2c1 ZINC000414871134 385853534 /nfs/dbraw/zinc/85/35/34/385853534.db2.gz DAIRISIRXAKKMS-VIFPVBQESA-N 1 3 218.304 1.247 20 0 BDADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1CCCCO1 ZINC000308880160 385902910 /nfs/dbraw/zinc/90/29/10/385902910.db2.gz VLCJCVCNJPKBNV-RYUDHWBXSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@H](CN)C[NH2+][C@H](C)Cc1ccccc1F ZINC000414876596 385909474 /nfs/dbraw/zinc/90/94/74/385909474.db2.gz LTUDCHJYNZLMRB-GHMZBOCLSA-N 1 3 224.323 1.941 20 0 BDADHO C[C@H](C[NH3+])CN[C@H](C)Cc1ccccc1F ZINC000414876596 385909478 /nfs/dbraw/zinc/90/94/78/385909478.db2.gz LTUDCHJYNZLMRB-GHMZBOCLSA-N 1 3 224.323 1.941 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000335035028 385923094 /nfs/dbraw/zinc/92/30/94/385923094.db2.gz RUKDZSVCYSNGJO-ZIAGYGMSSA-N 1 3 232.327 1.686 20 0 BDADHO C[N@H+](C[C@H](O)CN1CCC(C)(C)CC1)C1CC1 ZINC000336719675 385860211 /nfs/dbraw/zinc/86/02/11/385860211.db2.gz RPLPCNCEAJRLDK-ZDUSSCGKSA-N 1 3 240.391 1.564 20 0 BDADHO C[N@@H+](C[C@H](O)CN1CCC(C)(C)CC1)C1CC1 ZINC000336719675 385860216 /nfs/dbraw/zinc/86/02/16/385860216.db2.gz RPLPCNCEAJRLDK-ZDUSSCGKSA-N 1 3 240.391 1.564 20 0 BDADHO FCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814783 385868271 /nfs/dbraw/zinc/86/82/71/385868271.db2.gz FZHJICTXNGLPFI-UHFFFAOYSA-N 1 3 200.301 1.562 20 0 BDADHO FCCC[N@H+](C1CC1)C1CCNCC1 ZINC000647814783 385868276 /nfs/dbraw/zinc/86/82/76/385868276.db2.gz FZHJICTXNGLPFI-UHFFFAOYSA-N 1 3 200.301 1.562 20 0 BDADHO FCCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814783 385868282 /nfs/dbraw/zinc/86/82/82/385868282.db2.gz FZHJICTXNGLPFI-UHFFFAOYSA-N 1 3 200.301 1.562 20 0 BDADHO Cc1ccc(CNC[C@H](C)C[NH3+])cc1F ZINC000414873741 385880547 /nfs/dbraw/zinc/88/05/47/385880547.db2.gz HWEOCFHANYYFJN-SECBINFHSA-N 1 3 210.296 1.819 20 0 BDADHO C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCNC1 ZINC000335019550 385978221 /nfs/dbraw/zinc/97/82/21/385978221.db2.gz PXNXXJWKVICCLG-NEPJUHHUSA-N 1 3 208.349 1.908 20 0 BDADHO Cc1cc(CNCCC[C@H]2CCC[NH2+]2)nn1C ZINC000414971891 385991710 /nfs/dbraw/zinc/99/17/10/385991710.db2.gz WZLGDIUZXBDSIW-LBPRGKRZSA-N 1 3 236.363 1.350 20 0 BDADHO CC1([NH3+])CCN(CC[C@@H]2CCCCO2)CC1 ZINC000647924094 385939132 /nfs/dbraw/zinc/93/91/32/385939132.db2.gz FAIPRMUIYVSNKW-LBPRGKRZSA-N 1 3 226.364 1.759 20 0 BDADHO CC[NH+](CC)CCCN(C)[C@H]1CCCC[C@H]1O ZINC000338305390 385953558 /nfs/dbraw/zinc/95/35/58/385953558.db2.gz JWWZXQOLDMPPLV-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000338305390 385953563 /nfs/dbraw/zinc/95/35/63/385953563.db2.gz JWWZXQOLDMPPLV-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H]1CCCC[C@H]1O ZINC000338305390 385953567 /nfs/dbraw/zinc/95/35/67/385953567.db2.gz JWWZXQOLDMPPLV-UONOGXRCSA-N 1 3 242.407 1.954 20 0 BDADHO CCC[C@@](C)(N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000295082712 385960082 /nfs/dbraw/zinc/96/00/82/385960082.db2.gz ILMBBZDRUNUBOL-CYBMUJFWSA-N 1 3 235.331 1.601 20 0 BDADHO C[C@@H]([NH3+])CCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000335059889 385961241 /nfs/dbraw/zinc/96/12/41/385961241.db2.gz FZFAOMYVHNQYEG-PWSUYJOCSA-N 1 3 247.342 1.030 20 0 BDADHO CCCC[C@@H](COC)NCC1([NH3+])CCC1 ZINC000414881266 385994229 /nfs/dbraw/zinc/99/42/29/385994229.db2.gz SCZWOGUSYSPPOZ-NSHDSACASA-N 1 3 214.353 1.663 20 0 BDADHO Cn1cnc2cc(C[NH2+]C[C@H](N)C3CC3)ccc21 ZINC000414882152 386004721 /nfs/dbraw/zinc/00/47/21/386004721.db2.gz BQQFYFSERYJEJU-LBPRGKRZSA-N 1 3 244.342 1.400 20 0 BDADHO CC[C@@H](N)C[NH2+]Cc1ccc(OC)cc1 ZINC000414979789 386046305 /nfs/dbraw/zinc/04/63/05/386046305.db2.gz ONXDHNZQIOBCKJ-LLVKDONJSA-N 1 3 208.305 1.522 20 0 BDADHO CCCC[N@H+](CCO)C[C@H](N)CC(C)C ZINC000414663592 386112420 /nfs/dbraw/zinc/11/24/20/386112420.db2.gz BNBRMQVEKPRLTE-GFCCVEGCSA-N 1 3 216.369 1.454 20 0 BDADHO CCCC[N@@H+](CCO)C[C@H](N)CC(C)C ZINC000414663592 386112423 /nfs/dbraw/zinc/11/24/23/386112423.db2.gz BNBRMQVEKPRLTE-GFCCVEGCSA-N 1 3 216.369 1.454 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN(CC(C)(C)O)C1CC1 ZINC000189889602 386113468 /nfs/dbraw/zinc/11/34/68/386113468.db2.gz YIVWIDYWCOJAGT-GFCCVEGCSA-N 1 3 240.391 1.706 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN(CC(C)(C)O)C1CC1 ZINC000189889602 386113474 /nfs/dbraw/zinc/11/34/74/386113474.db2.gz YIVWIDYWCOJAGT-GFCCVEGCSA-N 1 3 240.391 1.706 20 0 BDADHO CCOc1ccc(C[NH2+]C[C@H](N)CC)cc1 ZINC000414986663 386113835 /nfs/dbraw/zinc/11/38/35/386113835.db2.gz YBERNONCKMTWKN-GFCCVEGCSA-N 1 3 222.332 1.912 20 0 BDADHO C[C@@H](CC[NH3+])NCc1ccc(-n2ccnc2)cc1 ZINC000414886365 386074889 /nfs/dbraw/zinc/07/48/89/386074889.db2.gz PVBIXTDWBOCSRG-LBPRGKRZSA-N 1 3 244.342 1.699 20 0 BDADHO [NH3+][C@@H](CN[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000414886728 386078583 /nfs/dbraw/zinc/07/85/83/386078583.db2.gz HWBPSLPCLJOUHF-CABCVRRESA-N 1 3 230.355 1.871 20 0 BDADHO C[C@@H]1CCN(CCC[NH+]2CCCCC2)[C@@H]1CO ZINC000190425694 386179586 /nfs/dbraw/zinc/17/95/86/386179586.db2.gz NYNRJIIERZFAIW-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO CC[C@H]([NH3+])CNC1Cc2ccccc2C1 ZINC000414997093 386189231 /nfs/dbraw/zinc/18/92/31/386189231.db2.gz YSMJKZIFWVITSK-LBPRGKRZSA-N 1 3 204.317 1.481 20 0 BDADHO C[C@@H]1C[C@H](CN2CCOC[C@H]2C2CC2)CC[NH2+]1 ZINC000414700959 386202599 /nfs/dbraw/zinc/20/25/99/386202599.db2.gz KJOHRLCGKPNLHE-BZPMIXESSA-N 1 3 238.375 1.485 20 0 BDADHO C[C@H]([C@@H]1Cc2ccccc2O1)N(C)CCC[NH3+] ZINC000414707659 386219422 /nfs/dbraw/zinc/21/94/22/386219422.db2.gz MZECKIKSLLHUOZ-RISCZKNCSA-N 1 3 234.343 1.659 20 0 BDADHO C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)CCC[NH3+] ZINC000414707657 386219820 /nfs/dbraw/zinc/21/98/20/386219820.db2.gz MZECKIKSLLHUOZ-FZMZJTMJSA-N 1 3 234.343 1.659 20 0 BDADHO COc1ccc(CCN2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000131767774 386221897 /nfs/dbraw/zinc/22/18/97/386221897.db2.gz UYKCOJDKZSGIMB-GXTWGEPZSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000131767774 386221899 /nfs/dbraw/zinc/22/18/99/386221899.db2.gz UYKCOJDKZSGIMB-GXTWGEPZSA-N 1 3 248.370 1.907 20 0 BDADHO COc1ccc(CC[N@H+]2C[C@@H](CN)C[C@@H]2C)cc1 ZINC000131767774 386221903 /nfs/dbraw/zinc/22/19/03/386221903.db2.gz UYKCOJDKZSGIMB-GXTWGEPZSA-N 1 3 248.370 1.907 20 0 BDADHO CC(C)C[C@@H]([NH3+])CNC(C)(C)CCO ZINC000414712039 386227568 /nfs/dbraw/zinc/22/75/68/386227568.db2.gz SEEQZGZBKSCNPR-SNVBAGLBSA-N 1 3 202.342 1.110 20 0 BDADHO CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CN)C2)CCO1 ZINC000347125387 386236745 /nfs/dbraw/zinc/23/67/45/386236745.db2.gz YFPDQGAISILSDJ-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CN)C2)CCO1 ZINC000347125387 386236747 /nfs/dbraw/zinc/23/67/47/386236747.db2.gz YFPDQGAISILSDJ-HZSPNIEDSA-N 1 3 240.391 1.862 20 0 BDADHO Oc1ccc2c(c1)CCN(C[C@@H]1CC[NH2+]C1)CC2 ZINC000647883000 386241579 /nfs/dbraw/zinc/24/15/79/386241579.db2.gz YUVKUIKTSXDWFE-GFCCVEGCSA-N 1 3 246.354 1.402 20 0 BDADHO Cc1ccncc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415003528 386253121 /nfs/dbraw/zinc/25/31/21/386253121.db2.gz GBRQPTAKKJNAIK-LSDHHAIUSA-N 1 3 245.370 1.868 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414997889 386197358 /nfs/dbraw/zinc/19/73/58/386197358.db2.gz ZYVKXENPHOAPCZ-YFKTTZPYSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@H](O)CCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000336663625 386284965 /nfs/dbraw/zinc/28/49/65/386284965.db2.gz CPZMNYRPNJOMGG-RYUDHWBXSA-N 1 3 214.353 1.031 20 0 BDADHO C[C@@H](O)CCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000336663623 386285784 /nfs/dbraw/zinc/28/57/84/386285784.db2.gz CPZMNYRPNJOMGG-NEPJUHHUSA-N 1 3 214.353 1.031 20 0 BDADHO C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@@H]1CC[NH2+]C1 ZINC000414900971 386290827 /nfs/dbraw/zinc/29/08/27/386290827.db2.gz FOUJEODIFJIARY-LPWJVIDDSA-N 1 3 236.359 1.143 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000415003582 386261606 /nfs/dbraw/zinc/26/16/06/386261606.db2.gz PDEJQCCYGDMWQW-GMTAPVOTSA-N 1 3 247.333 1.104 20 0 BDADHO COc1ccc(C[NH2+]C[C@@H](N)C2CC2)cc1 ZINC000414900002 386265413 /nfs/dbraw/zinc/26/54/13/386265413.db2.gz VJCXATMKHCHSGY-CYBMUJFWSA-N 1 3 220.316 1.522 20 0 BDADHO Cc1nccn1CCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428039477 386271147 /nfs/dbraw/zinc/27/11/47/386271147.db2.gz FGLYGPVADCYIQD-ZIAGYGMSSA-N 1 3 248.374 1.265 20 0 BDADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000133949156 386382751 /nfs/dbraw/zinc/38/27/51/386382751.db2.gz ORMBNPHRGQLUEQ-GHMZBOCLSA-N 1 3 249.358 1.670 20 0 BDADHO C[C@H](C[NH2+][C@@H](C)CCN)CC1CCOCC1 ZINC000414902983 386334962 /nfs/dbraw/zinc/33/49/62/386334962.db2.gz ZCPFBVKFSNVCKN-RYUDHWBXSA-N 1 3 228.380 1.766 20 0 BDADHO CCN(CC)CCC[NH2+]C(C)(C)COC ZINC000191782207 386452575 /nfs/dbraw/zinc/45/25/75/386452575.db2.gz YLSWWRACSFHYCR-UHFFFAOYSA-N 1 3 216.369 1.733 20 0 BDADHO CC(C)[C@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336715667 386444127 /nfs/dbraw/zinc/44/41/27/386444127.db2.gz SSJYVZJSKLBXBR-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000336715667 386444129 /nfs/dbraw/zinc/44/41/29/386444129.db2.gz SSJYVZJSKLBXBR-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)[C@H](O)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000336715667 386444134 /nfs/dbraw/zinc/44/41/34/386444134.db2.gz SSJYVZJSKLBXBR-ZIAGYGMSSA-N 1 3 240.391 1.421 20 0 BDADHO CC(C)C[C@@H]1OCCC[C@H]1NC[C@H]1CC[NH2+]C1 ZINC000647992259 386451009 /nfs/dbraw/zinc/45/10/09/386451009.db2.gz YDSSBHHKPOZCPP-MJBXVCDLSA-N 1 3 240.391 1.779 20 0 BDADHO COC[C@@H]1CCCC[N@H+](CCCN)C1 ZINC000414754052 386392112 /nfs/dbraw/zinc/39/21/12/386392112.db2.gz FOGTYWQLMTZVAD-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO COC[C@@H]1CCCC[N@@H+](CCCN)C1 ZINC000414754052 386392115 /nfs/dbraw/zinc/39/21/15/386392115.db2.gz FOGTYWQLMTZVAD-LLVKDONJSA-N 1 3 200.326 1.084 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1CCCO1 ZINC000336732711 386403281 /nfs/dbraw/zinc/40/32/81/386403281.db2.gz FZYTUWRPYOMIOV-DGCLKSJQSA-N 1 3 224.348 1.405 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1nccs1 ZINC000391121251 386410545 /nfs/dbraw/zinc/41/05/45/386410545.db2.gz BJCOWZQQWNUUOV-GHMZBOCLSA-N 1 3 239.388 1.793 20 0 BDADHO Cc1cc(N)cc(C[NH2+][C@@H]2CCC[C@H]2N)c1 ZINC000335365187 386477859 /nfs/dbraw/zinc/47/78/59/386477859.db2.gz ZCSLSGGQAOQCDP-CHWSQXEVSA-N 1 3 219.332 1.547 20 0 BDADHO COc1cccc2c1CC[C@H](N[C@H](C)[C@H](C)[NH3+])C2 ZINC000415011287 386488178 /nfs/dbraw/zinc/48/81/78/386488178.db2.gz HLQQOGSWCYKBFK-LOWVWBTDSA-N 1 3 248.370 1.878 20 0 BDADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000415016980 386502259 /nfs/dbraw/zinc/50/22/59/386502259.db2.gz OUIOXFHLSWZENS-NXEZZACHSA-N 1 3 232.331 1.399 20 0 BDADHO Cc1ccc([O-])c(C[NH2+][C@H](C)CCCC[NH3+])n1 ZINC000415017863 386503346 /nfs/dbraw/zinc/50/33/46/386503346.db2.gz SOQFSXQMKXDKST-SNVBAGLBSA-N 1 3 237.347 1.703 20 0 BDADHO C[C@H](CCN[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000415042816 386530072 /nfs/dbraw/zinc/53/00/72/386530072.db2.gz SWBJRWJOIFHLFT-RZFFKMDDSA-N 1 3 230.355 1.988 20 0 BDADHO COc1c(O)cccc1CN[C@H](C)CCC[NH3+] ZINC000415025887 386513785 /nfs/dbraw/zinc/51/37/85/386513785.db2.gz RYIQMKGGEFOVAZ-SNVBAGLBSA-N 1 3 238.331 1.618 20 0 BDADHO Cc1cn[nH]c1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447202 386515157 /nfs/dbraw/zinc/51/51/57/386515157.db2.gz ABZQENZPWNNTMM-MNOVXSKESA-N 1 3 222.336 1.277 20 0 BDADHO Cc1ccncc1CN(C)CC1CC[NH2+]CC1 ZINC000135501847 386519340 /nfs/dbraw/zinc/51/93/40/386519340.db2.gz KZBNDMJJVTZQCZ-UHFFFAOYSA-N 1 3 233.359 1.821 20 0 BDADHO CCOc1cccc(CN[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000415033146 386521497 /nfs/dbraw/zinc/52/14/97/386521497.db2.gz IQFWMXFNALLKJA-NWDGAFQWSA-N 1 3 249.358 1.697 20 0 BDADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCO ZINC000336780075 386522364 /nfs/dbraw/zinc/52/23/64/386522364.db2.gz QIUADXXNXZEOLU-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]CCO ZINC000336780075 386522368 /nfs/dbraw/zinc/52/23/68/386522368.db2.gz QIUADXXNXZEOLU-CHWSQXEVSA-N 1 3 228.380 1.469 20 0 BDADHO C[C@@H]1OCC[C@]1(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000336780162 386523236 /nfs/dbraw/zinc/52/32/36/386523236.db2.gz QPSFPMYUBBIAGJ-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO C[C@@H]1OCC[C@]1(C)NCC[C@@H]1CCC[N@H+]1C ZINC000336780162 386523239 /nfs/dbraw/zinc/52/32/39/386523239.db2.gz QPSFPMYUBBIAGJ-AVGNSLFASA-N 1 3 226.364 1.628 20 0 BDADHO NC(=O)c1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414798283 386584112 /nfs/dbraw/zinc/58/41/12/386584112.db2.gz QBTFJVIPLGVTBW-OLZOCXBDSA-N 1 3 247.342 1.003 20 0 BDADHO Cc1cccc(CCNC[C@@]2(C)CC[NH2+]C2)n1 ZINC000415100077 386587304 /nfs/dbraw/zinc/58/73/04/386587304.db2.gz GJFARFMWASEHNZ-CQSZACIVSA-N 1 3 233.359 1.522 20 0 BDADHO C[C@]1(CNCCc2cccs2)CC[NH2+]C1 ZINC000415078146 386587421 /nfs/dbraw/zinc/58/74/21/386587421.db2.gz FPXZKRFHHPYECM-GFCCVEGCSA-N 1 3 224.373 1.880 20 0 BDADHO C1CC1[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000415056666 386537497 /nfs/dbraw/zinc/53/74/97/386537497.db2.gz GYIQKMBPLKJSFE-POQQGIQPSA-N 1 3 220.360 1.763 20 0 BDADHO C[C@H](CN)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000335467808 386540490 /nfs/dbraw/zinc/54/04/90/386540490.db2.gz FIRJNQHPFAOAFF-ZWNOBZJWSA-N 1 3 236.384 1.954 20 0 BDADHO CCn1nccc1C[NH2+][C@@H](CN)C1CCCC1 ZINC000415063174 386543551 /nfs/dbraw/zinc/54/35/51/386543551.db2.gz GYDXCEFTWIUXJW-ZDUSSCGKSA-N 1 3 236.363 1.510 20 0 BDADHO C[N@H+](CCCC1CCCCC1)C[C@H](O)CN ZINC000415063533 386545265 /nfs/dbraw/zinc/54/52/65/386545265.db2.gz AAMSISMLHMKEFM-CYBMUJFWSA-N 1 3 228.380 1.598 20 0 BDADHO C[N@@H+](CCCC1CCCCC1)C[C@H](O)CN ZINC000415063533 386545269 /nfs/dbraw/zinc/54/52/69/386545269.db2.gz AAMSISMLHMKEFM-CYBMUJFWSA-N 1 3 228.380 1.598 20 0 BDADHO CN(CCCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000415063533 386545272 /nfs/dbraw/zinc/54/52/72/386545272.db2.gz AAMSISMLHMKEFM-CYBMUJFWSA-N 1 3 228.380 1.598 20 0 BDADHO CCOC[C@@H](C)[NH2+][C@H]1CCCCNC1 ZINC000415067904 386550732 /nfs/dbraw/zinc/55/07/32/386550732.db2.gz LPBORQMXDBIGDQ-MNOVXSKESA-N 1 3 200.326 1.143 20 0 BDADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCNC2CC2)CCO1 ZINC000415070797 386551065 /nfs/dbraw/zinc/55/10/65/386551065.db2.gz RFUZDIWDIZQTDR-KBPBESRZSA-N 1 3 240.391 1.922 20 0 BDADHO CCOC[C@H](C)[NH2+][C@@H]1CCCCNC1 ZINC000415067907 386552820 /nfs/dbraw/zinc/55/28/20/386552820.db2.gz LPBORQMXDBIGDQ-WDEREUQCSA-N 1 3 200.326 1.143 20 0 BDADHO CC[C@@H]1CN(CCCCCOC)CC[C@@H]1[NH3+] ZINC000647936817 386558248 /nfs/dbraw/zinc/55/82/48/386558248.db2.gz LUBLWSUXTWUTMC-OLZOCXBDSA-N 1 3 228.380 1.862 20 0 BDADHO C[C@@H]1CCCC[C@H]1CN(C)C[C@H](O)C[NH3+] ZINC000415072053 386563699 /nfs/dbraw/zinc/56/36/99/386563699.db2.gz VFXHSUYHKDJVSS-GRYCIOLGSA-N 1 3 214.353 1.064 20 0 BDADHO CCN1CCCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000415074622 386566247 /nfs/dbraw/zinc/56/62/47/386566247.db2.gz DAOICYHHHPPGAF-CHWSQXEVSA-N 1 3 225.380 1.202 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+]CC(C)(C)N ZINC000415075422 386569544 /nfs/dbraw/zinc/56/95/44/386569544.db2.gz FGZHTTJDSLZFKJ-LLVKDONJSA-N 1 3 213.369 1.188 20 0 BDADHO CC(C)([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414807436 386619283 /nfs/dbraw/zinc/61/92/83/386619283.db2.gz RHFFULAWFPKIKF-GMTAPVOTSA-N 1 3 224.348 1.271 20 0 BDADHO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C1CNC1 ZINC000335501372 386629710 /nfs/dbraw/zinc/62/97/10/386629710.db2.gz SDFUNDPTNMOICP-PGHLRGPGSA-N 1 3 208.349 1.763 20 0 BDADHO CCC([NH3+])(CC)CNCC(C)(C)COC ZINC000414814021 386637881 /nfs/dbraw/zinc/63/78/81/386637881.db2.gz VAPGSAJHIWVNNC-UHFFFAOYSA-N 1 3 216.369 1.766 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000415082373 386599638 /nfs/dbraw/zinc/59/96/38/386599638.db2.gz OGBYMPZNOKXDQX-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCNCC1 ZINC000415082373 386599642 /nfs/dbraw/zinc/59/96/42/386599642.db2.gz OGBYMPZNOKXDQX-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000414803359 386599907 /nfs/dbraw/zinc/59/99/07/386599907.db2.gz WPFDEPLHROQJER-CHWSQXEVSA-N 1 3 248.374 1.365 20 0 BDADHO Cc1ncccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414803326 386600426 /nfs/dbraw/zinc/60/04/26/386600426.db2.gz NQLOHOBDOAAZAK-OCCSQVGLSA-N 1 3 233.359 1.997 20 0 BDADHO Cc1ncccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414803328 386600729 /nfs/dbraw/zinc/60/07/29/386600729.db2.gz NQLOHOBDOAAZAK-TZMCWYRMSA-N 1 3 233.359 1.997 20 0 BDADHO COC1CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000414803259 386600763 /nfs/dbraw/zinc/60/07/63/386600763.db2.gz NLCXHUVRXKGLRB-IKWCTNDRSA-N 1 3 226.364 1.661 20 0 BDADHO C(N[C@H]1CCCC12CCC2)[C@@H]1C[NH2+]CCCO1 ZINC000335487427 386603513 /nfs/dbraw/zinc/60/35/13/386603513.db2.gz JWJMEFRIUYOTTE-STQMWFEESA-N 1 3 238.375 1.677 20 0 BDADHO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000415088204 386607360 /nfs/dbraw/zinc/60/73/60/386607360.db2.gz UYFCAHAUMCBDIG-LOWDOPEQSA-N 1 3 226.364 1.532 20 0 BDADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)[C@@H]1CCCO1 ZINC000415088204 386607370 /nfs/dbraw/zinc/60/73/70/386607370.db2.gz UYFCAHAUMCBDIG-LOWDOPEQSA-N 1 3 226.364 1.532 20 0 BDADHO Cc1ccc(C[C@H](CO)[NH2+]CC(C)(C)N)cc1 ZINC000415106804 386617385 /nfs/dbraw/zinc/61/73/85/386617385.db2.gz ODSQWDWMASKCHW-CYBMUJFWSA-N 1 3 236.359 1.225 20 0 BDADHO COC(=O)C1(CN[C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415108899 386617429 /nfs/dbraw/zinc/61/74/29/386617429.db2.gz QVMYYOFKQKJCCW-QWRGUYRKSA-N 1 3 240.347 1.060 20 0 BDADHO Cc1c[nH+]ccc1N1CCCN([C@@H](C)CO)CC1 ZINC000366513273 386667920 /nfs/dbraw/zinc/66/79/20/386667920.db2.gz ZLUPLRNSXZDDQY-ZDUSSCGKSA-N 1 3 249.358 1.283 20 0 BDADHO CC[NH2+][C@H](C)CNC(=O)c1ccc2c(c1)CNC2 ZINC000520404782 386668785 /nfs/dbraw/zinc/66/87/85/386668785.db2.gz RSCMQJZXMMRAEU-SNVBAGLBSA-N 1 3 247.342 1.018 20 0 BDADHO CC[C@H](COC)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826844 386687789 /nfs/dbraw/zinc/68/77/89/386687789.db2.gz WTRUQBCXLKRELV-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO CC[C@H](COC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000414826844 386687793 /nfs/dbraw/zinc/68/77/93/386687793.db2.gz WTRUQBCXLKRELV-GRYCIOLGSA-N 1 3 214.353 1.389 20 0 BDADHO C[N@H+](CCCF)CCCN1CCCC1 ZINC000337282023 386698452 /nfs/dbraw/zinc/69/84/52/386698452.db2.gz WXQDKBWGXKHPRJ-UHFFFAOYSA-N 1 3 202.317 1.764 20 0 BDADHO C[N@@H+](CCCF)CCCN1CCCC1 ZINC000337282023 386698459 /nfs/dbraw/zinc/69/84/59/386698459.db2.gz WXQDKBWGXKHPRJ-UHFFFAOYSA-N 1 3 202.317 1.764 20 0 BDADHO CC(C)OCC(C)(C)NC[C@H]1CCC[NH2+]C1 ZINC000396411904 386738137 /nfs/dbraw/zinc/73/81/37/386738137.db2.gz GWKHXMTZXMJICN-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)OCC(C)(C)[NH2+]C[C@H]1CCCNC1 ZINC000396411904 386738142 /nfs/dbraw/zinc/73/81/42/386738142.db2.gz GWKHXMTZXMJICN-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO Cc1ccc(CCC[N@@H+]2C[C@H](N)[C@@H](C)C2)cn1 ZINC000340690323 386713272 /nfs/dbraw/zinc/71/32/72/386713272.db2.gz KZVFFXKSFQVWME-FZMZJTMJSA-N 1 3 233.359 1.602 20 0 BDADHO Cc1ccc(CCC[N@H+]2C[C@H](N)[C@@H](C)C2)cn1 ZINC000340690323 386713275 /nfs/dbraw/zinc/71/32/75/386713275.db2.gz KZVFFXKSFQVWME-FZMZJTMJSA-N 1 3 233.359 1.602 20 0 BDADHO CN(C)CCN(C)CCC[NH2+]CC1(C)CC1 ZINC000623087939 386722614 /nfs/dbraw/zinc/72/26/14/386722614.db2.gz PNEQPKLMBIFIJQ-UHFFFAOYSA-N 1 3 227.396 1.260 20 0 BDADHO CNC[C@H](C)C[NH2+]C[C@@H]1CCSC1 ZINC000414835684 386727196 /nfs/dbraw/zinc/72/71/96/386727196.db2.gz HMNQCGQZAZGBBP-UWVGGRQHSA-N 1 3 202.367 1.185 20 0 BDADHO Cn1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1=O ZINC000647964946 386747746 /nfs/dbraw/zinc/74/77/46/386747746.db2.gz QOEIGAUKYYASED-CYBMUJFWSA-N 1 3 249.358 1.089 20 0 BDADHO CCN1CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@H](C)C1 ZINC000425940118 386753394 /nfs/dbraw/zinc/75/33/94/386753394.db2.gz VXJPTDPYBVOKSK-MCIONIFRSA-N 1 3 241.423 1.504 20 0 BDADHO CCC[C@](C)(N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417840792 386799119 /nfs/dbraw/zinc/79/91/19/386799119.db2.gz SKOUQSUKNFCPMH-AAEUAGOBSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417858236 386805551 /nfs/dbraw/zinc/80/55/51/386805551.db2.gz UWAKKMFHLQMCNF-IJLUTSLNSA-N 1 3 241.379 1.008 20 0 BDADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417864954 386808446 /nfs/dbraw/zinc/80/84/46/386808446.db2.gz BUCZTVJHTCFGGL-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2COC(C)(C)C2)C1 ZINC000417864954 386808452 /nfs/dbraw/zinc/80/84/52/386808452.db2.gz BUCZTVJHTCFGGL-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO CCCN1CC[C@@H](C[NH2+][C@@H]2COC(C)(C)C2)C1 ZINC000417864954 386808457 /nfs/dbraw/zinc/80/84/57/386808457.db2.gz BUCZTVJHTCFGGL-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO Cc1cnc(CNCC2CC[NH+](C)CC2)n1C ZINC000341000573 386813535 /nfs/dbraw/zinc/81/35/35/386813535.db2.gz AAABPQHSMYGJIS-UHFFFAOYSA-N 1 3 236.363 1.160 20 0 BDADHO Cc1ccc(CCCN[C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414935873 386826318 /nfs/dbraw/zinc/82/63/18/386826318.db2.gz UTIKIPYWKOLSDX-WFASDCNBSA-N 1 3 247.386 1.910 20 0 BDADHO COC[C@@]1(CN[C@@H]2CCC(C)(C)C2)CCC[NH2+]1 ZINC000414936669 386838702 /nfs/dbraw/zinc/83/87/02/386838702.db2.gz CEMXRTZASFSVQL-OCCSQVGLSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000414937255 386845571 /nfs/dbraw/zinc/84/55/71/386845571.db2.gz VIWSPWQTTYLDIY-SYQHCUMBSA-N 1 3 240.391 1.778 20 0 BDADHO C[C@@H](C[NH3+])NCCSCc1ccccc1 ZINC000414937574 386848139 /nfs/dbraw/zinc/84/81/39/386848139.db2.gz DDPIPMIYDKSQPA-NSHDSACASA-N 1 3 224.373 1.857 20 0 BDADHO C[C@@H]([NH2+]C1CCSCC1)[C@@H]1CCCNC1 ZINC000334875064 386937118 /nfs/dbraw/zinc/93/71/18/386937118.db2.gz RFHLISLQESGGFQ-GHMZBOCLSA-N 1 3 228.405 1.860 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)nc1 ZINC000358358337 386940618 /nfs/dbraw/zinc/94/06/18/386940618.db2.gz RREUNXDLHWQZLZ-QWHCGFSZSA-N 1 3 248.374 1.257 20 0 BDADHO Cc1cnc(CCN[C@@H]2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000358358337 386940623 /nfs/dbraw/zinc/94/06/23/386940623.db2.gz RREUNXDLHWQZLZ-QWHCGFSZSA-N 1 3 248.374 1.257 20 0 BDADHO Cc1ccsc1C[NH2+]C[C@@H](N)C1CC1 ZINC000399477943 386963413 /nfs/dbraw/zinc/96/34/13/386963413.db2.gz OTLXHQNRRUAPCB-SNVBAGLBSA-N 1 3 210.346 1.883 20 0 BDADHO CO[C@@H]1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000395191313 386979912 /nfs/dbraw/zinc/97/99/12/386979912.db2.gz COVBNHSHWQUBHU-RVMXOQNASA-N 1 3 226.364 1.674 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000332583630 386992442 /nfs/dbraw/zinc/99/24/42/386992442.db2.gz KCWBFXZBLHOQJB-UHTWSYAYSA-N 1 3 248.374 1.374 20 0 BDADHO c1ccc2c(c1)CCN[C@H]2CNC1CC[NH2+]CC1 ZINC000334821313 386949133 /nfs/dbraw/zinc/94/91/33/386949133.db2.gz WFPCGXKCPBYZHU-HNNXBMFYSA-N 1 3 245.370 1.215 20 0 BDADHO CC(C)(CN[C@@H]1CCCCC[C@@H]1[NH3+])C(N)=O ZINC000332058569 386951990 /nfs/dbraw/zinc/95/19/90/386951990.db2.gz XYWBJVYADPOVPA-VHSXEESVSA-N 1 3 227.352 1.797 20 0 BDADHO C[C@@H](N[C@@H]1CC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000333241589 387023373 /nfs/dbraw/zinc/02/33/73/387023373.db2.gz DYVPCAXTRPDTFZ-KXNHARMFSA-N 1 3 239.363 1.811 20 0 BDADHO Cc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)on1 ZINC000334980889 387068673 /nfs/dbraw/zinc/06/86/73/387068673.db2.gz QCLYUTPIYHIILU-QWHCGFSZSA-N 1 3 249.358 1.805 20 0 BDADHO CCN(CC)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000067997906 387097565 /nfs/dbraw/zinc/09/75/65/387097565.db2.gz ZHGSAXMFNHWSEY-UHFFFAOYSA-N 1 3 243.395 1.032 20 0 BDADHO CC1(F)CC([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000335008449 387103318 /nfs/dbraw/zinc/10/33/18/387103318.db2.gz UMJFUBUPLFRMLM-UZEXVOJHSA-N 1 3 214.328 1.984 20 0 BDADHO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1CNC1 ZINC000423301001 387131606 /nfs/dbraw/zinc/13/16/06/387131606.db2.gz GNHLAMLTRSZOFU-XQQFMLRXSA-N 1 3 236.359 1.143 20 0 BDADHO C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1C[NH2+]C1 ZINC000423301001 387131612 /nfs/dbraw/zinc/13/16/12/387131612.db2.gz GNHLAMLTRSZOFU-XQQFMLRXSA-N 1 3 236.359 1.143 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(Cc2cccs2)C1 ZINC000160571909 387105757 /nfs/dbraw/zinc/10/57/57/387105757.db2.gz UIPRNJNAECUJFO-UWVGGRQHSA-N 1 3 210.346 1.917 20 0 BDADHO CC(C)[C@]1(C)C[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000397243691 387109117 /nfs/dbraw/zinc/10/91/17/387109117.db2.gz SNWCORYAFJBABM-RDBSUJKOSA-N 1 3 240.391 1.466 20 0 BDADHO CC(C)[C@]1(C)C[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397243691 387109121 /nfs/dbraw/zinc/10/91/21/387109121.db2.gz SNWCORYAFJBABM-RDBSUJKOSA-N 1 3 240.391 1.466 20 0 BDADHO N[C@H]1C[C@H]([NH2+]CC2(O)CCC2)c2ccccc21 ZINC000127378663 387117053 /nfs/dbraw/zinc/11/70/53/387117053.db2.gz ADOUCQHLODLELW-STQMWFEESA-N 1 3 232.327 1.636 20 0 BDADHO C[C@@H]1[C@H](NCC2C[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423305554 387142158 /nfs/dbraw/zinc/14/21/58/387142158.db2.gz RDNHVXJRWKJIRG-TUKIKUTGSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@@H]1[C@H]([NH2+]CC2CNC2)C[C@@H]1c1ccccc1 ZINC000423305554 387142163 /nfs/dbraw/zinc/14/21/63/387142163.db2.gz RDNHVXJRWKJIRG-TUKIKUTGSA-N 1 3 230.355 1.988 20 0 BDADHO CCC[NH2+]CCN[C@H]1CCCC12CCOCC2 ZINC000423309334 387145311 /nfs/dbraw/zinc/14/53/11/387145311.db2.gz LCHKREUSKBWUAP-ZDUSSCGKSA-N 1 3 240.391 1.925 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423310251 387146031 /nfs/dbraw/zinc/14/60/31/387146031.db2.gz ROAQLYXUYJCQST-ZOBORPQBSA-N 1 3 240.391 1.766 20 0 BDADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN)C12CCC2 ZINC000423309221 387146780 /nfs/dbraw/zinc/14/67/80/387146780.db2.gz PWGYTUMMMXUOCA-SDDRHHMPSA-N 1 3 226.364 1.519 20 0 BDADHO CCC[NH2+]CCN[C@@H](CC)[C@H]1CCOC1 ZINC000423312369 387148250 /nfs/dbraw/zinc/14/82/50/387148250.db2.gz RRHLXEUIAQMLKN-RYUDHWBXSA-N 1 3 214.353 1.391 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)C1CCSCC1 ZINC000423310920 387149437 /nfs/dbraw/zinc/14/94/37/387149437.db2.gz SPLZNCOGZIKXDQ-UWVGGRQHSA-N 1 3 216.394 1.703 20 0 BDADHO C[C@H](CC(N)=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120022254 387150742 /nfs/dbraw/zinc/15/07/42/387150742.db2.gz MOHMDXLHPUYDPL-SECBINFHSA-N 1 3 241.379 1.149 20 0 BDADHO C[C@H](CC(N)=O)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000120022254 387150747 /nfs/dbraw/zinc/15/07/47/387150747.db2.gz MOHMDXLHPUYDPL-SECBINFHSA-N 1 3 241.379 1.149 20 0 BDADHO C([NH2+][C@H](C1CC1)C1CCCC1)C1CNC1 ZINC000423313627 387152030 /nfs/dbraw/zinc/15/20/30/387152030.db2.gz FZBINRYSAUAOHO-ZDUSSCGKSA-N 1 3 208.349 1.764 20 0 BDADHO Cc1ccncc1[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423315244 387153603 /nfs/dbraw/zinc/15/36/03/387153603.db2.gz ZIINERSGNHFCLY-ONGXEEELSA-N 1 3 207.321 1.635 20 0 BDADHO CC1(C)[C@H](NCC2([NH3+])CCC2)[C@H]2CCCO[C@@H]21 ZINC000423315954 387157283 /nfs/dbraw/zinc/15/72/83/387157283.db2.gz BHSHXVRINXLDOX-UTUOFQBUSA-N 1 3 238.375 1.661 20 0 BDADHO Cc1nccnc1[C@@H](C)NCC1(C)CC[NH2+]CC1 ZINC000423327651 387170389 /nfs/dbraw/zinc/17/03/89/387170389.db2.gz LNRWIULXMGPSBF-GFCCVEGCSA-N 1 3 248.374 1.825 20 0 BDADHO CCO[C@@H]1C[C@@H](N[C@H](C)C[NH3+])C12CCCC2 ZINC000423327530 387171044 /nfs/dbraw/zinc/17/10/44/387171044.db2.gz NJLTZGNLRMHOSQ-IJLUTSLNSA-N 1 3 226.364 1.661 20 0 BDADHO CO[C@@H]1C[C@@H](NCCC[NH2+]C(C)C)C12CCC2 ZINC000571789128 387171986 /nfs/dbraw/zinc/17/19/86/387171986.db2.gz MXWVSLSONAFXRM-CHWSQXEVSA-N 1 3 240.391 1.922 20 0 BDADHO COC[C@@H](NCC1([NH3+])CCC1)C1CCCC1 ZINC000423338328 387187534 /nfs/dbraw/zinc/18/75/34/387187534.db2.gz WBSGRYLIYSWEBZ-GFCCVEGCSA-N 1 3 226.364 1.663 20 0 BDADHO CC(C)[C@@H](Cn1cccn1)NC[C@@H]([NH3+])C1CC1 ZINC000423338326 387188716 /nfs/dbraw/zinc/18/87/16/387188716.db2.gz YUUFLJSGGQIOAO-CHWSQXEVSA-N 1 3 236.363 1.235 20 0 BDADHO CCCCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301999 387188990 /nfs/dbraw/zinc/18/89/90/387188990.db2.gz XGVPZUJKJLHMQC-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H](C[NH3+])CN[C@@H](C)CC(=O)Nc1ccccc1 ZINC000423301480 387134182 /nfs/dbraw/zinc/13/41/82/387134182.db2.gz TWGNDMZAFSYMDK-RYUDHWBXSA-N 1 3 249.358 1.588 20 0 BDADHO C[C@@H](CN)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000423301480 387134187 /nfs/dbraw/zinc/13/41/87/387134187.db2.gz TWGNDMZAFSYMDK-RYUDHWBXSA-N 1 3 249.358 1.588 20 0 BDADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CNC2)cc1 ZINC000423302850 387135446 /nfs/dbraw/zinc/13/54/46/387135446.db2.gz KSVPUQPVRHJMTL-RYUDHWBXSA-N 1 3 248.370 1.996 20 0 BDADHO COc1ccc([C@@H](C)[C@H](C)NCC2C[NH2+]C2)cc1 ZINC000423302850 387135449 /nfs/dbraw/zinc/13/54/49/387135449.db2.gz KSVPUQPVRHJMTL-RYUDHWBXSA-N 1 3 248.370 1.996 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)NCC1C[NH2+]C1 ZINC000423303503 387136557 /nfs/dbraw/zinc/13/65/57/387136557.db2.gz LTPFZKGLXWUDKT-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1CNC1 ZINC000423303503 387136560 /nfs/dbraw/zinc/13/65/60/387136560.db2.gz LTPFZKGLXWUDKT-SNVBAGLBSA-N 1 3 222.307 1.566 20 0 BDADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000162021165 387140166 /nfs/dbraw/zinc/14/01/66/387140166.db2.gz IRQJLDCNCCIXDV-GHMZBOCLSA-N 1 3 243.395 1.192 20 0 BDADHO CC[C@H]1C[C@@H](C[NH2+][C@H]2CCNC2)CCO1 ZINC000571940656 387206801 /nfs/dbraw/zinc/20/68/01/387206801.db2.gz YIGZYLQZMDPUTK-SRVKXCTJSA-N 1 3 212.337 1.143 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H](C)C[NH3+])C12CCC2 ZINC000423359175 387209871 /nfs/dbraw/zinc/20/98/71/387209871.db2.gz CTYOPRYSXAKACQ-DCAQKATOSA-N 1 3 212.337 1.271 20 0 BDADHO C[C@@H]1CCC[C@@H]([NH2+]CCOCCN(C)C)[C@H]1C ZINC000300425002 387212581 /nfs/dbraw/zinc/21/25/81/387212581.db2.gz OXEHLQLLBOYZAB-HZSPNIEDSA-N 1 3 242.407 1.979 20 0 BDADHO CCO[C@H]1C[C@H](N[C@@H](C)C[NH3+])C1(CC)CC ZINC000423360677 387213978 /nfs/dbraw/zinc/21/39/78/387213978.db2.gz GDWOLBIZHJALJN-SRVKXCTJSA-N 1 3 228.380 1.907 20 0 BDADHO C[C@@H](CN)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423362875 387215441 /nfs/dbraw/zinc/21/54/41/387215441.db2.gz ILEDWMWURYAKEZ-YDHLFZDLSA-N 1 3 247.386 1.586 20 0 BDADHO C[C@@H](C[NH3+])N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000423362875 387215447 /nfs/dbraw/zinc/21/54/47/387215447.db2.gz ILEDWMWURYAKEZ-YDHLFZDLSA-N 1 3 247.386 1.586 20 0 BDADHO C[NH2+]Cc1cccc(NC(=O)C(C)(C)N)c1 ZINC000572035838 387223590 /nfs/dbraw/zinc/22/35/90/387223590.db2.gz RUDQTQSSOFXZFR-UHFFFAOYSA-N 1 3 221.304 1.082 20 0 BDADHO C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cccc(CO)c1 ZINC000423409320 387246480 /nfs/dbraw/zinc/24/64/80/387246480.db2.gz YRJHVPXGCYJAJV-XUJVJEKNSA-N 1 3 248.370 1.828 20 0 BDADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cn[nH]c1 ZINC000285192421 387249904 /nfs/dbraw/zinc/24/99/04/387249904.db2.gz NRVOWZMMKKORGN-JTQLQIEISA-N 1 3 220.320 1.322 20 0 BDADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cn[nH]c1 ZINC000285192421 387249909 /nfs/dbraw/zinc/24/99/09/387249909.db2.gz NRVOWZMMKKORGN-JTQLQIEISA-N 1 3 220.320 1.322 20 0 BDADHO CC[C@H]([NH2+]C[C@@]1(C)CCCNC1)[C@@H]1CCOC1 ZINC000423344849 387195223 /nfs/dbraw/zinc/19/52/23/387195223.db2.gz YJEOUFFQSKKICF-RDBSUJKOSA-N 1 3 240.391 1.781 20 0 BDADHO CC[C@H]([NH3+])CN[C@H](COC)C1CCCC1 ZINC000423467757 387314382 /nfs/dbraw/zinc/31/43/82/387314382.db2.gz OBBMOHYGLCGLAO-NWDGAFQWSA-N 1 3 214.353 1.519 20 0 BDADHO C[C@@H]1CC[C@@H](C)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423467570 387315456 /nfs/dbraw/zinc/31/54/56/387315456.db2.gz XTSZMUIPCUWLPO-DZDPUUJWSA-N 1 3 208.349 1.619 20 0 BDADHO CC[C@@H]([NH3+])CN[C@H](Cn1cccn1)C(C)C ZINC000423473129 387319310 /nfs/dbraw/zinc/31/93/10/387319310.db2.gz QNVWCNSQYAFAPX-VXGBXAGGSA-N 1 3 224.352 1.235 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C12CCC2 ZINC000423379479 387262297 /nfs/dbraw/zinc/26/22/97/387262297.db2.gz XSXGOUCRDMBCGN-MROQNXINSA-N 1 3 238.375 1.804 20 0 BDADHO CO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C12CCC2 ZINC000423379479 387262300 /nfs/dbraw/zinc/26/23/00/387262300.db2.gz XSXGOUCRDMBCGN-MROQNXINSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)[C@@H](C)O1 ZINC000423382198 387265022 /nfs/dbraw/zinc/26/50/22/387265022.db2.gz ODAITCZMSRPHLS-LZQZFOIKSA-N 1 3 212.337 1.282 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN[C@H](C)C2)[C@@H](C)O1 ZINC000423382198 387265025 /nfs/dbraw/zinc/26/50/25/387265025.db2.gz ODAITCZMSRPHLS-LZQZFOIKSA-N 1 3 212.337 1.282 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H](C)[C@@H]1CCCOC1 ZINC000423384096 387267840 /nfs/dbraw/zinc/26/78/40/387267840.db2.gz PXDQNEMRPWLHCE-IJLUTSLNSA-N 1 3 214.353 1.389 20 0 BDADHO CC[NH2+][C@H](C)CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423385213 387268309 /nfs/dbraw/zinc/26/83/09/387268309.db2.gz QQBNQVDZHPPKJD-UTUOFQBUSA-N 1 3 225.380 1.199 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000423383500 387268472 /nfs/dbraw/zinc/26/84/72/387268472.db2.gz PGPWBMCQLUOPAM-NQBHXWOUSA-N 1 3 225.380 1.057 20 0 BDADHO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)CN ZINC000423385719 387269244 /nfs/dbraw/zinc/26/92/44/387269244.db2.gz GYRHOIVIRQVHOR-QPUJVOFHSA-N 1 3 238.306 1.758 20 0 BDADHO C[C@@H]1C[C@@H](NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423389123 387274028 /nfs/dbraw/zinc/27/40/28/387274028.db2.gz NIEFRMJOMOYQGK-AGIUHOORSA-N 1 3 240.391 1.922 20 0 BDADHO CO[C@@H](C)[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000360430815 387282019 /nfs/dbraw/zinc/28/20/19/387282019.db2.gz YMRRRQJTWVKSAK-NEPJUHHUSA-N 1 3 240.391 1.874 20 0 BDADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC12CCOCC2 ZINC000423395504 387282275 /nfs/dbraw/zinc/28/22/75/387282275.db2.gz SUEFPGNEIJFUCY-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO CSCC1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000423436805 387285794 /nfs/dbraw/zinc/28/57/94/387285794.db2.gz SOJGNVWLSMYZQC-NGEZQELSSA-N 1 3 240.416 1.716 20 0 BDADHO C[NH+](C)C[C@H]1CCN(CCCc2ccncc2)C1 ZINC000360458168 387287993 /nfs/dbraw/zinc/28/79/93/387287993.db2.gz YBQVLPHLBNXFDX-OAHLLOKOSA-N 1 3 247.386 1.898 20 0 BDADHO CC[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423541185 387365642 /nfs/dbraw/zinc/36/56/42/387365642.db2.gz FIRTWWLCBPEPRT-UMSGYPCISA-N 1 3 226.364 1.532 20 0 BDADHO CCN1C[C@H](N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000423542910 387367343 /nfs/dbraw/zinc/36/73/43/387367343.db2.gz BKUZAMIDBJSDFE-XQQFMLRXSA-N 1 3 225.380 1.058 20 0 BDADHO CCN(CC)CCC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000373430793 387367301 /nfs/dbraw/zinc/36/73/01/387367301.db2.gz ILYKGJVBOSRWDI-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO CCN(CC)CCC[N@H+]1CCC[C@](C)(O)CC1 ZINC000373430793 387367305 /nfs/dbraw/zinc/36/73/05/387367305.db2.gz ILYKGJVBOSRWDI-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N)c1 ZINC000515404012 387377622 /nfs/dbraw/zinc/37/76/22/387377622.db2.gz BAHJPRZVEJJVCS-NXEZZACHSA-N 1 3 208.305 1.693 20 0 BDADHO C[C@H](N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643462910 387321234 /nfs/dbraw/zinc/32/12/34/387321234.db2.gz YFGKGOTXMRPPDA-UBHSHLNASA-N 1 3 237.391 1.201 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCN(CC2CC2)C1 ZINC000643462871 387321422 /nfs/dbraw/zinc/32/14/22/387321422.db2.gz PXONHHBTUQVDBE-BNOWGMLFSA-N 1 3 237.391 1.058 20 0 BDADHO CC[C@H]([NH3+])CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000423475182 387322211 /nfs/dbraw/zinc/32/22/11/387322211.db2.gz RSMAMGGZIVFPCY-UMSGYPCISA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCN(CC2CC2)C1 ZINC000643462874 387322154 /nfs/dbraw/zinc/32/21/54/387322154.db2.gz PXONHHBTUQVDBE-XBFCOCLRSA-N 1 3 237.391 1.058 20 0 BDADHO CC(C)(C)[C@@H]1CC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000423491962 387336994 /nfs/dbraw/zinc/33/69/94/387336994.db2.gz KYGAZXUWDFOTIC-JHJVBQTASA-N 1 3 240.391 1.779 20 0 BDADHO CC[C@@H]1CC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000423496782 387338628 /nfs/dbraw/zinc/33/86/28/387338628.db2.gz XQJISWPSZPUENB-GRYCIOLGSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)C1(C)CC1 ZINC000423521514 387353312 /nfs/dbraw/zinc/35/33/12/387353312.db2.gz QXEBFBVRBPCGOG-QWRGUYRKSA-N 1 3 212.337 1.143 20 0 BDADHO CCN(CC)CCC[NH2+][C@@H](CO)C1CCCC1 ZINC000352679008 387434769 /nfs/dbraw/zinc/43/47/69/387434769.db2.gz OROVDJPUGNZXCG-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO CC[NH+](CC)CCCN[C@@H](CO)C1CCCC1 ZINC000352679008 387434776 /nfs/dbraw/zinc/43/47/76/387434776.db2.gz OROVDJPUGNZXCG-AWEZNQCLSA-N 1 3 242.407 1.859 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000304292866 387459464 /nfs/dbraw/zinc/45/94/64/387459464.db2.gz DJOBSGKKXWERSM-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO CCN(CC)C[C@@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000304292866 387459469 /nfs/dbraw/zinc/45/94/69/387459469.db2.gz DJOBSGKKXWERSM-LBPRGKRZSA-N 1 3 228.380 1.421 20 0 BDADHO Cn1cc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)cn1 ZINC000515498319 387390571 /nfs/dbraw/zinc/39/05/71/387390571.db2.gz GQXQLFXHKMAOQS-OLZOCXBDSA-N 1 3 236.363 1.212 20 0 BDADHO Cn1cc(CCCN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000515498319 387390572 /nfs/dbraw/zinc/39/05/72/387390572.db2.gz GQXQLFXHKMAOQS-OLZOCXBDSA-N 1 3 236.363 1.212 20 0 BDADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](N)C2)C[C@H](C)O1 ZINC000572463991 387515727 /nfs/dbraw/zinc/51/57/27/387515727.db2.gz MTLQLNRMAVHJNA-OFTGVCEQSA-N 1 3 226.364 1.802 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)O)[C@@H]1CCCN(C2CCC2)C1 ZINC000192796163 387536646 /nfs/dbraw/zinc/53/66/46/387536646.db2.gz BIOQTTJBFYCJEW-YNEHKIRRSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](NC[C@H](C)O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192796163 387536651 /nfs/dbraw/zinc/53/66/51/387536651.db2.gz BIOQTTJBFYCJEW-YNEHKIRRSA-N 1 3 240.391 1.610 20 0 BDADHO C[C@@H](NC[C@H](C)O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192796163 387536653 /nfs/dbraw/zinc/53/66/53/387536653.db2.gz BIOQTTJBFYCJEW-YNEHKIRRSA-N 1 3 240.391 1.610 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000643470984 387477439 /nfs/dbraw/zinc/47/74/39/387477439.db2.gz DIRPBVWDSLQMJO-IGQOVBAYSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)[C@@H]1CCCN1 ZINC000643471005 387477862 /nfs/dbraw/zinc/47/78/62/387477862.db2.gz JCMPIHOPPVFZLQ-NDBYEHHHSA-N 1 3 226.364 1.268 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000643471221 387479836 /nfs/dbraw/zinc/47/98/36/387479836.db2.gz FNGYGIOXNILQJO-ABXWRUBCSA-N 1 3 240.391 1.515 20 0 BDADHO CC[C@@H](C)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000304496327 387488690 /nfs/dbraw/zinc/48/86/90/387488690.db2.gz CERHYWJVOMMFPP-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO CCC1(O)CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000643474198 387489593 /nfs/dbraw/zinc/48/95/93/387489593.db2.gz NHMKRRRDZUILEO-NELGMTEASA-N 1 3 240.391 1.658 20 0 BDADHO CN(C)CCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000375851003 387587772 /nfs/dbraw/zinc/58/77/72/387587772.db2.gz KJUVZUYVYPQCMD-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO CCCCN(C)CCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422714374 387628580 /nfs/dbraw/zinc/62/85/80/387628580.db2.gz QUURTEDEZQRGOY-KBPBESRZSA-N 1 3 241.423 1.839 20 0 BDADHO CC[C@H](N)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375939944 387596705 /nfs/dbraw/zinc/59/67/05/387596705.db2.gz DNQOJPIDXQNTHA-NSHDSACASA-N 1 3 233.315 1.008 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CN)C1 ZINC000643514788 387599576 /nfs/dbraw/zinc/59/95/76/387599576.db2.gz DQFZNYSBLZVRQO-HBNTYKKESA-N 1 3 200.326 1.128 20 0 BDADHO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CN)C1 ZINC000643514787 387599793 /nfs/dbraw/zinc/59/97/93/387599793.db2.gz DQFZNYSBLZVRQO-GMTAPVOTSA-N 1 3 200.326 1.128 20 0 BDADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000422701026 387615210 /nfs/dbraw/zinc/61/52/10/387615210.db2.gz HWEKKYPFHVFWPT-IKOXMDCHSA-N 1 3 240.391 1.907 20 0 BDADHO COC[C@H](C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422698704 387616146 /nfs/dbraw/zinc/61/61/46/387616146.db2.gz APEIROXVHHAFAO-IJLUTSLNSA-N 1 3 214.353 1.247 20 0 BDADHO COC[C@@H](C)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422699780 387616300 /nfs/dbraw/zinc/61/63/00/387616300.db2.gz FFKBMRBVGSSJLW-SDDRHHMPSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@H](NC[C@@H](O)C1CCCCC1)C1C[NH2+]C1 ZINC000422698665 387616436 /nfs/dbraw/zinc/61/64/36/387616436.db2.gz AKHLNVBIHSGBBF-GXFFZTMASA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)C1CNC1 ZINC000422698665 387616441 /nfs/dbraw/zinc/61/64/41/387616441.db2.gz AKHLNVBIHSGBBF-GXFFZTMASA-N 1 3 226.364 1.125 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCN(C)CC(F)(F)F ZINC000422704029 387619000 /nfs/dbraw/zinc/61/90/00/387619000.db2.gz JPFZNAVKJUZTSF-IUCAKERBSA-N 1 3 241.301 1.196 20 0 BDADHO CCC[C@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422708814 387623014 /nfs/dbraw/zinc/62/30/14/387623014.db2.gz JKQLLKFWCGRKJR-SDDRHHMPSA-N 1 3 214.353 1.125 20 0 BDADHO CCC[C@H](O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422708814 387623017 /nfs/dbraw/zinc/62/30/17/387623017.db2.gz JKQLLKFWCGRKJR-SDDRHHMPSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCNC23CCC3)CCO1 ZINC000527533827 387624852 /nfs/dbraw/zinc/62/48/52/387624852.db2.gz VYQBRXLQBRAFMR-UTUOFQBUSA-N 1 3 224.348 1.428 20 0 BDADHO C1CC2(C1)NCC[C@H]2[NH2+][C@H]1CCCOCC1 ZINC000527533400 387624904 /nfs/dbraw/zinc/62/49/04/387624904.db2.gz VGVAGWOPLSRZCS-NWDGAFQWSA-N 1 3 224.348 1.430 20 0 BDADHO C1CC2(C1)NCC[C@@H]2[NH2+][C@H]1CCCOCC1 ZINC000527533402 387625280 /nfs/dbraw/zinc/62/52/80/387625280.db2.gz VGVAGWOPLSRZCS-RYUDHWBXSA-N 1 3 224.348 1.430 20 0 BDADHO CCC(CC)[C@H](O)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422718873 387630076 /nfs/dbraw/zinc/63/00/76/387630076.db2.gz XXYKPVOMYWLDFR-GRYCIOLGSA-N 1 3 214.353 1.253 20 0 BDADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CC1 ZINC000422726318 387635247 /nfs/dbraw/zinc/63/52/47/387635247.db2.gz DOCAHCWLULISJH-GWCFXTLKSA-N 1 3 204.317 1.697 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@]1(C)CCOC1 ZINC000422736320 387643602 /nfs/dbraw/zinc/64/36/02/387643602.db2.gz VXGBTNLSKIMGIB-GRYCIOLGSA-N 1 3 212.337 1.001 20 0 BDADHO CN(CCC[NH+]1CCCCC1)CC(C)(C)O ZINC000125203289 387645917 /nfs/dbraw/zinc/64/59/17/387645917.db2.gz WTEUJWDUSWEHDL-UHFFFAOYSA-N 1 3 228.380 1.565 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1N)N(C)C ZINC000422738126 387646085 /nfs/dbraw/zinc/64/60/85/387646085.db2.gz JFKKLBQDBMCVRH-IJLUTSLNSA-N 1 3 213.369 1.186 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000422738681 387646364 /nfs/dbraw/zinc/64/63/64/387646364.db2.gz ZCEISWKPFUEFMC-AGIUHOORSA-N 1 3 226.364 1.391 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000422738683 387646426 /nfs/dbraw/zinc/64/64/26/387646426.db2.gz ZCEISWKPFUEFMC-JHJVBQTASA-N 1 3 226.364 1.391 20 0 BDADHO Cc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccn1 ZINC000527637867 387646647 /nfs/dbraw/zinc/64/66/47/387646647.db2.gz QAJTYECQVSVIKW-CQSZACIVSA-N 1 3 245.370 1.964 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1N)c1ccccc1 ZINC000422740630 387649193 /nfs/dbraw/zinc/64/91/93/387649193.db2.gz NWIXSOCALYTKQH-MELADBBJSA-N 1 3 234.343 1.844 20 0 BDADHO CC[C@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430778204 387649714 /nfs/dbraw/zinc/64/97/14/387649714.db2.gz PLMADMFFPHWGDA-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000430778204 387649718 /nfs/dbraw/zinc/64/97/18/387649718.db2.gz PLMADMFFPHWGDA-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CC[C@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422746702 387650792 /nfs/dbraw/zinc/65/07/92/387650792.db2.gz WYOYHQNTXVMIEF-UBHSHLNASA-N 1 3 237.391 1.343 20 0 BDADHO CN(C)C1(C[NH2+][C@H]2CCC[C@H]2N)CCCCC1 ZINC000422754432 387657637 /nfs/dbraw/zinc/65/76/37/387657637.db2.gz JPBQLAYVDAAEJM-OLZOCXBDSA-N 1 3 239.407 1.720 20 0 BDADHO CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2N)CCCCC1 ZINC000422754433 387658351 /nfs/dbraw/zinc/65/83/51/387658351.db2.gz JPBQLAYVDAAEJM-QWHCGFSZSA-N 1 3 239.407 1.720 20 0 BDADHO CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2CNC2)C1 ZINC000422752763 387658527 /nfs/dbraw/zinc/65/85/27/387658527.db2.gz DAOKOYMNBAUWAD-YUSALJHKSA-N 1 3 228.405 1.858 20 0 BDADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)CCC[NH3+] ZINC000430898962 387659508 /nfs/dbraw/zinc/65/95/08/387659508.db2.gz YDJSJHMHSKWIRL-TXEJJXNPSA-N 1 3 241.379 1.104 20 0 BDADHO C[C@H](NC[C@@H](c1ccccc1)N(C)C)C1C[NH2+]C1 ZINC000422756465 387661125 /nfs/dbraw/zinc/66/11/25/387661125.db2.gz LMWRBPVKFHNMNG-WFASDCNBSA-N 1 3 247.386 1.487 20 0 BDADHO COc1ccccc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000422765115 387664872 /nfs/dbraw/zinc/66/48/72/387664872.db2.gz QFGFMYVMPBMPIT-NSHDSACASA-N 1 3 234.343 1.435 20 0 BDADHO COc1ccccc1CC[NH2+][C@@H](C)C1CNC1 ZINC000422765115 387664876 /nfs/dbraw/zinc/66/48/76/387664876.db2.gz QFGFMYVMPBMPIT-NSHDSACASA-N 1 3 234.343 1.435 20 0 BDADHO COc1ccccc1CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422763561 387666538 /nfs/dbraw/zinc/66/65/38/387666538.db2.gz OVNWRXPNZSDWQC-VXGBXAGGSA-N 1 3 236.359 1.953 20 0 BDADHO COc1ccccc1CC[NH2+][C@H](C)C[C@@H](C)N ZINC000422763561 387666543 /nfs/dbraw/zinc/66/65/43/387666543.db2.gz OVNWRXPNZSDWQC-VXGBXAGGSA-N 1 3 236.359 1.953 20 0 BDADHO CCN1CCC[C@H]1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422766500 387668834 /nfs/dbraw/zinc/66/88/34/387668834.db2.gz XLQNYODLPBOUSB-AVGNSLFASA-N 1 3 225.380 1.201 20 0 BDADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CCCC1 ZINC000422770154 387669609 /nfs/dbraw/zinc/66/96/09/387669609.db2.gz UKRATVYCCOXEHR-OLZOCXBDSA-N 1 3 225.380 1.332 20 0 BDADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CCCC1 ZINC000422770154 387669612 /nfs/dbraw/zinc/66/96/12/387669612.db2.gz UKRATVYCCOXEHR-OLZOCXBDSA-N 1 3 225.380 1.332 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCn1cnc2ccccc21 ZINC000422772155 387670847 /nfs/dbraw/zinc/67/08/47/387670847.db2.gz YXGCTWPWRGRIDU-RYUDHWBXSA-N 1 3 246.358 1.752 20 0 BDADHO C[C@H]([NH3+])CCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000422776577 387674854 /nfs/dbraw/zinc/67/48/54/387674854.db2.gz DADGQRHUHCIBCB-JQWIXIFHSA-N 1 3 241.379 1.138 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCOCC1CC1 ZINC000422777576 387675057 /nfs/dbraw/zinc/67/50/57/387675057.db2.gz CKVGEMZRXVQJBZ-DGCLKSJQSA-N 1 3 226.364 1.391 20 0 BDADHO COc1ccc(C)cc1CCN[C@H](C)C1C[NH2+]C1 ZINC000422777005 387675240 /nfs/dbraw/zinc/67/52/40/387675240.db2.gz BOXDTRWSFWXSLF-GFCCVEGCSA-N 1 3 248.370 1.744 20 0 BDADHO COc1ccc(C)cc1CC[NH2+][C@H](C)C1CNC1 ZINC000422777005 387675247 /nfs/dbraw/zinc/67/52/47/387675247.db2.gz BOXDTRWSFWXSLF-GFCCVEGCSA-N 1 3 248.370 1.744 20 0 BDADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)[C@H]1CCOC1 ZINC000422779133 387677051 /nfs/dbraw/zinc/67/70/51/387677051.db2.gz BNARPHNPRRZJLX-RFGFWPKPSA-N 1 3 240.391 1.779 20 0 BDADHO C[C@H]([NH2+]CCCOC1CCCCC1)C1CNC1 ZINC000422779299 387677316 /nfs/dbraw/zinc/67/73/16/387677316.db2.gz FTMUTBKIDGDCAY-LBPRGKRZSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@H](NCCCOC1CCCCC1)C1C[NH2+]C1 ZINC000422779299 387677327 /nfs/dbraw/zinc/67/73/27/387677327.db2.gz FTMUTBKIDGDCAY-LBPRGKRZSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)COCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000422778733 387677550 /nfs/dbraw/zinc/67/75/50/387677550.db2.gz DXPMSUSROBPTGF-RYUDHWBXSA-N 1 3 216.369 1.765 20 0 BDADHO CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2[NH3+])C12CCC2 ZINC000422782857 387681701 /nfs/dbraw/zinc/68/17/01/387681701.db2.gz NLNMAKKDKXKYQW-QNWHQSFQSA-N 1 3 238.375 1.804 20 0 BDADHO COC[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CC1 ZINC000126503549 387686068 /nfs/dbraw/zinc/68/60/68/387686068.db2.gz VUOFUAHCWHLCLA-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO COC[C@@H](NC[C@H](C)C[NH+]1CCCC1)C1CC1 ZINC000126503549 387686075 /nfs/dbraw/zinc/68/60/75/387686075.db2.gz VUOFUAHCWHLCLA-GXTWGEPZSA-N 1 3 240.391 1.733 20 0 BDADHO CCCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422742935 387688870 /nfs/dbraw/zinc/68/88/70/387688870.db2.gz HHLLWBVXVHGDNQ-MGPQQGTHSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCCC[C@H]1C ZINC000422862912 387743671 /nfs/dbraw/zinc/74/36/71/387743671.db2.gz OECOOLQGXNDCLW-MCIONIFRSA-N 1 3 239.407 1.448 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422877135 387756235 /nfs/dbraw/zinc/75/62/35/387756235.db2.gz RBJJWJFLIZZDDN-XWUBHJNHSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422877135 387756239 /nfs/dbraw/zinc/75/62/39/387756239.db2.gz RBJJWJFLIZZDDN-XWUBHJNHSA-N 1 3 237.391 1.057 20 0 BDADHO C[C@H](N[C@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422861061 387744851 /nfs/dbraw/zinc/74/48/51/387744851.db2.gz IWPSFOKHDXQSHP-OWTLIXCDSA-N 1 3 237.391 1.342 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCC[C@H](C)C1 ZINC000422868277 387750547 /nfs/dbraw/zinc/75/05/47/387750547.db2.gz UTCMOWBVFJMMON-RWMBFGLXSA-N 1 3 227.396 1.434 20 0 BDADHO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCCNCC1 ZINC000422899160 387750662 /nfs/dbraw/zinc/75/06/62/387750662.db2.gz GVSNLMOBLCZDRF-AGIUHOORSA-N 1 3 226.364 1.676 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000422873314 387751597 /nfs/dbraw/zinc/75/15/97/387751597.db2.gz KZKOYQCRYSZTAB-MRBYEJRBSA-N 1 3 225.380 1.185 20 0 BDADHO CN(C)Cc1ccccc1C(=O)NCC(C)(C)[NH3+] ZINC000422873852 387753469 /nfs/dbraw/zinc/75/34/69/387753469.db2.gz BMXIKFQTHZYJMZ-UHFFFAOYSA-N 1 3 249.358 1.215 20 0 BDADHO CCSCC[C@@H](C)[NH2+][C@H](C)C1CNC1 ZINC000422804911 387702754 /nfs/dbraw/zinc/70/27/54/387702754.db2.gz IIGPNNVGYGEJFZ-NXEZZACHSA-N 1 3 216.394 1.716 20 0 BDADHO CC(C)C[C@H](CCO)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422802274 387703609 /nfs/dbraw/zinc/70/36/09/387703609.db2.gz DFJCNJNQJMAIQQ-RDBSUJKOSA-N 1 3 242.407 1.619 20 0 BDADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356746703 387713323 /nfs/dbraw/zinc/71/33/23/387713323.db2.gz RJOUPYSNORRCIH-GFCCVEGCSA-N 1 3 243.395 1.172 20 0 BDADHO CC(C)N(C)CC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356746703 387713327 /nfs/dbraw/zinc/71/33/27/387713327.db2.gz RJOUPYSNORRCIH-GFCCVEGCSA-N 1 3 243.395 1.172 20 0 BDADHO CC(C)C[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)N(C)C ZINC000422821649 387717723 /nfs/dbraw/zinc/71/77/23/387717723.db2.gz XRFIBLPGOHNZBG-HZSPNIEDSA-N 1 3 241.423 1.693 20 0 BDADHO CC(C)C[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)N(C)C ZINC000422821651 387718373 /nfs/dbraw/zinc/71/83/73/387718373.db2.gz XRFIBLPGOHNZBG-MELADBBJSA-N 1 3 241.423 1.693 20 0 BDADHO [NH3+][C@@H]1CCC[C@H]1NCCCNc1ccccn1 ZINC000422838788 387728249 /nfs/dbraw/zinc/72/82/49/387728249.db2.gz YBYLWLUFDRDCIJ-VXGBXAGGSA-N 1 3 234.347 1.353 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCCC[C@@H]1C ZINC000422856807 387739855 /nfs/dbraw/zinc/73/98/55/387739855.db2.gz GPHXAMFQOMEBPD-XQQFMLRXSA-N 1 3 227.396 1.576 20 0 BDADHO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000422857807 387740997 /nfs/dbraw/zinc/74/09/97/387740997.db2.gz HXYWABPUPVJNIJ-JHJVBQTASA-N 1 3 225.380 1.188 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1CCCC1 ZINC000422904373 387767633 /nfs/dbraw/zinc/76/76/33/387767633.db2.gz XGHQNYVDGHVBEX-CYZMBNFOSA-N 1 3 226.364 1.519 20 0 BDADHO C[C@H](C[NH3+])CNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000441615190 387772107 /nfs/dbraw/zinc/77/21/07/387772107.db2.gz SOBXYLNRSMSYIS-NQBHXWOUSA-N 1 3 249.358 1.034 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc2c(c1)COC2 ZINC000643529107 387774726 /nfs/dbraw/zinc/77/47/26/387774726.db2.gz VGPGQQPIYADCTG-VHSXEESVSA-N 1 3 220.316 1.715 20 0 BDADHO COc1ccc2c(c1)C[C@@H](NC[C@@H](C)[NH3+])CC2 ZINC000643528146 387775043 /nfs/dbraw/zinc/77/50/43/387775043.db2.gz DNVFMKKALSTLJY-MFKMUULPSA-N 1 3 234.343 1.489 20 0 BDADHO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422921640 387775387 /nfs/dbraw/zinc/77/53/87/387775387.db2.gz OJNVIQBODHQDHY-AVGNSLFASA-N 1 3 242.407 1.761 20 0 BDADHO C[C@H](N[C@@H]1C[C@@H]1Cc1ccccc1)C1C[NH2+]C1 ZINC000422921879 387778020 /nfs/dbraw/zinc/77/80/20/387778020.db2.gz PIYIVVFBJUFPBD-CORIIIEPSA-N 1 3 230.355 1.815 20 0 BDADHO C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)C1CNC1 ZINC000422921879 387778023 /nfs/dbraw/zinc/77/80/23/387778023.db2.gz PIYIVVFBJUFPBD-CORIIIEPSA-N 1 3 230.355 1.815 20 0 BDADHO CC(F)(F)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000357718276 387781392 /nfs/dbraw/zinc/78/13/92/387781392.db2.gz VIFWQDDOXUISBQ-IUCAKERBSA-N 1 3 206.280 1.749 20 0 BDADHO CC(F)(F)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000357718276 387781399 /nfs/dbraw/zinc/78/13/99/387781399.db2.gz VIFWQDDOXUISBQ-IUCAKERBSA-N 1 3 206.280 1.749 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCOCC(F)(F)F ZINC000422931555 387781423 /nfs/dbraw/zinc/78/14/23/387781423.db2.gz XUOCWPFABBTSIQ-HTQZYQBOSA-N 1 3 228.258 1.281 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H]1CCCc2c[nH]nc21 ZINC000422932984 387781777 /nfs/dbraw/zinc/78/17/77/387781777.db2.gz CWRMTUAVRJEYGZ-ZYHUDNBSSA-N 1 3 236.363 1.894 20 0 BDADHO CCC1(CC)[C@@H]([NH2+]C2CCNCC2)C[C@@H]1OC ZINC000422934880 387783404 /nfs/dbraw/zinc/78/34/04/387783404.db2.gz GOQKXDNMOALMKY-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO CCC1(CC)[C@@H](NC2CC[NH2+]CC2)C[C@@H]1OC ZINC000422934880 387783408 /nfs/dbraw/zinc/78/34/08/387783408.db2.gz GOQKXDNMOALMKY-STQMWFEESA-N 1 3 240.391 1.922 20 0 BDADHO CCN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1N ZINC000422902035 387787288 /nfs/dbraw/zinc/78/72/88/387787288.db2.gz COAZESYODFHXKH-AGIUHOORSA-N 1 3 225.380 1.330 20 0 BDADHO CCC[C@](C)(O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422981816 387792903 /nfs/dbraw/zinc/79/29/03/387792903.db2.gz UMVFBJJDEWZMHG-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO CCC[C@](C)(O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422981816 387792907 /nfs/dbraw/zinc/79/29/07/387792907.db2.gz UMVFBJJDEWZMHG-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO CC(C)CC[C@](C)(O)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422983519 387794516 /nfs/dbraw/zinc/79/45/16/387794516.db2.gz ZTQFHDJPWAXFFP-AGIUHOORSA-N 1 3 228.380 1.643 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(CCO)CCC1 ZINC000422989601 387798677 /nfs/dbraw/zinc/79/86/77/387798677.db2.gz LYPUMYBOFIITRO-QWHCGFSZSA-N 1 3 240.391 1.646 20 0 BDADHO C1=CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422993233 387799577 /nfs/dbraw/zinc/79/95/77/387799577.db2.gz RHIREJRFLPWGIY-FKJOKYEKSA-N 1 3 206.333 1.968 20 0 BDADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(CCO)CCC1 ZINC000422994788 387802523 /nfs/dbraw/zinc/80/25/23/387802523.db2.gz WFKTWHRNJMUDAA-OLZOCXBDSA-N 1 3 240.391 1.517 20 0 BDADHO COc1cccc(CC[NH2+][C@H]2CCC[C@H]2CN)n1 ZINC000423001246 387804593 /nfs/dbraw/zinc/80/45/93/387804593.db2.gz DIRYEWOYXIIZGY-AAEUAGOBSA-N 1 3 249.358 1.350 20 0 BDADHO COc1cccc(CCN[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000423001246 387804596 /nfs/dbraw/zinc/80/45/96/387804596.db2.gz DIRYEWOYXIIZGY-AAEUAGOBSA-N 1 3 249.358 1.350 20 0 BDADHO COc1cccc(C[C@H](C)N[C@@H](C)C2C[NH2+]C2)c1 ZINC000422952229 387806890 /nfs/dbraw/zinc/80/68/90/387806890.db2.gz AMKXEKHINKBETA-RYUDHWBXSA-N 1 3 248.370 1.824 20 0 BDADHO COc1cccc(C[C@H](C)[NH2+][C@@H](C)C2CNC2)c1 ZINC000422952229 387806892 /nfs/dbraw/zinc/80/68/92/387806892.db2.gz AMKXEKHINKBETA-RYUDHWBXSA-N 1 3 248.370 1.824 20 0 BDADHO CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@H](C)N ZINC000422954870 387809312 /nfs/dbraw/zinc/80/93/12/387809312.db2.gz IIIQXQVPTLQZHI-RYUDHWBXSA-N 1 3 243.395 1.350 20 0 BDADHO C[C@H]1CN(C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422882303 387757903 /nfs/dbraw/zinc/75/79/03/387757903.db2.gz ZWPKZVNPPSAFJH-YYBQKPNHSA-N 1 3 249.402 1.342 20 0 BDADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H](C)N)cc1 ZINC000643527009 387759217 /nfs/dbraw/zinc/75/92/17/387759217.db2.gz JSCSWZLSKHABCR-VHSXEESVSA-N 1 3 235.331 1.643 20 0 BDADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H](C)N)cc1 ZINC000643527010 387761389 /nfs/dbraw/zinc/76/13/89/387761389.db2.gz JSCSWZLSKHABCR-ZJUUUORDSA-N 1 3 235.331 1.643 20 0 BDADHO CCC(O)(CC)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422972175 387820562 /nfs/dbraw/zinc/82/05/62/387820562.db2.gz KSIGBEMINSCQBX-NEPJUHHUSA-N 1 3 228.380 1.515 20 0 BDADHO CN(C)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000432795370 387822774 /nfs/dbraw/zinc/82/27/74/387822774.db2.gz WLPRXZIGDZLZMW-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000432795370 387822775 /nfs/dbraw/zinc/82/27/75/387822775.db2.gz WLPRXZIGDZLZMW-UONOGXRCSA-N 1 3 240.391 1.829 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H](CCO)c1ccccc1 ZINC000422975274 387822896 /nfs/dbraw/zinc/82/28/96/387822896.db2.gz GJJFHHXMGRXEAG-OUCADQQQSA-N 1 3 236.359 1.826 20 0 BDADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H](C)CCO ZINC000422973981 387823268 /nfs/dbraw/zinc/82/32/68/387823268.db2.gz DBICFAUDRQBHGF-YRGRVCCFSA-N 1 3 236.359 1.305 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)N[C@H](CCO)c1ccccc1 ZINC000422975276 387824089 /nfs/dbraw/zinc/82/40/89/387824089.db2.gz GJJFHHXMGRXEAG-YRGRVCCFSA-N 1 3 236.359 1.826 20 0 BDADHO CCC(O)(CC)CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422974074 387824564 /nfs/dbraw/zinc/82/45/64/387824564.db2.gz QHLJBPVCMPHDJR-FOSCPWQOSA-N 1 3 226.364 1.410 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000423003209 387825312 /nfs/dbraw/zinc/82/53/12/387825312.db2.gz LBNSGFVCELLGCS-XQQFMLRXSA-N 1 3 242.407 1.747 20 0 BDADHO CCCC[C@@H](N)C(=O)N[C@H](C[NH3+])CCCC ZINC000442711680 387826998 /nfs/dbraw/zinc/82/69/98/387826998.db2.gz FBYZIYDMBMHVRG-WDEREUQCSA-N 1 3 229.368 1.138 20 0 BDADHO COc1cccc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)n1 ZINC000423003620 387827024 /nfs/dbraw/zinc/82/70/24/387827024.db2.gz IGZUEUWJEUJNLM-RYUDHWBXSA-N 1 3 249.358 1.220 20 0 BDADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccncc1 ZINC000423007155 387829945 /nfs/dbraw/zinc/82/99/45/387829945.db2.gz QAENYUXSQPBXEA-UONOGXRCSA-N 1 3 233.359 1.874 20 0 BDADHO CCC[C@@H](CCO)CN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423008523 387830861 /nfs/dbraw/zinc/83/08/61/387830861.db2.gz SWYAAAPNFIXKBN-MELADBBJSA-N 1 3 242.407 1.905 20 0 BDADHO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)C[C@H](C)N)C1(C)C ZINC000423011608 387833024 /nfs/dbraw/zinc/83/30/24/387833024.db2.gz BCMUUNBWAJCBQQ-MTVMDMGHSA-N 1 3 228.380 1.761 20 0 BDADHO CC[C@H](CSC)N[C@@H](C)C1C[NH2+]C1 ZINC000423013988 387835545 /nfs/dbraw/zinc/83/55/45/387835545.db2.gz HFQOCWSJQQWTSF-WCBMZHEXSA-N 1 3 202.367 1.326 20 0 BDADHO CC[C@H](CSC)[NH2+][C@@H](C)C1CNC1 ZINC000423013988 387835551 /nfs/dbraw/zinc/83/55/51/387835551.db2.gz HFQOCWSJQQWTSF-WCBMZHEXSA-N 1 3 202.367 1.326 20 0 BDADHO Cc1cnccc1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423014289 387835812 /nfs/dbraw/zinc/83/58/12/387835812.db2.gz OSZAQIPXGLEPNZ-UONOGXRCSA-N 1 3 233.359 1.650 20 0 BDADHO Cc1cncc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000423016266 387839398 /nfs/dbraw/zinc/83/93/98/387839398.db2.gz SOPLCXITTMVFRR-STQMWFEESA-N 1 3 219.332 1.607 20 0 BDADHO C[C@@H](NCC[C@@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423030933 387845994 /nfs/dbraw/zinc/84/59/94/387845994.db2.gz KISCTQCXYBDGDA-UPJWGTAASA-N 1 3 226.364 1.533 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H](CO)CC1CCCC1 ZINC000423032219 387849322 /nfs/dbraw/zinc/84/93/22/387849322.db2.gz XWSQARFRKWMVKL-GVXVVHGQSA-N 1 3 228.380 1.643 20 0 BDADHO Cc1ncc(C[NH2+][C@@H](C)CCCC[NH3+])c(=O)[n-]1 ZINC000423036975 387850646 /nfs/dbraw/zinc/85/06/46/387850646.db2.gz VFCIYHRPDGITRV-VIFPVBQESA-N 1 3 238.335 1.098 20 0 BDADHO CC(C)OCCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000423036249 387850799 /nfs/dbraw/zinc/85/07/99/387850799.db2.gz SVHBYSDHGSQYBQ-NEPJUHHUSA-N 1 3 216.369 1.907 20 0 BDADHO CC1=CCN(CC[NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000423039795 387852719 /nfs/dbraw/zinc/85/27/19/387852719.db2.gz RRKRPCLMBKIGJB-KBPBESRZSA-N 1 3 237.391 1.226 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423038246 387853287 /nfs/dbraw/zinc/85/32/87/387853287.db2.gz ODGQFBPCZNYXMQ-QWRGUYRKSA-N 1 3 216.369 1.765 20 0 BDADHO C[C@@H](CN[C@@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000423048774 387857640 /nfs/dbraw/zinc/85/76/40/387857640.db2.gz ITXIQYPDZKCIJF-DTWKUNHWSA-N 1 3 224.270 1.917 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@H](CO)Cc1ccccc1 ZINC000423056785 387862394 /nfs/dbraw/zinc/86/23/94/387862394.db2.gz GGZRUESVYYMBOJ-SCRDCRAPSA-N 1 3 236.359 1.305 20 0 BDADHO N[C@H]1CCC[C@H]1[NH2+]CCOc1ncccc1F ZINC000423002906 387862620 /nfs/dbraw/zinc/86/26/20/387862620.db2.gz ZUJLYBXLKMPPKE-WDEREUQCSA-N 1 3 239.294 1.069 20 0 BDADHO CO[C@H](C)CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423061528 387864625 /nfs/dbraw/zinc/86/46/25/387864625.db2.gz RCACSCYVTULACC-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO C[C@H]1CC[NH2+]C[C@@H]1NCC1(N(C)C)CCC1 ZINC000423063196 387867964 /nfs/dbraw/zinc/86/79/64/387867964.db2.gz VXVFOPFWRJGLMK-RYUDHWBXSA-N 1 3 225.380 1.058 20 0 BDADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000423066579 387869435 /nfs/dbraw/zinc/86/94/35/387869435.db2.gz XHTWBXCQJCOSIP-KSSYENDESA-N 1 3 226.364 1.517 20 0 BDADHO CCOC1CC(CC[NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000423069753 387871088 /nfs/dbraw/zinc/87/10/88/387871088.db2.gz LZCAIBZLNMKADJ-OKZRHMCRSA-N 1 3 228.380 1.907 20 0 BDADHO CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423070488 387871242 /nfs/dbraw/zinc/87/12/42/387871242.db2.gz CVBYEHVOZLAHST-QJPTWQEYSA-N 1 3 228.380 1.765 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2ccccn2)C1 ZINC000422963911 387814123 /nfs/dbraw/zinc/81/41/23/387814123.db2.gz HGAXUTAZLNPZHX-YNEHKIRRSA-N 1 3 248.374 1.376 20 0 BDADHO C[C@H]([NH3+])CN1CCN(CCC(C)(C)C)CC1 ZINC000442662706 387816045 /nfs/dbraw/zinc/81/60/45/387816045.db2.gz HXAOATNXPCFTPW-LBPRGKRZSA-N 1 3 227.396 1.387 20 0 BDADHO C[C@H]1CC[N@H+](CCCN2CCCCC2)C[C@H]1O ZINC000444615768 387893252 /nfs/dbraw/zinc/89/32/52/387893252.db2.gz ZJDMBRNBCPNDAA-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@H]1CC[N@@H+](CCCN2CCCCC2)C[C@H]1O ZINC000444615768 387893256 /nfs/dbraw/zinc/89/32/56/387893256.db2.gz ZJDMBRNBCPNDAA-UONOGXRCSA-N 1 3 240.391 1.565 20 0 BDADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCOC(F)F ZINC000423108260 387893803 /nfs/dbraw/zinc/89/38/03/387893803.db2.gz GAOFKRVSIYWEED-RKDXNWHRSA-N 1 3 222.279 1.203 20 0 BDADHO COCC[C@@H]([NH2+][C@H]1CCNC1)C(C)(C)C ZINC000423115100 387896250 /nfs/dbraw/zinc/89/62/50/387896250.db2.gz MSMMBHCKANVVJN-WDEREUQCSA-N 1 3 214.353 1.389 20 0 BDADHO C[C@@H]1CC(CC[NH2+][C@@H]2CCNC2)C[C@@H](C)O1 ZINC000423115399 387896416 /nfs/dbraw/zinc/89/64/16/387896416.db2.gz NFURSSCDWSGQBT-NQBHXWOUSA-N 1 3 226.364 1.532 20 0 BDADHO COCC[C@H]([NH2+][C@H]1CCNC1)C(C)(C)C ZINC000423115098 387896838 /nfs/dbraw/zinc/89/68/38/387896838.db2.gz MSMMBHCKANVVJN-QWRGUYRKSA-N 1 3 214.353 1.389 20 0 BDADHO CCSCCC[NH2+][C@H](C)C1CNC1 ZINC000423117262 387897759 /nfs/dbraw/zinc/89/77/59/387897759.db2.gz UOSGMPLPPYTQEE-SECBINFHSA-N 1 3 202.367 1.327 20 0 BDADHO CCSCCCN[C@H](C)C1C[NH2+]C1 ZINC000423117262 387897767 /nfs/dbraw/zinc/89/77/67/387897767.db2.gz UOSGMPLPPYTQEE-SECBINFHSA-N 1 3 202.367 1.327 20 0 BDADHO C[C@H](NC[C@H]1N(C)CCCC1(C)C)C1C[NH2+]C1 ZINC000423085182 387879159 /nfs/dbraw/zinc/87/91/59/387879159.db2.gz JYAFECFJMMQXIN-WCQYABFASA-N 1 3 239.407 1.304 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCC1(CO)CC2(CCC2)C1 ZINC000423082958 387879226 /nfs/dbraw/zinc/87/92/26/387879226.db2.gz FXUSVUUCFTWQJM-RYUDHWBXSA-N 1 3 240.391 1.645 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000423082958 387879228 /nfs/dbraw/zinc/87/92/28/387879228.db2.gz FXUSVUUCFTWQJM-RYUDHWBXSA-N 1 3 240.391 1.645 20 0 BDADHO CCSCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000423117669 387898523 /nfs/dbraw/zinc/89/85/23/387898523.db2.gz WOOCVJSBNHTDEG-UWVGGRQHSA-N 1 3 204.383 1.845 20 0 BDADHO C[C@@H](N[C@@H](CO)CCC(C)(C)C)C1C[NH2+]C1 ZINC000423093823 387884369 /nfs/dbraw/zinc/88/43/69/387884369.db2.gz INTOZAAKNCDXLN-ZYHUDNBSSA-N 1 3 228.380 1.371 20 0 BDADHO C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)C1CNC1 ZINC000423093823 387884372 /nfs/dbraw/zinc/88/43/72/387884372.db2.gz INTOZAAKNCDXLN-ZYHUDNBSSA-N 1 3 228.380 1.371 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+]CC1(C(F)(F)F)CC1 ZINC000423099069 387887059 /nfs/dbraw/zinc/88/70/59/387887059.db2.gz AFSNDRDZKDGFSE-HTQZYQBOSA-N 1 3 222.254 1.798 20 0 BDADHO CCOC(=O)[C@@H]1CC[C@H](N[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000423099400 387887922 /nfs/dbraw/zinc/88/79/22/387887922.db2.gz UCRRSLXKCVIGKF-RHYQMDGZSA-N 1 3 240.347 1.188 20 0 BDADHO CC(C)(C)CC[C@@H](CO)N[C@@H]1CCC[NH2+]CC1 ZINC000423098253 387888067 /nfs/dbraw/zinc/88/80/67/387888067.db2.gz RVITVZQOCQDMEN-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO CC(C)(C)CC[C@@H](CO)[NH2+][C@@H]1CCCNCC1 ZINC000423098253 387888069 /nfs/dbraw/zinc/88/80/69/387888069.db2.gz RVITVZQOCQDMEN-OLZOCXBDSA-N 1 3 242.407 1.905 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NC[C@H](O)Cc1ccccc1 ZINC000423103227 387889114 /nfs/dbraw/zinc/88/91/14/387889114.db2.gz FZZJUDFXOWLTGS-KFWWJZLASA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000423103227 387889118 /nfs/dbraw/zinc/88/91/18/387889118.db2.gz FZZJUDFXOWLTGS-KFWWJZLASA-N 1 3 248.370 1.307 20 0 BDADHO [NH3+]C[C@H]1CCC[C@@H]1NC[C@@H](O)Cc1ccccc1 ZINC000423103226 387889348 /nfs/dbraw/zinc/88/93/48/387889348.db2.gz FZZJUDFXOWLTGS-ILXRZTDVSA-N 1 3 248.370 1.307 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423103226 387889353 /nfs/dbraw/zinc/88/93/53/387889353.db2.gz FZZJUDFXOWLTGS-ILXRZTDVSA-N 1 3 248.370 1.307 20 0 BDADHO C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)[C@@H]1CCCN1 ZINC000423125155 387902691 /nfs/dbraw/zinc/90/26/91/387902691.db2.gz NCMWIJAEARGBMI-FQUUOJAGSA-N 1 3 240.391 1.515 20 0 BDADHO C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C1CNC1 ZINC000423129137 387908105 /nfs/dbraw/zinc/90/81/05/387908105.db2.gz DTPXBQISVBQRLM-ZLDLUXBVSA-N 1 3 230.355 1.988 20 0 BDADHO C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000423129137 387908108 /nfs/dbraw/zinc/90/81/08/387908108.db2.gz DTPXBQISVBQRLM-ZLDLUXBVSA-N 1 3 230.355 1.988 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423134188 387911046 /nfs/dbraw/zinc/91/10/46/387911046.db2.gz DMIQXNUANIWUEO-RWMBFGLXSA-N 1 3 226.364 1.112 20 0 BDADHO COCC1(CC[NH2+][C@H](C)C[C@@H](C)N)CCC1 ZINC000423135614 387913863 /nfs/dbraw/zinc/91/38/63/387913863.db2.gz OBGAIXOGWZJALK-VXGBXAGGSA-N 1 3 228.380 1.909 20 0 BDADHO COCC1(CC[NH2+][C@H](C)C[C@H](C)N)CCC1 ZINC000423135612 387914066 /nfs/dbraw/zinc/91/40/66/387914066.db2.gz OBGAIXOGWZJALK-NWDGAFQWSA-N 1 3 228.380 1.909 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423136198 387914263 /nfs/dbraw/zinc/91/42/63/387914263.db2.gz UVTAUYYHJDILQU-UWVGGRQHSA-N 1 3 202.342 1.374 20 0 BDADHO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423155572 387933905 /nfs/dbraw/zinc/93/39/05/387933905.db2.gz QTZDOKQXMJJOIF-NAWOPXAZSA-N 1 3 226.364 1.374 20 0 BDADHO CC(C)(O)C(C)(C)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423154813 387935342 /nfs/dbraw/zinc/93/53/42/387935342.db2.gz JYAUPMYJAFKQKF-NXEZZACHSA-N 1 3 214.353 1.253 20 0 BDADHO Cc1ccc(CN2CC[C@@H](C[NH3+])C2)s1 ZINC000050225618 387926478 /nfs/dbraw/zinc/92/64/78/387926478.db2.gz FMBDAEXHWIUTQA-JTQLQIEISA-N 1 3 210.346 1.837 20 0 BDADHO C[C@@H](CCCCO)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423149244 387927096 /nfs/dbraw/zinc/92/70/96/387927096.db2.gz AENNAGVZJURPFX-AVGNSLFASA-N 1 3 228.380 1.658 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]1F ZINC000423149806 387927299 /nfs/dbraw/zinc/92/72/99/387927299.db2.gz XWJWBTGENFMPSZ-XWLWVQCSSA-N 1 3 200.301 1.594 20 0 BDADHO COCC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000423167731 387952718 /nfs/dbraw/zinc/95/27/18/387952718.db2.gz FRRSZBOOCVAUCF-SRVKXCTJSA-N 1 3 214.353 1.376 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc2cncn2c1 ZINC000423167896 387952801 /nfs/dbraw/zinc/95/28/01/387952801.db2.gz FZOKAXLTRYAAGE-MNOVXSKESA-N 1 3 232.331 1.550 20 0 BDADHO O[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423159287 387939864 /nfs/dbraw/zinc/93/98/64/387939864.db2.gz FPUABAIRCIDWRU-XVIXHAIJSA-N 1 3 238.375 1.410 20 0 BDADHO CC[C@@H](NC[C@@H](C)CCCO)[C@@H]1CCC[NH2+]1 ZINC000423163150 387945165 /nfs/dbraw/zinc/94/51/65/387945165.db2.gz VATZJBUPTDIXQL-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@@H]([NH2+]C[C@@H](C)CCCO)[C@@H]1CCCN1 ZINC000423163150 387945166 /nfs/dbraw/zinc/94/51/66/387945166.db2.gz VATZJBUPTDIXQL-XQQFMLRXSA-N 1 3 228.380 1.515 20 0 BDADHO C[C@@H](NCCC[C@H]1CCOC1)[C@@H]1CCCC[NH2+]1 ZINC000423163045 387945254 /nfs/dbraw/zinc/94/52/54/387945254.db2.gz QJWCYJUMVYYGKB-RDBSUJKOSA-N 1 3 240.391 1.923 20 0 BDADHO [NH3+][C@H]1CCC[C@@H]1NC[C@@H]1CCCC[C@H]1O ZINC000423163114 387945630 /nfs/dbraw/zinc/94/56/30/387945630.db2.gz QTEPXAWQKDQFSW-FIQHERPVSA-N 1 3 212.337 1.007 20 0 BDADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCCO1 ZINC000423165531 387948545 /nfs/dbraw/zinc/94/85/45/387948545.db2.gz YIWPBXNRFNDZNT-ZOBORPQBSA-N 1 3 238.375 1.676 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000423165847 387949708 /nfs/dbraw/zinc/94/97/08/387949708.db2.gz QMPLEYAVISWWCE-ZMLRMANQSA-N 1 3 212.337 1.140 20 0 BDADHO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)C2CNC2)C1 ZINC000423165847 387949710 /nfs/dbraw/zinc/94/97/10/387949710.db2.gz QMPLEYAVISWWCE-ZMLRMANQSA-N 1 3 212.337 1.140 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C12CCC2 ZINC000423172847 387958998 /nfs/dbraw/zinc/95/89/98/387958998.db2.gz VQJRZUFFRKIGOZ-MROQNXINSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCNCC[C@@H]2C)[C@@H](C)O1 ZINC000423178254 387964100 /nfs/dbraw/zinc/96/41/00/387964100.db2.gz IFODFJFSKHUZAQ-RYMFRWLXSA-N 1 3 240.391 1.778 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCNCC1 ZINC000423178711 387965004 /nfs/dbraw/zinc/96/50/04/387965004.db2.gz GLSIEARRKQVNDS-AAEUAGOBSA-N 1 3 226.364 1.533 20 0 BDADHO Cc1oncc1CN1CCC(C[NH+](C)C)CC1 ZINC000445803225 387968717 /nfs/dbraw/zinc/96/87/17/387968717.db2.gz RSVRTMGMATWCFT-UHFFFAOYSA-N 1 3 237.347 1.757 20 0 BDADHO CC[C@@H](COC)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424372502 387997368 /nfs/dbraw/zinc/99/73/68/387997368.db2.gz WNWIMMWEJNJUHN-HBNTYKKESA-N 1 3 200.326 1.271 20 0 BDADHO COCCCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420406914 387999205 /nfs/dbraw/zinc/99/92/05/387999205.db2.gz UUFPDJFXYOWBBK-KBPBESRZSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N)CCN1C ZINC000424376490 387999731 /nfs/dbraw/zinc/99/97/31/387999731.db2.gz PKGURUYHTJNCMX-FDYHWXHSSA-N 1 3 225.380 1.329 20 0 BDADHO CC(C)O[C@H]1C[C@H](NCC[C@H](C)[NH3+])C1(C)C ZINC000423222386 388001872 /nfs/dbraw/zinc/00/18/72/388001872.db2.gz ATFNQHJRHHQZFP-SRVKXCTJSA-N 1 3 228.380 1.905 20 0 BDADHO CC(C)O[C@H]1C[C@H]([NH2+]CC[C@H](C)N)C1(C)C ZINC000423222386 388001877 /nfs/dbraw/zinc/00/18/77/388001877.db2.gz ATFNQHJRHHQZFP-SRVKXCTJSA-N 1 3 228.380 1.905 20 0 BDADHO CC[C@H](COC)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424372500 387996470 /nfs/dbraw/zinc/99/64/70/387996470.db2.gz WNWIMMWEJNJUHN-GMTAPVOTSA-N 1 3 200.326 1.271 20 0 BDADHO CC[NH2+]CCN[C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423230285 388015408 /nfs/dbraw/zinc/01/54/08/388015408.db2.gz DFKOYHSFRLBGGT-IJLUTSLNSA-N 1 3 242.363 1.163 20 0 BDADHO CCOC[C@@H]1CCC[C@@H]1NCC[NH2+]C ZINC000423235395 388019046 /nfs/dbraw/zinc/01/90/46/388019046.db2.gz ASCWXEAADCRRSC-QWRGUYRKSA-N 1 3 200.326 1.001 20 0 BDADHO CC[NH2+]CCN[C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423251029 388032975 /nfs/dbraw/zinc/03/29/75/388032975.db2.gz VJGGAJAHOUCUHU-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](N)c1ccccc1 ZINC000423254100 388034747 /nfs/dbraw/zinc/03/47/47/388034747.db2.gz XCYIHHKLBGNCAY-VHDGCEQUSA-N 1 3 247.386 1.664 20 0 BDADHO CC(C)C[C@H](C[NH3+])N[C@H]1CCO[C@@H]1C ZINC000423263545 388042921 /nfs/dbraw/zinc/04/29/21/388042921.db2.gz OSNQSIXFNINORI-MXWKQRLJSA-N 1 3 200.326 1.127 20 0 BDADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](CN)CC(C)C)C1 ZINC000423265358 388043378 /nfs/dbraw/zinc/04/33/78/388043378.db2.gz QVGYGPYEOYFBRB-YNEHKIRRSA-N 1 3 227.396 1.290 20 0 BDADHO c1ncc(CNCC2CC[NH+](C3CC3)CC2)cn1 ZINC000446887911 388043844 /nfs/dbraw/zinc/04/38/44/388043844.db2.gz ZZNXUFPBPLURBN-UHFFFAOYSA-N 1 3 246.358 1.441 20 0 BDADHO CC[C@H]([NH2+]C[C@@H]1CCCN1)[C@@H]1CCOC1 ZINC000423245038 388029046 /nfs/dbraw/zinc/02/90/46/388029046.db2.gz YAROSUBSCYKAJP-WOPDTQHZSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H](N)c1ccccc1 ZINC000423246471 388030403 /nfs/dbraw/zinc/03/04/03/388030403.db2.gz KCVFCUZBPNBVKW-DMDPSCGWSA-N 1 3 221.348 1.402 20 0 BDADHO COc1ccc(C[C@H](C)N[C@@H](C[NH3+])C2CC2)cn1 ZINC000423273470 388053055 /nfs/dbraw/zinc/05/30/55/388053055.db2.gz IZJPGDUTGCOKBS-GWCFXTLKSA-N 1 3 249.358 1.348 20 0 BDADHO C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]C2)c2nccn21 ZINC000423274940 388055086 /nfs/dbraw/zinc/05/50/86/388055086.db2.gz MPHPOEYBYXCOPW-UPJWGTAASA-N 1 3 248.374 1.868 20 0 BDADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC(N)(CC)CC)C1 ZINC000423283952 388067896 /nfs/dbraw/zinc/06/78/96/388067896.db2.gz GCXAEIMMSNYOCX-NEPJUHHUSA-N 1 3 227.396 1.434 20 0 BDADHO C[NH2+]C[C@H](C)CN[C@@H](COC)C(C)C ZINC000423284649 388067959 /nfs/dbraw/zinc/06/79/59/388067959.db2.gz YQBMBPVWAWBYJN-QWRGUYRKSA-N 1 3 202.342 1.103 20 0 BDADHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)[C@H]1CCCO1 ZINC000084215827 388073169 /nfs/dbraw/zinc/07/31/69/388073169.db2.gz VJVWCDLRHLOOMC-UMSGYPCISA-N 1 3 226.364 1.661 20 0 BDADHO COc1cccc2c1CC[C@H]2NC[C@@H](C)C[NH3+] ZINC000423297297 388078214 /nfs/dbraw/zinc/07/82/14/388078214.db2.gz JRKCQDAVKVCULF-GXFFZTMASA-N 1 3 234.343 1.867 20 0 BDADHO CCCC[C@H](C[NH3+])N[C@H]1CCC(=O)NC1(C)C ZINC000423296912 388079064 /nfs/dbraw/zinc/07/90/64/388079064.db2.gz HZGCTDYYNIRYTM-MNOVXSKESA-N 1 3 241.379 1.151 20 0 BDADHO CCCC[C@H](CN)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000423297959 388079997 /nfs/dbraw/zinc/07/99/97/388079997.db2.gz MNZTUHFRTUXDCD-YNEHKIRRSA-N 1 3 227.396 1.434 20 0 BDADHO CC(C)OCCCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000086495170 388103596 /nfs/dbraw/zinc/10/35/96/388103596.db2.gz YKBLRDCPEFMJQT-STQMWFEESA-N 1 3 228.380 1.922 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000261528046 135152636 /nfs/dbraw/zinc/15/26/36/135152636.db2.gz JBOATPLUCWCLGO-WDEREUQCSA-N 1 3 214.378 1.281 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000261528046 135152637 /nfs/dbraw/zinc/15/26/37/135152637.db2.gz JBOATPLUCWCLGO-WDEREUQCSA-N 1 3 214.378 1.281 20 0 BDADHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCSC2)C1 ZINC000261528046 135152639 /nfs/dbraw/zinc/15/26/39/135152639.db2.gz JBOATPLUCWCLGO-WDEREUQCSA-N 1 3 214.378 1.281 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000160064056 388045031 /nfs/dbraw/zinc/04/50/31/388045031.db2.gz QJLZJUBUBXQEIY-BFHYXJOUSA-N 1 3 241.423 1.789 20 0 BDADHO CC[C@@H](Cn1cncn1)N[C@@H](C[NH3+])CC(C)C ZINC000423267518 388045219 /nfs/dbraw/zinc/04/52/19/388045219.db2.gz TWHVZEMSLOQNRH-NWDGAFQWSA-N 1 3 239.367 1.020 20 0 BDADHO CCC[C@@H](N)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000449618797 388244260 /nfs/dbraw/zinc/24/42/60/388244260.db2.gz LQUJYMRIVVDVDE-GFCCVEGCSA-N 1 3 235.331 1.472 20 0 BDADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1COCC1(C)C ZINC000451813592 388297669 /nfs/dbraw/zinc/29/76/69/388297669.db2.gz RGAJWKZKVPSARJ-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1COCC1(C)C ZINC000451813592 388297671 /nfs/dbraw/zinc/29/76/71/388297671.db2.gz RGAJWKZKVPSARJ-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1COCC1(C)C ZINC000451813592 388297673 /nfs/dbraw/zinc/29/76/73/388297673.db2.gz RGAJWKZKVPSARJ-VXGBXAGGSA-N 1 3 226.364 1.485 20 0 BDADHO CCOC[C@H]1CCCN(CCC[NH3+])C1 ZINC000409425675 256601489 /nfs/dbraw/zinc/60/14/89/256601489.db2.gz GLNVIOLIMUBKJY-NSHDSACASA-N 1 3 200.326 1.084 20 0 BDADHO NCc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000646578734 388388421 /nfs/dbraw/zinc/38/84/21/388388421.db2.gz CDAUWQXFXNSTRM-UHFFFAOYSA-N 1 3 247.342 1.474 20 0 BDADHO C[C@H]1C[C@@H](C(=O)Nc2cccc(CN)c2)CC[NH2+]1 ZINC000646578931 388388761 /nfs/dbraw/zinc/38/87/61/388388761.db2.gz JWUFZBKRMAERQU-JQWIXIFHSA-N 1 3 247.342 1.472 20 0 BDADHO CNCc1ccccc1NC(=O)CCC[NH2+]C ZINC000237228528 388391882 /nfs/dbraw/zinc/39/18/82/388391882.db2.gz UWFVVTOXDVCAMZ-UHFFFAOYSA-N 1 3 235.331 1.344 20 0 BDADHO FC1(F)CC[C@H](C[N@@H+]2CCCNCC2)C1 ZINC000300811302 388394909 /nfs/dbraw/zinc/39/49/09/388394909.db2.gz FGATXFJKDWAXDP-JTQLQIEISA-N 1 3 218.291 1.717 20 0 BDADHO FC1(F)CC[C@H](C[N@H+]2CCCNCC2)C1 ZINC000300811302 388394911 /nfs/dbraw/zinc/39/49/11/388394911.db2.gz FGATXFJKDWAXDP-JTQLQIEISA-N 1 3 218.291 1.717 20 0 BDADHO CNCc1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000646626387 388398467 /nfs/dbraw/zinc/39/84/67/388398467.db2.gz OYBOKCYRPAMVQJ-LBPRGKRZSA-N 1 3 247.342 1.344 20 0 BDADHO C[C@@H](C[NH2+][C@H]1CCOC1(C)C)CN(C)C ZINC000336901791 388441704 /nfs/dbraw/zinc/44/17/04/388441704.db2.gz SWUKTWPQCDEHED-QWRGUYRKSA-N 1 3 214.353 1.341 20 0 BDADHO C[C@@H](CN[C@H]1CCOC1(C)C)C[NH+](C)C ZINC000336901791 388441706 /nfs/dbraw/zinc/44/17/06/388441706.db2.gz SWUKTWPQCDEHED-QWRGUYRKSA-N 1 3 214.353 1.341 20 0 BDADHO COc1cccc([C@@H](C)[NH2+]C[C@H](C)N)c1 ZINC000515404014 256745015 /nfs/dbraw/zinc/74/50/15/256745015.db2.gz BAHJPRZVEJJVCS-VHSXEESVSA-N 1 3 208.305 1.693 20 0 BDADHO CCOCCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397394557 388466089 /nfs/dbraw/zinc/46/60/89/388466089.db2.gz OVLFZJNQYLEEOW-AVGNSLFASA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397394557 388466090 /nfs/dbraw/zinc/46/60/90/388466090.db2.gz OVLFZJNQYLEEOW-AVGNSLFASA-N 1 3 228.380 1.718 20 0 BDADHO CCOCCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397394557 388466092 /nfs/dbraw/zinc/46/60/92/388466092.db2.gz OVLFZJNQYLEEOW-AVGNSLFASA-N 1 3 228.380 1.718 20 0 BDADHO C[C@@H](CC(C)(C)C)[NH2+]CC1(O)CCN(C)CC1 ZINC000397555767 388478212 /nfs/dbraw/zinc/47/82/12/388478212.db2.gz LTIADVLXJICNSE-LBPRGKRZSA-N 1 3 242.407 1.857 20 0 BDADHO Cc1cnccc1C[NH2+]C[C@H](C)CN(C)C ZINC000295658356 388413681 /nfs/dbraw/zinc/41/36/81/388413681.db2.gz IAOLVJPAOAMDDH-NSHDSACASA-N 1 3 221.348 1.677 20 0 BDADHO CC[C@@H](CO)NC1CC[NH+](CC2CC2)CC1 ZINC000166274464 388424033 /nfs/dbraw/zinc/42/40/33/388424033.db2.gz XIEMOXAHBNEQOD-LBPRGKRZSA-N 1 3 226.364 1.221 20 0 BDADHO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000393428965 388429430 /nfs/dbraw/zinc/42/94/30/388429430.db2.gz RJMISIYQELZYAQ-VXGBXAGGSA-N 1 3 228.380 1.502 20 0 BDADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)[C@H]1C[C@H]1C ZINC000322335346 388432062 /nfs/dbraw/zinc/43/20/62/388432062.db2.gz QCAQVOJFKNFEQM-WZRBSPASSA-N 1 3 208.349 1.882 20 0 BDADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573266710 388437531 /nfs/dbraw/zinc/43/75/31/388437531.db2.gz KXGQNGCMHYZQLU-FVCCEPFGSA-N 1 3 242.363 1.040 20 0 BDADHO CSC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000517127825 388538829 /nfs/dbraw/zinc/53/88/29/388538829.db2.gz PIEGYJCWUBBEPD-QJPTWQEYSA-N 1 3 246.420 1.173 20 0 BDADHO CSC[C@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000517127825 388538831 /nfs/dbraw/zinc/53/88/31/388538831.db2.gz PIEGYJCWUBBEPD-QJPTWQEYSA-N 1 3 246.420 1.173 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CS1 ZINC000397773852 388497938 /nfs/dbraw/zinc/49/79/38/388497938.db2.gz AGLUDGGQXYNYPL-WISYIIOYSA-N 1 3 228.405 1.988 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186792216 388603984 /nfs/dbraw/zinc/60/39/84/388603984.db2.gz LQGUNSNPUSZUJB-REWJHTLYSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000186792216 388603986 /nfs/dbraw/zinc/60/39/86/388603986.db2.gz LQGUNSNPUSZUJB-REWJHTLYSA-N 1 3 238.375 1.506 20 0 BDADHO CC[C@H](O)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358173430 388554451 /nfs/dbraw/zinc/55/44/51/388554451.db2.gz UZRALGLTAWINLP-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO CC[C@H](O)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358173430 388554454 /nfs/dbraw/zinc/55/44/54/388554454.db2.gz UZRALGLTAWINLP-RDBSUJKOSA-N 1 3 240.391 1.754 20 0 BDADHO CC(C)C[C@H](N)C[NH+]1CCC(CCO)CC1 ZINC000517712626 388557345 /nfs/dbraw/zinc/55/73/45/388557345.db2.gz HWUDDKVXVVMKTI-ZDUSSCGKSA-N 1 3 228.380 1.454 20 0 BDADHO CCN(CC[NH2+][C@H]1CCN(C)C[C@H]1C)C1CC1 ZINC000360930396 388559273 /nfs/dbraw/zinc/55/92/73/388559273.db2.gz LGBUDZLQQIVVFD-OCCSQVGLSA-N 1 3 239.407 1.401 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)C(C)C ZINC000362977211 388563021 /nfs/dbraw/zinc/56/30/21/388563021.db2.gz PLKXQJCIYVGDEK-RWMBFGLXSA-N 1 3 228.380 1.765 20 0 BDADHO CO[C@H](C[NH2+][C@H]1CCC[C@H]1CN)C(C)C ZINC000362976569 388563258 /nfs/dbraw/zinc/56/32/58/388563258.db2.gz KTBUXGCTHGMEDO-SDDRHHMPSA-N 1 3 214.353 1.374 20 0 BDADHO COCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000521254992 388567150 /nfs/dbraw/zinc/56/71/50/388567150.db2.gz SVAWSDKCHXBMBO-UHFFFAOYSA-N 1 3 228.380 1.733 20 0 BDADHO Cc1cnccc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000385061712 388573354 /nfs/dbraw/zinc/57/33/54/388573354.db2.gz UPBDZKFUKABZEG-RYUDHWBXSA-N 1 3 219.332 1.559 20 0 BDADHO COC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000248419432 388678512 /nfs/dbraw/zinc/67/85/12/388678512.db2.gz VCEHBRZGTIQUMB-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO COC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000248419432 388678514 /nfs/dbraw/zinc/67/85/14/388678514.db2.gz VCEHBRZGTIQUMB-OLZOCXBDSA-N 1 3 238.375 1.772 20 0 BDADHO COCCC1CCN([C@H](C)C[C@H](C)[NH3+])CC1 ZINC000530212333 388626706 /nfs/dbraw/zinc/62/67/06/388626706.db2.gz QIRWIUCNFLERAK-NWDGAFQWSA-N 1 3 228.380 1.861 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H]1CCCOC1 ZINC000530209506 388627378 /nfs/dbraw/zinc/62/73/78/388627378.db2.gz IHGSWZYHRBWPAF-HZSPNIEDSA-N 1 3 240.391 1.781 20 0 BDADHO CC1(C)C[C@H]([NH2+]CC[C@@H]2CCCOC2)CCN1 ZINC000530212956 388627439 /nfs/dbraw/zinc/62/74/39/388627439.db2.gz SGFNHPLIWZYNBT-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000530210281 388627795 /nfs/dbraw/zinc/62/77/95/388627795.db2.gz JADDFWCNVDASLC-UPJWGTAASA-N 1 3 226.364 1.663 20 0 BDADHO COc1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cn1 ZINC000530218104 388630049 /nfs/dbraw/zinc/63/00/49/388630049.db2.gz FDSDLAGQZBNMAC-NEPJUHHUSA-N 1 3 235.331 1.102 20 0 BDADHO COCCC1CC[NH+](C[C@@H](C)N)CC1 ZINC000530221492 388633066 /nfs/dbraw/zinc/63/30/66/388633066.db2.gz DZZNYPQZGWMRPF-SNVBAGLBSA-N 1 3 200.326 1.082 20 0 BDADHO COC[C@@H]([NH2+]CC[C@H]1CCCN1C)C1CC1 ZINC000248560712 388684569 /nfs/dbraw/zinc/68/45/69/388684569.db2.gz JITDOZHYEACNBP-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@@H](NCC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000248560712 388684571 /nfs/dbraw/zinc/68/45/71/388684571.db2.gz JITDOZHYEACNBP-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO COC[C@@H](NCC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000248560712 388684572 /nfs/dbraw/zinc/68/45/72/388684572.db2.gz JITDOZHYEACNBP-CHWSQXEVSA-N 1 3 226.364 1.485 20 0 BDADHO c1cc2c(cc1N[C@@H]1CCC[NH2+]C1)OCCNC2 ZINC000530246059 388638983 /nfs/dbraw/zinc/63/89/83/388638983.db2.gz AIZWJDXZICBGIT-CYBMUJFWSA-N 1 3 247.342 1.333 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000251462817 388643911 /nfs/dbraw/zinc/64/39/11/388643911.db2.gz UYEUDUSAUCFYEM-SDDRHHMPSA-N 1 3 212.337 1.273 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128025988 388736701 /nfs/dbraw/zinc/73/67/01/388736701.db2.gz LQGUNSNPUSZUJB-MQYQWHSLSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@H]1CCCC[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128025988 388736703 /nfs/dbraw/zinc/73/67/03/388736703.db2.gz LQGUNSNPUSZUJB-MQYQWHSLSA-N 1 3 238.375 1.506 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000250838234 388741296 /nfs/dbraw/zinc/74/12/96/388741296.db2.gz LGBOJPPCTGFUNF-TUAOUCFPSA-N 1 3 228.405 1.989 20 0 BDADHO CC[C@H](O)CCNC1CC[NH+](C(C)C)CC1 ZINC000128310238 388747378 /nfs/dbraw/zinc/74/73/78/388747378.db2.gz FAZGYYQYHFFZFF-ZDUSSCGKSA-N 1 3 228.380 1.610 20 0 BDADHO COC[C@H](C)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000249452212 388721333 /nfs/dbraw/zinc/72/13/33/388721333.db2.gz CPTQOTDBTDMPPK-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H](C)C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249452212 388721335 /nfs/dbraw/zinc/72/13/35/388721335.db2.gz CPTQOTDBTDMPPK-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO COC[C@H](C)C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000249452212 388721337 /nfs/dbraw/zinc/72/13/37/388721337.db2.gz CPTQOTDBTDMPPK-KGLIPLIRSA-N 1 3 240.391 1.687 20 0 BDADHO CC[C@H](O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229971290 388807695 /nfs/dbraw/zinc/80/76/95/388807695.db2.gz YSYJIDAWXDDHMJ-AVGNSLFASA-N 1 3 228.380 1.658 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000230062690 388811417 /nfs/dbraw/zinc/81/14/17/388811417.db2.gz UXCBOZMQNSOWME-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@H](C)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000230062690 388811419 /nfs/dbraw/zinc/81/14/19/388811419.db2.gz UXCBOZMQNSOWME-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO CCOC[C@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000230062690 388811422 /nfs/dbraw/zinc/81/14/22/388811422.db2.gz UXCBOZMQNSOWME-STQMWFEESA-N 1 3 228.380 1.731 20 0 BDADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC(C)(C)N(C)C ZINC000252710301 388773932 /nfs/dbraw/zinc/77/39/32/388773932.db2.gz GGPOPSWOPDXTKN-VXGBXAGGSA-N 1 3 227.396 1.256 20 0 BDADHO CCN(CC)CCC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000554848105 388832921 /nfs/dbraw/zinc/83/29/21/388832921.db2.gz HNAFDSNRZDCLKW-HDJSIYSDSA-N 1 3 242.407 1.954 20 0 BDADHO CCN(CC)CCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000554848105 388832924 /nfs/dbraw/zinc/83/29/24/388832924.db2.gz HNAFDSNRZDCLKW-HDJSIYSDSA-N 1 3 242.407 1.954 20 0 BDADHO CC[NH+](CC)CCCN(C)[C@H]1CC[C@H](O)CC1 ZINC000554848105 388832927 /nfs/dbraw/zinc/83/29/27/388832927.db2.gz HNAFDSNRZDCLKW-HDJSIYSDSA-N 1 3 242.407 1.954 20 0 BDADHO C[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCCN1 ZINC000564826141 388891981 /nfs/dbraw/zinc/89/19/81/388891981.db2.gz FERBMAFGZIDTNJ-JSGCOSHPSA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000565227246 388929298 /nfs/dbraw/zinc/92/92/98/388929298.db2.gz WWUUZMURQUTUOO-XQQFMLRXSA-N 1 3 242.407 1.889 20 0 BDADHO CC(C)[C@H](O)C(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000565227246 388929301 /nfs/dbraw/zinc/92/93/01/388929301.db2.gz WWUUZMURQUTUOO-XQQFMLRXSA-N 1 3 242.407 1.889 20 0 BDADHO CCC[C@H](C)[C@@H](CO)[NH2+]CC[C@H]1CCCN1C ZINC000565483654 388949000 /nfs/dbraw/zinc/94/90/00/388949000.db2.gz NCSKSVCPWADLJY-BFHYXJOUSA-N 1 3 242.407 1.857 20 0 BDADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680203 322836415 /nfs/dbraw/zinc/83/64/15/322836415.db2.gz FYDBLLLSVHWVDL-UTUOFQBUSA-N 1 3 243.395 1.206 20 0 BDADHO Cc1cc(N2C[C@H](C)N(C)C[C@@H]2C)cc[nH+]1 ZINC000336626370 132249191 /nfs/dbraw/zinc/24/91/91/132249191.db2.gz XBVVYVYSCAOOSS-RYUDHWBXSA-N 1 3 219.332 1.919 20 0 BDADHO C[C@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000035601413 132338510 /nfs/dbraw/zinc/33/85/10/132338510.db2.gz OFIHETBXZRLPIF-NSHDSACASA-N 1 3 235.331 1.021 20 0 BDADHO C[C@H]1CN(C)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000336214851 134136395 /nfs/dbraw/zinc/13/63/95/134136395.db2.gz BKSPVNSYWITXMP-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H]1CN(C)CCN1CC[C@H]1CCC[N@H+]1C ZINC000336214851 134136396 /nfs/dbraw/zinc/13/63/96/134136396.db2.gz BKSPVNSYWITXMP-QWHCGFSZSA-N 1 3 225.380 1.107 20 0 BDADHO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000227919293 134399494 /nfs/dbraw/zinc/39/94/94/134399494.db2.gz VLVBEXKFOLTPPI-CHWSQXEVSA-N 1 3 242.407 1.892 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000070656531 135004549 /nfs/dbraw/zinc/00/45/49/135004549.db2.gz CGMRGDHGNPGZHT-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@H](COC)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000070656531 135004551 /nfs/dbraw/zinc/00/45/51/135004551.db2.gz CGMRGDHGNPGZHT-JHJVBQTASA-N 1 3 226.364 1.628 20 0 BDADHO C(C[NH2+]C[C@@H]1CCSC1)CN1CCCC1 ZINC000163626477 135021684 /nfs/dbraw/zinc/02/16/84/135021684.db2.gz ZZZKHAKCVPKORY-LBPRGKRZSA-N 1 3 228.405 1.815 20 0 BDADHO c1cn(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000250242972 135050191 /nfs/dbraw/zinc/05/01/91/135050191.db2.gz JSJBWTWGXNISNK-KBPBESRZSA-N 1 3 248.374 1.490 20 0 BDADHO c1cn(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000250242972 135050194 /nfs/dbraw/zinc/05/01/94/135050194.db2.gz JSJBWTWGXNISNK-KBPBESRZSA-N 1 3 248.374 1.490 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCCOCC2)C1 ZINC000250314061 135051961 /nfs/dbraw/zinc/05/19/61/135051961.db2.gz MFWFTJOMEKSMBP-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](CO)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251068972 135062228 /nfs/dbraw/zinc/06/22/28/135062228.db2.gz FAHIOKOCLKYBRN-WUHRBBMRSA-N 1 3 226.364 1.125 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251214568 135066572 /nfs/dbraw/zinc/06/65/72/135066572.db2.gz LQGUNSNPUSZUJB-XDQVBPFNSA-N 1 3 238.375 1.506 20 0 BDADHO O[C@@H]1CCCC[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251214568 135066575 /nfs/dbraw/zinc/06/65/75/135066575.db2.gz LQGUNSNPUSZUJB-XDQVBPFNSA-N 1 3 238.375 1.506 20 0 BDADHO [NH3+]CCOCCN1CCC(C(F)(F)F)CC1 ZINC000086435890 135084734 /nfs/dbraw/zinc/08/47/34/135084734.db2.gz HKZBMPWXVHGWJI-UHFFFAOYSA-N 1 3 240.269 1.236 20 0 BDADHO CCOCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000086494379 135086751 /nfs/dbraw/zinc/08/67/51/135086751.db2.gz KQPRSWXKQFCHCR-XQQFMLRXSA-N 1 3 226.364 1.533 20 0 BDADHO CC[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703059 135098691 /nfs/dbraw/zinc/09/86/91/135098691.db2.gz DBIFVIOGBOMAEP-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO CC[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703059 135098693 /nfs/dbraw/zinc/09/86/93/135098693.db2.gz DBIFVIOGBOMAEP-AVGNSLFASA-N 1 3 226.364 1.364 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000252759515 135107658 /nfs/dbraw/zinc/10/76/58/135107658.db2.gz LLHPGXSPCFPGKC-ZDEQEGDKSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@H](O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252759515 135107659 /nfs/dbraw/zinc/10/76/59/135107659.db2.gz LLHPGXSPCFPGKC-ZDEQEGDKSA-N 1 3 226.364 1.362 20 0 BDADHO C[C@]1(CNC[C@@]2(C)CCCO2)CC[NH2+]C1 ZINC000087255593 135116196 /nfs/dbraw/zinc/11/61/96/135116196.db2.gz RVNBPJFBTPZFFR-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CCC([NH3+])(CC)CNC(=O)C1(N)CCCCC1 ZINC000262458295 135119109 /nfs/dbraw/zinc/11/91/09/135119109.db2.gz VAHIKNGGFGASPF-UHFFFAOYSA-N 1 3 241.379 1.282 20 0 BDADHO C([C@@H]1CCCOC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257741632 135141019 /nfs/dbraw/zinc/14/10/19/135141019.db2.gz YZNVDTSEKMVKHY-STQMWFEESA-N 1 3 224.348 1.098 20 0 BDADHO C(C1CCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257735213 135141162 /nfs/dbraw/zinc/14/11/62/135141162.db2.gz RODRMICJLYZYDT-CQSZACIVSA-N 1 3 237.391 1.156 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@H]1CCSC1 ZINC000261531306 135159993 /nfs/dbraw/zinc/15/99/93/135159993.db2.gz GBLFIPOKBVGAII-NEPJUHHUSA-N 1 3 228.405 1.943 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@H]1CCSC1 ZINC000261531306 135159994 /nfs/dbraw/zinc/15/99/94/135159994.db2.gz GBLFIPOKBVGAII-NEPJUHHUSA-N 1 3 228.405 1.943 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000261533028 135163888 /nfs/dbraw/zinc/16/38/88/135163888.db2.gz GBFSVJMTFUFPRU-AVGNSLFASA-N 1 3 226.364 1.520 20 0 BDADHO C[C@@H]1C[C@H](CN2C[C@H](C)O[C@@H](C)C2)CC[NH2+]1 ZINC000261533659 135164809 /nfs/dbraw/zinc/16/48/09/135164809.db2.gz JLKIDSWYXTVNJX-MROQNXINSA-N 1 3 226.364 1.484 20 0 BDADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)F ZINC000261534709 135167575 /nfs/dbraw/zinc/16/75/75/135167575.db2.gz SZGDAVAXPMSASG-VHSXEESVSA-N 1 3 236.306 1.375 20 0 BDADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOCC(F)F ZINC000261534709 135167576 /nfs/dbraw/zinc/16/75/76/135167576.db2.gz SZGDAVAXPMSASG-VHSXEESVSA-N 1 3 236.306 1.375 20 0 BDADHO CN(C[C@@H]1CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261534654 135167968 /nfs/dbraw/zinc/16/79/68/135167968.db2.gz SKYPPNSZABBOCH-ACJTYDJDSA-N 1 3 240.416 1.954 20 0 BDADHO CC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000261535504 135169403 /nfs/dbraw/zinc/16/94/03/135169403.db2.gz ZXVGZWMAOHXBOF-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCNC2)CCCO1 ZINC000261535504 135169404 /nfs/dbraw/zinc/16/94/04/135169404.db2.gz ZXVGZWMAOHXBOF-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)CCCO1 ZINC000261535504 135169406 /nfs/dbraw/zinc/16/94/06/135169406.db2.gz ZXVGZWMAOHXBOF-CHWSQXEVSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCOC1 ZINC000087783202 135169798 /nfs/dbraw/zinc/16/97/98/135169798.db2.gz NHFLJCWWCBKOCQ-FRRDWIJNSA-N 1 3 226.364 1.676 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000261536776 135172388 /nfs/dbraw/zinc/17/23/88/135172388.db2.gz SWLOTMUTYOIZHX-GHMZBOCLSA-N 1 3 214.353 1.519 20 0 BDADHO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000261538041 135175803 /nfs/dbraw/zinc/17/58/03/135175803.db2.gz XFPKDULDMOARFQ-WDEREUQCSA-N 1 3 214.353 1.376 20 0 BDADHO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1(C)C ZINC000261541296 135181171 /nfs/dbraw/zinc/18/11/71/135181171.db2.gz JOUPHPIVWJOOLU-MROQNXINSA-N 1 3 240.391 1.907 20 0 BDADHO CN(C)[C@@H](CNCC(C)(C)[NH3+])c1ccccc1 ZINC000261543314 135184187 /nfs/dbraw/zinc/18/41/87/135184187.db2.gz CUPTWGABVVOCPO-ZDUSSCGKSA-N 1 3 235.375 1.616 20 0 BDADHO CN(C)[C@@H](C[NH2+]CC(C)(C)N)c1ccccc1 ZINC000261543314 135184188 /nfs/dbraw/zinc/18/41/88/135184188.db2.gz CUPTWGABVVOCPO-ZDUSSCGKSA-N 1 3 235.375 1.616 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccco1 ZINC000084218822 135192532 /nfs/dbraw/zinc/19/25/32/135192532.db2.gz PDHQOXXLVPORHH-ZYHUDNBSSA-N 1 3 208.305 1.539 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000084218822 135192534 /nfs/dbraw/zinc/19/25/34/135192534.db2.gz PDHQOXXLVPORHH-ZYHUDNBSSA-N 1 3 208.305 1.539 20 0 BDADHO CC(C)CCOCCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221189 135193585 /nfs/dbraw/zinc/19/35/85/135193585.db2.gz DNFFLKNMIQHJKZ-OLZOCXBDSA-N 1 3 228.380 1.766 20 0 BDADHO CC(C)CCOCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000084221189 135193586 /nfs/dbraw/zinc/19/35/86/135193586.db2.gz DNFFLKNMIQHJKZ-OLZOCXBDSA-N 1 3 228.380 1.766 20 0 BDADHO C[C@](O)(C[NH2+][C@@H]1C[C@H](N)c2ccccc21)C1CC1 ZINC000261554410 135193781 /nfs/dbraw/zinc/19/37/81/135193781.db2.gz AXRJIFZGXVVSPN-ZNMIVQPWSA-N 1 3 246.354 1.882 20 0 BDADHO CC(C)(C)CCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261561071 135201624 /nfs/dbraw/zinc/20/16/24/135201624.db2.gz UZWIDYZKDSDCHU-ZDUSSCGKSA-N 1 3 239.407 1.402 20 0 BDADHO CC(C)([NH3+])CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000261563791 135205403 /nfs/dbraw/zinc/20/54/03/135205403.db2.gz BZUDHPZDXJZWKO-QWRGUYRKSA-N 1 3 212.337 1.082 20 0 BDADHO C[C@@H](N[C@H]1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000261580249 135220885 /nfs/dbraw/zinc/22/08/85/135220885.db2.gz MUUSGEAJCXNHND-WDMOLILDSA-N 1 3 218.344 1.869 20 0 BDADHO COCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000261583061 135224391 /nfs/dbraw/zinc/22/43/91/135224391.db2.gz OUYUDVFIAVSSJR-NEPJUHHUSA-N 1 3 228.380 1.766 20 0 BDADHO C[N@H+](C[C@H]1CCCC[C@@H]1O)CC(C)(C)N ZINC000261589081 135230131 /nfs/dbraw/zinc/23/01/31/135230131.db2.gz SXELNQSYVOZCIK-MNOVXSKESA-N 1 3 214.353 1.207 20 0 BDADHO C[N@@H+](C[C@H]1CCCC[C@@H]1O)CC(C)(C)N ZINC000261589081 135230132 /nfs/dbraw/zinc/23/01/32/135230132.db2.gz SXELNQSYVOZCIK-MNOVXSKESA-N 1 3 214.353 1.207 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H]1CCCNC1 ZINC000261591161 135231946 /nfs/dbraw/zinc/23/19/46/135231946.db2.gz VCQZCABLUQSLFG-AVGNSLFASA-N 1 3 226.364 1.221 20 0 BDADHO C[C@H](O)C[C@@H]1CCC[N@H+]1C[C@H]1CCCNC1 ZINC000261591161 135231947 /nfs/dbraw/zinc/23/19/47/135231947.db2.gz VCQZCABLUQSLFG-AVGNSLFASA-N 1 3 226.364 1.221 20 0 BDADHO CC1(C)CNCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000261593583 135233967 /nfs/dbraw/zinc/23/39/67/135233967.db2.gz WYHCBKHEUUYBEP-RYUDHWBXSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)[C@@H]1CN(CCOCC[NH3+])CCS1 ZINC000261598045 135237199 /nfs/dbraw/zinc/23/71/99/135237199.db2.gz ZJDCLIFSKNJQRW-NSHDSACASA-N 1 3 232.393 1.035 20 0 BDADHO [NH3+]CCN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261606028 135238004 /nfs/dbraw/zinc/23/80/04/135238004.db2.gz BFLLZDGBRWJZSG-LBPRGKRZSA-N 1 3 239.750 1.245 20 0 BDADHO C[C@@H](CN(C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000261547174 135240304 /nfs/dbraw/zinc/24/03/04/135240304.db2.gz LZCJRMHMIYKEGF-DZGCQCFKSA-N 1 3 247.386 1.458 20 0 BDADHO COCC(C)(C)C[N@@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000261782192 135252703 /nfs/dbraw/zinc/25/27/03/135252703.db2.gz FNBZGENQCBBIKH-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)C[N@H+]1CCC[C@@H]([C@@H](C)N)C1 ZINC000261782192 135252705 /nfs/dbraw/zinc/25/27/05/135252705.db2.gz FNBZGENQCBBIKH-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO COCC(C)(C)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261782192 135252707 /nfs/dbraw/zinc/25/27/07/135252707.db2.gz FNBZGENQCBBIKH-VXGBXAGGSA-N 1 3 228.380 1.718 20 0 BDADHO C[C@]1(CN(C[C@@H]2CCOC2)C2CC2)CC[NH2+]C1 ZINC000261871913 135258737 /nfs/dbraw/zinc/25/87/37/135258737.db2.gz OZWXSKINKUUBCX-JSGCOSHPSA-N 1 3 238.375 1.487 20 0 BDADHO Cc1ccccc1CCC[N@H+](CCN)CCO ZINC000342401325 135271819 /nfs/dbraw/zinc/27/18/19/135271819.db2.gz NDTHQLGPEISXKL-UHFFFAOYSA-N 1 3 236.359 1.181 20 0 BDADHO Cc1ccccc1CCC[N@@H+](CCN)CCO ZINC000342401325 135271820 /nfs/dbraw/zinc/27/18/20/135271820.db2.gz NDTHQLGPEISXKL-UHFFFAOYSA-N 1 3 236.359 1.181 20 0 BDADHO CN(CC[C@@H]1CCOC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007756 135272045 /nfs/dbraw/zinc/27/20/45/135272045.db2.gz USVVRGSEVFUSSU-HABKJSAYSA-N 1 3 238.375 1.628 20 0 BDADHO COC[C@@H]1CCCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044701 135275670 /nfs/dbraw/zinc/27/56/70/135275670.db2.gz PPJNTWBATUJNHI-ZIAGYGMSSA-N 1 3 240.391 1.735 20 0 BDADHO COC[C@H]1CCCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262044699 135275934 /nfs/dbraw/zinc/27/59/34/135275934.db2.gz PPJNTWBATUJNHI-UONOGXRCSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@H]([NH3+])CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000262297476 135291624 /nfs/dbraw/zinc/29/16/24/135291624.db2.gz WWPUUXALLLTQBY-ZWNOBZJWSA-N 1 3 237.322 1.119 20 0 BDADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000262589641 135307298 /nfs/dbraw/zinc/30/72/98/135307298.db2.gz QNCJRQHLHDBQIS-WZRBSPASSA-N 1 3 241.379 1.090 20 0 BDADHO [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000335388464 136089862 /nfs/dbraw/zinc/08/98/62/136089862.db2.gz VEQIYBLHOTVKPC-KLPPZKSPSA-N 1 3 245.326 1.008 20 0 BDADHO CC(C)[C@@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000066245129 397909965 /nfs/dbraw/zinc/90/99/65/397909965.db2.gz OKFVNSRBXCIJSY-GFCCVEGCSA-N 1 3 238.379 1.046 20 0 BDADHO [NH3+][C@H]1C[C@@H](NC[C@@H]2C[C@H](F)CN2)c2ccccc21 ZINC000643538212 397920356 /nfs/dbraw/zinc/92/03/56/397920356.db2.gz BOMSYCBCOSAPIN-TXFQPVFDSA-N 1 3 249.333 1.421 20 0 BDADHO COc1ccc([C@H]2CCN(CCC[NH3+])C2)cc1 ZINC000414689761 398019834 /nfs/dbraw/zinc/01/98/34/398019834.db2.gz GVTYXRQFLGYHRV-ZDUSSCGKSA-N 1 3 234.343 1.833 20 0 BDADHO C[C@H]([NH3+])CCNCc1cccc2c[nH]nc21 ZINC000414818215 398043425 /nfs/dbraw/zinc/04/34/25/398043425.db2.gz DFGDUHITMMUOPR-VIFPVBQESA-N 1 3 218.304 1.390 20 0 BDADHO CCC[N@H+](CCc1cn[nH]c1)C1CCNCC1 ZINC000384009061 398059300 /nfs/dbraw/zinc/05/93/00/398059300.db2.gz IISANEUSMNGKQU-UHFFFAOYSA-N 1 3 236.363 1.416 20 0 BDADHO CCC[N@@H+](CCc1cn[nH]c1)C1CCNCC1 ZINC000384009061 398059301 /nfs/dbraw/zinc/05/93/01/398059301.db2.gz IISANEUSMNGKQU-UHFFFAOYSA-N 1 3 236.363 1.416 20 0 BDADHO CCCN(CCc1cn[nH]c1)C1CC[NH2+]CC1 ZINC000384009061 398059303 /nfs/dbraw/zinc/05/93/03/398059303.db2.gz IISANEUSMNGKQU-UHFFFAOYSA-N 1 3 236.363 1.416 20 0 BDADHO CC(C)N1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000397851101 398123740 /nfs/dbraw/zinc/12/37/40/398123740.db2.gz UPMWYQXECOFMHQ-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO CC(C)[NH+]1CCC(NCC2(N(C)C)CC2)CC1 ZINC000397851101 398123742 /nfs/dbraw/zinc/12/37/42/398123742.db2.gz UPMWYQXECOFMHQ-UHFFFAOYSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@H]1CN(CCC[NH3+])c2cc(F)ccc2CN1 ZINC000334841488 487567308 /nfs/dbraw/zinc/56/73/08/487567308.db2.gz NQPGWXPYZBOKCO-JTQLQIEISA-N 1 3 237.322 1.473 20 0 BDADHO C(N[C@H]1CCCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000308866155 487571243 /nfs/dbraw/zinc/57/12/43/487571243.db2.gz XARUIWNZJSZGMK-RYUDHWBXSA-N 1 3 212.337 1.287 20 0 BDADHO CC(C)OCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000309420015 167215602 /nfs/dbraw/zinc/21/56/02/167215602.db2.gz JTCCATGKWTULIJ-NWDGAFQWSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000309420015 167215605 /nfs/dbraw/zinc/21/56/05/167215605.db2.gz JTCCATGKWTULIJ-NWDGAFQWSA-N 1 3 214.353 1.471 20 0 BDADHO CC(C)OCCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309420015 167215607 /nfs/dbraw/zinc/21/56/07/167215607.db2.gz JTCCATGKWTULIJ-NWDGAFQWSA-N 1 3 214.353 1.471 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000383099286 487587021 /nfs/dbraw/zinc/58/70/21/487587021.db2.gz ZOELDUUMQACSGO-RFQIPJPRSA-N 1 3 240.391 1.597 20 0 BDADHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000383099286 487587026 /nfs/dbraw/zinc/58/70/26/487587026.db2.gz ZOELDUUMQACSGO-RFQIPJPRSA-N 1 3 240.391 1.597 20 0 BDADHO CC(C)OC[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000336762686 167265148 /nfs/dbraw/zinc/26/51/48/167265148.db2.gz OJPCDFIMYWYVBH-NEPJUHHUSA-N 1 3 216.369 1.730 20 0 BDADHO C(C[C@H]1CCOC1)NC[C@H]1CCCC[NH2+]1 ZINC000232451544 487595321 /nfs/dbraw/zinc/59/53/21/487595321.db2.gz QCCAOSSPEKGOQX-NWDGAFQWSA-N 1 3 212.337 1.145 20 0 BDADHO CO[C@H](C[N@@H+]1CC[C@H](CN)C1)C1CCC1 ZINC000662246067 409542136 /nfs/dbraw/zinc/54/21/36/409542136.db2.gz NSKKGOYRBFAHJM-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO CO[C@H](C[N@H+]1CC[C@H](CN)C1)C1CCC1 ZINC000662246067 409542138 /nfs/dbraw/zinc/54/21/38/409542138.db2.gz NSKKGOYRBFAHJM-ZYHUDNBSSA-N 1 3 212.337 1.082 20 0 BDADHO CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249661 409548334 /nfs/dbraw/zinc/54/83/34/409548334.db2.gz RQUZQZVPCSJBKC-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662249661 409548343 /nfs/dbraw/zinc/54/83/43/409548343.db2.gz RQUZQZVPCSJBKC-STQMWFEESA-N 1 3 238.375 1.772 20 0 BDADHO CC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662251672 409548445 /nfs/dbraw/zinc/54/84/45/409548445.db2.gz DGVMTWQGCAXHSW-VXGBXAGGSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662251672 409548455 /nfs/dbraw/zinc/54/84/55/409548455.db2.gz DGVMTWQGCAXHSW-VXGBXAGGSA-N 1 3 224.348 1.382 20 0 BDADHO CC[C@@H](NC)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000662422108 409706110 /nfs/dbraw/zinc/70/61/10/409706110.db2.gz NCJUIUGYCWSAER-JOYOIKCWSA-N 1 3 235.331 1.643 20 0 BDADHO COC[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000131872951 409742563 /nfs/dbraw/zinc/74/25/63/409742563.db2.gz LHUHHPNTDAVJJS-NSHDSACASA-N 1 3 226.364 1.485 20 0 BDADHO CC[NH2+][C@H](C)CNC(=O)c1cccc2c1CNC2 ZINC000662558927 409758364 /nfs/dbraw/zinc/75/83/64/409758364.db2.gz MJWYFUBQJLGTHD-SNVBAGLBSA-N 1 3 247.342 1.018 20 0 BDADHO CCC[C@](C)(N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653268646 410322691 /nfs/dbraw/zinc/32/26/91/410322691.db2.gz YAFPFZKGPMMHKS-ZDUSSCGKSA-N 1 3 241.379 1.010 20 0 BDADHO C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709774 410338993 /nfs/dbraw/zinc/33/89/93/410338993.db2.gz PYNIRNBBBGPSTE-CYDGBPFRSA-N 1 3 208.349 1.703 20 0 BDADHO C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000650709774 410338998 /nfs/dbraw/zinc/33/89/98/410338998.db2.gz PYNIRNBBBGPSTE-CYDGBPFRSA-N 1 3 208.349 1.703 20 0 BDADHO [NH3+]CC1(CCNCc2cccc3c2OCO3)CC1 ZINC000650711811 410342871 /nfs/dbraw/zinc/34/28/71/410342871.db2.gz FEEHEFKMHGJAJC-UHFFFAOYSA-N 1 3 248.326 1.634 20 0 BDADHO c1ccc2c(c1)C[C@@H](N[C@@H]1CCC[NH2+]CC1)CN2 ZINC000650715174 410349906 /nfs/dbraw/zinc/34/99/06/410349906.db2.gz SLZQPIDISWNZEP-ZIAGYGMSSA-N 1 3 245.370 1.755 20 0 BDADHO CC(C)C[C@@H](N)C[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715331 410352067 /nfs/dbraw/zinc/35/20/67/410352067.db2.gz YNJBZXPIHXYQPG-ZIAGYGMSSA-N 1 3 247.386 1.986 20 0 BDADHO NCCC[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650721171 410358380 /nfs/dbraw/zinc/35/83/80/410358380.db2.gz TVQUGPBZDYYTJF-CYBMUJFWSA-N 1 3 233.359 1.742 20 0 BDADHO [NH3+]CCCNCC[C@H]1CCc2ccccc2N1 ZINC000650721171 410358382 /nfs/dbraw/zinc/35/83/82/410358382.db2.gz TVQUGPBZDYYTJF-CYBMUJFWSA-N 1 3 233.359 1.742 20 0 BDADHO C[C@@H](NCCC1(C[NH3+])CC1)c1nccs1 ZINC000650745325 410383183 /nfs/dbraw/zinc/38/31/83/410383183.db2.gz DKZCHJMRSFQKKW-SECBINFHSA-N 1 3 225.361 1.923 20 0 BDADHO CN(CCN1CCCCC1)C(=O)CCCC[NH3+] ZINC000653274903 410555478 /nfs/dbraw/zinc/55/54/78/410555478.db2.gz RSZDSXSITQVKPG-UHFFFAOYSA-N 1 3 241.379 1.060 20 0 BDADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(CC)C1 ZINC000309276213 410701402 /nfs/dbraw/zinc/70/14/02/410701402.db2.gz SCNOLNNIWDFORI-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@](C)(CC)C1 ZINC000309276213 410701405 /nfs/dbraw/zinc/70/14/05/410701405.db2.gz SCNOLNNIWDFORI-CHWSQXEVSA-N 1 3 228.380 1.421 20 0 BDADHO C[C@@H]1CCC[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)O1 ZINC000665265109 410736929 /nfs/dbraw/zinc/73/69/29/410736929.db2.gz PHTPUKKFJWYFOA-MROQNXINSA-N 1 3 226.364 1.804 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2CCCC[C@H]2CN)n1 ZINC000665274074 410742501 /nfs/dbraw/zinc/74/25/01/410742501.db2.gz JHADMQWUSDVKTB-GXTWGEPZSA-N 1 3 248.374 1.435 20 0 BDADHO Cc1cncc(CCN[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000665274074 410742507 /nfs/dbraw/zinc/74/25/07/410742507.db2.gz JHADMQWUSDVKTB-GXTWGEPZSA-N 1 3 248.374 1.435 20 0 BDADHO C[C@H]([NH2+]CC12CC(C1)CN2)C1CCCC1 ZINC000665277967 410750789 /nfs/dbraw/zinc/75/07/89/410750789.db2.gz RHKVJWZWMZGOJT-ZBOXLXRLSA-N 1 3 208.349 1.907 20 0 BDADHO C[C@H](NCC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000665277967 410750796 /nfs/dbraw/zinc/75/07/96/410750796.db2.gz RHKVJWZWMZGOJT-ZBOXLXRLSA-N 1 3 208.349 1.907 20 0 BDADHO C[NH2+]C[C@@H](C)N[C@H](C)CCCc1cccnc1 ZINC000665297372 410813731 /nfs/dbraw/zinc/81/37/31/410813731.db2.gz DVQLEPDPSPYPTC-CHWSQXEVSA-N 1 3 235.375 1.990 20 0 BDADHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H](C)N ZINC000037812232 169776628 /nfs/dbraw/zinc/77/66/28/169776628.db2.gz SKIPJFYDDCIZON-LBPRGKRZSA-N 1 3 243.395 1.160 20 0 BDADHO CC(C)OCCC[N@H+](C)C1CCNCC1 ZINC000336683501 167208064 /nfs/dbraw/zinc/20/80/64/167208064.db2.gz QPRNZAUBUCYYCV-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)OCCC[N@@H+](C)C1CCNCC1 ZINC000336683501 167208067 /nfs/dbraw/zinc/20/80/67/167208067.db2.gz QPRNZAUBUCYYCV-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)OCCCN(C)C1CC[NH2+]CC1 ZINC000336683501 167208070 /nfs/dbraw/zinc/20/80/70/167208070.db2.gz QPRNZAUBUCYYCV-UHFFFAOYSA-N 1 3 214.353 1.485 20 0 BDADHO CC(C)OCCC[NH2+][C@H]1CCNCC1(C)C ZINC000300915304 167226330 /nfs/dbraw/zinc/22/63/30/167226330.db2.gz XYPPYOPJCLCCIJ-LBPRGKRZSA-N 1 3 228.380 1.779 20 0 BDADHO CC(C)OCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000370696376 167230594 /nfs/dbraw/zinc/23/05/94/167230594.db2.gz GDDSQZYAOCKWGY-CYBMUJFWSA-N 1 3 228.380 1.828 20 0 BDADHO CC(C)OCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000370696376 167230598 /nfs/dbraw/zinc/23/05/98/167230598.db2.gz GDDSQZYAOCKWGY-CYBMUJFWSA-N 1 3 228.380 1.828 20 0 BDADHO CC(C)OCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000128144222 167246362 /nfs/dbraw/zinc/24/63/62/167246362.db2.gz QKNWLXXHBUJCKX-RYUDHWBXSA-N 1 3 214.353 1.484 20 0 BDADHO CC(C)OCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000128144222 167246365 /nfs/dbraw/zinc/24/63/65/167246365.db2.gz QKNWLXXHBUJCKX-RYUDHWBXSA-N 1 3 214.353 1.484 20 0 BDADHO CCCN(CCN(C)C)C(=O)C1([NH3+])CCCC1 ZINC000041680274 410933280 /nfs/dbraw/zinc/93/32/80/410933280.db2.gz QNYAADUKAGXDMI-UHFFFAOYSA-N 1 3 241.379 1.058 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)C1O ZINC000661620993 411070834 /nfs/dbraw/zinc/07/08/34/411070834.db2.gz CADKCMKRECINNT-UPJWGTAASA-N 1 3 240.391 1.419 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)C1O ZINC000661620993 411070835 /nfs/dbraw/zinc/07/08/35/411070835.db2.gz CADKCMKRECINNT-UPJWGTAASA-N 1 3 240.391 1.419 20 0 BDADHO CC(C)CN(C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000651865781 411148020 /nfs/dbraw/zinc/14/80/20/411148020.db2.gz HMZWRVZMIUVIKS-KBPBESRZSA-N 1 3 242.407 1.979 20 0 BDADHO C[N@H+]1CC=C(CN[C@H]2CCCn3nccc32)CC1 ZINC000657938987 411174078 /nfs/dbraw/zinc/17/40/78/411174078.db2.gz SJXZGIJYAJNQBC-ZDUSSCGKSA-N 1 3 246.358 1.570 20 0 BDADHO C[N@@H+]1CC=C(CN[C@H]2CCCn3nccc32)CC1 ZINC000657938987 411174082 /nfs/dbraw/zinc/17/40/82/411174082.db2.gz SJXZGIJYAJNQBC-ZDUSSCGKSA-N 1 3 246.358 1.570 20 0 BDADHO C[C@H]1CC[C@@H]([NH2+]CCOCCN(C)C)CS1 ZINC000655757573 411189222 /nfs/dbraw/zinc/18/92/22/411189222.db2.gz JDYQIVASUCLTBL-NWDGAFQWSA-N 1 3 246.420 1.438 20 0 BDADHO CCO[C@@H]1CN(CCCC(C)C)C[C@H]1C[NH3+] ZINC000405837940 411191818 /nfs/dbraw/zinc/19/18/18/411191818.db2.gz DEOZQNJTKPRXIG-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1CN ZINC000405837940 411191819 /nfs/dbraw/zinc/19/18/19/411191819.db2.gz DEOZQNJTKPRXIG-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO CCO[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1CN ZINC000405837940 411191820 /nfs/dbraw/zinc/19/18/20/411191820.db2.gz DEOZQNJTKPRXIG-CHWSQXEVSA-N 1 3 228.380 1.718 20 0 BDADHO COC1([C@H](C)[NH2+]C[C@H](C)CN(C)C)CCC1 ZINC000658018235 411198418 /nfs/dbraw/zinc/19/84/18/411198418.db2.gz PLLRCOGCXLWURJ-RYUDHWBXSA-N 1 3 228.380 1.731 20 0 BDADHO C[C@H](Cc1ccccn1)N[C@@H]1CCC[NH2+]CC1 ZINC000656193909 411199221 /nfs/dbraw/zinc/19/92/21/411199221.db2.gz YGGPNMFYWXXPOK-CHWSQXEVSA-N 1 3 233.359 1.744 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656199856 411204774 /nfs/dbraw/zinc/20/47/74/411204774.db2.gz AJUDAMUXWWYKJY-KKOKHZNYSA-N 1 3 212.337 1.413 20 0 BDADHO C[C@H]1CCCN(Cc2ccnc(N)c2)[C@@H]1CC[NH3+] ZINC000652355990 411215321 /nfs/dbraw/zinc/21/53/21/411215321.db2.gz ORGBXZSNNQZVMK-WCQYABFASA-N 1 3 248.374 1.443 20 0 BDADHO CC[C@@H]1OCC[C@H]1N[C@H](C)C[C@H](C)[NH3+] ZINC000423173684 411236117 /nfs/dbraw/zinc/23/61/17/411236117.db2.gz ZRWBRBADOTYIKG-ZDCRXTMVSA-N 1 3 200.326 1.269 20 0 BDADHO CCC[C@H](N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457168 411266880 /nfs/dbraw/zinc/26/68/80/411266880.db2.gz QPTAGMNLWXTXGW-JTQLQIEISA-N 1 3 223.324 1.003 20 0 BDADHO CCN(C[C@H]1CC[NH2+]C1)[C@H]1CCCOC1 ZINC000402606140 411272838 /nfs/dbraw/zinc/27/28/38/411272838.db2.gz ULYMXMXAHZFFPI-RYUDHWBXSA-N 1 3 212.337 1.097 20 0 BDADHO c1c(CNC2CCCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468109 411279520 /nfs/dbraw/zinc/27/95/20/411279520.db2.gz UKMBISLHURVLSJ-CYBMUJFWSA-N 1 3 249.362 1.235 20 0 BDADHO C[C@H]1CNC[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC000401717632 411299442 /nfs/dbraw/zinc/29/94/42/411299442.db2.gz BXQDFEWQTLSWHH-HIFRSBDPSA-N 1 3 248.370 1.791 20 0 BDADHO C[NH+](C)CCCCN[C@H]1CCCn2ccnc21 ZINC000655702921 411253335 /nfs/dbraw/zinc/25/33/35/411253335.db2.gz GJPIMQGZJVHVCH-LBPRGKRZSA-N 1 3 236.363 1.649 20 0 BDADHO C([C@@H]1C[C@H]2C[C@H]2C1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659850429 411342332 /nfs/dbraw/zinc/34/23/32/411342332.db2.gz PMSINIXMUVPRIY-NZEXEKPDSA-N 1 3 206.333 1.184 20 0 BDADHO CC1(CN2CC[C@@H](C[NH+]3CCCC3)C2)COC1 ZINC000336689750 168026968 /nfs/dbraw/zinc/02/69/68/168026968.db2.gz HUXRKNRDEUDFDW-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO CC1(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)COC1 ZINC000336689750 168026972 /nfs/dbraw/zinc/02/69/72/168026972.db2.gz HUXRKNRDEUDFDW-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO CC1(C[N@H+]2CC[C@@H](CN3CCCC3)C2)COC1 ZINC000336689750 168026973 /nfs/dbraw/zinc/02/69/73/168026973.db2.gz HUXRKNRDEUDFDW-ZDUSSCGKSA-N 1 3 238.375 1.441 20 0 BDADHO CC(C)O[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000404625107 411402827 /nfs/dbraw/zinc/40/28/27/411402827.db2.gz CDXAXNSWQYPPMP-QWHCGFSZSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H]1C[C@H](NCCC[NH+](C)C)CO1 ZINC000657287740 411446587 /nfs/dbraw/zinc/44/65/87/411446587.db2.gz ULFCVOJICMKKPX-QWRGUYRKSA-N 1 3 200.326 1.095 20 0 BDADHO CC(C)C[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000307846065 411486899 /nfs/dbraw/zinc/48/68/99/411486899.db2.gz QVBRORXLJGKIGA-CHWSQXEVSA-N 1 3 210.365 1.964 20 0 BDADHO CNCc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000127623682 411498240 /nfs/dbraw/zinc/49/82/40/411498240.db2.gz SDMXXMZTWYPVAI-NSHDSACASA-N 1 3 247.342 1.344 20 0 BDADHO CC[NH2+]CC1CCN([C@@H](C)c2cnccn2)CC1 ZINC000131462322 411534148 /nfs/dbraw/zinc/53/41/48/411534148.db2.gz INCCOKGOFDTISA-LBPRGKRZSA-N 1 3 248.374 1.859 20 0 BDADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccncn1 ZINC000655802533 411518567 /nfs/dbraw/zinc/51/85/67/411518567.db2.gz FPWITXSCWZKQCX-UTUOFQBUSA-N 1 3 234.347 1.467 20 0 BDADHO CC[C@@H]1C[C@H](NC[C@@H](C)C[NH+](C)C)CO1 ZINC000657472175 411523374 /nfs/dbraw/zinc/52/33/74/411523374.db2.gz OHMVYJCHFVXXLW-GRYCIOLGSA-N 1 3 214.353 1.341 20 0 BDADHO CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371299446 170004378 /nfs/dbraw/zinc/00/43/78/170004378.db2.gz HAWMDVSBFFVRPD-SDDRHHMPSA-N 1 3 212.337 1.190 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C[C@H]2CCC=CO2)C1 ZINC000250332553 170007949 /nfs/dbraw/zinc/00/79/49/170007949.db2.gz ORCAHGSLGJRTPG-QWHCGFSZSA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@@H+]1CC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000250332553 170007950 /nfs/dbraw/zinc/00/79/50/170007950.db2.gz ORCAHGSLGJRTPG-QWHCGFSZSA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@H+]1CC[C@@H](CNC[C@H]2CCC=CO2)C1 ZINC000250332553 170007951 /nfs/dbraw/zinc/00/79/51/170007951.db2.gz ORCAHGSLGJRTPG-QWHCGFSZSA-N 1 3 224.348 1.611 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCOC2(C)C)C1 ZINC000328440708 170009055 /nfs/dbraw/zinc/00/90/55/170009055.db2.gz MJWXFPQWAMTDLR-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CCC=CO2)C1 ZINC000050269130 170015890 /nfs/dbraw/zinc/01/58/90/170015890.db2.gz ORCAHGSLGJRTPG-OLZOCXBDSA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@@H+]1CC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269130 170015892 /nfs/dbraw/zinc/01/58/92/170015892.db2.gz ORCAHGSLGJRTPG-OLZOCXBDSA-N 1 3 224.348 1.611 20 0 BDADHO CC[N@H+]1CC[C@H](CNC[C@@H]2CCC=CO2)C1 ZINC000050269130 170015893 /nfs/dbraw/zinc/01/58/93/170015893.db2.gz ORCAHGSLGJRTPG-OLZOCXBDSA-N 1 3 224.348 1.611 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000356855251 170016779 /nfs/dbraw/zinc/01/67/79/170016779.db2.gz UZYCBNVVYWJZDO-MJBXVCDLSA-N 1 3 240.391 1.733 20 0 BDADHO CCN1CC[C@H](C[NH2+][C@H]2CCCSC2)C1 ZINC000250337723 170016815 /nfs/dbraw/zinc/01/68/15/170016815.db2.gz PHZLQACNPGKFEQ-NEPJUHHUSA-N 1 3 228.405 1.813 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](C)O)C[C@H]1C ZINC000336691410 170017851 /nfs/dbraw/zinc/01/78/51/170017851.db2.gz LNZMECABCNOBID-UTUOFQBUSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](C)O)C[C@H]1C ZINC000336691410 170017853 /nfs/dbraw/zinc/01/78/53/170017853.db2.gz LNZMECABCNOBID-UTUOFQBUSA-N 1 3 214.353 1.172 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)C(C)C)C[C@@H]1C ZINC000336710124 170017961 /nfs/dbraw/zinc/01/79/61/170017961.db2.gz OUVFDSAHVKAFNK-MELADBBJSA-N 1 3 242.407 1.808 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)C(C)C)C[C@@H]1C ZINC000336710124 170017963 /nfs/dbraw/zinc/01/79/63/170017963.db2.gz OUVFDSAHVKAFNK-MELADBBJSA-N 1 3 242.407 1.808 20 0 BDADHO CC[N@@H+]1CC[C@H](N(C)CC[C@H](C)O)C[C@H]1C ZINC000336662605 170019651 /nfs/dbraw/zinc/01/96/51/170019651.db2.gz CMAVVFZOUFKLPV-AGIUHOORSA-N 1 3 228.380 1.562 20 0 BDADHO CC[N@H+]1CC[C@H](N(C)CC[C@H](C)O)C[C@H]1C ZINC000336662605 170019652 /nfs/dbraw/zinc/01/96/52/170019652.db2.gz CMAVVFZOUFKLPV-AGIUHOORSA-N 1 3 228.380 1.562 20 0 BDADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc3n(n2)CCC3)C1 ZINC000657504138 411539037 /nfs/dbraw/zinc/53/90/37/411539037.db2.gz CPFOCBTUQOIXFL-VDISTLRHSA-N 1 3 248.374 1.259 20 0 BDADHO CC[NH2+]CC1CCN(Cc2cncn2C)CC1 ZINC000090233545 170111910 /nfs/dbraw/zinc/11/19/10/170111910.db2.gz NUKTVUULWUULHP-UHFFFAOYSA-N 1 3 236.363 1.242 20 0 BDADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(CO)CC1 ZINC000657606973 411561094 /nfs/dbraw/zinc/56/10/94/411561094.db2.gz FPXYLLNTIZDKCN-AVGNSLFASA-N 1 3 238.375 1.364 20 0 BDADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1(CO)CC1 ZINC000657606973 411561095 /nfs/dbraw/zinc/56/10/95/411561095.db2.gz FPXYLLNTIZDKCN-AVGNSLFASA-N 1 3 238.375 1.364 20 0 BDADHO CCOCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000082645428 170397545 /nfs/dbraw/zinc/39/75/45/170397545.db2.gz UQTCOSXEPWFCFC-GHMZBOCLSA-N 1 3 200.326 1.082 20 0 BDADHO CN(C)[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000660415842 411582209 /nfs/dbraw/zinc/58/22/09/411582209.db2.gz JTOCPGXQEYMJIG-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO CN(C)[C@H]1CCC[N@H+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000660415842 411582210 /nfs/dbraw/zinc/58/22/10/411582210.db2.gz JTOCPGXQEYMJIG-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO C[NH+](C)[C@H]1CCCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000660415842 411582211 /nfs/dbraw/zinc/58/22/11/411582211.db2.gz JTOCPGXQEYMJIG-BFHYXJOUSA-N 1 3 240.391 1.706 20 0 BDADHO CCN1CC[C@@H](C[NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000657843465 411610423 /nfs/dbraw/zinc/61/04/23/411610423.db2.gz ZCRGDJXCLORUNG-STQMWFEESA-N 1 3 240.391 1.875 20 0 BDADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCCF)C2 ZINC000660654921 411613704 /nfs/dbraw/zinc/61/37/04/411613704.db2.gz DBKNGYFIZAZCLQ-LBPRGKRZSA-N 1 3 214.328 1.764 20 0 BDADHO C[N@H+]1CC[C@]2(C1)CCCN(CCCF)C2 ZINC000660654921 411613705 /nfs/dbraw/zinc/61/37/05/411613705.db2.gz DBKNGYFIZAZCLQ-LBPRGKRZSA-N 1 3 214.328 1.764 20 0 BDADHO CC[C@@H](O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660021 411614479 /nfs/dbraw/zinc/61/44/79/411614479.db2.gz SLEBMCJAUFAYRZ-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO CC[C@@H](O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660021 411614480 /nfs/dbraw/zinc/61/44/80/411614480.db2.gz SLEBMCJAUFAYRZ-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[C@@H](CO)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665946 411615495 /nfs/dbraw/zinc/61/54/95/411615495.db2.gz ZZLZRAKPOPAFMK-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO C[C@@H](CO)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665946 411615497 /nfs/dbraw/zinc/61/54/97/411615497.db2.gz ZZLZRAKPOPAFMK-CHWSQXEVSA-N 1 3 226.364 1.033 20 0 BDADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)Cn1cccn1 ZINC000663503674 411687039 /nfs/dbraw/zinc/68/70/39/411687039.db2.gz RSRJEZXKLNAPGF-NWDGAFQWSA-N 1 3 224.352 1.235 20 0 BDADHO CN1CCC[C@H]1CC[NH2+][C@H](CO)C1CCC1 ZINC000661152236 411721039 /nfs/dbraw/zinc/72/10/39/411721039.db2.gz XAMLYFKBKXCECF-QWHCGFSZSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN[C@H](CO)C1CCC1 ZINC000661152236 411721042 /nfs/dbraw/zinc/72/10/42/411721042.db2.gz XAMLYFKBKXCECF-QWHCGFSZSA-N 1 3 226.364 1.221 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN[C@H](CO)C1CCC1 ZINC000661152236 411721046 /nfs/dbraw/zinc/72/10/46/411721046.db2.gz XAMLYFKBKXCECF-QWHCGFSZSA-N 1 3 226.364 1.221 20 0 BDADHO CO[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)C1CCC1 ZINC000662243231 412039448 /nfs/dbraw/zinc/03/94/48/412039448.db2.gz GYBUIDVWTLTTOI-KGYLQXTDSA-N 1 3 226.364 1.471 20 0 BDADHO C[C@@H]([NH3+])C1CCN(CCO[C@H]2CC2(F)F)CC1 ZINC000662247571 412044709 /nfs/dbraw/zinc/04/47/09/412044709.db2.gz XUSOMAKGOMLCSS-KOLCDFICSA-N 1 3 248.317 1.470 20 0 BDADHO CCC[C@H](C)[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252095 412049777 /nfs/dbraw/zinc/04/97/77/412049777.db2.gz JTJNUTCGQPFBRA-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO CCC[C@H](C)[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662252095 412049780 /nfs/dbraw/zinc/04/97/80/412049780.db2.gz JTJNUTCGQPFBRA-RYUDHWBXSA-N 1 3 226.364 1.628 20 0 BDADHO CC[C@@]1(C)CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258697 412054196 /nfs/dbraw/zinc/05/41/96/412054196.db2.gz ZCDBKUDNOPYZGB-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO CC[C@@]1(C)CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662258697 412054200 /nfs/dbraw/zinc/05/42/00/412054200.db2.gz ZCDBKUDNOPYZGB-OLZOCXBDSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662259154 412054883 /nfs/dbraw/zinc/05/48/83/412054883.db2.gz RBOKMRDZMSYQNP-UTUOFQBUSA-N 1 3 224.348 1.238 20 0 BDADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H]1C ZINC000662259154 412054886 /nfs/dbraw/zinc/05/48/86/412054886.db2.gz RBOKMRDZMSYQNP-UTUOFQBUSA-N 1 3 224.348 1.238 20 0 BDADHO CC(C)[C@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259143 412054893 /nfs/dbraw/zinc/05/48/93/412054893.db2.gz QUCPLVLMFXRJNR-QWHCGFSZSA-N 1 3 238.375 1.485 20 0 BDADHO CC(C)[C@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662259143 412054897 /nfs/dbraw/zinc/05/48/97/412054897.db2.gz QUCPLVLMFXRJNR-QWHCGFSZSA-N 1 3 238.375 1.485 20 0 BDADHO Cc1nc([C@@H](C)N2CCC[C@@H](CC[NH3+])C2)n[nH]1 ZINC000662272514 412062391 /nfs/dbraw/zinc/06/23/91/412062391.db2.gz OJIRUMDFKABXDV-KOLCDFICSA-N 1 3 237.351 1.235 20 0 BDADHO Cc1nc([C@H](C)N2CCC[C@@H](CC[NH3+])C2)n[nH]1 ZINC000662272516 412062717 /nfs/dbraw/zinc/06/27/17/412062717.db2.gz OJIRUMDFKABXDV-ONGXEEELSA-N 1 3 237.351 1.235 20 0 BDADHO CCc1nocc1CN1CCC[C@H](CC[NH3+])C1 ZINC000662273139 412066161 /nfs/dbraw/zinc/06/61/61/412066161.db2.gz UEDUJLGICYXUNC-LLVKDONJSA-N 1 3 237.347 1.798 20 0 BDADHO Cc1nocc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000662282020 412072469 /nfs/dbraw/zinc/07/24/69/412072469.db2.gz AWPAPMDOVPLYSE-LLVKDONJSA-N 1 3 249.358 1.947 20 0 BDADHO CO[C@H](CN1CC[C@@H]([NH3+])C[C@H]1C)C1CCC1 ZINC000662284610 412074388 /nfs/dbraw/zinc/07/43/88/412074388.db2.gz NTTILEGLYQYGFU-RAIGVLPGSA-N 1 3 226.364 1.613 20 0 BDADHO CC[C@H](C)CN1CCC([N@H+](C)CCCO)CC1 ZINC000121110759 171279085 /nfs/dbraw/zinc/27/90/85/171279085.db2.gz GVAHUHGYBRNFFE-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H](C)CN1CCC([N@@H+](C)CCCO)CC1 ZINC000121110759 171279087 /nfs/dbraw/zinc/27/90/87/171279087.db2.gz GVAHUHGYBRNFFE-ZDUSSCGKSA-N 1 3 242.407 1.811 20 0 BDADHO CC[C@H](C)N(C)CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000361038485 171307360 /nfs/dbraw/zinc/30/73/60/171307360.db2.gz PDRUZIFOMQHFAQ-IHRRRGAJSA-N 1 3 241.423 1.647 20 0 BDADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000155246430 171393572 /nfs/dbraw/zinc/39/35/72/171393572.db2.gz ZMMVEMSHDVWMIW-SRVKXCTJSA-N 1 3 243.395 1.192 20 0 BDADHO CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@H]1CN)OC ZINC000362978259 171393609 /nfs/dbraw/zinc/39/36/09/171393609.db2.gz YMLQHEXXNIYWJP-CYDGBPFRSA-N 1 3 228.380 1.765 20 0 BDADHO C([C@@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCOC2 ZINC000662314203 412097098 /nfs/dbraw/zinc/09/70/98/412097098.db2.gz BPOHKBWWHUCTSY-OLZOCXBDSA-N 1 3 224.348 1.098 20 0 BDADHO C[NH+](C)CCC[C@@H]1CN(CC2CC2)CCO1 ZINC000662318955 412099083 /nfs/dbraw/zinc/09/90/83/412099083.db2.gz CBANCARXSQFTMZ-CYBMUJFWSA-N 1 3 226.364 1.439 20 0 BDADHO C[NH+](C)CCC[C@H]1CN(CCC2CC2)CCO1 ZINC000662320123 412100877 /nfs/dbraw/zinc/10/08/77/412100877.db2.gz QDMOLJIJPBBNDE-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO C[N@H+](C[C@@H]1CC1(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662331616 412105040 /nfs/dbraw/zinc/10/50/40/412105040.db2.gz OIWXLXVEWLWTNK-NWDGAFQWSA-N 1 3 238.375 1.485 20 0 BDADHO C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1CCC2(CNC2)O1 ZINC000662331616 412105043 /nfs/dbraw/zinc/10/50/43/412105043.db2.gz OIWXLXVEWLWTNK-NWDGAFQWSA-N 1 3 238.375 1.485 20 0 BDADHO NCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328224 412105279 /nfs/dbraw/zinc/10/52/79/412105279.db2.gz POEPVHVRZOBCKD-UHFFFAOYSA-N 1 3 202.301 1.566 20 0 BDADHO NCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328224 412105283 /nfs/dbraw/zinc/10/52/83/412105283.db2.gz POEPVHVRZOBCKD-UHFFFAOYSA-N 1 3 202.301 1.566 20 0 BDADHO CC[C@H](C[NH2+][C@H]1CCC[C@H]1CN)OC ZINC000308577081 171441099 /nfs/dbraw/zinc/44/10/99/171441099.db2.gz NFLYLGPVQCONKN-AXFHLTTASA-N 1 3 200.326 1.128 20 0 BDADHO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000665236817 412177169 /nfs/dbraw/zinc/17/71/69/412177169.db2.gz VCMIFKSZCQVIIO-SDDRHHMPSA-N 1 3 225.380 1.329 20 0 BDADHO Cc1ccncc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000665238995 412179729 /nfs/dbraw/zinc/17/97/29/412179729.db2.gz JWVOIECIKRKHQL-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO Cc1ccncc1CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000665238995 412179732 /nfs/dbraw/zinc/17/97/32/412179732.db2.gz JWVOIECIKRKHQL-KBPBESRZSA-N 1 3 233.359 1.792 20 0 BDADHO C1C[C@H]([NH2+][C@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CN1 ZINC000665242160 412184682 /nfs/dbraw/zinc/18/46/82/412184682.db2.gz MGHJNHAPLLYXMD-MQYQWHSLSA-N 1 3 238.375 1.533 20 0 BDADHO CC[C@@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665261850 412204233 /nfs/dbraw/zinc/20/42/33/412204233.db2.gz NCFAYMQSUVPCPF-XJFOESAGSA-N 1 3 240.391 1.658 20 0 BDADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccoc1 ZINC000665261888 412204654 /nfs/dbraw/zinc/20/46/54/412204654.db2.gz NYSCHLJEXUHEBN-AAEUAGOBSA-N 1 3 222.332 1.800 20 0 BDADHO CC[C@@H](O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262331 412205718 /nfs/dbraw/zinc/20/57/18/412205718.db2.gz YSYJIDAWXDDHMJ-YNEHKIRRSA-N 1 3 228.380 1.658 20 0 BDADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)co1 ZINC000665262981 412205823 /nfs/dbraw/zinc/20/58/23/412205823.db2.gz DAGRGQICLVTFLY-FUNVUKJBSA-N 1 3 220.316 1.695 20 0 BDADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccoc1 ZINC000665263555 412206752 /nfs/dbraw/zinc/20/67/52/412206752.db2.gz OZIJIFRGYMDWDF-RYUDHWBXSA-N 1 3 208.305 1.539 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCc1ccoc1 ZINC000665263555 412206755 /nfs/dbraw/zinc/20/67/55/412206755.db2.gz OZIJIFRGYMDWDF-RYUDHWBXSA-N 1 3 208.305 1.539 20 0 BDADHO C[C@]1(C[NH2+][C@H]2CCC[C@H]2CN)CC1(F)F ZINC000665265021 412208643 /nfs/dbraw/zinc/20/86/43/412208643.db2.gz NXWNQBABLFRHPJ-LPEHRKFASA-N 1 3 218.291 1.749 20 0 BDADHO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)C1CNC1 ZINC000665266406 412209582 /nfs/dbraw/zinc/20/95/82/412209582.db2.gz APRFLYKZKWSISD-WCBMZHEXSA-N 1 3 218.291 1.619 20 0 BDADHO CC[NH2+]Cc1cccc(NC(=O)CNC(C)C)c1 ZINC000662399407 412149501 /nfs/dbraw/zinc/14/95/01/412149501.db2.gz SRRYGGQTMCQNMF-UHFFFAOYSA-N 1 3 249.358 1.733 20 0 BDADHO COC1CC(CC[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000665229946 412169080 /nfs/dbraw/zinc/16/90/80/412169080.db2.gz GUNIXHBYHXBVEY-FKZOYECMSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(N)c1 ZINC000665232365 412169682 /nfs/dbraw/zinc/16/96/82/412169682.db2.gz LTEGMTVIKICFIJ-BXUZGUMPSA-N 1 3 233.359 1.747 20 0 BDADHO C[C@@H](NC[C@H](C)c1ccccn1)C1C[NH2+]C1 ZINC000665232574 412169759 /nfs/dbraw/zinc/16/97/59/412169759.db2.gz PJLXDWGEQWJODR-WDEREUQCSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)C1CNC1 ZINC000665232574 412169760 /nfs/dbraw/zinc/16/97/60/412169760.db2.gz PJLXDWGEQWJODR-WDEREUQCSA-N 1 3 219.332 1.383 20 0 BDADHO C[C@@H]([NH3+])C[C@H](C)NCc1cccc(N)c1 ZINC000665231963 412170002 /nfs/dbraw/zinc/17/00/02/412170002.db2.gz CARMBKKACNYSJY-ZJUUUORDSA-N 1 3 207.321 1.484 20 0 BDADHO Nc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000665232049 412170853 /nfs/dbraw/zinc/17/08/53/412170853.db2.gz FBZLAXXAPZJBCR-TZMCWYRMSA-N 1 3 233.359 1.876 20 0 BDADHO C[C@H]1C[C@@H](NCc2cccc(N)c2)CC[N@@H+]1C ZINC000665233864 412172707 /nfs/dbraw/zinc/17/27/07/412172707.db2.gz RKGYZYAHWBGLLO-FZMZJTMJSA-N 1 3 233.359 1.841 20 0 BDADHO C[C@H]1C[C@@H](NCc2cccc(N)c2)CC[N@H+]1C ZINC000665233864 412172712 /nfs/dbraw/zinc/17/27/12/412172712.db2.gz RKGYZYAHWBGLLO-FZMZJTMJSA-N 1 3 233.359 1.841 20 0 BDADHO Cc1cncc(CCN[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000665273677 412216026 /nfs/dbraw/zinc/21/60/26/412216026.db2.gz BNLIITLHDFBOMH-WCQYABFASA-N 1 3 234.347 1.045 20 0 BDADHO Cc1cncc(CC[NH2+][C@@H]2CCC[C@H]2CN)n1 ZINC000665273677 412216030 /nfs/dbraw/zinc/21/60/30/412216030.db2.gz BNLIITLHDFBOMH-WCQYABFASA-N 1 3 234.347 1.045 20 0 BDADHO CC[C@H](NC)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000662555930 412216647 /nfs/dbraw/zinc/21/66/47/412216647.db2.gz YEHLQVAUNWCKKE-NSHDSACASA-N 1 3 221.304 1.082 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCCOC1 ZINC000665279046 412222596 /nfs/dbraw/zinc/22/25/96/412222596.db2.gz VSOLYPMAGROIAD-CQLXCSJHSA-N 1 3 224.348 1.143 20 0 BDADHO CC(C)[C@H](Cn1cccn1)[NH2+]CC12CC(C1)CN2 ZINC000665280361 412224283 /nfs/dbraw/zinc/22/42/83/412224283.db2.gz ZQJVACXXDSDHSH-MOKVOYLWSA-N 1 3 248.374 1.249 20 0 BDADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1ccco1 ZINC000665283763 412228971 /nfs/dbraw/zinc/22/89/71/412228971.db2.gz UNKVBYCOXUTSLZ-GHMZBOCLSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1ccco1 ZINC000665283763 412228975 /nfs/dbraw/zinc/22/89/75/412228975.db2.gz UNKVBYCOXUTSLZ-GHMZBOCLSA-N 1 3 210.321 1.928 20 0 BDADHO C[C@H](CCCC[NH3+])N[C@@H](C)c1nccn1C ZINC000665283917 412229162 /nfs/dbraw/zinc/22/91/62/412229162.db2.gz XCMAIUNVCYVRFV-MNOVXSKESA-N 1 3 224.352 1.588 20 0 BDADHO NC[C@H]1CCC[C@H]1[NH2+]CCCc1ccco1 ZINC000665283851 412229693 /nfs/dbraw/zinc/22/96/93/412229693.db2.gz WEFPFRBSQAHSGC-DGCLKSJQSA-N 1 3 222.332 1.929 20 0 BDADHO CCn1cc(CN2CCC[C@H](CC[NH3+])C2)cn1 ZINC000070074161 172163999 /nfs/dbraw/zinc/16/39/99/172163999.db2.gz ISYBCTYWKMLHBK-GFCCVEGCSA-N 1 3 236.363 1.464 20 0 BDADHO CN(C)C(C)(C)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127757015 172398575 /nfs/dbraw/zinc/39/85/75/172398575.db2.gz ACADFWCLNGWPQD-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CN(C)C(C)(C)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000127757015 172398577 /nfs/dbraw/zinc/39/85/77/172398577.db2.gz ACADFWCLNGWPQD-QWHCGFSZSA-N 1 3 239.407 1.543 20 0 BDADHO CN(CCC[NH+]1CCCCC1)[C@H]1CCC[C@H]1O ZINC000352665061 172706705 /nfs/dbraw/zinc/70/67/05/172706705.db2.gz DEVKFXBFFCBGPE-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO CN1CC[C@@H](N2C[C@H](CC[NH3+])c3ccccc32)C1 ZINC000063127444 173121776 /nfs/dbraw/zinc/12/17/76/173121776.db2.gz ZAHMWZPUIBAAFL-QWHCGFSZSA-N 1 3 245.370 1.643 20 0 BDADHO C[N@@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@H]2CCC[C@@H]21 ZINC000353521518 173151890 /nfs/dbraw/zinc/15/18/90/173151890.db2.gz PWHVHQRTTFFBNR-RCWTZXSCSA-N 1 3 248.317 1.075 20 0 BDADHO C[N@H+]1CC[C@H](NC[C@H](O)C(F)F)[C@H]2CCC[C@@H]21 ZINC000353521518 173151892 /nfs/dbraw/zinc/15/18/92/173151892.db2.gz PWHVHQRTTFFBNR-RCWTZXSCSA-N 1 3 248.317 1.075 20 0 BDADHO CN1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@H]2CCC[C@@H]21 ZINC000353521518 173151894 /nfs/dbraw/zinc/15/18/94/173151894.db2.gz PWHVHQRTTFFBNR-RCWTZXSCSA-N 1 3 248.317 1.075 20 0 BDADHO C[N@@H+]1CC[C@]2(CCN(CC3(C)COC3)C2)C1 ZINC000336664947 173168238 /nfs/dbraw/zinc/16/82/38/173168238.db2.gz LFEIXCQUTPITFK-ZDUSSCGKSA-N 1 3 224.348 1.051 20 0 BDADHO C[N@H+]1CC[C@]2(CCN(CC3(C)COC3)C2)C1 ZINC000336664947 173168240 /nfs/dbraw/zinc/16/82/40/173168240.db2.gz LFEIXCQUTPITFK-ZDUSSCGKSA-N 1 3 224.348 1.051 20 0 BDADHO C[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC000052170975 173322868 /nfs/dbraw/zinc/32/28/68/173322868.db2.gz XHWZDBLEWUWKMG-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO CNC1CC[NH+](CC2CCOCC2)CC1 ZINC000052170975 173322870 /nfs/dbraw/zinc/32/28/70/173322870.db2.gz XHWZDBLEWUWKMG-UHFFFAOYSA-N 1 3 212.337 1.097 20 0 BDADHO C[NH2+]CC1CCN(Cc2cnc(C)s2)CC1 ZINC000063166283 173338793 /nfs/dbraw/zinc/33/87/93/173338793.db2.gz GSXHZKHFTWIMGA-UHFFFAOYSA-N 1 3 239.388 1.883 20 0 BDADHO C[NH2+]C[C@@H]1CCN(CCCCCF)C1 ZINC000308481677 173370147 /nfs/dbraw/zinc/37/01/47/173370147.db2.gz NAJXNRYICOJGHB-NSHDSACASA-N 1 3 202.317 1.668 20 0 BDADHO C[NH2+]C[C@H]1CCN(CC[C@@H]2CCCCO2)C1 ZINC000223650650 173381718 /nfs/dbraw/zinc/38/17/18/173381718.db2.gz DMCQVHFLWACOOH-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO COCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000069633086 174120022 /nfs/dbraw/zinc/12/00/22/174120022.db2.gz FYRSJVSDJMLABK-CYBMUJFWSA-N 1 3 226.364 1.344 20 0 BDADHO COCCC(C)(C)C[NH2+][C@H]1CCNC1 ZINC000234692449 174144359 /nfs/dbraw/zinc/14/43/59/174144359.db2.gz YUFWWKCSLIAOHA-JTQLQIEISA-N 1 3 200.326 1.001 20 0 BDADHO COCCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000117883634 174192683 /nfs/dbraw/zinc/19/26/83/174192683.db2.gz IUYNYKBWPHBHSK-LBPRGKRZSA-N 1 3 214.353 1.297 20 0 BDADHO COCCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000117883636 174193902 /nfs/dbraw/zinc/19/39/02/174193902.db2.gz IUYNYKBWPHBHSK-GFCCVEGCSA-N 1 3 214.353 1.297 20 0 BDADHO COCC[N@H+](CC(C)C)C[C@H](N)CC(C)C ZINC000042370830 174287782 /nfs/dbraw/zinc/28/77/82/174287782.db2.gz FGKIVBQNRAQZIH-CYBMUJFWSA-N 1 3 230.396 1.964 20 0 BDADHO COCC[N@@H+](CC(C)C)C[C@H](N)CC(C)C ZINC000042370830 174287783 /nfs/dbraw/zinc/28/77/83/174287783.db2.gz FGKIVBQNRAQZIH-CYBMUJFWSA-N 1 3 230.396 1.964 20 0 BDADHO C[C@@H]1CC[N@H+](CCN2CCNCC2)[C@H](C)C1 ZINC000051732089 176171420 /nfs/dbraw/zinc/17/14/20/176171420.db2.gz JYJZSNLPKNKMBP-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CC[N@@H+](CCN2CCNCC2)[C@H](C)C1 ZINC000051732089 176171421 /nfs/dbraw/zinc/17/14/21/176171421.db2.gz JYJZSNLPKNKMBP-CHWSQXEVSA-N 1 3 225.380 1.012 20 0 BDADHO C[C@@H]1CN(C)CCN1CC[NH2+]C(C)(C)C ZINC000235475508 176267846 /nfs/dbraw/zinc/26/78/46/176267846.db2.gz MDDPSAHYGHVDCA-LLVKDONJSA-N 1 3 213.369 1.010 20 0 BDADHO C[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)N(C)C1CC1 ZINC000361183622 176271049 /nfs/dbraw/zinc/27/10/49/176271049.db2.gz ZGMDOTDAWXQROL-YRGRVCCFSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCN1CCCC1 ZINC000036908133 176278542 /nfs/dbraw/zinc/27/85/42/176278542.db2.gz ZNSVSRMSNJOANO-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCN1CCCC1 ZINC000036908133 176278543 /nfs/dbraw/zinc/27/85/43/176278543.db2.gz ZNSVSRMSNJOANO-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCN1CCCC1 ZINC000036908133 176278545 /nfs/dbraw/zinc/27/85/45/176278545.db2.gz ZNSVSRMSNJOANO-MGPQQGTHSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000036908597 176279150 /nfs/dbraw/zinc/27/91/50/176279150.db2.gz OYZLVNPZPCHLKQ-BZPMIXESSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@@H]1CN(CC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251694893 176294717 /nfs/dbraw/zinc/29/47/17/176294717.db2.gz IMXDXAUKJSDLQD-GRYCIOLGSA-N 1 3 212.337 1.225 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(C(C)(C)C)CC1 ZINC000104214930 176330209 /nfs/dbraw/zinc/33/02/09/176330209.db2.gz SNMGLSODZBPWBL-OLZOCXBDSA-N 1 3 239.407 1.258 20 0 BDADHO C[C@@H]1COCC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000309733765 176344293 /nfs/dbraw/zinc/34/42/93/176344293.db2.gz BUVIQXSGDQZPHM-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO C[NH2+]CCCNC[C@H]1CCOc2ccccc21 ZINC000228394394 487633578 /nfs/dbraw/zinc/63/35/78/487633578.db2.gz HVOLDBHWWRJIRC-GFCCVEGCSA-N 1 3 234.343 1.752 20 0 BDADHO C[C@@H]1C[C@@H](NCCCC[NH3+])c2nccn21 ZINC000345362092 176375653 /nfs/dbraw/zinc/37/56/53/176375653.db2.gz VDPHDCLJVOLIDB-NXEZZACHSA-N 1 3 208.309 1.217 20 0 BDADHO C[C@H](c1ccccc1)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313383727 177038275 /nfs/dbraw/zinc/03/82/75/177038275.db2.gz JKRVEHOBUXUYHI-OCCSQVGLSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@H](c1ccccc1)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313383727 177038277 /nfs/dbraw/zinc/03/82/77/177038277.db2.gz JKRVEHOBUXUYHI-OCCSQVGLSA-N 1 3 234.343 1.797 20 0 BDADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000352902877 177242020 /nfs/dbraw/zinc/24/20/20/177242020.db2.gz SPFLNQHMZATZCE-OUCADQQQSA-N 1 3 239.407 1.399 20 0 BDADHO C[C@H]1COCC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000309657733 177294924 /nfs/dbraw/zinc/29/49/24/177294924.db2.gz AHOMNORDUJCSIM-AAEUAGOBSA-N 1 3 224.348 1.263 20 0 BDADHO C[C@@H]1CN(CCC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000223217493 177301488 /nfs/dbraw/zinc/30/14/88/177301488.db2.gz NQPUKESXVSIXMQ-NWDGAFQWSA-N 1 3 226.364 1.485 20 0 BDADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccs1 ZINC000126712319 177324920 /nfs/dbraw/zinc/32/49/20/177324920.db2.gz NDKVMJFEXHNQOS-UWVGGRQHSA-N 1 3 210.346 1.917 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1CCOc1ccccc1 ZINC000132406910 177361222 /nfs/dbraw/zinc/36/12/22/177361222.db2.gz QSOBLXHFWHDKKA-QWHCGFSZSA-N 1 3 234.343 1.735 20 0 BDADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc2c[nH]nc2c1 ZINC000334141051 177361737 /nfs/dbraw/zinc/36/17/37/177361737.db2.gz DOQIKTSGDHRSQX-CMPLNLGQSA-N 1 3 244.342 1.732 20 0 BDADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCCC1 ZINC000036908132 177369317 /nfs/dbraw/zinc/36/93/17/177369317.db2.gz ZNSVSRMSNJOANO-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCN1CCCC1 ZINC000036908132 177369318 /nfs/dbraw/zinc/36/93/18/177369318.db2.gz ZNSVSRMSNJOANO-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCN1CCCC1 ZINC000036908132 177369320 /nfs/dbraw/zinc/36/93/20/177369320.db2.gz ZNSVSRMSNJOANO-RDBSUJKOSA-N 1 3 239.407 1.401 20 0 BDADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1cnccn1 ZINC000341901521 177370715 /nfs/dbraw/zinc/37/07/15/177370715.db2.gz YWNSGEWQDQZGNX-DYEKYZERSA-N 1 3 248.374 1.337 20 0 BDADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1cnccn1 ZINC000341901521 177370717 /nfs/dbraw/zinc/37/07/17/177370717.db2.gz YWNSGEWQDQZGNX-DYEKYZERSA-N 1 3 248.374 1.337 20 0 BDADHO CCCN1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000328276572 487641853 /nfs/dbraw/zinc/64/18/53/487641853.db2.gz QWUHCPJUENBEAU-MCIONIFRSA-N 1 3 239.407 1.543 20 0 BDADHO C[C@@H](NC1CCN(C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000400400144 225163706 /nfs/dbraw/zinc/16/37/06/225163706.db2.gz PMUWQTQYVMTWLN-BXUZGUMPSA-N 1 3 237.391 1.343 20 0 BDADHO C[C@H](NCCN1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000400720068 226350213 /nfs/dbraw/zinc/35/02/13/226350213.db2.gz OGDBREQXZZXCSF-QWHCGFSZSA-N 1 3 225.380 1.202 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000401640209 226360609 /nfs/dbraw/zinc/36/06/09/226360609.db2.gz DVYVADPMXFUNEL-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1C[C@H](O)CN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000401640209 226360610 /nfs/dbraw/zinc/36/06/10/226360610.db2.gz DVYVADPMXFUNEL-RDBSUJKOSA-N 1 3 240.391 1.564 20 0 BDADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCc1cncn1C ZINC000314401036 487665438 /nfs/dbraw/zinc/66/54/38/487665438.db2.gz TWNBSKUCMBUXCO-VXGBXAGGSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCc1cncn1C ZINC000314401036 487665442 /nfs/dbraw/zinc/66/54/42/487665442.db2.gz TWNBSKUCMBUXCO-VXGBXAGGSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCc1cncn1C ZINC000314401036 487665444 /nfs/dbraw/zinc/66/54/44/487665444.db2.gz TWNBSKUCMBUXCO-VXGBXAGGSA-N 1 3 236.363 1.022 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(CCCc2cncn2C)C1 ZINC000314980959 487669207 /nfs/dbraw/zinc/66/92/07/487669207.db2.gz XNMSAOJEDQLSFF-RYUDHWBXSA-N 1 3 236.363 1.022 20 0 BDADHO CCO[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000250483476 487732784 /nfs/dbraw/zinc/73/27/84/487732784.db2.gz GJRWQSGRFXYQMH-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO COCC[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000222631454 487742442 /nfs/dbraw/zinc/74/24/42/487742442.db2.gz XFOAUPHLXATCJG-MJBXVCDLSA-N 1 3 240.391 1.875 20 0 BDADHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)CC1CCCCC1 ZINC000662968019 487776314 /nfs/dbraw/zinc/77/63/14/487776314.db2.gz QBOVGDDXUPOJKI-CMPLNLGQSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]CCCN ZINC000415087489 487836520 /nfs/dbraw/zinc/83/65/20/487836520.db2.gz UTILGZVJDYQNIW-NEPJUHHUSA-N 1 3 228.380 1.766 20 0 BDADHO CC(C)[C@H](C[NH2+]CCCN)c1cccnc1 ZINC000415078322 487836722 /nfs/dbraw/zinc/83/67/22/487836722.db2.gz GLPKWLNVJCBRLD-ZDUSSCGKSA-N 1 3 221.348 1.760 20 0 BDADHO CC(C)[C@H](CNCCC[NH3+])c1cccnc1 ZINC000415078322 487836725 /nfs/dbraw/zinc/83/67/25/487836725.db2.gz GLPKWLNVJCBRLD-ZDUSSCGKSA-N 1 3 221.348 1.760 20 0 BDADHO C[C@@H]([NH3+])[C@H]1CCN(CCOCc2ccccc2)C1 ZINC000309912009 487847439 /nfs/dbraw/zinc/84/74/39/487847439.db2.gz SEDOYZFCQPYMML-HIFRSBDPSA-N 1 3 248.370 1.872 20 0 BDADHO CN(Cc1ccccc1)[C@H]1CCN(CCC[NH3+])C1 ZINC000666645405 487850642 /nfs/dbraw/zinc/85/06/42/487850642.db2.gz RVUBPUDIWXEWRS-HNNXBMFYSA-N 1 3 247.386 1.542 20 0 BDADHO [NH3+]C[C@H]1CC[C@H](CNCc2nccs2)CC1 ZINC000253107203 487851199 /nfs/dbraw/zinc/85/11/99/487851199.db2.gz BTKVHWLWRZBJFS-XYPYZODXSA-N 1 3 239.388 1.998 20 0 BDADHO CC(C)(N)C[NH2+]Cc1ccccc1-n1cncn1 ZINC000666750824 487870768 /nfs/dbraw/zinc/87/07/68/487870768.db2.gz GTMQPTVDVMUKDG-UHFFFAOYSA-N 1 3 245.330 1.094 20 0 BDADHO C[C@@H](C[NH3+])CNCc1cccc2cnccc21 ZINC000666826185 487887284 /nfs/dbraw/zinc/88/72/84/487887284.db2.gz PVYJVQZSJMWUMQ-NSHDSACASA-N 1 3 229.327 1.919 20 0 BDADHO C[C@H](CN)[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666866764 487894167 /nfs/dbraw/zinc/89/41/67/487894167.db2.gz NPUHGECHVNEPJA-SNVBAGLBSA-N 1 3 247.342 1.016 20 0 BDADHO COC[C@@H](C)C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000666993785 487923559 /nfs/dbraw/zinc/92/35/59/487923559.db2.gz JVSFHRIJMRTNBY-NWDGAFQWSA-N 1 3 226.364 1.533 20 0 BDADHO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)[C@@H]1C ZINC000381084277 487931034 /nfs/dbraw/zinc/93/10/34/487931034.db2.gz SGQJPHXDTOHHRY-FRRDWIJNSA-N 1 3 228.380 1.418 20 0 BDADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C)[C@@H]1C ZINC000381084277 487931038 /nfs/dbraw/zinc/93/10/38/487931038.db2.gz SGQJPHXDTOHHRY-FRRDWIJNSA-N 1 3 228.380 1.418 20 0 BDADHO FC1(F)C[C@@]12CCN(C[C@@H]1CC[NH2+]C1)C2 ZINC000652364254 487932950 /nfs/dbraw/zinc/93/29/50/487932950.db2.gz BMYWDYSCIZAHLC-NXEZZACHSA-N 1 3 216.275 1.327 20 0 BDADHO Cn1cc2c(n1)CCC[C@@H]2N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000562962863 323036688 /nfs/dbraw/zinc/03/66/88/323036688.db2.gz UUZMCCOCFUTKAS-LOWVWBTDSA-N 1 3 248.374 1.657 20 0 BDADHO COC(=O)CC1([NH2+]CC[C@H]2CCCN2C)CC1 ZINC000572726005 323037426 /nfs/dbraw/zinc/03/74/26/323037426.db2.gz DPJSGYLWMREFIP-LLVKDONJSA-N 1 3 240.347 1.156 20 0 BDADHO CC[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000570330398 323056483 /nfs/dbraw/zinc/05/64/83/323056483.db2.gz QTJOEPKAMSBBDK-GZMMTYOYSA-N 1 3 221.304 1.382 20 0 BDADHO CCCN(CC[NH+](C)C)C(=O)[C@@H](CC)N(C)C ZINC000156046491 323064449 /nfs/dbraw/zinc/06/44/49/323064449.db2.gz RTXUDKUWVCUYSK-GFCCVEGCSA-N 1 3 243.395 1.127 20 0 BDADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000570649945 323066120 /nfs/dbraw/zinc/06/61/20/323066120.db2.gz NPRIAOCWJDODMP-CHWSQXEVSA-N 1 3 240.391 1.789 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCCO1 ZINC000390310894 323084275 /nfs/dbraw/zinc/08/42/75/323084275.db2.gz FWKQWDOFEUJTMM-XQQFMLRXSA-N 1 3 224.348 1.097 20 0 BDADHO CCN1CCC([NH2+]CCN2CC[C@@H](C)C2)CC1 ZINC000531727715 323111571 /nfs/dbraw/zinc/11/15/71/323111571.db2.gz JAYZHESMRIJNPG-CYBMUJFWSA-N 1 3 239.407 1.402 20 0 BDADHO N[C@H]1CCC[C@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000563426667 323126136 /nfs/dbraw/zinc/12/61/36/323126136.db2.gz VRQRYWHAROZKAJ-RYUDHWBXSA-N 1 3 226.364 1.399 20 0 BDADHO CCCN(C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000571093078 323135239 /nfs/dbraw/zinc/13/52/39/323135239.db2.gz CBYWUMJFGLWOIU-UHFFFAOYSA-N 1 3 249.358 1.103 20 0 BDADHO CC[NH2+]CC1CCN(Cc2[nH]ncc2C)CC1 ZINC000414654601 323150969 /nfs/dbraw/zinc/15/09/69/323150969.db2.gz CHARVEYJSTUGDZ-UHFFFAOYSA-N 1 3 236.363 1.540 20 0 BDADHO C[C@@H](NCC12CC(C1)CO2)[C@H]1CCC[NH2+]C1 ZINC000530218335 323217663 /nfs/dbraw/zinc/21/76/63/323217663.db2.gz FMSDWQNSUOJTBO-IGJPJIBNSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CCCNC1 ZINC000530218335 323217665 /nfs/dbraw/zinc/21/76/65/323217665.db2.gz FMSDWQNSUOJTBO-IGJPJIBNSA-N 1 3 224.348 1.143 20 0 BDADHO COc1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000530219359 323218036 /nfs/dbraw/zinc/21/80/36/323218036.db2.gz JCFYTUCHFYXBLS-QWHCGFSZSA-N 1 3 249.358 1.492 20 0 BDADHO COc1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cn1 ZINC000530219359 323218038 /nfs/dbraw/zinc/21/80/38/323218038.db2.gz JCFYTUCHFYXBLS-QWHCGFSZSA-N 1 3 249.358 1.492 20 0 BDADHO COC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000122603175 324050771 /nfs/dbraw/zinc/05/07/71/324050771.db2.gz HXDIZHICRZPJHC-SRVKXCTJSA-N 1 3 214.353 1.484 20 0 BDADHO COC[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000122603175 324050775 /nfs/dbraw/zinc/05/07/75/324050775.db2.gz HXDIZHICRZPJHC-SRVKXCTJSA-N 1 3 214.353 1.484 20 0 BDADHO CC[C@@H](N)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000572517198 324174187 /nfs/dbraw/zinc/17/41/87/324174187.db2.gz FQMTYTKTCGXEMK-SDDRHHMPSA-N 1 3 241.379 1.103 20 0 BDADHO COC[C@H](NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000398069391 324216581 /nfs/dbraw/zinc/21/65/81/324216581.db2.gz YOEUQUAXIUVJBI-NEPJUHHUSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000530214164 324530460 /nfs/dbraw/zinc/53/04/60/324530460.db2.gz BRFLHMQVDRHVAF-AAEUAGOBSA-N 1 3 208.349 1.930 20 0 BDADHO NC[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530222584 324541316 /nfs/dbraw/zinc/54/13/16/324541316.db2.gz RQPFRAJBCMKQCO-QZQSVVMZSA-N 1 3 224.348 1.273 20 0 BDADHO C[C@H](CCC[NH3+])N[C@@H]1Cc2ccccc2NC1=O ZINC000530224862 324544782 /nfs/dbraw/zinc/54/47/82/324544782.db2.gz MWNTVBCSLSBIEW-ZWNOBZJWSA-N 1 3 247.342 1.267 20 0 BDADHO C[C@@H](CN(C)C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000132221754 325205086 /nfs/dbraw/zinc/20/50/86/325205086.db2.gz CAGDPJHWDCHYHU-BPNCWPANSA-N 1 3 233.359 1.671 20 0 BDADHO CC[C@@H](CO)N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253207724 325714650 /nfs/dbraw/zinc/71/46/50/325714650.db2.gz HNZZFHSYVRSVSB-WUHRBBMRSA-N 1 3 226.364 1.268 20 0 BDADHO Cc1cccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000566483336 326056350 /nfs/dbraw/zinc/05/63/50/326056350.db2.gz VBLHJMCRDWNMOJ-GXTWGEPZSA-N 1 3 233.359 1.792 20 0 BDADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CC2(F)CC2)CC1 ZINC000567870763 326273789 /nfs/dbraw/zinc/27/37/89/326273789.db2.gz LXMLSLORYRIKLA-NEPJUHHUSA-N 1 3 242.338 1.317 20 0 BDADHO CC[NH2+]CCCN[C@H]1CN(C2CC2)C[C@H]1C ZINC000569106207 326390388 /nfs/dbraw/zinc/39/03/88/326390388.db2.gz UBGHLSGHZNTPOS-YPMHNXCESA-N 1 3 225.380 1.058 20 0 BDADHO Cc1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)cn1 ZINC000569228141 326396116 /nfs/dbraw/zinc/39/61/16/326396116.db2.gz IGGLIGICCVQAIJ-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO Cc1ccc(CC[NH2+][C@H]2CCNCC[C@H]2C)cn1 ZINC000569228141 326396118 /nfs/dbraw/zinc/39/61/18/326396118.db2.gz IGGLIGICCVQAIJ-DOMZBBRYSA-N 1 3 247.386 1.910 20 0 BDADHO CCOCc1ccccc1CNCCC[NH3+] ZINC000135293328 488024259 /nfs/dbraw/zinc/02/42/59/488024259.db2.gz CYARFJIWYRAZSG-UHFFFAOYSA-N 1 3 222.332 1.662 20 0 BDADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000227555450 488028491 /nfs/dbraw/zinc/02/84/91/488028491.db2.gz YXXWHIGHEYKVOE-XQHKEYJVSA-N 1 3 226.364 1.255 20 0 BDADHO CCC[C@@](C)(N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000669508313 488109244 /nfs/dbraw/zinc/10/92/44/488109244.db2.gz DRDLIKLWTMHSTG-CYBMUJFWSA-N 1 3 235.331 1.601 20 0 BDADHO C[C@H]1C[C@@H]1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000683110343 488111513 /nfs/dbraw/zinc/11/15/13/488111513.db2.gz MLPJNRMKPAOPIS-QWHCGFSZSA-N 1 3 231.343 1.860 20 0 BDADHO N[C@H](CNC(=O)CC1([NH3+])CCC1)c1ccccc1 ZINC000669510681 488113444 /nfs/dbraw/zinc/11/34/44/488113444.db2.gz PMOVJDXNRFMWOI-GFCCVEGCSA-N 1 3 247.342 1.074 20 0 BDADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403256603 488119268 /nfs/dbraw/zinc/11/92/68/488119268.db2.gz WIVICTCFFSCFKT-RQJABVFESA-N 1 3 222.376 1.964 20 0 BDADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403256603 488119272 /nfs/dbraw/zinc/11/92/72/488119272.db2.gz WIVICTCFFSCFKT-RQJABVFESA-N 1 3 222.376 1.964 20 0 BDADHO C[C@H](O)C1(NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000668699695 488132567 /nfs/dbraw/zinc/13/25/67/488132567.db2.gz QMMHGOJDOWJCOZ-NSHDSACASA-N 1 3 238.375 1.364 20 0 BDADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)N1CCCC1 ZINC000161076370 487476068 /nfs/dbraw/zinc/47/60/68/487476068.db2.gz GMINUGIBYOCZTR-YPMHNXCESA-N 1 3 241.379 1.104 20 0 BDADHO CO[C@H](C[N@@H+]1CCC[C@@H](N)C1)C1CCC1 ZINC000662236532 487470824 /nfs/dbraw/zinc/47/08/24/487470824.db2.gz ZRXIFRAHABKEQC-VXGBXAGGSA-N 1 3 212.337 1.225 20 0 BDADHO CO[C@H](C[N@H+]1CCC[C@@H](N)C1)C1CCC1 ZINC000662236532 487470825 /nfs/dbraw/zinc/47/08/25/487470825.db2.gz ZRXIFRAHABKEQC-VXGBXAGGSA-N 1 3 212.337 1.225 20 0 BDADHO CC[C@@H](C)CN(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000381070526 487494678 /nfs/dbraw/zinc/49/46/78/487494678.db2.gz ODOVMOSXVAJKIG-CHWSQXEVSA-N 1 3 230.396 1.665 20 0 BDADHO CC[C@@H](C)CN(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000381070526 487494685 /nfs/dbraw/zinc/49/46/85/487494685.db2.gz ODOVMOSXVAJKIG-CHWSQXEVSA-N 1 3 230.396 1.665 20 0 BDADHO C[N@H+](CCC(C)(C)C1CC1)C[C@@H](O)CN ZINC000405951006 487496574 /nfs/dbraw/zinc/49/65/74/487496574.db2.gz GCMUXZLXEMWQLD-NSHDSACASA-N 1 3 214.353 1.064 20 0 BDADHO C[N@@H+](CCC(C)(C)C1CC1)C[C@@H](O)CN ZINC000405951006 487496582 /nfs/dbraw/zinc/49/65/82/487496582.db2.gz GCMUXZLXEMWQLD-NSHDSACASA-N 1 3 214.353 1.064 20 0 BDADHO CN(CCC(C)(C)C1CC1)C[C@@H](O)C[NH3+] ZINC000405951006 487496589 /nfs/dbraw/zinc/49/65/89/487496589.db2.gz GCMUXZLXEMWQLD-NSHDSACASA-N 1 3 214.353 1.064 20 0 BDADHO NCc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000169816013 487507923 /nfs/dbraw/zinc/50/79/23/487507923.db2.gz VKTZGTKLUHEPGE-LLVKDONJSA-N 1 3 233.315 1.083 20 0 BDADHO CN(C)C[C@H]1CCCCN1C(=O)CC(C)(C)[NH3+] ZINC000404903096 487518037 /nfs/dbraw/zinc/51/80/37/487518037.db2.gz XPUKFLICVUVQJH-LLVKDONJSA-N 1 3 241.379 1.057 20 0 BDADHO C[C@@H](O)CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128661 487524832 /nfs/dbraw/zinc/52/48/32/487524832.db2.gz SXTZWCJYUFAAKD-FRRDWIJNSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H](O)CNCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000666128661 487524835 /nfs/dbraw/zinc/52/48/35/487524835.db2.gz SXTZWCJYUFAAKD-FRRDWIJNSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H](O)C[NH2+]CCCN1C[C@H](C)C[C@H](C)C1 ZINC000666128661 487524838 /nfs/dbraw/zinc/52/48/38/487524838.db2.gz SXTZWCJYUFAAKD-FRRDWIJNSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H](O)CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000666128663 487525025 /nfs/dbraw/zinc/52/50/25/487525025.db2.gz SXTZWCJYUFAAKD-RWMBFGLXSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@@H](O)C[NH2+]CCCN1C[C@@H](C)C[C@H](C)C1 ZINC000666128663 487525027 /nfs/dbraw/zinc/52/50/27/487525027.db2.gz SXTZWCJYUFAAKD-RWMBFGLXSA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](O)CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000666128664 487525145 /nfs/dbraw/zinc/52/51/45/487525145.db2.gz SXTZWCJYUFAAKD-UPJWGTAASA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H](O)C[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000666128664 487525149 /nfs/dbraw/zinc/52/51/49/487525149.db2.gz SXTZWCJYUFAAKD-UPJWGTAASA-N 1 3 228.380 1.325 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2ccnn2C)C1 ZINC000230745405 488150626 /nfs/dbraw/zinc/15/06/26/488150626.db2.gz YUFSOXGFYOSGNG-RYUDHWBXSA-N 1 3 236.363 1.022 20 0 BDADHO Cc1nccn1CCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678073009 488190771 /nfs/dbraw/zinc/19/07/71/488190771.db2.gz HSNQEFWAMVTGLZ-ZIAGYGMSSA-N 1 3 248.374 1.123 20 0 BDADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](CCO)C1 ZINC000678075738 488191284 /nfs/dbraw/zinc/19/12/84/488191284.db2.gz NYRUHSRJLSKCRM-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H](CCO)C1 ZINC000678075738 488191287 /nfs/dbraw/zinc/19/12/87/488191287.db2.gz NYRUHSRJLSKCRM-ZIAGYGMSSA-N 1 3 240.391 1.565 20 0 BDADHO Cn1ccc(CNCC2CC[NH+](C3CC3)CC2)n1 ZINC000683706476 488210984 /nfs/dbraw/zinc/21/09/84/488210984.db2.gz KMUQLXMAVCEXFS-UHFFFAOYSA-N 1 3 248.374 1.384 20 0 BDADHO CC[C@H](CC(F)F)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000659851299 490093321 /nfs/dbraw/zinc/09/33/21/490093321.db2.gz YPHSSMYOJJSZOB-GMTAPVOTSA-N 1 3 232.318 1.819 20 0 BDADHO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)c(C)c1 ZINC000517731010 490144559 /nfs/dbraw/zinc/14/45/59/490144559.db2.gz ZXDUTONVOWBXME-UONOGXRCSA-N 1 3 234.343 1.973 20 0 BDADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)CCN1C ZINC000129581443 490153558 /nfs/dbraw/zinc/15/35/58/490153558.db2.gz OHFDPZZSPDUQRH-NWDGAFQWSA-N 1 3 227.396 1.399 20 0 BDADHO c1cc(CN2CCCOCC2)c2c(c1)C[NH2+]CC2 ZINC000123966292 490270845 /nfs/dbraw/zinc/27/08/45/490270845.db2.gz WCTYEFCUJQVJOX-UHFFFAOYSA-N 1 3 246.354 1.555 20 0 BDADHO CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000125289413 490427050 /nfs/dbraw/zinc/42/70/50/490427050.db2.gz SHQCXOTXGCTEPI-UHFFFAOYSA-N 1 3 205.305 1.614 20 0 BDADHO Cn1cncc1CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000401633304 490582413 /nfs/dbraw/zinc/58/24/13/490582413.db2.gz BEWQCXFPXYADHA-CHWSQXEVSA-N 1 3 248.374 1.179 20 0 BDADHO Cn1cncc1CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000401633304 490582422 /nfs/dbraw/zinc/58/24/22/490582422.db2.gz BEWQCXFPXYADHA-CHWSQXEVSA-N 1 3 248.374 1.179 20 0 BDADHO CCSCC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000598681766 491084294 /nfs/dbraw/zinc/08/42/94/491084294.db2.gz JKUNRRRFXDDYGQ-MNOVXSKESA-N 1 3 214.378 1.553 20 0 BDADHO CCSCC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000598681766 491084295 /nfs/dbraw/zinc/08/42/95/491084295.db2.gz JKUNRRRFXDDYGQ-MNOVXSKESA-N 1 3 214.378 1.553 20 0 BDADHO CCN1CCC[C@H](C[NH2+]CC(C)(C)COC)C1 ZINC000494158924 529085433 /nfs/dbraw/zinc/08/54/33/529085433.db2.gz ARWFFTIULBWORB-CYBMUJFWSA-N 1 3 242.407 1.981 20 0 BDADHO CC(C)COCCN[C@H]1CC[NH2+]CC1(C)C ZINC000261591124 535177153 /nfs/dbraw/zinc/17/71/53/535177153.db2.gz VBQZYCBCAHQAHS-LBPRGKRZSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)COCC[NH2+][C@H]1CCNCC1(C)C ZINC000261591124 535177155 /nfs/dbraw/zinc/17/71/55/535177155.db2.gz VBQZYCBCAHQAHS-LBPRGKRZSA-N 1 3 228.380 1.637 20 0 BDADHO CC(C)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CCN1C ZINC000261716673 535238150 /nfs/dbraw/zinc/23/81/50/535238150.db2.gz FFDPNGIOEKEVCC-ZIAGYGMSSA-N 1 3 239.407 1.258 20 0 BDADHO CCSCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261527425 535685088 /nfs/dbraw/zinc/68/50/88/535685088.db2.gz BALVWQWTFLTEGA-HBNTYKKESA-N 1 3 214.378 1.409 20 0 BDADHO CC[C@@H]1CO[C@H](C)CN1CC[C@@H]1CC[NH2+]C1 ZINC000084385119 535850945 /nfs/dbraw/zinc/85/09/45/535850945.db2.gz LKIVFLXEFCMGGZ-FRRDWIJNSA-N 1 3 226.364 1.485 20 0 BDADHO CC[C@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000183871884 535977166 /nfs/dbraw/zinc/97/71/66/535977166.db2.gz CTQWRCHOOQOOKN-WVMKXHBISA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000183871884 535977172 /nfs/dbraw/zinc/97/71/72/535977172.db2.gz CTQWRCHOOQOOKN-WVMKXHBISA-N 1 3 226.364 1.362 20 0 BDADHO CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000253011994 535978505 /nfs/dbraw/zinc/97/85/05/535978505.db2.gz CWXDTIMBXKHQQS-SDDRHHMPSA-N 1 3 214.353 1.255 20 0 BDADHO CN(CCC[NH3+])[C@@H]1CCc2ccccc21 ZINC000227743084 536342913 /nfs/dbraw/zinc/34/29/13/536342913.db2.gz FMCFCZVZORQVAU-CYBMUJFWSA-N 1 3 204.317 1.955 20 0 BDADHO CN1CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000084215958 536344721 /nfs/dbraw/zinc/34/47/21/536344721.db2.gz IAONFDYUWWRLCP-DGCLKSJQSA-N 1 3 225.380 1.188 20 0 BDADHO C[N@@H+]1CCCC[C@H]1CCN1CC[C@@H](CO)C1 ZINC000225974708 536357234 /nfs/dbraw/zinc/35/72/34/536357234.db2.gz AFBUHSODFOFKFZ-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@H+]1CCCC[C@H]1CCN1CC[C@@H](CO)C1 ZINC000225974708 536357237 /nfs/dbraw/zinc/35/72/37/536357237.db2.gz AFBUHSODFOFKFZ-OLZOCXBDSA-N 1 3 226.364 1.175 20 0 BDADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](O)CC1 ZINC000335888803 536389692 /nfs/dbraw/zinc/38/96/92/536389692.db2.gz XVRYKUDFYAFNHO-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H](O)CC1 ZINC000335888803 536389693 /nfs/dbraw/zinc/38/96/93/536389693.db2.gz XVRYKUDFYAFNHO-STQMWFEESA-N 1 3 226.364 1.318 20 0 BDADHO CO[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1C ZINC000261534199 536729930 /nfs/dbraw/zinc/72/99/30/536729930.db2.gz ORDVUJSXEXLFQQ-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@H+](C[C@H]2CCCNC2)CC[C@H]1C ZINC000261534199 536729935 /nfs/dbraw/zinc/72/99/35/536729935.db2.gz ORDVUJSXEXLFQQ-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@@H]1C[N@@H+](C[C@H]2CCCNC2)CC[C@H]1C ZINC000261534199 536729940 /nfs/dbraw/zinc/72/99/40/536729940.db2.gz ORDVUJSXEXLFQQ-FRRDWIJNSA-N 1 3 226.364 1.343 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248841429 536877671 /nfs/dbraw/zinc/87/76/71/536877671.db2.gz NZQAICPEASKCPZ-RNJOBUHISA-N 1 3 226.364 1.626 20 0 BDADHO CO[C@H](C)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000248841429 536877676 /nfs/dbraw/zinc/87/76/76/536877676.db2.gz NZQAICPEASKCPZ-RNJOBUHISA-N 1 3 226.364 1.626 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCC1SCCS1 ZINC000854230292 588781038 /nfs/dbraw/zinc/78/10/38/588781038.db2.gz LYNIGMLFQCDGSQ-IUCAKERBSA-N 1 3 234.434 1.898 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)NCCC1SCCS1 ZINC000854230292 588781039 /nfs/dbraw/zinc/78/10/39/588781039.db2.gz LYNIGMLFQCDGSQ-IUCAKERBSA-N 1 3 234.434 1.898 20 0 BDADHO CCC[NH+]1CCC(Nc2ccncc2CO)CC1 ZINC000891582609 582698940 /nfs/dbraw/zinc/69/89/40/582698940.db2.gz UFFOMMIIWISFLL-UHFFFAOYSA-N 1 3 249.358 1.282 20 0 BDADHO C[C@H]1COCC[N@H+](CC2CCN(C)CC2)C1 ZINC000892077249 582785755 /nfs/dbraw/zinc/78/57/55/582785755.db2.gz PLBOJVGDIQUSMU-GFCCVEGCSA-N 1 3 226.364 1.297 20 0 BDADHO C[C@H]1COCC[N@@H+](CC2CCN(C)CC2)C1 ZINC000892077249 582785758 /nfs/dbraw/zinc/78/57/58/582785758.db2.gz PLBOJVGDIQUSMU-GFCCVEGCSA-N 1 3 226.364 1.297 20 0 BDADHO Cc1ccc(CCN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000892251870 582813367 /nfs/dbraw/zinc/81/33/67/582813367.db2.gz KYOQPZTVJMRHNM-HZPDHXFCSA-N 1 3 244.382 1.997 20 0 BDADHO CN(Cc1ccn(C)n1)C1CCC([NH3+])CC1 ZINC000123782401 582851509 /nfs/dbraw/zinc/85/15/09/582851509.db2.gz KLCZLFKQLULGSC-UHFFFAOYSA-N 1 3 222.336 1.122 20 0 BDADHO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000851985997 582989975 /nfs/dbraw/zinc/98/99/75/582989975.db2.gz YHEGXZMGQVULRG-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](N(C)C)CC2)C1 ZINC000851985997 582989978 /nfs/dbraw/zinc/98/99/78/582989978.db2.gz YHEGXZMGQVULRG-HZSPNIEDSA-N 1 3 240.391 1.970 20 0 BDADHO C[C@@H]1C[C@H](Nc2ccncc2CO)C[N@@H+]1C1CC1 ZINC000892875630 583001814 /nfs/dbraw/zinc/00/18/14/583001814.db2.gz HEOIOACYRPJDHV-PWSUYJOCSA-N 1 3 247.342 1.033 20 0 BDADHO C[C@@H]1C[C@H](Nc2ccncc2CO)C[N@H+]1C1CC1 ZINC000892875630 583001816 /nfs/dbraw/zinc/00/18/16/583001816.db2.gz HEOIOACYRPJDHV-PWSUYJOCSA-N 1 3 247.342 1.033 20 0 BDADHO CC[C@@]1(C)COCCN1CC1CC[NH+](C)CC1 ZINC000893668084 583192281 /nfs/dbraw/zinc/19/22/81/583192281.db2.gz CQLGPJIOCWSTQZ-AWEZNQCLSA-N 1 3 240.391 1.829 20 0 BDADHO CN1CCC(C[N@@H+]2CCC23CCOCC3)CC1 ZINC000894047897 583287967 /nfs/dbraw/zinc/28/79/67/583287967.db2.gz FBYJVRGLZUPXEN-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CN1CCC(C[N@H+]2CCC23CCOCC3)CC1 ZINC000894047897 583287969 /nfs/dbraw/zinc/28/79/69/583287969.db2.gz FBYJVRGLZUPXEN-UHFFFAOYSA-N 1 3 238.375 1.583 20 0 BDADHO CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000894454884 583464407 /nfs/dbraw/zinc/46/44/07/583464407.db2.gz BJCARHCSKMQFHI-YPMHNXCESA-N 1 3 242.363 1.258 20 0 BDADHO C[NH+]1CCC(CN[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857852952 588913617 /nfs/dbraw/zinc/91/36/17/588913617.db2.gz HLJUYWIVZRTOMJ-CYBMUJFWSA-N 1 3 248.374 1.719 20 0 BDADHO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000335064899 583605343 /nfs/dbraw/zinc/60/53/43/583605343.db2.gz XLWNWGJQAXRZPG-HZMBPMFUSA-N 1 3 232.327 1.557 20 0 BDADHO Cc1ncoc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895187113 583619546 /nfs/dbraw/zinc/61/95/46/583619546.db2.gz KFYPOMMPHRSFMP-PHIMTYICSA-N 1 3 223.320 1.413 20 0 BDADHO CC[C@H](C)[C@@H](CNCC[C@H](C)[NH+](C)C)OC ZINC000895291670 583636915 /nfs/dbraw/zinc/63/69/15/583636915.db2.gz AHMXWBDAWYOUPD-RWMBFGLXSA-N 1 3 230.396 1.977 20 0 BDADHO COC[C@H](CC(C)C)NCC[C@@H](C)[NH+](C)C ZINC000895293667 583639636 /nfs/dbraw/zinc/63/96/36/583639636.db2.gz JASZAZXBUUXZLI-OLZOCXBDSA-N 1 3 230.396 1.977 20 0 BDADHO CC1=NO[C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000895302967 583644944 /nfs/dbraw/zinc/64/49/44/583644944.db2.gz XZGMUNKUIHBKGN-NEPJUHHUSA-N 1 3 239.363 1.614 20 0 BDADHO C[C@H]1[C@@H](Nc2cc[nH+]cc2C2CC2)CCN1C ZINC000895733910 583717001 /nfs/dbraw/zinc/71/70/01/583717001.db2.gz HOKXQDPLLKCNHG-GWCFXTLKSA-N 1 3 231.343 1.885 20 0 BDADHO CCO[C@H](CN[C@@H]1CC[C@H]1SC)C[NH+](C)C ZINC000896880099 583844833 /nfs/dbraw/zinc/84/48/33/583844833.db2.gz NJMCCMNNCMNRJL-IJLUTSLNSA-N 1 3 246.420 1.437 20 0 BDADHO CCO[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000897061317 583875356 /nfs/dbraw/zinc/87/53/56/583875356.db2.gz IBUFRBOIBFDRIQ-ZDUSSCGKSA-N 1 3 226.364 1.439 20 0 BDADHO CCO[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000897061317 583875357 /nfs/dbraw/zinc/87/53/57/583875357.db2.gz IBUFRBOIBFDRIQ-ZDUSSCGKSA-N 1 3 226.364 1.439 20 0 BDADHO CC(C)[NH+]1CCC(Nc2ccnc(CO)c2)CC1 ZINC000858323048 588945331 /nfs/dbraw/zinc/94/53/31/588945331.db2.gz AKKPKAYMWCHERE-UHFFFAOYSA-N 1 3 249.358 1.859 20 0 BDADHO OCc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000858355831 588948207 /nfs/dbraw/zinc/94/82/07/588948207.db2.gz WNGXHJPZPGOEGY-JSGCOSHPSA-N 1 3 247.342 1.613 20 0 BDADHO OCc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000858355831 588948208 /nfs/dbraw/zinc/94/82/08/588948208.db2.gz WNGXHJPZPGOEGY-JSGCOSHPSA-N 1 3 247.342 1.613 20 0 BDADHO OCc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000858355830 588948211 /nfs/dbraw/zinc/94/82/11/588948211.db2.gz WNGXHJPZPGOEGY-GXTWGEPZSA-N 1 3 247.342 1.613 20 0 BDADHO OCc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000858355830 588948212 /nfs/dbraw/zinc/94/82/12/588948212.db2.gz WNGXHJPZPGOEGY-GXTWGEPZSA-N 1 3 247.342 1.613 20 0 BDADHO CC(C)[N@@H+]1CC[C@@H](CNc2ccnc(CO)c2)C1 ZINC000858367387 588948894 /nfs/dbraw/zinc/94/88/94/588948894.db2.gz NTOVRMRFYZEOES-LBPRGKRZSA-N 1 3 249.358 1.716 20 0 BDADHO CC(C)[N@H+]1CC[C@@H](CNc2ccnc(CO)c2)C1 ZINC000858367387 588948895 /nfs/dbraw/zinc/94/88/95/588948895.db2.gz NTOVRMRFYZEOES-LBPRGKRZSA-N 1 3 249.358 1.716 20 0 BDADHO COCCC1(CN[C@@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000841064215 584126963 /nfs/dbraw/zinc/12/69/63/584126963.db2.gz VSXPVSBJFWLATM-QWHCGFSZSA-N 1 3 240.391 1.923 20 0 BDADHO COCCC1(CN[C@H]2CCC[NH2+][C@H]2C)CCC1 ZINC000841064216 584127088 /nfs/dbraw/zinc/12/70/88/584127088.db2.gz VSXPVSBJFWLATM-STQMWFEESA-N 1 3 240.391 1.923 20 0 BDADHO CC(C)(O)CN1CCC([NH2+]C/C=C\Cl)CC1 ZINC000898427748 584132729 /nfs/dbraw/zinc/13/27/29/584132729.db2.gz FHPWRKZAPNQJED-UTCJRWHESA-N 1 3 246.782 1.564 20 0 BDADHO C[C@@H](NC(=[NH2+])NCCNC(C)(C)C)C1CC1 ZINC000899266484 584190050 /nfs/dbraw/zinc/19/00/50/584190050.db2.gz CYQDQBZNEBFTAK-SECBINFHSA-N 1 3 226.368 1.287 20 0 BDADHO N[C@H](CO)c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000899327469 584197625 /nfs/dbraw/zinc/19/76/25/584197625.db2.gz AZPRWFMRIQVYOU-QLFBSQMISA-N 1 3 244.338 1.586 20 0 BDADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CCCCO2)C1 ZINC000902320735 584552431 /nfs/dbraw/zinc/55/24/31/584552431.db2.gz RYCKFRGJPKBROF-CHWSQXEVSA-N 1 3 240.391 1.923 20 0 BDADHO C[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)N(C)C ZINC000902316176 584555592 /nfs/dbraw/zinc/55/55/92/584555592.db2.gz FGLZAIZUCLTQHC-RYUDHWBXSA-N 1 3 227.396 1.304 20 0 BDADHO CC[C@@H](O)CCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902347091 584559109 /nfs/dbraw/zinc/55/91/09/584559109.db2.gz KTOKROPDBRWIME-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@@H](O)CCCN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902347091 584559110 /nfs/dbraw/zinc/55/91/10/584559110.db2.gz KTOKROPDBRWIME-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CC[C@H](O)CCN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348403 584559292 /nfs/dbraw/zinc/55/92/92/584559292.db2.gz LMJSEHJRAKZXNR-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CC[C@H](O)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902348403 584559294 /nfs/dbraw/zinc/55/92/94/584559294.db2.gz LMJSEHJRAKZXNR-RYUDHWBXSA-N 1 3 228.380 1.515 20 0 BDADHO CO[C@@H](C)CC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902349275 584559871 /nfs/dbraw/zinc/55/98/71/584559871.db2.gz YNLPJJJEKHHCQP-RYUDHWBXSA-N 1 3 228.380 1.779 20 0 BDADHO C[C@H](CO)CCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902372667 584566728 /nfs/dbraw/zinc/56/67/28/584566728.db2.gz UHMPENNAXMWOIJ-QWHCGFSZSA-N 1 3 242.407 1.763 20 0 BDADHO C[C@@H](Cc1ccccc1F)NCC1([NH3+])CC1 ZINC000902406059 584573887 /nfs/dbraw/zinc/57/38/87/584573887.db2.gz KKNAQPQLGQXHFM-JTQLQIEISA-N 1 3 222.307 1.838 20 0 BDADHO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902388256 584579744 /nfs/dbraw/zinc/57/97/44/584579744.db2.gz NASWRSQGCQUSOS-VXGBXAGGSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@H](CC(C)(C)O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902388256 584579745 /nfs/dbraw/zinc/57/97/45/584579745.db2.gz NASWRSQGCQUSOS-VXGBXAGGSA-N 1 3 242.407 1.904 20 0 BDADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)CO1 ZINC000902394517 584584577 /nfs/dbraw/zinc/58/45/77/584584577.db2.gz YLQTXNWOTHZCGS-IJLUTSLNSA-N 1 3 226.364 1.532 20 0 BDADHO NOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000902415714 584589568 /nfs/dbraw/zinc/58/95/68/584589568.db2.gz POVDKSJEYARRCI-RWMBFGLXSA-N 1 3 241.379 1.167 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902431466 584595561 /nfs/dbraw/zinc/59/55/61/584595561.db2.gz FIFHJUGPJKFJGM-CJYSPXJISA-N 1 3 245.370 1.341 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1Cc2ccccc2[C@H]1N ZINC000902436473 584596394 /nfs/dbraw/zinc/59/63/94/584596394.db2.gz YOTYBVWAEAJYLJ-DUBDDPSESA-N 1 3 233.359 1.327 20 0 BDADHO COC[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902437435 584596499 /nfs/dbraw/zinc/59/64/99/584596499.db2.gz IAOCBKISUIURDD-QLFBSQMISA-N 1 3 246.354 1.626 20 0 BDADHO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)[C@H]1CCC[NH2+]1 ZINC000902435826 584596546 /nfs/dbraw/zinc/59/65/46/584596546.db2.gz VMBMRMRTWHLNKS-JUDXGUMMSA-N 1 3 245.370 1.341 20 0 BDADHO C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CCO1 ZINC000902475968 584602758 /nfs/dbraw/zinc/60/27/58/584602758.db2.gz KQBDHXUECULBAZ-KZZRWZIVSA-N 1 3 210.321 1.036 20 0 BDADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1cncs1 ZINC000902454476 584608927 /nfs/dbraw/zinc/60/89/27/584608927.db2.gz HWIOAYFIDOOZPK-UWVGGRQHSA-N 1 3 243.376 1.548 20 0 BDADHO C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)C1CNC1 ZINC000902455847 584609461 /nfs/dbraw/zinc/60/94/61/584609461.db2.gz ZLPZRLIIEGCDER-MWLCHTKSSA-N 1 3 228.405 1.858 20 0 BDADHO COC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CCCC1 ZINC000902467780 584615064 /nfs/dbraw/zinc/61/50/64/584615064.db2.gz KYLLOXHYJFFDQL-DGAVXFQQSA-N 1 3 238.375 1.674 20 0 BDADHO C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902468785 584615734 /nfs/dbraw/zinc/61/57/34/584615734.db2.gz VNFWWUHNTLXKQT-NJMOYASZSA-N 1 3 206.333 1.658 20 0 BDADHO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902470646 584616664 /nfs/dbraw/zinc/61/66/64/584616664.db2.gz ZHLKRBOALATZSU-JZRPKSSGSA-N 1 3 208.349 1.904 20 0 BDADHO C[C@H](CCCC[NH3+])NCc1csc(N)n1 ZINC000902499274 584620085 /nfs/dbraw/zinc/62/00/85/584620085.db2.gz IWFIEVBMTGHNMN-MRVPVSSYSA-N 1 3 228.365 1.332 20 0 BDADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503718 584620752 /nfs/dbraw/zinc/62/07/52/584620752.db2.gz JSLPVVPNBRRFSH-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC[C@@H](O)C1CC1 ZINC000902503718 584620754 /nfs/dbraw/zinc/62/07/54/584620754.db2.gz JSLPVVPNBRRFSH-RAIGVLPGSA-N 1 3 226.364 1.125 20 0 BDADHO [NH3+][C@@H]1C[C@@H](NCC[C@@H](O)C2CC2)C12CCC2 ZINC000902504609 584621355 /nfs/dbraw/zinc/62/13/55/584621355.db2.gz OYNFGDSDQDMKJR-IJLUTSLNSA-N 1 3 224.348 1.007 20 0 BDADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1nccs1 ZINC000902487200 584626107 /nfs/dbraw/zinc/62/61/07/584626107.db2.gz KKFJKHRQGXFHJY-CIUDSAMLSA-N 1 3 211.334 1.531 20 0 BDADHO Cc1nn(C)cc1[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902489320 584627616 /nfs/dbraw/zinc/62/76/16/584627616.db2.gz OXKPVOYHTHMEDR-FBIMIBRVSA-N 1 3 222.336 1.116 20 0 BDADHO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902518471 584631041 /nfs/dbraw/zinc/63/10/41/584631041.db2.gz LORNUGCUWMGXBQ-BSLXNSKLSA-N 1 3 246.354 1.375 20 0 BDADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000902520987 584631635 /nfs/dbraw/zinc/63/16/35/584631635.db2.gz QKOCORGQNJNVGS-AAVRWANBSA-N 1 3 232.327 1.114 20 0 BDADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1COC[C@@H]1C1CC1 ZINC000902522035 584631679 /nfs/dbraw/zinc/63/16/79/584631679.db2.gz VKGYCAZZEVZFJD-XPXLGCRWSA-N 1 3 212.337 1.127 20 0 BDADHO Cc1noc([C@@H](C)N2C[C@@H](C)[C@H](CC[NH3+])C2)n1 ZINC000903496558 584780820 /nfs/dbraw/zinc/78/08/20/584780820.db2.gz SHHIZBUFTSURMM-FXPVBKGRSA-N 1 3 238.335 1.356 20 0 BDADHO OCC1(NC[C@@H]2CCCC[NH2+]C2)CCCC1 ZINC000903764519 584797079 /nfs/dbraw/zinc/79/70/79/584797079.db2.gz UBSKMXVZVIBYNE-GFCCVEGCSA-N 1 3 226.364 1.271 20 0 BDADHO C[C@]12COC[C@@H]1CN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903767427 584798243 /nfs/dbraw/zinc/79/82/43/584798243.db2.gz XIQVRSRCDKXPQQ-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@@H]1C[N@H+](C[C@@H]1CCCCNC1)C2 ZINC000903767427 584798245 /nfs/dbraw/zinc/79/82/45/584798245.db2.gz XIQVRSRCDKXPQQ-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1CCCCNC1)C2 ZINC000903767427 584798246 /nfs/dbraw/zinc/79/82/46/584798246.db2.gz XIQVRSRCDKXPQQ-RDBSUJKOSA-N 1 3 238.375 1.344 20 0 BDADHO NC[C@@]12CC[C@H]1CCC[N@@H+]2CCc1cccnc1 ZINC000903798461 584801674 /nfs/dbraw/zinc/80/16/74/584801674.db2.gz NNRIXSRDVNFDSY-CABCVRRESA-N 1 3 245.370 1.827 20 0 BDADHO NC[C@@]12CC[C@H]1CCC[N@H+]2CCc1cccnc1 ZINC000903798461 584801676 /nfs/dbraw/zinc/80/16/76/584801676.db2.gz NNRIXSRDVNFDSY-CABCVRRESA-N 1 3 245.370 1.827 20 0 BDADHO [NH3+]C[C@@]12CC[C@H]1CCN2CCCCCCO ZINC000903857448 584810201 /nfs/dbraw/zinc/81/02/01/584810201.db2.gz VHJLBKXALSRGQB-STQMWFEESA-N 1 3 226.364 1.352 20 0 BDADHO C=C/C=C\CCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903857862 584810217 /nfs/dbraw/zinc/81/02/17/584810217.db2.gz GCUIXSRGRFDSNN-RSNNXLNZSA-N 1 3 206.333 1.932 20 0 BDADHO C[C@]12CSC[C@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000903869985 584814814 /nfs/dbraw/zinc/81/48/14/584814814.db2.gz BAARVZCONUCELA-TUAOUCFPSA-N 1 3 226.389 1.281 20 0 BDADHO C[C@H](CNC[C@@H]([NH3+])CC(F)F)c1ccccn1 ZINC000903932377 584824996 /nfs/dbraw/zinc/82/49/96/584824996.db2.gz CECQDDOUUMHTDR-ZJUUUORDSA-N 1 3 243.301 1.757 20 0 BDADHO CC[C@@H](COC)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956968 584827503 /nfs/dbraw/zinc/82/75/03/584827503.db2.gz ODGHAWZTDVTJBC-UWVGGRQHSA-N 1 3 236.306 1.246 20 0 BDADHO C[C@H](C[C@H]1CCC[NH2+]1)NCc1cc(N)ccn1 ZINC000903953869 584831224 /nfs/dbraw/zinc/83/12/24/584831224.db2.gz MIJWJBGOBPMNRI-ZYHUDNBSSA-N 1 3 234.347 1.284 20 0 BDADHO CC[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N)C2)CCO1 ZINC000903984671 584835312 /nfs/dbraw/zinc/83/53/12/584835312.db2.gz QSUKYNCTVXFONZ-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO CC[C@H]1C[C@@H](C[N@H+]2CCC[C@H](N)C2)CCO1 ZINC000903984671 584835314 /nfs/dbraw/zinc/83/53/14/584835314.db2.gz QSUKYNCTVXFONZ-AVGNSLFASA-N 1 3 226.364 1.615 20 0 BDADHO CC[N@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000904310015 584863075 /nfs/dbraw/zinc/86/30/75/584863075.db2.gz UVZBZHNELGPPLF-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO CC[N@@H+](C[C@@H]1CCOC1)C[C@@]1(C)CCCNC1 ZINC000904310015 584863076 /nfs/dbraw/zinc/86/30/76/584863076.db2.gz UVZBZHNELGPPLF-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO C[C@@]1(CN2CCC[C@@H](CCO)C2)CCC[NH2+]C1 ZINC000904318524 584863883 /nfs/dbraw/zinc/86/38/83/584863883.db2.gz RNQDCBZHEBPHHV-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@]1(C[N@@H+]2CCC[C@@H](CCO)C2)CCCNC1 ZINC000904318524 584863884 /nfs/dbraw/zinc/86/38/84/584863884.db2.gz RNQDCBZHEBPHHV-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO C[C@@]1(C[N@H+]2CCC[C@@H](CCO)C2)CCCNC1 ZINC000904318524 584863885 /nfs/dbraw/zinc/86/38/85/584863885.db2.gz RNQDCBZHEBPHHV-UONOGXRCSA-N 1 3 240.391 1.471 20 0 BDADHO CC1(CO)CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904331521 584865808 /nfs/dbraw/zinc/86/58/08/584865808.db2.gz JBRFSIVGFNEBNU-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO CC1(CO)CC[NH+](C[C@@]2(C)CCCNC2)CC1 ZINC000904331521 584865810 /nfs/dbraw/zinc/86/58/10/584865810.db2.gz JBRFSIVGFNEBNU-AWEZNQCLSA-N 1 3 240.391 1.471 20 0 BDADHO CN(C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CCC[NH2+]C1 ZINC000904329508 584866189 /nfs/dbraw/zinc/86/61/89/584866189.db2.gz ZVRCOBFAWGCDIL-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@H+](C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CCCNC1 ZINC000904329508 584866190 /nfs/dbraw/zinc/86/61/90/584866190.db2.gz ZVRCOBFAWGCDIL-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO C[N@@H+](C[C@@H]1CCC[C@@H]1O)C[C@]1(C)CCCNC1 ZINC000904329508 584866191 /nfs/dbraw/zinc/86/61/91/584866191.db2.gz ZVRCOBFAWGCDIL-MELADBBJSA-N 1 3 240.391 1.469 20 0 BDADHO [NH3+]CC1CC(N[C@H](CO)c2ccccc2)C1 ZINC000904362599 584872348 /nfs/dbraw/zinc/87/23/48/584872348.db2.gz OYPXOFFOCYNHLV-KGPNIALWSA-N 1 3 220.316 1.047 20 0 BDADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@H](C3CCC3)C2)C1 ZINC000904371158 584873100 /nfs/dbraw/zinc/87/31/00/584873100.db2.gz KKKWTMHLEWCLKS-UHTWSYAYSA-N 1 3 224.348 1.225 20 0 BDADHO [NH3+]C[C@H]1CC2(CO1)CCN(CC1(F)CC1)CC2 ZINC000904393417 584875646 /nfs/dbraw/zinc/87/56/46/584875646.db2.gz SZBHUKLCOFEXLM-LLVKDONJSA-N 1 3 242.338 1.318 20 0 BDADHO CCc1ncc(CN2CC[C@@H](CC[NH3+])C2)s1 ZINC000904405679 584878378 /nfs/dbraw/zinc/87/83/78/584878378.db2.gz MJQOHSIZRNQYKN-SNVBAGLBSA-N 1 3 239.388 1.876 20 0 BDADHO CC[C@H]1C[C@@H](CN2C[C@@H](C)[C@H]([NH3+])C2)CCO1 ZINC000904415552 584880338 /nfs/dbraw/zinc/88/03/38/584880338.db2.gz RESPPVNJCSEIKK-MROQNXINSA-N 1 3 226.364 1.471 20 0 BDADHO CCN(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016148 /nfs/dbraw/zinc/01/61/48/585016148.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CCN(C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016149 /nfs/dbraw/zinc/01/61/49/585016149.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@H+](C)C[C@@H]1CCN([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016150 /nfs/dbraw/zinc/01/61/50/585016150.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO CC[N@@H+](C)C[C@@H]1CCN([C@H]2CC[C@@H](OC)C2)C1 ZINC000821386129 585016151 /nfs/dbraw/zinc/01/61/51/585016151.db2.gz IWWLWPDNHFTZCL-MELADBBJSA-N 1 3 240.391 1.828 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886841716 585184424 /nfs/dbraw/zinc/18/44/24/585184424.db2.gz TVQMDUWZBKQYKD-LPWJVIDDSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H](N)CC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886841716 585184425 /nfs/dbraw/zinc/18/44/25/585184425.db2.gz TVQMDUWZBKQYKD-LPWJVIDDSA-N 1 3 224.348 1.225 20 0 BDADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1C[C@]12CCOC2 ZINC000886841716 585184426 /nfs/dbraw/zinc/18/44/26/585184426.db2.gz TVQMDUWZBKQYKD-LPWJVIDDSA-N 1 3 224.348 1.225 20 0 BDADHO C[NH+](C)CCC1CCN(CCF)CC1 ZINC000759344501 585369687 /nfs/dbraw/zinc/36/96/87/585369687.db2.gz REAZEHIQPXSINM-UHFFFAOYSA-N 1 3 202.317 1.620 20 0 BDADHO C[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)CCN1C ZINC000767586332 585522990 /nfs/dbraw/zinc/52/29/90/585522990.db2.gz GAHHHCYYVCZVJV-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CCN1C ZINC000767586332 585522991 /nfs/dbraw/zinc/52/29/91/585522991.db2.gz GAHHHCYYVCZVJV-STQMWFEESA-N 1 3 225.380 1.107 20 0 BDADHO C[N@H+]1CC=C(CNCc2ccc(F)nc2)CC1 ZINC000778178336 585727116 /nfs/dbraw/zinc/72/71/16/585727116.db2.gz LMHPMKZMASETBA-UHFFFAOYSA-N 1 3 235.306 1.572 20 0 BDADHO C[N@@H+]1CC=C(CNCc2ccc(F)nc2)CC1 ZINC000778178336 585727117 /nfs/dbraw/zinc/72/71/17/585727117.db2.gz LMHPMKZMASETBA-UHFFFAOYSA-N 1 3 235.306 1.572 20 0 BDADHO C[C@@H](CCO)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000779342023 585751701 /nfs/dbraw/zinc/75/17/01/585751701.db2.gz QBSWFSFSVLHYCF-MCIONIFRSA-N 1 3 242.407 1.715 20 0 BDADHO C[C@@H](CCO)[NH2+]CCCN1C[C@H](C)C[C@@H](C)C1 ZINC000779342023 585751702 /nfs/dbraw/zinc/75/17/02/585751702.db2.gz QBSWFSFSVLHYCF-MCIONIFRSA-N 1 3 242.407 1.715 20 0 BDADHO CC[C@H](O)C[N@H+](C)CCCN1CCCC1 ZINC000799324967 586171905 /nfs/dbraw/zinc/17/19/05/586171905.db2.gz RTDUMFZGNGYUGN-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO CC[C@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC000799324967 586171906 /nfs/dbraw/zinc/17/19/06/586171906.db2.gz RTDUMFZGNGYUGN-LBPRGKRZSA-N 1 3 214.353 1.175 20 0 BDADHO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N)n1 ZINC000811811439 586567208 /nfs/dbraw/zinc/56/72/08/586567208.db2.gz BVKJUAUVGGCPCP-VHSXEESVSA-N 1 3 247.346 1.404 20 0 BDADHO Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N)n1 ZINC000811811439 586567209 /nfs/dbraw/zinc/56/72/09/586567209.db2.gz BVKJUAUVGGCPCP-VHSXEESVSA-N 1 3 247.346 1.404 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCc1ccc([C@H](C)O)cc1 ZINC000817893554 586831995 /nfs/dbraw/zinc/83/19/95/586831995.db2.gz GWKQEXWRTKFTCK-TUAOUCFPSA-N 1 3 236.359 1.955 20 0 BDADHO C[C@H](C[C@H](C)[NH3+])NCCSC(F)(F)F ZINC000817888110 586832319 /nfs/dbraw/zinc/83/23/19/586832319.db2.gz ASGFXAGAGKLSME-NKWVEPMBSA-N 1 3 230.299 1.955 20 0 BDADHO Cc1ccccc1[C@H](O)CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000817890745 586833001 /nfs/dbraw/zinc/83/30/01/586833001.db2.gz YJKMAVSNRCRCKN-VHDGCEQUSA-N 1 3 248.370 1.745 20 0 BDADHO C[C@H](O)c1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000817892511 586833042 /nfs/dbraw/zinc/83/30/42/586833042.db2.gz ASNQGQDHARRQBK-GDLCADMTSA-N 1 3 234.343 1.709 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000817893317 586833913 /nfs/dbraw/zinc/83/39/13/586833913.db2.gz RBFMTAFRCZXUAQ-YRGRVCCFSA-N 1 3 236.359 1.744 20 0 BDADHO C[C@H](O)c1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000817894153 586833959 /nfs/dbraw/zinc/83/39/59/586833959.db2.gz KFJUSPMIDRLKEO-CQDKDKBSSA-N 1 3 248.370 1.957 20 0 BDADHO C[C@@H]1CCCN1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000817911427 586837880 /nfs/dbraw/zinc/83/78/80/586837880.db2.gz AHFBMIXKWBTMEG-FRRDWIJNSA-N 1 3 225.380 1.188 20 0 BDADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1N)N1CCCCC1 ZINC000817914682 586839092 /nfs/dbraw/zinc/83/90/92/586839092.db2.gz XZHMNPLVIGGMNQ-UPJWGTAASA-N 1 3 225.380 1.330 20 0 BDADHO Cc1ccc([C@H](O)CN[C@H]2CCC[C@H]2C[NH3+])o1 ZINC000817913695 586839126 /nfs/dbraw/zinc/83/91/26/586839126.db2.gz QSNMHUUATSVCAZ-SDDRHHMPSA-N 1 3 238.331 1.338 20 0 BDADHO C[C@H]([NH2+]CCN1CCC[C@H]1C)c1cnccc1N ZINC000817913297 586839645 /nfs/dbraw/zinc/83/96/45/586839645.db2.gz NLNWRHMZOAMETA-NEPJUHHUSA-N 1 3 248.374 1.629 20 0 BDADHO Cc1ccc([C@@H](O)C[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000817926374 586841242 /nfs/dbraw/zinc/84/12/42/586841242.db2.gz HOUIESMCOILDPX-RDBSUJKOSA-N 1 3 234.343 1.498 20 0 BDADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H](O)c1ccccc1 ZINC000817930565 586842504 /nfs/dbraw/zinc/84/25/04/586842504.db2.gz DBUCYVSLWLYWLY-CIQGVGRVSA-N 1 3 236.359 1.824 20 0 BDADHO C1CC1[C@H]1CC[C@H]1[NH2+][C@@H]1CCCNCC1 ZINC000817928620 586842580 /nfs/dbraw/zinc/84/25/80/586842580.db2.gz ZEROTPHYRUURRK-JHJVBQTASA-N 1 3 208.349 1.907 20 0 BDADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2N)c1 ZINC000817933175 586843258 /nfs/dbraw/zinc/84/32/58/586843258.db2.gz ZASUEEXGKZYIRX-RRFJBIMHSA-N 1 3 248.370 1.806 20 0 BDADHO Cc1cc(C)cc([C@H](O)C[NH2+][C@H]2CCC[C@@H]2N)c1 ZINC000817933176 586843575 /nfs/dbraw/zinc/84/35/75/586843575.db2.gz ZASUEEXGKZYIRX-SOUVJXGZSA-N 1 3 248.370 1.806 20 0 BDADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCc3n[nH]cc32)C1 ZINC000817970020 586855850 /nfs/dbraw/zinc/85/58/50/586855850.db2.gz JNWAIHLIPFLACX-FOGDFJRCSA-N 1 3 234.347 1.647 20 0 BDADHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc2c(c1)CCO2 ZINC000817970967 586857818 /nfs/dbraw/zinc/85/78/18/586857818.db2.gz ISXUBOLTZVAGJE-VHSXEESVSA-N 1 3 220.316 1.619 20 0 BDADHO C[C@@H]([NH3+])CN[C@H](C)CSC(C)(C)C ZINC000817971784 586858739 /nfs/dbraw/zinc/85/87/39/586858739.db2.gz PZQVZVXJONTRGC-RKDXNWHRSA-N 1 3 204.383 1.843 20 0 BDADHO C[C@H](CSC(C)(C)C)NC[C@H](C)[NH3+] ZINC000817971782 586859090 /nfs/dbraw/zinc/85/90/90/586859090.db2.gz PZQVZVXJONTRGC-DTWKUNHWSA-N 1 3 204.383 1.843 20 0 BDADHO c1[nH]nc2c1[C@H](N[C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000817976624 586860592 /nfs/dbraw/zinc/86/05/92/586860592.db2.gz PSLIIIXYFOOALX-YPMHNXCESA-N 1 3 246.358 1.519 20 0 BDADHO C[C@@H]1CC2(CN1CCF)CC[NH2+]CC2 ZINC000818341208 586887377 /nfs/dbraw/zinc/88/73/77/586887377.db2.gz XZHXDKXVCMEQCT-SNVBAGLBSA-N 1 3 200.301 1.420 20 0 BDADHO C[C@@H](CNC[C@H](O)C1CC1)C[NH+]1CCCC1 ZINC000818965990 586918393 /nfs/dbraw/zinc/91/83/93/586918393.db2.gz GIWJXVUAGPJATQ-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@@H](C[NH2+]C[C@H](O)C1CC1)CN1CCCC1 ZINC000818965990 586918394 /nfs/dbraw/zinc/91/83/94/586918394.db2.gz GIWJXVUAGPJATQ-AAEUAGOBSA-N 1 3 226.364 1.079 20 0 BDADHO C[C@H](CO)[NH2+][C@H](C)c1cccc(CN(C)C)c1 ZINC000820807417 587073138 /nfs/dbraw/zinc/07/31/38/587073138.db2.gz HZVXFQOGAMPGCW-VXGBXAGGSA-N 1 3 236.359 1.780 20 0 BDADHO C1CC1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820805102 587073671 /nfs/dbraw/zinc/07/36/71/587073671.db2.gz FQRSWGTVBYYKTK-VGPLMAKISA-N 1 3 206.333 1.896 20 0 BDADHO C1CC1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820805102 587073673 /nfs/dbraw/zinc/07/36/73/587073673.db2.gz FQRSWGTVBYYKTK-VGPLMAKISA-N 1 3 206.333 1.896 20 0 BDADHO CCCCCCN(C)CC(=O)N[C@H](C)CC[NH3+] ZINC000834452688 587755361 /nfs/dbraw/zinc/75/53/61/587755361.db2.gz JQSLHBTUPNZDEA-GFCCVEGCSA-N 1 3 243.395 1.352 20 0 BDADHO CC1CCN(CCC[NH2+]C[C@H](O)C2CC2)CC1 ZINC000840742679 587918987 /nfs/dbraw/zinc/91/89/87/587918987.db2.gz USCWSJQBJPKAID-AWEZNQCLSA-N 1 3 240.391 1.469 20 0 BDADHO CC1CC[NH+](CCCNC[C@H](O)C2CC2)CC1 ZINC000840742679 587918988 /nfs/dbraw/zinc/91/89/88/587918988.db2.gz USCWSJQBJPKAID-AWEZNQCLSA-N 1 3 240.391 1.469 20 0 BDADHO C[C@H](CCC[NH3+])NCc1cccnc1Cl ZINC000841081868 587945166 /nfs/dbraw/zinc/94/51/66/587945166.db2.gz YSROOIMBLUNOSO-SECBINFHSA-N 1 3 227.739 1.952 20 0 BDADHO NC(=O)[C@@H]1CCCCN1CCCCCCC[NH3+] ZINC000842471482 588028342 /nfs/dbraw/zinc/02/83/42/588028342.db2.gz DBJVYLBARKWOSV-LBPRGKRZSA-N 1 3 241.379 1.235 20 0 BDADHO Cc1ccc([O-])c(C[NH2+]CCCCCC[NH3+])n1 ZINC000843126898 588084183 /nfs/dbraw/zinc/08/41/83/588084183.db2.gz KVWTVGFZCGHNBH-UHFFFAOYSA-N 1 3 237.347 1.704 20 0 BDADHO CC(C)([NH3+])CNc1ccc2c(c1)CNCCO2 ZINC000843126742 588084853 /nfs/dbraw/zinc/08/48/53/588084853.db2.gz VYQMGBIOVDMIAM-UHFFFAOYSA-N 1 3 235.331 1.318 20 0 BDADHO Fc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843339650 588100620 /nfs/dbraw/zinc/10/06/20/588100620.db2.gz CFLDXBRNCCZGSF-KGYLQXTDSA-N 1 3 249.333 1.698 20 0 BDADHO C[C@@H](NCCCCCC[NH3+])c1cnccn1 ZINC000843343640 588101621 /nfs/dbraw/zinc/10/16/21/588101621.db2.gz WLGCQKRXPOQLEG-LLVKDONJSA-N 1 3 222.336 1.646 20 0 BDADHO [NH3+]CCCCCCN1CCOC[C@@H]1C1CC1 ZINC000846221118 588261052 /nfs/dbraw/zinc/26/10/52/588261052.db2.gz SSWZLBRSVXZLIO-CYBMUJFWSA-N 1 3 226.364 1.616 20 0 BDADHO NCc1cccc(C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000846691329 588283062 /nfs/dbraw/zinc/28/30/62/588283062.db2.gz GRXNONVCDDRLSM-UHFFFAOYSA-N 1 3 247.342 1.004 20 0 BDADHO N[C@@H]1CCC[C@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000848719919 588408719 /nfs/dbraw/zinc/40/87/19/588408719.db2.gz OUPDHIBETOWVNB-GRYCIOLGSA-N 1 3 212.337 1.007 20 0 BDADHO Cc1ccc([C@@H](O)CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848722720 588408880 /nfs/dbraw/zinc/40/88/80/588408880.db2.gz PUTRIVXEOOFGNB-KKUMJFAQSA-N 1 3 248.370 1.888 20 0 BDADHO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000848981015 588423620 /nfs/dbraw/zinc/42/36/20/588423620.db2.gz VCHSIAXICASTTD-WDEREUQCSA-N 1 3 226.368 1.383 20 0 BDADHO CC(C)NC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000848987023 588426016 /nfs/dbraw/zinc/42/60/16/588426016.db2.gz GIFSMUSIVZLZDY-NEPJUHHUSA-N 1 3 240.395 1.772 20 0 BDADHO C[C@@H](CNC(=[NH2+])N(C)C)N1CCCC[C@@H]1C ZINC000848987408 588426076 /nfs/dbraw/zinc/42/60/76/588426076.db2.gz ULAKZQIIFHUNMV-QWRGUYRKSA-N 1 3 226.368 1.335 20 0 BDADHO C[C@@H]1CCN(CCNC(=[NH2+])Nc2ccccn2)C1 ZINC000849004445 588431653 /nfs/dbraw/zinc/43/16/53/588431653.db2.gz PVRPKPHYFXXDLA-LLVKDONJSA-N 1 3 247.346 1.360 20 0 BDADHO CCCCNC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030022 588442267 /nfs/dbraw/zinc/44/22/67/588442267.db2.gz DGXOLHONJSGCOS-JTQLQIEISA-N 1 3 214.357 1.098 20 0 BDADHO C[C@@H](CCO)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000850538888 588558675 /nfs/dbraw/zinc/55/86/75/588558675.db2.gz NSZBHXSOVCJYJW-QWHCGFSZSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H](CCO)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850538888 588558677 /nfs/dbraw/zinc/55/86/77/588558677.db2.gz NSZBHXSOVCJYJW-QWHCGFSZSA-N 1 3 240.391 1.754 20 0 BDADHO Cc1cc(CN(C)C2CCC([NH3+])CC2)ncn1 ZINC000852741238 588698321 /nfs/dbraw/zinc/69/83/21/588698321.db2.gz OWXRILKWXRTDPT-UHFFFAOYSA-N 1 3 234.347 1.487 20 0 BDADHO Cc1cc(CN(C)C2CCC([NH3+])CC2)nc(C)n1 ZINC000852741553 588698683 /nfs/dbraw/zinc/69/86/83/588698683.db2.gz VFCZUUXLAUIMIT-UHFFFAOYSA-N 1 3 248.374 1.795 20 0 BDADHO CO[C@@H](C[N@@H+]1CCC[C@H](CN)C1)C1CCCC1 ZINC000852744318 588698814 /nfs/dbraw/zinc/69/88/14/588698814.db2.gz YIQGFIHCBLVXAL-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](C[N@H+]1CCC[C@H](CN)C1)C1CCCC1 ZINC000852744318 588698815 /nfs/dbraw/zinc/69/88/15/588698815.db2.gz YIQGFIHCBLVXAL-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CO[C@@H](CN1CCC[C@H](C[NH3+])C1)C1CCCC1 ZINC000852744318 588698816 /nfs/dbraw/zinc/69/88/16/588698816.db2.gz YIQGFIHCBLVXAL-OCCSQVGLSA-N 1 3 240.391 1.862 20 0 BDADHO CC[C@@H]1C[C@H](CN[C@H]2CC[C@@H](C)[NH2+]C2)CCO1 ZINC000863484017 589293226 /nfs/dbraw/zinc/29/32/26/589293226.db2.gz GKMIVWRBORKBAP-YIYPIFLZSA-N 1 3 240.391 1.922 20 0 BDADHO CCO[C@H](CN1CCC[C@@H](C[NH3+])C1)C1CC1 ZINC000863539548 589296630 /nfs/dbraw/zinc/29/66/30/589296630.db2.gz DZXXVLIUFHQNGS-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@H](C[N@@H+]1CCC[C@@H](CN)C1)C1CC1 ZINC000863539548 589296631 /nfs/dbraw/zinc/29/66/31/589296631.db2.gz DZXXVLIUFHQNGS-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CCO[C@H](C[N@H+]1CCC[C@@H](CN)C1)C1CC1 ZINC000863539548 589296633 /nfs/dbraw/zinc/29/66/33/589296633.db2.gz DZXXVLIUFHQNGS-WCQYABFASA-N 1 3 226.364 1.472 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864468189 589372058 /nfs/dbraw/zinc/37/20/58/589372058.db2.gz GOWLVNFYNZUXDC-WOPDTQHZSA-N 1 3 238.379 1.383 20 0 BDADHO CCCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864468185 589372286 /nfs/dbraw/zinc/37/22/86/589372286.db2.gz GOWLVNFYNZUXDC-SDDRHHMPSA-N 1 3 238.379 1.383 20 0 BDADHO C[C@@H]1C[N@H+](CCC2SCCS2)C[C@H]1CN ZINC000866672683 589510727 /nfs/dbraw/zinc/51/07/27/589510727.db2.gz QPKCPKBFUJEEKZ-NXEZZACHSA-N 1 3 246.445 1.709 20 0 BDADHO C[C@@H]1C[N@@H+](CCC2SCCS2)C[C@H]1CN ZINC000866672683 589510728 /nfs/dbraw/zinc/51/07/28/589510728.db2.gz QPKCPKBFUJEEKZ-NXEZZACHSA-N 1 3 246.445 1.709 20 0 BDADHO CN(CCOCC[NH3+])Cc1ccc2cc[nH]c2c1 ZINC000866717851 589515352 /nfs/dbraw/zinc/51/53/52/589515352.db2.gz RJZFHWDKRAXBSP-UHFFFAOYSA-N 1 3 247.342 1.575 20 0 BDADHO CCC[C@@](C)(N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987479 589706148 /nfs/dbraw/zinc/70/61/48/589706148.db2.gz JAIWMJXNUQNTSW-ZWNOBZJWSA-N 1 3 241.379 1.008 20 0 BDADHO COCCCCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153982 589885270 /nfs/dbraw/zinc/88/52/70/589885270.db2.gz PZMZNMIIURPQFZ-QWHCGFSZSA-N 1 3 226.364 1.344 20 0 BDADHO CC(C)(C)NCC[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873215923 589998416 /nfs/dbraw/zinc/99/84/16/589998416.db2.gz HKTYCPCLDSBLJP-NWBUJAPZSA-N 1 3 238.375 1.388 20 0 BDADHO CN(CCCCCC[NH3+])Cc1cnc(N)cn1 ZINC000873231598 590002618 /nfs/dbraw/zinc/00/26/18/590002618.db2.gz QTVHHMPIMGHRSC-UHFFFAOYSA-N 1 3 237.351 1.010 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000873234677 590004445 /nfs/dbraw/zinc/00/44/45/590004445.db2.gz FNERCZYRHPOVMO-DCAQKATOSA-N 1 3 216.394 1.845 20 0 BDADHO Cc1cc([C@@H](C)NC[C@H]2C[C@H]([NH3+])C2)no1 ZINC000873254957 590006763 /nfs/dbraw/zinc/00/67/63/590006763.db2.gz CGPMQLSZBGMOBE-OPRDCNLKSA-N 1 3 209.293 1.371 20 0 BDADHO Cc1nccnc1[C@@H](C)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000873251182 590007923 /nfs/dbraw/zinc/00/79/23/590007923.db2.gz UTVQYQASFSVLTF-MXWKQRLJSA-N 1 3 220.320 1.173 20 0 BDADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873250457 590008148 /nfs/dbraw/zinc/00/81/48/590008148.db2.gz RFZBIQIYBAHWSX-YNEHKIRRSA-N 1 3 240.391 1.909 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873250450 590008363 /nfs/dbraw/zinc/00/83/63/590008363.db2.gz RFZBIQIYBAHWSX-RWMBFGLXSA-N 1 3 240.391 1.909 20 0 BDADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000873281601 590018342 /nfs/dbraw/zinc/01/83/42/590018342.db2.gz MLOHZWJUMMRLLR-ZUWCUPBKSA-N 1 3 238.375 1.804 20 0 BDADHO C[C@H](N)C[C@H](C)[NH2+]CCC[C@H]1CCOC1=O ZINC000873282251 590018960 /nfs/dbraw/zinc/01/89/60/590018960.db2.gz GODWUNFDTXEVNL-DCAQKATOSA-N 1 3 228.336 1.045 20 0 BDADHO CC(C)N1CCC([NH2+]CCCN(C)C)CC1 ZINC000019958190 590056175 /nfs/dbraw/zinc/05/61/75/590056175.db2.gz WTYGEXWAVGSWAC-UHFFFAOYSA-N 1 3 227.396 1.401 20 0 BDADHO CCN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000020593512 590125188 /nfs/dbraw/zinc/12/51/88/590125188.db2.gz SHCLAWBUTZRELZ-UHFFFAOYSA-N 1 3 225.380 1.014 20 0 BDADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000877103536 590284287 /nfs/dbraw/zinc/28/42/87/590284287.db2.gz WYBSHRHMRBYFFH-RYUDHWBXSA-N 1 3 241.379 1.057 20 0 BDADHO CCCCCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867571 590636412 /nfs/dbraw/zinc/63/64/12/590636412.db2.gz GXQVWHDSZAFUAA-AWEZNQCLSA-N 1 3 242.407 1.955 20 0 BDADHO C[C@H](O)CCC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580029 590816568 /nfs/dbraw/zinc/81/65/68/590816568.db2.gz DICCNKUPFYANBT-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@H](O)CCC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580029 590816570 /nfs/dbraw/zinc/81/65/70/590816570.db2.gz DICCNKUPFYANBT-AVGNSLFASA-N 1 3 226.364 1.173 20 0 BDADHO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCN3C)C2)O1 ZINC000879583346 590821734 /nfs/dbraw/zinc/82/17/34/590821734.db2.gz XYNDMYZIHHTTEO-AAVRWANBSA-N 1 3 238.375 1.580 20 0 BDADHO C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCN3C)C2)O1 ZINC000879583346 590821736 /nfs/dbraw/zinc/82/17/36/590821736.db2.gz XYNDMYZIHHTTEO-AAVRWANBSA-N 1 3 238.375 1.580 20 0 BDADHO CN1CCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880142968 590944765 /nfs/dbraw/zinc/94/47/65/590944765.db2.gz WYABWXQEBJVFQF-HZSPNIEDSA-N 1 3 237.391 1.249 20 0 BDADHO CN1CCC[C@@H]1C[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880142968 590944769 /nfs/dbraw/zinc/94/47/69/590944769.db2.gz WYABWXQEBJVFQF-HZSPNIEDSA-N 1 3 237.391 1.249 20 0 BDADHO CC1([NH+]2CCC2)CCN(C[C@@H]2CCOC2)CC1 ZINC000880472151 591051965 /nfs/dbraw/zinc/05/19/65/591051965.db2.gz FIXMMVLPUUEMHP-ZDUSSCGKSA-N 1 3 238.375 1.583 20 0 BDADHO C[NH2+]CC1CCN(C/C=C\Cl)CC1 ZINC000214109635 591534857 /nfs/dbraw/zinc/53/48/57/591534857.db2.gz AFCBQLVRMZXTNU-DJWKRKHSSA-N 1 3 202.729 1.670 20 0 BDADHO [NH3+]CCCCCCNCc1cncs1 ZINC000131574663 591623644 /nfs/dbraw/zinc/62/36/44/591623644.db2.gz WMFFAKZZPOZRTA-UHFFFAOYSA-N 1 3 213.350 1.752 20 0 BDADHO CC1(C)Nc2ccccc2[C@@H]1NCCOCC[NH3+] ZINC000883464100 591675404 /nfs/dbraw/zinc/67/54/04/591675404.db2.gz FOORSHVNHBEMNC-ZDUSSCGKSA-N 1 3 249.358 1.497 20 0 BDADHO CC(C)SCCN[C@H]1CCC[NH2+]CC1 ZINC000215465411 591948020 /nfs/dbraw/zinc/94/80/20/591948020.db2.gz IFHUZSMUTUYIBA-NSHDSACASA-N 1 3 216.394 1.860 20 0 BDADHO [NH3+]CC[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000216613727 592058657 /nfs/dbraw/zinc/05/86/57/592058657.db2.gz JTOHZEBWKOOZBW-ODTOEKCJSA-N 1 3 202.729 1.800 20 0 BDADHO CCC1(N2CCC2)CC[NH+](C[C@H](C)CO)CC1 ZINC000886715906 592309390 /nfs/dbraw/zinc/30/93/90/592309390.db2.gz IMFVWSZANQBRLB-ZDUSSCGKSA-N 1 3 240.391 1.565 20 0 BDADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827710 592350642 /nfs/dbraw/zinc/35/06/42/592350642.db2.gz QDPZCHJJXNODFX-BFHYXJOUSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827710 592350649 /nfs/dbraw/zinc/35/06/49/592350649.db2.gz QDPZCHJJXNODFX-BFHYXJOUSA-N 1 3 238.375 1.344 20 0 BDADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827710 592350654 /nfs/dbraw/zinc/35/06/54/592350654.db2.gz QDPZCHJJXNODFX-BFHYXJOUSA-N 1 3 238.375 1.344 20 0 BDADHO NCC[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886838551 592357780 /nfs/dbraw/zinc/35/77/80/592357780.db2.gz ZSYIKGDUPWBJKH-MELADBBJSA-N 1 3 238.375 1.616 20 0 BDADHO NCC[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886838551 592357786 /nfs/dbraw/zinc/35/77/86/592357786.db2.gz ZSYIKGDUPWBJKH-MELADBBJSA-N 1 3 238.375 1.616 20 0 BDADHO COCCN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867513 592374870 /nfs/dbraw/zinc/37/48/70/592374870.db2.gz GZQCHEINZCUZBU-LBPRGKRZSA-N 1 3 212.337 1.098 20 0 BDADHO CC[C@@H](CNC(=[NH2+])NCC1CC1)N1CCCC1 ZINC000887348614 592484999 /nfs/dbraw/zinc/48/49/99/592484999.db2.gz QNGHUFGTDYWFEO-LBPRGKRZSA-N 1 3 238.379 1.385 20 0 BDADHO COC1CC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000300215101 592504596 /nfs/dbraw/zinc/50/45/96/592504596.db2.gz JJGLXWWJBRMXRZ-FIYWTHMPSA-N 1 3 224.348 1.380 20 0 BDADHO COC1CC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000300215101 592504599 /nfs/dbraw/zinc/50/45/99/592504599.db2.gz JJGLXWWJBRMXRZ-FIYWTHMPSA-N 1 3 224.348 1.380 20 0 BDADHO C[C@H]1CN(CCCCCCO)CC[C@H]1[NH3+] ZINC000300332481 592507049 /nfs/dbraw/zinc/50/70/49/592507049.db2.gz RWYDUPBVLPSSCA-NWDGAFQWSA-N 1 3 214.353 1.208 20 0 BDADHO [NH3+]C[C@H](NCCSC(F)(F)F)C1CC1 ZINC001580228421 986671890 /nfs/dbraw/zinc/67/18/90/986671890.db2.gz APCHMXFSCZLPAE-ZETCQYMHSA-N 1 3 228.283 1.566 20 0 BDADHO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC23CCC3)CCO1 ZINC000925706122 634388049 /nfs/dbraw/zinc/38/80/49/634388049.db2.gz LSJOFJHMOBMHSR-XQQFMLRXSA-N 1 3 238.375 1.818 20 0 BDADHO C[C@@H](CN[C@@H]1COCC1(C)C)C[NH+]1CCCC1 ZINC000313024117 634438274 /nfs/dbraw/zinc/43/82/74/634438274.db2.gz BQTNZSUUZZYGOW-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO C[C@@H](C[NH2+][C@@H]1COCC1(C)C)CN1CCCC1 ZINC000313024117 634438277 /nfs/dbraw/zinc/43/82/77/634438277.db2.gz BQTNZSUUZZYGOW-QWHCGFSZSA-N 1 3 240.391 1.733 20 0 BDADHO C([C@H]1CCCOC1)[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257697481 634471651 /nfs/dbraw/zinc/47/16/51/634471651.db2.gz PDWQJIFTQFDFOB-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO C([C@H]1CCCOC1)[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000257697481 634471656 /nfs/dbraw/zinc/47/16/56/634471656.db2.gz PDWQJIFTQFDFOB-ZIAGYGMSSA-N 1 3 238.375 1.631 20 0 BDADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000253100453 634490554 /nfs/dbraw/zinc/49/05/54/634490554.db2.gz QCFIWQOXKNHPGH-ZOBORPQBSA-N 1 3 246.354 1.880 20 0 BDADHO C[NH2+]CCCN1CCN(C)C[C@H]1CC(C)C ZINC000257771704 634496740 /nfs/dbraw/zinc/49/67/40/634496740.db2.gz DAOVUABLGMWXHZ-CYBMUJFWSA-N 1 3 227.396 1.258 20 0 BDADHO C[C@H]1CC[NH2+]C[C@H]1NCC[C@H]1CCCO1 ZINC000925774227 635233745 /nfs/dbraw/zinc/23/37/45/635233745.db2.gz LMWZHLLJFVNWNU-QJPTWQEYSA-N 1 3 212.337 1.143 20 0 BDADHO C[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040802650 635422665 /nfs/dbraw/zinc/42/26/65/635422665.db2.gz BHDBPITYZSSVMF-YPMHNXCESA-N 1 3 249.358 1.143 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)CCS1 ZINC000925857096 635548920 /nfs/dbraw/zinc/54/89/20/635548920.db2.gz HDZGCYGCVGQMDQ-KXNHARMFSA-N 1 3 228.405 1.988 20 0 BDADHO Cc1ccc(NCCN[C@H](C)[C@H]2CC[NH2+]C2)nc1 ZINC000925878005 635606198 /nfs/dbraw/zinc/60/61/98/635606198.db2.gz OQIILEGTYDBHQX-OLZOCXBDSA-N 1 3 248.374 1.390 20 0 BDADHO COC[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000062078981 631646384 /nfs/dbraw/zinc/64/63/84/631646384.db2.gz MYOLWZJPMDVLOR-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO COC[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000062078981 631646386 /nfs/dbraw/zinc/64/63/86/631646386.db2.gz MYOLWZJPMDVLOR-RYUDHWBXSA-N 1 3 214.353 1.343 20 0 BDADHO CC[C@H]1COCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919054 632013221 /nfs/dbraw/zinc/01/32/21/632013221.db2.gz UPYOKBKEEKUOLW-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO C[C@@H]1CN(c2cc[nH+]cc2CO)C[C@H](C)N1C ZINC000128067110 632403218 /nfs/dbraw/zinc/40/32/18/632403218.db2.gz KGAKOHMKWIAEMH-PHIMTYICSA-N 1 3 235.331 1.103 20 0 BDADHO CC1(C)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309056135 632631538 /nfs/dbraw/zinc/63/15/38/632631538.db2.gz JSQCXFOSGZIEAG-GFCCVEGCSA-N 1 3 226.364 1.175 20 0 BDADHO C([C@H]1CCCCO1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000309420313 633044196 /nfs/dbraw/zinc/04/41/96/633044196.db2.gz WPPFARPVLVDDGL-YNEHKIRRSA-N 1 3 224.348 1.097 20 0 BDADHO Cc1cc(N)nc(NCC[C@@H](C)[NH+](C)C)n1 ZINC000894521322 635903847 /nfs/dbraw/zinc/90/38/47/635903847.db2.gz MWYNUYMONUXREZ-SECBINFHSA-N 1 3 223.324 1.119 20 0 BDADHO C1=CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328419653 633763627 /nfs/dbraw/zinc/76/36/27/633763627.db2.gz JLVCWLXIKADBDM-XDSHMYFISA-N 1 3 232.371 1.929 20 0 BDADHO CC1(C)C[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328575015 633777898 /nfs/dbraw/zinc/77/78/98/633777898.db2.gz XPCYRGCKGLTMHZ-JSAZDUPASA-N 1 3 220.360 1.619 20 0 BDADHO CC1(C)[C@H]([NH2+]CC2CC2)[C@@H]2CCCN[C@@H]21 ZINC000925537417 633939518 /nfs/dbraw/zinc/93/95/18/633939518.db2.gz XIPVYYQAMPLHND-GRYCIOLGSA-N 1 3 208.349 1.763 20 0 BDADHO CCCCN(C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000309983041 634024556 /nfs/dbraw/zinc/02/45/56/634024556.db2.gz POFLFVSQWZMUFE-AWEZNQCLSA-N 1 3 240.391 1.708 20 0 BDADHO N[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)C12CCC2 ZINC000925645021 634198296 /nfs/dbraw/zinc/19/82/96/634198296.db2.gz OYFNWXMBSCAGOF-FIQHERPVSA-N 1 3 224.348 1.149 20 0 BDADHO Cc1nccnc1CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925677720 634272900 /nfs/dbraw/zinc/27/29/00/634272900.db2.gz ZLPJSRAKIFABRM-OLZOCXBDSA-N 1 3 246.358 1.187 20 0 BDADHO COCC[C@H](C)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925686906 634300441 /nfs/dbraw/zinc/30/04/41/634300441.db2.gz XKPMUBHPGKYTIT-VZKILSJISA-N 1 3 238.375 1.245 20 0 BDADHO CC(C)O[C@H]1C[C@@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925697283 634357152 /nfs/dbraw/zinc/35/71/52/634357152.db2.gz XJJLXBKNAAYFQD-YVECIDJPSA-N 1 3 238.375 1.802 20 0 BDADHO COC[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)C(C)C ZINC000925873896 635595210 /nfs/dbraw/zinc/59/52/10/635595210.db2.gz MWGOWPVMMHGWJI-RWMBFGLXSA-N 1 3 228.380 1.622 20 0 BDADHO CC[NH+]1CCC(Nc2cc(C)nc(N)n2)CC1 ZINC000221085604 636341085 /nfs/dbraw/zinc/34/10/85/636341085.db2.gz FXTXCHCRKMYMRE-UHFFFAOYSA-N 1 3 235.335 1.263 20 0 BDADHO COCC1(N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902363382 637300074 /nfs/dbraw/zinc/30/00/74/637300074.db2.gz LWXIRRCGRPJASD-LLVKDONJSA-N 1 3 226.364 1.533 20 0 BDADHO C[NH2+]CCCN1CCC[C@H]1COC(C)(C)C ZINC000903565451 637371772 /nfs/dbraw/zinc/37/17/72/637371772.db2.gz LHKIKUVJFQKIFW-LBPRGKRZSA-N 1 3 228.380 1.875 20 0 BDADHO NC1(C[NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000904448616 637414052 /nfs/dbraw/zinc/41/40/52/637414052.db2.gz CNMJVLIOTCJGED-UHFFFAOYSA-N 1 3 248.355 1.515 20 0 BDADHO [NH3+]C1(CNCc2cc(-n3ccnc3)cs2)CC1 ZINC000904448616 637414056 /nfs/dbraw/zinc/41/40/56/637414056.db2.gz CNMJVLIOTCJGED-UHFFFAOYSA-N 1 3 248.355 1.515 20 0 BDADHO C[C@](O)(CNC[C@@H]1CC[N@@H+](C2CC2)C1)C(F)F ZINC000905058432 637593078 /nfs/dbraw/zinc/59/30/78/637593078.db2.gz GPHXDACETQVGPX-CABZTGNLSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@](O)(CNC[C@@H]1CC[N@H+](C2CC2)C1)C(F)F ZINC000905058432 637593083 /nfs/dbraw/zinc/59/30/83/637593083.db2.gz GPHXDACETQVGPX-CABZTGNLSA-N 1 3 248.317 1.076 20 0 BDADHO C[C@](O)(C[NH2+]C[C@@H]1CCN(C2CC2)C1)C(F)F ZINC000905058432 637593087 /nfs/dbraw/zinc/59/30/87/637593087.db2.gz GPHXDACETQVGPX-CABZTGNLSA-N 1 3 248.317 1.076 20 0 BDADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911817787 639850204 /nfs/dbraw/zinc/85/02/04/639850204.db2.gz GVPKDWSURZIKSO-SDDRHHMPSA-N 1 3 243.395 1.240 20 0 BDADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)C[C@H](C)CC ZINC000911881400 639867256 /nfs/dbraw/zinc/86/72/56/639867256.db2.gz QXQKOOSLAAHFTP-IJLUTSLNSA-N 1 3 243.395 1.384 20 0 BDADHO C[NH+]1C[C@]2(C)CN(CCCF)C[C@@]2(C)C1 ZINC000931311775 640145597 /nfs/dbraw/zinc/14/55/97/640145597.db2.gz STKJEKCBKLCWDA-VXGBXAGGSA-N 1 3 214.328 1.620 20 0 BDADHO CC[C@@H](CO)[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000931752476 640350055 /nfs/dbraw/zinc/35/00/55/640350055.db2.gz MTNQTNVFPFTXPC-ZDUSSCGKSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)CCO1 ZINC000932346142 640488409 /nfs/dbraw/zinc/48/84/09/640488409.db2.gz FUKJKCGCHIXKHW-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)CCO1 ZINC000932346142 640488414 /nfs/dbraw/zinc/48/84/14/640488414.db2.gz FUKJKCGCHIXKHW-CHWSQXEVSA-N 1 3 226.364 1.582 20 0 BDADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1 ZINC000224882301 640645559 /nfs/dbraw/zinc/64/55/59/640645559.db2.gz IAMRDIPSTPLJLD-NWANDNLSSA-N 1 3 248.370 1.779 20 0 BDADHO CC(C)(C)NC(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000228335722 640870866 /nfs/dbraw/zinc/87/08/66/640870866.db2.gz GFABVYDYNSZTNV-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000228335722 640870869 /nfs/dbraw/zinc/87/08/69/640870869.db2.gz GFABVYDYNSZTNV-GHMZBOCLSA-N 1 3 241.379 1.008 20 0 BDADHO NC[C@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231940087 641217138 /nfs/dbraw/zinc/21/71/38/641217138.db2.gz VUXLGQRQFKHDCF-SFYZADRCSA-N 1 3 242.310 1.956 20 0 BDADHO C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCOC1 ZINC000232450088 641272519 /nfs/dbraw/zinc/27/25/19/641272519.db2.gz PFCIOJIGUTVZLG-RYUDHWBXSA-N 1 3 212.337 1.145 20 0 BDADHO CC(C)COCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000232671257 641338994 /nfs/dbraw/zinc/33/89/94/641338994.db2.gz ODQIBPBVVCZBJQ-OLZOCXBDSA-N 1 3 228.380 1.576 20 0 BDADHO C[C@@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040802658 641537316 /nfs/dbraw/zinc/53/73/16/641537316.db2.gz BHDBPITYZSSVMF-DGCLKSJQSA-N 1 3 249.358 1.143 20 0 BDADHO C[C@@H](CCO)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000305119580 642641799 /nfs/dbraw/zinc/64/17/99/642641799.db2.gz JENXKTROFTUMSV-LBPRGKRZSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@H](CCO)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000305119578 642642449 /nfs/dbraw/zinc/64/24/49/642642449.db2.gz JENXKTROFTUMSV-GFCCVEGCSA-N 1 3 240.391 1.754 20 0 BDADHO C[C@@H]1C[C@H](NCCCCCC[NH3+])c2nccn21 ZINC000843343246 643308632 /nfs/dbraw/zinc/30/86/32/643308632.db2.gz YJYVNVPLKGRDCO-NEPJUHHUSA-N 1 3 236.363 1.998 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@@H+]1CCc1cccs1 ZINC000307079584 643406077 /nfs/dbraw/zinc/40/60/77/643406077.db2.gz HUKVAKYGCGBABM-ONGXEEELSA-N 1 3 210.346 1.712 20 0 BDADHO C[C@H]1[C@@H](N)CC[N@H+]1CCc1cccs1 ZINC000307079584 643406082 /nfs/dbraw/zinc/40/60/82/643406082.db2.gz HUKVAKYGCGBABM-ONGXEEELSA-N 1 3 210.346 1.712 20 0 BDADHO CCO[C@H]1C[C@@H](NCC[NH3+])C12CCCCC2 ZINC000083532413 643585608 /nfs/dbraw/zinc/58/56/08/643585608.db2.gz LGBVAXGNERNNQC-NEPJUHHUSA-N 1 3 226.364 1.663 20 0 BDADHO [NH3+]C[C@@H]1CCC[C@H]1NCCC(F)(F)F ZINC000084221752 643651517 /nfs/dbraw/zinc/65/15/17/643651517.db2.gz OHOBDVDHXPMXTQ-JGVFFNPUSA-N 1 3 210.243 1.656 20 0 BDADHO Cc1ccc([C@H](O)CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000923281728 644313896 /nfs/dbraw/zinc/31/38/96/644313896.db2.gz ROZCHHSNIZDBPV-DZGCQCFKSA-N 1 3 248.370 1.699 20 0 BDADHO CC(C)CC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923280908 644314881 /nfs/dbraw/zinc/31/48/81/644314881.db2.gz JTCQATBAZRIOBN-VXGBXAGGSA-N 1 3 214.353 1.064 20 0 BDADHO Cc1ccc([C@H](O)CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000923281730 644314991 /nfs/dbraw/zinc/31/49/91/644314991.db2.gz ROZCHHSNIZDBPV-UKRRQHHQSA-N 1 3 248.370 1.699 20 0 BDADHO CCCN(Cc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923297933 644335023 /nfs/dbraw/zinc/33/50/23/644335023.db2.gz POVJTMKHMWXTSH-KKUMJFAQSA-N 1 3 248.370 1.749 20 0 BDADHO CC(C)CC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000923335179 644356877 /nfs/dbraw/zinc/35/68/77/644356877.db2.gz LXGFTRMHODGCBD-ZIAGYGMSSA-N 1 3 242.407 1.857 20 0 BDADHO CSC[C@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923374195 644388041 /nfs/dbraw/zinc/38/80/41/644388041.db2.gz SBAXAHLMHUEANV-NEPJUHHUSA-N 1 3 246.420 1.208 20 0 BDADHO CC[C@H](CC(F)F)C[NH+]1CCNCCNCC1 ZINC000923461280 644446537 /nfs/dbraw/zinc/44/65/37/644446537.db2.gz VEABEGQAEYSRAW-LLVKDONJSA-N 1 3 249.349 1.163 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923531094 644487937 /nfs/dbraw/zinc/48/79/37/644487937.db2.gz PBENCFQMKDWYFP-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@]2(C1)CCCCN2 ZINC000923531094 644487943 /nfs/dbraw/zinc/48/79/43/644487943.db2.gz PBENCFQMKDWYFP-BFHYXJOUSA-N 1 3 238.375 1.629 20 0 BDADHO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2)[C@H]1CN ZINC000252203665 644842856 /nfs/dbraw/zinc/84/28/56/644842856.db2.gz UQFCYRZEUMVRAD-VHDGCEQUSA-N 1 3 248.370 1.779 20 0 BDADHO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)[C@H]1CN ZINC000252203665 644842859 /nfs/dbraw/zinc/84/28/59/644842859.db2.gz UQFCYRZEUMVRAD-VHDGCEQUSA-N 1 3 248.370 1.779 20 0 BDADHO CC1(C)CN(C(=O)CCCCCC[NH3+])CCN1 ZINC000841856265 645230461 /nfs/dbraw/zinc/23/04/61/645230461.db2.gz MEOZLYPBEMGTRQ-UHFFFAOYSA-N 1 3 241.379 1.106 20 0 BDADHO COCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925494180 645732253 /nfs/dbraw/zinc/73/22/53/645732253.db2.gz IZABAMKFXIHEMT-KBPBESRZSA-N 1 3 240.391 1.781 20 0 BDADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)CC2CC2)c1 ZINC000884370428 645874855 /nfs/dbraw/zinc/87/48/55/645874855.db2.gz JKDINXKXVXKDEO-CYBMUJFWSA-N 1 3 247.342 1.520 20 0 BDADHO COCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925500794 645943234 /nfs/dbraw/zinc/94/32/34/645943234.db2.gz FJBJJGWWXKGGRD-STQMWFEESA-N 1 3 226.364 1.391 20 0 BDADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1ccnc1 ZINC000924535523 646054403 /nfs/dbraw/zinc/05/44/03/646054403.db2.gz XJDVICNTCQTAJP-PBWFPOADSA-N 1 3 248.374 1.203 20 0 BDADHO COC/C(C)=C\C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637261 646209961 /nfs/dbraw/zinc/20/99/61/646209961.db2.gz GAHXWTVOVVDKMV-XLVZXTRVSA-N 1 3 226.364 1.463 20 0 BDADHO COC/C(C)=C\C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637261 646209964 /nfs/dbraw/zinc/20/99/64/646209964.db2.gz GAHXWTVOVVDKMV-XLVZXTRVSA-N 1 3 226.364 1.463 20 0 BDADHO CC(C)N1CCC([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000925302233 646233269 /nfs/dbraw/zinc/23/32/69/646233269.db2.gz ACXJPSZIVMCZMX-LBPRGKRZSA-N 1 3 248.374 2.000 20 0 BDADHO CCOCCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925482033 646295782 /nfs/dbraw/zinc/29/57/82/646295782.db2.gz STMHYIJNELKIML-LBPRGKRZSA-N 1 3 226.364 1.677 20 0 BDADHO CCC(CC)(CCO)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925529197 646318153 /nfs/dbraw/zinc/31/81/53/646318153.db2.gz ZPSMIGWRVYCPKN-CHWSQXEVSA-N 1 3 242.407 1.905 20 0 BDADHO CCC(CC)CN[C@@H]1C[NH2+]CCOC1 ZINC000925548384 646326144 /nfs/dbraw/zinc/32/61/44/646326144.db2.gz GNGLOTACVMUVHH-LLVKDONJSA-N 1 3 200.326 1.001 20 0 BDADHO CC1(C)[C@@H](N[C@H]2CCSC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925571181 646340346 /nfs/dbraw/zinc/34/03/46/646340346.db2.gz AWQLEAYDWYQBCS-USZNOCQGSA-N 1 3 240.416 1.858 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+][C@H]1CCSC1 ZINC000925571181 646340347 /nfs/dbraw/zinc/34/03/47/646340347.db2.gz AWQLEAYDWYQBCS-USZNOCQGSA-N 1 3 240.416 1.858 20 0 BDADHO CC1(C)[C@H]([NH2+]C2CCC2)[C@@H]2CCCN[C@@H]21 ZINC000925595111 646351849 /nfs/dbraw/zinc/35/18/49/646351849.db2.gz MYTIELKHGSAOQD-GRYCIOLGSA-N 1 3 208.349 1.905 20 0 BDADHO C[C@H]1CCCN1CCN[C@H]1CC[NH2+]C1(C)C ZINC000925621836 646366605 /nfs/dbraw/zinc/36/66/05/646366605.db2.gz GZAVALVXRJSMKU-RYUDHWBXSA-N 1 3 225.380 1.201 20 0 BDADHO CC(C)[C@@H](O)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925621234 646368364 /nfs/dbraw/zinc/36/83/64/646368364.db2.gz ZTTSVANMJRFUJT-MROQNXINSA-N 1 3 240.391 1.370 20 0 BDADHO CC(C)[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925621234 646368367 /nfs/dbraw/zinc/36/83/67/646368367.db2.gz ZTTSVANMJRFUJT-MROQNXINSA-N 1 3 240.391 1.370 20 0 BDADHO C[C@H]1CCCN1CCN[C@H]1CC[NH2+]C12CCC2 ZINC000925624665 646370472 /nfs/dbraw/zinc/37/04/72/646370472.db2.gz ZLGKSUOYSKKTSW-STQMWFEESA-N 1 3 237.391 1.345 20 0 BDADHO COCCC(C)(C)C[NH2+][C@@H]1CCNC12CCC2 ZINC000925638822 646382465 /nfs/dbraw/zinc/38/24/65/646382465.db2.gz GODGHJNSXUPSCD-GFCCVEGCSA-N 1 3 240.391 1.923 20 0 BDADHO CC[C@@H](CO)[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925643670 646385057 /nfs/dbraw/zinc/38/50/57/646385057.db2.gz GYVZRAMNGYGLDT-MELADBBJSA-N 1 3 240.391 1.515 20 0 BDADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCCO ZINC000925655884 646395282 /nfs/dbraw/zinc/39/52/82/646395282.db2.gz XJLOKTDKRBSVBB-AVGNSLFASA-N 1 3 240.391 1.515 20 0 BDADHO C[C@H](COCC1CC1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925703344 646427417 /nfs/dbraw/zinc/42/74/17/646427417.db2.gz TWKQQWLZSNJJOB-RAIGVLPGSA-N 1 3 238.375 1.661 20 0 BDADHO C[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925703344 646427421 /nfs/dbraw/zinc/42/74/21/646427421.db2.gz TWKQQWLZSNJJOB-RAIGVLPGSA-N 1 3 238.375 1.661 20 0 BDADHO N[C@H]1CCC[C@@H]1[NH2+]CCc1ccns1 ZINC000925733994 646457968 /nfs/dbraw/zinc/45/79/68/646457968.db2.gz YWZHQJJPFITVBO-UWVGGRQHSA-N 1 3 211.334 1.155 20 0 BDADHO Nc1ccnc(CN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000925767151 646468072 /nfs/dbraw/zinc/46/80/72/646468072.db2.gz NIPFPNCFOQFCHA-STQMWFEESA-N 1 3 234.347 1.413 20 0 BDADHO C[C@H](NC[C@H]1CC2(CCC2)CO1)C1C[NH2+]C1 ZINC000925772732 646472941 /nfs/dbraw/zinc/47/29/41/646472941.db2.gz JOTHSMFAQAFQSI-CMPLNLGQSA-N 1 3 224.348 1.143 20 0 BDADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)O1 ZINC000925775249 646475023 /nfs/dbraw/zinc/47/50/23/646475023.db2.gz DVOARNWFXYSUAQ-ZNSHCXBVSA-N 1 3 248.317 1.387 20 0 BDADHO C[C@H](NCCN1CCC([NH3+])CC1)c1ccco1 ZINC000925808952 646490781 /nfs/dbraw/zinc/49/07/81/646490781.db2.gz FIWFNTXXTMNNFC-NSHDSACASA-N 1 3 237.347 1.353 20 0 BDADHO CCC[C@H](O)CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925860420 646512481 /nfs/dbraw/zinc/51/24/81/646512481.db2.gz YKCALEIQDZKPFL-QJPTWQEYSA-N 1 3 226.364 1.397 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]1CCCCO1 ZINC000396602610 711702561 /nfs/dbraw/zinc/70/25/61/711702561.db2.gz NVNJLCCCBIMLJO-AVGNSLFASA-N 1 3 226.364 1.676 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@H+](CCCCCCO)C[C@H]1CN ZINC000397302718 711705312 /nfs/dbraw/zinc/70/53/12/711705312.db2.gz LDRXSKAWULCUKC-MGPQQGTHSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H]1C[C@@H](C)[N@@H+](CCCCCCO)C[C@H]1CN ZINC000397302718 711705313 /nfs/dbraw/zinc/70/53/13/711705313.db2.gz LDRXSKAWULCUKC-MGPQQGTHSA-N 1 3 242.407 1.844 20 0 BDADHO C[C@@H]1CC[C@@H](CNC[C@@]2(C)CCC[NH2+]C2)O1 ZINC000398133828 711708884 /nfs/dbraw/zinc/70/88/84/711708884.db2.gz WSHGMDFUJKYXQB-AGIUHOORSA-N 1 3 226.364 1.533 20 0 BDADHO NC[C@H]1C[N@H+](CCc2cccs2)CCCO1 ZINC000313374216 711721010 /nfs/dbraw/zinc/72/10/10/711721010.db2.gz KJUSTCDIJVGYTR-NSHDSACASA-N 1 3 240.372 1.340 20 0 BDADHO NC[C@H]1C[N@@H+](CCc2cccs2)CCCO1 ZINC000313374216 711721012 /nfs/dbraw/zinc/72/10/12/711721012.db2.gz KJUSTCDIJVGYTR-NSHDSACASA-N 1 3 240.372 1.340 20 0 BDADHO NCC[C@H]1CCCC[N@@H+]1CCCCCCO ZINC000236252651 711761678 /nfs/dbraw/zinc/76/16/78/711761678.db2.gz DAZRJFCBOJAKLA-CYBMUJFWSA-N 1 3 228.380 1.742 20 0 BDADHO NCC[C@H]1CCCC[N@H+]1CCCCCCO ZINC000236252651 711761680 /nfs/dbraw/zinc/76/16/80/711761680.db2.gz DAZRJFCBOJAKLA-CYBMUJFWSA-N 1 3 228.380 1.742 20 0 BDADHO C[C@H](O)CCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705669023 712134963 /nfs/dbraw/zinc/13/49/63/712134963.db2.gz LHYLFSLEQKWAAW-YNEHKIRRSA-N 1 3 226.364 1.031 20 0 BDADHO CCN1CC[C@@H](C[NH2+]C2CC(SC)C2)C1 ZINC000706895334 712159722 /nfs/dbraw/zinc/15/97/22/712159722.db2.gz BTEQUBHOUSJMAG-UNXYVOJBSA-N 1 3 228.405 1.812 20 0 BDADHO CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@H]2CN)C1 ZINC000708330376 712186973 /nfs/dbraw/zinc/18/69/73/712186973.db2.gz INTZXGMGFUJPKT-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO CC1(C)CO[C@@H](C[N@H+]2CCCC[C@H]2CN)C1 ZINC000708330376 712186976 /nfs/dbraw/zinc/18/69/76/712186976.db2.gz INTZXGMGFUJPKT-NWDGAFQWSA-N 1 3 226.364 1.615 20 0 BDADHO CN(CCCCCC[NH3+])Cc1cncn1C ZINC000710730510 712255176 /nfs/dbraw/zinc/25/51/76/712255176.db2.gz TXKWJTIFDCYKQR-UHFFFAOYSA-N 1 3 224.352 1.371 20 0 BDADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCC(C)(C)CO2)C1 ZINC000713584352 712466245 /nfs/dbraw/zinc/46/62/45/712466245.db2.gz DQEYHUSJULYXJT-AVGNSLFASA-N 1 3 240.391 1.861 20 0 BDADHO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000714622840 712488783 /nfs/dbraw/zinc/48/87/83/712488783.db2.gz BULVSWBRPDLIMS-DDHJBXDOSA-N 1 3 212.337 1.128 20 0 BDADHO CC[C@@H]1CN(CCCCCC[NH3+])CCO1 ZINC000036770152 712494825 /nfs/dbraw/zinc/49/48/25/712494825.db2.gz OOZNHGNDMQZWJB-GFCCVEGCSA-N 1 3 214.353 1.616 20 0 BDADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2COCC2(C)C)C1 ZINC000715540152 712526579 /nfs/dbraw/zinc/52/65/79/712526579.db2.gz DLGXKZJESMFLSC-YNEHKIRRSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CO1 ZINC000715554627 712528288 /nfs/dbraw/zinc/52/82/88/712528288.db2.gz WTKDAKNQHCFVLM-FVCCEPFGSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CO1 ZINC000715554627 712528290 /nfs/dbraw/zinc/52/82/90/712528290.db2.gz WTKDAKNQHCFVLM-FVCCEPFGSA-N 1 3 226.364 1.626 20 0 BDADHO COC[C@H](C[N@@H+]1CC[C@@H](N)C[C@H]1C)C(C)C ZINC000721915825 710690145 /nfs/dbraw/zinc/69/01/45/710690145.db2.gz VUGPUCOZTGRKBL-FRRDWIJNSA-N 1 3 228.380 1.717 20 0 BDADHO COC[C@H](C[N@H+]1CC[C@@H](N)C[C@H]1C)C(C)C ZINC000721915825 710690147 /nfs/dbraw/zinc/69/01/47/710690147.db2.gz VUGPUCOZTGRKBL-FRRDWIJNSA-N 1 3 228.380 1.717 20 0 BDADHO [NH3+][C@@H](CC(F)F)CN1CCN(C2CCC2)CC1 ZINC000393969817 711180365 /nfs/dbraw/zinc/18/03/65/711180365.db2.gz LAFXZDCCVLCWFB-JTQLQIEISA-N 1 3 247.333 1.139 20 0 BDADHO C[C@H]1[NH2+]CCC[C@H]1NCCCOCC1CC1 ZINC000396618001 711360580 /nfs/dbraw/zinc/36/05/80/711360580.db2.gz UCGHHBLZSUVKAZ-DGCLKSJQSA-N 1 3 226.364 1.533 20 0 BDADHO C(CN1CCCCC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385547810 711014078 /nfs/dbraw/zinc/01/40/78/711014078.db2.gz WFDAYFSEVOIWDX-XPABHHOTSA-N 1 3 249.402 1.058 20 0 BDADHO C[C@@H]1[NH2+]CCC[C@H]1NCC(C)(C)CCO ZINC000396698886 711366905 /nfs/dbraw/zinc/36/69/05/711366905.db2.gz MRPYEBXFHMTUOQ-WDEREUQCSA-N 1 3 214.353 1.125 20 0 BDADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723627474 711527595 /nfs/dbraw/zinc/52/75/95/711527595.db2.gz DDAMORYRZBKPML-YVECIDJPSA-N 1 3 226.364 1.376 20 0 BDADHO CC[C@H]([NH2+][C@H](C)C1CNC1)[C@H]1CCCOC1 ZINC000724013345 711556031 /nfs/dbraw/zinc/55/60/31/711556031.db2.gz QETODOALOSGDEU-MDZLAQPJSA-N 1 3 226.364 1.389 20 0 BDADHO C[N@H+](C[C@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000398879126 711740392 /nfs/dbraw/zinc/74/03/92/711740392.db2.gz GSPFETAAMVEQQJ-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO C[N@@H+](C[C@H]1CCOC1)C[C@]1(C)CCCNC1 ZINC000398879126 711740393 /nfs/dbraw/zinc/74/03/93/711740393.db2.gz GSPFETAAMVEQQJ-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CN(C[C@H]1CCOC1)C[C@]1(C)CCC[NH2+]C1 ZINC000398879126 711740394 /nfs/dbraw/zinc/74/03/94/711740394.db2.gz GSPFETAAMVEQQJ-CHWSQXEVSA-N 1 3 226.364 1.344 20 0 BDADHO CSC(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000229085136 711837491 /nfs/dbraw/zinc/83/74/91/711837491.db2.gz FCWOXVWPHBUIIZ-UWVGGRQHSA-N 1 3 216.394 1.845 20 0 BDADHO CC[C@@H]1C[N@H+](C[C@@H](COC)C(C)C)CC[C@H]1N ZINC000721913810 711918066 /nfs/dbraw/zinc/91/80/66/711918066.db2.gz QDNNNIHELPZHOJ-HZSPNIEDSA-N 1 3 242.407 1.964 20 0 BDADHO CC[C@@H]1C[N@@H+](C[C@@H](COC)C(C)C)CC[C@H]1N ZINC000721913810 711918067 /nfs/dbraw/zinc/91/80/67/711918067.db2.gz QDNNNIHELPZHOJ-HZSPNIEDSA-N 1 3 242.407 1.964 20 0 BDADHO C[NH2+]C[C@H]1CCCN(C[C@H]2C[C@@H](OC)C2)C1 ZINC000721929066 711938005 /nfs/dbraw/zinc/93/80/05/711938005.db2.gz WTLMJUDEUHDGMF-UPJWGTAASA-N 1 3 226.364 1.343 20 0 BDADHO CN1CC[C@H]([NH2+]CC2OCCCO2)CC1(C)C ZINC000922281681 711966104 /nfs/dbraw/zinc/96/61/04/711966104.db2.gz XPDMBRZLKVLZQK-NSHDSACASA-N 1 3 242.363 1.212 20 0 BDADHO CCN(C[C@H]1CCCO1)C[C@@H]1CCCC[NH2+]C1 ZINC000700383389 711991577 /nfs/dbraw/zinc/99/15/77/711991577.db2.gz IXRPVFBVGBJIOQ-ZIAGYGMSSA-N 1 3 240.391 1.877 20 0 BDADHO C[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000700405962 711991935 /nfs/dbraw/zinc/99/19/35/711991935.db2.gz UOCVIOKPQWZAEK-OLZOCXBDSA-N 1 3 226.364 1.487 20 0 BDADHO C[C@H](CC[NH2+][C@@H]1CSC[C@H]1C)N(C)C ZINC000700489733 711994281 /nfs/dbraw/zinc/99/42/81/711994281.db2.gz UAXUQIVSNMVJJA-GMTAPVOTSA-N 1 3 216.394 1.668 20 0 BDADHO CO[C@H](C)[C@@H](C)NCC[C@@H](C)[NH+](C)C ZINC000700488161 711994544 /nfs/dbraw/zinc/99/45/44/711994544.db2.gz CZHAYYLNLSLOCO-GMTAPVOTSA-N 1 3 202.342 1.340 20 0 BDADHO COCC(C)(C)C[NH2+]CC[C@H](C)N(C)C ZINC000700607529 712001296 /nfs/dbraw/zinc/00/12/96/712001296.db2.gz RNHDIBQZEKUEIR-NSHDSACASA-N 1 3 216.369 1.589 20 0 BDADHO CN1CCCC[C@@H](C[NH2+][C@H]2COCC2(C)C)C1 ZINC000700793555 712004893 /nfs/dbraw/zinc/00/48/93/712004893.db2.gz RQJOFLPLRWJURF-STQMWFEESA-N 1 3 240.391 1.733 20 0 BDADHO CN1CCCC[C@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000700819892 712007342 /nfs/dbraw/zinc/00/73/42/712007342.db2.gz VZDMRZJXJLUGKI-KGLIPLIRSA-N 1 3 240.391 1.735 20 0 BDADHO CN1CCCC[C@@H](C[NH2+]C[C@@H]2CCCOC2)C1 ZINC000700819890 712007361 /nfs/dbraw/zinc/00/73/61/712007361.db2.gz VZDMRZJXJLUGKI-KBPBESRZSA-N 1 3 240.391 1.735 20 0 BDADHO [NH3+][C@@H]1C[C@H](N[C@H]2CO[C@H](C3CC3)C2)C12CCC2 ZINC000700990876 712011119 /nfs/dbraw/zinc/01/11/19/712011119.db2.gz ISHZLJFCNCFJGX-XQHKEYJVSA-N 1 3 236.359 1.413 20 0 BDADHO COC1CC(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCN)C1 ZINC000703866786 712092100 /nfs/dbraw/zinc/09/21/00/712092100.db2.gz OTXNXOXRTOGFQK-RYSNWHEDSA-N 1 3 240.391 1.861 20 0 BDADHO COC1CC(C[N@H+]2CCC[C@@H](C)[C@@H]2CCN)C1 ZINC000703866786 712092101 /nfs/dbraw/zinc/09/21/01/712092101.db2.gz OTXNXOXRTOGFQK-RYSNWHEDSA-N 1 3 240.391 1.861 20 0 BDADHO CCC[C@H](O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705657085 712135165 /nfs/dbraw/zinc/13/51/65/712135165.db2.gz FWHBEPLSUUHNHO-BFHYXJOUSA-N 1 3 240.391 1.421 20 0 BDADHO CC[C@@H](O)CN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000705661423 712135241 /nfs/dbraw/zinc/13/52/41/712135241.db2.gz ZZAKUFFYOFMEAL-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO CC[C@@H](O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705661423 712135242 /nfs/dbraw/zinc/13/52/42/712135242.db2.gz ZZAKUFFYOFMEAL-UPJWGTAASA-N 1 3 226.364 1.031 20 0 BDADHO CCO[C@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000706469527 712146459 /nfs/dbraw/zinc/14/64/59/712146459.db2.gz PAUHYHMYADXZLY-STQMWFEESA-N 1 3 226.364 1.487 20 0 BDADHO CCOC[C@H]1CCN(CCC[NH2+]C2CC2)C1 ZINC000707599429 712176094 /nfs/dbraw/zinc/17/60/94/712176094.db2.gz RCKMJVAUPGQFPZ-LBPRGKRZSA-N 1 3 226.364 1.487 20 0 BDADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCNCC2(C)C)C1 ZINC000708697756 712197465 /nfs/dbraw/zinc/19/74/65/712197465.db2.gz VKOIIMGBMYHJSZ-GRYCIOLGSA-N 1 3 226.364 1.389 20 0 BDADHO CC1(C)C[C@H](CN2CC[C@H]([NH3+])C2)C(C)(C)O1 ZINC000709689614 712215413 /nfs/dbraw/zinc/21/54/13/712215413.db2.gz WNDXHNYZUWLRLL-MNOVXSKESA-N 1 3 226.364 1.613 20 0 BDADHO C[C@H](NCCCC[NH+](C)C)c1cn(C)cn1 ZINC000709971071 712236110 /nfs/dbraw/zinc/23/61/10/712236110.db2.gz WMOIGSHJACIKIL-NSHDSACASA-N 1 3 224.352 1.413 20 0 BDADHO [NH3+]C[C@H]1CCC[C@H]1NCCc1ccns1 ZINC000710026102 712241966 /nfs/dbraw/zinc/24/19/66/712241966.db2.gz JEXFXYVRERKHCZ-MWLCHTKSSA-N 1 3 225.361 1.403 20 0 BDADHO C[N@H+](CCCN)C[C@@H]1CC(C)(C)OC1(C)C ZINC000710275095 712250040 /nfs/dbraw/zinc/25/00/40/712250040.db2.gz AVDNGSGPQAAEJM-NSHDSACASA-N 1 3 228.380 1.861 20 0 BDADHO C[N@@H+](CCCN)C[C@@H]1CC(C)(C)OC1(C)C ZINC000710275095 712250042 /nfs/dbraw/zinc/25/00/42/712250042.db2.gz AVDNGSGPQAAEJM-NSHDSACASA-N 1 3 228.380 1.861 20 0 BDADHO CN(CCC[NH3+])C[C@@H]1CC(C)(C)OC1(C)C ZINC000710275095 712250043 /nfs/dbraw/zinc/25/00/43/712250043.db2.gz AVDNGSGPQAAEJM-NSHDSACASA-N 1 3 228.380 1.861 20 0 BDADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C12CCC2 ZINC000710727735 712255539 /nfs/dbraw/zinc/25/55/39/712255539.db2.gz OYFNWXMBSCAGOF-WYUUTHIRSA-N 1 3 224.348 1.149 20 0 BDADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](CF)C1 ZINC000711454815 712303848 /nfs/dbraw/zinc/30/38/48/712303848.db2.gz NJRQTCAVEXUZRC-WOPDTQHZSA-N 1 3 214.328 1.523 20 0 BDADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@H](CF)C1 ZINC000711458845 712304812 /nfs/dbraw/zinc/30/48/12/712304812.db2.gz YZDSOALUVWZOMZ-GHMZBOCLSA-N 1 3 202.317 1.651 20 0 BDADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@H](CF)C1 ZINC000711458845 712304813 /nfs/dbraw/zinc/30/48/13/712304813.db2.gz YZDSOALUVWZOMZ-GHMZBOCLSA-N 1 3 202.317 1.651 20 0 BDADHO CC1(C)CC[C@H](CN2CC[C@H](C[NH3+])C2)OC1 ZINC000713592949 712466278 /nfs/dbraw/zinc/46/62/78/712466278.db2.gz OQDOYIKBVWPZAQ-VXGBXAGGSA-N 1 3 226.364 1.472 20 0 BDADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[C@H]1C1CC1 ZINC000714845490 712502051 /nfs/dbraw/zinc/50/20/51/712502051.db2.gz IFAQCISDUFCEKY-MQYQWHSLSA-N 1 3 220.360 1.574 20 0 BDADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2COCC2(C)C)C1 ZINC000715540152 712526576 /nfs/dbraw/zinc/52/65/76/712526576.db2.gz DLGXKZJESMFLSC-YNEHKIRRSA-N 1 3 240.391 1.874 20 0 BDADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CO1 ZINC000715554631 712528375 /nfs/dbraw/zinc/52/83/75/712528375.db2.gz WTKDAKNQHCFVLM-NDBYEHHHSA-N 1 3 226.364 1.626 20 0 BDADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CO1 ZINC000715554631 712528377 /nfs/dbraw/zinc/52/83/77/712528377.db2.gz WTKDAKNQHCFVLM-NDBYEHHHSA-N 1 3 226.364 1.626 20 0 BDADHO [NH3+]C[C@H]1CCN(C[C@H]2CCC3(CCC3)CO2)C1 ZINC000716295171 712553700 /nfs/dbraw/zinc/55/37/00/712553700.db2.gz RAQYSWSGQQRRSG-CHWSQXEVSA-N 1 3 238.375 1.616 20 0 BDADHO C[C@H](NC[C@H]1CCC2(CCC2)CO1)C1C[NH2+]C1 ZINC000716592639 712564438 /nfs/dbraw/zinc/56/44/38/712564438.db2.gz FNIABWZEWHMLMS-WCQYABFASA-N 1 3 238.375 1.533 20 0 BDADHO CN(C[C@]1(C)CCC[NH2+]C1)[C@H]1CCSC1 ZINC000250816189 712834952 /nfs/dbraw/zinc/83/49/52/712834952.db2.gz XGDQNLPBMSUFRR-NWDGAFQWSA-N 1 3 228.405 1.813 20 0 BDADHO NC[C@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788246 712865191 /nfs/dbraw/zinc/86/51/91/712865191.db2.gz IUZIJSBIPIDZJG-QNWHQSFQSA-N 1 3 224.348 1.367 20 0 BDADHO NC[C@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788246 712865193 /nfs/dbraw/zinc/86/51/93/712865193.db2.gz IUZIJSBIPIDZJG-QNWHQSFQSA-N 1 3 224.348 1.367 20 0 BDADHO C[C@H]1C[C@H](O)CC[N@@H+]1CCCN1CCCCC1 ZINC000705393640 957199303 /nfs/dbraw/zinc/19/93/03/957199303.db2.gz KTPCIJGBPHZVSH-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H]1C[C@H](O)CC[N@H+]1CCCN1CCCCC1 ZINC000705393640 957199310 /nfs/dbraw/zinc/19/93/10/957199310.db2.gz KTPCIJGBPHZVSH-UONOGXRCSA-N 1 3 240.391 1.708 20 0 BDADHO C[C@H](C[N@H+]1C[C@H]2CN(C)C[C@H]2C1)C(F)(F)F ZINC001208905304 957239388 /nfs/dbraw/zinc/23/93/88/957239388.db2.gz MZTHCBCUQOWNQB-BBBLOLIVSA-N 1 3 236.281 1.678 20 0 BDADHO C[C@H](C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1)C(F)(F)F ZINC001208905304 957239403 /nfs/dbraw/zinc/23/94/03/957239403.db2.gz MZTHCBCUQOWNQB-BBBLOLIVSA-N 1 3 236.281 1.678 20 0 BDADHO C[C@H]1C[C@H](N2CCOC[C@@H](C)C2)CC[NH2+]1 ZINC000399033032 958491083 /nfs/dbraw/zinc/49/10/83/958491083.db2.gz MUZGLSWZSPBXGG-SDDRHHMPSA-N 1 3 212.337 1.095 20 0 BDADHO [NH3+]C[C@H]1CN(C[C@@H]2CCCOC2)CCC1(F)F ZINC000708501088 959528158 /nfs/dbraw/zinc/52/81/58/959528158.db2.gz AWODCCGLOKSNFO-QWRGUYRKSA-N 1 3 248.317 1.329 20 0 BDADHO C1C[C@H]2CC(N[C@@H]3CCCOC3)C[C@@H]1[NH2+]2 ZINC000709404298 960577930 /nfs/dbraw/zinc/57/79/30/960577930.db2.gz IWFAMCYAOMLMIL-FBTJUVTCSA-N 1 3 210.321 1.038 20 0 BDADHO